data_18753
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 18753
_Entry.Title
;
Structure of the biofilm matrix promoter AbbA from B. subtilis
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2012-10-02
_Entry.Accession_date 2012-10-02
_Entry.Last_release_date 2013-09-10
_Entry.Original_release_date 2013-09-10
_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 .
_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 Benjamin Bobay . G. . 18753
2 Ashley Tucker . T. . 18753
3 Richard Losick . . . 18753
4 John Cavanagh . . . 18753
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' . 18753
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
AbrB . 18753
Biofilm . 18753
DNA-mimic . 18753
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 18753
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 274 18753
'15N chemical shifts' 68 18753
'1H chemical shifts' 443 18753
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 . . 2013-09-10 2012-10-02 original author . 18753
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2LZF 'BMRB Entry Tracking System' 18753
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 18753
_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 'Structure of the biofilm matrix promoter AbbA from B. subtilis'
_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 Ashley Tucker . T. . 18753 1
2 Benjamin Bobay . G. . 18753 1
3 Allison Banse . V. . 18753 1
4 Andrew Olson . L. . 18753 1
5 Richele Thompson . J. . 18753 1
6 Kristen Varney . M. . 18753 1
7 Richard Losick . . . 18753 1
8 John Cavanagh . . . 18753 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 18753
_Assembly.ID 1
_Assembly.Name 'biofilm matrix promoter AbbA from B. subtilis'
_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 'biofilm matrix promoter AbbA from B. subtilis, 1' 1 $entity A . yes native no no . . . 18753 1
2 'biofilm matrix promoter AbbA from B. subtilis, 2' 1 $entity B . yes native no no . . . 18753 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity
_Entity.Sf_category entity
_Entity.Sf_framecode entity
_Entity.Entry_ID 18753
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A,B
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GSHMRMSLIGERFTEEEQKL
LLNILINHEYAIELLSSEIN
DIETGTKNVDGTTYKKLVTL
YDRFRFEN
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details 'Residues 1-3 represent a non-native sequence left after cleavage of affinity 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 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 7989.087
_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 2LZF . "Structure Of The Biofilm Matrix Promoter Abba From B. Subtilis" . . . . . 100.00 68 100.00 100.00 1.16e-39 . . . . 18753 1
2 no DBJ BAI85022 . "hypothetical protein BSNT_07905 [Bacillus subtilis subsp. natto BEST195]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1
3 no DBJ BAM52057 . "hypothetical protein BEST7613_3126 [Synechocystis sp. PCC 6803]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1
4 no DBJ BAM57634 . "hypothetical protein BEST7003_1433 [Bacillus subtilis BEST7003]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1
5 no DBJ GAK78528 . "hypothetical protein BSMD_004250 [Bacillus subtilis Miyagi-4]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1
6 no EMBL CAB13285 . "regulator of AbrB repressor [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 95.59 65 100.00 100.00 6.08e-37 . . . . 18753 1
7 no EMBL CCU57976 . "hypothetical protein BSUBE1_1345 [Bacillus subtilis E1]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1
8 no EMBL CEI56592 . "hypothetical protein BS49_15890 [Bacillus subtilis]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1
9 no EMBL CEJ76998 . "hypothetical protein BS34A_15710 [Bacillus sp.]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1
10 no EMBL CJS26336 . "Uncharacterised protein [Streptococcus pneumoniae]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1
11 no GB ADM37499 . "conserved hypothetical protein [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1
12 no GB ADP31919 . "hypothetical protein BATR1942_04825 [Bacillus atrophaeus 1942]" . . . . . 92.65 63 98.41 100.00 4.92e-35 . . . . 18753 1
13 no GB ADV96430 . "hypothetical protein BSn5_19130 [Bacillus subtilis BSn5]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1
14 no GB AEP86387 . "conserved domain protein [Bacillus subtilis subsp. spizizenii TU-B-10]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1
15 no GB AEP90557 . "conserved domain protein [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1
16 no REF NP_389295 . "hypothetical protein BSU14120 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 95.59 65 100.00 100.00 6.08e-37 . . . . 18753 1
17 no REF WP_003218673 . "MULTISPECIES: hypothetical protein [Bacillales]" . . . . . 92.65 63 100.00 100.00 3.44e-35 . . . . 18753 1
18 no REF WP_003327264 . "MULTISPECIES: hypothetical protein [Bacillus subtilis group]" . . . . . 92.65 63 98.41 100.00 4.92e-35 . . . . 18753 1
19 no REF WP_010886502 . "hypothetical protein [Bacillus subtilis]" . . . . . 95.59 65 100.00 100.00 6.08e-37 . . . . 18753 1
20 no REF WP_046160339 . "hypothetical protein [Bacillus sp. CMAA 1185]" . . . . . 92.65 63 98.41 98.41 5.48e-34 . . . . 18753 1
21 no SP O31697 . "RecName: Full=Uncharacterized protein YkzF" . . . . . 95.59 65 100.00 100.00 6.08e-37 . . . . 18753 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 . 18753 1
2 . SER . 18753 1
3 . HIS . 18753 1
4 . MET . 18753 1
5 . ARG . 18753 1
6 . MET . 18753 1
7 . SER . 18753 1
8 . LEU . 18753 1
9 . ILE . 18753 1
10 . GLY . 18753 1
11 . GLU . 18753 1
12 . ARG . 18753 1
13 . PHE . 18753 1
14 . THR . 18753 1
15 . GLU . 18753 1
16 . GLU . 18753 1
17 . GLU . 18753 1
18 . GLN . 18753 1
19 . LYS . 18753 1
20 . LEU . 18753 1
21 . LEU . 18753 1
22 . LEU . 18753 1
23 . ASN . 18753 1
24 . ILE . 18753 1
25 . LEU . 18753 1
26 . ILE . 18753 1
27 . ASN . 18753 1
28 . HIS . 18753 1
29 . GLU . 18753 1
30 . TYR . 18753 1
31 . ALA . 18753 1
32 . ILE . 18753 1
33 . GLU . 18753 1
34 . LEU . 18753 1
35 . LEU . 18753 1
36 . SER . 18753 1
37 . SER . 18753 1
38 . GLU . 18753 1
39 . ILE . 18753 1
40 . ASN . 18753 1
41 . ASP . 18753 1
42 . ILE . 18753 1
43 . GLU . 18753 1
44 . THR . 18753 1
45 . GLY . 18753 1
46 . THR . 18753 1
47 . LYS . 18753 1
48 . ASN . 18753 1
49 . VAL . 18753 1
50 . ASP . 18753 1
51 . GLY . 18753 1
52 . THR . 18753 1
53 . THR . 18753 1
54 . TYR . 18753 1
55 . LYS . 18753 1
56 . LYS . 18753 1
57 . LEU . 18753 1
58 . VAL . 18753 1
59 . THR . 18753 1
60 . LEU . 18753 1
61 . TYR . 18753 1
62 . ASP . 18753 1
63 . ARG . 18753 1
64 . PHE . 18753 1
65 . ARG . 18753 1
66 . PHE . 18753 1
67 . GLU . 18753 1
68 . ASN . 18753 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 18753 1
. SER 2 2 18753 1
. HIS 3 3 18753 1
. MET 4 4 18753 1
. ARG 5 5 18753 1
. MET 6 6 18753 1
. SER 7 7 18753 1
. LEU 8 8 18753 1
. ILE 9 9 18753 1
. GLY 10 10 18753 1
. GLU 11 11 18753 1
. ARG 12 12 18753 1
. PHE 13 13 18753 1
. THR 14 14 18753 1
. GLU 15 15 18753 1
. GLU 16 16 18753 1
. GLU 17 17 18753 1
. GLN 18 18 18753 1
. LYS 19 19 18753 1
. LEU 20 20 18753 1
. LEU 21 21 18753 1
. LEU 22 22 18753 1
. ASN 23 23 18753 1
. ILE 24 24 18753 1
. LEU 25 25 18753 1
. ILE 26 26 18753 1
. ASN 27 27 18753 1
. HIS 28 28 18753 1
. GLU 29 29 18753 1
. TYR 30 30 18753 1
. ALA 31 31 18753 1
. ILE 32 32 18753 1
. GLU 33 33 18753 1
. LEU 34 34 18753 1
. LEU 35 35 18753 1
. SER 36 36 18753 1
. SER 37 37 18753 1
. GLU 38 38 18753 1
. ILE 39 39 18753 1
. ASN 40 40 18753 1
. ASP 41 41 18753 1
. ILE 42 42 18753 1
. GLU 43 43 18753 1
. THR 44 44 18753 1
. GLY 45 45 18753 1
. THR 46 46 18753 1
. LYS 47 47 18753 1
. ASN 48 48 18753 1
. VAL 49 49 18753 1
. ASP 50 50 18753 1
. GLY 51 51 18753 1
. THR 52 52 18753 1
. THR 53 53 18753 1
. TYR 54 54 18753 1
. LYS 55 55 18753 1
. LYS 56 56 18753 1
. LEU 57 57 18753 1
. VAL 58 58 18753 1
. THR 59 59 18753 1
. LEU 60 60 18753 1
. TYR 61 61 18753 1
. ASP 62 62 18753 1
. ARG 63 63 18753 1
. PHE 64 64 18753 1
. ARG 65 65 18753 1
. PHE 66 66 18753 1
. GLU 67 67 18753 1
. ASN 68 68 18753 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 18753
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis 168 . . . . . . . . . . . . . . . ykzF . . . . 18753 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 18753
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21(de3) . . . . . . . . . . . . . . . pET15b . . . . . . 18753 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 18753
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '20mM Tris (pH 6.5), 200mM NaCl, 1mM EDTA, 1mM DTT, 0.02% NaN3'
_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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 0.5 1.0 mM . . . . 18753 1
2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18753 1
3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18753 1
4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18753 1
5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18753 1
6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18753 1
7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18753 1
8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18753 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 18753
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '20mM Tris (pH 6.5), 200mM NaCl, 1mM EDTA, 1mM DTT, 0.02% NaN3'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '100% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 0.5 1.0 mM . . . . 18753 2
2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18753 2
3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18753 2
4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18753 2
5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18753 2
6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18753 2
7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18753 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 18753
_Sample_condition_list.ID 1
_Sample_condition_list.Details '20mM Tris (pH 6.5), 200mM NaCl, 1mM EDTA, 1mM DTT, 0.02% NaN3'
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' 200 . mM 18753 1
pH 6.5 . pH 18753 1
pressure 1 . atm 18753 1
temperature 273 . K 18753 1
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 18753
_Software.ID 1
_Software.Name NMRPipe
_Software.Version 'Version 7.5 Rev 2012.204.11.07'
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18753 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 18753 1
stop_
save_
save_NMRDraw
_Software.Sf_category software
_Software.Sf_framecode NMRDraw
_Software.Entry_ID 18753
_Software.ID 2
_Software.Name NMRDraw
_Software.Version 'Version 7.5 Rev 2012.204.11.07'
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18753 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 18753 2
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 18753
_Software.ID 3
_Software.Name NMRView
_Software.Version 8a
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Johnson, One Moon Scientific' . . 18753 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 18753 3
'data analysis' 18753 3
'peak picking' 18753 3
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 18753
_Software.ID 4
_Software.Name CYANA
_Software.Version 3.0
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 18753 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 18753 4
stop_
save_
save_AMBER
_Software.Sf_category software
_Software.Sf_framecode AMBER
_Software.Entry_ID 18753
_Software.ID 5
_Software.Name AMBER
_Software.Version 11
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 18753 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 18753 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 18753
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 18753
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 950
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 18753
_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 . 700 . . . 18753 1
2 spectrometer_2 Bruker Avance . 950 . . . 18753 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 18753
_Experiment_list.ID 1
_Experiment_list.Details 'The structure was determined using a combination of NOE, dihedral, hydrogen bond and residual dipolar coupling data.'
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
12 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
14 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
16 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
17 '3D 13C-12C isotope filtered NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18753 1
18 '2D 1H-15N HSQC RDC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 1
19 '2D 1H-15N HSQC RDC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18753 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 18753
_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 . . . . . . . . . 18753 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18753 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18753 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 18753
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 18753 1
2 '2D 1H-13C HSQC' . . . 18753 1
3 '3D CBCA(CO)NH' . . . 18753 1
4 '3D C(CO)NH' . . . 18753 1
5 '3D HNCO' . . . 18753 1
6 '3D HNCA' . . . 18753 1
7 '3D HNCACB' . . . 18753 1
8 '3D HBHA(CO)NH' . . . 18753 1
9 '3D HN(CO)CA' . . . 18753 1
10 '3D H(CCO)NH' . . . 18753 1
11 '3D HCCH-TOCSY' . . . 18753 1
13 '3D 1H-15N TOCSY' . . . 18753 1
14 '3D HN(CA)CO' . . . 18753 1
15 '3D 1H-15N NOESY' . . . 18753 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 3 3 HIS HA H 1 4.6070 0.01 . 1 . . . A 3 HIS HA . 18753 1
2 . 1 1 3 3 HIS HB2 H 1 3.2440 0.01 . 2 . . . A 3 HIS HB2 . 18753 1
3 . 1 1 3 3 HIS HB3 H 1 3.3250 0.01 . 2 . . . A 3 HIS HB3 . 18753 1
4 . 1 1 3 3 HIS C C 13 175.1190 0.1 . 1 . . . A 3 HIS C . 18753 1
5 . 1 1 3 3 HIS CA C 13 56.5190 0.1 . 1 . . . A 3 HIS CA . 18753 1
6 . 1 1 3 3 HIS CB C 13 30.4380 0.1 . 1 . . . A 3 HIS CB . 18753 1
7 . 1 1 4 4 MET H H 1 8.4320 0.01 . 1 . . . A 4 MET H . 18753 1
8 . 1 1 4 4 MET HA H 1 4.4760 0.01 . 1 . . . A 4 MET HA . 18753 1
9 . 1 1 4 4 MET HB3 H 1 2.0460 0.01 . 2 . . . A 4 MET HB3 . 18753 1
10 . 1 1 4 4 MET HG2 H 1 2.5520 0.01 . 2 . . . A 4 MET HG2 . 18753 1
11 . 1 1 4 4 MET HG3 H 1 2.4850 0.01 . 2 . . . A 4 MET HG3 . 18753 1
12 . 1 1 4 4 MET C C 13 175.9830 0.1 . 1 . . . A 4 MET C . 18753 1
13 . 1 1 4 4 MET CA C 13 56.0720 0.1 . 1 . . . A 4 MET CA . 18753 1
14 . 1 1 4 4 MET CB C 13 32.9370 0.1 . 1 . . . A 4 MET CB . 18753 1
15 . 1 1 4 4 MET CG C 13 31.0980 0.1 . 1 . . . A 4 MET CG . 18753 1
16 . 1 1 4 4 MET N N 15 121.8900 0.2 . 1 . . . A 4 MET N . 18753 1
17 . 1 1 5 5 ARG H H 1 8.4800 0.01 . 1 . . . A 5 ARG H . 18753 1
18 . 1 1 5 5 ARG HA H 1 4.3660 0.01 . 1 . . . A 5 ARG HA . 18753 1
19 . 1 1 5 5 ARG HB2 H 1 1.8870 0.01 . 2 . . . A 5 ARG HB2 . 18753 1
20 . 1 1 5 5 ARG HB3 H 1 1.8150 0.01 . 2 . . . A 5 ARG HB3 . 18753 1
21 . 1 1 5 5 ARG HG2 H 1 1.6270 0.01 . 2 . . . A 5 ARG HG2 . 18753 1
22 . 1 1 5 5 ARG HG3 H 1 1.6830 0.01 . 2 . . . A 5 ARG HG3 . 18753 1
23 . 1 1 5 5 ARG HD3 H 1 3.2270 0.01 . 2 . . . A 5 ARG HD3 . 18753 1
24 . 1 1 5 5 ARG C C 13 176.3860 0.1 . 1 . . . A 5 ARG C . 18753 1
25 . 1 1 5 5 ARG CA C 13 56.6850 0.1 . 1 . . . A 5 ARG CA . 18753 1
26 . 1 1 5 5 ARG CB C 13 30.8540 0.1 . 1 . . . A 5 ARG CB . 18753 1
27 . 1 1 5 5 ARG CG C 13 27.6900 0.1 . 1 . . . A 5 ARG CG . 18753 1
28 . 1 1 5 5 ARG CD C 13 43.6710 0.1 . 1 . . . A 5 ARG CD . 18753 1
29 . 1 1 5 5 ARG N N 15 122.6790 0.2 . 1 . . . A 5 ARG N . 18753 1
30 . 1 1 6 6 MET H H 1 8.5290 0.01 . 1 . . . A 6 MET H . 18753 1
31 . 1 1 6 6 MET HA H 1 4.5100 0.01 . 1 . . . A 6 MET HA . 18753 1
32 . 1 1 6 6 MET HB3 H 1 2.0890 0.01 . 2 . . . A 6 MET HB3 . 18753 1
33 . 1 1 6 6 MET HG2 H 1 2.6610 0.01 . 2 . . . A 6 MET HG2 . 18753 1
34 . 1 1 6 6 MET HG3 H 1 2.5440 0.01 . 2 . . . A 6 MET HG3 . 18753 1
35 . 1 1 6 6 MET C C 13 176.3390 0.1 . 1 . . . A 6 MET C . 18753 1
36 . 1 1 6 6 MET CA C 13 56.0950 0.1 . 1 . . . A 6 MET CA . 18753 1
37 . 1 1 6 6 MET CB C 13 32.8540 0.1 . 1 . . . A 6 MET CB . 18753 1
38 . 1 1 6 6 MET CG C 13 30.6480 0.1 . 1 . . . A 6 MET CG . 18753 1
39 . 1 1 6 6 MET N N 15 121.7080 0.2 . 1 . . . A 6 MET N . 18753 1
40 . 1 1 7 7 SER H H 1 8.3510 0.01 . 1 . . . A 7 SER H . 18753 1
41 . 1 1 7 7 SER HA H 1 4.6000 0.01 . 1 . . . A 7 SER HA . 18753 1
42 . 1 1 7 7 SER HB3 H 1 4.0020 0.01 . 2 . . . A 7 SER HB3 . 18753 1
43 . 1 1 7 7 SER C C 13 174.6290 0.1 . 1 . . . A 7 SER C . 18753 1
44 . 1 1 7 7 SER CA C 13 58.5950 0.1 . 1 . . . A 7 SER CA . 18753 1
45 . 1 1 7 7 SER CB C 13 64.1010 0.1 . 1 . . . A 7 SER CB . 18753 1
46 . 1 1 7 7 SER N N 15 116.4740 0.2 . 1 . . . A 7 SER N . 18753 1
47 . 1 1 8 8 LEU H H 1 8.4160 0.01 . 1 . . . A 8 LEU H . 18753 1
48 . 1 1 8 8 LEU HA H 1 4.4410 0.01 . 1 . . . A 8 LEU HA . 18753 1
49 . 1 1 8 8 LEU HB2 H 1 1.6500 0.01 . 2 . . . A 8 LEU HB2 . 18753 1
50 . 1 1 8 8 LEU HB3 H 1 1.7140 0.01 . 2 . . . A 8 LEU HB3 . 18753 1
51 . 1 1 8 8 LEU HG H 1 1.8750 0.01 . 1 . . . A 8 LEU HG . 18753 1
52 . 1 1 8 8 LEU HD11 H 1 0.8610 0.01 . 2 . . . A 8 LEU HD11 . 18753 1
53 . 1 1 8 8 LEU HD12 H 1 0.8610 0.01 . 2 . . . A 8 LEU HD12 . 18753 1
54 . 1 1 8 8 LEU HD13 H 1 0.8610 0.01 . 2 . . . A 8 LEU HD13 . 18753 1
55 . 1 1 8 8 LEU HD21 H 1 0.7940 0.01 . 2 . . . A 8 LEU HD21 . 18753 1
56 . 1 1 8 8 LEU HD22 H 1 0.7940 0.01 . 2 . . . A 8 LEU HD22 . 18753 1
57 . 1 1 8 8 LEU HD23 H 1 0.7940 0.01 . 2 . . . A 8 LEU HD23 . 18753 1
58 . 1 1 8 8 LEU C C 13 178.0720 0.1 . 1 . . . A 8 LEU C . 18753 1
59 . 1 1 8 8 LEU CA C 13 55.5040 0.1 . 1 . . . A 8 LEU CA . 18753 1
60 . 1 1 8 8 LEU CB C 13 42.1560 0.1 . 1 . . . A 8 LEU CB . 18753 1
61 . 1 1 8 8 LEU CG C 13 27.2090 0.1 . 1 . . . A 8 LEU CG . 18753 1
62 . 1 1 8 8 LEU CD1 C 13 25.5270 0.1 . 2 . . . A 8 LEU CD1 . 18753 1
63 . 1 1 8 8 LEU CD2 C 13 23.9000 0.1 . 2 . . . A 8 LEU CD2 . 18753 1
64 . 1 1 8 8 LEU N N 15 123.7900 0.2 . 1 . . . A 8 LEU N . 18753 1
65 . 1 1 9 9 ILE H H 1 8.1280 0.01 . 1 . . . A 9 ILE H . 18753 1
66 . 1 1 9 9 ILE HA H 1 4.0420 0.01 . 1 . . . A 9 ILE HA . 18753 1
67 . 1 1 9 9 ILE HB H 1 1.9330 0.01 . 1 . . . A 9 ILE HB . 18753 1
68 . 1 1 9 9 ILE HG12 H 1 0.9260 0.01 . 2 . . . A 9 ILE HG12 . 18753 1
69 . 1 1 9 9 ILE HG13 H 1 1.0000 0.01 . 2 . . . A 9 ILE HG13 . 18753 1
70 . 1 1 9 9 ILE HG21 H 1 0.7860 0.01 . 1 . . . A 9 ILE HG21 . 18753 1
71 . 1 1 9 9 ILE HG22 H 1 0.7860 0.01 . 1 . . . A 9 ILE HG22 . 18753 1
72 . 1 1 9 9 ILE HG23 H 1 0.7860 0.01 . 1 . . . A 9 ILE HG23 . 18753 1
73 . 1 1 9 9 ILE HD11 H 1 0.8690 0.01 . 1 . . . A 9 ILE HD11 . 18753 1
74 . 1 1 9 9 ILE HD12 H 1 0.8690 0.01 . 1 . . . A 9 ILE HD12 . 18753 1
75 . 1 1 9 9 ILE HD13 H 1 0.8690 0.01 . 1 . . . A 9 ILE HD13 . 18753 1
76 . 1 1 9 9 ILE C C 13 177.0510 0.1 . 1 . . . A 9 ILE C . 18753 1
77 . 1 1 9 9 ILE CA C 13 63.2550 0.1 . 1 . . . A 9 ILE CA . 18753 1
78 . 1 1 9 9 ILE CB C 13 38.1020 0.1 . 1 . . . A 9 ILE CB . 18753 1
79 . 1 1 9 9 ILE CG1 C 13 28.4260 0.1 . 1 . . . A 9 ILE CG1 . 18753 1
80 . 1 1 9 9 ILE CG2 C 13 17.8950 0.1 . 1 . . . A 9 ILE CG2 . 18753 1
81 . 1 1 9 9 ILE CD1 C 13 13.7280 0.1 . 1 . . . A 9 ILE CD1 . 18753 1
82 . 1 1 9 9 ILE N N 15 120.3900 0.2 . 1 . . . A 9 ILE N . 18753 1
83 . 1 1 10 10 GLY H H 1 8.4800 0.01 . 1 . . . A 10 GLY H . 18753 1
84 . 1 1 10 10 GLY HA3 H 1 3.9500 0.01 . 2 . . . A 10 GLY HA3 . 18753 1
85 . 1 1 10 10 GLY C C 13 174.7480 0.1 . 1 . . . A 10 GLY C . 18753 1
86 . 1 1 10 10 GLY CA C 13 46.0800 0.1 . 1 . . . A 10 GLY CA . 18753 1
87 . 1 1 10 10 GLY N N 15 109.8550 0.2 . 1 . . . A 10 GLY N . 18753 1
88 . 1 1 11 11 GLU H H 1 7.8880 0.01 . 1 . . . A 11 GLU H . 18753 1
89 . 1 1 11 11 GLU HA H 1 4.2790 0.01 . 1 . . . A 11 GLU HA . 18753 1
90 . 1 1 11 11 GLU HB2 H 1 2.0170 0.01 . 2 . . . A 11 GLU HB2 . 18753 1
91 . 1 1 11 11 GLU HB3 H 1 2.1060 0.01 . 2 . . . A 11 GLU HB3 . 18753 1
92 . 1 1 11 11 GLU HG2 H 1 2.2960 0.01 . 2 . . . A 11 GLU HG2 . 18753 1
93 . 1 1 11 11 GLU HG3 H 1 2.2570 0.01 . 2 . . . A 11 GLU HG3 . 18753 1
94 . 1 1 11 11 GLU C C 13 176.7420 0.1 . 1 . . . A 11 GLU C . 18753 1
95 . 1 1 11 11 GLU CA C 13 56.7620 0.1 . 1 . . . A 11 GLU CA . 18753 1
96 . 1 1 11 11 GLU CB C 13 30.1880 0.1 . 1 . . . A 11 GLU CB . 18753 1
97 . 1 1 11 11 GLU CG C 13 36.8050 0.1 . 1 . . . A 11 GLU CG . 18753 1
98 . 1 1 11 11 GLU N N 15 118.7230 0.2 . 1 . . . A 11 GLU N . 18753 1
99 . 1 1 12 12 ARG H H 1 7.8880 0.01 . 1 . . . A 12 ARG H . 18753 1
100 . 1 1 12 12 ARG HA H 1 4.2910 0.01 . 1 . . . A 12 ARG HA . 18753 1
101 . 1 1 12 12 ARG HB2 H 1 1.6820 0.01 . 2 . . . A 12 ARG HB2 . 18753 1
102 . 1 1 12 12 ARG HB3 H 1 1.5960 0.01 . 2 . . . A 12 ARG HB3 . 18753 1
103 . 1 1 12 12 ARG HG3 H 1 1.2960 0.01 . 2 . . . A 12 ARG HG3 . 18753 1
104 . 1 1 12 12 ARG HD3 H 1 3.1280 0.01 . 2 . . . A 12 ARG HD3 . 18753 1
105 . 1 1 12 12 ARG C C 13 175.6030 0.1 . 1 . . . A 12 ARG C . 18753 1
106 . 1 1 12 12 ARG CA C 13 56.5120 0.1 . 1 . . . A 12 ARG CA . 18753 1
107 . 1 1 12 12 ARG CB C 13 31.6040 0.1 . 1 . . . A 12 ARG CB . 18753 1
108 . 1 1 12 12 ARG CG C 13 27.2700 0.1 . 1 . . . A 12 ARG CG . 18753 1
109 . 1 1 12 12 ARG CD C 13 43.8210 0.1 . 1 . . . A 12 ARG CD . 18753 1
110 . 1 1 12 12 ARG N N 15 118.9960 0.2 . 1 . . . A 12 ARG N . 18753 1
111 . 1 1 13 13 PHE H H 1 8.0980 0.01 . 1 . . . A 13 PHE H . 18753 1
112 . 1 1 13 13 PHE HA H 1 5.2270 0.01 . 1 . . . A 13 PHE HA . 18753 1
113 . 1 1 13 13 PHE HB2 H 1 2.8600 0.01 . 2 . . . A 13 PHE HB2 . 18753 1
114 . 1 1 13 13 PHE HB3 H 1 3.2730 0.01 . 2 . . . A 13 PHE HB3 . 18753 1
115 . 1 1 13 13 PHE HD1 H 1 7.2800 0.01 . 1 . . . A 13 PHE HD1 . 18753 1
116 . 1 1 13 13 PHE C C 13 176.7900 0.1 . 1 . . . A 13 PHE C . 18753 1
117 . 1 1 13 13 PHE CA C 13 56.6220 0.1 . 1 . . . A 13 PHE CA . 18753 1
118 . 1 1 13 13 PHE CB C 13 41.6550 0.1 . 1 . . . A 13 PHE CB . 18753 1
119 . 1 1 13 13 PHE CD1 C 13 131.9700 0.1 . 3 . . . A 13 PHE CD1 . 18753 1
120 . 1 1 13 13 PHE N N 15 118.5090 0.2 . 1 . . . A 13 PHE N . 18753 1
121 . 1 1 14 14 THR H H 1 9.5600 0.01 . 1 . . . A 14 THR H . 18753 1
122 . 1 1 14 14 THR HA H 1 4.9630 0.01 . 1 . . . A 14 THR HA . 18753 1
123 . 1 1 14 14 THR HB H 1 4.4680 0.01 . 1 . . . A 14 THR HB . 18753 1
124 . 1 1 14 14 THR HG21 H 1 1.3900 0.01 . 1 . . . A 14 THR HG21 . 18753 1
125 . 1 1 14 14 THR HG22 H 1 1.3900 0.01 . 1 . . . A 14 THR HG22 . 18753 1
126 . 1 1 14 14 THR HG23 H 1 1.3900 0.01 . 1 . . . A 14 THR HG23 . 18753 1
127 . 1 1 14 14 THR C C 13 175.6260 0.1 . 1 . . . A 14 THR C . 18753 1
128 . 1 1 14 14 THR CA C 13 61.2140 0.1 . 1 . . . A 14 THR CA . 18753 1
129 . 1 1 14 14 THR CB C 13 71.1980 0.1 . 1 . . . A 14 THR CB . 18753 1
130 . 1 1 14 14 THR CG2 C 13 22.3240 0.1 . 1 . . . A 14 THR CG2 . 18753 1
131 . 1 1 14 14 THR N N 15 116.0650 0.2 . 1 . . . A 14 THR N . 18753 1
132 . 1 1 15 15 GLU H H 1 9.2040 0.01 . 1 . . . A 15 GLU H . 18753 1
133 . 1 1 15 15 GLU HA H 1 4.0340 0.01 . 1 . . . A 15 GLU HA . 18753 1
134 . 1 1 15 15 GLU HB2 H 1 2.2560 0.01 . 2 . . . A 15 GLU HB2 . 18753 1
135 . 1 1 15 15 GLU HB3 H 1 2.2150 0.01 . 2 . . . A 15 GLU HB3 . 18753 1
136 . 1 1 15 15 GLU HG3 H 1 2.5580 0.01 . 2 . . . A 15 GLU HG3 . 18753 1
137 . 1 1 15 15 GLU C C 13 178.9030 0.1 . 1 . . . A 15 GLU C . 18753 1
138 . 1 1 15 15 GLU CA C 13 60.8680 0.1 . 1 . . . A 15 GLU CA . 18753 1
139 . 1 1 15 15 GLU CB C 13 29.2720 0.1 . 1 . . . A 15 GLU CB . 18753 1
140 . 1 1 15 15 GLU CG C 13 36.9500 0.1 . 1 . . . A 15 GLU CG . 18753 1
141 . 1 1 15 15 GLU N N 15 122.0390 0.2 . 1 . . . A 15 GLU N . 18753 1
142 . 1 1 16 16 GLU H H 1 8.5300 0.01 . 1 . . . A 16 GLU H . 18753 1
143 . 1 1 16 16 GLU HA H 1 4.0530 0.01 . 1 . . . A 16 GLU HA . 18753 1
144 . 1 1 16 16 GLU HB3 H 1 2.1060 0.01 . 2 . . . A 16 GLU HB3 . 18753 1
145 . 1 1 16 16 GLU HG3 H 1 2.3500 0.01 . 2 . . . A 16 GLU HG3 . 18753 1
146 . 1 1 16 16 GLU C C 13 179.4960 0.1 . 1 . . . A 16 GLU C . 18753 1
147 . 1 1 16 16 GLU CA C 13 59.9280 0.1 . 1 . . . A 16 GLU CA . 18753 1
148 . 1 1 16 16 GLU CB C 13 29.7720 0.1 . 1 . . . A 16 GLU CB . 18753 1
149 . 1 1 16 16 GLU CG C 13 37.0120 0.1 . 1 . . . A 16 GLU CG . 18753 1
150 . 1 1 16 16 GLU N N 15 118.3300 0.2 . 1 . . . A 16 GLU N . 18753 1
151 . 1 1 17 17 GLU H H 1 7.8370 0.01 . 1 . . . A 17 GLU H . 18753 1
152 . 1 1 17 17 GLU HA H 1 3.8660 0.01 . 1 . . . A 17 GLU HA . 18753 1
153 . 1 1 17 17 GLU HB3 H 1 1.9730 0.01 . 2 . . . A 17 GLU HB3 . 18753 1
154 . 1 1 17 17 GLU HG2 H 1 2.2370 0.01 . 2 . . . A 17 GLU HG2 . 18753 1
155 . 1 1 17 17 GLU HG3 H 1 2.5520 0.01 . 2 . . . A 17 GLU HG3 . 18753 1
156 . 1 1 17 17 GLU C C 13 178.3330 0.1 . 1 . . . A 17 GLU C . 18753 1
157 . 1 1 17 17 GLU CA C 13 59.8440 0.1 . 1 . . . A 17 GLU CA . 18753 1
158 . 1 1 17 17 GLU CB C 13 29.7720 0.1 . 1 . . . A 17 GLU CB . 18753 1
159 . 1 1 17 17 GLU CG C 13 38.6220 0.1 . 1 . . . A 17 GLU CG . 18753 1
160 . 1 1 17 17 GLU N N 15 120.5840 0.2 . 1 . . . A 17 GLU N . 18753 1
161 . 1 1 18 18 GLN H H 1 8.6680 0.01 . 1 . . . A 18 GLN H . 18753 1
162 . 1 1 18 18 GLN HA H 1 3.6550 0.01 . 1 . . . A 18 GLN HA . 18753 1
163 . 1 1 18 18 GLN HB2 H 1 2.2570 0.01 . 2 . . . A 18 GLN HB2 . 18753 1
164 . 1 1 18 18 GLN HB3 H 1 2.1300 0.01 . 2 . . . A 18 GLN HB3 . 18753 1
165 . 1 1 18 18 GLN HG3 H 1 2.4330 0.01 . 2 . . . A 18 GLN HG3 . 18753 1
166 . 1 1 18 18 GLN HE21 H 1 7.0100 0.01 . 2 . . . A 18 GLN HE21 . 18753 1
167 . 1 1 18 18 GLN HE22 H 1 6.9290 0.01 . 2 . . . A 18 GLN HE22 . 18753 1
168 . 1 1 18 18 GLN C C 13 177.7160 0.1 . 1 . . . A 18 GLN C . 18753 1
169 . 1 1 18 18 GLN CA C 13 60.1780 0.1 . 1 . . . A 18 GLN CA . 18753 1
170 . 1 1 18 18 GLN CB C 13 28.8550 0.1 . 1 . . . A 18 GLN CB . 18753 1
171 . 1 1 18 18 GLN CG C 13 35.2790 0.1 . 1 . . . A 18 GLN CG . 18753 1
172 . 1 1 18 18 GLN N N 15 117.4420 0.2 . 1 . . . A 18 GLN N . 18753 1
173 . 1 1 18 18 GLN NE2 N 15 111.0970 0.2 . 1 . . . A 18 GLN NE2 . 18753 1
174 . 1 1 19 19 LYS H H 1 7.9620 0.01 . 1 . . . A 19 LYS H . 18753 1
175 . 1 1 19 19 LYS HA H 1 3.9840 0.01 . 1 . . . A 19 LYS HA . 18753 1
176 . 1 1 19 19 LYS HB2 H 1 1.9910 0.01 . 2 . . . A 19 LYS HB2 . 18753 1
177 . 1 1 19 19 LYS HB3 H 1 1.9350 0.01 . 2 . . . A 19 LYS HB3 . 18753 1
178 . 1 1 19 19 LYS HG2 H 1 1.7630 0.01 . 2 . . . A 19 LYS HG2 . 18753 1
179 . 1 1 19 19 LYS HG3 H 1 1.6850 0.01 . 2 . . . A 19 LYS HG3 . 18753 1
180 . 1 1 19 19 LYS HD2 H 1 1.5230 0.01 . 2 . . . A 19 LYS HD2 . 18753 1
181 . 1 1 19 19 LYS HD3 H 1 1.4100 0.01 . 2 . . . A 19 LYS HD3 . 18753 1
182 . 1 1 19 19 LYS HE3 H 1 3.0310 0.01 . 2 . . . A 19 LYS HE3 . 18753 1
183 . 1 1 19 19 LYS C C 13 178.8080 0.1 . 1 . . . A 19 LYS C . 18753 1
184 . 1 1 19 19 LYS CA C 13 56.2560 0.1 . 1 . . . A 19 LYS CA . 18753 1
185 . 1 1 19 19 LYS CB C 13 32.1320 0.1 . 1 . . . A 19 LYS CB . 18753 1
186 . 1 1 19 19 LYS CG C 13 25.7120 0.1 . 1 . . . A 19 LYS CG . 18753 1
187 . 1 1 19 19 LYS CD C 13 29.7730 0.1 . 1 . . . A 19 LYS CD . 18753 1
188 . 1 1 19 19 LYS CE C 13 42.4070 0.1 . 1 . . . A 19 LYS CE . 18753 1
189 . 1 1 19 19 LYS N N 15 117.9100 0.2 . 1 . . . A 19 LYS N . 18753 1
190 . 1 1 20 20 LEU H H 1 7.8370 0.01 . 1 . . . A 20 LEU H . 18753 1
191 . 1 1 20 20 LEU HA H 1 4.1350 0.01 . 1 . . . A 20 LEU HA . 18753 1
192 . 1 1 20 20 LEU HB2 H 1 1.6210 0.01 . 2 . . . A 20 LEU HB2 . 18753 1
193 . 1 1 20 20 LEU HB3 H 1 1.9000 0.01 . 2 . . . A 20 LEU HB3 . 18753 1
194 . 1 1 20 20 LEU HG H 1 1.7140 0.01 . 1 . . . A 20 LEU HG . 18753 1
195 . 1 1 20 20 LEU HD11 H 1 0.9320 0.01 . 2 . . . A 20 LEU HD11 . 18753 1
196 . 1 1 20 20 LEU HD12 H 1 0.9320 0.01 . 2 . . . A 20 LEU HD12 . 18753 1
197 . 1 1 20 20 LEU HD13 H 1 0.9320 0.01 . 2 . . . A 20 LEU HD13 . 18753 1
198 . 1 1 20 20 LEU HD21 H 1 0.9400 0.01 . 2 . . . A 20 LEU HD21 . 18753 1
199 . 1 1 20 20 LEU HD22 H 1 0.9400 0.01 . 2 . . . A 20 LEU HD22 . 18753 1
200 . 1 1 20 20 LEU HD23 H 1 0.9400 0.01 . 2 . . . A 20 LEU HD23 . 18753 1
201 . 1 1 20 20 LEU C C 13 179.2820 0.1 . 1 . . . A 20 LEU C . 18753 1
202 . 1 1 20 20 LEU CA C 13 58.5950 0.1 . 1 . . . A 20 LEU CA . 18753 1
203 . 1 1 20 20 LEU CB C 13 42.1840 0.1 . 1 . . . A 20 LEU CB . 18753 1
204 . 1 1 20 20 LEU CG C 13 27.0880 0.1 . 1 . . . A 20 LEU CG . 18753 1
205 . 1 1 20 20 LEU CD1 C 13 25.1660 0.1 . 2 . . . A 20 LEU CD1 . 18753 1
206 . 1 1 20 20 LEU CD2 C 13 21.3830 0.1 . 2 . . . A 20 LEU CD2 . 18753 1
207 . 1 1 20 20 LEU N N 15 120.5850 0.2 . 1 . . . A 20 LEU N . 18753 1
208 . 1 1 21 21 LEU H H 1 7.9160 0.01 . 1 . . . A 21 LEU H . 18753 1
209 . 1 1 21 21 LEU HA H 1 3.8310 0.01 . 1 . . . A 21 LEU HA . 18753 1
210 . 1 1 21 21 LEU HB3 H 1 1.8410 0.01 . 2 . . . A 21 LEU HB3 . 18753 1
211 . 1 1 21 21 LEU HG H 1 1.7440 0.01 . 1 . . . A 21 LEU HG . 18753 1
212 . 1 1 21 21 LEU HD11 H 1 0.4790 0.01 . 2 . . . A 21 LEU HD11 . 18753 1
213 . 1 1 21 21 LEU HD12 H 1 0.4790 0.01 . 2 . . . A 21 LEU HD12 . 18753 1
214 . 1 1 21 21 LEU HD13 H 1 0.4790 0.01 . 2 . . . A 21 LEU HD13 . 18753 1
215 . 1 1 21 21 LEU HD21 H 1 0.6770 0.01 . 2 . . . A 21 LEU HD21 . 18753 1
216 . 1 1 21 21 LEU HD22 H 1 0.6770 0.01 . 2 . . . A 21 LEU HD22 . 18753 1
217 . 1 1 21 21 LEU HD23 H 1 0.6770 0.01 . 2 . . . A 21 LEU HD23 . 18753 1
218 . 1 1 21 21 LEU C C 13 178.5940 0.1 . 1 . . . A 21 LEU C . 18753 1
219 . 1 1 21 21 LEU CA C 13 56.2980 0.1 . 1 . . . A 21 LEU CA . 18753 1
220 . 1 1 21 21 LEU CB C 13 42.3880 0.1 . 1 . . . A 21 LEU CB . 18753 1
221 . 1 1 21 21 LEU CG C 13 26.7180 0.1 . 1 . . . A 21 LEU CG . 18753 1
222 . 1 1 21 21 LEU CD1 C 13 25.1770 0.1 . 2 . . . A 21 LEU CD1 . 18753 1
223 . 1 1 21 21 LEU CD2 C 13 23.6810 0.1 . 2 . . . A 21 LEU CD2 . 18753 1
224 . 1 1 21 21 LEU N N 15 117.4430 0.2 . 1 . . . A 21 LEU N . 18753 1
225 . 1 1 22 22 LEU H H 1 8.4020 0.01 . 1 . . . A 22 LEU H . 18753 1
226 . 1 1 22 22 LEU HA H 1 3.8800 0.01 . 1 . . . A 22 LEU HA . 18753 1
227 . 1 1 22 22 LEU HB2 H 1 1.9760 0.01 . 2 . . . A 22 LEU HB2 . 18753 1
228 . 1 1 22 22 LEU HB3 H 1 1.6410 0.01 . 2 . . . A 22 LEU HB3 . 18753 1
229 . 1 1 22 22 LEU HG H 1 1.5980 0.01 . 1 . . . A 22 LEU HG . 18753 1
230 . 1 1 22 22 LEU HD11 H 1 0.8520 0.01 . 2 . . . A 22 LEU HD11 . 18753 1
231 . 1 1 22 22 LEU HD12 H 1 0.8520 0.01 . 2 . . . A 22 LEU HD12 . 18753 1
232 . 1 1 22 22 LEU HD13 H 1 0.8520 0.01 . 2 . . . A 22 LEU HD13 . 18753 1
233 . 1 1 22 22 LEU HD21 H 1 0.4440 0.01 . 2 . . . A 22 LEU HD21 . 18753 1
234 . 1 1 22 22 LEU HD22 H 1 0.4440 0.01 . 2 . . . A 22 LEU HD22 . 18753 1
235 . 1 1 22 22 LEU HD23 H 1 0.4440 0.01 . 2 . . . A 22 LEU HD23 . 18753 1
236 . 1 1 22 22 LEU C C 13 178.1190 0.1 . 1 . . . A 22 LEU C . 18753 1
237 . 1 1 22 22 LEU CA C 13 58.1810 0.1 . 1 . . . A 22 LEU CA . 18753 1
238 . 1 1 22 22 LEU CB C 13 41.9480 0.1 . 1 . . . A 22 LEU CB . 18753 1
239 . 1 1 22 22 LEU CG C 13 27.0170 0.1 . 1 . . . A 22 LEU CG . 18753 1
240 . 1 1 22 22 LEU CD1 C 13 24.3030 0.1 . 2 . . . A 22 LEU CD1 . 18753 1
241 . 1 1 22 22 LEU CD2 C 13 22.1580 0.1 . 2 . . . A 22 LEU CD2 . 18753 1
242 . 1 1 22 22 LEU N N 15 118.6070 0.2 . 1 . . . A 22 LEU N . 18753 1
243 . 1 1 23 23 ASN H H 1 8.2030 0.01 . 1 . . . A 23 ASN H . 18753 1
244 . 1 1 23 23 ASN HA H 1 4.4290 0.01 . 1 . . . A 23 ASN HA . 18753 1
245 . 1 1 23 23 ASN HB2 H 1 2.9930 0.01 . 2 . . . A 23 ASN HB2 . 18753 1
246 . 1 1 23 23 ASN HB3 H 1 2.8400 0.01 . 2 . . . A 23 ASN HB3 . 18753 1
247 . 1 1 23 23 ASN HD21 H 1 7.5780 0.01 . 2 . . . A 23 ASN HD21 . 18753 1
248 . 1 1 23 23 ASN HD22 H 1 6.9580 0.01 . 2 . . . A 23 ASN HD22 . 18753 1
249 . 1 1 23 23 ASN C C 13 177.8110 0.1 . 1 . . . A 23 ASN C . 18753 1
250 . 1 1 23 23 ASN CA C 13 56.7350 0.1 . 1 . . . A 23 ASN CA . 18753 1
251 . 1 1 23 23 ASN CB C 13 38.6850 0.1 . 1 . . . A 23 ASN CB . 18753 1
252 . 1 1 23 23 ASN N N 15 116.2950 0.2 . 1 . . . A 23 ASN N . 18753 1
253 . 1 1 23 23 ASN ND2 N 15 112.2330 0.2 . 1 . . . A 23 ASN ND2 . 18753 1
254 . 1 1 24 24 ILE H H 1 7.6860 0.01 . 1 . . . A 24 ILE H . 18753 1
255 . 1 1 24 24 ILE HA H 1 3.9560 0.01 . 1 . . . A 24 ILE HA . 18753 1
256 . 1 1 24 24 ILE HB H 1 1.9370 0.01 . 1 . . . A 24 ILE HB . 18753 1
257 . 1 1 24 24 ILE HG12 H 1 1.5470 0.01 . 2 . . . A 24 ILE HG12 . 18753 1
258 . 1 1 24 24 ILE HG13 H 1 1.6820 0.01 . 2 . . . A 24 ILE HG13 . 18753 1
259 . 1 1 24 24 ILE HG21 H 1 0.7630 0.01 . 1 . . . A 24 ILE HG21 . 18753 1
260 . 1 1 24 24 ILE HG22 H 1 0.7630 0.01 . 1 . . . A 24 ILE HG22 . 18753 1
261 . 1 1 24 24 ILE HG23 H 1 0.7630 0.01 . 1 . . . A 24 ILE HG23 . 18753 1
262 . 1 1 24 24 ILE HD11 H 1 0.8260 0.01 . 1 . . . A 24 ILE HD11 . 18753 1
263 . 1 1 24 24 ILE HD12 H 1 0.8260 0.01 . 1 . . . A 24 ILE HD12 . 18753 1
264 . 1 1 24 24 ILE HD13 H 1 0.8260 0.01 . 1 . . . A 24 ILE HD13 . 18753 1
265 . 1 1 24 24 ILE CA C 13 64.8960 0.1 . 1 . . . A 24 ILE CA . 18753 1
266 . 1 1 24 24 ILE CB C 13 38.3260 0.1 . 1 . . . A 24 ILE CB . 18753 1
267 . 1 1 24 24 ILE CG1 C 13 23.7970 0.1 . 1 . . . A 24 ILE CG1 . 18753 1
268 . 1 1 24 24 ILE CG2 C 13 19.6280 0.1 . 1 . . . A 24 ILE CG2 . 18753 1
269 . 1 1 24 24 ILE CD1 C 13 17.5440 0.1 . 1 . . . A 24 ILE CD1 . 18753 1
270 . 1 1 24 24 ILE N N 15 118.2200 0.2 . 1 . . . A 24 ILE N . 18753 1
271 . 1 1 25 25 LEU H H 1 8.0360 0.01 . 1 . . . A 25 LEU H . 18753 1
272 . 1 1 25 25 LEU HA H 1 4.1650 0.01 . 1 . . . A 25 LEU HA . 18753 1
273 . 1 1 25 25 LEU HB3 H 1 1.9000 0.01 . 2 . . . A 25 LEU HB3 . 18753 1
274 . 1 1 25 25 LEU HG H 1 1.5580 0.01 . 1 . . . A 25 LEU HG . 18753 1
275 . 1 1 25 25 LEU HD11 H 1 0.5480 0.01 . 2 . . . A 25 LEU HD11 . 18753 1
276 . 1 1 25 25 LEU HD12 H 1 0.5480 0.01 . 2 . . . A 25 LEU HD12 . 18753 1
277 . 1 1 25 25 LEU HD13 H 1 0.5480 0.01 . 2 . . . A 25 LEU HD13 . 18753 1
278 . 1 1 25 25 LEU HD21 H 1 0.8930 0.01 . 2 . . . A 25 LEU HD21 . 18753 1
279 . 1 1 25 25 LEU HD22 H 1 0.8930 0.01 . 2 . . . A 25 LEU HD22 . 18753 1
280 . 1 1 25 25 LEU HD23 H 1 0.8930 0.01 . 2 . . . A 25 LEU HD23 . 18753 1
281 . 1 1 25 25 LEU CA C 13 57.2640 0.1 . 1 . . . A 25 LEU CA . 18753 1
282 . 1 1 25 25 LEU CB C 13 38.1980 0.1 . 1 . . . A 25 LEU CB . 18753 1
283 . 1 1 25 25 LEU N N 15 119.9330 0.2 . 1 . . . A 25 LEU N . 18753 1
284 . 1 1 26 26 ILE HA H 1 4.8590 0.01 . 1 . . . A 26 ILE HA . 18753 1
285 . 1 1 26 26 ILE HB H 1 1.9440 0.01 . 1 . . . A 26 ILE HB . 18753 1
286 . 1 1 26 26 ILE HG12 H 1 1.4920 0.01 . 2 . . . A 26 ILE HG12 . 18753 1
287 . 1 1 26 26 ILE HG13 H 1 1.4060 0.01 . 2 . . . A 26 ILE HG13 . 18753 1
288 . 1 1 26 26 ILE HG21 H 1 1.2060 0.01 . 1 . . . A 26 ILE HG21 . 18753 1
289 . 1 1 26 26 ILE HG22 H 1 1.2060 0.01 . 1 . . . A 26 ILE HG22 . 18753 1
290 . 1 1 26 26 ILE HG23 H 1 1.2060 0.01 . 1 . . . A 26 ILE HG23 . 18753 1
291 . 1 1 26 26 ILE HD11 H 1 0.9200 0.01 . 1 . . . A 26 ILE HD11 . 18753 1
292 . 1 1 26 26 ILE HD12 H 1 0.9200 0.01 . 1 . . . A 26 ILE HD12 . 18753 1
293 . 1 1 26 26 ILE HD13 H 1 0.9200 0.01 . 1 . . . A 26 ILE HD13 . 18753 1
294 . 1 1 26 26 ILE C C 13 175.2430 0.1 . 1 . . . A 26 ILE C . 18753 1
295 . 1 1 26 26 ILE CA C 13 53.9020 0.1 . 1 . . . A 26 ILE CA . 18753 1
296 . 1 1 26 26 ILE CB C 13 39.3520 0.1 . 1 . . . A 26 ILE CB . 18753 1
297 . 1 1 26 26 ILE CG2 C 13 18.4730 0.1 . 1 . . . A 26 ILE CG2 . 18753 1
298 . 1 1 26 26 ILE CD1 C 13 16.4680 0.1 . 1 . . . A 26 ILE CD1 . 18753 1
299 . 1 1 27 27 ASN H H 1 8.2990 0.01 . 1 . . . A 27 ASN H . 18753 1
300 . 1 1 27 27 ASN HA H 1 4.6580 0.01 . 1 . . . A 27 ASN HA . 18753 1
301 . 1 1 27 27 ASN HB2 H 1 2.7670 0.01 . 2 . . . A 27 ASN HB2 . 18753 1
302 . 1 1 27 27 ASN HB3 H 1 2.6690 0.01 . 2 . . . A 27 ASN HB3 . 18753 1
303 . 1 1 27 27 ASN HD21 H 1 7.6400 0.01 . 2 . . . A 27 ASN HD21 . 18753 1
304 . 1 1 27 27 ASN HD22 H 1 6.9430 0.01 . 2 . . . A 27 ASN HD22 . 18753 1
305 . 1 1 27 27 ASN C C 13 176.8740 0.1 . 1 . . . A 27 ASN C . 18753 1
306 . 1 1 27 27 ASN CA C 13 54.4630 0.1 . 1 . . . A 27 ASN CA . 18753 1
307 . 1 1 27 27 ASN CB C 13 41.4740 0.1 . 1 . . . A 27 ASN CB . 18753 1
308 . 1 1 27 27 ASN N N 15 120.9110 0.2 . 1 . . . A 27 ASN N . 18753 1
309 . 1 1 27 27 ASN ND2 N 15 113.2240 0.2 . 1 . . . A 27 ASN ND2 . 18753 1
310 . 1 1 28 28 HIS H H 1 8.4120 0.01 . 1 . . . A 28 HIS H . 18753 1
311 . 1 1 28 28 HIS HA H 1 4.6630 0.01 . 1 . . . A 28 HIS HA . 18753 1
312 . 1 1 28 28 HIS HB3 H 1 3.0160 0.01 . 2 . . . A 28 HIS HB3 . 18753 1
313 . 1 1 28 28 HIS CA C 13 54.4080 0.1 . 1 . . . A 28 HIS CA . 18753 1
314 . 1 1 28 28 HIS N N 15 109.4730 0.2 . 1 . . . A 28 HIS N . 18753 1
315 . 1 1 30 30 TYR HA H 1 4.7620 0.01 . 1 . . . A 30 TYR HA . 18753 1
316 . 1 1 30 30 TYR HB2 H 1 3.0420 0.01 . 2 . . . A 30 TYR HB2 . 18753 1
317 . 1 1 30 30 TYR HB3 H 1 2.8930 0.01 . 2 . . . A 30 TYR HB3 . 18753 1
318 . 1 1 30 30 TYR HD1 H 1 6.8210 0.01 . 1 . . . A 30 TYR HD1 . 18753 1
319 . 1 1 30 30 TYR HE1 H 1 6.5670 0.01 . 3 . . . A 30 TYR HE1 . 18753 1
320 . 1 1 30 30 TYR C C 13 176.8130 0.1 . 1 . . . A 30 TYR C . 18753 1
321 . 1 1 30 30 TYR CA C 13 58.8480 0.1 . 1 . . . A 30 TYR CA . 18753 1
322 . 1 1 30 30 TYR CB C 13 39.2680 0.1 . 1 . . . A 30 TYR CB . 18753 1
323 . 1 1 30 30 TYR CD2 C 13 132.2660 0.1 . 3 . . . A 30 TYR CD2 . 18753 1
324 . 1 1 30 30 TYR CE2 C 13 117.9990 0.1 . 3 . . . A 30 TYR CE2 . 18753 1
325 . 1 1 31 31 ALA H H 1 7.9790 0.01 . 1 . . . A 31 ALA H . 18753 1
326 . 1 1 31 31 ALA HA H 1 3.6290 0.01 . 1 . . . A 31 ALA HA . 18753 1
327 . 1 1 31 31 ALA HB1 H 1 1.1360 0.01 . 1 . . . A 31 ALA HB1 . 18753 1
328 . 1 1 31 31 ALA HB2 H 1 1.1360 0.01 . 1 . . . A 31 ALA HB2 . 18753 1
329 . 1 1 31 31 ALA HB3 H 1 1.1360 0.01 . 1 . . . A 31 ALA HB3 . 18753 1
330 . 1 1 31 31 ALA C C 13 178.6310 0.1 . 1 . . . A 31 ALA C . 18753 1
331 . 1 1 31 31 ALA CA C 13 56.6010 0.1 . 1 . . . A 31 ALA CA . 18753 1
332 . 1 1 31 31 ALA CB C 13 18.1920 0.1 . 1 . . . A 31 ALA CB . 18753 1
333 . 1 1 31 31 ALA N N 15 121.6350 0.2 . 1 . . . A 31 ALA N . 18753 1
334 . 1 1 32 32 ILE H H 1 7.7750 0.01 . 1 . . . A 32 ILE H . 18753 1
335 . 1 1 32 32 ILE HA H 1 3.6260 0.01 . 1 . . . A 32 ILE HA . 18753 1
336 . 1 1 32 32 ILE HB H 1 1.9350 0.01 . 1 . . . A 32 ILE HB . 18753 1
337 . 1 1 32 32 ILE HG12 H 1 1.5140 0.01 . 2 . . . A 32 ILE HG12 . 18753 1
338 . 1 1 32 32 ILE HG13 H 1 1.1040 0.01 . 2 . . . A 32 ILE HG13 . 18753 1
339 . 1 1 32 32 ILE HG21 H 1 1.0020 0.01 . 1 . . . A 32 ILE HG21 . 18753 1
340 . 1 1 32 32 ILE HG22 H 1 1.0020 0.01 . 1 . . . A 32 ILE HG22 . 18753 1
341 . 1 1 32 32 ILE HG23 H 1 1.0020 0.01 . 1 . . . A 32 ILE HG23 . 18753 1
342 . 1 1 32 32 ILE HD11 H 1 0.7900 0.01 . 1 . . . A 32 ILE HD11 . 18753 1
343 . 1 1 32 32 ILE HD12 H 1 0.7900 0.01 . 1 . . . A 32 ILE HD12 . 18753 1
344 . 1 1 32 32 ILE HD13 H 1 0.7900 0.01 . 1 . . . A 32 ILE HD13 . 18753 1
345 . 1 1 32 32 ILE C C 13 177.6210 0.1 . 1 . . . A 32 ILE C . 18753 1
346 . 1 1 32 32 ILE CA C 13 64.8120 0.1 . 1 . . . A 32 ILE CA . 18753 1
347 . 1 1 32 32 ILE CB C 13 37.5190 0.1 . 1 . . . A 32 ILE CB . 18753 1
348 . 1 1 32 32 ILE CG1 C 13 30.1230 0.1 . 1 . . . A 32 ILE CG1 . 18753 1
349 . 1 1 32 32 ILE CG2 C 13 18.3970 0.1 . 1 . . . A 32 ILE CG2 . 18753 1
350 . 1 1 32 32 ILE CD1 C 13 13.7330 0.1 . 1 . . . A 32 ILE CD1 . 18753 1
351 . 1 1 32 32 ILE N N 15 114.5980 0.2 . 1 . . . A 32 ILE N . 18753 1
352 . 1 1 33 33 GLU H H 1 7.4290 0.01 . 1 . . . A 33 GLU H . 18753 1
353 . 1 1 33 33 GLU HA H 1 4.0560 0.01 . 1 . . . A 33 GLU HA . 18753 1
354 . 1 1 33 33 GLU HB3 H 1 1.8240 0.01 . 2 . . . A 33 GLU HB3 . 18753 1
355 . 1 1 33 33 GLU HG2 H 1 2.0470 0.01 . 2 . . . A 33 GLU HG2 . 18753 1
356 . 1 1 33 33 GLU HG3 H 1 2.1990 0.01 . 2 . . . A 33 GLU HG3 . 18753 1
357 . 1 1 33 33 GLU C C 13 179.2110 0.1 . 1 . . . A 33 GLU C . 18753 1
358 . 1 1 33 33 GLU CA C 13 59.0430 0.1 . 1 . . . A 33 GLU CA . 18753 1
359 . 1 1 33 33 GLU CB C 13 29.0220 0.1 . 1 . . . A 33 GLU CB . 18753 1
360 . 1 1 33 33 GLU CG C 13 36.3050 0.1 . 1 . . . A 33 GLU CG . 18753 1
361 . 1 1 33 33 GLU N N 15 121.9470 0.2 . 1 . . . A 33 GLU N . 18753 1
362 . 1 1 34 34 LEU H H 1 8.0230 0.01 . 1 . . . A 34 LEU H . 18753 1
363 . 1 1 34 34 LEU HA H 1 4.3530 0.01 . 1 . . . A 34 LEU HA . 18753 1
364 . 1 1 34 34 LEU HB3 H 1 2.1140 0.01 . 2 . . . A 34 LEU HB3 . 18753 1
365 . 1 1 34 34 LEU HG H 1 0.8560 0.01 . 1 . . . A 34 LEU HG . 18753 1
366 . 1 1 34 34 LEU HD11 H 1 0.9580 0.01 . 2 . . . A 34 LEU HD11 . 18753 1
367 . 1 1 34 34 LEU HD12 H 1 0.9580 0.01 . 2 . . . A 34 LEU HD12 . 18753 1
368 . 1 1 34 34 LEU HD13 H 1 0.9580 0.01 . 2 . . . A 34 LEU HD13 . 18753 1
369 . 1 1 34 34 LEU HD21 H 1 0.5930 0.01 . 2 . . . A 34 LEU HD21 . 18753 1
370 . 1 1 34 34 LEU HD22 H 1 0.5930 0.01 . 2 . . . A 34 LEU HD22 . 18753 1
371 . 1 1 34 34 LEU HD23 H 1 0.5930 0.01 . 2 . . . A 34 LEU HD23 . 18753 1
372 . 1 1 34 34 LEU CA C 13 58.1890 0.1 . 1 . . . A 34 LEU CA . 18753 1
373 . 1 1 34 34 LEU CB C 13 41.1230 0.1 . 1 . . . A 34 LEU CB . 18753 1
374 . 1 1 34 34 LEU N N 15 120.7350 0.2 . 1 . . . A 34 LEU N . 18753 1
375 . 1 1 35 35 LEU H H 1 7.8990 0.01 . 1 . . . A 35 LEU H . 18753 1
376 . 1 1 35 35 LEU HA H 1 3.9880 0.01 . 1 . . . A 35 LEU HA . 18753 1
377 . 1 1 35 35 LEU HB2 H 1 1.5080 0.01 . 2 . . . A 35 LEU HB2 . 18753 1
378 . 1 1 35 35 LEU HB3 H 1 1.9750 0.01 . 2 . . . A 35 LEU HB3 . 18753 1
379 . 1 1 35 35 LEU HG H 1 2.2630 0.01 . 1 . . . A 35 LEU HG . 18753 1
380 . 1 1 35 35 LEU HD11 H 1 0.1360 0.01 . 2 . . . A 35 LEU HD11 . 18753 1
381 . 1 1 35 35 LEU HD12 H 1 0.1360 0.01 . 2 . . . A 35 LEU HD12 . 18753 1
382 . 1 1 35 35 LEU HD13 H 1 0.1360 0.01 . 2 . . . A 35 LEU HD13 . 18753 1
383 . 1 1 35 35 LEU HD21 H 1 0.8970 0.01 . 2 . . . A 35 LEU HD21 . 18753 1
384 . 1 1 35 35 LEU HD22 H 1 0.8970 0.01 . 2 . . . A 35 LEU HD22 . 18753 1
385 . 1 1 35 35 LEU HD23 H 1 0.8970 0.01 . 2 . . . A 35 LEU HD23 . 18753 1
386 . 1 1 35 35 LEU C C 13 177.8820 0.1 . 1 . . . A 35 LEU C . 18753 1
387 . 1 1 35 35 LEU CA C 13 58.2910 0.1 . 1 . . . A 35 LEU CA . 18753 1
388 . 1 1 35 35 LEU CB C 13 42.9450 0.1 . 1 . . . A 35 LEU CB . 18753 1
389 . 1 1 35 35 LEU CG C 13 27.7900 0.1 . 1 . . . A 35 LEU CG . 18753 1
390 . 1 1 35 35 LEU CD1 C 13 26.1710 0.1 . 2 . . . A 35 LEU CD1 . 18753 1
391 . 1 1 35 35 LEU CD2 C 13 24.4220 0.1 . 2 . . . A 35 LEU CD2 . 18753 1
392 . 1 1 35 35 LEU N N 15 119.1280 0.2 . 1 . . . A 35 LEU N . 18753 1
393 . 1 1 36 36 SER H H 1 8.4090 0.01 . 1 . . . A 36 SER H . 18753 1
394 . 1 1 36 36 SER HA H 1 4.1350 0.01 . 1 . . . A 36 SER HA . 18753 1
395 . 1 1 36 36 SER HB3 H 1 3.6100 0.01 . 2 . . . A 36 SER HB3 . 18753 1
396 . 1 1 36 36 SER C C 13 177.8820 0.1 . 1 . . . A 36 SER C . 18753 1
397 . 1 1 36 36 SER CA C 13 61.6210 0.1 . 1 . . . A 36 SER CA . 18753 1
398 . 1 1 36 36 SER CB C 13 63.0410 0.1 . 1 . . . A 36 SER CB . 18753 1
399 . 1 1 36 36 SER N N 15 113.1510 0.2 . 1 . . . A 36 SER N . 18753 1
400 . 1 1 37 37 SER H H 1 8.0180 0.01 . 1 . . . A 37 SER H . 18753 1
401 . 1 1 37 37 SER HA H 1 4.3510 0.01 . 1 . . . A 37 SER HA . 18753 1
402 . 1 1 37 37 SER HB3 H 1 4.1550 0.01 . 2 . . . A 37 SER HB3 . 18753 1
403 . 1 1 37 37 SER C C 13 177.3830 0.1 . 1 . . . A 37 SER C . 18753 1
404 . 1 1 37 37 SER CA C 13 61.8890 0.1 . 1 . . . A 37 SER CA . 18753 1
405 . 1 1 37 37 SER CB C 13 63.0700 0.1 . 1 . . . A 37 SER CB . 18753 1
406 . 1 1 37 37 SER N N 15 117.1840 0.2 . 1 . . . A 37 SER N . 18753 1
407 . 1 1 38 38 GLU H H 1 7.8070 0.01 . 1 . . . A 38 GLU H . 18753 1
408 . 1 1 38 38 GLU HA H 1 4.2520 0.01 . 1 . . . A 38 GLU HA . 18753 1
409 . 1 1 38 38 GLU HB2 H 1 2.2120 0.01 . 2 . . . A 38 GLU HB2 . 18753 1
410 . 1 1 38 38 GLU HB3 H 1 2.3220 0.01 . 2 . . . A 38 GLU HB3 . 18753 1
411 . 1 1 38 38 GLU HG2 H 1 2.2740 0.01 . 2 . . . A 38 GLU HG2 . 18753 1
412 . 1 1 38 38 GLU HG3 H 1 2.2180 0.01 . 2 . . . A 38 GLU HG3 . 18753 1
413 . 1 1 38 38 GLU C C 13 175.8400 0.1 . 1 . . . A 38 GLU C . 18753 1
414 . 1 1 38 38 GLU CA C 13 59.7340 0.1 . 1 . . . A 38 GLU CA . 18753 1
415 . 1 1 38 38 GLU CB C 13 29.4380 0.1 . 1 . . . A 38 GLU CB . 18753 1
416 . 1 1 38 38 GLU CG C 13 34.3590 0.1 . 1 . . . A 38 GLU CG . 18753 1
417 . 1 1 38 38 GLU N N 15 123.3290 0.2 . 1 . . . A 38 GLU N . 18753 1
418 . 1 1 39 39 ILE H H 1 8.2430 0.01 . 1 . . . A 39 ILE H . 18753 1
419 . 1 1 39 39 ILE HA H 1 3.5970 0.01 . 1 . . . A 39 ILE HA . 18753 1
420 . 1 1 39 39 ILE HB H 1 1.7040 0.01 . 1 . . . A 39 ILE HB . 18753 1
421 . 1 1 39 39 ILE HG12 H 1 0.7250 0.01 . 2 . . . A 39 ILE HG12 . 18753 1
422 . 1 1 39 39 ILE HG13 H 1 0.8140 0.01 . 2 . . . A 39 ILE HG13 . 18753 1
423 . 1 1 39 39 ILE HG21 H 1 0.9730 0.01 . 1 . . . A 39 ILE HG21 . 18753 1
424 . 1 1 39 39 ILE HG22 H 1 0.9730 0.01 . 1 . . . A 39 ILE HG22 . 18753 1
425 . 1 1 39 39 ILE HG23 H 1 0.9730 0.01 . 1 . . . A 39 ILE HG23 . 18753 1
426 . 1 1 39 39 ILE HD11 H 1 0.5150 0.01 . 1 . . . A 39 ILE HD11 . 18753 1
427 . 1 1 39 39 ILE HD12 H 1 0.5150 0.01 . 1 . . . A 39 ILE HD12 . 18753 1
428 . 1 1 39 39 ILE HD13 H 1 0.5150 0.01 . 1 . . . A 39 ILE HD13 . 18753 1
429 . 1 1 39 39 ILE C C 13 178.5230 0.1 . 1 . . . A 39 ILE C . 18753 1
430 . 1 1 39 39 ILE CA C 13 66.4200 0.1 . 1 . . . A 39 ILE CA . 18753 1
431 . 1 1 39 39 ILE CB C 13 37.3950 0.1 . 1 . . . A 39 ILE CB . 18753 1
432 . 1 1 39 39 ILE CG1 C 13 31.2560 0.1 . 1 . . . A 39 ILE CG1 . 18753 1
433 . 1 1 39 39 ILE CG2 C 13 17.7250 0.1 . 1 . . . A 39 ILE CG2 . 18753 1
434 . 1 1 39 39 ILE CD1 C 13 14.2700 0.1 . 1 . . . A 39 ILE CD1 . 18753 1
435 . 1 1 39 39 ILE N N 15 118.1140 0.2 . 1 . . . A 39 ILE N . 18753 1
436 . 1 1 40 40 ASN H H 1 8.3240 0.01 . 1 . . . A 40 ASN H . 18753 1
437 . 1 1 40 40 ASN HA H 1 4.5210 0.01 . 1 . . . A 40 ASN HA . 18753 1
438 . 1 1 40 40 ASN HB2 H 1 3.2220 0.01 . 2 . . . A 40 ASN HB2 . 18753 1
439 . 1 1 40 40 ASN HB3 H 1 3.1430 0.01 . 2 . . . A 40 ASN HB3 . 18753 1
440 . 1 1 40 40 ASN HD21 H 1 7.8670 0.01 . 2 . . . A 40 ASN HD21 . 18753 1
441 . 1 1 40 40 ASN HD22 H 1 6.9380 0.01 . 2 . . . A 40 ASN HD22 . 18753 1
442 . 1 1 40 40 ASN C C 13 178.0240 0.1 . 1 . . . A 40 ASN C . 18753 1
443 . 1 1 40 40 ASN CA C 13 57.4350 0.1 . 1 . . . A 40 ASN CA . 18753 1
444 . 1 1 40 40 ASN CB C 13 39.2120 0.1 . 1 . . . A 40 ASN CB . 18753 1
445 . 1 1 40 40 ASN N N 15 118.6400 0.2 . 1 . . . A 40 ASN N . 18753 1
446 . 1 1 40 40 ASN ND2 N 15 113.9730 0.2 . 1 . . . A 40 ASN ND2 . 18753 1
447 . 1 1 41 41 ASP H H 1 8.4650 0.01 . 1 . . . A 41 ASP H . 18753 1
448 . 1 1 41 41 ASP HA H 1 4.4020 0.01 . 1 . . . A 41 ASP HA . 18753 1
449 . 1 1 41 41 ASP HB2 H 1 3.0960 0.01 . 2 . . . A 41 ASP HB2 . 18753 1
450 . 1 1 41 41 ASP HB3 H 1 3.0140 0.01 . 2 . . . A 41 ASP HB3 . 18753 1
451 . 1 1 41 41 ASP C C 13 178.4990 0.1 . 1 . . . A 41 ASP C . 18753 1
452 . 1 1 41 41 ASP CA C 13 57.6800 0.1 . 1 . . . A 41 ASP CA . 18753 1
453 . 1 1 41 41 ASP CB C 13 40.0180 0.1 . 1 . . . A 41 ASP CB . 18753 1
454 . 1 1 41 41 ASP N N 15 121.8950 0.2 . 1 . . . A 41 ASP N . 18753 1
455 . 1 1 42 42 ILE H H 1 8.0710 0.01 . 1 . . . A 42 ILE H . 18753 1
456 . 1 1 42 42 ILE HA H 1 4.2380 0.01 . 1 . . . A 42 ILE HA . 18753 1
457 . 1 1 42 42 ILE HB H 1 1.9930 0.01 . 1 . . . A 42 ILE HB . 18753 1
458 . 1 1 42 42 ILE HG13 H 1 1.6250 0.01 . 2 . . . A 42 ILE HG13 . 18753 1
459 . 1 1 42 42 ILE HG21 H 1 0.6070 0.01 . 1 . . . A 42 ILE HG21 . 18753 1
460 . 1 1 42 42 ILE HG22 H 1 0.6070 0.01 . 1 . . . A 42 ILE HG22 . 18753 1
461 . 1 1 42 42 ILE HG23 H 1 0.6070 0.01 . 1 . . . A 42 ILE HG23 . 18753 1
462 . 1 1 42 42 ILE HD11 H 1 0.7930 0.01 . 1 . . . A 42 ILE HD11 . 18753 1
463 . 1 1 42 42 ILE HD12 H 1 0.7930 0.01 . 1 . . . A 42 ILE HD12 . 18753 1
464 . 1 1 42 42 ILE HD13 H 1 0.7930 0.01 . 1 . . . A 42 ILE HD13 . 18753 1
465 . 1 1 42 42 ILE C C 13 180.1840 0.1 . 1 . . . A 42 ILE C . 18753 1
466 . 1 1 42 42 ILE CA C 13 64.0050 0.1 . 1 . . . A 42 ILE CA . 18753 1
467 . 1 1 42 42 ILE CB C 13 38.7220 0.1 . 1 . . . A 42 ILE CB . 18753 1
468 . 1 1 42 42 ILE CG1 C 13 29.5170 0.1 . 1 . . . A 42 ILE CG1 . 18753 1
469 . 1 1 42 42 ILE CG2 C 13 17.9790 0.1 . 1 . . . A 42 ILE CG2 . 18753 1
470 . 1 1 42 42 ILE CD1 C 13 17.9340 0.1 . 1 . . . A 42 ILE CD1 . 18753 1
471 . 1 1 42 42 ILE N N 15 122.0440 0.2 . 1 . . . A 42 ILE N . 18753 1
472 . 1 1 43 43 GLU H H 1 8.9410 0.01 . 1 . . . A 43 GLU H . 18753 1
473 . 1 1 43 43 GLU HA H 1 4.0030 0.01 . 1 . . . A 43 GLU HA . 18753 1
474 . 1 1 43 43 GLU HB2 H 1 2.2850 0.01 . 2 . . . A 43 GLU HB2 . 18753 1
475 . 1 1 43 43 GLU HB3 H 1 2.1140 0.01 . 2 . . . A 43 GLU HB3 . 18753 1
476 . 1 1 43 43 GLU HG2 H 1 2.3050 0.01 . 2 . . . A 43 GLU HG2 . 18753 1
477 . 1 1 43 43 GLU HG3 H 1 2.4350 0.01 . 2 . . . A 43 GLU HG3 . 18753 1
478 . 1 1 43 43 GLU C C 13 179.2110 0.1 . 1 . . . A 43 GLU C . 18753 1
479 . 1 1 43 43 GLU CA C 13 59.8530 0.1 . 1 . . . A 43 GLU CA . 18753 1
480 . 1 1 43 43 GLU CB C 13 29.6050 0.1 . 1 . . . A 43 GLU CB . 18753 1
481 . 1 1 43 43 GLU CG C 13 37.4520 0.1 . 1 . . . A 43 GLU CG . 18753 1
482 . 1 1 43 43 GLU N N 15 121.3120 0.2 . 1 . . . A 43 GLU N . 18753 1
483 . 1 1 44 44 THR H H 1 8.2590 0.01 . 1 . . . A 44 THR H . 18753 1
484 . 1 1 44 44 THR HA H 1 4.5110 0.01 . 1 . . . A 44 THR HA . 18753 1
485 . 1 1 44 44 THR HB H 1 4.3870 0.01 . 1 . . . A 44 THR HB . 18753 1
486 . 1 1 44 44 THR HG21 H 1 1.4270 0.01 . 1 . . . A 44 THR HG21 . 18753 1
487 . 1 1 44 44 THR HG22 H 1 1.4270 0.01 . 1 . . . A 44 THR HG22 . 18753 1
488 . 1 1 44 44 THR HG23 H 1 1.4270 0.01 . 1 . . . A 44 THR HG23 . 18753 1
489 . 1 1 44 44 THR C C 13 175.9110 0.1 . 1 . . . A 44 THR C . 18753 1
490 . 1 1 44 44 THR CA C 13 62.9390 0.1 . 1 . . . A 44 THR CA . 18753 1
491 . 1 1 44 44 THR CB C 13 70.5910 0.1 . 1 . . . A 44 THR CB . 18753 1
492 . 1 1 44 44 THR CG2 C 13 21.8230 0.1 . 1 . . . A 44 THR CG2 . 18753 1
493 . 1 1 44 44 THR N N 15 107.8810 0.2 . 1 . . . A 44 THR N . 18753 1
494 . 1 1 45 45 GLY H H 1 7.8280 0.01 . 1 . . . A 45 GLY H . 18753 1
495 . 1 1 45 45 GLY HA2 H 1 3.9400 0.01 . 2 . . . A 45 GLY HA2 . 18753 1
496 . 1 1 45 45 GLY HA3 H 1 4.2420 0.01 . 2 . . . A 45 GLY HA3 . 18753 1
497 . 1 1 45 45 GLY C C 13 174.7960 0.1 . 1 . . . A 45 GLY C . 18753 1
498 . 1 1 45 45 GLY CA C 13 45.8610 0.1 . 1 . . . A 45 GLY CA . 18753 1
499 . 1 1 45 45 GLY N N 15 109.6790 0.2 . 1 . . . A 45 GLY N . 18753 1
500 . 1 1 46 46 THR H H 1 8.2820 0.01 . 1 . . . A 46 THR H . 18753 1
501 . 1 1 46 46 THR HA H 1 4.2390 0.01 . 1 . . . A 46 THR HA . 18753 1
502 . 1 1 46 46 THR HB H 1 4.1350 0.01 . 1 . . . A 46 THR HB . 18753 1
503 . 1 1 46 46 THR HG21 H 1 1.1650 0.01 . 1 . . . A 46 THR HG21 . 18753 1
504 . 1 1 46 46 THR HG22 H 1 1.1650 0.01 . 1 . . . A 46 THR HG22 . 18753 1
505 . 1 1 46 46 THR HG23 H 1 1.1650 0.01 . 1 . . . A 46 THR HG23 . 18753 1
506 . 1 1 46 46 THR C C 13 174.0600 0.1 . 1 . . . A 46 THR C . 18753 1
507 . 1 1 46 46 THR CA C 13 64.7110 0.1 . 1 . . . A 46 THR CA . 18753 1
508 . 1 1 46 46 THR CB C 13 68.8410 0.1 . 1 . . . A 46 THR CB . 18753 1
509 . 1 1 46 46 THR CG2 C 13 22.1570 0.1 . 1 . . . A 46 THR CG2 . 18753 1
510 . 1 1 46 46 THR N N 15 116.4230 0.2 . 1 . . . A 46 THR N . 18753 1
511 . 1 1 47 47 LYS H H 1 7.4710 0.01 . 1 . . . A 47 LYS H . 18753 1
512 . 1 1 47 47 LYS HA H 1 4.5000 0.01 . 1 . . . A 47 LYS HA . 18753 1
513 . 1 1 47 47 LYS HB2 H 1 1.5010 0.01 . 2 . . . A 47 LYS HB2 . 18753 1
514 . 1 1 47 47 LYS HB3 H 1 1.5780 0.01 . 2 . . . A 47 LYS HB3 . 18753 1
515 . 1 1 47 47 LYS HG2 H 1 1.2360 0.01 . 2 . . . A 47 LYS HG2 . 18753 1
516 . 1 1 47 47 LYS HG3 H 1 1.2110 0.01 . 2 . . . A 47 LYS HG3 . 18753 1
517 . 1 1 47 47 LYS HD2 H 1 1.5910 0.01 . 2 . . . A 47 LYS HD2 . 18753 1
518 . 1 1 47 47 LYS HD3 H 1 1.6690 0.01 . 2 . . . A 47 LYS HD3 . 18753 1
519 . 1 1 47 47 LYS HE2 H 1 2.8800 0.01 . 2 . . . A 47 LYS HE2 . 18753 1
520 . 1 1 47 47 LYS HE3 H 1 2.8950 0.01 . 2 . . . A 47 LYS HE3 . 18753 1
521 . 1 1 47 47 LYS C C 13 173.9170 0.1 . 1 . . . A 47 LYS C . 18753 1
522 . 1 1 47 47 LYS CA C 13 55.0890 0.1 . 1 . . . A 47 LYS CA . 18753 1
523 . 1 1 47 47 LYS CB C 13 35.7690 0.1 . 1 . . . A 47 LYS CB . 18753 1
524 . 1 1 47 47 LYS CG C 13 25.2950 0.1 . 1 . . . A 47 LYS CG . 18753 1
525 . 1 1 47 47 LYS CD C 13 29.5880 0.1 . 1 . . . A 47 LYS CD . 18753 1
526 . 1 1 47 47 LYS CE C 13 42.1100 0.1 . 1 . . . A 47 LYS CE . 18753 1
527 . 1 1 47 47 LYS N N 15 119.7170 0.2 . 1 . . . A 47 LYS N . 18753 1
528 . 1 1 48 48 ASN H H 1 8.6090 0.01 . 1 . . . A 48 ASN H . 18753 1
529 . 1 1 48 48 ASN HA H 1 5.0040 0.01 . 1 . . . A 48 ASN HA . 18753 1
530 . 1 1 48 48 ASN HB2 H 1 2.7570 0.01 . 2 . . . A 48 ASN HB2 . 18753 1
531 . 1 1 48 48 ASN HB3 H 1 2.6540 0.01 . 2 . . . A 48 ASN HB3 . 18753 1
532 . 1 1 48 48 ASN HD21 H 1 7.5560 0.01 . 2 . . . A 48 ASN HD21 . 18753 1
533 . 1 1 48 48 ASN HD22 H 1 6.8640 0.01 . 2 . . . A 48 ASN HD22 . 18753 1
534 . 1 1 48 48 ASN C C 13 174.3680 0.1 . 1 . . . A 48 ASN C . 18753 1
535 . 1 1 48 48 ASN CA C 13 52.9330 0.1 . 1 . . . A 48 ASN CA . 18753 1
536 . 1 1 48 48 ASN CB C 13 40.1850 0.1 . 1 . . . A 48 ASN CB . 18753 1
537 . 1 1 48 48 ASN N N 15 121.2450 0.2 . 1 . . . A 48 ASN N . 18753 1
538 . 1 1 48 48 ASN ND2 N 15 112.8320 0.2 . 1 . . . A 48 ASN ND2 . 18753 1
539 . 1 1 49 49 VAL H H 1 8.1570 0.01 . 1 . . . A 49 VAL H . 18753 1
540 . 1 1 49 49 VAL HA H 1 4.5540 0.01 . 1 . . . A 49 VAL HA . 18753 1
541 . 1 1 49 49 VAL HB H 1 2.1100 0.01 . 1 . . . A 49 VAL HB . 18753 1
542 . 1 1 49 49 VAL HG11 H 1 0.9910 0.01 . 2 . . . A 49 VAL HG11 . 18753 1
543 . 1 1 49 49 VAL HG12 H 1 0.9910 0.01 . 2 . . . A 49 VAL HG12 . 18753 1
544 . 1 1 49 49 VAL HG13 H 1 0.9910 0.01 . 2 . . . A 49 VAL HG13 . 18753 1
545 . 1 1 49 49 VAL HG21 H 1 1.0290 0.01 . 2 . . . A 49 VAL HG21 . 18753 1
546 . 1 1 49 49 VAL HG22 H 1 1.0290 0.01 . 2 . . . A 49 VAL HG22 . 18753 1
547 . 1 1 49 49 VAL HG23 H 1 1.0290 0.01 . 2 . . . A 49 VAL HG23 . 18753 1
548 . 1 1 49 49 VAL C C 13 174.5110 0.1 . 1 . . . A 49 VAL C . 18753 1
549 . 1 1 49 49 VAL CA C 13 60.1340 0.1 . 1 . . . A 49 VAL CA . 18753 1
550 . 1 1 49 49 VAL CB C 13 35.8530 0.1 . 1 . . . A 49 VAL CB . 18753 1
551 . 1 1 49 49 VAL CG1 C 13 21.8910 0.1 . 2 . . . A 49 VAL CG1 . 18753 1
552 . 1 1 49 49 VAL CG2 C 13 20.3710 0.1 . 2 . . . A 49 VAL CG2 . 18753 1
553 . 1 1 49 49 VAL N N 15 118.9140 0.2 . 1 . . . A 49 VAL N . 18753 1
554 . 1 1 50 50 ASP H H 1 8.3450 0.01 . 1 . . . A 50 ASP H . 18753 1
555 . 1 1 50 50 ASP HA H 1 4.6750 0.01 . 1 . . . A 50 ASP HA . 18753 1
556 . 1 1 50 50 ASP HB2 H 1 2.7990 0.01 . 2 . . . A 50 ASP HB2 . 18753 1
557 . 1 1 50 50 ASP HB3 H 1 3.0200 0.01 . 2 . . . A 50 ASP HB3 . 18753 1
558 . 1 1 50 50 ASP C C 13 176.6950 0.1 . 1 . . . A 50 ASP C . 18753 1
559 . 1 1 50 50 ASP CA C 13 54.3100 0.1 . 1 . . . A 50 ASP CA . 18753 1
560 . 1 1 50 50 ASP CB C 13 42.0170 0.1 . 1 . . . A 50 ASP CB . 18753 1
561 . 1 1 50 50 ASP N N 15 121.9650 0.2 . 1 . . . A 50 ASP N . 18753 1
562 . 1 1 51 51 GLY H H 1 8.9240 0.01 . 1 . . . A 51 GLY H . 18753 1
563 . 1 1 51 51 GLY HA2 H 1 4.1430 0.01 . 2 . . . A 51 GLY HA2 . 18753 1
564 . 1 1 51 51 GLY HA3 H 1 4.2230 0.01 . 2 . . . A 51 GLY HA3 . 18753 1
565 . 1 1 51 51 GLY C C 13 176.7180 0.1 . 1 . . . A 51 GLY C . 18753 1
566 . 1 1 51 51 GLY CA C 13 47.9400 0.1 . 1 . . . A 51 GLY CA . 18753 1
567 . 1 1 51 51 GLY N N 15 109.0360 0.2 . 1 . . . A 51 GLY N . 18753 1
568 . 1 1 52 52 THR H H 1 8.4020 0.01 . 1 . . . A 52 THR H . 18753 1
569 . 1 1 52 52 THR HA H 1 4.4390 0.01 . 1 . . . A 52 THR HA . 18753 1
570 . 1 1 52 52 THR HB H 1 4.2530 0.01 . 1 . . . A 52 THR HB . 18753 1
571 . 1 1 52 52 THR HG21 H 1 1.3680 0.01 . 1 . . . A 52 THR HG21 . 18753 1
572 . 1 1 52 52 THR HG22 H 1 1.3680 0.01 . 1 . . . A 52 THR HG22 . 18753 1
573 . 1 1 52 52 THR HG23 H 1 1.3680 0.01 . 1 . . . A 52 THR HG23 . 18753 1
574 . 1 1 52 52 THR C C 13 176.5760 0.1 . 1 . . . A 52 THR C . 18753 1
575 . 1 1 52 52 THR CA C 13 66.3360 0.1 . 1 . . . A 52 THR CA . 18753 1
576 . 1 1 52 52 THR CB C 13 68.5080 0.1 . 1 . . . A 52 THR CB . 18753 1
577 . 1 1 52 52 THR CG2 C 13 22.4920 0.1 . 1 . . . A 52 THR CG2 . 18753 1
578 . 1 1 52 52 THR N N 15 118.0020 0.2 . 1 . . . A 52 THR N . 18753 1
579 . 1 1 53 53 THR H H 1 8.2790 0.01 . 1 . . . A 53 THR H . 18753 1
580 . 1 1 53 53 THR HA H 1 4.2340 0.01 . 1 . . . A 53 THR HA . 18753 1
581 . 1 1 53 53 THR HB H 1 3.8250 0.01 . 1 . . . A 53 THR HB . 18753 1
582 . 1 1 53 53 THR HG21 H 1 1.2310 0.01 . 1 . . . A 53 THR HG21 . 18753 1
583 . 1 1 53 53 THR HG22 H 1 1.2310 0.01 . 1 . . . A 53 THR HG22 . 18753 1
584 . 1 1 53 53 THR HG23 H 1 1.2310 0.01 . 1 . . . A 53 THR HG23 . 18753 1
585 . 1 1 53 53 THR C C 13 175.7210 0.1 . 1 . . . A 53 THR C . 18753 1
586 . 1 1 53 53 THR CB C 13 67.6550 0.1 . 1 . . . A 53 THR CB . 18753 1
587 . 1 1 53 53 THR CG2 C 13 21.9070 0.1 . 1 . . . A 53 THR CG2 . 18753 1
588 . 1 1 53 53 THR N N 15 121.7700 0.2 . 1 . . . A 53 THR N . 18753 1
589 . 1 1 54 54 TYR H H 1 8.3380 0.01 . 1 . . . A 54 TYR H . 18753 1
590 . 1 1 54 54 TYR HA H 1 3.9380 0.01 . 1 . . . A 54 TYR HA . 18753 1
591 . 1 1 54 54 TYR HB3 H 1 3.0450 0.01 . 2 . . . A 54 TYR HB3 . 18753 1
592 . 1 1 54 54 TYR HD2 H 1 6.9080 0.01 . 1 . . . A 54 TYR HD2 . 18753 1
593 . 1 1 54 54 TYR HE2 H 1 7.1110 0.01 . 3 . . . A 54 TYR HE2 . 18753 1
594 . 1 1 54 54 TYR CA C 13 61.9260 0.1 . 1 . . . A 54 TYR CA . 18753 1
595 . 1 1 54 54 TYR CB C 13 38.1980 0.1 . 1 . . . A 54 TYR CB . 18753 1
596 . 1 1 54 54 TYR CD1 C 13 129.0360 0.1 . 1 . . . A 54 TYR CD1 . 18753 1
597 . 1 1 54 54 TYR CE1 C 13 120.0070 0.1 . 1 . . . A 54 TYR CE1 . 18753 1
598 . 1 1 54 54 TYR N N 15 120.9960 0.2 . 1 . . . A 54 TYR N . 18753 1
599 . 1 1 55 55 LYS H H 1 8.0080 0.01 . 1 . . . A 55 LYS H . 18753 1
600 . 1 1 55 55 LYS HA H 1 3.9290 0.01 . 1 . . . A 55 LYS HA . 18753 1
601 . 1 1 55 55 LYS HB2 H 1 2.1040 0.01 . 2 . . . A 55 LYS HB2 . 18753 1
602 . 1 1 55 55 LYS HB3 H 1 1.9440 0.01 . 2 . . . A 55 LYS HB3 . 18753 1
603 . 1 1 55 55 LYS HG2 H 1 1.5240 0.01 . 2 . . . A 55 LYS HG2 . 18753 1
604 . 1 1 55 55 LYS HG3 H 1 1.4120 0.01 . 2 . . . A 55 LYS HG3 . 18753 1
605 . 1 1 55 55 LYS HD2 H 1 1.6870 0.01 . 2 . . . A 55 LYS HD2 . 18753 1
606 . 1 1 55 55 LYS HD3 H 1 1.7340 0.01 . 2 . . . A 55 LYS HD3 . 18753 1
607 . 1 1 55 55 LYS HE2 H 1 3.0330 0.01 . 2 . . . A 55 LYS HE2 . 18753 1
608 . 1 1 55 55 LYS HE3 H 1 2.9520 0.01 . 2 . . . A 55 LYS HE3 . 18753 1
609 . 1 1 55 55 LYS C C 13 179.8280 0.1 . 1 . . . A 55 LYS C . 18753 1
610 . 1 1 55 55 LYS CA C 13 59.5960 0.1 . 1 . . . A 55 LYS CA . 18753 1
611 . 1 1 55 55 LYS CB C 13 32.3120 0.1 . 1 . . . A 55 LYS CB . 18753 1
612 . 1 1 55 55 LYS CG C 13 25.5760 0.1 . 1 . . . A 55 LYS CG . 18753 1
613 . 1 1 55 55 LYS CD C 13 29.5250 0.1 . 1 . . . A 55 LYS CD . 18753 1
614 . 1 1 55 55 LYS CE C 13 42.2420 0.1 . 1 . . . A 55 LYS CE . 18753 1
615 . 1 1 55 55 LYS N N 15 117.0940 0.2 . 1 . . . A 55 LYS N . 18753 1
616 . 1 1 56 56 LYS H H 1 7.9730 0.01 . 1 . . . A 56 LYS H . 18753 1
617 . 1 1 56 56 LYS HA H 1 4.0870 0.01 . 1 . . . A 56 LYS HA . 18753 1
618 . 1 1 56 56 LYS HB2 H 1 2.0480 0.01 . 2 . . . A 56 LYS HB2 . 18753 1
619 . 1 1 56 56 LYS HB3 H 1 1.9410 0.01 . 2 . . . A 56 LYS HB3 . 18753 1
620 . 1 1 56 56 LYS HG2 H 1 1.5250 0.01 . 2 . . . A 56 LYS HG2 . 18753 1
621 . 1 1 56 56 LYS HG3 H 1 1.4120 0.01 . 2 . . . A 56 LYS HG3 . 18753 1
622 . 1 1 56 56 LYS HD2 H 1 1.7150 0.01 . 2 . . . A 56 LYS HD2 . 18753 1
623 . 1 1 56 56 LYS HD3 H 1 1.6840 0.01 . 2 . . . A 56 LYS HD3 . 18753 1
624 . 1 1 56 56 LYS HE3 H 1 3.0500 0.01 . 2 . . . A 56 LYS HE3 . 18753 1
625 . 1 1 56 56 LYS C C 13 179.4250 0.1 . 1 . . . A 56 LYS C . 18753 1
626 . 1 1 56 56 LYS CA C 13 59.9120 0.1 . 1 . . . A 56 LYS CA . 18753 1
627 . 1 1 56 56 LYS CB C 13 32.5490 0.1 . 1 . . . A 56 LYS CB . 18753 1
628 . 1 1 56 56 LYS CG C 13 26.0990 0.1 . 1 . . . A 56 LYS CG . 18753 1
629 . 1 1 56 56 LYS CD C 13 29.7570 0.1 . 1 . . . A 56 LYS CD . 18753 1
630 . 1 1 56 56 LYS CE C 13 42.4740 0.1 . 1 . . . A 56 LYS CE . 18753 1
631 . 1 1 56 56 LYS N N 15 120.0910 0.2 . 1 . . . A 56 LYS N . 18753 1
632 . 1 1 57 57 LEU H H 1 8.3510 0.01 . 1 . . . A 57 LEU H . 18753 1
633 . 1 1 57 57 LEU HA H 1 3.9340 0.01 . 1 . . . A 57 LEU HA . 18753 1
634 . 1 1 57 57 LEU HB2 H 1 1.9530 0.01 . 2 . . . A 57 LEU HB2 . 18753 1
635 . 1 1 57 57 LEU HB3 H 1 1.2490 0.01 . 2 . . . A 57 LEU HB3 . 18753 1
636 . 1 1 57 57 LEU HD11 H 1 0.8090 0.01 . 2 . . . A 57 LEU HD11 . 18753 1
637 . 1 1 57 57 LEU HD12 H 1 0.8090 0.01 . 2 . . . A 57 LEU HD12 . 18753 1
638 . 1 1 57 57 LEU HD13 H 1 0.8090 0.01 . 2 . . . A 57 LEU HD13 . 18753 1
639 . 1 1 57 57 LEU HD21 H 1 0.8430 0.01 . 2 . . . A 57 LEU HD21 . 18753 1
640 . 1 1 57 57 LEU HD22 H 1 0.8430 0.01 . 2 . . . A 57 LEU HD22 . 18753 1
641 . 1 1 57 57 LEU HD23 H 1 0.8430 0.01 . 2 . . . A 57 LEU HD23 . 18753 1
642 . 1 1 57 57 LEU C C 13 178.4510 0.1 . 1 . . . A 57 LEU C . 18753 1
643 . 1 1 57 57 LEU CA C 13 58.5330 0.1 . 1 . . . A 57 LEU CA . 18753 1
644 . 1 1 57 57 LEU CB C 13 40.2510 0.1 . 1 . . . A 57 LEU CB . 18753 1
645 . 1 1 57 57 LEU CG C 13 26.6010 0.1 . 1 . . . A 57 LEU CG . 18753 1
646 . 1 1 57 57 LEU CD1 C 13 25.1100 0.1 . 2 . . . A 57 LEU CD1 . 18753 1
647 . 1 1 57 57 LEU CD2 C 13 25.1100 0.1 . 2 . . . A 57 LEU CD2 . 18753 1
648 . 1 1 57 57 LEU N N 15 121.2200 0.2 . 1 . . . A 57 LEU N . 18753 1
649 . 1 1 58 58 VAL H H 1 8.1680 0.01 . 1 . . . A 58 VAL H . 18753 1
650 . 1 1 58 58 VAL HA H 1 3.6180 0.01 . 1 . . . A 58 VAL HA . 18753 1
651 . 1 1 58 58 VAL HB H 1 1.9560 0.01 . 1 . . . A 58 VAL HB . 18753 1
652 . 1 1 58 58 VAL HG11 H 1 0.9570 0.01 . 2 . . . A 58 VAL HG11 . 18753 1
653 . 1 1 58 58 VAL HG12 H 1 0.9570 0.01 . 2 . . . A 58 VAL HG12 . 18753 1
654 . 1 1 58 58 VAL HG13 H 1 0.9570 0.01 . 2 . . . A 58 VAL HG13 . 18753 1
655 . 1 1 58 58 VAL HG21 H 1 0.7340 0.01 . 2 . . . A 58 VAL HG21 . 18753 1
656 . 1 1 58 58 VAL HG22 H 1 0.7340 0.01 . 2 . . . A 58 VAL HG22 . 18753 1
657 . 1 1 58 58 VAL HG23 H 1 0.7340 0.01 . 2 . . . A 58 VAL HG23 . 18753 1
658 . 1 1 58 58 VAL C C 13 178.1430 0.1 . 1 . . . A 58 VAL C . 18753 1
659 . 1 1 58 58 VAL CA C 13 67.1750 0.1 . 1 . . . A 58 VAL CA . 18753 1
660 . 1 1 58 58 VAL CB C 13 31.6040 0.1 . 1 . . . A 58 VAL CB . 18753 1
661 . 1 1 58 58 VAL CG1 C 13 21.9760 0.1 . 2 . . . A 58 VAL CG1 . 18753 1
662 . 1 1 58 58 VAL CG2 C 13 22.3110 0.1 . 2 . . . A 58 VAL CG2 . 18753 1
663 . 1 1 58 58 VAL N N 15 119.5980 0.2 . 1 . . . A 58 VAL N . 18753 1
664 . 1 1 59 59 THR H H 1 8.0390 0.01 . 1 . . . A 59 THR H . 18753 1
665 . 1 1 59 59 THR HA H 1 4.3420 0.01 . 1 . . . A 59 THR HA . 18753 1
666 . 1 1 59 59 THR HB H 1 4.0810 0.01 . 1 . . . A 59 THR HB . 18753 1
667 . 1 1 59 59 THR HG21 H 1 1.3540 0.01 . 1 . . . A 59 THR HG21 . 18753 1
668 . 1 1 59 59 THR HG22 H 1 1.3540 0.01 . 1 . . . A 59 THR HG22 . 18753 1
669 . 1 1 59 59 THR HG23 H 1 1.3540 0.01 . 1 . . . A 59 THR HG23 . 18753 1
670 . 1 1 59 59 THR C C 13 176.9080 0.1 . 1 . . . A 59 THR C . 18753 1
671 . 1 1 59 59 THR CA C 13 67.0890 0.1 . 1 . . . A 59 THR CA . 18753 1
672 . 1 1 59 59 THR CB C 13 69.0080 0.1 . 1 . . . A 59 THR CB . 18753 1
673 . 1 1 59 59 THR CG2 C 13 21.9900 0.1 . 1 . . . A 59 THR CG2 . 18753 1
674 . 1 1 59 59 THR N N 15 116.1090 0.2 . 1 . . . A 59 THR N . 18753 1
675 . 1 1 60 60 LEU H H 1 7.9830 0.01 . 1 . . . A 60 LEU H . 18753 1
676 . 1 1 60 60 LEU HA H 1 4.1970 0.01 . 1 . . . A 60 LEU HA . 18753 1
677 . 1 1 60 60 LEU HB2 H 1 1.8660 0.01 . 2 . . . A 60 LEU HB2 . 18753 1
678 . 1 1 60 60 LEU HB3 H 1 1.9640 0.01 . 2 . . . A 60 LEU HB3 . 18753 1
679 . 1 1 60 60 LEU HG H 1 1.1370 0.01 . 1 . . . A 60 LEU HG . 18753 1
680 . 1 1 60 60 LEU HD11 H 1 0.9780 0.01 . 2 . . . A 60 LEU HD11 . 18753 1
681 . 1 1 60 60 LEU HD12 H 1 0.9780 0.01 . 2 . . . A 60 LEU HD12 . 18753 1
682 . 1 1 60 60 LEU HD13 H 1 0.9780 0.01 . 2 . . . A 60 LEU HD13 . 18753 1
683 . 1 1 60 60 LEU HD21 H 1 1.0400 0.01 . 2 . . . A 60 LEU HD21 . 18753 1
684 . 1 1 60 60 LEU HD22 H 1 1.0400 0.01 . 2 . . . A 60 LEU HD22 . 18753 1
685 . 1 1 60 60 LEU HD23 H 1 1.0400 0.01 . 2 . . . A 60 LEU HD23 . 18753 1
686 . 1 1 60 60 LEU C C 13 177.7390 0.1 . 1 . . . A 60 LEU C . 18753 1
687 . 1 1 60 60 LEU CA C 13 58.4950 0.1 . 1 . . . A 60 LEU CA . 18753 1
688 . 1 1 60 60 LEU CB C 13 42.3830 0.1 . 1 . . . A 60 LEU CB . 18753 1
689 . 1 1 60 60 LEU CG C 13 27.3700 0.1 . 1 . . . A 60 LEU CG . 18753 1
690 . 1 1 60 60 LEU CD1 C 13 25.9640 0.1 . 2 . . . A 60 LEU CD1 . 18753 1
691 . 1 1 60 60 LEU CD2 C 13 24.9810 0.1 . 2 . . . A 60 LEU CD2 . 18753 1
692 . 1 1 60 60 LEU N N 15 123.2500 0.2 . 1 . . . A 60 LEU N . 18753 1
693 . 1 1 61 61 TYR H H 1 8.7150 0.01 . 1 . . . A 61 TYR H . 18753 1
694 . 1 1 61 61 TYR HA H 1 4.2850 0.01 . 1 . . . A 61 TYR HA . 18753 1
695 . 1 1 61 61 TYR HB2 H 1 2.9990 0.01 . 2 . . . A 61 TYR HB2 . 18753 1
696 . 1 1 61 61 TYR HB3 H 1 3.2890 0.01 . 2 . . . A 61 TYR HB3 . 18753 1
697 . 1 1 61 61 TYR HD2 H 1 7.0300 0.01 . 3 . . . A 61 TYR HD2 . 18753 1
698 . 1 1 61 61 TYR HE2 H 1 6.8300 0.01 . 3 . . . A 61 TYR HE2 . 18753 1
699 . 1 1 61 61 TYR C C 13 177.4780 0.1 . 1 . . . A 61 TYR C . 18753 1
700 . 1 1 61 61 TYR CA C 13 61.4290 0.1 . 1 . . . A 61 TYR CA . 18753 1
701 . 1 1 61 61 TYR CB C 13 38.6850 0.1 . 1 . . . A 61 TYR CB . 18753 1
702 . 1 1 61 61 TYR CD1 C 13 130.7120 0.1 . 3 . . . A 61 TYR CD1 . 18753 1
703 . 1 1 61 61 TYR CE1 C 13 118.4530 0.1 . 3 . . . A 61 TYR CE1 . 18753 1
704 . 1 1 61 61 TYR N N 15 120.3390 0.2 . 1 . . . A 61 TYR N . 18753 1
705 . 1 1 62 62 ASP H H 1 8.5090 0.01 . 1 . . . A 62 ASP H . 18753 1
706 . 1 1 62 62 ASP HA H 1 4.2410 0.01 . 1 . . . A 62 ASP HA . 18753 1
707 . 1 1 62 62 ASP HB2 H 1 2.9050 0.01 . 2 . . . A 62 ASP HB2 . 18753 1
708 . 1 1 62 62 ASP HB3 H 1 2.7250 0.01 . 2 . . . A 62 ASP HB3 . 18753 1
709 . 1 1 62 62 ASP C C 13 178.4280 0.1 . 1 . . . A 62 ASP C . 18753 1
710 . 1 1 62 62 ASP CA C 13 57.5630 0.1 . 1 . . . A 62 ASP CA . 18753 1
711 . 1 1 62 62 ASP CB C 13 40.1850 0.1 . 1 . . . A 62 ASP CB . 18753 1
712 . 1 1 62 62 ASP N N 15 119.0580 0.2 . 1 . . . A 62 ASP N . 18753 1
713 . 1 1 63 63 ARG H H 1 7.9030 0.01 . 1 . . . A 63 ARG H . 18753 1
714 . 1 1 63 63 ARG HA H 1 4.1010 0.01 . 1 . . . A 63 ARG HA . 18753 1
715 . 1 1 63 63 ARG HB2 H 1 1.9850 0.01 . 2 . . . A 63 ARG HB2 . 18753 1
716 . 1 1 63 63 ARG HB3 H 1 1.8180 0.01 . 2 . . . A 63 ARG HB3 . 18753 1
717 . 1 1 63 63 ARG HG2 H 1 1.6240 0.01 . 2 . . . A 63 ARG HG2 . 18753 1
718 . 1 1 63 63 ARG HG3 H 1 1.6740 0.01 . 2 . . . A 63 ARG HG3 . 18753 1
719 . 1 1 63 63 ARG HD2 H 1 3.1410 0.01 . 2 . . . A 63 ARG HD2 . 18753 1
720 . 1 1 63 63 ARG HD3 H 1 3.0500 0.01 . 2 . . . A 63 ARG HD3 . 18753 1
721 . 1 1 63 63 ARG C C 13 178.4280 0.1 . 1 . . . A 63 ARG C . 18753 1
722 . 1 1 63 63 ARG CA C 13 59.4720 0.1 . 1 . . . A 63 ARG CA . 18753 1
723 . 1 1 63 63 ARG CB C 13 29.8550 0.1 . 1 . . . A 63 ARG CB . 18753 1
724 . 1 1 63 63 ARG CG C 13 27.6380 0.1 . 1 . . . A 63 ARG CG . 18753 1
725 . 1 1 63 63 ARG CD C 13 44.1790 0.1 . 1 . . . A 63 ARG CD . 18753 1
726 . 1 1 63 63 ARG N N 15 119.4990 0.2 . 1 . . . A 63 ARG N . 18753 1
727 . 1 1 64 64 PHE H H 1 8.0260 0.01 . 1 . . . A 64 PHE H . 18753 1
728 . 1 1 64 64 PHE HA H 1 4.3860 0.01 . 1 . . . A 64 PHE HA . 18753 1
729 . 1 1 64 64 PHE HB2 H 1 3.1030 0.01 . 2 . . . A 64 PHE HB2 . 18753 1
730 . 1 1 64 64 PHE HB3 H 1 2.9590 0.01 . 2 . . . A 64 PHE HB3 . 18753 1
731 . 1 1 64 64 PHE HD2 H 1 7.3870 0.01 . 3 . . . A 64 PHE HD2 . 18753 1
732 . 1 1 64 64 PHE HE2 H 1 7.1870 0.01 . 3 . . . A 64 PHE HE2 . 18753 1
733 . 1 1 64 64 PHE C C 13 177.3360 0.1 . 1 . . . A 64 PHE C . 18753 1
734 . 1 1 64 64 PHE CA C 13 60.5170 0.1 . 1 . . . A 64 PHE CA . 18753 1
735 . 1 1 64 64 PHE CB C 13 39.7680 0.1 . 1 . . . A 64 PHE CB . 18753 1
736 . 1 1 64 64 PHE CD1 C 13 131.9700 0.1 . 3 . . . A 64 PHE CD1 . 18753 1
737 . 1 1 64 64 PHE CE1 C 13 130.9700 0.1 . 3 . . . A 64 PHE CE1 . 18753 1
738 . 1 1 64 64 PHE N N 15 116.5390 0.2 . 1 . . . A 64 PHE N . 18753 1
739 . 1 1 65 65 ARG H H 1 7.8810 0.01 . 1 . . . A 65 ARG H . 18753 1
740 . 1 1 65 65 ARG HA H 1 4.0820 0.01 . 1 . . . A 65 ARG HA . 18753 1
741 . 1 1 65 65 ARG HB2 H 1 1.4340 0.01 . 2 . . . A 65 ARG HB2 . 18753 1
742 . 1 1 65 65 ARG HB3 H 1 1.2590 0.01 . 2 . . . A 65 ARG HB3 . 18753 1
743 . 1 1 65 65 ARG HG2 H 1 1.1790 0.01 . 2 . . . A 65 ARG HG2 . 18753 1
744 . 1 1 65 65 ARG HG3 H 1 1.6100 0.01 . 2 . . . A 65 ARG HG3 . 18753 1
745 . 1 1 65 65 ARG HD2 H 1 2.8150 0.01 . 2 . . . A 65 ARG HD2 . 18753 1
746 . 1 1 65 65 ARG HD3 H 1 2.6510 0.01 . 2 . . . A 65 ARG HD3 . 18753 1
747 . 1 1 65 65 ARG C C 13 176.7420 0.1 . 1 . . . A 65 ARG C . 18753 1
748 . 1 1 65 65 ARG CA C 13 57.8450 0.1 . 1 . . . A 65 ARG CA . 18753 1
749 . 1 1 65 65 ARG CB C 13 30.4380 0.1 . 1 . . . A 65 ARG CB . 18753 1
750 . 1 1 65 65 ARG CG C 13 26.7880 0.1 . 1 . . . A 65 ARG CG . 18753 1
751 . 1 1 65 65 ARG CD C 13 43.7280 0.1 . 1 . . . A 65 ARG CD . 18753 1
752 . 1 1 65 65 ARG N N 15 118.0540 0.2 . 1 . . . A 65 ARG N . 18753 1
753 . 1 1 66 66 PHE H H 1 8.0360 0.01 . 1 . . . A 66 PHE H . 18753 1
754 . 1 1 66 66 PHE HA H 1 4.8140 0.01 . 1 . . . A 66 PHE HA . 18753 1
755 . 1 1 66 66 PHE HB2 H 1 3.2830 0.01 . 2 . . . A 66 PHE HB2 . 18753 1
756 . 1 1 66 66 PHE HB3 H 1 3.0230 0.01 . 2 . . . A 66 PHE HB3 . 18753 1
757 . 1 1 66 66 PHE HD2 H 1 7.3090 0.01 . 3 . . . A 66 PHE HD2 . 18753 1
758 . 1 1 66 66 PHE HE2 H 1 7.1110 0.01 . 3 . . . A 66 PHE HE2 . 18753 1
759 . 1 1 66 66 PHE C C 13 175.7930 0.1 . 1 . . . A 66 PHE C . 18753 1
760 . 1 1 66 66 PHE CA C 13 57.2940 0.1 . 1 . . . A 66 PHE CA . 18753 1
761 . 1 1 66 66 PHE CB C 13 39.6010 0.1 . 1 . . . A 66 PHE CB . 18753 1
762 . 1 1 66 66 PHE CD1 C 13 131.9700 0.1 . 3 . . . A 66 PHE CD1 . 18753 1
763 . 1 1 66 66 PHE CE1 C 13 132.9700 0.1 . 3 . . . A 66 PHE CE1 . 18753 1
764 . 1 1 66 66 PHE N N 15 118.5760 0.2 . 1 . . . A 66 PHE N . 18753 1
765 . 1 1 67 67 GLU H H 1 8.1020 0.01 . 1 . . . A 67 GLU H . 18753 1
766 . 1 1 67 67 GLU HA H 1 4.3310 0.01 . 1 . . . A 67 GLU HA . 18753 1
767 . 1 1 67 67 GLU HB2 H 1 2.1150 0.01 . 2 . . . A 67 GLU HB2 . 18753 1
768 . 1 1 67 67 GLU HB3 H 1 2.0140 0.01 . 2 . . . A 67 GLU HB3 . 18753 1
769 . 1 1 67 67 GLU HG2 H 1 2.2960 0.01 . 2 . . . A 67 GLU HG2 . 18753 1
770 . 1 1 67 67 GLU HG3 H 1 2.2630 0.01 . 2 . . . A 67 GLU HG3 . 18753 1
771 . 1 1 67 67 GLU C C 13 175.1990 0.1 . 1 . . . A 67 GLU C . 18753 1
772 . 1 1 67 67 GLU CA C 13 56.9060 0.1 . 1 . . . A 67 GLU CA . 18753 1
773 . 1 1 67 67 GLU CB C 13 30.2710 0.1 . 1 . . . A 67 GLU CB . 18753 1
774 . 1 1 67 67 GLU CG C 13 36.7830 0.1 . 1 . . . A 67 GLU CG . 18753 1
775 . 1 1 67 67 GLU N N 15 121.3440 0.2 . 1 . . . A 67 GLU N . 18753 1
776 . 1 1 68 68 ASN H H 1 7.9910 0.01 . 1 . . . A 68 ASN H . 18753 1
777 . 1 1 68 68 ASN HA H 1 4.5060 0.01 . 1 . . . A 68 ASN HA . 18753 1
778 . 1 1 68 68 ASN HB2 H 1 2.7690 0.01 . 2 . . . A 68 ASN HB2 . 18753 1
779 . 1 1 68 68 ASN HB3 H 1 2.6870 0.01 . 2 . . . A 68 ASN HB3 . 18753 1
780 . 1 1 68 68 ASN HD21 H 1 7.5110 0.01 . 2 . . . A 68 ASN HD21 . 18753 1
781 . 1 1 68 68 ASN HD22 H 1 6.8030 0.01 . 2 . . . A 68 ASN HD22 . 18753 1
782 . 1 1 68 68 ASN CA C 13 55.0090 0.1 . 1 . . . A 68 ASN CA . 18753 1
783 . 1 1 68 68 ASN CB C 13 40.7160 0.1 . 1 . . . A 68 ASN CB . 18753 1
784 . 1 1 68 68 ASN N N 15 124.9700 0.2 . 1 . . . A 68 ASN N . 18753 1
785 . 1 1 68 68 ASN ND2 N 15 112.6790 0.2 . 1 . . . A 68 ASN ND2 . 18753 1
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