data_11242
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11242
_Entry.Title
;
Solution structure of the first SH3 domain of human vinexin
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-07-23
_Entry.Accession_date 2010-07-23
_Entry.Last_release_date 2011-08-03
_Entry.Original_release_date 2011-08-03
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.14
_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 H. Zhang . . . 11242
2 K. Izumi . . . 11242
3 M. Yoshida . . . 11242
4 F. Hayashi . . . 11242
5 S. Yokoyama . . . 11242
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
. 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11242
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 11242
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 277 11242
'15N chemical shifts' 61 11242
'1H chemical shifts' 435 11242
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2011-08-03 2010-07-23 original author . 11242
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2DLM 'BMRB Entry Tracking System' 11242
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 11242
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'Solution structure of the first SH3 domain of human vinexin'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev .
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 H. Zhang . . . 11242 1
2 K. Izumi . . . 11242 1
3 M. Yoshida . . . 11242 1
4 F. Hayashi . . . 11242 1
5 S. Yokoyama . . . 11242 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 11242
_Assembly.ID 1
_Assembly.Name Vinexin
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_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 Vinexin 1 $entity_1 A . yes native no no . . . 11242 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
yes PDB 2dlm . . . . . . 11242 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 11242
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'SH3 domain, residues 8-62'
_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
;
GSSGSSGKAARLKFDFQAQS
PKELTLQKGDIVYIHKEVDK
NWLEGEHHGRLGIFPANYVE
VLSGPSSG
;
_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 68
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 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 BMRB 15129 . Vinexin . . . . . 80.88 65 100.00 100.00 4.24e-32 . . . . 11242 1
no PDB 2DLM . "Solution Structure Of The First Sh3 Domain Of Human Vinexin" . . . . . 100.00 68 100.00 100.00 4.50e-41 . . . . 11242 1
no PDB 2NWM . "Solution Structure Of The First Sh3 Domain Of Human Vinexin And Its Interaction With The Peptides From Vinculin" . . . . . 80.88 65 100.00 100.00 4.24e-32 . . . . 11242 1
no REF XP_004332006 . "PREDICTED: vinexin-like, partial [Tursiops truncatus]" . . . . . 77.94 93 98.11 100.00 2.91e-30 . . . . 11242 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'SH3 domain, residues 8-62' . 11242 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 . 11242 1
2 . SER . 11242 1
3 . SER . 11242 1
4 . GLY . 11242 1
5 . SER . 11242 1
6 . SER . 11242 1
7 . GLY . 11242 1
8 . LYS . 11242 1
9 . ALA . 11242 1
10 . ALA . 11242 1
11 . ARG . 11242 1
12 . LEU . 11242 1
13 . LYS . 11242 1
14 . PHE . 11242 1
15 . ASP . 11242 1
16 . PHE . 11242 1
17 . GLN . 11242 1
18 . ALA . 11242 1
19 . GLN . 11242 1
20 . SER . 11242 1
21 . PRO . 11242 1
22 . LYS . 11242 1
23 . GLU . 11242 1
24 . LEU . 11242 1
25 . THR . 11242 1
26 . LEU . 11242 1
27 . GLN . 11242 1
28 . LYS . 11242 1
29 . GLY . 11242 1
30 . ASP . 11242 1
31 . ILE . 11242 1
32 . VAL . 11242 1
33 . TYR . 11242 1
34 . ILE . 11242 1
35 . HIS . 11242 1
36 . LYS . 11242 1
37 . GLU . 11242 1
38 . VAL . 11242 1
39 . ASP . 11242 1
40 . LYS . 11242 1
41 . ASN . 11242 1
42 . TRP . 11242 1
43 . LEU . 11242 1
44 . GLU . 11242 1
45 . GLY . 11242 1
46 . GLU . 11242 1
47 . HIS . 11242 1
48 . HIS . 11242 1
49 . GLY . 11242 1
50 . ARG . 11242 1
51 . LEU . 11242 1
52 . GLY . 11242 1
53 . ILE . 11242 1
54 . PHE . 11242 1
55 . PRO . 11242 1
56 . ALA . 11242 1
57 . ASN . 11242 1
58 . TYR . 11242 1
59 . VAL . 11242 1
60 . GLU . 11242 1
61 . VAL . 11242 1
62 . LEU . 11242 1
63 . SER . 11242 1
64 . GLY . 11242 1
65 . PRO . 11242 1
66 . SER . 11242 1
67 . SER . 11242 1
68 . GLY . 11242 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 11242 1
. SER 2 2 11242 1
. SER 3 3 11242 1
. GLY 4 4 11242 1
. SER 5 5 11242 1
. SER 6 6 11242 1
. GLY 7 7 11242 1
. LYS 8 8 11242 1
. ALA 9 9 11242 1
. ALA 10 10 11242 1
. ARG 11 11 11242 1
. LEU 12 12 11242 1
. LYS 13 13 11242 1
. PHE 14 14 11242 1
. ASP 15 15 11242 1
. PHE 16 16 11242 1
. GLN 17 17 11242 1
. ALA 18 18 11242 1
. GLN 19 19 11242 1
. SER 20 20 11242 1
. PRO 21 21 11242 1
. LYS 22 22 11242 1
. GLU 23 23 11242 1
. LEU 24 24 11242 1
. THR 25 25 11242 1
. LEU 26 26 11242 1
. GLN 27 27 11242 1
. LYS 28 28 11242 1
. GLY 29 29 11242 1
. ASP 30 30 11242 1
. ILE 31 31 11242 1
. VAL 32 32 11242 1
. TYR 33 33 11242 1
. ILE 34 34 11242 1
. HIS 35 35 11242 1
. LYS 36 36 11242 1
. GLU 37 37 11242 1
. VAL 38 38 11242 1
. ASP 39 39 11242 1
. LYS 40 40 11242 1
. ASN 41 41 11242 1
. TRP 42 42 11242 1
. LEU 43 43 11242 1
. GLU 44 44 11242 1
. GLY 45 45 11242 1
. GLU 46 46 11242 1
. HIS 47 47 11242 1
. HIS 48 48 11242 1
. GLY 49 49 11242 1
. ARG 50 50 11242 1
. LEU 51 51 11242 1
. GLY 52 52 11242 1
. ILE 53 53 11242 1
. PHE 54 54 11242 1
. PRO 55 55 11242 1
. ALA 56 56 11242 1
. ASN 57 57 11242 1
. TYR 58 58 11242 1
. VAL 59 59 11242 1
. GLU 60 60 11242 1
. VAL 61 61 11242 1
. LEU 62 62 11242 1
. SER 63 63 11242 1
. GLY 64 64 11242 1
. PRO 65 65 11242 1
. SER 66 66 11242 1
. SER 67 67 11242 1
. GLY 68 68 11242 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 11242
_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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11242 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 11242
_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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050516-12 . . . . . . 11242 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 11242
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
0.89mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O
;
_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 domain, residues 8-62' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.89 . . mM . . . . 11242 1
2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11242 1
3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11242 1
4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11242 1
5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11242 1
6 H2O . . . . . . solvent 90 . . % . . . . 11242 1
7 D2O . . . . . . solvent 10 . . % . . . . 11242 1
stop_
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode condition_1
_Sample_condition_list.Entry_ID 11242
_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' 120 0.1 mM 11242 1
pH 7.0 0.05 pH 11242 1
pressure 1 0.001 atm 11242 1
temperature 298 0.1 K 11242 1
stop_
save_
############################
# Computer software used #
############################
save_Delta_NMR
_Software.Sf_category software
_Software.Sf_framecode Delta_NMR
_Software.Entry_ID 11242
_Software.ID 1
_Software.Name Delta
_Software.Version 4.3.2
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
JEOL . . 11242 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 11242 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 11242
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 20031121
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, F.' . . 11242 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 11242 2
stop_
save_
save_NMRview
_Software.Sf_category software
_Software.Sf_framecode NMRview
_Software.Entry_ID 11242
_Software.ID 3
_Software.Name NMRView
_Software.Version 5.04
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Johnson, B.A.' . . 11242 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11242 3
stop_
save_
save_Kujira
_Software.Sf_category software
_Software.Sf_framecode Kujira
_Software.Entry_ID 11242
_Software.ID 4
_Software.Name Kujira
_Software.Version 0.93191
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Kobayashi, N.' . . 11242 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11242 4
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 11242
_Software.ID 5
_Software.Name CYANA
_Software.Version 2.0.17
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntent, P.' . . 11242 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 11242 5
'structure solution' 11242 5
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 11242
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer JEOL
_NMR_spectrometer.Model ECA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
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 11242
_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 JEOL ECA . 700 . . . 11242 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 11242
_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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11242 1
2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11242 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode reference_1
_Chem_shift_reference.Entry_ID 11242
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
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 0.0 . indirect 0.251449530 . . . . . . . . . 11242 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11242 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11242 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_chemical_shift_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_1
_Assigned_chem_shift_list.Entry_ID 11242
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11242 1
2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11242 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $Delta_NMR . . 11242 1
2 $NMRPipe . . 11242 1
3 $NMRview . . 11242 1
4 $Kujira . . 11242 1
5 $CYANA . . 11242 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 7 7 GLY H H 1 8.364 0.030 . 1 . . . . 7 GLY H . 11242 1
2 . 1 1 7 7 GLY HA2 H 1 3.879 0.030 . 1 . . . . 7 GLY HA2 . 11242 1
3 . 1 1 7 7 GLY HA3 H 1 3.879 0.030 . 1 . . . . 7 GLY HA3 . 11242 1
4 . 1 1 7 7 GLY CA C 13 42.731 0.300 . 1 . . . . 7 GLY CA . 11242 1
5 . 1 1 7 7 GLY N N 15 110.626 0.300 . 1 . . . . 7 GLY N . 11242 1
6 . 1 1 8 8 LYS HA H 1 4.530 0.030 . 1 . . . . 8 LYS HA . 11242 1
7 . 1 1 8 8 LYS HB2 H 1 1.718 0.030 . 2 . . . . 8 LYS HB2 . 11242 1
8 . 1 1 8 8 LYS HB3 H 1 1.869 0.030 . 2 . . . . 8 LYS HB3 . 11242 1
9 . 1 1 8 8 LYS HD2 H 1 1.546 0.030 . 2 . . . . 8 LYS HD2 . 11242 1
10 . 1 1 8 8 LYS HD3 H 1 1.610 0.030 . 2 . . . . 8 LYS HD3 . 11242 1
11 . 1 1 8 8 LYS HE2 H 1 2.900 0.030 . 1 . . . . 8 LYS HE2 . 11242 1
12 . 1 1 8 8 LYS HE3 H 1 2.900 0.030 . 1 . . . . 8 LYS HE3 . 11242 1
13 . 1 1 8 8 LYS HG2 H 1 1.338 0.030 . 2 . . . . 8 LYS HG2 . 11242 1
14 . 1 1 8 8 LYS HG3 H 1 1.278 0.030 . 2 . . . . 8 LYS HG3 . 11242 1
15 . 1 1 8 8 LYS CA C 13 52.699 0.300 . 1 . . . . 8 LYS CA . 11242 1
16 . 1 1 8 8 LYS CB C 13 31.713 0.300 . 1 . . . . 8 LYS CB . 11242 1
17 . 1 1 8 8 LYS CD C 13 26.656 0.300 . 1 . . . . 8 LYS CD . 11242 1
18 . 1 1 8 8 LYS CE C 13 39.778 0.300 . 1 . . . . 8 LYS CE . 11242 1
19 . 1 1 8 8 LYS CG C 13 22.349 0.300 . 1 . . . . 8 LYS CG . 11242 1
20 . 1 1 9 9 ALA H H 1 8.456 0.030 . 1 . . . . 9 ALA H . 11242 1
21 . 1 1 9 9 ALA HA H 1 4.715 0.030 . 1 . . . . 9 ALA HA . 11242 1
22 . 1 1 9 9 ALA HB1 H 1 1.201 0.030 . 1 . . . . 9 ALA HB . 11242 1
23 . 1 1 9 9 ALA HB2 H 1 1.201 0.030 . 1 . . . . 9 ALA HB . 11242 1
24 . 1 1 9 9 ALA HB3 H 1 1.201 0.030 . 1 . . . . 9 ALA HB . 11242 1
25 . 1 1 9 9 ALA CA C 13 48.715 0.300 . 1 . . . . 9 ALA CA . 11242 1
26 . 1 1 9 9 ALA CB C 13 17.930 0.300 . 1 . . . . 9 ALA CB . 11242 1
27 . 1 1 9 9 ALA N N 15 125.418 0.300 . 1 . . . . 9 ALA N . 11242 1
28 . 1 1 10 10 ALA H H 1 8.877 0.030 . 1 . . . . 10 ALA H . 11242 1
29 . 1 1 10 10 ALA HA H 1 4.842 0.030 . 1 . . . . 10 ALA HA . 11242 1
30 . 1 1 10 10 ALA HB1 H 1 0.972 0.030 . 1 . . . . 10 ALA HB . 11242 1
31 . 1 1 10 10 ALA HB2 H 1 0.972 0.030 . 1 . . . . 10 ALA HB . 11242 1
32 . 1 1 10 10 ALA HB3 H 1 0.972 0.030 . 1 . . . . 10 ALA HB . 11242 1
33 . 1 1 10 10 ALA C C 13 170.889 0.300 . 1 . . . . 10 ALA C . 11242 1
34 . 1 1 10 10 ALA CA C 13 48.018 0.300 . 1 . . . . 10 ALA CA . 11242 1
35 . 1 1 10 10 ALA CB C 13 20.555 0.300 . 1 . . . . 10 ALA CB . 11242 1
36 . 1 1 10 10 ALA N N 15 121.973 0.300 . 1 . . . . 10 ALA N . 11242 1
37 . 1 1 11 11 ARG H H 1 8.615 0.030 . 1 . . . . 11 ARG H . 11242 1
38 . 1 1 11 11 ARG HA H 1 5.218 0.030 . 1 . . . . 11 ARG HA . 11242 1
39 . 1 1 11 11 ARG HB2 H 1 1.366 0.030 . 2 . . . . 11 ARG HB2 . 11242 1
40 . 1 1 11 11 ARG HB3 H 1 1.615 0.030 . 2 . . . . 11 ARG HB3 . 11242 1
41 . 1 1 11 11 ARG HD2 H 1 3.065 0.030 . 1 . . . . 11 ARG HD2 . 11242 1
42 . 1 1 11 11 ARG HD3 H 1 3.065 0.030 . 1 . . . . 11 ARG HD3 . 11242 1
43 . 1 1 11 11 ARG HG2 H 1 1.298 0.030 . 1 . . . . 11 ARG HG2 . 11242 1
44 . 1 1 11 11 ARG HG3 H 1 1.298 0.030 . 1 . . . . 11 ARG HG3 . 11242 1
45 . 1 1 11 11 ARG C C 13 173.717 0.300 . 1 . . . . 11 ARG C . 11242 1
46 . 1 1 11 11 ARG CA C 13 50.734 0.300 . 1 . . . . 11 ARG CA . 11242 1
47 . 1 1 11 11 ARG CB C 13 31.544 0.300 . 1 . . . . 11 ARG CB . 11242 1
48 . 1 1 11 11 ARG CD C 13 40.802 0.300 . 1 . . . . 11 ARG CD . 11242 1
49 . 1 1 11 11 ARG CG C 13 24.690 0.300 . 1 . . . . 11 ARG CG . 11242 1
50 . 1 1 11 11 ARG N N 15 120.035 0.300 . 1 . . . . 11 ARG N . 11242 1
51 . 1 1 12 12 LEU H H 1 8.760 0.030 . 1 . . . . 12 LEU H . 11242 1
52 . 1 1 12 12 LEU HA H 1 4.292 0.030 . 1 . . . . 12 LEU HA . 11242 1
53 . 1 1 12 12 LEU HB2 H 1 1.689 0.030 . 2 . . . . 12 LEU HB2 . 11242 1
54 . 1 1 12 12 LEU HB3 H 1 2.043 0.030 . 2 . . . . 12 LEU HB3 . 11242 1
55 . 1 1 12 12 LEU HD11 H 1 0.353 0.030 . 1 . . . . 12 LEU HD1 . 11242 1
56 . 1 1 12 12 LEU HD12 H 1 0.353 0.030 . 1 . . . . 12 LEU HD1 . 11242 1
57 . 1 1 12 12 LEU HD13 H 1 0.353 0.030 . 1 . . . . 12 LEU HD1 . 11242 1
58 . 1 1 12 12 LEU HD21 H 1 0.889 0.030 . 1 . . . . 12 LEU HD2 . 11242 1
59 . 1 1 12 12 LEU HD22 H 1 0.889 0.030 . 1 . . . . 12 LEU HD2 . 11242 1
60 . 1 1 12 12 LEU HD23 H 1 0.889 0.030 . 1 . . . . 12 LEU HD2 . 11242 1
61 . 1 1 12 12 LEU HG H 1 1.746 0.030 . 1 . . . . 12 LEU HG . 11242 1
62 . 1 1 12 12 LEU C C 13 176.525 0.300 . 1 . . . . 12 LEU C . 11242 1
63 . 1 1 12 12 LEU CA C 13 50.310 0.300 . 1 . . . . 12 LEU CA . 11242 1
64 . 1 1 12 12 LEU CB C 13 37.293 0.300 . 1 . . . . 12 LEU CB . 11242 1
65 . 1 1 12 12 LEU CD1 C 13 19.897 0.300 . 2 . . . . 12 LEU CD1 . 11242 1
66 . 1 1 12 12 LEU CD2 C 13 19.801 0.300 . 2 . . . . 12 LEU CD2 . 11242 1
67 . 1 1 12 12 LEU CG C 13 25.710 0.300 . 1 . . . . 12 LEU CG . 11242 1
68 . 1 1 12 12 LEU N N 15 130.115 0.300 . 1 . . . . 12 LEU N . 11242 1
69 . 1 1 13 13 LYS H H 1 9.218 0.030 . 1 . . . . 13 LYS H . 11242 1
70 . 1 1 13 13 LYS HA H 1 3.634 0.030 . 1 . . . . 13 LYS HA . 11242 1
71 . 1 1 13 13 LYS HB2 H 1 0.545 0.030 . 2 . . . . 13 LYS HB2 . 11242 1
72 . 1 1 13 13 LYS HB3 H 1 0.715 0.030 . 2 . . . . 13 LYS HB3 . 11242 1
73 . 1 1 13 13 LYS HD2 H 1 1.281 0.030 . 2 . . . . 13 LYS HD2 . 11242 1
74 . 1 1 13 13 LYS HD3 H 1 1.235 0.030 . 2 . . . . 13 LYS HD3 . 11242 1
75 . 1 1 13 13 LYS HE2 H 1 2.502 0.030 . 2 . . . . 13 LYS HE2 . 11242 1
76 . 1 1 13 13 LYS HE3 H 1 2.560 0.030 . 2 . . . . 13 LYS HE3 . 11242 1
77 . 1 1 13 13 LYS HG2 H 1 0.920 0.030 . 2 . . . . 13 LYS HG2 . 11242 1
78 . 1 1 13 13 LYS HG3 H 1 0.983 0.030 . 2 . . . . 13 LYS HG3 . 11242 1
79 . 1 1 13 13 LYS C C 13 171.704 0.300 . 1 . . . . 13 LYS C . 11242 1
80 . 1 1 13 13 LYS CA C 13 54.791 0.300 . 1 . . . . 13 LYS CA . 11242 1
81 . 1 1 13 13 LYS CB C 13 30.504 0.300 . 1 . . . . 13 LYS CB . 11242 1
82 . 1 1 13 13 LYS CD C 13 26.576 0.300 . 1 . . . . 13 LYS CD . 11242 1
83 . 1 1 13 13 LYS CE C 13 38.902 0.300 . 1 . . . . 13 LYS CE . 11242 1
84 . 1 1 13 13 LYS CG C 13 22.495 0.300 . 1 . . . . 13 LYS CG . 11242 1
85 . 1 1 13 13 LYS N N 15 123.837 0.300 . 1 . . . . 13 LYS N . 11242 1
86 . 1 1 14 14 PHE H H 1 6.793 0.030 . 1 . . . . 14 PHE H . 11242 1
87 . 1 1 14 14 PHE HA H 1 4.719 0.030 . 1 . . . . 14 PHE HA . 11242 1
88 . 1 1 14 14 PHE HB2 H 1 2.194 0.030 . 2 . . . . 14 PHE HB2 . 11242 1
89 . 1 1 14 14 PHE HB3 H 1 3.188 0.030 . 2 . . . . 14 PHE HB3 . 11242 1
90 . 1 1 14 14 PHE HD1 H 1 6.519 0.030 . 1 . . . . 14 PHE HD1 . 11242 1
91 . 1 1 14 14 PHE HD2 H 1 6.519 0.030 . 1 . . . . 14 PHE HD2 . 11242 1
92 . 1 1 14 14 PHE HE1 H 1 6.985 0.030 . 1 . . . . 14 PHE HE1 . 11242 1
93 . 1 1 14 14 PHE HE2 H 1 6.985 0.030 . 1 . . . . 14 PHE HE2 . 11242 1
94 . 1 1 14 14 PHE HZ H 1 7.050 0.030 . 1 . . . . 14 PHE HZ . 11242 1
95 . 1 1 14 14 PHE C C 13 170.817 0.300 . 1 . . . . 14 PHE C . 11242 1
96 . 1 1 14 14 PHE CA C 13 50.758 0.300 . 1 . . . . 14 PHE CA . 11242 1
97 . 1 1 14 14 PHE CB C 13 40.732 0.300 . 1 . . . . 14 PHE CB . 11242 1
98 . 1 1 14 14 PHE CD1 C 13 130.033 0.300 . 1 . . . . 14 PHE CD1 . 11242 1
99 . 1 1 14 14 PHE CD2 C 13 130.033 0.300 . 1 . . . . 14 PHE CD2 . 11242 1
100 . 1 1 14 14 PHE CE1 C 13 127.910 0.300 . 1 . . . . 14 PHE CE1 . 11242 1
101 . 1 1 14 14 PHE CE2 C 13 127.910 0.300 . 1 . . . . 14 PHE CE2 . 11242 1
102 . 1 1 14 14 PHE CZ C 13 126.833 0.300 . 1 . . . . 14 PHE CZ . 11242 1
103 . 1 1 14 14 PHE N N 15 111.439 0.300 . 1 . . . . 14 PHE N . 11242 1
104 . 1 1 15 15 ASP H H 1 8.236 0.030 . 1 . . . . 15 ASP H . 11242 1
105 . 1 1 15 15 ASP HA H 1 4.483 0.030 . 1 . . . . 15 ASP HA . 11242 1
106 . 1 1 15 15 ASP HB2 H 1 2.777 0.030 . 2 . . . . 15 ASP HB2 . 11242 1
107 . 1 1 15 15 ASP HB3 H 1 2.519 0.030 . 2 . . . . 15 ASP HB3 . 11242 1
108 . 1 1 15 15 ASP C C 13 173.126 0.300 . 1 . . . . 15 ASP C . 11242 1
109 . 1 1 15 15 ASP CA C 13 52.298 0.300 . 1 . . . . 15 ASP CA . 11242 1
110 . 1 1 15 15 ASP CB C 13 38.884 0.300 . 1 . . . . 15 ASP CB . 11242 1
111 . 1 1 15 15 ASP N N 15 117.472 0.300 . 1 . . . . 15 ASP N . 11242 1
112 . 1 1 16 16 PHE H H 1 8.862 0.030 . 1 . . . . 16 PHE H . 11242 1
113 . 1 1 16 16 PHE HA H 1 4.920 0.030 . 1 . . . . 16 PHE HA . 11242 1
114 . 1 1 16 16 PHE HB2 H 1 3.077 0.030 . 2 . . . . 16 PHE HB2 . 11242 1
115 . 1 1 16 16 PHE HB3 H 1 2.684 0.030 . 2 . . . . 16 PHE HB3 . 11242 1
116 . 1 1 16 16 PHE HD1 H 1 7.324 0.030 . 1 . . . . 16 PHE HD1 . 11242 1
117 . 1 1 16 16 PHE HD2 H 1 7.324 0.030 . 1 . . . . 16 PHE HD2 . 11242 1
118 . 1 1 16 16 PHE HE1 H 1 7.436 0.030 . 1 . . . . 16 PHE HE1 . 11242 1
119 . 1 1 16 16 PHE HE2 H 1 7.436 0.030 . 1 . . . . 16 PHE HE2 . 11242 1
120 . 1 1 16 16 PHE HZ H 1 7.573 0.030 . 1 . . . . 16 PHE HZ . 11242 1
121 . 1 1 16 16 PHE C C 13 169.749 0.300 . 1 . . . . 16 PHE C . 11242 1
122 . 1 1 16 16 PHE CA C 13 54.914 0.300 . 1 . . . . 16 PHE CA . 11242 1
123 . 1 1 16 16 PHE CB C 13 40.026 0.300 . 1 . . . . 16 PHE CB . 11242 1
124 . 1 1 16 16 PHE CD1 C 13 130.054 0.300 . 1 . . . . 16 PHE CD1 . 11242 1
125 . 1 1 16 16 PHE CD2 C 13 130.054 0.300 . 1 . . . . 16 PHE CD2 . 11242 1
126 . 1 1 16 16 PHE CE1 C 13 129.118 0.300 . 1 . . . . 16 PHE CE1 . 11242 1
127 . 1 1 16 16 PHE CE2 C 13 129.118 0.300 . 1 . . . . 16 PHE CE2 . 11242 1
128 . 1 1 16 16 PHE CZ C 13 127.566 0.300 . 1 . . . . 16 PHE CZ . 11242 1
129 . 1 1 16 16 PHE N N 15 121.339 0.300 . 1 . . . . 16 PHE N . 11242 1
130 . 1 1 17 17 GLN H H 1 7.861 0.030 . 1 . . . . 17 GLN H . 11242 1
131 . 1 1 17 17 GLN HA H 1 4.205 0.030 . 1 . . . . 17 GLN HA . 11242 1
132 . 1 1 17 17 GLN HB2 H 1 1.744 0.030 . 2 . . . . 17 GLN HB2 . 11242 1
133 . 1 1 17 17 GLN HB3 H 1 1.699 0.030 . 2 . . . . 17 GLN HB3 . 11242 1
134 . 1 1 17 17 GLN HE21 H 1 7.492 0.030 . 2 . . . . 17 GLN HE21 . 11242 1
135 . 1 1 17 17 GLN HE22 H 1 6.701 0.030 . 2 . . . . 17 GLN HE22 . 11242 1
136 . 1 1 17 17 GLN HG2 H 1 2.136 0.030 . 2 . . . . 17 GLN HG2 . 11242 1
137 . 1 1 17 17 GLN HG3 H 1 2.072 0.030 . 2 . . . . 17 GLN HG3 . 11242 1
138 . 1 1 17 17 GLN C C 13 170.988 0.300 . 1 . . . . 17 GLN C . 11242 1
139 . 1 1 17 17 GLN CA C 13 51.128 0.300 . 1 . . . . 17 GLN CA . 11242 1
140 . 1 1 17 17 GLN CB C 13 26.666 0.300 . 1 . . . . 17 GLN CB . 11242 1
141 . 1 1 17 17 GLN CG C 13 30.820 0.300 . 1 . . . . 17 GLN CG . 11242 1
142 . 1 1 17 17 GLN N N 15 127.372 0.300 . 1 . . . . 17 GLN N . 11242 1
143 . 1 1 17 17 GLN NE2 N 15 112.804 0.300 . 1 . . . . 17 GLN NE2 . 11242 1
144 . 1 1 18 18 ALA H H 1 7.702 0.030 . 1 . . . . 18 ALA H . 11242 1
145 . 1 1 18 18 ALA HA H 1 3.930 0.030 . 1 . . . . 18 ALA HA . 11242 1
146 . 1 1 18 18 ALA HB1 H 1 1.197 0.030 . 1 . . . . 18 ALA HB . 11242 1
147 . 1 1 18 18 ALA HB2 H 1 1.197 0.030 . 1 . . . . 18 ALA HB . 11242 1
148 . 1 1 18 18 ALA HB3 H 1 1.197 0.030 . 1 . . . . 18 ALA HB . 11242 1
149 . 1 1 18 18 ALA C C 13 176.514 0.300 . 1 . . . . 18 ALA C . 11242 1
150 . 1 1 18 18 ALA CA C 13 50.443 0.300 . 1 . . . . 18 ALA CA . 11242 1
151 . 1 1 18 18 ALA CB C 13 18.961 0.300 . 1 . . . . 18 ALA CB . 11242 1
152 . 1 1 18 18 ALA N N 15 127.991 0.300 . 1 . . . . 18 ALA N . 11242 1
153 . 1 1 19 19 GLN H H 1 9.244 0.030 . 1 . . . . 19 GLN H . 11242 1
154 . 1 1 19 19 GLN HA H 1 4.343 0.030 . 1 . . . . 19 GLN HA . 11242 1
155 . 1 1 19 19 GLN HB2 H 1 2.025 0.030 . 2 . . . . 19 GLN HB2 . 11242 1
156 . 1 1 19 19 GLN HB3 H 1 2.225 0.030 . 2 . . . . 19 GLN HB3 . 11242 1
157 . 1 1 19 19 GLN HE21 H 1 7.416 0.030 . 2 . . . . 19 GLN HE21 . 11242 1
158 . 1 1 19 19 GLN HE22 H 1 6.716 0.030 . 2 . . . . 19 GLN HE22 . 11242 1
159 . 1 1 19 19 GLN HG2 H 1 2.378 0.030 . 2 . . . . 19 GLN HG2 . 11242 1
160 . 1 1 19 19 GLN HG3 H 1 2.240 0.030 . 2 . . . . 19 GLN HG3 . 11242 1
161 . 1 1 19 19 GLN C C 13 172.470 0.300 . 1 . . . . 19 GLN C . 11242 1
162 . 1 1 19 19 GLN CA C 13 52.390 0.300 . 1 . . . . 19 GLN CA . 11242 1
163 . 1 1 19 19 GLN CB C 13 27.728 0.300 . 1 . . . . 19 GLN CB . 11242 1
164 . 1 1 19 19 GLN CG C 13 31.460 0.300 . 1 . . . . 19 GLN CG . 11242 1
165 . 1 1 19 19 GLN N N 15 119.638 0.300 . 1 . . . . 19 GLN N . 11242 1
166 . 1 1 19 19 GLN NE2 N 15 112.743 0.300 . 1 . . . . 19 GLN NE2 . 11242 1
167 . 1 1 20 20 SER H H 1 7.525 0.030 . 1 . . . . 20 SER H . 11242 1
168 . 1 1 20 20 SER HA H 1 4.818 0.030 . 1 . . . . 20 SER HA . 11242 1
169 . 1 1 20 20 SER HB2 H 1 3.611 0.030 . 2 . . . . 20 SER HB2 . 11242 1
170 . 1 1 20 20 SER HB3 H 1 3.958 0.030 . 2 . . . . 20 SER HB3 . 11242 1
171 . 1 1 20 20 SER C C 13 171.069 0.300 . 1 . . . . 20 SER C . 11242 1
172 . 1 1 20 20 SER CA C 13 53.689 0.300 . 1 . . . . 20 SER CA . 11242 1
173 . 1 1 20 20 SER CB C 13 61.808 0.300 . 1 . . . . 20 SER CB . 11242 1
174 . 1 1 20 20 SER N N 15 115.770 0.300 . 1 . . . . 20 SER N . 11242 1
175 . 1 1 21 21 PRO HA H 1 4.409 0.030 . 1 . . . . 21 PRO HA . 11242 1
176 . 1 1 21 21 PRO HB2 H 1 1.854 0.030 . 2 . . . . 21 PRO HB2 . 11242 1
177 . 1 1 21 21 PRO HB3 H 1 2.359 0.030 . 2 . . . . 21 PRO HB3 . 11242 1
178 . 1 1 21 21 PRO HD2 H 1 3.697 0.030 . 2 . . . . 21 PRO HD2 . 11242 1
179 . 1 1 21 21 PRO HD3 H 1 3.775 0.030 . 2 . . . . 21 PRO HD3 . 11242 1
180 . 1 1 21 21 PRO HG2 H 1 1.973 0.030 . 2 . . . . 21 PRO HG2 . 11242 1
181 . 1 1 21 21 PRO HG3 H 1 1.903 0.030 . 2 . . . . 21 PRO HG3 . 11242 1
182 . 1 1 21 21 PRO C C 13 174.303 0.300 . 1 . . . . 21 PRO C . 11242 1
183 . 1 1 21 21 PRO CA C 13 62.149 0.300 . 1 . . . . 21 PRO CA . 11242 1
184 . 1 1 21 21 PRO CB C 13 29.596 0.300 . 1 . . . . 21 PRO CB . 11242 1
185 . 1 1 21 21 PRO CD C 13 48.451 0.300 . 1 . . . . 21 PRO CD . 11242 1
186 . 1 1 21 21 PRO CG C 13 24.873 0.300 . 1 . . . . 21 PRO CG . 11242 1
187 . 1 1 22 22 LYS H H 1 7.653 0.030 . 1 . . . . 22 LYS H . 11242 1
188 . 1 1 22 22 LYS HA H 1 4.214 0.030 . 1 . . . . 22 LYS HA . 11242 1
189 . 1 1 22 22 LYS HB2 H 1 1.585 0.030 . 2 . . . . 22 LYS HB2 . 11242 1
190 . 1 1 22 22 LYS HB3 H 1 1.697 0.030 . 2 . . . . 22 LYS HB3 . 11242 1
191 . 1 1 22 22 LYS HD2 H 1 1.477 0.030 . 1 . . . . 22 LYS HD2 . 11242 1
192 . 1 1 22 22 LYS HD3 H 1 1.477 0.030 . 1 . . . . 22 LYS HD3 . 11242 1
193 . 1 1 22 22 LYS HE2 H 1 2.768 0.030 . 2 . . . . 22 LYS HE2 . 11242 1
194 . 1 1 22 22 LYS HG2 H 1 1.276 0.030 . 2 . . . . 22 LYS HG2 . 11242 1
195 . 1 1 22 22 LYS HG3 H 1 1.337 0.030 . 2 . . . . 22 LYS HG3 . 11242 1
196 . 1 1 22 22 LYS C C 13 174.578 0.300 . 1 . . . . 22 LYS C . 11242 1
197 . 1 1 22 22 LYS CA C 13 54.176 0.300 . 1 . . . . 22 LYS CA . 11242 1
198 . 1 1 22 22 LYS CB C 13 30.385 0.300 . 1 . . . . 22 LYS CB . 11242 1
199 . 1 1 22 22 LYS CD C 13 26.419 0.300 . 1 . . . . 22 LYS CD . 11242 1
200 . 1 1 22 22 LYS CE C 13 39.291 0.300 . 1 . . . . 22 LYS CE . 11242 1
201 . 1 1 22 22 LYS CG C 13 22.379 0.300 . 1 . . . . 22 LYS CG . 11242 1
202 . 1 1 22 22 LYS N N 15 113.914 0.300 . 1 . . . . 22 LYS N . 11242 1
203 . 1 1 23 23 GLU H H 1 7.421 0.030 . 1 . . . . 23 GLU H . 11242 1
204 . 1 1 23 23 GLU HA H 1 4.784 0.030 . 1 . . . . 23 GLU HA . 11242 1
205 . 1 1 23 23 GLU HB2 H 1 2.376 0.030 . 2 . . . . 23 GLU HB2 . 11242 1
206 . 1 1 23 23 GLU HB3 H 1 2.192 0.030 . 2 . . . . 23 GLU HB3 . 11242 1
207 . 1 1 23 23 GLU HG2 H 1 2.194 0.030 . 2 . . . . 23 GLU HG2 . 11242 1
208 . 1 1 23 23 GLU HG3 H 1 1.908 0.030 . 2 . . . . 23 GLU HG3 . 11242 1
209 . 1 1 23 23 GLU C C 13 172.870 0.300 . 1 . . . . 23 GLU C . 11242 1
210 . 1 1 23 23 GLU CA C 13 52.544 0.300 . 1 . . . . 23 GLU CA . 11242 1
211 . 1 1 23 23 GLU CB C 13 29.854 0.300 . 1 . . . . 23 GLU CB . 11242 1
212 . 1 1 23 23 GLU CG C 13 34.397 0.300 . 1 . . . . 23 GLU CG . 11242 1
213 . 1 1 23 23 GLU N N 15 119.328 0.300 . 1 . . . . 23 GLU N . 11242 1
214 . 1 1 24 24 LEU H H 1 8.436 0.030 . 1 . . . . 24 LEU H . 11242 1
215 . 1 1 24 24 LEU HA H 1 4.548 0.030 . 1 . . . . 24 LEU HA . 11242 1
216 . 1 1 24 24 LEU HB2 H 1 1.520 0.030 . 2 . . . . 24 LEU HB2 . 11242 1
217 . 1 1 24 24 LEU HB3 H 1 1.367 0.030 . 2 . . . . 24 LEU HB3 . 11242 1
218 . 1 1 24 24 LEU HD11 H 1 0.845 0.030 . 1 . . . . 24 LEU HD1 . 11242 1
219 . 1 1 24 24 LEU HD12 H 1 0.845 0.030 . 1 . . . . 24 LEU HD1 . 11242 1
220 . 1 1 24 24 LEU HD13 H 1 0.845 0.030 . 1 . . . . 24 LEU HD1 . 11242 1
221 . 1 1 24 24 LEU HD21 H 1 0.771 0.030 . 1 . . . . 24 LEU HD2 . 11242 1
222 . 1 1 24 24 LEU HD22 H 1 0.771 0.030 . 1 . . . . 24 LEU HD2 . 11242 1
223 . 1 1 24 24 LEU HD23 H 1 0.771 0.030 . 1 . . . . 24 LEU HD2 . 11242 1
224 . 1 1 24 24 LEU HG H 1 1.405 0.030 . 1 . . . . 24 LEU HG . 11242 1
225 . 1 1 24 24 LEU C C 13 171.724 0.300 . 1 . . . . 24 LEU C . 11242 1
226 . 1 1 24 24 LEU CA C 13 50.842 0.300 . 1 . . . . 24 LEU CA . 11242 1
227 . 1 1 24 24 LEU CB C 13 42.075 0.300 . 1 . . . . 24 LEU CB . 11242 1
228 . 1 1 24 24 LEU CD1 C 13 22.772 0.300 . 2 . . . . 24 LEU CD1 . 11242 1
229 . 1 1 24 24 LEU CD2 C 13 21.336 0.300 . 2 . . . . 24 LEU CD2 . 11242 1
230 . 1 1 24 24 LEU CG C 13 24.407 0.300 . 1 . . . . 24 LEU CG . 11242 1
231 . 1 1 24 24 LEU N N 15 122.113 0.300 . 1 . . . . 24 LEU N . 11242 1
232 . 1 1 25 25 THR H H 1 7.885 0.030 . 1 . . . . 25 THR H . 11242 1
233 . 1 1 25 25 THR HA H 1 4.647 0.030 . 1 . . . . 25 THR HA . 11242 1
234 . 1 1 25 25 THR HB H 1 3.954 0.030 . 1 . . . . 25 THR HB . 11242 1
235 . 1 1 25 25 THR HG21 H 1 1.219 0.030 . 1 . . . . 25 THR HG2 . 11242 1
236 . 1 1 25 25 THR HG22 H 1 1.219 0.030 . 1 . . . . 25 THR HG2 . 11242 1
237 . 1 1 25 25 THR HG23 H 1 1.219 0.030 . 1 . . . . 25 THR HG2 . 11242 1
238 . 1 1 25 25 THR C C 13 172.734 0.300 . 1 . . . . 25 THR C . 11242 1
239 . 1 1 25 25 THR CA C 13 60.764 0.300 . 1 . . . . 25 THR CA . 11242 1
240 . 1 1 25 25 THR CB C 13 66.861 0.300 . 1 . . . . 25 THR CB . 11242 1
241 . 1 1 25 25 THR CG2 C 13 20.011 0.300 . 1 . . . . 25 THR CG2 . 11242 1
242 . 1 1 25 25 THR N N 15 118.555 0.300 . 1 . . . . 25 THR N . 11242 1
243 . 1 1 26 26 LEU H H 1 9.301 0.030 . 1 . . . . 26 LEU H . 11242 1
244 . 1 1 26 26 LEU HA H 1 4.519 0.030 . 1 . . . . 26 LEU HA . 11242 1
245 . 1 1 26 26 LEU HB2 H 1 1.393 0.030 . 2 . . . . 26 LEU HB2 . 11242 1
246 . 1 1 26 26 LEU HB3 H 1 1.259 0.030 . 2 . . . . 26 LEU HB3 . 11242 1
247 . 1 1 26 26 LEU HD11 H 1 0.281 0.030 . 1 . . . . 26 LEU HD1 . 11242 1
248 . 1 1 26 26 LEU HD12 H 1 0.281 0.030 . 1 . . . . 26 LEU HD1 . 11242 1
249 . 1 1 26 26 LEU HD13 H 1 0.281 0.030 . 1 . . . . 26 LEU HD1 . 11242 1
250 . 1 1 26 26 LEU HD21 H 1 0.117 0.030 . 1 . . . . 26 LEU HD2 . 11242 1
251 . 1 1 26 26 LEU HD22 H 1 0.117 0.030 . 1 . . . . 26 LEU HD2 . 11242 1
252 . 1 1 26 26 LEU HD23 H 1 0.117 0.030 . 1 . . . . 26 LEU HD2 . 11242 1
253 . 1 1 26 26 LEU HG H 1 1.310 0.030 . 1 . . . . 26 LEU HG . 11242 1
254 . 1 1 26 26 LEU C C 13 172.648 0.300 . 1 . . . . 26 LEU C . 11242 1
255 . 1 1 26 26 LEU CA C 13 51.108 0.300 . 1 . . . . 26 LEU CA . 11242 1
256 . 1 1 26 26 LEU CB C 13 45.914 0.300 . 1 . . . . 26 LEU CB . 11242 1
257 . 1 1 26 26 LEU CD1 C 13 23.840 0.300 . 2 . . . . 26 LEU CD1 . 11242 1
258 . 1 1 26 26 LEU CD2 C 13 20.289 0.300 . 2 . . . . 26 LEU CD2 . 11242 1
259 . 1 1 26 26 LEU CG C 13 23.239 0.300 . 1 . . . . 26 LEU CG . 11242 1
260 . 1 1 26 26 LEU N N 15 129.847 0.300 . 1 . . . . 26 LEU N . 11242 1
261 . 1 1 27 27 GLN H H 1 9.185 0.030 . 1 . . . . 27 GLN H . 11242 1
262 . 1 1 27 27 GLN HA H 1 4.786 0.030 . 1 . . . . 27 GLN HA . 11242 1
263 . 1 1 27 27 GLN HB2 H 1 1.891 0.030 . 2 . . . . 27 GLN HB2 . 11242 1
264 . 1 1 27 27 GLN HB3 H 1 1.779 0.030 . 2 . . . . 27 GLN HB3 . 11242 1
265 . 1 1 27 27 GLN HE21 H 1 7.591 0.030 . 2 . . . . 27 GLN HE21 . 11242 1
266 . 1 1 27 27 GLN HE22 H 1 6.684 0.030 . 2 . . . . 27 GLN HE22 . 11242 1
267 . 1 1 27 27 GLN HG2 H 1 2.218 0.030 . 1 . . . . 27 GLN HG2 . 11242 1
268 . 1 1 27 27 GLN HG3 H 1 2.218 0.030 . 1 . . . . 27 GLN HG3 . 11242 1
269 . 1 1 27 27 GLN C C 13 172.214 0.300 . 1 . . . . 27 GLN C . 11242 1
270 . 1 1 27 27 GLN CA C 13 50.974 0.300 . 1 . . . . 27 GLN CA . 11242 1
271 . 1 1 27 27 GLN CB C 13 29.588 0.300 . 1 . . . . 27 GLN CB . 11242 1
272 . 1 1 27 27 GLN CG C 13 32.239 0.300 . 1 . . . . 27 GLN CG . 11242 1
273 . 1 1 27 27 GLN N N 15 122.577 0.300 . 1 . . . . 27 GLN N . 11242 1
274 . 1 1 27 27 GLN NE2 N 15 112.160 0.300 . 1 . . . . 27 GLN NE2 . 11242 1
275 . 1 1 28 28 LYS H H 1 9.036 0.030 . 1 . . . . 28 LYS H . 11242 1
276 . 1 1 28 28 LYS HA H 1 3.112 0.030 . 1 . . . . 28 LYS HA . 11242 1
277 . 1 1 28 28 LYS HB2 H 1 1.370 0.030 . 2 . . . . 28 LYS HB2 . 11242 1
278 . 1 1 28 28 LYS HB3 H 1 1.499 0.030 . 2 . . . . 28 LYS HB3 . 11242 1
279 . 1 1 28 28 LYS HD2 H 1 1.539 0.030 . 1 . . . . 28 LYS HD2 . 11242 1
280 . 1 1 28 28 LYS HD3 H 1 1.539 0.030 . 1 . . . . 28 LYS HD3 . 11242 1
281 . 1 1 28 28 LYS HE2 H 1 2.832 0.030 . 2 . . . . 28 LYS HE2 . 11242 1
282 . 1 1 28 28 LYS HG2 H 1 0.961 0.030 . 1 . . . . 28 LYS HG2 . 11242 1
283 . 1 1 28 28 LYS HG3 H 1 0.961 0.030 . 1 . . . . 28 LYS HG3 . 11242 1
284 . 1 1 28 28 LYS C C 13 174.524 0.300 . 1 . . . . 28 LYS C . 11242 1
285 . 1 1 28 28 LYS CA C 13 56.054 0.300 . 1 . . . . 28 LYS CA . 11242 1
286 . 1 1 28 28 LYS CB C 13 29.721 0.300 . 1 . . . . 28 LYS CB . 11242 1
287 . 1 1 28 28 LYS CD C 13 27.121 0.300 . 1 . . . . 28 LYS CD . 11242 1
288 . 1 1 28 28 LYS CE C 13 39.352 0.300 . 1 . . . . 28 LYS CE . 11242 1
289 . 1 1 28 28 LYS CG C 13 21.742 0.300 . 1 . . . . 28 LYS CG . 11242 1
290 . 1 1 28 28 LYS N N 15 121.958 0.300 . 1 . . . . 28 LYS N . 11242 1
291 . 1 1 29 29 GLY H H 1 8.640 0.030 . 1 . . . . 29 GLY H . 11242 1
292 . 1 1 29 29 GLY HA2 H 1 4.322 0.030 . 2 . . . . 29 GLY HA2 . 11242 1
293 . 1 1 29 29 GLY HA3 H 1 3.247 0.030 . 2 . . . . 29 GLY HA3 . 11242 1
294 . 1 1 29 29 GLY C C 13 171.546 0.300 . 1 . . . . 29 GLY C . 11242 1
295 . 1 1 29 29 GLY CA C 13 42.215 0.300 . 1 . . . . 29 GLY CA . 11242 1
296 . 1 1 29 29 GLY N N 15 115.306 0.300 . 1 . . . . 29 GLY N . 11242 1
297 . 1 1 30 30 ASP H H 1 8.400 0.030 . 1 . . . . 30 ASP H . 11242 1
298 . 1 1 30 30 ASP HA H 1 4.474 0.030 . 1 . . . . 30 ASP HA . 11242 1
299 . 1 1 30 30 ASP HB2 H 1 2.515 0.030 . 2 . . . . 30 ASP HB2 . 11242 1
300 . 1 1 30 30 ASP HB3 H 1 1.875 0.030 . 2 . . . . 30 ASP HB3 . 11242 1
301 . 1 1 30 30 ASP C C 13 172.352 0.300 . 1 . . . . 30 ASP C . 11242 1
302 . 1 1 30 30 ASP CA C 13 53.129 0.300 . 1 . . . . 30 ASP CA . 11242 1
303 . 1 1 30 30 ASP CB C 13 38.720 0.300 . 1 . . . . 30 ASP CB . 11242 1
304 . 1 1 30 30 ASP N N 15 122.731 0.300 . 1 . . . . 30 ASP N . 11242 1
305 . 1 1 31 31 ILE H H 1 8.345 0.030 . 1 . . . . 31 ILE H . 11242 1
306 . 1 1 31 31 ILE HA H 1 4.954 0.030 . 1 . . . . 31 ILE HA . 11242 1
307 . 1 1 31 31 ILE HB H 1 1.865 0.030 . 1 . . . . 31 ILE HB . 11242 1
308 . 1 1 31 31 ILE HD11 H 1 0.645 0.030 . 1 . . . . 31 ILE HD1 . 11242 1
309 . 1 1 31 31 ILE HD12 H 1 0.645 0.030 . 1 . . . . 31 ILE HD1 . 11242 1
310 . 1 1 31 31 ILE HD13 H 1 0.645 0.030 . 1 . . . . 31 ILE HD1 . 11242 1
311 . 1 1 31 31 ILE HG12 H 1 1.480 0.030 . 1 . . . . 31 ILE HG12 . 11242 1
312 . 1 1 31 31 ILE HG13 H 1 1.480 0.030 . 1 . . . . 31 ILE HG13 . 11242 1
313 . 1 1 31 31 ILE HG21 H 1 0.611 0.030 . 1 . . . . 31 ILE HG2 . 11242 1
314 . 1 1 31 31 ILE HG22 H 1 0.611 0.030 . 1 . . . . 31 ILE HG2 . 11242 1
315 . 1 1 31 31 ILE HG23 H 1 0.611 0.030 . 1 . . . . 31 ILE HG2 . 11242 1
316 . 1 1 31 31 ILE CA C 13 55.643 0.300 . 1 . . . . 31 ILE CA . 11242 1
317 . 1 1 31 31 ILE CB C 13 34.941 0.300 . 1 . . . . 31 ILE CB . 11242 1
318 . 1 1 31 31 ILE CD1 C 13 8.069 0.300 . 1 . . . . 31 ILE CD1 . 11242 1
319 . 1 1 31 31 ILE CG1 C 13 24.279 0.300 . 1 . . . . 31 ILE CG1 . 11242 1
320 . 1 1 31 31 ILE CG2 C 13 14.329 0.300 . 1 . . . . 31 ILE CG2 . 11242 1
321 . 1 1 31 31 ILE N N 15 119.792 0.300 . 1 . . . . 31 ILE N . 11242 1
322 . 1 1 32 32 VAL H H 1 8.796 0.030 . 1 . . . . 32 VAL H . 11242 1
323 . 1 1 32 32 VAL HA H 1 4.836 0.030 . 1 . . . . 32 VAL HA . 11242 1
324 . 1 1 32 32 VAL HB H 1 1.529 0.030 . 1 . . . . 32 VAL HB . 11242 1
325 . 1 1 32 32 VAL HG11 H 1 0.227 0.030 . 1 . . . . 32 VAL HG1 . 11242 1
326 . 1 1 32 32 VAL HG12 H 1 0.227 0.030 . 1 . . . . 32 VAL HG1 . 11242 1
327 . 1 1 32 32 VAL HG13 H 1 0.227 0.030 . 1 . . . . 32 VAL HG1 . 11242 1
328 . 1 1 32 32 VAL HG21 H 1 0.271 0.030 . 1 . . . . 32 VAL HG2 . 11242 1
329 . 1 1 32 32 VAL HG22 H 1 0.271 0.030 . 1 . . . . 32 VAL HG2 . 11242 1
330 . 1 1 32 32 VAL HG23 H 1 0.271 0.030 . 1 . . . . 32 VAL HG2 . 11242 1
331 . 1 1 32 32 VAL C C 13 170.783 0.300 . 1 . . . . 32 VAL C . 11242 1
332 . 1 1 32 32 VAL CA C 13 55.225 0.300 . 1 . . . . 32 VAL CA . 11242 1
333 . 1 1 32 32 VAL CB C 13 32.471 0.300 . 1 . . . . 32 VAL CB . 11242 1
334 . 1 1 32 32 VAL CG1 C 13 19.456 0.300 . 2 . . . . 32 VAL CG1 . 11242 1
335 . 1 1 32 32 VAL CG2 C 13 16.854 0.300 . 2 . . . . 32 VAL CG2 . 11242 1
336 . 1 1 32 32 VAL N N 15 121.572 0.300 . 1 . . . . 32 VAL N . 11242 1
337 . 1 1 33 33 TYR H H 1 8.198 0.030 . 1 . . . . 33 TYR H . 11242 1
338 . 1 1 33 33 TYR HA H 1 4.854 0.030 . 1 . . . . 33 TYR HA . 11242 1
339 . 1 1 33 33 TYR HB2 H 1 2.766 0.030 . 1 . . . . 33 TYR HB2 . 11242 1
340 . 1 1 33 33 TYR HB3 H 1 2.766 0.030 . 1 . . . . 33 TYR HB3 . 11242 1
341 . 1 1 33 33 TYR HD1 H 1 6.799 0.030 . 1 . . . . 33 TYR HD1 . 11242 1
342 . 1 1 33 33 TYR HD2 H 1 6.799 0.030 . 1 . . . . 33 TYR HD2 . 11242 1
343 . 1 1 33 33 TYR HE1 H 1 6.583 0.030 . 1 . . . . 33 TYR HE1 . 11242 1
344 . 1 1 33 33 TYR HE2 H 1 6.583 0.030 . 1 . . . . 33 TYR HE2 . 11242 1
345 . 1 1 33 33 TYR C C 13 170.783 0.300 . 1 . . . . 33 TYR C . 11242 1
346 . 1 1 33 33 TYR CA C 13 54.030 0.300 . 1 . . . . 33 TYR CA . 11242 1
347 . 1 1 33 33 TYR CB C 13 37.293 0.300 . 1 . . . . 33 TYR CB . 11242 1
348 . 1 1 33 33 TYR CD1 C 13 130.175 0.300 . 1 . . . . 33 TYR CD1 . 11242 1
349 . 1 1 33 33 TYR CD2 C 13 130.175 0.300 . 1 . . . . 33 TYR CD2 . 11242 1
350 . 1 1 33 33 TYR CE1 C 13 115.395 0.300 . 1 . . . . 33 TYR CE1 . 11242 1
351 . 1 1 33 33 TYR CE2 C 13 115.395 0.300 . 1 . . . . 33 TYR CE2 . 11242 1
352 . 1 1 33 33 TYR N N 15 120.204 0.300 . 1 . . . . 33 TYR N . 11242 1
353 . 1 1 34 34 ILE H H 1 8.986 0.030 . 1 . . . . 34 ILE H . 11242 1
354 . 1 1 34 34 ILE HA H 1 3.843 0.030 . 1 . . . . 34 ILE HA . 11242 1
355 . 1 1 34 34 ILE HB H 1 1.955 0.030 . 1 . . . . 34 ILE HB . 11242 1
356 . 1 1 34 34 ILE HD11 H 1 0.739 0.030 . 1 . . . . 34 ILE HD1 . 11242 1
357 . 1 1 34 34 ILE HD12 H 1 0.739 0.030 . 1 . . . . 34 ILE HD1 . 11242 1
358 . 1 1 34 34 ILE HD13 H 1 0.739 0.030 . 1 . . . . 34 ILE HD1 . 11242 1
359 . 1 1 34 34 ILE HG12 H 1 0.956 0.030 . 2 . . . . 34 ILE HG12 . 11242 1
360 . 1 1 34 34 ILE HG13 H 1 1.635 0.030 . 2 . . . . 34 ILE HG13 . 11242 1
361 . 1 1 34 34 ILE HG21 H 1 0.744 0.030 . 1 . . . . 34 ILE HG2 . 11242 1
362 . 1 1 34 34 ILE HG22 H 1 0.744 0.030 . 1 . . . . 34 ILE HG2 . 11242 1
363 . 1 1 34 34 ILE HG23 H 1 0.744 0.030 . 1 . . . . 34 ILE HG2 . 11242 1
364 . 1 1 34 34 ILE CA C 13 60.276 0.300 . 1 . . . . 34 ILE CA . 11242 1
365 . 1 1 34 34 ILE CB C 13 36.230 0.300 . 1 . . . . 34 ILE CB . 11242 1
366 . 1 1 34 34 ILE CD1 C 13 12.176 0.300 . 1 . . . . 34 ILE CD1 . 11242 1
367 . 1 1 34 34 ILE CG1 C 13 25.320 0.300 . 1 . . . . 34 ILE CG1 . 11242 1
368 . 1 1 34 34 ILE CG2 C 13 15.906 0.300 . 1 . . . . 34 ILE CG2 . 11242 1
369 . 1 1 35 35 HIS H H 1 9.717 0.030 . 1 . . . . 35 HIS H . 11242 1
370 . 1 1 35 35 HIS HA H 1 4.756 0.030 . 1 . . . . 35 HIS HA . 11242 1
371 . 1 1 35 35 HIS HB2 H 1 3.035 0.030 . 2 . . . . 35 HIS HB2 . 11242 1
372 . 1 1 35 35 HIS HB3 H 1 2.894 0.030 . 2 . . . . 35 HIS HB3 . 11242 1
373 . 1 1 35 35 HIS HD2 H 1 6.817 0.030 . 1 . . . . 35 HIS HD2 . 11242 1
374 . 1 1 35 35 HIS HE1 H 1 7.738 0.030 . 1 . . . . 35 HIS HE1 . 11242 1
375 . 1 1 35 35 HIS C C 13 173.111 0.300 . 1 . . . . 35 HIS C . 11242 1
376 . 1 1 35 35 HIS CA C 13 54.822 0.300 . 1 . . . . 35 HIS CA . 11242 1
377 . 1 1 35 35 HIS CB C 13 30.385 0.300 . 1 . . . . 35 HIS CB . 11242 1
378 . 1 1 35 35 HIS CD2 C 13 114.072 0.300 . 1 . . . . 35 HIS CD2 . 11242 1
379 . 1 1 35 35 HIS CE1 C 13 135.911 0.300 . 1 . . . . 35 HIS CE1 . 11242 1
380 . 1 1 35 35 HIS N N 15 127.343 0.300 . 1 . . . . 35 HIS N . 11242 1
381 . 1 1 36 36 LYS H H 1 7.959 0.030 . 1 . . . . 36 LYS H . 11242 1
382 . 1 1 36 36 LYS HA H 1 4.574 0.030 . 1 . . . . 36 LYS HA . 11242 1
383 . 1 1 36 36 LYS HB2 H 1 1.897 0.030 . 2 . . . . 36 LYS HB2 . 11242 1
384 . 1 1 36 36 LYS HB3 H 1 1.653 0.030 . 2 . . . . 36 LYS HB3 . 11242 1
385 . 1 1 36 36 LYS HD2 H 1 1.505 0.030 . 1 . . . . 36 LYS HD2 . 11242 1
386 . 1 1 36 36 LYS HD3 H 1 1.505 0.030 . 1 . . . . 36 LYS HD3 . 11242 1
387 . 1 1 36 36 LYS HE2 H 1 2.784 0.030 . 1 . . . . 36 LYS HE2 . 11242 1
388 . 1 1 36 36 LYS HE3 H 1 2.784 0.030 . 1 . . . . 36 LYS HE3 . 11242 1
389 . 1 1 36 36 LYS HG2 H 1 1.215 0.030 . 2 . . . . 36 LYS HG2 . 11242 1
390 . 1 1 36 36 LYS HG3 H 1 1.004 0.030 . 2 . . . . 36 LYS HG3 . 11242 1
391 . 1 1 36 36 LYS C C 13 171.277 0.300 . 1 . . . . 36 LYS C . 11242 1
392 . 1 1 36 36 LYS CA C 13 52.975 0.300 . 1 . . . . 36 LYS CA . 11242 1
393 . 1 1 36 36 LYS CB C 13 32.774 0.300 . 1 . . . . 36 LYS CB . 11242 1
394 . 1 1 36 36 LYS CD C 13 26.931 0.300 . 1 . . . . 36 LYS CD . 11242 1
395 . 1 1 36 36 LYS CE C 13 39.353 0.300 . 1 . . . . 36 LYS CE . 11242 1
396 . 1 1 36 36 LYS CG C 13 21.087 0.300 . 1 . . . . 36 LYS CG . 11242 1
397 . 1 1 36 36 LYS N N 15 114.378 0.300 . 1 . . . . 36 LYS N . 11242 1
398 . 1 1 37 37 GLU H H 1 8.515 0.030 . 1 . . . . 37 GLU H . 11242 1
399 . 1 1 37 37 GLU HA H 1 4.446 0.030 . 1 . . . . 37 GLU HA . 11242 1
400 . 1 1 37 37 GLU HB2 H 1 1.869 0.030 . 2 . . . . 37 GLU HB2 . 11242 1
401 . 1 1 37 37 GLU HB3 H 1 1.831 0.030 . 2 . . . . 37 GLU HB3 . 11242 1
402 . 1 1 37 37 GLU HG2 H 1 2.072 0.030 . 2 . . . . 37 GLU HG2 . 11242 1
403 . 1 1 37 37 GLU HG3 H 1 1.984 0.030 . 2 . . . . 37 GLU HG3 . 11242 1
404 . 1 1 37 37 GLU C C 13 173.494 0.300 . 1 . . . . 37 GLU C . 11242 1
405 . 1 1 37 37 GLU CA C 13 53.375 0.300 . 1 . . . . 37 GLU CA . 11242 1
406 . 1 1 37 37 GLU CB C 13 27.010 0.300 . 1 . . . . 37 GLU CB . 11242 1
407 . 1 1 37 37 GLU CG C 13 33.706 0.300 . 1 . . . . 37 GLU CG . 11242 1
408 . 1 1 37 37 GLU N N 15 121.184 0.300 . 1 . . . . 37 GLU N . 11242 1
409 . 1 1 38 38 VAL H H 1 8.301 0.030 . 1 . . . . 38 VAL H . 11242 1
410 . 1 1 38 38 VAL HA H 1 3.747 0.030 . 1 . . . . 38 VAL HA . 11242 1
411 . 1 1 38 38 VAL HB H 1 1.808 0.030 . 1 . . . . 38 VAL HB . 11242 1
412 . 1 1 38 38 VAL HG11 H 1 0.719 0.030 . 1 . . . . 38 VAL HG1 . 11242 1
413 . 1 1 38 38 VAL HG12 H 1 0.719 0.030 . 1 . . . . 38 VAL HG1 . 11242 1
414 . 1 1 38 38 VAL HG13 H 1 0.719 0.030 . 1 . . . . 38 VAL HG1 . 11242 1
415 . 1 1 38 38 VAL HG21 H 1 0.745 0.030 . 1 . . . . 38 VAL HG2 . 11242 1
416 . 1 1 38 38 VAL HG22 H 1 0.745 0.030 . 1 . . . . 38 VAL HG2 . 11242 1
417 . 1 1 38 38 VAL HG23 H 1 0.745 0.030 . 1 . . . . 38 VAL HG2 . 11242 1
418 . 1 1 38 38 VAL C C 13 173.193 0.300 . 1 . . . . 38 VAL C . 11242 1
419 . 1 1 38 38 VAL CA C 13 62.149 0.300 . 1 . . . . 38 VAL CA . 11242 1
420 . 1 1 38 38 VAL CB C 13 30.119 0.300 . 1 . . . . 38 VAL CB . 11242 1
421 . 1 1 38 38 VAL CG1 C 13 19.189 0.300 . 2 . . . . 38 VAL CG1 . 11242 1
422 . 1 1 38 38 VAL CG2 C 13 18.132 0.300 . 2 . . . . 38 VAL CG2 . 11242 1
423 . 1 1 38 38 VAL N N 15 126.135 0.300 . 1 . . . . 38 VAL N . 11242 1
424 . 1 1 39 39 ASP H H 1 8.238 0.030 . 1 . . . . 39 ASP H . 11242 1
425 . 1 1 39 39 ASP HA H 1 4.346 0.030 . 1 . . . . 39 ASP HA . 11242 1
426 . 1 1 39 39 ASP HB2 H 1 2.990 0.030 . 1 . . . . 39 ASP HB2 . 11242 1
427 . 1 1 39 39 ASP HB3 H 1 2.990 0.030 . 1 . . . . 39 ASP HB3 . 11242 1
428 . 1 1 39 39 ASP C C 13 172.793 0.300 . 1 . . . . 39 ASP C . 11242 1
429 . 1 1 39 39 ASP CA C 13 50.820 0.300 . 1 . . . . 39 ASP CA . 11242 1
430 . 1 1 39 39 ASP CB C 13 37.762 0.300 . 1 . . . . 39 ASP CB . 11242 1
431 . 1 1 39 39 ASP N N 15 118.245 0.300 . 1 . . . . 39 ASP N . 11242 1
432 . 1 1 40 40 LYS H H 1 8.087 0.030 . 1 . . . . 40 LYS H . 11242 1
433 . 1 1 40 40 LYS HA H 1 3.979 0.030 . 1 . . . . 40 LYS HA . 11242 1
434 . 1 1 40 40 LYS HB2 H 1 1.704 0.030 . 1 . . . . 40 LYS HB2 . 11242 1
435 . 1 1 40 40 LYS HB3 H 1 1.704 0.030 . 1 . . . . 40 LYS HB3 . 11242 1
436 . 1 1 40 40 LYS HD2 H 1 1.565 0.030 . 1 . . . . 40 LYS HD2 . 11242 1
437 . 1 1 40 40 LYS HD3 H 1 1.565 0.030 . 1 . . . . 40 LYS HD3 . 11242 1
438 . 1 1 40 40 LYS HE2 H 1 2.894 0.030 . 1 . . . . 40 LYS HE2 . 11242 1
439 . 1 1 40 40 LYS HE3 H 1 2.894 0.030 . 1 . . . . 40 LYS HE3 . 11242 1
440 . 1 1 40 40 LYS HG2 H 1 1.314 0.030 . 1 . . . . 40 LYS HG2 . 11242 1
441 . 1 1 40 40 LYS HG3 H 1 1.314 0.030 . 1 . . . . 40 LYS HG3 . 11242 1
442 . 1 1 40 40 LYS C C 13 174.215 0.300 . 1 . . . . 40 LYS C . 11242 1
443 . 1 1 40 40 LYS CA C 13 55.807 0.300 . 1 . . . . 40 LYS CA . 11242 1
444 . 1 1 40 40 LYS CB C 13 29.119 0.300 . 1 . . . . 40 LYS CB . 11242 1
445 . 1 1 40 40 LYS CD C 13 26.237 0.300 . 1 . . . . 40 LYS CD . 11242 1
446 . 1 1 40 40 LYS CE C 13 39.551 0.300 . 1 . . . . 40 LYS CE . 11242 1
447 . 1 1 40 40 LYS CG C 13 21.742 0.300 . 1 . . . . 40 LYS CG . 11242 1
448 . 1 1 40 40 LYS N N 15 114.069 0.300 . 1 . . . . 40 LYS N . 11242 1
449 . 1 1 41 41 ASN H H 1 8.682 0.030 . 1 . . . . 41 ASN H . 11242 1
450 . 1 1 41 41 ASN HA H 1 4.622 0.030 . 1 . . . . 41 ASN HA . 11242 1
451 . 1 1 41 41 ASN HB2 H 1 2.275 0.030 . 2 . . . . 41 ASN HB2 . 11242 1
452 . 1 1 41 41 ASN HB3 H 1 2.600 0.030 . 2 . . . . 41 ASN HB3 . 11242 1
453 . 1 1 41 41 ASN HD21 H 1 6.755 0.030 . 2 . . . . 41 ASN HD21 . 11242 1
454 . 1 1 41 41 ASN HD22 H 1 7.653 0.030 . 2 . . . . 41 ASN HD22 . 11242 1
455 . 1 1 41 41 ASN C C 13 173.344 0.300 . 1 . . . . 41 ASN C . 11242 1
456 . 1 1 41 41 ASN CA C 13 51.171 0.300 . 1 . . . . 41 ASN CA . 11242 1
457 . 1 1 41 41 ASN CB C 13 38.355 0.300 . 1 . . . . 41 ASN CB . 11242 1
458 . 1 1 41 41 ASN N N 15 114.378 0.300 . 1 . . . . 41 ASN N . 11242 1
459 . 1 1 41 41 ASN ND2 N 15 114.120 0.300 . 1 . . . . 41 ASN ND2 . 11242 1
460 . 1 1 42 42 TRP H H 1 8.125 0.030 . 1 . . . . 42 TRP H . 11242 1
461 . 1 1 42 42 TRP HA H 1 4.729 0.030 . 1 . . . . 42 TRP HA . 11242 1
462 . 1 1 42 42 TRP HB2 H 1 2.761 0.030 . 2 . . . . 42 TRP HB2 . 11242 1
463 . 1 1 42 42 TRP HB3 H 1 2.683 0.030 . 2 . . . . 42 TRP HB3 . 11242 1
464 . 1 1 42 42 TRP HD1 H 1 7.679 0.030 . 1 . . . . 42 TRP HD1 . 11242 1
465 . 1 1 42 42 TRP HE1 H 1 10.048 0.030 . 1 . . . . 42 TRP HE1 . 11242 1
466 . 1 1 42 42 TRP HE3 H 1 6.950 0.030 . 1 . . . . 42 TRP HE3 . 11242 1
467 . 1 1 42 42 TRP HH2 H 1 7.216 0.030 . 1 . . . . 42 TRP HH2 . 11242 1
468 . 1 1 42 42 TRP HZ2 H 1 7.373 0.030 . 1 . . . . 42 TRP HZ2 . 11242 1
469 . 1 1 42 42 TRP HZ3 H 1 6.540 0.030 . 1 . . . . 42 TRP HZ3 . 11242 1
470 . 1 1 42 42 TRP C C 13 171.163 0.300 . 1 . . . . 42 TRP C . 11242 1
471 . 1 1 42 42 TRP CA C 13 54.451 0.300 . 1 . . . . 42 TRP CA . 11242 1
472 . 1 1 42 42 TRP CB C 13 29.588 0.300 . 1 . . . . 42 TRP CB . 11242 1
473 . 1 1 42 42 TRP CD1 C 13 126.679 0.300 . 1 . . . . 42 TRP CD1 . 11242 1
474 . 1 1 42 42 TRP CE3 C 13 117.451 0.300 . 1 . . . . 42 TRP CE3 . 11242 1
475 . 1 1 42 42 TRP CH2 C 13 122.075 0.300 . 1 . . . . 42 TRP CH2 . 11242 1
476 . 1 1 42 42 TRP CZ2 C 13 111.943 0.300 . 1 . . . . 42 TRP CZ2 . 11242 1
477 . 1 1 42 42 TRP CZ3 C 13 117.473 0.300 . 1 . . . . 42 TRP CZ3 . 11242 1
478 . 1 1 42 42 TRP N N 15 122.038 0.300 . 1 . . . . 42 TRP N . 11242 1
479 . 1 1 42 42 TRP NE1 N 15 128.862 0.300 . 1 . . . . 42 TRP NE1 . 11242 1
480 . 1 1 43 43 LEU H H 1 8.629 0.030 . 1 . . . . 43 LEU H . 11242 1
481 . 1 1 43 43 LEU HA H 1 4.663 0.030 . 1 . . . . 43 LEU HA . 11242 1
482 . 1 1 43 43 LEU HB2 H 1 0.860 0.030 . 1 . . . . 43 LEU HB2 . 11242 1
483 . 1 1 43 43 LEU HB3 H 1 0.860 0.030 . 1 . . . . 43 LEU HB3 . 11242 1
484 . 1 1 43 43 LEU HD11 H 1 0.778 0.030 . 1 . . . . 43 LEU HD1 . 11242 1
485 . 1 1 43 43 LEU HD12 H 1 0.778 0.030 . 1 . . . . 43 LEU HD1 . 11242 1
486 . 1 1 43 43 LEU HD13 H 1 0.778 0.030 . 1 . . . . 43 LEU HD1 . 11242 1
487 . 1 1 43 43 LEU HD21 H 1 0.823 0.030 . 1 . . . . 43 LEU HD2 . 11242 1
488 . 1 1 43 43 LEU HD22 H 1 0.823 0.030 . 1 . . . . 43 LEU HD2 . 11242 1
489 . 1 1 43 43 LEU HD23 H 1 0.823 0.030 . 1 . . . . 43 LEU HD2 . 11242 1
490 . 1 1 43 43 LEU HG H 1 1.210 0.030 . 1 . . . . 43 LEU HG . 11242 1
491 . 1 1 43 43 LEU C C 13 171.025 0.300 . 1 . . . . 43 LEU C . 11242 1
492 . 1 1 43 43 LEU CA C 13 50.143 0.300 . 1 . . . . 43 LEU CA . 11242 1
493 . 1 1 43 43 LEU CB C 13 42.207 0.300 . 1 . . . . 43 LEU CB . 11242 1
494 . 1 1 43 43 LEU CD1 C 13 23.970 0.300 . 2 . . . . 43 LEU CD1 . 11242 1
495 . 1 1 43 43 LEU CD2 C 13 20.918 0.300 . 2 . . . . 43 LEU CD2 . 11242 1
496 . 1 1 43 43 LEU CG C 13 24.344 0.300 . 1 . . . . 43 LEU CG . 11242 1
497 . 1 1 43 43 LEU N N 15 121.649 0.300 . 1 . . . . 43 LEU N . 11242 1
498 . 1 1 44 44 GLU H H 1 8.566 0.030 . 1 . . . . 44 GLU H . 11242 1
499 . 1 1 44 44 GLU HA H 1 4.847 0.030 . 1 . . . . 44 GLU HA . 11242 1
500 . 1 1 44 44 GLU HB2 H 1 1.636 0.030 . 2 . . . . 44 GLU HB2 . 11242 1
501 . 1 1 44 44 GLU HB3 H 1 1.907 0.030 . 2 . . . . 44 GLU HB3 . 11242 1
502 . 1 1 44 44 GLU HG2 H 1 1.900 0.030 . 2 . . . . 44 GLU HG2 . 11242 1
503 . 1 1 44 44 GLU HG3 H 1 1.838 0.030 . 2 . . . . 44 GLU HG3 . 11242 1
504 . 1 1 44 44 GLU C C 13 173.981 0.300 . 1 . . . . 44 GLU C . 11242 1
505 . 1 1 44 44 GLU CA C 13 51.497 0.300 . 1 . . . . 44 GLU CA . 11242 1
506 . 1 1 44 44 GLU CB C 13 30.385 0.300 . 1 . . . . 44 GLU CB . 11242 1
507 . 1 1 44 44 GLU CG C 13 35.029 0.300 . 1 . . . . 44 GLU CG . 11242 1
508 . 1 1 44 44 GLU N N 15 118.400 0.300 . 1 . . . . 44 GLU N . 11242 1
509 . 1 1 45 45 GLY H H 1 9.245 0.030 . 1 . . . . 45 GLY H . 11242 1
510 . 1 1 45 45 GLY HA2 H 1 4.281 0.030 . 1 . . . . 45 GLY HA2 . 11242 1
511 . 1 1 45 45 GLY HA3 H 1 4.281 0.030 . 1 . . . . 45 GLY HA3 . 11242 1
512 . 1 1 45 45 GLY C C 13 166.893 0.300 . 1 . . . . 45 GLY C . 11242 1
513 . 1 1 45 45 GLY CA C 13 43.858 0.300 . 1 . . . . 45 GLY CA . 11242 1
514 . 1 1 45 45 GLY N N 15 114.842 0.300 . 1 . . . . 45 GLY N . 11242 1
515 . 1 1 46 46 GLU H H 1 8.845 0.030 . 1 . . . . 46 GLU H . 11242 1
516 . 1 1 46 46 GLU HA H 1 5.752 0.030 . 1 . . . . 46 GLU HA . 11242 1
517 . 1 1 46 46 GLU HB2 H 1 1.841 0.030 . 2 . . . . 46 GLU HB2 . 11242 1
518 . 1 1 46 46 GLU HB3 H 1 2.012 0.030 . 2 . . . . 46 GLU HB3 . 11242 1
519 . 1 1 46 46 GLU HG2 H 1 2.196 0.030 . 2 . . . . 46 GLU HG2 . 11242 1
520 . 1 1 46 46 GLU HG3 H 1 2.108 0.030 . 2 . . . . 46 GLU HG3 . 11242 1
521 . 1 1 46 46 GLU C C 13 172.473 0.300 . 1 . . . . 46 GLU C . 11242 1
522 . 1 1 46 46 GLU CA C 13 51.343 0.300 . 1 . . . . 46 GLU CA . 11242 1
523 . 1 1 46 46 GLU CB C 13 32.550 0.300 . 1 . . . . 46 GLU CB . 11242 1
524 . 1 1 46 46 GLU CG C 13 33.605 0.300 . 1 . . . . 46 GLU CG . 11242 1
525 . 1 1 46 46 GLU N N 15 118.480 0.300 . 1 . . . . 46 GLU N . 11242 1
526 . 1 1 47 47 HIS H H 1 8.796 0.030 . 1 . . . . 47 HIS H . 11242 1
527 . 1 1 47 47 HIS HA H 1 4.686 0.030 . 1 . . . . 47 HIS HA . 11242 1
528 . 1 1 47 47 HIS HB2 H 1 2.880 0.030 . 1 . . . . 47 HIS HB2 . 11242 1
529 . 1 1 47 47 HIS HB3 H 1 2.880 0.030 . 1 . . . . 47 HIS HB3 . 11242 1
530 . 1 1 47 47 HIS HD2 H 1 7.223 0.030 . 1 . . . . 47 HIS HD2 . 11242 1
531 . 1 1 47 47 HIS HE1 H 1 7.551 0.030 . 1 . . . . 47 HIS HE1 . 11242 1
532 . 1 1 47 47 HIS CA C 13 53.926 0.300 . 1 . . . . 47 HIS CA . 11242 1
533 . 1 1 47 47 HIS CB C 13 32.173 0.300 . 1 . . . . 47 HIS CB . 11242 1
534 . 1 1 47 47 HIS CD2 C 13 117.425 0.300 . 1 . . . . 47 HIS CD2 . 11242 1
535 . 1 1 47 47 HIS CE1 C 13 135.104 0.300 . 1 . . . . 47 HIS CE1 . 11242 1
536 . 1 1 47 47 HIS N N 15 122.378 0.300 . 1 . . . . 47 HIS N . 11242 1
537 . 1 1 48 48 HIS HA H 1 4.097 0.030 . 1 . . . . 48 HIS HA . 11242 1
538 . 1 1 48 48 HIS HB2 H 1 3.184 0.030 . 2 . . . . 48 HIS HB2 . 11242 1
539 . 1 1 48 48 HIS HB3 H 1 2.648 0.030 . 2 . . . . 48 HIS HB3 . 11242 1
540 . 1 1 48 48 HIS HE1 H 1 8.074 0.030 . 1 . . . . 48 HIS HE1 . 11242 1
541 . 1 1 48 48 HIS CA C 13 53.092 0.300 . 1 . . . . 48 HIS CA . 11242 1
542 . 1 1 48 48 HIS CB C 13 25.674 0.300 . 1 . . . . 48 HIS CB . 11242 1
543 . 1 1 48 48 HIS CE1 C 13 134.375 0.300 . 1 . . . . 48 HIS CE1 . 11242 1
544 . 1 1 49 49 GLY HA2 H 1 3.639 0.030 . 2 . . . . 49 GLY HA2 . 11242 1
545 . 1 1 49 49 GLY HA3 H 1 4.054 0.030 . 2 . . . . 49 GLY HA3 . 11242 1
546 . 1 1 49 49 GLY C C 13 171.190 0.300 . 1 . . . . 49 GLY C . 11242 1
547 . 1 1 49 49 GLY CA C 13 42.962 0.300 . 1 . . . . 49 GLY CA . 11242 1
548 . 1 1 50 50 ARG H H 1 7.944 0.030 . 1 . . . . 50 ARG H . 11242 1
549 . 1 1 50 50 ARG HA H 1 4.549 0.030 . 1 . . . . 50 ARG HA . 11242 1
550 . 1 1 50 50 ARG HB2 H 1 1.828 0.030 . 2 . . . . 50 ARG HB2 . 11242 1
551 . 1 1 50 50 ARG HB3 H 1 1.947 0.030 . 2 . . . . 50 ARG HB3 . 11242 1
552 . 1 1 50 50 ARG HD2 H 1 3.264 0.030 . 1 . . . . 50 ARG HD2 . 11242 1
553 . 1 1 50 50 ARG HD3 H 1 3.264 0.030 . 1 . . . . 50 ARG HD3 . 11242 1
554 . 1 1 50 50 ARG HG2 H 1 1.688 0.030 . 2 . . . . 50 ARG HG2 . 11242 1
555 . 1 1 50 50 ARG HG3 H 1 1.597 0.030 . 2 . . . . 50 ARG HG3 . 11242 1
556 . 1 1 50 50 ARG C C 13 171.368 0.300 . 1 . . . . 50 ARG C . 11242 1
557 . 1 1 50 50 ARG CA C 13 52.452 0.300 . 1 . . . . 50 ARG CA . 11242 1
558 . 1 1 50 50 ARG CB C 13 29.581 0.300 . 1 . . . . 50 ARG CB . 11242 1
559 . 1 1 50 50 ARG CD C 13 41.049 0.300 . 1 . . . . 50 ARG CD . 11242 1
560 . 1 1 50 50 ARG CG C 13 24.540 0.300 . 1 . . . . 50 ARG CG . 11242 1
561 . 1 1 50 50 ARG N N 15 121.494 0.300 . 1 . . . . 50 ARG N . 11242 1
562 . 1 1 51 51 LEU H H 1 8.277 0.030 . 1 . . . . 51 LEU H . 11242 1
563 . 1 1 51 51 LEU HA H 1 5.266 0.030 . 1 . . . . 51 LEU HA . 11242 1
564 . 1 1 51 51 LEU HB2 H 1 1.547 0.030 . 2 . . . . 51 LEU HB2 . 11242 1
565 . 1 1 51 51 LEU HB3 H 1 1.463 0.030 . 2 . . . . 51 LEU HB3 . 11242 1
566 . 1 1 51 51 LEU HD11 H 1 0.663 0.030 . 1 . . . . 51 LEU HD1 . 11242 1
567 . 1 1 51 51 LEU HD12 H 1 0.663 0.030 . 1 . . . . 51 LEU HD1 . 11242 1
568 . 1 1 51 51 LEU HD13 H 1 0.663 0.030 . 1 . . . . 51 LEU HD1 . 11242 1
569 . 1 1 51 51 LEU HD21 H 1 0.653 0.030 . 1 . . . . 51 LEU HD2 . 11242 1
570 . 1 1 51 51 LEU HD22 H 1 0.653 0.030 . 1 . . . . 51 LEU HD2 . 11242 1
571 . 1 1 51 51 LEU HD23 H 1 0.653 0.030 . 1 . . . . 51 LEU HD2 . 11242 1
572 . 1 1 51 51 LEU HG H 1 1.445 0.030 . 1 . . . . 51 LEU HG . 11242 1
573 . 1 1 51 51 LEU C C 13 175.057 0.300 . 1 . . . . 51 LEU C . 11242 1
574 . 1 1 51 51 LEU CA C 13 50.898 0.300 . 1 . . . . 51 LEU CA . 11242 1
575 . 1 1 51 51 LEU CB C 13 42.149 0.300 . 1 . . . . 51 LEU CB . 11242 1
576 . 1 1 51 51 LEU CD1 C 13 22.016 0.300 . 2 . . . . 51 LEU CD1 . 11242 1
577 . 1 1 51 51 LEU CD2 C 13 22.149 0.300 . 2 . . . . 51 LEU CD2 . 11242 1
578 . 1 1 51 51 LEU CG C 13 25.184 0.300 . 1 . . . . 51 LEU CG . 11242 1
579 . 1 1 51 51 LEU N N 15 123.814 0.300 . 1 . . . . 51 LEU N . 11242 1
580 . 1 1 52 52 GLY H H 1 8.837 0.030 . 1 . . . . 52 GLY H . 11242 1
581 . 1 1 52 52 GLY HA2 H 1 4.001 0.030 . 2 . . . . 52 GLY HA2 . 11242 1
582 . 1 1 52 52 GLY HA3 H 1 4.299 0.030 . 2 . . . . 52 GLY HA3 . 11242 1
583 . 1 1 52 52 GLY C C 13 168.611 0.300 . 1 . . . . 52 GLY C . 11242 1
584 . 1 1 52 52 GLY CA C 13 43.536 0.300 . 1 . . . . 52 GLY CA . 11242 1
585 . 1 1 52 52 GLY N N 15 110.975 0.300 . 1 . . . . 52 GLY N . 11242 1
586 . 1 1 53 53 ILE H H 1 8.332 0.030 . 1 . . . . 53 ILE H . 11242 1
587 . 1 1 53 53 ILE HA H 1 5.831 0.030 . 1 . . . . 53 ILE HA . 11242 1
588 . 1 1 53 53 ILE HB H 1 1.753 0.030 . 1 . . . . 53 ILE HB . 11242 1
589 . 1 1 53 53 ILE HD11 H 1 0.051 0.030 . 1 . . . . 53 ILE HD1 . 11242 1
590 . 1 1 53 53 ILE HD12 H 1 0.051 0.030 . 1 . . . . 53 ILE HD1 . 11242 1
591 . 1 1 53 53 ILE HD13 H 1 0.051 0.030 . 1 . . . . 53 ILE HD1 . 11242 1
592 . 1 1 53 53 ILE HG12 H 1 1.184 0.030 . 2 . . . . 53 ILE HG12 . 11242 1
593 . 1 1 53 53 ILE HG13 H 1 0.691 0.030 . 2 . . . . 53 ILE HG13 . 11242 1
594 . 1 1 53 53 ILE HG21 H 1 0.682 0.030 . 1 . . . . 53 ILE HG2 . 11242 1
595 . 1 1 53 53 ILE HG22 H 1 0.682 0.030 . 1 . . . . 53 ILE HG2 . 11242 1
596 . 1 1 53 53 ILE HG23 H 1 0.682 0.030 . 1 . . . . 53 ILE HG2 . 11242 1
597 . 1 1 53 53 ILE C C 13 173.356 0.300 . 1 . . . . 53 ILE C . 11242 1
598 . 1 1 53 53 ILE CA C 13 56.952 0.300 . 1 . . . . 53 ILE CA . 11242 1
599 . 1 1 53 53 ILE CB C 13 38.889 0.300 . 1 . . . . 53 ILE CB . 11242 1
600 . 1 1 53 53 ILE CD1 C 13 10.067 0.300 . 1 . . . . 53 ILE CD1 . 11242 1
601 . 1 1 53 53 ILE CG1 C 13 23.725 0.300 . 1 . . . . 53 ILE CG1 . 11242 1
602 . 1 1 53 53 ILE CG2 C 13 14.710 0.300 . 1 . . . . 53 ILE CG2 . 11242 1
603 . 1 1 53 53 ILE N N 15 112.676 0.300 . 1 . . . . 53 ILE N . 11242 1
604 . 1 1 54 54 PHE H H 1 8.144 0.030 . 1 . . . . 54 PHE H . 11242 1
605 . 1 1 54 54 PHE HA H 1 4.688 0.030 . 1 . . . . 54 PHE HA . 11242 1
606 . 1 1 54 54 PHE HB2 H 1 2.176 0.030 . 2 . . . . 54 PHE HB2 . 11242 1
607 . 1 1 54 54 PHE HB3 H 1 3.147 0.030 . 2 . . . . 54 PHE HB3 . 11242 1
608 . 1 1 54 54 PHE HD1 H 1 6.609 0.030 . 1 . . . . 54 PHE HD1 . 11242 1
609 . 1 1 54 54 PHE HD2 H 1 6.609 0.030 . 1 . . . . 54 PHE HD2 . 11242 1
610 . 1 1 54 54 PHE HE1 H 1 6.692 0.030 . 1 . . . . 54 PHE HE1 . 11242 1
611 . 1 1 54 54 PHE HE2 H 1 6.692 0.030 . 1 . . . . 54 PHE HE2 . 11242 1
612 . 1 1 54 54 PHE HZ H 1 6.576 0.030 . 1 . . . . 54 PHE HZ . 11242 1
613 . 1 1 54 54 PHE C C 13 168.782 0.300 . 1 . . . . 54 PHE C . 11242 1
614 . 1 1 54 54 PHE CA C 13 51.749 0.300 . 1 . . . . 54 PHE CA . 11242 1
615 . 1 1 54 54 PHE CB C 13 34.636 0.300 . 1 . . . . 54 PHE CB . 11242 1
616 . 1 1 54 54 PHE CD1 C 13 130.297 0.300 . 1 . . . . 54 PHE CD1 . 11242 1
617 . 1 1 54 54 PHE CD2 C 13 130.297 0.300 . 1 . . . . 54 PHE CD2 . 11242 1
618 . 1 1 54 54 PHE CE1 C 13 127.763 0.300 . 1 . . . . 54 PHE CE1 . 11242 1
619 . 1 1 54 54 PHE CE2 C 13 127.763 0.300 . 1 . . . . 54 PHE CE2 . 11242 1
620 . 1 1 54 54 PHE CZ C 13 124.974 0.300 . 1 . . . . 54 PHE CZ . 11242 1
621 . 1 1 54 54 PHE N N 15 115.461 0.300 . 1 . . . . 54 PHE N . 11242 1
622 . 1 1 55 55 PRO HA H 1 3.656 0.030 . 1 . . . . 55 PRO HA . 11242 1
623 . 1 1 55 55 PRO HB2 H 1 1.148 0.030 . 2 . . . . 55 PRO HB2 . 11242 1
624 . 1 1 55 55 PRO HB3 H 1 1.399 0.030 . 2 . . . . 55 PRO HB3 . 11242 1
625 . 1 1 55 55 PRO HD2 H 1 1.761 0.030 . 2 . . . . 55 PRO HD2 . 11242 1
626 . 1 1 55 55 PRO HD3 H 1 1.896 0.030 . 2 . . . . 55 PRO HD3 . 11242 1
627 . 1 1 55 55 PRO HG2 H 1 0.471 0.030 . 2 . . . . 55 PRO HG2 . 11242 1
628 . 1 1 55 55 PRO HG3 H 1 0.354 0.030 . 2 . . . . 55 PRO HG3 . 11242 1
629 . 1 1 55 55 PRO C C 13 175.608 0.300 . 1 . . . . 55 PRO C . 11242 1
630 . 1 1 55 55 PRO CA C 13 59.742 0.300 . 1 . . . . 55 PRO CA . 11242 1
631 . 1 1 55 55 PRO CB C 13 29.057 0.300 . 1 . . . . 55 PRO CB . 11242 1
632 . 1 1 55 55 PRO CD C 13 47.301 0.300 . 1 . . . . 55 PRO CD . 11242 1
633 . 1 1 55 55 PRO CG C 13 25.388 0.300 . 1 . . . . 55 PRO CG . 11242 1
634 . 1 1 56 56 ALA H H 1 7.837 0.030 . 1 . . . . 56 ALA H . 11242 1
635 . 1 1 56 56 ALA HA H 1 3.763 0.030 . 1 . . . . 56 ALA HA . 11242 1
636 . 1 1 56 56 ALA HB1 H 1 1.096 0.030 . 1 . . . . 56 ALA HB . 11242 1
637 . 1 1 56 56 ALA HB2 H 1 1.096 0.030 . 1 . . . . 56 ALA HB . 11242 1
638 . 1 1 56 56 ALA HB3 H 1 1.096 0.030 . 1 . . . . 56 ALA HB . 11242 1
639 . 1 1 56 56 ALA C C 13 176.451 0.300 . 1 . . . . 56 ALA C . 11242 1
640 . 1 1 56 56 ALA CA C 13 51.904 0.300 . 1 . . . . 56 ALA CA . 11242 1
641 . 1 1 56 56 ALA CB C 13 15.375 0.300 . 1 . . . . 56 ALA CB . 11242 1
642 . 1 1 56 56 ALA N N 15 125.052 0.300 . 1 . . . . 56 ALA N . 11242 1
643 . 1 1 57 57 ASN H H 1 8.448 0.030 . 1 . . . . 57 ASN H . 11242 1
644 . 1 1 57 57 ASN HA H 1 4.689 0.030 . 1 . . . . 57 ASN HA . 11242 1
645 . 1 1 57 57 ASN HB2 H 1 2.727 0.030 . 2 . . . . 57 ASN HB2 . 11242 1
646 . 1 1 57 57 ASN HB3 H 1 2.982 0.030 . 2 . . . . 57 ASN HB3 . 11242 1
647 . 1 1 57 57 ASN HD21 H 1 7.454 0.030 . 2 . . . . 57 ASN HD21 . 11242 1
648 . 1 1 57 57 ASN HD22 H 1 6.640 0.030 . 2 . . . . 57 ASN HD22 . 11242 1
649 . 1 1 57 57 ASN C C 13 172.966 0.300 . 1 . . . . 57 ASN C . 11242 1
650 . 1 1 57 57 ASN CA C 13 50.820 0.300 . 1 . . . . 57 ASN CA . 11242 1
651 . 1 1 57 57 ASN CB C 13 34.104 0.300 . 1 . . . . 57 ASN CB . 11242 1
652 . 1 1 57 57 ASN N N 15 111.016 0.300 . 1 . . . . 57 ASN N . 11242 1
653 . 1 1 57 57 ASN ND2 N 15 110.812 0.300 . 1 . . . . 57 ASN ND2 . 11242 1
654 . 1 1 58 58 TYR H H 1 7.618 0.030 . 1 . . . . 58 TYR H . 11242 1
655 . 1 1 58 58 TYR HA H 1 4.614 0.030 . 1 . . . . 58 TYR HA . 11242 1
656 . 1 1 58 58 TYR HB2 H 1 3.191 0.030 . 2 . . . . 58 TYR HB2 . 11242 1
657 . 1 1 58 58 TYR HB3 H 1 3.123 0.030 . 2 . . . . 58 TYR HB3 . 11242 1
658 . 1 1 58 58 TYR HD1 H 1 6.977 0.030 . 1 . . . . 58 TYR HD1 . 11242 1
659 . 1 1 58 58 TYR HD2 H 1 6.977 0.030 . 1 . . . . 58 TYR HD2 . 11242 1
660 . 1 1 58 58 TYR HE1 H 1 7.014 0.030 . 1 . . . . 58 TYR HE1 . 11242 1
661 . 1 1 58 58 TYR HE2 H 1 7.014 0.030 . 1 . . . . 58 TYR HE2 . 11242 1
662 . 1 1 58 58 TYR C C 13 172.675 0.300 . 1 . . . . 58 TYR C . 11242 1
663 . 1 1 58 58 TYR CA C 13 55.715 0.300 . 1 . . . . 58 TYR CA . 11242 1
664 . 1 1 58 58 TYR CB C 13 35.511 0.300 . 1 . . . . 58 TYR CB . 11242 1
665 . 1 1 58 58 TYR CD1 C 13 128.899 0.300 . 1 . . . . 58 TYR CD1 . 11242 1
666 . 1 1 58 58 TYR CD2 C 13 128.899 0.300 . 1 . . . . 58 TYR CD2 . 11242 1
667 . 1 1 58 58 TYR CE1 C 13 116.244 0.300 . 1 . . . . 58 TYR CE1 . 11242 1
668 . 1 1 58 58 TYR CE2 C 13 116.244 0.300 . 1 . . . . 58 TYR CE2 . 11242 1
669 . 1 1 58 58 TYR N N 15 118.245 0.300 . 1 . . . . 58 TYR N . 11242 1
670 . 1 1 59 59 VAL H H 1 7.204 0.030 . 1 . . . . 59 VAL H . 11242 1
671 . 1 1 59 59 VAL HA H 1 5.237 0.030 . 1 . . . . 59 VAL HA . 11242 1
672 . 1 1 59 59 VAL HB H 1 1.719 0.030 . 1 . . . . 59 VAL HB . 11242 1
673 . 1 1 59 59 VAL HG11 H 1 0.678 0.030 . 1 . . . . 59 VAL HG1 . 11242 1
674 . 1 1 59 59 VAL HG12 H 1 0.678 0.030 . 1 . . . . 59 VAL HG1 . 11242 1
675 . 1 1 59 59 VAL HG13 H 1 0.678 0.030 . 1 . . . . 59 VAL HG1 . 11242 1
676 . 1 1 59 59 VAL HG21 H 1 0.724 0.030 . 1 . . . . 59 VAL HG2 . 11242 1
677 . 1 1 59 59 VAL HG22 H 1 0.724 0.030 . 1 . . . . 59 VAL HG2 . 11242 1
678 . 1 1 59 59 VAL HG23 H 1 0.724 0.030 . 1 . . . . 59 VAL HG2 . 11242 1
679 . 1 1 59 59 VAL C C 13 171.384 0.300 . 1 . . . . 59 VAL C . 11242 1
680 . 1 1 59 59 VAL CA C 13 55.992 0.300 . 1 . . . . 59 VAL CA . 11242 1
681 . 1 1 59 59 VAL CB C 13 31.956 0.300 . 1 . . . . 59 VAL CB . 11242 1
682 . 1 1 59 59 VAL CG1 C 13 19.813 0.300 . 2 . . . . 59 VAL CG1 . 11242 1
683 . 1 1 59 59 VAL CG2 C 13 15.640 0.300 . 2 . . . . 59 VAL CG2 . 11242 1
684 . 1 1 59 59 VAL N N 15 109.428 0.300 . 1 . . . . 59 VAL N . 11242 1
685 . 1 1 60 60 GLU H H 1 8.704 0.030 . 1 . . . . 60 GLU H . 11242 1
686 . 1 1 60 60 GLU HA H 1 4.579 0.030 . 1 . . . . 60 GLU HA . 11242 1
687 . 1 1 60 60 GLU HB2 H 1 1.841 0.030 . 2 . . . . 60 GLU HB2 . 11242 1
688 . 1 1 60 60 GLU HB3 H 1 1.632 0.030 . 2 . . . . 60 GLU HB3 . 11242 1
689 . 1 1 60 60 GLU HG2 H 1 2.044 0.030 . 2 . . . . 60 GLU HG2 . 11242 1
690 . 1 1 60 60 GLU HG3 H 1 1.968 0.030 . 2 . . . . 60 GLU HG3 . 11242 1
691 . 1 1 60 60 GLU C C 13 172.870 0.300 . 1 . . . . 60 GLU C . 11242 1
692 . 1 1 60 60 GLU CA C 13 51.158 0.300 . 1 . . . . 60 GLU CA . 11242 1
693 . 1 1 60 60 GLU CB C 13 29.455 0.300 . 1 . . . . 60 GLU CB . 11242 1
694 . 1 1 60 60 GLU CG C 13 33.015 0.300 . 1 . . . . 60 GLU CG . 11242 1
695 . 1 1 60 60 GLU N N 15 121.494 0.300 . 1 . . . . 60 GLU N . 11242 1
696 . 1 1 61 61 VAL H H 1 8.732 0.030 . 1 . . . . 61 VAL H . 11242 1
697 . 1 1 61 61 VAL HA H 1 3.770 0.030 . 1 . . . . 61 VAL HA . 11242 1
698 . 1 1 61 61 VAL HB H 1 1.894 0.030 . 1 . . . . 61 VAL HB . 11242 1
699 . 1 1 61 61 VAL HG11 H 1 0.882 0.030 . 1 . . . . 61 VAL HG1 . 11242 1
700 . 1 1 61 61 VAL HG12 H 1 0.882 0.030 . 1 . . . . 61 VAL HG1 . 11242 1
701 . 1 1 61 61 VAL HG13 H 1 0.882 0.030 . 1 . . . . 61 VAL HG1 . 11242 1
702 . 1 1 61 61 VAL HG21 H 1 0.826 0.030 . 1 . . . . 61 VAL HG2 . 11242 1
703 . 1 1 61 61 VAL HG22 H 1 0.826 0.030 . 1 . . . . 61 VAL HG2 . 11242 1
704 . 1 1 61 61 VAL HG23 H 1 0.826 0.030 . 1 . . . . 61 VAL HG2 . 11242 1
705 . 1 1 61 61 VAL C C 13 173.801 0.300 . 1 . . . . 61 VAL C . 11242 1
706 . 1 1 61 61 VAL CA C 13 61.602 0.300 . 1 . . . . 61 VAL CA . 11242 1
707 . 1 1 61 61 VAL CB C 13 29.100 0.300 . 1 . . . . 61 VAL CB . 11242 1
708 . 1 1 61 61 VAL CG1 C 13 19.090 0.300 . 2 . . . . 61 VAL CG1 . 11242 1
709 . 1 1 61 61 VAL CG2 C 13 19.090 0.300 . 2 . . . . 61 VAL CG2 . 11242 1
710 . 1 1 61 61 VAL N N 15 126.753 0.300 . 1 . . . . 61 VAL N . 11242 1
711 . 1 1 62 62 LEU H H 1 8.437 0.030 . 1 . . . . 62 LEU H . 11242 1
712 . 1 1 62 62 LEU HA H 1 4.324 0.030 . 1 . . . . 62 LEU HA . 11242 1
713 . 1 1 62 62 LEU HB2 H 1 1.447 0.030 . 1 . . . . 62 LEU HB2 . 11242 1
714 . 1 1 62 62 LEU HB3 H 1 1.447 0.030 . 1 . . . . 62 LEU HB3 . 11242 1
715 . 1 1 62 62 LEU HD21 H 1 0.638 0.030 . 1 . . . . 62 LEU HD2 . 11242 1
716 . 1 1 62 62 LEU HD22 H 1 0.638 0.030 . 1 . . . . 62 LEU HD2 . 11242 1
717 . 1 1 62 62 LEU HD23 H 1 0.638 0.030 . 1 . . . . 62 LEU HD2 . 11242 1
718 . 1 1 62 62 LEU HG H 1 1.433 0.030 . 1 . . . . 62 LEU HG . 11242 1
719 . 1 1 62 62 LEU C C 13 174.477 0.300 . 1 . . . . 62 LEU C . 11242 1
720 . 1 1 62 62 LEU CA C 13 52.298 0.300 . 1 . . . . 62 LEU CA . 11242 1
721 . 1 1 62 62 LEU CB C 13 38.916 0.300 . 1 . . . . 62 LEU CB . 11242 1
722 . 1 1 62 62 LEU CD1 C 13 22.443 0.300 . 2 . . . . 62 LEU CD1 . 11242 1
723 . 1 1 62 62 LEU CD2 C 13 19.973 0.300 . 2 . . . . 62 LEU CD2 . 11242 1
724 . 1 1 62 62 LEU CG C 13 24.386 0.300 . 1 . . . . 62 LEU CG . 11242 1
725 . 1 1 62 62 LEU N N 15 128.766 0.300 . 1 . . . . 62 LEU N . 11242 1
726 . 1 1 63 63 SER H H 1 8.269 0.030 . 1 . . . . 63 SER H . 11242 1
727 . 1 1 63 63 SER HA H 1 4.450 0.030 . 1 . . . . 63 SER HA . 11242 1
728 . 1 1 63 63 SER HB2 H 1 3.799 0.030 . 1 . . . . 63 SER HB2 . 11242 1
729 . 1 1 63 63 SER HB3 H 1 3.799 0.030 . 1 . . . . 63 SER HB3 . 11242 1
730 . 1 1 63 63 SER C C 13 171.846 0.300 . 1 . . . . 63 SER C . 11242 1
731 . 1 1 63 63 SER CA C 13 55.530 0.300 . 1 . . . . 63 SER CA . 11242 1
732 . 1 1 63 63 SER CB C 13 61.252 0.300 . 1 . . . . 63 SER CB . 11242 1
733 . 1 1 63 63 SER N N 15 116.389 0.300 . 1 . . . . 63 SER N . 11242 1
734 . 1 1 64 64 GLY H H 1 8.155 0.030 . 1 . . . . 64 GLY H . 11242 1
735 . 1 1 64 64 GLY HA2 H 1 4.043 0.030 . 2 . . . . 64 GLY HA2 . 11242 1
736 . 1 1 64 64 GLY HA3 H 1 4.127 0.030 . 2 . . . . 64 GLY HA3 . 11242 1
737 . 1 1 64 64 GLY C C 13 169.178 0.300 . 1 . . . . 64 GLY C . 11242 1
738 . 1 1 64 64 GLY CA C 13 42.075 0.300 . 1 . . . . 64 GLY CA . 11242 1
739 . 1 1 64 64 GLY N N 15 110.511 0.300 . 1 . . . . 64 GLY N . 11242 1
740 . 1 1 65 65 PRO HA H 1 4.405 0.030 . 1 . . . . 65 PRO HA . 11242 1
741 . 1 1 65 65 PRO HB2 H 1 2.219 0.030 . 2 . . . . 65 PRO HB2 . 11242 1
742 . 1 1 65 65 PRO HB3 H 1 1.904 0.030 . 2 . . . . 65 PRO HB3 . 11242 1
743 . 1 1 65 65 PRO HD2 H 1 3.559 0.030 . 1 . . . . 65 PRO HD2 . 11242 1
744 . 1 1 65 65 PRO HD3 H 1 3.559 0.030 . 1 . . . . 65 PRO HD3 . 11242 1
745 . 1 1 65 65 PRO HG2 H 1 1.943 0.030 . 1 . . . . 65 PRO HG2 . 11242 1
746 . 1 1 65 65 PRO HG3 H 1 1.943 0.030 . 1 . . . . 65 PRO HG3 . 11242 1
747 . 1 1 65 65 PRO C C 13 174.742 0.300 . 1 . . . . 65 PRO C . 11242 1
748 . 1 1 65 65 PRO CA C 13 60.664 0.300 . 1 . . . . 65 PRO CA . 11242 1
749 . 1 1 65 65 PRO CB C 13 29.588 0.300 . 1 . . . . 65 PRO CB . 11242 1
750 . 1 1 65 65 PRO CD C 13 47.162 0.300 . 1 . . . . 65 PRO CD . 11242 1
751 . 1 1 65 65 PRO CG C 13 24.577 0.300 . 1 . . . . 65 PRO CG . 11242 1
752 . 1 1 66 66 SER H H 1 8.418 0.030 . 1 . . . . 66 SER H . 11242 1
753 . 1 1 66 66 SER HA H 1 4.404 0.030 . 1 . . . . 66 SER HA . 11242 1
754 . 1 1 66 66 SER HB2 H 1 3.846 0.030 . 1 . . . . 66 SER HB2 . 11242 1
755 . 1 1 66 66 SER HB3 H 1 3.846 0.030 . 1 . . . . 66 SER HB3 . 11242 1
756 . 1 1 66 66 SER C C 13 171.971 0.300 . 1 . . . . 66 SER C . 11242 1
757 . 1 1 66 66 SER CA C 13 55.644 0.300 . 1 . . . . 66 SER CA . 11242 1
758 . 1 1 66 66 SER CB C 13 61.054 0.300 . 1 . . . . 66 SER CB . 11242 1
759 . 1 1 66 66 SER N N 15 116.172 0.300 . 1 . . . . 66 SER N . 11242 1
760 . 1 1 67 67 SER H H 1 8.213 0.030 . 1 . . . . 67 SER H . 11242 1
761 . 1 1 67 67 SER HA H 1 4.443 0.030 . 1 . . . . 67 SER HA . 11242 1
762 . 1 1 67 67 SER HB2 H 1 3.816 0.030 . 1 . . . . 67 SER HB2 . 11242 1
763 . 1 1 67 67 SER HB3 H 1 3.816 0.030 . 1 . . . . 67 SER HB3 . 11242 1
764 . 1 1 67 67 SER C C 13 171.245 0.300 . 1 . . . . 67 SER C . 11242 1
765 . 1 1 67 67 SER CA C 13 55.776 0.300 . 1 . . . . 67 SER CA . 11242 1
766 . 1 1 67 67 SER CB C 13 61.516 0.300 . 1 . . . . 67 SER CB . 11242 1
767 . 1 1 67 67 SER N N 15 117.682 0.300 . 1 . . . . 67 SER N . 11242 1
768 . 1 1 68 68 GLY H H 1 7.943 0.030 . 1 . . . . 68 GLY H . 11242 1
769 . 1 1 68 68 GLY HA2 H 1 3.700 0.030 . 1 . . . . 68 GLY HA2 . 11242 1
770 . 1 1 68 68 GLY HA3 H 1 3.700 0.030 . 1 . . . . 68 GLY HA3 . 11242 1
771 . 1 1 68 68 GLY C C 13 176.369 0.300 . 1 . . . . 68 GLY C . 11242 1
772 . 1 1 68 68 GLY CA C 13 43.586 0.300 . 1 . . . . 68 GLY CA . 11242 1
773 . 1 1 68 68 GLY N N 15 116.708 0.300 . 1 . . . . 68 GLY N . 11242 1
stop_
save_