data_16802 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16802 _Entry.Title ; Solution structure of N-terminal domain of CcmH from Escherichia.coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-30 _Entry.Accession_date 2010-03-30 _Entry.Last_release_date 2014-03-04 _Entry.Original_release_date 2014-03-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Jing Hong . . . 16802 2 Xueming Zheng . . . 16802 3 Hongyu Hu . . . 16802 4 Donghai Lin . . . 16802 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16802 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 16802 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16802 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 323 16802 '15N chemical shifts' 73 16802 '1H chemical shifts' 566 16802 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 . . 2014-03-04 2010-03-30 original author . 16802 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16802 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22789558 _Citation.Full_citation . _Citation.Title 'Biochemical properties and catalytic domain structure of the CcmH protein from Escherichia coli.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1824 _Citation.Journal_issue 12 _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 1394 _Citation.Page_last 1400 _Citation.Year 2012 _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 Xue-Ming Zheng . . . 16802 1 2 Jing Hong . . . 16802 1 3 Hai-Yin Li . . . 16802 1 4 Dong-Hai Lin . . . 16802 1 5 Hong-Yu Hu . . . 16802 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16802 _Assembly.ID 1 _Assembly.Name CcmH _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CcmH 1 $entity A . yes native no no . . . 16802 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16802 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CcmH _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 ; TIDVLQFKDEAQEQQFRQLT EELRCPKCQNNSIADSNSMI ATDLRQKVYELMQEGKSKKE IVDYMVARYGNFVTYDPPLT P ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9459.733 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2KW0 . "Solution Structure Of N-Terminal Domain Of Ccmh From Escherichia.Coli" . . . . . 100.00 90 100.00 100.00 8.25e-53 . . . . 16802 1 2 no DBJ BAB36506 . "cytochrome c-type biogenesis protein CcmH precursor [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 350 100.00 100.00 1.77e-50 . . . . 16802 1 3 no DBJ BAE76657 . "heme lyase, CcmH subunit [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 350 100.00 100.00 1.79e-50 . . . . 16802 1 4 no DBJ BAG77986 . "putative heme lyase subunit [Escherichia coli SE11]" . . . . . 100.00 350 98.77 98.77 1.67e-49 . . . . 16802 1 5 no DBJ BAI26332 . "heme lyase, CcmH subunit [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 350 100.00 100.00 1.85e-50 . . . . 16802 1 6 no DBJ BAI31440 . "heme lyase, CcmH subunit [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 350 100.00 100.00 1.59e-50 . . . . 16802 1 7 no EMBL CAP76696 . "Cytochrome c-type biogenesis protein ccmH [Escherichia coli LF82]" . . . . . 100.00 350 100.00 100.00 1.63e-50 . . . . 16802 1 8 no EMBL CAQ32597 . "ccmH, subunit of CcmEFGH holocytochrome c synthetase [Escherichia coli BL21(DE3)]" . . . . . 100.00 350 100.00 100.00 1.66e-50 . . . . 16802 1 9 no EMBL CAQ89785 . "heme lyase, CcmH subunit [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 350 100.00 100.00 1.75e-50 . . . . 16802 1 10 no EMBL CAQ99121 . "heme lyase, CcmH subunit [Escherichia coli IAI1]" . . . . . 100.00 350 100.00 100.00 1.59e-50 . . . . 16802 1 11 no EMBL CAR03622 . "heme lyase, CcmH subunit [Escherichia coli S88]" . . . . . 100.00 350 100.00 100.00 1.63e-50 . . . . 16802 1 12 no GB AAA16386 . "yejP [Escherichia coli]" . . . . . 100.00 350 100.00 100.00 1.79e-50 . . . . 16802 1 13 no GB AAC75254 . "heme lyase, CcmH subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 350 100.00 100.00 1.79e-50 . . . . 16802 1 14 no GB AAG57329 . "possible subunit of heme lyase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 350 100.00 100.00 1.87e-50 . . . . 16802 1 15 no GB AAN43797 . "possible subunit of heme lyase [Shigella flexneri 2a str. 301]" . . . . . 100.00 350 100.00 100.00 1.79e-50 . . . . 16802 1 16 no GB AAN81185 . "Cytochrome c-type biogenesis protein ccmH precursor [Escherichia coli CFT073]" . . . . . 100.00 350 100.00 100.00 1.63e-50 . . . . 16802 1 17 no REF NP_311110 . "CcmH precursor [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 350 100.00 100.00 1.77e-50 . . . . 16802 1 18 no REF NP_416698 . "heme lyase, CcmH subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 350 100.00 100.00 1.79e-50 . . . . 16802 1 19 no REF NP_708090 . "heme lyase subunit [Shigella flexneri 2a str. 301]" . . . . . 100.00 350 100.00 100.00 1.79e-50 . . . . 16802 1 20 no REF WP_001211546 . "heme lyase subunit CcmH [Shigella sonnei]" . . . . . 100.00 350 100.00 100.00 1.95e-50 . . . . 16802 1 21 no REF WP_001211547 . "cytochrome c-type biogenesis protein CcmH [Escherichia coli]" . . . . . 100.00 350 98.77 98.77 8.97e-50 . . . . 16802 1 22 no SP P0ABM9 . "RecName: Full=Cytochrome c-type biogenesis protein CcmH; Flags: Precursor" . . . . . 100.00 350 100.00 100.00 1.79e-50 . . . . 16802 1 23 no SP P0ABN0 . "RecName: Full=Cytochrome c-type biogenesis protein CcmH; Flags: Precursor" . . . . . 100.00 350 100.00 100.00 1.79e-50 . . . . 16802 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 19 THR . 16802 1 2 20 ILE . 16802 1 3 21 ASP . 16802 1 4 22 VAL . 16802 1 5 23 LEU . 16802 1 6 24 GLN . 16802 1 7 25 PHE . 16802 1 8 26 LYS . 16802 1 9 27 ASP . 16802 1 10 28 GLU . 16802 1 11 29 ALA . 16802 1 12 30 GLN . 16802 1 13 31 GLU . 16802 1 14 32 GLN . 16802 1 15 33 GLN . 16802 1 16 34 PHE . 16802 1 17 35 ARG . 16802 1 18 36 GLN . 16802 1 19 37 LEU . 16802 1 20 38 THR . 16802 1 21 39 GLU . 16802 1 22 40 GLU . 16802 1 23 41 LEU . 16802 1 24 42 ARG . 16802 1 25 43 CYS . 16802 1 26 44 PRO . 16802 1 27 45 LYS . 16802 1 28 46 CYS . 16802 1 29 47 GLN . 16802 1 30 48 ASN . 16802 1 31 49 ASN . 16802 1 32 50 SER . 16802 1 33 51 ILE . 16802 1 34 52 ALA . 16802 1 35 53 ASP . 16802 1 36 54 SER . 16802 1 37 55 ASN . 16802 1 38 56 SER . 16802 1 39 57 MET . 16802 1 40 58 ILE . 16802 1 41 59 ALA . 16802 1 42 60 THR . 16802 1 43 61 ASP . 16802 1 44 62 LEU . 16802 1 45 63 ARG . 16802 1 46 64 GLN . 16802 1 47 65 LYS . 16802 1 48 66 VAL . 16802 1 49 67 TYR . 16802 1 50 68 GLU . 16802 1 51 69 LEU . 16802 1 52 70 MET . 16802 1 53 71 GLN . 16802 1 54 72 GLU . 16802 1 55 73 GLY . 16802 1 56 74 LYS . 16802 1 57 75 SER . 16802 1 58 76 LYS . 16802 1 59 77 LYS . 16802 1 60 78 GLU . 16802 1 61 79 ILE . 16802 1 62 80 VAL . 16802 1 63 81 ASP . 16802 1 64 82 TYR . 16802 1 65 83 MET . 16802 1 66 84 VAL . 16802 1 67 85 ALA . 16802 1 68 86 ARG . 16802 1 69 87 TYR . 16802 1 70 88 GLY . 16802 1 71 89 ASN . 16802 1 72 90 PHE . 16802 1 73 91 VAL . 16802 1 74 92 THR . 16802 1 75 93 TYR . 16802 1 76 94 ASP . 16802 1 77 95 PRO . 16802 1 78 96 PRO . 16802 1 79 97 LEU . 16802 1 80 98 THR . 16802 1 81 99 PRO . 16802 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 . THR 1 1 16802 1 . ILE 2 2 16802 1 . ASP 3 3 16802 1 . VAL 4 4 16802 1 . LEU 5 5 16802 1 . GLN 6 6 16802 1 . PHE 7 7 16802 1 . LYS 8 8 16802 1 . ASP 9 9 16802 1 . GLU 10 10 16802 1 . ALA 11 11 16802 1 . GLN 12 12 16802 1 . GLU 13 13 16802 1 . GLN 14 14 16802 1 . GLN 15 15 16802 1 . PHE 16 16 16802 1 . ARG 17 17 16802 1 . GLN 18 18 16802 1 . LEU 19 19 16802 1 . THR 20 20 16802 1 . GLU 21 21 16802 1 . GLU 22 22 16802 1 . LEU 23 23 16802 1 . ARG 24 24 16802 1 . CYS 25 25 16802 1 . PRO 26 26 16802 1 . LYS 27 27 16802 1 . CYS 28 28 16802 1 . GLN 29 29 16802 1 . ASN 30 30 16802 1 . ASN 31 31 16802 1 . SER 32 32 16802 1 . ILE 33 33 16802 1 . ALA 34 34 16802 1 . ASP 35 35 16802 1 . SER 36 36 16802 1 . ASN 37 37 16802 1 . SER 38 38 16802 1 . MET 39 39 16802 1 . ILE 40 40 16802 1 . ALA 41 41 16802 1 . THR 42 42 16802 1 . ASP 43 43 16802 1 . LEU 44 44 16802 1 . ARG 45 45 16802 1 . GLN 46 46 16802 1 . LYS 47 47 16802 1 . VAL 48 48 16802 1 . TYR 49 49 16802 1 . GLU 50 50 16802 1 . LEU 51 51 16802 1 . MET 52 52 16802 1 . GLN 53 53 16802 1 . GLU 54 54 16802 1 . GLY 55 55 16802 1 . LYS 56 56 16802 1 . SER 57 57 16802 1 . LYS 58 58 16802 1 . LYS 59 59 16802 1 . GLU 60 60 16802 1 . ILE 61 61 16802 1 . VAL 62 62 16802 1 . ASP 63 63 16802 1 . TYR 64 64 16802 1 . MET 65 65 16802 1 . VAL 66 66 16802 1 . ALA 67 67 16802 1 . ARG 68 68 16802 1 . TYR 69 69 16802 1 . GLY 70 70 16802 1 . ASN 71 71 16802 1 . PHE 72 72 16802 1 . VAL 73 73 16802 1 . THR 74 74 16802 1 . TYR 75 75 16802 1 . ASP 76 76 16802 1 . PRO 77 77 16802 1 . PRO 78 78 16802 1 . LEU 79 79 16802 1 . THR 80 80 16802 1 . PRO 81 81 16802 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 16802 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16802 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 16802 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet22b . . . . . . 16802 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16802 _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 entity 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 16802 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16802 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16802 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16802 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16802 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16802 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16802 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 16802 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16802 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16802 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16802 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16802 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16802 _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' 0.1 . M 16802 1 pH 6.5 . pH 16802 1 pressure 1 . atm 16802 1 temperature 298 . K 16802 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16802 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 16802 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16802 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 16802 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16802 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16802 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 16802 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16802 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16802 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16802 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16802 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16802 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16802 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16802 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16802 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16802 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16802 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16802 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 16802 _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 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 16802 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1.000000000 . . . . . . . . . 16802 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 16802 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 16802 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _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 2 '3D CBCA(CO)NH' . . . 16802 1 3 '3D HNCACB' . . . 16802 1 4 '3D HNCA' . . . 16802 1 5 '3D HN(CO)CA' . . . 16802 1 6 '3D HNCO' . . . 16802 1 7 '3D H(CCO)NH' . . . 16802 1 8 '3D C(CO)NH' . . . 16802 1 10 '3D HCCH-TOCSY' . . . 16802 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 THR H H 1 8.092 0.002 . 1 . . . . 19 T H . 16802 1 2 . 1 1 1 1 THR HA H 1 4.389 0.063 . 1 . . . . 19 T HA . 16802 1 3 . 1 1 1 1 THR HB H 1 4.194 0.000 . 1 . . . . 19 T HB . 16802 1 4 . 1 1 1 1 THR HG21 H 1 1.211 0.013 . 1 . . . . 19 T HG21 . 16802 1 5 . 1 1 1 1 THR HG22 H 1 1.211 0.013 . 1 . . . . 19 T HG21 . 16802 1 6 . 1 1 1 1 THR HG23 H 1 1.211 0.013 . 1 . . . . 19 T HG21 . 16802 1 7 . 1 1 1 1 THR C C 13 174.997 0.000 . 1 . . . . 19 T C . 16802 1 8 . 1 1 1 1 THR CA C 13 61.788 0.122 . 1 . . . . 19 T CA . 16802 1 9 . 1 1 1 1 THR CB C 13 69.896 0.050 . 1 . . . . 19 T CB . 16802 1 10 . 1 1 1 1 THR CG2 C 13 21.727 0.026 . 1 . . . . 19 T CG2 . 16802 1 11 . 1 1 1 1 THR N N 15 120.251 0.044 . 1 . . . . 19 T N . 16802 1 12 . 1 1 2 2 ILE H H 1 8.265 0.008 . 1 . . . . 20 I H . 16802 1 13 . 1 1 2 2 ILE HA H 1 4.219 0.014 . 1 . . . . 20 I HA . 16802 1 14 . 1 1 2 2 ILE HB H 1 1.853 0.012 . 1 . . . . 20 I HB . 16802 1 15 . 1 1 2 2 ILE HD11 H 1 0.873 0.013 . 1 . . . . 20 I HD11 . 16802 1 16 . 1 1 2 2 ILE HD12 H 1 0.873 0.013 . 1 . . . . 20 I HD11 . 16802 1 17 . 1 1 2 2 ILE HD13 H 1 0.873 0.013 . 1 . . . . 20 I HD11 . 16802 1 18 . 1 1 2 2 ILE HG12 H 1 1.476 0.015 . 2 . . . . 20 I HG11 . 16802 1 19 . 1 1 2 2 ILE HG13 H 1 1.176 0.017 . 2 . . . . 20 I HG12 . 16802 1 20 . 1 1 2 2 ILE HG21 H 1 0.893 0.012 . 1 . . . . 20 I HG21 . 16802 1 21 . 1 1 2 2 ILE HG22 H 1 0.893 0.012 . 1 . . . . 20 I HG21 . 16802 1 22 . 1 1 2 2 ILE HG23 H 1 0.893 0.012 . 1 . . . . 20 I HG21 . 16802 1 23 . 1 1 2 2 ILE C C 13 175.164 0.000 . 1 . . . . 20 I C . 16802 1 24 . 1 1 2 2 ILE CA C 13 61.147 0.110 . 1 . . . . 20 I CA . 16802 1 25 . 1 1 2 2 ILE CB C 13 38.900 0.039 . 1 . . . . 20 I CB . 16802 1 26 . 1 1 2 2 ILE CD1 C 13 13.214 0.040 . 1 . . . . 20 I CD1 . 16802 1 27 . 1 1 2 2 ILE CG1 C 13 27.250 0.042 . 1 . . . . 20 I CG1 . 16802 1 28 . 1 1 2 2 ILE CG2 C 13 17.473 0.041 . 1 . . . . 20 I CG2 . 16802 1 29 . 1 1 2 2 ILE N N 15 122.868 0.047 . 1 . . . . 20 I N . 16802 1 30 . 1 1 3 3 ASP H H 1 8.404 0.004 . 1 . . . . 21 D H . 16802 1 31 . 1 1 3 3 ASP HA H 1 4.551 0.010 . 1 . . . . 21 D HA . 16802 1 32 . 1 1 3 3 ASP HB2 H 1 2.624 0.019 . 2 . . . . 21 D HB1 . 16802 1 33 . 1 1 3 3 ASP HB3 H 1 2.545 0.011 . 2 . . . . 21 D HB2 . 16802 1 34 . 1 1 3 3 ASP C C 13 175.737 0.000 . 1 . . . . 21 D C . 16802 1 35 . 1 1 3 3 ASP CA C 13 54.521 0.049 . 1 . . . . 21 D CA . 16802 1 36 . 1 1 3 3 ASP CB C 13 41.343 0.070 . 1 . . . . 21 D CB . 16802 1 37 . 1 1 3 3 ASP N N 15 124.839 0.062 . 1 . . . . 21 D N . 16802 1 38 . 1 1 4 4 VAL H H 1 7.959 0.005 . 1 . . . . 22 V H . 16802 1 39 . 1 1 4 4 VAL HA H 1 4.015 0.013 . 1 . . . . 22 V HA . 16802 1 40 . 1 1 4 4 VAL HB H 1 2.016 0.014 . 1 . . . . 22 V HB . 16802 1 41 . 1 1 4 4 VAL HG11 H 1 0.846 0.008 . 2 . . . . 22 V HG11 . 16802 1 42 . 1 1 4 4 VAL HG12 H 1 0.846 0.008 . 2 . . . . 22 V HG11 . 16802 1 43 . 1 1 4 4 VAL HG13 H 1 0.846 0.008 . 2 . . . . 22 V HG11 . 16802 1 44 . 1 1 4 4 VAL HG21 H 1 0.862 0.010 . 2 . . . . 22 V HG21 . 16802 1 45 . 1 1 4 4 VAL HG22 H 1 0.862 0.010 . 2 . . . . 22 V HG21 . 16802 1 46 . 1 1 4 4 VAL HG23 H 1 0.862 0.010 . 2 . . . . 22 V HG21 . 16802 1 47 . 1 1 4 4 VAL C C 13 175.566 0.000 . 1 . . . . 22 V C . 16802 1 48 . 1 1 4 4 VAL CA C 13 61.949 0.100 . 1 . . . . 22 V CA . 16802 1 49 . 1 1 4 4 VAL CB C 13 32.580 0.044 . 1 . . . . 22 V CB . 16802 1 50 . 1 1 4 4 VAL CG1 C 13 21.106 0.031 . 2 . . . . 22 V CG1 . 16802 1 51 . 1 1 4 4 VAL CG2 C 13 20.182 0.082 . 2 . . . . 22 V CG2 . 16802 1 52 . 1 1 4 4 VAL N N 15 119.832 0.055 . 1 . . . . 22 V N . 16802 1 53 . 1 1 5 5 LEU H H 1 7.986 0.004 . 1 . . . . 23 L H . 16802 1 54 . 1 1 5 5 LEU HA H 1 3.788 0.009 . 1 . . . . 23 L HA . 16802 1 55 . 1 1 5 5 LEU HB2 H 1 1.284 0.015 . 2 . . . . 23 L HB1 . 16802 1 56 . 1 1 5 5 LEU HB3 H 1 0.433 0.017 . 2 . . . . 23 L HB2 . 16802 1 57 . 1 1 5 5 LEU HD11 H 1 0.457 0.011 . 2 . . . . 23 L HD11 . 16802 1 58 . 1 1 5 5 LEU HD12 H 1 0.457 0.011 . 2 . . . . 23 L HD11 . 16802 1 59 . 1 1 5 5 LEU HD13 H 1 0.457 0.011 . 2 . . . . 23 L HD11 . 16802 1 60 . 1 1 5 5 LEU HD21 H 1 0.074 0.010 . 2 . . . . 23 L HD21 . 16802 1 61 . 1 1 5 5 LEU HD22 H 1 0.074 0.010 . 2 . . . . 23 L HD21 . 16802 1 62 . 1 1 5 5 LEU HD23 H 1 0.074 0.010 . 2 . . . . 23 L HD21 . 16802 1 63 . 1 1 5 5 LEU HG H 1 1.216 0.013 . 1 . . . . 23 L HG . 16802 1 64 . 1 1 5 5 LEU C C 13 175.576 0.000 . 1 . . . . 23 L C . 16802 1 65 . 1 1 5 5 LEU CA C 13 54.295 0.081 . 1 . . . . 23 L CA . 16802 1 66 . 1 1 5 5 LEU CB C 13 41.718 0.039 . 1 . . . . 23 L CB . 16802 1 67 . 1 1 5 5 LEU CD1 C 13 25.515 0.035 . 2 . . . . 23 L CD1 . 16802 1 68 . 1 1 5 5 LEU CD2 C 13 21.876 0.021 . 2 . . . . 23 L CD2 . 16802 1 69 . 1 1 5 5 LEU CG C 13 26.358 0.053 . 1 . . . . 23 L CG . 16802 1 70 . 1 1 5 5 LEU N N 15 125.697 0.051 . 1 . . . . 23 L N . 16802 1 71 . 1 1 6 6 GLN H H 1 7.540 0.004 . 1 . . . . 24 Q H . 16802 1 72 . 1 1 6 6 GLN HA H 1 4.364 0.012 . 1 . . . . 24 Q HA . 16802 1 73 . 1 1 6 6 GLN HB2 H 1 1.905 0.012 . 2 . . . . 24 Q HB1 . 16802 1 74 . 1 1 6 6 GLN HB3 H 1 1.785 0.010 . 2 . . . . 24 Q HB2 . 16802 1 75 . 1 1 6 6 GLN HG2 H 1 2.190 0.008 . 1 . . . . 24 Q HG# . 16802 1 76 . 1 1 6 6 GLN HG3 H 1 2.190 0.008 . 1 . . . . 24 Q HG# . 16802 1 77 . 1 1 6 6 GLN C C 13 175.202 0.000 . 1 . . . . 24 Q C . 16802 1 78 . 1 1 6 6 GLN CA C 13 54.522 0.075 . 1 . . . . 24 Q CA . 16802 1 79 . 1 1 6 6 GLN CB C 13 30.197 0.101 . 1 . . . . 24 Q CB . 16802 1 80 . 1 1 6 6 GLN CG C 13 33.560 0.016 . 1 . . . . 24 Q CG . 16802 1 81 . 1 1 6 6 GLN N N 15 119.766 0.061 . 1 . . . . 24 Q N . 16802 1 82 . 1 1 7 7 PHE H H 1 8.869 0.006 . 1 . . . . 25 F H . 16802 1 83 . 1 1 7 7 PHE HA H 1 4.857 0.017 . 1 . . . . 25 F HA . 16802 1 84 . 1 1 7 7 PHE HB2 H 1 3.359 0.010 . 2 . . . . 25 F HB1 . 16802 1 85 . 1 1 7 7 PHE HB3 H 1 2.823 0.015 . 2 . . . . 25 F HB2 . 16802 1 86 . 1 1 7 7 PHE HD1 H 1 6.977 0.013 . 3 . . . . 25 F HD# . 16802 1 87 . 1 1 7 7 PHE HD2 H 1 6.977 0.013 . 3 . . . . 25 F HD# . 16802 1 88 . 1 1 7 7 PHE HE1 H 1 7.233 0.008 . 3 . . . . 25 F HE# . 16802 1 89 . 1 1 7 7 PHE HE2 H 1 7.233 0.008 . 3 . . . . 25 F HE# . 16802 1 90 . 1 1 7 7 PHE C C 13 176.152 0.000 . 1 . . . . 25 F C . 16802 1 91 . 1 1 7 7 PHE CA C 13 57.677 0.090 . 1 . . . . 25 F CA . 16802 1 92 . 1 1 7 7 PHE CB C 13 41.905 0.045 . 1 . . . . 25 F CB . 16802 1 93 . 1 1 7 7 PHE N N 15 123.340 0.031 . 1 . . . . 25 F N . 16802 1 94 . 1 1 8 8 LYS H H 1 8.832 0.004 . 1 . . . . 26 K H . 16802 1 95 . 1 1 8 8 LYS HA H 1 4.074 0.014 . 1 . . . . 26 K HA . 16802 1 96 . 1 1 8 8 LYS HB2 H 1 1.871 0.010 . 2 . . . . 26 K HB1 . 16802 1 97 . 1 1 8 8 LYS HB3 H 1 1.737 0.012 . 2 . . . . 26 K HB2 . 16802 1 98 . 1 1 8 8 LYS HD2 H 1 1.719 0.010 . 1 . . . . 26 K HD# . 16802 1 99 . 1 1 8 8 LYS HD3 H 1 1.719 0.010 . 1 . . . . 26 K HD# . 16802 1 100 . 1 1 8 8 LYS HE2 H 1 3.024 0.012 . 1 . . . . 26 K HE# . 16802 1 101 . 1 1 8 8 LYS HE3 H 1 3.024 0.012 . 1 . . . . 26 K HE# . 16802 1 102 . 1 1 8 8 LYS HG2 H 1 1.548 0.009 . 1 . . . . 26 K HG1 . 16802 1 103 . 1 1 8 8 LYS HG3 H 1 1.434 0.012 . 2 . . . . 26 K HG2 . 16802 1 104 . 1 1 8 8 LYS C C 13 175.942 0.000 . 1 . . . . 26 K C . 16802 1 105 . 1 1 8 8 LYS CA C 13 58.325 0.089 . 1 . . . . 26 K CA . 16802 1 106 . 1 1 8 8 LYS CB C 13 33.428 0.060 . 1 . . . . 26 K CB . 16802 1 107 . 1 1 8 8 LYS CD C 13 29.141 0.098 . 1 . . . . 26 K CD . 16802 1 108 . 1 1 8 8 LYS CE C 13 41.946 0.074 . 1 . . . . 26 K CE . 16802 1 109 . 1 1 8 8 LYS CG C 13 24.750 0.049 . 1 . . . . 26 K CG . 16802 1 110 . 1 1 8 8 LYS N N 15 121.849 0.045 . 1 . . . . 26 K N . 16802 1 111 . 1 1 9 9 ASP H H 1 7.519 0.004 . 1 . . . . 27 D H . 16802 1 112 . 1 1 9 9 ASP HA H 1 4.613 0.014 . 1 . . . . 27 D HA . 16802 1 113 . 1 1 9 9 ASP HB2 H 1 3.119 0.009 . 2 . . . . 27 D HB1 . 16802 1 114 . 1 1 9 9 ASP HB3 H 1 3.032 0.018 . 2 . . . . 27 D HB2 . 16802 1 115 . 1 1 9 9 ASP C C 13 175.750 0.000 . 1 . . . . 27 D C . 16802 1 116 . 1 1 9 9 ASP CA C 13 52.633 0.071 . 1 . . . . 27 D CA . 16802 1 117 . 1 1 9 9 ASP CB C 13 41.990 0.036 . 1 . . . . 27 D CB . 16802 1 118 . 1 1 9 9 ASP N N 15 112.684 0.038 . 1 . . . . 27 D N . 16802 1 119 . 1 1 10 10 GLU H H 1 8.838 0.005 . 1 . . . . 28 E H . 16802 1 120 . 1 1 10 10 GLU HA H 1 4.156 0.011 . 1 . . . . 28 E HA . 16802 1 121 . 1 1 10 10 GLU HB2 H 1 2.076 0.012 . 1 . . . . 28 E HB# . 16802 1 122 . 1 1 10 10 GLU HB3 H 1 2.076 0.012 . 1 . . . . 28 E HB# . 16802 1 123 . 1 1 10 10 GLU HG2 H 1 2.362 0.017 . 1 . . . . 28 E HG# . 16802 1 124 . 1 1 10 10 GLU HG3 H 1 2.362 0.017 . 1 . . . . 28 E HG# . 16802 1 125 . 1 1 10 10 GLU C C 13 178.295 0.000 . 1 . . . . 28 E C . 16802 1 126 . 1 1 10 10 GLU CA C 13 59.204 0.073 . 1 . . . . 28 E CA . 16802 1 127 . 1 1 10 10 GLU CB C 13 29.629 0.088 . 1 . . . . 28 E CB . 16802 1 128 . 1 1 10 10 GLU CG C 13 36.619 0.016 . 1 . . . . 28 E CG . 16802 1 129 . 1 1 10 10 GLU N N 15 120.267 0.049 . 1 . . . . 28 E N . 16802 1 130 . 1 1 11 11 ALA H H 1 8.170 0.003 . 1 . . . . 29 A H . 16802 1 131 . 1 1 11 11 ALA HA H 1 4.156 0.013 . 1 . . . . 29 A HA . 16802 1 132 . 1 1 11 11 ALA HB1 H 1 1.453 0.010 . 1 . . . . 29 A HB1 . 16802 1 133 . 1 1 11 11 ALA HB2 H 1 1.453 0.010 . 1 . . . . 29 A HB1 . 16802 1 134 . 1 1 11 11 ALA HB3 H 1 1.453 0.010 . 1 . . . . 29 A HB1 . 16802 1 135 . 1 1 11 11 ALA C C 13 180.719 0.000 . 1 . . . . 29 A C . 16802 1 136 . 1 1 11 11 ALA CA C 13 55.047 0.108 . 1 . . . . 29 A CA . 16802 1 137 . 1 1 11 11 ALA CB C 13 17.516 0.020 . 1 . . . . 29 A CB . 16802 1 138 . 1 1 11 11 ALA N N 15 123.241 0.037 . 1 . . . . 29 A N . 16802 1 139 . 1 1 12 12 GLN H H 1 8.552 0.006 . 1 . . . . 30 Q H . 16802 1 140 . 1 1 12 12 GLN HA H 1 4.041 0.012 . 1 . . . . 30 Q HA . 16802 1 141 . 1 1 12 12 GLN HB2 H 1 2.279 0.015 . 1 . . . . 30 Q HB# . 16802 1 142 . 1 1 12 12 GLN HB3 H 1 2.279 0.015 . 1 . . . . 30 Q HB# . 16802 1 143 . 1 1 12 12 GLN HE21 H 1 7.846 0.002 . 2 . . . . 30 Q HE21 . 16802 1 144 . 1 1 12 12 GLN HE22 H 1 7.028 0.003 . 2 . . . . 30 Q HE22 . 16802 1 145 . 1 1 12 12 GLN HG2 H 1 2.694 0.011 . 2 . . . . 30 Q HG1 . 16802 1 146 . 1 1 12 12 GLN HG3 H 1 2.467 0.013 . 2 . . . . 30 Q HG2 . 16802 1 147 . 1 1 12 12 GLN C C 13 177.817 0.000 . 1 . . . . 30 Q C . 16802 1 148 . 1 1 12 12 GLN CA C 13 59.353 0.027 . 1 . . . . 30 Q CA . 16802 1 149 . 1 1 12 12 GLN CB C 13 29.712 0.057 . 1 . . . . 30 Q CB . 16802 1 150 . 1 1 12 12 GLN CG C 13 35.700 0.022 . 1 . . . . 30 Q CG . 16802 1 151 . 1 1 12 12 GLN N N 15 120.524 0.025 . 1 . . . . 30 Q N . 16802 1 152 . 1 1 12 12 GLN NE2 N 15 112.881 0.092 . 1 . . . . 30 Q NE2 . 16802 1 153 . 1 1 13 13 GLU H H 1 7.598 0.004 . 1 . . . . 31 E H . 16802 1 154 . 1 1 13 13 GLU HA H 1 2.672 0.013 . 1 . . . . 31 E HA . 16802 1 155 . 1 1 13 13 GLU HB2 H 1 2.056 0.013 . 2 . . . . 31 E HB1 . 16802 1 156 . 1 1 13 13 GLU HB3 H 1 1.676 0.013 . 2 . . . . 31 E HB2 . 16802 1 157 . 1 1 13 13 GLU HG2 H 1 1.944 0.009 . 2 . . . . 31 E HG1 . 16802 1 158 . 1 1 13 13 GLU HG3 H 1 1.880 0.014 . 2 . . . . 31 E HG2 . 16802 1 159 . 1 1 13 13 GLU C C 13 178.508 0.000 . 1 . . . . 31 E C . 16802 1 160 . 1 1 13 13 GLU CA C 13 59.600 0.053 . 1 . . . . 31 E CA . 16802 1 161 . 1 1 13 13 GLU CB C 13 28.955 0.072 . 1 . . . . 31 E CB . 16802 1 162 . 1 1 13 13 GLU CG C 13 35.857 0.038 . 1 . . . . 31 E CG . 16802 1 163 . 1 1 13 13 GLU N N 15 119.817 0.049 . 1 . . . . 31 E N . 16802 1 164 . 1 1 14 14 GLN H H 1 8.272 0.007 . 1 . . . . 32 Q H . 16802 1 165 . 1 1 14 14 GLN HA H 1 3.965 0.011 . 1 . . . . 32 Q HA . 16802 1 166 . 1 1 14 14 GLN HB2 H 1 2.166 0.014 . 1 . . . . 32 Q HB# . 16802 1 167 . 1 1 14 14 GLN HB3 H 1 2.166 0.014 . 1 . . . . 32 Q HB# . 16802 1 168 . 1 1 14 14 GLN HE21 H 1 7.524 0.000 . 2 . . . . 32 Q HE21 . 16802 1 169 . 1 1 14 14 GLN HE22 H 1 6.822 0.000 . 2 . . . . 32 Q HE22 . 16802 1 170 . 1 1 14 14 GLN HG2 H 1 2.518 0.016 . 2 . . . . 32 Q HG1 . 16802 1 171 . 1 1 14 14 GLN HG3 H 1 2.427 0.011 . 2 . . . . 32 Q HG2 . 16802 1 172 . 1 1 14 14 GLN C C 13 178.735 0.000 . 1 . . . . 32 Q C . 16802 1 173 . 1 1 14 14 GLN CA C 13 58.858 0.058 . 1 . . . . 32 Q CA . 16802 1 174 . 1 1 14 14 GLN CB C 13 27.938 0.077 . 1 . . . . 32 Q CB . 16802 1 175 . 1 1 14 14 GLN CG C 13 33.787 0.085 . 1 . . . . 32 Q CG . 16802 1 176 . 1 1 14 14 GLN N N 15 117.948 0.042 . 1 . . . . 32 Q N . 16802 1 177 . 1 1 14 14 GLN NE2 N 15 111.365 0.000 . 1 . . . . 32 Q NE2 . 16802 1 178 . 1 1 15 15 GLN H H 1 8.087 0.004 . 1 . . . . 33 Q H . 16802 1 179 . 1 1 15 15 GLN HA H 1 4.049 0.014 . 1 . . . . 33 Q HA . 16802 1 180 . 1 1 15 15 GLN HB2 H 1 2.302 0.009 . 2 . . . . 33 Q HB1 . 16802 1 181 . 1 1 15 15 GLN HB3 H 1 2.212 0.022 . 2 . . . . 33 Q HB2 . 16802 1 182 . 1 1 15 15 GLN HE21 H 1 7.177 0.005 . 2 . . . . 33 Q HE21 . 16802 1 183 . 1 1 15 15 GLN HE22 H 1 6.983 0.000 . 2 . . . . 33 Q HE22 . 16802 1 184 . 1 1 15 15 GLN HG2 H 1 2.542 0.014 . 2 . . . . 33 Q HG1 . 16802 1 185 . 1 1 15 15 GLN HG3 H 1 2.368 0.011 . 2 . . . . 33 Q HG2 . 16802 1 186 . 1 1 15 15 GLN C C 13 178.383 0.000 . 1 . . . . 33 Q C . 16802 1 187 . 1 1 15 15 GLN CA C 13 59.112 0.054 . 1 . . . . 33 Q CA . 16802 1 188 . 1 1 15 15 GLN CB C 13 28.756 0.102 . 1 . . . . 33 Q CB . 16802 1 189 . 1 1 15 15 GLN CG C 13 34.519 0.044 . 1 . . . . 33 Q CG . 16802 1 190 . 1 1 15 15 GLN N N 15 119.883 0.034 . 1 . . . . 33 Q N . 16802 1 191 . 1 1 15 15 GLN NE2 N 15 109.956 0.074 . 1 . . . . 33 Q NE2 . 16802 1 192 . 1 1 16 16 PHE H H 1 8.357 0.004 . 1 . . . . 34 F H . 16802 1 193 . 1 1 16 16 PHE HA H 1 4.182 0.010 . 1 . . . . 34 F HA . 16802 1 194 . 1 1 16 16 PHE HB2 H 1 3.258 0.015 . 2 . . . . 34 F HB1 . 16802 1 195 . 1 1 16 16 PHE HB3 H 1 3.126 0.015 . 2 . . . . 34 F HB2 . 16802 1 196 . 1 1 16 16 PHE HD1 H 1 6.977 0.010 . 3 . . . . 34 F HD# . 16802 1 197 . 1 1 16 16 PHE HD2 H 1 6.977 0.010 . 3 . . . . 34 F HD# . 16802 1 198 . 1 1 16 16 PHE HE1 H 1 7.417 0.006 . 3 . . . . 34 F HE# . 16802 1 199 . 1 1 16 16 PHE HE2 H 1 7.417 0.006 . 3 . . . . 34 F HE# . 16802 1 200 . 1 1 16 16 PHE C C 13 177.364 0.000 . 1 . . . . 34 F C . 16802 1 201 . 1 1 16 16 PHE CA C 13 62.025 0.073 . 1 . . . . 34 F CA . 16802 1 202 . 1 1 16 16 PHE CB C 13 39.676 0.034 . 1 . . . . 34 F CB . 16802 1 203 . 1 1 16 16 PHE N N 15 121.184 0.046 . 1 . . . . 34 F N . 16802 1 204 . 1 1 17 17 ARG H H 1 8.502 0.006 . 1 . . . . 35 R H . 16802 1 205 . 1 1 17 17 ARG HA H 1 3.737 0.013 . 1 . . . . 35 R HA . 16802 1 206 . 1 1 17 17 ARG HB2 H 1 1.995 0.011 . 2 . . . . 35 R HB1 . 16802 1 207 . 1 1 17 17 ARG HB3 H 1 1.929 0.012 . 2 . . . . 35 R HB2 . 16802 1 208 . 1 1 17 17 ARG HD2 H 1 3.202 0.014 . 1 . . . . 35 R HD# . 16802 1 209 . 1 1 17 17 ARG HD3 H 1 3.202 0.014 . 1 . . . . 35 R HD# . 16802 1 210 . 1 1 17 17 ARG HG2 H 1 1.816 0.015 . 2 . . . . 35 R HG1 . 16802 1 211 . 1 1 17 17 ARG HG3 H 1 1.718 0.011 . 2 . . . . 35 R HG2 . 16802 1 212 . 1 1 17 17 ARG C C 13 178.805 0.000 . 1 . . . . 35 R C . 16802 1 213 . 1 1 17 17 ARG CA C 13 59.323 0.071 . 1 . . . . 35 R CA . 16802 1 214 . 1 1 17 17 ARG CB C 13 29.308 0.105 . 1 . . . . 35 R CB . 16802 1 215 . 1 1 17 17 ARG CD C 13 43.073 0.058 . 1 . . . . 35 R CD . 16802 1 216 . 1 1 17 17 ARG CG C 13 27.494 0.044 . 1 . . . . 35 R CG . 16802 1 217 . 1 1 17 17 ARG N N 15 120.338 0.030 . 1 . . . . 35 R N . 16802 1 218 . 1 1 18 18 GLN H H 1 8.221 0.005 . 1 . . . . 36 Q H . 16802 1 219 . 1 1 18 18 GLN HA H 1 4.013 0.012 . 1 . . . . 36 Q HA . 16802 1 220 . 1 1 18 18 GLN HB2 H 1 2.347 0.012 . 1 . . . . 36 Q HB# . 16802 1 221 . 1 1 18 18 GLN HB3 H 1 2.347 0.012 . 1 . . . . 36 Q HB# . 16802 1 222 . 1 1 18 18 GLN HE21 H 1 7.517 0.001 . 2 . . . . 36 Q HE21 . 16802 1 223 . 1 1 18 18 GLN HG2 H 1 2.358 0.012 . 1 . . . . 36 Q HG# . 16802 1 224 . 1 1 18 18 GLN HG3 H 1 2.358 0.012 . 1 . . . . 36 Q HG# . 16802 1 225 . 1 1 18 18 GLN C C 13 178.434 0.000 . 1 . . . . 36 Q C . 16802 1 226 . 1 1 18 18 GLN CA C 13 59.140 0.053 . 1 . . . . 36 Q CA . 16802 1 227 . 1 1 18 18 GLN CB C 13 28.150 0.089 . 1 . . . . 36 Q CB . 16802 1 228 . 1 1 18 18 GLN CG C 13 33.819 0.050 . 1 . . . . 36 Q CG . 16802 1 229 . 1 1 18 18 GLN N N 15 117.966 0.062 . 1 . . . . 36 Q N . 16802 1 230 . 1 1 18 18 GLN NE2 N 15 111.576 0.031 . 1 . . . . 36 Q NE2 . 16802 1 231 . 1 1 19 19 LEU H H 1 8.141 0.004 . 1 . . . . 37 L H . 16802 1 232 . 1 1 19 19 LEU HA H 1 4.089 0.014 . 1 . . . . 37 L HA . 16802 1 233 . 1 1 19 19 LEU HB2 H 1 1.989 0.010 . 2 . . . . 37 L HB1 . 16802 1 234 . 1 1 19 19 LEU HB3 H 1 1.414 0.019 . 2 . . . . 37 L HB2 . 16802 1 235 . 1 1 19 19 LEU HD11 H 1 0.991 0.014 . 2 . . . . 37 L HD11 . 16802 1 236 . 1 1 19 19 LEU HD12 H 1 0.991 0.014 . 2 . . . . 37 L HD11 . 16802 1 237 . 1 1 19 19 LEU HD13 H 1 0.991 0.014 . 2 . . . . 37 L HD11 . 16802 1 238 . 1 1 19 19 LEU HD21 H 1 0.951 0.010 . 2 . . . . 37 L HD21 . 16802 1 239 . 1 1 19 19 LEU HD22 H 1 0.951 0.010 . 2 . . . . 37 L HD21 . 16802 1 240 . 1 1 19 19 LEU HD23 H 1 0.951 0.010 . 2 . . . . 37 L HD21 . 16802 1 241 . 1 1 19 19 LEU HG H 1 1.706 0.015 . 1 . . . . 37 L HG . 16802 1 242 . 1 1 19 19 LEU C C 13 178.894 0.000 . 1 . . . . 37 L C . 16802 1 243 . 1 1 19 19 LEU CA C 13 58.628 0.094 . 1 . . . . 37 L CA . 16802 1 244 . 1 1 19 19 LEU CB C 13 42.828 0.050 . 1 . . . . 37 L CB . 16802 1 245 . 1 1 19 19 LEU CD1 C 13 25.989 0.040 . 2 . . . . 37 L CD1 . 16802 1 246 . 1 1 19 19 LEU CD2 C 13 25.217 0.026 . 2 . . . . 37 L CD2 . 16802 1 247 . 1 1 19 19 LEU CG C 13 28.274 0.120 . 1 . . . . 37 L CG . 16802 1 248 . 1 1 19 19 LEU N N 15 118.909 0.027 . 1 . . . . 37 L N . 16802 1 249 . 1 1 20 20 THR H H 1 7.948 0.005 . 1 . . . . 38 T H . 16802 1 250 . 1 1 20 20 THR HA H 1 3.928 0.009 . 1 . . . . 38 T HA . 16802 1 251 . 1 1 20 20 THR HB H 1 3.939 0.014 . 1 . . . . 38 T HB . 16802 1 252 . 1 1 20 20 THR HG21 H 1 0.641 0.008 . 1 . . . . 38 T HG21 . 16802 1 253 . 1 1 20 20 THR HG22 H 1 0.641 0.008 . 1 . . . . 38 T HG21 . 16802 1 254 . 1 1 20 20 THR HG23 H 1 0.641 0.008 . 1 . . . . 38 T HG21 . 16802 1 255 . 1 1 20 20 THR CA C 13 64.440 0.114 . 1 . . . . 38 T CA . 16802 1 256 . 1 1 20 20 THR CB C 13 68.849 0.090 . 1 . . . . 38 T CB . 16802 1 257 . 1 1 20 20 THR CG2 C 13 22.202 0.043 . 1 . . . . 38 T CG2 . 16802 1 258 . 1 1 20 20 THR N N 15 105.238 0.037 . 1 . . . . 38 T N . 16802 1 259 . 1 1 21 21 GLU H H 1 7.541 0.003 . 1 . . . . 39 E H . 16802 1 260 . 1 1 21 21 GLU HA H 1 4.327 0.013 . 1 . . . . 39 E HA . 16802 1 261 . 1 1 21 21 GLU HB2 H 1 2.076 0.000 . 1 . . . . 39 E HB# . 16802 1 262 . 1 1 21 21 GLU HB3 H 1 2.076 0.000 . 1 . . . . 39 E HB# . 16802 1 263 . 1 1 21 21 GLU HG2 H 1 2.423 0.011 . 2 . . . . 39 E HG1 . 16802 1 264 . 1 1 21 21 GLU HG3 H 1 2.240 0.014 . 2 . . . . 39 E HG2 . 16802 1 265 . 1 1 21 21 GLU C C 13 175.934 0.000 . 1 . . . . 39 E C . 16802 1 266 . 1 1 21 21 GLU CA C 13 57.979 0.105 . 1 . . . . 39 E CA . 16802 1 267 . 1 1 21 21 GLU CB C 13 30.091 0.045 . 1 . . . . 39 E CB . 16802 1 268 . 1 1 21 21 GLU CG C 13 36.480 0.022 . 1 . . . . 39 E CG . 16802 1 269 . 1 1 21 21 GLU N N 15 119.909 0.035 . 1 . . . . 39 E N . 16802 1 270 . 1 1 22 22 GLU H H 1 7.875 0.010 . 1 . . . . 40 E H . 16802 1 271 . 1 1 22 22 GLU HA H 1 4.061 0.015 . 1 . . . . 40 E HA . 16802 1 272 . 1 1 22 22 GLU HB2 H 1 2.205 0.013 . 2 . . . . 40 E HB1 . 16802 1 273 . 1 1 22 22 GLU HB3 H 1 2.091 0.009 . 2 . . . . 40 E HB2 . 16802 1 274 . 1 1 22 22 GLU HG2 H 1 2.760 0.017 . 2 . . . . 40 E HG1 . 16802 1 275 . 1 1 22 22 GLU HG3 H 1 2.136 0.009 . 2 . . . . 40 E HG2 . 16802 1 276 . 1 1 22 22 GLU C C 13 176.070 0.000 . 1 . . . . 40 E C . 16802 1 277 . 1 1 22 22 GLU CA C 13 57.784 0.089 . 1 . . . . 40 E CA . 16802 1 278 . 1 1 22 22 GLU CB C 13 31.233 0.054 . 1 . . . . 40 E CB . 16802 1 279 . 1 1 22 22 GLU CG C 13 36.756 0.043 . 1 . . . . 40 E CG . 16802 1 280 . 1 1 22 22 GLU N N 15 118.628 0.093 . 1 . . . . 40 E N . 16802 1 281 . 1 1 23 23 LEU H H 1 7.377 0.012 . 1 . . . . 41 L H . 16802 1 282 . 1 1 23 23 LEU HA H 1 5.019 0.008 . 1 . . . . 41 L HA . 16802 1 283 . 1 1 23 23 LEU HB2 H 1 1.872 0.010 . 2 . . . . 41 L HB1 . 16802 1 284 . 1 1 23 23 LEU HB3 H 1 1.186 0.014 . 2 . . . . 41 L HB2 . 16802 1 285 . 1 1 23 23 LEU HD11 H 1 0.918 0.013 . 2 . . . . 41 L HD11 . 16802 1 286 . 1 1 23 23 LEU HD12 H 1 0.918 0.013 . 2 . . . . 41 L HD11 . 16802 1 287 . 1 1 23 23 LEU HD13 H 1 0.918 0.013 . 2 . . . . 41 L HD11 . 16802 1 288 . 1 1 23 23 LEU HD21 H 1 0.780 0.015 . 2 . . . . 41 L HD21 . 16802 1 289 . 1 1 23 23 LEU HD22 H 1 0.780 0.015 . 2 . . . . 41 L HD21 . 16802 1 290 . 1 1 23 23 LEU HD23 H 1 0.780 0.015 . 2 . . . . 41 L HD21 . 16802 1 291 . 1 1 23 23 LEU HG H 1 1.967 0.013 . 1 . . . . 41 L HG . 16802 1 292 . 1 1 23 23 LEU C C 13 176.070 0.000 . 1 . . . . 41 L C . 16802 1 293 . 1 1 23 23 LEU CA C 13 53.741 0.077 . 1 . . . . 41 L CA . 16802 1 294 . 1 1 23 23 LEU CB C 13 42.570 0.058 . 1 . . . . 41 L CB . 16802 1 295 . 1 1 23 23 LEU CD1 C 13 23.535 0.071 . 2 . . . . 41 L CD1 . 16802 1 296 . 1 1 23 23 LEU CD2 C 13 27.173 0.057 . 2 . . . . 41 L CD2 . 16802 1 297 . 1 1 23 23 LEU CG C 13 26.650 0.070 . 1 . . . . 41 L CG . 16802 1 298 . 1 1 23 23 LEU N N 15 119.150 0.044 . 1 . . . . 41 L N . 16802 1 299 . 1 1 24 24 ARG HA H 1 4.676 0.015 . 1 . . . . 42 R HA . 16802 1 300 . 1 1 24 24 ARG HB2 H 1 1.598 0.012 . 1 . . . . 42 R HB# . 16802 1 301 . 1 1 24 24 ARG HB3 H 1 1.598 0.012 . 1 . . . . 42 R HB# . 16802 1 302 . 1 1 24 24 ARG HD2 H 1 3.131 0.012 . 2 . . . . 42 R HD1 . 16802 1 303 . 1 1 24 24 ARG HD3 H 1 3.058 0.017 . 2 . . . . 42 R HD2 . 16802 1 304 . 1 1 24 24 ARG HG2 H 1 1.566 0.007 . 2 . . . . 42 R HG1 . 16802 1 305 . 1 1 24 24 ARG HG3 H 1 1.412 0.011 . 2 . . . . 42 R HG2 . 16802 1 306 . 1 1 24 24 ARG C C 13 175.689 0.000 . 1 . . . . 42 R C . 16802 1 307 . 1 1 24 24 ARG CA C 13 54.225 0.098 . 1 . . . . 42 R CA . 16802 1 308 . 1 1 24 24 ARG CB C 13 32.125 0.049 . 1 . . . . 42 R CB . 16802 1 309 . 1 1 24 24 ARG CD C 13 42.765 0.054 . 1 . . . . 42 R CD . 16802 1 310 . 1 1 24 24 ARG CG C 13 27.413 0.031 . 1 . . . . 42 R CG . 16802 1 311 . 1 1 25 25 CYS H H 1 8.230 0.007 . 1 . . . . 43 C H . 16802 1 312 . 1 1 25 25 CYS HA H 1 5.278 0.011 . 1 . . . . 43 C HA . 16802 1 313 . 1 1 25 25 CYS HB2 H 1 2.854 0.012 . 2 . . . . 43 C HB1 . 16802 1 314 . 1 1 25 25 CYS HB3 H 1 2.717 0.009 . 2 . . . . 43 C HB2 . 16802 1 315 . 1 1 25 25 CYS CA C 13 55.564 0.076 . 1 . . . . 43 C CA . 16802 1 316 . 1 1 25 25 CYS CB C 13 28.763 0.030 . 1 . . . . 43 C CB . 16802 1 317 . 1 1 25 25 CYS N N 15 118.281 0.053 . 1 . . . . 43 C N . 16802 1 318 . 1 1 26 26 PRO HA H 1 4.773 0.011 . 1 . . . . 44 P HA . 16802 1 319 . 1 1 26 26 PRO HB2 H 1 2.371 0.011 . 2 . . . . 44 P HB1 . 16802 1 320 . 1 1 26 26 PRO HB3 H 1 2.100 0.010 . 2 . . . . 44 P HB2 . 16802 1 321 . 1 1 26 26 PRO HD2 H 1 3.578 0.007 . 2 . . . . 44 P HD1 . 16802 1 322 . 1 1 26 26 PRO HD3 H 1 3.540 0.010 . 2 . . . . 44 P HD2 . 16802 1 323 . 1 1 26 26 PRO HG2 H 1 1.926 0.011 . 2 . . . . 44 P HG1 . 16802 1 324 . 1 1 26 26 PRO HG3 H 1 1.809 0.008 . 2 . . . . 44 P HG2 . 16802 1 325 . 1 1 26 26 PRO CA C 13 62.680 0.041 . 1 . . . . 44 P CA . 16802 1 326 . 1 1 26 26 PRO CB C 13 34.376 0.042 . 1 . . . . 44 P CB . 16802 1 327 . 1 1 26 26 PRO CD C 13 50.246 0.020 . 1 . . . . 44 P CD . 16802 1 328 . 1 1 26 26 PRO CG C 13 24.772 0.072 . 1 . . . . 44 P CG . 16802 1 329 . 1 1 27 27 LYS HA H 1 4.384 0.012 . 1 . . . . 45 K HA . 16802 1 330 . 1 1 27 27 LYS HB2 H 1 2.076 0.012 . 1 . . . . 45 K HB# . 16802 1 331 . 1 1 27 27 LYS HB3 H 1 2.076 0.012 . 1 . . . . 45 K HB# . 16802 1 332 . 1 1 27 27 LYS HD2 H 1 1.715 0.008 . 1 . . . . 45 K HD# . 16802 1 333 . 1 1 27 27 LYS HD3 H 1 1.715 0.008 . 1 . . . . 45 K HD# . 16802 1 334 . 1 1 27 27 LYS HE2 H 1 2.986 0.014 . 1 . . . . 45 K HE# . 16802 1 335 . 1 1 27 27 LYS HE3 H 1 2.986 0.014 . 1 . . . . 45 K HE# . 16802 1 336 . 1 1 27 27 LYS HG2 H 1 1.558 0.010 . 2 . . . . 45 K HG1 . 16802 1 337 . 1 1 27 27 LYS HG3 H 1 1.506 0.011 . 2 . . . . 45 K HG2 . 16802 1 338 . 1 1 27 27 LYS CA C 13 56.881 0.043 . 1 . . . . 45 K CA . 16802 1 339 . 1 1 27 27 LYS CB C 13 32.307 0.022 . 1 . . . . 45 K CB . 16802 1 340 . 1 1 27 27 LYS CD C 13 28.868 0.073 . 1 . . . . 45 K CD . 16802 1 341 . 1 1 27 27 LYS CE C 13 41.992 0.012 . 1 . . . . 45 K CE . 16802 1 342 . 1 1 27 27 LYS CG C 13 25.486 0.036 . 1 . . . . 45 K CG . 16802 1 343 . 1 1 28 28 CYS HA H 1 4.549 0.006 . 1 . . . . 46 C HA . 16802 1 344 . 1 1 28 28 CYS HB2 H 1 3.041 0.008 . 2 . . . . 46 C HB1 . 16802 1 345 . 1 1 28 28 CYS HB3 H 1 2.996 0.010 . 2 . . . . 46 C HB2 . 16802 1 346 . 1 1 28 28 CYS CA C 13 56.046 0.030 . 1 . . . . 46 C CA . 16802 1 347 . 1 1 28 28 CYS CB C 13 30.525 0.025 . 1 . . . . 46 C CB . 16802 1 348 . 1 1 29 29 GLN HA H 1 4.213 0.010 . 1 . . . . 47 Q HA . 16802 1 349 . 1 1 29 29 GLN HB2 H 1 1.908 0.011 . 1 . . . . 47 Q HB# . 16802 1 350 . 1 1 29 29 GLN HB3 H 1 1.908 0.011 . 1 . . . . 47 Q HB# . 16802 1 351 . 1 1 29 29 GLN HG2 H 1 2.180 0.014 . 1 . . . . 47 Q HG# . 16802 1 352 . 1 1 29 29 GLN HG3 H 1 2.180 0.014 . 1 . . . . 47 Q HG# . 16802 1 353 . 1 1 29 29 GLN CA C 13 56.466 0.038 . 1 . . . . 47 Q CA . 16802 1 354 . 1 1 29 29 GLN CB C 13 30.387 0.060 . 1 . . . . 47 Q CB . 16802 1 355 . 1 1 29 29 GLN CG C 13 36.245 0.021 . 1 . . . . 47 Q CG . 16802 1 356 . 1 1 30 30 ASN HA H 1 4.778 0.012 . 1 . . . . 48 N HA . 16802 1 357 . 1 1 30 30 ASN HB2 H 1 2.882 0.014 . 1 . . . . 48 N HB# . 16802 1 358 . 1 1 30 30 ASN HB3 H 1 2.882 0.014 . 1 . . . . 48 N HB# . 16802 1 359 . 1 1 30 30 ASN CA C 13 53.367 0.061 . 1 . . . . 48 N CA . 16802 1 360 . 1 1 30 30 ASN CB C 13 39.478 0.210 . 1 . . . . 48 N CB . 16802 1 361 . 1 1 31 31 ASN H H 1 8.458 0.007 . 1 . . . . 49 N H . 16802 1 362 . 1 1 31 31 ASN HA H 1 4.771 0.011 . 1 . . . . 49 N HA . 16802 1 363 . 1 1 31 31 ASN HB2 H 1 2.865 0.000 . 1 . . . . 49 N HB# . 16802 1 364 . 1 1 31 31 ASN HB3 H 1 2.865 0.000 . 1 . . . . 49 N HB# . 16802 1 365 . 1 1 31 31 ASN C C 13 175.646 0.000 . 1 . . . . 49 N C . 16802 1 366 . 1 1 31 31 ASN CA C 13 53.609 0.143 . 1 . . . . 49 N CA . 16802 1 367 . 1 1 31 31 ASN CB C 13 38.954 0.016 . 1 . . . . 49 N CB . 16802 1 368 . 1 1 31 31 ASN N N 15 119.694 0.019 . 1 . . . . 49 N N . 16802 1 369 . 1 1 32 32 SER HA H 1 4.866 0.012 . 1 . . . . 50 S HA . 16802 1 370 . 1 1 32 32 SER HB2 H 1 4.446 0.008 . 2 . . . . 50 S HB1 . 16802 1 371 . 1 1 32 32 SER HB3 H 1 4.006 0.011 . 2 . . . . 50 S HB2 . 16802 1 372 . 1 1 32 32 SER CA C 13 57.964 0.048 . 1 . . . . 50 S CA . 16802 1 373 . 1 1 32 32 SER CB C 13 64.295 0.062 . 1 . . . . 50 S CB . 16802 1 374 . 1 1 33 33 ILE HA H 1 4.185 0.011 . 1 . . . . 51 I HA . 16802 1 375 . 1 1 33 33 ILE HB H 1 2.152 0.012 . 1 . . . . 51 I HB . 16802 1 376 . 1 1 33 33 ILE HD11 H 1 0.743 0.012 . 1 . . . . 51 I HD11 . 16802 1 377 . 1 1 33 33 ILE HD12 H 1 0.743 0.012 . 1 . . . . 51 I HD11 . 16802 1 378 . 1 1 33 33 ILE HD13 H 1 0.743 0.012 . 1 . . . . 51 I HD11 . 16802 1 379 . 1 1 33 33 ILE HG12 H 1 1.519 0.012 . 2 . . . . 51 I HG11 . 16802 1 380 . 1 1 33 33 ILE HG13 H 1 1.320 0.010 . 2 . . . . 51 I HG12 . 16802 1 381 . 1 1 33 33 ILE HG21 H 1 0.916 0.009 . 1 . . . . 51 I HG21 . 16802 1 382 . 1 1 33 33 ILE HG22 H 1 0.916 0.009 . 1 . . . . 51 I HG21 . 16802 1 383 . 1 1 33 33 ILE HG23 H 1 0.916 0.009 . 1 . . . . 51 I HG21 . 16802 1 384 . 1 1 33 33 ILE CA C 13 63.594 0.050 . 1 . . . . 51 I CA . 16802 1 385 . 1 1 33 33 ILE CB C 13 37.590 0.056 . 1 . . . . 51 I CB . 16802 1 386 . 1 1 33 33 ILE CD1 C 13 14.176 0.022 . 1 . . . . 51 I CD1 . 16802 1 387 . 1 1 33 33 ILE CG1 C 13 26.807 0.037 . 1 . . . . 51 I CG1 . 16802 1 388 . 1 1 33 33 ILE CG2 C 13 18.153 0.026 . 1 . . . . 51 I CG2 . 16802 1 389 . 1 1 34 34 ALA HA H 1 4.097 0.011 . 1 . . . . 52 A HA . 16802 1 390 . 1 1 34 34 ALA HB1 H 1 1.321 0.009 . 1 . . . . 52 A HB1 . 16802 1 391 . 1 1 34 34 ALA HB2 H 1 1.321 0.009 . 1 . . . . 52 A HB1 . 16802 1 392 . 1 1 34 34 ALA HB3 H 1 1.321 0.009 . 1 . . . . 52 A HB1 . 16802 1 393 . 1 1 34 34 ALA CA C 13 54.155 0.022 . 1 . . . . 52 A CA . 16802 1 394 . 1 1 34 34 ALA CB C 13 18.898 0.016 . 1 . . . . 52 A CB . 16802 1 395 . 1 1 35 35 ASP HA H 1 4.284 0.017 . 1 . . . . 53 D HA . 16802 1 396 . 1 1 35 35 ASP HB2 H 1 3.075 0.009 . 2 . . . . 53 D HB1 . 16802 1 397 . 1 1 35 35 ASP HB3 H 1 2.747 0.010 . 2 . . . . 53 D HB2 . 16802 1 398 . 1 1 35 35 ASP CA C 13 54.071 0.101 . 1 . . . . 53 D CA . 16802 1 399 . 1 1 35 35 ASP CB C 13 38.302 0.032 . 1 . . . . 53 D CB . 16802 1 400 . 1 1 36 36 SER H H 1 8.148 0.017 . 1 . . . . 54 S H . 16802 1 401 . 1 1 36 36 SER HA H 1 4.435 0.014 . 1 . . . . 54 S HA . 16802 1 402 . 1 1 36 36 SER HB2 H 1 3.942 0.010 . 2 . . . . 54 S HB1 . 16802 1 403 . 1 1 36 36 SER HB3 H 1 3.714 0.012 . 2 . . . . 54 S HB2 . 16802 1 404 . 1 1 36 36 SER CA C 13 58.642 0.146 . 1 . . . . 54 S CA . 16802 1 405 . 1 1 36 36 SER CB C 13 64.049 0.115 . 1 . . . . 54 S CB . 16802 1 406 . 1 1 36 36 SER N N 15 115.820 0.053 . 1 . . . . 54 S N . 16802 1 407 . 1 1 37 37 ASN H H 1 8.626 0.008 . 1 . . . . 55 N H . 16802 1 408 . 1 1 37 37 ASN HA H 1 4.961 0.012 . 1 . . . . 55 N HA . 16802 1 409 . 1 1 37 37 ASN HB2 H 1 2.928 0.013 . 2 . . . . 55 N HB1 . 16802 1 410 . 1 1 37 37 ASN HB3 H 1 2.861 0.012 . 2 . . . . 55 N HB2 . 16802 1 411 . 1 1 37 37 ASN HD21 H 1 7.630 0.001 . 2 . . . . 55 N HD21 . 16802 1 412 . 1 1 37 37 ASN HD22 H 1 6.906 0.004 . 2 . . . . 55 N HD22 . 16802 1 413 . 1 1 37 37 ASN C C 13 175.351 0.000 . 1 . . . . 55 N C . 16802 1 414 . 1 1 37 37 ASN CA C 13 52.785 0.149 . 1 . . . . 55 N CA . 16802 1 415 . 1 1 37 37 ASN CB C 13 38.616 0.064 . 1 . . . . 55 N CB . 16802 1 416 . 1 1 37 37 ASN N N 15 122.799 0.023 . 1 . . . . 55 N N . 16802 1 417 . 1 1 37 37 ASN ND2 N 15 112.301 0.030 . 1 . . . . 55 N ND2 . 16802 1 418 . 1 1 38 38 SER H H 1 7.997 0.006 . 1 . . . . 56 S H . 16802 1 419 . 1 1 38 38 SER HA H 1 4.455 0.016 . 1 . . . . 56 S HA . 16802 1 420 . 1 1 38 38 SER HB2 H 1 4.171 0.013 . 2 . . . . 56 S HB1 . 16802 1 421 . 1 1 38 38 SER HB3 H 1 3.977 0.011 . 2 . . . . 56 S HB2 . 16802 1 422 . 1 1 38 38 SER CA C 13 58.056 0.084 . 1 . . . . 56 S CA . 16802 1 423 . 1 1 38 38 SER CB C 13 64.403 0.110 . 1 . . . . 56 S CB . 16802 1 424 . 1 1 38 38 SER N N 15 115.509 0.053 . 1 . . . . 56 S N . 16802 1 425 . 1 1 39 39 MET H H 1 8.472 0.003 . 1 . . . . 57 M H . 16802 1 426 . 1 1 39 39 MET HA H 1 4.321 0.013 . 1 . . . . 57 M HA . 16802 1 427 . 1 1 39 39 MET HB2 H 1 2.119 0.013 . 1 . . . . 57 M HB# . 16802 1 428 . 1 1 39 39 MET HB3 H 1 2.119 0.013 . 1 . . . . 57 M HB# . 16802 1 429 . 1 1 39 39 MET HE1 H 1 2.099 0.009 . 1 . . . . 57 M HE1 . 16802 1 430 . 1 1 39 39 MET HE2 H 1 2.099 0.009 . 1 . . . . 57 M HE1 . 16802 1 431 . 1 1 39 39 MET HE3 H 1 2.099 0.009 . 1 . . . . 57 M HE1 . 16802 1 432 . 1 1 39 39 MET HG2 H 1 2.680 0.013 . 2 . . . . 57 M HG1 . 16802 1 433 . 1 1 39 39 MET HG3 H 1 2.596 0.013 . 2 . . . . 57 M HG2 . 16802 1 434 . 1 1 39 39 MET C C 13 178.124 0.000 . 1 . . . . 57 M C . 16802 1 435 . 1 1 39 39 MET CA C 13 58.281 0.148 . 1 . . . . 57 M CA . 16802 1 436 . 1 1 39 39 MET CB C 13 32.194 0.031 . 1 . . . . 57 M CB . 16802 1 437 . 1 1 39 39 MET CE C 13 16.995 0.006 . 1 . . . . 57 M CE . 16802 1 438 . 1 1 39 39 MET CG C 13 32.154 0.040 . 1 . . . . 57 M CG . 16802 1 439 . 1 1 39 39 MET N N 15 118.037 0.054 . 1 . . . . 57 M N . 16802 1 440 . 1 1 40 40 ILE H H 1 8.027 0.003 . 1 . . . . 58 I H . 16802 1 441 . 1 1 40 40 ILE HA H 1 3.993 0.011 . 1 . . . . 58 I HA . 16802 1 442 . 1 1 40 40 ILE HB H 1 1.688 0.010 . 1 . . . . 58 I HB . 16802 1 443 . 1 1 40 40 ILE HD11 H 1 0.729 0.010 . 1 . . . . 58 I HD11 . 16802 1 444 . 1 1 40 40 ILE HD12 H 1 0.729 0.010 . 1 . . . . 58 I HD11 . 16802 1 445 . 1 1 40 40 ILE HD13 H 1 0.729 0.010 . 1 . . . . 58 I HD11 . 16802 1 446 . 1 1 40 40 ILE HG12 H 1 1.413 0.010 . 2 . . . . 58 I HG11 . 16802 1 447 . 1 1 40 40 ILE HG13 H 1 1.036 0.014 . 2 . . . . 58 I HG12 . 16802 1 448 . 1 1 40 40 ILE HG21 H 1 0.766 0.010 . 1 . . . . 58 I HG21 . 16802 1 449 . 1 1 40 40 ILE HG22 H 1 0.766 0.010 . 1 . . . . 58 I HG21 . 16802 1 450 . 1 1 40 40 ILE HG23 H 1 0.766 0.010 . 1 . . . . 58 I HG21 . 16802 1 451 . 1 1 40 40 ILE CA C 13 62.916 0.041 . 1 . . . . 58 I CA . 16802 1 452 . 1 1 40 40 ILE CB C 13 38.039 0.028 . 1 . . . . 58 I CB . 16802 1 453 . 1 1 40 40 ILE CD1 C 13 13.294 0.027 . 1 . . . . 58 I CD1 . 16802 1 454 . 1 1 40 40 ILE CG1 C 13 28.681 0.022 . 1 . . . . 58 I CG1 . 16802 1 455 . 1 1 40 40 ILE CG2 C 13 17.740 0.031 . 1 . . . . 58 I CG2 . 16802 1 456 . 1 1 40 40 ILE N N 15 118.372 0.069 . 1 . . . . 58 I N . 16802 1 457 . 1 1 41 41 ALA HA H 1 3.968 0.013 . 1 . . . . 59 A HA . 16802 1 458 . 1 1 41 41 ALA HB1 H 1 1.585 0.013 . 1 . . . . 59 A HB1 . 16802 1 459 . 1 1 41 41 ALA HB2 H 1 1.585 0.013 . 1 . . . . 59 A HB1 . 16802 1 460 . 1 1 41 41 ALA HB3 H 1 1.585 0.013 . 1 . . . . 59 A HB1 . 16802 1 461 . 1 1 41 41 ALA C C 13 179.092 0.000 . 1 . . . . 59 A C . 16802 1 462 . 1 1 41 41 ALA CA C 13 55.434 0.037 . 1 . . . . 59 A CA . 16802 1 463 . 1 1 41 41 ALA CB C 13 18.888 0.058 . 1 . . . . 59 A CB . 16802 1 464 . 1 1 42 42 THR H H 1 8.053 0.005 . 1 . . . . 60 T H . 16802 1 465 . 1 1 42 42 THR HA H 1 3.853 0.012 . 1 . . . . 60 T HA . 16802 1 466 . 1 1 42 42 THR HB H 1 4.344 0.012 . 1 . . . . 60 T HB . 16802 1 467 . 1 1 42 42 THR HG21 H 1 1.281 0.010 . 1 . . . . 60 T HG21 . 16802 1 468 . 1 1 42 42 THR HG22 H 1 1.281 0.010 . 1 . . . . 60 T HG21 . 16802 1 469 . 1 1 42 42 THR HG23 H 1 1.281 0.010 . 1 . . . . 60 T HG21 . 16802 1 470 . 1 1 42 42 THR C C 13 176.406 0.000 . 1 . . . . 60 T C . 16802 1 471 . 1 1 42 42 THR CA C 13 66.597 0.100 . 1 . . . . 60 T CA . 16802 1 472 . 1 1 42 42 THR CB C 13 68.781 0.099 . 1 . . . . 60 T CB . 16802 1 473 . 1 1 42 42 THR CG2 C 13 21.649 0.027 . 1 . . . . 60 T CG2 . 16802 1 474 . 1 1 42 42 THR N N 15 114.151 0.050 . 1 . . . . 60 T N . 16802 1 475 . 1 1 43 43 ASP H H 1 8.010 0.005 . 1 . . . . 61 D H . 16802 1 476 . 1 1 43 43 ASP HA H 1 4.449 0.012 . 1 . . . . 61 D HA . 16802 1 477 . 1 1 43 43 ASP HB2 H 1 2.807 0.012 . 2 . . . . 61 D HB1 . 16802 1 478 . 1 1 43 43 ASP HB3 H 1 2.649 0.011 . 2 . . . . 61 D HB2 . 16802 1 479 . 1 1 43 43 ASP C C 13 178.880 0.000 . 1 . . . . 61 D C . 16802 1 480 . 1 1 43 43 ASP CA C 13 57.176 0.071 . 1 . . . . 61 D CA . 16802 1 481 . 1 1 43 43 ASP CB C 13 40.711 0.066 . 1 . . . . 61 D CB . 16802 1 482 . 1 1 43 43 ASP N N 15 122.922 0.066 . 1 . . . . 61 D N . 16802 1 483 . 1 1 44 44 LEU H H 1 8.241 0.008 . 1 . . . . 62 L H . 16802 1 484 . 1 1 44 44 LEU HA H 1 3.898 0.016 . 1 . . . . 62 L HA . 16802 1 485 . 1 1 44 44 LEU HB2 H 1 1.881 0.008 . 2 . . . . 62 L HB1 . 16802 1 486 . 1 1 44 44 LEU HB3 H 1 1.129 0.014 . 2 . . . . 62 L HB2 . 16802 1 487 . 1 1 44 44 LEU HD11 H 1 0.699 0.014 . 2 . . . . 62 L HD11 . 16802 1 488 . 1 1 44 44 LEU HD12 H 1 0.699 0.014 . 2 . . . . 62 L HD11 . 16802 1 489 . 1 1 44 44 LEU HD13 H 1 0.699 0.014 . 2 . . . . 62 L HD11 . 16802 1 490 . 1 1 44 44 LEU HD21 H 1 0.326 0.014 . 2 . . . . 62 L HD21 . 16802 1 491 . 1 1 44 44 LEU HD22 H 1 0.326 0.014 . 2 . . . . 62 L HD21 . 16802 1 492 . 1 1 44 44 LEU HD23 H 1 0.326 0.014 . 2 . . . . 62 L HD21 . 16802 1 493 . 1 1 44 44 LEU HG H 1 1.783 0.010 . 1 . . . . 62 L HG . 16802 1 494 . 1 1 44 44 LEU C C 13 178.816 0.000 . 1 . . . . 62 L C . 16802 1 495 . 1 1 44 44 LEU CA C 13 58.187 0.059 . 1 . . . . 62 L CA . 16802 1 496 . 1 1 44 44 LEU CB C 13 41.689 0.058 . 1 . . . . 62 L CB . 16802 1 497 . 1 1 44 44 LEU CD1 C 13 26.743 0.021 . 2 . . . . 62 L CD1 . 16802 1 498 . 1 1 44 44 LEU CD2 C 13 22.561 0.025 . 2 . . . . 62 L CD2 . 16802 1 499 . 1 1 44 44 LEU CG C 13 26.703 0.044 . 1 . . . . 62 L CG . 16802 1 500 . 1 1 44 44 LEU N N 15 120.629 0.054 . 1 . . . . 62 L N . 16802 1 501 . 1 1 45 45 ARG H H 1 8.531 0.010 . 1 . . . . 63 R H . 16802 1 502 . 1 1 45 45 ARG HA H 1 3.829 0.009 . 1 . . . . 63 R HA . 16802 1 503 . 1 1 45 45 ARG HB2 H 1 2.244 0.015 . 2 . . . . 63 R HB1 . 16802 1 504 . 1 1 45 45 ARG HB3 H 1 1.977 0.012 . 2 . . . . 63 R HB2 . 16802 1 505 . 1 1 45 45 ARG HD2 H 1 3.546 0.010 . 2 . . . . 63 R HD1 . 16802 1 506 . 1 1 45 45 ARG HD3 H 1 3.309 0.012 . 2 . . . . 63 R HD2 . 16802 1 507 . 1 1 45 45 ARG HG2 H 1 1.335 0.015 . 1 . . . . 63 R HG# . 16802 1 508 . 1 1 45 45 ARG HG3 H 1 1.335 0.015 . 1 . . . . 63 R HG# . 16802 1 509 . 1 1 45 45 ARG C C 13 178.206 0.000 . 1 . . . . 63 R C . 16802 1 510 . 1 1 45 45 ARG CA C 13 61.246 0.070 . 1 . . . . 63 R CA . 16802 1 511 . 1 1 45 45 ARG CB C 13 31.193 0.041 . 1 . . . . 63 R CB . 16802 1 512 . 1 1 45 45 ARG CD C 13 43.971 0.044 . 1 . . . . 63 R CD . 16802 1 513 . 1 1 45 45 ARG CG C 13 29.549 0.066 . 1 . . . . 63 R CG . 16802 1 514 . 1 1 45 45 ARG N N 15 118.588 0.064 . 1 . . . . 63 R N . 16802 1 515 . 1 1 46 46 GLN H H 1 7.888 0.005 . 1 . . . . 64 Q H . 16802 1 516 . 1 1 46 46 GLN HA H 1 4.059 0.010 . 1 . . . . 64 Q HA . 16802 1 517 . 1 1 46 46 GLN HB2 H 1 2.325 0.003 . 2 . . . . 64 Q HB1 . 16802 1 518 . 1 1 46 46 GLN HB3 H 1 2.237 0.000 . 2 . . . . 64 Q HB2 . 16802 1 519 . 1 1 46 46 GLN HE21 H 1 6.658 0.003 . 2 . . . . 64 Q HE21 . 16802 1 520 . 1 1 46 46 GLN HE22 H 1 5.911 0.000 . 2 . . . . 64 Q HE22 . 16802 1 521 . 1 1 46 46 GLN HG2 H 1 2.485 0.015 . 1 . . . . 64 Q HG# . 16802 1 522 . 1 1 46 46 GLN HG3 H 1 2.485 0.015 . 1 . . . . 64 Q HG# . 16802 1 523 . 1 1 46 46 GLN C C 13 178.085 0.000 . 1 . . . . 64 Q C . 16802 1 524 . 1 1 46 46 GLN CA C 13 58.788 0.087 . 1 . . . . 64 Q CA . 16802 1 525 . 1 1 46 46 GLN CB C 13 27.666 0.113 . 1 . . . . 64 Q CB . 16802 1 526 . 1 1 46 46 GLN CG C 13 33.295 0.135 . 1 . . . . 64 Q CG . 16802 1 527 . 1 1 46 46 GLN N N 15 118.090 0.052 . 1 . . . . 64 Q N . 16802 1 528 . 1 1 46 46 GLN NE2 N 15 110.215 0.054 . 1 . . . . 64 Q NE2 . 16802 1 529 . 1 1 47 47 LYS H H 1 7.939 0.009 . 1 . . . . 65 K H . 16802 1 530 . 1 1 47 47 LYS HA H 1 4.279 0.012 . 1 . . . . 65 K HA . 16802 1 531 . 1 1 47 47 LYS HB2 H 1 2.035 0.014 . 1 . . . . 65 K HB# . 16802 1 532 . 1 1 47 47 LYS HB3 H 1 2.035 0.014 . 1 . . . . 65 K HB# . 16802 1 533 . 1 1 47 47 LYS HD2 H 1 1.849 0.012 . 2 . . . . 65 K HD1 . 16802 1 534 . 1 1 47 47 LYS HD3 H 1 1.749 0.012 . 2 . . . . 65 K HD2 . 16802 1 535 . 1 1 47 47 LYS HE2 H 1 3.088 0.011 . 2 . . . . 65 K HE1 . 16802 1 536 . 1 1 47 47 LYS HE3 H 1 2.968 0.010 . 2 . . . . 65 K HE2 . 16802 1 537 . 1 1 47 47 LYS HG2 H 1 1.794 0.012 . 2 . . . . 65 K HG1 . 16802 1 538 . 1 1 47 47 LYS HG3 H 1 1.567 0.011 . 2 . . . . 65 K HG2 . 16802 1 539 . 1 1 47 47 LYS C C 13 178.525 0.000 . 1 . . . . 65 K C . 16802 1 540 . 1 1 47 47 LYS CA C 13 57.672 0.076 . 1 . . . . 65 K CA . 16802 1 541 . 1 1 47 47 LYS CB C 13 30.781 0.046 . 1 . . . . 65 K CB . 16802 1 542 . 1 1 47 47 LYS CD C 13 27.325 0.099 . 1 . . . . 65 K CD . 16802 1 543 . 1 1 47 47 LYS CE C 13 41.663 0.083 . 1 . . . . 65 K CE . 16802 1 544 . 1 1 47 47 LYS CG C 13 24.371 0.040 . 1 . . . . 65 K CG . 16802 1 545 . 1 1 47 47 LYS N N 15 119.811 0.036 . 1 . . . . 65 K N . 16802 1 546 . 1 1 48 48 VAL H H 1 8.221 0.005 . 1 . . . . 66 V H . 16802 1 547 . 1 1 48 48 VAL HA H 1 3.516 0.014 . 1 . . . . 66 V HA . 16802 1 548 . 1 1 48 48 VAL HB H 1 2.446 0.012 . 1 . . . . 66 V HB . 16802 1 549 . 1 1 48 48 VAL HG11 H 1 1.085 0.010 . 2 . . . . 66 V HG11 . 16802 1 550 . 1 1 48 48 VAL HG12 H 1 1.085 0.010 . 2 . . . . 66 V HG11 . 16802 1 551 . 1 1 48 48 VAL HG13 H 1 1.085 0.010 . 2 . . . . 66 V HG11 . 16802 1 552 . 1 1 48 48 VAL HG21 H 1 1.021 0.013 . 2 . . . . 66 V HG21 . 16802 1 553 . 1 1 48 48 VAL HG22 H 1 1.021 0.013 . 2 . . . . 66 V HG21 . 16802 1 554 . 1 1 48 48 VAL HG23 H 1 1.021 0.013 . 2 . . . . 66 V HG21 . 16802 1 555 . 1 1 48 48 VAL C C 13 180.017 0.000 . 1 . . . . 66 V C . 16802 1 556 . 1 1 48 48 VAL CA C 13 67.692 0.066 . 1 . . . . 66 V CA . 16802 1 557 . 1 1 48 48 VAL CB C 13 31.452 0.057 . 1 . . . . 66 V CB . 16802 1 558 . 1 1 48 48 VAL CG1 C 13 23.208 0.042 . 2 . . . . 66 V CG1 . 16802 1 559 . 1 1 48 48 VAL CG2 C 13 23.326 0.012 . 2 . . . . 66 V CG2 . 16802 1 560 . 1 1 48 48 VAL N N 15 118.693 0.030 . 1 . . . . 66 V N . 16802 1 561 . 1 1 49 49 TYR H H 1 8.348 0.008 . 1 . . . . 67 Y H . 16802 1 562 . 1 1 49 49 TYR HA H 1 4.093 0.015 . 1 . . . . 67 Y HA . 16802 1 563 . 1 1 49 49 TYR HB2 H 1 3.331 0.016 . 2 . . . . 67 Y HB1 . 16802 1 564 . 1 1 49 49 TYR HB3 H 1 3.100 0.016 . 2 . . . . 67 Y HB2 . 16802 1 565 . 1 1 49 49 TYR HD1 H 1 6.663 0.012 . 3 . . . . 67 Y HD# . 16802 1 566 . 1 1 49 49 TYR HD2 H 1 6.663 0.012 . 3 . . . . 67 Y HD# . 16802 1 567 . 1 1 49 49 TYR HE1 H 1 6.157 0.007 . 3 . . . . 67 Y HE# . 16802 1 568 . 1 1 49 49 TYR HE2 H 1 6.157 0.007 . 3 . . . . 67 Y HE# . 16802 1 569 . 1 1 49 49 TYR C C 13 177.327 0.000 . 1 . . . . 67 Y C . 16802 1 570 . 1 1 49 49 TYR CA C 13 62.499 0.070 . 1 . . . . 67 Y CA . 16802 1 571 . 1 1 49 49 TYR CB C 13 38.302 0.056 . 1 . . . . 67 Y CB . 16802 1 572 . 1 1 49 49 TYR N N 15 119.518 0.030 . 1 . . . . 67 Y N . 16802 1 573 . 1 1 50 50 GLU H H 1 8.649 0.004 . 1 . . . . 68 E H . 16802 1 574 . 1 1 50 50 GLU HA H 1 3.809 0.011 . 1 . . . . 68 E HA . 16802 1 575 . 1 1 50 50 GLU HB2 H 1 2.309 0.011 . 2 . . . . 68 E HB1 . 16802 1 576 . 1 1 50 50 GLU HB3 H 1 2.133 0.017 . 2 . . . . 68 E HB2 . 16802 1 577 . 1 1 50 50 GLU HG2 H 1 2.705 0.010 . 2 . . . . 68 E HG1 . 16802 1 578 . 1 1 50 50 GLU HG3 H 1 2.298 0.010 . 2 . . . . 68 E HG2 . 16802 1 579 . 1 1 50 50 GLU C C 13 177.349 0.000 . 1 . . . . 68 E C . 16802 1 580 . 1 1 50 50 GLU CA C 13 59.594 0.052 . 1 . . . . 68 E CA . 16802 1 581 . 1 1 50 50 GLU CB C 13 29.749 0.062 . 1 . . . . 68 E CB . 16802 1 582 . 1 1 50 50 GLU CG C 13 36.645 0.023 . 1 . . . . 68 E CG . 16802 1 583 . 1 1 50 50 GLU N N 15 119.672 0.044 . 1 . . . . 68 E N . 16802 1 584 . 1 1 51 51 LEU H H 1 8.342 0.005 . 1 . . . . 69 L H . 16802 1 585 . 1 1 51 51 LEU HA H 1 3.969 0.012 . 1 . . . . 69 L HA . 16802 1 586 . 1 1 51 51 LEU HB2 H 1 1.970 0.012 . 2 . . . . 69 L HB1 . 16802 1 587 . 1 1 51 51 LEU HB3 H 1 1.083 0.015 . 2 . . . . 69 L HB2 . 16802 1 588 . 1 1 51 51 LEU HD11 H 1 0.633 0.018 . 2 . . . . 69 L HD11 . 16802 1 589 . 1 1 51 51 LEU HD12 H 1 0.633 0.018 . 2 . . . . 69 L HD11 . 16802 1 590 . 1 1 51 51 LEU HD13 H 1 0.633 0.018 . 2 . . . . 69 L HD11 . 16802 1 591 . 1 1 51 51 LEU HD21 H 1 0.391 0.011 . 2 . . . . 69 L HD21 . 16802 1 592 . 1 1 51 51 LEU HD22 H 1 0.391 0.011 . 2 . . . . 69 L HD21 . 16802 1 593 . 1 1 51 51 LEU HD23 H 1 0.391 0.011 . 2 . . . . 69 L HD21 . 16802 1 594 . 1 1 51 51 LEU HG H 1 1.804 0.012 . 1 . . . . 69 L HG . 16802 1 595 . 1 1 51 51 LEU C C 13 179.808 0.000 . 1 . . . . 69 L C . 16802 1 596 . 1 1 51 51 LEU CA C 13 57.815 0.073 . 1 . . . . 69 L CA . 16802 1 597 . 1 1 51 51 LEU CB C 13 42.477 0.033 . 1 . . . . 69 L CB . 16802 1 598 . 1 1 51 51 LEU CD1 C 13 27.363 0.035 . 2 . . . . 69 L CD1 . 16802 1 599 . 1 1 51 51 LEU CD2 C 13 22.363 0.013 . 2 . . . . 69 L CD2 . 16802 1 600 . 1 1 51 51 LEU CG C 13 27.118 0.077 . 1 . . . . 69 L CG . 16802 1 601 . 1 1 51 51 LEU N N 15 119.534 0.031 . 1 . . . . 69 L N . 16802 1 602 . 1 1 52 52 MET H H 1 8.450 0.005 . 1 . . . . 70 M H . 16802 1 603 . 1 1 52 52 MET HA H 1 4.074 0.012 . 1 . . . . 70 M HA . 16802 1 604 . 1 1 52 52 MET HB2 H 1 2.273 0.012 . 2 . . . . 70 M HB1 . 16802 1 605 . 1 1 52 52 MET HB3 H 1 2.199 0.013 . 2 . . . . 70 M HB2 . 16802 1 606 . 1 1 52 52 MET HE1 H 1 2.228 0.004 . 1 . . . . 70 M HE1 . 16802 1 607 . 1 1 52 52 MET HE2 H 1 2.228 0.004 . 1 . . . . 70 M HE1 . 16802 1 608 . 1 1 52 52 MET HE3 H 1 2.228 0.004 . 1 . . . . 70 M HE1 . 16802 1 609 . 1 1 52 52 MET HG2 H 1 2.934 0.011 . 2 . . . . 70 M HG1 . 16802 1 610 . 1 1 52 52 MET HG3 H 1 2.412 0.012 . 2 . . . . 70 M HG2 . 16802 1 611 . 1 1 52 52 MET C C 13 176.127 0.000 . 1 . . . . 70 M C . 16802 1 612 . 1 1 52 52 MET CA C 13 59.856 0.071 . 1 . . . . 70 M CA . 16802 1 613 . 1 1 52 52 MET CB C 13 32.818 0.028 . 1 . . . . 70 M CB . 16802 1 614 . 1 1 52 52 MET CE C 13 17.186 0.001 . 1 . . . . 70 M CE . 16802 1 615 . 1 1 52 52 MET CG C 13 32.840 0.020 . 1 . . . . 70 M CG . 16802 1 616 . 1 1 52 52 MET N N 15 119.648 0.040 . 1 . . . . 70 M N . 16802 1 617 . 1 1 53 53 GLN H H 1 8.310 0.005 . 1 . . . . 71 Q H . 16802 1 618 . 1 1 53 53 GLN HA H 1 4.069 0.015 . 1 . . . . 71 Q HA . 16802 1 619 . 1 1 53 53 GLN HB2 H 1 2.044 0.017 . 1 . . . . 71 Q HB# . 16802 1 620 . 1 1 53 53 GLN HB3 H 1 2.044 0.017 . 1 . . . . 71 Q HB# . 16802 1 621 . 1 1 53 53 GLN HG2 H 1 1.993 0.006 . 2 . . . . 71 Q HG1 . 16802 1 622 . 1 1 53 53 GLN HG3 H 1 1.861 0.009 . 2 . . . . 71 Q HG2 . 16802 1 623 . 1 1 53 53 GLN C C 13 177.910 0.000 . 1 . . . . 71 Q C . 16802 1 624 . 1 1 53 53 GLN CA C 13 57.776 0.053 . 1 . . . . 71 Q CA . 16802 1 625 . 1 1 53 53 GLN CB C 13 27.678 0.035 . 1 . . . . 71 Q CB . 16802 1 626 . 1 1 53 53 GLN CG C 13 32.816 0.066 . 1 . . . . 71 Q CG . 16802 1 627 . 1 1 53 53 GLN N N 15 119.946 0.058 . 1 . . . . 71 Q N . 16802 1 628 . 1 1 54 54 GLU H H 1 7.534 0.002 . 1 . . . . 72 E H . 16802 1 629 . 1 1 54 54 GLU HA H 1 4.251 0.012 . 1 . . . . 72 E HA . 16802 1 630 . 1 1 54 54 GLU HB2 H 1 2.178 0.008 . 1 . . . . 72 E HB# . 16802 1 631 . 1 1 54 54 GLU HB3 H 1 2.178 0.008 . 1 . . . . 72 E HB# . 16802 1 632 . 1 1 54 54 GLU HG2 H 1 2.486 0.012 . 2 . . . . 72 E HG1 . 16802 1 633 . 1 1 54 54 GLU HG3 H 1 2.308 0.007 . 2 . . . . 72 E HG2 . 16802 1 634 . 1 1 54 54 GLU C C 13 176.950 0.000 . 1 . . . . 72 E C . 16802 1 635 . 1 1 54 54 GLU CA C 13 56.803 0.065 . 1 . . . . 72 E CA . 16802 1 636 . 1 1 54 54 GLU CB C 13 30.223 0.062 . 1 . . . . 72 E CB . 16802 1 637 . 1 1 54 54 GLU CG C 13 36.391 0.022 . 1 . . . . 72 E CG . 16802 1 638 . 1 1 54 54 GLU N N 15 117.325 0.040 . 1 . . . . 72 E N . 16802 1 639 . 1 1 55 55 GLY H H 1 7.773 0.005 . 1 . . . . 73 G H . 16802 1 640 . 1 1 55 55 GLY HA2 H 1 4.244 0.012 . 2 . . . . 73 G HA1 . 16802 1 641 . 1 1 55 55 GLY HA3 H 1 3.742 0.011 . 2 . . . . 73 G HA2 . 16802 1 642 . 1 1 55 55 GLY C C 13 175.156 0.000 . 1 . . . . 73 G C . 16802 1 643 . 1 1 55 55 GLY CA C 13 45.148 0.070 . 1 . . . . 73 G CA . 16802 1 644 . 1 1 55 55 GLY N N 15 106.325 0.034 . 1 . . . . 73 G N . 16802 1 645 . 1 1 56 56 LYS H H 1 7.360 0.003 . 1 . . . . 74 K H . 16802 1 646 . 1 1 56 56 LYS HA H 1 4.338 0.012 . 1 . . . . 74 K HA . 16802 1 647 . 1 1 56 56 LYS HB2 H 1 1.759 0.011 . 2 . . . . 74 K HB1 . 16802 1 648 . 1 1 56 56 LYS HB3 H 1 1.505 0.016 . 2 . . . . 74 K HB2 . 16802 1 649 . 1 1 56 56 LYS HD2 H 1 1.529 0.009 . 1 . . . . 74 K HD# . 16802 1 650 . 1 1 56 56 LYS HD3 H 1 1.529 0.009 . 1 . . . . 74 K HD# . 16802 1 651 . 1 1 56 56 LYS HE2 H 1 2.856 0.012 . 1 . . . . 74 K HE# . 16802 1 652 . 1 1 56 56 LYS HE3 H 1 2.856 0.012 . 1 . . . . 74 K HE# . 16802 1 653 . 1 1 56 56 LYS HG2 H 1 1.441 0.023 . 1 . . . . 74 K HG# . 16802 1 654 . 1 1 56 56 LYS HG3 H 1 1.441 0.023 . 1 . . . . 74 K HG# . 16802 1 655 . 1 1 56 56 LYS C C 13 175.986 0.000 . 1 . . . . 74 K C . 16802 1 656 . 1 1 56 56 LYS CA C 13 56.066 0.076 . 1 . . . . 74 K CA . 16802 1 657 . 1 1 56 56 LYS CB C 13 32.859 0.039 . 1 . . . . 74 K CB . 16802 1 658 . 1 1 56 56 LYS CD C 13 28.572 0.046 . 1 . . . . 74 K CD . 16802 1 659 . 1 1 56 56 LYS CE C 13 42.224 0.079 . 1 . . . . 74 K CE . 16802 1 660 . 1 1 56 56 LYS CG C 13 26.286 0.035 . 1 . . . . 74 K CG . 16802 1 661 . 1 1 56 56 LYS N N 15 119.749 0.033 . 1 . . . . 74 K N . 16802 1 662 . 1 1 57 57 SER H H 1 9.037 0.003 . 1 . . . . 75 S H . 16802 1 663 . 1 1 57 57 SER HA H 1 4.471 0.015 . 1 . . . . 75 S HA . 16802 1 664 . 1 1 57 57 SER HB2 H 1 4.082 0.011 . 2 . . . . 75 S HB1 . 16802 1 665 . 1 1 57 57 SER HB3 H 1 4.336 0.010 . 2 . . . . 75 S HB2 . 16802 1 666 . 1 1 57 57 SER C C 13 174.311 0.000 . 1 . . . . 75 S C . 16802 1 667 . 1 1 57 57 SER CA C 13 57.006 0.077 . 1 . . . . 75 S CA . 16802 1 668 . 1 1 57 57 SER CB C 13 65.596 0.141 . 1 . . . . 75 S CB . 16802 1 669 . 1 1 57 57 SER N N 15 118.123 0.031 . 1 . . . . 75 S N . 16802 1 670 . 1 1 58 58 LYS H H 1 8.748 0.005 . 1 . . . . 76 K H . 16802 1 671 . 1 1 58 58 LYS HA H 1 3.789 0.011 . 1 . . . . 76 K HA . 16802 1 672 . 1 1 58 58 LYS HB2 H 1 1.965 0.009 . 1 . . . . 76 K HB# . 16802 1 673 . 1 1 58 58 LYS HB3 H 1 1.965 0.009 . 1 . . . . 76 K HB# . 16802 1 674 . 1 1 58 58 LYS HD2 H 1 1.745 0.013 . 1 . . . . 76 K HD# . 16802 1 675 . 1 1 58 58 LYS HD3 H 1 1.745 0.013 . 1 . . . . 76 K HD# . 16802 1 676 . 1 1 58 58 LYS HE2 H 1 2.974 0.016 . 2 . . . . 76 K HE1 . 16802 1 677 . 1 1 58 58 LYS HE3 H 1 2.831 0.009 . 2 . . . . 76 K HE2 . 16802 1 678 . 1 1 58 58 LYS HG2 H 1 1.434 0.015 . 2 . . . . 76 K HG1 . 16802 1 679 . 1 1 58 58 LYS HG3 H 1 1.331 0.010 . 2 . . . . 76 K HG2 . 16802 1 680 . 1 1 58 58 LYS C C 13 177.632 0.000 . 1 . . . . 76 K C . 16802 1 681 . 1 1 58 58 LYS CA C 13 61.361 0.078 . 1 . . . . 76 K CA . 16802 1 682 . 1 1 58 58 LYS CB C 13 32.374 0.049 . 1 . . . . 76 K CB . 16802 1 683 . 1 1 58 58 LYS CD C 13 29.803 0.046 . 1 . . . . 76 K CD . 16802 1 684 . 1 1 58 58 LYS CE C 13 42.021 0.056 . 1 . . . . 76 K CE . 16802 1 685 . 1 1 58 58 LYS CG C 13 25.829 0.026 . 1 . . . . 76 K CG . 16802 1 686 . 1 1 58 58 LYS N N 15 120.559 0.031 . 1 . . . . 76 K N . 16802 1 687 . 1 1 59 59 LYS H H 1 8.239 0.003 . 1 . . . . 77 K H . 16802 1 688 . 1 1 59 59 LYS HA H 1 3.867 0.013 . 1 . . . . 77 K HA . 16802 1 689 . 1 1 59 59 LYS HB2 H 1 1.862 0.009 . 2 . . . . 77 K HB1 . 16802 1 690 . 1 1 59 59 LYS HB3 H 1 1.706 0.012 . 2 . . . . 77 K HB2 . 16802 1 691 . 1 1 59 59 LYS HD2 H 1 1.699 0.013 . 2 . . . . 77 K HD1 . 16802 1 692 . 1 1 59 59 LYS HD3 H 1 1.603 0.020 . 2 . . . . 77 K HD2 . 16802 1 693 . 1 1 59 59 LYS HE2 H 1 3.012 0.014 . 1 . . . . 77 K HE# . 16802 1 694 . 1 1 59 59 LYS HE3 H 1 3.012 0.014 . 1 . . . . 77 K HE# . 16802 1 695 . 1 1 59 59 LYS HG2 H 1 1.414 0.012 . 1 . . . . 77 K HG# . 16802 1 696 . 1 1 59 59 LYS HG3 H 1 1.414 0.012 . 1 . . . . 77 K HG# . 16802 1 697 . 1 1 59 59 LYS C C 13 177.910 0.000 . 1 . . . . 77 K C . 16802 1 698 . 1 1 59 59 LYS CA C 13 59.228 0.100 . 1 . . . . 77 K CA . 16802 1 699 . 1 1 59 59 LYS CB C 13 32.580 0.086 . 1 . . . . 77 K CB . 16802 1 700 . 1 1 59 59 LYS CD C 13 28.780 0.090 . 1 . . . . 77 K CD . 16802 1 701 . 1 1 59 59 LYS CE C 13 42.156 0.109 . 1 . . . . 77 K CE . 16802 1 702 . 1 1 59 59 LYS CG C 13 24.791 0.039 . 1 . . . . 77 K CG . 16802 1 703 . 1 1 59 59 LYS N N 15 116.954 0.043 . 1 . . . . 77 K N . 16802 1 704 . 1 1 60 60 GLU H H 1 7.516 0.005 . 1 . . . . 78 E H . 16802 1 705 . 1 1 60 60 GLU HA H 1 4.087 0.012 . 1 . . . . 78 E HA . 16802 1 706 . 1 1 60 60 GLU HB2 H 1 2.405 0.011 . 2 . . . . 78 E HB1 . 16802 1 707 . 1 1 60 60 GLU HB3 H 1 1.944 0.014 . 2 . . . . 78 E HB2 . 16802 1 708 . 1 1 60 60 GLU HG2 H 1 2.373 0.019 . 2 . . . . 78 E HG1 . 16802 1 709 . 1 1 60 60 GLU HG3 H 1 2.314 0.011 . 2 . . . . 78 E HG2 . 16802 1 710 . 1 1 60 60 GLU C C 13 177.416 0.000 . 1 . . . . 78 E C . 16802 1 711 . 1 1 60 60 GLU CA C 13 59.102 0.057 . 1 . . . . 78 E CA . 16802 1 712 . 1 1 60 60 GLU CB C 13 30.545 0.077 . 1 . . . . 78 E CB . 16802 1 713 . 1 1 60 60 GLU CG C 13 37.888 0.032 . 1 . . . . 78 E CG . 16802 1 714 . 1 1 60 60 GLU N N 15 116.994 0.068 . 1 . . . . 78 E N . 16802 1 715 . 1 1 61 61 ILE H H 1 8.478 0.005 . 1 . . . . 79 I H . 16802 1 716 . 1 1 61 61 ILE HA H 1 3.567 0.015 . 1 . . . . 79 I HA . 16802 1 717 . 1 1 61 61 ILE HB H 1 2.037 0.010 . 1 . . . . 79 I HB . 16802 1 718 . 1 1 61 61 ILE HD11 H 1 0.685 0.014 . 1 . . . . 79 I HD11 . 16802 1 719 . 1 1 61 61 ILE HD12 H 1 0.685 0.014 . 1 . . . . 79 I HD11 . 16802 1 720 . 1 1 61 61 ILE HD13 H 1 0.685 0.014 . 1 . . . . 79 I HD11 . 16802 1 721 . 1 1 61 61 ILE HG12 H 1 1.932 0.009 . 2 . . . . 79 I HG11 . 16802 1 722 . 1 1 61 61 ILE HG13 H 1 0.708 0.021 . 2 . . . . 79 I HG12 . 16802 1 723 . 1 1 61 61 ILE HG21 H 1 0.957 0.015 . 1 . . . . 79 I HG21 . 16802 1 724 . 1 1 61 61 ILE HG22 H 1 0.957 0.015 . 1 . . . . 79 I HG21 . 16802 1 725 . 1 1 61 61 ILE HG23 H 1 0.957 0.015 . 1 . . . . 79 I HG21 . 16802 1 726 . 1 1 61 61 ILE C C 13 180.345 0.000 . 1 . . . . 79 I C . 16802 1 727 . 1 1 61 61 ILE CA C 13 66.525 0.089 . 1 . . . . 79 I CA . 16802 1 728 . 1 1 61 61 ILE CB C 13 37.736 0.045 . 1 . . . . 79 I CB . 16802 1 729 . 1 1 61 61 ILE CD1 C 13 14.162 0.041 . 1 . . . . 79 I CD1 . 16802 1 730 . 1 1 61 61 ILE CG1 C 13 29.998 0.034 . 1 . . . . 79 I CG1 . 16802 1 731 . 1 1 61 61 ILE CG2 C 13 18.126 0.040 . 1 . . . . 79 I CG2 . 16802 1 732 . 1 1 61 61 ILE N N 15 121.109 0.041 . 1 . . . . 79 I N . 16802 1 733 . 1 1 62 62 VAL H H 1 8.472 0.004 . 1 . . . . 80 V H . 16802 1 734 . 1 1 62 62 VAL HA H 1 3.247 0.016 . 1 . . . . 80 V HA . 16802 1 735 . 1 1 62 62 VAL HB H 1 1.924 0.011 . 1 . . . . 80 V HB . 16802 1 736 . 1 1 62 62 VAL HG11 H 1 0.679 0.013 . 2 . . . . 80 V HG11 . 16802 1 737 . 1 1 62 62 VAL HG12 H 1 0.679 0.013 . 2 . . . . 80 V HG11 . 16802 1 738 . 1 1 62 62 VAL HG13 H 1 0.679 0.013 . 2 . . . . 80 V HG11 . 16802 1 739 . 1 1 62 62 VAL HG21 H 1 0.430 0.014 . 2 . . . . 80 V HG21 . 16802 1 740 . 1 1 62 62 VAL HG22 H 1 0.430 0.014 . 2 . . . . 80 V HG21 . 16802 1 741 . 1 1 62 62 VAL HG23 H 1 0.430 0.014 . 2 . . . . 80 V HG21 . 16802 1 742 . 1 1 62 62 VAL C C 13 177.383 0.000 . 1 . . . . 80 V C . 16802 1 743 . 1 1 62 62 VAL CA C 13 68.365 0.101 . 1 . . . . 80 V CA . 16802 1 744 . 1 1 62 62 VAL CB C 13 31.271 0.088 . 1 . . . . 80 V CB . 16802 1 745 . 1 1 62 62 VAL CG1 C 13 22.991 0.032 . 2 . . . . 80 V CG1 . 16802 1 746 . 1 1 62 62 VAL CG2 C 13 20.912 0.029 . 2 . . . . 80 V CG2 . 16802 1 747 . 1 1 62 62 VAL N N 15 121.022 0.050 . 1 . . . . 80 V N . 16802 1 748 . 1 1 63 63 ASP H H 1 8.347 0.004 . 1 . . . . 81 D H . 16802 1 749 . 1 1 63 63 ASP HA H 1 4.286 0.012 . 1 . . . . 81 D HA . 16802 1 750 . 1 1 63 63 ASP HB2 H 1 2.732 0.014 . 2 . . . . 81 D HB1 . 16802 1 751 . 1 1 63 63 ASP HB3 H 1 2.600 0.010 . 2 . . . . 81 D HB2 . 16802 1 752 . 1 1 63 63 ASP C C 13 179.379 0.000 . 1 . . . . 81 D C . 16802 1 753 . 1 1 63 63 ASP CA C 13 57.351 0.066 . 1 . . . . 81 D CA . 16802 1 754 . 1 1 63 63 ASP CB C 13 39.878 0.082 . 1 . . . . 81 D CB . 16802 1 755 . 1 1 63 63 ASP N N 15 117.384 0.033 . 1 . . . . 81 D N . 16802 1 756 . 1 1 64 64 TYR H H 1 8.038 0.004 . 1 . . . . 82 Y H . 16802 1 757 . 1 1 64 64 TYR HA H 1 4.127 0.009 . 1 . . . . 82 Y HA . 16802 1 758 . 1 1 64 64 TYR HB2 H 1 3.246 0.011 . 2 . . . . 82 Y HB1 . 16802 1 759 . 1 1 64 64 TYR HB3 H 1 3.163 0.018 . 2 . . . . 82 Y HB2 . 16802 1 760 . 1 1 64 64 TYR HD1 H 1 7.067 0.000 . 3 . . . . 82 Y HD# . 16802 1 761 . 1 1 64 64 TYR HD2 H 1 7.067 0.000 . 3 . . . . 82 Y HD# . 16802 1 762 . 1 1 64 64 TYR HE1 H 1 6.849 0.000 . 3 . . . . 82 Y HE# . 16802 1 763 . 1 1 64 64 TYR HE2 H 1 6.849 0.000 . 3 . . . . 82 Y HE# . 16802 1 764 . 1 1 64 64 TYR C C 13 177.598 0.000 . 1 . . . . 82 Y C . 16802 1 765 . 1 1 64 64 TYR CA C 13 61.514 0.071 . 1 . . . . 82 Y CA . 16802 1 766 . 1 1 64 64 TYR CB C 13 38.827 0.052 . 1 . . . . 82 Y CB . 16802 1 767 . 1 1 64 64 TYR N N 15 121.058 0.052 . 1 . . . . 82 Y N . 16802 1 768 . 1 1 65 65 MET H H 1 8.824 0.005 . 1 . . . . 83 M H . 16802 1 769 . 1 1 65 65 MET HA H 1 4.606 0.013 . 1 . . . . 83 M HA . 16802 1 770 . 1 1 65 65 MET HB2 H 1 2.371 0.015 . 2 . . . . 83 M HB1 . 16802 1 771 . 1 1 65 65 MET HB3 H 1 1.931 0.008 . 2 . . . . 83 M HB2 . 16802 1 772 . 1 1 65 65 MET HE1 H 1 1.907 0.000 . 1 . . . . 83 M HE1 . 16802 1 773 . 1 1 65 65 MET HE2 H 1 1.907 0.000 . 1 . . . . 83 M HE1 . 16802 1 774 . 1 1 65 65 MET HE3 H 1 1.907 0.000 . 1 . . . . 83 M HE1 . 16802 1 775 . 1 1 65 65 MET HG2 H 1 3.171 0.014 . 2 . . . . 83 M HG1 . 16802 1 776 . 1 1 65 65 MET HG3 H 1 2.513 0.016 . 2 . . . . 83 M HG2 . 16802 1 777 . 1 1 65 65 MET C C 13 179.039 0.000 . 1 . . . . 83 M C . 16802 1 778 . 1 1 65 65 MET CA C 13 56.752 0.082 . 1 . . . . 83 M CA . 16802 1 779 . 1 1 65 65 MET CB C 13 30.243 0.122 . 1 . . . . 83 M CB . 16802 1 780 . 1 1 65 65 MET CE C 13 17.748 0.009 . 1 . . . . 83 M CE . 16802 1 781 . 1 1 65 65 MET CG C 13 33.088 0.034 . 1 . . . . 83 M CG . 16802 1 782 . 1 1 65 65 MET N N 15 117.420 0.049 . 1 . . . . 83 M N . 16802 1 783 . 1 1 66 66 VAL H H 1 8.646 0.006 . 1 . . . . 84 V H . 16802 1 784 . 1 1 66 66 VAL HA H 1 3.701 0.013 . 1 . . . . 84 V HA . 16802 1 785 . 1 1 66 66 VAL HB H 1 2.184 0.014 . 1 . . . . 84 V HB . 16802 1 786 . 1 1 66 66 VAL HG11 H 1 1.070 0.015 . 2 . . . . 84 V HG11 . 16802 1 787 . 1 1 66 66 VAL HG12 H 1 1.070 0.015 . 2 . . . . 84 V HG11 . 16802 1 788 . 1 1 66 66 VAL HG13 H 1 1.070 0.015 . 2 . . . . 84 V HG11 . 16802 1 789 . 1 1 66 66 VAL HG21 H 1 1.012 0.016 . 2 . . . . 84 V HG21 . 16802 1 790 . 1 1 66 66 VAL HG22 H 1 1.012 0.016 . 2 . . . . 84 V HG21 . 16802 1 791 . 1 1 66 66 VAL HG23 H 1 1.012 0.016 . 2 . . . . 84 V HG21 . 16802 1 792 . 1 1 66 66 VAL C C 13 178.123 0.000 . 1 . . . . 84 V C . 16802 1 793 . 1 1 66 66 VAL CA C 13 65.727 0.085 . 1 . . . . 84 V CA . 16802 1 794 . 1 1 66 66 VAL CB C 13 31.813 0.053 . 1 . . . . 84 V CB . 16802 1 795 . 1 1 66 66 VAL CG1 C 13 22.173 0.026 . 2 . . . . 84 V CG1 . 16802 1 796 . 1 1 66 66 VAL CG2 C 13 21.076 0.030 . 2 . . . . 84 V CG2 . 16802 1 797 . 1 1 66 66 VAL N N 15 118.049 0.031 . 1 . . . . 84 V N . 16802 1 798 . 1 1 67 67 ALA H H 1 7.662 0.003 . 1 . . . . 85 A H . 16802 1 799 . 1 1 67 67 ALA HA H 1 4.163 0.012 . 1 . . . . 85 A HA . 16802 1 800 . 1 1 67 67 ALA HB1 H 1 1.411 0.010 . 1 . . . . 85 A HB1 . 16802 1 801 . 1 1 67 67 ALA HB2 H 1 1.411 0.010 . 1 . . . . 85 A HB1 . 16802 1 802 . 1 1 67 67 ALA HB3 H 1 1.411 0.010 . 1 . . . . 85 A HB1 . 16802 1 803 . 1 1 67 67 ALA C C 13 180.061 0.000 . 1 . . . . 85 A C . 16802 1 804 . 1 1 67 67 ALA CA C 13 54.690 0.042 . 1 . . . . 85 A CA . 16802 1 805 . 1 1 67 67 ALA CB C 13 18.712 0.174 . 1 . . . . 85 A CB . 16802 1 806 . 1 1 67 67 ALA N N 15 121.173 0.028 . 1 . . . . 85 A N . 16802 1 807 . 1 1 68 68 ARG H H 1 8.084 0.008 . 1 . . . . 86 R H . 16802 1 808 . 1 1 68 68 ARG HA H 1 4.024 0.012 . 1 . . . . 86 R HA . 16802 1 809 . 1 1 68 68 ARG HB2 H 1 1.134 0.010 . 2 . . . . 86 R HB1 . 16802 1 810 . 1 1 68 68 ARG HB3 H 1 1.056 0.017 . 2 . . . . 86 R HB2 . 16802 1 811 . 1 1 68 68 ARG HD2 H 1 2.717 0.011 . 1 . . . . 86 R HD# . 16802 1 812 . 1 1 68 68 ARG HD3 H 1 2.717 0.011 . 1 . . . . 86 R HD# . 16802 1 813 . 1 1 68 68 ARG HG2 H 1 0.891 0.016 . 2 . . . . 86 R HG1 . 16802 1 814 . 1 1 68 68 ARG HG3 H 1 0.779 0.002 . 2 . . . . 86 R HG2 . 16802 1 815 . 1 1 68 68 ARG C C 13 177.341 0.000 . 1 . . . . 86 R C . 16802 1 816 . 1 1 68 68 ARG CA C 13 56.960 0.075 . 1 . . . . 86 R CA . 16802 1 817 . 1 1 68 68 ARG CB C 13 30.559 0.050 . 1 . . . . 86 R CB . 16802 1 818 . 1 1 68 68 ARG CD C 13 42.482 0.034 . 1 . . . . 86 R CD . 16802 1 819 . 1 1 68 68 ARG CG C 13 26.747 0.069 . 1 . . . . 86 R CG . 16802 1 820 . 1 1 68 68 ARG N N 15 115.470 0.043 . 1 . . . . 86 R N . 16802 1 821 . 1 1 69 69 TYR H H 1 8.164 0.005 . 1 . . . . 87 Y H . 16802 1 822 . 1 1 69 69 TYR HA H 1 5.043 0.012 . 1 . . . . 87 Y HA . 16802 1 823 . 1 1 69 69 TYR HB2 H 1 3.456 0.012 . 2 . . . . 87 Y HB1 . 16802 1 824 . 1 1 69 69 TYR HB3 H 1 3.009 0.014 . 2 . . . . 87 Y HB2 . 16802 1 825 . 1 1 69 69 TYR HD1 H 1 7.291 0.006 . 3 . . . . 87 Y HD# . 16802 1 826 . 1 1 69 69 TYR HD2 H 1 7.291 0.006 . 3 . . . . 87 Y HD# . 16802 1 827 . 1 1 69 69 TYR HE1 H 1 6.841 0.008 . 3 . . . . 87 Y HE# . 16802 1 828 . 1 1 69 69 TYR HE2 H 1 6.841 0.008 . 3 . . . . 87 Y HE# . 16802 1 829 . 1 1 69 69 TYR C C 13 177.365 0.000 . 1 . . . . 87 Y C . 16802 1 830 . 1 1 69 69 TYR CA C 13 56.896 0.080 . 1 . . . . 87 Y CA . 16802 1 831 . 1 1 69 69 TYR CB C 13 38.547 0.036 . 1 . . . . 87 Y CB . 16802 1 832 . 1 1 69 69 TYR N N 15 116.464 0.035 . 1 . . . . 87 Y N . 16802 1 833 . 1 1 70 70 GLY H H 1 7.822 0.006 . 1 . . . . 88 G H . 16802 1 834 . 1 1 70 70 GLY HA2 H 1 4.318 0.012 . 2 . . . . 88 G HA1 . 16802 1 835 . 1 1 70 70 GLY HA3 H 1 4.165 0.011 . 2 . . . . 88 G HA2 . 16802 1 836 . 1 1 70 70 GLY C C 13 174.350 0.000 . 1 . . . . 88 G C . 16802 1 837 . 1 1 70 70 GLY CA C 13 47.412 0.063 . 1 . . . . 88 G CA . 16802 1 838 . 1 1 70 70 GLY N N 15 110.505 0.060 . 1 . . . . 88 G N . 16802 1 839 . 1 1 71 71 ASN H H 1 8.541 0.006 . 1 . . . . 89 N H . 16802 1 840 . 1 1 71 71 ASN HA H 1 4.601 0.013 . 1 . . . . 89 N HA . 16802 1 841 . 1 1 71 71 ASN HB2 H 1 2.546 0.010 . 1 . . . . 89 N HB# . 16802 1 842 . 1 1 71 71 ASN HB3 H 1 2.546 0.010 . 1 . . . . 89 N HB# . 16802 1 843 . 1 1 71 71 ASN HD21 H 1 7.311 0.001 . 2 . . . . 89 N HD21 . 16802 1 844 . 1 1 71 71 ASN HD22 H 1 6.726 0.000 . 2 . . . . 89 N HD22 . 16802 1 845 . 1 1 71 71 ASN C C 13 175.396 0.000 . 1 . . . . 89 N C . 16802 1 846 . 1 1 71 71 ASN CA C 13 54.331 0.067 . 1 . . . . 89 N CA . 16802 1 847 . 1 1 71 71 ASN CB C 13 37.564 0.079 . 1 . . . . 89 N CB . 16802 1 848 . 1 1 71 71 ASN N N 15 116.103 0.038 . 1 . . . . 89 N N . 16802 1 849 . 1 1 71 71 ASN ND2 N 15 111.980 0.036 . 1 . . . . 89 N ND2 . 16802 1 850 . 1 1 72 72 PHE H H 1 8.495 0.007 . 1 . . . . 90 F H . 16802 1 851 . 1 1 72 72 PHE HA H 1 4.762 0.011 . 1 . . . . 90 F HA . 16802 1 852 . 1 1 72 72 PHE HB2 H 1 3.258 0.016 . 2 . . . . 90 F HB1 . 16802 1 853 . 1 1 72 72 PHE HB3 H 1 3.136 0.017 . 2 . . . . 90 F HB2 . 16802 1 854 . 1 1 72 72 PHE HD1 H 1 7.287 0.003 . 3 . . . . 90 F HD# . 16802 1 855 . 1 1 72 72 PHE HD2 H 1 7.287 0.003 . 3 . . . . 90 F HD# . 16802 1 856 . 1 1 72 72 PHE C C 13 174.620 0.000 . 1 . . . . 90 F C . 16802 1 857 . 1 1 72 72 PHE CA C 13 58.375 0.064 . 1 . . . . 90 F CA . 16802 1 858 . 1 1 72 72 PHE CB C 13 41.816 0.051 . 1 . . . . 90 F CB . 16802 1 859 . 1 1 72 72 PHE N N 15 117.160 0.046 . 1 . . . . 90 F N . 16802 1 860 . 1 1 73 73 VAL H H 1 7.947 0.007 . 1 . . . . 91 V H . 16802 1 861 . 1 1 73 73 VAL HA H 1 5.225 0.014 . 1 . . . . 91 V HA . 16802 1 862 . 1 1 73 73 VAL HB H 1 1.983 0.012 . 1 . . . . 91 V HB . 16802 1 863 . 1 1 73 73 VAL HG11 H 1 0.905 0.011 . 2 . . . . 91 V HG11 . 16802 1 864 . 1 1 73 73 VAL HG12 H 1 0.905 0.011 . 2 . . . . 91 V HG11 . 16802 1 865 . 1 1 73 73 VAL HG13 H 1 0.905 0.011 . 2 . . . . 91 V HG11 . 16802 1 866 . 1 1 73 73 VAL HG21 H 1 0.868 0.013 . 2 . . . . 91 V HG21 . 16802 1 867 . 1 1 73 73 VAL HG22 H 1 0.868 0.013 . 2 . . . . 91 V HG21 . 16802 1 868 . 1 1 73 73 VAL HG23 H 1 0.868 0.013 . 2 . . . . 91 V HG21 . 16802 1 869 . 1 1 73 73 VAL CA C 13 59.742 0.073 . 1 . . . . 91 V CA . 16802 1 870 . 1 1 73 73 VAL CB C 13 35.401 0.049 . 1 . . . . 91 V CB . 16802 1 871 . 1 1 73 73 VAL CG1 C 13 22.208 0.049 . 2 . . . . 91 V CG1 . 16802 1 872 . 1 1 73 73 VAL CG2 C 13 22.332 0.012 . 2 . . . . 91 V CG2 . 16802 1 873 . 1 1 73 73 VAL N N 15 116.230 0.037 . 1 . . . . 91 V N . 16802 1 874 . 1 1 74 74 THR HA H 1 4.556 0.014 . 1 . . . . 92 T HA . 16802 1 875 . 1 1 74 74 THR HB H 1 4.026 0.010 . 1 . . . . 92 T HB . 16802 1 876 . 1 1 74 74 THR HG21 H 1 1.125 0.012 . 1 . . . . 92 T HG21 . 16802 1 877 . 1 1 74 74 THR HG22 H 1 1.125 0.012 . 1 . . . . 92 T HG21 . 16802 1 878 . 1 1 74 74 THR HG23 H 1 1.125 0.012 . 1 . . . . 92 T HG21 . 16802 1 879 . 1 1 74 74 THR C C 13 172.624 0.000 . 1 . . . . 92 T C . 16802 1 880 . 1 1 74 74 THR CA C 13 60.164 0.108 . 1 . . . . 92 T CA . 16802 1 881 . 1 1 74 74 THR CB C 13 71.106 0.066 . 1 . . . . 92 T CB . 16802 1 882 . 1 1 74 74 THR CG2 C 13 21.583 0.045 . 1 . . . . 92 T CG2 . 16802 1 883 . 1 1 75 75 TYR H H 1 8.637 0.010 . 1 . . . . 93 Y H . 16802 1 884 . 1 1 75 75 TYR HA H 1 5.022 0.013 . 1 . . . . 93 Y HA . 16802 1 885 . 1 1 75 75 TYR HB2 H 1 2.990 0.016 . 2 . . . . 93 Y HB1 . 16802 1 886 . 1 1 75 75 TYR HB3 H 1 2.721 0.010 . 2 . . . . 93 Y HB2 . 16802 1 887 . 1 1 75 75 TYR HD1 H 1 7.006 0.004 . 3 . . . . 93 Y HD# . 16802 1 888 . 1 1 75 75 TYR HD2 H 1 7.006 0.004 . 3 . . . . 93 Y HD# . 16802 1 889 . 1 1 75 75 TYR C C 13 173.969 0.000 . 1 . . . . 93 Y C . 16802 1 890 . 1 1 75 75 TYR CA C 13 56.866 0.059 . 1 . . . . 93 Y CA . 16802 1 891 . 1 1 75 75 TYR CB C 13 39.507 0.052 . 1 . . . . 93 Y CB . 16802 1 892 . 1 1 75 75 TYR N N 15 124.292 0.063 . 1 . . . . 93 Y N . 16802 1 893 . 1 1 76 76 ASP H H 1 8.570 0.007 . 1 . . . . 94 D H . 16802 1 894 . 1 1 76 76 ASP HA H 1 4.885 0.010 . 1 . . . . 94 D HA . 16802 1 895 . 1 1 76 76 ASP HB2 H 1 2.589 0.015 . 2 . . . . 94 D HB1 . 16802 1 896 . 1 1 76 76 ASP HB3 H 1 2.259 0.012 . 2 . . . . 94 D HB2 . 16802 1 897 . 1 1 76 76 ASP CA C 13 51.518 0.080 . 1 . . . . 94 D CA . 16802 1 898 . 1 1 76 76 ASP CB C 13 41.699 0.044 . 1 . . . . 94 D CB . 16802 1 899 . 1 1 76 76 ASP N N 15 128.010 0.059 . 1 . . . . 94 D N . 16802 1 900 . 1 1 77 77 PRO HA H 1 4.369 0.012 . 1 . . . . 95 P HA . 16802 1 901 . 1 1 77 77 PRO HB2 H 1 2.068 0.010 . 2 . . . . 95 P HB1 . 16802 1 902 . 1 1 77 77 PRO HB3 H 1 1.881 0.010 . 2 . . . . 95 P HB2 . 16802 1 903 . 1 1 77 77 PRO HD2 H 1 3.434 0.011 . 1 . . . . 95 P HD# . 16802 1 904 . 1 1 77 77 PRO HD3 H 1 3.434 0.011 . 1 . . . . 95 P HD# . 16802 1 905 . 1 1 77 77 PRO HG2 H 1 1.900 0.008 . 2 . . . . 95 P HG1 . 16802 1 906 . 1 1 77 77 PRO HG3 H 1 1.712 0.014 . 2 . . . . 95 P HG2 . 16802 1 907 . 1 1 77 77 PRO CA C 13 61.231 0.093 . 1 . . . . 95 P CA . 16802 1 908 . 1 1 77 77 PRO CB C 13 30.982 0.038 . 1 . . . . 95 P CB . 16802 1 909 . 1 1 77 77 PRO CD C 13 49.795 0.053 . 1 . . . . 95 P CD . 16802 1 910 . 1 1 77 77 PRO CG C 13 27.025 0.017 . 1 . . . . 95 P CG . 16802 1 911 . 1 1 78 78 PRO HA H 1 4.389 0.010 . 1 . . . . 96 P HA . 16802 1 912 . 1 1 78 78 PRO HB2 H 1 2.290 0.010 . 2 . . . . 96 P HB1 . 16802 1 913 . 1 1 78 78 PRO HB3 H 1 1.891 0.011 . 2 . . . . 96 P HB2 . 16802 1 914 . 1 1 78 78 PRO HD2 H 1 3.822 0.012 . 2 . . . . 96 P HD1 . 16802 1 915 . 1 1 78 78 PRO HD3 H 1 3.689 0.011 . 2 . . . . 96 P HD2 . 16802 1 916 . 1 1 78 78 PRO HG2 H 1 1.983 0.005 . 2 . . . . 96 P HG1 . 16802 1 917 . 1 1 78 78 PRO HG3 H 1 2.030 0.000 . 2 . . . . 96 P HG2 . 16802 1 918 . 1 1 78 78 PRO C C 13 176.948 0.000 . 1 . . . . 96 P C . 16802 1 919 . 1 1 78 78 PRO CA C 13 63.324 0.064 . 1 . . . . 96 P CA . 16802 1 920 . 1 1 78 78 PRO CB C 13 32.118 0.061 . 1 . . . . 96 P CB . 16802 1 921 . 1 1 78 78 PRO CD C 13 51.022 0.039 . 1 . . . . 96 P CD . 16802 1 922 . 1 1 78 78 PRO CG C 13 27.430 0.023 . 1 . . . . 96 P CG . 16802 1 923 . 1 1 79 79 LEU H H 1 8.276 0.005 . 1 . . . . 97 L H . 16802 1 924 . 1 1 79 79 LEU HA H 1 4.265 0.026 . 1 . . . . 97 L HA . 16802 1 925 . 1 1 79 79 LEU HB2 H 1 1.579 0.015 . 1 . . . . 97 L HB# . 16802 1 926 . 1 1 79 79 LEU HB3 H 1 1.579 0.015 . 1 . . . . 97 L HB# . 16802 1 927 . 1 1 79 79 LEU HD11 H 1 0.907 0.017 . 2 . . . . 97 L HD11 . 16802 1 928 . 1 1 79 79 LEU HD12 H 1 0.907 0.017 . 2 . . . . 97 L HD11 . 16802 1 929 . 1 1 79 79 LEU HD13 H 1 0.907 0.017 . 2 . . . . 97 L HD11 . 16802 1 930 . 1 1 79 79 LEU HD21 H 1 0.859 0.012 . 2 . . . . 97 L HD21 . 16802 1 931 . 1 1 79 79 LEU HD22 H 1 0.859 0.012 . 2 . . . . 97 L HD21 . 16802 1 932 . 1 1 79 79 LEU HD23 H 1 0.859 0.012 . 2 . . . . 97 L HD21 . 16802 1 933 . 1 1 79 79 LEU HG H 1 1.615 0.014 . 1 . . . . 97 L HG . 16802 1 934 . 1 1 79 79 LEU C C 13 177.489 0.000 . 1 . . . . 97 L C . 16802 1 935 . 1 1 79 79 LEU CA C 13 55.372 0.040 . 1 . . . . 97 L CA . 16802 1 936 . 1 1 79 79 LEU CB C 13 42.403 0.064 . 1 . . . . 97 L CB . 16802 1 937 . 1 1 79 79 LEU CD1 C 13 24.906 0.037 . 2 . . . . 97 L CD1 . 16802 1 938 . 1 1 79 79 LEU CD2 C 13 23.517 0.034 . 2 . . . . 97 L CD2 . 16802 1 939 . 1 1 79 79 LEU CG C 13 27.040 0.034 . 1 . . . . 97 L CG . 16802 1 940 . 1 1 79 79 LEU N N 15 122.025 0.053 . 1 . . . . 97 L N . 16802 1 941 . 1 1 80 80 THR H H 1 8.061 0.008 . 1 . . . . 98 T H . 16802 1 942 . 1 1 80 80 THR HA H 1 4.603 0.010 . 1 . . . . 98 T HA . 16802 1 943 . 1 1 80 80 THR HB H 1 4.158 0.010 . 1 . . . . 98 T HB . 16802 1 944 . 1 1 80 80 THR HG21 H 1 1.216 0.011 . 1 . . . . 98 T HG21 . 16802 1 945 . 1 1 80 80 THR HG22 H 1 1.216 0.011 . 1 . . . . 98 T HG21 . 16802 1 946 . 1 1 80 80 THR HG23 H 1 1.216 0.011 . 1 . . . . 98 T HG21 . 16802 1 947 . 1 1 80 80 THR CA C 13 59.463 0.060 . 1 . . . . 98 T CA . 16802 1 948 . 1 1 80 80 THR CB C 13 69.686 0.120 . 1 . . . . 98 T CB . 16802 1 949 . 1 1 80 80 THR CG2 C 13 21.378 0.044 . 1 . . . . 98 T CG2 . 16802 1 950 . 1 1 80 80 THR N N 15 116.403 0.093 . 1 . . . . 98 T N . 16802 1 951 . 1 1 81 81 PRO HA H 1 4.410 0.013 . 1 . . . . 99 P HA . 16802 1 952 . 1 1 81 81 PRO HB2 H 1 2.233 0.019 . 2 . . . . 99 P HB1 . 16802 1 953 . 1 1 81 81 PRO HB3 H 1 1.941 0.000 . 2 . . . . 99 P HB2 . 16802 1 954 . 1 1 81 81 PRO HD2 H 1 3.733 0.011 . 2 . . . . 99 P HD1 . 16802 1 955 . 1 1 81 81 PRO HD3 H 1 3.659 0.015 . 2 . . . . 99 P HD2 . 16802 1 956 . 1 1 81 81 PRO HG2 H 1 2.011 0.010 . 1 . . . . 99 P HG# . 16802 1 957 . 1 1 81 81 PRO HG3 H 1 2.011 0.010 . 1 . . . . 99 P HG# . 16802 1 958 . 1 1 81 81 PRO C C 13 176.935 0.000 . 1 . . . . 99 P C . 16802 1 959 . 1 1 81 81 PRO CA C 13 62.734 0.083 . 1 . . . . 99 P CA . 16802 1 960 . 1 1 81 81 PRO CB C 13 31.923 0.047 . 1 . . . . 99 P CB . 16802 1 961 . 1 1 81 81 PRO CD C 13 50.506 0.026 . 1 . . . . 99 P CD . 16802 1 962 . 1 1 81 81 PRO CG C 13 27.413 0.035 . 1 . . . . 99 P CG . 16802 1 stop_ save_