data_11155 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11155 _Entry.Title ; Solution structure of the SH3 domain of Abl interactor 2 (Abelson interactor 2) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-15 _Entry.Accession_date 2010-04-15 _Entry.Last_release_date 2011-05-05 _Entry.Original_release_date 2011-05-05 _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 H. Abe . . . 11155 2 N. Tochio . . . 11155 3 K. Miyamoto . . . 11155 4 K. Saito . . . 11155 5 T. Kigawa . . . 11155 6 S. Yokoyama . . . 11155 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)' . 11155 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11155 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 11155 '15N chemical shifts' 70 11155 '1H chemical shifts' 491 11155 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 . . 2011-05-05 2010-04-15 original author . 11155 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ED0 'BMRB Entry Tracking System' 11155 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11155 _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 of Abl interactor 2 (Abelson interactor 2)' _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 H. Abe . . . 11155 1 2 N. Tochio . . . 11155 1 3 K. Miyamoto . . . 11155 1 4 K. Saito . . . 11155 1 5 T. Kigawa . . . 11155 1 6 S. Yokoyama . . . 11155 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11155 _Assembly.ID 1 _Assembly.Name 'Abl interactor 2' _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 . . . 11155 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 2ed0 . . . . . . 11155 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11155 _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 ; GSSGSSGDPPWAPRSYLEKV VAIYDYTKDKEDELSFQEGA IIYVIKKNDDGWYEGVMNGV TGLFPGNYVESISGPSSG ; _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 78 _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 2ED0 . "Solution Structure Of The Sh3 Domain Of Abl Interactor 2 (Abelson Interactor 2)" . . . . . 100.00 78 100.00 100.00 6.13e-47 . . . . 11155 1 2 no PDB 4N78 . "The Wave Regulatory Complex Links Diverse Receptors To The Actin Cytoskeleton" . . . . . 83.33 514 100.00 100.00 8.05e-38 . . . . 11155 1 3 no DBJ BAE23233 . "unnamed protein product [Mus musculus]" . . . . . 83.33 87 98.46 100.00 1.84e-38 . . . . 11155 1 4 no DBJ BAE89457 . "unnamed protein product [Macaca fascicularis]" . . . . . 83.33 299 100.00 100.00 2.43e-39 . . . . 11155 1 5 no DBJ BAG57674 . "unnamed protein product [Homo sapiens]" . . . . . 83.33 161 100.00 100.00 8.25e-39 . . . . 11155 1 6 no DBJ BAG59937 . "unnamed protein product [Homo sapiens]" . . . . . 83.33 238 100.00 100.00 6.52e-39 . . . . 11155 1 7 no DBJ BAG61587 . "unnamed protein product [Homo sapiens]" . . . . . 83.33 161 100.00 100.00 8.25e-39 . . . . 11155 1 8 no EMBL CAA64885 . "Arg protein tyrosine kinase-binding protein [Homo sapiens]" . . . . . 83.33 475 100.00 100.00 1.09e-37 . . . . 11155 1 9 no EMBL CAA64980 . "argBPIB [Homo sapiens]" . . . . . 83.33 299 100.00 100.00 2.26e-39 . . . . 11155 1 10 no EMBL CAH89983 . "hypothetical protein [Pongo abelii]" . . . . . 83.33 458 100.00 100.00 7.30e-38 . . . . 11155 1 11 no EMBL CAJ82503 . "abl interactor 2 [Xenopus (Silurana) tropicalis]" . . . . . 83.33 538 96.92 100.00 2.67e-37 . . . . 11155 1 12 no GB AAA75446 . "Abl binding protein 3 [Homo sapiens]" . . . . . 83.33 390 98.46 98.46 7.92e-37 . . . . 11155 1 13 no GB AAA92289 . "Abl interactor 2 [Homo sapiens]" . . . . . 83.33 401 100.00 100.00 1.51e-37 . . . . 11155 1 14 no GB AAC53493 . "thyroid hormone responsive protein [Rattus norvegicus]" . . . . . 82.05 543 100.00 100.00 3.57e-36 . . . . 11155 1 15 no GB AAF70308 . "Abl-interactor protein 2b [Homo sapiens]" . . . . . 83.33 513 100.00 100.00 8.59e-38 . . . . 11155 1 16 no GB AAH01439 . "Abl interactor 2 [Homo sapiens]" . . . . . 83.33 475 100.00 100.00 9.70e-38 . . . . 11155 1 17 no REF NP_001016044 . "abl interactor 2 [Xenopus (Silurana) tropicalis]" . . . . . 83.33 538 96.92 100.00 2.67e-37 . . . . 11155 1 18 no REF NP_001094641 . "abl interactor 2 [Bos taurus]" . . . . . 83.33 475 100.00 100.00 9.99e-38 . . . . 11155 1 19 no REF NP_001124937 . "abl interactor 2 [Pongo abelii]" . . . . . 83.33 458 100.00 100.00 7.30e-38 . . . . 11155 1 20 no REF NP_001185499 . "abl interactor 2 isoform 1 [Mus musculus]" . . . . . 55.13 487 97.67 100.00 4.55e-20 . . . . 11155 1 21 no REF NP_001185500 . "abl interactor 2 isoform 2 [Mus musculus]" . . . . . 83.33 480 98.46 100.00 3.71e-37 . . . . 11155 1 22 no SP P62484 . "RecName: Full=Abl interactor 2; AltName: Full=Abelson interactor 2; Short=Abi-2" . . . . . 83.33 446 98.46 100.00 2.41e-37 . . . . 11155 1 23 no SP Q9NYB9 . "RecName: Full=Abl interactor 2; AltName: Full=Abelson interactor 2; Short=Abi-2; AltName: Full=Abl-binding protein 3; Short=Abl" . . . . . 83.33 513 100.00 100.00 8.59e-38 . . . . 11155 1 24 no TPG DAA32557 . "TPA: abl interactor 2 [Bos taurus]" . . . . . 83.33 475 100.00 100.00 9.99e-38 . . . . 11155 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11155 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 . 11155 1 2 . SER . 11155 1 3 . SER . 11155 1 4 . GLY . 11155 1 5 . SER . 11155 1 6 . SER . 11155 1 7 . GLY . 11155 1 8 . ASP . 11155 1 9 . PRO . 11155 1 10 . PRO . 11155 1 11 . TRP . 11155 1 12 . ALA . 11155 1 13 . PRO . 11155 1 14 . ARG . 11155 1 15 . SER . 11155 1 16 . TYR . 11155 1 17 . LEU . 11155 1 18 . GLU . 11155 1 19 . LYS . 11155 1 20 . VAL . 11155 1 21 . VAL . 11155 1 22 . ALA . 11155 1 23 . ILE . 11155 1 24 . TYR . 11155 1 25 . ASP . 11155 1 26 . TYR . 11155 1 27 . THR . 11155 1 28 . LYS . 11155 1 29 . ASP . 11155 1 30 . LYS . 11155 1 31 . GLU . 11155 1 32 . ASP . 11155 1 33 . GLU . 11155 1 34 . LEU . 11155 1 35 . SER . 11155 1 36 . PHE . 11155 1 37 . GLN . 11155 1 38 . GLU . 11155 1 39 . GLY . 11155 1 40 . ALA . 11155 1 41 . ILE . 11155 1 42 . ILE . 11155 1 43 . TYR . 11155 1 44 . VAL . 11155 1 45 . ILE . 11155 1 46 . LYS . 11155 1 47 . LYS . 11155 1 48 . ASN . 11155 1 49 . ASP . 11155 1 50 . ASP . 11155 1 51 . GLY . 11155 1 52 . TRP . 11155 1 53 . TYR . 11155 1 54 . GLU . 11155 1 55 . GLY . 11155 1 56 . VAL . 11155 1 57 . MET . 11155 1 58 . ASN . 11155 1 59 . GLY . 11155 1 60 . VAL . 11155 1 61 . THR . 11155 1 62 . GLY . 11155 1 63 . LEU . 11155 1 64 . PHE . 11155 1 65 . PRO . 11155 1 66 . GLY . 11155 1 67 . ASN . 11155 1 68 . TYR . 11155 1 69 . VAL . 11155 1 70 . GLU . 11155 1 71 . SER . 11155 1 72 . ILE . 11155 1 73 . SER . 11155 1 74 . GLY . 11155 1 75 . PRO . 11155 1 76 . SER . 11155 1 77 . SER . 11155 1 78 . GLY . 11155 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 11155 1 . SER 2 2 11155 1 . SER 3 3 11155 1 . GLY 4 4 11155 1 . SER 5 5 11155 1 . SER 6 6 11155 1 . GLY 7 7 11155 1 . ASP 8 8 11155 1 . PRO 9 9 11155 1 . PRO 10 10 11155 1 . TRP 11 11 11155 1 . ALA 12 12 11155 1 . PRO 13 13 11155 1 . ARG 14 14 11155 1 . SER 15 15 11155 1 . TYR 16 16 11155 1 . LEU 17 17 11155 1 . GLU 18 18 11155 1 . LYS 19 19 11155 1 . VAL 20 20 11155 1 . VAL 21 21 11155 1 . ALA 22 22 11155 1 . ILE 23 23 11155 1 . TYR 24 24 11155 1 . ASP 25 25 11155 1 . TYR 26 26 11155 1 . THR 27 27 11155 1 . LYS 28 28 11155 1 . ASP 29 29 11155 1 . LYS 30 30 11155 1 . GLU 31 31 11155 1 . ASP 32 32 11155 1 . GLU 33 33 11155 1 . LEU 34 34 11155 1 . SER 35 35 11155 1 . PHE 36 36 11155 1 . GLN 37 37 11155 1 . GLU 38 38 11155 1 . GLY 39 39 11155 1 . ALA 40 40 11155 1 . ILE 41 41 11155 1 . ILE 42 42 11155 1 . TYR 43 43 11155 1 . VAL 44 44 11155 1 . ILE 45 45 11155 1 . LYS 46 46 11155 1 . LYS 47 47 11155 1 . ASN 48 48 11155 1 . ASP 49 49 11155 1 . ASP 50 50 11155 1 . GLY 51 51 11155 1 . TRP 52 52 11155 1 . TYR 53 53 11155 1 . GLU 54 54 11155 1 . GLY 55 55 11155 1 . VAL 56 56 11155 1 . MET 57 57 11155 1 . ASN 58 58 11155 1 . GLY 59 59 11155 1 . VAL 60 60 11155 1 . THR 61 61 11155 1 . GLY 62 62 11155 1 . LEU 63 63 11155 1 . PHE 64 64 11155 1 . PRO 65 65 11155 1 . GLY 66 66 11155 1 . ASN 67 67 11155 1 . TYR 68 68 11155 1 . VAL 69 69 11155 1 . GLU 70 70 11155 1 . SER 71 71 11155 1 . ILE 72 72 11155 1 . SER 73 73 11155 1 . GLY 74 74 11155 1 . PRO 75 75 11155 1 . SER 76 76 11155 1 . SER 77 77 11155 1 . GLY 78 78 11155 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 11155 _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 . . . . . . . . . . . . . . . . . . . . . 11155 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 11155 _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' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P050704-12 . . . . . . 11155 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11155 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.73mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O, 90% H2O ; _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 0.73 . . mM . . . . 11155 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11155 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11155 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11155 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11155 1 6 H2O . . . . . . solvent 90 . . % . . . . 11155 1 7 D2O . . . . . . solvent 10 . . % . . . . 11155 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 11155 _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 11155 1 pH 7.0 0.05 pH 11155 1 pressure 1 0.001 atm 11155 1 temperature 298 0.1 K 11155 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11155 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11155 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11155 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11155 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11155 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11155 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11155 _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.' . . 11155 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11155 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11155 _Software.ID 4 _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.' . . 11155 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11155 4 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 11155 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11155 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11155 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 11155 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11155 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11155 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 11155 _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 . . . . . . . . . 11155 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11155 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11155 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 11155 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11155 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11155 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11155 1 2 $NMRPipe . . 11155 1 3 $NMRView . . 11155 1 4 $CYANA . . 11155 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 7 7 GLY HA2 H 1 3.934 0.030 . 1 . . . . 7 GLY HA2 . 11155 1 2 . 1 1 7 7 GLY HA3 H 1 3.934 0.030 . 1 . . . . 7 GLY HA3 . 11155 1 3 . 1 1 7 7 GLY C C 13 173.706 0.300 . 1 . . . . 7 GLY C . 11155 1 4 . 1 1 7 7 GLY CA C 13 44.973 0.300 . 1 . . . . 7 GLY CA . 11155 1 5 . 1 1 8 8 ASP H H 1 8.172 0.030 . 1 . . . . 8 ASP H . 11155 1 6 . 1 1 8 8 ASP HA H 1 4.806 0.030 . 1 . . . . 8 ASP HA . 11155 1 7 . 1 1 8 8 ASP HB2 H 1 2.330 0.030 . 2 . . . . 8 ASP HB2 . 11155 1 8 . 1 1 8 8 ASP HB3 H 1 2.167 0.030 . 2 . . . . 8 ASP HB3 . 11155 1 9 . 1 1 8 8 ASP C C 13 173.557 0.300 . 1 . . . . 8 ASP C . 11155 1 10 . 1 1 8 8 ASP CA C 13 52.695 0.300 . 1 . . . . 8 ASP CA . 11155 1 11 . 1 1 8 8 ASP CB C 13 40.636 0.300 . 1 . . . . 8 ASP CB . 11155 1 12 . 1 1 8 8 ASP N N 15 121.166 0.300 . 1 . . . . 8 ASP N . 11155 1 13 . 1 1 9 9 PRO HA H 1 4.567 0.030 . 1 . . . . 9 PRO HA . 11155 1 14 . 1 1 9 9 PRO HB2 H 1 0.577 0.030 . 2 . . . . 9 PRO HB2 . 11155 1 15 . 1 1 9 9 PRO HB3 H 1 2.184 0.030 . 2 . . . . 9 PRO HB3 . 11155 1 16 . 1 1 9 9 PRO HD2 H 1 3.253 0.030 . 2 . . . . 9 PRO HD2 . 11155 1 17 . 1 1 9 9 PRO HD3 H 1 3.692 0.030 . 2 . . . . 9 PRO HD3 . 11155 1 18 . 1 1 9 9 PRO HG2 H 1 0.708 0.030 . 2 . . . . 9 PRO HG2 . 11155 1 19 . 1 1 9 9 PRO HG3 H 1 1.719 0.030 . 2 . . . . 9 PRO HG3 . 11155 1 20 . 1 1 9 9 PRO CA C 13 61.027 0.300 . 1 . . . . 9 PRO CA . 11155 1 21 . 1 1 9 9 PRO CB C 13 31.217 0.300 . 1 . . . . 9 PRO CB . 11155 1 22 . 1 1 9 9 PRO CD C 13 50.310 0.300 . 1 . . . . 9 PRO CD . 11155 1 23 . 1 1 9 9 PRO CG C 13 27.132 0.300 . 1 . . . . 9 PRO CG . 11155 1 24 . 1 1 10 10 PRO HA H 1 4.242 0.030 . 1 . . . . 10 PRO HA . 11155 1 25 . 1 1 10 10 PRO HB2 H 1 2.028 0.030 . 2 . . . . 10 PRO HB2 . 11155 1 26 . 1 1 10 10 PRO HB3 H 1 2.370 0.030 . 2 . . . . 10 PRO HB3 . 11155 1 27 . 1 1 10 10 PRO HD2 H 1 3.654 0.030 . 2 . . . . 10 PRO HD2 . 11155 1 28 . 1 1 10 10 PRO HD3 H 1 3.773 0.030 . 2 . . . . 10 PRO HD3 . 11155 1 29 . 1 1 10 10 PRO HG2 H 1 2.109 0.030 . 1 . . . . 10 PRO HG2 . 11155 1 30 . 1 1 10 10 PRO HG3 H 1 2.109 0.030 . 1 . . . . 10 PRO HG3 . 11155 1 31 . 1 1 10 10 PRO C C 13 176.121 0.300 . 1 . . . . 10 PRO C . 11155 1 32 . 1 1 10 10 PRO CA C 13 64.655 0.300 . 1 . . . . 10 PRO CA . 11155 1 33 . 1 1 10 10 PRO CB C 13 31.688 0.300 . 1 . . . . 10 PRO CB . 11155 1 34 . 1 1 10 10 PRO CD C 13 50.646 0.300 . 1 . . . . 10 PRO CD . 11155 1 35 . 1 1 10 10 PRO CG C 13 27.654 0.300 . 1 . . . . 10 PRO CG . 11155 1 36 . 1 1 11 11 TRP H H 1 6.144 0.030 . 1 . . . . 11 TRP H . 11155 1 37 . 1 1 11 11 TRP HA H 1 4.522 0.030 . 1 . . . . 11 TRP HA . 11155 1 38 . 1 1 11 11 TRP HB2 H 1 3.452 0.030 . 2 . . . . 11 TRP HB2 . 11155 1 39 . 1 1 11 11 TRP HB3 H 1 3.123 0.030 . 2 . . . . 11 TRP HB3 . 11155 1 40 . 1 1 11 11 TRP HD1 H 1 7.499 0.030 . 1 . . . . 11 TRP HD1 . 11155 1 41 . 1 1 11 11 TRP HE1 H 1 10.869 0.030 . 1 . . . . 11 TRP HE1 . 11155 1 42 . 1 1 11 11 TRP HE3 H 1 7.358 0.030 . 1 . . . . 11 TRP HE3 . 11155 1 43 . 1 1 11 11 TRP HH2 H 1 7.735 0.030 . 1 . . . . 11 TRP HH2 . 11155 1 44 . 1 1 11 11 TRP HZ2 H 1 7.941 0.030 . 1 . . . . 11 TRP HZ2 . 11155 1 45 . 1 1 11 11 TRP HZ3 H 1 7.162 0.030 . 1 . . . . 11 TRP HZ3 . 11155 1 46 . 1 1 11 11 TRP C C 13 176.254 0.300 . 1 . . . . 11 TRP C . 11155 1 47 . 1 1 11 11 TRP CA C 13 53.875 0.300 . 1 . . . . 11 TRP CA . 11155 1 48 . 1 1 11 11 TRP CB C 13 29.388 0.300 . 1 . . . . 11 TRP CB . 11155 1 49 . 1 1 11 11 TRP CD1 C 13 129.296 0.300 . 1 . . . . 11 TRP CD1 . 11155 1 50 . 1 1 11 11 TRP CE3 C 13 120.828 0.300 . 1 . . . . 11 TRP CE3 . 11155 1 51 . 1 1 11 11 TRP CH2 C 13 125.278 0.300 . 1 . . . . 11 TRP CH2 . 11155 1 52 . 1 1 11 11 TRP CZ2 C 13 116.750 0.300 . 1 . . . . 11 TRP CZ2 . 11155 1 53 . 1 1 11 11 TRP CZ3 C 13 122.306 0.300 . 1 . . . . 11 TRP CZ3 . 11155 1 54 . 1 1 11 11 TRP N N 15 109.879 0.300 . 1 . . . . 11 TRP N . 11155 1 55 . 1 1 11 11 TRP NE1 N 15 133.891 0.300 . 1 . . . . 11 TRP NE1 . 11155 1 56 . 1 1 12 12 ALA H H 1 6.959 0.030 . 1 . . . . 12 ALA H . 11155 1 57 . 1 1 12 12 ALA HA H 1 3.431 0.030 . 1 . . . . 12 ALA HA . 11155 1 58 . 1 1 12 12 ALA HB1 H 1 0.151 0.030 . 1 . . . . 12 ALA HB . 11155 1 59 . 1 1 12 12 ALA HB2 H 1 0.151 0.030 . 1 . . . . 12 ALA HB . 11155 1 60 . 1 1 12 12 ALA HB3 H 1 0.151 0.030 . 1 . . . . 12 ALA HB . 11155 1 61 . 1 1 12 12 ALA C C 13 174.425 0.300 . 1 . . . . 12 ALA C . 11155 1 62 . 1 1 12 12 ALA CA C 13 51.178 0.300 . 1 . . . . 12 ALA CA . 11155 1 63 . 1 1 12 12 ALA CB C 13 15.836 0.300 . 1 . . . . 12 ALA CB . 11155 1 64 . 1 1 12 12 ALA N N 15 126.057 0.300 . 1 . . . . 12 ALA N . 11155 1 65 . 1 1 13 13 PRO HA H 1 4.480 0.030 . 1 . . . . 13 PRO HA . 11155 1 66 . 1 1 13 13 PRO HB2 H 1 2.420 0.030 . 2 . . . . 13 PRO HB2 . 11155 1 67 . 1 1 13 13 PRO HB3 H 1 2.240 0.030 . 2 . . . . 13 PRO HB3 . 11155 1 68 . 1 1 13 13 PRO HD2 H 1 3.357 0.030 . 2 . . . . 13 PRO HD2 . 11155 1 69 . 1 1 13 13 PRO HD3 H 1 2.731 0.030 . 2 . . . . 13 PRO HD3 . 11155 1 70 . 1 1 13 13 PRO HG2 H 1 1.958 0.030 . 2 . . . . 13 PRO HG2 . 11155 1 71 . 1 1 13 13 PRO HG3 H 1 1.922 0.030 . 2 . . . . 13 PRO HG3 . 11155 1 72 . 1 1 13 13 PRO C C 13 176.220 0.300 . 1 . . . . 13 PRO C . 11155 1 73 . 1 1 13 13 PRO CA C 13 61.918 0.300 . 1 . . . . 13 PRO CA . 11155 1 74 . 1 1 13 13 PRO CB C 13 31.613 0.300 . 1 . . . . 13 PRO CB . 11155 1 75 . 1 1 13 13 PRO CD C 13 49.430 0.300 . 1 . . . . 13 PRO CD . 11155 1 76 . 1 1 13 13 PRO CG C 13 27.960 0.300 . 1 . . . . 13 PRO CG . 11155 1 77 . 1 1 14 14 ARG H H 1 8.501 0.030 . 1 . . . . 14 ARG H . 11155 1 78 . 1 1 14 14 ARG HA H 1 4.060 0.030 . 1 . . . . 14 ARG HA . 11155 1 79 . 1 1 14 14 ARG HB2 H 1 1.866 0.030 . 2 . . . . 14 ARG HB2 . 11155 1 80 . 1 1 14 14 ARG HB3 H 1 1.822 0.030 . 2 . . . . 14 ARG HB3 . 11155 1 81 . 1 1 14 14 ARG HD2 H 1 3.216 0.030 . 1 . . . . 14 ARG HD2 . 11155 1 82 . 1 1 14 14 ARG HD3 H 1 3.216 0.030 . 1 . . . . 14 ARG HD3 . 11155 1 83 . 1 1 14 14 ARG HG2 H 1 1.755 0.030 . 2 . . . . 14 ARG HG2 . 11155 1 84 . 1 1 14 14 ARG HG3 H 1 1.692 0.030 . 2 . . . . 14 ARG HG3 . 11155 1 85 . 1 1 14 14 ARG C C 13 176.820 0.300 . 1 . . . . 14 ARG C . 11155 1 86 . 1 1 14 14 ARG CA C 13 57.579 0.300 . 1 . . . . 14 ARG CA . 11155 1 87 . 1 1 14 14 ARG CB C 13 30.262 0.300 . 1 . . . . 14 ARG CB . 11155 1 88 . 1 1 14 14 ARG CD C 13 43.000 0.300 . 1 . . . . 14 ARG CD . 11155 1 89 . 1 1 14 14 ARG CG C 13 27.199 0.300 . 1 . . . . 14 ARG CG . 11155 1 90 . 1 1 14 14 ARG N N 15 119.573 0.300 . 1 . . . . 14 ARG N . 11155 1 91 . 1 1 15 15 SER H H 1 7.620 0.030 . 1 . . . . 15 SER H . 11155 1 92 . 1 1 15 15 SER HA H 1 4.720 0.030 . 1 . . . . 15 SER HA . 11155 1 93 . 1 1 15 15 SER HB2 H 1 3.714 0.030 . 2 . . . . 15 SER HB2 . 11155 1 94 . 1 1 15 15 SER HB3 H 1 3.649 0.030 . 2 . . . . 15 SER HB3 . 11155 1 95 . 1 1 15 15 SER C C 13 172.835 0.300 . 1 . . . . 15 SER C . 11155 1 96 . 1 1 15 15 SER CA C 13 56.397 0.300 . 1 . . . . 15 SER CA . 11155 1 97 . 1 1 15 15 SER CB C 13 64.437 0.300 . 1 . . . . 15 SER CB . 11155 1 98 . 1 1 15 15 SER N N 15 111.204 0.300 . 1 . . . . 15 SER N . 11155 1 99 . 1 1 16 16 TYR H H 1 7.914 0.030 . 1 . . . . 16 TYR H . 11155 1 100 . 1 1 16 16 TYR HA H 1 4.965 0.030 . 1 . . . . 16 TYR HA . 11155 1 101 . 1 1 16 16 TYR HB2 H 1 3.108 0.030 . 1 . . . . 16 TYR HB2 . 11155 1 102 . 1 1 16 16 TYR HB3 H 1 3.108 0.030 . 1 . . . . 16 TYR HB3 . 11155 1 103 . 1 1 16 16 TYR HD1 H 1 6.719 0.030 . 1 . . . . 16 TYR HD1 . 11155 1 104 . 1 1 16 16 TYR HD2 H 1 6.719 0.030 . 1 . . . . 16 TYR HD2 . 11155 1 105 . 1 1 16 16 TYR HE1 H 1 6.801 0.030 . 1 . . . . 16 TYR HE1 . 11155 1 106 . 1 1 16 16 TYR HE2 H 1 6.801 0.030 . 1 . . . . 16 TYR HE2 . 11155 1 107 . 1 1 16 16 TYR C C 13 174.082 0.300 . 1 . . . . 16 TYR C . 11155 1 108 . 1 1 16 16 TYR CA C 13 56.538 0.300 . 1 . . . . 16 TYR CA . 11155 1 109 . 1 1 16 16 TYR CB C 13 37.884 0.300 . 1 . . . . 16 TYR CB . 11155 1 110 . 1 1 16 16 TYR CD1 C 13 134.353 0.300 . 1 . . . . 16 TYR CD1 . 11155 1 111 . 1 1 16 16 TYR CD2 C 13 134.353 0.300 . 1 . . . . 16 TYR CD2 . 11155 1 112 . 1 1 16 16 TYR CE1 C 13 118.597 0.300 . 1 . . . . 16 TYR CE1 . 11155 1 113 . 1 1 16 16 TYR CE2 C 13 118.597 0.300 . 1 . . . . 16 TYR CE2 . 11155 1 114 . 1 1 16 16 TYR N N 15 118.220 0.300 . 1 . . . . 16 TYR N . 11155 1 115 . 1 1 17 17 LEU H H 1 9.122 0.030 . 1 . . . . 17 LEU H . 11155 1 116 . 1 1 17 17 LEU HA H 1 4.294 0.030 . 1 . . . . 17 LEU HA . 11155 1 117 . 1 1 17 17 LEU HB2 H 1 1.537 0.030 . 2 . . . . 17 LEU HB2 . 11155 1 118 . 1 1 17 17 LEU HB3 H 1 1.485 0.030 . 2 . . . . 17 LEU HB3 . 11155 1 119 . 1 1 17 17 LEU HD11 H 1 0.770 0.030 . 1 . . . . 17 LEU HD1 . 11155 1 120 . 1 1 17 17 LEU HD12 H 1 0.770 0.030 . 1 . . . . 17 LEU HD1 . 11155 1 121 . 1 1 17 17 LEU HD13 H 1 0.770 0.030 . 1 . . . . 17 LEU HD1 . 11155 1 122 . 1 1 17 17 LEU HD21 H 1 0.828 0.030 . 1 . . . . 17 LEU HD2 . 11155 1 123 . 1 1 17 17 LEU HD22 H 1 0.828 0.030 . 1 . . . . 17 LEU HD2 . 11155 1 124 . 1 1 17 17 LEU HD23 H 1 0.828 0.030 . 1 . . . . 17 LEU HD2 . 11155 1 125 . 1 1 17 17 LEU HG H 1 1.611 0.030 . 1 . . . . 17 LEU HG . 11155 1 126 . 1 1 17 17 LEU C C 13 177.198 0.300 . 1 . . . . 17 LEU C . 11155 1 127 . 1 1 17 17 LEU CA C 13 56.756 0.300 . 1 . . . . 17 LEU CA . 11155 1 128 . 1 1 17 17 LEU CB C 13 43.287 0.300 . 1 . . . . 17 LEU CB . 11155 1 129 . 1 1 17 17 LEU CD1 C 13 25.589 0.300 . 2 . . . . 17 LEU CD1 . 11155 1 130 . 1 1 17 17 LEU CD2 C 13 22.481 0.300 . 2 . . . . 17 LEU CD2 . 11155 1 131 . 1 1 17 17 LEU CG C 13 27.087 0.300 . 1 . . . . 17 LEU CG . 11155 1 132 . 1 1 17 17 LEU N N 15 119.599 0.300 . 1 . . . . 17 LEU N . 11155 1 133 . 1 1 18 18 GLU H H 1 7.478 0.030 . 1 . . . . 18 GLU H . 11155 1 134 . 1 1 18 18 GLU HA H 1 4.635 0.030 . 1 . . . . 18 GLU HA . 11155 1 135 . 1 1 18 18 GLU HB2 H 1 1.960 0.030 . 2 . . . . 18 GLU HB2 . 11155 1 136 . 1 1 18 18 GLU HB3 H 1 2.261 0.030 . 2 . . . . 18 GLU HB3 . 11155 1 137 . 1 1 18 18 GLU HG2 H 1 2.023 0.030 . 1 . . . . 18 GLU HG2 . 11155 1 138 . 1 1 18 18 GLU HG3 H 1 2.023 0.030 . 1 . . . . 18 GLU HG3 . 11155 1 139 . 1 1 18 18 GLU C C 13 173.547 0.300 . 1 . . . . 18 GLU C . 11155 1 140 . 1 1 18 18 GLU CA C 13 55.515 0.300 . 1 . . . . 18 GLU CA . 11155 1 141 . 1 1 18 18 GLU CB C 13 32.627 0.300 . 1 . . . . 18 GLU CB . 11155 1 142 . 1 1 18 18 GLU CG C 13 35.111 0.300 . 1 . . . . 18 GLU CG . 11155 1 143 . 1 1 18 18 GLU N N 15 111.768 0.300 . 1 . . . . 18 GLU N . 11155 1 144 . 1 1 19 19 LYS H H 1 8.697 0.030 . 1 . . . . 19 LYS H . 11155 1 145 . 1 1 19 19 LYS HA H 1 4.636 0.030 . 1 . . . . 19 LYS HA . 11155 1 146 . 1 1 19 19 LYS HB2 H 1 1.518 0.030 . 2 . . . . 19 LYS HB2 . 11155 1 147 . 1 1 19 19 LYS HB3 H 1 1.338 0.030 . 2 . . . . 19 LYS HB3 . 11155 1 148 . 1 1 19 19 LYS HD2 H 1 1.438 0.030 . 1 . . . . 19 LYS HD2 . 11155 1 149 . 1 1 19 19 LYS HD3 H 1 1.438 0.030 . 1 . . . . 19 LYS HD3 . 11155 1 150 . 1 1 19 19 LYS HE2 H 1 2.739 0.030 . 2 . . . . 19 LYS HE2 . 11155 1 151 . 1 1 19 19 LYS HE3 H 1 2.702 0.030 . 2 . . . . 19 LYS HE3 . 11155 1 152 . 1 1 19 19 LYS HG2 H 1 0.620 0.030 . 2 . . . . 19 LYS HG2 . 11155 1 153 . 1 1 19 19 LYS HG3 H 1 0.543 0.030 . 2 . . . . 19 LYS HG3 . 11155 1 154 . 1 1 19 19 LYS C C 13 175.056 0.300 . 1 . . . . 19 LYS C . 11155 1 155 . 1 1 19 19 LYS CA C 13 55.521 0.300 . 1 . . . . 19 LYS CA . 11155 1 156 . 1 1 19 19 LYS CB C 13 34.296 0.300 . 1 . . . . 19 LYS CB . 11155 1 157 . 1 1 19 19 LYS CD C 13 29.842 0.300 . 1 . . . . 19 LYS CD . 11155 1 158 . 1 1 19 19 LYS CE C 13 41.843 0.300 . 1 . . . . 19 LYS CE . 11155 1 159 . 1 1 19 19 LYS CG C 13 24.828 0.300 . 1 . . . . 19 LYS CG . 11155 1 160 . 1 1 19 19 LYS N N 15 124.796 0.300 . 1 . . . . 19 LYS N . 11155 1 161 . 1 1 20 20 VAL H H 1 8.892 0.030 . 1 . . . . 20 VAL H . 11155 1 162 . 1 1 20 20 VAL HA H 1 5.121 0.030 . 1 . . . . 20 VAL HA . 11155 1 163 . 1 1 20 20 VAL HB H 1 1.985 0.030 . 1 . . . . 20 VAL HB . 11155 1 164 . 1 1 20 20 VAL HG11 H 1 0.829 0.030 . 1 . . . . 20 VAL HG1 . 11155 1 165 . 1 1 20 20 VAL HG12 H 1 0.829 0.030 . 1 . . . . 20 VAL HG1 . 11155 1 166 . 1 1 20 20 VAL HG13 H 1 0.829 0.030 . 1 . . . . 20 VAL HG1 . 11155 1 167 . 1 1 20 20 VAL HG21 H 1 0.669 0.030 . 1 . . . . 20 VAL HG2 . 11155 1 168 . 1 1 20 20 VAL HG22 H 1 0.669 0.030 . 1 . . . . 20 VAL HG2 . 11155 1 169 . 1 1 20 20 VAL HG23 H 1 0.669 0.030 . 1 . . . . 20 VAL HG2 . 11155 1 170 . 1 1 20 20 VAL C C 13 172.362 0.300 . 1 . . . . 20 VAL C . 11155 1 171 . 1 1 20 20 VAL CA C 13 58.263 0.300 . 1 . . . . 20 VAL CA . 11155 1 172 . 1 1 20 20 VAL CB C 13 35.841 0.300 . 1 . . . . 20 VAL CB . 11155 1 173 . 1 1 20 20 VAL CG1 C 13 21.764 0.300 . 2 . . . . 20 VAL CG1 . 11155 1 174 . 1 1 20 20 VAL CG2 C 13 20.040 0.300 . 2 . . . . 20 VAL CG2 . 11155 1 175 . 1 1 20 20 VAL N N 15 117.454 0.300 . 1 . . . . 20 VAL N . 11155 1 176 . 1 1 21 21 VAL H H 1 8.901 0.030 . 1 . . . . 21 VAL H . 11155 1 177 . 1 1 21 21 VAL HA H 1 5.355 0.030 . 1 . . . . 21 VAL HA . 11155 1 178 . 1 1 21 21 VAL HB H 1 1.720 0.030 . 1 . . . . 21 VAL HB . 11155 1 179 . 1 1 21 21 VAL HG11 H 1 0.804 0.030 . 1 . . . . 21 VAL HG1 . 11155 1 180 . 1 1 21 21 VAL HG12 H 1 0.804 0.030 . 1 . . . . 21 VAL HG1 . 11155 1 181 . 1 1 21 21 VAL HG13 H 1 0.804 0.030 . 1 . . . . 21 VAL HG1 . 11155 1 182 . 1 1 21 21 VAL HG21 H 1 0.829 0.030 . 1 . . . . 21 VAL HG2 . 11155 1 183 . 1 1 21 21 VAL HG22 H 1 0.829 0.030 . 1 . . . . 21 VAL HG2 . 11155 1 184 . 1 1 21 21 VAL HG23 H 1 0.829 0.030 . 1 . . . . 21 VAL HG2 . 11155 1 185 . 1 1 21 21 VAL C C 13 174.829 0.300 . 1 . . . . 21 VAL C . 11155 1 186 . 1 1 21 21 VAL CA C 13 57.166 0.300 . 1 . . . . 21 VAL CA . 11155 1 187 . 1 1 21 21 VAL CB C 13 35.311 0.300 . 1 . . . . 21 VAL CB . 11155 1 188 . 1 1 21 21 VAL CG1 C 13 19.646 0.300 . 2 . . . . 21 VAL CG1 . 11155 1 189 . 1 1 21 21 VAL CG2 C 13 21.748 0.300 . 2 . . . . 21 VAL CG2 . 11155 1 190 . 1 1 21 21 VAL N N 15 117.604 0.300 . 1 . . . . 21 VAL N . 11155 1 191 . 1 1 22 22 ALA H H 1 8.774 0.030 . 1 . . . . 22 ALA H . 11155 1 192 . 1 1 22 22 ALA HA H 1 4.539 0.030 . 1 . . . . 22 ALA HA . 11155 1 193 . 1 1 22 22 ALA HB1 H 1 1.393 0.030 . 1 . . . . 22 ALA HB . 11155 1 194 . 1 1 22 22 ALA HB2 H 1 1.393 0.030 . 1 . . . . 22 ALA HB . 11155 1 195 . 1 1 22 22 ALA HB3 H 1 1.393 0.030 . 1 . . . . 22 ALA HB . 11155 1 196 . 1 1 22 22 ALA C C 13 179.660 0.300 . 1 . . . . 22 ALA C . 11155 1 197 . 1 1 22 22 ALA CA C 13 52.483 0.300 . 1 . . . . 22 ALA CA . 11155 1 198 . 1 1 22 22 ALA CB C 13 20.874 0.300 . 1 . . . . 22 ALA CB . 11155 1 199 . 1 1 22 22 ALA N N 15 127.768 0.300 . 1 . . . . 22 ALA N . 11155 1 200 . 1 1 23 23 ILE H H 1 9.111 0.030 . 1 . . . . 23 ILE H . 11155 1 201 . 1 1 23 23 ILE HA H 1 4.228 0.030 . 1 . . . . 23 ILE HA . 11155 1 202 . 1 1 23 23 ILE HB H 1 1.498 0.030 . 1 . . . . 23 ILE HB . 11155 1 203 . 1 1 23 23 ILE HD11 H 1 0.572 0.030 . 1 . . . . 23 ILE HD1 . 11155 1 204 . 1 1 23 23 ILE HD12 H 1 0.572 0.030 . 1 . . . . 23 ILE HD1 . 11155 1 205 . 1 1 23 23 ILE HD13 H 1 0.572 0.030 . 1 . . . . 23 ILE HD1 . 11155 1 206 . 1 1 23 23 ILE HG12 H 1 0.509 0.030 . 2 . . . . 23 ILE HG12 . 11155 1 207 . 1 1 23 23 ILE HG13 H 1 0.721 0.030 . 2 . . . . 23 ILE HG13 . 11155 1 208 . 1 1 23 23 ILE HG21 H 1 0.585 0.030 . 1 . . . . 23 ILE HG2 . 11155 1 209 . 1 1 23 23 ILE HG22 H 1 0.585 0.030 . 1 . . . . 23 ILE HG2 . 11155 1 210 . 1 1 23 23 ILE HG23 H 1 0.585 0.030 . 1 . . . . 23 ILE HG2 . 11155 1 211 . 1 1 23 23 ILE C C 13 173.875 0.300 . 1 . . . . 23 ILE C . 11155 1 212 . 1 1 23 23 ILE CA C 13 61.542 0.300 . 1 . . . . 23 ILE CA . 11155 1 213 . 1 1 23 23 ILE CB C 13 38.604 0.300 . 1 . . . . 23 ILE CB . 11155 1 214 . 1 1 23 23 ILE CD1 C 13 13.715 0.300 . 1 . . . . 23 ILE CD1 . 11155 1 215 . 1 1 23 23 ILE CG1 C 13 26.490 0.300 . 1 . . . . 23 ILE CG1 . 11155 1 216 . 1 1 23 23 ILE CG2 C 13 18.420 0.300 . 1 . . . . 23 ILE CG2 . 11155 1 217 . 1 1 23 23 ILE N N 15 121.959 0.300 . 1 . . . . 23 ILE N . 11155 1 218 . 1 1 24 24 TYR H H 1 7.437 0.030 . 1 . . . . 24 TYR H . 11155 1 219 . 1 1 24 24 TYR HA H 1 4.926 0.030 . 1 . . . . 24 TYR HA . 11155 1 220 . 1 1 24 24 TYR HB2 H 1 2.578 0.030 . 2 . . . . 24 TYR HB2 . 11155 1 221 . 1 1 24 24 TYR HB3 H 1 3.278 0.030 . 2 . . . . 24 TYR HB3 . 11155 1 222 . 1 1 24 24 TYR HD1 H 1 6.794 0.030 . 1 . . . . 24 TYR HD1 . 11155 1 223 . 1 1 24 24 TYR HD2 H 1 6.794 0.030 . 1 . . . . 24 TYR HD2 . 11155 1 224 . 1 1 24 24 TYR HE1 H 1 6.666 0.030 . 1 . . . . 24 TYR HE1 . 11155 1 225 . 1 1 24 24 TYR HE2 H 1 6.666 0.030 . 1 . . . . 24 TYR HE2 . 11155 1 226 . 1 1 24 24 TYR C C 13 173.860 0.300 . 1 . . . . 24 TYR C . 11155 1 227 . 1 1 24 24 TYR CA C 13 54.986 0.300 . 1 . . . . 24 TYR CA . 11155 1 228 . 1 1 24 24 TYR CB C 13 42.986 0.300 . 1 . . . . 24 TYR CB . 11155 1 229 . 1 1 24 24 TYR CD1 C 13 133.555 0.300 . 1 . . . . 24 TYR CD1 . 11155 1 230 . 1 1 24 24 TYR CD2 C 13 133.555 0.300 . 1 . . . . 24 TYR CD2 . 11155 1 231 . 1 1 24 24 TYR CE1 C 13 117.751 0.300 . 1 . . . . 24 TYR CE1 . 11155 1 232 . 1 1 24 24 TYR CE2 C 13 117.751 0.300 . 1 . . . . 24 TYR CE2 . 11155 1 233 . 1 1 24 24 TYR N N 15 117.242 0.300 . 1 . . . . 24 TYR N . 11155 1 234 . 1 1 25 25 ASP H H 1 8.391 0.030 . 1 . . . . 25 ASP H . 11155 1 235 . 1 1 25 25 ASP HA H 1 4.717 0.030 . 1 . . . . 25 ASP HA . 11155 1 236 . 1 1 25 25 ASP HB2 H 1 2.613 0.030 . 2 . . . . 25 ASP HB2 . 11155 1 237 . 1 1 25 25 ASP HB3 H 1 2.785 0.030 . 2 . . . . 25 ASP HB3 . 11155 1 238 . 1 1 25 25 ASP C C 13 175.752 0.300 . 1 . . . . 25 ASP C . 11155 1 239 . 1 1 25 25 ASP CA C 13 54.563 0.300 . 1 . . . . 25 ASP CA . 11155 1 240 . 1 1 25 25 ASP CB C 13 41.594 0.300 . 1 . . . . 25 ASP CB . 11155 1 241 . 1 1 25 25 ASP N N 15 118.014 0.300 . 1 . . . . 25 ASP N . 11155 1 242 . 1 1 26 26 TYR H H 1 8.451 0.030 . 1 . . . . 26 TYR H . 11155 1 243 . 1 1 26 26 TYR HA H 1 4.430 0.030 . 1 . . . . 26 TYR HA . 11155 1 244 . 1 1 26 26 TYR HB2 H 1 2.222 0.030 . 2 . . . . 26 TYR HB2 . 11155 1 245 . 1 1 26 26 TYR HB3 H 1 1.025 0.030 . 2 . . . . 26 TYR HB3 . 11155 1 246 . 1 1 26 26 TYR HD1 H 1 6.746 0.030 . 1 . . . . 26 TYR HD1 . 11155 1 247 . 1 1 26 26 TYR HD2 H 1 6.746 0.030 . 1 . . . . 26 TYR HD2 . 11155 1 248 . 1 1 26 26 TYR HE1 H 1 6.773 0.030 . 1 . . . . 26 TYR HE1 . 11155 1 249 . 1 1 26 26 TYR HE2 H 1 6.773 0.030 . 1 . . . . 26 TYR HE2 . 11155 1 250 . 1 1 26 26 TYR C C 13 174.220 0.300 . 1 . . . . 26 TYR C . 11155 1 251 . 1 1 26 26 TYR CA C 13 58.889 0.300 . 1 . . . . 26 TYR CA . 11155 1 252 . 1 1 26 26 TYR CB C 13 42.247 0.300 . 1 . . . . 26 TYR CB . 11155 1 253 . 1 1 26 26 TYR CD1 C 13 133.141 0.300 . 1 . . . . 26 TYR CD1 . 11155 1 254 . 1 1 26 26 TYR CD2 C 13 133.141 0.300 . 1 . . . . 26 TYR CD2 . 11155 1 255 . 1 1 26 26 TYR CE1 C 13 117.502 0.300 . 1 . . . . 26 TYR CE1 . 11155 1 256 . 1 1 26 26 TYR CE2 C 13 117.502 0.300 . 1 . . . . 26 TYR CE2 . 11155 1 257 . 1 1 26 26 TYR N N 15 121.244 0.300 . 1 . . . . 26 TYR N . 11155 1 258 . 1 1 27 27 THR H H 1 7.225 0.030 . 1 . . . . 27 THR H . 11155 1 259 . 1 1 27 27 THR HA H 1 4.172 0.030 . 1 . . . . 27 THR HA . 11155 1 260 . 1 1 27 27 THR HB H 1 3.592 0.030 . 1 . . . . 27 THR HB . 11155 1 261 . 1 1 27 27 THR HG21 H 1 1.068 0.030 . 1 . . . . 27 THR HG2 . 11155 1 262 . 1 1 27 27 THR HG22 H 1 1.068 0.030 . 1 . . . . 27 THR HG2 . 11155 1 263 . 1 1 27 27 THR HG23 H 1 1.068 0.030 . 1 . . . . 27 THR HG2 . 11155 1 264 . 1 1 27 27 THR C C 13 171.894 0.300 . 1 . . . . 27 THR C . 11155 1 265 . 1 1 27 27 THR CA C 13 60.627 0.300 . 1 . . . . 27 THR CA . 11155 1 266 . 1 1 27 27 THR CB C 13 69.903 0.300 . 1 . . . . 27 THR CB . 11155 1 267 . 1 1 27 27 THR CG2 C 13 21.336 0.300 . 1 . . . . 27 THR CG2 . 11155 1 268 . 1 1 27 27 THR N N 15 124.446 0.300 . 1 . . . . 27 THR N . 11155 1 269 . 1 1 28 28 LYS H H 1 8.127 0.030 . 1 . . . . 28 LYS H . 11155 1 270 . 1 1 28 28 LYS HA H 1 4.088 0.030 . 1 . . . . 28 LYS HA . 11155 1 271 . 1 1 28 28 LYS HB2 H 1 2.077 0.030 . 2 . . . . 28 LYS HB2 . 11155 1 272 . 1 1 28 28 LYS HB3 H 1 1.558 0.030 . 2 . . . . 28 LYS HB3 . 11155 1 273 . 1 1 28 28 LYS HD2 H 1 1.684 0.030 . 2 . . . . 28 LYS HD2 . 11155 1 274 . 1 1 28 28 LYS HD3 H 1 1.595 0.030 . 2 . . . . 28 LYS HD3 . 11155 1 275 . 1 1 28 28 LYS HE2 H 1 3.095 0.030 . 2 . . . . 28 LYS HE2 . 11155 1 276 . 1 1 28 28 LYS HE3 H 1 2.923 0.030 . 2 . . . . 28 LYS HE3 . 11155 1 277 . 1 1 28 28 LYS HG2 H 1 1.256 0.030 . 2 . . . . 28 LYS HG2 . 11155 1 278 . 1 1 28 28 LYS HG3 H 1 1.076 0.030 . 2 . . . . 28 LYS HG3 . 11155 1 279 . 1 1 28 28 LYS C C 13 175.073 0.300 . 1 . . . . 28 LYS C . 11155 1 280 . 1 1 28 28 LYS CA C 13 56.573 0.300 . 1 . . . . 28 LYS CA . 11155 1 281 . 1 1 28 28 LYS CB C 13 33.126 0.300 . 1 . . . . 28 LYS CB . 11155 1 282 . 1 1 28 28 LYS CD C 13 29.812 0.300 . 1 . . . . 28 LYS CD . 11155 1 283 . 1 1 28 28 LYS CE C 13 42.349 0.300 . 1 . . . . 28 LYS CE . 11155 1 284 . 1 1 28 28 LYS CG C 13 23.102 0.300 . 1 . . . . 28 LYS CG . 11155 1 285 . 1 1 28 28 LYS N N 15 124.648 0.300 . 1 . . . . 28 LYS N . 11155 1 286 . 1 1 29 29 ASP H H 1 8.888 0.030 . 1 . . . . 29 ASP H . 11155 1 287 . 1 1 29 29 ASP HA H 1 4.784 0.030 . 1 . . . . 29 ASP HA . 11155 1 288 . 1 1 29 29 ASP HB2 H 1 2.760 0.030 . 2 . . . . 29 ASP HB2 . 11155 1 289 . 1 1 29 29 ASP HB3 H 1 3.020 0.030 . 2 . . . . 29 ASP HB3 . 11155 1 290 . 1 1 29 29 ASP C C 13 175.713 0.300 . 1 . . . . 29 ASP C . 11155 1 291 . 1 1 29 29 ASP CA C 13 54.070 0.300 . 1 . . . . 29 ASP CA . 11155 1 292 . 1 1 29 29 ASP CB C 13 42.928 0.300 . 1 . . . . 29 ASP CB . 11155 1 293 . 1 1 29 29 ASP N N 15 122.864 0.300 . 1 . . . . 29 ASP N . 11155 1 294 . 1 1 30 30 LYS H H 1 7.088 0.030 . 1 . . . . 30 LYS H . 11155 1 295 . 1 1 30 30 LYS HA H 1 4.399 0.030 . 1 . . . . 30 LYS HA . 11155 1 296 . 1 1 30 30 LYS HB2 H 1 1.794 0.030 . 2 . . . . 30 LYS HB2 . 11155 1 297 . 1 1 30 30 LYS HB3 H 1 2.026 0.030 . 2 . . . . 30 LYS HB3 . 11155 1 298 . 1 1 30 30 LYS HD2 H 1 1.638 0.030 . 1 . . . . 30 LYS HD2 . 11155 1 299 . 1 1 30 30 LYS HD3 H 1 1.638 0.030 . 1 . . . . 30 LYS HD3 . 11155 1 300 . 1 1 30 30 LYS HE2 H 1 2.887 0.030 . 2 . . . . 30 LYS HE2 . 11155 1 301 . 1 1 30 30 LYS HE3 H 1 2.969 0.030 . 2 . . . . 30 LYS HE3 . 11155 1 302 . 1 1 30 30 LYS HG2 H 1 1.385 0.030 . 1 . . . . 30 LYS HG2 . 11155 1 303 . 1 1 30 30 LYS HG3 H 1 1.385 0.030 . 1 . . . . 30 LYS HG3 . 11155 1 304 . 1 1 30 30 LYS C C 13 177.608 0.300 . 1 . . . . 30 LYS C . 11155 1 305 . 1 1 30 30 LYS CA C 13 55.152 0.300 . 1 . . . . 30 LYS CA . 11155 1 306 . 1 1 30 30 LYS CB C 13 34.381 0.300 . 1 . . . . 30 LYS CB . 11155 1 307 . 1 1 30 30 LYS CD C 13 28.670 0.300 . 1 . . . . 30 LYS CD . 11155 1 308 . 1 1 30 30 LYS CE C 13 42.107 0.300 . 1 . . . . 30 LYS CE . 11155 1 309 . 1 1 30 30 LYS CG C 13 24.550 0.300 . 1 . . . . 30 LYS CG . 11155 1 310 . 1 1 30 30 LYS N N 15 114.591 0.300 . 1 . . . . 30 LYS N . 11155 1 311 . 1 1 31 31 GLU H H 1 8.537 0.030 . 1 . . . . 31 GLU H . 11155 1 312 . 1 1 31 31 GLU HA H 1 3.989 0.030 . 1 . . . . 31 GLU HA . 11155 1 313 . 1 1 31 31 GLU HB2 H 1 2.095 0.030 . 2 . . . . 31 GLU HB2 . 11155 1 314 . 1 1 31 31 GLU HB3 H 1 2.035 0.030 . 2 . . . . 31 GLU HB3 . 11155 1 315 . 1 1 31 31 GLU HG2 H 1 2.350 0.030 . 1 . . . . 31 GLU HG2 . 11155 1 316 . 1 1 31 31 GLU HG3 H 1 2.350 0.030 . 1 . . . . 31 GLU HG3 . 11155 1 317 . 1 1 31 31 GLU C C 13 176.635 0.300 . 1 . . . . 31 GLU C . 11155 1 318 . 1 1 31 31 GLU CA C 13 59.189 0.300 . 1 . . . . 31 GLU CA . 11155 1 319 . 1 1 31 31 GLU CB C 13 29.856 0.300 . 1 . . . . 31 GLU CB . 11155 1 320 . 1 1 31 31 GLU CG C 13 36.081 0.300 . 1 . . . . 31 GLU CG . 11155 1 321 . 1 1 31 31 GLU N N 15 117.074 0.300 . 1 . . . . 31 GLU N . 11155 1 322 . 1 1 32 32 ASP H H 1 8.117 0.030 . 1 . . . . 32 ASP H . 11155 1 323 . 1 1 32 32 ASP HA H 1 4.699 0.030 . 1 . . . . 32 ASP HA . 11155 1 324 . 1 1 32 32 ASP HB2 H 1 2.641 0.030 . 2 . . . . 32 ASP HB2 . 11155 1 325 . 1 1 32 32 ASP HB3 H 1 3.013 0.030 . 2 . . . . 32 ASP HB3 . 11155 1 326 . 1 1 32 32 ASP C C 13 176.285 0.300 . 1 . . . . 32 ASP C . 11155 1 327 . 1 1 32 32 ASP CA C 13 53.400 0.300 . 1 . . . . 32 ASP CA . 11155 1 328 . 1 1 32 32 ASP CB C 13 39.497 0.300 . 1 . . . . 32 ASP CB . 11155 1 329 . 1 1 32 32 ASP N N 15 115.449 0.300 . 1 . . . . 32 ASP N . 11155 1 330 . 1 1 33 33 GLU H H 1 7.451 0.030 . 1 . . . . 33 GLU H . 11155 1 331 . 1 1 33 33 GLU HA H 1 5.317 0.030 . 1 . . . . 33 GLU HA . 11155 1 332 . 1 1 33 33 GLU HB2 H 1 2.731 0.030 . 2 . . . . 33 GLU HB2 . 11155 1 333 . 1 1 33 33 GLU HB3 H 1 2.421 0.030 . 2 . . . . 33 GLU HB3 . 11155 1 334 . 1 1 33 33 GLU HG2 H 1 2.391 0.030 . 2 . . . . 33 GLU HG2 . 11155 1 335 . 1 1 33 33 GLU HG3 H 1 2.355 0.030 . 2 . . . . 33 GLU HG3 . 11155 1 336 . 1 1 33 33 GLU C C 13 176.278 0.300 . 1 . . . . 33 GLU C . 11155 1 337 . 1 1 33 33 GLU CA C 13 55.321 0.300 . 1 . . . . 33 GLU CA . 11155 1 338 . 1 1 33 33 GLU CB C 13 32.990 0.300 . 1 . . . . 33 GLU CB . 11155 1 339 . 1 1 33 33 GLU CG C 13 37.153 0.300 . 1 . . . . 33 GLU CG . 11155 1 340 . 1 1 33 33 GLU N N 15 119.247 0.300 . 1 . . . . 33 GLU N . 11155 1 341 . 1 1 34 34 LEU H H 1 8.612 0.030 . 1 . . . . 34 LEU H . 11155 1 342 . 1 1 34 34 LEU HA H 1 4.577 0.030 . 1 . . . . 34 LEU HA . 11155 1 343 . 1 1 34 34 LEU HB2 H 1 1.461 0.030 . 2 . . . . 34 LEU HB2 . 11155 1 344 . 1 1 34 34 LEU HB3 H 1 1.745 0.030 . 2 . . . . 34 LEU HB3 . 11155 1 345 . 1 1 34 34 LEU HD11 H 1 0.862 0.030 . 1 . . . . 34 LEU HD1 . 11155 1 346 . 1 1 34 34 LEU HD12 H 1 0.862 0.030 . 1 . . . . 34 LEU HD1 . 11155 1 347 . 1 1 34 34 LEU HD13 H 1 0.862 0.030 . 1 . . . . 34 LEU HD1 . 11155 1 348 . 1 1 34 34 LEU HD21 H 1 0.891 0.030 . 1 . . . . 34 LEU HD2 . 11155 1 349 . 1 1 34 34 LEU HD22 H 1 0.891 0.030 . 1 . . . . 34 LEU HD2 . 11155 1 350 . 1 1 34 34 LEU HD23 H 1 0.891 0.030 . 1 . . . . 34 LEU HD2 . 11155 1 351 . 1 1 34 34 LEU HG H 1 1.631 0.030 . 1 . . . . 34 LEU HG . 11155 1 352 . 1 1 34 34 LEU C C 13 174.970 0.300 . 1 . . . . 34 LEU C . 11155 1 353 . 1 1 34 34 LEU CA C 13 53.877 0.300 . 1 . . . . 34 LEU CA . 11155 1 354 . 1 1 34 34 LEU CB C 13 46.146 0.300 . 1 . . . . 34 LEU CB . 11155 1 355 . 1 1 34 34 LEU CD1 C 13 24.126 0.300 . 2 . . . . 34 LEU CD1 . 11155 1 356 . 1 1 34 34 LEU CD2 C 13 25.246 0.300 . 2 . . . . 34 LEU CD2 . 11155 1 357 . 1 1 34 34 LEU CG C 13 27.200 0.300 . 1 . . . . 34 LEU CG . 11155 1 358 . 1 1 34 34 LEU N N 15 121.478 0.300 . 1 . . . . 34 LEU N . 11155 1 359 . 1 1 35 35 SER H H 1 7.461 0.030 . 1 . . . . 35 SER H . 11155 1 360 . 1 1 35 35 SER HA H 1 4.894 0.030 . 1 . . . . 35 SER HA . 11155 1 361 . 1 1 35 35 SER HB2 H 1 3.678 0.030 . 2 . . . . 35 SER HB2 . 11155 1 362 . 1 1 35 35 SER HB3 H 1 3.947 0.030 . 2 . . . . 35 SER HB3 . 11155 1 363 . 1 1 35 35 SER C C 13 174.198 0.300 . 1 . . . . 35 SER C . 11155 1 364 . 1 1 35 35 SER CA C 13 57.102 0.300 . 1 . . . . 35 SER CA . 11155 1 365 . 1 1 35 35 SER CB C 13 65.570 0.300 . 1 . . . . 35 SER CB . 11155 1 366 . 1 1 35 35 SER N N 15 112.343 0.300 . 1 . . . . 35 SER N . 11155 1 367 . 1 1 36 36 PHE H H 1 8.746 0.030 . 1 . . . . 36 PHE H . 11155 1 368 . 1 1 36 36 PHE HA H 1 4.799 0.030 . 1 . . . . 36 PHE HA . 11155 1 369 . 1 1 36 36 PHE HB2 H 1 2.885 0.030 . 2 . . . . 36 PHE HB2 . 11155 1 370 . 1 1 36 36 PHE HB3 H 1 3.202 0.030 . 2 . . . . 36 PHE HB3 . 11155 1 371 . 1 1 36 36 PHE HD1 H 1 6.624 0.030 . 1 . . . . 36 PHE HD1 . 11155 1 372 . 1 1 36 36 PHE HD2 H 1 6.624 0.030 . 1 . . . . 36 PHE HD2 . 11155 1 373 . 1 1 36 36 PHE HE1 H 1 7.026 0.030 . 1 . . . . 36 PHE HE1 . 11155 1 374 . 1 1 36 36 PHE HE2 H 1 7.026 0.030 . 1 . . . . 36 PHE HE2 . 11155 1 375 . 1 1 36 36 PHE HZ H 1 6.564 0.030 . 1 . . . . 36 PHE HZ . 11155 1 376 . 1 1 36 36 PHE C C 13 174.326 0.300 . 1 . . . . 36 PHE C . 11155 1 377 . 1 1 36 36 PHE CA C 13 56.079 0.300 . 1 . . . . 36 PHE CA . 11155 1 378 . 1 1 36 36 PHE CB C 13 40.338 0.300 . 1 . . . . 36 PHE CB . 11155 1 379 . 1 1 36 36 PHE CD1 C 13 132.675 0.300 . 1 . . . . 36 PHE CD1 . 11155 1 380 . 1 1 36 36 PHE CD2 C 13 132.675 0.300 . 1 . . . . 36 PHE CD2 . 11155 1 381 . 1 1 36 36 PHE CE1 C 13 131.172 0.300 . 1 . . . . 36 PHE CE1 . 11155 1 382 . 1 1 36 36 PHE CE2 C 13 131.172 0.300 . 1 . . . . 36 PHE CE2 . 11155 1 383 . 1 1 36 36 PHE CZ C 13 128.179 0.300 . 1 . . . . 36 PHE CZ . 11155 1 384 . 1 1 36 36 PHE N N 15 116.282 0.300 . 1 . . . . 36 PHE N . 11155 1 385 . 1 1 37 37 GLN H H 1 8.360 0.030 . 1 . . . . 37 GLN H . 11155 1 386 . 1 1 37 37 GLN HA H 1 5.009 0.030 . 1 . . . . 37 GLN HA . 11155 1 387 . 1 1 37 37 GLN HB2 H 1 1.949 0.030 . 2 . . . . 37 GLN HB2 . 11155 1 388 . 1 1 37 37 GLN HB3 H 1 2.180 0.030 . 2 . . . . 37 GLN HB3 . 11155 1 389 . 1 1 37 37 GLN HE21 H 1 6.817 0.030 . 2 . . . . 37 GLN HE21 . 11155 1 390 . 1 1 37 37 GLN HE22 H 1 7.650 0.030 . 2 . . . . 37 GLN HE22 . 11155 1 391 . 1 1 37 37 GLN HG2 H 1 2.294 0.030 . 2 . . . . 37 GLN HG2 . 11155 1 392 . 1 1 37 37 GLN HG3 H 1 2.379 0.030 . 2 . . . . 37 GLN HG3 . 11155 1 393 . 1 1 37 37 GLN C C 13 174.988 0.300 . 1 . . . . 37 GLN C . 11155 1 394 . 1 1 37 37 GLN CA C 13 53.634 0.300 . 1 . . . . 37 GLN CA . 11155 1 395 . 1 1 37 37 GLN CB C 13 32.410 0.300 . 1 . . . . 37 GLN CB . 11155 1 396 . 1 1 37 37 GLN CG C 13 35.000 0.300 . 1 . . . . 37 GLN CG . 11155 1 397 . 1 1 37 37 GLN N N 15 118.662 0.300 . 1 . . . . 37 GLN N . 11155 1 398 . 1 1 37 37 GLN NE2 N 15 112.587 0.300 . 1 . . . . 37 GLN NE2 . 11155 1 399 . 1 1 38 38 GLU H H 1 8.955 0.030 . 1 . . . . 38 GLU H . 11155 1 400 . 1 1 38 38 GLU HA H 1 3.345 0.030 . 1 . . . . 38 GLU HA . 11155 1 401 . 1 1 38 38 GLU HB2 H 1 1.870 0.030 . 2 . . . . 38 GLU HB2 . 11155 1 402 . 1 1 38 38 GLU HB3 H 1 1.789 0.030 . 2 . . . . 38 GLU HB3 . 11155 1 403 . 1 1 38 38 GLU HG2 H 1 2.166 0.030 . 2 . . . . 38 GLU HG2 . 11155 1 404 . 1 1 38 38 GLU HG3 H 1 1.983 0.030 . 2 . . . . 38 GLU HG3 . 11155 1 405 . 1 1 38 38 GLU C C 13 176.540 0.300 . 1 . . . . 38 GLU C . 11155 1 406 . 1 1 38 38 GLU CA C 13 58.344 0.300 . 1 . . . . 38 GLU CA . 11155 1 407 . 1 1 38 38 GLU CB C 13 29.907 0.300 . 1 . . . . 38 GLU CB . 11155 1 408 . 1 1 38 38 GLU CG C 13 35.262 0.300 . 1 . . . . 38 GLU CG . 11155 1 409 . 1 1 38 38 GLU N N 15 120.530 0.300 . 1 . . . . 38 GLU N . 11155 1 410 . 1 1 39 39 GLY H H 1 8.935 0.030 . 1 . . . . 39 GLY H . 11155 1 411 . 1 1 39 39 GLY HA2 H 1 3.432 0.030 . 2 . . . . 39 GLY HA2 . 11155 1 412 . 1 1 39 39 GLY HA3 H 1 4.418 0.030 . 2 . . . . 39 GLY HA3 . 11155 1 413 . 1 1 39 39 GLY C C 13 174.343 0.300 . 1 . . . . 39 GLY C . 11155 1 414 . 1 1 39 39 GLY CA C 13 44.621 0.300 . 1 . . . . 39 GLY CA . 11155 1 415 . 1 1 39 39 GLY N N 15 114.476 0.300 . 1 . . . . 39 GLY N . 11155 1 416 . 1 1 40 40 ALA H H 1 8.087 0.030 . 1 . . . . 40 ALA H . 11155 1 417 . 1 1 40 40 ALA HA H 1 4.202 0.030 . 1 . . . . 40 ALA HA . 11155 1 418 . 1 1 40 40 ALA HB1 H 1 1.465 0.030 . 1 . . . . 40 ALA HB . 11155 1 419 . 1 1 40 40 ALA HB2 H 1 1.465 0.030 . 1 . . . . 40 ALA HB . 11155 1 420 . 1 1 40 40 ALA HB3 H 1 1.465 0.030 . 1 . . . . 40 ALA HB . 11155 1 421 . 1 1 40 40 ALA C C 13 175.765 0.300 . 1 . . . . 40 ALA C . 11155 1 422 . 1 1 40 40 ALA CA C 13 53.207 0.300 . 1 . . . . 40 ALA CA . 11155 1 423 . 1 1 40 40 ALA CB C 13 20.050 0.300 . 1 . . . . 40 ALA CB . 11155 1 424 . 1 1 40 40 ALA N N 15 124.387 0.300 . 1 . . . . 40 ALA N . 11155 1 425 . 1 1 41 41 ILE H H 1 7.757 0.030 . 1 . . . . 41 ILE H . 11155 1 426 . 1 1 41 41 ILE HA H 1 4.835 0.030 . 1 . . . . 41 ILE HA . 11155 1 427 . 1 1 41 41 ILE HB H 1 1.927 0.030 . 1 . . . . 41 ILE HB . 11155 1 428 . 1 1 41 41 ILE HD11 H 1 0.772 0.030 . 1 . . . . 41 ILE HD1 . 11155 1 429 . 1 1 41 41 ILE HD12 H 1 0.772 0.030 . 1 . . . . 41 ILE HD1 . 11155 1 430 . 1 1 41 41 ILE HD13 H 1 0.772 0.030 . 1 . . . . 41 ILE HD1 . 11155 1 431 . 1 1 41 41 ILE HG12 H 1 1.591 0.030 . 2 . . . . 41 ILE HG12 . 11155 1 432 . 1 1 41 41 ILE HG13 H 1 1.347 0.030 . 2 . . . . 41 ILE HG13 . 11155 1 433 . 1 1 41 41 ILE HG21 H 1 0.650 0.030 . 1 . . . . 41 ILE HG2 . 11155 1 434 . 1 1 41 41 ILE HG22 H 1 0.650 0.030 . 1 . . . . 41 ILE HG2 . 11155 1 435 . 1 1 41 41 ILE HG23 H 1 0.650 0.030 . 1 . . . . 41 ILE HG2 . 11155 1 436 . 1 1 41 41 ILE C C 13 175.744 0.300 . 1 . . . . 41 ILE C . 11155 1 437 . 1 1 41 41 ILE CA C 13 59.147 0.300 . 1 . . . . 41 ILE CA . 11155 1 438 . 1 1 41 41 ILE CB C 13 37.767 0.300 . 1 . . . . 41 ILE CB . 11155 1 439 . 1 1 41 41 ILE CD1 C 13 11.366 0.300 . 1 . . . . 41 ILE CD1 . 11155 1 440 . 1 1 41 41 ILE CG1 C 13 27.347 0.300 . 1 . . . . 41 ILE CG1 . 11155 1 441 . 1 1 41 41 ILE CG2 C 13 17.268 0.300 . 1 . . . . 41 ILE CG2 . 11155 1 442 . 1 1 41 41 ILE N N 15 120.672 0.300 . 1 . . . . 41 ILE N . 11155 1 443 . 1 1 42 42 ILE H H 1 8.487 0.030 . 1 . . . . 42 ILE H . 11155 1 444 . 1 1 42 42 ILE HA H 1 4.547 0.030 . 1 . . . . 42 ILE HA . 11155 1 445 . 1 1 42 42 ILE HB H 1 1.023 0.030 . 1 . . . . 42 ILE HB . 11155 1 446 . 1 1 42 42 ILE HD11 H 1 -0.778 0.030 . 1 . . . . 42 ILE HD1 . 11155 1 447 . 1 1 42 42 ILE HD12 H 1 -0.778 0.030 . 1 . . . . 42 ILE HD1 . 11155 1 448 . 1 1 42 42 ILE HD13 H 1 -0.778 0.030 . 1 . . . . 42 ILE HD1 . 11155 1 449 . 1 1 42 42 ILE HG12 H 1 0.207 0.030 . 2 . . . . 42 ILE HG12 . 11155 1 450 . 1 1 42 42 ILE HG13 H 1 0.937 0.030 . 2 . . . . 42 ILE HG13 . 11155 1 451 . 1 1 42 42 ILE HG21 H 1 0.557 0.030 . 1 . . . . 42 ILE HG2 . 11155 1 452 . 1 1 42 42 ILE HG22 H 1 0.557 0.030 . 1 . . . . 42 ILE HG2 . 11155 1 453 . 1 1 42 42 ILE HG23 H 1 0.557 0.030 . 1 . . . . 42 ILE HG2 . 11155 1 454 . 1 1 42 42 ILE C C 13 174.548 0.300 . 1 . . . . 42 ILE C . 11155 1 455 . 1 1 42 42 ILE CA C 13 59.741 0.300 . 1 . . . . 42 ILE CA . 11155 1 456 . 1 1 42 42 ILE CB C 13 42.035 0.300 . 1 . . . . 42 ILE CB . 11155 1 457 . 1 1 42 42 ILE CD1 C 13 13.621 0.300 . 1 . . . . 42 ILE CD1 . 11155 1 458 . 1 1 42 42 ILE CG1 C 13 27.823 0.300 . 1 . . . . 42 ILE CG1 . 11155 1 459 . 1 1 42 42 ILE CG2 C 13 18.546 0.300 . 1 . . . . 42 ILE CG2 . 11155 1 460 . 1 1 42 42 ILE N N 15 126.256 0.300 . 1 . . . . 42 ILE N . 11155 1 461 . 1 1 43 43 TYR H H 1 8.790 0.030 . 1 . . . . 43 TYR H . 11155 1 462 . 1 1 43 43 TYR HA H 1 4.507 0.030 . 1 . . . . 43 TYR HA . 11155 1 463 . 1 1 43 43 TYR HB2 H 1 2.161 0.030 . 2 . . . . 43 TYR HB2 . 11155 1 464 . 1 1 43 43 TYR HB3 H 1 2.902 0.030 . 2 . . . . 43 TYR HB3 . 11155 1 465 . 1 1 43 43 TYR HD1 H 1 6.199 0.030 . 1 . . . . 43 TYR HD1 . 11155 1 466 . 1 1 43 43 TYR HD2 H 1 6.199 0.030 . 1 . . . . 43 TYR HD2 . 11155 1 467 . 1 1 43 43 TYR HE1 H 1 6.262 0.030 . 1 . . . . 43 TYR HE1 . 11155 1 468 . 1 1 43 43 TYR HE2 H 1 6.262 0.030 . 1 . . . . 43 TYR HE2 . 11155 1 469 . 1 1 43 43 TYR C C 13 175.599 0.300 . 1 . . . . 43 TYR C . 11155 1 470 . 1 1 43 43 TYR CA C 13 57.454 0.300 . 1 . . . . 43 TYR CA . 11155 1 471 . 1 1 43 43 TYR CB C 13 39.448 0.300 . 1 . . . . 43 TYR CB . 11155 1 472 . 1 1 43 43 TYR CD1 C 13 132.726 0.300 . 1 . . . . 43 TYR CD1 . 11155 1 473 . 1 1 43 43 TYR CD2 C 13 132.726 0.300 . 1 . . . . 43 TYR CD2 . 11155 1 474 . 1 1 43 43 TYR CE1 C 13 117.656 0.300 . 1 . . . . 43 TYR CE1 . 11155 1 475 . 1 1 43 43 TYR CE2 C 13 117.656 0.300 . 1 . . . . 43 TYR CE2 . 11155 1 476 . 1 1 43 43 TYR N N 15 125.196 0.300 . 1 . . . . 43 TYR N . 11155 1 477 . 1 1 44 44 VAL H H 1 9.263 0.030 . 1 . . . . 44 VAL H . 11155 1 478 . 1 1 44 44 VAL HA H 1 4.327 0.030 . 1 . . . . 44 VAL HA . 11155 1 479 . 1 1 44 44 VAL HB H 1 2.246 0.030 . 1 . . . . 44 VAL HB . 11155 1 480 . 1 1 44 44 VAL HG11 H 1 0.770 0.030 . 1 . . . . 44 VAL HG1 . 11155 1 481 . 1 1 44 44 VAL HG12 H 1 0.770 0.030 . 1 . . . . 44 VAL HG1 . 11155 1 482 . 1 1 44 44 VAL HG13 H 1 0.770 0.030 . 1 . . . . 44 VAL HG1 . 11155 1 483 . 1 1 44 44 VAL HG21 H 1 1.209 0.030 . 1 . . . . 44 VAL HG2 . 11155 1 484 . 1 1 44 44 VAL HG22 H 1 1.209 0.030 . 1 . . . . 44 VAL HG2 . 11155 1 485 . 1 1 44 44 VAL HG23 H 1 1.209 0.030 . 1 . . . . 44 VAL HG2 . 11155 1 486 . 1 1 44 44 VAL C C 13 175.726 0.300 . 1 . . . . 44 VAL C . 11155 1 487 . 1 1 44 44 VAL CA C 13 64.435 0.300 . 1 . . . . 44 VAL CA . 11155 1 488 . 1 1 44 44 VAL CB C 13 32.575 0.300 . 1 . . . . 44 VAL CB . 11155 1 489 . 1 1 44 44 VAL CG1 C 13 21.823 0.300 . 2 . . . . 44 VAL CG1 . 11155 1 490 . 1 1 44 44 VAL CG2 C 13 24.849 0.300 . 2 . . . . 44 VAL CG2 . 11155 1 491 . 1 1 44 44 VAL N N 15 125.541 0.300 . 1 . . . . 44 VAL N . 11155 1 492 . 1 1 45 45 ILE H H 1 9.373 0.030 . 1 . . . . 45 ILE H . 11155 1 493 . 1 1 45 45 ILE HA H 1 4.741 0.030 . 1 . . . . 45 ILE HA . 11155 1 494 . 1 1 45 45 ILE HB H 1 2.186 0.030 . 1 . . . . 45 ILE HB . 11155 1 495 . 1 1 45 45 ILE HD11 H 1 0.920 0.030 . 1 . . . . 45 ILE HD1 . 11155 1 496 . 1 1 45 45 ILE HD12 H 1 0.920 0.030 . 1 . . . . 45 ILE HD1 . 11155 1 497 . 1 1 45 45 ILE HD13 H 1 0.920 0.030 . 1 . . . . 45 ILE HD1 . 11155 1 498 . 1 1 45 45 ILE HG12 H 1 1.455 0.030 . 2 . . . . 45 ILE HG12 . 11155 1 499 . 1 1 45 45 ILE HG13 H 1 1.056 0.030 . 2 . . . . 45 ILE HG13 . 11155 1 500 . 1 1 45 45 ILE HG21 H 1 1.143 0.030 . 1 . . . . 45 ILE HG2 . 11155 1 501 . 1 1 45 45 ILE HG22 H 1 1.143 0.030 . 1 . . . . 45 ILE HG2 . 11155 1 502 . 1 1 45 45 ILE HG23 H 1 1.143 0.030 . 1 . . . . 45 ILE HG2 . 11155 1 503 . 1 1 45 45 ILE C C 13 175.503 0.300 . 1 . . . . 45 ILE C . 11155 1 504 . 1 1 45 45 ILE CA C 13 61.615 0.300 . 1 . . . . 45 ILE CA . 11155 1 505 . 1 1 45 45 ILE CB C 13 39.840 0.300 . 1 . . . . 45 ILE CB . 11155 1 506 . 1 1 45 45 ILE CD1 C 13 13.457 0.300 . 1 . . . . 45 ILE CD1 . 11155 1 507 . 1 1 45 45 ILE CG1 C 13 26.483 0.300 . 1 . . . . 45 ILE CG1 . 11155 1 508 . 1 1 45 45 ILE CG2 C 13 18.236 0.300 . 1 . . . . 45 ILE CG2 . 11155 1 509 . 1 1 45 45 ILE N N 15 122.260 0.300 . 1 . . . . 45 ILE N . 11155 1 510 . 1 1 46 46 LYS H H 1 7.883 0.030 . 1 . . . . 46 LYS H . 11155 1 511 . 1 1 46 46 LYS HA H 1 4.399 0.030 . 1 . . . . 46 LYS HA . 11155 1 512 . 1 1 46 46 LYS HB2 H 1 1.785 0.030 . 1 . . . . 46 LYS HB2 . 11155 1 513 . 1 1 46 46 LYS HB3 H 1 1.785 0.030 . 1 . . . . 46 LYS HB3 . 11155 1 514 . 1 1 46 46 LYS HD2 H 1 1.711 0.030 . 1 . . . . 46 LYS HD2 . 11155 1 515 . 1 1 46 46 LYS HD3 H 1 1.711 0.030 . 1 . . . . 46 LYS HD3 . 11155 1 516 . 1 1 46 46 LYS HE2 H 1 3.018 0.030 . 1 . . . . 46 LYS HE2 . 11155 1 517 . 1 1 46 46 LYS HE3 H 1 3.018 0.030 . 1 . . . . 46 LYS HE3 . 11155 1 518 . 1 1 46 46 LYS HG2 H 1 1.373 0.030 . 1 . . . . 46 LYS HG2 . 11155 1 519 . 1 1 46 46 LYS HG3 H 1 1.373 0.030 . 1 . . . . 46 LYS HG3 . 11155 1 520 . 1 1 46 46 LYS C C 13 173.615 0.300 . 1 . . . . 46 LYS C . 11155 1 521 . 1 1 46 46 LYS CA C 13 56.968 0.300 . 1 . . . . 46 LYS CA . 11155 1 522 . 1 1 46 46 LYS CB C 13 37.025 0.300 . 1 . . . . 46 LYS CB . 11155 1 523 . 1 1 46 46 LYS CD C 13 29.494 0.300 . 1 . . . . 46 LYS CD . 11155 1 524 . 1 1 46 46 LYS CE C 13 42.101 0.300 . 1 . . . . 46 LYS CE . 11155 1 525 . 1 1 46 46 LYS CG C 13 25.209 0.300 . 1 . . . . 46 LYS CG . 11155 1 526 . 1 1 46 46 LYS N N 15 121.900 0.300 . 1 . . . . 46 LYS N . 11155 1 527 . 1 1 47 47 LYS H H 1 8.629 0.030 . 1 . . . . 47 LYS H . 11155 1 528 . 1 1 47 47 LYS HA H 1 4.432 0.030 . 1 . . . . 47 LYS HA . 11155 1 529 . 1 1 47 47 LYS HB2 H 1 1.534 0.030 . 2 . . . . 47 LYS HB2 . 11155 1 530 . 1 1 47 47 LYS HB3 H 1 1.482 0.030 . 2 . . . . 47 LYS HB3 . 11155 1 531 . 1 1 47 47 LYS HD2 H 1 1.297 0.030 . 2 . . . . 47 LYS HD2 . 11155 1 532 . 1 1 47 47 LYS HD3 H 1 1.363 0.030 . 2 . . . . 47 LYS HD3 . 11155 1 533 . 1 1 47 47 LYS HE2 H 1 2.314 0.030 . 1 . . . . 47 LYS HE2 . 11155 1 534 . 1 1 47 47 LYS HE3 H 1 2.314 0.030 . 1 . . . . 47 LYS HE3 . 11155 1 535 . 1 1 47 47 LYS HG2 H 1 -0.143 0.030 . 2 . . . . 47 LYS HG2 . 11155 1 536 . 1 1 47 47 LYS HG3 H 1 0.680 0.030 . 2 . . . . 47 LYS HG3 . 11155 1 537 . 1 1 47 47 LYS C C 13 174.950 0.300 . 1 . . . . 47 LYS C . 11155 1 538 . 1 1 47 47 LYS CA C 13 55.887 0.300 . 1 . . . . 47 LYS CA . 11155 1 539 . 1 1 47 47 LYS CB C 13 34.200 0.300 . 1 . . . . 47 LYS CB . 11155 1 540 . 1 1 47 47 LYS CD C 13 29.459 0.300 . 1 . . . . 47 LYS CD . 11155 1 541 . 1 1 47 47 LYS CE C 13 42.349 0.300 . 1 . . . . 47 LYS CE . 11155 1 542 . 1 1 47 47 LYS CG C 13 24.827 0.300 . 1 . . . . 47 LYS CG . 11155 1 543 . 1 1 47 47 LYS N N 15 123.554 0.300 . 1 . . . . 47 LYS N . 11155 1 544 . 1 1 48 48 ASN H H 1 8.390 0.030 . 1 . . . . 48 ASN H . 11155 1 545 . 1 1 48 48 ASN HA H 1 5.061 0.030 . 1 . . . . 48 ASN HA . 11155 1 546 . 1 1 48 48 ASN HB2 H 1 3.460 0.030 . 2 . . . . 48 ASN HB2 . 11155 1 547 . 1 1 48 48 ASN HB3 H 1 2.943 0.030 . 2 . . . . 48 ASN HB3 . 11155 1 548 . 1 1 48 48 ASN HD21 H 1 7.073 0.030 . 2 . . . . 48 ASN HD21 . 11155 1 549 . 1 1 48 48 ASN HD22 H 1 7.181 0.030 . 2 . . . . 48 ASN HD22 . 11155 1 550 . 1 1 48 48 ASN C C 13 177.344 0.300 . 1 . . . . 48 ASN C . 11155 1 551 . 1 1 48 48 ASN CA C 13 52.611 0.300 . 1 . . . . 48 ASN CA . 11155 1 552 . 1 1 48 48 ASN CB C 13 40.464 0.300 . 1 . . . . 48 ASN CB . 11155 1 553 . 1 1 48 48 ASN N N 15 121.248 0.300 . 1 . . . . 48 ASN N . 11155 1 554 . 1 1 48 48 ASN ND2 N 15 111.046 0.300 . 1 . . . . 48 ASN ND2 . 11155 1 555 . 1 1 49 49 ASP HA H 1 4.479 0.030 . 1 . . . . 49 ASP HA . 11155 1 556 . 1 1 49 49 ASP HB2 H 1 2.794 0.030 . 2 . . . . 49 ASP HB2 . 11155 1 557 . 1 1 49 49 ASP HB3 H 1 2.720 0.030 . 2 . . . . 49 ASP HB3 . 11155 1 558 . 1 1 49 49 ASP C C 13 176.171 0.300 . 1 . . . . 49 ASP C . 11155 1 559 . 1 1 49 49 ASP CA C 13 56.536 0.300 . 1 . . . . 49 ASP CA . 11155 1 560 . 1 1 49 49 ASP CB C 13 40.413 0.300 . 1 . . . . 49 ASP CB . 11155 1 561 . 1 1 50 50 ASP H H 1 8.054 0.030 . 1 . . . . 50 ASP H . 11155 1 562 . 1 1 50 50 ASP HA H 1 4.601 0.030 . 1 . . . . 50 ASP HA . 11155 1 563 . 1 1 50 50 ASP HB2 H 1 2.700 0.030 . 2 . . . . 50 ASP HB2 . 11155 1 564 . 1 1 50 50 ASP HB3 H 1 3.137 0.030 . 2 . . . . 50 ASP HB3 . 11155 1 565 . 1 1 50 50 ASP C C 13 177.222 0.300 . 1 . . . . 50 ASP C . 11155 1 566 . 1 1 50 50 ASP CA C 13 53.505 0.300 . 1 . . . . 50 ASP CA . 11155 1 567 . 1 1 50 50 ASP CB C 13 40.212 0.300 . 1 . . . . 50 ASP CB . 11155 1 568 . 1 1 50 50 ASP N N 15 117.254 0.300 . 1 . . . . 50 ASP N . 11155 1 569 . 1 1 51 51 GLY H H 1 8.047 0.030 . 1 . . . . 51 GLY H . 11155 1 570 . 1 1 51 51 GLY HA2 H 1 3.769 0.030 . 2 . . . . 51 GLY HA2 . 11155 1 571 . 1 1 51 51 GLY HA3 H 1 4.283 0.030 . 2 . . . . 51 GLY HA3 . 11155 1 572 . 1 1 51 51 GLY C C 13 174.578 0.300 . 1 . . . . 51 GLY C . 11155 1 573 . 1 1 51 51 GLY CA C 13 45.370 0.300 . 1 . . . . 51 GLY CA . 11155 1 574 . 1 1 51 51 GLY N N 15 106.520 0.300 . 1 . . . . 51 GLY N . 11155 1 575 . 1 1 52 52 TRP H H 1 8.066 0.030 . 1 . . . . 52 TRP H . 11155 1 576 . 1 1 52 52 TRP HA H 1 4.465 0.030 . 1 . . . . 52 TRP HA . 11155 1 577 . 1 1 52 52 TRP HB2 H 1 2.889 0.030 . 2 . . . . 52 TRP HB2 . 11155 1 578 . 1 1 52 52 TRP HB3 H 1 3.398 0.030 . 2 . . . . 52 TRP HB3 . 11155 1 579 . 1 1 52 52 TRP HD1 H 1 7.071 0.030 . 1 . . . . 52 TRP HD1 . 11155 1 580 . 1 1 52 52 TRP HE1 H 1 10.097 0.030 . 1 . . . . 52 TRP HE1 . 11155 1 581 . 1 1 52 52 TRP HE3 H 1 7.190 0.030 . 1 . . . . 52 TRP HE3 . 11155 1 582 . 1 1 52 52 TRP HH2 H 1 7.338 0.030 . 1 . . . . 52 TRP HH2 . 11155 1 583 . 1 1 52 52 TRP HZ2 H 1 7.479 0.030 . 1 . . . . 52 TRP HZ2 . 11155 1 584 . 1 1 52 52 TRP HZ3 H 1 6.702 0.030 . 1 . . . . 52 TRP HZ3 . 11155 1 585 . 1 1 52 52 TRP C C 13 175.083 0.300 . 1 . . . . 52 TRP C . 11155 1 586 . 1 1 52 52 TRP CA C 13 57.897 0.300 . 1 . . . . 52 TRP CA . 11155 1 587 . 1 1 52 52 TRP CB C 13 28.593 0.300 . 1 . . . . 52 TRP CB . 11155 1 588 . 1 1 52 52 TRP CD1 C 13 126.966 0.300 . 1 . . . . 52 TRP CD1 . 11155 1 589 . 1 1 52 52 TRP CE3 C 13 119.370 0.300 . 1 . . . . 52 TRP CE3 . 11155 1 590 . 1 1 52 52 TRP CH2 C 13 125.707 0.300 . 1 . . . . 52 TRP CH2 . 11155 1 591 . 1 1 52 52 TRP CZ2 C 13 114.632 0.300 . 1 . . . . 52 TRP CZ2 . 11155 1 592 . 1 1 52 52 TRP CZ3 C 13 120.614 0.300 . 1 . . . . 52 TRP CZ3 . 11155 1 593 . 1 1 52 52 TRP N N 15 122.070 0.300 . 1 . . . . 52 TRP N . 11155 1 594 . 1 1 52 52 TRP NE1 N 15 130.085 0.300 . 1 . . . . 52 TRP NE1 . 11155 1 595 . 1 1 53 53 TYR H H 1 9.040 0.030 . 1 . . . . 53 TYR H . 11155 1 596 . 1 1 53 53 TYR HA H 1 5.190 0.030 . 1 . . . . 53 TYR HA . 11155 1 597 . 1 1 53 53 TYR HB2 H 1 2.620 0.030 . 2 . . . . 53 TYR HB2 . 11155 1 598 . 1 1 53 53 TYR HB3 H 1 1.827 0.030 . 2 . . . . 53 TYR HB3 . 11155 1 599 . 1 1 53 53 TYR HD1 H 1 6.898 0.030 . 1 . . . . 53 TYR HD1 . 11155 1 600 . 1 1 53 53 TYR HD2 H 1 6.898 0.030 . 1 . . . . 53 TYR HD2 . 11155 1 601 . 1 1 53 53 TYR HE1 H 1 6.835 0.030 . 1 . . . . 53 TYR HE1 . 11155 1 602 . 1 1 53 53 TYR HE2 H 1 6.835 0.030 . 1 . . . . 53 TYR HE2 . 11155 1 603 . 1 1 53 53 TYR C C 13 173.659 0.300 . 1 . . . . 53 TYR C . 11155 1 604 . 1 1 53 53 TYR CA C 13 52.209 0.300 . 1 . . . . 53 TYR CA . 11155 1 605 . 1 1 53 53 TYR CB C 13 39.579 0.300 . 1 . . . . 53 TYR CB . 11155 1 606 . 1 1 53 53 TYR CD1 C 13 130.462 0.300 . 1 . . . . 53 TYR CD1 . 11155 1 607 . 1 1 53 53 TYR CD2 C 13 130.462 0.300 . 1 . . . . 53 TYR CD2 . 11155 1 608 . 1 1 53 53 TYR CE1 C 13 118.292 0.300 . 1 . . . . 53 TYR CE1 . 11155 1 609 . 1 1 53 53 TYR CE2 C 13 118.292 0.300 . 1 . . . . 53 TYR CE2 . 11155 1 610 . 1 1 53 53 TYR N N 15 123.096 0.300 . 1 . . . . 53 TYR N . 11155 1 611 . 1 1 54 54 GLU H H 1 8.750 0.030 . 1 . . . . 54 GLU H . 11155 1 612 . 1 1 54 54 GLU HA H 1 5.158 0.030 . 1 . . . . 54 GLU HA . 11155 1 613 . 1 1 54 54 GLU HB2 H 1 2.088 0.030 . 2 . . . . 54 GLU HB2 . 11155 1 614 . 1 1 54 54 GLU HB3 H 1 1.765 0.030 . 2 . . . . 54 GLU HB3 . 11155 1 615 . 1 1 54 54 GLU HG2 H 1 2.086 0.030 . 2 . . . . 54 GLU HG2 . 11155 1 616 . 1 1 54 54 GLU HG3 H 1 2.043 0.030 . 2 . . . . 54 GLU HG3 . 11155 1 617 . 1 1 54 54 GLU C C 13 177.077 0.300 . 1 . . . . 54 GLU C . 11155 1 618 . 1 1 54 54 GLU CA C 13 54.880 0.300 . 1 . . . . 54 GLU CA . 11155 1 619 . 1 1 54 54 GLU CB C 13 33.462 0.300 . 1 . . . . 54 GLU CB . 11155 1 620 . 1 1 54 54 GLU CG C 13 36.993 0.300 . 1 . . . . 54 GLU CG . 11155 1 621 . 1 1 54 54 GLU N N 15 119.048 0.300 . 1 . . . . 54 GLU N . 11155 1 622 . 1 1 55 55 GLY H H 1 9.481 0.030 . 1 . . . . 55 GLY H . 11155 1 623 . 1 1 55 55 GLY HA2 H 1 3.896 0.030 . 2 . . . . 55 GLY HA2 . 11155 1 624 . 1 1 55 55 GLY HA3 H 1 5.491 0.030 . 2 . . . . 55 GLY HA3 . 11155 1 625 . 1 1 55 55 GLY C C 13 169.554 0.300 . 1 . . . . 55 GLY C . 11155 1 626 . 1 1 55 55 GLY CA C 13 45.777 0.300 . 1 . . . . 55 GLY CA . 11155 1 627 . 1 1 55 55 GLY N N 15 113.206 0.300 . 1 . . . . 55 GLY N . 11155 1 628 . 1 1 56 56 VAL H H 1 9.056 0.030 . 1 . . . . 56 VAL H . 11155 1 629 . 1 1 56 56 VAL HA H 1 5.233 0.030 . 1 . . . . 56 VAL HA . 11155 1 630 . 1 1 56 56 VAL HB H 1 2.114 0.030 . 1 . . . . 56 VAL HB . 11155 1 631 . 1 1 56 56 VAL HG11 H 1 1.095 0.030 . 1 . . . . 56 VAL HG1 . 11155 1 632 . 1 1 56 56 VAL HG12 H 1 1.095 0.030 . 1 . . . . 56 VAL HG1 . 11155 1 633 . 1 1 56 56 VAL HG13 H 1 1.095 0.030 . 1 . . . . 56 VAL HG1 . 11155 1 634 . 1 1 56 56 VAL HG21 H 1 1.213 0.030 . 1 . . . . 56 VAL HG2 . 11155 1 635 . 1 1 56 56 VAL HG22 H 1 1.213 0.030 . 1 . . . . 56 VAL HG2 . 11155 1 636 . 1 1 56 56 VAL HG23 H 1 1.213 0.030 . 1 . . . . 56 VAL HG2 . 11155 1 637 . 1 1 56 56 VAL C C 13 175.258 0.300 . 1 . . . . 56 VAL C . 11155 1 638 . 1 1 56 56 VAL CA C 13 60.776 0.300 . 1 . . . . 56 VAL CA . 11155 1 639 . 1 1 56 56 VAL CB C 13 35.047 0.300 . 1 . . . . 56 VAL CB . 11155 1 640 . 1 1 56 56 VAL CG1 C 13 21.536 0.300 . 2 . . . . 56 VAL CG1 . 11155 1 641 . 1 1 56 56 VAL CG2 C 13 21.086 0.300 . 2 . . . . 56 VAL CG2 . 11155 1 642 . 1 1 56 56 VAL N N 15 118.184 0.300 . 1 . . . . 56 VAL N . 11155 1 643 . 1 1 57 57 MET H H 1 9.182 0.030 . 1 . . . . 57 MET H . 11155 1 644 . 1 1 57 57 MET HA H 1 4.631 0.030 . 1 . . . . 57 MET HA . 11155 1 645 . 1 1 57 57 MET HB2 H 1 1.697 0.030 . 2 . . . . 57 MET HB2 . 11155 1 646 . 1 1 57 57 MET HB3 H 1 2.182 0.030 . 2 . . . . 57 MET HB3 . 11155 1 647 . 1 1 57 57 MET HE1 H 1 2.234 0.030 . 1 . . . . 57 MET HE . 11155 1 648 . 1 1 57 57 MET HE2 H 1 2.234 0.030 . 1 . . . . 57 MET HE . 11155 1 649 . 1 1 57 57 MET HE3 H 1 2.234 0.030 . 1 . . . . 57 MET HE . 11155 1 650 . 1 1 57 57 MET HG2 H 1 2.334 0.030 . 2 . . . . 57 MET HG2 . 11155 1 651 . 1 1 57 57 MET HG3 H 1 2.514 0.030 . 2 . . . . 57 MET HG3 . 11155 1 652 . 1 1 57 57 MET C C 13 175.061 0.300 . 1 . . . . 57 MET C . 11155 1 653 . 1 1 57 57 MET CA C 13 55.519 0.300 . 1 . . . . 57 MET CA . 11155 1 654 . 1 1 57 57 MET CB C 13 36.299 0.300 . 1 . . . . 57 MET CB . 11155 1 655 . 1 1 57 57 MET CE C 13 17.141 0.300 . 1 . . . . 57 MET CE . 11155 1 656 . 1 1 57 57 MET CG C 13 31.601 0.300 . 1 . . . . 57 MET CG . 11155 1 657 . 1 1 57 57 MET N N 15 127.487 0.300 . 1 . . . . 57 MET N . 11155 1 658 . 1 1 58 58 ASN H H 1 6.549 0.030 . 1 . . . . 58 ASN H . 11155 1 659 . 1 1 58 58 ASN HA H 1 2.710 0.030 . 1 . . . . 58 ASN HA . 11155 1 660 . 1 1 58 58 ASN HB2 H 1 2.395 0.030 . 2 . . . . 58 ASN HB2 . 11155 1 661 . 1 1 58 58 ASN HB3 H 1 2.783 0.030 . 2 . . . . 58 ASN HB3 . 11155 1 662 . 1 1 58 58 ASN HD21 H 1 7.451 0.030 . 2 . . . . 58 ASN HD21 . 11155 1 663 . 1 1 58 58 ASN HD22 H 1 6.815 0.030 . 2 . . . . 58 ASN HD22 . 11155 1 664 . 1 1 58 58 ASN C C 13 174.076 0.300 . 1 . . . . 58 ASN C . 11155 1 665 . 1 1 58 58 ASN CA C 13 53.925 0.300 . 1 . . . . 58 ASN CA . 11155 1 666 . 1 1 58 58 ASN CB C 13 36.119 0.300 . 1 . . . . 58 ASN CB . 11155 1 667 . 1 1 58 58 ASN N N 15 122.319 0.300 . 1 . . . . 58 ASN N . 11155 1 668 . 1 1 58 58 ASN ND2 N 15 110.741 0.300 . 1 . . . . 58 ASN ND2 . 11155 1 669 . 1 1 59 59 GLY H H 1 5.679 0.030 . 1 . . . . 59 GLY H . 11155 1 670 . 1 1 59 59 GLY HA2 H 1 3.465 0.030 . 2 . . . . 59 GLY HA2 . 11155 1 671 . 1 1 59 59 GLY HA3 H 1 4.003 0.030 . 2 . . . . 59 GLY HA3 . 11155 1 672 . 1 1 59 59 GLY C C 13 172.888 0.300 . 1 . . . . 59 GLY C . 11155 1 673 . 1 1 59 59 GLY CA C 13 45.255 0.300 . 1 . . . . 59 GLY CA . 11155 1 674 . 1 1 59 59 GLY N N 15 100.017 0.300 . 1 . . . . 59 GLY N . 11155 1 675 . 1 1 60 60 VAL H H 1 7.638 0.030 . 1 . . . . 60 VAL H . 11155 1 676 . 1 1 60 60 VAL HA H 1 4.324 0.030 . 1 . . . . 60 VAL HA . 11155 1 677 . 1 1 60 60 VAL HB H 1 2.142 0.030 . 1 . . . . 60 VAL HB . 11155 1 678 . 1 1 60 60 VAL HG11 H 1 0.980 0.030 . 1 . . . . 60 VAL HG1 . 11155 1 679 . 1 1 60 60 VAL HG12 H 1 0.980 0.030 . 1 . . . . 60 VAL HG1 . 11155 1 680 . 1 1 60 60 VAL HG13 H 1 0.980 0.030 . 1 . . . . 60 VAL HG1 . 11155 1 681 . 1 1 60 60 VAL HG21 H 1 0.910 0.030 . 1 . . . . 60 VAL HG2 . 11155 1 682 . 1 1 60 60 VAL HG22 H 1 0.910 0.030 . 1 . . . . 60 VAL HG2 . 11155 1 683 . 1 1 60 60 VAL HG23 H 1 0.910 0.030 . 1 . . . . 60 VAL HG2 . 11155 1 684 . 1 1 60 60 VAL C C 13 174.112 0.300 . 1 . . . . 60 VAL C . 11155 1 685 . 1 1 60 60 VAL CA C 13 61.669 0.300 . 1 . . . . 60 VAL CA . 11155 1 686 . 1 1 60 60 VAL CB C 13 33.882 0.300 . 1 . . . . 60 VAL CB . 11155 1 687 . 1 1 60 60 VAL CG1 C 13 21.641 0.300 . 2 . . . . 60 VAL CG1 . 11155 1 688 . 1 1 60 60 VAL CG2 C 13 21.064 0.300 . 2 . . . . 60 VAL CG2 . 11155 1 689 . 1 1 60 60 VAL N N 15 122.827 0.300 . 1 . . . . 60 VAL N . 11155 1 690 . 1 1 61 61 THR H H 1 8.451 0.030 . 1 . . . . 61 THR H . 11155 1 691 . 1 1 61 61 THR HA H 1 5.678 0.030 . 1 . . . . 61 THR HA . 11155 1 692 . 1 1 61 61 THR HB H 1 4.043 0.030 . 1 . . . . 61 THR HB . 11155 1 693 . 1 1 61 61 THR HG21 H 1 1.250 0.030 . 1 . . . . 61 THR HG2 . 11155 1 694 . 1 1 61 61 THR HG22 H 1 1.250 0.030 . 1 . . . . 61 THR HG2 . 11155 1 695 . 1 1 61 61 THR HG23 H 1 1.250 0.030 . 1 . . . . 61 THR HG2 . 11155 1 696 . 1 1 61 61 THR C C 13 175.198 0.300 . 1 . . . . 61 THR C . 11155 1 697 . 1 1 61 61 THR CA C 13 61.030 0.300 . 1 . . . . 61 THR CA . 11155 1 698 . 1 1 61 61 THR CB C 13 70.433 0.300 . 1 . . . . 61 THR CB . 11155 1 699 . 1 1 61 61 THR CG2 C 13 21.584 0.300 . 1 . . . . 61 THR CG2 . 11155 1 700 . 1 1 61 61 THR N N 15 121.278 0.300 . 1 . . . . 61 THR N . 11155 1 701 . 1 1 62 62 GLY H H 1 9.097 0.030 . 1 . . . . 62 GLY H . 11155 1 702 . 1 1 62 62 GLY HA2 H 1 3.967 0.030 . 2 . . . . 62 GLY HA2 . 11155 1 703 . 1 1 62 62 GLY HA3 H 1 4.544 0.030 . 2 . . . . 62 GLY HA3 . 11155 1 704 . 1 1 62 62 GLY C C 13 171.361 0.300 . 1 . . . . 62 GLY C . 11155 1 705 . 1 1 62 62 GLY CA C 13 46.207 0.300 . 1 . . . . 62 GLY CA . 11155 1 706 . 1 1 62 62 GLY N N 15 111.784 0.300 . 1 . . . . 62 GLY N . 11155 1 707 . 1 1 63 63 LEU H H 1 8.734 0.030 . 1 . . . . 63 LEU H . 11155 1 708 . 1 1 63 63 LEU HA H 1 5.862 0.030 . 1 . . . . 63 LEU HA . 11155 1 709 . 1 1 63 63 LEU HB2 H 1 1.703 0.030 . 1 . . . . 63 LEU HB2 . 11155 1 710 . 1 1 63 63 LEU HB3 H 1 1.703 0.030 . 1 . . . . 63 LEU HB3 . 11155 1 711 . 1 1 63 63 LEU HD11 H 1 0.719 0.030 . 1 . . . . 63 LEU HD1 . 11155 1 712 . 1 1 63 63 LEU HD12 H 1 0.719 0.030 . 1 . . . . 63 LEU HD1 . 11155 1 713 . 1 1 63 63 LEU HD13 H 1 0.719 0.030 . 1 . . . . 63 LEU HD1 . 11155 1 714 . 1 1 63 63 LEU HD21 H 1 0.797 0.030 . 1 . . . . 63 LEU HD2 . 11155 1 715 . 1 1 63 63 LEU HD22 H 1 0.797 0.030 . 1 . . . . 63 LEU HD2 . 11155 1 716 . 1 1 63 63 LEU HD23 H 1 0.797 0.030 . 1 . . . . 63 LEU HD2 . 11155 1 717 . 1 1 63 63 LEU HG H 1 1.763 0.030 . 1 . . . . 63 LEU HG . 11155 1 718 . 1 1 63 63 LEU C C 13 178.140 0.300 . 1 . . . . 63 LEU C . 11155 1 719 . 1 1 63 63 LEU CA C 13 54.481 0.300 . 1 . . . . 63 LEU CA . 11155 1 720 . 1 1 63 63 LEU CB C 13 46.021 0.300 . 1 . . . . 63 LEU CB . 11155 1 721 . 1 1 63 63 LEU CD1 C 13 25.510 0.300 . 2 . . . . 63 LEU CD1 . 11155 1 722 . 1 1 63 63 LEU CD2 C 13 23.747 0.300 . 2 . . . . 63 LEU CD2 . 11155 1 723 . 1 1 63 63 LEU CG C 13 28.011 0.300 . 1 . . . . 63 LEU CG . 11155 1 724 . 1 1 63 63 LEU N N 15 120.601 0.300 . 1 . . . . 63 LEU N . 11155 1 725 . 1 1 64 64 PHE H H 1 8.998 0.030 . 1 . . . . 64 PHE H . 11155 1 726 . 1 1 64 64 PHE HA H 1 4.848 0.030 . 1 . . . . 64 PHE HA . 11155 1 727 . 1 1 64 64 PHE HB2 H 1 3.430 0.030 . 2 . . . . 64 PHE HB2 . 11155 1 728 . 1 1 64 64 PHE HB3 H 1 2.508 0.030 . 2 . . . . 64 PHE HB3 . 11155 1 729 . 1 1 64 64 PHE HD1 H 1 7.037 0.030 . 1 . . . . 64 PHE HD1 . 11155 1 730 . 1 1 64 64 PHE HD2 H 1 7.037 0.030 . 1 . . . . 64 PHE HD2 . 11155 1 731 . 1 1 64 64 PHE HE1 H 1 6.936 0.030 . 1 . . . . 64 PHE HE1 . 11155 1 732 . 1 1 64 64 PHE HE2 H 1 6.936 0.030 . 1 . . . . 64 PHE HE2 . 11155 1 733 . 1 1 64 64 PHE HZ H 1 6.971 0.030 . 1 . . . . 64 PHE HZ . 11155 1 734 . 1 1 64 64 PHE C C 13 170.518 0.300 . 1 . . . . 64 PHE C . 11155 1 735 . 1 1 64 64 PHE CA C 13 56.256 0.300 . 1 . . . . 64 PHE CA . 11155 1 736 . 1 1 64 64 PHE CB C 13 38.324 0.300 . 1 . . . . 64 PHE CB . 11155 1 737 . 1 1 64 64 PHE CD1 C 13 134.017 0.300 . 1 . . . . 64 PHE CD1 . 11155 1 738 . 1 1 64 64 PHE CD2 C 13 134.017 0.300 . 1 . . . . 64 PHE CD2 . 11155 1 739 . 1 1 64 64 PHE CE1 C 13 130.080 0.300 . 1 . . . . 64 PHE CE1 . 11155 1 740 . 1 1 64 64 PHE CE2 C 13 130.080 0.300 . 1 . . . . 64 PHE CE2 . 11155 1 741 . 1 1 64 64 PHE CZ C 13 128.259 0.300 . 1 . . . . 64 PHE CZ . 11155 1 742 . 1 1 64 64 PHE N N 15 114.467 0.300 . 1 . . . . 64 PHE N . 11155 1 743 . 1 1 65 65 PRO HA H 1 3.252 0.030 . 1 . . . . 65 PRO HA . 11155 1 744 . 1 1 65 65 PRO HB2 H 1 1.217 0.030 . 2 . . . . 65 PRO HB2 . 11155 1 745 . 1 1 65 65 PRO HB3 H 1 1.574 0.030 . 2 . . . . 65 PRO HB3 . 11155 1 746 . 1 1 65 65 PRO HD2 H 1 2.338 0.030 . 2 . . . . 65 PRO HD2 . 11155 1 747 . 1 1 65 65 PRO HD3 H 1 2.057 0.030 . 2 . . . . 65 PRO HD3 . 11155 1 748 . 1 1 65 65 PRO HG2 H 1 0.968 0.030 . 2 . . . . 65 PRO HG2 . 11155 1 749 . 1 1 65 65 PRO HG3 H 1 0.347 0.030 . 2 . . . . 65 PRO HG3 . 11155 1 750 . 1 1 65 65 PRO C C 13 178.378 0.300 . 1 . . . . 65 PRO C . 11155 1 751 . 1 1 65 65 PRO CA C 13 62.010 0.300 . 1 . . . . 65 PRO CA . 11155 1 752 . 1 1 65 65 PRO CB C 13 30.515 0.300 . 1 . . . . 65 PRO CB . 11155 1 753 . 1 1 65 65 PRO CD C 13 49.575 0.300 . 1 . . . . 65 PRO CD . 11155 1 754 . 1 1 65 65 PRO CG C 13 27.434 0.300 . 1 . . . . 65 PRO CG . 11155 1 755 . 1 1 66 66 GLY H H 1 7.949 0.030 . 1 . . . . 66 GLY H . 11155 1 756 . 1 1 66 66 GLY HA2 H 1 2.662 0.030 . 2 . . . . 66 GLY HA2 . 11155 1 757 . 1 1 66 66 GLY HA3 H 1 2.507 0.030 . 2 . . . . 66 GLY HA3 . 11155 1 758 . 1 1 66 66 GLY C C 13 173.951 0.300 . 1 . . . . 66 GLY C . 11155 1 759 . 1 1 66 66 GLY CA C 13 45.467 0.300 . 1 . . . . 66 GLY CA . 11155 1 760 . 1 1 66 66 GLY N N 15 111.713 0.300 . 1 . . . . 66 GLY N . 11155 1 761 . 1 1 67 67 ASN H H 1 8.117 0.030 . 1 . . . . 67 ASN H . 11155 1 762 . 1 1 67 67 ASN HA H 1 4.737 0.030 . 1 . . . . 67 ASN HA . 11155 1 763 . 1 1 67 67 ASN HB2 H 1 2.682 0.030 . 2 . . . . 67 ASN HB2 . 11155 1 764 . 1 1 67 67 ASN HB3 H 1 2.978 0.030 . 2 . . . . 67 ASN HB3 . 11155 1 765 . 1 1 67 67 ASN HD21 H 1 6.575 0.030 . 2 . . . . 67 ASN HD21 . 11155 1 766 . 1 1 67 67 ASN HD22 H 1 7.493 0.030 . 2 . . . . 67 ASN HD22 . 11155 1 767 . 1 1 67 67 ASN C C 13 175.423 0.300 . 1 . . . . 67 ASN C . 11155 1 768 . 1 1 67 67 ASN CA C 13 53.752 0.300 . 1 . . . . 67 ASN CA . 11155 1 769 . 1 1 67 67 ASN CB C 13 36.324 0.300 . 1 . . . . 67 ASN CB . 11155 1 770 . 1 1 67 67 ASN N N 15 113.073 0.300 . 1 . . . . 67 ASN N . 11155 1 771 . 1 1 67 67 ASN ND2 N 15 112.230 0.300 . 1 . . . . 67 ASN ND2 . 11155 1 772 . 1 1 68 68 TYR H H 1 7.826 0.030 . 1 . . . . 68 TYR H . 11155 1 773 . 1 1 68 68 TYR HA H 1 4.591 0.030 . 1 . . . . 68 TYR HA . 11155 1 774 . 1 1 68 68 TYR HB2 H 1 3.329 0.030 . 2 . . . . 68 TYR HB2 . 11155 1 775 . 1 1 68 68 TYR HB3 H 1 3.681 0.030 . 2 . . . . 68 TYR HB3 . 11155 1 776 . 1 1 68 68 TYR HD1 H 1 7.153 0.030 . 1 . . . . 68 TYR HD1 . 11155 1 777 . 1 1 68 68 TYR HD2 H 1 7.153 0.030 . 1 . . . . 68 TYR HD2 . 11155 1 778 . 1 1 68 68 TYR HE1 H 1 6.997 0.030 . 1 . . . . 68 TYR HE1 . 11155 1 779 . 1 1 68 68 TYR HE2 H 1 6.997 0.030 . 1 . . . . 68 TYR HE2 . 11155 1 780 . 1 1 68 68 TYR C C 13 174.873 0.300 . 1 . . . . 68 TYR C . 11155 1 781 . 1 1 68 68 TYR CA C 13 59.302 0.300 . 1 . . . . 68 TYR CA . 11155 1 782 . 1 1 68 68 TYR CB C 13 38.160 0.300 . 1 . . . . 68 TYR CB . 11155 1 783 . 1 1 68 68 TYR CD1 C 13 132.611 0.300 . 1 . . . . 68 TYR CD1 . 11155 1 784 . 1 1 68 68 TYR CD2 C 13 132.611 0.300 . 1 . . . . 68 TYR CD2 . 11155 1 785 . 1 1 68 68 TYR CE1 C 13 118.395 0.300 . 1 . . . . 68 TYR CE1 . 11155 1 786 . 1 1 68 68 TYR CE2 C 13 118.395 0.300 . 1 . . . . 68 TYR CE2 . 11155 1 787 . 1 1 68 68 TYR N N 15 119.215 0.300 . 1 . . . . 68 TYR N . 11155 1 788 . 1 1 69 69 VAL H H 1 7.420 0.030 . 1 . . . . 69 VAL H . 11155 1 789 . 1 1 69 69 VAL HA H 1 5.386 0.030 . 1 . . . . 69 VAL HA . 11155 1 790 . 1 1 69 69 VAL HB H 1 1.841 0.030 . 1 . . . . 69 VAL HB . 11155 1 791 . 1 1 69 69 VAL HG11 H 1 0.470 0.030 . 1 . . . . 69 VAL HG1 . 11155 1 792 . 1 1 69 69 VAL HG12 H 1 0.470 0.030 . 1 . . . . 69 VAL HG1 . 11155 1 793 . 1 1 69 69 VAL HG13 H 1 0.470 0.030 . 1 . . . . 69 VAL HG1 . 11155 1 794 . 1 1 69 69 VAL HG21 H 1 1.043 0.030 . 1 . . . . 69 VAL HG2 . 11155 1 795 . 1 1 69 69 VAL HG22 H 1 1.043 0.030 . 1 . . . . 69 VAL HG2 . 11155 1 796 . 1 1 69 69 VAL HG23 H 1 1.043 0.030 . 1 . . . . 69 VAL HG2 . 11155 1 797 . 1 1 69 69 VAL C C 13 173.723 0.300 . 1 . . . . 69 VAL C . 11155 1 798 . 1 1 69 69 VAL CA C 13 58.379 0.300 . 1 . . . . 69 VAL CA . 11155 1 799 . 1 1 69 69 VAL CB C 13 36.161 0.300 . 1 . . . . 69 VAL CB . 11155 1 800 . 1 1 69 69 VAL CG1 C 13 21.986 0.300 . 2 . . . . 69 VAL CG1 . 11155 1 801 . 1 1 69 69 VAL CG2 C 13 18.268 0.300 . 2 . . . . 69 VAL CG2 . 11155 1 802 . 1 1 69 69 VAL N N 15 109.151 0.300 . 1 . . . . 69 VAL N . 11155 1 803 . 1 1 70 70 GLU H H 1 8.836 0.030 . 1 . . . . 70 GLU H . 11155 1 804 . 1 1 70 70 GLU HA H 1 4.790 0.030 . 1 . . . . 70 GLU HA . 11155 1 805 . 1 1 70 70 GLU HB2 H 1 1.867 0.030 . 1 . . . . 70 GLU HB2 . 11155 1 806 . 1 1 70 70 GLU HB3 H 1 1.867 0.030 . 1 . . . . 70 GLU HB3 . 11155 1 807 . 1 1 70 70 GLU HG2 H 1 2.186 0.030 . 1 . . . . 70 GLU HG2 . 11155 1 808 . 1 1 70 70 GLU HG3 H 1 2.186 0.030 . 1 . . . . 70 GLU HG3 . 11155 1 809 . 1 1 70 70 GLU C C 13 175.321 0.300 . 1 . . . . 70 GLU C . 11155 1 810 . 1 1 70 70 GLU CA C 13 54.387 0.300 . 1 . . . . 70 GLU CA . 11155 1 811 . 1 1 70 70 GLU CB C 13 33.976 0.300 . 1 . . . . 70 GLU CB . 11155 1 812 . 1 1 70 70 GLU CG C 13 36.126 0.300 . 1 . . . . 70 GLU CG . 11155 1 813 . 1 1 70 70 GLU N N 15 118.913 0.300 . 1 . . . . 70 GLU N . 11155 1 814 . 1 1 71 71 SER H H 1 8.731 0.030 . 1 . . . . 71 SER H . 11155 1 815 . 1 1 71 71 SER HA H 1 4.399 0.030 . 1 . . . . 71 SER HA . 11155 1 816 . 1 1 71 71 SER HB2 H 1 3.843 0.030 . 1 . . . . 71 SER HB2 . 11155 1 817 . 1 1 71 71 SER HB3 H 1 3.843 0.030 . 1 . . . . 71 SER HB3 . 11155 1 818 . 1 1 71 71 SER C C 13 175.300 0.300 . 1 . . . . 71 SER C . 11155 1 819 . 1 1 71 71 SER CA C 13 60.345 0.300 . 1 . . . . 71 SER CA . 11155 1 820 . 1 1 71 71 SER CB C 13 63.487 0.300 . 1 . . . . 71 SER CB . 11155 1 821 . 1 1 71 71 SER N N 15 118.109 0.300 . 1 . . . . 71 SER N . 11155 1 822 . 1 1 72 72 ILE H H 1 8.850 0.030 . 1 . . . . 72 ILE H . 11155 1 823 . 1 1 72 72 ILE HA H 1 4.389 0.030 . 1 . . . . 72 ILE HA . 11155 1 824 . 1 1 72 72 ILE HB H 1 1.804 0.030 . 1 . . . . 72 ILE HB . 11155 1 825 . 1 1 72 72 ILE HD11 H 1 0.713 0.030 . 1 . . . . 72 ILE HD1 . 11155 1 826 . 1 1 72 72 ILE HD12 H 1 0.713 0.030 . 1 . . . . 72 ILE HD1 . 11155 1 827 . 1 1 72 72 ILE HD13 H 1 0.713 0.030 . 1 . . . . 72 ILE HD1 . 11155 1 828 . 1 1 72 72 ILE HG12 H 1 1.291 0.030 . 2 . . . . 72 ILE HG12 . 11155 1 829 . 1 1 72 72 ILE HG13 H 1 0.898 0.030 . 2 . . . . 72 ILE HG13 . 11155 1 830 . 1 1 72 72 ILE HG21 H 1 0.866 0.030 . 1 . . . . 72 ILE HG2 . 11155 1 831 . 1 1 72 72 ILE HG22 H 1 0.866 0.030 . 1 . . . . 72 ILE HG2 . 11155 1 832 . 1 1 72 72 ILE HG23 H 1 0.866 0.030 . 1 . . . . 72 ILE HG2 . 11155 1 833 . 1 1 72 72 ILE C C 13 176.058 0.300 . 1 . . . . 72 ILE C . 11155 1 834 . 1 1 72 72 ILE CA C 13 61.791 0.300 . 1 . . . . 72 ILE CA . 11155 1 835 . 1 1 72 72 ILE CB C 13 39.497 0.300 . 1 . . . . 72 ILE CB . 11155 1 836 . 1 1 72 72 ILE CD1 C 13 13.930 0.300 . 1 . . . . 72 ILE CD1 . 11155 1 837 . 1 1 72 72 ILE CG1 C 13 27.352 0.300 . 1 . . . . 72 ILE CG1 . 11155 1 838 . 1 1 72 72 ILE CG2 C 13 17.759 0.300 . 1 . . . . 72 ILE CG2 . 11155 1 839 . 1 1 72 72 ILE N N 15 122.113 0.300 . 1 . . . . 72 ILE N . 11155 1 840 . 1 1 73 73 SER H H 1 8.283 0.030 . 1 . . . . 73 SER H . 11155 1 841 . 1 1 73 73 SER HA H 1 4.634 0.030 . 1 . . . . 73 SER HA . 11155 1 842 . 1 1 73 73 SER HB2 H 1 4.015 0.030 . 2 . . . . 73 SER HB2 . 11155 1 843 . 1 1 73 73 SER HB3 H 1 3.869 0.030 . 2 . . . . 73 SER HB3 . 11155 1 844 . 1 1 73 73 SER C C 13 173.963 0.300 . 1 . . . . 73 SER C . 11155 1 845 . 1 1 73 73 SER CA C 13 58.618 0.300 . 1 . . . . 73 SER CA . 11155 1 846 . 1 1 73 73 SER CB C 13 64.876 0.300 . 1 . . . . 73 SER CB . 11155 1 847 . 1 1 73 73 SER N N 15 117.528 0.300 . 1 . . . . 73 SER N . 11155 1 848 . 1 1 74 74 GLY H H 1 8.293 0.030 . 1 . . . . 74 GLY H . 11155 1 849 . 1 1 74 74 GLY HA2 H 1 4.100 0.030 . 2 . . . . 74 GLY HA2 . 11155 1 850 . 1 1 74 74 GLY HA3 H 1 4.373 0.030 . 2 . . . . 74 GLY HA3 . 11155 1 851 . 1 1 74 74 GLY C C 13 171.700 0.300 . 1 . . . . 74 GLY C . 11155 1 852 . 1 1 74 74 GLY CA C 13 44.564 0.300 . 1 . . . . 74 GLY CA . 11155 1 853 . 1 1 74 74 GLY N N 15 108.970 0.300 . 1 . . . . 74 GLY N . 11155 1 854 . 1 1 75 75 PRO HA H 1 4.340 0.030 . 1 . . . . 75 PRO HA . 11155 1 855 . 1 1 75 75 PRO HB2 H 1 1.964 0.030 . 2 . . . . 75 PRO HB2 . 11155 1 856 . 1 1 75 75 PRO HB3 H 1 2.364 0.030 . 2 . . . . 75 PRO HB3 . 11155 1 857 . 1 1 75 75 PRO HD2 H 1 3.687 0.030 . 2 . . . . 75 PRO HD2 . 11155 1 858 . 1 1 75 75 PRO HD3 H 1 3.633 0.030 . 2 . . . . 75 PRO HD3 . 11155 1 859 . 1 1 75 75 PRO HG2 H 1 2.056 0.030 . 2 . . . . 75 PRO HG2 . 11155 1 860 . 1 1 75 75 PRO HG3 H 1 1.985 0.030 . 2 . . . . 75 PRO HG3 . 11155 1 861 . 1 1 75 75 PRO C C 13 177.461 0.300 . 1 . . . . 75 PRO C . 11155 1 862 . 1 1 75 75 PRO CA C 13 63.236 0.300 . 1 . . . . 75 PRO CA . 11155 1 863 . 1 1 75 75 PRO CB C 13 32.740 0.300 . 1 . . . . 75 PRO CB . 11155 1 864 . 1 1 75 75 PRO CD C 13 49.962 0.300 . 1 . . . . 75 PRO CD . 11155 1 865 . 1 1 75 75 PRO CG C 13 27.074 0.300 . 1 . . . . 75 PRO CG . 11155 1 866 . 1 1 76 76 SER H H 1 7.959 0.030 . 1 . . . . 76 SER H . 11155 1 867 . 1 1 76 76 SER HA H 1 4.313 0.030 . 1 . . . . 76 SER HA . 11155 1 868 . 1 1 76 76 SER HB2 H 1 3.247 0.030 . 2 . . . . 76 SER HB2 . 11155 1 869 . 1 1 76 76 SER HB3 H 1 3.744 0.030 . 2 . . . . 76 SER HB3 . 11155 1 870 . 1 1 76 76 SER C C 13 174.715 0.300 . 1 . . . . 76 SER C . 11155 1 871 . 1 1 76 76 SER CA C 13 58.142 0.300 . 1 . . . . 76 SER CA . 11155 1 872 . 1 1 76 76 SER CB C 13 63.659 0.300 . 1 . . . . 76 SER CB . 11155 1 873 . 1 1 76 76 SER N N 15 115.179 0.300 . 1 . . . . 76 SER N . 11155 1 874 . 1 1 77 77 SER HA H 1 4.526 0.030 . 1 . . . . 77 SER HA . 11155 1 875 . 1 1 77 77 SER HB2 H 1 3.906 0.030 . 1 . . . . 77 SER HB2 . 11155 1 876 . 1 1 77 77 SER HB3 H 1 3.906 0.030 . 1 . . . . 77 SER HB3 . 11155 1 877 . 1 1 77 77 SER CA C 13 58.334 0.300 . 1 . . . . 77 SER CA . 11155 1 878 . 1 1 77 77 SER CB C 13 64.185 0.300 . 1 . . . . 77 SER CB . 11155 1 879 . 1 1 78 78 GLY H H 1 7.987 0.030 . 1 . . . . 78 GLY H . 11155 1 880 . 1 1 78 78 GLY HA2 H 1 3.764 0.030 . 1 . . . . 78 GLY HA2 . 11155 1 881 . 1 1 78 78 GLY HA3 H 1 3.764 0.030 . 1 . . . . 78 GLY HA3 . 11155 1 882 . 1 1 78 78 GLY CA C 13 46.249 0.300 . 1 . . . . 78 GLY CA . 11155 1 883 . 1 1 78 78 GLY N N 15 117.013 0.300 . 1 . . . . 78 GLY N . 11155 1 stop_ save_