data_11228 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11228 _Entry.Title ; Solution structure of the SH3 domain from Rho guanine nucleotide exchange factor 9 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _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 X. Qin . . . 11228 2 F. Hayashi . . . 11228 3 S. Yokoyama . . . 11228 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)' . 11228 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11228 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 330 11228 '15N chemical shifts' 83 11228 '1H chemical shifts' 506 11228 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 . . 2011-08-03 2010-07-23 original author . 11228 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YSQ 'BMRB Entry Tracking System' 11228 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11228 _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 the SH3 domain from Rho guanine nucleotide exchange factor 9 ; _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 X. Qin . . . 11228 1 2 F. Hayashi . . . 11228 1 3 S. Yokoyama . . . 11228 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11228 _Assembly.ID 1 _Assembly.Name 'Rho guanine nucleotide exchange factor 9' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SH3 domain' 1 $entity_1 A . yes native no no . . . 11228 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 2ysq . . . . . . 11228 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11228 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 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 ; GSSGSSGDSIVSAEAVWDHV TMANRELAFKAGDVIKVLDA SNKDWWWGQIDDEEGWFPAS FVRLWVNQEDEVEEGSGPSS G ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2YSQ . "Solution Structure Of The Sh3 Domain From Rho Guanine Nucleotide Exchange Factor 9" . . . . . 100.00 81 100.00 100.00 5.06e-48 . . . . 11228 1 2 no DBJ BAA24854 . "KIAA0424 [Homo sapiens]" . . . . . 86.42 516 98.57 100.00 1.61e-40 . . . . 11228 1 3 no DBJ BAC30147 . "unnamed protein product [Mus musculus]" . . . . . 86.42 428 97.14 98.57 1.10e-39 . . . . 11228 1 4 no DBJ BAC65562 . "mKIAA0424 protein [Mus musculus]" . . . . . 86.42 520 97.14 98.57 2.91e-39 . . . . 11228 1 5 no DBJ BAE24002 . "unnamed protein product [Mus musculus]" . . . . . 86.42 516 97.14 98.57 2.63e-39 . . . . 11228 1 6 no DBJ BAE37525 . "unnamed protein product [Mus musculus]" . . . . . 86.42 496 97.14 98.57 1.62e-39 . . . . 11228 1 7 no EMBL CAH90157 . "hypothetical protein [Pongo abelii]" . . . . . 86.42 564 97.14 98.57 6.77e-40 . . . . 11228 1 8 no GB AAI17407 . "Cdc42 guanine nucleotide exchange factor (GEF) 9 [Homo sapiens]" . . . . . 86.42 516 98.57 100.00 1.61e-40 . . . . 11228 1 9 no GB AAI41386 . "CDC42 guanine nucleotide exchange factor (GEF) 9 [Mus musculus]" . . . . . 86.42 516 97.14 98.57 2.63e-39 . . . . 11228 1 10 no GB AAX46427 . "Cdc42 guanine exchange factor 9 [Bos taurus]" . . . . . 86.42 561 97.14 98.57 3.51e-39 . . . . 11228 1 11 no GB ADR83209 . "Cdc42 guanine nucleotide exchange factor (GEF) 9 [synthetic construct]" . . . . . 86.42 516 98.57 100.00 1.61e-40 . . . . 11228 1 12 no GB AIC50931 . "ARHGEF9, partial [synthetic construct]" . . . . . 86.42 516 98.57 100.00 1.61e-40 . . . . 11228 1 13 no REF NP_001028501 . "rho guanine nucleotide exchange factor 9 isoform a [Mus musculus]" . . . . . 86.42 516 97.14 98.57 2.63e-39 . . . . 11228 1 14 no REF NP_001030495 . "rho guanine nucleotide exchange factor 9 [Bos taurus]" . . . . . 86.42 561 97.14 98.57 3.51e-39 . . . . 11228 1 15 no REF NP_001125046 . "rho guanine nucleotide exchange factor 9 [Pongo abelii]" . . . . . 86.42 564 97.14 98.57 6.77e-40 . . . . 11228 1 16 no REF NP_001277313 . "rho guanine nucleotide exchange factor 9 isoform b [Mus musculus]" . . . . . 66.67 495 98.15 98.15 7.81e-29 . . . . 11228 1 17 no REF NP_001277314 . "rho guanine nucleotide exchange factor 9 isoform b [Mus musculus]" . . . . . 66.67 495 98.15 98.15 7.81e-29 . . . . 11228 1 18 no SP O43307 . "RecName: Full=Rho guanine nucleotide exchange factor 9; AltName: Full=Collybistin; AltName: Full=PEM-2 homolog; AltName: Full=R" . . . . . 86.42 516 98.57 100.00 1.61e-40 . . . . 11228 1 19 no SP Q3UTH8 . "RecName: Full=Rho guanine nucleotide exchange factor 9; AltName: Full=Collybistin; AltName: Full=Rac/Cdc42 guanine nucleotide e" . . . . . 86.42 516 97.14 98.57 2.63e-39 . . . . 11228 1 20 no SP Q58DL7 . "RecName: Full=Rho guanine nucleotide exchange factor 9; AltName: Full=Collybistin; AltName: Full=Rac/Cdc42 guanine nucleotide e" . . . . . 86.42 561 97.14 98.57 3.51e-39 . . . . 11228 1 21 no SP Q5RDK0 . "RecName: Full=Rho guanine nucleotide exchange factor 9; AltName: Full=Collybistin; AltName: Full=Rac/Cdc42 guanine nucleotide e" . . . . . 86.42 564 97.14 98.57 6.77e-40 . . . . 11228 1 22 no TPG DAA12786 . "TPA: rho guanine nucleotide exchange factor 9 [Bos taurus]" . . . . . 86.42 561 97.14 98.57 3.51e-39 . . . . 11228 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11228 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 . 11228 1 2 . SER . 11228 1 3 . SER . 11228 1 4 . GLY . 11228 1 5 . SER . 11228 1 6 . SER . 11228 1 7 . GLY . 11228 1 8 . ASP . 11228 1 9 . SER . 11228 1 10 . ILE . 11228 1 11 . VAL . 11228 1 12 . SER . 11228 1 13 . ALA . 11228 1 14 . GLU . 11228 1 15 . ALA . 11228 1 16 . VAL . 11228 1 17 . TRP . 11228 1 18 . ASP . 11228 1 19 . HIS . 11228 1 20 . VAL . 11228 1 21 . THR . 11228 1 22 . MET . 11228 1 23 . ALA . 11228 1 24 . ASN . 11228 1 25 . ARG . 11228 1 26 . GLU . 11228 1 27 . LEU . 11228 1 28 . ALA . 11228 1 29 . PHE . 11228 1 30 . LYS . 11228 1 31 . ALA . 11228 1 32 . GLY . 11228 1 33 . ASP . 11228 1 34 . VAL . 11228 1 35 . ILE . 11228 1 36 . LYS . 11228 1 37 . VAL . 11228 1 38 . LEU . 11228 1 39 . ASP . 11228 1 40 . ALA . 11228 1 41 . SER . 11228 1 42 . ASN . 11228 1 43 . LYS . 11228 1 44 . ASP . 11228 1 45 . TRP . 11228 1 46 . TRP . 11228 1 47 . TRP . 11228 1 48 . GLY . 11228 1 49 . GLN . 11228 1 50 . ILE . 11228 1 51 . ASP . 11228 1 52 . ASP . 11228 1 53 . GLU . 11228 1 54 . GLU . 11228 1 55 . GLY . 11228 1 56 . TRP . 11228 1 57 . PHE . 11228 1 58 . PRO . 11228 1 59 . ALA . 11228 1 60 . SER . 11228 1 61 . PHE . 11228 1 62 . VAL . 11228 1 63 . ARG . 11228 1 64 . LEU . 11228 1 65 . TRP . 11228 1 66 . VAL . 11228 1 67 . ASN . 11228 1 68 . GLN . 11228 1 69 . GLU . 11228 1 70 . ASP . 11228 1 71 . GLU . 11228 1 72 . VAL . 11228 1 73 . GLU . 11228 1 74 . GLU . 11228 1 75 . GLY . 11228 1 76 . SER . 11228 1 77 . GLY . 11228 1 78 . PRO . 11228 1 79 . SER . 11228 1 80 . SER . 11228 1 81 . GLY . 11228 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 11228 1 . SER 2 2 11228 1 . SER 3 3 11228 1 . GLY 4 4 11228 1 . SER 5 5 11228 1 . SER 6 6 11228 1 . GLY 7 7 11228 1 . ASP 8 8 11228 1 . SER 9 9 11228 1 . ILE 10 10 11228 1 . VAL 11 11 11228 1 . SER 12 12 11228 1 . ALA 13 13 11228 1 . GLU 14 14 11228 1 . ALA 15 15 11228 1 . VAL 16 16 11228 1 . TRP 17 17 11228 1 . ASP 18 18 11228 1 . HIS 19 19 11228 1 . VAL 20 20 11228 1 . THR 21 21 11228 1 . MET 22 22 11228 1 . ALA 23 23 11228 1 . ASN 24 24 11228 1 . ARG 25 25 11228 1 . GLU 26 26 11228 1 . LEU 27 27 11228 1 . ALA 28 28 11228 1 . PHE 29 29 11228 1 . LYS 30 30 11228 1 . ALA 31 31 11228 1 . GLY 32 32 11228 1 . ASP 33 33 11228 1 . VAL 34 34 11228 1 . ILE 35 35 11228 1 . LYS 36 36 11228 1 . VAL 37 37 11228 1 . LEU 38 38 11228 1 . ASP 39 39 11228 1 . ALA 40 40 11228 1 . SER 41 41 11228 1 . ASN 42 42 11228 1 . LYS 43 43 11228 1 . ASP 44 44 11228 1 . TRP 45 45 11228 1 . TRP 46 46 11228 1 . TRP 47 47 11228 1 . GLY 48 48 11228 1 . GLN 49 49 11228 1 . ILE 50 50 11228 1 . ASP 51 51 11228 1 . ASP 52 52 11228 1 . GLU 53 53 11228 1 . GLU 54 54 11228 1 . GLY 55 55 11228 1 . TRP 56 56 11228 1 . PHE 57 57 11228 1 . PRO 58 58 11228 1 . ALA 59 59 11228 1 . SER 60 60 11228 1 . PHE 61 61 11228 1 . VAL 62 62 11228 1 . ARG 63 63 11228 1 . LEU 64 64 11228 1 . TRP 65 65 11228 1 . VAL 66 66 11228 1 . ASN 67 67 11228 1 . GLN 68 68 11228 1 . GLU 69 69 11228 1 . ASP 70 70 11228 1 . GLU 71 71 11228 1 . VAL 72 72 11228 1 . GLU 73 73 11228 1 . GLU 74 74 11228 1 . GLY 75 75 11228 1 . SER 76 76 11228 1 . GLY 77 77 11228 1 . PRO 78 78 11228 1 . SER 79 79 11228 1 . SER 80 80 11228 1 . GLY 81 81 11228 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11228 _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 . . . . . . . . . . . . . . . . . . . . . 11228 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 11228 _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 . . . . . . . . . . . . . . . . P050919-06 . . . . . . 11228 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11228 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.46mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.46 . . mM . . . . 11228 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11228 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11228 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11228 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11228 1 6 H2O . . . . . . solvent 90 . . % . . . . 11228 1 7 D2O . . . . . . solvent 10 . . % . . . . 11228 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 11228 _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 11228 1 pH 7.0 0.05 pH 11228 1 pressure 1 0.001 atm 11228 1 temperature 298 0.1 K 11228 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11228 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11228 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11228 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11228 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11228 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11228 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11228 _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.' . . 11228 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11228 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11228 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11228 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11228 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11228 _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.' . . 11228 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11228 5 'structure solution' 11228 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 11228 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11228 _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 Varian INOVA . 800 . . . 11228 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 11228 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11228 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11228 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 11228 _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 . . . . . . . . . 11228 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11228 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11228 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 11228 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11228 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11228 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 $VNMR . . 11228 1 2 $NMRPipe . . 11228 1 3 $NMRVIEW . . 11228 1 4 $Kujira . . 11228 1 5 $CYANA . . 11228 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 4.499 0.030 . 1 . . . . 6 SER HA . 11228 1 2 . 1 1 6 6 SER HB2 H 1 3.921 0.030 . 1 . . . . 6 SER HB2 . 11228 1 3 . 1 1 6 6 SER HB3 H 1 3.921 0.030 . 1 . . . . 6 SER HB3 . 11228 1 4 . 1 1 6 6 SER C C 13 175.091 0.300 . 1 . . . . 6 SER C . 11228 1 5 . 1 1 6 6 SER CA C 13 58.662 0.300 . 1 . . . . 6 SER CA . 11228 1 6 . 1 1 6 6 SER CB C 13 63.679 0.300 . 1 . . . . 6 SER CB . 11228 1 7 . 1 1 7 7 GLY H H 1 8.417 0.030 . 1 . . . . 7 GLY H . 11228 1 8 . 1 1 7 7 GLY HA2 H 1 3.980 0.030 . 1 . . . . 7 GLY HA2 . 11228 1 9 . 1 1 7 7 GLY HA3 H 1 3.980 0.030 . 1 . . . . 7 GLY HA3 . 11228 1 10 . 1 1 7 7 GLY C C 13 173.991 0.300 . 1 . . . . 7 GLY C . 11228 1 11 . 1 1 7 7 GLY CA C 13 45.462 0.300 . 1 . . . . 7 GLY CA . 11228 1 12 . 1 1 7 7 GLY N N 15 110.787 0.300 . 1 . . . . 7 GLY N . 11228 1 13 . 1 1 8 8 ASP H H 1 8.189 0.030 . 1 . . . . 8 ASP H . 11228 1 14 . 1 1 8 8 ASP HA H 1 4.638 0.030 . 1 . . . . 8 ASP HA . 11228 1 15 . 1 1 8 8 ASP HB2 H 1 2.626 0.030 . 2 . . . . 8 ASP HB2 . 11228 1 16 . 1 1 8 8 ASP HB3 H 1 2.694 0.030 . 2 . . . . 8 ASP HB3 . 11228 1 17 . 1 1 8 8 ASP C C 13 176.276 0.300 . 1 . . . . 8 ASP C . 11228 1 18 . 1 1 8 8 ASP CA C 13 54.370 0.300 . 1 . . . . 8 ASP CA . 11228 1 19 . 1 1 8 8 ASP CB C 13 41.252 0.300 . 1 . . . . 8 ASP CB . 11228 1 20 . 1 1 8 8 ASP N N 15 120.326 0.300 . 1 . . . . 8 ASP N . 11228 1 21 . 1 1 9 9 SER H H 1 8.237 0.030 . 1 . . . . 9 SER H . 11228 1 22 . 1 1 9 9 SER HA H 1 4.455 0.030 . 1 . . . . 9 SER HA . 11228 1 23 . 1 1 9 9 SER HB2 H 1 3.839 0.030 . 1 . . . . 9 SER HB2 . 11228 1 24 . 1 1 9 9 SER HB3 H 1 3.839 0.030 . 1 . . . . 9 SER HB3 . 11228 1 25 . 1 1 9 9 SER C C 13 174.004 0.300 . 1 . . . . 9 SER C . 11228 1 26 . 1 1 9 9 SER CA C 13 58.303 0.300 . 1 . . . . 9 SER CA . 11228 1 27 . 1 1 9 9 SER CB C 13 63.745 0.300 . 1 . . . . 9 SER CB . 11228 1 28 . 1 1 9 9 SER N N 15 115.645 0.300 . 1 . . . . 9 SER N . 11228 1 29 . 1 1 10 10 ILE H H 1 8.125 0.030 . 1 . . . . 10 ILE H . 11228 1 30 . 1 1 10 10 ILE HA H 1 4.210 0.030 . 1 . . . . 10 ILE HA . 11228 1 31 . 1 1 10 10 ILE HB H 1 1.774 0.030 . 1 . . . . 10 ILE HB . 11228 1 32 . 1 1 10 10 ILE HD11 H 1 0.819 0.030 . 1 . . . . 10 ILE HD1 . 11228 1 33 . 1 1 10 10 ILE HD12 H 1 0.819 0.030 . 1 . . . . 10 ILE HD1 . 11228 1 34 . 1 1 10 10 ILE HD13 H 1 0.819 0.030 . 1 . . . . 10 ILE HD1 . 11228 1 35 . 1 1 10 10 ILE HG12 H 1 1.494 0.030 . 2 . . . . 10 ILE HG12 . 11228 1 36 . 1 1 10 10 ILE HG13 H 1 1.113 0.030 . 2 . . . . 10 ILE HG13 . 11228 1 37 . 1 1 10 10 ILE HG21 H 1 0.807 0.030 . 1 . . . . 10 ILE HG2 . 11228 1 38 . 1 1 10 10 ILE HG22 H 1 0.807 0.030 . 1 . . . . 10 ILE HG2 . 11228 1 39 . 1 1 10 10 ILE HG23 H 1 0.807 0.030 . 1 . . . . 10 ILE HG2 . 11228 1 40 . 1 1 10 10 ILE C C 13 175.842 0.300 . 1 . . . . 10 ILE C . 11228 1 41 . 1 1 10 10 ILE CA C 13 61.138 0.300 . 1 . . . . 10 ILE CA . 11228 1 42 . 1 1 10 10 ILE CB C 13 38.901 0.300 . 1 . . . . 10 ILE CB . 11228 1 43 . 1 1 10 10 ILE CD1 C 13 13.078 0.300 . 1 . . . . 10 ILE CD1 . 11228 1 44 . 1 1 10 10 ILE CG1 C 13 27.561 0.300 . 1 . . . . 10 ILE CG1 . 11228 1 45 . 1 1 10 10 ILE CG2 C 13 17.650 0.300 . 1 . . . . 10 ILE CG2 . 11228 1 46 . 1 1 10 10 ILE N N 15 123.373 0.300 . 1 . . . . 10 ILE N . 11228 1 47 . 1 1 11 11 VAL H H 1 8.358 0.030 . 1 . . . . 11 VAL H . 11228 1 48 . 1 1 11 11 VAL HA H 1 4.340 0.030 . 1 . . . . 11 VAL HA . 11228 1 49 . 1 1 11 11 VAL HB H 1 2.108 0.030 . 1 . . . . 11 VAL HB . 11228 1 50 . 1 1 11 11 VAL HG11 H 1 0.869 0.030 . 1 . . . . 11 VAL HG1 . 11228 1 51 . 1 1 11 11 VAL HG12 H 1 0.869 0.030 . 1 . . . . 11 VAL HG1 . 11228 1 52 . 1 1 11 11 VAL HG13 H 1 0.869 0.030 . 1 . . . . 11 VAL HG1 . 11228 1 53 . 1 1 11 11 VAL HG21 H 1 0.887 0.030 . 1 . . . . 11 VAL HG2 . 11228 1 54 . 1 1 11 11 VAL HG22 H 1 0.887 0.030 . 1 . . . . 11 VAL HG2 . 11228 1 55 . 1 1 11 11 VAL HG23 H 1 0.887 0.030 . 1 . . . . 11 VAL HG2 . 11228 1 56 . 1 1 11 11 VAL C C 13 174.652 0.300 . 1 . . . . 11 VAL C . 11228 1 57 . 1 1 11 11 VAL CA C 13 61.658 0.300 . 1 . . . . 11 VAL CA . 11228 1 58 . 1 1 11 11 VAL CB C 13 33.583 0.300 . 1 . . . . 11 VAL CB . 11228 1 59 . 1 1 11 11 VAL CG1 C 13 21.425 0.300 . 2 . . . . 11 VAL CG1 . 11228 1 60 . 1 1 11 11 VAL CG2 C 13 20.437 0.300 . 2 . . . . 11 VAL CG2 . 11228 1 61 . 1 1 11 11 VAL N N 15 126.154 0.300 . 1 . . . . 11 VAL N . 11228 1 62 . 1 1 12 12 SER H H 1 8.437 0.030 . 1 . . . . 12 SER H . 11228 1 63 . 1 1 12 12 SER HA H 1 5.337 0.030 . 1 . . . . 12 SER HA . 11228 1 64 . 1 1 12 12 SER HB2 H 1 3.386 0.030 . 2 . . . . 12 SER HB2 . 11228 1 65 . 1 1 12 12 SER HB3 H 1 3.557 0.030 . 2 . . . . 12 SER HB3 . 11228 1 66 . 1 1 12 12 SER C C 13 172.219 0.300 . 1 . . . . 12 SER C . 11228 1 67 . 1 1 12 12 SER CA C 13 57.603 0.300 . 1 . . . . 12 SER CA . 11228 1 68 . 1 1 12 12 SER CB C 13 65.409 0.300 . 1 . . . . 12 SER CB . 11228 1 69 . 1 1 12 12 SER N N 15 120.133 0.300 . 1 . . . . 12 SER N . 11228 1 70 . 1 1 13 13 ALA H H 1 9.110 0.030 . 1 . . . . 13 ALA H . 11228 1 71 . 1 1 13 13 ALA HA H 1 4.979 0.030 . 1 . . . . 13 ALA HA . 11228 1 72 . 1 1 13 13 ALA HB1 H 1 1.152 0.030 . 1 . . . . 13 ALA HB . 11228 1 73 . 1 1 13 13 ALA HB2 H 1 1.152 0.030 . 1 . . . . 13 ALA HB . 11228 1 74 . 1 1 13 13 ALA HB3 H 1 1.152 0.030 . 1 . . . . 13 ALA HB . 11228 1 75 . 1 1 13 13 ALA C C 13 174.039 0.300 . 1 . . . . 13 ALA C . 11228 1 76 . 1 1 13 13 ALA CA C 13 50.132 0.300 . 1 . . . . 13 ALA CA . 11228 1 77 . 1 1 13 13 ALA CB C 13 23.248 0.300 . 1 . . . . 13 ALA CB . 11228 1 78 . 1 1 13 13 ALA N N 15 124.331 0.300 . 1 . . . . 13 ALA N . 11228 1 79 . 1 1 14 14 GLU H H 1 8.786 0.030 . 1 . . . . 14 GLU H . 11228 1 80 . 1 1 14 14 GLU HA H 1 4.907 0.030 . 1 . . . . 14 GLU HA . 11228 1 81 . 1 1 14 14 GLU HB2 H 1 1.887 0.030 . 2 . . . . 14 GLU HB2 . 11228 1 82 . 1 1 14 14 GLU HB3 H 1 1.789 0.030 . 2 . . . . 14 GLU HB3 . 11228 1 83 . 1 1 14 14 GLU HG2 H 1 1.985 0.030 . 1 . . . . 14 GLU HG2 . 11228 1 84 . 1 1 14 14 GLU HG3 H 1 1.985 0.030 . 1 . . . . 14 GLU HG3 . 11228 1 85 . 1 1 14 14 GLU C C 13 176.027 0.300 . 1 . . . . 14 GLU C . 11228 1 86 . 1 1 14 14 GLU CA C 13 53.467 0.300 . 1 . . . . 14 GLU CA . 11228 1 87 . 1 1 14 14 GLU CB C 13 33.014 0.300 . 1 . . . . 14 GLU CB . 11228 1 88 . 1 1 14 14 GLU CG C 13 36.180 0.300 . 1 . . . . 14 GLU CG . 11228 1 89 . 1 1 14 14 GLU N N 15 120.997 0.300 . 1 . . . . 14 GLU N . 11228 1 90 . 1 1 15 15 ALA H H 1 9.012 0.030 . 1 . . . . 15 ALA H . 11228 1 91 . 1 1 15 15 ALA HA H 1 4.334 0.030 . 1 . . . . 15 ALA HA . 11228 1 92 . 1 1 15 15 ALA HB1 H 1 1.354 0.030 . 1 . . . . 15 ALA HB . 11228 1 93 . 1 1 15 15 ALA HB2 H 1 1.354 0.030 . 1 . . . . 15 ALA HB . 11228 1 94 . 1 1 15 15 ALA HB3 H 1 1.354 0.030 . 1 . . . . 15 ALA HB . 11228 1 95 . 1 1 15 15 ALA C C 13 178.810 0.300 . 1 . . . . 15 ALA C . 11228 1 96 . 1 1 15 15 ALA CA C 13 52.800 0.300 . 1 . . . . 15 ALA CA . 11228 1 97 . 1 1 15 15 ALA CB C 13 20.876 0.300 . 1 . . . . 15 ALA CB . 11228 1 98 . 1 1 15 15 ALA N N 15 128.156 0.300 . 1 . . . . 15 ALA N . 11228 1 99 . 1 1 16 16 VAL H H 1 9.414 0.030 . 1 . . . . 16 VAL H . 11228 1 100 . 1 1 16 16 VAL HA H 1 3.891 0.030 . 1 . . . . 16 VAL HA . 11228 1 101 . 1 1 16 16 VAL HB H 1 1.529 0.030 . 1 . . . . 16 VAL HB . 11228 1 102 . 1 1 16 16 VAL HG11 H 1 0.481 0.030 . 1 . . . . 16 VAL HG1 . 11228 1 103 . 1 1 16 16 VAL HG12 H 1 0.481 0.030 . 1 . . . . 16 VAL HG1 . 11228 1 104 . 1 1 16 16 VAL HG13 H 1 0.481 0.030 . 1 . . . . 16 VAL HG1 . 11228 1 105 . 1 1 16 16 VAL HG21 H 1 0.231 0.030 . 1 . . . . 16 VAL HG2 . 11228 1 106 . 1 1 16 16 VAL HG22 H 1 0.231 0.030 . 1 . . . . 16 VAL HG2 . 11228 1 107 . 1 1 16 16 VAL HG23 H 1 0.231 0.030 . 1 . . . . 16 VAL HG2 . 11228 1 108 . 1 1 16 16 VAL C C 13 174.230 0.300 . 1 . . . . 16 VAL C . 11228 1 109 . 1 1 16 16 VAL CA C 13 62.748 0.300 . 1 . . . . 16 VAL CA . 11228 1 110 . 1 1 16 16 VAL CB C 13 32.531 0.300 . 1 . . . . 16 VAL CB . 11228 1 111 . 1 1 16 16 VAL CG1 C 13 20.031 0.300 . 2 . . . . 16 VAL CG1 . 11228 1 112 . 1 1 16 16 VAL CG2 C 13 20.598 0.300 . 2 . . . . 16 VAL CG2 . 11228 1 113 . 1 1 16 16 VAL N N 15 124.720 0.300 . 1 . . . . 16 VAL N . 11228 1 114 . 1 1 17 17 TRP H H 1 7.353 0.030 . 1 . . . . 17 TRP H . 11228 1 115 . 1 1 17 17 TRP HA H 1 4.947 0.030 . 1 . . . . 17 TRP HA . 11228 1 116 . 1 1 17 17 TRP HB2 H 1 3.070 0.030 . 2 . . . . 17 TRP HB2 . 11228 1 117 . 1 1 17 17 TRP HB3 H 1 2.531 0.030 . 2 . . . . 17 TRP HB3 . 11228 1 118 . 1 1 17 17 TRP HD1 H 1 6.912 0.030 . 1 . . . . 17 TRP HD1 . 11228 1 119 . 1 1 17 17 TRP HE1 H 1 9.935 0.030 . 1 . . . . 17 TRP HE1 . 11228 1 120 . 1 1 17 17 TRP HE3 H 1 6.969 0.030 . 1 . . . . 17 TRP HE3 . 11228 1 121 . 1 1 17 17 TRP HH2 H 1 7.131 0.030 . 1 . . . . 17 TRP HH2 . 11228 1 122 . 1 1 17 17 TRP HZ2 H 1 7.367 0.030 . 1 . . . . 17 TRP HZ2 . 11228 1 123 . 1 1 17 17 TRP HZ3 H 1 6.996 0.030 . 1 . . . . 17 TRP HZ3 . 11228 1 124 . 1 1 17 17 TRP C C 13 173.935 0.300 . 1 . . . . 17 TRP C . 11228 1 125 . 1 1 17 17 TRP CA C 13 54.632 0.300 . 1 . . . . 17 TRP CA . 11228 1 126 . 1 1 17 17 TRP CB C 13 33.324 0.300 . 1 . . . . 17 TRP CB . 11228 1 127 . 1 1 17 17 TRP CD1 C 13 126.573 0.300 . 1 . . . . 17 TRP CD1 . 11228 1 128 . 1 1 17 17 TRP CE3 C 13 120.581 0.300 . 1 . . . . 17 TRP CE3 . 11228 1 129 . 1 1 17 17 TRP CH2 C 13 124.446 0.300 . 1 . . . . 17 TRP CH2 . 11228 1 130 . 1 1 17 17 TRP CZ2 C 13 114.211 0.300 . 1 . . . . 17 TRP CZ2 . 11228 1 131 . 1 1 17 17 TRP CZ3 C 13 121.882 0.300 . 1 . . . . 17 TRP CZ3 . 11228 1 132 . 1 1 17 17 TRP N N 15 118.417 0.300 . 1 . . . . 17 TRP N . 11228 1 133 . 1 1 17 17 TRP NE1 N 15 128.440 0.300 . 1 . . . . 17 TRP NE1 . 11228 1 134 . 1 1 18 18 ASP H H 1 8.340 0.030 . 1 . . . . 18 ASP H . 11228 1 135 . 1 1 18 18 ASP HA H 1 4.540 0.030 . 1 . . . . 18 ASP HA . 11228 1 136 . 1 1 18 18 ASP HB2 H 1 2.636 0.030 . 1 . . . . 18 ASP HB2 . 11228 1 137 . 1 1 18 18 ASP HB3 H 1 2.636 0.030 . 1 . . . . 18 ASP HB3 . 11228 1 138 . 1 1 18 18 ASP C C 13 175.590 0.300 . 1 . . . . 18 ASP C . 11228 1 139 . 1 1 18 18 ASP CA C 13 54.882 0.300 . 1 . . . . 18 ASP CA . 11228 1 140 . 1 1 18 18 ASP CB C 13 41.249 0.300 . 1 . . . . 18 ASP CB . 11228 1 141 . 1 1 18 18 ASP N N 15 117.806 0.300 . 1 . . . . 18 ASP N . 11228 1 142 . 1 1 19 19 HIS H H 1 8.510 0.030 . 1 . . . . 19 HIS H . 11228 1 143 . 1 1 19 19 HIS HA H 1 4.941 0.030 . 1 . . . . 19 HIS HA . 11228 1 144 . 1 1 19 19 HIS HB2 H 1 2.055 0.030 . 2 . . . . 19 HIS HB2 . 11228 1 145 . 1 1 19 19 HIS HB3 H 1 1.599 0.030 . 2 . . . . 19 HIS HB3 . 11228 1 146 . 1 1 19 19 HIS HD2 H 1 6.681 0.030 . 1 . . . . 19 HIS HD2 . 11228 1 147 . 1 1 19 19 HIS HE1 H 1 7.822 0.030 . 1 . . . . 19 HIS HE1 . 11228 1 148 . 1 1 19 19 HIS C C 13 173.303 0.300 . 1 . . . . 19 HIS C . 11228 1 149 . 1 1 19 19 HIS CA C 13 54.769 0.300 . 1 . . . . 19 HIS CA . 11228 1 150 . 1 1 19 19 HIS CB C 13 29.361 0.300 . 1 . . . . 19 HIS CB . 11228 1 151 . 1 1 19 19 HIS CD2 C 13 125.283 0.300 . 1 . . . . 19 HIS CD2 . 11228 1 152 . 1 1 19 19 HIS CE1 C 13 135.881 0.300 . 1 . . . . 19 HIS CE1 . 11228 1 153 . 1 1 19 19 HIS N N 15 122.416 0.300 . 1 . . . . 19 HIS N . 11228 1 154 . 1 1 20 20 VAL H H 1 8.451 0.030 . 1 . . . . 20 VAL H . 11228 1 155 . 1 1 20 20 VAL HA H 1 3.982 0.030 . 1 . . . . 20 VAL HA . 11228 1 156 . 1 1 20 20 VAL HB H 1 1.986 0.030 . 1 . . . . 20 VAL HB . 11228 1 157 . 1 1 20 20 VAL HG11 H 1 0.837 0.030 . 1 . . . . 20 VAL HG1 . 11228 1 158 . 1 1 20 20 VAL HG12 H 1 0.837 0.030 . 1 . . . . 20 VAL HG1 . 11228 1 159 . 1 1 20 20 VAL HG13 H 1 0.837 0.030 . 1 . . . . 20 VAL HG1 . 11228 1 160 . 1 1 20 20 VAL HG21 H 1 0.901 0.030 . 1 . . . . 20 VAL HG2 . 11228 1 161 . 1 1 20 20 VAL HG22 H 1 0.901 0.030 . 1 . . . . 20 VAL HG2 . 11228 1 162 . 1 1 20 20 VAL HG23 H 1 0.901 0.030 . 1 . . . . 20 VAL HG2 . 11228 1 163 . 1 1 20 20 VAL C C 13 175.104 0.300 . 1 . . . . 20 VAL C . 11228 1 164 . 1 1 20 20 VAL CA C 13 61.853 0.300 . 1 . . . . 20 VAL CA . 11228 1 165 . 1 1 20 20 VAL CB C 13 31.457 0.300 . 1 . . . . 20 VAL CB . 11228 1 166 . 1 1 20 20 VAL CG1 C 13 20.915 0.300 . 2 . . . . 20 VAL CG1 . 11228 1 167 . 1 1 20 20 VAL CG2 C 13 20.632 0.300 . 2 . . . . 20 VAL CG2 . 11228 1 168 . 1 1 20 20 VAL N N 15 127.768 0.300 . 1 . . . . 20 VAL N . 11228 1 169 . 1 1 21 21 THR H H 1 7.467 0.030 . 1 . . . . 21 THR H . 11228 1 170 . 1 1 21 21 THR HA H 1 4.430 0.030 . 1 . . . . 21 THR HA . 11228 1 171 . 1 1 21 21 THR HB H 1 3.802 0.030 . 1 . . . . 21 THR HB . 11228 1 172 . 1 1 21 21 THR HG21 H 1 0.653 0.030 . 1 . . . . 21 THR HG2 . 11228 1 173 . 1 1 21 21 THR HG22 H 1 0.653 0.030 . 1 . . . . 21 THR HG2 . 11228 1 174 . 1 1 21 21 THR HG23 H 1 0.653 0.030 . 1 . . . . 21 THR HG2 . 11228 1 175 . 1 1 21 21 THR C C 13 172.143 0.300 . 1 . . . . 21 THR C . 11228 1 176 . 1 1 21 21 THR CA C 13 59.352 0.300 . 1 . . . . 21 THR CA . 11228 1 177 . 1 1 21 21 THR CB C 13 68.693 0.300 . 1 . . . . 21 THR CB . 11228 1 178 . 1 1 21 21 THR CG2 C 13 19.774 0.300 . 1 . . . . 21 THR CG2 . 11228 1 179 . 1 1 21 21 THR N N 15 119.862 0.300 . 1 . . . . 21 THR N . 11228 1 180 . 1 1 22 22 MET H H 1 8.743 0.030 . 1 . . . . 22 MET H . 11228 1 181 . 1 1 22 22 MET HA H 1 4.710 0.030 . 1 . . . . 22 MET HA . 11228 1 182 . 1 1 22 22 MET HB2 H 1 2.246 0.030 . 2 . . . . 22 MET HB2 . 11228 1 183 . 1 1 22 22 MET HB3 H 1 1.872 0.030 . 2 . . . . 22 MET HB3 . 11228 1 184 . 1 1 22 22 MET HE1 H 1 2.066 0.030 . 1 . . . . 22 MET HE . 11228 1 185 . 1 1 22 22 MET HE2 H 1 2.066 0.030 . 1 . . . . 22 MET HE . 11228 1 186 . 1 1 22 22 MET HE3 H 1 2.066 0.030 . 1 . . . . 22 MET HE . 11228 1 187 . 1 1 22 22 MET HG2 H 1 2.537 0.030 . 2 . . . . 22 MET HG2 . 11228 1 188 . 1 1 22 22 MET HG3 H 1 2.475 0.030 . 2 . . . . 22 MET HG3 . 11228 1 189 . 1 1 22 22 MET C C 13 175.800 0.300 . 1 . . . . 22 MET C . 11228 1 190 . 1 1 22 22 MET CA C 13 54.468 0.300 . 1 . . . . 22 MET CA . 11228 1 191 . 1 1 22 22 MET CB C 13 33.222 0.300 . 1 . . . . 22 MET CB . 11228 1 192 . 1 1 22 22 MET CE C 13 17.065 0.300 . 1 . . . . 22 MET CE . 11228 1 193 . 1 1 22 22 MET CG C 13 32.157 0.300 . 1 . . . . 22 MET CG . 11228 1 194 . 1 1 22 22 MET N N 15 124.029 0.300 . 1 . . . . 22 MET N . 11228 1 195 . 1 1 23 23 ALA H H 1 8.274 0.030 . 1 . . . . 23 ALA H . 11228 1 196 . 1 1 23 23 ALA HA H 1 4.345 0.030 . 1 . . . . 23 ALA HA . 11228 1 197 . 1 1 23 23 ALA HB1 H 1 1.315 0.030 . 1 . . . . 23 ALA HB . 11228 1 198 . 1 1 23 23 ALA HB2 H 1 1.315 0.030 . 1 . . . . 23 ALA HB . 11228 1 199 . 1 1 23 23 ALA HB3 H 1 1.315 0.030 . 1 . . . . 23 ALA HB . 11228 1 200 . 1 1 23 23 ALA C C 13 178.128 0.300 . 1 . . . . 23 ALA C . 11228 1 201 . 1 1 23 23 ALA CA C 13 51.954 0.300 . 1 . . . . 23 ALA CA . 11228 1 202 . 1 1 23 23 ALA CB C 13 19.723 0.300 . 1 . . . . 23 ALA CB . 11228 1 203 . 1 1 23 23 ALA N N 15 125.634 0.300 . 1 . . . . 23 ALA N . 11228 1 204 . 1 1 24 24 ASN H H 1 8.680 0.030 . 1 . . . . 24 ASN H . 11228 1 205 . 1 1 24 24 ASN HA H 1 4.561 0.030 . 1 . . . . 24 ASN HA . 11228 1 206 . 1 1 24 24 ASN HB2 H 1 2.803 0.030 . 2 . . . . 24 ASN HB2 . 11228 1 207 . 1 1 24 24 ASN HB3 H 1 2.889 0.030 . 2 . . . . 24 ASN HB3 . 11228 1 208 . 1 1 24 24 ASN HD21 H 1 7.058 0.030 . 2 . . . . 24 ASN HD21 . 11228 1 209 . 1 1 24 24 ASN HD22 H 1 7.799 0.030 . 2 . . . . 24 ASN HD22 . 11228 1 210 . 1 1 24 24 ASN C C 13 175.904 0.300 . 1 . . . . 24 ASN C . 11228 1 211 . 1 1 24 24 ASN CA C 13 55.222 0.300 . 1 . . . . 24 ASN CA . 11228 1 212 . 1 1 24 24 ASN CB C 13 38.879 0.300 . 1 . . . . 24 ASN CB . 11228 1 213 . 1 1 24 24 ASN N N 15 120.295 0.300 . 1 . . . . 24 ASN N . 11228 1 214 . 1 1 24 24 ASN ND2 N 15 112.960 0.300 . 1 . . . . 24 ASN ND2 . 11228 1 215 . 1 1 25 25 ARG H H 1 8.824 0.030 . 1 . . . . 25 ARG H . 11228 1 216 . 1 1 25 25 ARG HA H 1 4.351 0.030 . 1 . . . . 25 ARG HA . 11228 1 217 . 1 1 25 25 ARG HB2 H 1 2.506 0.030 . 2 . . . . 25 ARG HB2 . 11228 1 218 . 1 1 25 25 ARG HB3 H 1 2.294 0.030 . 2 . . . . 25 ARG HB3 . 11228 1 219 . 1 1 25 25 ARG HD2 H 1 3.356 0.030 . 1 . . . . 25 ARG HD2 . 11228 1 220 . 1 1 25 25 ARG HD3 H 1 3.356 0.030 . 1 . . . . 25 ARG HD3 . 11228 1 221 . 1 1 25 25 ARG HG2 H 1 1.829 0.030 . 2 . . . . 25 ARG HG2 . 11228 1 222 . 1 1 25 25 ARG HG3 H 1 1.791 0.030 . 2 . . . . 25 ARG HG3 . 11228 1 223 . 1 1 25 25 ARG C C 13 174.625 0.300 . 1 . . . . 25 ARG C . 11228 1 224 . 1 1 25 25 ARG CA C 13 57.241 0.300 . 1 . . . . 25 ARG CA . 11228 1 225 . 1 1 25 25 ARG CB C 13 28.673 0.300 . 1 . . . . 25 ARG CB . 11228 1 226 . 1 1 25 25 ARG CD C 13 43.632 0.300 . 1 . . . . 25 ARG CD . 11228 1 227 . 1 1 25 25 ARG CG C 13 28.068 0.300 . 1 . . . . 25 ARG CG . 11228 1 228 . 1 1 25 25 ARG N N 15 116.228 0.300 . 1 . . . . 25 ARG N . 11228 1 229 . 1 1 26 26 GLU H H 1 7.489 0.030 . 1 . . . . 26 GLU H . 11228 1 230 . 1 1 26 26 GLU HA H 1 5.321 0.030 . 1 . . . . 26 GLU HA . 11228 1 231 . 1 1 26 26 GLU HB2 H 1 2.065 0.030 . 1 . . . . 26 GLU HB2 . 11228 1 232 . 1 1 26 26 GLU HB3 H 1 2.065 0.030 . 1 . . . . 26 GLU HB3 . 11228 1 233 . 1 1 26 26 GLU HG2 H 1 2.335 0.030 . 1 . . . . 26 GLU HG2 . 11228 1 234 . 1 1 26 26 GLU HG3 H 1 2.335 0.030 . 1 . . . . 26 GLU HG3 . 11228 1 235 . 1 1 26 26 GLU C C 13 175.394 0.300 . 1 . . . . 26 GLU C . 11228 1 236 . 1 1 26 26 GLU CA C 13 55.257 0.300 . 1 . . . . 26 GLU CA . 11228 1 237 . 1 1 26 26 GLU CB C 13 33.056 0.300 . 1 . . . . 26 GLU CB . 11228 1 238 . 1 1 26 26 GLU CG C 13 37.183 0.300 . 1 . . . . 26 GLU CG . 11228 1 239 . 1 1 26 26 GLU N N 15 116.300 0.300 . 1 . . . . 26 GLU N . 11228 1 240 . 1 1 27 27 LEU H H 1 8.806 0.030 . 1 . . . . 27 LEU H . 11228 1 241 . 1 1 27 27 LEU HA H 1 4.363 0.030 . 1 . . . . 27 LEU HA . 11228 1 242 . 1 1 27 27 LEU HB2 H 1 1.825 0.030 . 2 . . . . 27 LEU HB2 . 11228 1 243 . 1 1 27 27 LEU HB3 H 1 0.767 0.030 . 2 . . . . 27 LEU HB3 . 11228 1 244 . 1 1 27 27 LEU HD11 H 1 0.702 0.030 . 1 . . . . 27 LEU HD1 . 11228 1 245 . 1 1 27 27 LEU HD12 H 1 0.702 0.030 . 1 . . . . 27 LEU HD1 . 11228 1 246 . 1 1 27 27 LEU HD13 H 1 0.702 0.030 . 1 . . . . 27 LEU HD1 . 11228 1 247 . 1 1 27 27 LEU HD21 H 1 0.551 0.030 . 1 . . . . 27 LEU HD2 . 11228 1 248 . 1 1 27 27 LEU HD22 H 1 0.551 0.030 . 1 . . . . 27 LEU HD2 . 11228 1 249 . 1 1 27 27 LEU HD23 H 1 0.551 0.030 . 1 . . . . 27 LEU HD2 . 11228 1 250 . 1 1 27 27 LEU HG H 1 1.491 0.030 . 1 . . . . 27 LEU HG . 11228 1 251 . 1 1 27 27 LEU C C 13 174.010 0.300 . 1 . . . . 27 LEU C . 11228 1 252 . 1 1 27 27 LEU CA C 13 53.461 0.300 . 1 . . . . 27 LEU CA . 11228 1 253 . 1 1 27 27 LEU CB C 13 44.635 0.300 . 1 . . . . 27 LEU CB . 11228 1 254 . 1 1 27 27 LEU CD1 C 13 23.151 0.300 . 2 . . . . 27 LEU CD1 . 11228 1 255 . 1 1 27 27 LEU CD2 C 13 25.871 0.300 . 2 . . . . 27 LEU CD2 . 11228 1 256 . 1 1 27 27 LEU CG C 13 26.632 0.300 . 1 . . . . 27 LEU CG . 11228 1 257 . 1 1 27 27 LEU N N 15 124.990 0.300 . 1 . . . . 27 LEU N . 11228 1 258 . 1 1 28 28 ALA H H 1 8.597 0.030 . 1 . . . . 28 ALA H . 11228 1 259 . 1 1 28 28 ALA HA H 1 4.490 0.030 . 1 . . . . 28 ALA HA . 11228 1 260 . 1 1 28 28 ALA HB1 H 1 1.464 0.030 . 1 . . . . 28 ALA HB . 11228 1 261 . 1 1 28 28 ALA HB2 H 1 1.464 0.030 . 1 . . . . 28 ALA HB . 11228 1 262 . 1 1 28 28 ALA HB3 H 1 1.464 0.030 . 1 . . . . 28 ALA HB . 11228 1 263 . 1 1 28 28 ALA C C 13 176.913 0.300 . 1 . . . . 28 ALA C . 11228 1 264 . 1 1 28 28 ALA CA C 13 51.169 0.300 . 1 . . . . 28 ALA CA . 11228 1 265 . 1 1 28 28 ALA CB C 13 20.196 0.300 . 1 . . . . 28 ALA CB . 11228 1 266 . 1 1 28 28 ALA N N 15 131.011 0.300 . 1 . . . . 28 ALA N . 11228 1 267 . 1 1 29 29 PHE H H 1 7.917 0.030 . 1 . . . . 29 PHE H . 11228 1 268 . 1 1 29 29 PHE HA H 1 4.766 0.030 . 1 . . . . 29 PHE HA . 11228 1 269 . 1 1 29 29 PHE HB2 H 1 3.359 0.030 . 1 . . . . 29 PHE HB2 . 11228 1 270 . 1 1 29 29 PHE HB3 H 1 3.359 0.030 . 1 . . . . 29 PHE HB3 . 11228 1 271 . 1 1 29 29 PHE HD1 H 1 6.692 0.030 . 1 . . . . 29 PHE HD1 . 11228 1 272 . 1 1 29 29 PHE HD2 H 1 6.692 0.030 . 1 . . . . 29 PHE HD2 . 11228 1 273 . 1 1 29 29 PHE HE1 H 1 7.169 0.030 . 1 . . . . 29 PHE HE1 . 11228 1 274 . 1 1 29 29 PHE HE2 H 1 7.169 0.030 . 1 . . . . 29 PHE HE2 . 11228 1 275 . 1 1 29 29 PHE HZ H 1 6.722 0.030 . 1 . . . . 29 PHE HZ . 11228 1 276 . 1 1 29 29 PHE C C 13 174.693 0.300 . 1 . . . . 29 PHE C . 11228 1 277 . 1 1 29 29 PHE CA C 13 56.636 0.300 . 1 . . . . 29 PHE CA . 11228 1 278 . 1 1 29 29 PHE CB C 13 39.687 0.300 . 1 . . . . 29 PHE CB . 11228 1 279 . 1 1 29 29 PHE CD1 C 13 133.126 0.300 . 1 . . . . 29 PHE CD1 . 11228 1 280 . 1 1 29 29 PHE CD2 C 13 133.126 0.300 . 1 . . . . 29 PHE CD2 . 11228 1 281 . 1 1 29 29 PHE CE1 C 13 131.351 0.300 . 1 . . . . 29 PHE CE1 . 11228 1 282 . 1 1 29 29 PHE CE2 C 13 131.351 0.300 . 1 . . . . 29 PHE CE2 . 11228 1 283 . 1 1 29 29 PHE CZ C 13 127.658 0.300 . 1 . . . . 29 PHE CZ . 11228 1 284 . 1 1 29 29 PHE N N 15 112.251 0.300 . 1 . . . . 29 PHE N . 11228 1 285 . 1 1 30 30 LYS H H 1 9.472 0.030 . 1 . . . . 30 LYS H . 11228 1 286 . 1 1 30 30 LYS HA H 1 4.928 0.030 . 1 . . . . 30 LYS HA . 11228 1 287 . 1 1 30 30 LYS HB2 H 1 1.754 0.030 . 1 . . . . 30 LYS HB2 . 11228 1 288 . 1 1 30 30 LYS HB3 H 1 1.754 0.030 . 1 . . . . 30 LYS HB3 . 11228 1 289 . 1 1 30 30 LYS HD2 H 1 1.663 0.030 . 1 . . . . 30 LYS HD2 . 11228 1 290 . 1 1 30 30 LYS HD3 H 1 1.663 0.030 . 1 . . . . 30 LYS HD3 . 11228 1 291 . 1 1 30 30 LYS HE2 H 1 3.028 0.030 . 1 . . . . 30 LYS HE2 . 11228 1 292 . 1 1 30 30 LYS HE3 H 1 3.028 0.030 . 1 . . . . 30 LYS HE3 . 11228 1 293 . 1 1 30 30 LYS HG2 H 1 1.402 0.030 . 2 . . . . 30 LYS HG2 . 11228 1 294 . 1 1 30 30 LYS HG3 H 1 1.434 0.030 . 2 . . . . 30 LYS HG3 . 11228 1 295 . 1 1 30 30 LYS C C 13 175.545 0.300 . 1 . . . . 30 LYS C . 11228 1 296 . 1 1 30 30 LYS CA C 13 53.468 0.300 . 1 . . . . 30 LYS CA . 11228 1 297 . 1 1 30 30 LYS CB C 13 35.263 0.300 . 1 . . . . 30 LYS CB . 11228 1 298 . 1 1 30 30 LYS CD C 13 28.625 0.300 . 1 . . . . 30 LYS CD . 11228 1 299 . 1 1 30 30 LYS CE C 13 42.062 0.300 . 1 . . . . 30 LYS CE . 11228 1 300 . 1 1 30 30 LYS CG C 13 24.291 0.300 . 1 . . . . 30 LYS CG . 11228 1 301 . 1 1 30 30 LYS N N 15 121.768 0.300 . 1 . . . . 30 LYS N . 11228 1 302 . 1 1 31 31 ALA H H 1 9.133 0.030 . 1 . . . . 31 ALA H . 11228 1 303 . 1 1 31 31 ALA HA H 1 3.461 0.030 . 1 . . . . 31 ALA HA . 11228 1 304 . 1 1 31 31 ALA HB1 H 1 1.158 0.030 . 1 . . . . 31 ALA HB . 11228 1 305 . 1 1 31 31 ALA HB2 H 1 1.158 0.030 . 1 . . . . 31 ALA HB . 11228 1 306 . 1 1 31 31 ALA HB3 H 1 1.158 0.030 . 1 . . . . 31 ALA HB . 11228 1 307 . 1 1 31 31 ALA C C 13 178.193 0.300 . 1 . . . . 31 ALA C . 11228 1 308 . 1 1 31 31 ALA CA C 13 53.835 0.300 . 1 . . . . 31 ALA CA . 11228 1 309 . 1 1 31 31 ALA CB C 13 17.942 0.300 . 1 . . . . 31 ALA CB . 11228 1 310 . 1 1 31 31 ALA N N 15 122.942 0.300 . 1 . . . . 31 ALA N . 11228 1 311 . 1 1 32 32 GLY H H 1 8.910 0.030 . 1 . . . . 32 GLY H . 11228 1 312 . 1 1 32 32 GLY HA2 H 1 3.618 0.030 . 2 . . . . 32 GLY HA2 . 11228 1 313 . 1 1 32 32 GLY HA3 H 1 4.455 0.030 . 2 . . . . 32 GLY HA3 . 11228 1 314 . 1 1 32 32 GLY C C 13 174.540 0.300 . 1 . . . . 32 GLY C . 11228 1 315 . 1 1 32 32 GLY CA C 13 44.717 0.300 . 1 . . . . 32 GLY CA . 11228 1 316 . 1 1 32 32 GLY N N 15 112.571 0.300 . 1 . . . . 32 GLY N . 11228 1 317 . 1 1 33 33 ASP H H 1 8.361 0.030 . 1 . . . . 33 ASP H . 11228 1 318 . 1 1 33 33 ASP HA H 1 4.526 0.030 . 1 . . . . 33 ASP HA . 11228 1 319 . 1 1 33 33 ASP HB2 H 1 2.771 0.030 . 2 . . . . 33 ASP HB2 . 11228 1 320 . 1 1 33 33 ASP HB3 H 1 2.369 0.030 . 2 . . . . 33 ASP HB3 . 11228 1 321 . 1 1 33 33 ASP C C 13 174.564 0.300 . 1 . . . . 33 ASP C . 11228 1 322 . 1 1 33 33 ASP CA C 13 55.606 0.300 . 1 . . . . 33 ASP CA . 11228 1 323 . 1 1 33 33 ASP CB C 13 41.186 0.300 . 1 . . . . 33 ASP CB . 11228 1 324 . 1 1 33 33 ASP N N 15 122.530 0.300 . 1 . . . . 33 ASP N . 11228 1 325 . 1 1 34 34 VAL H H 1 8.016 0.030 . 1 . . . . 34 VAL H . 11228 1 326 . 1 1 34 34 VAL HA H 1 4.499 0.030 . 1 . . . . 34 VAL HA . 11228 1 327 . 1 1 34 34 VAL HB H 1 1.770 0.030 . 1 . . . . 34 VAL HB . 11228 1 328 . 1 1 34 34 VAL HG11 H 1 0.792 0.030 . 1 . . . . 34 VAL HG1 . 11228 1 329 . 1 1 34 34 VAL HG12 H 1 0.792 0.030 . 1 . . . . 34 VAL HG1 . 11228 1 330 . 1 1 34 34 VAL HG13 H 1 0.792 0.030 . 1 . . . . 34 VAL HG1 . 11228 1 331 . 1 1 34 34 VAL HG21 H 1 0.588 0.030 . 1 . . . . 34 VAL HG2 . 11228 1 332 . 1 1 34 34 VAL HG22 H 1 0.588 0.030 . 1 . . . . 34 VAL HG2 . 11228 1 333 . 1 1 34 34 VAL HG23 H 1 0.588 0.030 . 1 . . . . 34 VAL HG2 . 11228 1 334 . 1 1 34 34 VAL C C 13 175.329 0.300 . 1 . . . . 34 VAL C . 11228 1 335 . 1 1 34 34 VAL CA C 13 61.973 0.300 . 1 . . . . 34 VAL CA . 11228 1 336 . 1 1 34 34 VAL CB C 13 32.401 0.300 . 1 . . . . 34 VAL CB . 11228 1 337 . 1 1 34 34 VAL CG1 C 13 21.505 0.300 . 2 . . . . 34 VAL CG1 . 11228 1 338 . 1 1 34 34 VAL CG2 C 13 21.086 0.300 . 2 . . . . 34 VAL CG2 . 11228 1 339 . 1 1 34 34 VAL N N 15 119.892 0.300 . 1 . . . . 34 VAL N . 11228 1 340 . 1 1 35 35 ILE H H 1 9.000 0.030 . 1 . . . . 35 ILE H . 11228 1 341 . 1 1 35 35 ILE HA H 1 3.913 0.030 . 1 . . . . 35 ILE HA . 11228 1 342 . 1 1 35 35 ILE HB H 1 1.056 0.030 . 1 . . . . 35 ILE HB . 11228 1 343 . 1 1 35 35 ILE HD11 H 1 -0.620 0.030 . 1 . . . . 35 ILE HD1 . 11228 1 344 . 1 1 35 35 ILE HD12 H 1 -0.620 0.030 . 1 . . . . 35 ILE HD1 . 11228 1 345 . 1 1 35 35 ILE HD13 H 1 -0.620 0.030 . 1 . . . . 35 ILE HD1 . 11228 1 346 . 1 1 35 35 ILE HG12 H 1 0.647 0.030 . 2 . . . . 35 ILE HG12 . 11228 1 347 . 1 1 35 35 ILE HG13 H 1 0.174 0.030 . 2 . . . . 35 ILE HG13 . 11228 1 348 . 1 1 35 35 ILE HG21 H 1 0.329 0.030 . 1 . . . . 35 ILE HG2 . 11228 1 349 . 1 1 35 35 ILE HG22 H 1 0.329 0.030 . 1 . . . . 35 ILE HG2 . 11228 1 350 . 1 1 35 35 ILE HG23 H 1 0.329 0.030 . 1 . . . . 35 ILE HG2 . 11228 1 351 . 1 1 35 35 ILE C C 13 175.372 0.300 . 1 . . . . 35 ILE C . 11228 1 352 . 1 1 35 35 ILE CA C 13 60.079 0.300 . 1 . . . . 35 ILE CA . 11228 1 353 . 1 1 35 35 ILE CB C 13 42.649 0.300 . 1 . . . . 35 ILE CB . 11228 1 354 . 1 1 35 35 ILE CD1 C 13 14.386 0.300 . 1 . . . . 35 ILE CD1 . 11228 1 355 . 1 1 35 35 ILE CG1 C 13 28.659 0.300 . 1 . . . . 35 ILE CG1 . 11228 1 356 . 1 1 35 35 ILE CG2 C 13 18.688 0.300 . 1 . . . . 35 ILE CG2 . 11228 1 357 . 1 1 35 35 ILE N N 15 129.170 0.300 . 1 . . . . 35 ILE N . 11228 1 358 . 1 1 36 36 LYS H H 1 8.435 0.030 . 1 . . . . 36 LYS H . 11228 1 359 . 1 1 36 36 LYS HA H 1 4.570 0.030 . 1 . . . . 36 LYS HA . 11228 1 360 . 1 1 36 36 LYS HB2 H 1 1.822 0.030 . 2 . . . . 36 LYS HB2 . 11228 1 361 . 1 1 36 36 LYS HB3 H 1 1.683 0.030 . 2 . . . . 36 LYS HB3 . 11228 1 362 . 1 1 36 36 LYS HD2 H 1 1.623 0.030 . 2 . . . . 36 LYS HD2 . 11228 1 363 . 1 1 36 36 LYS HD3 H 1 1.591 0.030 . 2 . . . . 36 LYS HD3 . 11228 1 364 . 1 1 36 36 LYS HE2 H 1 2.897 0.030 . 1 . . . . 36 LYS HE2 . 11228 1 365 . 1 1 36 36 LYS HE3 H 1 2.897 0.030 . 1 . . . . 36 LYS HE3 . 11228 1 366 . 1 1 36 36 LYS HG2 H 1 1.233 0.030 . 2 . . . . 36 LYS HG2 . 11228 1 367 . 1 1 36 36 LYS HG3 H 1 1.482 0.030 . 2 . . . . 36 LYS HG3 . 11228 1 368 . 1 1 36 36 LYS C C 13 175.436 0.300 . 1 . . . . 36 LYS C . 11228 1 369 . 1 1 36 36 LYS CA C 13 55.666 0.300 . 1 . . . . 36 LYS CA . 11228 1 370 . 1 1 36 36 LYS CB C 13 32.720 0.300 . 1 . . . . 36 LYS CB . 11228 1 371 . 1 1 36 36 LYS CD C 13 29.429 0.300 . 1 . . . . 36 LYS CD . 11228 1 372 . 1 1 36 36 LYS CE C 13 42.056 0.300 . 1 . . . . 36 LYS CE . 11228 1 373 . 1 1 36 36 LYS CG C 13 24.821 0.300 . 1 . . . . 36 LYS CG . 11228 1 374 . 1 1 36 36 LYS N N 15 126.146 0.300 . 1 . . . . 36 LYS N . 11228 1 375 . 1 1 37 37 VAL H H 1 9.029 0.030 . 1 . . . . 37 VAL H . 11228 1 376 . 1 1 37 37 VAL HA H 1 3.951 0.030 . 1 . . . . 37 VAL HA . 11228 1 377 . 1 1 37 37 VAL HB H 1 2.017 0.030 . 1 . . . . 37 VAL HB . 11228 1 378 . 1 1 37 37 VAL HG11 H 1 1.011 0.030 . 1 . . . . 37 VAL HG1 . 11228 1 379 . 1 1 37 37 VAL HG12 H 1 1.011 0.030 . 1 . . . . 37 VAL HG1 . 11228 1 380 . 1 1 37 37 VAL HG13 H 1 1.011 0.030 . 1 . . . . 37 VAL HG1 . 11228 1 381 . 1 1 37 37 VAL HG21 H 1 0.587 0.030 . 1 . . . . 37 VAL HG2 . 11228 1 382 . 1 1 37 37 VAL HG22 H 1 0.587 0.030 . 1 . . . . 37 VAL HG2 . 11228 1 383 . 1 1 37 37 VAL HG23 H 1 0.587 0.030 . 1 . . . . 37 VAL HG2 . 11228 1 384 . 1 1 37 37 VAL C C 13 174.976 0.300 . 1 . . . . 37 VAL C . 11228 1 385 . 1 1 37 37 VAL CA C 13 64.211 0.300 . 1 . . . . 37 VAL CA . 11228 1 386 . 1 1 37 37 VAL CB C 13 31.142 0.300 . 1 . . . . 37 VAL CB . 11228 1 387 . 1 1 37 37 VAL CG1 C 13 22.377 0.300 . 2 . . . . 37 VAL CG1 . 11228 1 388 . 1 1 37 37 VAL CG2 C 13 22.233 0.300 . 2 . . . . 37 VAL CG2 . 11228 1 389 . 1 1 37 37 VAL N N 15 127.395 0.300 . 1 . . . . 37 VAL N . 11228 1 390 . 1 1 38 38 LEU H H 1 8.814 0.030 . 1 . . . . 38 LEU H . 11228 1 391 . 1 1 38 38 LEU HA H 1 4.508 0.030 . 1 . . . . 38 LEU HA . 11228 1 392 . 1 1 38 38 LEU HB2 H 1 1.655 0.030 . 2 . . . . 38 LEU HB2 . 11228 1 393 . 1 1 38 38 LEU HB3 H 1 1.615 0.030 . 2 . . . . 38 LEU HB3 . 11228 1 394 . 1 1 38 38 LEU HD11 H 1 0.785 0.030 . 1 . . . . 38 LEU HD1 . 11228 1 395 . 1 1 38 38 LEU HD12 H 1 0.785 0.030 . 1 . . . . 38 LEU HD1 . 11228 1 396 . 1 1 38 38 LEU HD13 H 1 0.785 0.030 . 1 . . . . 38 LEU HD1 . 11228 1 397 . 1 1 38 38 LEU HD21 H 1 0.819 0.030 . 1 . . . . 38 LEU HD2 . 11228 1 398 . 1 1 38 38 LEU HD22 H 1 0.819 0.030 . 1 . . . . 38 LEU HD2 . 11228 1 399 . 1 1 38 38 LEU HD23 H 1 0.819 0.030 . 1 . . . . 38 LEU HD2 . 11228 1 400 . 1 1 38 38 LEU HG H 1 1.613 0.030 . 1 . . . . 38 LEU HG . 11228 1 401 . 1 1 38 38 LEU C C 13 177.465 0.300 . 1 . . . . 38 LEU C . 11228 1 402 . 1 1 38 38 LEU CA C 13 55.669 0.300 . 1 . . . . 38 LEU CA . 11228 1 403 . 1 1 38 38 LEU CB C 13 43.204 0.300 . 1 . . . . 38 LEU CB . 11228 1 404 . 1 1 38 38 LEU CD1 C 13 25.114 0.300 . 2 . . . . 38 LEU CD1 . 11228 1 405 . 1 1 38 38 LEU CD2 C 13 23.019 0.300 . 2 . . . . 38 LEU CD2 . 11228 1 406 . 1 1 38 38 LEU CG C 13 27.893 0.300 . 1 . . . . 38 LEU CG . 11228 1 407 . 1 1 38 38 LEU N N 15 128.794 0.300 . 1 . . . . 38 LEU N . 11228 1 408 . 1 1 39 39 ASP H H 1 7.841 0.030 . 1 . . . . 39 ASP H . 11228 1 409 . 1 1 39 39 ASP HA H 1 4.675 0.030 . 1 . . . . 39 ASP HA . 11228 1 410 . 1 1 39 39 ASP HB2 H 1 2.916 0.030 . 2 . . . . 39 ASP HB2 . 11228 1 411 . 1 1 39 39 ASP HB3 H 1 2.635 0.030 . 2 . . . . 39 ASP HB3 . 11228 1 412 . 1 1 39 39 ASP C C 13 174.856 0.300 . 1 . . . . 39 ASP C . 11228 1 413 . 1 1 39 39 ASP CA C 13 54.989 0.300 . 1 . . . . 39 ASP CA . 11228 1 414 . 1 1 39 39 ASP CB C 13 42.783 0.300 . 1 . . . . 39 ASP CB . 11228 1 415 . 1 1 39 39 ASP N N 15 116.136 0.300 . 1 . . . . 39 ASP N . 11228 1 416 . 1 1 40 40 ALA H H 1 8.880 0.030 . 1 . . . . 40 ALA H . 11228 1 417 . 1 1 40 40 ALA HA H 1 3.999 0.030 . 1 . . . . 40 ALA HA . 11228 1 418 . 1 1 40 40 ALA HB1 H 1 0.078 0.030 . 1 . . . . 40 ALA HB . 11228 1 419 . 1 1 40 40 ALA HB2 H 1 0.078 0.030 . 1 . . . . 40 ALA HB . 11228 1 420 . 1 1 40 40 ALA HB3 H 1 0.078 0.030 . 1 . . . . 40 ALA HB . 11228 1 421 . 1 1 40 40 ALA C C 13 176.819 0.300 . 1 . . . . 40 ALA C . 11228 1 422 . 1 1 40 40 ALA CA C 13 50.400 0.300 . 1 . . . . 40 ALA CA . 11228 1 423 . 1 1 40 40 ALA CB C 13 17.092 0.300 . 1 . . . . 40 ALA CB . 11228 1 424 . 1 1 40 40 ALA N N 15 133.609 0.300 . 1 . . . . 40 ALA N . 11228 1 425 . 1 1 41 41 SER H H 1 8.508 0.030 . 1 . . . . 41 SER H . 11228 1 426 . 1 1 41 41 SER HA H 1 4.072 0.030 . 1 . . . . 41 SER HA . 11228 1 427 . 1 1 41 41 SER HB2 H 1 3.970 0.030 . 1 . . . . 41 SER HB2 . 11228 1 428 . 1 1 41 41 SER HB3 H 1 3.970 0.030 . 1 . . . . 41 SER HB3 . 11228 1 429 . 1 1 41 41 SER C C 13 175.236 0.300 . 1 . . . . 41 SER C . 11228 1 430 . 1 1 41 41 SER CA C 13 61.650 0.300 . 1 . . . . 41 SER CA . 11228 1 431 . 1 1 41 41 SER CB C 13 63.346 0.300 . 1 . . . . 41 SER CB . 11228 1 432 . 1 1 41 41 SER N N 15 116.455 0.300 . 1 . . . . 41 SER N . 11228 1 433 . 1 1 42 42 ASN H H 1 8.876 0.030 . 1 . . . . 42 ASN H . 11228 1 434 . 1 1 42 42 ASN HA H 1 4.954 0.030 . 1 . . . . 42 ASN HA . 11228 1 435 . 1 1 42 42 ASN HB2 H 1 3.048 0.030 . 2 . . . . 42 ASN HB2 . 11228 1 436 . 1 1 42 42 ASN HB3 H 1 3.591 0.030 . 2 . . . . 42 ASN HB3 . 11228 1 437 . 1 1 42 42 ASN HD21 H 1 8.014 0.030 . 2 . . . . 42 ASN HD21 . 11228 1 438 . 1 1 42 42 ASN HD22 H 1 7.255 0.030 . 2 . . . . 42 ASN HD22 . 11228 1 439 . 1 1 42 42 ASN C C 13 174.661 0.300 . 1 . . . . 42 ASN C . 11228 1 440 . 1 1 42 42 ASN CA C 13 52.919 0.300 . 1 . . . . 42 ASN CA . 11228 1 441 . 1 1 42 42 ASN CB C 13 40.786 0.300 . 1 . . . . 42 ASN CB . 11228 1 442 . 1 1 42 42 ASN N N 15 123.588 0.300 . 1 . . . . 42 ASN N . 11228 1 443 . 1 1 42 42 ASN ND2 N 15 114.843 0.300 . 1 . . . . 42 ASN ND2 . 11228 1 444 . 1 1 43 43 LYS H H 1 8.478 0.030 . 1 . . . . 43 LYS H . 11228 1 445 . 1 1 43 43 LYS HA H 1 4.271 0.030 . 1 . . . . 43 LYS HA . 11228 1 446 . 1 1 43 43 LYS HB2 H 1 1.865 0.030 . 2 . . . . 43 LYS HB2 . 11228 1 447 . 1 1 43 43 LYS HB3 H 1 1.788 0.030 . 2 . . . . 43 LYS HB3 . 11228 1 448 . 1 1 43 43 LYS HD2 H 1 1.724 0.030 . 1 . . . . 43 LYS HD2 . 11228 1 449 . 1 1 43 43 LYS HD3 H 1 1.724 0.030 . 1 . . . . 43 LYS HD3 . 11228 1 450 . 1 1 43 43 LYS HE2 H 1 3.056 0.030 . 1 . . . . 43 LYS HE2 . 11228 1 451 . 1 1 43 43 LYS HE3 H 1 3.056 0.030 . 1 . . . . 43 LYS HE3 . 11228 1 452 . 1 1 43 43 LYS HG2 H 1 1.466 0.030 . 1 . . . . 43 LYS HG2 . 11228 1 453 . 1 1 43 43 LYS HG3 H 1 1.466 0.030 . 1 . . . . 43 LYS HG3 . 11228 1 454 . 1 1 43 43 LYS C C 13 176.461 0.300 . 1 . . . . 43 LYS C . 11228 1 455 . 1 1 43 43 LYS CA C 13 58.598 0.300 . 1 . . . . 43 LYS CA . 11228 1 456 . 1 1 43 43 LYS CB C 13 32.845 0.300 . 1 . . . . 43 LYS CB . 11228 1 457 . 1 1 43 43 LYS CD C 13 29.114 0.300 . 1 . . . . 43 LYS CD . 11228 1 458 . 1 1 43 43 LYS CE C 13 42.062 0.300 . 1 . . . . 43 LYS CE . 11228 1 459 . 1 1 43 43 LYS CG C 13 24.163 0.300 . 1 . . . . 43 LYS CG . 11228 1 460 . 1 1 43 43 LYS N N 15 120.232 0.300 . 1 . . . . 43 LYS N . 11228 1 461 . 1 1 44 44 ASP H H 1 8.175 0.030 . 1 . . . . 44 ASP H . 11228 1 462 . 1 1 44 44 ASP HA H 1 4.592 0.030 . 1 . . . . 44 ASP HA . 11228 1 463 . 1 1 44 44 ASP HB2 H 1 2.586 0.030 . 2 . . . . 44 ASP HB2 . 11228 1 464 . 1 1 44 44 ASP HB3 H 1 2.378 0.030 . 2 . . . . 44 ASP HB3 . 11228 1 465 . 1 1 44 44 ASP C C 13 176.606 0.300 . 1 . . . . 44 ASP C . 11228 1 466 . 1 1 44 44 ASP CA C 13 55.595 0.300 . 1 . . . . 44 ASP CA . 11228 1 467 . 1 1 44 44 ASP CB C 13 43.488 0.300 . 1 . . . . 44 ASP CB . 11228 1 468 . 1 1 44 44 ASP N N 15 114.287 0.300 . 1 . . . . 44 ASP N . 11228 1 469 . 1 1 45 45 TRP H H 1 8.039 0.030 . 1 . . . . 45 TRP H . 11228 1 470 . 1 1 45 45 TRP HA H 1 4.999 0.030 . 1 . . . . 45 TRP HA . 11228 1 471 . 1 1 45 45 TRP HB2 H 1 3.046 0.030 . 2 . . . . 45 TRP HB2 . 11228 1 472 . 1 1 45 45 TRP HB3 H 1 2.696 0.030 . 2 . . . . 45 TRP HB3 . 11228 1 473 . 1 1 45 45 TRP HD1 H 1 7.148 0.030 . 1 . . . . 45 TRP HD1 . 11228 1 474 . 1 1 45 45 TRP HE1 H 1 10.189 0.030 . 1 . . . . 45 TRP HE1 . 11228 1 475 . 1 1 45 45 TRP HE3 H 1 7.328 0.030 . 1 . . . . 45 TRP HE3 . 11228 1 476 . 1 1 45 45 TRP HH2 H 1 7.233 0.030 . 1 . . . . 45 TRP HH2 . 11228 1 477 . 1 1 45 45 TRP HZ2 H 1 7.312 0.030 . 1 . . . . 45 TRP HZ2 . 11228 1 478 . 1 1 45 45 TRP HZ3 H 1 6.767 0.030 . 1 . . . . 45 TRP HZ3 . 11228 1 479 . 1 1 45 45 TRP C C 13 173.830 0.300 . 1 . . . . 45 TRP C . 11228 1 480 . 1 1 45 45 TRP CA C 13 56.367 0.300 . 1 . . . . 45 TRP CA . 11228 1 481 . 1 1 45 45 TRP CB C 13 31.982 0.300 . 1 . . . . 45 TRP CB . 11228 1 482 . 1 1 45 45 TRP CD1 C 13 127.219 0.300 . 1 . . . . 45 TRP CD1 . 11228 1 483 . 1 1 45 45 TRP CE3 C 13 120.028 0.300 . 1 . . . . 45 TRP CE3 . 11228 1 484 . 1 1 45 45 TRP CH2 C 13 124.809 0.300 . 1 . . . . 45 TRP CH2 . 11228 1 485 . 1 1 45 45 TRP CZ2 C 13 114.759 0.300 . 1 . . . . 45 TRP CZ2 . 11228 1 486 . 1 1 45 45 TRP CZ3 C 13 120.148 0.300 . 1 . . . . 45 TRP CZ3 . 11228 1 487 . 1 1 45 45 TRP N N 15 123.492 0.300 . 1 . . . . 45 TRP N . 11228 1 488 . 1 1 46 46 TRP H H 1 8.852 0.030 . 1 . . . . 46 TRP H . 11228 1 489 . 1 1 46 46 TRP HA H 1 5.475 0.030 . 1 . . . . 46 TRP HA . 11228 1 490 . 1 1 46 46 TRP HB2 H 1 2.750 0.030 . 2 . . . . 46 TRP HB2 . 11228 1 491 . 1 1 46 46 TRP HB3 H 1 2.077 0.030 . 2 . . . . 46 TRP HB3 . 11228 1 492 . 1 1 46 46 TRP HD1 H 1 7.416 0.030 . 1 . . . . 46 TRP HD1 . 11228 1 493 . 1 1 46 46 TRP HE1 H 1 9.260 0.030 . 1 . . . . 46 TRP HE1 . 11228 1 494 . 1 1 46 46 TRP HE3 H 1 7.391 0.030 . 1 . . . . 46 TRP HE3 . 11228 1 495 . 1 1 46 46 TRP HH2 H 1 7.144 0.030 . 1 . . . . 46 TRP HH2 . 11228 1 496 . 1 1 46 46 TRP HZ2 H 1 7.498 0.030 . 1 . . . . 46 TRP HZ2 . 11228 1 497 . 1 1 46 46 TRP HZ3 H 1 6.746 0.030 . 1 . . . . 46 TRP HZ3 . 11228 1 498 . 1 1 46 46 TRP C C 13 173.057 0.300 . 1 . . . . 46 TRP C . 11228 1 499 . 1 1 46 46 TRP CA C 13 53.276 0.300 . 1 . . . . 46 TRP CA . 11228 1 500 . 1 1 46 46 TRP CB C 13 34.008 0.300 . 1 . . . . 46 TRP CB . 11228 1 501 . 1 1 46 46 TRP CD1 C 13 124.934 0.300 . 1 . . . . 46 TRP CD1 . 11228 1 502 . 1 1 46 46 TRP CE3 C 13 120.270 0.300 . 1 . . . . 46 TRP CE3 . 11228 1 503 . 1 1 46 46 TRP CH2 C 13 123.769 0.300 . 1 . . . . 46 TRP CH2 . 11228 1 504 . 1 1 46 46 TRP CZ2 C 13 114.529 0.300 . 1 . . . . 46 TRP CZ2 . 11228 1 505 . 1 1 46 46 TRP CZ3 C 13 120.545 0.300 . 1 . . . . 46 TRP CZ3 . 11228 1 506 . 1 1 46 46 TRP N N 15 125.373 0.300 . 1 . . . . 46 TRP N . 11228 1 507 . 1 1 46 46 TRP NE1 N 15 128.765 0.300 . 1 . . . . 46 TRP NE1 . 11228 1 508 . 1 1 47 47 TRP H H 1 8.524 0.030 . 1 . . . . 47 TRP H . 11228 1 509 . 1 1 47 47 TRP HA H 1 4.963 0.030 . 1 . . . . 47 TRP HA . 11228 1 510 . 1 1 47 47 TRP HB2 H 1 2.816 0.030 . 2 . . . . 47 TRP HB2 . 11228 1 511 . 1 1 47 47 TRP HB3 H 1 1.951 0.030 . 2 . . . . 47 TRP HB3 . 11228 1 512 . 1 1 47 47 TRP HD1 H 1 6.622 0.030 . 1 . . . . 47 TRP HD1 . 11228 1 513 . 1 1 47 47 TRP HE1 H 1 10.657 0.030 . 1 . . . . 47 TRP HE1 . 11228 1 514 . 1 1 47 47 TRP HE3 H 1 7.599 0.030 . 1 . . . . 47 TRP HE3 . 11228 1 515 . 1 1 47 47 TRP HH2 H 1 6.989 0.030 . 1 . . . . 47 TRP HH2 . 11228 1 516 . 1 1 47 47 TRP HZ2 H 1 7.245 0.030 . 1 . . . . 47 TRP HZ2 . 11228 1 517 . 1 1 47 47 TRP HZ3 H 1 6.582 0.030 . 1 . . . . 47 TRP HZ3 . 11228 1 518 . 1 1 47 47 TRP C C 13 177.085 0.300 . 1 . . . . 47 TRP C . 11228 1 519 . 1 1 47 47 TRP CA C 13 55.368 0.300 . 1 . . . . 47 TRP CA . 11228 1 520 . 1 1 47 47 TRP CB C 13 30.971 0.300 . 1 . . . . 47 TRP CB . 11228 1 521 . 1 1 47 47 TRP CD1 C 13 126.411 0.300 . 1 . . . . 47 TRP CD1 . 11228 1 522 . 1 1 47 47 TRP CE3 C 13 120.825 0.300 . 1 . . . . 47 TRP CE3 . 11228 1 523 . 1 1 47 47 TRP CH2 C 13 123.634 0.300 . 1 . . . . 47 TRP CH2 . 11228 1 524 . 1 1 47 47 TRP CZ2 C 13 114.324 0.300 . 1 . . . . 47 TRP CZ2 . 11228 1 525 . 1 1 47 47 TRP CZ3 C 13 121.647 0.300 . 1 . . . . 47 TRP CZ3 . 11228 1 526 . 1 1 47 47 TRP N N 15 121.219 0.300 . 1 . . . . 47 TRP N . 11228 1 527 . 1 1 47 47 TRP NE1 N 15 130.122 0.300 . 1 . . . . 47 TRP NE1 . 11228 1 528 . 1 1 48 48 GLY H H 1 8.659 0.030 . 1 . . . . 48 GLY H . 11228 1 529 . 1 1 48 48 GLY HA2 H 1 4.973 0.030 . 2 . . . . 48 GLY HA2 . 11228 1 530 . 1 1 48 48 GLY HA3 H 1 3.792 0.030 . 2 . . . . 48 GLY HA3 . 11228 1 531 . 1 1 48 48 GLY C C 13 169.520 0.300 . 1 . . . . 48 GLY C . 11228 1 532 . 1 1 48 48 GLY CA C 13 45.553 0.300 . 1 . . . . 48 GLY CA . 11228 1 533 . 1 1 48 48 GLY N N 15 115.465 0.300 . 1 . . . . 48 GLY N . 11228 1 534 . 1 1 49 49 GLN H H 1 8.806 0.030 . 1 . . . . 49 GLN H . 11228 1 535 . 1 1 49 49 GLN HA H 1 5.422 0.030 . 1 . . . . 49 GLN HA . 11228 1 536 . 1 1 49 49 GLN HB2 H 1 1.898 0.030 . 2 . . . . 49 GLN HB2 . 11228 1 537 . 1 1 49 49 GLN HB3 H 1 1.838 0.030 . 2 . . . . 49 GLN HB3 . 11228 1 538 . 1 1 49 49 GLN HE21 H 1 6.646 0.030 . 2 . . . . 49 GLN HE21 . 11228 1 539 . 1 1 49 49 GLN HE22 H 1 7.633 0.030 . 2 . . . . 49 GLN HE22 . 11228 1 540 . 1 1 49 49 GLN HG2 H 1 2.267 0.030 . 2 . . . . 49 GLN HG2 . 11228 1 541 . 1 1 49 49 GLN HG3 H 1 2.092 0.030 . 2 . . . . 49 GLN HG3 . 11228 1 542 . 1 1 49 49 GLN C C 13 175.089 0.300 . 1 . . . . 49 GLN C . 11228 1 543 . 1 1 49 49 GLN CA C 13 54.139 0.300 . 1 . . . . 49 GLN CA . 11228 1 544 . 1 1 49 49 GLN CB C 13 34.488 0.300 . 1 . . . . 49 GLN CB . 11228 1 545 . 1 1 49 49 GLN CG C 13 33.905 0.300 . 1 . . . . 49 GLN CG . 11228 1 546 . 1 1 49 49 GLN N N 15 117.856 0.300 . 1 . . . . 49 GLN N . 11228 1 547 . 1 1 49 49 GLN NE2 N 15 110.737 0.300 . 1 . . . . 49 GLN NE2 . 11228 1 548 . 1 1 50 50 ILE H H 1 8.591 0.030 . 1 . . . . 50 ILE H . 11228 1 549 . 1 1 50 50 ILE HA H 1 4.200 0.030 . 1 . . . . 50 ILE HA . 11228 1 550 . 1 1 50 50 ILE HB H 1 1.691 0.030 . 1 . . . . 50 ILE HB . 11228 1 551 . 1 1 50 50 ILE HD11 H 1 0.882 0.030 . 1 . . . . 50 ILE HD1 . 11228 1 552 . 1 1 50 50 ILE HD12 H 1 0.882 0.030 . 1 . . . . 50 ILE HD1 . 11228 1 553 . 1 1 50 50 ILE HD13 H 1 0.882 0.030 . 1 . . . . 50 ILE HD1 . 11228 1 554 . 1 1 50 50 ILE HG12 H 1 1.455 0.030 . 2 . . . . 50 ILE HG12 . 11228 1 555 . 1 1 50 50 ILE HG13 H 1 1.095 0.030 . 2 . . . . 50 ILE HG13 . 11228 1 556 . 1 1 50 50 ILE HG21 H 1 0.931 0.030 . 1 . . . . 50 ILE HG2 . 11228 1 557 . 1 1 50 50 ILE HG22 H 1 0.931 0.030 . 1 . . . . 50 ILE HG2 . 11228 1 558 . 1 1 50 50 ILE HG23 H 1 0.931 0.030 . 1 . . . . 50 ILE HG2 . 11228 1 559 . 1 1 50 50 ILE C C 13 175.219 0.300 . 1 . . . . 50 ILE C . 11228 1 560 . 1 1 50 50 ILE CA C 13 61.804 0.300 . 1 . . . . 50 ILE CA . 11228 1 561 . 1 1 50 50 ILE CB C 13 40.656 0.300 . 1 . . . . 50 ILE CB . 11228 1 562 . 1 1 50 50 ILE CD1 C 13 14.758 0.300 . 1 . . . . 50 ILE CD1 . 11228 1 563 . 1 1 50 50 ILE CG1 C 13 28.050 0.300 . 1 . . . . 50 ILE CG1 . 11228 1 564 . 1 1 50 50 ILE CG2 C 13 17.085 0.300 . 1 . . . . 50 ILE CG2 . 11228 1 565 . 1 1 50 50 ILE N N 15 125.213 0.300 . 1 . . . . 50 ILE N . 11228 1 566 . 1 1 51 51 ASP H H 1 9.256 0.030 . 1 . . . . 51 ASP H . 11228 1 567 . 1 1 51 51 ASP HA H 1 4.128 0.030 . 1 . . . . 51 ASP HA . 11228 1 568 . 1 1 51 51 ASP HB2 H 1 2.946 0.030 . 2 . . . . 51 ASP HB2 . 11228 1 569 . 1 1 51 51 ASP HB3 H 1 2.856 0.030 . 2 . . . . 51 ASP HB3 . 11228 1 570 . 1 1 51 51 ASP C C 13 174.948 0.300 . 1 . . . . 51 ASP C . 11228 1 571 . 1 1 51 51 ASP CA C 13 56.881 0.300 . 1 . . . . 51 ASP CA . 11228 1 572 . 1 1 51 51 ASP CB C 13 39.231 0.300 . 1 . . . . 51 ASP CB . 11228 1 573 . 1 1 51 51 ASP N N 15 127.992 0.300 . 1 . . . . 51 ASP N . 11228 1 574 . 1 1 52 52 ASP H H 1 8.451 0.030 . 1 . . . . 52 ASP H . 11228 1 575 . 1 1 52 52 ASP HA H 1 4.730 0.030 . 1 . . . . 52 ASP HA . 11228 1 576 . 1 1 52 52 ASP HB2 H 1 2.829 0.030 . 2 . . . . 52 ASP HB2 . 11228 1 577 . 1 1 52 52 ASP HB3 H 1 2.733 0.030 . 2 . . . . 52 ASP HB3 . 11228 1 578 . 1 1 52 52 ASP C C 13 175.783 0.300 . 1 . . . . 52 ASP C . 11228 1 579 . 1 1 52 52 ASP CA C 13 54.828 0.300 . 1 . . . . 52 ASP CA . 11228 1 580 . 1 1 52 52 ASP CB C 13 40.877 0.300 . 1 . . . . 52 ASP CB . 11228 1 581 . 1 1 52 52 ASP N N 15 120.647 0.300 . 1 . . . . 52 ASP N . 11228 1 582 . 1 1 53 53 GLU H H 1 8.326 0.030 . 1 . . . . 53 GLU H . 11228 1 583 . 1 1 53 53 GLU HA H 1 4.596 0.030 . 1 . . . . 53 GLU HA . 11228 1 584 . 1 1 53 53 GLU HB2 H 1 2.026 0.030 . 1 . . . . 53 GLU HB2 . 11228 1 585 . 1 1 53 53 GLU HB3 H 1 2.026 0.030 . 1 . . . . 53 GLU HB3 . 11228 1 586 . 1 1 53 53 GLU HG2 H 1 2.389 0.030 . 2 . . . . 53 GLU HG2 . 11228 1 587 . 1 1 53 53 GLU HG3 H 1 2.288 0.030 . 2 . . . . 53 GLU HG3 . 11228 1 588 . 1 1 53 53 GLU C C 13 174.689 0.300 . 1 . . . . 53 GLU C . 11228 1 589 . 1 1 53 53 GLU CA C 13 55.594 0.300 . 1 . . . . 53 GLU CA . 11228 1 590 . 1 1 53 53 GLU CB C 13 31.666 0.300 . 1 . . . . 53 GLU CB . 11228 1 591 . 1 1 53 53 GLU CG C 13 35.975 0.300 . 1 . . . . 53 GLU CG . 11228 1 592 . 1 1 53 53 GLU N N 15 121.460 0.300 . 1 . . . . 53 GLU N . 11228 1 593 . 1 1 54 54 GLU H H 1 8.233 0.030 . 1 . . . . 54 GLU H . 11228 1 594 . 1 1 54 54 GLU HA H 1 5.364 0.030 . 1 . . . . 54 GLU HA . 11228 1 595 . 1 1 54 54 GLU HB2 H 1 1.720 0.030 . 2 . . . . 54 GLU HB2 . 11228 1 596 . 1 1 54 54 GLU HB3 H 1 1.841 0.030 . 2 . . . . 54 GLU HB3 . 11228 1 597 . 1 1 54 54 GLU HG2 H 1 2.125 0.030 . 1 . . . . 54 GLU HG2 . 11228 1 598 . 1 1 54 54 GLU HG3 H 1 2.125 0.030 . 1 . . . . 54 GLU HG3 . 11228 1 599 . 1 1 54 54 GLU C C 13 175.833 0.300 . 1 . . . . 54 GLU C . 11228 1 600 . 1 1 54 54 GLU CA C 13 53.689 0.300 . 1 . . . . 54 GLU CA . 11228 1 601 . 1 1 54 54 GLU CB C 13 33.972 0.300 . 1 . . . . 54 GLU CB . 11228 1 602 . 1 1 54 54 GLU CG C 13 36.014 0.300 . 1 . . . . 54 GLU CG . 11228 1 603 . 1 1 54 54 GLU N N 15 118.246 0.300 . 1 . . . . 54 GLU N . 11228 1 604 . 1 1 55 55 GLY H H 1 7.596 0.030 . 1 . . . . 55 GLY H . 11228 1 605 . 1 1 55 55 GLY HA2 H 1 2.610 0.030 . 2 . . . . 55 GLY HA2 . 11228 1 606 . 1 1 55 55 GLY HA3 H 1 3.427 0.030 . 2 . . . . 55 GLY HA3 . 11228 1 607 . 1 1 55 55 GLY C C 13 169.544 0.300 . 1 . . . . 55 GLY C . 11228 1 608 . 1 1 55 55 GLY CA C 13 45.039 0.300 . 1 . . . . 55 GLY CA . 11228 1 609 . 1 1 55 55 GLY N N 15 106.843 0.300 . 1 . . . . 55 GLY N . 11228 1 610 . 1 1 56 56 TRP H H 1 8.863 0.030 . 1 . . . . 56 TRP H . 11228 1 611 . 1 1 56 56 TRP HA H 1 5.875 0.030 . 1 . . . . 56 TRP HA . 11228 1 612 . 1 1 56 56 TRP HB2 H 1 3.170 0.030 . 2 . . . . 56 TRP HB2 . 11228 1 613 . 1 1 56 56 TRP HB3 H 1 3.375 0.030 . 2 . . . . 56 TRP HB3 . 11228 1 614 . 1 1 56 56 TRP HD1 H 1 7.602 0.030 . 1 . . . . 56 TRP HD1 . 11228 1 615 . 1 1 56 56 TRP HE1 H 1 10.113 0.030 . 1 . . . . 56 TRP HE1 . 11228 1 616 . 1 1 56 56 TRP HE3 H 1 5.463 0.030 . 1 . . . . 56 TRP HE3 . 11228 1 617 . 1 1 56 56 TRP HH2 H 1 7.251 0.030 . 1 . . . . 56 TRP HH2 . 11228 1 618 . 1 1 56 56 TRP HZ3 H 1 7.273 0.030 . 1 . . . . 56 TRP HZ3 . 11228 1 619 . 1 1 56 56 TRP C C 13 175.069 0.300 . 1 . . . . 56 TRP C . 11228 1 620 . 1 1 56 56 TRP CA C 13 56.550 0.300 . 1 . . . . 56 TRP CA . 11228 1 621 . 1 1 56 56 TRP CB C 13 32.915 0.300 . 1 . . . . 56 TRP CB . 11228 1 622 . 1 1 56 56 TRP CD1 C 13 128.560 0.300 . 1 . . . . 56 TRP CD1 . 11228 1 623 . 1 1 56 56 TRP CE3 C 13 119.858 0.300 . 1 . . . . 56 TRP CE3 . 11228 1 624 . 1 1 56 56 TRP CH2 C 13 124.591 0.300 . 1 . . . . 56 TRP CH2 . 11228 1 625 . 1 1 56 56 TRP CZ3 C 13 122.378 0.300 . 1 . . . . 56 TRP CZ3 . 11228 1 626 . 1 1 56 56 TRP N N 15 119.834 0.300 . 1 . . . . 56 TRP N . 11228 1 627 . 1 1 56 56 TRP NE1 N 15 129.438 0.300 . 1 . . . . 56 TRP NE1 . 11228 1 628 . 1 1 57 57 PHE H H 1 9.567 0.030 . 1 . . . . 57 PHE H . 11228 1 629 . 1 1 57 57 PHE HA H 1 5.027 0.030 . 1 . . . . 57 PHE HA . 11228 1 630 . 1 1 57 57 PHE HB2 H 1 3.420 0.030 . 2 . . . . 57 PHE HB2 . 11228 1 631 . 1 1 57 57 PHE HB3 H 1 2.678 0.030 . 2 . . . . 57 PHE HB3 . 11228 1 632 . 1 1 57 57 PHE HD1 H 1 7.156 0.030 . 1 . . . . 57 PHE HD1 . 11228 1 633 . 1 1 57 57 PHE HD2 H 1 7.156 0.030 . 1 . . . . 57 PHE HD2 . 11228 1 634 . 1 1 57 57 PHE HE1 H 1 6.966 0.030 . 1 . . . . 57 PHE HE1 . 11228 1 635 . 1 1 57 57 PHE HE2 H 1 6.966 0.030 . 1 . . . . 57 PHE HE2 . 11228 1 636 . 1 1 57 57 PHE HZ H 1 7.241 0.030 . 1 . . . . 57 PHE HZ . 11228 1 637 . 1 1 57 57 PHE CA C 13 55.882 0.300 . 1 . . . . 57 PHE CA . 11228 1 638 . 1 1 57 57 PHE CB C 13 39.581 0.300 . 1 . . . . 57 PHE CB . 11228 1 639 . 1 1 57 57 PHE CD1 C 13 133.932 0.300 . 1 . . . . 57 PHE CD1 . 11228 1 640 . 1 1 57 57 PHE CD2 C 13 133.932 0.300 . 1 . . . . 57 PHE CD2 . 11228 1 641 . 1 1 57 57 PHE CE1 C 13 129.948 0.300 . 1 . . . . 57 PHE CE1 . 11228 1 642 . 1 1 57 57 PHE CE2 C 13 129.948 0.300 . 1 . . . . 57 PHE CE2 . 11228 1 643 . 1 1 57 57 PHE CZ C 13 128.525 0.300 . 1 . . . . 57 PHE CZ . 11228 1 644 . 1 1 57 57 PHE N N 15 116.842 0.300 . 1 . . . . 57 PHE N . 11228 1 645 . 1 1 58 58 PRO HA H 1 3.912 0.030 . 1 . . . . 58 PRO HA . 11228 1 646 . 1 1 58 58 PRO HB2 H 1 1.430 0.030 . 2 . . . . 58 PRO HB2 . 11228 1 647 . 1 1 58 58 PRO HB3 H 1 1.343 0.030 . 2 . . . . 58 PRO HB3 . 11228 1 648 . 1 1 58 58 PRO HD2 H 1 2.300 0.030 . 2 . . . . 58 PRO HD2 . 11228 1 649 . 1 1 58 58 PRO HD3 H 1 2.816 0.030 . 2 . . . . 58 PRO HD3 . 11228 1 650 . 1 1 58 58 PRO HG2 H 1 0.801 0.030 . 1 . . . . 58 PRO HG2 . 11228 1 651 . 1 1 58 58 PRO HG3 H 1 0.801 0.030 . 1 . . . . 58 PRO HG3 . 11228 1 652 . 1 1 58 58 PRO C C 13 177.418 0.300 . 1 . . . . 58 PRO C . 11228 1 653 . 1 1 58 58 PRO CA C 13 61.262 0.300 . 1 . . . . 58 PRO CA . 11228 1 654 . 1 1 58 58 PRO CB C 13 30.677 0.300 . 1 . . . . 58 PRO CB . 11228 1 655 . 1 1 58 58 PRO CD C 13 50.146 0.300 . 1 . . . . 58 PRO CD . 11228 1 656 . 1 1 58 58 PRO CG C 13 27.162 0.300 . 1 . . . . 58 PRO CG . 11228 1 657 . 1 1 59 59 ALA H H 1 7.413 0.030 . 1 . . . . 59 ALA H . 11228 1 658 . 1 1 59 59 ALA HA H 1 2.748 0.030 . 1 . . . . 59 ALA HA . 11228 1 659 . 1 1 59 59 ALA HB1 H 1 -0.235 0.030 . 1 . . . . 59 ALA HB . 11228 1 660 . 1 1 59 59 ALA HB2 H 1 -0.235 0.030 . 1 . . . . 59 ALA HB . 11228 1 661 . 1 1 59 59 ALA HB3 H 1 -0.235 0.030 . 1 . . . . 59 ALA HB . 11228 1 662 . 1 1 59 59 ALA C C 13 178.565 0.300 . 1 . . . . 59 ALA C . 11228 1 663 . 1 1 59 59 ALA CA C 13 54.762 0.300 . 1 . . . . 59 ALA CA . 11228 1 664 . 1 1 59 59 ALA CB C 13 16.246 0.300 . 1 . . . . 59 ALA CB . 11228 1 665 . 1 1 59 59 ALA N N 15 130.123 0.300 . 1 . . . . 59 ALA N . 11228 1 666 . 1 1 60 60 SER H H 1 8.094 0.030 . 1 . . . . 60 SER H . 11228 1 667 . 1 1 60 60 SER HA H 1 4.129 0.030 . 1 . . . . 60 SER HA . 11228 1 668 . 1 1 60 60 SER HB2 H 1 3.820 0.030 . 2 . . . . 60 SER HB2 . 11228 1 669 . 1 1 60 60 SER HB3 H 1 4.079 0.030 . 2 . . . . 60 SER HB3 . 11228 1 670 . 1 1 60 60 SER C C 13 175.508 0.300 . 1 . . . . 60 SER C . 11228 1 671 . 1 1 60 60 SER CA C 13 59.590 0.300 . 1 . . . . 60 SER CA . 11228 1 672 . 1 1 60 60 SER CB C 13 63.152 0.300 . 1 . . . . 60 SER CB . 11228 1 673 . 1 1 60 60 SER N N 15 107.958 0.300 . 1 . . . . 60 SER N . 11228 1 674 . 1 1 61 61 PHE H H 1 8.073 0.030 . 1 . . . . 61 PHE H . 11228 1 675 . 1 1 61 61 PHE HA H 1 4.753 0.030 . 1 . . . . 61 PHE HA . 11228 1 676 . 1 1 61 61 PHE HB2 H 1 3.808 0.030 . 2 . . . . 61 PHE HB2 . 11228 1 677 . 1 1 61 61 PHE HB3 H 1 3.630 0.030 . 2 . . . . 61 PHE HB3 . 11228 1 678 . 1 1 61 61 PHE HD1 H 1 7.326 0.030 . 1 . . . . 61 PHE HD1 . 11228 1 679 . 1 1 61 61 PHE HD2 H 1 7.326 0.030 . 1 . . . . 61 PHE HD2 . 11228 1 680 . 1 1 61 61 PHE HE1 H 1 7.506 0.030 . 1 . . . . 61 PHE HE1 . 11228 1 681 . 1 1 61 61 PHE HE2 H 1 7.506 0.030 . 1 . . . . 61 PHE HE2 . 11228 1 682 . 1 1 61 61 PHE HZ H 1 7.372 0.030 . 1 . . . . 61 PHE HZ . 11228 1 683 . 1 1 61 61 PHE C C 13 175.591 0.300 . 1 . . . . 61 PHE C . 11228 1 684 . 1 1 61 61 PHE CA C 13 58.123 0.300 . 1 . . . . 61 PHE CA . 11228 1 685 . 1 1 61 61 PHE CB C 13 38.369 0.300 . 1 . . . . 61 PHE CB . 11228 1 686 . 1 1 61 61 PHE CD1 C 13 130.203 0.300 . 1 . . . . 61 PHE CD1 . 11228 1 687 . 1 1 61 61 PHE CD2 C 13 130.203 0.300 . 1 . . . . 61 PHE CD2 . 11228 1 688 . 1 1 61 61 PHE CE1 C 13 131.735 0.300 . 1 . . . . 61 PHE CE1 . 11228 1 689 . 1 1 61 61 PHE CE2 C 13 131.735 0.300 . 1 . . . . 61 PHE CE2 . 11228 1 690 . 1 1 61 61 PHE CZ C 13 129.915 0.300 . 1 . . . . 61 PHE CZ . 11228 1 691 . 1 1 61 61 PHE N N 15 121.525 0.300 . 1 . . . . 61 PHE N . 11228 1 692 . 1 1 62 62 VAL H H 1 7.630 0.030 . 1 . . . . 62 VAL H . 11228 1 693 . 1 1 62 62 VAL HA H 1 5.314 0.030 . 1 . . . . 62 VAL HA . 11228 1 694 . 1 1 62 62 VAL HB H 1 1.816 0.030 . 1 . . . . 62 VAL HB . 11228 1 695 . 1 1 62 62 VAL HG11 H 1 0.439 0.030 . 1 . . . . 62 VAL HG1 . 11228 1 696 . 1 1 62 62 VAL HG12 H 1 0.439 0.030 . 1 . . . . 62 VAL HG1 . 11228 1 697 . 1 1 62 62 VAL HG13 H 1 0.439 0.030 . 1 . . . . 62 VAL HG1 . 11228 1 698 . 1 1 62 62 VAL HG21 H 1 0.918 0.030 . 1 . . . . 62 VAL HG2 . 11228 1 699 . 1 1 62 62 VAL HG22 H 1 0.918 0.030 . 1 . . . . 62 VAL HG2 . 11228 1 700 . 1 1 62 62 VAL HG23 H 1 0.918 0.030 . 1 . . . . 62 VAL HG2 . 11228 1 701 . 1 1 62 62 VAL C C 13 173.719 0.300 . 1 . . . . 62 VAL C . 11228 1 702 . 1 1 62 62 VAL CA C 13 58.359 0.300 . 1 . . . . 62 VAL CA . 11228 1 703 . 1 1 62 62 VAL CB C 13 35.458 0.300 . 1 . . . . 62 VAL CB . 11228 1 704 . 1 1 62 62 VAL CG1 C 13 21.813 0.300 . 2 . . . . 62 VAL CG1 . 11228 1 705 . 1 1 62 62 VAL CG2 C 13 19.521 0.300 . 2 . . . . 62 VAL CG2 . 11228 1 706 . 1 1 62 62 VAL N N 15 109.996 0.300 . 1 . . . . 62 VAL N . 11228 1 707 . 1 1 63 63 ARG H H 1 8.891 0.030 . 1 . . . . 63 ARG H . 11228 1 708 . 1 1 63 63 ARG HA H 1 4.859 0.030 . 1 . . . . 63 ARG HA . 11228 1 709 . 1 1 63 63 ARG HB2 H 1 1.704 0.030 . 1 . . . . 63 ARG HB2 . 11228 1 710 . 1 1 63 63 ARG HB3 H 1 1.704 0.030 . 1 . . . . 63 ARG HB3 . 11228 1 711 . 1 1 63 63 ARG HD2 H 1 3.137 0.030 . 2 . . . . 63 ARG HD2 . 11228 1 712 . 1 1 63 63 ARG HD3 H 1 3.061 0.030 . 2 . . . . 63 ARG HD3 . 11228 1 713 . 1 1 63 63 ARG HG2 H 1 1.536 0.030 . 1 . . . . 63 ARG HG2 . 11228 1 714 . 1 1 63 63 ARG HG3 H 1 1.536 0.030 . 1 . . . . 63 ARG HG3 . 11228 1 715 . 1 1 63 63 ARG C C 13 175.498 0.300 . 1 . . . . 63 ARG C . 11228 1 716 . 1 1 63 63 ARG CA C 13 53.734 0.300 . 1 . . . . 63 ARG CA . 11228 1 717 . 1 1 63 63 ARG CB C 13 33.133 0.300 . 1 . . . . 63 ARG CB . 11228 1 718 . 1 1 63 63 ARG CD C 13 43.525 0.300 . 1 . . . . 63 ARG CD . 11228 1 719 . 1 1 63 63 ARG CG C 13 26.577 0.300 . 1 . . . . 63 ARG CG . 11228 1 720 . 1 1 63 63 ARG N N 15 119.007 0.300 . 1 . . . . 63 ARG N . 11228 1 721 . 1 1 64 64 LEU H H 1 8.914 0.030 . 1 . . . . 64 LEU H . 11228 1 722 . 1 1 64 64 LEU HA H 1 4.441 0.030 . 1 . . . . 64 LEU HA . 11228 1 723 . 1 1 64 64 LEU HB2 H 1 1.778 0.030 . 2 . . . . 64 LEU HB2 . 11228 1 724 . 1 1 64 64 LEU HB3 H 1 1.648 0.030 . 2 . . . . 64 LEU HB3 . 11228 1 725 . 1 1 64 64 LEU HD11 H 1 1.038 0.030 . 1 . . . . 64 LEU HD1 . 11228 1 726 . 1 1 64 64 LEU HD12 H 1 1.038 0.030 . 1 . . . . 64 LEU HD1 . 11228 1 727 . 1 1 64 64 LEU HD13 H 1 1.038 0.030 . 1 . . . . 64 LEU HD1 . 11228 1 728 . 1 1 64 64 LEU HD21 H 1 0.952 0.030 . 1 . . . . 64 LEU HD2 . 11228 1 729 . 1 1 64 64 LEU HD22 H 1 0.952 0.030 . 1 . . . . 64 LEU HD2 . 11228 1 730 . 1 1 64 64 LEU HD23 H 1 0.952 0.030 . 1 . . . . 64 LEU HD2 . 11228 1 731 . 1 1 64 64 LEU HG H 1 1.899 0.030 . 1 . . . . 64 LEU HG . 11228 1 732 . 1 1 64 64 LEU C C 13 177.118 0.300 . 1 . . . . 64 LEU C . 11228 1 733 . 1 1 64 64 LEU CA C 13 55.844 0.300 . 1 . . . . 64 LEU CA . 11228 1 734 . 1 1 64 64 LEU CB C 13 42.516 0.300 . 1 . . . . 64 LEU CB . 11228 1 735 . 1 1 64 64 LEU CD1 C 13 25.176 0.300 . 2 . . . . 64 LEU CD1 . 11228 1 736 . 1 1 64 64 LEU CD2 C 13 23.870 0.300 . 2 . . . . 64 LEU CD2 . 11228 1 737 . 1 1 64 64 LEU CG C 13 27.277 0.300 . 1 . . . . 64 LEU CG . 11228 1 738 . 1 1 64 64 LEU N N 15 125.244 0.300 . 1 . . . . 64 LEU N . 11228 1 739 . 1 1 65 65 TRP H H 1 8.571 0.030 . 1 . . . . 65 TRP H . 11228 1 740 . 1 1 65 65 TRP HA H 1 4.769 0.030 . 1 . . . . 65 TRP HA . 11228 1 741 . 1 1 65 65 TRP HB2 H 1 3.147 0.030 . 2 . . . . 65 TRP HB2 . 11228 1 742 . 1 1 65 65 TRP HB3 H 1 3.069 0.030 . 2 . . . . 65 TRP HB3 . 11228 1 743 . 1 1 65 65 TRP HD1 H 1 7.089 0.030 . 1 . . . . 65 TRP HD1 . 11228 1 744 . 1 1 65 65 TRP HE1 H 1 10.042 0.030 . 1 . . . . 65 TRP HE1 . 11228 1 745 . 1 1 65 65 TRP HE3 H 1 7.511 0.030 . 1 . . . . 65 TRP HE3 . 11228 1 746 . 1 1 65 65 TRP HH2 H 1 7.187 0.030 . 1 . . . . 65 TRP HH2 . 11228 1 747 . 1 1 65 65 TRP HZ2 H 1 7.434 0.030 . 1 . . . . 65 TRP HZ2 . 11228 1 748 . 1 1 65 65 TRP HZ3 H 1 7.072 0.030 . 1 . . . . 65 TRP HZ3 . 11228 1 749 . 1 1 65 65 TRP C C 13 175.643 0.300 . 1 . . . . 65 TRP C . 11228 1 750 . 1 1 65 65 TRP CA C 13 57.074 0.300 . 1 . . . . 65 TRP CA . 11228 1 751 . 1 1 65 65 TRP CB C 13 29.708 0.300 . 1 . . . . 65 TRP CB . 11228 1 752 . 1 1 65 65 TRP CD1 C 13 125.650 0.300 . 1 . . . . 65 TRP CD1 . 11228 1 753 . 1 1 65 65 TRP CE3 C 13 120.539 0.300 . 1 . . . . 65 TRP CE3 . 11228 1 754 . 1 1 65 65 TRP CH2 C 13 124.531 0.300 . 1 . . . . 65 TRP CH2 . 11228 1 755 . 1 1 65 65 TRP CZ2 C 13 114.368 0.300 . 1 . . . . 65 TRP CZ2 . 11228 1 756 . 1 1 65 65 TRP CZ3 C 13 121.838 0.300 . 1 . . . . 65 TRP CZ3 . 11228 1 757 . 1 1 65 65 TRP N N 15 124.298 0.300 . 1 . . . . 65 TRP N . 11228 1 758 . 1 1 65 65 TRP NE1 N 15 128.651 0.300 . 1 . . . . 65 TRP NE1 . 11228 1 759 . 1 1 66 66 VAL H H 1 7.905 0.030 . 1 . . . . 66 VAL H . 11228 1 760 . 1 1 66 66 VAL HA H 1 4.105 0.030 . 1 . . . . 66 VAL HA . 11228 1 761 . 1 1 66 66 VAL HB H 1 1.939 0.030 . 1 . . . . 66 VAL HB . 11228 1 762 . 1 1 66 66 VAL HG11 H 1 0.857 0.030 . 1 . . . . 66 VAL HG1 . 11228 1 763 . 1 1 66 66 VAL HG12 H 1 0.857 0.030 . 1 . . . . 66 VAL HG1 . 11228 1 764 . 1 1 66 66 VAL HG13 H 1 0.857 0.030 . 1 . . . . 66 VAL HG1 . 11228 1 765 . 1 1 66 66 VAL HG21 H 1 0.850 0.030 . 1 . . . . 66 VAL HG2 . 11228 1 766 . 1 1 66 66 VAL HG22 H 1 0.850 0.030 . 1 . . . . 66 VAL HG2 . 11228 1 767 . 1 1 66 66 VAL HG23 H 1 0.850 0.030 . 1 . . . . 66 VAL HG2 . 11228 1 768 . 1 1 66 66 VAL C C 13 174.973 0.300 . 1 . . . . 66 VAL C . 11228 1 769 . 1 1 66 66 VAL CA C 13 61.363 0.300 . 1 . . . . 66 VAL CA . 11228 1 770 . 1 1 66 66 VAL CB C 13 33.556 0.300 . 1 . . . . 66 VAL CB . 11228 1 771 . 1 1 66 66 VAL CG1 C 13 21.132 0.300 . 2 . . . . 66 VAL CG1 . 11228 1 772 . 1 1 66 66 VAL CG2 C 13 20.279 0.300 . 2 . . . . 66 VAL CG2 . 11228 1 773 . 1 1 66 66 VAL N N 15 122.731 0.300 . 1 . . . . 66 VAL N . 11228 1 774 . 1 1 67 67 ASN H H 1 8.415 0.030 . 1 . . . . 67 ASN H . 11228 1 775 . 1 1 67 67 ASN HA H 1 4.514 0.030 . 1 . . . . 67 ASN HA . 11228 1 776 . 1 1 67 67 ASN HB2 H 1 2.622 0.030 . 2 . . . . 67 ASN HB2 . 11228 1 777 . 1 1 67 67 ASN HB3 H 1 2.786 0.030 . 2 . . . . 67 ASN HB3 . 11228 1 778 . 1 1 67 67 ASN HD21 H 1 7.620 0.030 . 2 . . . . 67 ASN HD21 . 11228 1 779 . 1 1 67 67 ASN HD22 H 1 6.977 0.030 . 2 . . . . 67 ASN HD22 . 11228 1 780 . 1 1 67 67 ASN C C 13 175.135 0.300 . 1 . . . . 67 ASN C . 11228 1 781 . 1 1 67 67 ASN CA C 13 53.109 0.300 . 1 . . . . 67 ASN CA . 11228 1 782 . 1 1 67 67 ASN CB C 13 38.875 0.300 . 1 . . . . 67 ASN CB . 11228 1 783 . 1 1 67 67 ASN N N 15 123.005 0.300 . 1 . . . . 67 ASN N . 11228 1 784 . 1 1 67 67 ASN ND2 N 15 113.114 0.300 . 1 . . . . 67 ASN ND2 . 11228 1 785 . 1 1 68 68 GLN H H 1 8.481 0.030 . 1 . . . . 68 GLN H . 11228 1 786 . 1 1 68 68 GLN HA H 1 4.281 0.030 . 1 . . . . 68 GLN HA . 11228 1 787 . 1 1 68 68 GLN HB2 H 1 2.101 0.030 . 2 . . . . 68 GLN HB2 . 11228 1 788 . 1 1 68 68 GLN HB3 H 1 1.943 0.030 . 2 . . . . 68 GLN HB3 . 11228 1 789 . 1 1 68 68 GLN HE21 H 1 6.803 0.030 . 2 . . . . 68 GLN HE21 . 11228 1 790 . 1 1 68 68 GLN HE22 H 1 7.548 0.030 . 2 . . . . 68 GLN HE22 . 11228 1 791 . 1 1 68 68 GLN HG2 H 1 2.302 0.030 . 1 . . . . 68 GLN HG2 . 11228 1 792 . 1 1 68 68 GLN HG3 H 1 2.302 0.030 . 1 . . . . 68 GLN HG3 . 11228 1 793 . 1 1 68 68 GLN C C 13 175.934 0.300 . 1 . . . . 68 GLN C . 11228 1 794 . 1 1 68 68 GLN CA C 13 56.048 0.300 . 1 . . . . 68 GLN CA . 11228 1 795 . 1 1 68 68 GLN CB C 13 29.438 0.300 . 1 . . . . 68 GLN CB . 11228 1 796 . 1 1 68 68 GLN CG C 13 33.734 0.300 . 1 . . . . 68 GLN CG . 11228 1 797 . 1 1 68 68 GLN N N 15 122.343 0.300 . 1 . . . . 68 GLN N . 11228 1 798 . 1 1 68 68 GLN NE2 N 15 112.545 0.300 . 1 . . . . 68 GLN NE2 . 11228 1 799 . 1 1 69 69 GLU H H 1 8.466 0.030 . 1 . . . . 69 GLU H . 11228 1 800 . 1 1 69 69 GLU HA H 1 4.264 0.030 . 1 . . . . 69 GLU HA . 11228 1 801 . 1 1 69 69 GLU HB2 H 1 2.048 0.030 . 2 . . . . 69 GLU HB2 . 11228 1 802 . 1 1 69 69 GLU HB3 H 1 1.907 0.030 . 2 . . . . 69 GLU HB3 . 11228 1 803 . 1 1 69 69 GLU HG2 H 1 2.261 0.030 . 1 . . . . 69 GLU HG2 . 11228 1 804 . 1 1 69 69 GLU HG3 H 1 2.261 0.030 . 1 . . . . 69 GLU HG3 . 11228 1 805 . 1 1 69 69 GLU C C 13 176.189 0.300 . 1 . . . . 69 GLU C . 11228 1 806 . 1 1 69 69 GLU CA C 13 56.637 0.300 . 1 . . . . 69 GLU CA . 11228 1 807 . 1 1 69 69 GLU CB C 13 30.265 0.300 . 1 . . . . 69 GLU CB . 11228 1 808 . 1 1 69 69 GLU CG C 13 36.255 0.300 . 1 . . . . 69 GLU CG . 11228 1 809 . 1 1 69 69 GLU N N 15 121.768 0.300 . 1 . . . . 69 GLU N . 11228 1 810 . 1 1 70 70 ASP H H 1 8.275 0.030 . 1 . . . . 70 ASP H . 11228 1 811 . 1 1 70 70 ASP HA H 1 4.574 0.030 . 1 . . . . 70 ASP HA . 11228 1 812 . 1 1 70 70 ASP HB2 H 1 2.681 0.030 . 2 . . . . 70 ASP HB2 . 11228 1 813 . 1 1 70 70 ASP HB3 H 1 2.569 0.030 . 2 . . . . 70 ASP HB3 . 11228 1 814 . 1 1 70 70 ASP C C 13 176.131 0.300 . 1 . . . . 70 ASP C . 11228 1 815 . 1 1 70 70 ASP CA C 13 54.458 0.300 . 1 . . . . 70 ASP CA . 11228 1 816 . 1 1 70 70 ASP CB C 13 41.273 0.300 . 1 . . . . 70 ASP CB . 11228 1 817 . 1 1 70 70 ASP N N 15 121.004 0.300 . 1 . . . . 70 ASP N . 11228 1 818 . 1 1 71 71 GLU H H 1 8.271 0.030 . 1 . . . . 71 GLU H . 11228 1 819 . 1 1 71 71 GLU HA H 1 4.290 0.030 . 1 . . . . 71 GLU HA . 11228 1 820 . 1 1 71 71 GLU HB2 H 1 2.025 0.030 . 2 . . . . 71 GLU HB2 . 11228 1 821 . 1 1 71 71 GLU HB3 H 1 1.915 0.030 . 2 . . . . 71 GLU HB3 . 11228 1 822 . 1 1 71 71 GLU HG2 H 1 2.263 0.030 . 2 . . . . 71 GLU HG2 . 11228 1 823 . 1 1 71 71 GLU HG3 H 1 2.206 0.030 . 2 . . . . 71 GLU HG3 . 11228 1 824 . 1 1 71 71 GLU C C 13 176.316 0.300 . 1 . . . . 71 GLU C . 11228 1 825 . 1 1 71 71 GLU CA C 13 56.400 0.300 . 1 . . . . 71 GLU CA . 11228 1 826 . 1 1 71 71 GLU CB C 13 30.349 0.300 . 1 . . . . 71 GLU CB . 11228 1 827 . 1 1 71 71 GLU CG C 13 36.237 0.300 . 1 . . . . 71 GLU CG . 11228 1 828 . 1 1 71 71 GLU N N 15 121.374 0.300 . 1 . . . . 71 GLU N . 11228 1 829 . 1 1 72 72 VAL H H 1 8.192 0.030 . 1 . . . . 72 VAL H . 11228 1 830 . 1 1 72 72 VAL HA H 1 4.106 0.030 . 1 . . . . 72 VAL HA . 11228 1 831 . 1 1 72 72 VAL HB H 1 2.052 0.030 . 1 . . . . 72 VAL HB . 11228 1 832 . 1 1 72 72 VAL HG11 H 1 0.908 0.030 . 1 . . . . 72 VAL HG1 . 11228 1 833 . 1 1 72 72 VAL HG12 H 1 0.908 0.030 . 1 . . . . 72 VAL HG1 . 11228 1 834 . 1 1 72 72 VAL HG13 H 1 0.908 0.030 . 1 . . . . 72 VAL HG1 . 11228 1 835 . 1 1 72 72 VAL HG21 H 1 0.920 0.030 . 1 . . . . 72 VAL HG2 . 11228 1 836 . 1 1 72 72 VAL HG22 H 1 0.920 0.030 . 1 . . . . 72 VAL HG2 . 11228 1 837 . 1 1 72 72 VAL HG23 H 1 0.920 0.030 . 1 . . . . 72 VAL HG2 . 11228 1 838 . 1 1 72 72 VAL C C 13 176.082 0.300 . 1 . . . . 72 VAL C . 11228 1 839 . 1 1 72 72 VAL CA C 13 62.107 0.300 . 1 . . . . 72 VAL CA . 11228 1 840 . 1 1 72 72 VAL CB C 13 32.929 0.300 . 1 . . . . 72 VAL CB . 11228 1 841 . 1 1 72 72 VAL CG1 C 13 21.155 0.300 . 2 . . . . 72 VAL CG1 . 11228 1 842 . 1 1 72 72 VAL CG2 C 13 20.516 0.300 . 2 . . . . 72 VAL CG2 . 11228 1 843 . 1 1 72 72 VAL N N 15 121.688 0.300 . 1 . . . . 72 VAL N . 11228 1 844 . 1 1 73 73 GLU H H 1 8.511 0.030 . 1 . . . . 73 GLU H . 11228 1 845 . 1 1 73 73 GLU HA H 1 4.297 0.030 . 1 . . . . 73 GLU HA . 11228 1 846 . 1 1 73 73 GLU HB2 H 1 2.020 0.030 . 2 . . . . 73 GLU HB2 . 11228 1 847 . 1 1 73 73 GLU HB3 H 1 1.927 0.030 . 2 . . . . 73 GLU HB3 . 11228 1 848 . 1 1 73 73 GLU HG2 H 1 2.269 0.030 . 1 . . . . 73 GLU HG2 . 11228 1 849 . 1 1 73 73 GLU HG3 H 1 2.269 0.030 . 1 . . . . 73 GLU HG3 . 11228 1 850 . 1 1 73 73 GLU C C 13 176.480 0.300 . 1 . . . . 73 GLU C . 11228 1 851 . 1 1 73 73 GLU CA C 13 56.324 0.300 . 1 . . . . 73 GLU CA . 11228 1 852 . 1 1 73 73 GLU CB C 13 30.383 0.300 . 1 . . . . 73 GLU CB . 11228 1 853 . 1 1 73 73 GLU CG C 13 36.232 0.300 . 1 . . . . 73 GLU CG . 11228 1 854 . 1 1 73 73 GLU N N 15 125.491 0.300 . 1 . . . . 73 GLU N . 11228 1 855 . 1 1 74 74 GLU H H 1 8.598 0.030 . 1 . . . . 74 GLU H . 11228 1 856 . 1 1 74 74 GLU HA H 1 4.256 0.030 . 1 . . . . 74 GLU HA . 11228 1 857 . 1 1 74 74 GLU HB2 H 1 2.039 0.030 . 2 . . . . 74 GLU HB2 . 11228 1 858 . 1 1 74 74 GLU HB3 H 1 1.971 0.030 . 2 . . . . 74 GLU HB3 . 11228 1 859 . 1 1 74 74 GLU HG2 H 1 2.262 0.030 . 1 . . . . 74 GLU HG2 . 11228 1 860 . 1 1 74 74 GLU HG3 H 1 2.262 0.030 . 1 . . . . 74 GLU HG3 . 11228 1 861 . 1 1 74 74 GLU C C 13 177.148 0.300 . 1 . . . . 74 GLU C . 11228 1 862 . 1 1 74 74 GLU CA C 13 56.972 0.300 . 1 . . . . 74 GLU CA . 11228 1 863 . 1 1 74 74 GLU CB C 13 30.271 0.300 . 1 . . . . 74 GLU CB . 11228 1 864 . 1 1 74 74 GLU CG C 13 36.259 0.300 . 1 . . . . 74 GLU CG . 11228 1 865 . 1 1 74 74 GLU N N 15 123.707 0.300 . 1 . . . . 74 GLU N . 11228 1 866 . 1 1 75 75 GLY H H 1 8.551 0.030 . 1 . . . . 75 GLY H . 11228 1 867 . 1 1 75 75 GLY HA2 H 1 4.008 0.030 . 1 . . . . 75 GLY HA2 . 11228 1 868 . 1 1 75 75 GLY HA3 H 1 4.008 0.030 . 1 . . . . 75 GLY HA3 . 11228 1 869 . 1 1 75 75 GLY C C 13 174.313 0.300 . 1 . . . . 75 GLY C . 11228 1 870 . 1 1 75 75 GLY CA C 13 45.344 0.300 . 1 . . . . 75 GLY CA . 11228 1 871 . 1 1 75 75 GLY N N 15 110.716 0.300 . 1 . . . . 75 GLY N . 11228 1 872 . 1 1 76 76 SER H H 1 8.251 0.030 . 1 . . . . 76 SER H . 11228 1 873 . 1 1 76 76 SER HA H 1 4.532 0.030 . 1 . . . . 76 SER HA . 11228 1 874 . 1 1 76 76 SER HB2 H 1 3.903 0.030 . 1 . . . . 76 SER HB2 . 11228 1 875 . 1 1 76 76 SER HB3 H 1 3.903 0.030 . 1 . . . . 76 SER HB3 . 11228 1 876 . 1 1 76 76 SER C C 13 174.717 0.300 . 1 . . . . 76 SER C . 11228 1 877 . 1 1 76 76 SER CA C 13 58.363 0.300 . 1 . . . . 76 SER CA . 11228 1 878 . 1 1 76 76 SER CB C 13 63.879 0.300 . 1 . . . . 76 SER CB . 11228 1 879 . 1 1 76 76 SER N N 15 115.523 0.300 . 1 . . . . 76 SER N . 11228 1 880 . 1 1 77 77 GLY H H 1 8.336 0.030 . 1 . . . . 77 GLY H . 11228 1 881 . 1 1 77 77 GLY HA2 H 1 4.149 0.030 . 2 . . . . 77 GLY HA2 . 11228 1 882 . 1 1 77 77 GLY HA3 H 1 4.095 0.030 . 2 . . . . 77 GLY HA3 . 11228 1 883 . 1 1 77 77 GLY C C 13 171.871 0.300 . 1 . . . . 77 GLY C . 11228 1 884 . 1 1 77 77 GLY CA C 13 44.624 0.300 . 1 . . . . 77 GLY CA . 11228 1 885 . 1 1 77 77 GLY N N 15 110.794 0.300 . 1 . . . . 77 GLY N . 11228 1 886 . 1 1 78 78 PRO HA H 1 4.481 0.030 . 1 . . . . 78 PRO HA . 11228 1 887 . 1 1 78 78 PRO HB2 H 1 1.969 0.030 . 2 . . . . 78 PRO HB2 . 11228 1 888 . 1 1 78 78 PRO HB3 H 1 2.293 0.030 . 2 . . . . 78 PRO HB3 . 11228 1 889 . 1 1 78 78 PRO HD2 H 1 3.625 0.030 . 1 . . . . 78 PRO HD2 . 11228 1 890 . 1 1 78 78 PRO HD3 H 1 3.625 0.030 . 1 . . . . 78 PRO HD3 . 11228 1 891 . 1 1 78 78 PRO HG2 H 1 2.030 0.030 . 1 . . . . 78 PRO HG2 . 11228 1 892 . 1 1 78 78 PRO HG3 H 1 2.030 0.030 . 1 . . . . 78 PRO HG3 . 11228 1 893 . 1 1 78 78 PRO C C 13 177.431 0.300 . 1 . . . . 78 PRO C . 11228 1 894 . 1 1 78 78 PRO CA C 13 63.181 0.300 . 1 . . . . 78 PRO CA . 11228 1 895 . 1 1 78 78 PRO CB C 13 32.143 0.300 . 1 . . . . 78 PRO CB . 11228 1 896 . 1 1 78 78 PRO CD C 13 49.764 0.300 . 1 . . . . 78 PRO CD . 11228 1 897 . 1 1 78 78 PRO CG C 13 27.166 0.300 . 1 . . . . 78 PRO CG . 11228 1 898 . 1 1 79 79 SER H H 1 8.536 0.030 . 1 . . . . 79 SER H . 11228 1 899 . 1 1 79 79 SER HA H 1 4.518 0.030 . 1 . . . . 79 SER HA . 11228 1 900 . 1 1 79 79 SER HB2 H 1 3.923 0.030 . 1 . . . . 79 SER HB2 . 11228 1 901 . 1 1 79 79 SER HB3 H 1 3.923 0.030 . 1 . . . . 79 SER HB3 . 11228 1 902 . 1 1 79 79 SER C C 13 174.744 0.300 . 1 . . . . 79 SER C . 11228 1 903 . 1 1 79 79 SER CA C 13 58.393 0.300 . 1 . . . . 79 SER CA . 11228 1 904 . 1 1 79 79 SER CB C 13 63.679 0.300 . 1 . . . . 79 SER CB . 11228 1 905 . 1 1 79 79 SER N N 15 116.505 0.300 . 1 . . . . 79 SER N . 11228 1 906 . 1 1 80 80 SER H H 1 8.352 0.030 . 1 . . . . 80 SER H . 11228 1 907 . 1 1 80 80 SER HA H 1 4.503 0.030 . 1 . . . . 80 SER HA . 11228 1 908 . 1 1 80 80 SER HB2 H 1 3.905 0.030 . 1 . . . . 80 SER HB2 . 11228 1 909 . 1 1 80 80 SER HB3 H 1 3.905 0.030 . 1 . . . . 80 SER HB3 . 11228 1 910 . 1 1 80 80 SER C C 13 173.965 0.300 . 1 . . . . 80 SER C . 11228 1 911 . 1 1 80 80 SER CA C 13 58.393 0.300 . 1 . . . . 80 SER CA . 11228 1 912 . 1 1 80 80 SER CB C 13 63.945 0.300 . 1 . . . . 80 SER CB . 11228 1 913 . 1 1 80 80 SER N N 15 117.971 0.300 . 1 . . . . 80 SER N . 11228 1 914 . 1 1 81 81 GLY H H 1 8.053 0.030 . 1 . . . . 81 GLY H . 11228 1 915 . 1 1 81 81 GLY HA2 H 1 3.796 0.030 . 2 . . . . 81 GLY HA2 . 11228 1 916 . 1 1 81 81 GLY HA3 H 1 3.752 0.030 . 2 . . . . 81 GLY HA3 . 11228 1 917 . 1 1 81 81 GLY C C 13 179.027 0.300 . 1 . . . . 81 GLY C . 11228 1 918 . 1 1 81 81 GLY CA C 13 46.177 0.300 . 1 . . . . 81 GLY CA . 11228 1 919 . 1 1 81 81 GLY N N 15 116.894 0.300 . 1 . . . . 81 GLY N . 11228 1 stop_ save_