data_19552
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 19552
_Entry.Title
;
Solution structure of Blo t 19, a minor dust mite allergen from Blomia tropicalis.
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2013-10-15
_Entry.Accession_date 2013-10-15
_Entry.Last_release_date 2014-11-17
_Entry.Original_release_date 2014-11-17
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details
;
The data from this entry were used to determine structure of Blo t 19. Due to
Proline isomerization, Blo t 19 spectrum has degenerate resonances for a stretch
of six residues in its C-terminus. These two populations have varying
intensities and are unambiguously assigned as major and minor population.
Solution structure is calculated for the Major population.
;
_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 Mandar Naik . T . 19552
2 Nandita Naik . . . 19552
3 Tai-huang Huang . . . 19552
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' . 19552
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
Allergen . 19552
'Anti-microbial Protein' . 19552
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 2 19552
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 270 19552
'15N chemical shifts' 82 19552
'1H chemical shifts' 432 19552
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 . . 2014-11-17 2013-10-12 original author . 19552
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 19553 'Blo 1 12 CBD domain' 19552
PDB 2mfj 'BMRB Entry Tracking System' 19552
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 19552
_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 Blo 1 19'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Not known'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Mandar Naik . . . 19552 1
2 Nandita Naik . . . 19552 1
3 I-Chun Kuo . . . 19552 1
4 You-Di Liao . . . 19552 1
5 Tai-huang Huang . . . 19552 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 19552
_Assembly.ID 1
_Assembly.Name 'Blo t 19, a minor dust mite allergen from Blomia tropicalis'
_Assembly.BMRB_code .
_Assembly.Number_of_components 2
_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 'Blo t 19, major conformer' 1 $Blo_t_19 A . yes native no no . . . 19552 1
2 'Blo t 19, minor conformer' 1 $Blo_t_19 B . yes native no no . . . 19552 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 40 40 SG . . . . . . . . . . 19552 1
2 disulfide single . 1 . 1 CYS 26 26 SG . 1 . 1 CYS 49 49 SG . . . . . . . . . . 19552 1
3 disulfide single . 1 . 1 CYS 30 30 SG . 1 . 1 CYS 51 51 SG . . . . . . . . . . 19552 1
4 disulfide single . 1 . 1 CYS 35 35 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . 19552 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_Blo_t_19
_Entity.Sf_category entity
_Entity.Sf_framecode Blo_t_19
_Entity.Entry_ID 19552
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name Blo_t_19
_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
;
GSALDFTSCARMNDGALGAK
VAQAACISSCKFQNCGTGHC
ERRGGRPTCVCSRCGNGGGE
WPNLPSRG
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details 'Residue 1 and 2 represent a non-native tag.'
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 68
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all disulfide bound'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 6945.848
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
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 PDB 2MFJ . "Solution Structure Of Blo T 19, A Minor Dust Mite Allergen From Blomia Tropicalis" . . . . . 100.00 68 100.00 100.00 8.47e-40 . . . . 19552 1
2 no GB AHG97583 . "Blo t 19 allergen, partial [Blomia tropicalis]" . . . . . 97.06 70 100.00 100.00 1.23e-38 . . . . 19552 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 . 19552 1
2 . SER . 19552 1
3 . ALA . 19552 1
4 . LEU . 19552 1
5 . ASP . 19552 1
6 . PHE . 19552 1
7 . THR . 19552 1
8 . SER . 19552 1
9 . CYS . 19552 1
10 . ALA . 19552 1
11 . ARG . 19552 1
12 . MET . 19552 1
13 . ASN . 19552 1
14 . ASP . 19552 1
15 . GLY . 19552 1
16 . ALA . 19552 1
17 . LEU . 19552 1
18 . GLY . 19552 1
19 . ALA . 19552 1
20 . LYS . 19552 1
21 . VAL . 19552 1
22 . ALA . 19552 1
23 . GLN . 19552 1
24 . ALA . 19552 1
25 . ALA . 19552 1
26 . CYS . 19552 1
27 . ILE . 19552 1
28 . SER . 19552 1
29 . SER . 19552 1
30 . CYS . 19552 1
31 . LYS . 19552 1
32 . PHE . 19552 1
33 . GLN . 19552 1
34 . ASN . 19552 1
35 . CYS . 19552 1
36 . GLY . 19552 1
37 . THR . 19552 1
38 . GLY . 19552 1
39 . HIS . 19552 1
40 . CYS . 19552 1
41 . GLU . 19552 1
42 . ARG . 19552 1
43 . ARG . 19552 1
44 . GLY . 19552 1
45 . GLY . 19552 1
46 . ARG . 19552 1
47 . PRO . 19552 1
48 . THR . 19552 1
49 . CYS . 19552 1
50 . VAL . 19552 1
51 . CYS . 19552 1
52 . SER . 19552 1
53 . ARG . 19552 1
54 . CYS . 19552 1
55 . GLY . 19552 1
56 . ASN . 19552 1
57 . GLY . 19552 1
58 . GLY . 19552 1
59 . GLY . 19552 1
60 . GLU . 19552 1
61 . TRP . 19552 1
62 . PRO . 19552 1
63 . ASN . 19552 1
64 . LEU . 19552 1
65 . PRO . 19552 1
66 . SER . 19552 1
67 . ARG . 19552 1
68 . GLY . 19552 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 19552 1
. SER 2 2 19552 1
. ALA 3 3 19552 1
. LEU 4 4 19552 1
. ASP 5 5 19552 1
. PHE 6 6 19552 1
. THR 7 7 19552 1
. SER 8 8 19552 1
. CYS 9 9 19552 1
. ALA 10 10 19552 1
. ARG 11 11 19552 1
. MET 12 12 19552 1
. ASN 13 13 19552 1
. ASP 14 14 19552 1
. GLY 15 15 19552 1
. ALA 16 16 19552 1
. LEU 17 17 19552 1
. GLY 18 18 19552 1
. ALA 19 19 19552 1
. LYS 20 20 19552 1
. VAL 21 21 19552 1
. ALA 22 22 19552 1
. GLN 23 23 19552 1
. ALA 24 24 19552 1
. ALA 25 25 19552 1
. CYS 26 26 19552 1
. ILE 27 27 19552 1
. SER 28 28 19552 1
. SER 29 29 19552 1
. CYS 30 30 19552 1
. LYS 31 31 19552 1
. PHE 32 32 19552 1
. GLN 33 33 19552 1
. ASN 34 34 19552 1
. CYS 35 35 19552 1
. GLY 36 36 19552 1
. THR 37 37 19552 1
. GLY 38 38 19552 1
. HIS 39 39 19552 1
. CYS 40 40 19552 1
. GLU 41 41 19552 1
. ARG 42 42 19552 1
. ARG 43 43 19552 1
. GLY 44 44 19552 1
. GLY 45 45 19552 1
. ARG 46 46 19552 1
. PRO 47 47 19552 1
. THR 48 48 19552 1
. CYS 49 49 19552 1
. VAL 50 50 19552 1
. CYS 51 51 19552 1
. SER 52 52 19552 1
. ARG 53 53 19552 1
. CYS 54 54 19552 1
. GLY 55 55 19552 1
. ASN 56 56 19552 1
. GLY 57 57 19552 1
. GLY 58 58 19552 1
. GLY 59 59 19552 1
. GLU 60 60 19552 1
. TRP 61 61 19552 1
. PRO 62 62 19552 1
. ASN 63 63 19552 1
. LEU 64 64 19552 1
. PRO 65 65 19552 1
. SER 66 66 19552 1
. ARG 67 67 19552 1
. GLY 68 68 19552 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 19552
_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 $Blo_t_19 . 40697 organism . 'Blomia tropicalis' 'Storage mite' . . Eukaryota Metazoa Blomia tropicalis . . . . . . . . . . . . . . . . 'Blo t 19' . 'House dust mite Blomia tropicalis (Taxon identifier 40697)' . . 19552 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 19552
_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 $Blo_t_19 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 BL21(DE3) . . . . . . . . . . . . . . pGEX4T-1 . . . 'Protein was expressed as GST-fusion and purified by affinity chromatography. It was refolded by glutathione redox couple, subject to proteolysis and finally separated from GST by gel filtration.' . . 19552 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_CN
_Sample.Sf_category sample
_Sample.Sf_framecode CN
_Sample.Entry_ID 19552
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '13C, 15N Blo t 19'
_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 'Blo t 19' '[U-100% 13C; U-100% 15N]' . . 1 $Blo_t_19 . . 1 . . mM 0.05 . . . 19552 1
2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 19552 1
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 19552 1
4 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 19552 1
5 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 19552 1
stop_
save_
save_N
_Sample.Sf_category sample
_Sample.Sf_framecode N
_Sample.Entry_ID 19552
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '15N Blo t 19'
_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 'Blo t 19' '[U-100% 15N]' . . 1 $Blo_t_19 . . 1 . . mM 0.05 . . . 19552 2
2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 19552 2
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 19552 2
4 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 19552 2
5 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 19552 2
stop_
save_
save_Unlabeled
_Sample.Sf_category sample
_Sample.Sf_framecode Unlabeled
_Sample.Entry_ID 19552
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details 'Blo t 19'
_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 'Blo t 19' 'natural abundance' . . 1 $Blo_t_19 . . 1 . . mM 0.05 . . . 19552 3
2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 19552 3
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 19552 3
4 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 19552 3
5 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 19552 3
stop_
save_
save_Phage
_Sample.Sf_category sample
_Sample.Sf_framecode Phage
_Sample.Entry_ID 19552
_Sample.ID 4
_Sample.Type 'filamentous virus'
_Sample.Sub_type .
_Sample.Details '15N Blo t 19 in Pf1 phage alignment medium.'
_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 'Blo t 19' '[U-100% 15N]' . . 1 $Blo_t_19 . . 1 . . mM 0.05 . . . 19552 4
2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 19552 4
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 19552 4
4 'Pf1 phage' 'natural abundance' . . . . . . 15 . . mg/ml 0.1 . . . 19552 4
5 H2O 'natural abundance' . . . . . . 90 . . % 0.1 . . . 19552 4
6 D2O 'natural abundance' . . . . . . 10 . . % 0.1 . . . 19552 4
stop_
save_
#######################
# Sample conditions #
#######################
save_Default
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode Default
_Sample_condition_list.Entry_ID 19552
_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
pH 6.0 0.1 pH 19552 1
pressure 1 . atm 19552 1
temperature 295 0.1 K 19552 1
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Software.Sf_category software
_Software.Sf_framecode TOPSPIN
_Software.Entry_ID 19552
_Software.ID 1
_Software.Name TOPSPIN
_Software.Version 3.0
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 19552 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 19552 1
processing 19552 1
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 19552
_Software.ID 2
_Software.Name SPARKY
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 19552 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 19552 2
'peak picking' 19552 2
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 19552
_Software.ID 3
_Software.Name CYANA
_Software.Version 3.9
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 19552 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'geometry optimization' 19552 3
'structure solution' 19552 3
stop_
save_
save_PSVS
_Software.Sf_category software
_Software.Sf_framecode PSVS
_Software.Entry_ID 19552
_Software.ID 4
_Software.Name PSVS
_Software.Version 1.5
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bhattacharya and Montelione' . . 19552 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
validation 19552 4
stop_
save_
save_X-PLOR_NIH
_Software.Sf_category software
_Software.Sf_framecode X-PLOR_NIH
_Software.Entry_ID 19552
_Software.ID 5
_Software.Name 'X-PLOR NIH'
_Software.Version 2.34
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . 19552 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 19552 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 19552
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 19552
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_3
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_3
_NMR_spectrometer.Entry_ID 19552
_NMR_spectrometer.ID 3
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_spectrometer_4
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_4
_NMR_spectrometer.Entry_ID 19552
_NMR_spectrometer.ID 4
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 850
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 19552
_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 Bruker Avance . 500 . . . 19552 1
2 spectrometer_2 Bruker Avance . 600 . . . 19552 1
3 spectrometer_3 Bruker Avance . 800 . . . 19552 1
4 spectrometer_4 Bruker Avance . 850 . . . 19552 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 19552
_Experiment_list.ID 1
_Experiment_list.Details 'NMR data was acquired at 295K using Shigemi NMR tubes.'
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 . . . . . . . . . . 2 $N isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1
3 '3D HNCO' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1
4 '3D HN(CA)CO' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1
5 '3D HNCA' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1
6 '3D HNCACB' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1
7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1
8 '3D HNHA' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1
9 '3D HCCH-COSY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19552 1
10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19552 1
11 2D-hbCBcgcdHD no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1
12 2D-hbCBcgcdceHE no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1
13 2D-TOCSY no . . . . . . . . . . 3 $Unlabeled isotropic . . 1 $Default . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19552 1
14 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $N isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19552 1
15 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $Unlabeled isotropic . . 1 $Default . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19552 1
16 '3D 1H-13C NOESYHSQC' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19552 1
17 '3D 1H-15N NOESYHSQC' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19552 1
18 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 4 $Phage anisotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19552 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 19552
_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 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 19552 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 19552 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 19552 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_Major_Conformer
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Major_Conformer
_Assigned_chem_shift_list.Entry_ID 19552
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Default
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.4
_Assigned_chem_shift_list.Chem_shift_15N_err 0.4
_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 'Tolerance value used in automated NOESY assignments.'
_Assigned_chem_shift_list.Details 'Resonance for residues between 59 to 64 were degenerate. The strong intensity population is called Major Conformer.'
_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' . . . 19552 1
3 '3D HNCO' . . . 19552 1
4 '3D HN(CA)CO' . . . 19552 1
5 '3D HNCA' . . . 19552 1
6 '3D HNCACB' . . . 19552 1
7 '3D CBCA(CO)NH' . . . 19552 1
9 '3D HCCH-COSY' . . . 19552 1
10 '3D HCCH-TOCSY' . . . 19552 1
11 2D-hbCBcgcdHD . . . 19552 1
12 2D-hbCBcgcdceHE . . . 19552 1
14 '3D 1H-15N TOCSY' . . . 19552 1
16 '3D 1H-13C NOESYHSQC' . . . 19552 1
17 '3D 1H-15N NOESYHSQC' . . . 19552 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 3.944 0.020 . 2 . . . A 1 GLY HA2 . 19552 1
2 . 1 1 1 1 GLY HA3 H 1 3.944 0.020 . 2 . . . A 1 GLY HA3 . 19552 1
3 . 1 1 1 1 GLY C C 13 170.238 0.400 . 1 . . . A 1 GLY C . 19552 1
4 . 1 1 1 1 GLY CA C 13 43.504 0.400 . 1 . . . A 1 GLY CA . 19552 1
5 . 1 1 2 2 SER H H 1 8.666 0.020 . 1 . . . A 2 SER H . 19552 1
6 . 1 1 2 2 SER HA H 1 4.612 0.020 . 1 . . . A 2 SER HA . 19552 1
7 . 1 1 2 2 SER HB2 H 1 3.884 0.020 . 2 . . . A 2 SER HB2 . 19552 1
8 . 1 1 2 2 SER HB3 H 1 3.884 0.020 . 2 . . . A 2 SER HB3 . 19552 1
9 . 1 1 2 2 SER C C 13 173.852 0.400 . 1 . . . A 2 SER C . 19552 1
10 . 1 1 2 2 SER CA C 13 58.197 0.400 . 1 . . . A 2 SER CA . 19552 1
11 . 1 1 2 2 SER CB C 13 64.529 0.400 . 1 . . . A 2 SER CB . 19552 1
12 . 1 1 2 2 SER N N 15 115.948 0.400 . 1 . . . A 2 SER N . 19552 1
13 . 1 1 3 3 ALA H H 1 8.433 0.020 . 1 . . . A 3 ALA H . 19552 1
14 . 1 1 3 3 ALA HA H 1 4.442 0.020 . 1 . . . A 3 ALA HA . 19552 1
15 . 1 1 3 3 ALA HB1 H 1 1.383 0.020 . 1 . . . A 3 ALA HB1 . 19552 1
16 . 1 1 3 3 ALA HB2 H 1 1.383 0.020 . 1 . . . A 3 ALA HB2 . 19552 1
17 . 1 1 3 3 ALA HB3 H 1 1.383 0.020 . 1 . . . A 3 ALA HB3 . 19552 1
18 . 1 1 3 3 ALA C C 13 176.714 0.400 . 1 . . . A 3 ALA C . 19552 1
19 . 1 1 3 3 ALA CA C 13 52.473 0.400 . 1 . . . A 3 ALA CA . 19552 1
20 . 1 1 3 3 ALA CB C 13 19.661 0.400 . 1 . . . A 3 ALA CB . 19552 1
21 . 1 1 3 3 ALA N N 15 126.294 0.400 . 1 . . . A 3 ALA N . 19552 1
22 . 1 1 4 4 LEU H H 1 8.165 0.020 . 1 . . . A 4 LEU H . 19552 1
23 . 1 1 4 4 LEU HA H 1 4.567 0.020 . 1 . . . A 4 LEU HA . 19552 1
24 . 1 1 4 4 LEU HB2 H 1 1.102 0.020 . 2 . . . A 4 LEU HB2 . 19552 1
25 . 1 1 4 4 LEU HB3 H 1 1.450 0.020 . 2 . . . A 4 LEU HB3 . 19552 1
26 . 1 1 4 4 LEU HG H 1 1.569 0.020 . 1 . . . A 4 LEU HG . 19552 1
27 . 1 1 4 4 LEU HD11 H 1 0.889 0.020 . 2 . . . A 4 LEU HD11 . 19552 1
28 . 1 1 4 4 LEU HD12 H 1 0.889 0.020 . 2 . . . A 4 LEU HD12 . 19552 1
29 . 1 1 4 4 LEU HD13 H 1 0.889 0.020 . 2 . . . A 4 LEU HD13 . 19552 1
30 . 1 1 4 4 LEU HD21 H 1 0.856 0.020 . 2 . . . A 4 LEU HD21 . 19552 1
31 . 1 1 4 4 LEU HD22 H 1 0.856 0.020 . 2 . . . A 4 LEU HD22 . 19552 1
32 . 1 1 4 4 LEU HD23 H 1 0.856 0.020 . 2 . . . A 4 LEU HD23 . 19552 1
33 . 1 1 4 4 LEU C C 13 176.271 0.400 . 1 . . . A 4 LEU C . 19552 1
34 . 1 1 4 4 LEU CA C 13 54.564 0.400 . 1 . . . A 4 LEU CA . 19552 1
35 . 1 1 4 4 LEU CB C 13 43.766 0.400 . 1 . . . A 4 LEU CB . 19552 1
36 . 1 1 4 4 LEU CG C 13 26.928 0.400 . 1 . . . A 4 LEU CG . 19552 1
37 . 1 1 4 4 LEU CD1 C 13 25.351 0.400 . 1 . . . A 4 LEU CD1 . 19552 1
38 . 1 1 4 4 LEU CD2 C 13 24.239 0.400 . 1 . . . A 4 LEU CD2 . 19552 1
39 . 1 1 4 4 LEU N N 15 121.327 0.400 . 1 . . . A 4 LEU N . 19552 1
40 . 1 1 5 5 ASP H H 1 8.097 0.020 . 1 . . . A 5 ASP H . 19552 1
41 . 1 1 5 5 ASP HA H 1 4.621 0.020 . 1 . . . A 5 ASP HA . 19552 1
42 . 1 1 5 5 ASP HB2 H 1 2.790 0.020 . 2 . . . A 5 ASP HB2 . 19552 1
43 . 1 1 5 5 ASP HB3 H 1 2.710 0.020 . 2 . . . A 5 ASP HB3 . 19552 1
44 . 1 1 5 5 ASP C C 13 176.301 0.400 . 1 . . . A 5 ASP C . 19552 1
45 . 1 1 5 5 ASP CA C 13 53.098 0.400 . 1 . . . A 5 ASP CA . 19552 1
46 . 1 1 5 5 ASP CB C 13 42.169 0.400 . 1 . . . A 5 ASP CB . 19552 1
47 . 1 1 5 5 ASP N N 15 119.103 0.400 . 1 . . . A 5 ASP N . 19552 1
48 . 1 1 6 6 PHE H H 1 8.841 0.020 . 1 . . . A 6 PHE H . 19552 1
49 . 1 1 6 6 PHE HA H 1 5.139 0.020 . 1 . . . A 6 PHE HA . 19552 1
50 . 1 1 6 6 PHE HB2 H 1 2.873 0.020 . 2 . . . A 6 PHE HB2 . 19552 1
51 . 1 1 6 6 PHE HB3 H 1 3.598 0.020 . 2 . . . A 6 PHE HB3 . 19552 1
52 . 1 1 6 6 PHE HD1 H 1 7.240 0.020 . 1 . . . A 6 PHE HD1 . 19552 1
53 . 1 1 6 6 PHE HD2 H 1 7.240 0.020 . 1 . . . A 6 PHE HD2 . 19552 1
54 . 1 1 6 6 PHE HE1 H 1 7.353 0.020 . 1 . . . A 6 PHE HE1 . 19552 1
55 . 1 1 6 6 PHE HE2 H 1 7.353 0.020 . 1 . . . A 6 PHE HE2 . 19552 1
56 . 1 1 6 6 PHE HZ H 1 7.257 0.020 . 1 . . . A 6 PHE HZ . 19552 1
57 . 1 1 6 6 PHE C C 13 176.266 0.400 . 1 . . . A 6 PHE C . 19552 1
58 . 1 1 6 6 PHE CA C 13 57.768 0.400 . 1 . . . A 6 PHE CA . 19552 1
59 . 1 1 6 6 PHE CB C 13 39.425 0.400 . 1 . . . A 6 PHE CB . 19552 1
60 . 1 1 6 6 PHE CD1 C 13 131.624 0.400 . 1 . . . A 6 PHE CD1 . 19552 1
61 . 1 1 6 6 PHE CD2 C 13 131.624 0.400 . 1 . . . A 6 PHE CD2 . 19552 1
62 . 1 1 6 6 PHE CE1 C 13 129.603 0.400 . 1 . . . A 6 PHE CE1 . 19552 1
63 . 1 1 6 6 PHE CE2 C 13 129.603 0.400 . 1 . . . A 6 PHE CE2 . 19552 1
64 . 1 1 6 6 PHE CZ C 13 129.535 0.400 . 1 . . . A 6 PHE CZ . 19552 1
65 . 1 1 6 6 PHE N N 15 123.716 0.400 . 1 . . . A 6 PHE N . 19552 1
66 . 1 1 7 7 THR H H 1 8.809 0.020 . 1 . . . A 7 THR H . 19552 1
67 . 1 1 7 7 THR HA H 1 4.590 0.020 . 1 . . . A 7 THR HA . 19552 1
68 . 1 1 7 7 THR HB H 1 4.241 0.020 . 1 . . . A 7 THR HB . 19552 1
69 . 1 1 7 7 THR HG21 H 1 1.254 0.020 . 1 . . . A 7 THR HG21 . 19552 1
70 . 1 1 7 7 THR HG22 H 1 1.254 0.020 . 1 . . . A 7 THR HG22 . 19552 1
71 . 1 1 7 7 THR HG23 H 1 1.254 0.020 . 1 . . . A 7 THR HG23 . 19552 1
72 . 1 1 7 7 THR C C 13 177.294 0.400 . 1 . . . A 7 THR C . 19552 1
73 . 1 1 7 7 THR CA C 13 63.423 0.400 . 1 . . . A 7 THR CA . 19552 1
74 . 1 1 7 7 THR CB C 13 70.175 0.400 . 1 . . . A 7 THR CB . 19552 1
75 . 1 1 7 7 THR CG2 C 13 21.761 0.400 . 1 . . . A 7 THR CG2 . 19552 1
76 . 1 1 7 7 THR N N 15 114.338 0.400 . 1 . . . A 7 THR N . 19552 1
77 . 1 1 8 8 SER H H 1 9.657 0.020 . 1 . . . A 8 SER H . 19552 1
78 . 1 1 8 8 SER HA H 1 4.158 0.020 . 1 . . . A 8 SER HA . 19552 1
79 . 1 1 8 8 SER HB2 H 1 3.676 0.020 . 2 . . . A 8 SER HB2 . 19552 1
80 . 1 1 8 8 SER HB3 H 1 3.676 0.020 . 2 . . . A 8 SER HB3 . 19552 1
81 . 1 1 8 8 SER C C 13 175.146 0.400 . 1 . . . A 8 SER C . 19552 1
82 . 1 1 8 8 SER CA C 13 62.906 0.400 . 1 . . . A 8 SER CA . 19552 1
83 . 1 1 8 8 SER CB C 13 62.807 0.400 . 1 . . . A 8 SER CB . 19552 1
84 . 1 1 8 8 SER N N 15 122.221 0.400 . 1 . . . A 8 SER N . 19552 1
85 . 1 1 9 9 CYS H H 1 8.694 0.020 . 1 . . . A 9 CYS H . 19552 1
86 . 1 1 9 9 CYS HA H 1 4.748 0.020 . 1 . . . A 9 CYS HA . 19552 1
87 . 1 1 9 9 CYS HB2 H 1 2.641 0.020 . 2 . . . A 9 CYS HB2 . 19552 1
88 . 1 1 9 9 CYS HB3 H 1 3.496 0.020 . 2 . . . A 9 CYS HB3 . 19552 1
89 . 1 1 9 9 CYS C C 13 174.389 0.400 . 1 . . . A 9 CYS C . 19552 1
90 . 1 1 9 9 CYS CA C 13 57.155 0.400 . 1 . . . A 9 CYS CA . 19552 1
91 . 1 1 9 9 CYS CB C 13 41.841 0.400 . 1 . . . A 9 CYS CB . 19552 1
92 . 1 1 9 9 CYS N N 15 113.381 0.400 . 1 . . . A 9 CYS N . 19552 1
93 . 1 1 10 10 ALA H H 1 7.344 0.020 . 1 . . . A 10 ALA H . 19552 1
94 . 1 1 10 10 ALA HA H 1 3.934 0.020 . 1 . . . A 10 ALA HA . 19552 1
95 . 1 1 10 10 ALA HB1 H 1 1.615 0.020 . 1 . . . A 10 ALA HB1 . 19552 1
96 . 1 1 10 10 ALA HB2 H 1 1.615 0.020 . 1 . . . A 10 ALA HB2 . 19552 1
97 . 1 1 10 10 ALA HB3 H 1 1.615 0.020 . 1 . . . A 10 ALA HB3 . 19552 1
98 . 1 1 10 10 ALA C C 13 179.432 0.400 . 1 . . . A 10 ALA C . 19552 1
99 . 1 1 10 10 ALA CA C 13 56.491 0.400 . 1 . . . A 10 ALA CA . 19552 1
100 . 1 1 10 10 ALA CB C 13 19.361 0.400 . 1 . . . A 10 ALA CB . 19552 1
101 . 1 1 10 10 ALA N N 15 123.467 0.400 . 1 . . . A 10 ALA N . 19552 1
102 . 1 1 11 11 ARG H H 1 9.161 0.020 . 1 . . . A 11 ARG H . 19552 1
103 . 1 1 11 11 ARG HA H 1 4.425 0.020 . 1 . . . A 11 ARG HA . 19552 1
104 . 1 1 11 11 ARG HB2 H 1 2.322 0.020 . 2 . . . A 11 ARG HB2 . 19552 1
105 . 1 1 11 11 ARG HB3 H 1 2.322 0.020 . 2 . . . A 11 ARG HB3 . 19552 1
106 . 1 1 11 11 ARG HG2 H 1 1.711 0.020 . 2 . . . A 11 ARG HG2 . 19552 1
107 . 1 1 11 11 ARG HG3 H 1 1.711 0.020 . 2 . . . A 11 ARG HG3 . 19552 1
108 . 1 1 11 11 ARG HD2 H 1 3.154 0.020 . 2 . . . A 11 ARG HD2 . 19552 1
109 . 1 1 11 11 ARG HD3 H 1 3.154 0.020 . 2 . . . A 11 ARG HD3 . 19552 1
110 . 1 1 11 11 ARG HE H 1 7.809 0.020 . 1 . . . A 11 ARG HE . 19552 1
111 . 1 1 11 11 ARG C C 13 177.471 0.400 . 1 . . . A 11 ARG C . 19552 1
112 . 1 1 11 11 ARG CA C 13 56.619 0.400 . 1 . . . A 11 ARG CA . 19552 1
113 . 1 1 11 11 ARG CB C 13 29.728 0.400 . 1 . . . A 11 ARG CB . 19552 1
114 . 1 1 11 11 ARG CG C 13 27.212 0.400 . 1 . . . A 11 ARG CG . 19552 1
115 . 1 1 11 11 ARG CD C 13 43.695 0.400 . 1 . . . A 11 ARG CD . 19552 1
116 . 1 1 11 11 ARG N N 15 114.563 0.400 . 1 . . . A 11 ARG N . 19552 1
117 . 1 1 11 11 ARG NE N 15 84.344 0.400 . 1 . . . A 11 ARG NE . 19552 1
118 . 1 1 12 12 MET H H 1 7.976 0.020 . 1 . . . A 12 MET H . 19552 1
119 . 1 1 12 12 MET HA H 1 3.819 0.020 . 1 . . . A 12 MET HA . 19552 1
120 . 1 1 12 12 MET HB2 H 1 2.359 0.020 . 2 . . . A 12 MET HB2 . 19552 1
121 . 1 1 12 12 MET HB3 H 1 1.984 0.020 . 2 . . . A 12 MET HB3 . 19552 1
122 . 1 1 12 12 MET HG2 H 1 2.358 0.020 . 2 . . . A 12 MET HG2 . 19552 1
123 . 1 1 12 12 MET HG3 H 1 2.650 0.020 . 2 . . . A 12 MET HG3 . 19552 1
124 . 1 1 12 12 MET HE1 H 1 1.925 0.020 . 1 . . . A 12 MET HE1 . 19552 1
125 . 1 1 12 12 MET HE2 H 1 1.925 0.020 . 1 . . . A 12 MET HE2 . 19552 1
126 . 1 1 12 12 MET HE3 H 1 1.925 0.020 . 1 . . . A 12 MET HE3 . 19552 1
127 . 1 1 12 12 MET C C 13 175.125 0.400 . 1 . . . A 12 MET C . 19552 1
128 . 1 1 12 12 MET CA C 13 59.617 0.400 . 1 . . . A 12 MET CA . 19552 1
129 . 1 1 12 12 MET CB C 13 32.017 0.400 . 1 . . . A 12 MET CB . 19552 1
130 . 1 1 12 12 MET CG C 13 30.024 0.400 . 1 . . . A 12 MET CG . 19552 1
131 . 1 1 12 12 MET CE C 13 16.920 0.400 . 1 . . . A 12 MET CE . 19552 1
132 . 1 1 12 12 MET N N 15 115.606 0.400 . 1 . . . A 12 MET N . 19552 1
133 . 1 1 13 13 ASN H H 1 8.714 0.020 . 1 . . . A 13 ASN H . 19552 1
134 . 1 1 13 13 ASN HA H 1 5.102 0.020 . 1 . . . A 13 ASN HA . 19552 1
135 . 1 1 13 13 ASN HB2 H 1 3.188 0.020 . 2 . . . A 13 ASN HB2 . 19552 1
136 . 1 1 13 13 ASN HB3 H 1 2.595 0.020 . 2 . . . A 13 ASN HB3 . 19552 1
137 . 1 1 13 13 ASN HD21 H 1 6.826 0.020 . 2 . . . A 13 ASN HD21 . 19552 1
138 . 1 1 13 13 ASN HD22 H 1 7.825 0.020 . 2 . . . A 13 ASN HD22 . 19552 1
139 . 1 1 13 13 ASN C C 13 175.540 0.400 . 1 . . . A 13 ASN C . 19552 1
140 . 1 1 13 13 ASN CA C 13 53.516 0.400 . 1 . . . A 13 ASN CA . 19552 1
141 . 1 1 13 13 ASN CB C 13 39.326 0.400 . 1 . . . A 13 ASN CB . 19552 1
142 . 1 1 13 13 ASN N N 15 117.664 0.400 . 1 . . . A 13 ASN N . 19552 1
143 . 1 1 13 13 ASN ND2 N 15 111.737 0.400 . 1 . . . A 13 ASN ND2 . 19552 1
144 . 1 1 14 14 ASP H H 1 8.057 0.020 . 1 . . . A 14 ASP H . 19552 1
145 . 1 1 14 14 ASP HA H 1 4.894 0.020 . 1 . . . A 14 ASP HA . 19552 1
146 . 1 1 14 14 ASP HB2 H 1 2.979 0.020 . 2 . . . A 14 ASP HB2 . 19552 1
147 . 1 1 14 14 ASP HB3 H 1 2.743 0.020 . 2 . . . A 14 ASP HB3 . 19552 1
148 . 1 1 14 14 ASP C C 13 176.553 0.400 . 1 . . . A 14 ASP C . 19552 1
149 . 1 1 14 14 ASP CA C 13 53.211 0.400 . 1 . . . A 14 ASP CA . 19552 1
150 . 1 1 14 14 ASP CB C 13 39.655 0.400 . 1 . . . A 14 ASP CB . 19552 1
151 . 1 1 14 14 ASP N N 15 123.427 0.400 . 1 . . . A 14 ASP N . 19552 1
152 . 1 1 15 15 GLY H H 1 7.833 0.020 . 1 . . . A 15 GLY H . 19552 1
153 . 1 1 15 15 GLY HA2 H 1 3.952 0.020 . 2 . . . A 15 GLY HA2 . 19552 1
154 . 1 1 15 15 GLY HA3 H 1 4.389 0.020 . 2 . . . A 15 GLY HA3 . 19552 1
155 . 1 1 15 15 GLY C C 13 173.718 0.400 . 1 . . . A 15 GLY C . 19552 1
156 . 1 1 15 15 GLY CA C 13 44.536 0.400 . 1 . . . A 15 GLY CA . 19552 1
157 . 1 1 15 15 GLY N N 15 108.142 0.400 . 1 . . . A 15 GLY N . 19552 1
158 . 1 1 16 16 ALA H H 1 8.706 0.020 . 1 . . . A 16 ALA H . 19552 1
159 . 1 1 16 16 ALA HA H 1 4.201 0.020 . 1 . . . A 16 ALA HA . 19552 1
160 . 1 1 16 16 ALA HB1 H 1 1.516 0.020 . 1 . . . A 16 ALA HB1 . 19552 1
161 . 1 1 16 16 ALA HB2 H 1 1.516 0.020 . 1 . . . A 16 ALA HB2 . 19552 1
162 . 1 1 16 16 ALA HB3 H 1 1.516 0.020 . 1 . . . A 16 ALA HB3 . 19552 1
163 . 1 1 16 16 ALA C C 13 181.227 0.400 . 1 . . . A 16 ALA C . 19552 1
164 . 1 1 16 16 ALA CA C 13 55.357 0.400 . 1 . . . A 16 ALA CA . 19552 1
165 . 1 1 16 16 ALA CB C 13 18.438 0.400 . 1 . . . A 16 ALA CB . 19552 1
166 . 1 1 16 16 ALA N N 15 124.207 0.400 . 1 . . . A 16 ALA N . 19552 1
167 . 1 1 17 17 LEU H H 1 8.696 0.020 . 1 . . . A 17 LEU H . 19552 1
168 . 1 1 17 17 LEU HA H 1 4.273 0.020 . 1 . . . A 17 LEU HA . 19552 1
169 . 1 1 17 17 LEU HB2 H 1 1.772 0.020 . 2 . . . A 17 LEU HB2 . 19552 1
170 . 1 1 17 17 LEU HB3 H 1 1.772 0.020 . 2 . . . A 17 LEU HB3 . 19552 1
171 . 1 1 17 17 LEU HG H 1 1.699 0.020 . 1 . . . A 17 LEU HG . 19552 1
172 . 1 1 17 17 LEU HD11 H 1 1.017 0.020 . 2 . . . A 17 LEU HD11 . 19552 1
173 . 1 1 17 17 LEU HD12 H 1 1.017 0.020 . 2 . . . A 17 LEU HD12 . 19552 1
174 . 1 1 17 17 LEU HD13 H 1 1.017 0.020 . 2 . . . A 17 LEU HD13 . 19552 1
175 . 1 1 17 17 LEU HD21 H 1 0.985 0.020 . 2 . . . A 17 LEU HD21 . 19552 1
176 . 1 1 17 17 LEU HD22 H 1 0.985 0.020 . 2 . . . A 17 LEU HD22 . 19552 1
177 . 1 1 17 17 LEU HD23 H 1 0.985 0.020 . 2 . . . A 17 LEU HD23 . 19552 1
178 . 1 1 17 17 LEU C C 13 179.193 0.400 . 1 . . . A 17 LEU C . 19552 1
179 . 1 1 17 17 LEU CA C 13 57.614 0.400 . 1 . . . A 17 LEU CA . 19552 1
180 . 1 1 17 17 LEU CB C 13 41.410 0.400 . 1 . . . A 17 LEU CB . 19552 1
181 . 1 1 17 17 LEU CG C 13 27.252 0.400 . 1 . . . A 17 LEU CG . 19552 1
182 . 1 1 17 17 LEU CD1 C 13 24.099 0.400 . 1 . . . A 17 LEU CD1 . 19552 1
183 . 1 1 17 17 LEU CD2 C 13 24.492 0.400 . 1 . . . A 17 LEU CD2 . 19552 1
184 . 1 1 17 17 LEU N N 15 118.708 0.400 . 1 . . . A 17 LEU N . 19552 1
185 . 1 1 18 18 GLY H H 1 7.612 0.020 . 1 . . . A 18 GLY H . 19552 1
186 . 1 1 18 18 GLY HA2 H 1 3.630 0.020 . 2 . . . A 18 GLY HA2 . 19552 1
187 . 1 1 18 18 GLY HA3 H 1 3.998 0.020 . 2 . . . A 18 GLY HA3 . 19552 1
188 . 1 1 18 18 GLY C C 13 175.408 0.400 . 1 . . . A 18 GLY C . 19552 1
189 . 1 1 18 18 GLY CA C 13 47.877 0.400 . 1 . . . A 18 GLY CA . 19552 1
190 . 1 1 18 18 GLY N N 15 107.929 0.400 . 1 . . . A 18 GLY N . 19552 1
191 . 1 1 19 19 ALA H H 1 7.974 0.020 . 1 . . . A 19 ALA H . 19552 1
192 . 1 1 19 19 ALA HA H 1 4.026 0.020 . 1 . . . A 19 ALA HA . 19552 1
193 . 1 1 19 19 ALA HB1 H 1 1.579 0.020 . 1 . . . A 19 ALA HB1 . 19552 1
194 . 1 1 19 19 ALA HB2 H 1 1.579 0.020 . 1 . . . A 19 ALA HB2 . 19552 1
195 . 1 1 19 19 ALA HB3 H 1 1.579 0.020 . 1 . . . A 19 ALA HB3 . 19552 1
196 . 1 1 19 19 ALA C C 13 180.791 0.400 . 1 . . . A 19 ALA C . 19552 1
197 . 1 1 19 19 ALA CA C 13 56.169 0.400 . 1 . . . A 19 ALA CA . 19552 1
198 . 1 1 19 19 ALA CB C 13 18.220 0.400 . 1 . . . A 19 ALA CB . 19552 1
199 . 1 1 19 19 ALA N N 15 121.305 0.400 . 1 . . . A 19 ALA N . 19552 1
200 . 1 1 20 20 LYS H H 1 7.584 0.020 . 1 . . . A 20 LYS H . 19552 1
201 . 1 1 20 20 LYS HA H 1 4.199 0.020 . 1 . . . A 20 LYS HA . 19552 1
202 . 1 1 20 20 LYS HB2 H 1 2.097 0.020 . 2 . . . A 20 LYS HB2 . 19552 1
203 . 1 1 20 20 LYS HB3 H 1 2.097 0.020 . 2 . . . A 20 LYS HB3 . 19552 1
204 . 1 1 20 20 LYS HG2 H 1 1.712 0.020 . 2 . . . A 20 LYS HG2 . 19552 1
205 . 1 1 20 20 LYS HG3 H 1 1.556 0.020 . 2 . . . A 20 LYS HG3 . 19552 1
206 . 1 1 20 20 LYS HD2 H 1 1.775 0.020 . 2 . . . A 20 LYS HD2 . 19552 1
207 . 1 1 20 20 LYS HD3 H 1 1.775 0.020 . 2 . . . A 20 LYS HD3 . 19552 1
208 . 1 1 20 20 LYS HE2 H 1 3.054 0.020 . 2 . . . A 20 LYS HE2 . 19552 1
209 . 1 1 20 20 LYS HE3 H 1 3.054 0.020 . 2 . . . A 20 LYS HE3 . 19552 1
210 . 1 1 20 20 LYS C C 13 179.882 0.400 . 1 . . . A 20 LYS C . 19552 1
211 . 1 1 20 20 LYS CA C 13 59.545 0.400 . 1 . . . A 20 LYS CA . 19552 1
212 . 1 1 20 20 LYS CB C 13 32.808 0.400 . 1 . . . A 20 LYS CB . 19552 1
213 . 1 1 20 20 LYS CG C 13 25.169 0.400 . 1 . . . A 20 LYS CG . 19552 1
214 . 1 1 20 20 LYS CD C 13 29.652 0.400 . 1 . . . A 20 LYS CD . 19552 1
215 . 1 1 20 20 LYS CE C 13 42.122 0.400 . 1 . . . A 20 LYS CE . 19552 1
216 . 1 1 20 20 LYS N N 15 119.157 0.400 . 1 . . . A 20 LYS N . 19552 1
217 . 1 1 21 21 VAL H H 1 8.472 0.020 . 1 . . . A 21 VAL H . 19552 1
218 . 1 1 21 21 VAL HA H 1 3.800 0.020 . 1 . . . A 21 VAL HA . 19552 1
219 . 1 1 21 21 VAL HB H 1 2.209 0.020 . 1 . . . A 21 VAL HB . 19552 1
220 . 1 1 21 21 VAL HG11 H 1 1.063 0.020 . 2 . . . A 21 VAL HG11 . 19552 1
221 . 1 1 21 21 VAL HG12 H 1 1.063 0.020 . 2 . . . A 21 VAL HG12 . 19552 1
222 . 1 1 21 21 VAL HG13 H 1 1.063 0.020 . 2 . . . A 21 VAL HG13 . 19552 1
223 . 1 1 21 21 VAL HG21 H 1 1.145 0.020 . 2 . . . A 21 VAL HG21 . 19552 1
224 . 1 1 21 21 VAL HG22 H 1 1.145 0.020 . 2 . . . A 21 VAL HG22 . 19552 1
225 . 1 1 21 21 VAL HG23 H 1 1.145 0.020 . 2 . . . A 21 VAL HG23 . 19552 1
226 . 1 1 21 21 VAL C C 13 178.980 0.400 . 1 . . . A 21 VAL C . 19552 1
227 . 1 1 21 21 VAL CA C 13 66.162 0.400 . 1 . . . A 21 VAL CA . 19552 1
228 . 1 1 21 21 VAL CB C 13 32.062 0.400 . 1 . . . A 21 VAL CB . 19552 1
229 . 1 1 21 21 VAL CG1 C 13 20.939 0.400 . 1 . . . A 21 VAL CG1 . 19552 1
230 . 1 1 21 21 VAL CG2 C 13 22.333 0.400 . 1 . . . A 21 VAL CG2 . 19552 1
231 . 1 1 21 21 VAL N N 15 122.484 0.400 . 1 . . . A 21 VAL N . 19552 1
232 . 1 1 22 22 ALA H H 1 8.750 0.020 . 1 . . . A 22 ALA H . 19552 1
233 . 1 1 22 22 ALA HA H 1 4.452 0.020 . 1 . . . A 22 ALA HA . 19552 1
234 . 1 1 22 22 ALA HB1 H 1 1.582 0.020 . 1 . . . A 22 ALA HB1 . 19552 1
235 . 1 1 22 22 ALA HB2 H 1 1.582 0.020 . 1 . . . A 22 ALA HB2 . 19552 1
236 . 1 1 22 22 ALA HB3 H 1 1.582 0.020 . 1 . . . A 22 ALA HB3 . 19552 1
237 . 1 1 22 22 ALA C C 13 178.351 0.400 . 1 . . . A 22 ALA C . 19552 1
238 . 1 1 22 22 ALA CA C 13 54.379 0.400 . 1 . . . A 22 ALA CA . 19552 1
239 . 1 1 22 22 ALA CB C 13 19.355 0.400 . 1 . . . A 22 ALA CB . 19552 1
240 . 1 1 22 22 ALA N N 15 124.043 0.400 . 1 . . . A 22 ALA N . 19552 1
241 . 1 1 23 23 GLN H H 1 7.950 0.020 . 1 . . . A 23 GLN H . 19552 1
242 . 1 1 23 23 GLN HA H 1 4.036 0.020 . 1 . . . A 23 GLN HA . 19552 1
243 . 1 1 23 23 GLN HB2 H 1 2.290 0.020 . 2 . . . A 23 GLN HB2 . 19552 1
244 . 1 1 23 23 GLN HB3 H 1 2.239 0.020 . 2 . . . A 23 GLN HB3 . 19552 1
245 . 1 1 23 23 GLN HG2 H 1 2.520 0.020 . 2 . . . A 23 GLN HG2 . 19552 1
246 . 1 1 23 23 GLN HG3 H 1 2.520 0.020 . 2 . . . A 23 GLN HG3 . 19552 1
247 . 1 1 23 23 GLN HE21 H 1 7.108 0.020 . 2 . . . A 23 GLN HE21 . 19552 1
248 . 1 1 23 23 GLN HE22 H 1 6.833 0.020 . 2 . . . A 23 GLN HE22 . 19552 1
249 . 1 1 23 23 GLN C C 13 178.377 0.400 . 1 . . . A 23 GLN C . 19552 1
250 . 1 1 23 23 GLN CA C 13 59.385 0.400 . 1 . . . A 23 GLN CA . 19552 1
251 . 1 1 23 23 GLN CB C 13 28.577 0.400 . 1 . . . A 23 GLN CB . 19552 1
252 . 1 1 23 23 GLN CG C 13 33.688 0.400 . 1 . . . A 23 GLN CG . 19552 1
253 . 1 1 23 23 GLN N N 15 117.277 0.400 . 1 . . . A 23 GLN N . 19552 1
254 . 1 1 23 23 GLN NE2 N 15 112.158 0.400 . 1 . . . A 23 GLN NE2 . 19552 1
255 . 1 1 24 24 ALA H H 1 7.833 0.020 . 1 . . . A 24 ALA H . 19552 1
256 . 1 1 24 24 ALA HA H 1 4.163 0.020 . 1 . . . A 24 ALA HA . 19552 1
257 . 1 1 24 24 ALA HB1 H 1 1.567 0.020 . 1 . . . A 24 ALA HB1 . 19552 1
258 . 1 1 24 24 ALA HB2 H 1 1.567 0.020 . 1 . . . A 24 ALA HB2 . 19552 1
259 . 1 1 24 24 ALA HB3 H 1 1.567 0.020 . 1 . . . A 24 ALA HB3 . 19552 1
260 . 1 1 24 24 ALA C C 13 180.653 0.400 . 1 . . . A 24 ALA C . 19552 1
261 . 1 1 24 24 ALA CA C 13 55.228 0.400 . 1 . . . A 24 ALA CA . 19552 1
262 . 1 1 24 24 ALA CB C 13 18.011 0.400 . 1 . . . A 24 ALA CB . 19552 1
263 . 1 1 24 24 ALA N N 15 119.981 0.400 . 1 . . . A 24 ALA N . 19552 1
264 . 1 1 25 25 ALA H H 1 8.459 0.020 . 1 . . . A 25 ALA H . 19552 1
265 . 1 1 25 25 ALA HA H 1 4.227 0.020 . 1 . . . A 25 ALA HA . 19552 1
266 . 1 1 25 25 ALA HB1 H 1 1.711 0.020 . 1 . . . A 25 ALA HB1 . 19552 1
267 . 1 1 25 25 ALA HB2 H 1 1.711 0.020 . 1 . . . A 25 ALA HB2 . 19552 1
268 . 1 1 25 25 ALA HB3 H 1 1.711 0.020 . 1 . . . A 25 ALA HB3 . 19552 1
269 . 1 1 25 25 ALA C C 13 180.617 0.400 . 1 . . . A 25 ALA C . 19552 1
270 . 1 1 25 25 ALA CA C 13 55.126 0.400 . 1 . . . A 25 ALA CA . 19552 1
271 . 1 1 25 25 ALA CB C 13 18.105 0.400 . 1 . . . A 25 ALA CB . 19552 1
272 . 1 1 25 25 ALA N N 15 122.799 0.400 . 1 . . . A 25 ALA N . 19552 1
273 . 1 1 26 26 CYS H H 1 8.691 0.020 . 1 . . . A 26 CYS H . 19552 1
274 . 1 1 26 26 CYS HA H 1 4.713 0.020 . 1 . . . A 26 CYS HA . 19552 1
275 . 1 1 26 26 CYS HB2 H 1 2.662 0.020 . 2 . . . A 26 CYS HB2 . 19552 1
276 . 1 1 26 26 CYS HB3 H 1 2.662 0.020 . 2 . . . A 26 CYS HB3 . 19552 1
277 . 1 1 26 26 CYS C C 13 175.945 0.400 . 1 . . . A 26 CYS C . 19552 1
278 . 1 1 26 26 CYS CA C 13 55.572 0.400 . 1 . . . A 26 CYS CA . 19552 1
279 . 1 1 26 26 CYS CB C 13 36.331 0.400 . 1 . . . A 26 CYS CB . 19552 1
280 . 1 1 26 26 CYS N N 15 118.932 0.400 . 1 . . . A 26 CYS N . 19552 1
281 . 1 1 27 27 ILE H H 1 8.617 0.020 . 1 . . . A 27 ILE H . 19552 1
282 . 1 1 27 27 ILE HA H 1 3.333 0.020 . 1 . . . A 27 ILE HA . 19552 1
283 . 1 1 27 27 ILE HB H 1 1.911 0.020 . 1 . . . A 27 ILE HB . 19552 1
284 . 1 1 27 27 ILE HG12 H 1 1.204 0.020 . 2 . . . A 27 ILE HG12 . 19552 1
285 . 1 1 27 27 ILE HG13 H 1 1.886 0.020 . 2 . . . A 27 ILE HG13 . 19552 1
286 . 1 1 27 27 ILE HG21 H 1 0.994 0.020 . 1 . . . A 27 ILE HG21 . 19552 1
287 . 1 1 27 27 ILE HG22 H 1 0.994 0.020 . 1 . . . A 27 ILE HG22 . 19552 1
288 . 1 1 27 27 ILE HG23 H 1 0.994 0.020 . 1 . . . A 27 ILE HG23 . 19552 1
289 . 1 1 27 27 ILE HD11 H 1 1.005 0.020 . 1 . . . A 27 ILE HD11 . 19552 1
290 . 1 1 27 27 ILE HD12 H 1 1.005 0.020 . 1 . . . A 27 ILE HD12 . 19552 1
291 . 1 1 27 27 ILE HD13 H 1 1.005 0.020 . 1 . . . A 27 ILE HD13 . 19552 1
292 . 1 1 27 27 ILE C C 13 178.580 0.400 . 1 . . . A 27 ILE C . 19552 1
293 . 1 1 27 27 ILE CA C 13 67.141 0.400 . 1 . . . A 27 ILE CA . 19552 1
294 . 1 1 27 27 ILE CB C 13 37.993 0.400 . 1 . . . A 27 ILE CB . 19552 1
295 . 1 1 27 27 ILE CG1 C 13 30.769 0.400 . 1 . . . A 27 ILE CG1 . 19552 1
296 . 1 1 27 27 ILE CG2 C 13 17.705 0.400 . 1 . . . A 27 ILE CG2 . 19552 1
297 . 1 1 27 27 ILE CD1 C 13 13.986 0.400 . 1 . . . A 27 ILE CD1 . 19552 1
298 . 1 1 27 27 ILE N N 15 120.719 0.400 . 1 . . . A 27 ILE N . 19552 1
299 . 1 1 28 28 SER H H 1 7.979 0.020 . 1 . . . A 28 SER H . 19552 1
300 . 1 1 28 28 SER HA H 1 4.024 0.020 . 1 . . . A 28 SER HA . 19552 1
301 . 1 1 28 28 SER HB2 H 1 4.167 0.020 . 2 . . . A 28 SER HB2 . 19552 1
302 . 1 1 28 28 SER HB3 H 1 4.167 0.020 . 2 . . . A 28 SER HB3 . 19552 1
303 . 1 1 28 28 SER C C 13 176.950 0.400 . 1 . . . A 28 SER C . 19552 1
304 . 1 1 28 28 SER CA C 13 62.789 0.400 . 1 . . . A 28 SER CA . 19552 1
305 . 1 1 28 28 SER CB C 13 62.250 0.400 . 1 . . . A 28 SER CB . 19552 1
306 . 1 1 28 28 SER N N 15 113.943 0.400 . 1 . . . A 28 SER N . 19552 1
307 . 1 1 29 29 SER H H 1 8.398 0.020 . 1 . . . A 29 SER H . 19552 1
308 . 1 1 29 29 SER HA H 1 4.368 0.020 . 1 . . . A 29 SER HA . 19552 1
309 . 1 1 29 29 SER HB2 H 1 4.167 0.020 . 2 . . . A 29 SER HB2 . 19552 1
310 . 1 1 29 29 SER HB3 H 1 4.167 0.020 . 2 . . . A 29 SER HB3 . 19552 1
311 . 1 1 29 29 SER C C 13 178.416 0.400 . 1 . . . A 29 SER C . 19552 1
312 . 1 1 29 29 SER CA C 13 61.091 0.400 . 1 . . . A 29 SER CA . 19552 1
313 . 1 1 29 29 SER CB C 13 63.329 0.400 . 1 . . . A 29 SER CB . 19552 1
314 . 1 1 29 29 SER N N 15 117.700 0.400 . 1 . . . A 29 SER N . 19552 1
315 . 1 1 30 30 CYS H H 1 8.847 0.020 . 1 . . . A 30 CYS H . 19552 1
316 . 1 1 30 30 CYS HA H 1 4.446 0.020 . 1 . . . A 30 CYS HA . 19552 1
317 . 1 1 30 30 CYS HB2 H 1 2.647 0.020 . 2 . . . A 30 CYS HB2 . 19552 1
318 . 1 1 30 30 CYS HB3 H 1 2.647 0.020 . 2 . . . A 30 CYS HB3 . 19552 1
319 . 1 1 30 30 CYS C C 13 177.681 0.400 . 1 . . . A 30 CYS C . 19552 1
320 . 1 1 30 30 CYS CA C 13 58.035 0.400 . 1 . . . A 30 CYS CA . 19552 1
321 . 1 1 30 30 CYS CB C 13 36.392 0.400 . 1 . . . A 30 CYS CB . 19552 1
322 . 1 1 30 30 CYS N N 15 120.023 0.400 . 1 . . . A 30 CYS N . 19552 1
323 . 1 1 31 31 LYS H H 1 8.640 0.020 . 1 . . . A 31 LYS H . 19552 1
324 . 1 1 31 31 LYS HA H 1 4.538 0.020 . 1 . . . A 31 LYS HA . 19552 1
325 . 1 1 31 31 LYS HB2 H 1 1.975 0.020 . 2 . . . A 31 LYS HB2 . 19552 1
326 . 1 1 31 31 LYS HB3 H 1 1.975 0.020 . 2 . . . A 31 LYS HB3 . 19552 1
327 . 1 1 31 31 LYS HG2 H 1 1.466 0.020 . 2 . . . A 31 LYS HG2 . 19552 1
328 . 1 1 31 31 LYS HG3 H 1 1.588 0.020 . 2 . . . A 31 LYS HG3 . 19552 1
329 . 1 1 31 31 LYS HD2 H 1 1.705 0.020 . 2 . . . A 31 LYS HD2 . 19552 1
330 . 1 1 31 31 LYS HD3 H 1 1.705 0.020 . 2 . . . A 31 LYS HD3 . 19552 1
331 . 1 1 31 31 LYS HE2 H 1 2.973 0.020 . 2 . . . A 31 LYS HE2 . 19552 1
332 . 1 1 31 31 LYS HE3 H 1 2.973 0.020 . 2 . . . A 31 LYS HE3 . 19552 1
333 . 1 1 31 31 LYS C C 13 181.518 0.400 . 1 . . . A 31 LYS C . 19552 1
334 . 1 1 31 31 LYS CA C 13 59.789 0.400 . 1 . . . A 31 LYS CA . 19552 1
335 . 1 1 31 31 LYS CB C 13 31.860 0.400 . 1 . . . A 31 LYS CB . 19552 1
336 . 1 1 31 31 LYS CG C 13 25.271 0.400 . 1 . . . A 31 LYS CG . 19552 1
337 . 1 1 31 31 LYS CD C 13 29.430 0.400 . 1 . . . A 31 LYS CD . 19552 1
338 . 1 1 31 31 LYS CE C 13 42.157 0.400 . 1 . . . A 31 LYS CE . 19552 1
339 . 1 1 31 31 LYS N N 15 124.288 0.400 . 1 . . . A 31 LYS N . 19552 1
340 . 1 1 32 32 PHE H H 1 8.033 0.020 . 1 . . . A 32 PHE H . 19552 1
341 . 1 1 32 32 PHE HA H 1 4.513 0.020 . 1 . . . A 32 PHE HA . 19552 1
342 . 1 1 32 32 PHE HB2 H 1 3.472 0.020 . 2 . . . A 32 PHE HB2 . 19552 1
343 . 1 1 32 32 PHE HB3 H 1 3.357 0.020 . 2 . . . A 32 PHE HB3 . 19552 1
344 . 1 1 32 32 PHE HD1 H 1 7.386 0.020 . 1 . . . A 32 PHE HD1 . 19552 1
345 . 1 1 32 32 PHE HD2 H 1 7.386 0.020 . 1 . . . A 32 PHE HD2 . 19552 1
346 . 1 1 32 32 PHE HE1 H 1 7.375 0.020 . 1 . . . A 32 PHE HE1 . 19552 1
347 . 1 1 32 32 PHE HE2 H 1 7.375 0.020 . 1 . . . A 32 PHE HE2 . 19552 1
348 . 1 1 32 32 PHE C C 13 176.834 0.400 . 1 . . . A 32 PHE C . 19552 1
349 . 1 1 32 32 PHE CA C 13 60.721 0.400 . 1 . . . A 32 PHE CA . 19552 1
350 . 1 1 32 32 PHE CB C 13 38.682 0.400 . 1 . . . A 32 PHE CB . 19552 1
351 . 1 1 32 32 PHE CD1 C 13 132.527 0.400 . 1 . . . A 32 PHE CD1 . 19552 1
352 . 1 1 32 32 PHE CD2 C 13 132.527 0.400 . 1 . . . A 32 PHE CD2 . 19552 1
353 . 1 1 32 32 PHE CE1 C 13 131.534 0.400 . 1 . . . A 32 PHE CE1 . 19552 1
354 . 1 1 32 32 PHE CE2 C 13 131.534 0.400 . 1 . . . A 32 PHE CE2 . 19552 1
355 . 1 1 32 32 PHE N N 15 121.183 0.400 . 1 . . . A 32 PHE N . 19552 1
356 . 1 1 33 33 GLN H H 1 7.482 0.020 . 1 . . . A 33 GLN H . 19552 1
357 . 1 1 33 33 GLN HA H 1 4.450 0.020 . 1 . . . A 33 GLN HA . 19552 1
358 . 1 1 33 33 GLN HB2 H 1 2.169 0.020 . 2 . . . A 33 GLN HB2 . 19552 1
359 . 1 1 33 33 GLN HB3 H 1 2.169 0.020 . 2 . . . A 33 GLN HB3 . 19552 1
360 . 1 1 33 33 GLN HG2 H 1 2.446 0.020 . 2 . . . A 33 GLN HG2 . 19552 1
361 . 1 1 33 33 GLN HG3 H 1 2.637 0.020 . 2 . . . A 33 GLN HG3 . 19552 1
362 . 1 1 33 33 GLN HE21 H 1 7.108 0.020 . 2 . . . A 33 GLN HE21 . 19552 1
363 . 1 1 33 33 GLN HE22 H 1 7.570 0.020 . 2 . . . A 33 GLN HE22 . 19552 1
364 . 1 1 33 33 GLN C C 13 174.236 0.400 . 1 . . . A 33 GLN C . 19552 1
365 . 1 1 33 33 GLN CA C 13 55.176 0.400 . 1 . . . A 33 GLN CA . 19552 1
366 . 1 1 33 33 GLN CB C 13 29.401 0.400 . 1 . . . A 33 GLN CB . 19552 1
367 . 1 1 33 33 GLN CG C 13 34.489 0.400 . 1 . . . A 33 GLN CG . 19552 1
368 . 1 1 33 33 GLN N N 15 116.602 0.400 . 1 . . . A 33 GLN N . 19552 1
369 . 1 1 33 33 GLN NE2 N 15 112.051 0.400 . 1 . . . A 33 GLN NE2 . 19552 1
370 . 1 1 34 34 ASN H H 1 8.053 0.020 . 1 . . . A 34 ASN H . 19552 1
371 . 1 1 34 34 ASN HA H 1 4.441 0.020 . 1 . . . A 34 ASN HA . 19552 1
372 . 1 1 34 34 ASN HB2 H 1 2.897 0.020 . 2 . . . A 34 ASN HB2 . 19552 1
373 . 1 1 34 34 ASN HB3 H 1 3.265 0.020 . 2 . . . A 34 ASN HB3 . 19552 1
374 . 1 1 34 34 ASN HD21 H 1 7.581 0.020 . 2 . . . A 34 ASN HD21 . 19552 1
375 . 1 1 34 34 ASN HD22 H 1 6.924 0.020 . 2 . . . A 34 ASN HD22 . 19552 1
376 . 1 1 34 34 ASN C C 13 174.477 0.400 . 1 . . . A 34 ASN C . 19552 1
377 . 1 1 34 34 ASN CA C 13 54.625 0.400 . 1 . . . A 34 ASN CA . 19552 1
378 . 1 1 34 34 ASN CB C 13 36.774 0.400 . 1 . . . A 34 ASN CB . 19552 1
379 . 1 1 34 34 ASN N N 15 113.176 0.400 . 1 . . . A 34 ASN N . 19552 1
380 . 1 1 34 34 ASN ND2 N 15 112.375 0.400 . 1 . . . A 34 ASN ND2 . 19552 1
381 . 1 1 35 35 CYS H H 1 8.207 0.020 . 1 . . . A 35 CYS H . 19552 1
382 . 1 1 35 35 CYS HA H 1 5.286 0.020 . 1 . . . A 35 CYS HA . 19552 1
383 . 1 1 35 35 CYS HB2 H 1 3.052 0.020 . 2 . . . A 35 CYS HB2 . 19552 1
384 . 1 1 35 35 CYS HB3 H 1 3.404 0.020 . 2 . . . A 35 CYS HB3 . 19552 1
385 . 1 1 35 35 CYS C C 13 174.469 0.400 . 1 . . . A 35 CYS C . 19552 1
386 . 1 1 35 35 CYS CA C 13 55.882 0.400 . 1 . . . A 35 CYS CA . 19552 1
387 . 1 1 35 35 CYS CB C 13 46.807 0.400 . 1 . . . A 35 CYS CB . 19552 1
388 . 1 1 35 35 CYS N N 15 115.883 0.400 . 1 . . . A 35 CYS N . 19552 1
389 . 1 1 36 36 GLY H H 1 8.323 0.020 . 1 . . . A 36 GLY H . 19552 1
390 . 1 1 36 36 GLY HA2 H 1 3.979 0.020 . 2 . . . A 36 GLY HA2 . 19552 1
391 . 1 1 36 36 GLY HA3 H 1 3.786 0.020 . 2 . . . A 36 GLY HA3 . 19552 1
392 . 1 1 36 36 GLY C C 13 173.089 0.400 . 1 . . . A 36 GLY C . 19552 1
393 . 1 1 36 36 GLY CA C 13 46.750 0.400 . 1 . . . A 36 GLY CA . 19552 1
394 . 1 1 36 36 GLY N N 15 109.186 0.400 . 1 . . . A 36 GLY N . 19552 1
395 . 1 1 37 37 THR H H 1 7.840 0.020 . 1 . . . A 37 THR H . 19552 1
396 . 1 1 37 37 THR HA H 1 4.488 0.020 . 1 . . . A 37 THR HA . 19552 1
397 . 1 1 37 37 THR HB H 1 4.213 0.020 . 1 . . . A 37 THR HB . 19552 1
398 . 1 1 37 37 THR HG21 H 1 0.988 0.020 . 1 . . . A 37 THR HG21 . 19552 1
399 . 1 1 37 37 THR HG22 H 1 0.988 0.020 . 1 . . . A 37 THR HG22 . 19552 1
400 . 1 1 37 37 THR HG23 H 1 0.988 0.020 . 1 . . . A 37 THR HG23 . 19552 1
401 . 1 1 37 37 THR C C 13 171.669 0.400 . 1 . . . A 37 THR C . 19552 1
402 . 1 1 37 37 THR CA C 13 60.637 0.400 . 1 . . . A 37 THR CA . 19552 1
403 . 1 1 37 37 THR CB C 13 68.679 0.400 . 1 . . . A 37 THR CB . 19552 1
404 . 1 1 37 37 THR CG2 C 13 18.933 0.400 . 1 . . . A 37 THR CG2 . 19552 1
405 . 1 1 37 37 THR N N 15 111.632 0.400 . 1 . . . A 37 THR N . 19552 1
406 . 1 1 38 38 GLY H H 1 7.900 0.020 . 1 . . . A 38 GLY H . 19552 1
407 . 1 1 38 38 GLY HA2 H 1 5.052 0.020 . 2 . . . A 38 GLY HA2 . 19552 1
408 . 1 1 38 38 GLY HA3 H 1 4.113 0.020 . 2 . . . A 38 GLY HA3 . 19552 1
409 . 1 1 38 38 GLY C C 13 171.421 0.400 . 1 . . . A 38 GLY C . 19552 1
410 . 1 1 38 38 GLY CA C 13 46.735 0.400 . 1 . . . A 38 GLY CA . 19552 1
411 . 1 1 38 38 GLY N N 15 107.766 0.400 . 1 . . . A 38 GLY N . 19552 1
412 . 1 1 39 39 HIS H H 1 8.556 0.020 . 1 . . . A 39 HIS H . 19552 1
413 . 1 1 39 39 HIS HA H 1 4.984 0.020 . 1 . . . A 39 HIS HA . 19552 1
414 . 1 1 39 39 HIS HB2 H 1 3.279 0.020 . 2 . . . A 39 HIS HB2 . 19552 1
415 . 1 1 39 39 HIS HB3 H 1 3.279 0.020 . 2 . . . A 39 HIS HB3 . 19552 1
416 . 1 1 39 39 HIS HD2 H 1 7.100 0.020 . 1 . . . A 39 HIS HD2 . 19552 1
417 . 1 1 39 39 HIS HE1 H 1 8.403 0.020 . 1 . . . A 39 HIS HE1 . 19552 1
418 . 1 1 39 39 HIS C C 13 172.300 0.400 . 1 . . . A 39 HIS C . 19552 1
419 . 1 1 39 39 HIS CA C 13 55.280 0.400 . 1 . . . A 39 HIS CA . 19552 1
420 . 1 1 39 39 HIS CB C 13 32.062 0.400 . 1 . . . A 39 HIS CB . 19552 1
421 . 1 1 39 39 HIS CD2 C 13 120.082 0.400 . 1 . . . A 39 HIS CD2 . 19552 1
422 . 1 1 39 39 HIS CE1 C 13 135.910 0.400 . 1 . . . A 39 HIS CE1 . 19552 1
423 . 1 1 39 39 HIS N N 15 114.736 0.400 . 1 . . . A 39 HIS N . 19552 1
424 . 1 1 40 40 CYS H H 1 9.171 0.020 . 1 . . . A 40 CYS H . 19552 1
425 . 1 1 40 40 CYS HA H 1 5.548 0.020 . 1 . . . A 40 CYS HA . 19552 1
426 . 1 1 40 40 CYS HB2 H 1 2.946 0.020 . 2 . . . A 40 CYS HB2 . 19552 1
427 . 1 1 40 40 CYS HB3 H 1 3.567 0.020 . 2 . . . A 40 CYS HB3 . 19552 1
428 . 1 1 40 40 CYS C C 13 175.262 0.400 . 1 . . . A 40 CYS C . 19552 1
429 . 1 1 40 40 CYS CA C 13 53.750 0.400 . 1 . . . A 40 CYS CA . 19552 1
430 . 1 1 40 40 CYS CB C 13 40.792 0.400 . 1 . . . A 40 CYS CB . 19552 1
431 . 1 1 40 40 CYS N N 15 120.829 0.400 . 1 . . . A 40 CYS N . 19552 1
432 . 1 1 41 41 GLU H H 1 9.526 0.020 . 1 . . . A 41 GLU H . 19552 1
433 . 1 1 41 41 GLU HA H 1 4.736 0.020 . 1 . . . A 41 GLU HA . 19552 1
434 . 1 1 41 41 GLU HB2 H 1 1.819 0.020 . 2 . . . A 41 GLU HB2 . 19552 1
435 . 1 1 41 41 GLU HB3 H 1 2.195 0.020 . 2 . . . A 41 GLU HB3 . 19552 1
436 . 1 1 41 41 GLU HG2 H 1 2.387 0.020 . 2 . . . A 41 GLU HG2 . 19552 1
437 . 1 1 41 41 GLU HG3 H 1 2.387 0.020 . 2 . . . A 41 GLU HG3 . 19552 1
438 . 1 1 41 41 GLU C C 13 174.513 0.400 . 1 . . . A 41 GLU C . 19552 1
439 . 1 1 41 41 GLU CA C 13 55.025 0.400 . 1 . . . A 41 GLU CA . 19552 1
440 . 1 1 41 41 GLU CB C 13 34.294 0.400 . 1 . . . A 41 GLU CB . 19552 1
441 . 1 1 41 41 GLU CG C 13 36.142 0.400 . 1 . . . A 41 GLU CG . 19552 1
442 . 1 1 41 41 GLU N N 15 121.498 0.400 . 1 . . . A 41 GLU N . 19552 1
443 . 1 1 42 42 ARG H H 1 9.092 0.020 . 1 . . . A 42 ARG H . 19552 1
444 . 1 1 42 42 ARG HA H 1 4.695 0.020 . 1 . . . A 42 ARG HA . 19552 1
445 . 1 1 42 42 ARG HB2 H 1 1.784 0.020 . 2 . . . A 42 ARG HB2 . 19552 1
446 . 1 1 42 42 ARG HB3 H 1 1.658 0.020 . 2 . . . A 42 ARG HB3 . 19552 1
447 . 1 1 42 42 ARG HG2 H 1 1.399 0.020 . 2 . . . A 42 ARG HG2 . 19552 1
448 . 1 1 42 42 ARG HG3 H 1 1.512 0.020 . 2 . . . A 42 ARG HG3 . 19552 1
449 . 1 1 42 42 ARG HD2 H 1 3.155 0.020 . 2 . . . A 42 ARG HD2 . 19552 1
450 . 1 1 42 42 ARG HD3 H 1 3.155 0.020 . 2 . . . A 42 ARG HD3 . 19552 1
451 . 1 1 42 42 ARG HE H 1 7.317 0.020 . 1 . . . A 42 ARG HE . 19552 1
452 . 1 1 42 42 ARG C C 13 175.923 0.400 . 1 . . . A 42 ARG C . 19552 1
453 . 1 1 42 42 ARG CA C 13 56.011 0.400 . 1 . . . A 42 ARG CA . 19552 1
454 . 1 1 42 42 ARG CB C 13 30.394 0.400 . 1 . . . A 42 ARG CB . 19552 1
455 . 1 1 42 42 ARG CG C 13 28.116 0.400 . 1 . . . A 42 ARG CG . 19552 1
456 . 1 1 42 42 ARG CD C 13 43.602 0.400 . 1 . . . A 42 ARG CD . 19552 1
457 . 1 1 42 42 ARG N N 15 123.685 0.400 . 1 . . . A 42 ARG N . 19552 1
458 . 1 1 42 42 ARG NE N 15 84.660 0.400 . 1 . . . A 42 ARG NE . 19552 1
459 . 1 1 43 43 ARG H H 1 8.327 0.020 . 1 . . . A 43 ARG H . 19552 1
460 . 1 1 43 43 ARG HA H 1 4.756 0.020 . 1 . . . A 43 ARG HA . 19552 1
461 . 1 1 43 43 ARG HB2 H 1 2.013 0.020 . 2 . . . A 43 ARG HB2 . 19552 1
462 . 1 1 43 43 ARG HB3 H 1 2.013 0.020 . 2 . . . A 43 ARG HB3 . 19552 1
463 . 1 1 43 43 ARG HG2 H 1 1.662 0.020 . 2 . . . A 43 ARG HG2 . 19552 1
464 . 1 1 43 43 ARG HG3 H 1 1.662 0.020 . 2 . . . A 43 ARG HG3 . 19552 1
465 . 1 1 43 43 ARG HD2 H 1 3.315 0.020 . 2 . . . A 43 ARG HD2 . 19552 1
466 . 1 1 43 43 ARG HD3 H 1 3.315 0.020 . 2 . . . A 43 ARG HD3 . 19552 1
467 . 1 1 43 43 ARG HE H 1 7.432 0.020 . 1 . . . A 43 ARG HE . 19552 1
468 . 1 1 43 43 ARG C C 13 177.302 0.400 . 1 . . . A 43 ARG C . 19552 1
469 . 1 1 43 43 ARG CA C 13 55.066 0.400 . 1 . . . A 43 ARG CA . 19552 1
470 . 1 1 43 43 ARG CB C 13 31.982 0.400 . 1 . . . A 43 ARG CB . 19552 1
471 . 1 1 43 43 ARG CG C 13 27.199 0.400 . 1 . . . A 43 ARG CG . 19552 1
472 . 1 1 43 43 ARG CD C 13 43.782 0.400 . 1 . . . A 43 ARG CD . 19552 1
473 . 1 1 43 43 ARG N N 15 124.944 0.400 . 1 . . . A 43 ARG N . 19552 1
474 . 1 1 43 43 ARG NE N 15 84.192 0.400 . 1 . . . A 43 ARG NE . 19552 1
475 . 1 1 44 44 GLY H H 1 9.479 0.020 . 1 . . . A 44 GLY H . 19552 1
476 . 1 1 44 44 GLY HA2 H 1 3.903 0.020 . 2 . . . A 44 GLY HA2 . 19552 1
477 . 1 1 44 44 GLY HA3 H 1 3.903 0.020 . 2 . . . A 44 GLY HA3 . 19552 1
478 . 1 1 44 44 GLY C C 13 175.739 0.400 . 1 . . . A 44 GLY C . 19552 1
479 . 1 1 44 44 GLY CA C 13 47.205 0.400 . 1 . . . A 44 GLY CA . 19552 1
480 . 1 1 44 44 GLY N N 15 118.484 0.400 . 1 . . . A 44 GLY N . 19552 1
481 . 1 1 45 45 GLY H H 1 8.602 0.020 . 1 . . . A 45 GLY H . 19552 1
482 . 1 1 45 45 GLY HA2 H 1 3.650 0.020 . 2 . . . A 45 GLY HA2 . 19552 1
483 . 1 1 45 45 GLY HA3 H 1 4.281 0.020 . 2 . . . A 45 GLY HA3 . 19552 1
484 . 1 1 45 45 GLY C C 13 173.882 0.400 . 1 . . . A 45 GLY C . 19552 1
485 . 1 1 45 45 GLY CA C 13 44.950 0.400 . 1 . . . A 45 GLY CA . 19552 1
486 . 1 1 45 45 GLY N N 15 104.870 0.400 . 1 . . . A 45 GLY N . 19552 1
487 . 1 1 46 46 ARG H H 1 7.794 0.020 . 1 . . . A 46 ARG H . 19552 1
488 . 1 1 46 46 ARG HA H 1 4.951 0.020 . 1 . . . A 46 ARG HA . 19552 1
489 . 1 1 46 46 ARG HB2 H 1 1.834 0.020 . 2 . . . A 46 ARG HB2 . 19552 1
490 . 1 1 46 46 ARG HB3 H 1 1.834 0.020 . 2 . . . A 46 ARG HB3 . 19552 1
491 . 1 1 46 46 ARG HG2 H 1 1.534 0.020 . 2 . . . A 46 ARG HG2 . 19552 1
492 . 1 1 46 46 ARG HG3 H 1 1.534 0.020 . 2 . . . A 46 ARG HG3 . 19552 1
493 . 1 1 46 46 ARG HD2 H 1 2.852 0.020 . 2 . . . A 46 ARG HD2 . 19552 1
494 . 1 1 46 46 ARG HD3 H 1 2.852 0.020 . 2 . . . A 46 ARG HD3 . 19552 1
495 . 1 1 46 46 ARG HE H 1 6.979 0.020 . 1 . . . A 46 ARG HE . 19552 1
496 . 1 1 46 46 ARG CA C 13 53.238 0.400 . 1 . . . A 46 ARG CA . 19552 1
497 . 1 1 46 46 ARG CB C 13 31.845 0.400 . 1 . . . A 46 ARG CB . 19552 1
498 . 1 1 46 46 ARG CG C 13 26.315 0.400 . 1 . . . A 46 ARG CG . 19552 1
499 . 1 1 46 46 ARG CD C 13 43.412 0.400 . 1 . . . A 46 ARG CD . 19552 1
500 . 1 1 46 46 ARG N N 15 120.611 0.400 . 1 . . . A 46 ARG N . 19552 1
501 . 1 1 46 46 ARG NE N 15 84.254 0.400 . 1 . . . A 46 ARG NE . 19552 1
502 . 1 1 47 47 PRO HA H 1 4.485 0.020 . 1 . . . A 47 PRO HA . 19552 1
503 . 1 1 47 47 PRO HB2 H 1 2.310 0.020 . 2 . . . A 47 PRO HB2 . 19552 1
504 . 1 1 47 47 PRO HB3 H 1 2.310 0.020 . 2 . . . A 47 PRO HB3 . 19552 1
505 . 1 1 47 47 PRO HG2 H 1 2.009 0.020 . 2 . . . A 47 PRO HG2 . 19552 1
506 . 1 1 47 47 PRO HG3 H 1 2.009 0.020 . 2 . . . A 47 PRO HG3 . 19552 1
507 . 1 1 47 47 PRO HD2 H 1 3.789 0.020 . 2 . . . A 47 PRO HD2 . 19552 1
508 . 1 1 47 47 PRO HD3 H 1 3.789 0.020 . 2 . . . A 47 PRO HD3 . 19552 1
509 . 1 1 47 47 PRO C C 13 176.600 0.400 . 1 . . . A 47 PRO C . 19552 1
510 . 1 1 47 47 PRO CA C 13 63.355 0.400 . 1 . . . A 47 PRO CA . 19552 1
511 . 1 1 47 47 PRO CB C 13 32.165 0.400 . 1 . . . A 47 PRO CB . 19552 1
512 . 1 1 47 47 PRO CG C 13 27.360 0.400 . 1 . . . A 47 PRO CG . 19552 1
513 . 1 1 47 47 PRO CD C 13 50.978 0.400 . 1 . . . A 47 PRO CD . 19552 1
514 . 1 1 48 48 THR H H 1 9.526 0.020 . 1 . . . A 48 THR H . 19552 1
515 . 1 1 48 48 THR HA H 1 4.546 0.020 . 1 . . . A 48 THR HA . 19552 1
516 . 1 1 48 48 THR HB H 1 3.939 0.020 . 1 . . . A 48 THR HB . 19552 1
517 . 1 1 48 48 THR HG21 H 1 0.994 0.020 . 1 . . . A 48 THR HG21 . 19552 1
518 . 1 1 48 48 THR HG22 H 1 0.994 0.020 . 1 . . . A 48 THR HG22 . 19552 1
519 . 1 1 48 48 THR HG23 H 1 0.994 0.020 . 1 . . . A 48 THR HG23 . 19552 1
520 . 1 1 48 48 THR C C 13 171.198 0.400 . 1 . . . A 48 THR C . 19552 1
521 . 1 1 48 48 THR CA C 13 63.415 0.400 . 1 . . . A 48 THR CA . 19552 1
522 . 1 1 48 48 THR CB C 13 71.932 0.400 . 1 . . . A 48 THR CB . 19552 1
523 . 1 1 48 48 THR CG2 C 13 21.138 0.400 . 1 . . . A 48 THR CG2 . 19552 1
524 . 1 1 48 48 THR N N 15 125.296 0.400 . 1 . . . A 48 THR N . 19552 1
525 . 1 1 49 49 CYS H H 1 8.551 0.020 . 1 . . . A 49 CYS H . 19552 1
526 . 1 1 49 49 CYS HA H 1 4.969 0.020 . 1 . . . A 49 CYS HA . 19552 1
527 . 1 1 49 49 CYS HB2 H 1 3.120 0.020 . 2 . . . A 49 CYS HB2 . 19552 1
528 . 1 1 49 49 CYS HB3 H 1 2.701 0.020 . 2 . . . A 49 CYS HB3 . 19552 1
529 . 1 1 49 49 CYS C C 13 172.343 0.400 . 1 . . . A 49 CYS C . 19552 1
530 . 1 1 49 49 CYS CA C 13 54.970 0.400 . 1 . . . A 49 CYS CA . 19552 1
531 . 1 1 49 49 CYS CB C 13 36.652 0.400 . 1 . . . A 49 CYS CB . 19552 1
532 . 1 1 49 49 CYS N N 15 126.782 0.400 . 1 . . . A 49 CYS N . 19552 1
533 . 1 1 50 50 VAL H H 1 8.834 0.020 . 1 . . . A 50 VAL H . 19552 1
534 . 1 1 50 50 VAL HA H 1 4.204 0.020 . 1 . . . A 50 VAL HA . 19552 1
535 . 1 1 50 50 VAL HB H 1 1.493 0.020 . 1 . . . A 50 VAL HB . 19552 1
536 . 1 1 50 50 VAL HG11 H 1 0.710 0.020 . 2 . . . A 50 VAL HG11 . 19552 1
537 . 1 1 50 50 VAL HG12 H 1 0.710 0.020 . 2 . . . A 50 VAL HG12 . 19552 1
538 . 1 1 50 50 VAL HG13 H 1 0.710 0.020 . 2 . . . A 50 VAL HG13 . 19552 1
539 . 1 1 50 50 VAL HG21 H 1 0.859 0.020 . 2 . . . A 50 VAL HG21 . 19552 1
540 . 1 1 50 50 VAL HG22 H 1 0.859 0.020 . 2 . . . A 50 VAL HG22 . 19552 1
541 . 1 1 50 50 VAL HG23 H 1 0.859 0.020 . 2 . . . A 50 VAL HG23 . 19552 1
542 . 1 1 50 50 VAL C C 13 175.783 0.400 . 1 . . . A 50 VAL C . 19552 1
543 . 1 1 50 50 VAL CA C 13 61.364 0.400 . 1 . . . A 50 VAL CA . 19552 1
544 . 1 1 50 50 VAL CB C 13 32.850 0.400 . 1 . . . A 50 VAL CB . 19552 1
545 . 1 1 50 50 VAL CG1 C 13 20.202 0.400 . 1 . . . A 50 VAL CG1 . 19552 1
546 . 1 1 50 50 VAL CG2 C 13 20.958 0.400 . 1 . . . A 50 VAL CG2 . 19552 1
547 . 1 1 50 50 VAL N N 15 131.341 0.400 . 1 . . . A 50 VAL N . 19552 1
548 . 1 1 51 51 CYS H H 1 8.707 0.020 . 1 . . . A 51 CYS H . 19552 1
549 . 1 1 51 51 CYS HA H 1 5.551 0.020 . 1 . . . A 51 CYS HA . 19552 1
550 . 1 1 51 51 CYS HB2 H 1 2.725 0.020 . 2 . . . A 51 CYS HB2 . 19552 1
551 . 1 1 51 51 CYS HB3 H 1 3.184 0.020 . 2 . . . A 51 CYS HB3 . 19552 1
552 . 1 1 51 51 CYS C C 13 175.266 0.400 . 1 . . . A 51 CYS C . 19552 1
553 . 1 1 51 51 CYS CA C 13 53.045 0.400 . 1 . . . A 51 CYS CA . 19552 1
554 . 1 1 51 51 CYS CB C 13 37.991 0.400 . 1 . . . A 51 CYS CB . 19552 1
555 . 1 1 51 51 CYS N N 15 124.963 0.400 . 1 . . . A 51 CYS N . 19552 1
556 . 1 1 52 52 SER H H 1 8.616 0.020 . 1 . . . A 52 SER H . 19552 1
557 . 1 1 52 52 SER HA H 1 4.754 0.020 . 1 . . . A 52 SER HA . 19552 1
558 . 1 1 52 52 SER HB2 H 1 3.815 0.020 . 2 . . . A 52 SER HB2 . 19552 1
559 . 1 1 52 52 SER HB3 H 1 3.815 0.020 . 2 . . . A 52 SER HB3 . 19552 1
560 . 1 1 52 52 SER C C 13 172.533 0.400 . 1 . . . A 52 SER C . 19552 1
561 . 1 1 52 52 SER CA C 13 57.703 0.400 . 1 . . . A 52 SER CA . 19552 1
562 . 1 1 52 52 SER CB C 13 64.838 0.400 . 1 . . . A 52 SER CB . 19552 1
563 . 1 1 52 52 SER N N 15 115.877 0.400 . 1 . . . A 52 SER N . 19552 1
564 . 1 1 53 53 ARG H H 1 8.847 0.020 . 1 . . . A 53 ARG H . 19552 1
565 . 1 1 53 53 ARG HA H 1 4.016 0.020 . 1 . . . A 53 ARG HA . 19552 1
566 . 1 1 53 53 ARG HB2 H 1 2.010 0.020 . 2 . . . A 53 ARG HB2 . 19552 1
567 . 1 1 53 53 ARG HB3 H 1 2.010 0.020 . 2 . . . A 53 ARG HB3 . 19552 1
568 . 1 1 53 53 ARG HG2 H 1 1.912 0.020 . 2 . . . A 53 ARG HG2 . 19552 1
569 . 1 1 53 53 ARG HG3 H 1 1.912 0.020 . 2 . . . A 53 ARG HG3 . 19552 1
570 . 1 1 53 53 ARG HD2 H 1 3.153 0.020 . 2 . . . A 53 ARG HD2 . 19552 1
571 . 1 1 53 53 ARG HD3 H 1 3.153 0.020 . 2 . . . A 53 ARG HD3 . 19552 1
572 . 1 1 53 53 ARG HE H 1 7.268 0.020 . 1 . . . A 53 ARG HE . 19552 1
573 . 1 1 53 53 ARG C C 13 177.808 0.400 . 1 . . . A 53 ARG C . 19552 1
574 . 1 1 53 53 ARG CA C 13 57.008 0.400 . 1 . . . A 53 ARG CA . 19552 1
575 . 1 1 53 53 ARG CB C 13 27.539 0.400 . 1 . . . A 53 ARG CB . 19552 1
576 . 1 1 53 53 ARG CG C 13 27.514 0.400 . 1 . . . A 53 ARG CG . 19552 1
577 . 1 1 53 53 ARG CD C 13 43.895 0.400 . 1 . . . A 53 ARG CD . 19552 1
578 . 1 1 53 53 ARG N N 15 116.612 0.400 . 1 . . . A 53 ARG N . 19552 1
579 . 1 1 53 53 ARG NE N 15 84.931 0.400 . 1 . . . A 53 ARG NE . 19552 1
580 . 1 1 54 54 CYS H H 1 8.785 0.020 . 1 . . . A 54 CYS H . 19552 1
581 . 1 1 54 54 CYS HA H 1 4.999 0.020 . 1 . . . A 54 CYS HA . 19552 1
582 . 1 1 54 54 CYS HB2 H 1 3.284 0.020 . 2 . . . A 54 CYS HB2 . 19552 1
583 . 1 1 54 54 CYS HB3 H 1 2.940 0.020 . 2 . . . A 54 CYS HB3 . 19552 1
584 . 1 1 54 54 CYS C C 13 175.666 0.400 . 1 . . . A 54 CYS C . 19552 1
585 . 1 1 54 54 CYS CA C 13 56.833 0.400 . 1 . . . A 54 CYS CA . 19552 1
586 . 1 1 54 54 CYS CB C 13 43.446 0.400 . 1 . . . A 54 CYS CB . 19552 1
587 . 1 1 54 54 CYS N N 15 119.474 0.400 . 1 . . . A 54 CYS N . 19552 1
588 . 1 1 55 55 GLY H H 1 8.615 0.020 . 1 . . . A 55 GLY H . 19552 1
589 . 1 1 55 55 GLY HA2 H 1 4.068 0.020 . 2 . . . A 55 GLY HA2 . 19552 1
590 . 1 1 55 55 GLY HA3 H 1 4.068 0.020 . 2 . . . A 55 GLY HA3 . 19552 1
591 . 1 1 55 55 GLY C C 13 174.020 0.400 . 1 . . . A 55 GLY C . 19552 1
592 . 1 1 55 55 GLY CA C 13 45.636 0.400 . 1 . . . A 55 GLY CA . 19552 1
593 . 1 1 55 55 GLY N N 15 110.933 0.400 . 1 . . . A 55 GLY N . 19552 1
594 . 1 1 56 56 ASN H H 1 8.587 0.020 . 1 . . . A 56 ASN H . 19552 1
595 . 1 1 56 56 ASN HA H 1 4.803 0.020 . 1 . . . A 56 ASN HA . 19552 1
596 . 1 1 56 56 ASN HB2 H 1 2.845 0.020 . 2 . . . A 56 ASN HB2 . 19552 1
597 . 1 1 56 56 ASN HB3 H 1 2.845 0.020 . 2 . . . A 56 ASN HB3 . 19552 1
598 . 1 1 56 56 ASN HD21 H 1 7.634 0.020 . 2 . . . A 56 ASN HD21 . 19552 1
599 . 1 1 56 56 ASN HD22 H 1 6.973 0.020 . 2 . . . A 56 ASN HD22 . 19552 1
600 . 1 1 56 56 ASN C C 13 176.160 0.400 . 1 . . . A 56 ASN C . 19552 1
601 . 1 1 56 56 ASN CA C 13 53.236 0.400 . 1 . . . A 56 ASN CA . 19552 1
602 . 1 1 56 56 ASN CB C 13 38.960 0.400 . 1 . . . A 56 ASN CB . 19552 1
603 . 1 1 56 56 ASN N N 15 118.995 0.400 . 1 . . . A 56 ASN N . 19552 1
604 . 1 1 56 56 ASN ND2 N 15 112.916 0.400 . 1 . . . A 56 ASN ND2 . 19552 1
605 . 1 1 57 57 GLY H H 1 8.584 0.020 . 1 . . . A 57 GLY H . 19552 1
606 . 1 1 57 57 GLY HA2 H 1 3.995 0.020 . 2 . . . A 57 GLY HA2 . 19552 1
607 . 1 1 57 57 GLY HA3 H 1 3.995 0.020 . 2 . . . A 57 GLY HA3 . 19552 1
608 . 1 1 57 57 GLY C C 13 174.914 0.400 . 1 . . . A 57 GLY C . 19552 1
609 . 1 1 57 57 GLY CA C 13 45.570 0.400 . 1 . . . A 57 GLY CA . 19552 1
610 . 1 1 57 57 GLY N N 15 109.741 0.400 . 1 . . . A 57 GLY N . 19552 1
611 . 1 1 58 58 GLY H H 1 8.370 0.020 . 1 . . . A 58 GLY H . 19552 1
612 . 1 1 58 58 GLY HA2 H 1 4.030 0.020 . 2 . . . A 58 GLY HA2 . 19552 1
613 . 1 1 58 58 GLY HA3 H 1 4.030 0.020 . 2 . . . A 58 GLY HA3 . 19552 1
614 . 1 1 58 58 GLY C C 13 174.748 0.400 . 1 . . . A 58 GLY C . 19552 1
615 . 1 1 58 58 GLY CA C 13 45.510 0.400 . 1 . . . A 58 GLY CA . 19552 1
616 . 1 1 58 58 GLY N N 15 108.896 0.400 . 1 . . . A 58 GLY N . 19552 1
617 . 1 1 59 59 GLY H H 1 8.250 0.020 . 1 . . . A 59 GLY H . 19552 1
618 . 1 1 59 59 GLY HA2 H 1 3.937 0.020 . 2 . . . A 59 GLY HA2 . 19552 1
619 . 1 1 59 59 GLY HA3 H 1 3.937 0.020 . 2 . . . A 59 GLY HA3 . 19552 1
620 . 1 1 59 59 GLY C C 13 173.892 0.400 . 1 . . . A 59 GLY C . 19552 1
621 . 1 1 59 59 GLY CA C 13 45.175 0.400 . 1 . . . A 59 GLY CA . 19552 1
622 . 1 1 59 59 GLY N N 15 108.706 0.400 . 1 . . . A 59 GLY N . 19552 1
623 . 1 1 60 60 GLU H H 1 8.246 0.020 . 1 . . . A 60 GLU H . 19552 1
624 . 1 1 60 60 GLU HA H 1 4.272 0.020 . 1 . . . A 60 GLU HA . 19552 1
625 . 1 1 60 60 GLU HB2 H 1 1.895 0.020 . 2 . . . A 60 GLU HB2 . 19552 1
626 . 1 1 60 60 GLU HB3 H 1 1.807 0.020 . 2 . . . A 60 GLU HB3 . 19552 1
627 . 1 1 60 60 GLU HG2 H 1 2.179 0.020 . 2 . . . A 60 GLU HG2 . 19552 1
628 . 1 1 60 60 GLU HG3 H 1 2.105 0.020 . 2 . . . A 60 GLU HG3 . 19552 1
629 . 1 1 60 60 GLU C C 13 175.992 0.400 . 1 . . . A 60 GLU C . 19552 1
630 . 1 1 60 60 GLU CA C 13 56.363 0.400 . 1 . . . A 60 GLU CA . 19552 1
631 . 1 1 60 60 GLU CB C 13 30.385 0.400 . 1 . . . A 60 GLU CB . 19552 1
632 . 1 1 60 60 GLU CG C 13 36.139 0.400 . 1 . . . A 60 GLU CG . 19552 1
633 . 1 1 60 60 GLU N N 15 120.238 0.400 . 1 . . . A 60 GLU N . 19552 1
634 . 1 1 61 61 TRP H H 1 8.330 0.020 . 1 . . . A 61 TRP H . 19552 1
635 . 1 1 61 61 TRP HA H 1 5.005 0.020 . 1 . . . A 61 TRP HA . 19552 1
636 . 1 1 61 61 TRP HB2 H 1 3.375 0.020 . 2 . . . A 61 TRP HB2 . 19552 1
637 . 1 1 61 61 TRP HB3 H 1 3.180 0.020 . 2 . . . A 61 TRP HB3 . 19552 1
638 . 1 1 61 61 TRP HD1 H 1 7.268 0.020 . 1 . . . A 61 TRP HD1 . 19552 1
639 . 1 1 61 61 TRP HE1 H 1 10.117 0.020 . 1 . . . A 61 TRP HE1 . 19552 1
640 . 1 1 61 61 TRP HE3 H 1 7.709 0.020 . 1 . . . A 61 TRP HE3 . 19552 1
641 . 1 1 61 61 TRP HZ2 H 1 7.522 0.020 . 1 . . . A 61 TRP HZ2 . 19552 1
642 . 1 1 61 61 TRP HZ3 H 1 7.181 0.020 . 1 . . . A 61 TRP HZ3 . 19552 1
643 . 1 1 61 61 TRP HH2 H 1 7.190 0.020 . 1 . . . A 61 TRP HH2 . 19552 1
644 . 1 1 61 61 TRP CA C 13 54.905 0.400 . 1 . . . A 61 TRP CA . 19552 1
645 . 1 1 61 61 TRP CB C 13 29.281 0.400 . 1 . . . A 61 TRP CB . 19552 1
646 . 1 1 61 61 TRP CD1 C 13 124.453 0.400 . 1 . . . A 61 TRP CD1 . 19552 1
647 . 1 1 61 61 TRP CE3 C 13 121.174 0.400 . 1 . . . A 61 TRP CE3 . 19552 1
648 . 1 1 61 61 TRP CZ2 C 13 114.614 0.400 . 1 . . . A 61 TRP CZ2 . 19552 1
649 . 1 1 61 61 TRP CZ3 C 13 121.078 0.400 . 1 . . . A 61 TRP CZ3 . 19552 1
650 . 1 1 61 61 TRP CH2 C 13 122.435 0.400 . 1 . . . A 61 TRP CH2 . 19552 1
651 . 1 1 61 61 TRP N N 15 123.067 0.400 . 1 . . . A 61 TRP N . 19552 1
652 . 1 1 61 61 TRP NE1 N 15 129.130 0.400 . 1 . . . A 61 TRP NE1 . 19552 1
653 . 1 1 62 62 PRO HA H 1 4.534 0.020 . 1 . . . A 62 PRO HA . 19552 1
654 . 1 1 62 62 PRO HB2 H 1 2.019 0.020 . 2 . . . A 62 PRO HB2 . 19552 1
655 . 1 1 62 62 PRO HB3 H 1 2.019 0.020 . 2 . . . A 62 PRO HB3 . 19552 1
656 . 1 1 62 62 PRO HG2 H 1 2.072 0.020 . 2 . . . A 62 PRO HG2 . 19552 1
657 . 1 1 62 62 PRO HG3 H 1 2.072 0.020 . 2 . . . A 62 PRO HG3 . 19552 1
658 . 1 1 62 62 PRO HD2 H 1 3.696 0.020 . 2 . . . A 62 PRO HD2 . 19552 1
659 . 1 1 62 62 PRO HD3 H 1 3.696 0.020 . 2 . . . A 62 PRO HD3 . 19552 1
660 . 1 1 62 62 PRO C C 13 176.634 0.400 . 1 . . . A 62 PRO C . 19552 1
661 . 1 1 62 62 PRO CA C 13 63.352 0.400 . 1 . . . A 62 PRO CA . 19552 1
662 . 1 1 62 62 PRO CB C 13 32.170 0.400 . 1 . . . A 62 PRO CB . 19552 1
663 . 1 1 62 62 PRO CG C 13 27.452 0.400 . 1 . . . A 62 PRO CG . 19552 1
664 . 1 1 62 62 PRO CD C 13 50.648 0.400 . 1 . . . A 62 PRO CD . 19552 1
665 . 1 1 63 63 ASN H H 1 8.446 0.020 . 1 . . . A 63 ASN H . 19552 1
666 . 1 1 63 63 ASN HA H 1 4.732 0.020 . 1 . . . A 63 ASN HA . 19552 1
667 . 1 1 63 63 ASN HB2 H 1 2.876 0.020 . 2 . . . A 63 ASN HB2 . 19552 1
668 . 1 1 63 63 ASN HB3 H 1 2.743 0.020 . 2 . . . A 63 ASN HB3 . 19552 1
669 . 1 1 63 63 ASN HD21 H 1 7.635 0.020 . 2 . . . A 63 ASN HD21 . 19552 1
670 . 1 1 63 63 ASN HD22 H 1 6.993 0.020 . 2 . . . A 63 ASN HD22 . 19552 1
671 . 1 1 63 63 ASN C C 13 174.777 0.400 . 1 . . . A 63 ASN C . 19552 1
672 . 1 1 63 63 ASN CA C 13 53.081 0.400 . 1 . . . A 63 ASN CA . 19552 1
673 . 1 1 63 63 ASN CB C 13 38.965 0.400 . 1 . . . A 63 ASN CB . 19552 1
674 . 1 1 63 63 ASN N N 15 118.290 0.400 . 1 . . . A 63 ASN N . 19552 1
675 . 1 1 63 63 ASN ND2 N 15 113.065 0.400 . 1 . . . A 63 ASN ND2 . 19552 1
676 . 1 1 64 64 LEU H H 1 8.197 0.020 . 1 . . . A 64 LEU H . 19552 1
677 . 1 1 64 64 LEU HA H 1 4.695 0.020 . 1 . . . A 64 LEU HA . 19552 1
678 . 1 1 64 64 LEU HB2 H 1 1.676 0.020 . 2 . . . A 64 LEU HB2 . 19552 1
679 . 1 1 64 64 LEU HB3 H 1 1.676 0.020 . 2 . . . A 64 LEU HB3 . 19552 1
680 . 1 1 64 64 LEU HG H 1 1.622 0.020 . 1 . . . A 64 LEU HG . 19552 1
681 . 1 1 64 64 LEU HD11 H 1 0.975 0.020 . 2 . . . A 64 LEU HD11 . 19552 1
682 . 1 1 64 64 LEU HD12 H 1 0.975 0.020 . 2 . . . A 64 LEU HD12 . 19552 1
683 . 1 1 64 64 LEU HD13 H 1 0.975 0.020 . 2 . . . A 64 LEU HD13 . 19552 1
684 . 1 1 64 64 LEU HD21 H 1 0.949 0.020 . 2 . . . A 64 LEU HD21 . 19552 1
685 . 1 1 64 64 LEU HD22 H 1 0.949 0.020 . 2 . . . A 64 LEU HD22 . 19552 1
686 . 1 1 64 64 LEU HD23 H 1 0.949 0.020 . 2 . . . A 64 LEU HD23 . 19552 1
687 . 1 1 64 64 LEU CA C 13 53.262 0.400 . 1 . . . A 64 LEU CA . 19552 1
688 . 1 1 64 64 LEU CB C 13 42.119 0.400 . 1 . . . A 64 LEU CB . 19552 1
689 . 1 1 64 64 LEU CG C 13 27.261 0.400 . 1 . . . A 64 LEU CG . 19552 1
690 . 1 1 64 64 LEU CD1 C 13 25.288 0.400 . 1 . . . A 64 LEU CD1 . 19552 1
691 . 1 1 64 64 LEU CD2 C 13 23.577 0.400 . 1 . . . A 64 LEU CD2 . 19552 1
692 . 1 1 64 64 LEU N N 15 123.853 0.400 . 1 . . . A 64 LEU N . 19552 1
693 . 1 1 65 65 PRO HA H 1 4.495 0.020 . 1 . . . A 65 PRO HA . 19552 1
694 . 1 1 65 65 PRO HB2 H 1 1.960 0.020 . 2 . . . A 65 PRO HB2 . 19552 1
695 . 1 1 65 65 PRO HB3 H 1 1.960 0.020 . 2 . . . A 65 PRO HB3 . 19552 1
696 . 1 1 65 65 PRO HG2 H 1 2.000 0.020 . 2 . . . A 65 PRO HG2 . 19552 1
697 . 1 1 65 65 PRO HG3 H 1 2.000 0.020 . 2 . . . A 65 PRO HG3 . 19552 1
698 . 1 1 65 65 PRO HD2 H 1 3.596 0.020 . 2 . . . A 65 PRO HD2 . 19552 1
699 . 1 1 65 65 PRO HD3 H 1 3.596 0.020 . 2 . . . A 65 PRO HD3 . 19552 1
700 . 1 1 65 65 PRO C C 13 177.023 0.400 . 1 . . . A 65 PRO C . 19552 1
701 . 1 1 65 65 PRO CA C 13 63.232 0.400 . 1 . . . A 65 PRO CA . 19552 1
702 . 1 1 65 65 PRO CB C 13 31.994 0.400 . 1 . . . A 65 PRO CB . 19552 1
703 . 1 1 65 65 PRO CG C 13 27.549 0.400 . 1 . . . A 65 PRO CG . 19552 1
704 . 1 1 65 65 PRO CD C 13 50.751 0.400 . 1 . . . A 65 PRO CD . 19552 1
705 . 1 1 66 66 SER H H 1 8.434 0.020 . 1 . . . A 66 SER H . 19552 1
706 . 1 1 66 66 SER HA H 1 4.471 0.020 . 1 . . . A 66 SER HA . 19552 1
707 . 1 1 66 66 SER HB2 H 1 3.928 0.020 . 2 . . . A 66 SER HB2 . 19552 1
708 . 1 1 66 66 SER HB3 H 1 3.928 0.020 . 2 . . . A 66 SER HB3 . 19552 1
709 . 1 1 66 66 SER C C 13 174.769 0.400 . 1 . . . A 66 SER C . 19552 1
710 . 1 1 66 66 SER CA C 13 58.393 0.400 . 1 . . . A 66 SER CA . 19552 1
711 . 1 1 66 66 SER CB C 13 63.882 0.400 . 1 . . . A 66 SER CB . 19552 1
712 . 1 1 66 66 SER N N 15 116.096 0.400 . 1 . . . A 66 SER N . 19552 1
713 . 1 1 67 67 ARG H H 1 8.476 0.020 . 1 . . . A 67 ARG H . 19552 1
714 . 1 1 67 67 ARG HA H 1 4.457 0.020 . 1 . . . A 67 ARG HA . 19552 1
715 . 1 1 67 67 ARG HB2 H 1 1.977 0.020 . 2 . . . A 67 ARG HB2 . 19552 1
716 . 1 1 67 67 ARG HB3 H 1 1.827 0.020 . 2 . . . A 67 ARG HB3 . 19552 1
717 . 1 1 67 67 ARG HG2 H 1 1.704 0.020 . 2 . . . A 67 ARG HG2 . 19552 1
718 . 1 1 67 67 ARG HG3 H 1 1.704 0.020 . 2 . . . A 67 ARG HG3 . 19552 1
719 . 1 1 67 67 ARG HD2 H 1 3.240 0.020 . 2 . . . A 67 ARG HD2 . 19552 1
720 . 1 1 67 67 ARG HD3 H 1 3.240 0.020 . 2 . . . A 67 ARG HD3 . 19552 1
721 . 1 1 67 67 ARG HE H 1 7.272 0.020 . 1 . . . A 67 ARG HE . 19552 1
722 . 1 1 67 67 ARG C C 13 175.819 0.400 . 1 . . . A 67 ARG C . 19552 1
723 . 1 1 67 67 ARG CA C 13 56.099 0.400 . 1 . . . A 67 ARG CA . 19552 1
724 . 1 1 67 67 ARG CB C 13 30.879 0.400 . 1 . . . A 67 ARG CB . 19552 1
725 . 1 1 67 67 ARG CG C 13 27.120 0.400 . 1 . . . A 67 ARG CG . 19552 1
726 . 1 1 67 67 ARG CD C 13 43.429 0.400 . 1 . . . A 67 ARG CD . 19552 1
727 . 1 1 67 67 ARG N N 15 123.537 0.400 . 1 . . . A 67 ARG N . 19552 1
728 . 1 1 67 67 ARG NE N 15 84.054 0.400 . 1 . . . A 67 ARG NE . 19552 1
729 . 1 1 68 68 GLY H H 1 8.107 0.020 . 1 . . . A 68 GLY H . 19552 1
730 . 1 1 68 68 GLY HA2 H 1 3.805 0.020 . 2 . . . A 68 GLY HA2 . 19552 1
731 . 1 1 68 68 GLY HA3 H 1 3.805 0.020 . 2 . . . A 68 GLY HA3 . 19552 1
732 . 1 1 68 68 GLY CA C 13 46.214 0.400 . 1 . . . A 68 GLY CA . 19552 1
733 . 1 1 68 68 GLY N N 15 116.243 0.400 . 1 . . . A 68 GLY N . 19552 1
stop_
save_
save_Minor_Conformer
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Minor_Conformer
_Assigned_chem_shift_list.Entry_ID 19552
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Default
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.4
_Assigned_chem_shift_list.Chem_shift_15N_err 0.4
_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 'Tolerance value used in automated NOESY assignments.'
_Assigned_chem_shift_list.Details 'Resonance for residues between 59 to 64 were degenerate. The weak intensity population is called Minor Conformer.'
_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' . . . 19552 2
3 '3D HNCO' . . . 19552 2
4 '3D HN(CA)CO' . . . 19552 2
5 '3D HNCA' . . . 19552 2
6 '3D HNCACB' . . . 19552 2
7 '3D CBCA(CO)NH' . . . 19552 2
9 '3D HCCH-COSY' . . . 19552 2
10 '3D HCCH-TOCSY' . . . 19552 2
11 2D-hbCBcgcdHD . . . 19552 2
12 2D-hbCBcgcdceHE . . . 19552 2
14 '3D 1H-15N TOCSY' . . . 19552 2
16 '3D 1H-13C NOESYHSQC' . . . 19552 2
17 '3D 1H-15N NOESYHSQC' . . . 19552 2
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 59 59 GLY C C 13 173.881 0.400 . 1 . . . A 59 GLY C . 19552 2
2 . 1 1 60 60 GLU H H 1 8.358 0.020 . 1 . . . A 60 GLU H . 19552 2
3 . 1 1 60 60 GLU HA H 1 4.483 0.020 . 1 . . . A 60 GLU HA . 19552 2
4 . 1 1 60 60 GLU HB2 H 1 1.971 0.020 . 2 . . . A 60 GLU HB2 . 19552 2
5 . 1 1 60 60 GLU HB3 H 1 1.971 0.020 . 2 . . . A 60 GLU HB3 . 19552 2
6 . 1 1 60 60 GLU HG2 H 1 2.318 0.020 . 2 . . . A 60 GLU HG2 . 19552 2
7 . 1 1 60 60 GLU HG3 H 1 2.318 0.020 . 2 . . . A 60 GLU HG3 . 19552 2
8 . 1 1 60 60 GLU C C 13 175.469 0.400 . 1 . . . A 60 GLU C . 19552 2
9 . 1 1 60 60 GLU CA C 13 55.970 0.400 . 1 . . . A 60 GLU CA . 19552 2
10 . 1 1 60 60 GLU CB C 13 30.763 0.400 . 1 . . . A 60 GLU CB . 19552 2
11 . 1 1 60 60 GLU CG C 13 36.235 0.400 . 1 . . . A 60 GLU CG . 19552 2
12 . 1 1 60 60 GLU N N 15 120.386 0.400 . 1 . . . A 60 GLU N . 19552 2
13 . 1 1 61 61 TRP H H 1 8.491 0.020 . 1 . . . A 61 TRP H . 19552 2
14 . 1 1 61 61 TRP HA H 1 4.535 0.020 . 1 . . . A 61 TRP HA . 19552 2
15 . 1 1 61 61 TRP HB2 H 1 3.314 0.020 . 2 . . . A 61 TRP HB2 . 19552 2
16 . 1 1 61 61 TRP HB3 H 1 3.232 0.020 . 2 . . . A 61 TRP HB3 . 19552 2
17 . 1 1 61 61 TRP HD1 H 1 7.275 0.020 . 1 . . . A 61 TRP HD1 . 19552 2
18 . 1 1 61 61 TRP HE1 H 1 10.280 0.020 . 1 . . . A 61 TRP HE1 . 19552 2
19 . 1 1 61 61 TRP CA C 13 56.410 0.400 . 1 . . . A 61 TRP CA . 19552 2
20 . 1 1 61 61 TRP CB C 13 30.660 0.400 . 1 . . . A 61 TRP CB . 19552 2
21 . 1 1 61 61 TRP CD1 C 13 127.442 0.400 . 1 . . . A 61 TRP CD1 . 19552 2
22 . 1 1 61 61 TRP N N 15 124.078 0.400 . 1 . . . A 61 TRP N . 19552 2
23 . 1 1 61 61 TRP NE1 N 15 130.243 0.400 . 1 . . . A 61 TRP NE1 . 19552 2
24 . 1 1 62 62 PRO HA H 1 4.541 0.020 . 1 . . . A 62 PRO HA . 19552 2
25 . 1 1 62 62 PRO HB2 H 1 1.691 0.020 . 2 . . . A 62 PRO HB2 . 19552 2
26 . 1 1 62 62 PRO HB3 H 1 1.691 0.020 . 2 . . . A 62 PRO HB3 . 19552 2
27 . 1 1 62 62 PRO C C 13 175.601 0.400 . 1 . . . A 62 PRO C . 19552 2
28 . 1 1 62 62 PRO CA C 13 63.860 0.400 . 1 . . . A 62 PRO CA . 19552 2
29 . 1 1 62 62 PRO CB C 13 32.622 0.400 . 1 . . . A 62 PRO CB . 19552 2
30 . 1 1 63 63 ASN H H 1 8.515 0.020 . 1 . . . A 63 ASN H . 19552 2
31 . 1 1 63 63 ASN HA H 1 4.606 0.020 . 1 . . . A 63 ASN HA . 19552 2
32 . 1 1 63 63 ASN HB2 H 1 2.817 0.020 . 2 . . . A 63 ASN HB2 . 19552 2
33 . 1 1 63 63 ASN HB3 H 1 2.733 0.020 . 2 . . . A 63 ASN HB3 . 19552 2
34 . 1 1 63 63 ASN C C 13 174.435 0.400 . 1 . . . A 63 ASN C . 19552 2
35 . 1 1 63 63 ASN CA C 13 53.458 0.400 . 1 . . . A 63 ASN CA . 19552 2
36 . 1 1 63 63 ASN CB C 13 38.876 0.400 . 1 . . . A 63 ASN CB . 19552 2
37 . 1 1 63 63 ASN N N 15 121.997 0.400 . 1 . . . A 63 ASN N . 19552 2
38 . 1 1 64 64 LEU H H 1 8.151 0.020 . 1 . . . A 64 LEU H . 19552 2
39 . 1 1 64 64 LEU HA H 1 4.645 0.020 . 1 . . . A 64 LEU HA . 19552 2
40 . 1 1 64 64 LEU HB2 H 1 1.617 0.020 . 2 . . . A 64 LEU HB2 . 19552 2
41 . 1 1 64 64 LEU HB3 H 1 1.617 0.020 . 2 . . . A 64 LEU HB3 . 19552 2
42 . 1 1 64 64 LEU HD11 H 1 0.944 0.020 . 2 . . . A 64 LEU HD11 . 19552 2
43 . 1 1 64 64 LEU HD12 H 1 0.944 0.020 . 2 . . . A 64 LEU HD12 . 19552 2
44 . 1 1 64 64 LEU HD13 H 1 0.944 0.020 . 2 . . . A 64 LEU HD13 . 19552 2
45 . 1 1 64 64 LEU HD21 H 1 0.944 0.020 . 2 . . . A 64 LEU HD21 . 19552 2
46 . 1 1 64 64 LEU HD22 H 1 0.944 0.020 . 2 . . . A 64 LEU HD22 . 19552 2
47 . 1 1 64 64 LEU HD23 H 1 0.944 0.020 . 2 . . . A 64 LEU HD23 . 19552 2
48 . 1 1 64 64 LEU CA C 13 53.004 0.400 . 1 . . . A 64 LEU CA . 19552 2
49 . 1 1 64 64 LEU CB C 13 42.059 0.400 . 1 . . . A 64 LEU CB . 19552 2
50 . 1 1 64 64 LEU CD1 C 13 23.444 0.400 . 1 . . . A 64 LEU CD1 . 19552 2
51 . 1 1 64 64 LEU N N 15 123.227 0.400 . 1 . . . A 64 LEU N . 19552 2
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save_