data_11349
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11349
_Entry.Title
;
Solution structure of LIM domain in LIM-protein 3
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-09-07
_Entry.Accession_date 2010-09-07
_Entry.Last_release_date 2011-09-07
_Entry.Original_release_date 2011-09-07
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.14
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 F. He . . . 11349
2 Y. Muto . . . 11349
3 M. Inoue . . . 11349
4 T. Kigawa . . . 11349
5 M. Shirouzu . . . 11349
6 T. Terada . . . 11349
7 S. Yokoyama . . . 11349
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
. 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11349
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 11349
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 289 11349
'15N chemical shifts' 66 11349
'1H chemical shifts' 437 11349
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2011-09-07 2010-09-07 original author . 11349
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1X4K 'BMRB Entry Tracking System' 11349
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 11349
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'Solution structure of LIM domain in LIM-protein 3'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev .
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 F. He . . . 11349 1
2 Y. Muto . . . 11349 1
3 M. Inoue . . . 11349 1
4 T. Kigawa . . . 11349 1
5 M. Shirouzu . . . 11349 1
6 T. Terada . . . 11349 1
7 S. Yokoyama . . . 11349 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 11349
_Assembly.ID 1
_Assembly.Name 'Skeletal muscle LIM-protein 3'
_Assembly.BMRB_code .
_Assembly.Number_of_components 3
_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 'LIM domain' 1 $entity_1 A . yes native no no . . . 11349 1
2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11349 1
3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11349 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 coordination single . 1 'LIM domain' 1 CYS 8 8 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 8 CYS SG . . . . ZN 11349 1
2 coordination single . 1 'LIM domain' 1 CYS 11 11 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 11 CYS SG . . . . ZN 11349 1
3 coordination single . 1 'LIM domain' 1 HIS 30 30 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 30 HIS ND1 . . . . ZN 11349 1
4 coordination single . 1 'LIM domain' 1 CYS 33 33 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 33 CYS SG . . . . ZN 11349 1
5 coordination single . 1 'LIM domain' 1 CYS 36 36 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 36 CYS SG . . . . ZN 11349 1
6 coordination single . 1 'LIM domain' 1 CYS 39 39 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 39 CYS SG . . . . ZN 11349 1
7 coordination single . 1 'LIM domain' 1 CYS 57 57 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 57 CYS SG . . . . ZN 11349 1
8 coordination single . 1 'LIM domain' 1 CYS 60 60 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 60 CYS SG . . . . ZN 11349 1
stop_
loop_
_Entity_deleted_atom.ID
_Entity_deleted_atom.Entity_atom_list_ID
_Entity_deleted_atom.Entity_assembly_ID
_Entity_deleted_atom.Entity_ID
_Entity_deleted_atom.Comp_ID
_Entity_deleted_atom.Comp_index_ID
_Entity_deleted_atom.Seq_ID
_Entity_deleted_atom.Atom_ID
_Entity_deleted_atom.Auth_entity_assembly_ID
_Entity_deleted_atom.Auth_seq_ID
_Entity_deleted_atom.Auth_comp_ID
_Entity_deleted_atom.Auth_atom_ID
_Entity_deleted_atom.Entry_ID
_Entity_deleted_atom.Assembly_ID
. . 1 1 CYS 57 57 HG . 57 CYS HG 11349 1
. . 1 1 CYS 60 60 HG . 60 CYS HG 11349 1
. . 1 1 CYS 36 36 HG . 36 CYS HG 11349 1
. . 1 1 CYS 39 39 HG . 39 CYS HG 11349 1
. . 1 1 HIS 30 30 HD1 . 30 HIS HD1 11349 1
. . 1 1 CYS 33 33 HG . 33 CYS HG 11349 1
. . 1 1 CYS 8 8 HG . 8 CYS HG 11349 1
. . 1 1 CYS 11 11 HG . 11 CYS HG 11349 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
yes PDB 1x4k . . . . . . 11349 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 11349
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'LIM domain'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GSSGSSGCQECKKTIMPGTR
KMEYKGSSWHETCFICHRCQ
QPIGTKSFIPKDNQNFCVPC
YEKQHASGPSSG
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 72
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all other bound'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2014-05-12
loop_
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
no PDB 1X4K . "Solution Structure Of Lim Domain In Lim-Protein 3" . . . . . 100.00 72 100.00 100.00 1.40e-44 . . . . 11349 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'LIM domain' . 11349 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 . 11349 1
2 . SER . 11349 1
3 . SER . 11349 1
4 . GLY . 11349 1
5 . SER . 11349 1
6 . SER . 11349 1
7 . GLY . 11349 1
8 . CYS . 11349 1
9 . GLN . 11349 1
10 . GLU . 11349 1
11 . CYS . 11349 1
12 . LYS . 11349 1
13 . LYS . 11349 1
14 . THR . 11349 1
15 . ILE . 11349 1
16 . MET . 11349 1
17 . PRO . 11349 1
18 . GLY . 11349 1
19 . THR . 11349 1
20 . ARG . 11349 1
21 . LYS . 11349 1
22 . MET . 11349 1
23 . GLU . 11349 1
24 . TYR . 11349 1
25 . LYS . 11349 1
26 . GLY . 11349 1
27 . SER . 11349 1
28 . SER . 11349 1
29 . TRP . 11349 1
30 . HIS . 11349 1
31 . GLU . 11349 1
32 . THR . 11349 1
33 . CYS . 11349 1
34 . PHE . 11349 1
35 . ILE . 11349 1
36 . CYS . 11349 1
37 . HIS . 11349 1
38 . ARG . 11349 1
39 . CYS . 11349 1
40 . GLN . 11349 1
41 . GLN . 11349 1
42 . PRO . 11349 1
43 . ILE . 11349 1
44 . GLY . 11349 1
45 . THR . 11349 1
46 . LYS . 11349 1
47 . SER . 11349 1
48 . PHE . 11349 1
49 . ILE . 11349 1
50 . PRO . 11349 1
51 . LYS . 11349 1
52 . ASP . 11349 1
53 . ASN . 11349 1
54 . GLN . 11349 1
55 . ASN . 11349 1
56 . PHE . 11349 1
57 . CYS . 11349 1
58 . VAL . 11349 1
59 . PRO . 11349 1
60 . CYS . 11349 1
61 . TYR . 11349 1
62 . GLU . 11349 1
63 . LYS . 11349 1
64 . GLN . 11349 1
65 . HIS . 11349 1
66 . ALA . 11349 1
67 . SER . 11349 1
68 . GLY . 11349 1
69 . PRO . 11349 1
70 . SER . 11349 1
71 . SER . 11349 1
72 . GLY . 11349 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 11349 1
. SER 2 2 11349 1
. SER 3 3 11349 1
. GLY 4 4 11349 1
. SER 5 5 11349 1
. SER 6 6 11349 1
. GLY 7 7 11349 1
. CYS 8 8 11349 1
. GLN 9 9 11349 1
. GLU 10 10 11349 1
. CYS 11 11 11349 1
. LYS 12 12 11349 1
. LYS 13 13 11349 1
. THR 14 14 11349 1
. ILE 15 15 11349 1
. MET 16 16 11349 1
. PRO 17 17 11349 1
. GLY 18 18 11349 1
. THR 19 19 11349 1
. ARG 20 20 11349 1
. LYS 21 21 11349 1
. MET 22 22 11349 1
. GLU 23 23 11349 1
. TYR 24 24 11349 1
. LYS 25 25 11349 1
. GLY 26 26 11349 1
. SER 27 27 11349 1
. SER 28 28 11349 1
. TRP 29 29 11349 1
. HIS 30 30 11349 1
. GLU 31 31 11349 1
. THR 32 32 11349 1
. CYS 33 33 11349 1
. PHE 34 34 11349 1
. ILE 35 35 11349 1
. CYS 36 36 11349 1
. HIS 37 37 11349 1
. ARG 38 38 11349 1
. CYS 39 39 11349 1
. GLN 40 40 11349 1
. GLN 41 41 11349 1
. PRO 42 42 11349 1
. ILE 43 43 11349 1
. GLY 44 44 11349 1
. THR 45 45 11349 1
. LYS 46 46 11349 1
. SER 47 47 11349 1
. PHE 48 48 11349 1
. ILE 49 49 11349 1
. PRO 50 50 11349 1
. LYS 51 51 11349 1
. ASP 52 52 11349 1
. ASN 53 53 11349 1
. GLN 54 54 11349 1
. ASN 55 55 11349 1
. PHE 56 56 11349 1
. CYS 57 57 11349 1
. VAL 58 58 11349 1
. PRO 59 59 11349 1
. CYS 60 60 11349 1
. TYR 61 61 11349 1
. GLU 62 62 11349 1
. LYS 63 63 11349 1
. GLN 64 64 11349 1
. HIS 65 65 11349 1
. ALA 66 66 11349 1
. SER 67 67 11349 1
. GLY 68 68 11349 1
. PRO 69 69 11349 1
. SER 70 70 11349 1
. SER 71 71 11349 1
. GLY 72 72 11349 1
stop_
save_
save_ZN
_Entity.Sf_category entity
_Entity.Sf_framecode ZN
_Entity.Entry_ID 11349
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name ZN
_Entity.Type non-polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type .
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code .
_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 .
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID ZN
_Entity.Nonpolymer_comp_label $chem_comp_ZN
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID 2
_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 .
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 . ZN . 11349 2
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 11349
_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 . . . . . . . . . . . . . . . . . . . . . 11349 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 11349
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P040830-05 . . . . . . 11349 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ZN
_Chem_comp.Entry_ID 11349
_Chem_comp.ID ZN
_Chem_comp.Provenance .
_Chem_comp.Name 'ZINC ION'
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code .
_Chem_comp.PDB_code ZN
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 1999-07-08
_Chem_comp.Modified_date 2008-12-05
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code ZN
_Chem_comp.Number_atoms_all .
_Chem_comp.Number_atoms_nh .
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code .
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic no
_Chem_comp.Formula Zn
_Chem_comp.Formula_weight 65.409
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jun 9 16:52:42 2009
;
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
InChI=1/Zn/q+2 InChI InChI 1.02b 11349 ZN
PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11349 ZN
[Zn++] SMILES CACTVS 3.341 11349 ZN
[Zn++] SMILES_CANONICAL CACTVS 3.341 11349 ZN
[Zn+2] SMILES ACDLabs 10.04 11349 ZN
[Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11349 ZN
[Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11349 ZN
stop_
loop_
_Chem_comp_identifier.Identifier
_Chem_comp_identifier.Type
_Chem_comp_identifier.Program
_Chem_comp_identifier.Program_version
_Chem_comp_identifier.Entry_ID
_Chem_comp_identifier.Comp_ID
zinc 'SYSTEMATIC NAME' ACDLabs 10.04 11349 ZN
'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11349 ZN
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11349 ZN
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 11349
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
0.8mM U-15, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 100uM {ZnCl2;}
1mM {d-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 'LIM domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.8 . . mM . . . . 11349 1
2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11349 1
3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11349 1
4 ZnCl2 'natural abundance' . . . . . salt 100 . . uM . . . . 11349 1
5 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11349 1
6 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11349 1
7 H2O . . . . . . solvent 90 . . % . . . . 11349 1
8 D2O . . . . . . solvent 10 . . % . . . . 11349 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 11349
_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 11349 1
pH 7.0 0.05 pH 11349 1
pressure 1 0.001 atm 11349 1
temperature 298 0.1 K 11349 1
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Software.Sf_category software
_Software.Sf_framecode XWINNMR
_Software.Entry_ID 11349
_Software.ID 1
_Software.Name xwinnmr
_Software.Version 2.6
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Bruker . . 11349 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 11349 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 11349
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 20031121
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio F.' . . 11349 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 11349 2
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 11349
_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.' . . 11349 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11349 3
stop_
save_
save_Kujira
_Software.Sf_category software
_Software.Sf_framecode Kujira
_Software.Entry_ID 11349
_Software.ID 4
_Software.Name Kujira
_Software.Version 0.863
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Kobayashi N.' . . 11349 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11349 4
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 11349
_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.' . . 11349 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 11349 5
'structure solution' 11349 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 11349
_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 11349
_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 . . . 11349 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 11349
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11349 1
2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11349 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 11349
_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 . . . . . . . . . 11349 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11349 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11349 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 11349
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11349 1
2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11349 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $XWINNMR . . 11349 1
2 $NMRPipe . . 11349 1
3 $NMRView . . 11349 1
4 $Kujira . . 11349 1
5 $CYANA . . 11349 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 6 6 SER HA H 1 4.464 0.030 . 1 . . . . 6 SER HA . 11349 1
2 . 1 1 6 6 SER HB2 H 1 3.783 0.030 . 1 . . . . 6 SER HB2 . 11349 1
3 . 1 1 6 6 SER HB3 H 1 3.783 0.030 . 1 . . . . 6 SER HB3 . 11349 1
4 . 1 1 6 6 SER C C 13 173.655 0.300 . 1 . . . . 6 SER C . 11349 1
5 . 1 1 6 6 SER CA C 13 58.179 0.300 . 1 . . . . 6 SER CA . 11349 1
6 . 1 1 6 6 SER CB C 13 64.185 0.300 . 1 . . . . 6 SER CB . 11349 1
7 . 1 1 7 7 GLY H H 1 8.111 0.030 . 1 . . . . 7 GLY H . 11349 1
8 . 1 1 7 7 GLY HA2 H 1 3.981 0.030 . 2 . . . . 7 GLY HA2 . 11349 1
9 . 1 1 7 7 GLY HA3 H 1 3.331 0.030 . 2 . . . . 7 GLY HA3 . 11349 1
10 . 1 1 7 7 GLY C C 13 171.879 0.300 . 1 . . . . 7 GLY C . 11349 1
11 . 1 1 7 7 GLY CA C 13 43.973 0.300 . 1 . . . . 7 GLY CA . 11349 1
12 . 1 1 7 7 GLY N N 15 109.726 0.300 . 1 . . . . 7 GLY N . 11349 1
13 . 1 1 8 8 CYS H H 1 8.029 0.030 . 1 . . . . 8 CYS H . 11349 1
14 . 1 1 8 8 CYS HA H 1 4.237 0.030 . 1 . . . . 8 CYS HA . 11349 1
15 . 1 1 8 8 CYS HB2 H 1 3.379 0.030 . 2 . . . . 8 CYS HB2 . 11349 1
16 . 1 1 8 8 CYS HB3 H 1 2.163 0.030 . 2 . . . . 8 CYS HB3 . 11349 1
17 . 1 1 8 8 CYS C C 13 177.894 0.300 . 1 . . . . 8 CYS C . 11349 1
18 . 1 1 8 8 CYS CA C 13 58.087 0.300 . 1 . . . . 8 CYS CA . 11349 1
19 . 1 1 8 8 CYS CB C 13 31.305 0.300 . 1 . . . . 8 CYS CB . 11349 1
20 . 1 1 8 8 CYS N N 15 122.845 0.300 . 1 . . . . 8 CYS N . 11349 1
21 . 1 1 9 9 GLN H H 1 8.581 0.030 . 1 . . . . 9 GLN H . 11349 1
22 . 1 1 9 9 GLN HA H 1 3.710 0.030 . 1 . . . . 9 GLN HA . 11349 1
23 . 1 1 9 9 GLN HB2 H 1 1.108 0.030 . 2 . . . . 9 GLN HB2 . 11349 1
24 . 1 1 9 9 GLN HB3 H 1 0.785 0.030 . 2 . . . . 9 GLN HB3 . 11349 1
25 . 1 1 9 9 GLN HE21 H 1 6.834 0.030 . 2 . . . . 9 GLN HE21 . 11349 1
26 . 1 1 9 9 GLN HE22 H 1 7.592 0.030 . 2 . . . . 9 GLN HE22 . 11349 1
27 . 1 1 9 9 GLN HG2 H 1 2.091 0.030 . 2 . . . . 9 GLN HG2 . 11349 1
28 . 1 1 9 9 GLN HG3 H 1 1.980 0.030 . 2 . . . . 9 GLN HG3 . 11349 1
29 . 1 1 9 9 GLN C C 13 175.674 0.300 . 1 . . . . 9 GLN C . 11349 1
30 . 1 1 9 9 GLN CA C 13 57.528 0.300 . 1 . . . . 9 GLN CA . 11349 1
31 . 1 1 9 9 GLN CB C 13 28.095 0.300 . 1 . . . . 9 GLN CB . 11349 1
32 . 1 1 9 9 GLN CG C 13 33.006 0.300 . 1 . . . . 9 GLN CG . 11349 1
33 . 1 1 9 9 GLN N N 15 130.162 0.300 . 1 . . . . 9 GLN N . 11349 1
34 . 1 1 9 9 GLN NE2 N 15 113.507 0.300 . 1 . . . . 9 GLN NE2 . 11349 1
35 . 1 1 10 10 GLU H H 1 8.381 0.030 . 1 . . . . 10 GLU H . 11349 1
36 . 1 1 10 10 GLU HA H 1 4.703 0.030 . 1 . . . . 10 GLU HA . 11349 1
37 . 1 1 10 10 GLU HB2 H 1 2.570 0.030 . 2 . . . . 10 GLU HB2 . 11349 1
38 . 1 1 10 10 GLU HB3 H 1 2.269 0.030 . 2 . . . . 10 GLU HB3 . 11349 1
39 . 1 1 10 10 GLU HG2 H 1 2.862 0.030 . 2 . . . . 10 GLU HG2 . 11349 1
40 . 1 1 10 10 GLU HG3 H 1 2.311 0.030 . 2 . . . . 10 GLU HG3 . 11349 1
41 . 1 1 10 10 GLU C C 13 176.456 0.300 . 1 . . . . 10 GLU C . 11349 1
42 . 1 1 10 10 GLU CA C 13 57.703 0.300 . 1 . . . . 10 GLU CA . 11349 1
43 . 1 1 10 10 GLU CB C 13 32.247 0.300 . 1 . . . . 10 GLU CB . 11349 1
44 . 1 1 10 10 GLU CG C 13 34.436 0.300 . 1 . . . . 10 GLU CG . 11349 1
45 . 1 1 10 10 GLU N N 15 119.398 0.300 . 1 . . . . 10 GLU N . 11349 1
46 . 1 1 11 11 CYS H H 1 8.113 0.030 . 1 . . . . 11 CYS H . 11349 1
47 . 1 1 11 11 CYS HA H 1 4.892 0.030 . 1 . . . . 11 CYS HA . 11349 1
48 . 1 1 11 11 CYS HB2 H 1 3.350 0.030 . 2 . . . . 11 CYS HB2 . 11349 1
49 . 1 1 11 11 CYS HB3 H 1 3.061 0.030 . 2 . . . . 11 CYS HB3 . 11349 1
50 . 1 1 11 11 CYS C C 13 176.010 0.300 . 1 . . . . 11 CYS C . 11349 1
51 . 1 1 11 11 CYS CA C 13 59.429 0.300 . 1 . . . . 11 CYS CA . 11349 1
52 . 1 1 11 11 CYS CB C 13 31.156 0.300 . 1 . . . . 11 CYS CB . 11349 1
53 . 1 1 11 11 CYS N N 15 116.767 0.300 . 1 . . . . 11 CYS N . 11349 1
54 . 1 1 12 12 LYS H H 1 7.733 0.030 . 1 . . . . 12 LYS H . 11349 1
55 . 1 1 12 12 LYS HA H 1 4.133 0.030 . 1 . . . . 12 LYS HA . 11349 1
56 . 1 1 12 12 LYS HB2 H 1 2.250 0.030 . 2 . . . . 12 LYS HB2 . 11349 1
57 . 1 1 12 12 LYS HB3 H 1 1.983 0.030 . 2 . . . . 12 LYS HB3 . 11349 1
58 . 1 1 12 12 LYS HD2 H 1 1.551 0.030 . 2 . . . . 12 LYS HD2 . 11349 1
59 . 1 1 12 12 LYS HD3 H 1 1.490 0.030 . 2 . . . . 12 LYS HD3 . 11349 1
60 . 1 1 12 12 LYS HE2 H 1 2.974 0.030 . 2 . . . . 12 LYS HE2 . 11349 1
61 . 1 1 12 12 LYS HE3 H 1 2.911 0.030 . 2 . . . . 12 LYS HE3 . 11349 1
62 . 1 1 12 12 LYS HG2 H 1 1.350 0.030 . 2 . . . . 12 LYS HG2 . 11349 1
63 . 1 1 12 12 LYS HG3 H 1 1.190 0.030 . 2 . . . . 12 LYS HG3 . 11349 1
64 . 1 1 12 12 LYS C C 13 175.935 0.300 . 1 . . . . 12 LYS C . 11349 1
65 . 1 1 12 12 LYS CA C 13 57.294 0.300 . 1 . . . . 12 LYS CA . 11349 1
66 . 1 1 12 12 LYS CB C 13 28.798 0.300 . 1 . . . . 12 LYS CB . 11349 1
67 . 1 1 12 12 LYS CD C 13 28.304 0.300 . 1 . . . . 12 LYS CD . 11349 1
68 . 1 1 12 12 LYS CE C 13 42.800 0.300 . 1 . . . . 12 LYS CE . 11349 1
69 . 1 1 12 12 LYS CG C 13 24.885 0.300 . 1 . . . . 12 LYS CG . 11349 1
70 . 1 1 12 12 LYS N N 15 115.059 0.300 . 1 . . . . 12 LYS N . 11349 1
71 . 1 1 13 13 LYS H H 1 8.293 0.030 . 1 . . . . 13 LYS H . 11349 1
72 . 1 1 13 13 LYS HA H 1 4.689 0.030 . 1 . . . . 13 LYS HA . 11349 1
73 . 1 1 13 13 LYS HB2 H 1 2.083 0.030 . 1 . . . . 13 LYS HB2 . 11349 1
74 . 1 1 13 13 LYS HB3 H 1 2.083 0.030 . 1 . . . . 13 LYS HB3 . 11349 1
75 . 1 1 13 13 LYS HD2 H 1 1.701 0.030 . 1 . . . . 13 LYS HD2 . 11349 1
76 . 1 1 13 13 LYS HD3 H 1 1.701 0.030 . 1 . . . . 13 LYS HD3 . 11349 1
77 . 1 1 13 13 LYS HE2 H 1 3.027 0.030 . 1 . . . . 13 LYS HE2 . 11349 1
78 . 1 1 13 13 LYS HE3 H 1 3.027 0.030 . 1 . . . . 13 LYS HE3 . 11349 1
79 . 1 1 13 13 LYS HG2 H 1 1.615 0.030 . 2 . . . . 13 LYS HG2 . 11349 1
80 . 1 1 13 13 LYS HG3 H 1 1.489 0.030 . 2 . . . . 13 LYS HG3 . 11349 1
81 . 1 1 13 13 LYS C C 13 176.559 0.300 . 1 . . . . 13 LYS C . 11349 1
82 . 1 1 13 13 LYS CA C 13 55.443 0.300 . 1 . . . . 13 LYS CA . 11349 1
83 . 1 1 13 13 LYS CB C 13 34.324 0.300 . 1 . . . . 13 LYS CB . 11349 1
84 . 1 1 13 13 LYS CD C 13 28.873 0.300 . 1 . . . . 13 LYS CD . 11349 1
85 . 1 1 13 13 LYS CE C 13 42.439 0.300 . 1 . . . . 13 LYS CE . 11349 1
86 . 1 1 13 13 LYS CG C 13 25.469 0.300 . 1 . . . . 13 LYS CG . 11349 1
87 . 1 1 13 13 LYS N N 15 120.631 0.300 . 1 . . . . 13 LYS N . 11349 1
88 . 1 1 14 14 THR H H 1 8.311 0.030 . 1 . . . . 14 THR H . 11349 1
89 . 1 1 14 14 THR HA H 1 3.930 0.030 . 1 . . . . 14 THR HA . 11349 1
90 . 1 1 14 14 THR HB H 1 3.890 0.030 . 1 . . . . 14 THR HB . 11349 1
91 . 1 1 14 14 THR HG21 H 1 1.090 0.030 . 1 . . . . 14 THR HG2 . 11349 1
92 . 1 1 14 14 THR HG22 H 1 1.090 0.030 . 1 . . . . 14 THR HG2 . 11349 1
93 . 1 1 14 14 THR HG23 H 1 1.090 0.030 . 1 . . . . 14 THR HG2 . 11349 1
94 . 1 1 14 14 THR C C 13 174.379 0.300 . 1 . . . . 14 THR C . 11349 1
95 . 1 1 14 14 THR CA C 13 64.123 0.300 . 1 . . . . 14 THR CA . 11349 1
96 . 1 1 14 14 THR CB C 13 69.797 0.300 . 1 . . . . 14 THR CB . 11349 1
97 . 1 1 14 14 THR CG2 C 13 22.354 0.300 . 1 . . . . 14 THR CG2 . 11349 1
98 . 1 1 14 14 THR N N 15 116.313 0.300 . 1 . . . . 14 THR N . 11349 1
99 . 1 1 15 15 ILE H H 1 8.678 0.030 . 1 . . . . 15 ILE H . 11349 1
100 . 1 1 15 15 ILE HA H 1 4.042 0.030 . 1 . . . . 15 ILE HA . 11349 1
101 . 1 1 15 15 ILE HB H 1 1.522 0.030 . 1 . . . . 15 ILE HB . 11349 1
102 . 1 1 15 15 ILE HD11 H 1 0.239 0.030 . 1 . . . . 15 ILE HD1 . 11349 1
103 . 1 1 15 15 ILE HD12 H 1 0.239 0.030 . 1 . . . . 15 ILE HD1 . 11349 1
104 . 1 1 15 15 ILE HD13 H 1 0.239 0.030 . 1 . . . . 15 ILE HD1 . 11349 1
105 . 1 1 15 15 ILE HG12 H 1 1.129 0.030 . 2 . . . . 15 ILE HG12 . 11349 1
106 . 1 1 15 15 ILE HG13 H 1 -0.442 0.030 . 2 . . . . 15 ILE HG13 . 11349 1
107 . 1 1 15 15 ILE HG21 H 1 0.621 0.030 . 1 . . . . 15 ILE HG2 . 11349 1
108 . 1 1 15 15 ILE HG22 H 1 0.621 0.030 . 1 . . . . 15 ILE HG2 . 11349 1
109 . 1 1 15 15 ILE HG23 H 1 0.621 0.030 . 1 . . . . 15 ILE HG2 . 11349 1
110 . 1 1 15 15 ILE C C 13 175.462 0.300 . 1 . . . . 15 ILE C . 11349 1
111 . 1 1 15 15 ILE CA C 13 60.808 0.300 . 1 . . . . 15 ILE CA . 11349 1
112 . 1 1 15 15 ILE CB C 13 37.230 0.300 . 1 . . . . 15 ILE CB . 11349 1
113 . 1 1 15 15 ILE CD1 C 13 14.490 0.300 . 1 . . . . 15 ILE CD1 . 11349 1
114 . 1 1 15 15 ILE CG1 C 13 26.562 0.300 . 1 . . . . 15 ILE CG1 . 11349 1
115 . 1 1 15 15 ILE CG2 C 13 17.693 0.300 . 1 . . . . 15 ILE CG2 . 11349 1
116 . 1 1 15 15 ILE N N 15 128.094 0.300 . 1 . . . . 15 ILE N . 11349 1
117 . 1 1 16 16 MET H H 1 9.129 0.030 . 1 . . . . 16 MET H . 11349 1
118 . 1 1 16 16 MET HA H 1 4.609 0.030 . 1 . . . . 16 MET HA . 11349 1
119 . 1 1 16 16 MET HB2 H 1 2.099 0.030 . 2 . . . . 16 MET HB2 . 11349 1
120 . 1 1 16 16 MET HB3 H 1 2.000 0.030 . 2 . . . . 16 MET HB3 . 11349 1
121 . 1 1 16 16 MET HE1 H 1 2.130 0.030 . 1 . . . . 16 MET HE . 11349 1
122 . 1 1 16 16 MET HE2 H 1 2.130 0.030 . 1 . . . . 16 MET HE . 11349 1
123 . 1 1 16 16 MET HE3 H 1 2.130 0.030 . 1 . . . . 16 MET HE . 11349 1
124 . 1 1 16 16 MET HG2 H 1 2.769 0.030 . 2 . . . . 16 MET HG2 . 11349 1
125 . 1 1 16 16 MET HG3 H 1 2.572 0.030 . 2 . . . . 16 MET HG3 . 11349 1
126 . 1 1 16 16 MET C C 13 174.777 0.300 . 1 . . . . 16 MET C . 11349 1
127 . 1 1 16 16 MET CA C 13 53.886 0.300 . 1 . . . . 16 MET CA . 11349 1
128 . 1 1 16 16 MET CB C 13 30.777 0.300 . 1 . . . . 16 MET CB . 11349 1
129 . 1 1 16 16 MET CE C 13 16.942 0.300 . 1 . . . . 16 MET CE . 11349 1
130 . 1 1 16 16 MET CG C 13 32.509 0.300 . 1 . . . . 16 MET CG . 11349 1
131 . 1 1 16 16 MET N N 15 129.550 0.300 . 1 . . . . 16 MET N . 11349 1
132 . 1 1 17 17 PRO HA H 1 4.385 0.030 . 1 . . . . 17 PRO HA . 11349 1
133 . 1 1 17 17 PRO HB2 H 1 2.326 0.030 . 2 . . . . 17 PRO HB2 . 11349 1
134 . 1 1 17 17 PRO HB3 H 1 1.880 0.030 . 2 . . . . 17 PRO HB3 . 11349 1
135 . 1 1 17 17 PRO HD2 H 1 3.934 0.030 . 2 . . . . 17 PRO HD2 . 11349 1
136 . 1 1 17 17 PRO HD3 H 1 3.655 0.030 . 2 . . . . 17 PRO HD3 . 11349 1
137 . 1 1 17 17 PRO HG2 H 1 2.124 0.030 . 2 . . . . 17 PRO HG2 . 11349 1
138 . 1 1 17 17 PRO HG3 H 1 2.015 0.030 . 2 . . . . 17 PRO HG3 . 11349 1
139 . 1 1 17 17 PRO CA C 13 64.104 0.300 . 1 . . . . 17 PRO CA . 11349 1
140 . 1 1 17 17 PRO CB C 13 31.725 0.300 . 1 . . . . 17 PRO CB . 11349 1
141 . 1 1 17 17 PRO CD C 13 50.878 0.300 . 1 . . . . 17 PRO CD . 11349 1
142 . 1 1 17 17 PRO CG C 13 27.795 0.300 . 1 . . . . 17 PRO CG . 11349 1
143 . 1 1 18 18 GLY HA2 H 1 4.217 0.030 . 2 . . . . 18 GLY HA2 . 11349 1
144 . 1 1 18 18 GLY HA3 H 1 3.730 0.030 . 2 . . . . 18 GLY HA3 . 11349 1
145 . 1 1 18 18 GLY C C 13 174.626 0.300 . 1 . . . . 18 GLY C . 11349 1
146 . 1 1 18 18 GLY CA C 13 45.363 0.300 . 1 . . . . 18 GLY CA . 11349 1
147 . 1 1 19 19 THR H H 1 7.610 0.030 . 1 . . . . 19 THR H . 11349 1
148 . 1 1 19 19 THR HA H 1 4.530 0.030 . 1 . . . . 19 THR HA . 11349 1
149 . 1 1 19 19 THR HB H 1 4.319 0.030 . 1 . . . . 19 THR HB . 11349 1
150 . 1 1 19 19 THR HG21 H 1 1.328 0.030 . 1 . . . . 19 THR HG2 . 11349 1
151 . 1 1 19 19 THR HG22 H 1 1.328 0.030 . 1 . . . . 19 THR HG2 . 11349 1
152 . 1 1 19 19 THR HG23 H 1 1.328 0.030 . 1 . . . . 19 THR HG2 . 11349 1
153 . 1 1 19 19 THR C C 13 174.228 0.300 . 1 . . . . 19 THR C . 11349 1
154 . 1 1 19 19 THR CA C 13 61.264 0.300 . 1 . . . . 19 THR CA . 11349 1
155 . 1 1 19 19 THR CB C 13 70.633 0.300 . 1 . . . . 19 THR CB . 11349 1
156 . 1 1 19 19 THR CG2 C 13 22.172 0.300 . 1 . . . . 19 THR CG2 . 11349 1
157 . 1 1 19 19 THR N N 15 112.991 0.300 . 1 . . . . 19 THR N . 11349 1
158 . 1 1 20 20 ARG H H 1 8.739 0.030 . 1 . . . . 20 ARG H . 11349 1
159 . 1 1 20 20 ARG HA H 1 4.239 0.030 . 1 . . . . 20 ARG HA . 11349 1
160 . 1 1 20 20 ARG HB2 H 1 1.798 0.030 . 1 . . . . 20 ARG HB2 . 11349 1
161 . 1 1 20 20 ARG HB3 H 1 1.798 0.030 . 1 . . . . 20 ARG HB3 . 11349 1
162 . 1 1 20 20 ARG HD2 H 1 3.275 0.030 . 2 . . . . 20 ARG HD2 . 11349 1
163 . 1 1 20 20 ARG HD3 H 1 3.208 0.030 . 2 . . . . 20 ARG HD3 . 11349 1
164 . 1 1 20 20 ARG HG2 H 1 1.774 0.030 . 2 . . . . 20 ARG HG2 . 11349 1
165 . 1 1 20 20 ARG HG3 H 1 1.612 0.030 . 2 . . . . 20 ARG HG3 . 11349 1
166 . 1 1 20 20 ARG C C 13 175.921 0.300 . 1 . . . . 20 ARG C . 11349 1
167 . 1 1 20 20 ARG CA C 13 57.742 0.300 . 1 . . . . 20 ARG CA . 11349 1
168 . 1 1 20 20 ARG CB C 13 30.317 0.300 . 1 . . . . 20 ARG CB . 11349 1
169 . 1 1 20 20 ARG CD C 13 43.134 0.300 . 1 . . . . 20 ARG CD . 11349 1
170 . 1 1 20 20 ARG CG C 13 27.839 0.300 . 1 . . . . 20 ARG CG . 11349 1
171 . 1 1 20 20 ARG N N 15 123.393 0.300 . 1 . . . . 20 ARG N . 11349 1
172 . 1 1 21 21 LYS H H 1 8.682 0.030 . 1 . . . . 21 LYS H . 11349 1
173 . 1 1 21 21 LYS HA H 1 5.129 0.030 . 1 . . . . 21 LYS HA . 11349 1
174 . 1 1 21 21 LYS HB2 H 1 1.699 0.030 . 1 . . . . 21 LYS HB2 . 11349 1
175 . 1 1 21 21 LYS HB3 H 1 1.699 0.030 . 1 . . . . 21 LYS HB3 . 11349 1
176 . 1 1 21 21 LYS HD2 H 1 1.540 0.030 . 2 . . . . 21 LYS HD2 . 11349 1
177 . 1 1 21 21 LYS HD3 H 1 1.471 0.030 . 2 . . . . 21 LYS HD3 . 11349 1
178 . 1 1 21 21 LYS HE2 H 1 2.855 0.030 . 1 . . . . 21 LYS HE2 . 11349 1
179 . 1 1 21 21 LYS HE3 H 1 2.855 0.030 . 1 . . . . 21 LYS HE3 . 11349 1
180 . 1 1 21 21 LYS HG2 H 1 1.180 0.030 . 2 . . . . 21 LYS HG2 . 11349 1
181 . 1 1 21 21 LYS HG3 H 1 1.391 0.030 . 2 . . . . 21 LYS HG3 . 11349 1
182 . 1 1 21 21 LYS C C 13 174.475 0.300 . 1 . . . . 21 LYS C . 11349 1
183 . 1 1 21 21 LYS CA C 13 54.360 0.300 . 1 . . . . 21 LYS CA . 11349 1
184 . 1 1 21 21 LYS CB C 13 36.304 0.300 . 1 . . . . 21 LYS CB . 11349 1
185 . 1 1 21 21 LYS CD C 13 29.897 0.300 . 1 . . . . 21 LYS CD . 11349 1
186 . 1 1 21 21 LYS CE C 13 42.125 0.300 . 1 . . . . 21 LYS CE . 11349 1
187 . 1 1 21 21 LYS CG C 13 23.499 0.300 . 1 . . . . 21 LYS CG . 11349 1
188 . 1 1 21 21 LYS N N 15 123.675 0.300 . 1 . . . . 21 LYS N . 11349 1
189 . 1 1 22 22 MET H H 1 8.871 0.030 . 1 . . . . 22 MET H . 11349 1
190 . 1 1 22 22 MET HA H 1 4.767 0.030 . 1 . . . . 22 MET HA . 11349 1
191 . 1 1 22 22 MET HB2 H 1 1.353 0.030 . 2 . . . . 22 MET HB2 . 11349 1
192 . 1 1 22 22 MET HB3 H 1 1.313 0.030 . 2 . . . . 22 MET HB3 . 11349 1
193 . 1 1 22 22 MET HE1 H 1 1.709 0.030 . 1 . . . . 22 MET HE . 11349 1
194 . 1 1 22 22 MET HE2 H 1 1.709 0.030 . 1 . . . . 22 MET HE . 11349 1
195 . 1 1 22 22 MET HE3 H 1 1.709 0.030 . 1 . . . . 22 MET HE . 11349 1
196 . 1 1 22 22 MET HG2 H 1 1.826 0.030 . 2 . . . . 22 MET HG2 . 11349 1
197 . 1 1 22 22 MET HG3 H 1 1.360 0.030 . 2 . . . . 22 MET HG3 . 11349 1
198 . 1 1 22 22 MET C C 13 174.427 0.300 . 1 . . . . 22 MET C . 11349 1
199 . 1 1 22 22 MET CA C 13 53.316 0.300 . 1 . . . . 22 MET CA . 11349 1
200 . 1 1 22 22 MET CB C 13 33.860 0.300 . 1 . . . . 22 MET CB . 11349 1
201 . 1 1 22 22 MET CE C 13 17.154 0.300 . 1 . . . . 22 MET CE . 11349 1
202 . 1 1 22 22 MET CG C 13 31.827 0.300 . 1 . . . . 22 MET CG . 11349 1
203 . 1 1 22 22 MET N N 15 121.319 0.300 . 1 . . . . 22 MET N . 11349 1
204 . 1 1 23 23 GLU H H 1 8.411 0.030 . 1 . . . . 23 GLU H . 11349 1
205 . 1 1 23 23 GLU HA H 1 5.470 0.030 . 1 . . . . 23 GLU HA . 11349 1
206 . 1 1 23 23 GLU HB2 H 1 2.000 0.030 . 2 . . . . 23 GLU HB2 . 11349 1
207 . 1 1 23 23 GLU HB3 H 1 1.849 0.030 . 2 . . . . 23 GLU HB3 . 11349 1
208 . 1 1 23 23 GLU HG2 H 1 2.144 0.030 . 2 . . . . 23 GLU HG2 . 11349 1
209 . 1 1 23 23 GLU HG3 H 1 2.087 0.030 . 2 . . . . 23 GLU HG3 . 11349 1
210 . 1 1 23 23 GLU C C 13 175.263 0.300 . 1 . . . . 23 GLU C . 11349 1
211 . 1 1 23 23 GLU CA C 13 54.982 0.300 . 1 . . . . 23 GLU CA . 11349 1
212 . 1 1 23 23 GLU CB C 13 33.183 0.300 . 1 . . . . 23 GLU CB . 11349 1
213 . 1 1 23 23 GLU CG C 13 36.627 0.300 . 1 . . . . 23 GLU CG . 11349 1
214 . 1 1 23 23 GLU N N 15 123.665 0.300 . 1 . . . . 23 GLU N . 11349 1
215 . 1 1 24 24 TYR H H 1 8.900 0.030 . 1 . . . . 24 TYR H . 11349 1
216 . 1 1 24 24 TYR HA H 1 4.734 0.030 . 1 . . . . 24 TYR HA . 11349 1
217 . 1 1 24 24 TYR HB2 H 1 3.029 0.030 . 2 . . . . 24 TYR HB2 . 11349 1
218 . 1 1 24 24 TYR HB3 H 1 2.987 0.030 . 2 . . . . 24 TYR HB3 . 11349 1
219 . 1 1 24 24 TYR HD1 H 1 7.330 0.030 . 1 . . . . 24 TYR HD1 . 11349 1
220 . 1 1 24 24 TYR HD2 H 1 7.330 0.030 . 1 . . . . 24 TYR HD2 . 11349 1
221 . 1 1 24 24 TYR HE1 H 1 6.941 0.030 . 1 . . . . 24 TYR HE1 . 11349 1
222 . 1 1 24 24 TYR HE2 H 1 6.941 0.030 . 1 . . . . 24 TYR HE2 . 11349 1
223 . 1 1 24 24 TYR C C 13 174.365 0.300 . 1 . . . . 24 TYR C . 11349 1
224 . 1 1 24 24 TYR CA C 13 58.860 0.300 . 1 . . . . 24 TYR CA . 11349 1
225 . 1 1 24 24 TYR CB C 13 40.963 0.300 . 1 . . . . 24 TYR CB . 11349 1
226 . 1 1 24 24 TYR CD1 C 13 133.380 0.300 . 1 . . . . 24 TYR CD1 . 11349 1
227 . 1 1 24 24 TYR CD2 C 13 133.380 0.300 . 1 . . . . 24 TYR CD2 . 11349 1
228 . 1 1 24 24 TYR CE1 C 13 118.623 0.300 . 1 . . . . 24 TYR CE1 . 11349 1
229 . 1 1 24 24 TYR CE2 C 13 118.623 0.300 . 1 . . . . 24 TYR CE2 . 11349 1
230 . 1 1 24 24 TYR N N 15 123.200 0.300 . 1 . . . . 24 TYR N . 11349 1
231 . 1 1 25 25 LYS H H 1 9.149 0.030 . 1 . . . . 25 LYS H . 11349 1
232 . 1 1 25 25 LYS HA H 1 3.623 0.030 . 1 . . . . 25 LYS HA . 11349 1
233 . 1 1 25 25 LYS HB2 H 1 1.803 0.030 . 2 . . . . 25 LYS HB2 . 11349 1
234 . 1 1 25 25 LYS HB3 H 1 1.343 0.030 . 2 . . . . 25 LYS HB3 . 11349 1
235 . 1 1 25 25 LYS HD2 H 1 1.500 0.030 . 1 . . . . 25 LYS HD2 . 11349 1
236 . 1 1 25 25 LYS HD3 H 1 1.500 0.030 . 1 . . . . 25 LYS HD3 . 11349 1
237 . 1 1 25 25 LYS HE2 H 1 2.917 0.030 . 1 . . . . 25 LYS HE2 . 11349 1
238 . 1 1 25 25 LYS HE3 H 1 2.917 0.030 . 1 . . . . 25 LYS HE3 . 11349 1
239 . 1 1 25 25 LYS HG2 H 1 0.801 0.030 . 2 . . . . 25 LYS HG2 . 11349 1
240 . 1 1 25 25 LYS HG3 H 1 0.591 0.030 . 2 . . . . 25 LYS HG3 . 11349 1
241 . 1 1 25 25 LYS C C 13 176.161 0.300 . 1 . . . . 25 LYS C . 11349 1
242 . 1 1 25 25 LYS CA C 13 57.290 0.300 . 1 . . . . 25 LYS CA . 11349 1
243 . 1 1 25 25 LYS CB C 13 30.736 0.300 . 1 . . . . 25 LYS CB . 11349 1
244 . 1 1 25 25 LYS CD C 13 29.442 0.300 . 1 . . . . 25 LYS CD . 11349 1
245 . 1 1 25 25 LYS CE C 13 42.230 0.300 . 1 . . . . 25 LYS CE . 11349 1
246 . 1 1 25 25 LYS CG C 13 25.162 0.300 . 1 . . . . 25 LYS CG . 11349 1
247 . 1 1 25 25 LYS N N 15 127.460 0.300 . 1 . . . . 25 LYS N . 11349 1
248 . 1 1 26 26 GLY H H 1 8.672 0.030 . 1 . . . . 26 GLY H . 11349 1
249 . 1 1 26 26 GLY HA2 H 1 4.161 0.030 . 2 . . . . 26 GLY HA2 . 11349 1
250 . 1 1 26 26 GLY HA3 H 1 3.630 0.030 . 2 . . . . 26 GLY HA3 . 11349 1
251 . 1 1 26 26 GLY C C 13 174.797 0.300 . 1 . . . . 26 GLY C . 11349 1
252 . 1 1 26 26 GLY CA C 13 45.655 0.300 . 1 . . . . 26 GLY CA . 11349 1
253 . 1 1 26 26 GLY N N 15 106.045 0.300 . 1 . . . . 26 GLY N . 11349 1
254 . 1 1 27 27 SER H H 1 8.041 0.030 . 1 . . . . 27 SER H . 11349 1
255 . 1 1 27 27 SER HA H 1 4.608 0.030 . 1 . . . . 27 SER HA . 11349 1
256 . 1 1 27 27 SER HB2 H 1 3.790 0.030 . 2 . . . . 27 SER HB2 . 11349 1
257 . 1 1 27 27 SER HB3 H 1 3.030 0.030 . 2 . . . . 27 SER HB3 . 11349 1
258 . 1 1 27 27 SER C C 13 172.118 0.300 . 1 . . . . 27 SER C . 11349 1
259 . 1 1 27 27 SER CA C 13 58.000 0.300 . 1 . . . . 27 SER CA . 11349 1
260 . 1 1 27 27 SER CB C 13 65.733 0.300 . 1 . . . . 27 SER CB . 11349 1
261 . 1 1 27 27 SER N N 15 118.277 0.300 . 1 . . . . 27 SER N . 11349 1
262 . 1 1 28 28 SER H H 1 8.420 0.030 . 1 . . . . 28 SER H . 11349 1
263 . 1 1 28 28 SER HA H 1 5.599 0.030 . 1 . . . . 28 SER HA . 11349 1
264 . 1 1 28 28 SER HB2 H 1 3.411 0.030 . 2 . . . . 28 SER HB2 . 11349 1
265 . 1 1 28 28 SER HB3 H 1 3.350 0.030 . 2 . . . . 28 SER HB3 . 11349 1
266 . 1 1 28 28 SER C C 13 171.597 0.300 . 1 . . . . 28 SER C . 11349 1
267 . 1 1 28 28 SER CA C 13 57.721 0.300 . 1 . . . . 28 SER CA . 11349 1
268 . 1 1 28 28 SER CB C 13 66.552 0.300 . 1 . . . . 28 SER CB . 11349 1
269 . 1 1 28 28 SER N N 15 117.001 0.300 . 1 . . . . 28 SER N . 11349 1
270 . 1 1 29 29 TRP H H 1 9.159 0.030 . 1 . . . . 29 TRP H . 11349 1
271 . 1 1 29 29 TRP HA H 1 5.881 0.030 . 1 . . . . 29 TRP HA . 11349 1
272 . 1 1 29 29 TRP HB2 H 1 3.468 0.030 . 2 . . . . 29 TRP HB2 . 11349 1
273 . 1 1 29 29 TRP HB3 H 1 2.680 0.030 . 2 . . . . 29 TRP HB3 . 11349 1
274 . 1 1 29 29 TRP HD1 H 1 7.099 0.030 . 1 . . . . 29 TRP HD1 . 11349 1
275 . 1 1 29 29 TRP HE1 H 1 10.929 0.030 . 1 . . . . 29 TRP HE1 . 11349 1
276 . 1 1 29 29 TRP HE3 H 1 7.306 0.030 . 1 . . . . 29 TRP HE3 . 11349 1
277 . 1 1 29 29 TRP HH2 H 1 7.367 0.030 . 1 . . . . 29 TRP HH2 . 11349 1
278 . 1 1 29 29 TRP HZ2 H 1 7.530 0.030 . 1 . . . . 29 TRP HZ2 . 11349 1
279 . 1 1 29 29 TRP HZ3 H 1 7.104 0.030 . 1 . . . . 29 TRP HZ3 . 11349 1
280 . 1 1 29 29 TRP C C 13 178.449 0.300 . 1 . . . . 29 TRP C . 11349 1
281 . 1 1 29 29 TRP CA C 13 56.941 0.300 . 1 . . . . 29 TRP CA . 11349 1
282 . 1 1 29 29 TRP CB C 13 35.505 0.300 . 1 . . . . 29 TRP CB . 11349 1
283 . 1 1 29 29 TRP CD1 C 13 126.779 0.300 . 1 . . . . 29 TRP CD1 . 11349 1
284 . 1 1 29 29 TRP CE3 C 13 121.693 0.300 . 1 . . . . 29 TRP CE3 . 11349 1
285 . 1 1 29 29 TRP CH2 C 13 124.300 0.300 . 1 . . . . 29 TRP CH2 . 11349 1
286 . 1 1 29 29 TRP CZ2 C 13 114.190 0.300 . 1 . . . . 29 TRP CZ2 . 11349 1
287 . 1 1 29 29 TRP CZ3 C 13 123.017 0.300 . 1 . . . . 29 TRP CZ3 . 11349 1
288 . 1 1 29 29 TRP N N 15 121.094 0.300 . 1 . . . . 29 TRP N . 11349 1
289 . 1 1 29 29 TRP NE1 N 15 129.957 0.300 . 1 . . . . 29 TRP NE1 . 11349 1
290 . 1 1 30 30 HIS H H 1 8.913 0.030 . 1 . . . . 30 HIS H . 11349 1
291 . 1 1 30 30 HIS HA H 1 4.521 0.030 . 1 . . . . 30 HIS HA . 11349 1
292 . 1 1 30 30 HIS HB2 H 1 3.690 0.030 . 2 . . . . 30 HIS HB2 . 11349 1
293 . 1 1 30 30 HIS HB3 H 1 3.589 0.030 . 2 . . . . 30 HIS HB3 . 11349 1
294 . 1 1 30 30 HIS HD2 H 1 7.609 0.030 . 1 . . . . 30 HIS HD2 . 11349 1
295 . 1 1 30 30 HIS HE1 H 1 7.224 0.030 . 1 . . . . 30 HIS HE1 . 11349 1
296 . 1 1 30 30 HIS C C 13 178.415 0.300 . 1 . . . . 30 HIS C . 11349 1
297 . 1 1 30 30 HIS CA C 13 60.075 0.300 . 1 . . . . 30 HIS CA . 11349 1
298 . 1 1 30 30 HIS CB C 13 30.794 0.300 . 1 . . . . 30 HIS CB . 11349 1
299 . 1 1 30 30 HIS CD2 C 13 119.692 0.300 . 1 . . . . 30 HIS CD2 . 11349 1
300 . 1 1 30 30 HIS CE1 C 13 138.567 0.300 . 1 . . . . 30 HIS CE1 . 11349 1
301 . 1 1 30 30 HIS N N 15 120.381 0.300 . 1 . . . . 30 HIS N . 11349 1
302 . 1 1 31 31 GLU H H 1 8.661 0.030 . 1 . . . . 31 GLU H . 11349 1
303 . 1 1 31 31 GLU HA H 1 3.860 0.030 . 1 . . . . 31 GLU HA . 11349 1
304 . 1 1 31 31 GLU HB2 H 1 2.080 0.030 . 2 . . . . 31 GLU HB2 . 11349 1
305 . 1 1 31 31 GLU HB3 H 1 1.880 0.030 . 2 . . . . 31 GLU HB3 . 11349 1
306 . 1 1 31 31 GLU HG2 H 1 2.233 0.030 . 2 . . . . 31 GLU HG2 . 11349 1
307 . 1 1 31 31 GLU HG3 H 1 2.149 0.030 . 2 . . . . 31 GLU HG3 . 11349 1
308 . 1 1 31 31 GLU C C 13 178.552 0.300 . 1 . . . . 31 GLU C . 11349 1
309 . 1 1 31 31 GLU CA C 13 61.410 0.300 . 1 . . . . 31 GLU CA . 11349 1
310 . 1 1 31 31 GLU CB C 13 29.848 0.300 . 1 . . . . 31 GLU CB . 11349 1
311 . 1 1 31 31 GLU CG C 13 36.596 0.300 . 1 . . . . 31 GLU CG . 11349 1
312 . 1 1 31 31 GLU N N 15 126.025 0.300 . 1 . . . . 31 GLU N . 11349 1
313 . 1 1 32 32 THR H H 1 7.988 0.030 . 1 . . . . 32 THR H . 11349 1
314 . 1 1 32 32 THR HA H 1 4.010 0.030 . 1 . . . . 32 THR HA . 11349 1
315 . 1 1 32 32 THR HB H 1 4.419 0.030 . 1 . . . . 32 THR HB . 11349 1
316 . 1 1 32 32 THR HG21 H 1 1.288 0.030 . 1 . . . . 32 THR HG2 . 11349 1
317 . 1 1 32 32 THR HG22 H 1 1.288 0.030 . 1 . . . . 32 THR HG2 . 11349 1
318 . 1 1 32 32 THR HG23 H 1 1.288 0.030 . 1 . . . . 32 THR HG2 . 11349 1
319 . 1 1 32 32 THR C C 13 176.959 0.300 . 1 . . . . 32 THR C . 11349 1
320 . 1 1 32 32 THR CA C 13 63.457 0.300 . 1 . . . . 32 THR CA . 11349 1
321 . 1 1 32 32 THR CB C 13 68.554 0.300 . 1 . . . . 32 THR CB . 11349 1
322 . 1 1 32 32 THR CG2 C 13 22.489 0.300 . 1 . . . . 32 THR CG2 . 11349 1
323 . 1 1 32 32 THR N N 15 104.548 0.300 . 1 . . . . 32 THR N . 11349 1
324 . 1 1 33 33 CYS H H 1 7.529 0.030 . 1 . . . . 33 CYS H . 11349 1
325 . 1 1 33 33 CYS HA H 1 4.390 0.030 . 1 . . . . 33 CYS HA . 11349 1
326 . 1 1 33 33 CYS HB2 H 1 3.489 0.030 . 2 . . . . 33 CYS HB2 . 11349 1
327 . 1 1 33 33 CYS HB3 H 1 3.250 0.030 . 2 . . . . 33 CYS HB3 . 11349 1
328 . 1 1 33 33 CYS C C 13 173.844 0.300 . 1 . . . . 33 CYS C . 11349 1
329 . 1 1 33 33 CYS CA C 13 60.652 0.300 . 1 . . . . 33 CYS CA . 11349 1
330 . 1 1 33 33 CYS CB C 13 31.971 0.300 . 1 . . . . 33 CYS CB . 11349 1
331 . 1 1 33 33 CYS N N 15 117.452 0.300 . 1 . . . . 33 CYS N . 11349 1
332 . 1 1 34 34 PHE H H 1 7.240 0.030 . 1 . . . . 34 PHE H . 11349 1
333 . 1 1 34 34 PHE HA H 1 4.139 0.030 . 1 . . . . 34 PHE HA . 11349 1
334 . 1 1 34 34 PHE HB2 H 1 3.129 0.030 . 2 . . . . 34 PHE HB2 . 11349 1
335 . 1 1 34 34 PHE HB3 H 1 2.211 0.030 . 2 . . . . 34 PHE HB3 . 11349 1
336 . 1 1 34 34 PHE HD1 H 1 5.850 0.030 . 1 . . . . 34 PHE HD1 . 11349 1
337 . 1 1 34 34 PHE HD2 H 1 5.850 0.030 . 1 . . . . 34 PHE HD2 . 11349 1
338 . 1 1 34 34 PHE HE1 H 1 5.621 0.030 . 1 . . . . 34 PHE HE1 . 11349 1
339 . 1 1 34 34 PHE HE2 H 1 5.621 0.030 . 1 . . . . 34 PHE HE2 . 11349 1
340 . 1 1 34 34 PHE HZ H 1 5.150 0.030 . 1 . . . . 34 PHE HZ . 11349 1
341 . 1 1 34 34 PHE C C 13 173.290 0.300 . 1 . . . . 34 PHE C . 11349 1
342 . 1 1 34 34 PHE CA C 13 57.125 0.300 . 1 . . . . 34 PHE CA . 11349 1
343 . 1 1 34 34 PHE CB C 13 37.173 0.300 . 1 . . . . 34 PHE CB . 11349 1
344 . 1 1 34 34 PHE CD1 C 13 130.963 0.300 . 1 . . . . 34 PHE CD1 . 11349 1
345 . 1 1 34 34 PHE CD2 C 13 130.963 0.300 . 1 . . . . 34 PHE CD2 . 11349 1
346 . 1 1 34 34 PHE CE1 C 13 130.278 0.300 . 1 . . . . 34 PHE CE1 . 11349 1
347 . 1 1 34 34 PHE CE2 C 13 130.278 0.300 . 1 . . . . 34 PHE CE2 . 11349 1
348 . 1 1 34 34 PHE CZ C 13 128.521 0.300 . 1 . . . . 34 PHE CZ . 11349 1
349 . 1 1 34 34 PHE N N 15 123.955 0.300 . 1 . . . . 34 PHE N . 11349 1
350 . 1 1 35 35 ILE H H 1 7.060 0.030 . 1 . . . . 35 ILE H . 11349 1
351 . 1 1 35 35 ILE HA H 1 4.400 0.030 . 1 . . . . 35 ILE HA . 11349 1
352 . 1 1 35 35 ILE HB H 1 1.099 0.030 . 1 . . . . 35 ILE HB . 11349 1
353 . 1 1 35 35 ILE HD11 H 1 0.598 0.030 . 1 . . . . 35 ILE HD1 . 11349 1
354 . 1 1 35 35 ILE HD12 H 1 0.598 0.030 . 1 . . . . 35 ILE HD1 . 11349 1
355 . 1 1 35 35 ILE HD13 H 1 0.598 0.030 . 1 . . . . 35 ILE HD1 . 11349 1
356 . 1 1 35 35 ILE HG12 H 1 0.741 0.030 . 1 . . . . 35 ILE HG12 . 11349 1
357 . 1 1 35 35 ILE HG13 H 1 0.741 0.030 . 1 . . . . 35 ILE HG13 . 11349 1
358 . 1 1 35 35 ILE HG21 H 1 0.423 0.030 . 1 . . . . 35 ILE HG2 . 11349 1
359 . 1 1 35 35 ILE HG22 H 1 0.423 0.030 . 1 . . . . 35 ILE HG2 . 11349 1
360 . 1 1 35 35 ILE HG23 H 1 0.423 0.030 . 1 . . . . 35 ILE HG2 . 11349 1
361 . 1 1 35 35 ILE C C 13 174.262 0.300 . 1 . . . . 35 ILE C . 11349 1
362 . 1 1 35 35 ILE CA C 13 58.577 0.300 . 1 . . . . 35 ILE CA . 11349 1
363 . 1 1 35 35 ILE CB C 13 41.911 0.300 . 1 . . . . 35 ILE CB . 11349 1
364 . 1 1 35 35 ILE CD1 C 13 13.471 0.300 . 1 . . . . 35 ILE CD1 . 11349 1
365 . 1 1 35 35 ILE CG1 C 13 24.634 0.300 . 1 . . . . 35 ILE CG1 . 11349 1
366 . 1 1 35 35 ILE CG2 C 13 17.152 0.300 . 1 . . . . 35 ILE CG2 . 11349 1
367 . 1 1 35 35 ILE N N 15 118.045 0.300 . 1 . . . . 35 ILE N . 11349 1
368 . 1 1 36 36 CYS H H 1 7.659 0.030 . 1 . . . . 36 CYS H . 11349 1
369 . 1 1 36 36 CYS HA H 1 4.139 0.030 . 1 . . . . 36 CYS HA . 11349 1
370 . 1 1 36 36 CYS HB2 H 1 3.382 0.030 . 2 . . . . 36 CYS HB2 . 11349 1
371 . 1 1 36 36 CYS HB3 H 1 2.591 0.030 . 2 . . . . 36 CYS HB3 . 11349 1
372 . 1 1 36 36 CYS C C 13 177.127 0.300 . 1 . . . . 36 CYS C . 11349 1
373 . 1 1 36 36 CYS CA C 13 57.809 0.300 . 1 . . . . 36 CYS CA . 11349 1
374 . 1 1 36 36 CYS CB C 13 31.407 0.300 . 1 . . . . 36 CYS CB . 11349 1
375 . 1 1 36 36 CYS N N 15 122.560 0.300 . 1 . . . . 36 CYS N . 11349 1
376 . 1 1 37 37 HIS H H 1 8.911 0.030 . 1 . . . . 37 HIS H . 11349 1
377 . 1 1 37 37 HIS HA H 1 4.064 0.030 . 1 . . . . 37 HIS HA . 11349 1
378 . 1 1 37 37 HIS HB2 H 1 2.663 0.030 . 2 . . . . 37 HIS HB2 . 11349 1
379 . 1 1 37 37 HIS HB3 H 1 2.602 0.030 . 2 . . . . 37 HIS HB3 . 11349 1
380 . 1 1 37 37 HIS HD2 H 1 7.051 0.030 . 1 . . . . 37 HIS HD2 . 11349 1
381 . 1 1 37 37 HIS HE1 H 1 7.847 0.030 . 1 . . . . 37 HIS HE1 . 11349 1
382 . 1 1 37 37 HIS C C 13 175.222 0.300 . 1 . . . . 37 HIS C . 11349 1
383 . 1 1 37 37 HIS CA C 13 60.292 0.300 . 1 . . . . 37 HIS CA . 11349 1
384 . 1 1 37 37 HIS CB C 13 30.685 0.300 . 1 . . . . 37 HIS CB . 11349 1
385 . 1 1 37 37 HIS CD2 C 13 118.928 0.300 . 1 . . . . 37 HIS CD2 . 11349 1
386 . 1 1 37 37 HIS CE1 C 13 138.103 0.300 . 1 . . . . 37 HIS CE1 . 11349 1
387 . 1 1 37 37 HIS N N 15 128.702 0.300 . 1 . . . . 37 HIS N . 11349 1
388 . 1 1 38 38 ARG H H 1 9.021 0.030 . 1 . . . . 38 ARG H . 11349 1
389 . 1 1 38 38 ARG HA H 1 4.539 0.030 . 1 . . . . 38 ARG HA . 11349 1
390 . 1 1 38 38 ARG HB2 H 1 2.509 0.030 . 2 . . . . 38 ARG HB2 . 11349 1
391 . 1 1 38 38 ARG HB3 H 1 1.892 0.030 . 2 . . . . 38 ARG HB3 . 11349 1
392 . 1 1 38 38 ARG HD2 H 1 3.288 0.030 . 2 . . . . 38 ARG HD2 . 11349 1
393 . 1 1 38 38 ARG HD3 H 1 3.248 0.030 . 2 . . . . 38 ARG HD3 . 11349 1
394 . 1 1 38 38 ARG HG2 H 1 1.667 0.030 . 1 . . . . 38 ARG HG2 . 11349 1
395 . 1 1 38 38 ARG HG3 H 1 1.667 0.030 . 1 . . . . 38 ARG HG3 . 11349 1
396 . 1 1 38 38 ARG C C 13 176.613 0.300 . 1 . . . . 38 ARG C . 11349 1
397 . 1 1 38 38 ARG CA C 13 58.345 0.300 . 1 . . . . 38 ARG CA . 11349 1
398 . 1 1 38 38 ARG CB C 13 30.255 0.300 . 1 . . . . 38 ARG CB . 11349 1
399 . 1 1 38 38 ARG CD C 13 42.811 0.300 . 1 . . . . 38 ARG CD . 11349 1
400 . 1 1 38 38 ARG CG C 13 28.111 0.300 . 1 . . . . 38 ARG CG . 11349 1
401 . 1 1 38 38 ARG N N 15 120.891 0.300 . 1 . . . . 38 ARG N . 11349 1
402 . 1 1 39 39 CYS H H 1 8.490 0.030 . 1 . . . . 39 CYS H . 11349 1
403 . 1 1 39 39 CYS HA H 1 4.705 0.030 . 1 . . . . 39 CYS HA . 11349 1
404 . 1 1 39 39 CYS HB2 H 1 3.240 0.030 . 2 . . . . 39 CYS HB2 . 11349 1
405 . 1 1 39 39 CYS HB3 H 1 2.740 0.030 . 2 . . . . 39 CYS HB3 . 11349 1
406 . 1 1 39 39 CYS C C 13 176.229 0.300 . 1 . . . . 39 CYS C . 11349 1
407 . 1 1 39 39 CYS CA C 13 59.916 0.300 . 1 . . . . 39 CYS CA . 11349 1
408 . 1 1 39 39 CYS CB C 13 31.863 0.300 . 1 . . . . 39 CYS CB . 11349 1
409 . 1 1 39 39 CYS N N 15 118.981 0.300 . 1 . . . . 39 CYS N . 11349 1
410 . 1 1 40 40 GLN H H 1 7.901 0.030 . 1 . . . . 40 GLN H . 11349 1
411 . 1 1 40 40 GLN HA H 1 4.019 0.030 . 1 . . . . 40 GLN HA . 11349 1
412 . 1 1 40 40 GLN HB2 H 1 2.330 0.030 . 2 . . . . 40 GLN HB2 . 11349 1
413 . 1 1 40 40 GLN HB3 H 1 2.261 0.030 . 2 . . . . 40 GLN HB3 . 11349 1
414 . 1 1 40 40 GLN HE21 H 1 7.065 0.030 . 2 . . . . 40 GLN HE21 . 11349 1
415 . 1 1 40 40 GLN HE22 H 1 6.600 0.030 . 2 . . . . 40 GLN HE22 . 11349 1
416 . 1 1 40 40 GLN HG2 H 1 2.140 0.030 . 2 . . . . 40 GLN HG2 . 11349 1
417 . 1 1 40 40 GLN HG3 H 1 2.009 0.030 . 2 . . . . 40 GLN HG3 . 11349 1
418 . 1 1 40 40 GLN C C 13 174.050 0.300 . 1 . . . . 40 GLN C . 11349 1
419 . 1 1 40 40 GLN CA C 13 57.472 0.300 . 1 . . . . 40 GLN CA . 11349 1
420 . 1 1 40 40 GLN CB C 13 25.556 0.300 . 1 . . . . 40 GLN CB . 11349 1
421 . 1 1 40 40 GLN CG C 13 34.132 0.300 . 1 . . . . 40 GLN CG . 11349 1
422 . 1 1 40 40 GLN N N 15 115.738 0.300 . 1 . . . . 40 GLN N . 11349 1
423 . 1 1 40 40 GLN NE2 N 15 112.847 0.300 . 1 . . . . 40 GLN NE2 . 11349 1
424 . 1 1 41 41 GLN H H 1 7.960 0.030 . 1 . . . . 41 GLN H . 11349 1
425 . 1 1 41 41 GLN HA H 1 4.688 0.030 . 1 . . . . 41 GLN HA . 11349 1
426 . 1 1 41 41 GLN HB2 H 1 2.076 0.030 . 2 . . . . 41 GLN HB2 . 11349 1
427 . 1 1 41 41 GLN HB3 H 1 2.047 0.030 . 2 . . . . 41 GLN HB3 . 11349 1
428 . 1 1 41 41 GLN HE21 H 1 7.450 0.030 . 2 . . . . 41 GLN HE21 . 11349 1
429 . 1 1 41 41 GLN HE22 H 1 6.898 0.030 . 2 . . . . 41 GLN HE22 . 11349 1
430 . 1 1 41 41 GLN HG2 H 1 2.427 0.030 . 2 . . . . 41 GLN HG2 . 11349 1
431 . 1 1 41 41 GLN HG3 H 1 2.398 0.030 . 2 . . . . 41 GLN HG3 . 11349 1
432 . 1 1 41 41 GLN C C 13 174.818 0.300 . 1 . . . . 41 GLN C . 11349 1
433 . 1 1 41 41 GLN CA C 13 53.321 0.300 . 1 . . . . 41 GLN CA . 11349 1
434 . 1 1 41 41 GLN CB C 13 28.437 0.300 . 1 . . . . 41 GLN CB . 11349 1
435 . 1 1 41 41 GLN CG C 13 33.932 0.300 . 1 . . . . 41 GLN CG . 11349 1
436 . 1 1 41 41 GLN N N 15 118.109 0.300 . 1 . . . . 41 GLN N . 11349 1
437 . 1 1 41 41 GLN NE2 N 15 113.683 0.300 . 1 . . . . 41 GLN NE2 . 11349 1
438 . 1 1 42 42 PRO HA H 1 4.367 0.030 . 1 . . . . 42 PRO HA . 11349 1
439 . 1 1 42 42 PRO HB2 H 1 2.301 0.030 . 2 . . . . 42 PRO HB2 . 11349 1
440 . 1 1 42 42 PRO HB3 H 1 1.826 0.030 . 2 . . . . 42 PRO HB3 . 11349 1
441 . 1 1 42 42 PRO HD2 H 1 3.858 0.030 . 2 . . . . 42 PRO HD2 . 11349 1
442 . 1 1 42 42 PRO HD3 H 1 3.619 0.030 . 2 . . . . 42 PRO HD3 . 11349 1
443 . 1 1 42 42 PRO HG2 H 1 2.127 0.030 . 2 . . . . 42 PRO HG2 . 11349 1
444 . 1 1 42 42 PRO HG3 H 1 1.930 0.030 . 2 . . . . 42 PRO HG3 . 11349 1
445 . 1 1 42 42 PRO C C 13 177.199 0.300 . 1 . . . . 42 PRO C . 11349 1
446 . 1 1 42 42 PRO CA C 13 63.341 0.300 . 1 . . . . 42 PRO CA . 11349 1
447 . 1 1 42 42 PRO CB C 13 31.707 0.300 . 1 . . . . 42 PRO CB . 11349 1
448 . 1 1 42 42 PRO CD C 13 50.802 0.300 . 1 . . . . 42 PRO CD . 11349 1
449 . 1 1 42 42 PRO CG C 13 27.782 0.300 . 1 . . . . 42 PRO CG . 11349 1
450 . 1 1 43 43 ILE H H 1 8.303 0.030 . 1 . . . . 43 ILE H . 11349 1
451 . 1 1 43 43 ILE HA H 1 3.674 0.030 . 1 . . . . 43 ILE HA . 11349 1
452 . 1 1 43 43 ILE HB H 1 1.240 0.030 . 1 . . . . 43 ILE HB . 11349 1
453 . 1 1 43 43 ILE HD11 H 1 -0.453 0.030 . 1 . . . . 43 ILE HD1 . 11349 1
454 . 1 1 43 43 ILE HD12 H 1 -0.453 0.030 . 1 . . . . 43 ILE HD1 . 11349 1
455 . 1 1 43 43 ILE HD13 H 1 -0.453 0.030 . 1 . . . . 43 ILE HD1 . 11349 1
456 . 1 1 43 43 ILE HG12 H 1 0.762 0.030 . 2 . . . . 43 ILE HG12 . 11349 1
457 . 1 1 43 43 ILE HG13 H 1 0.345 0.030 . 2 . . . . 43 ILE HG13 . 11349 1
458 . 1 1 43 43 ILE HG21 H 1 0.568 0.030 . 1 . . . . 43 ILE HG2 . 11349 1
459 . 1 1 43 43 ILE HG22 H 1 0.568 0.030 . 1 . . . . 43 ILE HG2 . 11349 1
460 . 1 1 43 43 ILE HG23 H 1 0.568 0.030 . 1 . . . . 43 ILE HG2 . 11349 1
461 . 1 1 43 43 ILE C C 13 177.380 0.300 . 1 . . . . 43 ILE C . 11349 1
462 . 1 1 43 43 ILE CA C 13 62.551 0.300 . 1 . . . . 43 ILE CA . 11349 1
463 . 1 1 43 43 ILE CB C 13 38.624 0.300 . 1 . . . . 43 ILE CB . 11349 1
464 . 1 1 43 43 ILE CD1 C 13 11.684 0.300 . 1 . . . . 43 ILE CD1 . 11349 1
465 . 1 1 43 43 ILE CG1 C 13 29.080 0.300 . 1 . . . . 43 ILE CG1 . 11349 1
466 . 1 1 43 43 ILE CG2 C 13 18.541 0.300 . 1 . . . . 43 ILE CG2 . 11349 1
467 . 1 1 43 43 ILE N N 15 125.311 0.300 . 1 . . . . 43 ILE N . 11349 1
468 . 1 1 44 44 GLY H H 1 8.740 0.030 . 1 . . . . 44 GLY H . 11349 1
469 . 1 1 44 44 GLY HA2 H 1 3.966 0.030 . 2 . . . . 44 GLY HA2 . 11349 1
470 . 1 1 44 44 GLY HA3 H 1 3.818 0.030 . 2 . . . . 44 GLY HA3 . 11349 1
471 . 1 1 44 44 GLY C C 13 175.243 0.300 . 1 . . . . 44 GLY C . 11349 1
472 . 1 1 44 44 GLY CA C 13 46.335 0.300 . 1 . . . . 44 GLY CA . 11349 1
473 . 1 1 44 44 GLY N N 15 108.786 0.300 . 1 . . . . 44 GLY N . 11349 1
474 . 1 1 45 45 THR H H 1 8.420 0.030 . 1 . . . . 45 THR H . 11349 1
475 . 1 1 45 45 THR HA H 1 4.390 0.030 . 1 . . . . 45 THR HA . 11349 1
476 . 1 1 45 45 THR HB H 1 4.580 0.030 . 1 . . . . 45 THR HB . 11349 1
477 . 1 1 45 45 THR HG21 H 1 1.180 0.030 . 1 . . . . 45 THR HG2 . 11349 1
478 . 1 1 45 45 THR HG22 H 1 1.180 0.030 . 1 . . . . 45 THR HG2 . 11349 1
479 . 1 1 45 45 THR HG23 H 1 1.180 0.030 . 1 . . . . 45 THR HG2 . 11349 1
480 . 1 1 45 45 THR C C 13 175.249 0.300 . 1 . . . . 45 THR C . 11349 1
481 . 1 1 45 45 THR CA C 13 61.611 0.300 . 1 . . . . 45 THR CA . 11349 1
482 . 1 1 45 45 THR CB C 13 68.628 0.300 . 1 . . . . 45 THR CB . 11349 1
483 . 1 1 45 45 THR CG2 C 13 21.769 0.300 . 1 . . . . 45 THR CG2 . 11349 1
484 . 1 1 45 45 THR N N 15 114.191 0.300 . 1 . . . . 45 THR N . 11349 1
485 . 1 1 46 46 LYS H H 1 7.839 0.030 . 1 . . . . 46 LYS H . 11349 1
486 . 1 1 46 46 LYS HA H 1 4.393 0.030 . 1 . . . . 46 LYS HA . 11349 1
487 . 1 1 46 46 LYS HB2 H 1 2.021 0.030 . 1 . . . . 46 LYS HB2 . 11349 1
488 . 1 1 46 46 LYS HB3 H 1 2.021 0.030 . 1 . . . . 46 LYS HB3 . 11349 1
489 . 1 1 46 46 LYS HD2 H 1 1.840 0.030 . 2 . . . . 46 LYS HD2 . 11349 1
490 . 1 1 46 46 LYS HD3 H 1 1.777 0.030 . 2 . . . . 46 LYS HD3 . 11349 1
491 . 1 1 46 46 LYS HE2 H 1 3.079 0.030 . 2 . . . . 46 LYS HE2 . 11349 1
492 . 1 1 46 46 LYS HE3 H 1 3.049 0.030 . 2 . . . . 46 LYS HE3 . 11349 1
493 . 1 1 46 46 LYS HG2 H 1 1.689 0.030 . 2 . . . . 46 LYS HG2 . 11349 1
494 . 1 1 46 46 LYS HG3 H 1 1.551 0.030 . 2 . . . . 46 LYS HG3 . 11349 1
495 . 1 1 46 46 LYS C C 13 176.024 0.300 . 1 . . . . 46 LYS C . 11349 1
496 . 1 1 46 46 LYS CA C 13 56.489 0.300 . 1 . . . . 46 LYS CA . 11349 1
497 . 1 1 46 46 LYS CB C 13 33.246 0.300 . 1 . . . . 46 LYS CB . 11349 1
498 . 1 1 46 46 LYS CD C 13 29.074 0.300 . 1 . . . . 46 LYS CD . 11349 1
499 . 1 1 46 46 LYS CE C 13 41.838 0.300 . 1 . . . . 46 LYS CE . 11349 1
500 . 1 1 46 46 LYS CG C 13 24.901 0.300 . 1 . . . . 46 LYS CG . 11349 1
501 . 1 1 46 46 LYS N N 15 121.383 0.300 . 1 . . . . 46 LYS N . 11349 1
502 . 1 1 47 47 SER H H 1 8.103 0.030 . 1 . . . . 47 SER H . 11349 1
503 . 1 1 47 47 SER HA H 1 4.453 0.030 . 1 . . . . 47 SER HA . 11349 1
504 . 1 1 47 47 SER HB2 H 1 3.780 0.030 . 2 . . . . 47 SER HB2 . 11349 1
505 . 1 1 47 47 SER HB3 H 1 3.720 0.030 . 2 . . . . 47 SER HB3 . 11349 1
506 . 1 1 47 47 SER C C 13 172.564 0.300 . 1 . . . . 47 SER C . 11349 1
507 . 1 1 47 47 SER CA C 13 58.965 0.300 . 1 . . . . 47 SER CA . 11349 1
508 . 1 1 47 47 SER CB C 13 63.775 0.300 . 1 . . . . 47 SER CB . 11349 1
509 . 1 1 47 47 SER N N 15 113.892 0.300 . 1 . . . . 47 SER N . 11349 1
510 . 1 1 48 48 PHE H H 1 7.790 0.030 . 1 . . . . 48 PHE H . 11349 1
511 . 1 1 48 48 PHE HA H 1 5.120 0.030 . 1 . . . . 48 PHE HA . 11349 1
512 . 1 1 48 48 PHE HB2 H 1 2.760 0.030 . 2 . . . . 48 PHE HB2 . 11349 1
513 . 1 1 48 48 PHE HB3 H 1 2.572 0.030 . 2 . . . . 48 PHE HB3 . 11349 1
514 . 1 1 48 48 PHE HD1 H 1 6.808 0.030 . 1 . . . . 48 PHE HD1 . 11349 1
515 . 1 1 48 48 PHE HD2 H 1 6.808 0.030 . 1 . . . . 48 PHE HD2 . 11349 1
516 . 1 1 48 48 PHE HE1 H 1 6.840 0.030 . 1 . . . . 48 PHE HE1 . 11349 1
517 . 1 1 48 48 PHE HE2 H 1 6.840 0.030 . 1 . . . . 48 PHE HE2 . 11349 1
518 . 1 1 48 48 PHE HZ H 1 6.298 0.030 . 1 . . . . 48 PHE HZ . 11349 1
519 . 1 1 48 48 PHE C C 13 172.755 0.300 . 1 . . . . 48 PHE C . 11349 1
520 . 1 1 48 48 PHE CA C 13 55.486 0.300 . 1 . . . . 48 PHE CA . 11349 1
521 . 1 1 48 48 PHE CB C 13 41.853 0.300 . 1 . . . . 48 PHE CB . 11349 1
522 . 1 1 48 48 PHE CD1 C 13 132.272 0.300 . 1 . . . . 48 PHE CD1 . 11349 1
523 . 1 1 48 48 PHE CD2 C 13 132.272 0.300 . 1 . . . . 48 PHE CD2 . 11349 1
524 . 1 1 48 48 PHE CE1 C 13 131.062 0.300 . 1 . . . . 48 PHE CE1 . 11349 1
525 . 1 1 48 48 PHE CE2 C 13 131.062 0.300 . 1 . . . . 48 PHE CE2 . 11349 1
526 . 1 1 48 48 PHE CZ C 13 129.558 0.300 . 1 . . . . 48 PHE CZ . 11349 1
527 . 1 1 48 48 PHE N N 15 117.825 0.300 . 1 . . . . 48 PHE N . 11349 1
528 . 1 1 49 49 ILE H H 1 9.479 0.030 . 1 . . . . 49 ILE H . 11349 1
529 . 1 1 49 49 ILE HA H 1 4.328 0.030 . 1 . . . . 49 ILE HA . 11349 1
530 . 1 1 49 49 ILE HB H 1 1.290 0.030 . 1 . . . . 49 ILE HB . 11349 1
531 . 1 1 49 49 ILE HD11 H 1 0.396 0.030 . 1 . . . . 49 ILE HD1 . 11349 1
532 . 1 1 49 49 ILE HD12 H 1 0.396 0.030 . 1 . . . . 49 ILE HD1 . 11349 1
533 . 1 1 49 49 ILE HD13 H 1 0.396 0.030 . 1 . . . . 49 ILE HD1 . 11349 1
534 . 1 1 49 49 ILE HG12 H 1 0.960 0.030 . 2 . . . . 49 ILE HG12 . 11349 1
535 . 1 1 49 49 ILE HG13 H 1 0.718 0.030 . 2 . . . . 49 ILE HG13 . 11349 1
536 . 1 1 49 49 ILE HG21 H 1 0.138 0.030 . 1 . . . . 49 ILE HG2 . 11349 1
537 . 1 1 49 49 ILE HG22 H 1 0.138 0.030 . 1 . . . . 49 ILE HG2 . 11349 1
538 . 1 1 49 49 ILE HG23 H 1 0.138 0.030 . 1 . . . . 49 ILE HG2 . 11349 1
539 . 1 1 49 49 ILE C C 13 174.159 0.300 . 1 . . . . 49 ILE C . 11349 1
540 . 1 1 49 49 ILE CA C 13 57.417 0.300 . 1 . . . . 49 ILE CA . 11349 1
541 . 1 1 49 49 ILE CB C 13 41.158 0.300 . 1 . . . . 49 ILE CB . 11349 1
542 . 1 1 49 49 ILE CD1 C 13 12.887 0.300 . 1 . . . . 49 ILE CD1 . 11349 1
543 . 1 1 49 49 ILE CG1 C 13 27.208 0.300 . 1 . . . . 49 ILE CG1 . 11349 1
544 . 1 1 49 49 ILE CG2 C 13 16.851 0.300 . 1 . . . . 49 ILE CG2 . 11349 1
545 . 1 1 49 49 ILE N N 15 122.302 0.300 . 1 . . . . 49 ILE N . 11349 1
546 . 1 1 50 50 PRO HA H 1 5.580 0.030 . 1 . . . . 50 PRO HA . 11349 1
547 . 1 1 50 50 PRO HB2 H 1 2.460 0.030 . 2 . . . . 50 PRO HB2 . 11349 1
548 . 1 1 50 50 PRO HB3 H 1 2.080 0.030 . 2 . . . . 50 PRO HB3 . 11349 1
549 . 1 1 50 50 PRO HD2 H 1 3.690 0.030 . 2 . . . . 50 PRO HD2 . 11349 1
550 . 1 1 50 50 PRO HD3 H 1 3.244 0.030 . 2 . . . . 50 PRO HD3 . 11349 1
551 . 1 1 50 50 PRO HG2 H 1 2.219 0.030 . 2 . . . . 50 PRO HG2 . 11349 1
552 . 1 1 50 50 PRO HG3 H 1 2.031 0.030 . 2 . . . . 50 PRO HG3 . 11349 1
553 . 1 1 50 50 PRO C C 13 177.350 0.300 . 1 . . . . 50 PRO C . 11349 1
554 . 1 1 50 50 PRO CA C 13 61.405 0.300 . 1 . . . . 50 PRO CA . 11349 1
555 . 1 1 50 50 PRO CB C 13 32.620 0.300 . 1 . . . . 50 PRO CB . 11349 1
556 . 1 1 50 50 PRO CD C 13 51.034 0.300 . 1 . . . . 50 PRO CD . 11349 1
557 . 1 1 50 50 PRO CG C 13 26.588 0.300 . 1 . . . . 50 PRO CG . 11349 1
558 . 1 1 51 51 LYS H H 1 9.221 0.030 . 1 . . . . 51 LYS H . 11349 1
559 . 1 1 51 51 LYS HA H 1 4.481 0.030 . 1 . . . . 51 LYS HA . 11349 1
560 . 1 1 51 51 LYS HB2 H 1 1.981 0.030 . 2 . . . . 51 LYS HB2 . 11349 1
561 . 1 1 51 51 LYS HB3 H 1 1.781 0.030 . 2 . . . . 51 LYS HB3 . 11349 1
562 . 1 1 51 51 LYS HD2 H 1 1.654 0.030 . 2 . . . . 51 LYS HD2 . 11349 1
563 . 1 1 51 51 LYS HD3 H 1 1.521 0.030 . 2 . . . . 51 LYS HD3 . 11349 1
564 . 1 1 51 51 LYS HE2 H 1 2.917 0.030 . 1 . . . . 51 LYS HE2 . 11349 1
565 . 1 1 51 51 LYS HE3 H 1 2.917 0.030 . 1 . . . . 51 LYS HE3 . 11349 1
566 . 1 1 51 51 LYS HG2 H 1 1.441 0.030 . 2 . . . . 51 LYS HG2 . 11349 1
567 . 1 1 51 51 LYS HG3 H 1 1.303 0.030 . 2 . . . . 51 LYS HG3 . 11349 1
568 . 1 1 51 51 LYS C C 13 175.613 0.300 . 1 . . . . 51 LYS C . 11349 1
569 . 1 1 51 51 LYS CA C 13 56.202 0.300 . 1 . . . . 51 LYS CA . 11349 1
570 . 1 1 51 51 LYS CB C 13 34.903 0.300 . 1 . . . . 51 LYS CB . 11349 1
571 . 1 1 51 51 LYS CD C 13 29.107 0.300 . 1 . . . . 51 LYS CD . 11349 1
572 . 1 1 51 51 LYS CE C 13 42.230 0.300 . 1 . . . . 51 LYS CE . 11349 1
573 . 1 1 51 51 LYS CG C 13 24.879 0.300 . 1 . . . . 51 LYS CG . 11349 1
574 . 1 1 51 51 LYS N N 15 124.236 0.300 . 1 . . . . 51 LYS N . 11349 1
575 . 1 1 52 52 ASP H H 1 9.322 0.030 . 1 . . . . 52 ASP H . 11349 1
576 . 1 1 52 52 ASP HA H 1 4.251 0.030 . 1 . . . . 52 ASP HA . 11349 1
577 . 1 1 52 52 ASP HB2 H 1 2.882 0.030 . 2 . . . . 52 ASP HB2 . 11349 1
578 . 1 1 52 52 ASP HB3 H 1 2.849 0.030 . 2 . . . . 52 ASP HB3 . 11349 1
579 . 1 1 52 52 ASP C C 13 176.046 0.300 . 1 . . . . 52 ASP C . 11349 1
580 . 1 1 52 52 ASP CA C 13 56.434 0.300 . 1 . . . . 52 ASP CA . 11349 1
581 . 1 1 52 52 ASP CB C 13 39.469 0.300 . 1 . . . . 52 ASP CB . 11349 1
582 . 1 1 52 52 ASP N N 15 127.556 0.300 . 1 . . . . 52 ASP N . 11349 1
583 . 1 1 53 53 ASN H H 1 8.652 0.030 . 1 . . . . 53 ASN H . 11349 1
584 . 1 1 53 53 ASN HA H 1 4.582 0.030 . 1 . . . . 53 ASN HA . 11349 1
585 . 1 1 53 53 ASN HB2 H 1 3.025 0.030 . 1 . . . . 53 ASN HB2 . 11349 1
586 . 1 1 53 53 ASN HB3 H 1 3.025 0.030 . 1 . . . . 53 ASN HB3 . 11349 1
587 . 1 1 53 53 ASN HD21 H 1 6.934 0.030 . 2 . . . . 53 ASN HD21 . 11349 1
588 . 1 1 53 53 ASN HD22 H 1 7.599 0.030 . 2 . . . . 53 ASN HD22 . 11349 1
589 . 1 1 53 53 ASN C C 13 174.132 0.300 . 1 . . . . 53 ASN C . 11349 1
590 . 1 1 53 53 ASN CA C 13 54.589 0.300 . 1 . . . . 53 ASN CA . 11349 1
591 . 1 1 53 53 ASN CB C 13 37.959 0.300 . 1 . . . . 53 ASN CB . 11349 1
592 . 1 1 53 53 ASN N N 15 114.226 0.300 . 1 . . . . 53 ASN N . 11349 1
593 . 1 1 53 53 ASN ND2 N 15 113.301 0.300 . 1 . . . . 53 ASN ND2 . 11349 1
594 . 1 1 54 54 GLN H H 1 7.971 0.030 . 1 . . . . 54 GLN H . 11349 1
595 . 1 1 54 54 GLN HA H 1 4.419 0.030 . 1 . . . . 54 GLN HA . 11349 1
596 . 1 1 54 54 GLN HB2 H 1 2.000 0.030 . 2 . . . . 54 GLN HB2 . 11349 1
597 . 1 1 54 54 GLN HB3 H 1 1.347 0.030 . 2 . . . . 54 GLN HB3 . 11349 1
598 . 1 1 54 54 GLN HE21 H 1 7.219 0.030 . 2 . . . . 54 GLN HE21 . 11349 1
599 . 1 1 54 54 GLN HE22 H 1 6.647 0.030 . 2 . . . . 54 GLN HE22 . 11349 1
600 . 1 1 54 54 GLN HG2 H 1 2.099 0.030 . 2 . . . . 54 GLN HG2 . 11349 1
601 . 1 1 54 54 GLN HG3 H 1 1.833 0.030 . 2 . . . . 54 GLN HG3 . 11349 1
602 . 1 1 54 54 GLN C C 13 173.427 0.300 . 1 . . . . 54 GLN C . 11349 1
603 . 1 1 54 54 GLN CA C 13 54.151 0.300 . 1 . . . . 54 GLN CA . 11349 1
604 . 1 1 54 54 GLN CB C 13 32.283 0.300 . 1 . . . . 54 GLN CB . 11349 1
605 . 1 1 54 54 GLN CG C 13 33.589 0.300 . 1 . . . . 54 GLN CG . 11349 1
606 . 1 1 54 54 GLN N N 15 118.792 0.300 . 1 . . . . 54 GLN N . 11349 1
607 . 1 1 54 54 GLN NE2 N 15 110.285 0.300 . 1 . . . . 54 GLN NE2 . 11349 1
608 . 1 1 55 55 ASN H H 1 9.078 0.030 . 1 . . . . 55 ASN H . 11349 1
609 . 1 1 55 55 ASN HA H 1 5.112 0.030 . 1 . . . . 55 ASN HA . 11349 1
610 . 1 1 55 55 ASN HB2 H 1 2.070 0.030 . 2 . . . . 55 ASN HB2 . 11349 1
611 . 1 1 55 55 ASN HB3 H 1 1.532 0.030 . 2 . . . . 55 ASN HB3 . 11349 1
612 . 1 1 55 55 ASN HD21 H 1 6.990 0.030 . 2 . . . . 55 ASN HD21 . 11349 1
613 . 1 1 55 55 ASN HD22 H 1 5.287 0.030 . 2 . . . . 55 ASN HD22 . 11349 1
614 . 1 1 55 55 ASN C C 13 175.712 0.300 . 1 . . . . 55 ASN C . 11349 1
615 . 1 1 55 55 ASN CA C 13 52.574 0.300 . 1 . . . . 55 ASN CA . 11349 1
616 . 1 1 55 55 ASN CB C 13 41.037 0.300 . 1 . . . . 55 ASN CB . 11349 1
617 . 1 1 55 55 ASN N N 15 120.166 0.300 . 1 . . . . 55 ASN N . 11349 1
618 . 1 1 55 55 ASN ND2 N 15 111.302 0.300 . 1 . . . . 55 ASN ND2 . 11349 1
619 . 1 1 56 56 PHE H H 1 8.286 0.030 . 1 . . . . 56 PHE H . 11349 1
620 . 1 1 56 56 PHE HA H 1 6.009 0.030 . 1 . . . . 56 PHE HA . 11349 1
621 . 1 1 56 56 PHE HB2 H 1 3.418 0.030 . 2 . . . . 56 PHE HB2 . 11349 1
622 . 1 1 56 56 PHE HB3 H 1 3.110 0.030 . 2 . . . . 56 PHE HB3 . 11349 1
623 . 1 1 56 56 PHE HD1 H 1 7.377 0.030 . 1 . . . . 56 PHE HD1 . 11349 1
624 . 1 1 56 56 PHE HD2 H 1 7.377 0.030 . 1 . . . . 56 PHE HD2 . 11349 1
625 . 1 1 56 56 PHE HE1 H 1 7.404 0.030 . 1 . . . . 56 PHE HE1 . 11349 1
626 . 1 1 56 56 PHE HE2 H 1 7.404 0.030 . 1 . . . . 56 PHE HE2 . 11349 1
627 . 1 1 56 56 PHE HZ H 1 7.402 0.030 . 1 . . . . 56 PHE HZ . 11349 1
628 . 1 1 56 56 PHE C C 13 176.476 0.300 . 1 . . . . 56 PHE C . 11349 1
629 . 1 1 56 56 PHE CA C 13 55.915 0.300 . 1 . . . . 56 PHE CA . 11349 1
630 . 1 1 56 56 PHE CB C 13 43.171 0.300 . 1 . . . . 56 PHE CB . 11349 1
631 . 1 1 56 56 PHE CD1 C 13 131.782 0.300 . 1 . . . . 56 PHE CD1 . 11349 1
632 . 1 1 56 56 PHE CD2 C 13 131.782 0.300 . 1 . . . . 56 PHE CD2 . 11349 1
633 . 1 1 56 56 PHE CE1 C 13 131.785 0.300 . 1 . . . . 56 PHE CE1 . 11349 1
634 . 1 1 56 56 PHE CE2 C 13 131.785 0.300 . 1 . . . . 56 PHE CE2 . 11349 1
635 . 1 1 56 56 PHE CZ C 13 130.090 0.300 . 1 . . . . 56 PHE CZ . 11349 1
636 . 1 1 56 56 PHE N N 15 118.430 0.300 . 1 . . . . 56 PHE N . 11349 1
637 . 1 1 57 57 CYS H H 1 9.945 0.030 . 1 . . . . 57 CYS H . 11349 1
638 . 1 1 57 57 CYS HA H 1 4.845 0.030 . 1 . . . . 57 CYS HA . 11349 1
639 . 1 1 57 57 CYS HB2 H 1 3.481 0.030 . 2 . . . . 57 CYS HB2 . 11349 1
640 . 1 1 57 57 CYS HB3 H 1 2.969 0.030 . 2 . . . . 57 CYS HB3 . 11349 1
641 . 1 1 57 57 CYS C C 13 174.639 0.300 . 1 . . . . 57 CYS C . 11349 1
642 . 1 1 57 57 CYS CA C 13 58.462 0.300 . 1 . . . . 57 CYS CA . 11349 1
643 . 1 1 57 57 CYS CB C 13 29.856 0.300 . 1 . . . . 57 CYS CB . 11349 1
644 . 1 1 57 57 CYS N N 15 123.718 0.300 . 1 . . . . 57 CYS N . 11349 1
645 . 1 1 58 58 VAL H H 1 8.752 0.030 . 1 . . . . 58 VAL H . 11349 1
646 . 1 1 58 58 VAL HA H 1 3.731 0.030 . 1 . . . . 58 VAL HA . 11349 1
647 . 1 1 58 58 VAL HB H 1 2.247 0.030 . 1 . . . . 58 VAL HB . 11349 1
648 . 1 1 58 58 VAL HG11 H 1 0.850 0.030 . 1 . . . . 58 VAL HG1 . 11349 1
649 . 1 1 58 58 VAL HG12 H 1 0.850 0.030 . 1 . . . . 58 VAL HG1 . 11349 1
650 . 1 1 58 58 VAL HG13 H 1 0.850 0.030 . 1 . . . . 58 VAL HG1 . 11349 1
651 . 1 1 58 58 VAL HG21 H 1 0.945 0.030 . 1 . . . . 58 VAL HG2 . 11349 1
652 . 1 1 58 58 VAL HG22 H 1 0.945 0.030 . 1 . . . . 58 VAL HG2 . 11349 1
653 . 1 1 58 58 VAL HG23 H 1 0.945 0.030 . 1 . . . . 58 VAL HG2 . 11349 1
654 . 1 1 58 58 VAL C C 13 175.669 0.300 . 1 . . . . 58 VAL C . 11349 1
655 . 1 1 58 58 VAL CA C 13 69.258 0.300 . 1 . . . . 58 VAL CA . 11349 1
656 . 1 1 58 58 VAL CB C 13 29.119 0.300 . 1 . . . . 58 VAL CB . 11349 1
657 . 1 1 58 58 VAL CG1 C 13 23.308 0.300 . 2 . . . . 58 VAL CG1 . 11349 1
658 . 1 1 58 58 VAL CG2 C 13 21.401 0.300 . 2 . . . . 58 VAL CG2 . 11349 1
659 . 1 1 58 58 VAL N N 15 120.825 0.300 . 1 . . . . 58 VAL N . 11349 1
660 . 1 1 59 59 PRO HA H 1 4.377 0.030 . 1 . . . . 59 PRO HA . 11349 1
661 . 1 1 59 59 PRO HB2 H 1 2.290 0.030 . 2 . . . . 59 PRO HB2 . 11349 1
662 . 1 1 59 59 PRO HB3 H 1 2.011 0.030 . 2 . . . . 59 PRO HB3 . 11349 1
663 . 1 1 59 59 PRO HD2 H 1 4.272 0.030 . 2 . . . . 59 PRO HD2 . 11349 1
664 . 1 1 59 59 PRO HD3 H 1 3.750 0.030 . 2 . . . . 59 PRO HD3 . 11349 1
665 . 1 1 59 59 PRO HG2 H 1 2.251 0.030 . 2 . . . . 59 PRO HG2 . 11349 1
666 . 1 1 59 59 PRO HG3 H 1 1.966 0.030 . 2 . . . . 59 PRO HG3 . 11349 1
667 . 1 1 59 59 PRO C C 13 170.658 0.300 . 1 . . . . 59 PRO C . 11349 1
668 . 1 1 59 59 PRO CA C 13 66.305 0.300 . 1 . . . . 59 PRO CA . 11349 1
669 . 1 1 59 59 PRO CB C 13 31.133 0.300 . 1 . . . . 59 PRO CB . 11349 1
670 . 1 1 59 59 PRO CD C 13 49.729 0.300 . 1 . . . . 59 PRO CD . 11349 1
671 . 1 1 59 59 PRO CG C 13 28.708 0.300 . 1 . . . . 59 PRO CG . 11349 1
672 . 1 1 60 60 CYS H H 1 8.450 0.030 . 1 . . . . 60 CYS H . 11349 1
673 . 1 1 60 60 CYS HA H 1 3.912 0.030 . 1 . . . . 60 CYS HA . 11349 1
674 . 1 1 60 60 CYS HB2 H 1 3.500 0.030 . 2 . . . . 60 CYS HB2 . 11349 1
675 . 1 1 60 60 CYS HB3 H 1 2.794 0.030 . 2 . . . . 60 CYS HB3 . 11349 1
676 . 1 1 60 60 CYS C C 13 178.024 0.300 . 1 . . . . 60 CYS C . 11349 1
677 . 1 1 60 60 CYS CA C 13 65.824 0.300 . 1 . . . . 60 CYS CA . 11349 1
678 . 1 1 60 60 CYS CB C 13 31.081 0.300 . 1 . . . . 60 CYS CB . 11349 1
679 . 1 1 60 60 CYS N N 15 118.779 0.300 . 1 . . . . 60 CYS N . 11349 1
680 . 1 1 61 61 TYR H H 1 9.013 0.030 . 1 . . . . 61 TYR H . 11349 1
681 . 1 1 61 61 TYR HA H 1 3.598 0.030 . 1 . . . . 61 TYR HA . 11349 1
682 . 1 1 61 61 TYR HB2 H 1 3.181 0.030 . 2 . . . . 61 TYR HB2 . 11349 1
683 . 1 1 61 61 TYR HB3 H 1 2.990 0.030 . 2 . . . . 61 TYR HB3 . 11349 1
684 . 1 1 61 61 TYR HD1 H 1 6.711 0.030 . 1 . . . . 61 TYR HD1 . 11349 1
685 . 1 1 61 61 TYR HD2 H 1 6.711 0.030 . 1 . . . . 61 TYR HD2 . 11349 1
686 . 1 1 61 61 TYR HE1 H 1 6.489 0.030 . 1 . . . . 61 TYR HE1 . 11349 1
687 . 1 1 61 61 TYR HE2 H 1 6.489 0.030 . 1 . . . . 61 TYR HE2 . 11349 1
688 . 1 1 61 61 TYR C C 13 178.394 0.300 . 1 . . . . 61 TYR C . 11349 1
689 . 1 1 61 61 TYR CA C 13 62.702 0.300 . 1 . . . . 61 TYR CA . 11349 1
690 . 1 1 61 61 TYR CB C 13 38.969 0.300 . 1 . . . . 61 TYR CB . 11349 1
691 . 1 1 61 61 TYR CD1 C 13 133.115 0.300 . 1 . . . . 61 TYR CD1 . 11349 1
692 . 1 1 61 61 TYR CD2 C 13 133.115 0.300 . 1 . . . . 61 TYR CD2 . 11349 1
693 . 1 1 61 61 TYR CE1 C 13 118.428 0.300 . 1 . . . . 61 TYR CE1 . 11349 1
694 . 1 1 61 61 TYR CE2 C 13 118.428 0.300 . 1 . . . . 61 TYR CE2 . 11349 1
695 . 1 1 61 61 TYR N N 15 122.378 0.300 . 1 . . . . 61 TYR N . 11349 1
696 . 1 1 62 62 GLU H H 1 8.541 0.030 . 1 . . . . 62 GLU H . 11349 1
697 . 1 1 62 62 GLU HA H 1 3.890 0.030 . 1 . . . . 62 GLU HA . 11349 1
698 . 1 1 62 62 GLU HB2 H 1 2.110 0.030 . 2 . . . . 62 GLU HB2 . 11349 1
699 . 1 1 62 62 GLU HB3 H 1 2.004 0.030 . 2 . . . . 62 GLU HB3 . 11349 1
700 . 1 1 62 62 GLU HG2 H 1 2.549 0.030 . 2 . . . . 62 GLU HG2 . 11349 1
701 . 1 1 62 62 GLU HG3 H 1 2.239 0.030 . 2 . . . . 62 GLU HG3 . 11349 1
702 . 1 1 62 62 GLU C C 13 178.731 0.300 . 1 . . . . 62 GLU C . 11349 1
703 . 1 1 62 62 GLU CA C 13 58.887 0.300 . 1 . . . . 62 GLU CA . 11349 1
704 . 1 1 62 62 GLU CB C 13 29.484 0.300 . 1 . . . . 62 GLU CB . 11349 1
705 . 1 1 62 62 GLU CG C 13 36.794 0.300 . 1 . . . . 62 GLU CG . 11349 1
706 . 1 1 62 62 GLU N N 15 117.713 0.300 . 1 . . . . 62 GLU N . 11349 1
707 . 1 1 63 63 LYS H H 1 7.549 0.030 . 1 . . . . 63 LYS H . 11349 1
708 . 1 1 63 63 LYS HA H 1 4.040 0.030 . 1 . . . . 63 LYS HA . 11349 1
709 . 1 1 63 63 LYS HB2 H 1 1.789 0.030 . 1 . . . . 63 LYS HB2 . 11349 1
710 . 1 1 63 63 LYS HB3 H 1 1.789 0.030 . 1 . . . . 63 LYS HB3 . 11349 1
711 . 1 1 63 63 LYS HD2 H 1 1.649 0.030 . 2 . . . . 63 LYS HD2 . 11349 1
712 . 1 1 63 63 LYS HD3 H 1 1.557 0.030 . 2 . . . . 63 LYS HD3 . 11349 1
713 . 1 1 63 63 LYS HE2 H 1 2.927 0.030 . 1 . . . . 63 LYS HE2 . 11349 1
714 . 1 1 63 63 LYS HE3 H 1 2.927 0.030 . 1 . . . . 63 LYS HE3 . 11349 1
715 . 1 1 63 63 LYS HG2 H 1 1.527 0.030 . 2 . . . . 63 LYS HG2 . 11349 1
716 . 1 1 63 63 LYS HG3 H 1 1.431 0.030 . 2 . . . . 63 LYS HG3 . 11349 1
717 . 1 1 63 63 LYS C C 13 178.075 0.300 . 1 . . . . 63 LYS C . 11349 1
718 . 1 1 63 63 LYS CA C 13 58.148 0.300 . 1 . . . . 63 LYS CA . 11349 1
719 . 1 1 63 63 LYS CB C 13 32.649 0.300 . 1 . . . . 63 LYS CB . 11349 1
720 . 1 1 63 63 LYS CD C 13 29.155 0.300 . 1 . . . . 63 LYS CD . 11349 1
721 . 1 1 63 63 LYS CE C 13 42.199 0.300 . 1 . . . . 63 LYS CE . 11349 1
722 . 1 1 63 63 LYS CG C 13 25.114 0.300 . 1 . . . . 63 LYS CG . 11349 1
723 . 1 1 63 63 LYS N N 15 118.018 0.300 . 1 . . . . 63 LYS N . 11349 1
724 . 1 1 64 64 GLN H H 1 7.754 0.030 . 1 . . . . 64 GLN H . 11349 1
725 . 1 1 64 64 GLN HA H 1 3.951 0.030 . 1 . . . . 64 GLN HA . 11349 1
726 . 1 1 64 64 GLN HB2 H 1 1.744 0.030 . 2 . . . . 64 GLN HB2 . 11349 1
727 . 1 1 64 64 GLN HB3 H 1 1.449 0.030 . 2 . . . . 64 GLN HB3 . 11349 1
728 . 1 1 64 64 GLN HE21 H 1 6.345 0.030 . 2 . . . . 64 GLN HE21 . 11349 1
729 . 1 1 64 64 GLN HE22 H 1 7.044 0.030 . 2 . . . . 64 GLN HE22 . 11349 1
730 . 1 1 64 64 GLN HG2 H 1 1.860 0.030 . 2 . . . . 64 GLN HG2 . 11349 1
731 . 1 1 64 64 GLN HG3 H 1 1.784 0.030 . 2 . . . . 64 GLN HG3 . 11349 1
732 . 1 1 64 64 GLN C C 13 176.230 0.300 . 1 . . . . 64 GLN C . 11349 1
733 . 1 1 64 64 GLN CA C 13 56.855 0.300 . 1 . . . . 64 GLN CA . 11349 1
734 . 1 1 64 64 GLN CB C 13 29.125 0.300 . 1 . . . . 64 GLN CB . 11349 1
735 . 1 1 64 64 GLN CG C 13 33.177 0.300 . 1 . . . . 64 GLN CG . 11349 1
736 . 1 1 64 64 GLN N N 15 117.271 0.300 . 1 . . . . 64 GLN N . 11349 1
737 . 1 1 64 64 GLN NE2 N 15 110.896 0.300 . 1 . . . . 64 GLN NE2 . 11349 1
738 . 1 1 65 65 HIS H H 1 7.678 0.030 . 1 . . . . 65 HIS H . 11349 1
739 . 1 1 65 65 HIS HA H 1 4.417 0.030 . 1 . . . . 65 HIS HA . 11349 1
740 . 1 1 65 65 HIS HB2 H 1 2.929 0.030 . 2 . . . . 65 HIS HB2 . 11349 1
741 . 1 1 65 65 HIS HB3 H 1 2.349 0.030 . 2 . . . . 65 HIS HB3 . 11349 1
742 . 1 1 65 65 HIS HD2 H 1 6.473 0.030 . 1 . . . . 65 HIS HD2 . 11349 1
743 . 1 1 65 65 HIS HE1 H 1 7.363 0.030 . 1 . . . . 65 HIS HE1 . 11349 1
744 . 1 1 65 65 HIS C C 13 174.955 0.300 . 1 . . . . 65 HIS C . 11349 1
745 . 1 1 65 65 HIS CA C 13 56.622 0.300 . 1 . . . . 65 HIS CA . 11349 1
746 . 1 1 65 65 HIS CB C 13 30.072 0.300 . 1 . . . . 65 HIS CB . 11349 1
747 . 1 1 65 65 HIS CD2 C 13 121.305 0.300 . 1 . . . . 65 HIS CD2 . 11349 1
748 . 1 1 65 65 HIS CE1 C 13 137.626 0.300 . 1 . . . . 65 HIS CE1 . 11349 1
749 . 1 1 65 65 HIS N N 15 117.068 0.300 . 1 . . . . 65 HIS N . 11349 1
750 . 1 1 66 66 ALA H H 1 7.666 0.030 . 1 . . . . 66 ALA H . 11349 1
751 . 1 1 66 66 ALA HA H 1 4.309 0.030 . 1 . . . . 66 ALA HA . 11349 1
752 . 1 1 66 66 ALA HB1 H 1 1.371 0.030 . 1 . . . . 66 ALA HB . 11349 1
753 . 1 1 66 66 ALA HB2 H 1 1.371 0.030 . 1 . . . . 66 ALA HB . 11349 1
754 . 1 1 66 66 ALA HB3 H 1 1.371 0.030 . 1 . . . . 66 ALA HB . 11349 1
755 . 1 1 66 66 ALA C C 13 177.641 0.300 . 1 . . . . 66 ALA C . 11349 1
756 . 1 1 66 66 ALA CA C 13 52.778 0.300 . 1 . . . . 66 ALA CA . 11349 1
757 . 1 1 66 66 ALA CB C 13 19.250 0.300 . 1 . . . . 66 ALA CB . 11349 1
758 . 1 1 66 66 ALA N N 15 123.767 0.300 . 1 . . . . 66 ALA N . 11349 1
759 . 1 1 67 67 SER H H 1 8.185 0.030 . 1 . . . . 67 SER H . 11349 1
760 . 1 1 67 67 SER HA H 1 4.460 0.030 . 1 . . . . 67 SER HA . 11349 1
761 . 1 1 67 67 SER HB2 H 1 3.869 0.030 . 1 . . . . 67 SER HB2 . 11349 1
762 . 1 1 67 67 SER HB3 H 1 3.869 0.030 . 1 . . . . 67 SER HB3 . 11349 1
763 . 1 1 67 67 SER C C 13 174.578 0.300 . 1 . . . . 67 SER C . 11349 1
764 . 1 1 67 67 SER CA C 13 58.419 0.300 . 1 . . . . 67 SER CA . 11349 1
765 . 1 1 67 67 SER CB C 13 64.062 0.300 . 1 . . . . 67 SER CB . 11349 1
766 . 1 1 67 67 SER N N 15 114.705 0.300 . 1 . . . . 67 SER N . 11349 1
767 . 1 1 68 68 GLY H H 1 8.123 0.030 . 1 . . . . 68 GLY H . 11349 1
768 . 1 1 68 68 GLY HA2 H 1 4.137 0.030 . 2 . . . . 68 GLY HA2 . 11349 1
769 . 1 1 68 68 GLY HA3 H 1 4.072 0.030 . 2 . . . . 68 GLY HA3 . 11349 1
770 . 1 1 68 68 GLY C C 13 171.799 0.300 . 1 . . . . 68 GLY C . 11349 1
771 . 1 1 68 68 GLY CA C 13 44.692 0.300 . 1 . . . . 68 GLY CA . 11349 1
772 . 1 1 68 68 GLY N N 15 110.488 0.300 . 1 . . . . 68 GLY N . 11349 1
773 . 1 1 69 69 PRO HA H 1 4.455 0.030 . 1 . . . . 69 PRO HA . 11349 1
774 . 1 1 69 69 PRO HB2 H 1 2.269 0.030 . 2 . . . . 69 PRO HB2 . 11349 1
775 . 1 1 69 69 PRO HB3 H 1 1.949 0.030 . 2 . . . . 69 PRO HB3 . 11349 1
776 . 1 1 69 69 PRO HD2 H 1 3.608 0.030 . 1 . . . . 69 PRO HD2 . 11349 1
777 . 1 1 69 69 PRO HD3 H 1 3.608 0.030 . 1 . . . . 69 PRO HD3 . 11349 1
778 . 1 1 69 69 PRO HG2 H 1 1.997 0.030 . 1 . . . . 69 PRO HG2 . 11349 1
779 . 1 1 69 69 PRO HG3 H 1 1.997 0.030 . 1 . . . . 69 PRO HG3 . 11349 1
780 . 1 1 69 69 PRO C C 13 177.377 0.300 . 1 . . . . 69 PRO C . 11349 1
781 . 1 1 69 69 PRO CA C 13 63.274 0.300 . 1 . . . . 69 PRO CA . 11349 1
782 . 1 1 69 69 PRO CB C 13 32.202 0.300 . 1 . . . . 69 PRO CB . 11349 1
783 . 1 1 69 69 PRO CD C 13 49.808 0.300 . 1 . . . . 69 PRO CD . 11349 1
784 . 1 1 69 69 PRO CG C 13 27.147 0.300 . 1 . . . . 69 PRO CG . 11349 1
785 . 1 1 70 70 SER H H 1 8.488 0.030 . 1 . . . . 70 SER H . 11349 1
786 . 1 1 70 70 SER HA H 1 4.460 0.030 . 1 . . . . 70 SER HA . 11349 1
787 . 1 1 70 70 SER HB2 H 1 3.895 0.030 . 1 . . . . 70 SER HB2 . 11349 1
788 . 1 1 70 70 SER HB3 H 1 3.895 0.030 . 1 . . . . 70 SER HB3 . 11349 1
789 . 1 1 70 70 SER C C 13 177.233 0.300 . 1 . . . . 70 SER C . 11349 1
790 . 1 1 70 70 SER CA C 13 58.554 0.300 . 1 . . . . 70 SER CA . 11349 1
791 . 1 1 70 70 SER CB C 13 63.940 0.300 . 1 . . . . 70 SER CB . 11349 1
792 . 1 1 70 70 SER N N 15 116.368 0.300 . 1 . . . . 70 SER N . 11349 1
stop_
save_