data_10214
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10214
_Entry.Title
;
Solution structure of the second WW domain from the human membrane-associated
guanylate kinase, WW and PDZ domain-containing protein 1. MAGI-1
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2008-04-22
_Entry.Accession_date 2008-04-22
_Entry.Last_release_date 2009-04-04
_Entry.Original_release_date 2009-04-04
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.8.120
_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 S. Ohnishi . . . 10214
2 N. Tochio . . . 10214
3 T. Tomizawa . . . 10214
4 R. Akasaka . . . 10214
5 T. Harada . . . 10214
6 E. Seki . . . 10214
7 M. Sato . . . 10214
8 S. Watanabe . . . 10214
9 Y. Fujikura . . . 10214
10 S. Koshiba . . . 10214
11 T. Terada . . . 10214
12 M. Shirouzu . . . 10214
13 A. Tanaka . . . 10214
14 T. Kigawa . . . 10214
15 S. Yokoyama . . . 10214
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 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10214
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 10214
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 253 10214
'15N chemical shifts' 57 10214
'1H chemical shifts' 369 10214
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 . . 2009-04-04 2008-04-22 original author . 10214
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2YSE 'BMRB Entry Tracking System' 10214
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 10214
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 18562638
_Citation.Full_citation .
_Citation.Title
;
Structural basis for controlling the dimerization and stability of the WW
domains of an atypical subfamily.
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Protein Sci.'
_Citation.Journal_name_full 'Protein Science'
_Citation.Journal_volume 17
_Citation.Journal_issue 9
_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 1531
_Citation.Page_last 1541
_Citation.Year 2008
_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 S. Ohnishi . . . 10214 1
2 N. Tochio . . . 10214 1
3 T. Tomizawa . . . 10214 1
4 R. Akasaka . . . 10214 1
5 T. Harada . . . 10214 1
6 E. Seki . . . 10214 1
7 M. Sato . . . 10214 1
8 S. Watanabe . . . 10214 1
9 Y. Fujikura . . . 10214 1
10 S. Koshiba . . . 10214 1
11 T. Terada . . . 10214 1
12 M. Shirouzu . . . 10214 1
13 A. Tanaka . . . 10214 1
14 T. Kigawa . . . 10214 1
15 S. Yokoyama . . . 10214 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 10214
_Assembly.ID 1
_Assembly.Name 'Membrane-associated guanylate kinase'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'WW domain' 1 $entity_1 . . yes native no no . . . 10214 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
. PDB 2YSE . . . . . . 10214 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 10214
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'WW domain'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GSSGSSGLDSELELPAGWEK
IEDPVYGIYYVDHINRKTQY
ENPVLEAKRKKQLESGPSSG
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 60
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-26
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2YSE . "Solution Structure Of The Second Ww Domain From The Human Membrane-Associated Guanylate Kinase, Ww And Pdz Domain- Containing P" . . . . . 100.00 60 100.00 100.00 7.15e-34 . . . . 10214 1
2 no DBJ BAA32002 . "BAI1-associated protein 1 [Homo sapiens]" . . . . . 78.33 1256 100.00 100.00 1.10e-22 . . . . 10214 1
3 no DBJ BAD90296 . "mKIAA4129 protein [Mus musculus]" . . . . . 78.33 1125 97.87 100.00 1.66e-22 . . . . 10214 1
4 no DBJ BAE07184 . "MAGI1a [Mus musculus]" . . . . . 70.00 1235 97.62 100.00 2.47e-19 . . . . 10214 1
5 no DBJ BAE07185 . "MAGI1c [Mus musculus]" . . . . . 70.00 1470 97.62 100.00 2.80e-19 . . . . 10214 1
6 no DBJ BAE37498 . "unnamed protein product [Mus musculus]" . . . . . 78.33 1181 97.87 100.00 1.48e-22 . . . . 10214 1
7 no EMBL CAH91366 . "hypothetical protein [Pongo abelii]" . . . . . 78.33 1030 100.00 100.00 8.04e-23 . . . . 10214 1
8 no GB AAB91995 . "putative membrane-associated guanylate kinase 1 [Mus musculus]" . . . . . 70.00 1171 97.62 100.00 2.81e-19 . . . . 10214 1
9 no GB AAC04844 . "membrane associated guanylate kinase 1 [Homo sapiens]" . . . . . 78.33 677 100.00 100.00 5.26e-23 . . . . 10214 1
10 no GB AAH95943 . "Magi1 protein, partial [Mus musculus]" . . . . . 78.33 1115 97.87 100.00 1.85e-22 . . . . 10214 1
11 no GB AAI50821 . "Magi1 protein [Mus musculus]" . . . . . 78.33 1280 97.87 100.00 1.72e-22 . . . . 10214 1
12 no GB AAI67863 . "Membrane associated guanylate kinase, WW and PDZ domain containing 1 [synthetic construct]" . . . . . 78.33 1256 100.00 100.00 1.05e-22 . . . . 10214 1
13 no REF NP_001025021 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform c [Mus musculus]" . . . . . 78.33 1471 97.87 100.00 1.90e-22 . . . . 10214 1
14 no REF NP_001028229 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform c [Homo sapiens]" . . . . . 78.33 1462 100.00 100.00 1.19e-22 . . . . 10214 1
15 no REF NP_001076789 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform b [Mus musculus]" . . . . . 78.33 1255 97.87 100.00 1.52e-22 . . . . 10214 1
16 no REF NP_001076790 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform d [Mus musculus]" . . . . . 78.33 1020 97.87 100.00 1.28e-22 . . . . 10214 1
17 no REF NP_001125806 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 [Pongo abelii]" . . . . . 78.33 1030 100.00 100.00 8.04e-23 . . . . 10214 1
18 no SP Q6RHR9 . "RecName: Full=Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1; AltName: Full=BAI1-associated prote" . . . . . 78.33 1471 97.87 100.00 1.90e-22 . . . . 10214 1
19 no SP Q96QZ7 . "RecName: Full=Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1; AltName: Full=Atrophin-1-interactin" . . . . . 78.33 1491 100.00 100.00 1.17e-22 . . . . 10214 1
20 no TPG DAA17112 . "TPA: membrane associated guanylate kinase, WW and PDZ domain containing 1 [Bos taurus]" . . . . . 78.33 1452 100.00 100.00 1.12e-22 . . . . 10214 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'WW domain' . 10214 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 . 10214 1
2 . SER . 10214 1
3 . SER . 10214 1
4 . GLY . 10214 1
5 . SER . 10214 1
6 . SER . 10214 1
7 . GLY . 10214 1
8 . LEU . 10214 1
9 . ASP . 10214 1
10 . SER . 10214 1
11 . GLU . 10214 1
12 . LEU . 10214 1
13 . GLU . 10214 1
14 . LEU . 10214 1
15 . PRO . 10214 1
16 . ALA . 10214 1
17 . GLY . 10214 1
18 . TRP . 10214 1
19 . GLU . 10214 1
20 . LYS . 10214 1
21 . ILE . 10214 1
22 . GLU . 10214 1
23 . ASP . 10214 1
24 . PRO . 10214 1
25 . VAL . 10214 1
26 . TYR . 10214 1
27 . GLY . 10214 1
28 . ILE . 10214 1
29 . TYR . 10214 1
30 . TYR . 10214 1
31 . VAL . 10214 1
32 . ASP . 10214 1
33 . HIS . 10214 1
34 . ILE . 10214 1
35 . ASN . 10214 1
36 . ARG . 10214 1
37 . LYS . 10214 1
38 . THR . 10214 1
39 . GLN . 10214 1
40 . TYR . 10214 1
41 . GLU . 10214 1
42 . ASN . 10214 1
43 . PRO . 10214 1
44 . VAL . 10214 1
45 . LEU . 10214 1
46 . GLU . 10214 1
47 . ALA . 10214 1
48 . LYS . 10214 1
49 . ARG . 10214 1
50 . LYS . 10214 1
51 . LYS . 10214 1
52 . GLN . 10214 1
53 . LEU . 10214 1
54 . GLU . 10214 1
55 . SER . 10214 1
56 . GLY . 10214 1
57 . PRO . 10214 1
58 . SER . 10214 1
59 . SER . 10214 1
60 . GLY . 10214 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 10214 1
. SER 2 2 10214 1
. SER 3 3 10214 1
. GLY 4 4 10214 1
. SER 5 5 10214 1
. SER 6 6 10214 1
. GLY 7 7 10214 1
. LEU 8 8 10214 1
. ASP 9 9 10214 1
. SER 10 10 10214 1
. GLU 11 11 10214 1
. LEU 12 12 10214 1
. GLU 13 13 10214 1
. LEU 14 14 10214 1
. PRO 15 15 10214 1
. ALA 16 16 10214 1
. GLY 17 17 10214 1
. TRP 18 18 10214 1
. GLU 19 19 10214 1
. LYS 20 20 10214 1
. ILE 21 21 10214 1
. GLU 22 22 10214 1
. ASP 23 23 10214 1
. PRO 24 24 10214 1
. VAL 25 25 10214 1
. TYR 26 26 10214 1
. GLY 27 27 10214 1
. ILE 28 28 10214 1
. TYR 29 29 10214 1
. TYR 30 30 10214 1
. VAL 31 31 10214 1
. ASP 32 32 10214 1
. HIS 33 33 10214 1
. ILE 34 34 10214 1
. ASN 35 35 10214 1
. ARG 36 36 10214 1
. LYS 37 37 10214 1
. THR 38 38 10214 1
. GLN 39 39 10214 1
. TYR 40 40 10214 1
. GLU 41 41 10214 1
. ASN 42 42 10214 1
. PRO 43 43 10214 1
. VAL 44 44 10214 1
. LEU 45 45 10214 1
. GLU 46 46 10214 1
. ALA 47 47 10214 1
. LYS 48 48 10214 1
. ARG 49 49 10214 1
. LYS 50 50 10214 1
. LYS 51 51 10214 1
. GLN 52 52 10214 1
. LEU 53 53 10214 1
. GLU 54 54 10214 1
. SER 55 55 10214 1
. GLY 56 56 10214 1
. PRO 57 57 10214 1
. SER 58 58 10214 1
. SER 59 59 10214 1
. GLY 60 60 10214 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 10214
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10214 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 10214
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P061024-05 . . . . . . 10214 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 10214
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'WW domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.0 . . mM . . . . 10214 1
2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10214 1
3 NaCl . . . . . . salt 100 . . mM . . . . 10214 1
4 d-DTT . . . . . . salt 1 . . mM . . . . 10214 1
5 NaN3 . . . . . . salt 0.02 . . mM . . . . 10214 1
6 H2O . . . . . . solvent 90 . . % . . . . 10214 1
7 D2O . . . . . . solvent 10 . . % . . . . 10214 1
stop_
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode condition_1
_Sample_condition_list.Entry_ID 10214
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 120 0.1 mM 10214 1
pH 7.0 0.05 pH 10214 1
pressure 1 0.001 atm 10214 1
temperature 296 0.1 K 10214 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 10214
_Software.ID 1
_Software.Name xwinnmr
_Software.Version 3.5
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Bruker . . 10214 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 10214 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 10214
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 20030801
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, F.' . . 10214 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 10214 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 10214
_Software.ID 3
_Software.Name NMRView
_Software.Version 5.0.4
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Johnson, B.A.' . . 10214 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 10214 3
stop_
save_
save_software_4
_Software.Sf_category software
_Software.Sf_framecode software_4
_Software.Entry_ID 10214
_Software.ID 4
_Software.Name Kujira
_Software.Version 0.9820
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Kobayashi, N.' . . 10214 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 10214 4
stop_
save_
save_software_5
_Software.Sf_category software
_Software.Sf_framecode software_5
_Software.Entry_ID 10214
_Software.ID 5
_Software.Name CYANA
_Software.Version 2.0.17
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, P.' . . 10214 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 10214 5
'structure solution' 10214 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 10214
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 10214
_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 . 800 . . . 10214 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 10214
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10214 1
2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10214 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode reference_1
_Chem_shift_reference.Entry_ID 10214
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10214 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10214 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10214 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_1
_Assigned_chem_shift_list.Entry_ID 10214
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10214 1
2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10214 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 5 5 SER N N 15 115.829 0.300 . 1 . . . . 5 SER N . 10214 1
2 . 1 1 5 5 SER CA C 13 58.317 0.300 . 1 . . . . 5 SER CA . 10214 1
3 . 1 1 5 5 SER CB C 13 63.703 0.300 . 1 . . . . 5 SER CB . 10214 1
4 . 1 1 5 5 SER C C 13 174.849 0.300 . 1 . . . . 5 SER C . 10214 1
5 . 1 1 6 6 SER N N 15 117.994 0.300 . 1 . . . . 6 SER N . 10214 1
6 . 1 1 6 6 SER CA C 13 58.677 0.300 . 1 . . . . 6 SER CA . 10214 1
7 . 1 1 6 6 SER HA H 1 4.501 0.030 . 1 . . . . 6 SER HA . 10214 1
8 . 1 1 6 6 SER CB C 13 63.732 0.300 . 1 . . . . 6 SER CB . 10214 1
9 . 1 1 6 6 SER HB2 H 1 4.224 0.030 . 2 . . . . 6 SER HB2 . 10214 1
10 . 1 1 6 6 SER C C 13 175.043 0.300 . 1 . . . . 6 SER C . 10214 1
11 . 1 1 7 7 GLY N N 15 110.716 0.300 . 1 . . . . 7 GLY N . 10214 1
12 . 1 1 7 7 GLY H H 1 8.429 0.030 . 1 . . . . 7 GLY H . 10214 1
13 . 1 1 7 7 GLY CA C 13 45.403 0.300 . 1 . . . . 7 GLY CA . 10214 1
14 . 1 1 7 7 GLY HA2 H 1 3.976 0.030 . 1 . . . . 7 GLY HA2 . 10214 1
15 . 1 1 7 7 GLY HA3 H 1 3.976 0.030 . 1 . . . . 7 GLY HA3 . 10214 1
16 . 1 1 7 7 GLY C C 13 174.231 0.300 . 1 . . . . 7 GLY C . 10214 1
17 . 1 1 8 8 LEU N N 15 121.547 0.300 . 1 . . . . 8 LEU N . 10214 1
18 . 1 1 8 8 LEU H H 1 8.132 0.030 . 1 . . . . 8 LEU H . 10214 1
19 . 1 1 8 8 LEU CA C 13 55.233 0.300 . 1 . . . . 8 LEU CA . 10214 1
20 . 1 1 8 8 LEU HA H 1 4.356 0.030 . 1 . . . . 8 LEU HA . 10214 1
21 . 1 1 8 8 LEU CB C 13 42.416 0.300 . 1 . . . . 8 LEU CB . 10214 1
22 . 1 1 8 8 LEU HB2 H 1 1.620 0.030 . 1 . . . . 8 LEU HB2 . 10214 1
23 . 1 1 8 8 LEU HB3 H 1 1.620 0.030 . 1 . . . . 8 LEU HB3 . 10214 1
24 . 1 1 8 8 LEU CG C 13 27.013 0.300 . 1 . . . . 8 LEU CG . 10214 1
25 . 1 1 8 8 LEU HG H 1 1.594 0.030 . 1 . . . . 8 LEU HG . 10214 1
26 . 1 1 8 8 LEU CD1 C 13 24.927 0.300 . 2 . . . . 8 LEU CD1 . 10214 1
27 . 1 1 8 8 LEU HD11 H 1 0.846 0.030 . 1 . . . . 8 LEU HD1 . 10214 1
28 . 1 1 8 8 LEU HD12 H 1 0.846 0.030 . 1 . . . . 8 LEU HD1 . 10214 1
29 . 1 1 8 8 LEU HD13 H 1 0.846 0.030 . 1 . . . . 8 LEU HD1 . 10214 1
30 . 1 1 8 8 LEU CD2 C 13 23.426 0.300 . 2 . . . . 8 LEU CD2 . 10214 1
31 . 1 1 8 8 LEU C C 13 177.479 0.300 . 1 . . . . 8 LEU C . 10214 1
32 . 1 1 9 9 ASP N N 15 120.983 0.300 . 1 . . . . 9 ASP N . 10214 1
33 . 1 1 9 9 ASP H H 1 8.413 0.030 . 1 . . . . 9 ASP H . 10214 1
34 . 1 1 9 9 ASP CA C 13 54.826 0.300 . 1 . . . . 9 ASP CA . 10214 1
35 . 1 1 9 9 ASP HA H 1 4.555 0.030 . 1 . . . . 9 ASP HA . 10214 1
36 . 1 1 9 9 ASP CB C 13 40.967 0.300 . 1 . . . . 9 ASP CB . 10214 1
37 . 1 1 9 9 ASP HB2 H 1 2.621 0.030 . 2 . . . . 9 ASP HB2 . 10214 1
38 . 1 1 9 9 ASP HB3 H 1 2.702 0.030 . 2 . . . . 9 ASP HB3 . 10214 1
39 . 1 1 9 9 ASP C C 13 176.609 0.300 . 1 . . . . 9 ASP C . 10214 1
40 . 1 1 10 10 SER N N 15 115.538 0.300 . 1 . . . . 10 SER N . 10214 1
41 . 1 1 10 10 SER H H 1 8.146 0.030 . 1 . . . . 10 SER H . 10214 1
42 . 1 1 10 10 SER CA C 13 58.926 0.300 . 1 . . . . 10 SER CA . 10214 1
43 . 1 1 10 10 SER HA H 1 4.361 0.030 . 1 . . . . 10 SER HA . 10214 1
44 . 1 1 10 10 SER CB C 13 63.924 0.300 . 1 . . . . 10 SER CB . 10214 1
45 . 1 1 10 10 SER HB2 H 1 3.830 0.030 . 2 . . . . 10 SER HB2 . 10214 1
46 . 1 1 10 10 SER HB3 H 1 3.903 0.030 . 2 . . . . 10 SER HB3 . 10214 1
47 . 1 1 10 10 SER C C 13 174.922 0.300 . 1 . . . . 10 SER C . 10214 1
48 . 1 1 11 11 GLU N N 15 122.324 0.300 . 1 . . . . 11 GLU N . 10214 1
49 . 1 1 11 11 GLU H H 1 8.416 0.030 . 1 . . . . 11 GLU H . 10214 1
50 . 1 1 11 11 GLU CA C 13 56.763 0.300 . 1 . . . . 11 GLU CA . 10214 1
51 . 1 1 11 11 GLU HA H 1 4.262 0.030 . 1 . . . . 11 GLU HA . 10214 1
52 . 1 1 11 11 GLU CB C 13 29.860 0.300 . 1 . . . . 11 GLU CB . 10214 1
53 . 1 1 11 11 GLU HB2 H 1 2.067 0.030 . 2 . . . . 11 GLU HB2 . 10214 1
54 . 1 1 11 11 GLU HB3 H 1 1.959 0.030 . 2 . . . . 11 GLU HB3 . 10214 1
55 . 1 1 11 11 GLU CG C 13 36.357 0.300 . 1 . . . . 11 GLU CG . 10214 1
56 . 1 1 11 11 GLU HG2 H 1 2.219 0.030 . 2 . . . . 11 GLU HG2 . 10214 1
57 . 1 1 11 11 GLU HG3 H 1 2.285 0.030 . 2 . . . . 11 GLU HG3 . 10214 1
58 . 1 1 11 11 GLU C C 13 176.347 0.300 . 1 . . . . 11 GLU C . 10214 1
59 . 1 1 12 12 LEU N N 15 121.580 0.300 . 1 . . . . 12 LEU N . 10214 1
60 . 1 1 12 12 LEU H H 1 7.957 0.030 . 1 . . . . 12 LEU H . 10214 1
61 . 1 1 12 12 LEU CA C 13 54.921 0.300 . 1 . . . . 12 LEU CA . 10214 1
62 . 1 1 12 12 LEU HA H 1 4.311 0.030 . 1 . . . . 12 LEU HA . 10214 1
63 . 1 1 12 12 LEU CB C 13 42.313 0.300 . 1 . . . . 12 LEU CB . 10214 1
64 . 1 1 12 12 LEU HB2 H 1 1.627 0.030 . 2 . . . . 12 LEU HB2 . 10214 1
65 . 1 1 12 12 LEU HB3 H 1 1.535 0.030 . 2 . . . . 12 LEU HB3 . 10214 1
66 . 1 1 12 12 LEU CG C 13 27.013 0.300 . 1 . . . . 12 LEU CG . 10214 1
67 . 1 1 12 12 LEU HG H 1 1.610 0.030 . 1 . . . . 12 LEU HG . 10214 1
68 . 1 1 12 12 LEU CD1 C 13 25.214 0.300 . 2 . . . . 12 LEU CD1 . 10214 1
69 . 1 1 12 12 LEU HD11 H 1 0.882 0.030 . 1 . . . . 12 LEU HD1 . 10214 1
70 . 1 1 12 12 LEU HD12 H 1 0.882 0.030 . 1 . . . . 12 LEU HD1 . 10214 1
71 . 1 1 12 12 LEU HD13 H 1 0.882 0.030 . 1 . . . . 12 LEU HD1 . 10214 1
72 . 1 1 12 12 LEU CD2 C 13 23.342 0.300 . 2 . . . . 12 LEU CD2 . 10214 1
73 . 1 1 12 12 LEU HD21 H 1 0.829 0.030 . 1 . . . . 12 LEU HD2 . 10214 1
74 . 1 1 12 12 LEU HD22 H 1 0.829 0.030 . 1 . . . . 12 LEU HD2 . 10214 1
75 . 1 1 12 12 LEU HD23 H 1 0.829 0.030 . 1 . . . . 12 LEU HD2 . 10214 1
76 . 1 1 12 12 LEU C C 13 176.945 0.300 . 1 . . . . 12 LEU C . 10214 1
77 . 1 1 13 13 GLU N N 15 122.146 0.300 . 1 . . . . 13 GLU N . 10214 1
78 . 1 1 13 13 GLU H H 1 8.088 0.030 . 1 . . . . 13 GLU H . 10214 1
79 . 1 1 13 13 GLU CA C 13 56.222 0.300 . 1 . . . . 13 GLU CA . 10214 1
80 . 1 1 13 13 GLU HA H 1 4.236 0.030 . 1 . . . . 13 GLU HA . 10214 1
81 . 1 1 13 13 GLU CB C 13 30.332 0.300 . 1 . . . . 13 GLU CB . 10214 1
82 . 1 1 13 13 GLU HB2 H 1 1.914 0.030 . 2 . . . . 13 GLU HB2 . 10214 1
83 . 1 1 13 13 GLU HB3 H 1 1.988 0.030 . 2 . . . . 13 GLU HB3 . 10214 1
84 . 1 1 13 13 GLU CG C 13 36.274 0.300 . 1 . . . . 13 GLU CG . 10214 1
85 . 1 1 13 13 GLU HG2 H 1 2.280 0.030 . 2 . . . . 13 GLU HG2 . 10214 1
86 . 1 1 13 13 GLU C C 13 175.667 0.300 . 1 . . . . 13 GLU C . 10214 1
87 . 1 1 14 14 LEU N N 15 123.302 0.300 . 1 . . . . 14 LEU N . 10214 1
88 . 1 1 14 14 LEU H H 1 8.331 0.030 . 1 . . . . 14 LEU H . 10214 1
89 . 1 1 14 14 LEU CA C 13 52.689 0.300 . 1 . . . . 14 LEU CA . 10214 1
90 . 1 1 14 14 LEU HA H 1 4.376 0.030 . 1 . . . . 14 LEU HA . 10214 1
91 . 1 1 14 14 LEU CB C 13 41.859 0.300 . 1 . . . . 14 LEU CB . 10214 1
92 . 1 1 14 14 LEU HB2 H 1 1.759 0.030 . 2 . . . . 14 LEU HB2 . 10214 1
93 . 1 1 14 14 LEU HB3 H 1 1.404 0.030 . 2 . . . . 14 LEU HB3 . 10214 1
94 . 1 1 14 14 LEU CG C 13 26.920 0.300 . 1 . . . . 14 LEU CG . 10214 1
95 . 1 1 14 14 LEU HG H 1 1.846 0.030 . 1 . . . . 14 LEU HG . 10214 1
96 . 1 1 14 14 LEU CD1 C 13 26.515 0.300 . 2 . . . . 14 LEU CD1 . 10214 1
97 . 1 1 14 14 LEU HD11 H 1 1.054 0.030 . 1 . . . . 14 LEU HD1 . 10214 1
98 . 1 1 14 14 LEU HD12 H 1 1.054 0.030 . 1 . . . . 14 LEU HD1 . 10214 1
99 . 1 1 14 14 LEU HD13 H 1 1.054 0.030 . 1 . . . . 14 LEU HD1 . 10214 1
100 . 1 1 14 14 LEU CD2 C 13 23.820 0.300 . 2 . . . . 14 LEU CD2 . 10214 1
101 . 1 1 14 14 LEU HD21 H 1 0.812 0.030 . 1 . . . . 14 LEU HD2 . 10214 1
102 . 1 1 14 14 LEU HD22 H 1 0.812 0.030 . 1 . . . . 14 LEU HD2 . 10214 1
103 . 1 1 14 14 LEU HD23 H 1 0.812 0.030 . 1 . . . . 14 LEU HD2 . 10214 1
104 . 1 1 14 14 LEU C C 13 174.694 0.300 . 1 . . . . 14 LEU C . 10214 1
105 . 1 1 15 15 PRO CA C 13 61.808 0.300 . 1 . . . . 15 PRO CA . 10214 1
106 . 1 1 15 15 PRO HA H 1 4.509 0.030 . 1 . . . . 15 PRO HA . 10214 1
107 . 1 1 15 15 PRO CB C 13 31.501 0.300 . 1 . . . . 15 PRO CB . 10214 1
108 . 1 1 15 15 PRO HB2 H 1 2.424 0.030 . 2 . . . . 15 PRO HB2 . 10214 1
109 . 1 1 15 15 PRO HB3 H 1 1.967 0.030 . 2 . . . . 15 PRO HB3 . 10214 1
110 . 1 1 15 15 PRO CG C 13 27.108 0.300 . 1 . . . . 15 PRO CG . 10214 1
111 . 1 1 15 15 PRO HG2 H 1 1.737 0.030 . 2 . . . . 15 PRO HG2 . 10214 1
112 . 1 1 15 15 PRO HG3 H 1 1.537 0.030 . 2 . . . . 15 PRO HG3 . 10214 1
113 . 1 1 15 15 PRO CD C 13 50.151 0.300 . 1 . . . . 15 PRO CD . 10214 1
114 . 1 1 15 15 PRO HD2 H 1 2.876 0.030 . 2 . . . . 15 PRO HD2 . 10214 1
115 . 1 1 15 15 PRO HD3 H 1 3.480 0.030 . 2 . . . . 15 PRO HD3 . 10214 1
116 . 1 1 15 15 PRO C C 13 175.733 0.300 . 1 . . . . 15 PRO C . 10214 1
117 . 1 1 16 16 ALA N N 15 123.226 0.300 . 1 . . . . 16 ALA N . 10214 1
118 . 1 1 16 16 ALA H H 1 8.427 0.030 . 1 . . . . 16 ALA H . 10214 1
119 . 1 1 16 16 ALA CA C 13 53.836 0.300 . 1 . . . . 16 ALA CA . 10214 1
120 . 1 1 16 16 ALA HA H 1 4.235 0.030 . 1 . . . . 16 ALA HA . 10214 1
121 . 1 1 16 16 ALA CB C 13 18.391 0.300 . 1 . . . . 16 ALA CB . 10214 1
122 . 1 1 16 16 ALA HB1 H 1 1.425 0.030 . 1 . . . . 16 ALA HB . 10214 1
123 . 1 1 16 16 ALA HB2 H 1 1.425 0.030 . 1 . . . . 16 ALA HB . 10214 1
124 . 1 1 16 16 ALA HB3 H 1 1.425 0.030 . 1 . . . . 16 ALA HB . 10214 1
125 . 1 1 16 16 ALA C C 13 178.641 0.300 . 1 . . . . 16 ALA C . 10214 1
126 . 1 1 17 17 GLY N N 15 110.263 0.300 . 1 . . . . 17 GLY N . 10214 1
127 . 1 1 17 17 GLY H H 1 8.816 0.030 . 1 . . . . 17 GLY H . 10214 1
128 . 1 1 17 17 GLY CA C 13 45.465 0.300 . 1 . . . . 17 GLY CA . 10214 1
129 . 1 1 17 17 GLY HA2 H 1 3.759 0.030 . 2 . . . . 17 GLY HA2 . 10214 1
130 . 1 1 17 17 GLY HA3 H 1 4.261 0.030 . 2 . . . . 17 GLY HA3 . 10214 1
131 . 1 1 17 17 GLY C C 13 173.251 0.300 . 1 . . . . 17 GLY C . 10214 1
132 . 1 1 18 18 TRP N N 15 118.263 0.300 . 1 . . . . 18 TRP N . 10214 1
133 . 1 1 18 18 TRP H H 1 7.782 0.030 . 1 . . . . 18 TRP H . 10214 1
134 . 1 1 18 18 TRP CA C 13 56.679 0.300 . 1 . . . . 18 TRP CA . 10214 1
135 . 1 1 18 18 TRP HA H 1 5.840 0.030 . 1 . . . . 18 TRP HA . 10214 1
136 . 1 1 18 18 TRP CB C 13 32.215 0.300 . 1 . . . . 18 TRP CB . 10214 1
137 . 1 1 18 18 TRP HB2 H 1 3.311 0.030 . 2 . . . . 18 TRP HB2 . 10214 1
138 . 1 1 18 18 TRP HB3 H 1 3.028 0.030 . 2 . . . . 18 TRP HB3 . 10214 1
139 . 1 1 18 18 TRP CD1 C 13 127.127 0.300 . 1 . . . . 18 TRP CD1 . 10214 1
140 . 1 1 18 18 TRP HD1 H 1 7.084 0.030 . 1 . . . . 18 TRP HD1 . 10214 1
141 . 1 1 18 18 TRP NE1 N 15 129.574 0.300 . 1 . . . . 18 TRP NE1 . 10214 1
142 . 1 1 18 18 TRP HE1 H 1 10.042 0.030 . 1 . . . . 18 TRP HE1 . 10214 1
143 . 1 1 18 18 TRP CE3 C 13 119.926 0.300 . 1 . . . . 18 TRP CE3 . 10214 1
144 . 1 1 18 18 TRP HE3 H 1 7.343 0.030 . 1 . . . . 18 TRP HE3 . 10214 1
145 . 1 1 18 18 TRP CZ2 C 13 115.265 0.300 . 1 . . . . 18 TRP CZ2 . 10214 1
146 . 1 1 18 18 TRP HZ2 H 1 7.457 0.030 . 1 . . . . 18 TRP HZ2 . 10214 1
147 . 1 1 18 18 TRP CZ3 C 13 121.285 0.300 . 1 . . . . 18 TRP CZ3 . 10214 1
148 . 1 1 18 18 TRP HZ3 H 1 6.775 0.030 . 1 . . . . 18 TRP HZ3 . 10214 1
149 . 1 1 18 18 TRP CH2 C 13 123.806 0.300 . 1 . . . . 18 TRP CH2 . 10214 1
150 . 1 1 18 18 TRP HH2 H 1 6.990 0.030 . 1 . . . . 18 TRP HH2 . 10214 1
151 . 1 1 18 18 TRP C C 13 177.038 0.300 . 1 . . . . 18 TRP C . 10214 1
152 . 1 1 19 19 GLU N N 15 122.023 0.300 . 1 . . . . 19 GLU N . 10214 1
153 . 1 1 19 19 GLU H H 1 9.480 0.030 . 1 . . . . 19 GLU H . 10214 1
154 . 1 1 19 19 GLU CA C 13 55.126 0.300 . 1 . . . . 19 GLU CA . 10214 1
155 . 1 1 19 19 GLU HA H 1 4.679 0.030 . 1 . . . . 19 GLU HA . 10214 1
156 . 1 1 19 19 GLU CB C 13 34.865 0.300 . 1 . . . . 19 GLU CB . 10214 1
157 . 1 1 19 19 GLU HB2 H 1 2.020 0.030 . 1 . . . . 19 GLU HB2 . 10214 1
158 . 1 1 19 19 GLU HB3 H 1 2.020 0.030 . 1 . . . . 19 GLU HB3 . 10214 1
159 . 1 1 19 19 GLU CG C 13 35.940 0.300 . 1 . . . . 19 GLU CG . 10214 1
160 . 1 1 19 19 GLU HG2 H 1 2.172 0.030 . 2 . . . . 19 GLU HG2 . 10214 1
161 . 1 1 19 19 GLU HG3 H 1 2.378 0.030 . 2 . . . . 19 GLU HG3 . 10214 1
162 . 1 1 19 19 GLU C C 13 173.752 0.300 . 1 . . . . 19 GLU C . 10214 1
163 . 1 1 20 20 LYS N N 15 127.008 0.300 . 1 . . . . 20 LYS N . 10214 1
164 . 1 1 20 20 LYS H H 1 8.848 0.030 . 1 . . . . 20 LYS H . 10214 1
165 . 1 1 20 20 LYS CA C 13 55.531 0.300 . 1 . . . . 20 LYS CA . 10214 1
166 . 1 1 20 20 LYS HA H 1 4.379 0.030 . 1 . . . . 20 LYS HA . 10214 1
167 . 1 1 20 20 LYS CB C 13 33.946 0.300 . 1 . . . . 20 LYS CB . 10214 1
168 . 1 1 20 20 LYS HB2 H 1 1.615 0.030 . 2 . . . . 20 LYS HB2 . 10214 1
169 . 1 1 20 20 LYS HB3 H 1 1.830 0.030 . 2 . . . . 20 LYS HB3 . 10214 1
170 . 1 1 20 20 LYS CG C 13 24.640 0.300 . 1 . . . . 20 LYS CG . 10214 1
171 . 1 1 20 20 LYS HG2 H 1 0.822 0.030 . 2 . . . . 20 LYS HG2 . 10214 1
172 . 1 1 20 20 LYS HG3 H 1 0.845 0.030 . 2 . . . . 20 LYS HG3 . 10214 1
173 . 1 1 20 20 LYS CD C 13 29.668 0.300 . 1 . . . . 20 LYS CD . 10214 1
174 . 1 1 20 20 LYS HD2 H 1 1.648 0.030 . 2 . . . . 20 LYS HD2 . 10214 1
175 . 1 1 20 20 LYS HD3 H 1 1.712 0.030 . 2 . . . . 20 LYS HD3 . 10214 1
176 . 1 1 20 20 LYS CE C 13 41.898 0.300 . 1 . . . . 20 LYS CE . 10214 1
177 . 1 1 20 20 LYS HE2 H 1 2.892 0.030 . 2 . . . . 20 LYS HE2 . 10214 1
178 . 1 1 20 20 LYS C C 13 174.530 0.300 . 1 . . . . 20 LYS C . 10214 1
179 . 1 1 21 21 ILE N N 15 130.740 0.300 . 1 . . . . 21 ILE N . 10214 1
180 . 1 1 21 21 ILE H H 1 8.894 0.030 . 1 . . . . 21 ILE H . 10214 1
181 . 1 1 21 21 ILE CA C 13 58.996 0.300 . 1 . . . . 21 ILE CA . 10214 1
182 . 1 1 21 21 ILE HA H 1 4.035 0.030 . 1 . . . . 21 ILE HA . 10214 1
183 . 1 1 21 21 ILE CB C 13 38.249 0.300 . 1 . . . . 21 ILE CB . 10214 1
184 . 1 1 21 21 ILE HB H 1 0.582 0.030 . 1 . . . . 21 ILE HB . 10214 1
185 . 1 1 21 21 ILE CG1 C 13 27.456 0.300 . 1 . . . . 21 ILE CG1 . 10214 1
186 . 1 1 21 21 ILE HG12 H 1 0.965 0.030 . 1 . . . . 21 ILE HG12 . 10214 1
187 . 1 1 21 21 ILE HG13 H 1 0.965 0.030 . 1 . . . . 21 ILE HG13 . 10214 1
188 . 1 1 21 21 ILE CG2 C 13 17.591 0.300 . 1 . . . . 21 ILE CG2 . 10214 1
189 . 1 1 21 21 ILE HG21 H 1 0.626 0.030 . 1 . . . . 21 ILE HG2 . 10214 1
190 . 1 1 21 21 ILE HG22 H 1 0.626 0.030 . 1 . . . . 21 ILE HG2 . 10214 1
191 . 1 1 21 21 ILE HG23 H 1 0.626 0.030 . 1 . . . . 21 ILE HG2 . 10214 1
192 . 1 1 21 21 ILE CD1 C 13 11.153 0.300 . 1 . . . . 21 ILE CD1 . 10214 1
193 . 1 1 21 21 ILE HD11 H 1 0.586 0.030 . 1 . . . . 21 ILE HD1 . 10214 1
194 . 1 1 21 21 ILE HD12 H 1 0.586 0.030 . 1 . . . . 21 ILE HD1 . 10214 1
195 . 1 1 21 21 ILE HD13 H 1 0.586 0.030 . 1 . . . . 21 ILE HD1 . 10214 1
196 . 1 1 21 21 ILE C C 13 173.612 0.300 . 1 . . . . 21 ILE C . 10214 1
197 . 1 1 22 22 GLU N N 15 124.546 0.300 . 1 . . . . 22 GLU N . 10214 1
198 . 1 1 22 22 GLU H H 1 8.273 0.030 . 1 . . . . 22 GLU H . 10214 1
199 . 1 1 22 22 GLU CA C 13 54.652 0.300 . 1 . . . . 22 GLU CA . 10214 1
200 . 1 1 22 22 GLU HA H 1 4.429 0.030 . 1 . . . . 22 GLU HA . 10214 1
201 . 1 1 22 22 GLU CB C 13 29.876 0.300 . 1 . . . . 22 GLU CB . 10214 1
202 . 1 1 22 22 GLU HB2 H 1 1.881 0.030 . 2 . . . . 22 GLU HB2 . 10214 1
203 . 1 1 22 22 GLU HB3 H 1 1.747 0.030 . 2 . . . . 22 GLU HB3 . 10214 1
204 . 1 1 22 22 GLU CG C 13 36.326 0.300 . 1 . . . . 22 GLU CG . 10214 1
205 . 1 1 22 22 GLU HG2 H 1 1.991 0.030 . 2 . . . . 22 GLU HG2 . 10214 1
206 . 1 1 22 22 GLU HG3 H 1 1.952 0.030 . 2 . . . . 22 GLU HG3 . 10214 1
207 . 1 1 22 22 GLU C C 13 174.548 0.300 . 1 . . . . 22 GLU C . 10214 1
208 . 1 1 23 23 ASP N N 15 128.325 0.300 . 1 . . . . 23 ASP N . 10214 1
209 . 1 1 23 23 ASP H H 1 8.368 0.030 . 1 . . . . 23 ASP H . 10214 1
210 . 1 1 23 23 ASP CA C 13 51.555 0.300 . 1 . . . . 23 ASP CA . 10214 1
211 . 1 1 23 23 ASP HA H 1 5.093 0.030 . 1 . . . . 23 ASP HA . 10214 1
212 . 1 1 23 23 ASP CB C 13 45.902 0.300 . 1 . . . . 23 ASP CB . 10214 1
213 . 1 1 23 23 ASP HB2 H 1 3.179 0.030 . 2 . . . . 23 ASP HB2 . 10214 1
214 . 1 1 23 23 ASP HB3 H 1 2.715 0.030 . 2 . . . . 23 ASP HB3 . 10214 1
215 . 1 1 23 23 ASP C C 13 175.729 0.300 . 1 . . . . 23 ASP C . 10214 1
216 . 1 1 24 24 PRO CA C 13 64.824 0.300 . 1 . . . . 24 PRO CA . 10214 1
217 . 1 1 24 24 PRO HA H 1 4.356 0.030 . 1 . . . . 24 PRO HA . 10214 1
218 . 1 1 24 24 PRO CB C 13 32.297 0.300 . 1 . . . . 24 PRO CB . 10214 1
219 . 1 1 24 24 PRO HB2 H 1 1.936 0.030 . 2 . . . . 24 PRO HB2 . 10214 1
220 . 1 1 24 24 PRO HB3 H 1 2.352 0.030 . 2 . . . . 24 PRO HB3 . 10214 1
221 . 1 1 24 24 PRO CG C 13 27.368 0.300 . 1 . . . . 24 PRO CG . 10214 1
222 . 1 1 24 24 PRO HG2 H 1 2.063 0.030 . 2 . . . . 24 PRO HG2 . 10214 1
223 . 1 1 24 24 PRO HG3 H 1 1.981 0.030 . 2 . . . . 24 PRO HG3 . 10214 1
224 . 1 1 24 24 PRO CD C 13 51.156 0.300 . 1 . . . . 24 PRO CD . 10214 1
225 . 1 1 24 24 PRO HD2 H 1 3.769 0.030 . 2 . . . . 24 PRO HD2 . 10214 1
226 . 1 1 24 24 PRO HD3 H 1 3.841 0.030 . 2 . . . . 24 PRO HD3 . 10214 1
227 . 1 1 24 24 PRO C C 13 176.540 0.300 . 1 . . . . 24 PRO C . 10214 1
228 . 1 1 25 25 VAL N N 15 118.640 0.300 . 1 . . . . 25 VAL N . 10214 1
229 . 1 1 25 25 VAL H H 1 8.485 0.030 . 1 . . . . 25 VAL H . 10214 1
230 . 1 1 25 25 VAL CA C 13 64.125 0.300 . 1 . . . . 25 VAL CA . 10214 1
231 . 1 1 25 25 VAL HA H 1 3.856 0.030 . 1 . . . . 25 VAL HA . 10214 1
232 . 1 1 25 25 VAL CB C 13 33.098 0.300 . 1 . . . . 25 VAL CB . 10214 1
233 . 1 1 25 25 VAL HB H 1 1.631 0.030 . 1 . . . . 25 VAL HB . 10214 1
234 . 1 1 25 25 VAL CG1 C 13 20.272 0.300 . 2 . . . . 25 VAL CG1 . 10214 1
235 . 1 1 25 25 VAL HG11 H 1 0.252 0.030 . 1 . . . . 25 VAL HG1 . 10214 1
236 . 1 1 25 25 VAL HG12 H 1 0.252 0.030 . 1 . . . . 25 VAL HG1 . 10214 1
237 . 1 1 25 25 VAL HG13 H 1 0.252 0.030 . 1 . . . . 25 VAL HG1 . 10214 1
238 . 1 1 25 25 VAL CG2 C 13 21.657 0.300 . 2 . . . . 25 VAL CG2 . 10214 1
239 . 1 1 25 25 VAL HG21 H 1 0.752 0.030 . 1 . . . . 25 VAL HG2 . 10214 1
240 . 1 1 25 25 VAL HG22 H 1 0.752 0.030 . 1 . . . . 25 VAL HG2 . 10214 1
241 . 1 1 25 25 VAL HG23 H 1 0.752 0.030 . 1 . . . . 25 VAL HG2 . 10214 1
242 . 1 1 25 25 VAL C C 13 177.626 0.300 . 1 . . . . 25 VAL C . 10214 1
243 . 1 1 26 26 TYR N N 15 117.602 0.300 . 1 . . . . 26 TYR N . 10214 1
244 . 1 1 26 26 TYR H H 1 8.632 0.030 . 1 . . . . 26 TYR H . 10214 1
245 . 1 1 26 26 TYR CA C 13 59.189 0.300 . 1 . . . . 26 TYR CA . 10214 1
246 . 1 1 26 26 TYR HA H 1 4.469 0.030 . 1 . . . . 26 TYR HA . 10214 1
247 . 1 1 26 26 TYR CB C 13 39.193 0.300 . 1 . . . . 26 TYR CB . 10214 1
248 . 1 1 26 26 TYR HB2 H 1 3.368 0.030 . 2 . . . . 26 TYR HB2 . 10214 1
249 . 1 1 26 26 TYR HB3 H 1 2.550 0.030 . 2 . . . . 26 TYR HB3 . 10214 1
250 . 1 1 26 26 TYR CD1 C 13 132.924 0.300 . 1 . . . . 26 TYR CD1 . 10214 1
251 . 1 1 26 26 TYR HD1 H 1 7.160 0.030 . 1 . . . . 26 TYR HD1 . 10214 1
252 . 1 1 26 26 TYR CD2 C 13 132.924 0.300 . 1 . . . . 26 TYR CD2 . 10214 1
253 . 1 1 26 26 TYR HD2 H 1 7.160 0.030 . 1 . . . . 26 TYR HD2 . 10214 1
254 . 1 1 26 26 TYR CE1 C 13 118.248 0.300 . 1 . . . . 26 TYR CE1 . 10214 1
255 . 1 1 26 26 TYR HE1 H 1 6.766 0.030 . 1 . . . . 26 TYR HE1 . 10214 1
256 . 1 1 26 26 TYR CE2 C 13 118.248 0.300 . 1 . . . . 26 TYR CE2 . 10214 1
257 . 1 1 26 26 TYR HE2 H 1 6.766 0.030 . 1 . . . . 26 TYR HE2 . 10214 1
258 . 1 1 26 26 TYR C C 13 176.124 0.300 . 1 . . . . 26 TYR C . 10214 1
259 . 1 1 27 27 GLY N N 15 110.042 0.300 . 1 . . . . 27 GLY N . 10214 1
260 . 1 1 27 27 GLY H H 1 8.181 0.030 . 1 . . . . 27 GLY H . 10214 1
261 . 1 1 27 27 GLY CA C 13 44.979 0.300 . 1 . . . . 27 GLY CA . 10214 1
262 . 1 1 27 27 GLY HA2 H 1 3.890 0.030 . 2 . . . . 27 GLY HA2 . 10214 1
263 . 1 1 27 27 GLY HA3 H 1 4.390 0.030 . 2 . . . . 27 GLY HA3 . 10214 1
264 . 1 1 27 27 GLY C C 13 173.043 0.300 . 1 . . . . 27 GLY C . 10214 1
265 . 1 1 28 28 ILE N N 15 121.278 0.300 . 1 . . . . 28 ILE N . 10214 1
266 . 1 1 28 28 ILE H H 1 8.259 0.030 . 1 . . . . 28 ILE H . 10214 1
267 . 1 1 28 28 ILE CA C 13 60.867 0.300 . 1 . . . . 28 ILE CA . 10214 1
268 . 1 1 28 28 ILE HA H 1 4.900 0.030 . 1 . . . . 28 ILE HA . 10214 1
269 . 1 1 28 28 ILE CB C 13 38.763 0.300 . 1 . . . . 28 ILE CB . 10214 1
270 . 1 1 28 28 ILE HB H 1 1.716 0.030 . 1 . . . . 28 ILE HB . 10214 1
271 . 1 1 28 28 ILE CG1 C 13 28.873 0.300 . 1 . . . . 28 ILE CG1 . 10214 1
272 . 1 1 28 28 ILE HG12 H 1 0.963 0.030 . 2 . . . . 28 ILE HG12 . 10214 1
273 . 1 1 28 28 ILE HG13 H 1 1.710 0.030 . 2 . . . . 28 ILE HG13 . 10214 1
274 . 1 1 28 28 ILE CG2 C 13 17.816 0.300 . 1 . . . . 28 ILE CG2 . 10214 1
275 . 1 1 28 28 ILE HG21 H 1 0.639 0.030 . 1 . . . . 28 ILE HG2 . 10214 1
276 . 1 1 28 28 ILE HG22 H 1 0.639 0.030 . 1 . . . . 28 ILE HG2 . 10214 1
277 . 1 1 28 28 ILE HG23 H 1 0.639 0.030 . 1 . . . . 28 ILE HG2 . 10214 1
278 . 1 1 28 28 ILE CD1 C 13 13.589 0.300 . 1 . . . . 28 ILE CD1 . 10214 1
279 . 1 1 28 28 ILE HD11 H 1 0.885 0.030 . 1 . . . . 28 ILE HD1 . 10214 1
280 . 1 1 28 28 ILE HD12 H 1 0.885 0.030 . 1 . . . . 28 ILE HD1 . 10214 1
281 . 1 1 28 28 ILE HD13 H 1 0.885 0.030 . 1 . . . . 28 ILE HD1 . 10214 1
282 . 1 1 28 28 ILE C C 13 176.805 0.300 . 1 . . . . 28 ILE C . 10214 1
283 . 1 1 29 29 TYR N N 15 124.534 0.300 . 1 . . . . 29 TYR N . 10214 1
284 . 1 1 29 29 TYR H H 1 8.822 0.030 . 1 . . . . 29 TYR H . 10214 1
285 . 1 1 29 29 TYR CA C 13 56.332 0.300 . 1 . . . . 29 TYR CA . 10214 1
286 . 1 1 29 29 TYR HA H 1 4.712 0.030 . 1 . . . . 29 TYR HA . 10214 1
287 . 1 1 29 29 TYR CB C 13 38.879 0.300 . 1 . . . . 29 TYR CB . 10214 1
288 . 1 1 29 29 TYR HB2 H 1 2.822 0.030 . 2 . . . . 29 TYR HB2 . 10214 1
289 . 1 1 29 29 TYR HB3 H 1 2.578 0.030 . 2 . . . . 29 TYR HB3 . 10214 1
290 . 1 1 29 29 TYR CD1 C 13 133.804 0.300 . 1 . . . . 29 TYR CD1 . 10214 1
291 . 1 1 29 29 TYR HD1 H 1 6.795 0.030 . 1 . . . . 29 TYR HD1 . 10214 1
292 . 1 1 29 29 TYR CD2 C 13 133.804 0.300 . 1 . . . . 29 TYR CD2 . 10214 1
293 . 1 1 29 29 TYR HD2 H 1 6.795 0.030 . 1 . . . . 29 TYR HD2 . 10214 1
294 . 1 1 29 29 TYR CE1 C 13 117.553 0.300 . 1 . . . . 29 TYR CE1 . 10214 1
295 . 1 1 29 29 TYR HE1 H 1 6.503 0.030 . 1 . . . . 29 TYR HE1 . 10214 1
296 . 1 1 29 29 TYR CE2 C 13 117.553 0.300 . 1 . . . . 29 TYR CE2 . 10214 1
297 . 1 1 29 29 TYR HE2 H 1 6.503 0.030 . 1 . . . . 29 TYR HE2 . 10214 1
298 . 1 1 29 29 TYR C C 13 170.710 0.300 . 1 . . . . 29 TYR C . 10214 1
299 . 1 1 30 30 TYR N N 15 116.432 0.300 . 1 . . . . 30 TYR N . 10214 1
300 . 1 1 30 30 TYR H H 1 8.981 0.030 . 1 . . . . 30 TYR H . 10214 1
301 . 1 1 30 30 TYR CA C 13 56.921 0.300 . 1 . . . . 30 TYR CA . 10214 1
302 . 1 1 30 30 TYR HA H 1 5.417 0.030 . 1 . . . . 30 TYR HA . 10214 1
303 . 1 1 30 30 TYR CB C 13 41.603 0.300 . 1 . . . . 30 TYR CB . 10214 1
304 . 1 1 30 30 TYR HB2 H 1 3.108 0.030 . 2 . . . . 30 TYR HB2 . 10214 1
305 . 1 1 30 30 TYR HB3 H 1 2.898 0.030 . 2 . . . . 30 TYR HB3 . 10214 1
306 . 1 1 30 30 TYR CD1 C 13 133.493 0.300 . 1 . . . . 30 TYR CD1 . 10214 1
307 . 1 1 30 30 TYR HD1 H 1 6.884 0.030 . 1 . . . . 30 TYR HD1 . 10214 1
308 . 1 1 30 30 TYR CD2 C 13 133.493 0.300 . 1 . . . . 30 TYR CD2 . 10214 1
309 . 1 1 30 30 TYR HD2 H 1 6.884 0.030 . 1 . . . . 30 TYR HD2 . 10214 1
310 . 1 1 30 30 TYR CE1 C 13 117.357 0.300 . 1 . . . . 30 TYR CE1 . 10214 1
311 . 1 1 30 30 TYR HE1 H 1 6.777 0.030 . 1 . . . . 30 TYR HE1 . 10214 1
312 . 1 1 30 30 TYR CE2 C 13 117.357 0.300 . 1 . . . . 30 TYR CE2 . 10214 1
313 . 1 1 30 30 TYR HE2 H 1 6.777 0.030 . 1 . . . . 30 TYR HE2 . 10214 1
314 . 1 1 30 30 TYR C C 13 174.825 0.300 . 1 . . . . 30 TYR C . 10214 1
315 . 1 1 31 31 VAL N N 15 121.385 0.300 . 1 . . . . 31 VAL N . 10214 1
316 . 1 1 31 31 VAL H H 1 9.266 0.030 . 1 . . . . 31 VAL H . 10214 1
317 . 1 1 31 31 VAL CA C 13 60.346 0.300 . 1 . . . . 31 VAL CA . 10214 1
318 . 1 1 31 31 VAL HA H 1 4.610 0.030 . 1 . . . . 31 VAL HA . 10214 1
319 . 1 1 31 31 VAL CB C 13 35.393 0.300 . 1 . . . . 31 VAL CB . 10214 1
320 . 1 1 31 31 VAL HB H 1 1.663 0.030 . 1 . . . . 31 VAL HB . 10214 1
321 . 1 1 31 31 VAL CG1 C 13 21.608 0.300 . 2 . . . . 31 VAL CG1 . 10214 1
322 . 1 1 31 31 VAL HG11 H 1 0.801 0.030 . 1 . . . . 31 VAL HG1 . 10214 1
323 . 1 1 31 31 VAL HG12 H 1 0.801 0.030 . 1 . . . . 31 VAL HG1 . 10214 1
324 . 1 1 31 31 VAL HG13 H 1 0.801 0.030 . 1 . . . . 31 VAL HG1 . 10214 1
325 . 1 1 31 31 VAL CG2 C 13 19.941 0.300 . 2 . . . . 31 VAL CG2 . 10214 1
326 . 1 1 31 31 VAL HG21 H 1 0.392 0.030 . 1 . . . . 31 VAL HG2 . 10214 1
327 . 1 1 31 31 VAL HG22 H 1 0.392 0.030 . 1 . . . . 31 VAL HG2 . 10214 1
328 . 1 1 31 31 VAL HG23 H 1 0.392 0.030 . 1 . . . . 31 VAL HG2 . 10214 1
329 . 1 1 31 31 VAL C C 13 173.103 0.300 . 1 . . . . 31 VAL C . 10214 1
330 . 1 1 32 32 ASP N N 15 126.129 0.300 . 1 . . . . 32 ASP N . 10214 1
331 . 1 1 32 32 ASP H H 1 8.340 0.030 . 1 . . . . 32 ASP H . 10214 1
332 . 1 1 32 32 ASP CA C 13 51.134 0.300 . 1 . . . . 32 ASP CA . 10214 1
333 . 1 1 32 32 ASP HA H 1 3.702 0.030 . 1 . . . . 32 ASP HA . 10214 1
334 . 1 1 32 32 ASP CB C 13 39.252 0.300 . 1 . . . . 32 ASP CB . 10214 1
335 . 1 1 32 32 ASP HB2 H 1 1.895 0.030 . 2 . . . . 32 ASP HB2 . 10214 1
336 . 1 1 32 32 ASP HB3 H 1 0.091 0.030 . 2 . . . . 32 ASP HB3 . 10214 1
337 . 1 1 32 32 ASP C C 13 177.731 0.300 . 1 . . . . 32 ASP C . 10214 1
338 . 1 1 33 33 HIS N N 15 121.984 0.300 . 1 . . . . 33 HIS N . 10214 1
339 . 1 1 33 33 HIS H H 1 8.728 0.030 . 1 . . . . 33 HIS H . 10214 1
340 . 1 1 33 33 HIS CA C 13 58.404 0.300 . 1 . . . . 33 HIS CA . 10214 1
341 . 1 1 33 33 HIS HA H 1 4.218 0.030 . 1 . . . . 33 HIS HA . 10214 1
342 . 1 1 33 33 HIS CB C 13 30.594 0.300 . 1 . . . . 33 HIS CB . 10214 1
343 . 1 1 33 33 HIS HB2 H 1 3.124 0.030 . 2 . . . . 33 HIS HB2 . 10214 1
344 . 1 1 33 33 HIS HB3 H 1 3.056 0.030 . 2 . . . . 33 HIS HB3 . 10214 1
345 . 1 1 33 33 HIS CD2 C 13 118.901 0.300 . 1 . . . . 33 HIS CD2 . 10214 1
346 . 1 1 33 33 HIS HD2 H 1 6.958 0.030 . 1 . . . . 33 HIS HD2 . 10214 1
347 . 1 1 33 33 HIS CE1 C 13 138.430 0.300 . 1 . . . . 33 HIS CE1 . 10214 1
348 . 1 1 33 33 HIS HE1 H 1 7.908 0.030 . 1 . . . . 33 HIS HE1 . 10214 1
349 . 1 1 33 33 HIS C C 13 176.844 0.300 . 1 . . . . 33 HIS C . 10214 1
350 . 1 1 34 34 ILE N N 15 120.023 0.300 . 1 . . . . 34 ILE N . 10214 1
351 . 1 1 34 34 ILE H H 1 8.090 0.030 . 1 . . . . 34 ILE H . 10214 1
352 . 1 1 34 34 ILE CA C 13 63.382 0.300 . 1 . . . . 34 ILE CA . 10214 1
353 . 1 1 34 34 ILE HA H 1 3.845 0.030 . 1 . . . . 34 ILE HA . 10214 1
354 . 1 1 34 34 ILE CB C 13 37.023 0.300 . 1 . . . . 34 ILE CB . 10214 1
355 . 1 1 34 34 ILE HB H 1 1.971 0.030 . 1 . . . . 34 ILE HB . 10214 1
356 . 1 1 34 34 ILE CG1 C 13 28.285 0.300 . 1 . . . . 34 ILE CG1 . 10214 1
357 . 1 1 34 34 ILE HG12 H 1 1.184 0.030 . 2 . . . . 34 ILE HG12 . 10214 1
358 . 1 1 34 34 ILE HG13 H 1 1.558 0.030 . 2 . . . . 34 ILE HG13 . 10214 1
359 . 1 1 34 34 ILE CG2 C 13 16.671 0.300 . 1 . . . . 34 ILE CG2 . 10214 1
360 . 1 1 34 34 ILE HG21 H 1 0.781 0.030 . 1 . . . . 34 ILE HG2 . 10214 1
361 . 1 1 34 34 ILE HG22 H 1 0.781 0.030 . 1 . . . . 34 ILE HG2 . 10214 1
362 . 1 1 34 34 ILE HG23 H 1 0.781 0.030 . 1 . . . . 34 ILE HG2 . 10214 1
363 . 1 1 34 34 ILE CD1 C 13 11.474 0.300 . 1 . . . . 34 ILE CD1 . 10214 1
364 . 1 1 34 34 ILE HD11 H 1 0.819 0.030 . 1 . . . . 34 ILE HD1 . 10214 1
365 . 1 1 34 34 ILE HD12 H 1 0.819 0.030 . 1 . . . . 34 ILE HD1 . 10214 1
366 . 1 1 34 34 ILE HD13 H 1 0.819 0.030 . 1 . . . . 34 ILE HD1 . 10214 1
367 . 1 1 34 34 ILE C C 13 177.464 0.300 . 1 . . . . 34 ILE C . 10214 1
368 . 1 1 35 35 ASN N N 15 115.543 0.300 . 1 . . . . 35 ASN N . 10214 1
369 . 1 1 35 35 ASN H H 1 7.620 0.030 . 1 . . . . 35 ASN H . 10214 1
370 . 1 1 35 35 ASN CA C 13 53.139 0.300 . 1 . . . . 35 ASN CA . 10214 1
371 . 1 1 35 35 ASN HA H 1 4.587 0.030 . 1 . . . . 35 ASN HA . 10214 1
372 . 1 1 35 35 ASN CB C 13 38.909 0.300 . 1 . . . . 35 ASN CB . 10214 1
373 . 1 1 35 35 ASN HB2 H 1 2.595 0.030 . 2 . . . . 35 ASN HB2 . 10214 1
374 . 1 1 35 35 ASN HB3 H 1 2.328 0.030 . 2 . . . . 35 ASN HB3 . 10214 1
375 . 1 1 35 35 ASN ND2 N 15 119.673 0.300 . 1 . . . . 35 ASN ND2 . 10214 1
376 . 1 1 35 35 ASN HD21 H 1 6.983 0.030 . 2 . . . . 35 ASN HD21 . 10214 1
377 . 1 1 35 35 ASN HD22 H 1 9.118 0.030 . 2 . . . . 35 ASN HD22 . 10214 1
378 . 1 1 35 35 ASN C C 13 173.887 0.300 . 1 . . . . 35 ASN C . 10214 1
379 . 1 1 36 36 ARG N N 15 117.698 0.300 . 1 . . . . 36 ARG N . 10214 1
380 . 1 1 36 36 ARG H H 1 7.596 0.030 . 1 . . . . 36 ARG H . 10214 1
381 . 1 1 36 36 ARG CA C 13 56.824 0.300 . 1 . . . . 36 ARG CA . 10214 1
382 . 1 1 36 36 ARG HA H 1 3.850 0.030 . 1 . . . . 36 ARG HA . 10214 1
383 . 1 1 36 36 ARG CB C 13 26.161 0.300 . 1 . . . . 36 ARG CB . 10214 1
384 . 1 1 36 36 ARG HB2 H 1 2.014 0.030 . 2 . . . . 36 ARG HB2 . 10214 1
385 . 1 1 36 36 ARG HB3 H 1 1.753 0.030 . 2 . . . . 36 ARG HB3 . 10214 1
386 . 1 1 36 36 ARG CG C 13 27.180 0.300 . 1 . . . . 36 ARG CG . 10214 1
387 . 1 1 36 36 ARG HG2 H 1 1.434 0.030 . 2 . . . . 36 ARG HG2 . 10214 1
388 . 1 1 36 36 ARG CD C 13 43.458 0.300 . 1 . . . . 36 ARG CD . 10214 1
389 . 1 1 36 36 ARG HD2 H 1 3.123 0.030 . 2 . . . . 36 ARG HD2 . 10214 1
390 . 1 1 36 36 ARG C C 13 174.732 0.300 . 1 . . . . 36 ARG C . 10214 1
391 . 1 1 37 37 LYS N N 15 117.773 0.300 . 1 . . . . 37 LYS N . 10214 1
392 . 1 1 37 37 LYS H H 1 7.471 0.030 . 1 . . . . 37 LYS H . 10214 1
393 . 1 1 37 37 LYS CA C 13 54.528 0.300 . 1 . . . . 37 LYS CA . 10214 1
394 . 1 1 37 37 LYS HA H 1 4.795 0.030 . 1 . . . . 37 LYS HA . 10214 1
395 . 1 1 37 37 LYS CB C 13 36.493 0.300 . 1 . . . . 37 LYS CB . 10214 1
396 . 1 1 37 37 LYS HB2 H 1 1.527 0.030 . 2 . . . . 37 LYS HB2 . 10214 1
397 . 1 1 37 37 LYS HB3 H 1 1.835 0.030 . 2 . . . . 37 LYS HB3 . 10214 1
398 . 1 1 37 37 LYS CG C 13 24.574 0.300 . 1 . . . . 37 LYS CG . 10214 1
399 . 1 1 37 37 LYS HG2 H 1 1.280 0.030 . 2 . . . . 37 LYS HG2 . 10214 1
400 . 1 1 37 37 LYS CD C 13 29.108 0.300 . 1 . . . . 37 LYS CD . 10214 1
401 . 1 1 37 37 LYS HD2 H 1 1.710 0.030 . 2 . . . . 37 LYS HD2 . 10214 1
402 . 1 1 37 37 LYS CE C 13 42.286 0.300 . 1 . . . . 37 LYS CE . 10214 1
403 . 1 1 37 37 LYS HE2 H 1 3.018 0.030 . 2 . . . . 37 LYS HE2 . 10214 1
404 . 1 1 37 37 LYS C C 13 174.870 0.300 . 1 . . . . 37 LYS C . 10214 1
405 . 1 1 38 38 THR N N 15 114.635 0.300 . 1 . . . . 38 THR N . 10214 1
406 . 1 1 38 38 THR H H 1 8.322 0.030 . 1 . . . . 38 THR H . 10214 1
407 . 1 1 38 38 THR CA C 13 60.506 0.300 . 1 . . . . 38 THR CA . 10214 1
408 . 1 1 38 38 THR HA H 1 5.390 0.030 . 1 . . . . 38 THR HA . 10214 1
409 . 1 1 38 38 THR CB C 13 71.424 0.300 . 1 . . . . 38 THR CB . 10214 1
410 . 1 1 38 38 THR HB H 1 3.942 0.030 . 1 . . . . 38 THR HB . 10214 1
411 . 1 1 38 38 THR CG2 C 13 22.169 0.300 . 1 . . . . 38 THR CG2 . 10214 1
412 . 1 1 38 38 THR HG21 H 1 1.015 0.030 . 1 . . . . 38 THR HG2 . 10214 1
413 . 1 1 38 38 THR HG22 H 1 1.015 0.030 . 1 . . . . 38 THR HG2 . 10214 1
414 . 1 1 38 38 THR HG23 H 1 1.015 0.030 . 1 . . . . 38 THR HG2 . 10214 1
415 . 1 1 38 38 THR C C 13 173.840 0.300 . 1 . . . . 38 THR C . 10214 1
416 . 1 1 39 39 GLN N N 15 117.672 0.300 . 1 . . . . 39 GLN N . 10214 1
417 . 1 1 39 39 GLN H H 1 9.335 0.030 . 1 . . . . 39 GLN H . 10214 1
418 . 1 1 39 39 GLN CA C 13 54.878 0.300 . 1 . . . . 39 GLN CA . 10214 1
419 . 1 1 39 39 GLN HA H 1 4.899 0.030 . 1 . . . . 39 GLN HA . 10214 1
420 . 1 1 39 39 GLN CB C 13 32.186 0.300 . 1 . . . . 39 GLN CB . 10214 1
421 . 1 1 39 39 GLN HB2 H 1 2.591 0.030 . 2 . . . . 39 GLN HB2 . 10214 1
422 . 1 1 39 39 GLN HB3 H 1 2.367 0.030 . 2 . . . . 39 GLN HB3 . 10214 1
423 . 1 1 39 39 GLN CG C 13 32.420 0.300 . 1 . . . . 39 GLN CG . 10214 1
424 . 1 1 39 39 GLN HG2 H 1 2.571 0.030 . 2 . . . . 39 GLN HG2 . 10214 1
425 . 1 1 39 39 GLN HG3 H 1 2.358 0.030 . 2 . . . . 39 GLN HG3 . 10214 1
426 . 1 1 39 39 GLN NE2 N 15 113.777 0.300 . 1 . . . . 39 GLN NE2 . 10214 1
427 . 1 1 39 39 GLN HE21 H 1 7.772 0.030 . 2 . . . . 39 GLN HE21 . 10214 1
428 . 1 1 39 39 GLN HE22 H 1 7.193 0.030 . 2 . . . . 39 GLN HE22 . 10214 1
429 . 1 1 39 39 GLN C C 13 174.549 0.300 . 1 . . . . 39 GLN C . 10214 1
430 . 1 1 40 40 TYR N N 15 119.391 0.300 . 1 . . . . 40 TYR N . 10214 1
431 . 1 1 40 40 TYR H H 1 8.858 0.030 . 1 . . . . 40 TYR H . 10214 1
432 . 1 1 40 40 TYR CA C 13 60.804 0.300 . 1 . . . . 40 TYR CA . 10214 1
433 . 1 1 40 40 TYR HA H 1 4.752 0.030 . 1 . . . . 40 TYR HA . 10214 1
434 . 1 1 40 40 TYR CB C 13 39.167 0.300 . 1 . . . . 40 TYR CB . 10214 1
435 . 1 1 40 40 TYR HB2 H 1 3.333 0.030 . 2 . . . . 40 TYR HB2 . 10214 1
436 . 1 1 40 40 TYR HB3 H 1 2.913 0.030 . 2 . . . . 40 TYR HB3 . 10214 1
437 . 1 1 40 40 TYR CD1 C 13 133.311 0.300 . 1 . . . . 40 TYR CD1 . 10214 1
438 . 1 1 40 40 TYR HD1 H 1 7.421 0.030 . 1 . . . . 40 TYR HD1 . 10214 1
439 . 1 1 40 40 TYR CD2 C 13 133.311 0.300 . 1 . . . . 40 TYR CD2 . 10214 1
440 . 1 1 40 40 TYR HD2 H 1 7.421 0.030 . 1 . . . . 40 TYR HD2 . 10214 1
441 . 1 1 40 40 TYR CE1 C 13 118.354 0.300 . 1 . . . . 40 TYR CE1 . 10214 1
442 . 1 1 40 40 TYR HE1 H 1 6.815 0.030 . 1 . . . . 40 TYR HE1 . 10214 1
443 . 1 1 40 40 TYR CE2 C 13 118.354 0.300 . 1 . . . . 40 TYR CE2 . 10214 1
444 . 1 1 40 40 TYR HE2 H 1 6.815 0.030 . 1 . . . . 40 TYR HE2 . 10214 1
445 . 1 1 40 40 TYR C C 13 176.295 0.300 . 1 . . . . 40 TYR C . 10214 1
446 . 1 1 41 41 GLU N N 15 119.491 0.300 . 1 . . . . 41 GLU N . 10214 1
447 . 1 1 41 41 GLU H H 1 8.079 0.030 . 1 . . . . 41 GLU H . 10214 1
448 . 1 1 41 41 GLU CA C 13 56.296 0.300 . 1 . . . . 41 GLU CA . 10214 1
449 . 1 1 41 41 GLU HA H 1 4.351 0.030 . 1 . . . . 41 GLU HA . 10214 1
450 . 1 1 41 41 GLU CB C 13 30.517 0.300 . 1 . . . . 41 GLU CB . 10214 1
451 . 1 1 41 41 GLU HB2 H 1 1.807 0.030 . 2 . . . . 41 GLU HB2 . 10214 1
452 . 1 1 41 41 GLU HB3 H 1 1.894 0.030 . 2 . . . . 41 GLU HB3 . 10214 1
453 . 1 1 41 41 GLU CG C 13 36.441 0.300 . 1 . . . . 41 GLU CG . 10214 1
454 . 1 1 41 41 GLU HG2 H 1 2.204 0.030 . 2 . . . . 41 GLU HG2 . 10214 1
455 . 1 1 41 41 GLU HG3 H 1 2.319 0.030 . 2 . . . . 41 GLU HG3 . 10214 1
456 . 1 1 41 41 GLU C C 13 175.460 0.300 . 1 . . . . 41 GLU C . 10214 1
457 . 1 1 42 42 ASN N N 15 125.050 0.300 . 1 . . . . 42 ASN N . 10214 1
458 . 1 1 42 42 ASN H H 1 8.720 0.030 . 1 . . . . 42 ASN H . 10214 1
459 . 1 1 42 42 ASN CA C 13 51.186 0.300 . 1 . . . . 42 ASN CA . 10214 1
460 . 1 1 42 42 ASN HA H 1 2.979 0.030 . 1 . . . . 42 ASN HA . 10214 1
461 . 1 1 42 42 ASN CB C 13 38.637 0.300 . 1 . . . . 42 ASN CB . 10214 1
462 . 1 1 42 42 ASN HB2 H 1 2.545 0.030 . 1 . . . . 42 ASN HB2 . 10214 1
463 . 1 1 42 42 ASN HB3 H 1 2.545 0.030 . 1 . . . . 42 ASN HB3 . 10214 1
464 . 1 1 42 42 ASN ND2 N 15 111.585 0.300 . 1 . . . . 42 ASN ND2 . 10214 1
465 . 1 1 42 42 ASN HD21 H 1 7.439 0.030 . 2 . . . . 42 ASN HD21 . 10214 1
466 . 1 1 42 42 ASN HD22 H 1 6.822 0.030 . 2 . . . . 42 ASN HD22 . 10214 1
467 . 1 1 42 42 ASN C C 13 174.950 0.300 . 1 . . . . 42 ASN C . 10214 1
468 . 1 1 43 43 PRO CA C 13 63.681 0.300 . 1 . . . . 43 PRO CA . 10214 1
469 . 1 1 43 43 PRO HA H 1 3.869 0.030 . 1 . . . . 43 PRO HA . 10214 1
470 . 1 1 43 43 PRO CB C 13 31.408 0.300 . 1 . . . . 43 PRO CB . 10214 1
471 . 1 1 43 43 PRO HB2 H 1 0.979 0.030 . 1 . . . . 43 PRO HB2 . 10214 1
472 . 1 1 43 43 PRO HB3 H 1 0.979 0.030 . 1 . . . . 43 PRO HB3 . 10214 1
473 . 1 1 43 43 PRO CG C 13 26.179 0.300 . 1 . . . . 43 PRO CG . 10214 1
474 . 1 1 43 43 PRO HG2 H 1 0.673 0.030 . 2 . . . . 43 PRO HG2 . 10214 1
475 . 1 1 43 43 PRO HG3 H 1 0.172 0.030 . 2 . . . . 43 PRO HG3 . 10214 1
476 . 1 1 43 43 PRO CD C 13 50.123 0.300 . 1 . . . . 43 PRO CD . 10214 1
477 . 1 1 43 43 PRO HD2 H 1 2.571 0.030 . 2 . . . . 43 PRO HD2 . 10214 1
478 . 1 1 43 43 PRO HD3 H 1 2.658 0.030 . 2 . . . . 43 PRO HD3 . 10214 1
479 . 1 1 43 43 PRO C C 13 178.273 0.300 . 1 . . . . 43 PRO C . 10214 1
480 . 1 1 44 44 VAL N N 15 119.901 0.300 . 1 . . . . 44 VAL N . 10214 1
481 . 1 1 44 44 VAL H H 1 7.968 0.030 . 1 . . . . 44 VAL H . 10214 1
482 . 1 1 44 44 VAL CA C 13 64.744 0.300 . 1 . . . . 44 VAL CA . 10214 1
483 . 1 1 44 44 VAL HA H 1 3.646 0.030 . 1 . . . . 44 VAL HA . 10214 1
484 . 1 1 44 44 VAL CB C 13 31.581 0.300 . 1 . . . . 44 VAL CB . 10214 1
485 . 1 1 44 44 VAL HB H 1 1.915 0.030 . 1 . . . . 44 VAL HB . 10214 1
486 . 1 1 44 44 VAL CG1 C 13 21.209 0.300 . 2 . . . . 44 VAL CG1 . 10214 1
487 . 1 1 44 44 VAL HG11 H 1 0.819 0.030 . 1 . . . . 44 VAL HG1 . 10214 1
488 . 1 1 44 44 VAL HG12 H 1 0.819 0.030 . 1 . . . . 44 VAL HG1 . 10214 1
489 . 1 1 44 44 VAL HG13 H 1 0.819 0.030 . 1 . . . . 44 VAL HG1 . 10214 1
490 . 1 1 44 44 VAL CG2 C 13 22.078 0.300 . 2 . . . . 44 VAL CG2 . 10214 1
491 . 1 1 44 44 VAL HG21 H 1 0.841 0.030 . 1 . . . . 44 VAL HG2 . 10214 1
492 . 1 1 44 44 VAL HG22 H 1 0.841 0.030 . 1 . . . . 44 VAL HG2 . 10214 1
493 . 1 1 44 44 VAL HG23 H 1 0.841 0.030 . 1 . . . . 44 VAL HG2 . 10214 1
494 . 1 1 44 44 VAL C C 13 177.625 0.300 . 1 . . . . 44 VAL C . 10214 1
495 . 1 1 45 45 LEU N N 15 120.711 0.300 . 1 . . . . 45 LEU N . 10214 1
496 . 1 1 45 45 LEU H H 1 7.076 0.030 . 1 . . . . 45 LEU H . 10214 1
497 . 1 1 45 45 LEU CA C 13 56.822 0.300 . 1 . . . . 45 LEU CA . 10214 1
498 . 1 1 45 45 LEU HA H 1 3.994 0.030 . 1 . . . . 45 LEU HA . 10214 1
499 . 1 1 45 45 LEU CB C 13 41.194 0.300 . 1 . . . . 45 LEU CB . 10214 1
500 . 1 1 45 45 LEU HB2 H 1 1.660 0.030 . 2 . . . . 45 LEU HB2 . 10214 1
501 . 1 1 45 45 LEU HB3 H 1 1.541 0.030 . 2 . . . . 45 LEU HB3 . 10214 1
502 . 1 1 45 45 LEU CG C 13 27.099 0.300 . 1 . . . . 45 LEU CG . 10214 1
503 . 1 1 45 45 LEU HG H 1 1.457 0.030 . 1 . . . . 45 LEU HG . 10214 1
504 . 1 1 45 45 LEU CD1 C 13 24.856 0.300 . 2 . . . . 45 LEU CD1 . 10214 1
505 . 1 1 45 45 LEU HD11 H 1 0.916 0.030 . 1 . . . . 45 LEU HD1 . 10214 1
506 . 1 1 45 45 LEU HD12 H 1 0.916 0.030 . 1 . . . . 45 LEU HD1 . 10214 1
507 . 1 1 45 45 LEU HD13 H 1 0.916 0.030 . 1 . . . . 45 LEU HD1 . 10214 1
508 . 1 1 45 45 LEU CD2 C 13 23.009 0.300 . 2 . . . . 45 LEU CD2 . 10214 1
509 . 1 1 45 45 LEU HD21 H 1 0.797 0.030 . 1 . . . . 45 LEU HD2 . 10214 1
510 . 1 1 45 45 LEU HD22 H 1 0.797 0.030 . 1 . . . . 45 LEU HD2 . 10214 1
511 . 1 1 45 45 LEU HD23 H 1 0.797 0.030 . 1 . . . . 45 LEU HD2 . 10214 1
512 . 1 1 45 45 LEU C C 13 179.099 0.300 . 1 . . . . 45 LEU C . 10214 1
513 . 1 1 46 46 GLU N N 15 120.581 0.300 . 1 . . . . 46 GLU N . 10214 1
514 . 1 1 46 46 GLU H H 1 8.001 0.030 . 1 . . . . 46 GLU H . 10214 1
515 . 1 1 46 46 GLU CA C 13 58.462 0.300 . 1 . . . . 46 GLU CA . 10214 1
516 . 1 1 46 46 GLU HA H 1 3.961 0.030 . 1 . . . . 46 GLU HA . 10214 1
517 . 1 1 46 46 GLU CB C 13 29.956 0.300 . 1 . . . . 46 GLU CB . 10214 1
518 . 1 1 46 46 GLU HB2 H 1 1.897 0.030 . 2 . . . . 46 GLU HB2 . 10214 1
519 . 1 1 46 46 GLU HB3 H 1 1.808 0.030 . 2 . . . . 46 GLU HB3 . 10214 1
520 . 1 1 46 46 GLU CG C 13 35.869 0.300 . 1 . . . . 46 GLU CG . 10214 1
521 . 1 1 46 46 GLU HG2 H 1 2.090 0.030 . 2 . . . . 46 GLU HG2 . 10214 1
522 . 1 1 46 46 GLU HG3 H 1 2.168 0.030 . 2 . . . . 46 GLU HG3 . 10214 1
523 . 1 1 46 46 GLU C C 13 177.685 0.300 . 1 . . . . 46 GLU C . 10214 1
524 . 1 1 47 47 ALA N N 15 121.265 0.300 . 1 . . . . 47 ALA N . 10214 1
525 . 1 1 47 47 ALA H H 1 7.625 0.030 . 1 . . . . 47 ALA H . 10214 1
526 . 1 1 47 47 ALA CA C 13 54.438 0.300 . 1 . . . . 47 ALA CA . 10214 1
527 . 1 1 47 47 ALA HA H 1 4.082 0.030 . 1 . . . . 47 ALA HA . 10214 1
528 . 1 1 47 47 ALA CB C 13 18.192 0.300 . 1 . . . . 47 ALA CB . 10214 1
529 . 1 1 47 47 ALA HB1 H 1 1.398 0.030 . 1 . . . . 47 ALA HB . 10214 1
530 . 1 1 47 47 ALA HB2 H 1 1.398 0.030 . 1 . . . . 47 ALA HB . 10214 1
531 . 1 1 47 47 ALA HB3 H 1 1.398 0.030 . 1 . . . . 47 ALA HB . 10214 1
532 . 1 1 47 47 ALA C C 13 179.879 0.300 . 1 . . . . 47 ALA C . 10214 1
533 . 1 1 48 48 LYS N N 15 118.414 0.300 . 1 . . . . 48 LYS N . 10214 1
534 . 1 1 48 48 LYS H H 1 7.776 0.030 . 1 . . . . 48 LYS H . 10214 1
535 . 1 1 48 48 LYS CA C 13 58.491 0.300 . 1 . . . . 48 LYS CA . 10214 1
536 . 1 1 48 48 LYS HA H 1 4.063 0.030 . 1 . . . . 48 LYS HA . 10214 1
537 . 1 1 48 48 LYS CB C 13 32.565 0.300 . 1 . . . . 48 LYS CB . 10214 1
538 . 1 1 48 48 LYS HB2 H 1 1.853 0.030 . 1 . . . . 48 LYS HB2 . 10214 1
539 . 1 1 48 48 LYS HB3 H 1 1.853 0.030 . 1 . . . . 48 LYS HB3 . 10214 1
540 . 1 1 48 48 LYS CG C 13 25.200 0.300 . 1 . . . . 48 LYS CG . 10214 1
541 . 1 1 48 48 LYS HG2 H 1 1.385 0.030 . 2 . . . . 48 LYS HG2 . 10214 1
542 . 1 1 48 48 LYS HG3 H 1 1.540 0.030 . 2 . . . . 48 LYS HG3 . 10214 1
543 . 1 1 48 48 LYS CD C 13 29.394 0.300 . 1 . . . . 48 LYS CD . 10214 1
544 . 1 1 48 48 LYS HD2 H 1 1.616 0.030 . 2 . . . . 48 LYS HD2 . 10214 1
545 . 1 1 48 48 LYS CE C 13 42.030 0.300 . 1 . . . . 48 LYS CE . 10214 1
546 . 1 1 48 48 LYS HE2 H 1 2.908 0.030 . 2 . . . . 48 LYS HE2 . 10214 1
547 . 1 1 48 48 LYS C C 13 178.235 0.300 . 1 . . . . 48 LYS C . 10214 1
548 . 1 1 49 49 ARG N N 15 120.324 0.300 . 1 . . . . 49 ARG N . 10214 1
549 . 1 1 49 49 ARG H H 1 7.968 0.030 . 1 . . . . 49 ARG H . 10214 1
550 . 1 1 49 49 ARG CA C 13 58.156 0.300 . 1 . . . . 49 ARG CA . 10214 1
551 . 1 1 49 49 ARG HA H 1 4.140 0.030 . 1 . . . . 49 ARG HA . 10214 1
552 . 1 1 49 49 ARG CB C 13 30.349 0.300 . 1 . . . . 49 ARG CB . 10214 1
553 . 1 1 49 49 ARG HB2 H 1 1.820 0.030 . 2 . . . . 49 ARG HB2 . 10214 1
554 . 1 1 49 49 ARG HB3 H 1 1.883 0.030 . 2 . . . . 49 ARG HB3 . 10214 1
555 . 1 1 49 49 ARG CG C 13 27.474 0.300 . 1 . . . . 49 ARG CG . 10214 1
556 . 1 1 49 49 ARG HG2 H 1 1.581 0.030 . 2 . . . . 49 ARG HG2 . 10214 1
557 . 1 1 49 49 ARG HG3 H 1 1.660 0.030 . 2 . . . . 49 ARG HG3 . 10214 1
558 . 1 1 49 49 ARG CD C 13 43.289 0.300 . 1 . . . . 49 ARG CD . 10214 1
559 . 1 1 49 49 ARG HD2 H 1 3.214 0.030 . 2 . . . . 49 ARG HD2 . 10214 1
560 . 1 1 49 49 ARG HD3 H 1 3.126 0.030 . 2 . . . . 49 ARG HD3 . 10214 1
561 . 1 1 49 49 ARG C C 13 177.985 0.300 . 1 . . . . 49 ARG C . 10214 1
562 . 1 1 50 50 LYS N N 15 120.001 0.300 . 1 . . . . 50 LYS N . 10214 1
563 . 1 1 50 50 LYS H H 1 8.051 0.030 . 1 . . . . 50 LYS H . 10214 1
564 . 1 1 50 50 LYS CA C 13 58.185 0.300 . 1 . . . . 50 LYS CA . 10214 1
565 . 1 1 50 50 LYS HA H 1 4.099 0.030 . 1 . . . . 50 LYS HA . 10214 1
566 . 1 1 50 50 LYS CB C 13 32.645 0.300 . 1 . . . . 50 LYS CB . 10214 1
567 . 1 1 50 50 LYS HB2 H 1 1.802 0.030 . 1 . . . . 50 LYS HB2 . 10214 1
568 . 1 1 50 50 LYS CG C 13 25.396 0.300 . 1 . . . . 50 LYS CG . 10214 1
569 . 1 1 50 50 LYS HG2 H 1 1.393 0.030 . 2 . . . . 50 LYS HG2 . 10214 1
570 . 1 1 50 50 LYS HG3 H 1 1.541 0.030 . 2 . . . . 50 LYS HG3 . 10214 1
571 . 1 1 50 50 LYS CD C 13 29.328 0.300 . 1 . . . . 50 LYS CD . 10214 1
572 . 1 1 50 50 LYS HD2 H 1 1.662 0.030 . 2 . . . . 50 LYS HD2 . 10214 1
573 . 1 1 50 50 LYS CE C 13 42.114 0.300 . 1 . . . . 50 LYS CE . 10214 1
574 . 1 1 50 50 LYS HE2 H 1 2.966 0.030 . 2 . . . . 50 LYS HE2 . 10214 1
575 . 1 1 50 50 LYS C C 13 177.791 0.300 . 1 . . . . 50 LYS C . 10214 1
576 . 1 1 51 51 LYS N N 15 120.458 0.300 . 1 . . . . 51 LYS N . 10214 1
577 . 1 1 51 51 LYS H H 1 7.915 0.030 . 1 . . . . 51 LYS H . 10214 1
578 . 1 1 51 51 LYS CA C 13 57.452 0.300 . 1 . . . . 51 LYS CA . 10214 1
579 . 1 1 51 51 LYS HA H 1 4.189 0.030 . 1 . . . . 51 LYS HA . 10214 1
580 . 1 1 51 51 LYS CB C 13 32.620 0.300 . 1 . . . . 51 LYS CB . 10214 1
581 . 1 1 51 51 LYS HB2 H 1 1.857 0.030 . 1 . . . . 51 LYS HB2 . 10214 1
582 . 1 1 51 51 LYS HB3 H 1 1.857 0.030 . 1 . . . . 51 LYS HB3 . 10214 1
583 . 1 1 51 51 LYS CG C 13 24.802 0.300 . 1 . . . . 51 LYS CG . 10214 1
584 . 1 1 51 51 LYS HG2 H 1 1.482 0.030 . 2 . . . . 51 LYS HG2 . 10214 1
585 . 1 1 51 51 LYS HG3 H 1 1.452 0.030 . 2 . . . . 51 LYS HG3 . 10214 1
586 . 1 1 51 51 LYS CD C 13 29.022 0.300 . 1 . . . . 51 LYS CD . 10214 1
587 . 1 1 51 51 LYS HD2 H 1 1.678 0.030 . 2 . . . . 51 LYS HD2 . 10214 1
588 . 1 1 51 51 LYS CE C 13 42.120 0.300 . 1 . . . . 51 LYS CE . 10214 1
589 . 1 1 51 51 LYS HE2 H 1 2.968 0.030 . 2 . . . . 51 LYS HE2 . 10214 1
590 . 1 1 51 51 LYS C C 13 177.670 0.300 . 1 . . . . 51 LYS C . 10214 1
591 . 1 1 52 52 GLN N N 15 119.883 0.300 . 1 . . . . 52 GLN N . 10214 1
592 . 1 1 52 52 GLN H H 1 8.060 0.030 . 1 . . . . 52 GLN H . 10214 1
593 . 1 1 52 52 GLN CA C 13 56.866 0.300 . 1 . . . . 52 GLN CA . 10214 1
594 . 1 1 52 52 GLN HA H 1 4.213 0.030 . 1 . . . . 52 GLN HA . 10214 1
595 . 1 1 52 52 GLN CB C 13 28.969 0.300 . 1 . . . . 52 GLN CB . 10214 1
596 . 1 1 52 52 GLN HB2 H 1 2.117 0.030 . 2 . . . . 52 GLN HB2 . 10214 1
597 . 1 1 52 52 GLN HB3 H 1 2.094 0.030 . 2 . . . . 52 GLN HB3 . 10214 1
598 . 1 1 52 52 GLN CG C 13 33.938 0.300 . 1 . . . . 52 GLN CG . 10214 1
599 . 1 1 52 52 GLN HG2 H 1 2.383 0.030 . 2 . . . . 52 GLN HG2 . 10214 1
600 . 1 1 52 52 GLN HG3 H 1 2.431 0.030 . 2 . . . . 52 GLN HG3 . 10214 1
601 . 1 1 52 52 GLN NE2 N 15 112.161 0.300 . 1 . . . . 52 GLN NE2 . 10214 1
602 . 1 1 52 52 GLN HE21 H 1 7.520 0.030 . 2 . . . . 52 GLN HE21 . 10214 1
603 . 1 1 52 52 GLN HE22 H 1 6.857 0.030 . 2 . . . . 52 GLN HE22 . 10214 1
604 . 1 1 52 52 GLN C C 13 176.851 0.300 . 1 . . . . 52 GLN C . 10214 1
605 . 1 1 53 53 LEU N N 15 121.489 0.300 . 1 . . . . 53 LEU N . 10214 1
606 . 1 1 53 53 LEU H H 1 8.027 0.030 . 1 . . . . 53 LEU H . 10214 1
607 . 1 1 53 53 LEU CA C 13 55.826 0.300 . 1 . . . . 53 LEU CA . 10214 1
608 . 1 1 53 53 LEU HA H 1 4.288 0.030 . 1 . . . . 53 LEU HA . 10214 1
609 . 1 1 53 53 LEU CB C 13 42.379 0.300 . 1 . . . . 53 LEU CB . 10214 1
610 . 1 1 53 53 LEU HB2 H 1 1.614 0.030 . 2 . . . . 53 LEU HB2 . 10214 1
611 . 1 1 53 53 LEU HB3 H 1 1.729 0.030 . 2 . . . . 53 LEU HB3 . 10214 1
612 . 1 1 53 53 LEU CG C 13 26.912 0.300 . 1 . . . . 53 LEU CG . 10214 1
613 . 1 1 53 53 LEU HG H 1 1.692 0.030 . 1 . . . . 53 LEU HG . 10214 1
614 . 1 1 53 53 LEU CD1 C 13 25.023 0.300 . 2 . . . . 53 LEU CD1 . 10214 1
615 . 1 1 53 53 LEU HD11 H 1 0.896 0.030 . 1 . . . . 53 LEU HD1 . 10214 1
616 . 1 1 53 53 LEU HD12 H 1 0.896 0.030 . 1 . . . . 53 LEU HD1 . 10214 1
617 . 1 1 53 53 LEU HD13 H 1 0.896 0.030 . 1 . . . . 53 LEU HD1 . 10214 1
618 . 1 1 53 53 LEU CD2 C 13 23.342 0.300 . 2 . . . . 53 LEU CD2 . 10214 1
619 . 1 1 53 53 LEU HD21 H 1 0.870 0.030 . 1 . . . . 53 LEU HD2 . 10214 1
620 . 1 1 53 53 LEU HD22 H 1 0.870 0.030 . 1 . . . . 53 LEU HD2 . 10214 1
621 . 1 1 53 53 LEU HD23 H 1 0.870 0.030 . 1 . . . . 53 LEU HD2 . 10214 1
622 . 1 1 53 53 LEU C C 13 177.973 0.300 . 1 . . . . 53 LEU C . 10214 1
623 . 1 1 54 54 GLU N N 15 120.395 0.300 . 1 . . . . 54 GLU N . 10214 1
624 . 1 1 54 54 GLU H H 1 8.141 0.030 . 1 . . . . 54 GLU H . 10214 1
625 . 1 1 54 54 GLU CA C 13 56.906 0.300 . 1 . . . . 54 GLU CA . 10214 1
626 . 1 1 54 54 GLU HA H 1 4.291 0.030 . 1 . . . . 54 GLU HA . 10214 1
627 . 1 1 54 54 GLU CB C 13 30.228 0.300 . 1 . . . . 54 GLU CB . 10214 1
628 . 1 1 54 54 GLU HB2 H 1 2.003 0.030 . 2 . . . . 54 GLU HB2 . 10214 1
629 . 1 1 54 54 GLU HB3 H 1 2.096 0.030 . 2 . . . . 54 GLU HB3 . 10214 1
630 . 1 1 54 54 GLU CG C 13 36.317 0.300 . 1 . . . . 54 GLU CG . 10214 1
631 . 1 1 54 54 GLU HG2 H 1 2.351 0.030 . 2 . . . . 54 GLU HG2 . 10214 1
632 . 1 1 54 54 GLU HG3 H 1 2.267 0.030 . 2 . . . . 54 GLU HG3 . 10214 1
633 . 1 1 54 54 GLU C C 13 176.762 0.300 . 1 . . . . 54 GLU C . 10214 1
634 . 1 1 55 55 SER N N 15 115.834 0.300 . 1 . . . . 55 SER N . 10214 1
635 . 1 1 55 55 SER H H 1 8.178 0.030 . 1 . . . . 55 SER H . 10214 1
636 . 1 1 55 55 SER CA C 13 58.606 0.300 . 1 . . . . 55 SER CA . 10214 1
637 . 1 1 55 55 SER HA H 1 4.492 0.030 . 1 . . . . 55 SER HA . 10214 1
638 . 1 1 55 55 SER CB C 13 63.869 0.300 . 1 . . . . 55 SER CB . 10214 1
639 . 1 1 55 55 SER HB2 H 1 3.902 0.030 . 1 . . . . 55 SER HB2 . 10214 1
640 . 1 1 55 55 SER HB3 H 1 3.902 0.030 . 1 . . . . 55 SER HB3 . 10214 1
641 . 1 1 55 55 SER C C 13 174.614 0.300 . 1 . . . . 55 SER C . 10214 1
642 . 1 1 56 56 GLY N N 15 110.601 0.300 . 1 . . . . 56 GLY N . 10214 1
643 . 1 1 56 56 GLY H H 1 8.163 0.030 . 1 . . . . 56 GLY H . 10214 1
644 . 1 1 56 56 GLY CA C 13 44.731 0.300 . 1 . . . . 56 GLY CA . 10214 1
645 . 1 1 56 56 GLY HA2 H 1 4.098 0.030 . 2 . . . . 56 GLY HA2 . 10214 1
646 . 1 1 56 56 GLY HA3 H 1 4.167 0.030 . 2 . . . . 56 GLY HA3 . 10214 1
647 . 1 1 56 56 GLY C C 13 171.805 0.300 . 1 . . . . 56 GLY C . 10214 1
648 . 1 1 57 57 PRO CA C 13 63.271 0.300 . 1 . . . . 57 PRO CA . 10214 1
649 . 1 1 57 57 PRO HA H 1 4.475 0.030 . 1 . . . . 57 PRO HA . 10214 1
650 . 1 1 57 57 PRO CB C 13 32.133 0.300 . 1 . . . . 57 PRO CB . 10214 1
651 . 1 1 57 57 PRO HB2 H 1 1.963 0.030 . 2 . . . . 57 PRO HB2 . 10214 1
652 . 1 1 57 57 PRO HB3 H 1 2.278 0.030 . 2 . . . . 57 PRO HB3 . 10214 1
653 . 1 1 57 57 PRO CG C 13 27.162 0.300 . 1 . . . . 57 PRO CG . 10214 1
654 . 1 1 57 57 PRO HG2 H 1 2.007 0.030 . 1 . . . . 57 PRO HG2 . 10214 1
655 . 1 1 57 57 PRO HG3 H 1 2.007 0.030 . 1 . . . . 57 PRO HG3 . 10214 1
656 . 1 1 57 57 PRO CD C 13 49.805 0.300 . 1 . . . . 57 PRO CD . 10214 1
657 . 1 1 57 57 PRO HD2 H 1 3.625 0.030 . 1 . . . . 57 PRO HD2 . 10214 1
658 . 1 1 57 57 PRO HD3 H 1 3.625 0.030 . 1 . . . . 57 PRO HD3 . 10214 1
659 . 1 1 57 57 PRO C C 13 177.422 0.300 . 1 . . . . 57 PRO C . 10214 1
660 . 1 1 58 58 SER N N 15 116.422 0.300 . 1 . . . . 58 SER N . 10214 1
661 . 1 1 58 58 SER H H 1 8.524 0.030 . 1 . . . . 58 SER H . 10214 1
662 . 1 1 58 58 SER CA C 13 58.457 0.300 . 1 . . . . 58 SER CA . 10214 1
663 . 1 1 58 58 SER HA H 1 4.494 0.030 . 1 . . . . 58 SER HA . 10214 1
664 . 1 1 58 58 SER CB C 13 63.945 0.300 . 1 . . . . 58 SER CB . 10214 1
665 . 1 1 58 58 SER HB2 H 1 3.914 0.030 . 1 . . . . 58 SER HB2 . 10214 1
666 . 1 1 58 58 SER HB3 H 1 3.914 0.030 . 1 . . . . 58 SER HB3 . 10214 1
667 . 1 1 58 58 SER C C 13 174.720 0.300 . 1 . . . . 58 SER C . 10214 1
668 . 1 1 59 59 SER N N 15 117.951 0.300 . 1 . . . . 59 SER N . 10214 1
669 . 1 1 59 59 SER H H 1 8.342 0.030 . 1 . . . . 59 SER H . 10214 1
670 . 1 1 59 59 SER CA C 13 58.327 0.300 . 1 . . . . 59 SER CA . 10214 1
671 . 1 1 59 59 SER HA H 1 4.491 0.030 . 1 . . . . 59 SER HA . 10214 1
672 . 1 1 59 59 SER CB C 13 63.965 0.300 . 1 . . . . 59 SER CB . 10214 1
673 . 1 1 59 59 SER HB2 H 1 3.907 0.030 . 1 . . . . 59 SER HB2 . 10214 1
674 . 1 1 59 59 SER HB3 H 1 3.907 0.030 . 1 . . . . 59 SER HB3 . 10214 1
675 . 1 1 59 59 SER C C 13 173.967 0.300 . 1 . . . . 59 SER C . 10214 1
676 . 1 1 60 60 GLY N N 15 116.885 0.300 . 1 . . . . 60 GLY N . 10214 1
677 . 1 1 60 60 GLY H H 1 8.054 0.030 . 1 . . . . 60 GLY H . 10214 1
678 . 1 1 60 60 GLY CA C 13 46.223 0.300 . 1 . . . . 60 GLY CA . 10214 1
679 . 1 1 60 60 GLY C C 13 179.022 0.300 . 1 . . . . 60 GLY C . 10214 1
stop_
save_