data_16168
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16168
_Entry.Title
;
STRUCTURE OF THE NA,K-ATPASE REGULATORY PROTEIN FXYD1 IN MICELLES
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2009-02-11
_Entry.Accession_date 2009-02-11
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.13
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES'
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 P. Teriete P. . . 16168
2 C. Franzin C. M. . 16168
3 J. Choi J. . . 16168
4 F. Marassi F. M. . 16168
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
FXYD1 . 16168
'HYDROLASE REGULATOR' . 16168
K-ATPASE . 16168
MICELLE . 16168
NA . 16168
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16168
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 138 16168
'15N chemical shifts' 67 16168
'1H chemical shifts' 145 16168
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
2 . . 2009-03-10 2009-02-11 update BMRB 'complete entry citation' 16168
1 . . 2009-03-06 2009-02-11 original author 'original release' 16168
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 16167 'NMR data for FXYD4 in micelles' 16168
PDB 2JO1 'BMRB Entry Tracking System' 16168
PDB 2JP3 'Solution Structure of the human FXYD4 (CHIF) protein in SDS micelles' 16168
stop_
save_
###############
# Citations #
###############
save_citations
_Citation.Sf_category citations
_Citation.Sf_framecode citations
_Citation.Entry_ID 16168
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 17511473
_Citation.Full_citation .
_Citation.Title 'Structure of the Na,K-ATPase regulatory protein FXYD1 in micelles.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Biochemistry
_Citation.Journal_name_full .
_Citation.Journal_volume 46
_Citation.Journal_issue 23
_Citation.Journal_ASTM BICHAW
_Citation.Journal_ISSN 0006-2960
_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 6774
_Citation.Page_last 6783
_Citation.Year 2007
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 P. Teriete P. . . 16168 1
2 C. Franzin C. M. . 16168 1
3 J. Choi J. . . 16168 1
4 F. Marassi F. M. . 16168 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16168
_Assembly.ID 1
_Assembly.Name PHOSPHOLEMMAN
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 FXYD1 1 $FXYD1 A . yes native no no . . . 16168 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_FXYD1
_Entity.Sf_category entity
_Entity.Sf_framecode FXYD1
_Entity.Entry_ID 16168
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name FXYD1
_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
;
ESPKEHDPFTYDYQSLQIGG
LVIAGILFILGILIVLSRRC
RCKFNQQQRTGEPDEEEGTF
RSSIRRLSTRRR
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 72
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 8396.635
_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 2JO1 . "Structure Of The Na,K-Atpase Regulatory Protein Fxyd1 In Micelles" . . . . . 100.00 72 100.00 100.00 2.97e-43 . . . . 16168 1
2 no DBJ BAF82500 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 92 100.00 100.00 1.12e-43 . . . . 16168 1
3 no DBJ BAG73170 . "FXYD domain containing ion transport regulator 7 [synthetic construct]" . . . . . 100.00 92 100.00 100.00 1.12e-43 . . . . 16168 1
4 no GB AAC51286 . "phospholemman chloride channel [Homo sapiens]" . . . . . 100.00 92 100.00 100.00 1.42e-43 . . . . 16168 1
5 no GB AAH32800 . "FXYD domain containing ion transport regulator 1 [Homo sapiens]" . . . . . 100.00 92 100.00 100.00 1.12e-43 . . . . 16168 1
6 no GB ABW03332 . "FXYD domain containing ion transport regulator 1 (phospholemman) [synthetic construct]" . . . . . 100.00 92 100.00 100.00 1.12e-43 . . . . 16168 1
7 no GB ABW03689 . "FXYD domain containing ion transport regulator 1 (phospholemman) [synthetic construct]" . . . . . 100.00 92 100.00 100.00 1.12e-43 . . . . 16168 1
8 no GB ACT90639 . "FXYD domain-containing ion transport regulator 1 transcript variant b [Homo sapiens]" . . . . . 68.06 63 97.96 100.00 2.24e-26 . . . . 16168 1
9 no REF NP_001265646 . "phospholemman precursor [Homo sapiens]" . . . . . 100.00 92 100.00 100.00 1.12e-43 . . . . 16168 1
10 no REF NP_001265647 . "phospholemman precursor [Homo sapiens]" . . . . . 100.00 92 100.00 100.00 1.12e-43 . . . . 16168 1
11 no REF NP_005022 . "phospholemman precursor [Homo sapiens]" . . . . . 100.00 92 100.00 100.00 1.12e-43 . . . . 16168 1
12 no REF NP_068702 . "phospholemman precursor [Homo sapiens]" . . . . . 100.00 92 100.00 100.00 1.12e-43 . . . . 16168 1
13 no REF XP_002829099 . "PREDICTED: phospholemman [Pongo abelii]" . . . . . 100.00 92 100.00 100.00 1.12e-43 . . . . 16168 1
14 no SP O00168 . "RecName: Full=Phospholemman; AltName: Full=FXYD domain-containing ion transport regulator 1; Flags: Precursor" . . . . . 100.00 92 100.00 100.00 1.12e-43 . . . . 16168 1
stop_
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
'regulatory subunit of the Na,K-ATPase' 16168 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'FXYD DOMAIN-CONTAINING ION TRANSPORT REGULATOR 1' . 16168 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 . GLU . 16168 1
2 . SER . 16168 1
3 . PRO . 16168 1
4 . LYS . 16168 1
5 . GLU . 16168 1
6 . HIS . 16168 1
7 . ASP . 16168 1
8 . PRO . 16168 1
9 . PHE . 16168 1
10 . THR . 16168 1
11 . TYR . 16168 1
12 . ASP . 16168 1
13 . TYR . 16168 1
14 . GLN . 16168 1
15 . SER . 16168 1
16 . LEU . 16168 1
17 . GLN . 16168 1
18 . ILE . 16168 1
19 . GLY . 16168 1
20 . GLY . 16168 1
21 . LEU . 16168 1
22 . VAL . 16168 1
23 . ILE . 16168 1
24 . ALA . 16168 1
25 . GLY . 16168 1
26 . ILE . 16168 1
27 . LEU . 16168 1
28 . PHE . 16168 1
29 . ILE . 16168 1
30 . LEU . 16168 1
31 . GLY . 16168 1
32 . ILE . 16168 1
33 . LEU . 16168 1
34 . ILE . 16168 1
35 . VAL . 16168 1
36 . LEU . 16168 1
37 . SER . 16168 1
38 . ARG . 16168 1
39 . ARG . 16168 1
40 . CYS . 16168 1
41 . ARG . 16168 1
42 . CYS . 16168 1
43 . LYS . 16168 1
44 . PHE . 16168 1
45 . ASN . 16168 1
46 . GLN . 16168 1
47 . GLN . 16168 1
48 . GLN . 16168 1
49 . ARG . 16168 1
50 . THR . 16168 1
51 . GLY . 16168 1
52 . GLU . 16168 1
53 . PRO . 16168 1
54 . ASP . 16168 1
55 . GLU . 16168 1
56 . GLU . 16168 1
57 . GLU . 16168 1
58 . GLY . 16168 1
59 . THR . 16168 1
60 . PHE . 16168 1
61 . ARG . 16168 1
62 . SER . 16168 1
63 . SER . 16168 1
64 . ILE . 16168 1
65 . ARG . 16168 1
66 . ARG . 16168 1
67 . LEU . 16168 1
68 . SER . 16168 1
69 . THR . 16168 1
70 . ARG . 16168 1
71 . ARG . 16168 1
72 . ARG . 16168 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
. GLU 1 1 16168 1
. SER 2 2 16168 1
. PRO 3 3 16168 1
. LYS 4 4 16168 1
. GLU 5 5 16168 1
. HIS 6 6 16168 1
. ASP 7 7 16168 1
. PRO 8 8 16168 1
. PHE 9 9 16168 1
. THR 10 10 16168 1
. TYR 11 11 16168 1
. ASP 12 12 16168 1
. TYR 13 13 16168 1
. GLN 14 14 16168 1
. SER 15 15 16168 1
. LEU 16 16 16168 1
. GLN 17 17 16168 1
. ILE 18 18 16168 1
. GLY 19 19 16168 1
. GLY 20 20 16168 1
. LEU 21 21 16168 1
. VAL 22 22 16168 1
. ILE 23 23 16168 1
. ALA 24 24 16168 1
. GLY 25 25 16168 1
. ILE 26 26 16168 1
. LEU 27 27 16168 1
. PHE 28 28 16168 1
. ILE 29 29 16168 1
. LEU 30 30 16168 1
. GLY 31 31 16168 1
. ILE 32 32 16168 1
. LEU 33 33 16168 1
. ILE 34 34 16168 1
. VAL 35 35 16168 1
. LEU 36 36 16168 1
. SER 37 37 16168 1
. ARG 38 38 16168 1
. ARG 39 39 16168 1
. CYS 40 40 16168 1
. ARG 41 41 16168 1
. CYS 42 42 16168 1
. LYS 43 43 16168 1
. PHE 44 44 16168 1
. ASN 45 45 16168 1
. GLN 46 46 16168 1
. GLN 47 47 16168 1
. GLN 48 48 16168 1
. ARG 49 49 16168 1
. THR 50 50 16168 1
. GLY 51 51 16168 1
. GLU 52 52 16168 1
. PRO 53 53 16168 1
. ASP 54 54 16168 1
. GLU 55 55 16168 1
. GLU 56 56 16168 1
. GLU 57 57 16168 1
. GLY 58 58 16168 1
. THR 59 59 16168 1
. PHE 60 60 16168 1
. ARG 61 61 16168 1
. SER 62 62 16168 1
. SER 63 63 16168 1
. ILE 64 64 16168 1
. ARG 65 65 16168 1
. ARG 66 66 16168 1
. LEU 67 67 16168 1
. SER 68 68 16168 1
. THR 69 69 16168 1
. ARG 70 70 16168 1
. ARG 71 71 16168 1
. ARG 72 72 16168 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 16168
_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 $FXYD1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'FXYD1, PLM' . . . . 16168 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 16168
_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 $FXYD1 . 'recombinant technology' 'ESCHERICHIA COLI' BACTERIA . . ESCHERICHIA COLI . . . . . . . . . . . . . VECTOR . . PBCL173 . . . . . . 16168 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 16168
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '1 MM [U-100% 15N] PROTEIN, 20 MM SODIUM CITRATE AT PH 5, 10 MM DTT, 500 MM SDS, 90% H2O/ 10% D2O'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 FXYD1 '[U-100% 13C; U-100% 15N]' . . 1 $FXYD1 . . 0.5 . . mM . . . . 16168 1
2 'sodium citrate' 'natural abundance' . . . . . . 20 . . mM . . . . 16168 1
3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16168 1
4 SDS 'natural abundance' . . . . . . 500 . . mM . . . . 16168 1
5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16168 1
6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16168 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 16168
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '1 MM [U-100% 15N] PROTEIN, 20 MM SODIUM CITRATE AT PH 5, 10 MM DTT, 500 MM SDS, 90% H2O/ 10% D2O'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 FXYD1 '[U-100% 15N]' . . 1 $FXYD1 . . 1 . . mM . . . . 16168 2
2 'sodium citrate' 'natural abundance' . . . . . . 20 . . mM . . . . 16168 2
3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16168 2
4 SDS 'natural abundance' . . . . . . 500 . . mM . . . . 16168 2
5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16168 2
6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16168 2
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 16168
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 60 . mM 16168 1
pH 5.0 . pH 16168 1
pressure 1 . atm 16168 1
temperature 313.15 . K 16168 1
stop_
save_
############################
# Computer software used #
############################
save_XPLOR-NIH
_Software.Sf_category software
_Software.Sf_framecode XPLOR-NIH
_Software.Entry_ID 16168
_Software.ID 1
_Software.Name 'X-PLOR NIH'
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
C.D.SCHWIETERS,J.J.KUSZEWSKI,N.TJ . . 16168 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 16168 1
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 16168
_Software.ID 2
_Software.Name SPARKY
_Software.Version 3.11
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 16168 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 16168 2
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 16168
_Software.ID 3
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16168 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 16168 3
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 16168
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer BRUKER
_NMR_spectrometer.Model DMX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 16168
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer BRUKER
_NMR_spectrometer.Model DMX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
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 16168
_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 DMX . 600 . . . 16168 1
2 spectrometer_2 BRUKER DMX . 500 . . . 16168 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 16168
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16168 1
2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16168 1
3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16168 1
4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16168 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 16168
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16168 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16168 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16168 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16168
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D 1H-15N NOESY' . . . 16168 1
2 '2D 1H-15N HSQC' . . . 16168 1
3 '3D HNCA' . . . 16168 1
4 '3D HNCACB' . . . 16168 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 GLU HA H 1 4.221 0.006 . 1 . . . . 1 E HA . 16168 1
2 . 1 1 1 1 GLU HB2 H 1 2.216 0.005 . 2 . . . . 1 E HB# . 16168 1
3 . 1 1 1 1 GLU HB3 H 1 2.216 0.005 . 2 . . . . 1 E HB# . 16168 1
4 . 1 1 1 1 GLU HG2 H 1 2.538 0.003 . 2 . . . . 1 E HG# . 16168 1
5 . 1 1 1 1 GLU HG3 H 1 2.538 0.003 . 2 . . . . 1 E HG# . 16168 1
6 . 1 1 1 1 GLU CA C 13 55.808 0.125 . 1 . . . . 1 E CA . 16168 1
7 . 1 1 1 1 GLU CB C 13 29.749 0.054 . 1 . . . . 1 E CB . 16168 1
8 . 1 1 2 2 SER H H 1 8.707 0.007 . 1 . . . . 2 S HN . 16168 1
9 . 1 1 2 2 SER HA H 1 4.638 0.001 . 1 . . . . 2 S HA . 16168 1
10 . 1 1 2 2 SER HB2 H 1 3.98 0.005 . 2 . . . . 2 S HB# . 16168 1
11 . 1 1 2 2 SER HB3 H 1 3.98 0.005 . 2 . . . . 2 S HB# . 16168 1
12 . 1 1 2 2 SER CA C 13 56.699 0.078 . 1 . . . . 2 S CA . 16168 1
13 . 1 1 2 2 SER CB C 13 63.978 0.038 . 1 . . . . 2 S CB . 16168 1
14 . 1 1 2 2 SER N N 15 118.975 0.034 . 1 . . . . 2 S N . 16168 1
15 . 1 1 3 3 PRO HA H 1 4.533 0.042 . 1 . . . . 3 P HA . 16168 1
16 . 1 1 3 3 PRO HB2 H 1 2.076 0.008 . 2 . . . . 3 P HB# . 16168 1
17 . 1 1 3 3 PRO HB3 H 1 2.076 0.008 . 2 . . . . 3 P HB# . 16168 1
18 . 1 1 3 3 PRO HD2 H 1 3.971 0.001 . 2 . . . . 3 P HD# . 16168 1
19 . 1 1 3 3 PRO HD3 H 1 3.971 0.001 . 2 . . . . 3 P HD# . 16168 1
20 . 1 1 3 3 PRO HG2 H 1 2.412 0.003 . 2 . . . . 3 P HG# . 16168 1
21 . 1 1 3 3 PRO HG3 H 1 2.412 0.003 . 2 . . . . 3 P HG# . 16168 1
22 . 1 1 3 3 PRO CA C 13 64.301 0.103 . 1 . . . . 3 P CA . 16168 1
23 . 1 1 3 3 PRO CB C 13 32.998 0.085 . 1 . . . . 3 P CB . 16168 1
24 . 1 1 4 4 LYS H H 1 8.117 0.006 . 1 . . . . 4 K HN . 16168 1
25 . 1 1 4 4 LYS HA H 1 4.314 0.012 . 1 . . . . 4 K HA . 16168 1
26 . 1 1 4 4 LYS HB2 H 1 1.861 0.021 . 2 . . . . 4 K HB# . 16168 1
27 . 1 1 4 4 LYS HB3 H 1 1.861 0.021 . 2 . . . . 4 K HB# . 16168 1
28 . 1 1 4 4 LYS HD2 H 1 1.832 0.005 . 2 . . . . 4 K HD# . 16168 1
29 . 1 1 4 4 LYS HD3 H 1 1.832 0.005 . 2 . . . . 4 K HD# . 16168 1
30 . 1 1 4 4 LYS HG2 H 1 1.525 0.005 . 2 . . . . 4 K HG# . 16168 1
31 . 1 1 4 4 LYS HG3 H 1 1.525 0.005 . 2 . . . . 4 K HG# . 16168 1
32 . 1 1 4 4 LYS CA C 13 56.918 0.055 . 1 . . . . 4 K CA . 16168 1
33 . 1 1 4 4 LYS CB C 13 33.01 0.042 . 1 . . . . 4 K CB . 16168 1
34 . 1 1 4 4 LYS N N 15 118.277 0.189 . 1 . . . . 4 K N . 16168 1
35 . 1 1 5 5 GLU HA H 1 4.302 0.004 . 1 . . . . 5 E HA . 16168 1
36 . 1 1 5 5 GLU HB2 H 1 2.066 0.005 . 1 . . . . 5 E HB1 . 16168 1
37 . 1 1 5 5 GLU HB3 H 1 1.988 0.008 . 1 . . . . 5 E HB2 . 16168 1
38 . 1 1 5 5 GLU HG2 H 1 2.37 0.008 . 2 . . . . 5 E HG# . 16168 1
39 . 1 1 5 5 GLU HG3 H 1 2.37 0.008 . 2 . . . . 5 E HG# . 16168 1
40 . 1 1 5 5 GLU CA C 13 56.505 0.048 . 1 . . . . 5 E CA . 16168 1
41 . 1 1 5 5 GLU CB C 13 38.736 0.024 . 1 . . . . 5 E CB . 16168 1
42 . 1 1 6 6 HIS H H 1 8.075 0.021 . 1 . . . . 6 H HN . 16168 1
43 . 1 1 6 6 HIS HA H 1 4.352 0.010 . 1 . . . . 6 H HA . 16168 1
44 . 1 1 6 6 HIS HB2 H 1 3.293 0.008 . 2 . . . . 6 H HB# . 16168 1
45 . 1 1 6 6 HIS HB3 H 1 3.293 0.008 . 2 . . . . 6 H HB# . 16168 1
46 . 1 1 6 6 HIS HD2 H 1 7.449 0.008 . 1 . . . . 6 H HD2 . 16168 1
47 . 1 1 6 6 HIS CA C 13 55 0.017 . 1 . . . . 6 H CA . 16168 1
48 . 1 1 6 6 HIS CB C 13 29.504 0.021 . 1 . . . . 6 H CB . 16168 1
49 . 1 1 6 6 HIS N N 15 117.435 0.133 . 1 . . . . 6 H N . 16168 1
50 . 1 1 7 7 ASP H H 1 8.249 0.010 . 1 . . . . 7 D HN . 16168 1
51 . 1 1 7 7 ASP HA H 1 4.796 0.001 . 1 . . . . 7 D HA . 16168 1
52 . 1 1 7 7 ASP HB2 H 1 3.009 0.004 . 1 . . . . 7 D HB1 . 16168 1
53 . 1 1 7 7 ASP HB3 H 1 2.771 0.007 . 1 . . . . 7 D HB2 . 16168 1
54 . 1 1 7 7 ASP CA C 13 51.877 0.070 . 1 . . . . 7 D CA . 16168 1
55 . 1 1 7 7 ASP CB C 13 39.384 0.061 . 1 . . . . 7 D CB . 16168 1
56 . 1 1 7 7 ASP N N 15 120.163 0.055 . 1 . . . . 7 D N . 16168 1
57 . 1 1 8 8 PRO HA H 1 4.458 0.003 . 1 . . . . 8 P HA . 16168 1
58 . 1 1 8 8 PRO HB2 H 1 2.253 0.002 . 2 . . . . 8 P HB# . 16168 1
59 . 1 1 8 8 PRO HB3 H 1 2.253 0.002 . 2 . . . . 8 P HB# . 16168 1
60 . 1 1 8 8 PRO HD2 H 1 3.89 0.012 . 1 . . . . 8 P HD1 . 16168 1
61 . 1 1 8 8 PRO HD3 H 1 3.746 0.021 . 1 . . . . 8 P HD2 . 16168 1
62 . 1 1 8 8 PRO HG2 H 1 1.717 0.025 . 2 . . . . 8 P HG# . 16168 1
63 . 1 1 8 8 PRO HG3 H 1 1.717 0.025 . 2 . . . . 8 P HG# . 16168 1
64 . 1 1 8 8 PRO CA C 13 63.863 0.061 . 1 . . . . 8 P CA . 16168 1
65 . 1 1 8 8 PRO CB C 13 32.512 0.038 . 1 . . . . 8 P CB . 16168 1
66 . 1 1 9 9 PHE H H 1 7.959 0.010 . 1 . . . . 9 F HN . 16168 1
67 . 1 1 9 9 PHE HA H 1 4.783 0.002 . 1 . . . . 9 F HA . 16168 1
68 . 1 1 9 9 PHE HB2 H 1 3.365 0.003 . 1 . . . . 9 F HB1 . 16168 1
69 . 1 1 9 9 PHE HB3 H 1 3.228 0.083 . 1 . . . . 9 F HB2 . 16168 1
70 . 1 1 9 9 PHE HD1 H 1 7.435 0.009 . 3 . . . . 9 F HD# . 16168 1
71 . 1 1 9 9 PHE HD2 H 1 7.435 0.009 . 3 . . . . 9 F HD# . 16168 1
72 . 1 1 9 9 PHE CA C 13 58.261 0.059 . 1 . . . . 9 F CA . 16168 1
73 . 1 1 9 9 PHE CB C 13 39.19 0.031 . 1 . . . . 9 F CB . 16168 1
74 . 1 1 9 9 PHE N N 15 118.64 0.194 . 1 . . . . 9 F N . 16168 1
75 . 1 1 10 10 THR H H 1 7.897 0.013 . 1 . . . . 10 T HN . 16168 1
76 . 1 1 10 10 THR HA H 1 4.44 0.002 . 1 . . . . 10 T HA . 16168 1
77 . 1 1 10 10 THR HB H 1 4.261 0.005 . 1 . . . . 10 T HB . 16168 1
78 . 1 1 10 10 THR HG21 H 1 1.182 0.002 . 1 . . . . 10 T HG2# . 16168 1
79 . 1 1 10 10 THR HG22 H 1 1.182 0.002 . 1 . . . . 10 T HG2# . 16168 1
80 . 1 1 10 10 THR HG23 H 1 1.182 0.002 . 1 . . . . 10 T HG2# . 16168 1
81 . 1 1 10 10 THR CA C 13 62.056 0.027 . 1 . . . . 10 T CA . 16168 1
82 . 1 1 10 10 THR CB C 13 70.112 0.036 . 1 . . . . 10 T CB . 16168 1
83 . 1 1 10 10 THR N N 15 112.714 0.04 . 1 . . . . 10 T N . 16168 1
84 . 1 1 11 11 TYR H H 1 7.615 0.013 . 1 . . . . 11 Y HN . 16168 1
85 . 1 1 11 11 TYR HA H 1 4.471 0.004 . 1 . . . . 11 Y HA . 16168 1
86 . 1 1 11 11 TYR HB2 H 1 2.918 0.01 . 2 . . . . 11 Y HB# . 16168 1
87 . 1 1 11 11 TYR HB3 H 1 2.918 0.01 . 2 . . . . 11 Y HB# . 16168 1
88 . 1 1 11 11 TYR HD1 H 1 7.013 0.005 . 3 . . . . 11 Y HD# . 16168 1
89 . 1 1 11 11 TYR HD2 H 1 7.013 0.005 . 3 . . . . 11 Y HD# . 16168 1
90 . 1 1 11 11 TYR CA C 13 58.365 0.055 . 1 . . . . 11 Y CA . 16168 1
91 . 1 1 11 11 TYR CB C 13 70.116 0.061 . 1 . . . . 11 Y CB . 16168 1
92 . 1 1 11 11 TYR N N 15 122.022 0.052 . 1 . . . . 11 Y N . 16168 1
93 . 1 1 12 12 ASP H H 1 7.954 0.017 . 1 . . . . 12 D HN . 16168 1
94 . 1 1 12 12 ASP HA H 1 4.8 0.007 . 1 . . . . 12 D HA . 16168 1
95 . 1 1 12 12 ASP HB2 H 1 2.841 0.012 . 1 . . . . 12 D HB1 . 16168 1
96 . 1 1 12 12 ASP HB3 H 1 2.683 0.004 . 1 . . . . 12 D HB2 . 16168 1
97 . 1 1 12 12 ASP CA C 13 53.013 0.021 . 1 . . . . 12 D CA . 16168 1
98 . 1 1 12 12 ASP CB C 13 39.384 0.061 . 1 . . . . 12 D CB . 16168 1
99 . 1 1 12 12 ASP N N 15 121.56 0.134 . 1 . . . . 12 D N . 16168 1
100 . 1 1 13 13 TYR H H 1 7.949 0.011 . 1 . . . . 13 Y HN . 16168 1
101 . 1 1 13 13 TYR HA H 1 4.435 0.006 . 1 . . . . 13 Y HA . 16168 1
102 . 1 1 13 13 TYR HB2 H 1 3.117 0.004 . 2 . . . . 13 Y HB# . 16168 1
103 . 1 1 13 13 TYR HB3 H 1 3.117 0.004 . 2 . . . . 13 Y HB# . 16168 1
104 . 1 1 13 13 TYR HD1 H 1 7.178 0.005 . 3 . . . . 13 Y HD# . 16168 1
105 . 1 1 13 13 TYR HD2 H 1 7.178 0.005 . 3 . . . . 13 Y HD# . 16168 1
106 . 1 1 13 13 TYR CA C 13 59.555 0.101 . 1 . . . . 13 Y CA . 16168 1
107 . 1 1 13 13 TYR CB C 13 39.589 0.085 . 1 . . . . 13 Y CB . 16168 1
108 . 1 1 13 13 TYR N N 15 121.914 0.123 . 1 . . . . 13 Y N . 16168 1
109 . 1 1 14 14 GLN H H 1 8.173 0.009 . 1 . . . . 14 Q HN . 16168 1
110 . 1 1 14 14 GLN HA H 1 4.222 0.008 . 1 . . . . 14 Q HA . 16168 1
111 . 1 1 14 14 GLN HB2 H 1 2.155 0.001 . 2 . . . . 14 Q HB# . 16168 1
112 . 1 1 14 14 GLN HB3 H 1 2.155 0.001 . 2 . . . . 14 Q HB# . 16168 1
113 . 1 1 14 14 GLN HG2 H 1 2.369 0.01 . 2 . . . . 14 Q HG# . 16168 1
114 . 1 1 14 14 GLN HG3 H 1 2.369 0.01 . 2 . . . . 14 Q HG# . 16168 1
115 . 1 1 14 14 GLN CA C 13 57.621 0.084 . 1 . . . . 14 Q CA . 16168 1
116 . 1 1 14 14 GLN CB C 13 28.821 0.061 . 1 . . . . 14 Q CB . 16168 1
117 . 1 1 14 14 GLN N N 15 119.118 0.059 . 1 . . . . 14 Q N . 16168 1
118 . 1 1 15 15 SER H H 1 7.888 0.017 . 1 . . . . 15 S HN . 16168 1
119 . 1 1 15 15 SER HA H 1 4.485 0.013 . 1 . . . . 15 S HA . 16168 1
120 . 1 1 15 15 SER HB2 H 1 3.985 0.006 . 2 . . . . 15 S HB# . 16168 1
121 . 1 1 15 15 SER HB3 H 1 3.985 0.006 . 2 . . . . 15 S HB# . 16168 1
122 . 1 1 15 15 SER CA C 13 59.326 0.024 . 1 . . . . 15 S CA . 16168 1
123 . 1 1 15 15 SER CB C 13 64.123 0.032 . 1 . . . . 15 S CB . 16168 1
124 . 1 1 15 15 SER N N 15 114.275 0.065 . 1 . . . . 15 S N . 16168 1
125 . 1 1 16 16 LEU H H 1 7.791 0.013 . 1 . . . . 16 L HN . 16168 1
126 . 1 1 16 16 LEU HA H 1 4.43 0.016 . 1 . . . . 16 L HA . 16168 1
127 . 1 1 16 16 LEU HB2 H 1 1.892 0.007 . 2 . . . . 16 L HB# . 16168 1
128 . 1 1 16 16 LEU HB3 H 1 1.892 0.007 . 2 . . . . 16 L HB# . 16168 1
129 . 1 1 16 16 LEU HD11 H 1 1.023 0.008 . 2 . . . . 16 L HD1 . 16168 1
130 . 1 1 16 16 LEU HD12 H 1 1.023 0.008 . 2 . . . . 16 L HD1 . 16168 1
131 . 1 1 16 16 LEU HD13 H 1 1.023 0.008 . 2 . . . . 16 L HD1 . 16168 1
132 . 1 1 16 16 LEU HD21 H 1 1.023 0.008 . 2 . . . . 16 L HD2 . 16168 1
133 . 1 1 16 16 LEU HD22 H 1 1.023 0.008 . 2 . . . . 16 L HD2 . 16168 1
134 . 1 1 16 16 LEU HD23 H 1 1.023 0.008 . 2 . . . . 16 L HD2 . 16168 1
135 . 1 1 16 16 LEU HG H 1 1.672 0.012 . 1 . . . . 16 L HG . 16168 1
136 . 1 1 16 16 LEU CA C 13 55.849 0.044 . 1 . . . . 16 L CA . 16168 1
137 . 1 1 16 16 LEU CB C 13 43.036 0.081 . 1 . . . . 16 L CB . 16168 1
138 . 1 1 16 16 LEU N N 15 122.606 0.028 . 1 . . . . 16 L N . 16168 1
139 . 1 1 17 17 GLN H H 1 8.281 0.006 . 1 . . . . 17 Q HN . 16168 1
140 . 1 1 17 17 GLN HA H 1 4.426 0.008 . 1 . . . . 17 Q HA . 16168 1
141 . 1 1 17 17 GLN HB2 H 1 2.211 0.005 . 2 . . . . 17 Q HB# . 16168 1
142 . 1 1 17 17 GLN HB3 H 1 2.211 0.005 . 2 . . . . 17 Q HB# . 16168 1
143 . 1 1 17 17 GLN HG2 H 1 2.456 0.001 . 2 . . . . 17 Q HG# . 16168 1
144 . 1 1 17 17 GLN HG3 H 1 2.456 0.001 . 2 . . . . 17 Q HG# . 16168 1
145 . 1 1 17 17 GLN CA C 13 56.5 0.050 . 1 . . . . 17 Q CA . 16168 1
146 . 1 1 17 17 GLN CB C 13 29.338 0.090 . 1 . . . . 17 Q CB . 16168 1
147 . 1 1 17 17 GLN N N 15 120.232 0.059 . 1 . . . . 17 Q N . 16168 1
148 . 1 1 18 18 ILE H H 1 7.807 0.014 . 1 . . . . 18 I HN . 16168 1
149 . 1 1 18 18 ILE HA H 1 4.238 0.002 . 1 . . . . 18 I HA . 16168 1
150 . 1 1 18 18 ILE HB H 1 2.009 0.004 . 1 . . . . 18 I HB . 16168 1
151 . 1 1 18 18 ILE HD11 H 1 1.007 0.003 . 1 . . . . 18 I HD1# . 16168 1
152 . 1 1 18 18 ILE HD12 H 1 1.007 0.003 . 1 . . . . 18 I HD1# . 16168 1
153 . 1 1 18 18 ILE HD13 H 1 1.007 0.003 . 1 . . . . 18 I HD1# . 16168 1
154 . 1 1 18 18 ILE HG12 H 1 1.645 0.007 . 1 . . . . 18 I HG11 . 16168 1
155 . 1 1 18 18 ILE HG13 H 1 1.308 0.002 . 1 . . . . 18 I HG12 . 16168 1
156 . 1 1 18 18 ILE HG21 H 1 1.034 0.005 . 1 . . . . 18 I HG2# . 16168 1
157 . 1 1 18 18 ILE HG22 H 1 1.034 0.005 . 1 . . . . 18 I HG2# . 16168 1
158 . 1 1 18 18 ILE HG23 H 1 1.034 0.005 . 1 . . . . 18 I HG2# . 16168 1
159 . 1 1 18 18 ILE CA C 13 61.932 0.121 . 1 . . . . 18 I CA . 16168 1
160 . 1 1 18 18 ILE CB C 13 38.997 0.089 . 1 . . . . 18 I CB . 16168 1
161 . 1 1 18 18 ILE N N 15 118.727 0.028 . 1 . . . . 18 I N . 16168 1
162 . 1 1 19 19 GLY H H 1 8.106 0.019 . 1 . . . . 19 G HN . 16168 1
163 . 1 1 19 19 GLY HA2 H 1 4.054 0.002 . 2 . . . . 19 G HA# . 16168 1
164 . 1 1 19 19 GLY HA3 H 1 4.054 0.002 . 2 . . . . 19 G HA# . 16168 1
165 . 1 1 19 19 GLY CA C 13 46.338 0.078 . 1 . . . . 19 G CA . 16168 1
166 . 1 1 19 19 GLY N N 15 109.552 0.066 . 1 . . . . 19 G N . 16168 1
167 . 1 1 20 20 GLY H H 1 8.305 0.025 . 1 . . . . 20 G HN . 16168 1
168 . 1 1 20 20 GLY HA2 H 1 3.877 0.004 . 2 . . . . 20 G HA# . 16168 1
169 . 1 1 20 20 GLY HA3 H 1 3.877 0.004 . 2 . . . . 20 G HA# . 16168 1
170 . 1 1 20 20 GLY CA C 13 47.746 0.062 . 1 . . . . 20 G CA . 16168 1
171 . 1 1 20 20 GLY N N 15 107.332 0.073 . 1 . . . . 20 G N . 16168 1
172 . 1 1 21 21 LEU H H 1 8.046 0.006 . 1 . . . . 21 L HN . 16168 1
173 . 1 1 21 21 LEU HA H 1 4.172 0.008 . 1 . . . . 21 L HA . 16168 1
174 . 1 1 21 21 LEU HB2 H 1 1.998 0.012 . 2 . . . . 21 L HB# . 16168 1
175 . 1 1 21 21 LEU HB3 H 1 1.998 0.012 . 2 . . . . 21 L HB# . 16168 1
176 . 1 1 21 21 LEU HD11 H 1 1 0.015 . 2 . . . . 21 L HD1 . 16168 1
177 . 1 1 21 21 LEU HD12 H 1 1 0.015 . 2 . . . . 21 L HD1 . 16168 1
178 . 1 1 21 21 LEU HD13 H 1 1 0.015 . 2 . . . . 21 L HD1 . 16168 1
179 . 1 1 21 21 LEU HD21 H 1 1 0.015 . 2 . . . . 21 L HD2 . 16168 1
180 . 1 1 21 21 LEU HD22 H 1 1 0.015 . 2 . . . . 21 L HD2 . 16168 1
181 . 1 1 21 21 LEU HD23 H 1 1 0.015 . 2 . . . . 21 L HD2 . 16168 1
182 . 1 1 21 21 LEU HG H 1 1.654 0.014 . 1 . . . . 21 L HG . 16168 1
183 . 1 1 21 21 LEU CA C 13 58.14 0.037 . 1 . . . . 21 L CA . 16168 1
184 . 1 1 21 21 LEU CB C 13 41.812 0.151 . 1 . . . . 21 L CB . 16168 1
185 . 1 1 21 21 LEU N N 15 119.906 0.087 . 1 . . . . 21 L N . 16168 1
186 . 1 1 22 22 VAL H H 1 7.716 0.018 . 1 . . . . 22 V HN . 16168 1
187 . 1 1 22 22 VAL HA H 1 3.691 0.006 . 1 . . . . 22 V HA . 16168 1
188 . 1 1 22 22 VAL HB H 1 2.34 0.002 . 1 . . . . 22 V HB . 16168 1
189 . 1 1 22 22 VAL HG11 H 1 1.178 0.003 . 1 . . . . 22 V HG1# . 16168 1
190 . 1 1 22 22 VAL HG12 H 1 1.178 0.003 . 1 . . . . 22 V HG1# . 16168 1
191 . 1 1 22 22 VAL HG13 H 1 1.178 0.003 . 1 . . . . 22 V HG1# . 16168 1
192 . 1 1 22 22 VAL HG21 H 1 1.024 0.005 . 1 . . . . 22 V HG2# . 16168 1
193 . 1 1 22 22 VAL HG22 H 1 1.024 0.005 . 1 . . . . 22 V HG2# . 16168 1
194 . 1 1 22 22 VAL HG23 H 1 1.024 0.005 . 1 . . . . 22 V HG2# . 16168 1
195 . 1 1 22 22 VAL CA C 13 66.872 0.110 . 1 . . . . 22 V CA . 16168 1
196 . 1 1 22 22 VAL CB C 13 67.29 0.058 . 1 . . . . 22 V CB . 16168 1
197 . 1 1 22 22 VAL N N 15 117.489 0.046 . 1 . . . . 22 V N . 16168 1
198 . 1 1 23 23 ILE H H 1 7.707 0.012 . 1 . . . . 23 I HN . 16168 1
199 . 1 1 23 23 ILE HA H 1 3.679 0.002 . 1 . . . . 23 I HA . 16168 1
200 . 1 1 23 23 ILE HB H 1 2.056 0.001 . 1 . . . . 23 I HB . 16168 1
201 . 1 1 23 23 ILE HD11 H 1 0.955 0.019 . 1 . . . . 23 I HD1# . 16168 1
202 . 1 1 23 23 ILE HD12 H 1 0.955 0.019 . 1 . . . . 23 I HD1# . 16168 1
203 . 1 1 23 23 ILE HD13 H 1 0.955 0.019 . 1 . . . . 23 I HD1# . 16168 1
204 . 1 1 23 23 ILE HG12 H 1 1.802 0.002 . 1 . . . . 23 I HG12 . 16168 1
205 . 1 1 23 23 ILE HG21 H 1 0.941 0.014 . 1 . . . . 23 I HG2# . 16168 1
206 . 1 1 23 23 ILE HG22 H 1 0.941 0.014 . 1 . . . . 23 I HG2# . 16168 1
207 . 1 1 23 23 ILE HG23 H 1 0.941 0.014 . 1 . . . . 23 I HG2# . 16168 1
208 . 1 1 23 23 ILE CA C 13 65.219 0.064 . 1 . . . . 23 I CA . 16168 1
209 . 1 1 23 23 ILE CB C 13 39.538 0.101 . 1 . . . . 23 I CB . 16168 1
210 . 1 1 23 23 ILE N N 15 117.9 0.029 . 1 . . . . 23 I N . 16168 1
211 . 1 1 24 24 ALA H H 1 8.248 0.011 . 1 . . . . 24 A HN . 16168 1
212 . 1 1 24 24 ALA HB1 H 1 1.506 0.004 . 1 . . . . 24 A HB# . 16168 1
213 . 1 1 24 24 ALA HB2 H 1 1.506 0.004 . 1 . . . . 24 A HB# . 16168 1
214 . 1 1 24 24 ALA HB3 H 1 1.506 0.004 . 1 . . . . 24 A HB# . 16168 1
215 . 1 1 24 24 ALA CA C 13 55.723 0.094 . 1 . . . . 24 A CA . 16168 1
216 . 1 1 24 24 ALA CB C 13 18.223 0.080 . 1 . . . . 24 A CB . 16168 1
217 . 1 1 24 24 ALA N N 15 120.166 0.164 . 1 . . . . 24 A N . 16168 1
218 . 1 1 25 25 GLY H H 1 8.482 0.023 . 1 . . . . 25 G HN . 16168 1
219 . 1 1 25 25 GLY HA2 H 1 3.781 0.006 . 1 . . . . 25 G HA1 . 16168 1
220 . 1 1 25 25 GLY HA3 H 1 3.692 0.01 . 1 . . . . 25 G HA2 . 16168 1
221 . 1 1 25 25 GLY CA C 13 47.86 0.104 . 1 . . . . 25 G CA . 16168 1
222 . 1 1 25 25 GLY N N 15 103.943 0.067 . 1 . . . . 25 G N . 16168 1
223 . 1 1 26 26 ILE H H 1 8.401 0.017 . 1 . . . . 26 I HN . 16168 1
224 . 1 1 26 26 ILE HA H 1 3.715 0.016 . 1 . . . . 26 I HA . 16168 1
225 . 1 1 26 26 ILE HB H 1 2.058 0.005 . 1 . . . . 26 I HB . 16168 1
226 . 1 1 26 26 ILE HG21 H 1 0.899 0.011 . 1 . . . . 26 I HG2# . 16168 1
227 . 1 1 26 26 ILE HG22 H 1 0.899 0.011 . 1 . . . . 26 I HG2# . 16168 1
228 . 1 1 26 26 ILE HG23 H 1 0.899 0.011 . 1 . . . . 26 I HG2# . 16168 1
229 . 1 1 26 26 ILE CA C 13 65.719 0.114 . 1 . . . . 26 I CA . 16168 1
230 . 1 1 26 26 ILE CB C 13 38.043 0.091 . 1 . . . . 26 I CB . 16168 1
231 . 1 1 26 26 ILE N N 15 120.944 0.083 . 1 . . . . 26 I N . 16168 1
232 . 1 1 27 27 LEU H H 1 8.303 0.012 . 1 . . . . 27 L HN . 16168 1
233 . 1 1 27 27 LEU HA H 1 4.011 0.003 . 1 . . . . 27 L HA . 16168 1
234 . 1 1 27 27 LEU HB2 H 1 2.015 0.005 . 2 . . . . 27 L HB# . 16168 1
235 . 1 1 27 27 LEU HB3 H 1 2.015 0.005 . 2 . . . . 27 L HB# . 16168 1
236 . 1 1 27 27 LEU HD11 H 1 0.863 0.009 . 2 . . . . 27 L HD1 . 16168 1
237 . 1 1 27 27 LEU HD12 H 1 0.863 0.009 . 2 . . . . 27 L HD1 . 16168 1
238 . 1 1 27 27 LEU HD13 H 1 0.863 0.009 . 2 . . . . 27 L HD1 . 16168 1
239 . 1 1 27 27 LEU HD21 H 1 0.863 0.009 . 2 . . . . 27 L HD2 . 16168 1
240 . 1 1 27 27 LEU HD22 H 1 0.863 0.009 . 2 . . . . 27 L HD2 . 16168 1
241 . 1 1 27 27 LEU HD23 H 1 0.863 0.009 . 2 . . . . 27 L HD2 . 16168 1
242 . 1 1 27 27 LEU HG H 1 1.463 0.005 . 1 . . . . 27 L HG . 16168 1
243 . 1 1 27 27 LEU CA C 13 58.586 0.124 . 1 . . . . 27 L CA . 16168 1
244 . 1 1 27 27 LEU CB C 13 41.728 0.180 . 1 . . . . 27 L CB . 16168 1
245 . 1 1 27 27 LEU N N 15 118.806 0.115 . 1 . . . . 27 L N . 16168 1
246 . 1 1 28 28 PHE H H 1 8.568 0.01 . 1 . . . . 28 F HN . 16168 1
247 . 1 1 28 28 PHE HA H 1 4.238 0.002 . 1 . . . . 28 F HA . 16168 1
248 . 1 1 28 28 PHE HB2 H 1 3.293 0.004 . 2 . . . . 28 F HB# . 16168 1
249 . 1 1 28 28 PHE HB3 H 1 3.293 0.004 . 2 . . . . 28 F HB# . 16168 1
250 . 1 1 28 28 PHE HD1 H 1 7.122 0.002 . 3 . . . . 28 F HD# . 16168 1
251 . 1 1 28 28 PHE HD2 H 1 7.122 0.002 . 3 . . . . 28 F HD# . 16168 1
252 . 1 1 28 28 PHE CA C 13 61.596 0.089 . 1 . . . . 28 F CA . 16168 1
253 . 1 1 28 28 PHE CB C 13 39.69 0.102 . 1 . . . . 28 F CB . 16168 1
254 . 1 1 28 28 PHE N N 15 118.499 0.021 . 1 . . . . 28 F N . 16168 1
255 . 1 1 29 29 ILE H H 1 8.247 0.006 . 1 . . . . 29 I HN . 16168 1
256 . 1 1 29 29 ILE HA H 1 3.607 0.01 . 1 . . . . 29 I HA . 16168 1
257 . 1 1 29 29 ILE HB H 1 2.117 0.006 . 1 . . . . 29 I HB . 16168 1
258 . 1 1 29 29 ILE HG12 H 1 1.293 0.007 . 2 . . . . 29 I HG1# . 16168 1
259 . 1 1 29 29 ILE HG13 H 1 1.293 0.007 . 2 . . . . 29 I HG1# . 16168 1
260 . 1 1 29 29 ILE HG21 H 1 0.892 0.008 . 1 . . . . 29 I HG2# . 16168 1
261 . 1 1 29 29 ILE HG22 H 1 0.892 0.008 . 1 . . . . 29 I HG2# . 16168 1
262 . 1 1 29 29 ILE HG23 H 1 0.892 0.008 . 1 . . . . 29 I HG2# . 16168 1
263 . 1 1 29 29 ILE CA C 13 65.048 0.128 . 1 . . . . 29 I CA . 16168 1
264 . 1 1 29 29 ILE CB C 13 37.293 0.154 . 1 . . . . 29 I CB . 16168 1
265 . 1 1 29 29 ILE N N 15 117.892 0.035 . 1 . . . . 29 I N . 16168 1
266 . 1 1 30 30 LEU H H 1 8.624 0.013 . 1 . . . . 30 L HN . 16168 1
267 . 1 1 30 30 LEU HA H 1 4.012 0.006 . 1 . . . . 30 L HA . 16168 1
268 . 1 1 30 30 LEU HB2 H 1 1.934 0.003 . 2 . . . . 30 L HB# . 16168 1
269 . 1 1 30 30 LEU HB3 H 1 1.934 0.003 . 2 . . . . 30 L HB# . 16168 1
270 . 1 1 30 30 LEU HD11 H 1 0.863 0.009 . 2 . . . . 30 L HD1 . 16168 1
271 . 1 1 30 30 LEU HD12 H 1 0.863 0.009 . 2 . . . . 30 L HD1 . 16168 1
272 . 1 1 30 30 LEU HD13 H 1 0.863 0.009 . 2 . . . . 30 L HD1 . 16168 1
273 . 1 1 30 30 LEU HD21 H 1 0.863 0.009 . 2 . . . . 30 L HD2 . 16168 1
274 . 1 1 30 30 LEU HD22 H 1 0.863 0.009 . 2 . . . . 30 L HD2 . 16168 1
275 . 1 1 30 30 LEU HD23 H 1 0.863 0.009 . 2 . . . . 30 L HD2 . 16168 1
276 . 1 1 30 30 LEU HG H 1 1.555 0.015 . 1 . . . . 30 L HG . 16168 1
277 . 1 1 30 30 LEU CA C 13 58.624 0.145 . 1 . . . . 30 L CA . 16168 1
278 . 1 1 30 30 LEU CB C 13 42.011 0.102 . 1 . . . . 30 L CB . 16168 1
279 . 1 1 30 30 LEU N N 15 119.146 0.091 . 1 . . . . 30 L N . 16168 1
280 . 1 1 31 31 GLY H H 1 8.754 0.021 . 1 . . . . 31 G HN . 16168 1
281 . 1 1 31 31 GLY HA2 H 1 3.643 0.008 . 2 . . . . 31 G HA# . 16168 1
282 . 1 1 31 31 GLY HA3 H 1 3.643 0.008 . 2 . . . . 31 G HA# . 16168 1
283 . 1 1 31 31 GLY CA C 13 48.068 0.154 . 1 . . . . 31 G CA . 16168 1
284 . 1 1 31 31 GLY N N 15 106 0.055 . 1 . . . . 31 G N . 16168 1
285 . 1 1 32 32 ILE H H 1 8.303 0.013 . 1 . . . . 32 I HN . 16168 1
286 . 1 1 32 32 ILE HA H 1 3.622 0.01 . 1 . . . . 32 I HA . 16168 1
287 . 1 1 32 32 ILE HB H 1 2.035 0.003 . 1 . . . . 32 I HB . 16168 1
288 . 1 1 32 32 ILE HD11 H 1 0.566 0.006 . 1 . . . . 32 I HD1# . 16168 1
289 . 1 1 32 32 ILE HD12 H 1 0.566 0.006 . 1 . . . . 32 I HD1# . 16168 1
290 . 1 1 32 32 ILE HD13 H 1 0.566 0.006 . 1 . . . . 32 I HD1# . 16168 1
291 . 1 1 32 32 ILE HG12 H 1 1.503 0.008 . 2 . . . . 32 I HG1# . 16168 1
292 . 1 1 32 32 ILE HG13 H 1 1.503 0.008 . 2 . . . . 32 I HG1# . 16168 1
293 . 1 1 32 32 ILE HG21 H 1 0.831 0.002 . 1 . . . . 32 I HG2# . 16168 1
294 . 1 1 32 32 ILE HG22 H 1 0.831 0.002 . 1 . . . . 32 I HG2# . 16168 1
295 . 1 1 32 32 ILE HG23 H 1 0.831 0.002 . 1 . . . . 32 I HG2# . 16168 1
296 . 1 1 32 32 ILE CA C 13 65.126 0.135 . 1 . . . . 32 I CA . 16168 1
297 . 1 1 32 32 ILE CB C 13 39.126 0.090 . 1 . . . . 32 I CB . 16168 1
298 . 1 1 32 32 ILE N N 15 120.84 0.062 . 1 . . . . 32 I N . 16168 1
299 . 1 1 33 33 LEU H H 1 8.388 0.014 . 1 . . . . 33 L HN . 16168 1
300 . 1 1 33 33 LEU HA H 1 4.042 0.008 . 1 . . . . 33 L HA . 16168 1
301 . 1 1 33 33 LEU HB2 H 1 2.057 0.047 . 2 . . . . 33 L HB# . 16168 1
302 . 1 1 33 33 LEU HB3 H 1 2.057 0.047 . 2 . . . . 33 L HB# . 16168 1
303 . 1 1 33 33 LEU HD11 H 1 0.876 0.004 . 2 . . . . 33 L HD1 . 16168 1
304 . 1 1 33 33 LEU HD12 H 1 0.876 0.004 . 2 . . . . 33 L HD1 . 16168 1
305 . 1 1 33 33 LEU HD13 H 1 0.876 0.004 . 2 . . . . 33 L HD1 . 16168 1
306 . 1 1 33 33 LEU HD21 H 1 0.876 0.004 . 2 . . . . 33 L HD2 . 16168 1
307 . 1 1 33 33 LEU HD22 H 1 0.876 0.004 . 2 . . . . 33 L HD2 . 16168 1
308 . 1 1 33 33 LEU HD23 H 1 0.876 0.004 . 2 . . . . 33 L HD2 . 16168 1
309 . 1 1 33 33 LEU HG H 1 1.475 0.009 . 1 . . . . 33 L HG . 16168 1
310 . 1 1 33 33 LEU CA C 13 58.672 0.201 . 1 . . . . 33 L CA . 16168 1
311 . 1 1 33 33 LEU CB C 13 40.359 0.109 . 1 . . . . 33 L CB . 16168 1
312 . 1 1 33 33 LEU N N 15 119.523 0.106 . 1 . . . . 33 L N . 16168 1
313 . 1 1 34 34 ILE H H 1 8.703 0.015 . 1 . . . . 34 I HN . 16168 1
314 . 1 1 34 34 ILE HA H 1 3.685 0.004 . 1 . . . . 34 I HA . 16168 1
315 . 1 1 34 34 ILE HB H 1 2.153 0.007 . 1 . . . . 34 I HB . 16168 1
316 . 1 1 34 34 ILE HG21 H 1 0.932 0.009 . 1 . . . . 34 I HG2# . 16168 1
317 . 1 1 34 34 ILE HG22 H 1 0.932 0.009 . 1 . . . . 34 I HG2# . 16168 1
318 . 1 1 34 34 ILE HG23 H 1 0.932 0.009 . 1 . . . . 34 I HG2# . 16168 1
319 . 1 1 34 34 ILE CA C 13 66.12 0.174 . 1 . . . . 34 I CA . 16168 1
320 . 1 1 34 34 ILE CB C 13 37.627 0.128 . 1 . . . . 34 I CB . 16168 1
321 . 1 1 34 34 ILE N N 15 120.906 0.123 . 1 . . . . 34 I N . 16168 1
322 . 1 1 35 35 VAL H H 1 8.359 0.011 . 1 . . . . 35 V HN . 16168 1
323 . 1 1 35 35 VAL HA H 1 3.69 0.018 . 1 . . . . 35 V HA . 16168 1
324 . 1 1 35 35 VAL HB H 1 2.311 0.004 . 1 . . . . 35 V HB . 16168 1
325 . 1 1 35 35 VAL HG11 H 1 1.181 0.002 . 1 . . . . 35 V HG1# . 16168 1
326 . 1 1 35 35 VAL HG12 H 1 1.181 0.002 . 1 . . . . 35 V HG1# . 16168 1
327 . 1 1 35 35 VAL HG13 H 1 1.181 0.002 . 1 . . . . 35 V HG1# . 16168 1
328 . 1 1 35 35 VAL HG21 H 1 1.04 0.002 . 1 . . . . 35 V HG2# . 16168 1
329 . 1 1 35 35 VAL HG22 H 1 1.04 0.002 . 1 . . . . 35 V HG2# . 16168 1
330 . 1 1 35 35 VAL HG23 H 1 1.04 0.002 . 1 . . . . 35 V HG2# . 16168 1
331 . 1 1 35 35 VAL CA C 13 67.546 0.087 . 1 . . . . 35 V CA . 16168 1
332 . 1 1 35 35 VAL CB C 13 31.619 0.124 . 1 . . . . 35 V CB . 16168 1
333 . 1 1 35 35 VAL N N 15 120.794 0.072 . 1 . . . . 35 V N . 16168 1
334 . 1 1 36 36 LEU H H 1 9.002 0.011 . 1 . . . . 36 L HN . 16168 1
335 . 1 1 36 36 LEU HA H 1 4.095 0.014 . 1 . . . . 36 L HA . 16168 1
336 . 1 1 36 36 LEU HB2 H 1 2.011 0.003 . 2 . . . . 36 L HB# . 16168 1
337 . 1 1 36 36 LEU HB3 H 1 2.011 0.003 . 2 . . . . 36 L HB# . 16168 1
338 . 1 1 36 36 LEU HD11 H 1 0.926 0.003 . 2 . . . . 36 L HD1 . 16168 1
339 . 1 1 36 36 LEU HD12 H 1 0.926 0.003 . 2 . . . . 36 L HD1 . 16168 1
340 . 1 1 36 36 LEU HD13 H 1 0.926 0.003 . 2 . . . . 36 L HD1 . 16168 1
341 . 1 1 36 36 LEU HD21 H 1 0.926 0.003 . 2 . . . . 36 L HD2 . 16168 1
342 . 1 1 36 36 LEU HD22 H 1 0.926 0.003 . 2 . . . . 36 L HD2 . 16168 1
343 . 1 1 36 36 LEU HD23 H 1 0.926 0.003 . 2 . . . . 36 L HD2 . 16168 1
344 . 1 1 36 36 LEU HG H 1 1.595 0.01 . 1 . . . . 36 L HG . 16168 1
345 . 1 1 36 36 LEU CA C 13 58.589 0.115 . 1 . . . . 36 L CA . 16168 1
346 . 1 1 36 36 LEU CB C 13 42.017 0.115 . 1 . . . . 36 L CB . 16168 1
347 . 1 1 36 36 LEU N N 15 119.433 0.056 . 1 . . . . 36 L N . 16168 1
348 . 1 1 37 37 SER H H 1 8.585 0.011 . 1 . . . . 37 S HN . 16168 1
349 . 1 1 37 37 SER HA H 1 4.632 0.003 . 1 . . . . 37 S HA . 16168 1
350 . 1 1 37 37 SER HB2 H 1 4.065 0.002 . 2 . . . . 37 S HB# . 16168 1
351 . 1 1 37 37 SER HB3 H 1 4.065 0.002 . 2 . . . . 37 S HB# . 16168 1
352 . 1 1 37 37 SER CA C 13 62.896 0.057 . 1 . . . . 37 S CA . 16168 1
353 . 1 1 37 37 SER CB C 13 63.973 0.071 . 1 . . . . 37 S CB . 16168 1
354 . 1 1 37 37 SER N N 15 115.4 0.036 . 1 . . . . 37 S N . 16168 1
355 . 1 1 38 38 ARG H H 1 8.18 0.01 . 1 . . . . 38 R HN . 16168 1
356 . 1 1 38 38 ARG HA H 1 4.218 0.01 . 1 . . . . 38 R HA . 16168 1
357 . 1 1 38 38 ARG HB2 H 1 2.079 0.006 . 2 . . . . 38 R HB# . 16168 1
358 . 1 1 38 38 ARG HB3 H 1 2.079 0.006 . 2 . . . . 38 R HB# . 16168 1
359 . 1 1 38 38 ARG HD2 H 1 3.242 0.017 . 2 . . . . 38 R HD# . 16168 1
360 . 1 1 38 38 ARG HD3 H 1 3.242 0.017 . 2 . . . . 38 R HD# . 16168 1
361 . 1 1 38 38 ARG HG2 H 1 1.834 0.001 . 2 . . . . 38 R HG# . 16168 1
362 . 1 1 38 38 ARG HG3 H 1 1.834 0.001 . 2 . . . . 38 R HG# . 16168 1
363 . 1 1 38 38 ARG CA C 13 59.259 0.110 . 1 . . . . 38 R CA . 16168 1
364 . 1 1 38 38 ARG CB C 13 30.751 0.067 . 1 . . . . 38 R CB . 16168 1
365 . 1 1 38 38 ARG N N 15 121.516 0.045 . 1 . . . . 38 R N . 16168 1
366 . 1 1 39 39 ARG H H 1 8.362 0.007 . 1 . . . . 39 R HN . 16168 1
367 . 1 1 39 39 ARG HA H 1 4.373 0.003 . 1 . . . . 39 R HA . 16168 1
368 . 1 1 39 39 ARG HB2 H 1 2.09 0.008 . 2 . . . . 39 R HB# . 16168 1
369 . 1 1 39 39 ARG HB3 H 1 2.09 0.008 . 2 . . . . 39 R HB# . 16168 1
370 . 1 1 39 39 ARG HD2 H 1 3.247 0.007 . 2 . . . . 39 R HD# . 16168 1
371 . 1 1 39 39 ARG HD3 H 1 3.247 0.007 . 2 . . . . 39 R HD# . 16168 1
372 . 1 1 39 39 ARG HG2 H 1 1.877 0.012 . 2 . . . . 39 R HG# . 16168 1
373 . 1 1 39 39 ARG HG3 H 1 1.877 0.012 . 2 . . . . 39 R HG# . 16168 1
374 . 1 1 39 39 ARG CA C 13 58.095 0.141 . 1 . . . . 39 R CA . 16168 1
375 . 1 1 39 39 ARG CB C 13 30.581 0.210 . 1 . . . . 39 R CB . 16168 1
376 . 1 1 39 39 ARG N N 15 117.803 0.073 . 1 . . . . 39 R N . 16168 1
377 . 1 1 40 40 CYS H H 1 8.423 0.006 . 1 . . . . 40 C HN . 16168 1
378 . 1 1 40 40 CYS HA H 1 4.447 0.002 . 1 . . . . 40 C HA . 16168 1
379 . 1 1 40 40 CYS HB2 H 1 3.083 0.005 . 2 . . . . 40 C HB# . 16168 1
380 . 1 1 40 40 CYS HB3 H 1 3.083 0.005 . 2 . . . . 40 C HB# . 16168 1
381 . 1 1 40 40 CYS CA C 13 61.514 0.102 . 1 . . . . 40 C CA . 16168 1
382 . 1 1 40 40 CYS CB C 13 28.091 0.091 . 1 . . . . 40 C CB . 16168 1
383 . 1 1 40 40 CYS N N 15 116.351 0.069 . 1 . . . . 40 C N . 16168 1
384 . 1 1 41 41 ARG H H 1 8.095 0.004 . 1 . . . . 41 R HN . 16168 1
385 . 1 1 41 41 ARG HA H 1 4.204 0.011 . 1 . . . . 41 R HA . 16168 1
386 . 1 1 41 41 ARG HB2 H 1 2.078 0.002 . 2 . . . . 41 R HB# . 16168 1
387 . 1 1 41 41 ARG HB3 H 1 2.078 0.002 . 2 . . . . 41 R HB# . 16168 1
388 . 1 1 41 41 ARG HD2 H 1 3.325 0.001 . 2 . . . . 41 R HD# . 16168 1
389 . 1 1 41 41 ARG HD3 H 1 3.325 0.001 . 2 . . . . 41 R HD# . 16168 1
390 . 1 1 41 41 ARG HG2 H 1 1.856 0.002 . 2 . . . . 41 R HG# . 16168 1
391 . 1 1 41 41 ARG HG3 H 1 1.856 0.002 . 2 . . . . 41 R HG# . 16168 1
392 . 1 1 41 41 ARG CA C 13 58.876 0.102 . 1 . . . . 41 R CA . 16168 1
393 . 1 1 41 41 ARG CB C 13 30.227 0.110 . 1 . . . . 41 R CB . 16168 1
394 . 1 1 41 41 ARG N N 15 119.841 0.022 . 1 . . . . 41 R N . 16168 1
395 . 1 1 42 42 CYS H H 1 8.061 0.012 . 1 . . . . 42 C HN . 16168 1
396 . 1 1 42 42 CYS HA H 1 4.435 0.003 . 1 . . . . 42 C HA . 16168 1
397 . 1 1 42 42 CYS HB2 H 1 3.067 0.005 . 2 . . . . 42 C HB# . 16168 1
398 . 1 1 42 42 CYS HB3 H 1 3.067 0.005 . 2 . . . . 42 C HB# . 16168 1
399 . 1 1 42 42 CYS CA C 13 60.508 0.105 . 1 . . . . 42 C CA . 16168 1
400 . 1 1 42 42 CYS CB C 13 27.409 0.097 . 1 . . . . 42 C CB . 16168 1
401 . 1 1 42 42 CYS N N 15 116.22 0.073 . 1 . . . . 42 C N . 16168 1
402 . 1 1 43 43 LYS H H 1 7.936 0.011 . 1 . . . . 43 K HN . 16168 1
403 . 1 1 43 43 LYS HA H 1 4.244 0.006 . 1 . . . . 43 K HA . 16168 1
404 . 1 1 43 43 LYS HB2 H 1 1.792 0.003 . 2 . . . . 43 K HB# . 16168 1
405 . 1 1 43 43 LYS HB3 H 1 1.792 0.003 . 2 . . . . 43 K HB# . 16168 1
406 . 1 1 43 43 LYS HG2 H 1 1.387 0.013 . 2 . . . . 43 K HG# . 16168 1
407 . 1 1 43 43 LYS HG3 H 1 1.387 0.013 . 2 . . . . 43 K HG# . 16168 1
408 . 1 1 43 43 LYS CA C 13 57.48 0.111 . 1 . . . . 43 K CA . 16168 1
409 . 1 1 43 43 LYS CB C 13 32.888 0.148 . 1 . . . . 43 K CB . 16168 1
410 . 1 1 43 43 LYS N N 15 120.337 0.047 . 1 . . . . 43 K N . 16168 1
411 . 1 1 44 44 PHE H H 1 7.966 0.01 . 1 . . . . 44 F HN . 16168 1
412 . 1 1 44 44 PHE HA H 1 4.664 0.005 . 1 . . . . 44 F HA . 16168 1
413 . 1 1 44 44 PHE HB2 H 1 3.346 0.005 . 1 . . . . 44 F HB1 . 16168 1
414 . 1 1 44 44 PHE HB3 H 1 3.113 0.005 . 1 . . . . 44 F HB2 . 16168 1
415 . 1 1 44 44 PHE HD1 H 1 7.369 0.003 . 3 . . . . 44 F HD# . 16168 1
416 . 1 1 44 44 PHE HD2 H 1 7.369 0.003 . 3 . . . . 44 F HD# . 16168 1
417 . 1 1 44 44 PHE CA C 13 58.606 0.210 . 1 . . . . 44 F CA . 16168 1
418 . 1 1 44 44 PHE CB C 13 39.452 0.1 . 1 . . . . 44 F CB . 16168 1
419 . 1 1 44 44 PHE N N 15 118.202 0.03 . 1 . . . . 44 F N . 16168 1
420 . 1 1 45 45 ASN H H 1 8.147 0.014 . 1 . . . . 45 N HN . 16168 1
421 . 1 1 45 45 ASN HA H 1 4.771 0.006 . 1 . . . . 45 N HA . 16168 1
422 . 1 1 45 45 ASN HB2 H 1 2.923 0.008 . 2 . . . . 45 N HB# . 16168 1
423 . 1 1 45 45 ASN HB3 H 1 2.923 0.008 . 2 . . . . 45 N HB# . 16168 1
424 . 1 1 45 45 ASN HD21 H 1 7.548 0.009 . 1 . . . . 45 N HD21 . 16168 1
425 . 1 1 45 45 ASN HD22 H 1 6.871 0.006 . 1 . . . . 45 N HD22 . 16168 1
426 . 1 1 45 45 ASN CA C 13 53.951 0.110 . 1 . . . . 45 N CA . 16168 1
427 . 1 1 45 45 ASN CB C 13 39.301 0.152 . 1 . . . . 45 N CB . 16168 1
428 . 1 1 45 45 ASN N N 15 118.296 0.039 . 1 . . . . 45 N N . 16168 1
429 . 1 1 45 45 ASN ND2 N 15 111.821 0.029 . 1 . . . . 45 N ND2 . 16168 1
430 . 1 1 46 46 GLN H H 1 8.209 0.009 . 1 . . . . 46 Q HN . 16168 1
431 . 1 1 46 46 GLN HA H 1 4.344 0.004 . 1 . . . . 46 Q HA . 16168 1
432 . 1 1 46 46 GLN HB2 H 1 2.254 0.005 . 1 . . . . 46 Q HB1 . 16168 1
433 . 1 1 46 46 GLN HB3 H 1 2.128 0.003 . 1 . . . . 46 Q HB2 . 16168 1
434 . 1 1 46 46 GLN HG2 H 1 2.472 0.004 . 2 . . . . 46 Q HG# . 16168 1
435 . 1 1 46 46 GLN HG3 H 1 2.472 0.004 . 2 . . . . 46 Q HG# . 16168 1
436 . 1 1 46 46 GLN CA C 13 56.832 0.124 . 1 . . . . 46 Q CA . 16168 1
437 . 1 1 46 46 GLN CB C 13 29.314 0.087 . 1 . . . . 46 Q CB . 16168 1
438 . 1 1 46 46 GLN N N 15 119.469 0.092 . 1 . . . . 46 Q N . 16168 1
439 . 1 1 47 47 GLN H H 1 8.221 0.011 . 1 . . . . 47 Q HN . 16168 1
440 . 1 1 47 47 GLN CA C 13 56.832 0.115 . 1 . . . . 47 Q CA . 16168 1
441 . 1 1 47 47 GLN CB C 13 29.314 0.184 . 1 . . . . 47 Q CB . 16168 1
442 . 1 1 47 47 GLN N N 15 119.452 0.142 . 1 . . . . 47 Q N . 16168 1
443 . 1 1 48 48 GLN H H 1 8.058 0.01 . 1 . . . . 48 Q HN . 16168 1
444 . 1 1 48 48 GLN HA H 1 4.394 0.004 . 1 . . . . 48 Q HA . 16168 1
445 . 1 1 48 48 GLN HB2 H 1 2.18 0.01 . 1 . . . . 48 Q HB1 . 16168 1
446 . 1 1 48 48 GLN HB3 H 1 2.078 0.01 . 1 . . . . 48 Q HB2 . 16168 1
447 . 1 1 48 48 GLN HG2 H 1 2.431 0.0 . 2 . . . . 48 Q HG# . 16168 1
448 . 1 1 48 48 GLN HG3 H 1 2.431 0.0 . 2 . . . . 48 Q HG# . 16168 1
449 . 1 1 48 48 GLN CA C 13 56.6 0.113 . 1 . . . . 48 Q CA . 16168 1
450 . 1 1 48 48 GLN CB C 13 29.578 0.078 . 1 . . . . 48 Q CB . 16168 1
451 . 1 1 48 48 GLN N N 15 119.642 0.066 . 1 . . . . 48 Q N . 16168 1
452 . 1 1 49 49 ARG H H 1 8.255 0.007 . 1 . . . . 49 R HN . 16168 1
453 . 1 1 49 49 ARG HA H 1 4.475 0.004 . 1 . . . . 49 R HA . 16168 1
454 . 1 1 49 49 ARG HB2 H 1 1.974 0.001 . 1 . . . . 49 R HB1 . 16168 1
455 . 1 1 49 49 ARG HB3 H 1 1.905 0.009 . 1 . . . . 49 R HB2 . 16168 1
456 . 1 1 49 49 ARG HD2 H 1 3.285 0.011 . 2 . . . . 49 R HD# . 16168 1
457 . 1 1 49 49 ARG HD3 H 1 3.285 0.011 . 2 . . . . 49 R HD# . 16168 1
458 . 1 1 49 49 ARG HG2 H 1 1.732 0.003 . 2 . . . . 49 R HG# . 16168 1
459 . 1 1 49 49 ARG HG3 H 1 1.732 0.003 . 2 . . . . 49 R HG# . 16168 1
460 . 1 1 49 49 ARG CA C 13 56.569 0.215 . 1 . . . . 49 R CA . 16168 1
461 . 1 1 49 49 ARG CB C 13 30.919 0.097 . 1 . . . . 49 R CB . 16168 1
462 . 1 1 49 49 ARG N N 15 121.599 0.024 . 1 . . . . 49 R N . 16168 1
463 . 1 1 50 50 THR H H 1 8.113 0.016 . 1 . . . . 50 T HN . 16168 1
464 . 1 1 50 50 THR HA H 1 4.438 0.097 . 1 . . . . 50 T HA . 16168 1
465 . 1 1 50 50 THR HB H 1 4.355 0.006 . 1 . . . . 50 T HB . 16168 1
466 . 1 1 50 50 THR HG21 H 1 1.287 0.003 . 1 . . . . 50 T HG2# . 16168 1
467 . 1 1 50 50 THR HG22 H 1 1.287 0.003 . 1 . . . . 50 T HG2# . 16168 1
468 . 1 1 50 50 THR HG23 H 1 1.287 0.003 . 1 . . . . 50 T HG2# . 16168 1
469 . 1 1 50 50 THR CA C 13 62.13 0.115 . 1 . . . . 50 T CA . 16168 1
470 . 1 1 50 50 THR CB C 13 70.38 0.097 . 1 . . . . 50 T CB . 16168 1
471 . 1 1 50 50 THR N N 15 113.66 0.033 . 1 . . . . 50 T N . 16168 1
472 . 1 1 51 51 GLY H H 1 8.296 0.021 . 1 . . . . 51 G HN . 16168 1
473 . 1 1 51 51 GLY HA2 H 1 4.06 0.002 . 2 . . . . 51 G HA# . 16168 1
474 . 1 1 51 51 GLY HA3 H 1 4.06 0.002 . 2 . . . . 51 G HA# . 16168 1
475 . 1 1 51 51 GLY CA C 13 45.374 0.148 . 1 . . . . 51 G CA . 16168 1
476 . 1 1 51 51 GLY N N 15 110.876 0.044 . 1 . . . . 51 G N . 16168 1
477 . 1 1 52 52 GLU H H 1 8.153 0.007 . 1 . . . . 52 E HN . 16168 1
478 . 1 1 52 52 GLU HA H 1 4.729 0.004 . 1 . . . . 52 E HA . 16168 1
479 . 1 1 52 52 GLU HB2 H 1 1.973 0.001 . 2 . . . . 52 E HB# . 16168 1
480 . 1 1 52 52 GLU HB3 H 1 1.973 0.001 . 2 . . . . 52 E HB# . 16168 1
481 . 1 1 52 52 GLU HG2 H 1 2.463 0.002 . 1 . . . . 52 E HG1 . 16168 1
482 . 1 1 52 52 GLU HG3 H 1 2.185 0.003 . 1 . . . . 52 E HG2 . 16168 1
483 . 1 1 52 52 GLU CA C 13 54.072 0.098 . 1 . . . . 52 E CA . 16168 1
484 . 1 1 52 52 GLU CB C 13 29.347 0.128 . 1 . . . . 52 E CB . 16168 1
485 . 1 1 52 52 GLU N N 15 120.834 0.054 . 1 . . . . 52 E N . 16168 1
486 . 1 1 53 53 PRO HA H 1 4.495 0.005 . 1 . . . . 53 P HA . 16168 1
487 . 1 1 53 53 PRO HB2 H 1 2.353 0.005 . 2 . . . . 53 P HB# . 16168 1
488 . 1 1 53 53 PRO HB3 H 1 2.353 0.005 . 2 . . . . 53 P HB# . 16168 1
489 . 1 1 53 53 PRO HD2 H 1 3.814 0.001 . 2 . . . . 53 P HD# . 16168 1
490 . 1 1 53 53 PRO HD3 H 1 3.814 0.001 . 2 . . . . 53 P HD# . 16168 1
491 . 1 1 53 53 PRO HG2 H 1 2.037 0.007 . 2 . . . . 53 P HG# . 16168 1
492 . 1 1 53 53 PRO HG3 H 1 2.037 0.007 . 2 . . . . 53 P HG# . 16168 1
493 . 1 1 53 53 PRO CA C 13 63.749 0.110 . 1 . . . . 53 P CA . 16168 1
494 . 1 1 53 53 PRO CB C 13 32.309 0.1 . 1 . . . . 53 P CB . 16168 1
495 . 1 1 54 54 ASP H H 1 8.402 0.009 . 1 . . . . 54 D HN . 16168 1
496 . 1 1 54 54 ASP HA H 1 4.677 0.002 . 1 . . . . 54 D HA . 16168 1
497 . 1 1 54 54 ASP HB2 H 1 2.826 0.005 . 2 . . . . 54 D HB# . 16168 1
498 . 1 1 54 54 ASP HB3 H 1 2.826 0.005 . 2 . . . . 54 D HB# . 16168 1
499 . 1 1 54 54 ASP CA C 13 54.21 0.105 . 1 . . . . 54 D CA . 16168 1
500 . 1 1 54 54 ASP CB C 13 40.375 0.187 . 1 . . . . 54 D CB . 16168 1
501 . 1 1 54 54 ASP N N 15 119.287 0.112 . 1 . . . . 54 D N . 16168 1
502 . 1 1 55 55 GLU H H 1 8.249 0.03 . 1 . . . . 55 E HN . 16168 1
503 . 1 1 55 55 GLU HA H 1 4.65 0.001 . 1 . . . . 55 E HA . 16168 1
504 . 1 1 55 55 GLU HB2 H 1 2.182 0.002 . 1 . . . . 55 E HB1 . 16168 1
505 . 1 1 55 55 GLU HB3 H 1 2.059 0.002 . 1 . . . . 55 E HB2 . 16168 1
506 . 1 1 55 55 GLU HG2 H 1 2.443 0.005 . 1 . . . . 55 E HG# . 16168 1
507 . 1 1 55 55 GLU HG3 H 1 2.443 0.005 . 1 . . . . 55 E HG# . 16168 1
508 . 1 1 55 55 GLU CA C 13 56.397 0.098 . 1 . . . . 55 E CA . 16168 1
509 . 1 1 55 55 GLU CB C 13 29.461 0.174 . 1 . . . . 55 E CB . 16168 1
510 . 1 1 55 55 GLU N N 15 120.671 0.175 . 1 . . . . 55 E N . 16168 1
511 . 1 1 56 56 GLU H H 1 8.257 0.01 . 1 . . . . 56 E HN . 16168 1
512 . 1 1 56 56 GLU HA H 1 4.396 0.033 . 1 . . . . 56 E HA . 16168 1
513 . 1 1 56 56 GLU HB2 H 1 2.182 0.009 . 1 . . . . 56 E HB1 . 16168 1
514 . 1 1 56 56 GLU HB3 H 1 2.064 0.008 . 1 . . . . 56 E HB2 . 16168 1
515 . 1 1 56 56 GLU HG2 H 1 2.439 0.008 . 2 . . . . 56 E HG# . 16168 1
516 . 1 1 56 56 GLU HG3 H 1 2.439 0.008 . 2 . . . . 56 E HG# . 16168 1
517 . 1 1 56 56 GLU CA C 13 56.414 0.141 . 1 . . . . 56 E CA . 16168 1
518 . 1 1 56 56 GLU CB C 13 29.461 0.128 . 1 . . . . 56 E CB . 16168 1
519 . 1 1 56 56 GLU N N 15 119.852 0.082 . 1 . . . . 56 E N . 16168 1
520 . 1 1 57 57 GLU H H 1 8.311 0.011 . 1 . . . . 57 E HN . 16168 1
521 . 1 1 57 57 GLU HA H 1 4.453 0.017 . 1 . . . . 57 E HA . 16168 1
522 . 1 1 57 57 GLU HB2 H 1 2.18 0.009 . 1 . . . . 57 E HB1 . 16168 1
523 . 1 1 57 57 GLU HB3 H 1 2.069 0.009 . 1 . . . . 57 E HB2 . 16168 1
524 . 1 1 57 57 GLU HG2 H 1 2.477 0.004 . 2 . . . . 57 E HG# . 16168 1
525 . 1 1 57 57 GLU HG3 H 1 2.477 0.004 . 2 . . . . 57 E HG# . 16168 1
526 . 1 1 57 57 GLU CA C 13 56.35 0.114 . 1 . . . . 57 E CA . 16168 1
527 . 1 1 57 57 GLU CB C 13 29.959 0.204 . 1 . . . . 57 E CB . 16168 1
528 . 1 1 57 57 GLU N N 15 121.046 0.07 . 1 . . . . 57 E N . 16168 1
529 . 1 1 58 58 GLY H H 1 8.407 0.016 . 1 . . . . 58 G HN . 16168 1
530 . 1 1 58 58 GLY HA2 H 1 4.19 0.002 . 2 . . . . 58 G HA# . 16168 1
531 . 1 1 58 58 GLY HA3 H 1 4.19 0.002 . 2 . . . . 58 G HA# . 16168 1
532 . 1 1 58 58 GLY CA C 13 45.841 0.161 . 1 . . . . 58 G CA . 16168 1
533 . 1 1 58 58 GLY N N 15 109.873 0.087 . 1 . . . . 58 G N . 16168 1
534 . 1 1 59 59 THR H H 1 8.141 0.012 . 1 . . . . 59 T HN . 16168 1
535 . 1 1 59 59 THR HA H 1 4.348 0.002 . 1 . . . . 59 T HA . 16168 1
536 . 1 1 59 59 THR HB H 1 4.355 0.003 . 1 . . . . 59 T HB . 16168 1
537 . 1 1 59 59 THR HG21 H 1 1.243 0.003 . 1 . . . . 59 T HG2# . 16168 1
538 . 1 1 59 59 THR HG22 H 1 1.243 0.003 . 1 . . . . 59 T HG2# . 16168 1
539 . 1 1 59 59 THR HG23 H 1 1.243 0.003 . 1 . . . . 59 T HG2# . 16168 1
540 . 1 1 59 59 THR CA C 13 63.622 0.121 . 1 . . . . 59 T CA . 16168 1
541 . 1 1 59 59 THR CB C 13 70.393 0.162 . 1 . . . . 59 T CB . 16168 1
542 . 1 1 59 59 THR N N 15 114.486 0.044 . 1 . . . . 59 T N . 16168 1
543 . 1 1 60 60 PHE H H 1 8.651 0.007 . 1 . . . . 60 F HN . 16168 1
544 . 1 1 60 60 PHE HA H 1 4.439 0.022 . 1 . . . . 60 F HA . 16168 1
545 . 1 1 60 60 PHE HB2 H 1 3.301 0.003 . 2 . . . . 60 F HB# . 16168 1
546 . 1 1 60 60 PHE HB3 H 1 3.301 0.003 . 2 . . . . 60 F HB# . 16168 1
547 . 1 1 60 60 PHE HD1 H 1 7.307 0.011 . 3 . . . . 60 F HD# . 16168 1
548 . 1 1 60 60 PHE HD2 H 1 7.307 0.011 . 3 . . . . 60 F HD# . 16168 1
549 . 1 1 60 60 PHE CA C 13 61.359 0.094 . 1 . . . . 60 F CA . 16168 1
550 . 1 1 60 60 PHE CB C 13 38.96 0.151 . 1 . . . . 60 F CB . 16168 1
551 . 1 1 60 60 PHE N N 15 123.173 0.042 . 1 . . . . 60 F N . 16168 1
552 . 1 1 61 61 ARG H H 1 8.247 0.008 . 1 . . . . 61 R HN . 16168 1
553 . 1 1 61 61 ARG HA H 1 3.932 0.016 . 1 . . . . 61 R HA . 16168 1
554 . 1 1 61 61 ARG HB2 H 1 1.936 0.004 . 2 . . . . 61 R HB# . 16168 1
555 . 1 1 61 61 ARG HB3 H 1 1.936 0.004 . 2 . . . . 61 R HB# . 16168 1
556 . 1 1 61 61 ARG HD2 H 1 3.303 0.003 . 2 . . . . 61 R HD# . 16168 1
557 . 1 1 61 61 ARG HD3 H 1 3.303 0.003 . 2 . . . . 61 R HD# . 16168 1
558 . 1 1 61 61 ARG HG2 H 1 1.742 0.004 . 2 . . . . 61 R HG# . 16168 1
559 . 1 1 61 61 ARG HG3 H 1 1.742 0.004 . 2 . . . . 61 R HG# . 16168 1
560 . 1 1 61 61 ARG CA C 13 59.472 0.067 . 1 . . . . 61 R CA . 16168 1
561 . 1 1 61 61 ARG CB C 13 30.162 0.115 . 1 . . . . 61 R CB . 16168 1
562 . 1 1 61 61 ARG N N 15 118.197 0.052 . 1 . . . . 61 R N . 16168 1
563 . 1 1 62 62 SER H H 1 8.098 0.008 . 1 . . . . 62 S HN . 16168 1
564 . 1 1 62 62 SER HA H 1 4.313 0.003 . 1 . . . . 62 S HA . 16168 1
565 . 1 1 62 62 SER HB2 H 1 4.025 0.007 . 2 . . . . 62 S HB# . 16168 1
566 . 1 1 62 62 SER HB3 H 1 4.025 0.007 . 2 . . . . 62 S HB# . 16168 1
567 . 1 1 62 62 SER CA C 13 61.112 0.137 . 1 . . . . 62 S CA . 16168 1
568 . 1 1 62 62 SER CB C 13 63.426 0.098 . 1 . . . . 62 S CB . 16168 1
569 . 1 1 62 62 SER N N 15 113.309 0.103 . 1 . . . . 62 S N . 16168 1
570 . 1 1 63 63 SER H H 1 8.05 0.014 . 1 . . . . 63 S HN . 16168 1
571 . 1 1 63 63 SER HA H 1 4.361 0.012 . 1 . . . . 63 S HA . 16168 1
572 . 1 1 63 63 SER HB2 H 1 4.068 0.004 . 1 . . . . 63 S HB1 . 16168 1
573 . 1 1 63 63 SER HB3 H 1 3.919 0.01 . 1 . . . . 63 S HB2 . 16168 1
574 . 1 1 63 63 SER CA C 13 61.816 0.125 . 1 . . . . 63 S CA . 16168 1
575 . 1 1 63 63 SER CB C 13 64.359 0.101 . 1 . . . . 63 S CB . 16168 1
576 . 1 1 63 63 SER N N 15 118.744 0.068 . 1 . . . . 63 S N . 16168 1
577 . 1 1 64 64 ILE H H 1 7.813 0.009 . 1 . . . . 64 I HN . 16168 1
578 . 1 1 64 64 ILE HA H 1 3.936 0.004 . 1 . . . . 64 I HA . 16168 1
579 . 1 1 64 64 ILE HB H 1 1.964 0.007 . 1 . . . . 64 I HB . 16168 1
580 . 1 1 64 64 ILE HD11 H 1 0.852 0.005 . 1 . . . . 64 I HD1# . 16168 1
581 . 1 1 64 64 ILE HD12 H 1 0.852 0.005 . 1 . . . . 64 I HD1# . 16168 1
582 . 1 1 64 64 ILE HD13 H 1 0.852 0.005 . 1 . . . . 64 I HD1# . 16168 1
583 . 1 1 64 64 ILE HG12 H 1 1.501 0.018 . 1 . . . . 64 I HG11 . 16168 1
584 . 1 1 64 64 ILE HG13 H 1 1.216 0.009 . 1 . . . . 64 I HG12 . 16168 1
585 . 1 1 64 64 ILE HG21 H 1 0.935 0.013 . 1 . . . . 64 I HG2# . 16168 1
586 . 1 1 64 64 ILE HG22 H 1 0.935 0.013 . 1 . . . . 64 I HG2# . 16168 1
587 . 1 1 64 64 ILE HG23 H 1 0.935 0.013 . 1 . . . . 64 I HG2# . 16168 1
588 . 1 1 64 64 ILE CA C 13 63.557 0.079 . 1 . . . . 64 I CA . 16168 1
589 . 1 1 64 64 ILE CB C 13 37.482 0.164 . 1 . . . . 64 I CB . 16168 1
590 . 1 1 64 64 ILE N N 15 120.616 0.034 . 1 . . . . 64 I N . 16168 1
591 . 1 1 65 65 ARG H H 1 7.863 0.012 . 1 . . . . 65 R HN . 16168 1
592 . 1 1 65 65 ARG HA H 1 4.207 0.001 . 1 . . . . 65 R HA . 16168 1
593 . 1 1 65 65 ARG HB2 H 1 2.014 0.005 . 2 . . . . 65 R HB# . 16168 1
594 . 1 1 65 65 ARG HB3 H 1 2.014 0.005 . 2 . . . . 65 R HB# . 16168 1
595 . 1 1 65 65 ARG HD2 H 1 3.304 0.009 . 2 . . . . 65 R HD# . 16168 1
596 . 1 1 65 65 ARG HD3 H 1 3.304 0.009 . 2 . . . . 65 R HD# . 16168 1
597 . 1 1 65 65 ARG HE H 1 7.28 0.001 . 1 . . . . 65 R HE . 16168 1
598 . 1 1 65 65 ARG HG2 H 1 1.743 0.009 . 2 . . . . 65 R HG# . 16168 1
599 . 1 1 65 65 ARG HG3 H 1 1.743 0.009 . 2 . . . . 65 R HG# . 16168 1
600 . 1 1 65 65 ARG CA C 13 58.617 0.10 . 1 . . . . 65 R CA . 16168 1
601 . 1 1 65 65 ARG CB C 13 30.088 0.178 . 1 . . . . 65 R CB . 16168 1
602 . 1 1 65 65 ARG N N 15 120.278 0.096 . 1 . . . . 65 R N . 16168 1
603 . 1 1 66 66 ARG H H 1 7.934 0.014 . 1 . . . . 66 R HN . 16168 1
604 . 1 1 66 66 ARG HA H 1 4.251 0.013 . 1 . . . . 66 R HA . 16168 1
605 . 1 1 66 66 ARG HB2 H 1 2.043 0.002 . 2 . . . . 66 R HB# . 16168 1
606 . 1 1 66 66 ARG HB3 H 1 2.043 0.002 . 2 . . . . 66 R HB# . 16168 1
607 . 1 1 66 66 ARG HD2 H 1 3.309 0.007 . 2 . . . . 66 R HD# . 16168 1
608 . 1 1 66 66 ARG HD3 H 1 3.309 0.007 . 2 . . . . 66 R HD# . 16168 1
609 . 1 1 66 66 ARG HG2 H 1 1.833 0.008 . 2 . . . . 66 R HG# . 16168 1
610 . 1 1 66 66 ARG HG3 H 1 1.833 0.008 . 2 . . . . 66 R HG# . 16168 1
611 . 1 1 66 66 ARG CA C 13 58.512 0.068 . 1 . . . . 66 R CA . 16168 1
612 . 1 1 66 66 ARG CB C 13 30.618 0.152 . 1 . . . . 66 R CB . 16168 1
613 . 1 1 66 66 ARG N N 15 119.07 0.049 . 1 . . . . 66 R N . 16168 1
614 . 1 1 67 67 LEU H H 1 8.014 0.006 . 1 . . . . 67 L HN . 16168 1
615 . 1 1 67 67 LEU HA H 1 4.259 0.008 . 1 . . . . 67 L HA . 16168 1
616 . 1 1 67 67 LEU HB2 H 1 1.932 0.002 . 2 . . . . 67 L HB# . 16168 1
617 . 1 1 67 67 LEU HB3 H 1 1.932 0.002 . 2 . . . . 67 L HB# . 16168 1
618 . 1 1 67 67 LEU HD11 H 1 0.995 0.009 . 2 . . . . 67 L HD1 . 16168 1
619 . 1 1 67 67 LEU HD12 H 1 0.995 0.009 . 2 . . . . 67 L HD1 . 16168 1
620 . 1 1 67 67 LEU HD13 H 1 0.995 0.009 . 2 . . . . 67 L HD1 . 16168 1
621 . 1 1 67 67 LEU HD21 H 1 0.995 0.009 . 2 . . . . 67 L HD2 . 16168 1
622 . 1 1 67 67 LEU HD22 H 1 0.995 0.009 . 2 . . . . 67 L HD2 . 16168 1
623 . 1 1 67 67 LEU HD23 H 1 0.995 0.009 . 2 . . . . 67 L HD2 . 16168 1
624 . 1 1 67 67 LEU HG H 1 1.73 0.002 . 1 . . . . 67 L HG . 16168 1
625 . 1 1 67 67 LEU CA C 13 57.012 0.147 . 1 . . . . 67 L CA . 16168 1
626 . 1 1 67 67 LEU CB C 13 42.398 0.18 . 1 . . . . 67 L CB . 16168 1
627 . 1 1 67 67 LEU N N 15 119.999 0.022 . 1 . . . . 67 L N . 16168 1
628 . 1 1 68 68 SER H H 1 8.091 0.007 . 1 . . . . 68 S HN . 16168 1
629 . 1 1 68 68 SER HA H 1 4.352 0.013 . 1 . . . . 68 S HA . 16168 1
630 . 1 1 68 68 SER HB2 H 1 4.04 0.006 . 2 . . . . 68 S HB# . 16168 1
631 . 1 1 68 68 SER HB3 H 1 4.04 0.006 . 2 . . . . 68 S HB# . 16168 1
632 . 1 1 68 68 SER CA C 13 60.421 0.112 . 1 . . . . 68 S CA . 16168 1
633 . 1 1 68 68 SER CB C 13 63.997 0.135 . 1 . . . . 68 S CB . 16168 1
634 . 1 1 68 68 SER N N 15 113.037 0.074 . 1 . . . . 68 S N . 16168 1
635 . 1 1 69 69 THR H H 1 7.765 0.016 . 1 . . . . 69 T HN . 16168 1
636 . 1 1 69 69 THR HB H 1 4.45 0.008 . 1 . . . . 69 T HB . 16168 1
637 . 1 1 69 69 THR HG21 H 1 1.366 0.003 . 1 . . . . 69 T HG2# . 16168 1
638 . 1 1 69 69 THR HG22 H 1 1.366 0.003 . 1 . . . . 69 T HG2# . 16168 1
639 . 1 1 69 69 THR HG23 H 1 1.366 0.003 . 1 . . . . 69 T HG2# . 16168 1
640 . 1 1 69 69 THR CA C 13 63.075 0.215 . 1 . . . . 69 T CA . 16168 1
641 . 1 1 69 69 THR CB C 13 69.994 0.164 . 1 . . . . 69 T CB . 16168 1
642 . 1 1 69 69 THR N N 15 113.132 0.075 . 1 . . . . 69 T N . 16168 1
643 . 1 1 70 70 ARG H H 1 7.915 0.013 . 1 . . . . 70 R HN . 16168 1
644 . 1 1 70 70 ARG HA H 1 4.402 0.001 . 1 . . . . 70 R HA . 16168 1
645 . 1 1 70 70 ARG HB2 H 1 2.095 0.004 . 1 . . . . 70 R HB1 . 16168 1
646 . 1 1 70 70 ARG HB3 H 1 1.953 0.006 . 1 . . . . 70 R HB2 . 16168 1
647 . 1 1 70 70 ARG HD2 H 1 3.304 0.001 . 2 . . . . 70 R HD# . 16168 1
648 . 1 1 70 70 ARG HD3 H 1 3.304 0.001 . 2 . . . . 70 R HD# . 16168 1
649 . 1 1 70 70 ARG HG2 H 1 1.815 0.004 . 2 . . . . 70 R HG# . 16168 1
650 . 1 1 70 70 ARG HG3 H 1 1.815 0.004 . 2 . . . . 70 R HG# . 16168 1
651 . 1 1 70 70 ARG CA C 13 57.068 0.115 . 1 . . . . 70 R CA . 16168 1
652 . 1 1 70 70 ARG CB C 13 30.778 0.203 . 1 . . . . 70 R CB . 16168 1
653 . 1 1 70 70 ARG N N 15 121.113 0.065 . 1 . . . . 70 R N . 16168 1
654 . 1 1 71 71 ARG H H 1 7.891 0.019 . 1 . . . . 71 R HN . 16168 1
655 . 1 1 71 71 ARG HA H 1 4.421 0.019 . 1 . . . . 71 R HA . 16168 1
656 . 1 1 71 71 ARG HB2 H 1 2.067 0.001 . 1 . . . . 71 R HB1 . 16168 1
657 . 1 1 71 71 ARG HB3 H 1 1.874 0.002 . 1 . . . . 71 R HB2 . 16168 1
658 . 1 1 71 71 ARG HD2 H 1 3.305 0.003 . 2 . . . . 71 R HD# . 16168 1
659 . 1 1 71 71 ARG HD3 H 1 3.305 0.003 . 2 . . . . 71 R HD# . 16168 1
660 . 1 1 71 71 ARG HG2 H 1 1.8 0.002 . 2 . . . . 71 R HG# . 16168 1
661 . 1 1 71 71 ARG HG3 H 1 1.8 0.002 . 2 . . . . 71 R HG# . 16168 1
662 . 1 1 71 71 ARG CA C 13 56.407 0.1 . 1 . . . . 71 R CA . 16168 1
663 . 1 1 71 71 ARG CB C 13 31.156 0.204 . 1 . . . . 71 R CB . 16168 1
664 . 1 1 71 71 ARG N N 15 118.899 0.147 . 1 . . . . 71 R N . 16168 1
665 . 1 1 72 72 ARG H H 1 7.804 0.006 . 1 . . . . 72 R HN . 16168 1
666 . 1 1 72 72 ARG HD2 H 1 3.281 0.008 . 2 . . . . 72 R HD# . 16168 1
667 . 1 1 72 72 ARG HD3 H 1 3.281 0.008 . 2 . . . . 72 R HD# . 16168 1
668 . 1 1 72 72 ARG CA C 13 57.289 0.131 . 1 . . . . 72 R CA . 16168 1
669 . 1 1 72 72 ARG CB C 13 31.414 0.097 . 1 . . . . 72 R CB . 16168 1
670 . 1 1 72 72 ARG N N 15 124.828 0.132 . 1 . . . . 72 R N . 16168 1
stop_
save_