data_15509 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15509 _Entry.Title ; NMR Solution Structure of PARC CPH Domain. NESG Target HR3443B/SGC-Toronto ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-04 _Entry.Accession_date 2007-10-04 _Entry.Last_release_date 2007-11-19 _Entry.Original_release_date 2007-11-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Lilia Kaustov . . . 15509 2 Jack Liao . C.C. . 15509 3 Sasha Lemak . . . 15509 4 Shili Duan . . . 15509 5 Ranjith Muhandiram . . . 15509 6 Murthy Karra . . . 15509 7 Sampath Srisailam . . . 15509 8 Martin Sundstrom . . . 15509 9 Johan Weigelt . . . 15509 10 Aled Edwards . . . 15509 11 Sirano Dhe-Paganon . . . 15509 12 Cheryl Arrowsmith . H. . 15509 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 . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15509 . 'PSI, Protein Structure Initiative' 'Structural Genomics Consortium' . 15509 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Structural Genomics Consortium - Toronto' . 15509 1 . 'Northeast Structural Genomics Consortium' . 15509 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CPH domain' . 15509 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15509 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 372 15509 '15N chemical shifts' 105 15509 '1H chemical shifts' 639 15509 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 . . 2007-11-19 2007-10-04 original author . 15509 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JUF 'BMRB Entry Tracking System' 15509 TargetDB HR3443B . 15509 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15509 _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 'NMR Solution Structure of PARC CPH Domain' _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 Lilia Kaustov . . . 15509 1 2 Jack Liao . C.C. . 15509 1 3 Sasha Lemak . . . 15509 1 4 Shili Duan . . . 15509 1 5 Ranjith Muhandiram . . . 15509 1 6 Murthy Karra . . . 15509 1 7 Sampath Srisailam . H. . 15509 1 8 Sirano Dhe-Paganon . . . 15509 1 9 Cheryl Arrowsmith . . . 15509 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15509 _Assembly.ID 1 _Assembly.Name 'CPH domain monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 entity 1 $PARC A . yes native no no . . . 15509 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PARC _Entity.Sf_category entity _Entity.Sf_framecode PARC _Entity.Entry_ID 15509 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PARC _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 ; GSHMRSEFSSRGGYGEYVQQ TLQPGMRVRMLDDYEEISAG DEGEFRQSNNGIPPVQVFWQ STGRTYWVHWHMLEILGPEE ATEDKASAAVEKGAGATVLG TAFPS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 represent a residual tag after His-tag cleavage' _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Sequence database residues 366-466' _Entity.Mutation S12G _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15094.872 _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 2JUF . "Nmr Solution Structure Of Parc Cph Domain. Nesg Target Hr3443bSGC-Toronto" . . . . . 100.00 105 100.00 100.00 1.87e-70 . . . . 15509 1 2 no DBJ BAI45256 . "cullin 9 [synthetic construct]" . . . . . 96.19 2517 99.01 99.01 2.06e-60 . . . . 15509 1 3 no EMBL CAC85756 . "putative E3 ubiquitin ligase [Homo sapiens]" . . . . . 96.19 2517 99.01 99.01 2.06e-60 . . . . 15509 1 4 no EMBL CAH18328 . "hypothetical protein [Homo sapiens]" . . . . . 96.19 2517 99.01 99.01 2.06e-60 . . . . 15509 1 5 no EMBL CAH18696 . "hypothetical protein [Homo sapiens]" . . . . . 96.19 2489 99.01 99.01 2.03e-60 . . . . 15509 1 6 no GB AAH28159 . "CUL9 protein, partial [Homo sapiens]" . . . . . 96.19 763 99.01 99.01 1.32e-61 . . . . 15509 1 7 no GB AAI48598 . "Cullin 9, partial [synthetic construct]" . . . . . 96.19 2517 99.01 99.01 2.06e-60 . . . . 15509 1 8 no GB AAN61516 . "p53-associated parkin-like cytoplasmic protein [Homo sapiens]" . . . . . 96.19 2517 99.01 99.01 2.06e-60 . . . . 15509 1 9 no GB EAX04163 . "p53-associated parkin-like cytoplasmic protein, isoform CRA_a [Homo sapiens]" . . . . . 96.19 2518 99.01 99.01 2.06e-60 . . . . 15509 1 10 no GB EAX04164 . "p53-associated parkin-like cytoplasmic protein, isoform CRA_b [Homo sapiens]" . . . . . 96.19 948 99.01 99.01 1.62e-61 . . . . 15509 1 11 no REF NP_055904 . "cullin-9 [Homo sapiens]" . . . . . 96.19 2517 99.01 99.01 2.06e-60 . . . . 15509 1 12 no REF XP_002746613 . "PREDICTED: cullin-9 isoform X3 [Callithrix jacchus]" . . . . . 96.19 2520 98.02 98.02 1.92e-59 . . . . 15509 1 13 no REF XP_002808431 . "PREDICTED: LOW QUALITY PROTEIN: cullin-9-like [Macaca mulatta]" . . . . . 96.19 2517 99.01 99.01 2.32e-60 . . . . 15509 1 14 no REF XP_003833312 . "PREDICTED: cullin-9 isoform X1 [Pan paniscus]" . . . . . 99.05 2517 97.12 97.12 9.16e-61 . . . . 15509 1 15 no REF XP_003897675 . "PREDICTED: LOW QUALITY PROTEIN: cullin-9 [Papio anubis]" . . . . . 96.19 2512 98.02 99.01 6.38e-60 . . . . 15509 1 16 no SP Q8IWT3 . "RecName: Full=Cullin-9; Short=CUL-9; AltName: Full=UbcH7-associated protein 1; AltName: Full=p53-associated parkin-like cytopla" . . . . . 96.19 2517 99.01 99.01 2.06e-60 . . . . 15509 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 . 15509 1 2 . SER . 15509 1 3 . HIS . 15509 1 4 . MET . 15509 1 5 . ARG . 15509 1 6 . SER . 15509 1 7 . GLU . 15509 1 8 . PHE . 15509 1 9 . SER . 15509 1 10 . SER . 15509 1 11 . ARG . 15509 1 12 . GLY . 15509 1 13 . GLY . 15509 1 14 . TYR . 15509 1 15 . GLY . 15509 1 16 . GLU . 15509 1 17 . TYR . 15509 1 18 . VAL . 15509 1 19 . GLN . 15509 1 20 . GLN . 15509 1 21 . THR . 15509 1 22 . LEU . 15509 1 23 . GLN . 15509 1 24 . PRO . 15509 1 25 . GLY . 15509 1 26 . MET . 15509 1 27 . ARG . 15509 1 28 . VAL . 15509 1 29 . ARG . 15509 1 30 . MET . 15509 1 31 . LEU . 15509 1 32 . ASP . 15509 1 33 . ASP . 15509 1 34 . TYR . 15509 1 35 . GLU . 15509 1 36 . GLU . 15509 1 37 . ILE . 15509 1 38 . SER . 15509 1 39 . ALA . 15509 1 40 . GLY . 15509 1 41 . ASP . 15509 1 42 . GLU . 15509 1 43 . GLY . 15509 1 44 . GLU . 15509 1 45 . PHE . 15509 1 46 . ARG . 15509 1 47 . GLN . 15509 1 48 . SER . 15509 1 49 . ASN . 15509 1 50 . ASN . 15509 1 51 . GLY . 15509 1 52 . ILE . 15509 1 53 . PRO . 15509 1 54 . PRO . 15509 1 55 . VAL . 15509 1 56 . GLN . 15509 1 57 . VAL . 15509 1 58 . PHE . 15509 1 59 . TRP . 15509 1 60 . GLN . 15509 1 61 . SER . 15509 1 62 . THR . 15509 1 63 . GLY . 15509 1 64 . ARG . 15509 1 65 . THR . 15509 1 66 . TYR . 15509 1 67 . TRP . 15509 1 68 . VAL . 15509 1 69 . HIS . 15509 1 70 . TRP . 15509 1 71 . HIS . 15509 1 72 . MET . 15509 1 73 . LEU . 15509 1 74 . GLU . 15509 1 75 . ILE . 15509 1 76 . LEU . 15509 1 77 . GLY . 15509 1 78 . PRO . 15509 1 79 . GLU . 15509 1 80 . GLU . 15509 1 81 . ALA . 15509 1 82 . THR . 15509 1 83 . GLU . 15509 1 84 . ASP . 15509 1 85 . LYS . 15509 1 86 . ALA . 15509 1 87 . SER . 15509 1 88 . ALA . 15509 1 89 . ALA . 15509 1 90 . VAL . 15509 1 91 . GLU . 15509 1 92 . LYS . 15509 1 93 . GLY . 15509 1 94 . ALA . 15509 1 95 . GLY . 15509 1 96 . ALA . 15509 1 97 . THR . 15509 1 98 . VAL . 15509 1 99 . LEU . 15509 1 100 . GLY . 15509 1 101 . THR . 15509 1 102 . ALA . 15509 1 103 . PHE . 15509 1 104 . PRO . 15509 1 105 . SER . 15509 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 15509 1 . SER 2 2 15509 1 . HIS 3 3 15509 1 . MET 4 4 15509 1 . ARG 5 5 15509 1 . SER 6 6 15509 1 . GLU 7 7 15509 1 . PHE 8 8 15509 1 . SER 9 9 15509 1 . SER 10 10 15509 1 . ARG 11 11 15509 1 . GLY 12 12 15509 1 . GLY 13 13 15509 1 . TYR 14 14 15509 1 . GLY 15 15 15509 1 . GLU 16 16 15509 1 . TYR 17 17 15509 1 . VAL 18 18 15509 1 . GLN 19 19 15509 1 . GLN 20 20 15509 1 . THR 21 21 15509 1 . LEU 22 22 15509 1 . GLN 23 23 15509 1 . PRO 24 24 15509 1 . GLY 25 25 15509 1 . MET 26 26 15509 1 . ARG 27 27 15509 1 . VAL 28 28 15509 1 . ARG 29 29 15509 1 . MET 30 30 15509 1 . LEU 31 31 15509 1 . ASP 32 32 15509 1 . ASP 33 33 15509 1 . TYR 34 34 15509 1 . GLU 35 35 15509 1 . GLU 36 36 15509 1 . ILE 37 37 15509 1 . SER 38 38 15509 1 . ALA 39 39 15509 1 . GLY 40 40 15509 1 . ASP 41 41 15509 1 . GLU 42 42 15509 1 . GLY 43 43 15509 1 . GLU 44 44 15509 1 . PHE 45 45 15509 1 . ARG 46 46 15509 1 . GLN 47 47 15509 1 . SER 48 48 15509 1 . ASN 49 49 15509 1 . ASN 50 50 15509 1 . GLY 51 51 15509 1 . ILE 52 52 15509 1 . PRO 53 53 15509 1 . PRO 54 54 15509 1 . VAL 55 55 15509 1 . GLN 56 56 15509 1 . VAL 57 57 15509 1 . PHE 58 58 15509 1 . TRP 59 59 15509 1 . GLN 60 60 15509 1 . SER 61 61 15509 1 . THR 62 62 15509 1 . GLY 63 63 15509 1 . ARG 64 64 15509 1 . THR 65 65 15509 1 . TYR 66 66 15509 1 . TRP 67 67 15509 1 . VAL 68 68 15509 1 . HIS 69 69 15509 1 . TRP 70 70 15509 1 . HIS 71 71 15509 1 . MET 72 72 15509 1 . LEU 73 73 15509 1 . GLU 74 74 15509 1 . ILE 75 75 15509 1 . LEU 76 76 15509 1 . GLY 77 77 15509 1 . PRO 78 78 15509 1 . GLU 79 79 15509 1 . GLU 80 80 15509 1 . ALA 81 81 15509 1 . THR 82 82 15509 1 . GLU 83 83 15509 1 . ASP 84 84 15509 1 . LYS 85 85 15509 1 . ALA 86 86 15509 1 . SER 87 87 15509 1 . ALA 88 88 15509 1 . ALA 89 89 15509 1 . VAL 90 90 15509 1 . GLU 91 91 15509 1 . LYS 92 92 15509 1 . GLY 93 93 15509 1 . ALA 94 94 15509 1 . GLY 95 95 15509 1 . ALA 96 96 15509 1 . THR 97 97 15509 1 . VAL 98 98 15509 1 . LEU 99 99 15509 1 . GLY 100 100 15509 1 . THR 101 101 15509 1 . ALA 102 102 15509 1 . PHE 103 103 15509 1 . PRO 104 104 15509 1 . SER 105 105 15509 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 15509 _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 $PARC . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15509 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 15509 _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 $PARC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 15509 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_PARC_sample _Sample.Sf_category sample _Sample.Sf_framecode PARC_sample _Sample.Entry_ID 15509 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS '[U-13C; U-15N]' . . 1 $PARC . . 25 . . mM . . . . 15509 1 2 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 15509 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15509 1 4 PMSF 'natural abundance' . . . . . . 0.5 . . mM . . . . 15509 1 5 Benzamidine 'natural abundance' . . . . . . 1 . . mM . . . . 15509 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15509 1 7 H2O 'natural abundance' . . . . . . 55 . . mM . . . . 15509 1 stop_ save_ ####################### # Sample conditions # ####################### save_PARC_cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode PARC_cond _Sample_condition_list.Entry_ID 15509 _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' 0.25 . M 15509 1 pH 7.4 . pH 15509 1 pressure 1 . atm 15509 1 temperature 298.15 . K 15509 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15509 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15509 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15509 1 Goddard . . 15509 1 'Guntert, Mumenthaler and Wuthrich' . . 15509 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15509 1 'peak picking' 15509 1 processing 15509 1 refinement 15509 1 'structure solution' 15509 1 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 15509 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15509 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15509 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15509 _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 . . . 15509 1 2 spectrometer_2 Bruker Avance . 600 . . . 15509 1 3 spectrometer_3 Varian INOVA . 500 . . . 15509 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 15509 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $PARC_sample isotropic . . 1 $PARC_cond . . . . . . . . . . . . . . . . . . . . . 15509 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $PARC_sample isotropic . . 1 $PARC_cond . . . . . . . . . . . . . . . . . . . . . 15509 1 3 '3D HNCACB' no . . . . . . . . . . 1 $PARC_sample isotropic . . 1 $PARC_cond . . . . . . . . . . . . . . . . . . . . . 15509 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $PARC_sample isotropic . . 1 $PARC_cond . . . . . . . . . . . . . . . . . . . . . 15509 1 5 '3D Cc(CO)NH-TOCSY' no . . . . . . . . . . 1 $PARC_sample isotropic . . 1 $PARC_cond . . . . . . . . . . . . . . . . . . . . . 15509 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $PARC_sample isotropic . . 1 $PARC_cond . . . . . . . . . . . . . . . . . . . . . 15509 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $PARC_sample isotropic . . 1 $PARC_cond . . . . . . . . . . . . . . . . . . . . . 15509 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $PARC_sample isotropic . . 1 $PARC_cond . . . . . . . . . . . . . . . . . . . . . 15509 1 9 '3D HNCO' no . . . . . . . . . . 1 $PARC_sample isotropic . . 1 $PARC_cond . . . . . . . . . . . . . . . . . . . . . 15509 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $PARC_sample isotropic . . 1 $PARC_cond . . . . . . . . . . . . . . . . . . . . . 15509 1 11 Hc(CO)NH-TOCSY no . . . . . . . . . . 1 $PARC_sample isotropic . . 1 $PARC_cond . . . . . . . . . . . . . . . . . . . . . 15509 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15509 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 acetate 'methyl carbon' . . . . ppm . . indirect 1.0 . . . . . . . . . 15509 1 H 1 water protons . . . . ppm . internal direct 1.0 . . . . . . . . . 15509 1 N 15 'ammonium chloride' nitrogen . . . . ppm . . indirect 1.0 . . . . . . . . . 15509 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15509 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $PARC_cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 3 '3D HNCACB' . . . 15509 1 4 '3D CBCA(CO)NH' . . . 15509 1 5 '3D Cc(CO)NH-TOCSY' . . . 15509 1 8 '3D HCCH-TOCSY' . . . 15509 1 9 '3D HNCO' . . . 15509 1 10 '3D HBHA(CO)NH' . . . 15509 1 11 Hc(CO)NH-TOCSY . . . 15509 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 $CYANA . . 15509 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 1 1 GLY HA2 H 1 3.69 0.03 . 2 . . . . 1 GLY HA2 . 15509 1 2 . 1 1 1 1 GLY HA3 H 1 4.49 0.03 . 2 . . . . 1 GLY HA3 . 15509 1 3 . 1 1 1 1 GLY CA C 13 44.5 0.3 . 1 . . . . 1 GLY CA . 15509 1 4 . 1 1 2 2 SER H H 1 8.00 0.03 . 1 . . . . 2 SER H . 15509 1 5 . 1 1 2 2 SER HA H 1 4.42 0.03 . 1 . . . . 2 SER HA . 15509 1 6 . 1 1 2 2 SER HB2 H 1 3.91 0.03 . 2 . . . . 2 SER HB2 . 15509 1 7 . 1 1 2 2 SER HB3 H 1 3.91 0.03 . 2 . . . . 2 SER HB3 . 15509 1 8 . 1 1 2 2 SER CA C 13 58.2 0.3 . 1 . . . . 2 SER CA . 15509 1 9 . 1 1 2 2 SER CB C 13 63.9 0.3 . 1 . . . . 2 SER CB . 15509 1 10 . 1 1 2 2 SER N N 15 119.6 0.3 . 1 . . . . 2 SER N . 15509 1 11 . 1 1 3 3 HIS HA H 1 4.77 0.03 . 1 . . . . 3 HIS HA . 15509 1 12 . 1 1 3 3 HIS HB2 H 1 3.27 0.03 . 2 . . . . 3 HIS HB2 . 15509 1 13 . 1 1 3 3 HIS HB3 H 1 3.27 0.03 . 2 . . . . 3 HIS HB3 . 15509 1 14 . 1 1 3 3 HIS C C 13 178.0 0.3 . 1 . . . . 3 HIS C . 15509 1 15 . 1 1 3 3 HIS CB C 13 30.6 0.3 . 1 . . . . 3 HIS CB . 15509 1 16 . 1 1 3 3 HIS N N 15 127.9 0.3 . 1 . . . . 3 HIS N . 15509 1 17 . 1 1 4 4 MET H H 1 7.55 0.03 . 1 . . . . 4 MET H . 15509 1 18 . 1 1 4 4 MET HA H 1 4.69 0.03 . 1 . . . . 4 MET HA . 15509 1 19 . 1 1 4 4 MET HB2 H 1 1.90 0.03 . 2 . . . . 4 MET HB2 . 15509 1 20 . 1 1 4 4 MET HB3 H 1 1.90 0.03 . 2 . . . . 4 MET HB3 . 15509 1 21 . 1 1 4 4 MET HE1 H 1 1.89 0.03 . 1 . . . . 4 MET HE . 15509 1 22 . 1 1 4 4 MET HE2 H 1 1.89 0.03 . 1 . . . . 4 MET HE . 15509 1 23 . 1 1 4 4 MET HE3 H 1 1.89 0.03 . 1 . . . . 4 MET HE . 15509 1 24 . 1 1 4 4 MET HG2 H 1 2.55 0.03 . 2 . . . . 4 MET HG2 . 15509 1 25 . 1 1 4 4 MET HG3 H 1 2.70 0.03 . 2 . . . . 4 MET HG3 . 15509 1 26 . 1 1 4 4 MET C C 13 176.4 0.3 . 1 . . . . 4 MET C . 15509 1 27 . 1 1 4 4 MET CA C 13 55.0 0.3 . 1 . . . . 4 MET CA . 15509 1 28 . 1 1 4 4 MET CE C 13 16.4 0.3 . 1 . . . . 4 MET CE . 15509 1 29 . 1 1 4 4 MET CG C 13 33.1 0.3 . 1 . . . . 4 MET CG . 15509 1 30 . 1 1 4 4 MET N N 15 119.0 0.3 . 1 . . . . 4 MET N . 15509 1 31 . 1 1 5 5 ARG H H 1 8.69 0.03 . 1 . . . . 5 ARG H . 15509 1 32 . 1 1 5 5 ARG HA H 1 4.62 0.03 . 1 . . . . 5 ARG HA . 15509 1 33 . 1 1 5 5 ARG HB2 H 1 0.74 0.03 . 2 . . . . 5 ARG HB2 . 15509 1 34 . 1 1 5 5 ARG HB3 H 1 1.59 0.03 . 2 . . . . 5 ARG HB3 . 15509 1 35 . 1 1 5 5 ARG HD2 H 1 3.03 0.03 . 2 . . . . 5 ARG HD2 . 15509 1 36 . 1 1 5 5 ARG HD3 H 1 3.40 0.03 . 2 . . . . 5 ARG HD3 . 15509 1 37 . 1 1 5 5 ARG HG2 H 1 0.95 0.03 . 2 . . . . 5 ARG HG2 . 15509 1 38 . 1 1 5 5 ARG HG3 H 1 1.21 0.03 . 2 . . . . 5 ARG HG3 . 15509 1 39 . 1 1 5 5 ARG C C 13 177.8 0.3 . 1 . . . . 5 ARG C . 15509 1 40 . 1 1 5 5 ARG CA C 13 60.2 0.3 . 1 . . . . 5 ARG CA . 15509 1 41 . 1 1 5 5 ARG CB C 13 30.4 0.3 . 1 . . . . 5 ARG CB . 15509 1 42 . 1 1 5 5 ARG CD C 13 44.5 0.3 . 1 . . . . 5 ARG CD . 15509 1 43 . 1 1 5 5 ARG CG C 13 25.8 0.3 . 1 . . . . 5 ARG CG . 15509 1 44 . 1 1 5 5 ARG N N 15 124.3 0.3 . 1 . . . . 5 ARG N . 15509 1 45 . 1 1 6 6 SER H H 1 8.11 0.03 . 1 . . . . 6 SER H . 15509 1 46 . 1 1 6 6 SER HA H 1 4.26 0.03 . 1 . . . . 6 SER HA . 15509 1 47 . 1 1 6 6 SER HB2 H 1 3.81 0.03 . 2 . . . . 6 SER HB2 . 15509 1 48 . 1 1 6 6 SER HB3 H 1 3.99 0.03 . 2 . . . . 6 SER HB3 . 15509 1 49 . 1 1 6 6 SER C C 13 174.9 0.3 . 1 . . . . 6 SER C . 15509 1 50 . 1 1 6 6 SER CA C 13 59.8 0.3 . 1 . . . . 6 SER CA . 15509 1 51 . 1 1 6 6 SER CB C 13 62.3 0.3 . 1 . . . . 6 SER CB . 15509 1 52 . 1 1 6 6 SER N N 15 111.5 0.3 . 1 . . . . 6 SER N . 15509 1 53 . 1 1 7 7 GLU H H 1 7.86 0.03 . 1 . . . . 7 GLU H . 15509 1 54 . 1 1 7 7 GLU HA H 1 4.31 0.03 . 1 . . . . 7 GLU HA . 15509 1 55 . 1 1 7 7 GLU HB2 H 1 1.97 0.03 . 2 . . . . 7 GLU HB2 . 15509 1 56 . 1 1 7 7 GLU HB3 H 1 2.07 0.03 . 2 . . . . 7 GLU HB3 . 15509 1 57 . 1 1 7 7 GLU HG2 H 1 2.29 0.03 . 2 . . . . 7 GLU HG2 . 15509 1 58 . 1 1 7 7 GLU HG3 H 1 2.29 0.03 . 2 . . . . 7 GLU HG3 . 15509 1 59 . 1 1 7 7 GLU C C 13 176.5 0.3 . 1 . . . . 7 GLU C . 15509 1 60 . 1 1 7 7 GLU CA C 13 56.5 0.3 . 1 . . . . 7 GLU CA . 15509 1 61 . 1 1 7 7 GLU CB C 13 30.3 0.3 . 1 . . . . 7 GLU CB . 15509 1 62 . 1 1 7 7 GLU CG C 13 36.3 0.3 . 1 . . . . 7 GLU CG . 15509 1 63 . 1 1 7 7 GLU N N 15 119.1 0.3 . 1 . . . . 7 GLU N . 15509 1 64 . 1 1 8 8 PHE H H 1 8.43 0.03 . 1 . . . . 8 PHE H . 15509 1 65 . 1 1 8 8 PHE N N 15 122.8 0.3 . 1 . . . . 8 PHE N . 15509 1 66 . 1 1 9 9 SER HA H 1 4.26 0.03 . 1 . . . . 9 SER HA . 15509 1 67 . 1 1 9 9 SER HB2 H 1 4.01 0.03 . 2 . . . . 9 SER HB2 . 15509 1 68 . 1 1 9 9 SER HB3 H 1 4.01 0.03 . 2 . . . . 9 SER HB3 . 15509 1 69 . 1 1 9 9 SER C C 13 174.3 0.3 . 1 . . . . 9 SER C . 15509 1 70 . 1 1 9 9 SER CA C 13 60.3 0.3 . 1 . . . . 9 SER CA . 15509 1 71 . 1 1 9 9 SER CB C 13 63.2 0.3 . 1 . . . . 9 SER CB . 15509 1 72 . 1 1 10 10 SER H H 1 7.84 0.03 . 1 . . . . 10 SER H . 15509 1 73 . 1 1 10 10 SER HA H 1 4.82 0.03 . 1 . . . . 10 SER HA . 15509 1 74 . 1 1 10 10 SER HB2 H 1 4.06 0.03 . 2 . . . . 10 SER HB2 . 15509 1 75 . 1 1 10 10 SER HB3 H 1 4.20 0.03 . 2 . . . . 10 SER HB3 . 15509 1 76 . 1 1 10 10 SER CA C 13 56.7 0.3 . 1 . . . . 10 SER CA . 15509 1 77 . 1 1 10 10 SER CB C 13 65.9 0.3 . 1 . . . . 10 SER CB . 15509 1 78 . 1 1 10 10 SER N N 15 112.6 0.3 . 1 . . . . 10 SER N . 15509 1 79 . 1 1 11 11 ARG HA H 1 4.17 0.03 . 1 . . . . 11 ARG HA . 15509 1 80 . 1 1 11 11 ARG HB2 H 1 1.55 0.03 . 2 . . . . 11 ARG HB2 . 15509 1 81 . 1 1 11 11 ARG HB3 H 1 1.80 0.03 . 2 . . . . 11 ARG HB3 . 15509 1 82 . 1 1 11 11 ARG HD2 H 1 2.96 0.03 . 2 . . . . 11 ARG HD2 . 15509 1 83 . 1 1 11 11 ARG HD3 H 1 2.95 0.03 . 2 . . . . 11 ARG HD3 . 15509 1 84 . 1 1 11 11 ARG HG2 H 1 1.63 0.03 . 2 . . . . 11 ARG HG2 . 15509 1 85 . 1 1 11 11 ARG HG3 H 1 1.63 0.03 . 2 . . . . 11 ARG HG3 . 15509 1 86 . 1 1 11 11 ARG C C 13 178.7 0.3 . 1 . . . . 11 ARG C . 15509 1 87 . 1 1 11 11 ARG CA C 13 58.8 0.3 . 1 . . . . 11 ARG CA . 15509 1 88 . 1 1 11 11 ARG CB C 13 29.9 0.3 . 1 . . . . 11 ARG CB . 15509 1 89 . 1 1 11 11 ARG CD C 13 43.2 0.3 . 1 . . . . 11 ARG CD . 15509 1 90 . 1 1 11 11 ARG CG C 13 27.6 0.3 . 1 . . . . 11 ARG CG . 15509 1 91 . 1 1 12 12 GLY H H 1 8.71 0.03 . 1 . . . . 12 GLY H . 15509 1 92 . 1 1 12 12 GLY HA2 H 1 4.31 0.03 . 2 . . . . 12 GLY HA2 . 15509 1 93 . 1 1 12 12 GLY HA3 H 1 3.94 0.03 . 2 . . . . 12 GLY HA3 . 15509 1 94 . 1 1 12 12 GLY C C 13 176.8 0.3 . 1 . . . . 12 GLY C . 15509 1 95 . 1 1 12 12 GLY N N 15 107.9 0.3 . 1 . . . . 12 GLY N . 15509 1 96 . 1 1 13 13 GLY H H 1 8.30 0.03 . 1 . . . . 13 GLY H . 15509 1 97 . 1 1 13 13 GLY HA2 H 1 3.97 0.03 . 2 . . . . 13 GLY HA2 . 15509 1 98 . 1 1 13 13 GLY HA3 H 1 4.15 0.03 . 2 . . . . 13 GLY HA3 . 15509 1 99 . 1 1 13 13 GLY C C 13 176.8 0.3 . 1 . . . . 13 GLY C . 15509 1 100 . 1 1 13 13 GLY CA C 13 46.8 0.3 . 1 . . . . 13 GLY CA . 15509 1 101 . 1 1 13 13 GLY N N 15 110.8 0.3 . 1 . . . . 13 GLY N . 15509 1 102 . 1 1 14 14 TYR H H 1 7.97 0.03 . 1 . . . . 14 TYR H . 15509 1 103 . 1 1 14 14 TYR HA H 1 3.51 0.03 . 1 . . . . 14 TYR HA . 15509 1 104 . 1 1 14 14 TYR HB2 H 1 2.83 0.03 . 2 . . . . 14 TYR HB2 . 15509 1 105 . 1 1 14 14 TYR HB3 H 1 3.01 0.03 . 2 . . . . 14 TYR HB3 . 15509 1 106 . 1 1 14 14 TYR HD1 H 1 6.78 0.03 . 3 . . . . 14 TYR HD1 . 15509 1 107 . 1 1 14 14 TYR HD2 H 1 6.78 0.03 . 3 . . . . 14 TYR HD2 . 15509 1 108 . 1 1 14 14 TYR HE1 H 1 6.81 0.03 . 3 . . . . 14 TYR HE1 . 15509 1 109 . 1 1 14 14 TYR HE2 H 1 6.81 0.03 . 3 . . . . 14 TYR HE2 . 15509 1 110 . 1 1 14 14 TYR C C 13 176.9 0.3 . 1 . . . . 14 TYR C . 15509 1 111 . 1 1 14 14 TYR CA C 13 61.3 0.3 . 1 . . . . 14 TYR CA . 15509 1 112 . 1 1 14 14 TYR CB C 13 38.0 0.3 . 1 . . . . 14 TYR CB . 15509 1 113 . 1 1 14 14 TYR CD1 C 13 133.0 0.3 . 1 . . . . 14 TYR CD1 . 15509 1 114 . 1 1 14 14 TYR CE1 C 13 118.7 0.3 . 1 . . . . 14 TYR CE1 . 15509 1 115 . 1 1 14 14 TYR N N 15 123.9 0.3 . 1 . . . . 14 TYR N . 15509 1 116 . 1 1 15 15 GLY H H 1 8.84 0.03 . 1 . . . . 15 GLY H . 15509 1 117 . 1 1 15 15 GLY HA2 H 1 3.37 0.03 . 2 . . . . 15 GLY HA2 . 15509 1 118 . 1 1 15 15 GLY HA3 H 1 4.18 0.03 . 2 . . . . 15 GLY HA3 . 15509 1 119 . 1 1 15 15 GLY C C 13 174.9 0.3 . 1 . . . . 15 GLY C . 15509 1 120 . 1 1 15 15 GLY CA C 13 47.1 0.3 . 1 . . . . 15 GLY CA . 15509 1 121 . 1 1 15 15 GLY N N 15 105.7 0.3 . 1 . . . . 15 GLY N . 15509 1 122 . 1 1 16 16 GLU H H 1 7.88 0.03 . 1 . . . . 16 GLU H . 15509 1 123 . 1 1 16 16 GLU HA H 1 3.79 0.03 . 1 . . . . 16 GLU HA . 15509 1 124 . 1 1 16 16 GLU HB2 H 1 1.99 0.03 . 2 . . . . 16 GLU HB2 . 15509 1 125 . 1 1 16 16 GLU HB3 H 1 2.13 0.03 . 2 . . . . 16 GLU HB3 . 15509 1 126 . 1 1 16 16 GLU HG2 H 1 2.38 0.03 . 2 . . . . 16 GLU HG2 . 15509 1 127 . 1 1 16 16 GLU HG3 H 1 2.38 0.03 . 2 . . . . 16 GLU HG3 . 15509 1 128 . 1 1 16 16 GLU C C 13 178.2 0.3 . 1 . . . . 16 GLU C . 15509 1 129 . 1 1 16 16 GLU CA C 13 59.3 0.3 . 1 . . . . 16 GLU CA . 15509 1 130 . 1 1 16 16 GLU CB C 13 29.4 0.3 . 1 . . . . 16 GLU CB . 15509 1 131 . 1 1 16 16 GLU CG C 13 36.6 0.3 . 1 . . . . 16 GLU CG . 15509 1 132 . 1 1 16 16 GLU N N 15 120.3 0.3 . 1 . . . . 16 GLU N . 15509 1 133 . 1 1 17 17 TYR H H 1 7.33 0.03 . 1 . . . . 17 TYR H . 15509 1 134 . 1 1 17 17 TYR HA H 1 4.19 0.03 . 1 . . . . 17 TYR HA . 15509 1 135 . 1 1 17 17 TYR HB2 H 1 3.00 0.03 . 2 . . . . 17 TYR HB2 . 15509 1 136 . 1 1 17 17 TYR HB3 H 1 3.29 0.03 . 2 . . . . 17 TYR HB3 . 15509 1 137 . 1 1 17 17 TYR HD1 H 1 6.87 0.03 . 3 . . . . 17 TYR HD1 . 15509 1 138 . 1 1 17 17 TYR HD2 H 1 6.87 0.03 . 3 . . . . 17 TYR HD2 . 15509 1 139 . 1 1 17 17 TYR HE1 H 1 6.84 0.03 . 3 . . . . 17 TYR HE1 . 15509 1 140 . 1 1 17 17 TYR HE2 H 1 6.84 0.03 . 3 . . . . 17 TYR HE2 . 15509 1 141 . 1 1 17 17 TYR C C 13 178.3 0.3 . 1 . . . . 17 TYR C . 15509 1 142 . 1 1 17 17 TYR CA C 13 60.8 0.3 . 1 . . . . 17 TYR CA . 15509 1 143 . 1 1 17 17 TYR CB C 13 37.6 0.3 . 1 . . . . 17 TYR CB . 15509 1 144 . 1 1 17 17 TYR CD1 C 13 133.2 0.3 . 1 . . . . 17 TYR CD1 . 15509 1 145 . 1 1 17 17 TYR CE1 C 13 118.2 0.3 . 1 . . . . 17 TYR CE1 . 15509 1 146 . 1 1 17 17 TYR N N 15 121.7 0.3 . 1 . . . . 17 TYR N . 15509 1 147 . 1 1 18 18 VAL H H 1 8.04 0.03 . 1 . . . . 18 VAL H . 15509 1 148 . 1 1 18 18 VAL HA H 1 2.88 0.03 . 1 . . . . 18 VAL HA . 15509 1 149 . 1 1 18 18 VAL HB H 1 1.94 0.03 . 1 . . . . 18 VAL HB . 15509 1 150 . 1 1 18 18 VAL HG11 H 1 0.57 0.03 . 2 . . . . 18 VAL HG1 . 15509 1 151 . 1 1 18 18 VAL HG12 H 1 0.57 0.03 . 2 . . . . 18 VAL HG1 . 15509 1 152 . 1 1 18 18 VAL HG13 H 1 0.57 0.03 . 2 . . . . 18 VAL HG1 . 15509 1 153 . 1 1 18 18 VAL HG21 H 1 1.08 0.03 . 2 . . . . 18 VAL HG2 . 15509 1 154 . 1 1 18 18 VAL HG22 H 1 1.08 0.03 . 2 . . . . 18 VAL HG2 . 15509 1 155 . 1 1 18 18 VAL HG23 H 1 1.08 0.03 . 2 . . . . 18 VAL HG2 . 15509 1 156 . 1 1 18 18 VAL C C 13 177.8 0.3 . 1 . . . . 18 VAL C . 15509 1 157 . 1 1 18 18 VAL CA C 13 67.3 0.3 . 1 . . . . 18 VAL CA . 15509 1 158 . 1 1 18 18 VAL CB C 13 31.9 0.3 . 1 . . . . 18 VAL CB . 15509 1 159 . 1 1 18 18 VAL CG2 C 13 22.4 0.3 . 1 . . . . 18 VAL CG2 . 15509 1 160 . 1 1 18 18 VAL N N 15 123.8 0.3 . 1 . . . . 18 VAL N . 15509 1 161 . 1 1 19 19 GLN H H 1 7.86 0.03 . 1 . . . . 19 GLN H . 15509 1 162 . 1 1 19 19 GLN HA H 1 3.80 0.03 . 1 . . . . 19 GLN HA . 15509 1 163 . 1 1 19 19 GLN HB2 H 1 0.07 0.03 . 2 . . . . 19 GLN HB2 . 15509 1 164 . 1 1 19 19 GLN HB3 H 1 1.34 0.03 . 2 . . . . 19 GLN HB3 . 15509 1 165 . 1 1 19 19 GLN HE21 H 1 6.86 0.03 . 2 . . . . 19 GLN HE21 . 15509 1 166 . 1 1 19 19 GLN HE22 H 1 7.36 0.03 . 2 . . . . 19 GLN HE22 . 15509 1 167 . 1 1 19 19 GLN HG2 H 1 2.45 0.03 . 2 . . . . 19 GLN HG2 . 15509 1 168 . 1 1 19 19 GLN HG3 H 1 2.45 0.03 . 2 . . . . 19 GLN HG3 . 15509 1 169 . 1 1 19 19 GLN C C 13 177.7 0.3 . 1 . . . . 19 GLN C . 15509 1 170 . 1 1 19 19 GLN CA C 13 58.1 0.3 . 1 . . . . 19 GLN CA . 15509 1 171 . 1 1 19 19 GLN CB C 13 26.7 0.3 . 1 . . . . 19 GLN CB . 15509 1 172 . 1 1 19 19 GLN CG C 13 32.5 0.3 . 1 . . . . 19 GLN CG . 15509 1 173 . 1 1 19 19 GLN N N 15 119.2 0.3 . 1 . . . . 19 GLN N . 15509 1 174 . 1 1 19 19 GLN NE2 N 15 112.7 0.3 . 1 . . . . 19 GLN NE2 . 15509 1 175 . 1 1 20 20 GLN H H 1 7.38 0.03 . 1 . . . . 20 GLN H . 15509 1 176 . 1 1 20 20 GLN HA H 1 3.91 0.03 . 1 . . . . 20 GLN HA . 15509 1 177 . 1 1 20 20 GLN HB2 H 1 1.99 0.03 . 2 . . . . 20 GLN HB2 . 15509 1 178 . 1 1 20 20 GLN HB3 H 1 2.11 0.03 . 2 . . . . 20 GLN HB3 . 15509 1 179 . 1 1 20 20 GLN HE21 H 1 6.64 0.03 . 2 . . . . 20 GLN HE21 . 15509 1 180 . 1 1 20 20 GLN HE22 H 1 6.93 0.03 . 2 . . . . 20 GLN HE22 . 15509 1 181 . 1 1 20 20 GLN HG2 H 1 2.38 0.03 . 2 . . . . 20 GLN HG2 . 15509 1 182 . 1 1 20 20 GLN HG3 H 1 2.38 0.03 . 2 . . . . 20 GLN HG3 . 15509 1 183 . 1 1 20 20 GLN C C 13 176.5 0.3 . 1 . . . . 20 GLN C . 15509 1 184 . 1 1 20 20 GLN CA C 13 56.8 0.3 . 1 . . . . 20 GLN CA . 15509 1 185 . 1 1 20 20 GLN CB C 13 28.9 0.3 . 1 . . . . 20 GLN CB . 15509 1 186 . 1 1 20 20 GLN CG C 13 33.8 0.3 . 1 . . . . 20 GLN CG . 15509 1 187 . 1 1 20 20 GLN N N 15 114.9 0.3 . 1 . . . . 20 GLN N . 15509 1 188 . 1 1 20 20 GLN NE2 N 15 109.7 0.3 . 1 . . . . 20 GLN NE2 . 15509 1 189 . 1 1 21 21 THR H H 1 7.26 0.03 . 1 . . . . 21 THR H . 15509 1 190 . 1 1 21 21 THR HA H 1 3.93 0.03 . 1 . . . . 21 THR HA . 15509 1 191 . 1 1 21 21 THR HB H 1 3.37 0.03 . 1 . . . . 21 THR HB . 15509 1 192 . 1 1 21 21 THR HG21 H 1 1.06 0.03 . 1 . . . . 21 THR HG2 . 15509 1 193 . 1 1 21 21 THR HG22 H 1 1.06 0.03 . 1 . . . . 21 THR HG2 . 15509 1 194 . 1 1 21 21 THR HG23 H 1 1.06 0.03 . 1 . . . . 21 THR HG2 . 15509 1 195 . 1 1 21 21 THR C C 13 174.7 0.3 . 1 . . . . 21 THR C . 15509 1 196 . 1 1 21 21 THR CA C 13 64.6 0.3 . 1 . . . . 21 THR CA . 15509 1 197 . 1 1 21 21 THR CB C 13 69.6 0.3 . 1 . . . . 21 THR CB . 15509 1 198 . 1 1 21 21 THR CG2 C 13 21.5 0.3 . 1 . . . . 21 THR CG2 . 15509 1 199 . 1 1 21 21 THR N N 15 115.2 0.3 . 1 . . . . 21 THR N . 15509 1 200 . 1 1 22 22 LEU H H 1 7.96 0.03 . 1 . . . . 22 LEU H . 15509 1 201 . 1 1 22 22 LEU HA H 1 4.05 0.03 . 1 . . . . 22 LEU HA . 15509 1 202 . 1 1 22 22 LEU HB2 H 1 1.25 0.03 . 2 . . . . 22 LEU HB2 . 15509 1 203 . 1 1 22 22 LEU HB3 H 1 1.25 0.03 . 2 . . . . 22 LEU HB3 . 15509 1 204 . 1 1 22 22 LEU HD11 H 1 0.49 0.03 . 2 . . . . 22 LEU HD1 . 15509 1 205 . 1 1 22 22 LEU HD12 H 1 0.49 0.03 . 2 . . . . 22 LEU HD1 . 15509 1 206 . 1 1 22 22 LEU HD13 H 1 0.49 0.03 . 2 . . . . 22 LEU HD1 . 15509 1 207 . 1 1 22 22 LEU HD21 H 1 0.39 0.03 . 2 . . . . 22 LEU HD2 . 15509 1 208 . 1 1 22 22 LEU HD22 H 1 0.39 0.03 . 2 . . . . 22 LEU HD2 . 15509 1 209 . 1 1 22 22 LEU HD23 H 1 0.39 0.03 . 2 . . . . 22 LEU HD2 . 15509 1 210 . 1 1 22 22 LEU C C 13 174.7 0.3 . 1 . . . . 22 LEU C . 15509 1 211 . 1 1 22 22 LEU CD1 C 13 25.7 0.3 . 1 . . . . 22 LEU CD1 . 15509 1 212 . 1 1 22 22 LEU CD2 C 13 25.2 0.3 . 1 . . . . 22 LEU CD2 . 15509 1 213 . 1 1 22 22 LEU N N 15 122.2 0.3 . 1 . . . . 22 LEU N . 15509 1 214 . 1 1 23 23 GLN H H 1 7.92 0.03 . 1 . . . . 23 GLN H . 15509 1 215 . 1 1 23 23 GLN HA H 1 5.04 0.03 . 1 . . . . 23 GLN HA . 15509 1 216 . 1 1 23 23 GLN HB2 H 1 1.74 0.03 . 2 . . . . 23 GLN HB2 . 15509 1 217 . 1 1 23 23 GLN HB3 H 1 2.30 0.03 . 2 . . . . 23 GLN HB3 . 15509 1 218 . 1 1 23 23 GLN HE21 H 1 6.82 0.03 . 2 . . . . 23 GLN HE21 . 15509 1 219 . 1 1 23 23 GLN HE22 H 1 7.37 0.03 . 2 . . . . 23 GLN HE22 . 15509 1 220 . 1 1 23 23 GLN HG2 H 1 2.46 0.03 . 2 . . . . 23 GLN HG2 . 15509 1 221 . 1 1 23 23 GLN HG3 H 1 2.49 0.03 . 2 . . . . 23 GLN HG3 . 15509 1 222 . 1 1 23 23 GLN CA C 13 52.3 0.3 . 1 . . . . 23 GLN CA . 15509 1 223 . 1 1 23 23 GLN CB C 13 30.3 0.3 . 1 . . . . 23 GLN CB . 15509 1 224 . 1 1 23 23 GLN CG C 13 32.8 0.3 . 1 . . . . 23 GLN CG . 15509 1 225 . 1 1 23 23 GLN N N 15 123.1 0.3 . 1 . . . . 23 GLN N . 15509 1 226 . 1 1 23 23 GLN NE2 N 15 111.4 0.3 . 1 . . . . 23 GLN NE2 . 15509 1 227 . 1 1 24 24 PRO HA H 1 3.96 0.03 . 1 . . . . 24 PRO HA . 15509 1 228 . 1 1 24 24 PRO HB2 H 1 1.86 0.03 . 2 . . . . 24 PRO HB2 . 15509 1 229 . 1 1 24 24 PRO HB3 H 1 2.22 0.03 . 2 . . . . 24 PRO HB3 . 15509 1 230 . 1 1 24 24 PRO HD2 H 1 3.77 0.03 . 2 . . . . 24 PRO HD2 . 15509 1 231 . 1 1 24 24 PRO HD3 H 1 4.12 0.03 . 2 . . . . 24 PRO HD3 . 15509 1 232 . 1 1 24 24 PRO HG2 H 1 2.24 0.03 . 2 . . . . 24 PRO HG2 . 15509 1 233 . 1 1 24 24 PRO HG3 H 1 2.24 0.03 . 2 . . . . 24 PRO HG3 . 15509 1 234 . 1 1 24 24 PRO CA C 13 64.7 0.3 . 1 . . . . 24 PRO CA . 15509 1 235 . 1 1 24 24 PRO CB C 13 31.9 0.3 . 1 . . . . 24 PRO CB . 15509 1 236 . 1 1 24 24 PRO CD C 13 51.0 0.3 . 1 . . . . 24 PRO CD . 15509 1 237 . 1 1 24 24 PRO CG C 13 27.9 0.3 . 1 . . . . 24 PRO CG . 15509 1 238 . 1 1 25 25 GLY H H 1 8.87 0.03 . 1 . . . . 25 GLY H . 15509 1 239 . 1 1 25 25 GLY HA2 H 1 3.69 0.03 . 2 . . . . 25 GLY HA2 . 15509 1 240 . 1 1 25 25 GLY HA3 H 1 4.49 0.03 . 2 . . . . 25 GLY HA3 . 15509 1 241 . 1 1 25 25 GLY CA C 13 44.8 0.3 . 1 . . . . 25 GLY CA . 15509 1 242 . 1 1 25 25 GLY N N 15 112.9 0.3 . 1 . . . . 25 GLY N . 15509 1 243 . 1 1 26 26 MET H H 1 8.01 0.03 . 1 . . . . 26 MET H . 15509 1 244 . 1 1 26 26 MET HA H 1 4.33 0.03 . 1 . . . . 26 MET HA . 15509 1 245 . 1 1 26 26 MET HB2 H 1 2.14 0.03 . 2 . . . . 26 MET HB2 . 15509 1 246 . 1 1 26 26 MET HB3 H 1 2.14 0.03 . 2 . . . . 26 MET HB3 . 15509 1 247 . 1 1 26 26 MET HE1 H 1 0.97 0.03 . 1 . . . . 26 MET HE . 15509 1 248 . 1 1 26 26 MET HE2 H 1 0.97 0.03 . 1 . . . . 26 MET HE . 15509 1 249 . 1 1 26 26 MET HE3 H 1 0.97 0.03 . 1 . . . . 26 MET HE . 15509 1 250 . 1 1 26 26 MET HG2 H 1 2.69 0.03 . 2 . . . . 26 MET HG2 . 15509 1 251 . 1 1 26 26 MET HG3 H 1 2.93 0.03 . 2 . . . . 26 MET HG3 . 15509 1 252 . 1 1 26 26 MET C C 13 175.1 0.3 . 1 . . . . 26 MET C . 15509 1 253 . 1 1 26 26 MET CA C 13 57.7 0.3 . 1 . . . . 26 MET CA . 15509 1 254 . 1 1 26 26 MET CB C 13 33.9 0.3 . 1 . . . . 26 MET CB . 15509 1 255 . 1 1 26 26 MET CG C 13 33.9 0.3 . 1 . . . . 26 MET CG . 15509 1 256 . 1 1 26 26 MET N N 15 119.4 0.3 . 1 . . . . 26 MET N . 15509 1 257 . 1 1 27 27 ARG H H 1 8.68 0.03 . 1 . . . . 27 ARG H . 15509 1 258 . 1 1 27 27 ARG HA H 1 5.09 0.03 . 1 . . . . 27 ARG HA . 15509 1 259 . 1 1 27 27 ARG HB2 H 1 1.91 0.03 . 2 . . . . 27 ARG HB2 . 15509 1 260 . 1 1 27 27 ARG HB3 H 1 1.93 0.03 . 2 . . . . 27 ARG HB3 . 15509 1 261 . 1 1 27 27 ARG HD2 H 1 3.29 0.03 . 2 . . . . 27 ARG HD2 . 15509 1 262 . 1 1 27 27 ARG HD3 H 1 3.35 0.03 . 2 . . . . 27 ARG HD3 . 15509 1 263 . 1 1 27 27 ARG HG2 H 1 1.67 0.03 . 2 . . . . 27 ARG HG2 . 15509 1 264 . 1 1 27 27 ARG HG3 H 1 1.93 0.03 . 2 . . . . 27 ARG HG3 . 15509 1 265 . 1 1 27 27 ARG C C 13 176.1 0.3 . 1 . . . . 27 ARG C . 15509 1 266 . 1 1 27 27 ARG CA C 13 55.6 0.3 . 1 . . . . 27 ARG CA . 15509 1 267 . 1 1 27 27 ARG CB C 13 31.6 0.3 . 1 . . . . 27 ARG CB . 15509 1 268 . 1 1 27 27 ARG CD C 13 43.3 0.3 . 1 . . . . 27 ARG CD . 15509 1 269 . 1 1 27 27 ARG CG C 13 28.1 0.3 . 1 . . . . 27 ARG CG . 15509 1 270 . 1 1 27 27 ARG N N 15 121.5 0.3 . 1 . . . . 27 ARG N . 15509 1 271 . 1 1 28 28 VAL H H 1 8.69 0.03 . 1 . . . . 28 VAL H . 15509 1 272 . 1 1 28 28 VAL HA H 1 5.51 0.03 . 1 . . . . 28 VAL HA . 15509 1 273 . 1 1 28 28 VAL HB H 1 2.10 0.03 . 1 . . . . 28 VAL HB . 15509 1 274 . 1 1 28 28 VAL HG11 H 1 0.38 0.03 . 2 . . . . 28 VAL HG1 . 15509 1 275 . 1 1 28 28 VAL HG12 H 1 0.38 0.03 . 2 . . . . 28 VAL HG1 . 15509 1 276 . 1 1 28 28 VAL HG13 H 1 0.38 0.03 . 2 . . . . 28 VAL HG1 . 15509 1 277 . 1 1 28 28 VAL HG21 H 1 0.82 0.03 . 2 . . . . 28 VAL HG2 . 15509 1 278 . 1 1 28 28 VAL HG22 H 1 0.82 0.03 . 2 . . . . 28 VAL HG2 . 15509 1 279 . 1 1 28 28 VAL HG23 H 1 0.82 0.03 . 2 . . . . 28 VAL HG2 . 15509 1 280 . 1 1 28 28 VAL C C 13 173.1 0.3 . 1 . . . . 28 VAL C . 15509 1 281 . 1 1 28 28 VAL CA C 13 57.8 0.3 . 1 . . . . 28 VAL CA . 15509 1 282 . 1 1 28 28 VAL CB C 13 36.6 0.3 . 1 . . . . 28 VAL CB . 15509 1 283 . 1 1 28 28 VAL CG1 C 13 18.9 0.3 . 1 . . . . 28 VAL CG1 . 15509 1 284 . 1 1 28 28 VAL CG2 C 13 23.6 0.3 . 1 . . . . 28 VAL CG2 . 15509 1 285 . 1 1 28 28 VAL N N 15 112.6 0.3 . 1 . . . . 28 VAL N . 15509 1 286 . 1 1 29 29 ARG H H 1 9.26 0.03 . 1 . . . . 29 ARG H . 15509 1 287 . 1 1 29 29 ARG HA H 1 5.52 0.03 . 1 . . . . 29 ARG HA . 15509 1 288 . 1 1 29 29 ARG HB2 H 1 1.81 0.03 . 2 . . . . 29 ARG HB2 . 15509 1 289 . 1 1 29 29 ARG HB3 H 1 1.94 0.03 . 2 . . . . 29 ARG HB3 . 15509 1 290 . 1 1 29 29 ARG HD2 H 1 3.38 0.03 . 2 . . . . 29 ARG HD2 . 15509 1 291 . 1 1 29 29 ARG HD3 H 1 3.38 0.03 . 2 . . . . 29 ARG HD3 . 15509 1 292 . 1 1 29 29 ARG HG2 H 1 1.65 0.03 . 2 . . . . 29 ARG HG2 . 15509 1 293 . 1 1 29 29 ARG HG3 H 1 1.65 0.03 . 2 . . . . 29 ARG HG3 . 15509 1 294 . 1 1 29 29 ARG C C 13 175.0 0.3 . 1 . . . . 29 ARG C . 15509 1 295 . 1 1 29 29 ARG CA C 13 53.5 0.3 . 1 . . . . 29 ARG CA . 15509 1 296 . 1 1 29 29 ARG CB C 13 35.1 0.3 . 1 . . . . 29 ARG CB . 15509 1 297 . 1 1 29 29 ARG CD C 13 43.7 0.3 . 1 . . . . 29 ARG CD . 15509 1 298 . 1 1 29 29 ARG CG C 13 27.1 0.3 . 1 . . . . 29 ARG CG . 15509 1 299 . 1 1 29 29 ARG N N 15 120.3 0.3 . 1 . . . . 29 ARG N . 15509 1 300 . 1 1 30 30 MET H H 1 9.37 0.03 . 1 . . . . 30 MET H . 15509 1 301 . 1 1 30 30 MET HA H 1 4.81 0.03 . 1 . . . . 30 MET HA . 15509 1 302 . 1 1 30 30 MET HB2 H 1 2.10 0.03 . 2 . . . . 30 MET HB2 . 15509 1 303 . 1 1 30 30 MET HB3 H 1 2.10 0.03 . 2 . . . . 30 MET HB3 . 15509 1 304 . 1 1 30 30 MET HG2 H 1 2.69 0.03 . 2 . . . . 30 MET HG2 . 15509 1 305 . 1 1 30 30 MET HG3 H 1 2.69 0.03 . 2 . . . . 30 MET HG3 . 15509 1 306 . 1 1 30 30 MET C C 13 178.1 0.3 . 1 . . . . 30 MET C . 15509 1 307 . 1 1 30 30 MET CA C 13 55.2 0.3 . 1 . . . . 30 MET CA . 15509 1 308 . 1 1 30 30 MET CB C 13 33.8 0.3 . 1 . . . . 30 MET CB . 15509 1 309 . 1 1 30 30 MET CG C 13 33.8 0.3 . 1 . . . . 30 MET CG . 15509 1 310 . 1 1 30 30 MET N N 15 126.0 0.3 . 1 . . . . 30 MET N . 15509 1 311 . 1 1 31 31 LEU H H 1 9.95 0.03 . 1 . . . . 31 LEU H . 15509 1 312 . 1 1 31 31 LEU HA H 1 4.43 0.03 . 1 . . . . 31 LEU HA . 15509 1 313 . 1 1 31 31 LEU HB2 H 1 1.70 0.03 . 2 . . . . 31 LEU HB2 . 15509 1 314 . 1 1 31 31 LEU HB3 H 1 1.70 0.03 . 2 . . . . 31 LEU HB3 . 15509 1 315 . 1 1 31 31 LEU HD11 H 1 0.75 0.03 . 2 . . . . 31 LEU HD1 . 15509 1 316 . 1 1 31 31 LEU HD12 H 1 0.75 0.03 . 2 . . . . 31 LEU HD1 . 15509 1 317 . 1 1 31 31 LEU HD13 H 1 0.75 0.03 . 2 . . . . 31 LEU HD1 . 15509 1 318 . 1 1 31 31 LEU HD21 H 1 0.88 0.03 . 2 . . . . 31 LEU HD2 . 15509 1 319 . 1 1 31 31 LEU HD22 H 1 0.88 0.03 . 2 . . . . 31 LEU HD2 . 15509 1 320 . 1 1 31 31 LEU HD23 H 1 0.88 0.03 . 2 . . . . 31 LEU HD2 . 15509 1 321 . 1 1 31 31 LEU HG H 1 1.39 0.03 . 1 . . . . 31 LEU HG . 15509 1 322 . 1 1 31 31 LEU CD1 C 13 25.3 0.3 . 1 . . . . 31 LEU CD1 . 15509 1 323 . 1 1 31 31 LEU CD2 C 13 23.4 0.3 . 1 . . . . 31 LEU CD2 . 15509 1 324 . 1 1 31 31 LEU N N 15 128.1 0.3 . 1 . . . . 31 LEU N . 15509 1 325 . 1 1 32 32 ASP H H 1 6.95 0.03 . 1 . . . . 32 ASP H . 15509 1 326 . 1 1 32 32 ASP HA H 1 5.12 0.03 . 1 . . . . 32 ASP HA . 15509 1 327 . 1 1 32 32 ASP HB2 H 1 2.24 0.03 . 2 . . . . 32 ASP HB2 . 15509 1 328 . 1 1 32 32 ASP HB3 H 1 2.83 0.03 . 2 . . . . 32 ASP HB3 . 15509 1 329 . 1 1 32 32 ASP C C 13 173.1 0.3 . 1 . . . . 32 ASP C . 15509 1 330 . 1 1 32 32 ASP CA C 13 52.3 0.3 . 1 . . . . 32 ASP CA . 15509 1 331 . 1 1 32 32 ASP CB C 13 45.7 0.3 . 1 . . . . 32 ASP CB . 15509 1 332 . 1 1 32 32 ASP N N 15 115.4 0.3 . 1 . . . . 32 ASP N . 15509 1 333 . 1 1 33 33 ASP H H 1 8.38 0.03 . 1 . . . . 33 ASP H . 15509 1 334 . 1 1 33 33 ASP HA H 1 4.68 0.03 . 1 . . . . 33 ASP HA . 15509 1 335 . 1 1 33 33 ASP HB2 H 1 2.64 0.03 . 2 . . . . 33 ASP HB2 . 15509 1 336 . 1 1 33 33 ASP HB3 H 1 2.73 0.03 . 2 . . . . 33 ASP HB3 . 15509 1 337 . 1 1 33 33 ASP C C 13 176.6 0.3 . 1 . . . . 33 ASP C . 15509 1 338 . 1 1 33 33 ASP CA C 13 54.6 0.3 . 1 . . . . 33 ASP CA . 15509 1 339 . 1 1 33 33 ASP CB C 13 41.1 0.3 . 1 . . . . 33 ASP CB . 15509 1 340 . 1 1 33 33 ASP N N 15 117.8 0.3 . 1 . . . . 33 ASP N . 15509 1 341 . 1 1 34 34 TYR H H 1 8.74 0.03 . 1 . . . . 34 TYR H . 15509 1 342 . 1 1 34 34 TYR HA H 1 4.53 0.03 . 1 . . . . 34 TYR HA . 15509 1 343 . 1 1 34 34 TYR HB2 H 1 2.64 0.03 . 2 . . . . 34 TYR HB2 . 15509 1 344 . 1 1 34 34 TYR HB3 H 1 2.91 0.03 . 2 . . . . 34 TYR HB3 . 15509 1 345 . 1 1 34 34 TYR HD1 H 1 7.18 0.03 . 3 . . . . 34 TYR HD1 . 15509 1 346 . 1 1 34 34 TYR HD2 H 1 7.18 0.03 . 3 . . . . 34 TYR HD2 . 15509 1 347 . 1 1 34 34 TYR HE1 H 1 7.12 0.03 . 3 . . . . 34 TYR HE1 . 15509 1 348 . 1 1 34 34 TYR HE2 H 1 7.12 0.03 . 3 . . . . 34 TYR HE2 . 15509 1 349 . 1 1 34 34 TYR C C 13 172.1 0.3 . 1 . . . . 34 TYR C . 15509 1 350 . 1 1 34 34 TYR CA C 13 58.0 0.3 . 1 . . . . 34 TYR CA . 15509 1 351 . 1 1 34 34 TYR CB C 13 40.7 0.3 . 1 . . . . 34 TYR CB . 15509 1 352 . 1 1 34 34 TYR CD1 C 13 133.5 0.3 . 1 . . . . 34 TYR CD1 . 15509 1 353 . 1 1 34 34 TYR CE1 C 13 118.6 0.3 . 1 . . . . 34 TYR CE1 . 15509 1 354 . 1 1 34 34 TYR N N 15 124.9 0.3 . 1 . . . . 34 TYR N . 15509 1 355 . 1 1 35 35 GLU H H 1 8.78 0.03 . 1 . . . . 35 GLU H . 15509 1 356 . 1 1 35 35 GLU HA H 1 3.37 0.03 . 1 . . . . 35 GLU HA . 15509 1 357 . 1 1 35 35 GLU HB2 H 1 1.79 0.03 . 2 . . . . 35 GLU HB2 . 15509 1 358 . 1 1 35 35 GLU HB3 H 1 1.79 0.03 . 2 . . . . 35 GLU HB3 . 15509 1 359 . 1 1 35 35 GLU HG2 H 1 1.43 0.03 . 2 . . . . 35 GLU HG2 . 15509 1 360 . 1 1 35 35 GLU HG3 H 1 1.72 0.03 . 2 . . . . 35 GLU HG3 . 15509 1 361 . 1 1 35 35 GLU C C 13 176.3 0.3 . 1 . . . . 35 GLU C . 15509 1 362 . 1 1 35 35 GLU CA C 13 57.7 0.3 . 1 . . . . 35 GLU CA . 15509 1 363 . 1 1 35 35 GLU CB C 13 26.2 0.3 . 1 . . . . 35 GLU CB . 15509 1 364 . 1 1 35 35 GLU CG C 13 35.6 0.3 . 1 . . . . 35 GLU CG . 15509 1 365 . 1 1 35 35 GLU N N 15 123.4 0.3 . 1 . . . . 35 GLU N . 15509 1 366 . 1 1 36 36 GLU H H 1 6.10 0.03 . 1 . . . . 36 GLU H . 15509 1 367 . 1 1 36 36 GLU HA H 1 3.98 0.03 . 1 . . . . 36 GLU HA . 15509 1 368 . 1 1 36 36 GLU HB2 H 1 1.17 0.03 . 2 . . . . 36 GLU HB2 . 15509 1 369 . 1 1 36 36 GLU HB3 H 1 1.83 0.03 . 2 . . . . 36 GLU HB3 . 15509 1 370 . 1 1 36 36 GLU HG2 H 1 1.76 0.03 . 2 . . . . 36 GLU HG2 . 15509 1 371 . 1 1 36 36 GLU HG3 H 1 1.92 0.03 . 2 . . . . 36 GLU HG3 . 15509 1 372 . 1 1 36 36 GLU C C 13 176.8 0.3 . 1 . . . . 36 GLU C . 15509 1 373 . 1 1 36 36 GLU CA C 13 56.8 0.3 . 1 . . . . 36 GLU CA . 15509 1 374 . 1 1 36 36 GLU CB C 13 30.2 0.3 . 1 . . . . 36 GLU CB . 15509 1 375 . 1 1 36 36 GLU CG C 13 36.3 0.3 . 1 . . . . 36 GLU CG . 15509 1 376 . 1 1 36 36 GLU N N 15 118.2 0.3 . 1 . . . . 36 GLU N . 15509 1 377 . 1 1 37 37 ILE H H 1 8.19 0.03 . 1 . . . . 37 ILE H . 15509 1 378 . 1 1 37 37 ILE HA H 1 3.70 0.03 . 1 . . . . 37 ILE HA . 15509 1 379 . 1 1 37 37 ILE HB H 1 1.76 0.03 . 1 . . . . 37 ILE HB . 15509 1 380 . 1 1 37 37 ILE HD11 H 1 -0.20 0.03 . 1 . . . . 37 ILE HD1 . 15509 1 381 . 1 1 37 37 ILE HD12 H 1 -0.20 0.03 . 1 . . . . 37 ILE HD1 . 15509 1 382 . 1 1 37 37 ILE HD13 H 1 -0.20 0.03 . 1 . . . . 37 ILE HD1 . 15509 1 383 . 1 1 37 37 ILE HG12 H 1 0.30 0.03 . 2 . . . . 37 ILE HG12 . 15509 1 384 . 1 1 37 37 ILE HG13 H 1 0.77 0.03 . 2 . . . . 37 ILE HG13 . 15509 1 385 . 1 1 37 37 ILE HG21 H 1 -0.13 0.03 . 1 . . . . 37 ILE HG2 . 15509 1 386 . 1 1 37 37 ILE HG22 H 1 -0.13 0.03 . 1 . . . . 37 ILE HG2 . 15509 1 387 . 1 1 37 37 ILE HG23 H 1 -0.13 0.03 . 1 . . . . 37 ILE HG2 . 15509 1 388 . 1 1 37 37 ILE C C 13 174.5 0.3 . 1 . . . . 37 ILE C . 15509 1 389 . 1 1 37 37 ILE CA C 13 58.5 0.3 . 1 . . . . 37 ILE CA . 15509 1 390 . 1 1 37 37 ILE CB C 13 36.0 0.3 . 1 . . . . 37 ILE CB . 15509 1 391 . 1 1 37 37 ILE CD1 C 13 8.9 0.3 . 1 . . . . 37 ILE CD1 . 15509 1 392 . 1 1 37 37 ILE CG1 C 13 26.6 0.3 . 1 . . . . 37 ILE CG1 . 15509 1 393 . 1 1 37 37 ILE CG2 C 13 16.8 0.3 . 1 . . . . 37 ILE CG2 . 15509 1 394 . 1 1 37 37 ILE N N 15 121.5 0.3 . 1 . . . . 37 ILE N . 15509 1 395 . 1 1 38 38 SER H H 1 8.16 0.03 . 1 . . . . 38 SER H . 15509 1 396 . 1 1 38 38 SER HA H 1 4.80 0.03 . 1 . . . . 38 SER HA . 15509 1 397 . 1 1 38 38 SER HB2 H 1 3.59 0.03 . 2 . . . . 38 SER HB2 . 15509 1 398 . 1 1 38 38 SER HB3 H 1 3.74 0.03 . 2 . . . . 38 SER HB3 . 15509 1 399 . 1 1 38 38 SER C C 13 175.7 0.3 . 1 . . . . 38 SER C . 15509 1 400 . 1 1 38 38 SER CA C 13 57.3 0.3 . 1 . . . . 38 SER CA . 15509 1 401 . 1 1 38 38 SER CB C 13 64.5 0.3 . 1 . . . . 38 SER CB . 15509 1 402 . 1 1 38 38 SER N N 15 124.3 0.3 . 1 . . . . 38 SER N . 15509 1 403 . 1 1 39 39 ALA H H 1 9.03 0.03 . 1 . . . . 39 ALA H . 15509 1 404 . 1 1 39 39 ALA HA H 1 3.46 0.03 . 1 . . . . 39 ALA HA . 15509 1 405 . 1 1 39 39 ALA HB1 H 1 1.11 0.03 . 1 . . . . 39 ALA HB . 15509 1 406 . 1 1 39 39 ALA HB2 H 1 1.11 0.03 . 1 . . . . 39 ALA HB . 15509 1 407 . 1 1 39 39 ALA HB3 H 1 1.11 0.03 . 1 . . . . 39 ALA HB . 15509 1 408 . 1 1 39 39 ALA C C 13 178.8 0.3 . 1 . . . . 39 ALA C . 15509 1 409 . 1 1 39 39 ALA CA C 13 53.5 0.3 . 1 . . . . 39 ALA CA . 15509 1 410 . 1 1 39 39 ALA CB C 13 17.4 0.3 . 1 . . . . 39 ALA CB . 15509 1 411 . 1 1 39 39 ALA N N 15 126.6 0.3 . 1 . . . . 39 ALA N . 15509 1 412 . 1 1 40 40 GLY H H 1 9.29 0.03 . 1 . . . . 40 GLY H . 15509 1 413 . 1 1 40 40 GLY HA2 H 1 3.47 0.03 . 2 . . . . 40 GLY HA2 . 15509 1 414 . 1 1 40 40 GLY HA3 H 1 4.56 0.03 . 2 . . . . 40 GLY HA3 . 15509 1 415 . 1 1 40 40 GLY C C 13 174.5 0.3 . 1 . . . . 40 GLY C . 15509 1 416 . 1 1 40 40 GLY CA C 13 44.7 0.3 . 1 . . . . 40 GLY CA . 15509 1 417 . 1 1 40 40 GLY N N 15 113.1 0.3 . 1 . . . . 40 GLY N . 15509 1 418 . 1 1 41 41 ASP H H 1 8.19 0.03 . 1 . . . . 41 ASP H . 15509 1 419 . 1 1 41 41 ASP HA H 1 4.66 0.03 . 1 . . . . 41 ASP HA . 15509 1 420 . 1 1 41 41 ASP HB2 H 1 2.72 0.03 . 2 . . . . 41 ASP HB2 . 15509 1 421 . 1 1 41 41 ASP HB3 H 1 2.72 0.03 . 2 . . . . 41 ASP HB3 . 15509 1 422 . 1 1 41 41 ASP C C 13 175.2 0.3 . 1 . . . . 41 ASP C . 15509 1 423 . 1 1 41 41 ASP CA C 13 55.5 0.3 . 1 . . . . 41 ASP CA . 15509 1 424 . 1 1 41 41 ASP CB C 13 41.1 0.3 . 1 . . . . 41 ASP CB . 15509 1 425 . 1 1 41 41 ASP N N 15 123.4 0.3 . 1 . . . . 41 ASP N . 15509 1 426 . 1 1 42 42 GLU H H 1 8.91 0.03 . 1 . . . . 42 GLU H . 15509 1 427 . 1 1 42 42 GLU HA H 1 5.76 0.03 . 1 . . . . 42 GLU HA . 15509 1 428 . 1 1 42 42 GLU HB2 H 1 2.04 0.03 . 2 . . . . 42 GLU HB2 . 15509 1 429 . 1 1 42 42 GLU HB3 H 1 2.19 0.03 . 2 . . . . 42 GLU HB3 . 15509 1 430 . 1 1 42 42 GLU HG2 H 1 2.65 0.03 . 2 . . . . 42 GLU HG2 . 15509 1 431 . 1 1 42 42 GLU HG3 H 1 2.27 0.03 . 2 . . . . 42 GLU HG3 . 15509 1 432 . 1 1 42 42 GLU C C 13 176.4 0.3 . 1 . . . . 42 GLU C . 15509 1 433 . 1 1 42 42 GLU CA C 13 54.6 0.3 . 1 . . . . 42 GLU CA . 15509 1 434 . 1 1 42 42 GLU CB C 13 33.5 0.3 . 1 . . . . 42 GLU CB . 15509 1 435 . 1 1 42 42 GLU CG C 13 37.2 0.3 . 1 . . . . 42 GLU CG . 15509 1 436 . 1 1 42 42 GLU N N 15 119.5 0.3 . 1 . . . . 42 GLU N . 15509 1 437 . 1 1 43 43 GLY H H 1 8.84 0.03 . 1 . . . . 43 GLY H . 15509 1 438 . 1 1 43 43 GLY HA2 H 1 3.33 0.03 . 2 . . . . 43 GLY HA2 . 15509 1 439 . 1 1 43 43 GLY HA3 H 1 4.61 0.03 . 2 . . . . 43 GLY HA3 . 15509 1 440 . 1 1 43 43 GLY C C 13 171.3 0.3 . 1 . . . . 43 GLY C . 15509 1 441 . 1 1 43 43 GLY CA C 13 46.0 0.3 . 1 . . . . 43 GLY CA . 15509 1 442 . 1 1 43 43 GLY N N 15 108.4 0.3 . 1 . . . . 43 GLY N . 15509 1 443 . 1 1 44 44 GLU H H 1 8.64 0.03 . 1 . . . . 44 GLU H . 15509 1 444 . 1 1 44 44 GLU HA H 1 4.92 0.03 . 1 . . . . 44 GLU HA . 15509 1 445 . 1 1 44 44 GLU HB2 H 1 1.91 0.03 . 2 . . . . 44 GLU HB2 . 15509 1 446 . 1 1 44 44 GLU HB3 H 1 2.10 0.03 . 2 . . . . 44 GLU HB3 . 15509 1 447 . 1 1 44 44 GLU HG2 H 1 2.10 0.03 . 2 . . . . 44 GLU HG2 . 15509 1 448 . 1 1 44 44 GLU HG3 H 1 2.10 0.03 . 2 . . . . 44 GLU HG3 . 15509 1 449 . 1 1 44 44 GLU C C 13 175.6 0.3 . 1 . . . . 44 GLU C . 15509 1 450 . 1 1 44 44 GLU CA C 13 53.9 0.3 . 1 . . . . 44 GLU CA . 15509 1 451 . 1 1 44 44 GLU CB C 13 33.9 0.3 . 1 . . . . 44 GLU CB . 15509 1 452 . 1 1 44 44 GLU CG C 13 36.8 0.3 . 1 . . . . 44 GLU CG . 15509 1 453 . 1 1 44 44 GLU N N 15 119.7 0.3 . 1 . . . . 44 GLU N . 15509 1 454 . 1 1 45 45 PHE H H 1 9.03 0.03 . 1 . . . . 45 PHE H . 15509 1 455 . 1 1 45 45 PHE HA H 1 4.25 0.03 . 1 . . . . 45 PHE HA . 15509 1 456 . 1 1 45 45 PHE HB2 H 1 2.83 0.03 . 2 . . . . 45 PHE HB2 . 15509 1 457 . 1 1 45 45 PHE HB3 H 1 2.94 0.03 . 2 . . . . 45 PHE HB3 . 15509 1 458 . 1 1 45 45 PHE HD1 H 1 6.85 0.03 . 3 . . . . 45 PHE HD1 . 15509 1 459 . 1 1 45 45 PHE HD2 H 1 6.85 0.03 . 3 . . . . 45 PHE HD2 . 15509 1 460 . 1 1 45 45 PHE C C 13 174.0 0.3 . 1 . . . . 45 PHE C . 15509 1 461 . 1 1 45 45 PHE CA C 13 58.2 0.3 . 1 . . . . 45 PHE CA . 15509 1 462 . 1 1 45 45 PHE CB C 13 39.5 0.3 . 1 . . . . 45 PHE CB . 15509 1 463 . 1 1 45 45 PHE CD1 C 13 131.6 0.3 . 1 . . . . 45 PHE CD1 . 15509 1 464 . 1 1 45 45 PHE N N 15 126.6 0.3 . 1 . . . . 45 PHE N . 15509 1 465 . 1 1 46 46 ARG H H 1 8.11 0.03 . 1 . . . . 46 ARG H . 15509 1 466 . 1 1 46 46 ARG HA H 1 4.22 0.03 . 1 . . . . 46 ARG HA . 15509 1 467 . 1 1 46 46 ARG HB2 H 1 1.35 0.03 . 2 . . . . 46 ARG HB2 . 15509 1 468 . 1 1 46 46 ARG HB3 H 1 1.35 0.03 . 2 . . . . 46 ARG HB3 . 15509 1 469 . 1 1 46 46 ARG HD2 H 1 2.88 0.03 . 2 . . . . 46 ARG HD2 . 15509 1 470 . 1 1 46 46 ARG HD3 H 1 3.00 0.03 . 2 . . . . 46 ARG HD3 . 15509 1 471 . 1 1 46 46 ARG HG2 H 1 1.37 0.03 . 2 . . . . 46 ARG HG2 . 15509 1 472 . 1 1 46 46 ARG HG3 H 1 1.37 0.03 . 2 . . . . 46 ARG HG3 . 15509 1 473 . 1 1 46 46 ARG C C 13 174.0 0.3 . 1 . . . . 46 ARG C . 15509 1 474 . 1 1 46 46 ARG CA C 13 55.7 0.3 . 1 . . . . 46 ARG CA . 15509 1 475 . 1 1 46 46 ARG CB C 13 32.1 0.3 . 1 . . . . 46 ARG CB . 15509 1 476 . 1 1 46 46 ARG CD C 13 42.1 0.3 . 1 . . . . 46 ARG CD . 15509 1 477 . 1 1 46 46 ARG CG C 13 25.9 0.3 . 1 . . . . 46 ARG CG . 15509 1 478 . 1 1 46 46 ARG N N 15 128.4 0.3 . 1 . . . . 46 ARG N . 15509 1 479 . 1 1 47 47 GLN H H 1 6.73 0.03 . 1 . . . . 47 GLN H . 15509 1 480 . 1 1 47 47 GLN HA H 1 4.32 0.03 . 1 . . . . 47 GLN HA . 15509 1 481 . 1 1 47 47 GLN HB2 H 1 2.07 0.03 . 2 . . . . 47 GLN HB2 . 15509 1 482 . 1 1 47 47 GLN HB3 H 1 2.07 0.03 . 2 . . . . 47 GLN HB3 . 15509 1 483 . 1 1 47 47 GLN HE21 H 1 6.96 0.03 . 2 . . . . 47 GLN HE21 . 15509 1 484 . 1 1 47 47 GLN HE22 H 1 7.23 0.03 . 2 . . . . 47 GLN HE22 . 15509 1 485 . 1 1 47 47 GLN HG2 H 1 1.65 0.03 . 2 . . . . 47 GLN HG2 . 15509 1 486 . 1 1 47 47 GLN HG3 H 1 1.65 0.03 . 2 . . . . 47 GLN HG3 . 15509 1 487 . 1 1 47 47 GLN C C 13 171.9 0.3 . 1 . . . . 47 GLN C . 15509 1 488 . 1 1 47 47 GLN CA C 13 54.7 0.3 . 1 . . . . 47 GLN CA . 15509 1 489 . 1 1 47 47 GLN CB C 13 31.4 0.3 . 1 . . . . 47 GLN CB . 15509 1 490 . 1 1 47 47 GLN CG C 13 31.8 0.3 . 1 . . . . 47 GLN CG . 15509 1 491 . 1 1 47 47 GLN N N 15 111.0 0.3 . 1 . . . . 47 GLN N . 15509 1 492 . 1 1 47 47 GLN NE2 N 15 111.9 0.3 . 1 . . . . 47 GLN NE2 . 15509 1 493 . 1 1 48 48 SER H H 1 8.97 0.03 . 1 . . . . 48 SER H . 15509 1 494 . 1 1 48 48 SER HA H 1 5.96 0.03 . 1 . . . . 48 SER HA . 15509 1 495 . 1 1 48 48 SER HB2 H 1 4.00 0.03 . 2 . . . . 48 SER HB2 . 15509 1 496 . 1 1 48 48 SER HB3 H 1 4.38 0.03 . 2 . . . . 48 SER HB3 . 15509 1 497 . 1 1 48 48 SER C C 13 173.6 0.3 . 1 . . . . 48 SER C . 15509 1 498 . 1 1 48 48 SER CA C 13 56.5 0.3 . 1 . . . . 48 SER CA . 15509 1 499 . 1 1 48 48 SER CB C 13 68.7 0.3 . 1 . . . . 48 SER CB . 15509 1 500 . 1 1 48 48 SER N N 15 114.7 0.3 . 1 . . . . 48 SER N . 15509 1 501 . 1 1 49 49 ASN H H 1 9.31 0.03 . 1 . . . . 49 ASN H . 15509 1 502 . 1 1 49 49 ASN HA H 1 4.99 0.03 . 1 . . . . 49 ASN HA . 15509 1 503 . 1 1 49 49 ASN HB2 H 1 3.06 0.03 . 2 . . . . 49 ASN HB2 . 15509 1 504 . 1 1 49 49 ASN HB3 H 1 3.26 0.03 . 2 . . . . 49 ASN HB3 . 15509 1 505 . 1 1 49 49 ASN HD21 H 1 6.05 0.03 . 2 . . . . 49 ASN HD21 . 15509 1 506 . 1 1 49 49 ASN HD22 H 1 7.51 0.03 . 2 . . . . 49 ASN HD22 . 15509 1 507 . 1 1 49 49 ASN CA C 13 52.3 0.3 . 1 . . . . 49 ASN CA . 15509 1 508 . 1 1 49 49 ASN CB C 13 39.4 0.3 . 1 . . . . 49 ASN CB . 15509 1 509 . 1 1 49 49 ASN N N 15 119.4 0.3 . 1 . . . . 49 ASN N . 15509 1 510 . 1 1 49 49 ASN ND2 N 15 112.5 0.3 . 1 . . . . 49 ASN ND2 . 15509 1 511 . 1 1 50 50 ASN HA H 1 5.13 0.03 . 1 . . . . 50 ASN HA . 15509 1 512 . 1 1 50 50 ASN HB2 H 1 2.84 0.03 . 2 . . . . 50 ASN HB2 . 15509 1 513 . 1 1 50 50 ASN HB3 H 1 3.03 0.03 . 2 . . . . 50 ASN HB3 . 15509 1 514 . 1 1 50 50 ASN HD21 H 1 6.99 0.03 . 2 . . . . 50 ASN HD21 . 15509 1 515 . 1 1 50 50 ASN HD22 H 1 7.66 0.03 . 2 . . . . 50 ASN HD22 . 15509 1 516 . 1 1 50 50 ASN C C 13 175.8 0.3 . 1 . . . . 50 ASN C . 15509 1 517 . 1 1 50 50 ASN CA C 13 53.0 0.3 . 1 . . . . 50 ASN CA . 15509 1 518 . 1 1 50 50 ASN CB C 13 38.1 0.3 . 1 . . . . 50 ASN CB . 15509 1 519 . 1 1 50 50 ASN ND2 N 15 112.8 0.3 . 1 . . . . 50 ASN ND2 . 15509 1 520 . 1 1 51 51 GLY H H 1 8.14 0.03 . 1 . . . . 51 GLY H . 15509 1 521 . 1 1 51 51 GLY HA2 H 1 3.48 0.03 . 2 . . . . 51 GLY HA2 . 15509 1 522 . 1 1 51 51 GLY HA3 H 1 4.14 0.03 . 2 . . . . 51 GLY HA3 . 15509 1 523 . 1 1 51 51 GLY C C 13 171.9 0.3 . 1 . . . . 51 GLY C . 15509 1 524 . 1 1 51 51 GLY CA C 13 43.8 0.3 . 1 . . . . 51 GLY CA . 15509 1 525 . 1 1 51 51 GLY N N 15 109.4 0.3 . 1 . . . . 51 GLY N . 15509 1 526 . 1 1 52 52 ILE H H 1 7.78 0.03 . 1 . . . . 52 ILE H . 15509 1 527 . 1 1 52 52 ILE HA H 1 4.25 0.03 . 1 . . . . 52 ILE HA . 15509 1 528 . 1 1 52 52 ILE HB H 1 1.75 0.03 . 1 . . . . 52 ILE HB . 15509 1 529 . 1 1 52 52 ILE HD11 H 1 0.95 0.03 . 1 . . . . 52 ILE HD1 . 15509 1 530 . 1 1 52 52 ILE HD12 H 1 0.95 0.03 . 1 . . . . 52 ILE HD1 . 15509 1 531 . 1 1 52 52 ILE HD13 H 1 0.95 0.03 . 1 . . . . 52 ILE HD1 . 15509 1 532 . 1 1 52 52 ILE HG12 H 1 1.53 0.03 . 2 . . . . 52 ILE HG12 . 15509 1 533 . 1 1 52 52 ILE HG13 H 1 1.14 0.03 . 2 . . . . 52 ILE HG13 . 15509 1 534 . 1 1 52 52 ILE HG21 H 1 0.95 0.03 . 1 . . . . 52 ILE HG2 . 15509 1 535 . 1 1 52 52 ILE HG22 H 1 0.95 0.03 . 1 . . . . 52 ILE HG2 . 15509 1 536 . 1 1 52 52 ILE HG23 H 1 0.95 0.03 . 1 . . . . 52 ILE HG2 . 15509 1 537 . 1 1 52 52 ILE CA C 13 56.4 0.3 . 1 . . . . 52 ILE CA . 15509 1 538 . 1 1 52 52 ILE CB C 13 40.8 0.3 . 1 . . . . 52 ILE CB . 15509 1 539 . 1 1 52 52 ILE CD1 C 13 12.8 0.3 . 1 . . . . 52 ILE CD1 . 15509 1 540 . 1 1 52 52 ILE CG1 C 13 27.0 0.3 . 1 . . . . 52 ILE CG1 . 15509 1 541 . 1 1 52 52 ILE CG2 C 13 17.4 0.3 . 1 . . . . 52 ILE CG2 . 15509 1 542 . 1 1 52 52 ILE N N 15 115.8 0.3 . 1 . . . . 52 ILE N . 15509 1 543 . 1 1 53 53 PRO HA H 1 4.33 0.03 . 1 . . . . 53 PRO HA . 15509 1 544 . 1 1 53 53 PRO HB2 H 1 0.94 0.03 . 2 . . . . 53 PRO HB2 . 15509 1 545 . 1 1 53 53 PRO HB3 H 1 1.34 0.03 . 2 . . . . 53 PRO HB3 . 15509 1 546 . 1 1 53 53 PRO HD2 H 1 3.07 0.03 . 2 . . . . 53 PRO HD2 . 15509 1 547 . 1 1 53 53 PRO HD3 H 1 3.79 0.03 . 2 . . . . 53 PRO HD3 . 15509 1 548 . 1 1 53 53 PRO HG2 H 1 1.58 0.03 . 2 . . . . 53 PRO HG2 . 15509 1 549 . 1 1 53 53 PRO HG3 H 1 2.03 0.03 . 2 . . . . 53 PRO HG3 . 15509 1 550 . 1 1 53 53 PRO CA C 13 61.2 0.3 . 1 . . . . 53 PRO CA . 15509 1 551 . 1 1 53 53 PRO CB C 13 32.0 0.3 . 1 . . . . 53 PRO CB . 15509 1 552 . 1 1 53 53 PRO CD C 13 50.1 0.3 . 1 . . . . 53 PRO CD . 15509 1 553 . 1 1 53 53 PRO CG C 13 27.0 0.3 . 1 . . . . 53 PRO CG . 15509 1 554 . 1 1 54 54 PRO HA H 1 4.58 0.03 . 1 . . . . 54 PRO HA . 15509 1 555 . 1 1 54 54 PRO HB2 H 1 2.13 0.03 . 2 . . . . 54 PRO HB2 . 15509 1 556 . 1 1 54 54 PRO HB3 H 1 2.80 0.03 . 2 . . . . 54 PRO HB3 . 15509 1 557 . 1 1 54 54 PRO HD2 H 1 3.37 0.03 . 2 . . . . 54 PRO HD2 . 15509 1 558 . 1 1 54 54 PRO HD3 H 1 3.66 0.03 . 2 . . . . 54 PRO HD3 . 15509 1 559 . 1 1 54 54 PRO HG2 H 1 2.45 0.03 . 2 . . . . 54 PRO HG2 . 15509 1 560 . 1 1 54 54 PRO HG3 H 1 2.45 0.03 . 2 . . . . 54 PRO HG3 . 15509 1 561 . 1 1 54 54 PRO C C 13 176.7 0.3 . 1 . . . . 54 PRO C . 15509 1 562 . 1 1 54 54 PRO CA C 13 65.7 0.3 . 1 . . . . 54 PRO CA . 15509 1 563 . 1 1 54 54 PRO CB C 13 34.1 0.3 . 1 . . . . 54 PRO CB . 15509 1 564 . 1 1 54 54 PRO CD C 13 51.3 0.3 . 1 . . . . 54 PRO CD . 15509 1 565 . 1 1 54 54 PRO CG C 13 27.8 0.3 . 1 . . . . 54 PRO CG . 15509 1 566 . 1 1 55 55 VAL H H 1 7.93 0.03 . 1 . . . . 55 VAL H . 15509 1 567 . 1 1 55 55 VAL HA H 1 3.76 0.03 . 1 . . . . 55 VAL HA . 15509 1 568 . 1 1 55 55 VAL HB H 1 1.50 0.03 . 1 . . . . 55 VAL HB . 15509 1 569 . 1 1 55 55 VAL HG11 H 1 -0.80 0.03 . 2 . . . . 55 VAL HG1 . 15509 1 570 . 1 1 55 55 VAL HG12 H 1 -0.80 0.03 . 2 . . . . 55 VAL HG1 . 15509 1 571 . 1 1 55 55 VAL HG13 H 1 -0.80 0.03 . 2 . . . . 55 VAL HG1 . 15509 1 572 . 1 1 55 55 VAL HG21 H 1 0.32 0.03 . 2 . . . . 55 VAL HG2 . 15509 1 573 . 1 1 55 55 VAL HG22 H 1 0.32 0.03 . 2 . . . . 55 VAL HG2 . 15509 1 574 . 1 1 55 55 VAL HG23 H 1 0.32 0.03 . 2 . . . . 55 VAL HG2 . 15509 1 575 . 1 1 55 55 VAL C C 13 173.8 0.3 . 1 . . . . 55 VAL C . 15509 1 576 . 1 1 55 55 VAL CA C 13 62.5 0.3 . 1 . . . . 55 VAL CA . 15509 1 577 . 1 1 55 55 VAL CB C 13 31.9 0.3 . 1 . . . . 55 VAL CB . 15509 1 578 . 1 1 55 55 VAL CG1 C 13 20.0 0.3 . 1 . . . . 55 VAL CG1 . 15509 1 579 . 1 1 55 55 VAL CG2 C 13 22.5 0.3 . 1 . . . . 55 VAL CG2 . 15509 1 580 . 1 1 55 55 VAL N N 15 117.0 0.3 . 1 . . . . 55 VAL N . 15509 1 581 . 1 1 56 56 GLN H H 1 8.83 0.03 . 1 . . . . 56 GLN H . 15509 1 582 . 1 1 56 56 GLN HA H 1 3.50 0.03 . 1 . . . . 56 GLN HA . 15509 1 583 . 1 1 56 56 GLN HB2 H 1 -1.14 0.03 . 2 . . . . 56 GLN HB2 . 15509 1 584 . 1 1 56 56 GLN HB3 H 1 1.35 0.03 . 2 . . . . 56 GLN HB3 . 15509 1 585 . 1 1 56 56 GLN HE21 H 1 6.56 0.03 . 2 . . . . 56 GLN HE21 . 15509 1 586 . 1 1 56 56 GLN HE22 H 1 7.25 0.03 . 2 . . . . 56 GLN HE22 . 15509 1 587 . 1 1 56 56 GLN HG2 H 1 0.44 0.03 . 2 . . . . 56 GLN HG2 . 15509 1 588 . 1 1 56 56 GLN HG3 H 1 1.03 0.03 . 2 . . . . 56 GLN HG3 . 15509 1 589 . 1 1 56 56 GLN C C 13 174.0 0.3 . 1 . . . . 56 GLN C . 15509 1 590 . 1 1 56 56 GLN CA C 13 55.5 0.3 . 1 . . . . 56 GLN CA . 15509 1 591 . 1 1 56 56 GLN CB C 13 27.9 0.3 . 1 . . . . 56 GLN CB . 15509 1 592 . 1 1 56 56 GLN CG C 13 35.1 0.3 . 1 . . . . 56 GLN CG . 15509 1 593 . 1 1 56 56 GLN N N 15 129.0 0.3 . 1 . . . . 56 GLN N . 15509 1 594 . 1 1 56 56 GLN NE2 N 15 113.0 0.3 . 1 . . . . 56 GLN NE2 . 15509 1 595 . 1 1 57 57 VAL H H 1 7.45 0.03 . 1 . . . . 57 VAL H . 15509 1 596 . 1 1 57 57 VAL HA H 1 4.22 0.03 . 1 . . . . 57 VAL HA . 15509 1 597 . 1 1 57 57 VAL HB H 1 1.16 0.03 . 1 . . . . 57 VAL HB . 15509 1 598 . 1 1 57 57 VAL HG11 H 1 -1.18 0.03 . 2 . . . . 57 VAL HG1 . 15509 1 599 . 1 1 57 57 VAL HG12 H 1 -1.18 0.03 . 2 . . . . 57 VAL HG1 . 15509 1 600 . 1 1 57 57 VAL HG13 H 1 -1.18 0.03 . 2 . . . . 57 VAL HG1 . 15509 1 601 . 1 1 57 57 VAL HG21 H 1 0.57 0.03 . 2 . . . . 57 VAL HG2 . 15509 1 602 . 1 1 57 57 VAL HG22 H 1 0.57 0.03 . 2 . . . . 57 VAL HG2 . 15509 1 603 . 1 1 57 57 VAL HG23 H 1 0.57 0.03 . 2 . . . . 57 VAL HG2 . 15509 1 604 . 1 1 57 57 VAL C C 13 173.5 0.3 . 1 . . . . 57 VAL C . 15509 1 605 . 1 1 57 57 VAL CA C 13 59.4 0.3 . 1 . . . . 57 VAL CA . 15509 1 606 . 1 1 57 57 VAL CB C 13 36.4 0.3 . 1 . . . . 57 VAL CB . 15509 1 607 . 1 1 57 57 VAL CG1 C 13 18.7 0.3 . 1 . . . . 57 VAL CG1 . 15509 1 608 . 1 1 57 57 VAL CG2 C 13 22.5 0.3 . 1 . . . . 57 VAL CG2 . 15509 1 609 . 1 1 57 57 VAL N N 15 129.4 0.3 . 1 . . . . 57 VAL N . 15509 1 610 . 1 1 58 58 PHE H H 1 8.45 0.03 . 1 . . . . 58 PHE H . 15509 1 611 . 1 1 58 58 PHE HA H 1 4.18 0.03 . 1 . . . . 58 PHE HA . 15509 1 612 . 1 1 58 58 PHE HB2 H 1 2.47 0.03 . 2 . . . . 58 PHE HB2 . 15509 1 613 . 1 1 58 58 PHE HB3 H 1 2.85 0.03 . 2 . . . . 58 PHE HB3 . 15509 1 614 . 1 1 58 58 PHE HD1 H 1 6.89 0.03 . 3 . . . . 58 PHE HD1 . 15509 1 615 . 1 1 58 58 PHE HD2 H 1 6.89 0.03 . 3 . . . . 58 PHE HD2 . 15509 1 616 . 1 1 58 58 PHE HE1 H 1 7.13 0.03 . 3 . . . . 58 PHE HE1 . 15509 1 617 . 1 1 58 58 PHE HE2 H 1 7.13 0.03 . 3 . . . . 58 PHE HE2 . 15509 1 618 . 1 1 58 58 PHE C C 13 173.6 0.3 . 1 . . . . 58 PHE C . 15509 1 619 . 1 1 58 58 PHE CA C 13 57.7 0.3 . 1 . . . . 58 PHE CA . 15509 1 620 . 1 1 58 58 PHE CB C 13 40.1 0.3 . 1 . . . . 58 PHE CB . 15509 1 621 . 1 1 58 58 PHE CD1 C 13 131.5 0.3 . 1 . . . . 58 PHE CD1 . 15509 1 622 . 1 1 58 58 PHE CE1 C 13 131.5 0.3 . 1 . . . . 58 PHE CE1 . 15509 1 623 . 1 1 58 58 PHE N N 15 125.3 0.3 . 1 . . . . 58 PHE N . 15509 1 624 . 1 1 59 59 TRP H H 1 7.86 0.03 . 1 . . . . 59 TRP H . 15509 1 625 . 1 1 59 59 TRP HA H 1 4.55 0.03 . 1 . . . . 59 TRP HA . 15509 1 626 . 1 1 59 59 TRP HB2 H 1 3.35 0.03 . 2 . . . . 59 TRP HB2 . 15509 1 627 . 1 1 59 59 TRP HB3 H 1 3.35 0.03 . 2 . . . . 59 TRP HB3 . 15509 1 628 . 1 1 59 59 TRP HD1 H 1 7.25 0.03 . 1 . . . . 59 TRP HD1 . 15509 1 629 . 1 1 59 59 TRP HE1 H 1 8.37 0.03 . 1 . . . . 59 TRP HE1 . 15509 1 630 . 1 1 59 59 TRP HH2 H 1 6.83 0.03 . 1 . . . . 59 TRP HH2 . 15509 1 631 . 1 1 59 59 TRP HZ2 H 1 7.07 0.03 . 1 . . . . 59 TRP HZ2 . 15509 1 632 . 1 1 59 59 TRP HZ3 H 1 7.37 0.03 . 1 . . . . 59 TRP HZ3 . 15509 1 633 . 1 1 59 59 TRP C C 13 175.9 0.3 . 1 . . . . 59 TRP C . 15509 1 634 . 1 1 59 59 TRP CA C 13 56.7 0.3 . 1 . . . . 59 TRP CA . 15509 1 635 . 1 1 59 59 TRP CB C 13 29.4 0.3 . 1 . . . . 59 TRP CB . 15509 1 636 . 1 1 59 59 TRP CD1 C 13 129.7 0.3 . 1 . . . . 59 TRP CD1 . 15509 1 637 . 1 1 59 59 TRP CH2 C 13 125.1 0.3 . 1 . . . . 59 TRP CH2 . 15509 1 638 . 1 1 59 59 TRP CZ2 C 13 113.6 0.3 . 1 . . . . 59 TRP CZ2 . 15509 1 639 . 1 1 59 59 TRP N N 15 131.7 0.3 . 1 . . . . 59 TRP N . 15509 1 640 . 1 1 59 59 TRP NE1 N 15 125.0 0.3 . 1 . . . . 59 TRP NE1 . 15509 1 641 . 1 1 60 60 GLN H H 1 9.25 0.03 . 1 . . . . 60 GLN H . 15509 1 642 . 1 1 60 60 GLN HA H 1 4.06 0.03 . 1 . . . . 60 GLN HA . 15509 1 643 . 1 1 60 60 GLN HB2 H 1 2.25 0.03 . 2 . . . . 60 GLN HB2 . 15509 1 644 . 1 1 60 60 GLN HB3 H 1 2.29 0.03 . 2 . . . . 60 GLN HB3 . 15509 1 645 . 1 1 60 60 GLN HE21 H 1 6.96 0.03 . 2 . . . . 60 GLN HE21 . 15509 1 646 . 1 1 60 60 GLN HE22 H 1 7.69 0.03 . 2 . . . . 60 GLN HE22 . 15509 1 647 . 1 1 60 60 GLN HG2 H 1 2.55 0.03 . 2 . . . . 60 GLN HG2 . 15509 1 648 . 1 1 60 60 GLN HG3 H 1 2.55 0.03 . 2 . . . . 60 GLN HG3 . 15509 1 649 . 1 1 60 60 GLN C C 13 178.3 0.3 . 1 . . . . 60 GLN C . 15509 1 650 . 1 1 60 60 GLN CA C 13 58.0 0.3 . 1 . . . . 60 GLN CA . 15509 1 651 . 1 1 60 60 GLN CB C 13 28.4 0.3 . 1 . . . . 60 GLN CB . 15509 1 652 . 1 1 60 60 GLN CG C 13 33.8 0.3 . 1 . . . . 60 GLN CG . 15509 1 653 . 1 1 60 60 GLN N N 15 123.0 0.3 . 1 . . . . 60 GLN N . 15509 1 654 . 1 1 60 60 GLN NE2 N 15 111.8 0.3 . 1 . . . . 60 GLN NE2 . 15509 1 655 . 1 1 61 61 SER H H 1 8.36 0.03 . 1 . . . . 61 SER H . 15509 1 656 . 1 1 61 61 SER HA H 1 4.25 0.03 . 1 . . . . 61 SER HA . 15509 1 657 . 1 1 61 61 SER HB2 H 1 3.95 0.03 . 2 . . . . 61 SER HB2 . 15509 1 658 . 1 1 61 61 SER HB3 H 1 4.03 0.03 . 2 . . . . 61 SER HB3 . 15509 1 659 . 1 1 61 61 SER C C 13 176.4 0.3 . 1 . . . . 61 SER C . 15509 1 660 . 1 1 61 61 SER CA C 13 59.7 0.3 . 1 . . . . 61 SER CA . 15509 1 661 . 1 1 61 61 SER CB C 13 62.6 0.3 . 1 . . . . 61 SER CB . 15509 1 662 . 1 1 61 61 SER N N 15 111.9 0.3 . 1 . . . . 61 SER N . 15509 1 663 . 1 1 62 62 THR H H 1 7.01 0.03 . 1 . . . . 62 THR H . 15509 1 664 . 1 1 62 62 THR HA H 1 4.39 0.03 . 1 . . . . 62 THR HA . 15509 1 665 . 1 1 62 62 THR HB H 1 4.17 0.03 . 1 . . . . 62 THR HB . 15509 1 666 . 1 1 62 62 THR HG21 H 1 1.08 0.03 . 1 . . . . 62 THR HG2 . 15509 1 667 . 1 1 62 62 THR HG22 H 1 1.08 0.03 . 1 . . . . 62 THR HG2 . 15509 1 668 . 1 1 62 62 THR HG23 H 1 1.08 0.03 . 1 . . . . 62 THR HG2 . 15509 1 669 . 1 1 62 62 THR C C 13 176.5 0.3 . 1 . . . . 62 THR C . 15509 1 670 . 1 1 62 62 THR CA C 13 61.0 0.3 . 1 . . . . 62 THR CA . 15509 1 671 . 1 1 62 62 THR CB C 13 69.8 0.3 . 1 . . . . 62 THR CB . 15509 1 672 . 1 1 62 62 THR CG2 C 13 22.1 0.3 . 1 . . . . 62 THR CG2 . 15509 1 673 . 1 1 62 62 THR N N 15 108.2 0.3 . 1 . . . . 62 THR N . 15509 1 674 . 1 1 63 63 GLY H H 1 8.18 0.03 . 1 . . . . 63 GLY H . 15509 1 675 . 1 1 63 63 GLY HA2 H 1 3.63 0.03 . 2 . . . . 63 GLY HA2 . 15509 1 676 . 1 1 63 63 GLY HA3 H 1 3.97 0.03 . 2 . . . . 63 GLY HA3 . 15509 1 677 . 1 1 63 63 GLY C C 13 173.4 0.3 . 1 . . . . 63 GLY C . 15509 1 678 . 1 1 63 63 GLY CA C 13 46.7 0.3 . 1 . . . . 63 GLY CA . 15509 1 679 . 1 1 63 63 GLY N N 15 112.1 0.3 . 1 . . . . 63 GLY N . 15509 1 680 . 1 1 64 64 ARG H H 1 7.68 0.03 . 1 . . . . 64 ARG H . 15509 1 681 . 1 1 64 64 ARG HA H 1 4.82 0.03 . 1 . . . . 64 ARG HA . 15509 1 682 . 1 1 64 64 ARG HB2 H 1 1.86 0.03 . 2 . . . . 64 ARG HB2 . 15509 1 683 . 1 1 64 64 ARG HB3 H 1 2.06 0.03 . 2 . . . . 64 ARG HB3 . 15509 1 684 . 1 1 64 64 ARG HD2 H 1 3.28 0.03 . 2 . . . . 64 ARG HD2 . 15509 1 685 . 1 1 64 64 ARG HD3 H 1 3.35 0.03 . 2 . . . . 64 ARG HD3 . 15509 1 686 . 1 1 64 64 ARG HG2 H 1 1.64 0.03 . 2 . . . . 64 ARG HG2 . 15509 1 687 . 1 1 64 64 ARG HG3 H 1 1.64 0.03 . 2 . . . . 64 ARG HG3 . 15509 1 688 . 1 1 64 64 ARG C C 13 175.4 0.3 . 1 . . . . 64 ARG C . 15509 1 689 . 1 1 64 64 ARG CA C 13 54.1 0.3 . 1 . . . . 64 ARG CA . 15509 1 690 . 1 1 64 64 ARG CB C 13 34.8 0.3 . 1 . . . . 64 ARG CB . 15509 1 691 . 1 1 64 64 ARG CD C 13 43.6 0.3 . 1 . . . . 64 ARG CD . 15509 1 692 . 1 1 64 64 ARG CG C 13 27.1 0.3 . 1 . . . . 64 ARG CG . 15509 1 693 . 1 1 64 64 ARG N N 15 117.1 0.3 . 1 . . . . 64 ARG N . 15509 1 694 . 1 1 65 65 THR H H 1 8.26 0.03 . 1 . . . . 65 THR H . 15509 1 695 . 1 1 65 65 THR HA H 1 5.54 0.03 . 1 . . . . 65 THR HA . 15509 1 696 . 1 1 65 65 THR HB H 1 3.78 0.03 . 1 . . . . 65 THR HB . 15509 1 697 . 1 1 65 65 THR HG21 H 1 1.12 0.03 . 1 . . . . 65 THR HG2 . 15509 1 698 . 1 1 65 65 THR HG22 H 1 1.12 0.03 . 1 . . . . 65 THR HG2 . 15509 1 699 . 1 1 65 65 THR HG23 H 1 1.12 0.03 . 1 . . . . 65 THR HG2 . 15509 1 700 . 1 1 65 65 THR C C 13 176.1 0.3 . 1 . . . . 65 THR C . 15509 1 701 . 1 1 65 65 THR CA C 13 60.2 0.3 . 1 . . . . 65 THR CA . 15509 1 702 . 1 1 65 65 THR CB C 13 71.1 0.3 . 1 . . . . 65 THR CB . 15509 1 703 . 1 1 65 65 THR CG2 C 13 22.3 0.3 . 1 . . . . 65 THR CG2 . 15509 1 704 . 1 1 65 65 THR N N 15 109.7 0.3 . 1 . . . . 65 THR N . 15509 1 705 . 1 1 66 66 TYR H H 1 8.88 0.03 . 1 . . . . 66 TYR H . 15509 1 706 . 1 1 66 66 TYR HA H 1 4.62 0.03 . 1 . . . . 66 TYR HA . 15509 1 707 . 1 1 66 66 TYR HB2 H 1 3.03 0.03 . 2 . . . . 66 TYR HB2 . 15509 1 708 . 1 1 66 66 TYR HB3 H 1 3.40 0.03 . 2 . . . . 66 TYR HB3 . 15509 1 709 . 1 1 66 66 TYR HD1 H 1 7.23 0.03 . 3 . . . . 66 TYR HD1 . 15509 1 710 . 1 1 66 66 TYR HD2 H 1 7.23 0.03 . 3 . . . . 66 TYR HD2 . 15509 1 711 . 1 1 66 66 TYR HE1 H 1 6.93 0.03 . 3 . . . . 66 TYR HE1 . 15509 1 712 . 1 1 66 66 TYR HE2 H 1 6.93 0.03 . 3 . . . . 66 TYR HE2 . 15509 1 713 . 1 1 66 66 TYR C C 13 175.1 0.3 . 1 . . . . 66 TYR C . 15509 1 714 . 1 1 66 66 TYR CA C 13 60.5 0.3 . 1 . . . . 66 TYR CA . 15509 1 715 . 1 1 66 66 TYR CB C 13 44.7 0.3 . 1 . . . . 66 TYR CB . 15509 1 716 . 1 1 66 66 TYR CD1 C 13 134.1 0.3 . 1 . . . . 66 TYR CD1 . 15509 1 717 . 1 1 66 66 TYR CE1 C 13 118.2 0.3 . 1 . . . . 66 TYR CE1 . 15509 1 718 . 1 1 66 66 TYR N N 15 121.7 0.3 . 1 . . . . 66 TYR N . 15509 1 719 . 1 1 67 67 TRP H H 1 8.18 0.03 . 1 . . . . 67 TRP H . 15509 1 720 . 1 1 67 67 TRP HA H 1 5.55 0.03 . 1 . . . . 67 TRP HA . 15509 1 721 . 1 1 67 67 TRP HB2 H 1 2.82 0.03 . 2 . . . . 67 TRP HB2 . 15509 1 722 . 1 1 67 67 TRP HB3 H 1 2.89 0.03 . 2 . . . . 67 TRP HB3 . 15509 1 723 . 1 1 67 67 TRP HD1 H 1 7.19 0.03 . 1 . . . . 67 TRP HD1 . 15509 1 724 . 1 1 67 67 TRP HE1 H 1 10.04 0.03 . 1 . . . . 67 TRP HE1 . 15509 1 725 . 1 1 67 67 TRP HH2 H 1 6.67 0.03 . 1 . . . . 67 TRP HH2 . 15509 1 726 . 1 1 67 67 TRP HZ2 H 1 7.14 0.03 . 1 . . . . 67 TRP HZ2 . 15509 1 727 . 1 1 67 67 TRP HZ3 H 1 7.19 0.03 . 1 . . . . 67 TRP HZ3 . 15509 1 728 . 1 1 67 67 TRP C C 13 176.2 0.3 . 1 . . . . 67 TRP C . 15509 1 729 . 1 1 67 67 TRP CA C 13 56.5 0.3 . 1 . . . . 67 TRP CA . 15509 1 730 . 1 1 67 67 TRP CB C 13 28.0 0.3 . 1 . . . . 67 TRP CB . 15509 1 731 . 1 1 67 67 TRP CD1 C 13 127.4 0.3 . 1 . . . . 67 TRP CD1 . 15509 1 732 . 1 1 67 67 TRP CH2 C 13 124.1 0.3 . 1 . . . . 67 TRP CH2 . 15509 1 733 . 1 1 67 67 TRP CZ2 C 13 113.7 0.3 . 1 . . . . 67 TRP CZ2 . 15509 1 734 . 1 1 67 67 TRP CZ3 C 13 122.9 0.3 . 1 . . . . 67 TRP CZ3 . 15509 1 735 . 1 1 67 67 TRP N N 15 128.6 0.3 . 1 . . . . 67 TRP N . 15509 1 736 . 1 1 67 67 TRP NE1 N 15 129.5 0.3 . 1 . . . . 67 TRP NE1 . 15509 1 737 . 1 1 68 68 VAL H H 1 9.67 0.03 . 1 . . . . 68 VAL H . 15509 1 738 . 1 1 68 68 VAL HA H 1 4.61 0.03 . 1 . . . . 68 VAL HA . 15509 1 739 . 1 1 68 68 VAL HB H 1 2.39 0.03 . 1 . . . . 68 VAL HB . 15509 1 740 . 1 1 68 68 VAL HG11 H 1 0.95 0.03 . 2 . . . . 68 VAL HG1 . 15509 1 741 . 1 1 68 68 VAL HG12 H 1 0.95 0.03 . 2 . . . . 68 VAL HG1 . 15509 1 742 . 1 1 68 68 VAL HG13 H 1 0.95 0.03 . 2 . . . . 68 VAL HG1 . 15509 1 743 . 1 1 68 68 VAL HG21 H 1 1.34 0.03 . 2 . . . . 68 VAL HG2 . 15509 1 744 . 1 1 68 68 VAL HG22 H 1 1.34 0.03 . 2 . . . . 68 VAL HG2 . 15509 1 745 . 1 1 68 68 VAL HG23 H 1 1.34 0.03 . 2 . . . . 68 VAL HG2 . 15509 1 746 . 1 1 68 68 VAL C C 13 173.2 0.3 . 1 . . . . 68 VAL C . 15509 1 747 . 1 1 68 68 VAL CA C 13 58.7 0.3 . 1 . . . . 68 VAL CA . 15509 1 748 . 1 1 68 68 VAL CB C 13 36.2 0.3 . 1 . . . . 68 VAL CB . 15509 1 749 . 1 1 68 68 VAL CG1 C 13 18.6 0.3 . 1 . . . . 68 VAL CG1 . 15509 1 750 . 1 1 68 68 VAL CG2 C 13 22.5 0.3 . 1 . . . . 68 VAL CG2 . 15509 1 751 . 1 1 68 68 VAL N N 15 113.0 0.3 . 1 . . . . 68 VAL N . 15509 1 752 . 1 1 69 69 HIS H H 1 6.89 0.03 . 1 . . . . 69 HIS H . 15509 1 753 . 1 1 69 69 HIS HA H 1 4.48 0.03 . 1 . . . . 69 HIS HA . 15509 1 754 . 1 1 69 69 HIS HB2 H 1 2.27 0.03 . 2 . . . . 69 HIS HB2 . 15509 1 755 . 1 1 69 69 HIS HB3 H 1 3.06 0.03 . 2 . . . . 69 HIS HB3 . 15509 1 756 . 1 1 69 69 HIS HD2 H 1 6.40 0.03 . 1 . . . . 69 HIS HD2 . 15509 1 757 . 1 1 69 69 HIS HE1 H 1 7.80 0.03 . 1 . . . . 69 HIS HE1 . 15509 1 758 . 1 1 69 69 HIS C C 13 176.4 0.3 . 1 . . . . 69 HIS C . 15509 1 759 . 1 1 69 69 HIS CA C 13 56.4 0.3 . 1 . . . . 69 HIS CA . 15509 1 760 . 1 1 69 69 HIS CB C 13 33.7 0.3 . 1 . . . . 69 HIS CB . 15509 1 761 . 1 1 69 69 HIS CD2 C 13 116.8 0.3 . 1 . . . . 69 HIS CD2 . 15509 1 762 . 1 1 69 69 HIS CE1 C 13 138.2 0.3 . 1 . . . . 69 HIS CE1 . 15509 1 763 . 1 1 69 69 HIS N N 15 116.9 0.3 . 1 . . . . 69 HIS N . 15509 1 764 . 1 1 70 70 TRP H H 1 7.65 0.03 . 1 . . . . 70 TRP H . 15509 1 765 . 1 1 70 70 TRP HA H 1 4.05 0.03 . 1 . . . . 70 TRP HA . 15509 1 766 . 1 1 70 70 TRP HB2 H 1 3.31 0.03 . 2 . . . . 70 TRP HB2 . 15509 1 767 . 1 1 70 70 TRP HB3 H 1 3.51 0.03 . 2 . . . . 70 TRP HB3 . 15509 1 768 . 1 1 70 70 TRP HD1 H 1 7.46 0.03 . 1 . . . . 70 TRP HD1 . 15509 1 769 . 1 1 70 70 TRP HE1 H 1 10.40 0.03 . 1 . . . . 70 TRP HE1 . 15509 1 770 . 1 1 70 70 TRP HE3 H 1 7.32 0.03 . 1 . . . . 70 TRP HE3 . 15509 1 771 . 1 1 70 70 TRP HH2 H 1 7.22 0.03 . 1 . . . . 70 TRP HH2 . 15509 1 772 . 1 1 70 70 TRP HZ2 H 1 7.60 0.03 . 1 . . . . 70 TRP HZ2 . 15509 1 773 . 1 1 70 70 TRP HZ3 H 1 6.51 0.03 . 1 . . . . 70 TRP HZ3 . 15509 1 774 . 1 1 70 70 TRP C C 13 177.3 0.3 . 1 . . . . 70 TRP C . 15509 1 775 . 1 1 70 70 TRP CA C 13 60.2 0.3 . 1 . . . . 70 TRP CA . 15509 1 776 . 1 1 70 70 TRP CB C 13 31.1 0.3 . 1 . . . . 70 TRP CB . 15509 1 777 . 1 1 70 70 TRP CD1 C 13 128.6 0.3 . 1 . . . . 70 TRP CD1 . 15509 1 778 . 1 1 70 70 TRP CE3 C 13 120.8 0.3 . 1 . . . . 70 TRP CE3 . 15509 1 779 . 1 1 70 70 TRP CH2 C 13 124.9 0.3 . 1 . . . . 70 TRP CH2 . 15509 1 780 . 1 1 70 70 TRP CZ2 C 13 114.8 0.3 . 1 . . . . 70 TRP CZ2 . 15509 1 781 . 1 1 70 70 TRP CZ3 C 13 122.6 0.3 . 1 . . . . 70 TRP CZ3 . 15509 1 782 . 1 1 70 70 TRP N N 15 119.4 0.3 . 1 . . . . 70 TRP N . 15509 1 783 . 1 1 70 70 TRP NE1 N 15 129.8 0.3 . 1 . . . . 70 TRP NE1 . 15509 1 784 . 1 1 71 71 HIS H H 1 7.95 0.03 . 1 . . . . 71 HIS H . 15509 1 785 . 1 1 71 71 HIS HA H 1 4.52 0.03 . 1 . . . . 71 HIS HA . 15509 1 786 . 1 1 71 71 HIS HB2 H 1 3.06 0.03 . 2 . . . . 71 HIS HB2 . 15509 1 787 . 1 1 71 71 HIS HB3 H 1 3.58 0.03 . 2 . . . . 71 HIS HB3 . 15509 1 788 . 1 1 71 71 HIS HD2 H 1 6.91 0.03 . 1 . . . . 71 HIS HD2 . 15509 1 789 . 1 1 71 71 HIS HE1 H 1 7.41 0.03 . 1 . . . . 71 HIS HE1 . 15509 1 790 . 1 1 71 71 HIS CA C 13 57.7 0.3 . 1 . . . . 71 HIS CA . 15509 1 791 . 1 1 71 71 HIS CB C 13 30.9 0.3 . 1 . . . . 71 HIS CB . 15509 1 792 . 1 1 71 71 HIS CD2 C 13 118.6 0.3 . 1 . . . . 71 HIS CD2 . 15509 1 793 . 1 1 71 71 HIS CE1 C 13 138.6 0.3 . 1 . . . . 71 HIS CE1 . 15509 1 794 . 1 1 71 71 HIS N N 15 106.2 0.3 . 1 . . . . 71 HIS N . 15509 1 795 . 1 1 72 72 MET H H 1 7.10 0.03 . 1 . . . . 72 MET H . 15509 1 796 . 1 1 72 72 MET HA H 1 4.28 0.03 . 1 . . . . 72 MET HA . 15509 1 797 . 1 1 72 72 MET HB2 H 1 1.75 0.03 . 2 . . . . 72 MET HB2 . 15509 1 798 . 1 1 72 72 MET HB3 H 1 2.83 0.03 . 2 . . . . 72 MET HB3 . 15509 1 799 . 1 1 72 72 MET HE1 H 1 1.81 0.03 . 1 . . . . 72 MET HE . 15509 1 800 . 1 1 72 72 MET HE2 H 1 1.81 0.03 . 1 . . . . 72 MET HE . 15509 1 801 . 1 1 72 72 MET HE3 H 1 1.81 0.03 . 1 . . . . 72 MET HE . 15509 1 802 . 1 1 72 72 MET HG2 H 1 1.62 0.03 . 2 . . . . 72 MET HG2 . 15509 1 803 . 1 1 72 72 MET HG3 H 1 2.78 0.03 . 2 . . . . 72 MET HG3 . 15509 1 804 . 1 1 72 72 MET CA C 13 56.7 0.3 . 1 . . . . 72 MET CA . 15509 1 805 . 1 1 72 72 MET CB C 13 32.6 0.3 . 1 . . . . 72 MET CB . 15509 1 806 . 1 1 72 72 MET CE C 13 19.2 0.3 . 1 . . . . 72 MET CE . 15509 1 807 . 1 1 72 72 MET CG C 13 33.6 0.3 . 1 . . . . 72 MET CG . 15509 1 808 . 1 1 72 72 MET N N 15 117.8 0.3 . 1 . . . . 72 MET N . 15509 1 809 . 1 1 73 73 LEU H H 1 8.85 0.03 . 1 . . . . 73 LEU H . 15509 1 810 . 1 1 73 73 LEU HA H 1 5.19 0.03 . 1 . . . . 73 LEU HA . 15509 1 811 . 1 1 73 73 LEU HD11 H 1 0.94 0.03 . 2 . . . . 73 LEU HD1 . 15509 1 812 . 1 1 73 73 LEU HD12 H 1 0.94 0.03 . 2 . . . . 73 LEU HD1 . 15509 1 813 . 1 1 73 73 LEU HD13 H 1 0.94 0.03 . 2 . . . . 73 LEU HD1 . 15509 1 814 . 1 1 73 73 LEU HD21 H 1 0.94 0.03 . 2 . . . . 73 LEU HD2 . 15509 1 815 . 1 1 73 73 LEU HD22 H 1 0.94 0.03 . 2 . . . . 73 LEU HD2 . 15509 1 816 . 1 1 73 73 LEU HD23 H 1 0.94 0.03 . 2 . . . . 73 LEU HD2 . 15509 1 817 . 1 1 73 73 LEU CD1 C 13 24.8 0.3 . 1 . . . . 73 LEU CD1 . 15509 1 818 . 1 1 74 74 GLU H H 1 9.48 0.03 . 1 . . . . 74 GLU H . 15509 1 819 . 1 1 74 74 GLU HA H 1 4.60 0.03 . 1 . . . . 74 GLU HA . 15509 1 820 . 1 1 74 74 GLU HB2 H 1 2.19 0.03 . 2 . . . . 74 GLU HB2 . 15509 1 821 . 1 1 74 74 GLU HB3 H 1 2.19 0.03 . 2 . . . . 74 GLU HB3 . 15509 1 822 . 1 1 74 74 GLU HG2 H 1 2.09 0.03 . 2 . . . . 74 GLU HG2 . 15509 1 823 . 1 1 74 74 GLU HG3 H 1 2.44 0.03 . 2 . . . . 74 GLU HG3 . 15509 1 824 . 1 1 74 74 GLU C C 13 175.1 0.3 . 1 . . . . 74 GLU C . 15509 1 825 . 1 1 74 74 GLU CA C 13 54.7 0.3 . 1 . . . . 74 GLU CA . 15509 1 826 . 1 1 74 74 GLU CB C 13 32.7 0.3 . 1 . . . . 74 GLU CB . 15509 1 827 . 1 1 74 74 GLU CG C 13 36.0 0.3 . 1 . . . . 74 GLU CG . 15509 1 828 . 1 1 74 74 GLU N N 15 123.0 0.3 . 1 . . . . 74 GLU N . 15509 1 829 . 1 1 75 75 ILE H H 1 9.35 0.03 . 1 . . . . 75 ILE H . 15509 1 830 . 1 1 75 75 ILE HA H 1 4.07 0.03 . 1 . . . . 75 ILE HA . 15509 1 831 . 1 1 75 75 ILE HB H 1 1.95 0.03 . 1 . . . . 75 ILE HB . 15509 1 832 . 1 1 75 75 ILE HD11 H 1 0.86 0.03 . 1 . . . . 75 ILE HD1 . 15509 1 833 . 1 1 75 75 ILE HD12 H 1 0.86 0.03 . 1 . . . . 75 ILE HD1 . 15509 1 834 . 1 1 75 75 ILE HD13 H 1 0.86 0.03 . 1 . . . . 75 ILE HD1 . 15509 1 835 . 1 1 75 75 ILE HG12 H 1 1.80 0.03 . 2 . . . . 75 ILE HG12 . 15509 1 836 . 1 1 75 75 ILE HG13 H 1 0.85 0.03 . 2 . . . . 75 ILE HG13 . 15509 1 837 . 1 1 75 75 ILE HG21 H 1 0.99 0.03 . 1 . . . . 75 ILE HG2 . 15509 1 838 . 1 1 75 75 ILE HG22 H 1 0.99 0.03 . 1 . . . . 75 ILE HG2 . 15509 1 839 . 1 1 75 75 ILE HG23 H 1 0.99 0.03 . 1 . . . . 75 ILE HG2 . 15509 1 840 . 1 1 75 75 ILE CA C 13 63.1 0.3 . 1 . . . . 75 ILE CA . 15509 1 841 . 1 1 75 75 ILE CB C 13 38.3 0.3 . 1 . . . . 75 ILE CB . 15509 1 842 . 1 1 75 75 ILE CD1 C 13 14.5 0.3 . 1 . . . . 75 ILE CD1 . 15509 1 843 . 1 1 75 75 ILE CG1 C 13 27.9 0.3 . 1 . . . . 75 ILE CG1 . 15509 1 844 . 1 1 75 75 ILE CG2 C 13 18.1 0.3 . 1 . . . . 75 ILE CG2 . 15509 1 845 . 1 1 75 75 ILE N N 15 127.4 0.3 . 1 . . . . 75 ILE N . 15509 1 846 . 1 1 76 76 LEU H H 1 8.38 0.03 . 1 . . . . 76 LEU H . 15509 1 847 . 1 1 76 76 LEU HA H 1 4.03 0.03 . 1 . . . . 76 LEU HA . 15509 1 848 . 1 1 76 76 LEU HB2 H 1 1.67 0.03 . 2 . . . . 76 LEU HB2 . 15509 1 849 . 1 1 76 76 LEU HB3 H 1 1.93 0.03 . 2 . . . . 76 LEU HB3 . 15509 1 850 . 1 1 76 76 LEU HD11 H 1 0.94 0.03 . 2 . . . . 76 LEU HD1 . 15509 1 851 . 1 1 76 76 LEU HD12 H 1 0.94 0.03 . 2 . . . . 76 LEU HD1 . 15509 1 852 . 1 1 76 76 LEU HD13 H 1 0.94 0.03 . 2 . . . . 76 LEU HD1 . 15509 1 853 . 1 1 76 76 LEU CD1 C 13 25.7 0.3 . 1 . . . . 76 LEU CD1 . 15509 1 854 . 1 1 76 76 LEU N N 15 129.3 0.3 . 1 . . . . 76 LEU N . 15509 1 855 . 1 1 77 77 GLY H H 1 8.42 0.03 . 1 . . . . 77 GLY H . 15509 1 856 . 1 1 77 77 GLY HA2 H 1 4.12 0.03 . 2 . . . . 77 GLY HA2 . 15509 1 857 . 1 1 77 77 GLY HA3 H 1 4.31 0.03 . 2 . . . . 77 GLY HA3 . 15509 1 858 . 1 1 77 77 GLY C C 13 174.7 0.3 . 1 . . . . 77 GLY C . 15509 1 859 . 1 1 77 77 GLY CA C 13 44.4 0.3 . 1 . . . . 77 GLY CA . 15509 1 860 . 1 1 77 77 GLY N N 15 109.1 0.3 . 1 . . . . 77 GLY N . 15509 1 861 . 1 1 78 78 PRO HA H 1 4.52 0.03 . 1 . . . . 78 PRO HA . 15509 1 862 . 1 1 78 78 PRO HB2 H 1 2.04 0.03 . 2 . . . . 78 PRO HB2 . 15509 1 863 . 1 1 78 78 PRO HB3 H 1 2.33 0.03 . 2 . . . . 78 PRO HB3 . 15509 1 864 . 1 1 78 78 PRO HD2 H 1 3.70 0.03 . 2 . . . . 78 PRO HD2 . 15509 1 865 . 1 1 78 78 PRO HD3 H 1 3.70 0.03 . 2 . . . . 78 PRO HD3 . 15509 1 866 . 1 1 78 78 PRO HG2 H 1 2.30 0.03 . 2 . . . . 78 PRO HG2 . 15509 1 867 . 1 1 78 78 PRO HG3 H 1 2.30 0.03 . 2 . . . . 78 PRO HG3 . 15509 1 868 . 1 1 78 78 PRO C C 13 176.1 0.3 . 1 . . . . 78 PRO C . 15509 1 869 . 1 1 78 78 PRO CA C 13 63.3 0.3 . 1 . . . . 78 PRO CA . 15509 1 870 . 1 1 78 78 PRO CB C 13 32.1 0.3 . 1 . . . . 78 PRO CB . 15509 1 871 . 1 1 78 78 PRO CD C 13 49.8 0.3 . 1 . . . . 78 PRO CD . 15509 1 872 . 1 1 79 79 GLU H H 1 8.75 0.03 . 1 . . . . 79 GLU H . 15509 1 873 . 1 1 79 79 GLU HA H 1 4.31 0.03 . 1 . . . . 79 GLU HA . 15509 1 874 . 1 1 79 79 GLU HB2 H 1 1.97 0.03 . 2 . . . . 79 GLU HB2 . 15509 1 875 . 1 1 79 79 GLU HB3 H 1 2.07 0.03 . 2 . . . . 79 GLU HB3 . 15509 1 876 . 1 1 79 79 GLU HG2 H 1 2.29 0.03 . 2 . . . . 79 GLU HG2 . 15509 1 877 . 1 1 79 79 GLU HG3 H 1 2.29 0.03 . 2 . . . . 79 GLU HG3 . 15509 1 878 . 1 1 79 79 GLU C C 13 176.3 0.3 . 1 . . . . 79 GLU C . 15509 1 879 . 1 1 79 79 GLU CA C 13 56.9 0.3 . 1 . . . . 79 GLU CA . 15509 1 880 . 1 1 79 79 GLU CB C 13 30.5 0.3 . 1 . . . . 79 GLU CB . 15509 1 881 . 1 1 79 79 GLU CG C 13 36.5 0.3 . 1 . . . . 79 GLU CG . 15509 1 882 . 1 1 79 79 GLU N N 15 121.2 0.3 . 1 . . . . 79 GLU N . 15509 1 883 . 1 1 80 80 GLU H H 1 8.64 0.03 . 1 . . . . 80 GLU H . 15509 1 884 . 1 1 80 80 GLU HA H 1 4.31 0.03 . 1 . . . . 80 GLU HA . 15509 1 885 . 1 1 80 80 GLU HB2 H 1 1.97 0.03 . 2 . . . . 80 GLU HB2 . 15509 1 886 . 1 1 80 80 GLU HB3 H 1 2.06 0.03 . 2 . . . . 80 GLU HB3 . 15509 1 887 . 1 1 80 80 GLU HG2 H 1 2.28 0.03 . 2 . . . . 80 GLU HG2 . 15509 1 888 . 1 1 80 80 GLU HG3 H 1 2.28 0.03 . 2 . . . . 80 GLU HG3 . 15509 1 889 . 1 1 80 80 GLU C C 13 176.1 0.3 . 1 . . . . 80 GLU C . 15509 1 890 . 1 1 80 80 GLU CA C 13 56.6 0.3 . 1 . . . . 80 GLU CA . 15509 1 891 . 1 1 80 80 GLU CB C 13 30.7 0.3 . 1 . . . . 80 GLU CB . 15509 1 892 . 1 1 80 80 GLU CG C 13 36.3 0.3 . 1 . . . . 80 GLU CG . 15509 1 893 . 1 1 80 80 GLU N N 15 122.6 0.3 . 1 . . . . 80 GLU N . 15509 1 894 . 1 1 81 81 ALA H H 1 8.46 0.03 . 1 . . . . 81 ALA H . 15509 1 895 . 1 1 81 81 ALA HA H 1 4.44 0.03 . 1 . . . . 81 ALA HA . 15509 1 896 . 1 1 81 81 ALA HB1 H 1 1.43 0.03 . 1 . . . . 81 ALA HB . 15509 1 897 . 1 1 81 81 ALA HB2 H 1 1.43 0.03 . 1 . . . . 81 ALA HB . 15509 1 898 . 1 1 81 81 ALA HB3 H 1 1.43 0.03 . 1 . . . . 81 ALA HB . 15509 1 899 . 1 1 81 81 ALA C C 13 177.8 0.3 . 1 . . . . 81 ALA C . 15509 1 900 . 1 1 81 81 ALA CA C 13 52.3 0.3 . 1 . . . . 81 ALA CA . 15509 1 901 . 1 1 81 81 ALA CB C 13 19.8 0.3 . 1 . . . . 81 ALA CB . 15509 1 902 . 1 1 81 81 ALA N N 15 125.7 0.3 . 1 . . . . 81 ALA N . 15509 1 903 . 1 1 82 82 THR H H 1 8.23 0.03 . 1 . . . . 82 THR H . 15509 1 904 . 1 1 82 82 THR HA H 1 4.35 0.03 . 1 . . . . 82 THR HA . 15509 1 905 . 1 1 82 82 THR HB H 1 4.18 0.03 . 1 . . . . 82 THR HB . 15509 1 906 . 1 1 82 82 THR HG21 H 1 1.22 0.03 . 1 . . . . 82 THR HG2 . 15509 1 907 . 1 1 82 82 THR HG22 H 1 1.22 0.03 . 1 . . . . 82 THR HG2 . 15509 1 908 . 1 1 82 82 THR HG23 H 1 1.22 0.03 . 1 . . . . 82 THR HG2 . 15509 1 909 . 1 1 82 82 THR C C 13 174.7 0.3 . 1 . . . . 82 THR C . 15509 1 910 . 1 1 82 82 THR CA C 13 62.2 0.3 . 1 . . . . 82 THR CA . 15509 1 911 . 1 1 82 82 THR CB C 13 70.1 0.3 . 1 . . . . 82 THR CB . 15509 1 912 . 1 1 82 82 THR CG2 C 13 21.6 0.3 . 1 . . . . 82 THR CG2 . 15509 1 913 . 1 1 82 82 THR N N 15 114.0 0.3 . 1 . . . . 82 THR N . 15509 1 914 . 1 1 83 83 GLU H H 1 8.53 0.03 . 1 . . . . 83 GLU H . 15509 1 915 . 1 1 83 83 GLU HA H 1 4.28 0.03 . 1 . . . . 83 GLU HA . 15509 1 916 . 1 1 83 83 GLU HB2 H 1 1.97 0.03 . 2 . . . . 83 GLU HB2 . 15509 1 917 . 1 1 83 83 GLU HB3 H 1 2.06 0.03 . 2 . . . . 83 GLU HB3 . 15509 1 918 . 1 1 83 83 GLU HG2 H 1 2.28 0.03 . 2 . . . . 83 GLU HG2 . 15509 1 919 . 1 1 83 83 GLU HG3 H 1 2.28 0.03 . 2 . . . . 83 GLU HG3 . 15509 1 920 . 1 1 83 83 GLU C C 13 176.1 0.3 . 1 . . . . 83 GLU C . 15509 1 921 . 1 1 83 83 GLU CA C 13 57.0 0.3 . 1 . . . . 83 GLU CA . 15509 1 922 . 1 1 83 83 GLU CB C 13 30.2 0.3 . 1 . . . . 83 GLU CB . 15509 1 923 . 1 1 83 83 GLU CG C 13 36.1 0.3 . 1 . . . . 83 GLU CG . 15509 1 924 . 1 1 83 83 GLU N N 15 123.2 0.3 . 1 . . . . 83 GLU N . 15509 1 925 . 1 1 84 84 ASP H H 1 8.47 0.03 . 1 . . . . 84 ASP H . 15509 1 926 . 1 1 84 84 ASP HA H 1 4.61 0.03 . 1 . . . . 84 ASP HA . 15509 1 927 . 1 1 84 84 ASP HB2 H 1 2.65 0.03 . 2 . . . . 84 ASP HB2 . 15509 1 928 . 1 1 84 84 ASP HB3 H 1 2.74 0.03 . 2 . . . . 84 ASP HB3 . 15509 1 929 . 1 1 84 84 ASP C C 13 176.4 0.3 . 1 . . . . 84 ASP C . 15509 1 930 . 1 1 84 84 ASP CA C 13 54.4 0.3 . 1 . . . . 84 ASP CA . 15509 1 931 . 1 1 84 84 ASP CB C 13 40.9 0.3 . 1 . . . . 84 ASP CB . 15509 1 932 . 1 1 84 84 ASP N N 15 122.0 0.3 . 1 . . . . 84 ASP N . 15509 1 933 . 1 1 85 85 LYS H H 1 8.31 0.03 . 1 . . . . 85 LYS H . 15509 1 934 . 1 1 85 85 LYS HA H 1 4.29 0.03 . 1 . . . . 85 LYS HA . 15509 1 935 . 1 1 85 85 LYS HB2 H 1 1.79 0.03 . 2 . . . . 85 LYS HB2 . 15509 1 936 . 1 1 85 85 LYS HB3 H 1 1.88 0.03 . 2 . . . . 85 LYS HB3 . 15509 1 937 . 1 1 85 85 LYS HD2 H 1 1.72 0.03 . 2 . . . . 85 LYS HD2 . 15509 1 938 . 1 1 85 85 LYS HD3 H 1 1.72 0.03 . 2 . . . . 85 LYS HD3 . 15509 1 939 . 1 1 85 85 LYS HE2 H 1 1.70 0.03 . 2 . . . . 85 LYS HE2 . 15509 1 940 . 1 1 85 85 LYS HE3 H 1 3.02 0.03 . 2 . . . . 85 LYS HE3 . 15509 1 941 . 1 1 85 85 LYS HG2 H 1 1.47 0.03 . 2 . . . . 85 LYS HG2 . 15509 1 942 . 1 1 85 85 LYS HG3 H 1 1.49 0.03 . 2 . . . . 85 LYS HG3 . 15509 1 943 . 1 1 85 85 LYS C C 13 176.8 0.3 . 1 . . . . 85 LYS C . 15509 1 944 . 1 1 85 85 LYS CA C 13 56.4 0.3 . 1 . . . . 85 LYS CA . 15509 1 945 . 1 1 85 85 LYS CB C 13 32.8 0.3 . 1 . . . . 85 LYS CB . 15509 1 946 . 1 1 85 85 LYS CD C 13 28.9 0.3 . 1 . . . . 85 LYS CD . 15509 1 947 . 1 1 85 85 LYS CE C 13 41.9 0.3 . 1 . . . . 85 LYS CE . 15509 1 948 . 1 1 85 85 LYS CG C 13 24.7 0.3 . 1 . . . . 85 LYS CG . 15509 1 949 . 1 1 85 85 LYS N N 15 122.4 0.3 . 1 . . . . 85 LYS N . 15509 1 950 . 1 1 86 86 ALA H H 1 8.36 0.03 . 1 . . . . 86 ALA H . 15509 1 951 . 1 1 86 86 ALA HA H 1 4.33 0.03 . 1 . . . . 86 ALA HA . 15509 1 952 . 1 1 86 86 ALA HB1 H 1 1.42 0.03 . 1 . . . . 86 ALA HB . 15509 1 953 . 1 1 86 86 ALA HB2 H 1 1.42 0.03 . 1 . . . . 86 ALA HB . 15509 1 954 . 1 1 86 86 ALA HB3 H 1 1.42 0.03 . 1 . . . . 86 ALA HB . 15509 1 955 . 1 1 86 86 ALA C C 13 178.0 0.3 . 1 . . . . 86 ALA C . 15509 1 956 . 1 1 86 86 ALA CA C 13 52.9 0.3 . 1 . . . . 86 ALA CA . 15509 1 957 . 1 1 86 86 ALA CB C 13 19.0 0.3 . 1 . . . . 86 ALA CB . 15509 1 958 . 1 1 86 86 ALA N N 15 124.6 0.3 . 1 . . . . 86 ALA N . 15509 1 959 . 1 1 87 87 SER H H 1 8.22 0.03 . 1 . . . . 87 SER H . 15509 1 960 . 1 1 87 87 SER HA H 1 4.41 0.03 . 1 . . . . 87 SER HA . 15509 1 961 . 1 1 87 87 SER HB2 H 1 3.89 0.03 . 2 . . . . 87 SER HB2 . 15509 1 962 . 1 1 87 87 SER HB3 H 1 3.91 0.03 . 2 . . . . 87 SER HB3 . 15509 1 963 . 1 1 87 87 SER C C 13 174.5 0.3 . 1 . . . . 87 SER C . 15509 1 964 . 1 1 87 87 SER CA C 13 58.4 0.3 . 1 . . . . 87 SER CA . 15509 1 965 . 1 1 87 87 SER CB C 13 63.6 0.3 . 1 . . . . 87 SER CB . 15509 1 966 . 1 1 87 87 SER N N 15 114.8 0.3 . 1 . . . . 87 SER N . 15509 1 967 . 1 1 88 88 ALA H H 1 8.21 0.03 . 1 . . . . 88 ALA H . 15509 1 968 . 1 1 88 88 ALA HA H 1 4.32 0.03 . 1 . . . . 88 ALA HA . 15509 1 969 . 1 1 88 88 ALA HB1 H 1 1.40 0.03 . 1 . . . . 88 ALA HB . 15509 1 970 . 1 1 88 88 ALA HB2 H 1 1.40 0.03 . 1 . . . . 88 ALA HB . 15509 1 971 . 1 1 88 88 ALA HB3 H 1 1.40 0.03 . 1 . . . . 88 ALA HB . 15509 1 972 . 1 1 88 88 ALA C C 13 177.5 0.3 . 1 . . . . 88 ALA C . 15509 1 973 . 1 1 88 88 ALA CA C 13 52.2 0.3 . 1 . . . . 88 ALA CA . 15509 1 974 . 1 1 88 88 ALA CB C 13 19.1 0.3 . 1 . . . . 88 ALA CB . 15509 1 975 . 1 1 88 88 ALA N N 15 125.7 0.3 . 1 . . . . 88 ALA N . 15509 1 976 . 1 1 89 89 ALA H H 1 8.19 0.03 . 1 . . . . 89 ALA H . 15509 1 977 . 1 1 89 89 ALA HA H 1 4.38 0.03 . 1 . . . . 89 ALA HA . 15509 1 978 . 1 1 89 89 ALA HB1 H 1 1.42 0.03 . 1 . . . . 89 ALA HB . 15509 1 979 . 1 1 89 89 ALA HB2 H 1 1.42 0.03 . 1 . . . . 89 ALA HB . 15509 1 980 . 1 1 89 89 ALA HB3 H 1 1.42 0.03 . 1 . . . . 89 ALA HB . 15509 1 981 . 1 1 89 89 ALA C C 13 177.8 0.3 . 1 . . . . 89 ALA C . 15509 1 982 . 1 1 89 89 ALA CA C 13 52.4 0.3 . 1 . . . . 89 ALA CA . 15509 1 983 . 1 1 89 89 ALA CB C 13 19.2 0.3 . 1 . . . . 89 ALA CB . 15509 1 984 . 1 1 89 89 ALA N N 15 123.1 0.3 . 1 . . . . 89 ALA N . 15509 1 985 . 1 1 90 90 VAL H H 1 8.03 0.03 . 1 . . . . 90 VAL H . 15509 1 986 . 1 1 90 90 VAL HA H 1 4.10 0.03 . 1 . . . . 90 VAL HA . 15509 1 987 . 1 1 90 90 VAL HB H 1 2.09 0.03 . 1 . . . . 90 VAL HB . 15509 1 988 . 1 1 90 90 VAL HG11 H 1 0.97 0.03 . 2 . . . . 90 VAL HG1 . 15509 1 989 . 1 1 90 90 VAL HG12 H 1 0.97 0.03 . 2 . . . . 90 VAL HG1 . 15509 1 990 . 1 1 90 90 VAL HG13 H 1 0.97 0.03 . 2 . . . . 90 VAL HG1 . 15509 1 991 . 1 1 90 90 VAL C C 13 176.3 0.3 . 1 . . . . 90 VAL C . 15509 1 992 . 1 1 90 90 VAL CA C 13 62.3 0.3 . 1 . . . . 90 VAL CA . 15509 1 993 . 1 1 90 90 VAL CB C 13 32.7 0.3 . 1 . . . . 90 VAL CB . 15509 1 994 . 1 1 90 90 VAL CG1 C 13 20.8 0.3 . 1 . . . . 90 VAL CG1 . 15509 1 995 . 1 1 90 90 VAL N N 15 119.2 0.3 . 1 . . . . 90 VAL N . 15509 1 996 . 1 1 91 91 GLU H H 1 8.47 0.03 . 1 . . . . 91 GLU H . 15509 1 997 . 1 1 91 91 GLU HA H 1 4.29 0.03 . 1 . . . . 91 GLU HA . 15509 1 998 . 1 1 91 91 GLU HB2 H 1 1.79 0.03 . 2 . . . . 91 GLU HB2 . 15509 1 999 . 1 1 91 91 GLU HB3 H 1 1.79 0.03 . 2 . . . . 91 GLU HB3 . 15509 1 1000 . 1 1 91 91 GLU HG2 H 1 2.84 0.03 . 2 . . . . 91 GLU HG2 . 15509 1 1001 . 1 1 91 91 GLU HG3 H 1 2.84 0.03 . 2 . . . . 91 GLU HG3 . 15509 1 1002 . 1 1 91 91 GLU C C 13 173.0 0.3 . 1 . . . . 91 GLU C . 15509 1 1003 . 1 1 91 91 GLU CB C 13 32.3 0.3 . 1 . . . . 91 GLU CB . 15509 1 1004 . 1 1 91 91 GLU CG C 13 33.5 0.3 . 1 . . . . 91 GLU CG . 15509 1 1005 . 1 1 91 91 GLU N N 15 124.7 0.3 . 1 . . . . 91 GLU N . 15509 1 1006 . 1 1 92 92 LYS H H 1 7.31 0.03 . 1 . . . . 92 LYS H . 15509 1 1007 . 1 1 92 92 LYS HA H 1 4.27 0.03 . 1 . . . . 92 LYS HA . 15509 1 1008 . 1 1 92 92 LYS HB2 H 1 1.88 0.03 . 2 . . . . 92 LYS HB2 . 15509 1 1009 . 1 1 92 92 LYS HB3 H 1 1.88 0.03 . 2 . . . . 92 LYS HB3 . 15509 1 1010 . 1 1 92 92 LYS HE2 H 1 2.88 0.03 . 2 . . . . 92 LYS HE2 . 15509 1 1011 . 1 1 92 92 LYS HE3 H 1 3.00 0.03 . 2 . . . . 92 LYS HE3 . 15509 1 1012 . 1 1 92 92 LYS HG2 H 1 1.58 0.03 . 2 . . . . 92 LYS HG2 . 15509 1 1013 . 1 1 92 92 LYS HG3 H 1 1.58 0.03 . 2 . . . . 92 LYS HG3 . 15509 1 1014 . 1 1 92 92 LYS C C 13 177.1 0.3 . 1 . . . . 92 LYS C . 15509 1 1015 . 1 1 92 92 LYS CA C 13 56.9 0.3 . 1 . . . . 92 LYS CA . 15509 1 1016 . 1 1 92 92 LYS CB C 13 33.0 0.3 . 1 . . . . 92 LYS CB . 15509 1 1017 . 1 1 92 92 LYS CD C 13 28.9 0.3 . 1 . . . . 92 LYS CD . 15509 1 1018 . 1 1 92 92 LYS CE C 13 42.4 0.3 . 1 . . . . 92 LYS CE . 15509 1 1019 . 1 1 92 92 LYS CG C 13 24.7 0.3 . 1 . . . . 92 LYS CG . 15509 1 1020 . 1 1 92 92 LYS N N 15 115.8 0.3 . 1 . . . . 92 LYS N . 15509 1 1021 . 1 1 93 93 GLY H H 1 8.47 0.03 . 1 . . . . 93 GLY H . 15509 1 1022 . 1 1 93 93 GLY HA2 H 1 3.96 0.03 . 2 . . . . 93 GLY HA2 . 15509 1 1023 . 1 1 93 93 GLY HA3 H 1 4.25 0.03 . 2 . . . . 93 GLY HA3 . 15509 1 1024 . 1 1 93 93 GLY C C 13 174.0 0.3 . 1 . . . . 93 GLY C . 15509 1 1025 . 1 1 93 93 GLY CA C 13 45.2 0.3 . 1 . . . . 93 GLY CA . 15509 1 1026 . 1 1 93 93 GLY N N 15 110.1 0.3 . 1 . . . . 93 GLY N . 15509 1 1027 . 1 1 94 94 ALA H H 1 8.28 0.03 . 1 . . . . 94 ALA H . 15509 1 1028 . 1 1 94 94 ALA HA H 1 4.35 0.03 . 1 . . . . 94 ALA HA . 15509 1 1029 . 1 1 94 94 ALA HB1 H 1 1.43 0.03 . 1 . . . . 94 ALA HB . 15509 1 1030 . 1 1 94 94 ALA HB2 H 1 1.43 0.03 . 1 . . . . 94 ALA HB . 15509 1 1031 . 1 1 94 94 ALA HB3 H 1 1.43 0.03 . 1 . . . . 94 ALA HB . 15509 1 1032 . 1 1 94 94 ALA C C 13 178.3 0.3 . 1 . . . . 94 ALA C . 15509 1 1033 . 1 1 94 94 ALA CA C 13 52.5 0.3 . 1 . . . . 94 ALA CA . 15509 1 1034 . 1 1 94 94 ALA CB C 13 19.2 0.3 . 1 . . . . 94 ALA CB . 15509 1 1035 . 1 1 94 94 ALA N N 15 123.9 0.3 . 1 . . . . 94 ALA N . 15509 1 1036 . 1 1 95 95 GLY H H 1 8.46 0.03 . 1 . . . . 95 GLY H . 15509 1 1037 . 1 1 95 95 GLY HA2 H 1 3.96 0.03 . 2 . . . . 95 GLY HA2 . 15509 1 1038 . 1 1 95 95 GLY HA3 H 1 3.96 0.03 . 2 . . . . 95 GLY HA3 . 15509 1 1039 . 1 1 95 95 GLY C C 13 173.9 0.3 . 1 . . . . 95 GLY C . 15509 1 1040 . 1 1 95 95 GLY CA C 13 44.9 0.3 . 1 . . . . 95 GLY CA . 15509 1 1041 . 1 1 95 95 GLY N N 15 108.2 0.3 . 1 . . . . 95 GLY N . 15509 1 1042 . 1 1 96 96 ALA H H 1 8.15 0.03 . 1 . . . . 96 ALA H . 15509 1 1043 . 1 1 96 96 ALA HA H 1 4.43 0.03 . 1 . . . . 96 ALA HA . 15509 1 1044 . 1 1 96 96 ALA HB1 H 1 1.42 0.03 . 1 . . . . 96 ALA HB . 15509 1 1045 . 1 1 96 96 ALA HB2 H 1 1.42 0.03 . 1 . . . . 96 ALA HB . 15509 1 1046 . 1 1 96 96 ALA HB3 H 1 1.42 0.03 . 1 . . . . 96 ALA HB . 15509 1 1047 . 1 1 96 96 ALA C C 13 177.8 0.3 . 1 . . . . 96 ALA C . 15509 1 1048 . 1 1 96 96 ALA CA C 13 52.5 0.3 . 1 . . . . 96 ALA CA . 15509 1 1049 . 1 1 96 96 ALA CB C 13 19.6 0.3 . 1 . . . . 96 ALA CB . 15509 1 1050 . 1 1 96 96 ALA N N 15 123.6 0.3 . 1 . . . . 96 ALA N . 15509 1 1051 . 1 1 97 97 THR H H 1 8.23 0.03 . 1 . . . . 97 THR H . 15509 1 1052 . 1 1 97 97 THR HA H 1 4.34 0.03 . 1 . . . . 97 THR HA . 15509 1 1053 . 1 1 97 97 THR HB H 1 4.24 0.03 . 1 . . . . 97 THR HB . 15509 1 1054 . 1 1 97 97 THR HG21 H 1 1.20 0.03 . 1 . . . . 97 THR HG2 . 15509 1 1055 . 1 1 97 97 THR HG22 H 1 1.20 0.03 . 1 . . . . 97 THR HG2 . 15509 1 1056 . 1 1 97 97 THR HG23 H 1 1.20 0.03 . 1 . . . . 97 THR HG2 . 15509 1 1057 . 1 1 97 97 THR C C 13 174.3 0.3 . 1 . . . . 97 THR C . 15509 1 1058 . 1 1 97 97 THR CA C 13 62.0 0.3 . 1 . . . . 97 THR CA . 15509 1 1059 . 1 1 97 97 THR CB C 13 69.9 0.3 . 1 . . . . 97 THR CB . 15509 1 1060 . 1 1 97 97 THR CG2 C 13 21.3 0.3 . 1 . . . . 97 THR CG2 . 15509 1 1061 . 1 1 97 97 THR N N 15 114.2 0.3 . 1 . . . . 97 THR N . 15509 1 1062 . 1 1 98 98 VAL H H 1 8.18 0.03 . 1 . . . . 98 VAL H . 15509 1 1063 . 1 1 98 98 VAL HA H 1 4.13 0.03 . 1 . . . . 98 VAL HA . 15509 1 1064 . 1 1 98 98 VAL HB H 1 2.08 0.03 . 1 . . . . 98 VAL HB . 15509 1 1065 . 1 1 98 98 VAL HG11 H 1 0.96 0.03 . 2 . . . . 98 VAL HG1 . 15509 1 1066 . 1 1 98 98 VAL HG12 H 1 0.96 0.03 . 2 . . . . 98 VAL HG1 . 15509 1 1067 . 1 1 98 98 VAL HG13 H 1 0.96 0.03 . 2 . . . . 98 VAL HG1 . 15509 1 1068 . 1 1 98 98 VAL C C 13 176.0 0.3 . 1 . . . . 98 VAL C . 15509 1 1069 . 1 1 98 98 VAL CA C 13 62.2 0.3 . 1 . . . . 98 VAL CA . 15509 1 1070 . 1 1 98 98 VAL CB C 13 32.3 0.3 . 1 . . . . 98 VAL CB . 15509 1 1071 . 1 1 98 98 VAL CG1 C 13 20.6 0.3 . 1 . . . . 98 VAL CG1 . 15509 1 1072 . 1 1 98 98 VAL N N 15 123.4 0.3 . 1 . . . . 98 VAL N . 15509 1 1073 . 1 1 99 99 LEU H H 1 8.41 0.03 . 1 . . . . 99 LEU H . 15509 1 1074 . 1 1 99 99 LEU HA H 1 4.36 0.03 . 1 . . . . 99 LEU HA . 15509 1 1075 . 1 1 99 99 LEU N N 15 126.2 0.3 . 1 . . . . 99 LEU N . 15509 1 1076 . 1 1 100 100 GLY H H 1 8.44 0.03 . 1 . . . . 100 GLY H . 15509 1 1077 . 1 1 100 100 GLY HA2 H 1 3.99 0.03 . 2 . . . . 100 GLY HA2 . 15509 1 1078 . 1 1 100 100 GLY HA3 H 1 4.28 0.03 . 2 . . . . 100 GLY HA3 . 15509 1 1079 . 1 1 100 100 GLY C C 13 174.1 0.3 . 1 . . . . 100 GLY C . 15509 1 1080 . 1 1 100 100 GLY CA C 13 45.2 0.3 . 1 . . . . 100 GLY CA . 15509 1 1081 . 1 1 100 100 GLY N N 15 109.8 0.3 . 1 . . . . 100 GLY N . 15509 1 1082 . 1 1 101 101 THR H H 1 7.98 0.03 . 1 . . . . 101 THR H . 15509 1 1083 . 1 1 101 101 THR HA H 1 4.32 0.03 . 1 . . . . 101 THR HA . 15509 1 1084 . 1 1 101 101 THR HB H 1 4.18 0.03 . 1 . . . . 101 THR HB . 15509 1 1085 . 1 1 101 101 THR HG21 H 1 1.15 0.03 . 1 . . . . 101 THR HG2 . 15509 1 1086 . 1 1 101 101 THR HG22 H 1 1.15 0.03 . 1 . . . . 101 THR HG2 . 15509 1 1087 . 1 1 101 101 THR HG23 H 1 1.15 0.03 . 1 . . . . 101 THR HG2 . 15509 1 1088 . 1 1 101 101 THR C C 13 173.9 0.3 . 1 . . . . 101 THR C . 15509 1 1089 . 1 1 101 101 THR CA C 13 61.5 0.3 . 1 . . . . 101 THR CA . 15509 1 1090 . 1 1 101 101 THR CB C 13 69.9 0.3 . 1 . . . . 101 THR CB . 15509 1 1091 . 1 1 101 101 THR CG2 C 13 21.5 0.3 . 1 . . . . 101 THR CG2 . 15509 1 1092 . 1 1 101 101 THR N N 15 113.5 0.3 . 1 . . . . 101 THR N . 15509 1 1093 . 1 1 102 102 ALA H H 1 8.25 0.03 . 1 . . . . 102 ALA H . 15509 1 1094 . 1 1 102 102 ALA HA H 1 4.32 0.03 . 1 . . . . 102 ALA HA . 15509 1 1095 . 1 1 102 102 ALA HB1 H 1 1.32 0.03 . 1 . . . . 102 ALA HB . 15509 1 1096 . 1 1 102 102 ALA HB2 H 1 1.32 0.03 . 1 . . . . 102 ALA HB . 15509 1 1097 . 1 1 102 102 ALA HB3 H 1 1.32 0.03 . 1 . . . . 102 ALA HB . 15509 1 1098 . 1 1 102 102 ALA C C 13 176.0 0.3 . 1 . . . . 102 ALA C . 15509 1 1099 . 1 1 102 102 ALA CA C 13 52.2 0.3 . 1 . . . . 102 ALA CA . 15509 1 1100 . 1 1 102 102 ALA CB C 13 19.3 0.3 . 1 . . . . 102 ALA CB . 15509 1 1101 . 1 1 102 102 ALA N N 15 126.3 0.3 . 1 . . . . 102 ALA N . 15509 1 1102 . 1 1 103 103 PHE H H 1 8.15 0.03 . 1 . . . . 103 PHE H . 15509 1 1103 . 1 1 103 103 PHE N N 15 120.8 0.3 . 1 . . . . 103 PHE N . 15509 1 1104 . 1 1 104 104 PRO HA H 1 4.50 0.03 . 1 . . . . 104 PRO HA . 15509 1 1105 . 1 1 104 104 PRO HB2 H 1 2.03 0.03 . 2 . . . . 104 PRO HB2 . 15509 1 1106 . 1 1 104 104 PRO HB3 H 1 2.30 0.03 . 2 . . . . 104 PRO HB3 . 15509 1 1107 . 1 1 104 104 PRO HD2 H 1 3.56 0.03 . 2 . . . . 104 PRO HD2 . 15509 1 1108 . 1 1 104 104 PRO HD3 H 1 3.79 0.03 . 2 . . . . 104 PRO HD3 . 15509 1 1109 . 1 1 104 104 PRO HG2 H 1 2.03 0.03 . 2 . . . . 104 PRO HG2 . 15509 1 1110 . 1 1 104 104 PRO HG3 H 1 2.03 0.03 . 2 . . . . 104 PRO HG3 . 15509 1 1111 . 1 1 104 104 PRO C C 13 176.1 0.3 . 1 . . . . 104 PRO C . 15509 1 1112 . 1 1 104 104 PRO CA C 13 63.7 0.3 . 1 . . . . 104 PRO CA . 15509 1 1113 . 1 1 104 104 PRO CB C 13 31.9 0.3 . 1 . . . . 104 PRO CB . 15509 1 1114 . 1 1 104 104 PRO CD C 13 50.7 0.3 . 1 . . . . 104 PRO CD . 15509 1 1115 . 1 1 104 104 PRO CG C 13 27.2 0.3 . 1 . . . . 104 PRO CG . 15509 1 1116 . 1 1 105 105 SER H H 1 8.04 0.03 . 1 . . . . 105 SER H . 15509 1 stop_ save_