data_6927 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6927 _Entry.Title ; Spinophilin PDZ domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-12-19 _Entry.Accession_date 2005-12-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'spinophilin PDZ domain residues 494-602' _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 Matthew Kelker . S. . 6927 2 Wolfgang Peti . . . 6927 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6927 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 447 6927 '15N chemical shifts' 110 6927 '1H chemical shifts' 755 6927 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 3 . . 2007-03-23 2007-03-23 update BMRB 'relationship loop update' 6927 2 . . 2007-02-08 2007-02-08 update BMRB 'complete entry citation' 6927 1 . . 2006-05-02 2005-12-19 original author 'original release' 6927 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2G5M 'BMRB Entry Tracking System' 6927 . 15180 Spinophilin_PP1_binding_domain 6927 . 6933 'protein isoform (Neurabin PDZ)' 6927 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6927 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16607467 _Citation.Full_citation . _Citation.Title 'NMR assignment of the Spinophilin PDZ domain (493-602)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 24 _Citation.Page_last 24 _Citation.Year 2006 _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 Matthew Kelker . S. . 6927 1 2 Wolfgang Peti . . . 6927 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID PDZ 6927 1 spinophilin 6927 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6927 _Assembly.ID 1 _Assembly.Name 'spinophlin PDZ domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6927 1 stop_ 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 'spinophlin PDZ domain' 1 $spinophilin_PDZ_domain . . yes native no no . . . 6927 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_spinophilin_PDZ_domain _Entity.Sf_category entity _Entity.Sf_framecode spinophilin_PDZ_domain _Entity.Entry_ID 6927 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name spinophilin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMELFPVELEKDSEGLGIS IIGMGAGADMGLEKLGIFVK TVTEGGAAHRDGRIQVNDLL VEVDGTSLVGVTQSFAASVL RNTKGRVRFMIGRERPGEQS EVAQLIQQTLEQE ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11668 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 2G5M . "Spinophilin Pdz Domain" . . . . . 100.00 113 100.00 100.00 4.08e-72 . . . . 6927 1 2 no PDB 3EGG . "Crystal Structure Of A Complex Between Protein Phosphatase 1 Alpha (Pp1) And The Pp1 Binding And Pdz Domains Of Spinophilin" . . . . . 81.42 170 98.91 100.00 2.76e-55 . . . . 6927 1 3 no PDB 3EGH . "Crystal Structure Of A Complex Between Protein Phosphatase 1 Alpha (pp1), The Pp1 Binding And Pdz Domains Of Spinophilin And Th" . . . . . 82.30 170 97.85 98.92 2.53e-55 . . . . 6927 1 4 no DBJ BAG51442 . "unnamed protein product [Homo sapiens]" . . . . . 79.65 305 100.00 100.00 4.97e-54 . . . . 6927 1 5 no EMBL CAC37685 . "neurabin II protein [Homo sapiens]" . . . . . 100.00 817 97.35 98.23 6.56e-64 . . . . 6927 1 6 no EMBL CAD28455 . "hypothetical protein [Homo sapiens]" . . . . . 98.23 420 99.10 100.00 7.46e-68 . . . . 6927 1 7 no GB AAB72005 . "Spinophilin [Rattus norvegicus]" . . . . . 98.23 817 99.10 100.00 1.26e-65 . . . . 6927 1 8 no GB AAC05183 . "neurabin II [Rattus norvegicus]" . . . . . 98.23 817 99.10 100.00 1.26e-65 . . . . 6927 1 9 no GB AAH16162 . "PPP1R9B protein, partial [Homo sapiens]" . . . . . 87.61 314 100.00 100.00 3.21e-60 . . . . 6927 1 10 no GB AAH29672 . "Ppp1r9b protein [Mus musculus]" . . . . . 98.23 393 99.10 100.00 3.02e-68 . . . . 6927 1 11 no GB AAI60878 . "Protein phosphatase 1, regulatory subunit 9B [Rattus norvegicus]" . . . . . 98.23 817 99.10 100.00 1.31e-65 . . . . 6927 1 12 no REF NP_115984 . "neurabin-2 [Homo sapiens]" . . . . . 98.23 817 99.10 100.00 1.02e-65 . . . . 6927 1 13 no REF NP_445926 . "neurabin-2 [Rattus norvegicus]" . . . . . 98.23 817 99.10 100.00 1.26e-65 . . . . 6927 1 14 no REF NP_758465 . "neurabin-2 [Mus musculus]" . . . . . 98.23 817 99.10 100.00 1.44e-65 . . . . 6927 1 15 no REF XP_003131641 . "PREDICTED: neurabin-2 [Sus scrofa]" . . . . . 98.23 818 99.10 100.00 1.21e-65 . . . . 6927 1 16 no REF XP_003281307 . "PREDICTED: LOW QUALITY PROTEIN: neurabin-2 [Nomascus leucogenys]" . . . . . 98.23 1414 99.10 100.00 1.65e-64 . . . . 6927 1 17 no SP O35274 . "RecName: Full=Neurabin-2; AltName: Full=Neurabin-II; AltName: Full=Neural tissue-specific F-actin-binding protein II; AltName: " . . . . . 98.23 817 99.10 100.00 1.26e-65 . . . . 6927 1 18 no SP Q6R891 . "RecName: Full=Neurabin-2; AltName: Full=Neurabin-II; AltName: Full=Protein phosphatase 1 regulatory subunit 9B; AltName: Full=S" . . . . . 98.23 817 99.10 100.00 1.44e-65 . . . . 6927 1 19 no SP Q96SB3 . "RecName: Full=Neurabin-2; AltName: Full=Neurabin-II; AltName: Full=Protein phosphatase 1 regulatory subunit 9B; AltName: Full=S" . . . . . 98.23 815 99.10 100.00 1.01e-65 . . . . 6927 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 6927 1 2 . HIS . 6927 1 3 . MET . 6927 1 4 . GLU . 6927 1 5 . LEU . 6927 1 6 . PHE . 6927 1 7 . PRO . 6927 1 8 . VAL . 6927 1 9 . GLU . 6927 1 10 . LEU . 6927 1 11 . GLU . 6927 1 12 . LYS . 6927 1 13 . ASP . 6927 1 14 . SER . 6927 1 15 . GLU . 6927 1 16 . GLY . 6927 1 17 . LEU . 6927 1 18 . GLY . 6927 1 19 . ILE . 6927 1 20 . SER . 6927 1 21 . ILE . 6927 1 22 . ILE . 6927 1 23 . GLY . 6927 1 24 . MET . 6927 1 25 . GLY . 6927 1 26 . ALA . 6927 1 27 . GLY . 6927 1 28 . ALA . 6927 1 29 . ASP . 6927 1 30 . MET . 6927 1 31 . GLY . 6927 1 32 . LEU . 6927 1 33 . GLU . 6927 1 34 . LYS . 6927 1 35 . LEU . 6927 1 36 . GLY . 6927 1 37 . ILE . 6927 1 38 . PHE . 6927 1 39 . VAL . 6927 1 40 . LYS . 6927 1 41 . THR . 6927 1 42 . VAL . 6927 1 43 . THR . 6927 1 44 . GLU . 6927 1 45 . GLY . 6927 1 46 . GLY . 6927 1 47 . ALA . 6927 1 48 . ALA . 6927 1 49 . HIS . 6927 1 50 . ARG . 6927 1 51 . ASP . 6927 1 52 . GLY . 6927 1 53 . ARG . 6927 1 54 . ILE . 6927 1 55 . GLN . 6927 1 56 . VAL . 6927 1 57 . ASN . 6927 1 58 . ASP . 6927 1 59 . LEU . 6927 1 60 . LEU . 6927 1 61 . VAL . 6927 1 62 . GLU . 6927 1 63 . VAL . 6927 1 64 . ASP . 6927 1 65 . GLY . 6927 1 66 . THR . 6927 1 67 . SER . 6927 1 68 . LEU . 6927 1 69 . VAL . 6927 1 70 . GLY . 6927 1 71 . VAL . 6927 1 72 . THR . 6927 1 73 . GLN . 6927 1 74 . SER . 6927 1 75 . PHE . 6927 1 76 . ALA . 6927 1 77 . ALA . 6927 1 78 . SER . 6927 1 79 . VAL . 6927 1 80 . LEU . 6927 1 81 . ARG . 6927 1 82 . ASN . 6927 1 83 . THR . 6927 1 84 . LYS . 6927 1 85 . GLY . 6927 1 86 . ARG . 6927 1 87 . VAL . 6927 1 88 . ARG . 6927 1 89 . PHE . 6927 1 90 . MET . 6927 1 91 . ILE . 6927 1 92 . GLY . 6927 1 93 . ARG . 6927 1 94 . GLU . 6927 1 95 . ARG . 6927 1 96 . PRO . 6927 1 97 . GLY . 6927 1 98 . GLU . 6927 1 99 . GLN . 6927 1 100 . SER . 6927 1 101 . GLU . 6927 1 102 . VAL . 6927 1 103 . ALA . 6927 1 104 . GLN . 6927 1 105 . LEU . 6927 1 106 . ILE . 6927 1 107 . GLN . 6927 1 108 . GLN . 6927 1 109 . THR . 6927 1 110 . LEU . 6927 1 111 . GLU . 6927 1 112 . GLN . 6927 1 113 . GLU . 6927 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6927 1 . HIS 2 2 6927 1 . MET 3 3 6927 1 . GLU 4 4 6927 1 . LEU 5 5 6927 1 . PHE 6 6 6927 1 . PRO 7 7 6927 1 . VAL 8 8 6927 1 . GLU 9 9 6927 1 . LEU 10 10 6927 1 . GLU 11 11 6927 1 . LYS 12 12 6927 1 . ASP 13 13 6927 1 . SER 14 14 6927 1 . GLU 15 15 6927 1 . GLY 16 16 6927 1 . LEU 17 17 6927 1 . GLY 18 18 6927 1 . ILE 19 19 6927 1 . SER 20 20 6927 1 . ILE 21 21 6927 1 . ILE 22 22 6927 1 . GLY 23 23 6927 1 . MET 24 24 6927 1 . GLY 25 25 6927 1 . ALA 26 26 6927 1 . GLY 27 27 6927 1 . ALA 28 28 6927 1 . ASP 29 29 6927 1 . MET 30 30 6927 1 . GLY 31 31 6927 1 . LEU 32 32 6927 1 . GLU 33 33 6927 1 . LYS 34 34 6927 1 . LEU 35 35 6927 1 . GLY 36 36 6927 1 . ILE 37 37 6927 1 . PHE 38 38 6927 1 . VAL 39 39 6927 1 . LYS 40 40 6927 1 . THR 41 41 6927 1 . VAL 42 42 6927 1 . THR 43 43 6927 1 . GLU 44 44 6927 1 . GLY 45 45 6927 1 . GLY 46 46 6927 1 . ALA 47 47 6927 1 . ALA 48 48 6927 1 . HIS 49 49 6927 1 . ARG 50 50 6927 1 . ASP 51 51 6927 1 . GLY 52 52 6927 1 . ARG 53 53 6927 1 . ILE 54 54 6927 1 . GLN 55 55 6927 1 . VAL 56 56 6927 1 . ASN 57 57 6927 1 . ASP 58 58 6927 1 . LEU 59 59 6927 1 . LEU 60 60 6927 1 . VAL 61 61 6927 1 . GLU 62 62 6927 1 . VAL 63 63 6927 1 . ASP 64 64 6927 1 . GLY 65 65 6927 1 . THR 66 66 6927 1 . SER 67 67 6927 1 . LEU 68 68 6927 1 . VAL 69 69 6927 1 . GLY 70 70 6927 1 . VAL 71 71 6927 1 . THR 72 72 6927 1 . GLN 73 73 6927 1 . SER 74 74 6927 1 . PHE 75 75 6927 1 . ALA 76 76 6927 1 . ALA 77 77 6927 1 . SER 78 78 6927 1 . VAL 79 79 6927 1 . LEU 80 80 6927 1 . ARG 81 81 6927 1 . ASN 82 82 6927 1 . THR 83 83 6927 1 . LYS 84 84 6927 1 . GLY 85 85 6927 1 . ARG 86 86 6927 1 . VAL 87 87 6927 1 . ARG 88 88 6927 1 . PHE 89 89 6927 1 . MET 90 90 6927 1 . ILE 91 91 6927 1 . GLY 92 92 6927 1 . ARG 93 93 6927 1 . GLU 94 94 6927 1 . ARG 95 95 6927 1 . PRO 96 96 6927 1 . GLY 97 97 6927 1 . GLU 98 98 6927 1 . GLN 99 99 6927 1 . SER 100 100 6927 1 . GLU 101 101 6927 1 . VAL 102 102 6927 1 . ALA 103 103 6927 1 . GLN 104 104 6927 1 . LEU 105 105 6927 1 . ILE 106 106 6927 1 . GLN 107 107 6927 1 . GLN 108 108 6927 1 . THR 109 109 6927 1 . LEU 110 110 6927 1 . GLU 111 111 6927 1 . GLN 112 112 6927 1 . GLU 113 113 6927 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 6927 _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 $spinophilin_PDZ_domain . 10116 organism . 'Rattus norvegicus' rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 6927 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 6927 _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 $spinophilin_PDZ_domain . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6927 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6927 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM Na phohphate buffer, pH 6.5 50 mM NaCl 0.02% NaN3 ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system . _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 spinophilin . . . 1 $spinophilin_PDZ_domain . protein 2.0 . . mM . . . . 6927 1 2 'Na phohphate buffer' . . . . . . buffer 20 . . mM . . . . 6927 1 3 NaCl . . . . . . salt 50 . . mM . . . . 6927 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 6927 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6927 _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' 50 1 mM 6927 1 pH 6.5 0.2 pH 6927 1 temperature 298 0.2 K 6927 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6927 _Software.ID 1 _Software.Name CARA _Software.Version 1.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 6927 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 6927 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6927 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6927 1 2 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6927 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6927 1 4 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6927 1 5 HCCH_TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6927 1 6 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6927 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6927 _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 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6927 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6927 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6927 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6927 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H15N_HSQC 1 $sample_1 isotropic 6927 1 2 HNCA 1 $sample_1 isotropic 6927 1 3 HNCACB 1 $sample_1 isotropic 6927 1 4 CBCACONH 1 $sample_1 isotropic 6927 1 5 HCCH_TOCSY 1 $sample_1 isotropic 6927 1 6 HNCO 1 $sample_1 isotropic 6927 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6927 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 2 2 HIS HA H 1 4.691 0.001 . 1 . . . . 2 HIS HA . 6927 1 2 . 1 1 2 2 HIS HB2 H 1 3.037 0.002 . 1 . . . . 2 HIS QB . 6927 1 3 . 1 1 2 2 HIS HB3 H 1 3.037 0.002 . 1 . . . . 2 HIS QB . 6927 1 4 . 1 1 2 2 HIS HD2 H 1 7.666 0.002 . 1 . . . . 2 HIS HD2 . 6927 1 5 . 1 1 2 2 HIS HE1 H 1 7.011 0.015 . 1 . . . . 2 HIS HE1 . 6927 1 6 . 1 1 2 2 HIS CA C 13 55.279 0.25 . 1 . . . . 2 HIS CA . 6927 1 7 . 1 1 2 2 HIS CB C 13 30.091 0.25 . 1 . . . . 2 HIS CB . 6927 1 8 . 1 1 3 3 MET H H 1 8.492 0.015 . 1 . . . . 3 MET H . 6927 1 9 . 1 1 3 3 MET HA H 1 4.504 0.003 . 1 . . . . 3 MET HA . 6927 1 10 . 1 1 3 3 MET HB2 H 1 1.776 0.015 . 1 . . . . 3 MET HB2 . 6927 1 11 . 1 1 3 3 MET HB3 H 1 1.679 0.015 . 1 . . . . 3 MET HB3 . 6927 1 12 . 1 1 3 3 MET HG2 H 1 2.128 0.015 . 1 . . . . 3 MET HG2 . 6927 1 13 . 1 1 3 3 MET HG3 H 1 2.204 0.015 . 1 . . . . 3 MET HG3 . 6927 1 14 . 1 1 3 3 MET C C 13 175.347 0.25 . 1 . . . . 3 MET C . 6927 1 15 . 1 1 3 3 MET CA C 13 55.022 0.25 . 1 . . . . 3 MET CA . 6927 1 16 . 1 1 3 3 MET CB C 13 33.432 0.25 . 1 . . . . 3 MET CB . 6927 1 17 . 1 1 3 3 MET CG C 13 31.633 0.25 . 1 . . . . 3 MET CG . 6927 1 18 . 1 1 3 3 MET N N 15 123.019 0.06 . 1 . . . . 3 MET N . 6927 1 19 . 1 1 4 4 GLU H H 1 8.584 0.015 . 1 . . . . 4 GLU H . 6927 1 20 . 1 1 4 4 GLU HA H 1 4.429 0.015 . 1 . . . . 4 GLU HA . 6927 1 21 . 1 1 4 4 GLU HB2 H 1 2.025 0.013 . 1 . . . . 4 GLU HB2 . 6927 1 22 . 1 1 4 4 GLU HB3 H 1 1.888 0.006 . 1 . . . . 4 GLU HB3 . 6927 1 23 . 1 1 4 4 GLU HG2 H 1 2.219 0.001 . 1 . . . . 4 GLU HG2 . 6927 1 24 . 1 1 4 4 GLU HG3 H 1 2.148 0.015 . 1 . . . . 4 GLU HG3 . 6927 1 25 . 1 1 4 4 GLU C C 13 174.609 0.25 . 1 . . . . 4 GLU C . 6927 1 26 . 1 1 4 4 GLU CA C 13 55.279 0.25 . 1 . . . . 4 GLU CA . 6927 1 27 . 1 1 4 4 GLU CB C 13 31.119 0.25 . 1 . . . . 4 GLU CB . 6927 1 28 . 1 1 4 4 GLU CG C 13 36.259 0.25 . 1 . . . . 4 GLU CG . 6927 1 29 . 1 1 4 4 GLU N N 15 126.771 0.06 . 1 . . . . 4 GLU N . 6927 1 30 . 1 1 5 5 LEU H H 1 8.299 0.015 . 1 . . . . 5 LEU H . 6927 1 31 . 1 1 5 5 LEU HA H 1 5.599 0.001 . 1 . . . . 5 LEU HA . 6927 1 32 . 1 1 5 5 LEU HB2 H 1 1.214 0.015 . 1 . . . . 5 LEU HB2 . 6927 1 33 . 1 1 5 5 LEU HB3 H 1 1.472 0.015 . 1 . . . . 5 LEU HB3 . 6927 1 34 . 1 1 5 5 LEU HG H 1 1.364 0.005 . 1 . . . . 5 LEU HG . 6927 1 35 . 1 1 5 5 LEU HD11 H 1 0.668 0.002 . 2 . . . . 5 LEU QD1 . 6927 1 36 . 1 1 5 5 LEU HD12 H 1 0.668 0.002 . 2 . . . . 5 LEU QD1 . 6927 1 37 . 1 1 5 5 LEU HD13 H 1 0.668 0.002 . 2 . . . . 5 LEU QD1 . 6927 1 38 . 1 1 5 5 LEU HD21 H 1 0.585 0.015 . 2 . . . . 5 LEU QD2 . 6927 1 39 . 1 1 5 5 LEU HD22 H 1 0.585 0.015 . 2 . . . . 5 LEU QD2 . 6927 1 40 . 1 1 5 5 LEU HD23 H 1 0.585 0.015 . 2 . . . . 5 LEU QD2 . 6927 1 41 . 1 1 5 5 LEU C C 13 177.689 0.25 . 1 . . . . 5 LEU C . 6927 1 42 . 1 1 5 5 LEU CA C 13 53.223 0.25 . 1 . . . . 5 LEU CA . 6927 1 43 . 1 1 5 5 LEU CB C 13 44.484 0.25 . 1 . . . . 5 LEU CB . 6927 1 44 . 1 1 5 5 LEU CG C 13 27.520 0.25 . 1 . . . . 5 LEU CG . 6927 1 45 . 1 1 5 5 LEU CD1 C 13 24.950 0.25 . 1 . . . . 5 LEU CD1 . 6927 1 46 . 1 1 5 5 LEU CD2 C 13 24.436 0.25 . 1 . . . . 5 LEU CD2 . 6927 1 47 . 1 1 5 5 LEU N N 15 124.527 0.06 . 1 . . . . 5 LEU N . 6927 1 48 . 1 1 6 6 PHE H H 1 9.058 0.015 . 1 . . . . 6 PHE H . 6927 1 49 . 1 1 6 6 PHE HA H 1 5.049 0.005 . 1 . . . . 6 PHE HA . 6927 1 50 . 1 1 6 6 PHE HB2 H 1 3.013 0.003 . 1 . . . . 6 PHE HB2 . 6927 1 51 . 1 1 6 6 PHE HB3 H 1 2.860 0.002 . 1 . . . . 6 PHE HB3 . 6927 1 52 . 1 1 6 6 PHE HD1 H 1 6.783 0.015 . 1 . . . . 6 PHE QD . 6927 1 53 . 1 1 6 6 PHE HD2 H 1 6.783 0.015 . 1 . . . . 6 PHE QD . 6927 1 54 . 1 1 6 6 PHE HE1 H 1 7.019 0.015 . 1 . . . . 6 PHE QE . 6927 1 55 . 1 1 6 6 PHE HE2 H 1 7.019 0.015 . 1 . . . . 6 PHE QE . 6927 1 56 . 1 1 6 6 PHE C C 13 171.867 0.25 . 1 . . . . 6 PHE C . 6927 1 57 . 1 1 6 6 PHE CA C 13 53.994 0.25 . 1 . . . . 6 PHE CA . 6927 1 58 . 1 1 6 6 PHE CB C 13 39.343 0.25 . 1 . . . . 6 PHE CB . 6927 1 59 . 1 1 6 6 PHE N N 15 120.933 0.06 . 1 . . . . 6 PHE N . 6927 1 60 . 1 1 7 7 PRO HA H 1 5.469 0.006 . 1 . . . . 7 PRO HA . 6927 1 61 . 1 1 7 7 PRO HB2 H 1 2.066 0.015 . 1 . . . . 7 PRO HB2 . 6927 1 62 . 1 1 7 7 PRO HB3 H 1 1.887 0.015 . 1 . . . . 7 PRO HB3 . 6927 1 63 . 1 1 7 7 PRO HG2 H 1 2.095 0.015 . 1 . . . . 7 PRO HG2 . 6927 1 64 . 1 1 7 7 PRO HG3 H 1 2.010 0.015 . 1 . . . . 7 PRO HG3 . 6927 1 65 . 1 1 7 7 PRO HD2 H 1 3.859 0.007 . 1 . . . . 7 PRO HD2 . 6927 1 66 . 1 1 7 7 PRO HD3 H 1 3.618 0.007 . 1 . . . . 7 PRO HD3 . 6927 1 67 . 1 1 7 7 PRO CA C 13 61.447 0.25 . 1 . . . . 7 PRO CA . 6927 1 68 . 1 1 7 7 PRO CB C 13 32.404 0.25 . 1 . . . . 7 PRO CB . 6927 1 69 . 1 1 7 7 PRO CG C 13 26.749 0.25 . 1 . . . . 7 PRO CG . 6927 1 70 . 1 1 7 7 PRO CD C 13 50.652 0.25 . 1 . . . . 7 PRO CD . 6927 1 71 . 1 1 8 8 VAL H H 1 8.414 0.015 . 1 . . . . 8 VAL H . 6927 1 72 . 1 1 8 8 VAL HA H 1 3.912 0.015 . 1 . . . . 8 VAL HA . 6927 1 73 . 1 1 8 8 VAL HB H 1 1.559 0.002 . 1 . . . . 8 VAL HB . 6927 1 74 . 1 1 8 8 VAL HG11 H 1 0.781 0.015 . 2 . . . . 8 VAL QG1 . 6927 1 75 . 1 1 8 8 VAL HG12 H 1 0.781 0.015 . 2 . . . . 8 VAL QG1 . 6927 1 76 . 1 1 8 8 VAL HG13 H 1 0.781 0.015 . 2 . . . . 8 VAL QG1 . 6927 1 77 . 1 1 8 8 VAL HG21 H 1 0.747 0.015 . 2 . . . . 8 VAL QG2 . 6927 1 78 . 1 1 8 8 VAL HG22 H 1 0.747 0.015 . 2 . . . . 8 VAL QG2 . 6927 1 79 . 1 1 8 8 VAL HG23 H 1 0.747 0.015 . 2 . . . . 8 VAL QG2 . 6927 1 80 . 1 1 8 8 VAL C C 13 173.755 0.25 . 1 . . . . 8 VAL C . 6927 1 81 . 1 1 8 8 VAL CA C 13 62.475 0.25 . 1 . . . . 8 VAL CA . 6927 1 82 . 1 1 8 8 VAL CB C 13 37.544 0.25 . 1 . . . . 8 VAL CB . 6927 1 83 . 1 1 8 8 VAL CG1 C 13 23.922 0.25 . 1 . . . . 8 VAL CG1 . 6927 1 84 . 1 1 8 8 VAL CG2 C 13 21.095 0.25 . 1 . . . . 8 VAL CG2 . 6927 1 85 . 1 1 8 8 VAL N N 15 119.252 0.06 . 1 . . . . 8 VAL N . 6927 1 86 . 1 1 9 9 GLU H H 1 7.620 0.015 . 1 . . . . 9 GLU H . 6927 1 87 . 1 1 9 9 GLU HA H 1 5.512 0.015 . 1 . . . . 9 GLU HA . 6927 1 88 . 1 1 9 9 GLU HB2 H 1 1.863 0.015 . 1 . . . . 9 GLU HB2 . 6927 1 89 . 1 1 9 9 GLU HB3 H 1 1.769 0.015 . 1 . . . . 9 GLU HB3 . 6927 1 90 . 1 1 9 9 GLU HG2 H 1 2.090 0.015 . 1 . . . . 9 GLU HG2 . 6927 1 91 . 1 1 9 9 GLU HG3 H 1 1.928 0.007 . 1 . . . . 9 GLU HG3 . 6927 1 92 . 1 1 9 9 GLU C C 13 174.693 0.25 . 1 . . . . 9 GLU C . 6927 1 93 . 1 1 9 9 GLU CA C 13 54.765 0.25 . 1 . . . . 9 GLU CA . 6927 1 94 . 1 1 9 9 GLU CB C 13 31.119 0.25 . 1 . . . . 9 GLU CB . 6927 1 95 . 1 1 9 9 GLU CG C 13 36.773 0.25 . 1 . . . . 9 GLU CG . 6927 1 96 . 1 1 9 9 GLU N N 15 126.572 0.06 . 1 . . . . 9 GLU N . 6927 1 97 . 1 1 10 10 LEU H H 1 8.841 0.015 . 1 . . . . 10 LEU H . 6927 1 98 . 1 1 10 10 LEU HA H 1 4.688 0.003 . 1 . . . . 10 LEU HA . 6927 1 99 . 1 1 10 10 LEU HB2 H 1 1.404 0.015 . 1 . . . . 10 LEU HB2 . 6927 1 100 . 1 1 10 10 LEU HB3 H 1 1.312 0.001 . 1 . . . . 10 LEU HB3 . 6927 1 101 . 1 1 10 10 LEU HG H 1 1.403 0.015 . 1 . . . . 10 LEU HG . 6927 1 102 . 1 1 10 10 LEU HD11 H 1 0.737 0.015 . 2 . . . . 10 LEU QD1 . 6927 1 103 . 1 1 10 10 LEU HD12 H 1 0.737 0.015 . 2 . . . . 10 LEU QD1 . 6927 1 104 . 1 1 10 10 LEU HD13 H 1 0.737 0.015 . 2 . . . . 10 LEU QD1 . 6927 1 105 . 1 1 10 10 LEU HD21 H 1 0.651 0.002 . 2 . . . . 10 LEU QD2 . 6927 1 106 . 1 1 10 10 LEU HD22 H 1 0.651 0.002 . 2 . . . . 10 LEU QD2 . 6927 1 107 . 1 1 10 10 LEU HD23 H 1 0.651 0.002 . 2 . . . . 10 LEU QD2 . 6927 1 108 . 1 1 10 10 LEU C C 13 174.883 0.25 . 1 . . . . 10 LEU C . 6927 1 109 . 1 1 10 10 LEU CA C 13 52.966 0.25 . 1 . . . . 10 LEU CA . 6927 1 110 . 1 1 10 10 LEU CB C 13 46.540 0.25 . 1 . . . . 10 LEU CB . 6927 1 111 . 1 1 10 10 LEU CG C 13 26.492 0.25 . 1 . . . . 10 LEU CG . 6927 1 112 . 1 1 10 10 LEU CD1 C 13 24.436 0.25 . 1 . . . . 10 LEU CD1 . 6927 1 113 . 1 1 10 10 LEU CD2 C 13 25.464 0.25 . 1 . . . . 10 LEU CD2 . 6927 1 114 . 1 1 10 10 LEU N N 15 122.243 0.06 . 1 . . . . 10 LEU N . 6927 1 115 . 1 1 11 11 GLU H H 1 8.555 0.015 . 1 . . . . 11 GLU H . 6927 1 116 . 1 1 11 11 GLU HA H 1 4.500 0.015 . 1 . . . . 11 GLU HA . 6927 1 117 . 1 1 11 11 GLU HB2 H 1 1.769 0.005 . 1 . . . . 11 GLU HB2 . 6927 1 118 . 1 1 11 11 GLU HB3 H 1 1.681 0.015 . 1 . . . . 11 GLU HB3 . 6927 1 119 . 1 1 11 11 GLU HG2 H 1 2.189 0.015 . 1 . . . . 11 GLU HG2 . 6927 1 120 . 1 1 11 11 GLU HG3 H 1 2.136 0.015 . 1 . . . . 11 GLU HG3 . 6927 1 121 . 1 1 11 11 GLU C C 13 175.748 0.25 . 1 . . . . 11 GLU C . 6927 1 122 . 1 1 11 11 GLU CA C 13 54.765 0.25 . 1 . . . . 11 GLU CA . 6927 1 123 . 1 1 11 11 GLU CB C 13 31.376 0.25 . 1 . . . . 11 GLU CB . 6927 1 124 . 1 1 11 11 GLU CG C 13 36.002 0.25 . 1 . . . . 11 GLU CG . 6927 1 125 . 1 1 11 11 GLU N N 15 122.249 0.06 . 1 . . . . 11 GLU N . 6927 1 126 . 1 1 12 12 LYS H H 1 8.494 0.015 . 1 . . . . 12 LYS H . 6927 1 127 . 1 1 12 12 LYS HA H 1 3.701 0.015 . 1 . . . . 12 LYS HA . 6927 1 128 . 1 1 12 12 LYS HB2 H 1 1.821 0.002 . 1 . . . . 12 LYS HB2 . 6927 1 129 . 1 1 12 12 LYS HB3 H 1 1.494 0.002 . 1 . . . . 12 LYS HB3 . 6927 1 130 . 1 1 12 12 LYS HG2 H 1 1.191 0.015 . 1 . . . . 12 LYS HG2 . 6927 1 131 . 1 1 12 12 LYS HG3 H 1 1.060 0.001 . 1 . . . . 12 LYS HG3 . 6927 1 132 . 1 1 12 12 LYS HD2 H 1 1.466 0.015 . 1 . . . . 12 LYS QD . 6927 1 133 . 1 1 12 12 LYS HD3 H 1 1.466 0.015 . 1 . . . . 12 LYS QD . 6927 1 134 . 1 1 12 12 LYS HE2 H 1 2.761 0.005 . 1 . . . . 12 LYS QE . 6927 1 135 . 1 1 12 12 LYS HE3 H 1 2.761 0.005 . 1 . . . . 12 LYS QE . 6927 1 136 . 1 1 12 12 LYS C C 13 176.940 0.25 . 1 . . . . 12 LYS C . 6927 1 137 . 1 1 12 12 LYS CA C 13 57.592 0.25 . 1 . . . . 12 LYS CA . 6927 1 138 . 1 1 12 12 LYS CB C 13 34.203 0.25 . 1 . . . . 12 LYS CB . 6927 1 139 . 1 1 12 12 LYS CG C 13 26.235 0.25 . 1 . . . . 12 LYS CG . 6927 1 140 . 1 1 12 12 LYS CD C 13 30.348 0.25 . 1 . . . . 12 LYS CD . 6927 1 141 . 1 1 12 12 LYS CE C 13 42.171 0.25 . 1 . . . . 12 LYS CE . 6927 1 142 . 1 1 12 12 LYS N N 15 124.529 0.06 . 1 . . . . 12 LYS N . 6927 1 143 . 1 1 13 13 ASP H H 1 7.530 0.015 . 1 . . . . 13 ASP H . 6927 1 144 . 1 1 13 13 ASP HA H 1 4.832 0.004 . 1 . . . . 13 ASP HA . 6927 1 145 . 1 1 13 13 ASP HB2 H 1 3.168 0.003 . 1 . . . . 13 ASP HB2 . 6927 1 146 . 1 1 13 13 ASP HB3 H 1 2.642 0.015 . 1 . . . . 13 ASP HB3 . 6927 1 147 . 1 1 13 13 ASP C C 13 178.259 0.25 . 1 . . . . 13 ASP C . 6927 1 148 . 1 1 13 13 ASP CA C 13 52.709 0.25 . 1 . . . . 13 ASP CA . 6927 1 149 . 1 1 13 13 ASP CB C 13 41.914 0.25 . 1 . . . . 13 ASP CB . 6927 1 150 . 1 1 13 13 ASP N N 15 123.621 0.06 . 1 . . . . 13 ASP N . 6927 1 151 . 1 1 14 14 SER H H 1 8.470 0.015 . 1 . . . . 14 SER H . 6927 1 152 . 1 1 14 14 SER HA H 1 3.767 0.001 . 1 . . . . 14 SER HA . 6927 1 153 . 1 1 14 14 SER HB2 H 1 3.935 0.001 . 1 . . . . 14 SER QB . 6927 1 154 . 1 1 14 14 SER HB3 H 1 3.935 0.001 . 1 . . . . 14 SER QB . 6927 1 155 . 1 1 14 14 SER CA C 13 61.704 0.25 . 1 . . . . 14 SER CA . 6927 1 156 . 1 1 14 14 SER CB C 13 62.732 0.25 . 1 . . . . 14 SER CB . 6927 1 157 . 1 1 14 14 SER N N 15 115.266 0.06 . 1 . . . . 14 SER N . 6927 1 158 . 1 1 15 15 GLU H H 1 8.353 0.015 . 1 . . . . 15 GLU H . 6927 1 159 . 1 1 15 15 GLU HA H 1 4.125 0.015 . 1 . . . . 15 GLU HA . 6927 1 160 . 1 1 15 15 GLU HB2 H 1 1.915 0.019 . 1 . . . . 15 GLU HB2 . 6927 1 161 . 1 1 15 15 GLU HB3 H 1 1.787 0.017 . 1 . . . . 15 GLU HB3 . 6927 1 162 . 1 1 15 15 GLU HG2 H 1 2.194 0.004 . 1 . . . . 15 GLU HG2 . 6927 1 163 . 1 1 15 15 GLU HG3 H 1 2.080 0.015 . 1 . . . . 15 GLU HG3 . 6927 1 164 . 1 1 15 15 GLU C C 13 176.666 0.25 . 1 . . . . 15 GLU C . 6927 1 165 . 1 1 15 15 GLU CA C 13 56.307 0.25 . 1 . . . . 15 GLU CA . 6927 1 166 . 1 1 15 15 GLU CB C 13 29.576 0.25 . 1 . . . . 15 GLU CB . 6927 1 167 . 1 1 15 15 GLU CG C 13 36.516 0.25 . 1 . . . . 15 GLU CG . 6927 1 168 . 1 1 15 15 GLU N N 15 119.525 0.06 . 1 . . . . 15 GLU N . 6927 1 169 . 1 1 16 16 GLY H H 1 7.938 0.015 . 1 . . . . 16 GLY H . 6927 1 170 . 1 1 16 16 GLY HA2 H 1 4.487 0.001 . 1 . . . . 16 GLY HA2 . 6927 1 171 . 1 1 16 16 GLY HA3 H 1 3.471 0.002 . 1 . . . . 16 GLY HA3 . 6927 1 172 . 1 1 16 16 GLY C C 13 174.620 0.25 . 1 . . . . 16 GLY C . 6927 1 173 . 1 1 16 16 GLY CA C 13 44.998 0.25 . 1 . . . . 16 GLY CA . 6927 1 174 . 1 1 16 16 GLY N N 15 108.216 0.06 . 1 . . . . 16 GLY N . 6927 1 175 . 1 1 17 17 LEU H H 1 9.158 0.015 . 1 . . . . 17 LEU H . 6927 1 176 . 1 1 17 17 LEU HA H 1 4.033 0.015 . 1 . . . . 17 LEU HA . 6927 1 177 . 1 1 17 17 LEU HB2 H 1 1.848 0.015 . 1 . . . . 17 LEU HB2 . 6927 1 178 . 1 1 17 17 LEU HB3 H 1 1.277 0.002 . 1 . . . . 17 LEU HB3 . 6927 1 179 . 1 1 17 17 LEU HG H 1 1.577 0.002 . 1 . . . . 17 LEU HG . 6927 1 180 . 1 1 17 17 LEU HD11 H 1 0.967 0.015 . 2 . . . . 17 LEU QD1 . 6927 1 181 . 1 1 17 17 LEU HD12 H 1 0.967 0.015 . 2 . . . . 17 LEU QD1 . 6927 1 182 . 1 1 17 17 LEU HD13 H 1 0.967 0.015 . 2 . . . . 17 LEU QD1 . 6927 1 183 . 1 1 17 17 LEU HD21 H 1 0.783 0.001 . 2 . . . . 17 LEU QD2 . 6927 1 184 . 1 1 17 17 LEU HD22 H 1 0.783 0.001 . 2 . . . . 17 LEU QD2 . 6927 1 185 . 1 1 17 17 LEU HD23 H 1 0.783 0.001 . 2 . . . . 17 LEU QD2 . 6927 1 186 . 1 1 17 17 LEU CA C 13 56.307 0.25 . 1 . . . . 17 LEU CA . 6927 1 187 . 1 1 17 17 LEU CB C 13 43.970 0.25 . 1 . . . . 17 LEU CB . 6927 1 188 . 1 1 17 17 LEU CG C 13 27.006 0.25 . 1 . . . . 17 LEU CG . 6927 1 189 . 1 1 17 17 LEU CD1 C 13 25.978 0.25 . 1 . . . . 17 LEU CD1 . 6927 1 190 . 1 1 17 17 LEU CD2 C 13 23.665 0.25 . 1 . . . . 17 LEU CD2 . 6927 1 191 . 1 1 17 17 LEU N N 15 123.805 0.06 . 1 . . . . 17 LEU N . 6927 1 192 . 1 1 18 18 GLY H H 1 8.772 0.015 . 1 . . . . 18 GLY H . 6927 1 193 . 1 1 18 18 GLY HA2 H 1 4.137 0.015 . 1 . . . . 18 GLY HA2 . 6927 1 194 . 1 1 18 18 GLY HA3 H 1 3.737 0.007 . 1 . . . . 18 GLY HA3 . 6927 1 195 . 1 1 18 18 GLY C C 13 176.054 0.25 . 1 . . . . 18 GLY C . 6927 1 196 . 1 1 18 18 GLY CA C 13 46.026 0.25 . 1 . . . . 18 GLY CA . 6927 1 197 . 1 1 18 18 GLY N N 15 105.069 0.06 . 1 . . . . 18 GLY N . 6927 1 198 . 1 1 19 19 ILE H H 1 7.053 0.015 . 1 . . . . 19 ILE H . 6927 1 199 . 1 1 19 19 ILE HA H 1 5.064 0.004 . 1 . . . . 19 ILE HA . 6927 1 200 . 1 1 19 19 ILE HB H 1 1.612 0.015 . 1 . . . . 19 ILE HB . 6927 1 201 . 1 1 19 19 ILE HG12 H 1 1.163 0.001 . 1 . . . . 19 ILE QG1 . 6927 1 202 . 1 1 19 19 ILE HG13 H 1 1.163 0.001 . 1 . . . . 19 ILE QG1 . 6927 1 203 . 1 1 19 19 ILE HG21 H 1 0.627 0.002 . 1 . . . . 19 ILE QG2 . 6927 1 204 . 1 1 19 19 ILE HG22 H 1 0.627 0.002 . 1 . . . . 19 ILE QG2 . 6927 1 205 . 1 1 19 19 ILE HG23 H 1 0.627 0.002 . 1 . . . . 19 ILE QG2 . 6927 1 206 . 1 1 19 19 ILE HD11 H 1 0.456 0.015 . 1 . . . . 19 ILE QD1 . 6927 1 207 . 1 1 19 19 ILE HD12 H 1 0.456 0.015 . 1 . . . . 19 ILE QD1 . 6927 1 208 . 1 1 19 19 ILE HD13 H 1 0.456 0.015 . 1 . . . . 19 ILE QD1 . 6927 1 209 . 1 1 19 19 ILE C C 13 174.852 0.25 . 1 . . . . 19 ILE C . 6927 1 210 . 1 1 19 19 ILE CA C 13 59.391 0.25 . 1 . . . . 19 ILE CA . 6927 1 211 . 1 1 19 19 ILE CB C 13 42.942 0.25 . 1 . . . . 19 ILE CB . 6927 1 212 . 1 1 19 19 ILE CG1 C 13 25.207 0.25 . 1 . . . . 19 ILE CG1 . 6927 1 213 . 1 1 19 19 ILE CG2 C 13 18.524 0.25 . 1 . . . . 19 ILE CG2 . 6927 1 214 . 1 1 19 19 ILE CD1 C 13 13.641 0.25 . 1 . . . . 19 ILE CD1 . 6927 1 215 . 1 1 19 19 ILE N N 15 111.843 0.06 . 1 . . . . 19 ILE N . 6927 1 216 . 1 1 20 20 SER H H 1 8.173 0.015 . 1 . . . . 20 SER H . 6927 1 217 . 1 1 20 20 SER HA H 1 4.847 0.003 . 1 . . . . 20 SER HA . 6927 1 218 . 1 1 20 20 SER HB2 H 1 3.784 0.005 . 1 . . . . 20 SER HB2 . 6927 1 219 . 1 1 20 20 SER HB3 H 1 3.674 0.003 . 1 . . . . 20 SER HB3 . 6927 1 220 . 1 1 20 20 SER C C 13 174.409 0.25 . 1 . . . . 20 SER C . 6927 1 221 . 1 1 20 20 SER CA C 13 56.821 0.25 . 1 . . . . 20 SER CA . 6927 1 222 . 1 1 20 20 SER CB C 13 65.817 0.25 . 1 . . . . 20 SER CB . 6927 1 223 . 1 1 20 20 SER N N 15 116.701 0.06 . 1 . . . . 20 SER N . 6927 1 224 . 1 1 21 21 ILE H H 1 8.434 0.015 . 1 . . . . 21 ILE H . 6927 1 225 . 1 1 21 21 ILE HA H 1 5.351 0.006 . 1 . . . . 21 ILE HA . 6927 1 226 . 1 1 21 21 ILE HB H 1 1.783 0.015 . 1 . . . . 21 ILE HB . 6927 1 227 . 1 1 21 21 ILE HG12 H 1 0.964 0.001 . 1 . . . . 21 ILE HG12 . 6927 1 228 . 1 1 21 21 ILE HG13 H 1 1.248 0.015 . 1 . . . . 21 ILE HG13 . 6927 1 229 . 1 1 21 21 ILE HG21 H 1 0.510 0.015 . 1 . . . . 21 ILE QG2 . 6927 1 230 . 1 1 21 21 ILE HG22 H 1 0.510 0.015 . 1 . . . . 21 ILE QG2 . 6927 1 231 . 1 1 21 21 ILE HG23 H 1 0.510 0.015 . 1 . . . . 21 ILE QG2 . 6927 1 232 . 1 1 21 21 ILE HD11 H 1 0.648 0.015 . 1 . . . . 21 ILE QD1 . 6927 1 233 . 1 1 21 21 ILE HD12 H 1 0.648 0.015 . 1 . . . . 21 ILE QD1 . 6927 1 234 . 1 1 21 21 ILE HD13 H 1 0.648 0.015 . 1 . . . . 21 ILE QD1 . 6927 1 235 . 1 1 21 21 ILE C C 13 174.599 0.25 . 1 . . . . 21 ILE C . 6927 1 236 . 1 1 21 21 ILE CA C 13 59.648 0.25 . 1 . . . . 21 ILE CA . 6927 1 237 . 1 1 21 21 ILE CB C 13 42.171 0.25 . 1 . . . . 21 ILE CB . 6927 1 238 . 1 1 21 21 ILE CG1 C 13 25.207 0.25 . 1 . . . . 21 ILE CG1 . 6927 1 239 . 1 1 21 21 ILE CG2 C 13 18.782 0.25 . 1 . . . . 21 ILE CG2 . 6927 1 240 . 1 1 21 21 ILE CD1 C 13 14.926 0.25 . 1 . . . . 21 ILE CD1 . 6927 1 241 . 1 1 21 21 ILE N N 15 115.607 0.06 . 1 . . . . 21 ILE N . 6927 1 242 . 1 1 22 22 ILE H H 1 8.881 0.015 . 1 . . . . 22 ILE H . 6927 1 243 . 1 1 22 22 ILE HA H 1 4.390 0.004 . 1 . . . . 22 ILE HA . 6927 1 244 . 1 1 22 22 ILE HB H 1 1.612 0.015 . 1 . . . . 22 ILE HB . 6927 1 245 . 1 1 22 22 ILE HG12 H 1 1.496 0.001 . 1 . . . . 22 ILE HG12 . 6927 1 246 . 1 1 22 22 ILE HG13 H 1 1.091 0.002 . 1 . . . . 22 ILE HG13 . 6927 1 247 . 1 1 22 22 ILE HG21 H 1 0.783 0.015 . 1 . . . . 22 ILE QG2 . 6927 1 248 . 1 1 22 22 ILE HG22 H 1 0.783 0.015 . 1 . . . . 22 ILE QG2 . 6927 1 249 . 1 1 22 22 ILE HG23 H 1 0.783 0.015 . 1 . . . . 22 ILE QG2 . 6927 1 250 . 1 1 22 22 ILE HD11 H 1 0.829 0.015 . 1 . . . . 22 ILE QD1 . 6927 1 251 . 1 1 22 22 ILE HD12 H 1 0.829 0.015 . 1 . . . . 22 ILE QD1 . 6927 1 252 . 1 1 22 22 ILE HD13 H 1 0.829 0.015 . 1 . . . . 22 ILE QD1 . 6927 1 253 . 1 1 22 22 ILE C C 13 173.512 0.25 . 1 . . . . 22 ILE C . 6927 1 254 . 1 1 22 22 ILE CA C 13 59.648 0.25 . 1 . . . . 22 ILE CA . 6927 1 255 . 1 1 22 22 ILE CB C 13 41.914 0.25 . 1 . . . . 22 ILE CB . 6927 1 256 . 1 1 22 22 ILE CG1 C 13 28.548 0.25 . 1 . . . . 22 ILE CG1 . 6927 1 257 . 1 1 22 22 ILE CG2 C 13 16.725 0.25 . 1 . . . . 22 ILE CG2 . 6927 1 258 . 1 1 22 22 ILE CD1 C 13 14.155 0.25 . 1 . . . . 22 ILE CD1 . 6927 1 259 . 1 1 22 22 ILE N N 15 119.008 0.06 . 1 . . . . 22 ILE N . 6927 1 260 . 1 1 23 23 GLY H H 1 8.399 0.015 . 1 . . . . 23 GLY H . 6927 1 261 . 1 1 23 23 GLY HA2 H 1 5.096 0.009 . 1 . . . . 23 GLY HA2 . 6927 1 262 . 1 1 23 23 GLY HA3 H 1 3.463 0.001 . 1 . . . . 23 GLY HA3 . 6927 1 263 . 1 1 23 23 GLY C C 13 173.291 0.25 . 1 . . . . 23 GLY C . 6927 1 264 . 1 1 23 23 GLY CA C 13 44.741 0.25 . 1 . . . . 23 GLY CA . 6927 1 265 . 1 1 23 23 GLY N N 15 112.984 0.06 . 1 . . . . 23 GLY N . 6927 1 266 . 1 1 24 24 MET H H 1 8.841 0.015 . 1 . . . . 24 MET H . 6927 1 267 . 1 1 24 24 MET HA H 1 4.654 0.001 . 1 . . . . 24 MET HA . 6927 1 268 . 1 1 24 24 MET HB2 H 1 1.873 0.002 . 1 . . . . 24 MET HB2 . 6927 1 269 . 1 1 24 24 MET HB3 H 1 1.984 0.001 . 1 . . . . 24 MET HB3 . 6927 1 270 . 1 1 24 24 MET HG2 H 1 2.316 0.015 . 1 . . . . 24 MET QG . 6927 1 271 . 1 1 24 24 MET HG3 H 1 2.316 0.015 . 1 . . . . 24 MET QG . 6927 1 272 . 1 1 24 24 MET C C 13 175.548 0.25 . 1 . . . . 24 MET C . 6927 1 273 . 1 1 24 24 MET CA C 13 55.022 0.25 . 1 . . . . 24 MET CA . 6927 1 274 . 1 1 24 24 MET CB C 13 34.974 0.25 . 1 . . . . 24 MET CB . 6927 1 275 . 1 1 24 24 MET CG C 13 31.890 0.25 . 1 . . . . 24 MET CG . 6927 1 276 . 1 1 24 24 MET N N 15 122.059 0.06 . 1 . . . . 24 MET N . 6927 1 277 . 1 1 25 25 GLY H H 1 8.577 0.015 . 1 . . . . 25 GLY H . 6927 1 278 . 1 1 25 25 GLY HA2 H 1 3.993 0.003 . 1 . . . . 25 GLY HA2 . 6927 1 279 . 1 1 25 25 GLY HA3 H 1 3.760 0.005 . 1 . . . . 25 GLY HA3 . 6927 1 280 . 1 1 25 25 GLY C C 13 173.375 0.25 . 1 . . . . 25 GLY C . 6927 1 281 . 1 1 25 25 GLY CA C 13 45.255 0.25 . 1 . . . . 25 GLY CA . 6927 1 282 . 1 1 25 25 GLY N N 15 110.537 0.06 . 1 . . . . 25 GLY N . 6927 1 283 . 1 1 26 26 ALA H H 1 8.325 0.015 . 1 . . . . 26 ALA H . 6927 1 284 . 1 1 26 26 ALA HA H 1 4.309 0.004 . 1 . . . . 26 ALA HA . 6927 1 285 . 1 1 26 26 ALA HB1 H 1 1.243 0.001 . 1 . . . . 26 ALA QB . 6927 1 286 . 1 1 26 26 ALA HB2 H 1 1.243 0.001 . 1 . . . . 26 ALA QB . 6927 1 287 . 1 1 26 26 ALA HB3 H 1 1.243 0.001 . 1 . . . . 26 ALA QB . 6927 1 288 . 1 1 26 26 ALA C C 13 177.805 0.25 . 1 . . . . 26 ALA C . 6927 1 289 . 1 1 26 26 ALA CA C 13 52.195 0.25 . 1 . . . . 26 ALA CA . 6927 1 290 . 1 1 26 26 ALA CB C 13 19.553 0.25 . 1 . . . . 26 ALA CB . 6927 1 291 . 1 1 26 26 ALA N N 15 124.197 0.06 . 1 . . . . 26 ALA N . 6927 1 292 . 1 1 27 27 GLY H H 1 8.373 0.015 . 1 . . . . 27 GLY H . 6927 1 293 . 1 1 27 27 GLY HA2 H 1 3.821 0.014 . 1 . . . . 27 GLY QA . 6927 1 294 . 1 1 27 27 GLY HA3 H 1 3.821 0.014 . 1 . . . . 27 GLY QA . 6927 1 295 . 1 1 27 27 GLY C C 13 174.219 0.25 . 1 . . . . 27 GLY C . 6927 1 296 . 1 1 27 27 GLY CA C 13 45.255 0.25 . 1 . . . . 27 GLY CA . 6927 1 297 . 1 1 27 27 GLY N N 15 108.452 0.06 . 1 . . . . 27 GLY N . 6927 1 298 . 1 1 28 28 ALA H H 1 8.223 0.015 . 1 . . . . 28 ALA H . 6927 1 299 . 1 1 28 28 ALA HA H 1 4.141 0.002 . 1 . . . . 28 ALA HA . 6927 1 300 . 1 1 28 28 ALA HB1 H 1 1.240 0.001 . 1 . . . . 28 ALA QB . 6927 1 301 . 1 1 28 28 ALA HB2 H 1 1.240 0.001 . 1 . . . . 28 ALA QB . 6927 1 302 . 1 1 28 28 ALA HB3 H 1 1.240 0.001 . 1 . . . . 28 ALA QB . 6927 1 303 . 1 1 28 28 ALA C C 13 177.742 0.25 . 1 . . . . 28 ALA C . 6927 1 304 . 1 1 28 28 ALA CA C 13 52.966 0.25 . 1 . . . . 28 ALA CA . 6927 1 305 . 1 1 28 28 ALA CB C 13 19.296 0.25 . 1 . . . . 28 ALA CB . 6927 1 306 . 1 1 28 28 ALA N N 15 123.783 0.06 . 1 . . . . 28 ALA N . 6927 1 307 . 1 1 29 29 ASP H H 1 8.306 0.015 . 1 . . . . 29 ASP H . 6927 1 308 . 1 1 29 29 ASP HA H 1 4.406 0.015 . 1 . . . . 29 ASP HA . 6927 1 309 . 1 1 29 29 ASP HB2 H 1 2.597 0.001 . 1 . . . . 29 ASP HB2 . 6927 1 310 . 1 1 29 29 ASP HB3 H 1 2.491 0.003 . 1 . . . . 29 ASP HB3 . 6927 1 311 . 1 1 29 29 ASP C C 13 176.392 0.25 . 1 . . . . 29 ASP C . 6927 1 312 . 1 1 29 29 ASP CA C 13 54.765 0.25 . 1 . . . . 29 ASP CA . 6927 1 313 . 1 1 29 29 ASP CB C 13 40.628 0.25 . 1 . . . . 29 ASP CB . 6927 1 314 . 1 1 29 29 ASP N N 15 118.220 0.06 . 1 . . . . 29 ASP N . 6927 1 315 . 1 1 30 30 MET H H 1 8.117 0.015 . 1 . . . . 30 MET H . 6927 1 316 . 1 1 30 30 MET HA H 1 4.300 0.015 . 1 . . . . 30 MET HA . 6927 1 317 . 1 1 30 30 MET HB2 H 1 2.026 0.015 . 1 . . . . 30 MET HB2 . 6927 1 318 . 1 1 30 30 MET HB3 H 1 1.883 0.015 . 1 . . . . 30 MET HB3 . 6927 1 319 . 1 1 30 30 MET HG2 H 1 2.467 0.001 . 1 . . . . 30 MET HG2 . 6927 1 320 . 1 1 30 30 MET HG3 H 1 2.361 0.015 . 1 . . . . 30 MET HG3 . 6927 1 321 . 1 1 30 30 MET C C 13 176.666 0.25 . 1 . . . . 30 MET C . 6927 1 322 . 1 1 30 30 MET CA C 13 55.536 0.25 . 1 . . . . 30 MET CA . 6927 1 323 . 1 1 30 30 MET CB C 13 32.147 0.25 . 1 . . . . 30 MET CB . 6927 1 324 . 1 1 30 30 MET CG C 13 32.147 0.25 . 1 . . . . 30 MET CG . 6927 1 325 . 1 1 30 30 MET N N 15 119.443 0.06 . 1 . . . . 30 MET N . 6927 1 326 . 1 1 31 31 GLY H H 1 8.241 0.015 . 1 . . . . 31 GLY H . 6927 1 327 . 1 1 31 31 GLY HA2 H 1 3.760 0.015 . 1 . . . . 31 GLY QA . 6927 1 328 . 1 1 31 31 GLY HA3 H 1 3.760 0.015 . 1 . . . . 31 GLY QA . 6927 1 329 . 1 1 31 31 GLY C C 13 174.250 0.25 . 1 . . . . 31 GLY C . 6927 1 330 . 1 1 31 31 GLY CA C 13 45.512 0.25 . 1 . . . . 31 GLY CA . 6927 1 331 . 1 1 31 31 GLY N N 15 108.828 0.06 . 1 . . . . 31 GLY N . 6927 1 332 . 1 1 32 32 LEU H H 1 7.892 0.015 . 1 . . . . 32 LEU H . 6927 1 333 . 1 1 32 32 LEU HA H 1 4.193 0.015 . 1 . . . . 32 LEU HA . 6927 1 334 . 1 1 32 32 LEU HB2 H 1 1.479 0.039 . 1 . . . . 32 LEU HB2 . 6927 1 335 . 1 1 32 32 LEU HB3 H 1 1.423 0.015 . 1 . . . . 32 LEU HB3 . 6927 1 336 . 1 1 32 32 LEU HG H 1 1.503 0.015 . 1 . . . . 32 LEU HG . 6927 1 337 . 1 1 32 32 LEU HD11 H 1 0.704 0.015 . 2 . . . . 32 LEU QD1 . 6927 1 338 . 1 1 32 32 LEU HD12 H 1 0.704 0.015 . 2 . . . . 32 LEU QD1 . 6927 1 339 . 1 1 32 32 LEU HD13 H 1 0.704 0.015 . 2 . . . . 32 LEU QD1 . 6927 1 340 . 1 1 32 32 LEU HD21 H 1 0.762 0.001 . 2 . . . . 32 LEU QD2 . 6927 1 341 . 1 1 32 32 LEU HD22 H 1 0.762 0.001 . 2 . . . . 32 LEU QD2 . 6927 1 342 . 1 1 32 32 LEU HD23 H 1 0.762 0.001 . 2 . . . . 32 LEU QD2 . 6927 1 343 . 1 1 32 32 LEU C C 13 177.130 0.25 . 1 . . . . 32 LEU C . 6927 1 344 . 1 1 32 32 LEU CA C 13 55.536 0.25 . 1 . . . . 32 LEU CA . 6927 1 345 . 1 1 32 32 LEU CB C 13 42.428 0.25 . 1 . . . . 32 LEU CB . 6927 1 346 . 1 1 32 32 LEU CG C 13 26.749 0.25 . 1 . . . . 32 LEU CG . 6927 1 347 . 1 1 32 32 LEU CD1 C 13 23.408 0.25 . 1 . . . . 32 LEU CD1 . 6927 1 348 . 1 1 32 32 LEU CD2 C 13 24.950 0.25 . 1 . . . . 32 LEU CD2 . 6927 1 349 . 1 1 32 32 LEU N N 15 121.251 0.06 . 1 . . . . 32 LEU N . 6927 1 350 . 1 1 33 33 GLU H H 1 8.406 0.015 . 1 . . . . 33 GLU H . 6927 1 351 . 1 1 33 33 GLU HA H 1 4.115 0.004 . 1 . . . . 33 GLU HA . 6927 1 352 . 1 1 33 33 GLU HB2 H 1 1.938 0.015 . 1 . . . . 33 GLU HB2 . 6927 1 353 . 1 1 33 33 GLU HB3 H 1 1.836 0.015 . 1 . . . . 33 GLU HB3 . 6927 1 354 . 1 1 33 33 GLU HG2 H 1 2.128 0.015 . 1 . . . . 33 GLU HG2 . 6927 1 355 . 1 1 33 33 GLU HG3 H 1 2.084 0.015 . 1 . . . . 33 GLU HG3 . 6927 1 356 . 1 1 33 33 GLU C C 13 175.906 0.25 . 1 . . . . 33 GLU C . 6927 1 357 . 1 1 33 33 GLU CA C 13 56.821 0.25 . 1 . . . . 33 GLU CA . 6927 1 358 . 1 1 33 33 GLU CB C 13 30.091 0.25 . 1 . . . . 33 GLU CB . 6927 1 359 . 1 1 33 33 GLU CG C 13 36.259 0.25 . 1 . . . . 33 GLU CG . 6927 1 360 . 1 1 33 33 GLU N N 15 120.473 0.06 . 1 . . . . 33 GLU N . 6927 1 361 . 1 1 34 34 LYS H H 1 7.961 0.015 . 1 . . . . 34 LYS H . 6927 1 362 . 1 1 34 34 LYS HA H 1 4.212 0.001 . 1 . . . . 34 LYS HA . 6927 1 363 . 1 1 34 34 LYS HB2 H 1 1.572 0.003 . 1 . . . . 34 LYS QB . 6927 1 364 . 1 1 34 34 LYS HB3 H 1 1.572 0.003 . 1 . . . . 34 LYS QB . 6927 1 365 . 1 1 34 34 LYS HG2 H 1 1.224 0.009 . 1 . . . . 34 LYS QG . 6927 1 366 . 1 1 34 34 LYS HG3 H 1 1.224 0.009 . 1 . . . . 34 LYS QG . 6927 1 367 . 1 1 34 34 LYS HD2 H 1 1.464 0.006 . 1 . . . . 34 LYS QD . 6927 1 368 . 1 1 34 34 LYS HD3 H 1 1.464 0.006 . 1 . . . . 34 LYS QD . 6927 1 369 . 1 1 34 34 LYS HE2 H 1 2.784 0.001 . 1 . . . . 34 LYS QE . 6927 1 370 . 1 1 34 34 LYS HE3 H 1 2.784 0.001 . 1 . . . . 34 LYS QE . 6927 1 371 . 1 1 34 34 LYS C C 13 175.537 0.25 . 1 . . . . 34 LYS C . 6927 1 372 . 1 1 34 34 LYS CA C 13 55.536 0.25 . 1 . . . . 34 LYS CA . 6927 1 373 . 1 1 34 34 LYS CB C 13 33.432 0.25 . 1 . . . . 34 LYS CB . 6927 1 374 . 1 1 34 34 LYS CG C 13 24.693 0.25 . 1 . . . . 34 LYS CG . 6927 1 375 . 1 1 34 34 LYS CD C 13 29.062 0.25 . 1 . . . . 34 LYS CD . 6927 1 376 . 1 1 34 34 LYS CE C 13 42.171 0.25 . 1 . . . . 34 LYS CE . 6927 1 377 . 1 1 34 34 LYS N N 15 121.282 0.06 . 1 . . . . 34 LYS N . 6927 1 378 . 1 1 35 35 LEU H H 1 8.139 0.015 . 1 . . . . 35 LEU H . 6927 1 379 . 1 1 35 35 LEU HA H 1 4.415 0.001 . 1 . . . . 35 LEU HA . 6927 1 380 . 1 1 35 35 LEU HB2 H 1 1.488 0.002 . 1 . . . . 35 LEU QB . 6927 1 381 . 1 1 35 35 LEU HB3 H 1 1.488 0.002 . 1 . . . . 35 LEU QB . 6927 1 382 . 1 1 35 35 LEU HG H 1 1.490 0.001 . 1 . . . . 35 LEU HG . 6927 1 383 . 1 1 35 35 LEU HD11 H 1 0.700 0.015 . 2 . . . . 35 LEU QD1 . 6927 1 384 . 1 1 35 35 LEU HD12 H 1 0.700 0.015 . 2 . . . . 35 LEU QD1 . 6927 1 385 . 1 1 35 35 LEU HD13 H 1 0.700 0.015 . 2 . . . . 35 LEU QD1 . 6927 1 386 . 1 1 35 35 LEU HD21 H 1 0.655 0.015 . 2 . . . . 35 LEU QD2 . 6927 1 387 . 1 1 35 35 LEU HD22 H 1 0.655 0.015 . 2 . . . . 35 LEU QD2 . 6927 1 388 . 1 1 35 35 LEU HD23 H 1 0.655 0.015 . 2 . . . . 35 LEU QD2 . 6927 1 389 . 1 1 35 35 LEU C C 13 177.046 0.25 . 1 . . . . 35 LEU C . 6927 1 390 . 1 1 35 35 LEU CA C 13 55.279 0.25 . 1 . . . . 35 LEU CA . 6927 1 391 . 1 1 35 35 LEU CB C 13 42.942 0.25 . 1 . . . . 35 LEU CB . 6927 1 392 . 1 1 35 35 LEU CG C 13 27.006 0.25 . 1 . . . . 35 LEU CG . 6927 1 393 . 1 1 35 35 LEU CD1 C 13 25.464 0.25 . 1 . . . . 35 LEU CD1 . 6927 1 394 . 1 1 35 35 LEU CD2 C 13 23.151 0.25 . 1 . . . . 35 LEU CD2 . 6927 1 395 . 1 1 35 35 LEU N N 15 122.526 0.06 . 1 . . . . 35 LEU N . 6927 1 396 . 1 1 36 36 GLY H H 1 8.296 0.015 . 1 . . . . 36 GLY H . 6927 1 397 . 1 1 36 36 GLY HA2 H 1 4.148 0.003 . 1 . . . . 36 GLY HA2 . 6927 1 398 . 1 1 36 36 GLY HA3 H 1 3.468 0.015 . 1 . . . . 36 GLY HA3 . 6927 1 399 . 1 1 36 36 GLY C C 13 171.213 0.25 . 1 . . . . 36 GLY C . 6927 1 400 . 1 1 36 36 GLY CA C 13 44.227 0.25 . 1 . . . . 36 GLY CA . 6927 1 401 . 1 1 36 36 GLY N N 15 108.682 0.06 . 1 . . . . 36 GLY N . 6927 1 402 . 1 1 37 37 ILE H H 1 8.403 0.015 . 1 . . . . 37 ILE H . 6927 1 403 . 1 1 37 37 ILE HA H 1 4.484 0.015 . 1 . . . . 37 ILE HA . 6927 1 404 . 1 1 37 37 ILE HB H 1 2.168 0.015 . 1 . . . . 37 ILE HB . 6927 1 405 . 1 1 37 37 ILE HG12 H 1 0.995 0.015 . 1 . . . . 37 ILE HG12 . 6927 1 406 . 1 1 37 37 ILE HG13 H 1 1.762 0.010 . 1 . . . . 37 ILE HG13 . 6927 1 407 . 1 1 37 37 ILE HG21 H 1 0.636 0.015 . 1 . . . . 37 ILE QG2 . 6927 1 408 . 1 1 37 37 ILE HG22 H 1 0.636 0.015 . 1 . . . . 37 ILE QG2 . 6927 1 409 . 1 1 37 37 ILE HG23 H 1 0.636 0.015 . 1 . . . . 37 ILE QG2 . 6927 1 410 . 1 1 37 37 ILE HD11 H 1 0.478 0.002 . 1 . . . . 37 ILE QD1 . 6927 1 411 . 1 1 37 37 ILE HD12 H 1 0.478 0.002 . 1 . . . . 37 ILE QD1 . 6927 1 412 . 1 1 37 37 ILE HD13 H 1 0.478 0.002 . 1 . . . . 37 ILE QD1 . 6927 1 413 . 1 1 37 37 ILE C C 13 173.291 0.25 . 1 . . . . 37 ILE C . 6927 1 414 . 1 1 37 37 ILE CA C 13 57.335 0.25 . 1 . . . . 37 ILE CA . 6927 1 415 . 1 1 37 37 ILE CB C 13 34.974 0.25 . 1 . . . . 37 ILE CB . 6927 1 416 . 1 1 37 37 ILE CG1 C 13 26.235 0.25 . 1 . . . . 37 ILE CG1 . 6927 1 417 . 1 1 37 37 ILE CG2 C 13 18.524 0.25 . 1 . . . . 37 ILE CG2 . 6927 1 418 . 1 1 37 37 ILE CD1 C 13 8.501 0.25 . 1 . . . . 37 ILE CD1 . 6927 1 419 . 1 1 37 37 ILE N N 15 122.395 0.06 . 1 . . . . 37 ILE N . 6927 1 420 . 1 1 38 38 PHE H H 1 8.792 0.015 . 1 . . . . 38 PHE H . 6927 1 421 . 1 1 38 38 PHE HA H 1 5.288 0.003 . 1 . . . . 38 PHE HA . 6927 1 422 . 1 1 38 38 PHE HB2 H 1 2.580 0.002 . 1 . . . . 38 PHE QB . 6927 1 423 . 1 1 38 38 PHE HB3 H 1 2.580 0.002 . 1 . . . . 38 PHE QB . 6927 1 424 . 1 1 38 38 PHE C C 13 176.402 0.25 . 1 . . . . 38 PHE C . 6927 1 425 . 1 1 38 38 PHE CA C 13 55.793 0.25 . 1 . . . . 38 PHE CA . 6927 1 426 . 1 1 38 38 PHE CB C 13 42.685 0.25 . 1 . . . . 38 PHE CB . 6927 1 427 . 1 1 38 38 PHE N N 15 124.242 0.06 . 1 . . . . 38 PHE N . 6927 1 428 . 1 1 39 39 VAL H H 1 8.882 0.015 . 1 . . . . 39 VAL H . 6927 1 429 . 1 1 39 39 VAL HA H 1 3.731 0.015 . 1 . . . . 39 VAL HA . 6927 1 430 . 1 1 39 39 VAL HB H 1 2.075 0.004 . 1 . . . . 39 VAL HB . 6927 1 431 . 1 1 39 39 VAL HG11 H 1 0.540 0.015 . 2 . . . . 39 VAL QG1 . 6927 1 432 . 1 1 39 39 VAL HG12 H 1 0.540 0.015 . 2 . . . . 39 VAL QG1 . 6927 1 433 . 1 1 39 39 VAL HG13 H 1 0.540 0.015 . 2 . . . . 39 VAL QG1 . 6927 1 434 . 1 1 39 39 VAL HG21 H 1 0.620 0.001 . 2 . . . . 39 VAL QG2 . 6927 1 435 . 1 1 39 39 VAL HG22 H 1 0.620 0.001 . 2 . . . . 39 VAL QG2 . 6927 1 436 . 1 1 39 39 VAL HG23 H 1 0.620 0.001 . 2 . . . . 39 VAL QG2 . 6927 1 437 . 1 1 39 39 VAL C C 13 175.822 0.25 . 1 . . . . 39 VAL C . 6927 1 438 . 1 1 39 39 VAL CA C 13 63.761 0.25 . 1 . . . . 39 VAL CA . 6927 1 439 . 1 1 39 39 VAL CB C 13 31.376 0.25 . 1 . . . . 39 VAL CB . 6927 1 440 . 1 1 39 39 VAL CG1 C 13 22.637 0.25 . 1 . . . . 39 VAL CG1 . 6927 1 441 . 1 1 39 39 VAL CG2 C 13 21.866 0.25 . 1 . . . . 39 VAL CG2 . 6927 1 442 . 1 1 39 39 VAL N N 15 119.891 0.06 . 1 . . . . 39 VAL N . 6927 1 443 . 1 1 40 40 LYS H H 1 9.245 0.015 . 1 . . . . 40 LYS H . 6927 1 444 . 1 1 40 40 LYS HA H 1 4.255 0.001 . 1 . . . . 40 LYS HA . 6927 1 445 . 1 1 40 40 LYS HB2 H 1 1.316 0.002 . 1 . . . . 40 LYS QB . 6927 1 446 . 1 1 40 40 LYS HB3 H 1 1.316 0.002 . 1 . . . . 40 LYS QB . 6927 1 447 . 1 1 40 40 LYS HG2 H 1 1.227 0.001 . 1 . . . . 40 LYS QG . 6927 1 448 . 1 1 40 40 LYS HG3 H 1 1.227 0.001 . 1 . . . . 40 LYS QG . 6927 1 449 . 1 1 40 40 LYS HD2 H 1 1.539 0.015 . 1 . . . . 40 LYS HD2 . 6927 1 450 . 1 1 40 40 LYS HD3 H 1 1.391 0.003 . 1 . . . . 40 LYS HD3 . 6927 1 451 . 1 1 40 40 LYS HE2 H 1 2.794 0.015 . 1 . . . . 40 LYS QE . 6927 1 452 . 1 1 40 40 LYS HE3 H 1 2.794 0.015 . 1 . . . . 40 LYS QE . 6927 1 453 . 1 1 40 40 LYS C C 13 172.706 0.25 . 1 . . . . 40 LYS C . 6927 1 454 . 1 1 40 40 LYS CA C 13 57.078 0.25 . 1 . . . . 40 LYS CA . 6927 1 455 . 1 1 40 40 LYS CB C 13 33.946 0.25 . 1 . . . . 40 LYS CB . 6927 1 456 . 1 1 40 40 LYS CG C 13 24.436 0.25 . 1 . . . . 40 LYS CG . 6927 1 457 . 1 1 40 40 LYS CD C 13 28.805 0.25 . 1 . . . . 40 LYS CD . 6927 1 458 . 1 1 40 40 LYS CE C 13 42.428 0.25 . 1 . . . . 40 LYS CE . 6927 1 459 . 1 1 40 40 LYS N N 15 133.071 0.06 . 1 . . . . 40 LYS N . 6927 1 460 . 1 1 41 41 THR H H 1 7.149 0.015 . 1 . . . . 41 THR H . 6927 1 461 . 1 1 41 41 THR HA H 1 4.351 0.006 . 1 . . . . 41 THR HA . 6927 1 462 . 1 1 41 41 THR HB H 1 3.765 0.015 . 1 . . . . 41 THR HB . 6927 1 463 . 1 1 41 41 THR HG21 H 1 0.913 0.015 . 1 . . . . 41 THR QG2 . 6927 1 464 . 1 1 41 41 THR HG22 H 1 0.913 0.015 . 1 . . . . 41 THR QG2 . 6927 1 465 . 1 1 41 41 THR HG23 H 1 0.913 0.015 . 1 . . . . 41 THR QG2 . 6927 1 466 . 1 1 41 41 THR C C 13 171.877 0.25 . 1 . . . . 41 THR C . 6927 1 467 . 1 1 41 41 THR CA C 13 60.162 0.25 . 1 . . . . 41 THR CA . 6927 1 468 . 1 1 41 41 THR CB C 13 72.499 0.25 . 1 . . . . 41 THR CB . 6927 1 469 . 1 1 41 41 THR CG2 C 13 22.380 0.25 . 1 . . . . 41 THR CG2 . 6927 1 470 . 1 1 41 41 THR N N 15 107.291 0.06 . 1 . . . . 41 THR N . 6927 1 471 . 1 1 42 42 VAL H H 1 8.276 0.015 . 1 . . . . 42 VAL H . 6927 1 472 . 1 1 42 42 VAL HA H 1 4.290 0.015 . 1 . . . . 42 VAL HA . 6927 1 473 . 1 1 42 42 VAL HB H 1 1.758 0.015 . 1 . . . . 42 VAL HB . 6927 1 474 . 1 1 42 42 VAL HG11 H 1 0.551 0.015 . 2 . . . . 42 VAL QG1 . 6927 1 475 . 1 1 42 42 VAL HG12 H 1 0.551 0.015 . 2 . . . . 42 VAL QG1 . 6927 1 476 . 1 1 42 42 VAL HG13 H 1 0.551 0.015 . 2 . . . . 42 VAL QG1 . 6927 1 477 . 1 1 42 42 VAL HG21 H 1 0.718 0.015 . 2 . . . . 42 VAL QG2 . 6927 1 478 . 1 1 42 42 VAL HG22 H 1 0.718 0.015 . 2 . . . . 42 VAL QG2 . 6927 1 479 . 1 1 42 42 VAL HG23 H 1 0.718 0.015 . 2 . . . . 42 VAL QG2 . 6927 1 480 . 1 1 42 42 VAL C C 13 175.453 0.25 . 1 . . . . 42 VAL C . 6927 1 481 . 1 1 42 42 VAL CA C 13 61.447 0.25 . 1 . . . . 42 VAL CA . 6927 1 482 . 1 1 42 42 VAL CB C 13 33.432 0.25 . 1 . . . . 42 VAL CB . 6927 1 483 . 1 1 42 42 VAL CG1 C 13 21.095 0.25 . 1 . . . . 42 VAL CG1 . 6927 1 484 . 1 1 42 42 VAL CG2 C 13 21.352 0.25 . 1 . . . . 42 VAL CG2 . 6927 1 485 . 1 1 42 42 VAL N N 15 122.033 0.06 . 1 . . . . 42 VAL N . 6927 1 486 . 1 1 43 43 THR H H 1 7.968 0.015 . 1 . . . . 43 THR H . 6927 1 487 . 1 1 43 43 THR HA H 1 4.130 0.019 . 1 . . . . 43 THR HA . 6927 1 488 . 1 1 43 43 THR HB H 1 4.090 0.003 . 1 . . . . 43 THR HB . 6927 1 489 . 1 1 43 43 THR HG21 H 1 1.056 0.001 . 1 . . . . 43 THR QG2 . 6927 1 490 . 1 1 43 43 THR HG22 H 1 1.056 0.001 . 1 . . . . 43 THR QG2 . 6927 1 491 . 1 1 43 43 THR HG23 H 1 1.056 0.001 . 1 . . . . 43 THR QG2 . 6927 1 492 . 1 1 43 43 THR C C 13 175.432 0.25 . 1 . . . . 43 THR C . 6927 1 493 . 1 1 43 43 THR CA C 13 64.018 0.25 . 1 . . . . 43 THR CA . 6927 1 494 . 1 1 43 43 THR CB C 13 69.672 0.25 . 1 . . . . 43 THR CB . 6927 1 495 . 1 1 43 43 THR CG2 C 13 21.866 0.25 . 1 . . . . 43 THR CG2 . 6927 1 496 . 1 1 43 43 THR N N 15 123.575 0.06 . 1 . . . . 43 THR N . 6927 1 497 . 1 1 44 44 GLU H H 1 9.226 0.015 . 1 . . . . 44 GLU H . 6927 1 498 . 1 1 44 44 GLU HA H 1 2.921 0.015 . 1 . . . . 44 GLU HA . 6927 1 499 . 1 1 44 44 GLU HB2 H 1 1.702 0.015 . 1 . . . . 44 GLU HB2 . 6927 1 500 . 1 1 44 44 GLU HB3 H 1 1.651 0.001 . 1 . . . . 44 GLU HB3 . 6927 1 501 . 1 1 44 44 GLU HG2 H 1 1.879 0.015 . 1 . . . . 44 GLU HG2 . 6927 1 502 . 1 1 44 44 GLU HG3 H 1 1.845 0.015 . 1 . . . . 44 GLU HG3 . 6927 1 503 . 1 1 44 44 GLU C C 13 177.214 0.25 . 1 . . . . 44 GLU C . 6927 1 504 . 1 1 44 44 GLU CA C 13 58.363 0.25 . 1 . . . . 44 GLU CA . 6927 1 505 . 1 1 44 44 GLU CB C 13 28.291 0.25 . 1 . . . . 44 GLU CB . 6927 1 506 . 1 1 44 44 GLU CG C 13 36.002 0.25 . 1 . . . . 44 GLU CG . 6927 1 507 . 1 1 44 44 GLU N N 15 133.185 0.06 . 1 . . . . 44 GLU N . 6927 1 508 . 1 1 45 45 GLY H H 1 9.244 0.015 . 1 . . . . 45 GLY H . 6927 1 509 . 1 1 45 45 GLY HA2 H 1 4.107 0.005 . 1 . . . . 45 GLY HA2 . 6927 1 510 . 1 1 45 45 GLY HA3 H 1 3.711 0.015 . 1 . . . . 45 GLY HA3 . 6927 1 511 . 1 1 45 45 GLY C C 13 174.693 0.25 . 1 . . . . 45 GLY C . 6927 1 512 . 1 1 45 45 GLY CA C 13 45.255 0.25 . 1 . . . . 45 GLY CA . 6927 1 513 . 1 1 45 45 GLY N N 15 116.666 0.06 . 1 . . . . 45 GLY N . 6927 1 514 . 1 1 46 46 GLY H H 1 7.658 0.015 . 1 . . . . 46 GLY H . 6927 1 515 . 1 1 46 46 GLY HA2 H 1 4.109 0.004 . 1 . . . . 46 GLY HA2 . 6927 1 516 . 1 1 46 46 GLY HA3 H 1 3.707 0.001 . 1 . . . . 46 GLY HA3 . 6927 1 517 . 1 1 46 46 GLY C C 13 173.871 0.25 . 1 . . . . 46 GLY C . 6927 1 518 . 1 1 46 46 GLY CA C 13 44.998 0.25 . 1 . . . . 46 GLY CA . 6927 1 519 . 1 1 46 46 GLY N N 15 107.175 0.06 . 1 . . . . 46 GLY N . 6927 1 520 . 1 1 47 47 ALA H H 1 8.791 0.015 . 1 . . . . 47 ALA H . 6927 1 521 . 1 1 47 47 ALA HA H 1 3.810 0.002 . 1 . . . . 47 ALA HA . 6927 1 522 . 1 1 47 47 ALA HB1 H 1 1.382 0.003 . 1 . . . . 47 ALA QB . 6927 1 523 . 1 1 47 47 ALA HB2 H 1 1.382 0.003 . 1 . . . . 47 ALA QB . 6927 1 524 . 1 1 47 47 ALA HB3 H 1 1.382 0.003 . 1 . . . . 47 ALA QB . 6927 1 525 . 1 1 47 47 ALA C C 13 180.874 0.25 . 1 . . . . 47 ALA C . 6927 1 526 . 1 1 47 47 ALA CA C 13 56.050 0.25 . 1 . . . . 47 ALA CA . 6927 1 527 . 1 1 47 47 ALA CB C 13 18.267 0.25 . 1 . . . . 47 ALA CB . 6927 1 528 . 1 1 47 47 ALA N N 15 120.647 0.06 . 1 . . . . 47 ALA N . 6927 1 529 . 1 1 48 48 ALA H H 1 7.708 0.015 . 1 . . . . 48 ALA H . 6927 1 530 . 1 1 48 48 ALA HA H 1 4.006 0.015 . 1 . . . . 48 ALA HA . 6927 1 531 . 1 1 48 48 ALA HB1 H 1 1.148 0.001 . 1 . . . . 48 ALA QB . 6927 1 532 . 1 1 48 48 ALA HB2 H 1 1.148 0.001 . 1 . . . . 48 ALA QB . 6927 1 533 . 1 1 48 48 ALA HB3 H 1 1.148 0.001 . 1 . . . . 48 ALA QB . 6927 1 534 . 1 1 48 48 ALA C C 13 180.790 0.25 . 1 . . . . 48 ALA C . 6927 1 535 . 1 1 48 48 ALA CA C 13 54.765 0.25 . 1 . . . . 48 ALA CA . 6927 1 536 . 1 1 48 48 ALA CB C 13 17.753 0.25 . 1 . . . . 48 ALA CB . 6927 1 537 . 1 1 48 48 ALA N N 15 119.167 0.06 . 1 . . . . 48 ALA N . 6927 1 538 . 1 1 49 49 HIS H H 1 9.233 0.015 . 1 . . . . 49 HIS H . 6927 1 539 . 1 1 49 49 HIS HA H 1 3.995 0.004 . 1 . . . . 49 HIS HA . 6927 1 540 . 1 1 49 49 HIS HB2 H 1 3.049 0.008 . 1 . . . . 49 HIS QB . 6927 1 541 . 1 1 49 49 HIS HB3 H 1 3.049 0.008 . 1 . . . . 49 HIS QB . 6927 1 542 . 1 1 49 49 HIS HD2 H 1 7.969 0.002 . 1 . . . . 49 HIS HD2 . 6927 1 543 . 1 1 49 49 HIS HE1 H 1 6.888 0.015 . 1 . . . . 49 HIS HE1 . 6927 1 544 . 1 1 49 49 HIS C C 13 177.510 0.25 . 1 . . . . 49 HIS C . 6927 1 545 . 1 1 49 49 HIS CA C 13 59.648 0.25 . 1 . . . . 49 HIS CA . 6927 1 546 . 1 1 49 49 HIS CB C 13 32.404 0.25 . 1 . . . . 49 HIS CB . 6927 1 547 . 1 1 49 49 HIS N N 15 124.956 0.06 . 1 . . . . 49 HIS N . 6927 1 548 . 1 1 50 50 ARG H H 1 8.571 0.015 . 1 . . . . 50 ARG H . 6927 1 549 . 1 1 50 50 ARG HA H 1 3.683 0.015 . 1 . . . . 50 ARG HA . 6927 1 550 . 1 1 50 50 ARG HB2 H 1 1.704 0.001 . 1 . . . . 50 ARG HB2 . 6927 1 551 . 1 1 50 50 ARG HB3 H 1 1.640 0.002 . 1 . . . . 50 ARG HB3 . 6927 1 552 . 1 1 50 50 ARG HG2 H 1 1.712 0.002 . 1 . . . . 50 ARG HG2 . 6927 1 553 . 1 1 50 50 ARG HG3 H 1 1.390 0.015 . 1 . . . . 50 ARG HG3 . 6927 1 554 . 1 1 50 50 ARG HD2 H 1 3.164 0.015 . 1 . . . . 50 ARG HD2 . 6927 1 555 . 1 1 50 50 ARG HD3 H 1 3.040 0.015 . 1 . . . . 50 ARG HD3 . 6927 1 556 . 1 1 50 50 ARG C C 13 178.533 0.25 . 1 . . . . 50 ARG C . 6927 1 557 . 1 1 50 50 ARG CA C 13 59.391 0.25 . 1 . . . . 50 ARG CA . 6927 1 558 . 1 1 50 50 ARG CB C 13 30.091 0.25 . 1 . . . . 50 ARG CB . 6927 1 559 . 1 1 50 50 ARG CG C 13 27.777 0.25 . 1 . . . . 50 ARG CG . 6927 1 560 . 1 1 50 50 ARG CD C 13 43.199 0.25 . 1 . . . . 50 ARG CD . 6927 1 561 . 1 1 50 50 ARG N N 15 117.458 0.06 . 1 . . . . 50 ARG N . 6927 1 562 . 1 1 51 51 ASP H H 1 7.384 0.015 . 1 . . . . 51 ASP H . 6927 1 563 . 1 1 51 51 ASP HA H 1 4.243 0.015 . 1 . . . . 51 ASP HA . 6927 1 564 . 1 1 51 51 ASP HB2 H 1 2.622 0.015 . 1 . . . . 51 ASP HB2 . 6927 1 565 . 1 1 51 51 ASP HB3 H 1 2.446 0.015 . 1 . . . . 51 ASP HB3 . 6927 1 566 . 1 1 51 51 ASP C C 13 177.594 0.25 . 1 . . . . 51 ASP C . 6927 1 567 . 1 1 51 51 ASP CA C 13 57.078 0.25 . 1 . . . . 51 ASP CA . 6927 1 568 . 1 1 51 51 ASP CB C 13 43.970 0.25 . 1 . . . . 51 ASP CB . 6927 1 569 . 1 1 51 51 ASP N N 15 117.660 0.06 . 1 . . . . 51 ASP N . 6927 1 570 . 1 1 52 52 GLY H H 1 7.412 0.015 . 1 . . . . 52 GLY H . 6927 1 571 . 1 1 52 52 GLY HA2 H 1 3.849 0.015 . 1 . . . . 52 GLY HA2 . 6927 1 572 . 1 1 52 52 GLY HA3 H 1 3.674 0.001 . 1 . . . . 52 GLY HA3 . 6927 1 573 . 1 1 52 52 GLY C C 13 175.010 0.25 . 1 . . . . 52 GLY C . 6927 1 574 . 1 1 52 52 GLY CA C 13 46.283 0.25 . 1 . . . . 52 GLY CA . 6927 1 575 . 1 1 52 52 GLY N N 15 103.672 0.06 . 1 . . . . 52 GLY N . 6927 1 576 . 1 1 53 53 ARG H H 1 7.764 0.015 . 1 . . . . 53 ARG H . 6927 1 577 . 1 1 53 53 ARG HA H 1 3.993 0.015 . 1 . . . . 53 ARG HA . 6927 1 578 . 1 1 53 53 ARG HB2 H 1 1.845 0.001 . 1 . . . . 53 ARG HB2 . 6927 1 579 . 1 1 53 53 ARG HB3 H 1 1.757 0.001 . 1 . . . . 53 ARG HB3 . 6927 1 580 . 1 1 53 53 ARG HG2 H 1 1.618 0.015 . 1 . . . . 53 ARG HG2 . 6927 1 581 . 1 1 53 53 ARG HG3 H 1 1.524 0.015 . 1 . . . . 53 ARG HG3 . 6927 1 582 . 1 1 53 53 ARG HD2 H 1 3.095 0.015 . 1 . . . . 53 ARG QD . 6927 1 583 . 1 1 53 53 ARG HD3 H 1 3.095 0.015 . 1 . . . . 53 ARG QD . 6927 1 584 . 1 1 53 53 ARG C C 13 176.476 0.25 . 1 . . . . 53 ARG C . 6927 1 585 . 1 1 53 53 ARG CA C 13 58.620 0.25 . 1 . . . . 53 ARG CA . 6927 1 586 . 1 1 53 53 ARG CB C 13 30.091 0.25 . 1 . . . . 53 ARG CB . 6927 1 587 . 1 1 53 53 ARG CG C 13 27.777 0.25 . 1 . . . . 53 ARG CG . 6927 1 588 . 1 1 53 53 ARG CD C 13 43.456 0.25 . 1 . . . . 53 ARG CD . 6927 1 589 . 1 1 53 53 ARG N N 15 119.108 0.06 . 1 . . . . 53 ARG N . 6927 1 590 . 1 1 54 54 ILE H H 1 8.828 0.015 . 1 . . . . 54 ILE H . 6927 1 591 . 1 1 54 54 ILE HA H 1 3.778 0.001 . 1 . . . . 54 ILE HA . 6927 1 592 . 1 1 54 54 ILE HB H 1 1.235 0.015 . 1 . . . . 54 ILE HB . 6927 1 593 . 1 1 54 54 ILE HG12 H 1 1.528 0.002 . 1 . . . . 54 ILE HG12 . 6927 1 594 . 1 1 54 54 ILE HG13 H 1 0.525 0.039 . 1 . . . . 54 ILE HG13 . 6927 1 595 . 1 1 54 54 ILE HG21 H 1 0.564 0.015 . 1 . . . . 54 ILE QG2 . 6927 1 596 . 1 1 54 54 ILE HG22 H 1 0.564 0.015 . 1 . . . . 54 ILE QG2 . 6927 1 597 . 1 1 54 54 ILE HG23 H 1 0.564 0.015 . 1 . . . . 54 ILE QG2 . 6927 1 598 . 1 1 54 54 ILE HD11 H 1 0.092 0.002 . 1 . . . . 54 ILE QD1 . 6927 1 599 . 1 1 54 54 ILE HD12 H 1 0.092 0.002 . 1 . . . . 54 ILE QD1 . 6927 1 600 . 1 1 54 54 ILE HD13 H 1 0.092 0.002 . 1 . . . . 54 ILE QD1 . 6927 1 601 . 1 1 54 54 ILE C C 13 174.103 0.25 . 1 . . . . 54 ILE C . 6927 1 602 . 1 1 54 54 ILE CA C 13 62.475 0.25 . 1 . . . . 54 ILE CA . 6927 1 603 . 1 1 54 54 ILE CB C 13 38.572 0.25 . 1 . . . . 54 ILE CB . 6927 1 604 . 1 1 54 54 ILE CG1 C 13 29.062 0.25 . 1 . . . . 54 ILE CG1 . 6927 1 605 . 1 1 54 54 ILE CG2 C 13 18.010 0.25 . 1 . . . . 54 ILE CG2 . 6927 1 606 . 1 1 54 54 ILE CD1 C 13 12.870 0.25 . 1 . . . . 54 ILE CD1 . 6927 1 607 . 1 1 54 54 ILE N N 15 120.524 0.06 . 1 . . . . 54 ILE N . 6927 1 608 . 1 1 55 55 GLN H H 1 9.012 0.015 . 1 . . . . 55 GLN H . 6927 1 609 . 1 1 55 55 GLN HA H 1 4.462 0.015 . 1 . . . . 55 GLN HA . 6927 1 610 . 1 1 55 55 GLN HB2 H 1 1.934 0.015 . 1 . . . . 55 GLN HB2 . 6927 1 611 . 1 1 55 55 GLN HB3 H 1 1.679 0.003 . 1 . . . . 55 GLN HB3 . 6927 1 612 . 1 1 55 55 GLN HG2 H 1 2.249 0.015 . 1 . . . . 55 GLN HG2 . 6927 1 613 . 1 1 55 55 GLN HG3 H 1 2.171 0.015 . 1 . . . . 55 GLN HG3 . 6927 1 614 . 1 1 55 55 GLN C C 13 175.242 0.25 . 1 . . . . 55 GLN C . 6927 1 615 . 1 1 55 55 GLN CA C 13 52.709 0.25 . 1 . . . . 55 GLN CA . 6927 1 616 . 1 1 55 55 GLN CB C 13 32.404 0.25 . 1 . . . . 55 GLN CB . 6927 1 617 . 1 1 55 55 GLN CG C 13 33.175 0.25 . 1 . . . . 55 GLN CG . 6927 1 618 . 1 1 55 55 GLN N N 15 125.702 0.06 . 1 . . . . 55 GLN N . 6927 1 619 . 1 1 56 56 VAL H H 1 8.218 0.015 . 1 . . . . 56 VAL H . 6927 1 620 . 1 1 56 56 VAL HA H 1 3.107 0.002 . 1 . . . . 56 VAL HA . 6927 1 621 . 1 1 56 56 VAL HB H 1 1.700 0.001 . 1 . . . . 56 VAL HB . 6927 1 622 . 1 1 56 56 VAL HG11 H 1 0.806 0.015 . 2 . . . . 56 VAL QG1 . 6927 1 623 . 1 1 56 56 VAL HG12 H 1 0.806 0.015 . 2 . . . . 56 VAL QG1 . 6927 1 624 . 1 1 56 56 VAL HG13 H 1 0.806 0.015 . 2 . . . . 56 VAL QG1 . 6927 1 625 . 1 1 56 56 VAL HG21 H 1 0.794 0.015 . 2 . . . . 56 VAL QG2 . 6927 1 626 . 1 1 56 56 VAL HG22 H 1 0.794 0.015 . 2 . . . . 56 VAL QG2 . 6927 1 627 . 1 1 56 56 VAL HG23 H 1 0.794 0.015 . 2 . . . . 56 VAL QG2 . 6927 1 628 . 1 1 56 56 VAL C C 13 177.784 0.25 . 1 . . . . 56 VAL C . 6927 1 629 . 1 1 56 56 VAL CA C 13 65.303 0.25 . 1 . . . . 56 VAL CA . 6927 1 630 . 1 1 56 56 VAL CB C 13 31.633 0.25 . 1 . . . . 56 VAL CB . 6927 1 631 . 1 1 56 56 VAL CG1 C 13 23.151 0.25 . 1 . . . . 56 VAL CG1 . 6927 1 632 . 1 1 56 56 VAL CG2 C 13 21.352 0.25 . 1 . . . . 56 VAL CG2 . 6927 1 633 . 1 1 56 56 VAL N N 15 119.278 0.06 . 1 . . . . 56 VAL N . 6927 1 634 . 1 1 57 57 ASN H H 1 9.170 0.015 . 1 . . . . 57 ASN H . 6927 1 635 . 1 1 57 57 ASN HA H 1 4.179 0.015 . 1 . . . . 57 ASN HA . 6927 1 636 . 1 1 57 57 ASN HB2 H 1 3.209 0.015 . 1 . . . . 57 ASN HB2 . 6927 1 637 . 1 1 57 57 ASN HB3 H 1 3.017 0.004 . 1 . . . . 57 ASN HB3 . 6927 1 638 . 1 1 57 57 ASN HD21 H 1 7.530 0.001 . 1 . . . . 57 ASN HD21 . 6927 1 639 . 1 1 57 57 ASN HD22 H 1 6.653 0.010 . 1 . . . . 57 ASN HD22 . 6927 1 640 . 1 1 57 57 ASN C C 13 174.451 0.25 . 1 . . . . 57 ASN C . 6927 1 641 . 1 1 57 57 ASN CA C 13 56.307 0.25 . 1 . . . . 57 ASN CA . 6927 1 642 . 1 1 57 57 ASN CB C 13 37.287 0.25 . 1 . . . . 57 ASN CB . 6927 1 643 . 1 1 57 57 ASN N N 15 120.108 0.06 . 1 . . . . 57 ASN N . 6927 1 644 . 1 1 57 57 ASN ND2 N 15 112.715 0.06 . 1 . . . . 57 ASN ND2 . 6927 1 645 . 1 1 58 58 ASP H H 1 7.915 0.015 . 1 . . . . 58 ASP H . 6927 1 646 . 1 1 58 58 ASP HA H 1 4.411 0.003 . 1 . . . . 58 ASP HA . 6927 1 647 . 1 1 58 58 ASP HB2 H 1 2.594 0.015 . 1 . . . . 58 ASP HB2 . 6927 1 648 . 1 1 58 58 ASP HB3 H 1 2.498 0.015 . 1 . . . . 58 ASP HB3 . 6927 1 649 . 1 1 58 58 ASP C C 13 174.894 0.25 . 1 . . . . 58 ASP C . 6927 1 650 . 1 1 58 58 ASP CA C 13 55.022 0.25 . 1 . . . . 58 ASP CA . 6927 1 651 . 1 1 58 58 ASP CB C 13 40.885 0.25 . 1 . . . . 58 ASP CB . 6927 1 652 . 1 1 58 58 ASP N N 15 121.355 0.06 . 1 . . . . 58 ASP N . 6927 1 653 . 1 1 59 59 LEU H H 1 8.946 0.015 . 1 . . . . 59 LEU H . 6927 1 654 . 1 1 59 59 LEU HA H 1 4.152 0.002 . 1 . . . . 59 LEU HA . 6927 1 655 . 1 1 59 59 LEU HB2 H 1 1.450 0.008 . 1 . . . . 59 LEU HB2 . 6927 1 656 . 1 1 59 59 LEU HB3 H 1 1.030 0.004 . 1 . . . . 59 LEU HB3 . 6927 1 657 . 1 1 59 59 LEU HG H 1 0.764 0.015 . 1 . . . . 59 LEU HG . 6927 1 658 . 1 1 59 59 LEU HD11 H 1 0.419 0.002 . 2 . . . . 59 LEU QD1 . 6927 1 659 . 1 1 59 59 LEU HD12 H 1 0.419 0.002 . 2 . . . . 59 LEU QD1 . 6927 1 660 . 1 1 59 59 LEU HD13 H 1 0.419 0.002 . 2 . . . . 59 LEU QD1 . 6927 1 661 . 1 1 59 59 LEU HD21 H 1 0.021 0.001 . 2 . . . . 59 LEU QD2 . 6927 1 662 . 1 1 59 59 LEU HD22 H 1 0.021 0.001 . 2 . . . . 59 LEU QD2 . 6927 1 663 . 1 1 59 59 LEU HD23 H 1 0.021 0.001 . 2 . . . . 59 LEU QD2 . 6927 1 664 . 1 1 59 59 LEU C C 13 176.571 0.25 . 1 . . . . 59 LEU C . 6927 1 665 . 1 1 59 59 LEU CA C 13 53.480 0.25 . 1 . . . . 59 LEU CA . 6927 1 666 . 1 1 59 59 LEU CB C 13 44.484 0.25 . 1 . . . . 59 LEU CB . 6927 1 667 . 1 1 59 59 LEU CG C 13 26.749 0.25 . 1 . . . . 59 LEU CG . 6927 1 668 . 1 1 59 59 LEU CD1 C 13 26.749 0.25 . 1 . . . . 59 LEU CD1 . 6927 1 669 . 1 1 59 59 LEU CD2 C 13 22.380 0.25 . 1 . . . . 59 LEU CD2 . 6927 1 670 . 1 1 59 59 LEU N N 15 122.346 0.06 . 1 . . . . 59 LEU N . 6927 1 671 . 1 1 60 60 LEU H H 1 8.880 0.015 . 1 . . . . 60 LEU H . 6927 1 672 . 1 1 60 60 LEU HA H 1 4.346 0.005 . 1 . . . . 60 LEU HA . 6927 1 673 . 1 1 60 60 LEU HB2 H 1 1.668 0.001 . 1 . . . . 60 LEU HB2 . 6927 1 674 . 1 1 60 60 LEU HB3 H 1 0.813 0.015 . 1 . . . . 60 LEU HB3 . 6927 1 675 . 1 1 60 60 LEU HG H 1 1.311 0.002 . 1 . . . . 60 LEU HG . 6927 1 676 . 1 1 60 60 LEU HD11 H 1 0.495 0.001 . 2 . . . . 60 LEU QD1 . 6927 1 677 . 1 1 60 60 LEU HD12 H 1 0.495 0.001 . 2 . . . . 60 LEU QD1 . 6927 1 678 . 1 1 60 60 LEU HD13 H 1 0.495 0.001 . 2 . . . . 60 LEU QD1 . 6927 1 679 . 1 1 60 60 LEU HD21 H 1 0.326 0.015 . 2 . . . . 60 LEU QD2 . 6927 1 680 . 1 1 60 60 LEU HD22 H 1 0.326 0.015 . 2 . . . . 60 LEU QD2 . 6927 1 681 . 1 1 60 60 LEU HD23 H 1 0.326 0.015 . 2 . . . . 60 LEU QD2 . 6927 1 682 . 1 1 60 60 LEU C C 13 174.504 0.25 . 1 . . . . 60 LEU C . 6927 1 683 . 1 1 60 60 LEU CA C 13 53.480 0.25 . 1 . . . . 60 LEU CA . 6927 1 684 . 1 1 60 60 LEU CB C 13 41.400 0.25 . 1 . . . . 60 LEU CB . 6927 1 685 . 1 1 60 60 LEU CG C 13 26.492 0.25 . 1 . . . . 60 LEU CG . 6927 1 686 . 1 1 60 60 LEU CD1 C 13 26.235 0.25 . 1 . . . . 60 LEU CD1 . 6927 1 687 . 1 1 60 60 LEU CD2 C 13 23.408 0.25 . 1 . . . . 60 LEU CD2 . 6927 1 688 . 1 1 60 60 LEU N N 15 124.874 0.06 . 1 . . . . 60 LEU N . 6927 1 689 . 1 1 61 61 VAL H H 1 8.195 0.015 . 1 . . . . 61 VAL H . 6927 1 690 . 1 1 61 61 VAL HA H 1 3.623 0.004 . 1 . . . . 61 VAL HA . 6927 1 691 . 1 1 61 61 VAL HB H 1 1.466 0.001 . 1 . . . . 61 VAL HB . 6927 1 692 . 1 1 61 61 VAL HG11 H 1 0.513 0.015 . 2 . . . . 61 VAL QG1 . 6927 1 693 . 1 1 61 61 VAL HG12 H 1 0.513 0.015 . 2 . . . . 61 VAL QG1 . 6927 1 694 . 1 1 61 61 VAL HG13 H 1 0.513 0.015 . 2 . . . . 61 VAL QG1 . 6927 1 695 . 1 1 61 61 VAL HG21 H 1 0.659 0.001 . 2 . . . . 61 VAL QG2 . 6927 1 696 . 1 1 61 61 VAL HG22 H 1 0.659 0.001 . 2 . . . . 61 VAL QG2 . 6927 1 697 . 1 1 61 61 VAL HG23 H 1 0.659 0.001 . 2 . . . . 61 VAL QG2 . 6927 1 698 . 1 1 61 61 VAL C C 13 176.845 0.25 . 1 . . . . 61 VAL C . 6927 1 699 . 1 1 61 61 VAL CA C 13 64.532 0.25 . 1 . . . . 61 VAL CA . 6927 1 700 . 1 1 61 61 VAL CB C 13 32.404 0.25 . 1 . . . . 61 VAL CB . 6927 1 701 . 1 1 61 61 VAL CG1 C 13 21.866 0.25 . 1 . . . . 61 VAL CG1 . 6927 1 702 . 1 1 61 61 VAL CG2 C 13 21.095 0.25 . 1 . . . . 61 VAL CG2 . 6927 1 703 . 1 1 61 61 VAL N N 15 124.409 0.06 . 1 . . . . 61 VAL N . 6927 1 704 . 1 1 62 62 GLU H H 1 7.645 0.015 . 1 . . . . 62 GLU H . 6927 1 705 . 1 1 62 62 GLU HA H 1 4.111 0.001 . 1 . . . . 62 GLU HA . 6927 1 706 . 1 1 62 62 GLU HB2 H 1 1.937 0.001 . 1 . . . . 62 GLU HB2 . 6927 1 707 . 1 1 62 62 GLU HB3 H 1 1.833 0.001 . 1 . . . . 62 GLU HB3 . 6927 1 708 . 1 1 62 62 GLU HG2 H 1 2.208 0.001 . 1 . . . . 62 GLU QG . 6927 1 709 . 1 1 62 62 GLU HG3 H 1 2.208 0.001 . 1 . . . . 62 GLU QG . 6927 1 710 . 1 1 62 62 GLU C C 13 174.841 0.25 . 1 . . . . 62 GLU C . 6927 1 711 . 1 1 62 62 GLU CA C 13 55.022 0.25 . 1 . . . . 62 GLU CA . 6927 1 712 . 1 1 62 62 GLU CB C 13 35.745 0.25 . 1 . . . . 62 GLU CB . 6927 1 713 . 1 1 62 62 GLU CG C 13 36.773 0.25 . 1 . . . . 62 GLU CG . 6927 1 714 . 1 1 62 62 GLU N N 15 118.103 0.06 . 1 . . . . 62 GLU N . 6927 1 715 . 1 1 63 63 VAL H H 1 8.306 0.015 . 1 . . . . 63 VAL H . 6927 1 716 . 1 1 63 63 VAL HA H 1 4.311 0.005 . 1 . . . . 63 VAL HA . 6927 1 717 . 1 1 63 63 VAL HB H 1 1.478 0.001 . 1 . . . . 63 VAL HB . 6927 1 718 . 1 1 63 63 VAL HG11 H 1 0.505 0.003 . 2 . . . . 63 VAL QG1 . 6927 1 719 . 1 1 63 63 VAL HG12 H 1 0.505 0.003 . 2 . . . . 63 VAL QG1 . 6927 1 720 . 1 1 63 63 VAL HG13 H 1 0.505 0.003 . 2 . . . . 63 VAL QG1 . 6927 1 721 . 1 1 63 63 VAL HG21 H 1 0.271 0.015 . 2 . . . . 63 VAL QG2 . 6927 1 722 . 1 1 63 63 VAL HG22 H 1 0.271 0.015 . 2 . . . . 63 VAL QG2 . 6927 1 723 . 1 1 63 63 VAL HG23 H 1 0.271 0.015 . 2 . . . . 63 VAL QG2 . 6927 1 724 . 1 1 63 63 VAL C C 13 174.672 0.25 . 1 . . . . 63 VAL C . 6927 1 725 . 1 1 63 63 VAL CA C 13 60.676 0.25 . 1 . . . . 63 VAL CA . 6927 1 726 . 1 1 63 63 VAL CB C 13 34.460 0.25 . 1 . . . . 63 VAL CB . 6927 1 727 . 1 1 63 63 VAL CG1 C 13 22.123 0.25 . 1 . . . . 63 VAL CG1 . 6927 1 728 . 1 1 63 63 VAL CG2 C 13 20.581 0.25 . 1 . . . . 63 VAL CG2 . 6927 1 729 . 1 1 63 63 VAL N N 15 121.718 0.06 . 1 . . . . 63 VAL N . 6927 1 730 . 1 1 64 64 ASP H H 1 9.599 0.015 . 1 . . . . 64 ASP H . 6927 1 731 . 1 1 64 64 ASP HA H 1 4.126 0.001 . 1 . . . . 64 ASP HA . 6927 1 732 . 1 1 64 64 ASP HB2 H 1 2.783 0.015 . 1 . . . . 64 ASP HB2 . 6927 1 733 . 1 1 64 64 ASP HB3 H 1 2.351 0.015 . 1 . . . . 64 ASP HB3 . 6927 1 734 . 1 1 64 64 ASP C C 13 176.096 0.25 . 1 . . . . 64 ASP C . 6927 1 735 . 1 1 64 64 ASP CA C 13 55.536 0.25 . 1 . . . . 64 ASP CA . 6927 1 736 . 1 1 64 64 ASP CB C 13 39.857 0.25 . 1 . . . . 64 ASP CB . 6927 1 737 . 1 1 64 64 ASP N N 15 128.765 0.06 . 1 . . . . 64 ASP N . 6927 1 738 . 1 1 65 65 GLY H H 1 8.399 0.015 . 1 . . . . 65 GLY H . 6927 1 739 . 1 1 65 65 GLY HA2 H 1 3.990 0.003 . 1 . . . . 65 GLY HA2 . 6927 1 740 . 1 1 65 65 GLY HA3 H 1 3.449 0.002 . 1 . . . . 65 GLY HA3 . 6927 1 741 . 1 1 65 65 GLY C C 13 174.124 0.25 . 1 . . . . 65 GLY C . 6927 1 742 . 1 1 65 65 GLY CA C 13 45.512 0.25 . 1 . . . . 65 GLY CA . 6927 1 743 . 1 1 65 65 GLY N N 15 103.874 0.06 . 1 . . . . 65 GLY N . 6927 1 744 . 1 1 66 66 THR H H 1 8.299 0.015 . 1 . . . . 66 THR H . 6927 1 745 . 1 1 66 66 THR HA H 1 4.178 0.015 . 1 . . . . 66 THR HA . 6927 1 746 . 1 1 66 66 THR HB H 1 4.085 0.015 . 1 . . . . 66 THR HB . 6927 1 747 . 1 1 66 66 THR HG21 H 1 1.064 0.001 . 1 . . . . 66 THR QG2 . 6927 1 748 . 1 1 66 66 THR HG22 H 1 1.064 0.001 . 1 . . . . 66 THR QG2 . 6927 1 749 . 1 1 66 66 THR HG23 H 1 1.064 0.001 . 1 . . . . 66 THR QG2 . 6927 1 750 . 1 1 66 66 THR C C 13 173.480 0.25 . 1 . . . . 66 THR C . 6927 1 751 . 1 1 66 66 THR CA C 13 62.218 0.25 . 1 . . . . 66 THR CA . 6927 1 752 . 1 1 66 66 THR CB C 13 69.158 0.25 . 1 . . . . 66 THR CB . 6927 1 753 . 1 1 66 66 THR CG2 C 13 21.609 0.25 . 1 . . . . 66 THR CG2 . 6927 1 754 . 1 1 66 66 THR N N 15 120.011 0.06 . 1 . . . . 66 THR N . 6927 1 755 . 1 1 67 67 SER H H 1 8.823 0.015 . 1 . . . . 67 SER H . 6927 1 756 . 1 1 67 67 SER HA H 1 4.268 0.015 . 1 . . . . 67 SER HA . 6927 1 757 . 1 1 67 67 SER HB2 H 1 3.759 0.001 . 1 . . . . 67 SER HB2 . 6927 1 758 . 1 1 67 67 SER HB3 H 1 3.695 0.001 . 1 . . . . 67 SER HB3 . 6927 1 759 . 1 1 67 67 SER C C 13 175.263 0.25 . 1 . . . . 67 SER C . 6927 1 760 . 1 1 67 67 SER CA C 13 58.620 0.25 . 1 . . . . 67 SER CA . 6927 1 761 . 1 1 67 67 SER CB C 13 63.504 0.25 . 1 . . . . 67 SER CB . 6927 1 762 . 1 1 67 67 SER N N 15 121.690 0.06 . 1 . . . . 67 SER N . 6927 1 763 . 1 1 68 68 LEU H H 1 8.237 0.015 . 1 . . . . 68 LEU H . 6927 1 764 . 1 1 68 68 LEU HA H 1 4.660 0.015 . 1 . . . . 68 LEU HA . 6927 1 765 . 1 1 68 68 LEU HB2 H 1 1.602 0.002 . 1 . . . . 68 LEU HB2 . 6927 1 766 . 1 1 68 68 LEU HB3 H 1 1.351 0.002 . 1 . . . . 68 LEU HB3 . 6927 1 767 . 1 1 68 68 LEU HG H 1 1.347 0.001 . 1 . . . . 68 LEU HG . 6927 1 768 . 1 1 68 68 LEU HD11 H 1 0.609 0.003 . 2 . . . . 68 LEU QD1 . 6927 1 769 . 1 1 68 68 LEU HD12 H 1 0.609 0.003 . 2 . . . . 68 LEU QD1 . 6927 1 770 . 1 1 68 68 LEU HD13 H 1 0.609 0.003 . 2 . . . . 68 LEU QD1 . 6927 1 771 . 1 1 68 68 LEU HD21 H 1 0.725 0.002 . 2 . . . . 68 LEU QD2 . 6927 1 772 . 1 1 68 68 LEU HD22 H 1 0.725 0.002 . 2 . . . . 68 LEU QD2 . 6927 1 773 . 1 1 68 68 LEU HD23 H 1 0.725 0.002 . 2 . . . . 68 LEU QD2 . 6927 1 774 . 1 1 68 68 LEU C C 13 175.790 0.25 . 1 . . . . 68 LEU C . 6927 1 775 . 1 1 68 68 LEU CA C 13 52.966 0.25 . 1 . . . . 68 LEU CA . 6927 1 776 . 1 1 68 68 LEU CB C 13 40.371 0.25 . 1 . . . . 68 LEU CB . 6927 1 777 . 1 1 68 68 LEU CG C 13 27.263 0.25 . 1 . . . . 68 LEU CG . 6927 1 778 . 1 1 68 68 LEU CD1 C 13 26.492 0.25 . 1 . . . . 68 LEU CD1 . 6927 1 779 . 1 1 68 68 LEU CD2 C 13 23.665 0.25 . 1 . . . . 68 LEU CD2 . 6927 1 780 . 1 1 68 68 LEU N N 15 125.444 0.06 . 1 . . . . 68 LEU N . 6927 1 781 . 1 1 69 69 VAL H H 1 7.974 0.015 . 1 . . . . 69 VAL H . 6927 1 782 . 1 1 69 69 VAL HA H 1 3.734 0.002 . 1 . . . . 69 VAL HA . 6927 1 783 . 1 1 69 69 VAL HB H 1 2.079 0.015 . 1 . . . . 69 VAL HB . 6927 1 784 . 1 1 69 69 VAL HG11 H 1 0.544 0.015 . 2 . . . . 69 VAL QG1 . 6927 1 785 . 1 1 69 69 VAL HG12 H 1 0.544 0.015 . 2 . . . . 69 VAL QG1 . 6927 1 786 . 1 1 69 69 VAL HG13 H 1 0.544 0.015 . 2 . . . . 69 VAL QG1 . 6927 1 787 . 1 1 69 69 VAL HG21 H 1 0.620 0.015 . 2 . . . . 69 VAL QG2 . 6927 1 788 . 1 1 69 69 VAL HG22 H 1 0.620 0.015 . 2 . . . . 69 VAL QG2 . 6927 1 789 . 1 1 69 69 VAL HG23 H 1 0.620 0.015 . 2 . . . . 69 VAL QG2 . 6927 1 790 . 1 1 69 69 VAL C C 13 178.132 0.25 . 1 . . . . 69 VAL C . 6927 1 791 . 1 1 69 69 VAL CA C 13 63.504 0.25 . 1 . . . . 69 VAL CA . 6927 1 792 . 1 1 69 69 VAL CB C 13 31.633 0.25 . 1 . . . . 69 VAL CB . 6927 1 793 . 1 1 69 69 VAL CG1 C 13 22.380 0.25 . 1 . . . . 69 VAL CG1 . 6927 1 794 . 1 1 69 69 VAL CG2 C 13 21.609 0.25 . 1 . . . . 69 VAL CG2 . 6927 1 795 . 1 1 69 69 VAL N N 15 124.874 0.06 . 1 . . . . 69 VAL N . 6927 1 796 . 1 1 70 70 GLY H H 1 8.522 0.015 . 1 . . . . 70 GLY H . 6927 1 797 . 1 1 70 70 GLY HA2 H 1 3.840 0.005 . 1 . . . . 70 GLY HA2 . 6927 1 798 . 1 1 70 70 GLY HA3 H 1 3.677 0.003 . 1 . . . . 70 GLY HA3 . 6927 1 799 . 1 1 70 70 GLY C C 13 174.303 0.25 . 1 . . . . 70 GLY C . 6927 1 800 . 1 1 70 70 GLY CA C 13 46.540 0.25 . 1 . . . . 70 GLY CA . 6927 1 801 . 1 1 70 70 GLY N N 15 117.673 0.06 . 1 . . . . 70 GLY N . 6927 1 802 . 1 1 71 71 VAL H H 1 7.011 0.015 . 1 . . . . 71 VAL H . 6927 1 803 . 1 1 71 71 VAL HA H 1 4.542 0.002 . 1 . . . . 71 VAL HA . 6927 1 804 . 1 1 71 71 VAL HB H 1 2.145 0.015 . 1 . . . . 71 VAL HB . 6927 1 805 . 1 1 71 71 VAL HG11 H 1 0.455 0.001 . 2 . . . . 71 VAL QG1 . 6927 1 806 . 1 1 71 71 VAL HG12 H 1 0.455 0.001 . 2 . . . . 71 VAL QG1 . 6927 1 807 . 1 1 71 71 VAL HG13 H 1 0.455 0.001 . 2 . . . . 71 VAL QG1 . 6927 1 808 . 1 1 71 71 VAL HG21 H 1 0.845 0.015 . 2 . . . . 71 VAL QG2 . 6927 1 809 . 1 1 71 71 VAL HG22 H 1 0.845 0.015 . 2 . . . . 71 VAL QG2 . 6927 1 810 . 1 1 71 71 VAL HG23 H 1 0.845 0.015 . 2 . . . . 71 VAL QG2 . 6927 1 811 . 1 1 71 71 VAL C C 13 174.936 0.25 . 1 . . . . 71 VAL C . 6927 1 812 . 1 1 71 71 VAL CA C 13 58.620 0.25 . 1 . . . . 71 VAL CA . 6927 1 813 . 1 1 71 71 VAL CB C 13 33.689 0.25 . 1 . . . . 71 VAL CB . 6927 1 814 . 1 1 71 71 VAL CG1 C 13 20.838 0.25 . 1 . . . . 71 VAL CG1 . 6927 1 815 . 1 1 71 71 VAL CG2 C 13 17.753 0.25 . 1 . . . . 71 VAL CG2 . 6927 1 816 . 1 1 71 71 VAL N N 15 111.201 0.06 . 1 . . . . 71 VAL N . 6927 1 817 . 1 1 72 72 THR H H 1 7.903 0.015 . 1 . . . . 72 THR H . 6927 1 818 . 1 1 72 72 THR HA H 1 4.286 0.007 . 1 . . . . 72 THR HA . 6927 1 819 . 1 1 72 72 THR HB H 1 4.627 0.002 . 1 . . . . 72 THR HB . 6927 1 820 . 1 1 72 72 THR HG21 H 1 1.204 0.001 . 1 . . . . 72 THR QG2 . 6927 1 821 . 1 1 72 72 THR HG22 H 1 1.204 0.001 . 1 . . . . 72 THR QG2 . 6927 1 822 . 1 1 72 72 THR HG23 H 1 1.204 0.001 . 1 . . . . 72 THR QG2 . 6927 1 823 . 1 1 72 72 THR C C 13 175.769 0.25 . 1 . . . . 72 THR C . 6927 1 824 . 1 1 72 72 THR CA C 13 60.419 0.25 . 1 . . . . 72 THR CA . 6927 1 825 . 1 1 72 72 THR CB C 13 71.214 0.25 . 1 . . . . 72 THR CB . 6927 1 826 . 1 1 72 72 THR CG2 C 13 21.866 0.25 . 1 . . . . 72 THR CG2 . 6927 1 827 . 1 1 72 72 THR N N 15 108.217 0.06 . 1 . . . . 72 THR N . 6927 1 828 . 1 1 73 73 GLN H H 1 9.066 0.015 . 1 . . . . 73 GLN H . 6927 1 829 . 1 1 73 73 GLN HA H 1 3.712 0.001 . 1 . . . . 73 GLN HA . 6927 1 830 . 1 1 73 73 GLN HB2 H 1 1.993 0.001 . 1 . . . . 73 GLN QB . 6927 1 831 . 1 1 73 73 GLN HB3 H 1 1.993 0.001 . 1 . . . . 73 GLN QB . 6927 1 832 . 1 1 73 73 GLN HG2 H 1 2.302 0.015 . 1 . . . . 73 GLN HG2 . 6927 1 833 . 1 1 73 73 GLN HG3 H 1 2.085 0.015 . 1 . . . . 73 GLN HG3 . 6927 1 834 . 1 1 73 73 GLN HE21 H 1 7.517 0.001 . 1 . . . . 73 GLN HE21 . 6927 1 835 . 1 1 73 73 GLN HE22 H 1 6.785 0.015 . 1 . . . . 73 GLN HE22 . 6927 1 836 . 1 1 73 73 GLN C C 13 177.984 0.25 . 1 . . . . 73 GLN C . 6927 1 837 . 1 1 73 73 GLN CA C 13 59.905 0.25 . 1 . . . . 73 GLN CA . 6927 1 838 . 1 1 73 73 GLN CB C 13 28.034 0.25 . 1 . . . . 73 GLN CB . 6927 1 839 . 1 1 73 73 GLN CG C 13 34.203 0.25 . 1 . . . . 73 GLN CG . 6927 1 840 . 1 1 73 73 GLN N N 15 121.273 0.06 . 1 . . . . 73 GLN N . 6927 1 841 . 1 1 73 73 GLN NE2 N 15 111.740 0.06 . 1 . . . . 73 GLN NE2 . 6927 1 842 . 1 1 74 74 SER H H 1 8.452 0.015 . 1 . . . . 74 SER H . 6927 1 843 . 1 1 74 74 SER HA H 1 4.028 0.015 . 1 . . . . 74 SER HA . 6927 1 844 . 1 1 74 74 SER HB2 H 1 3.872 0.001 . 1 . . . . 74 SER HB2 . 6927 1 845 . 1 1 74 74 SER HB3 H 1 3.792 0.001 . 1 . . . . 74 SER HB3 . 6927 1 846 . 1 1 74 74 SER C C 13 177.404 0.25 . 1 . . . . 74 SER C . 6927 1 847 . 1 1 74 74 SER CA C 13 62.218 0.25 . 1 . . . . 74 SER CA . 6927 1 848 . 1 1 74 74 SER CB C 13 62.218 0.25 . 1 . . . . 74 SER CB . 6927 1 849 . 1 1 74 74 SER N N 15 113.075 0.06 . 1 . . . . 74 SER N . 6927 1 850 . 1 1 75 75 PHE H H 1 7.965 0.015 . 1 . . . . 75 PHE H . 6927 1 851 . 1 1 75 75 PHE HA H 1 4.070 0.004 . 1 . . . . 75 PHE HA . 6927 1 852 . 1 1 75 75 PHE HB2 H 1 3.044 0.001 . 1 . . . . 75 PHE QB . 6927 1 853 . 1 1 75 75 PHE HB3 H 1 3.044 0.001 . 1 . . . . 75 PHE QB . 6927 1 854 . 1 1 75 75 PHE HD1 H 1 6.951 0.015 . 1 . . . . 75 PHE QD . 6927 1 855 . 1 1 75 75 PHE HD2 H 1 6.951 0.015 . 1 . . . . 75 PHE QD . 6927 1 856 . 1 1 75 75 PHE HE1 H 1 7.141 0.004 . 1 . . . . 75 PHE QE . 6927 1 857 . 1 1 75 75 PHE HE2 H 1 7.141 0.004 . 1 . . . . 75 PHE QE . 6927 1 858 . 1 1 75 75 PHE C C 13 178.100 0.25 . 1 . . . . 75 PHE C . 6927 1 859 . 1 1 75 75 PHE CA C 13 61.447 0.25 . 1 . . . . 75 PHE CA . 6927 1 860 . 1 1 75 75 PHE CB C 13 39.343 0.25 . 1 . . . . 75 PHE CB . 6927 1 861 . 1 1 75 75 PHE N N 15 124.986 0.06 . 1 . . . . 75 PHE N . 6927 1 862 . 1 1 76 76 ALA H H 1 8.301 0.015 . 1 . . . . 76 ALA H . 6927 1 863 . 1 1 76 76 ALA HA H 1 3.590 0.001 . 1 . . . . 76 ALA HA . 6927 1 864 . 1 1 76 76 ALA HB1 H 1 1.315 0.004 . 1 . . . . 76 ALA QB . 6927 1 865 . 1 1 76 76 ALA HB2 H 1 1.315 0.004 . 1 . . . . 76 ALA QB . 6927 1 866 . 1 1 76 76 ALA HB3 H 1 1.315 0.004 . 1 . . . . 76 ALA QB . 6927 1 867 . 1 1 76 76 ALA C C 13 176.191 0.25 . 1 . . . . 76 ALA C . 6927 1 868 . 1 1 76 76 ALA CA C 13 55.022 0.25 . 1 . . . . 76 ALA CA . 6927 1 869 . 1 1 76 76 ALA CB C 13 18.782 0.25 . 1 . . . . 76 ALA CB . 6927 1 870 . 1 1 76 76 ALA N N 15 121.670 0.06 . 1 . . . . 76 ALA N . 6927 1 871 . 1 1 77 77 ALA H H 1 8.697 0.015 . 1 . . . . 77 ALA H . 6927 1 872 . 1 1 77 77 ALA HA H 1 3.843 0.015 . 1 . . . . 77 ALA HA . 6927 1 873 . 1 1 77 77 ALA HB1 H 1 1.382 0.003 . 1 . . . . 77 ALA QB . 6927 1 874 . 1 1 77 77 ALA HB2 H 1 1.382 0.003 . 1 . . . . 77 ALA QB . 6927 1 875 . 1 1 77 77 ALA HB3 H 1 1.382 0.003 . 1 . . . . 77 ALA QB . 6927 1 876 . 1 1 77 77 ALA C C 13 180.790 0.25 . 1 . . . . 77 ALA C . 6927 1 877 . 1 1 77 77 ALA CA C 13 55.022 0.25 . 1 . . . . 77 ALA CA . 6927 1 878 . 1 1 77 77 ALA CB C 13 17.239 0.25 . 1 . . . . 77 ALA CB . 6927 1 879 . 1 1 77 77 ALA N N 15 118.681 0.06 . 1 . . . . 77 ALA N . 6927 1 880 . 1 1 78 78 SER H H 1 7.568 0.015 . 1 . . . . 78 SER H . 6927 1 881 . 1 1 78 78 SER HA H 1 3.767 0.015 . 1 . . . . 78 SER HA . 6927 1 882 . 1 1 78 78 SER HB2 H 1 3.940 0.015 . 1 . . . . 78 SER QB . 6927 1 883 . 1 1 78 78 SER HB3 H 1 3.940 0.015 . 1 . . . . 78 SER QB . 6927 1 884 . 1 1 78 78 SER C C 13 175.906 0.25 . 1 . . . . 78 SER C . 6927 1 885 . 1 1 78 78 SER CA C 13 61.447 0.25 . 1 . . . . 78 SER CA . 6927 1 886 . 1 1 78 78 SER CB C 13 62.475 0.25 . 1 . . . . 78 SER CB . 6927 1 887 . 1 1 78 78 SER N N 15 115.622 0.06 . 1 . . . . 78 SER N . 6927 1 888 . 1 1 79 79 VAL H H 1 7.569 0.015 . 1 . . . . 79 VAL H . 6927 1 889 . 1 1 79 79 VAL HA H 1 3.319 0.003 . 1 . . . . 79 VAL HA . 6927 1 890 . 1 1 79 79 VAL HB H 1 1.836 0.001 . 1 . . . . 79 VAL HB . 6927 1 891 . 1 1 79 79 VAL HG11 H 1 0.303 0.015 . 2 . . . . 79 VAL QG1 . 6927 1 892 . 1 1 79 79 VAL HG12 H 1 0.303 0.015 . 2 . . . . 79 VAL QG1 . 6927 1 893 . 1 1 79 79 VAL HG13 H 1 0.303 0.015 . 2 . . . . 79 VAL QG1 . 6927 1 894 . 1 1 79 79 VAL HG21 H 1 0.587 0.015 . 2 . . . . 79 VAL QG2 . 6927 1 895 . 1 1 79 79 VAL HG22 H 1 0.587 0.015 . 2 . . . . 79 VAL QG2 . 6927 1 896 . 1 1 79 79 VAL HG23 H 1 0.587 0.015 . 2 . . . . 79 VAL QG2 . 6927 1 897 . 1 1 79 79 VAL C C 13 179.640 0.25 . 1 . . . . 79 VAL C . 6927 1 898 . 1 1 79 79 VAL CA C 13 66.074 0.25 . 1 . . . . 79 VAL CA . 6927 1 899 . 1 1 79 79 VAL CB C 13 31.376 0.25 . 1 . . . . 79 VAL CB . 6927 1 900 . 1 1 79 79 VAL CG1 C 13 23.151 0.25 . 1 . . . . 79 VAL CG1 . 6927 1 901 . 1 1 79 79 VAL CG2 C 13 20.838 0.25 . 1 . . . . 79 VAL CG2 . 6927 1 902 . 1 1 79 79 VAL N N 15 123.083 0.06 . 1 . . . . 79 VAL N . 6927 1 903 . 1 1 80 80 LEU H H 1 8.019 0.015 . 1 . . . . 80 LEU H . 6927 1 904 . 1 1 80 80 LEU HA H 1 3.741 0.001 . 1 . . . . 80 LEU HA . 6927 1 905 . 1 1 80 80 LEU HB2 H 1 1.710 0.001 . 1 . . . . 80 LEU HB2 . 6927 1 906 . 1 1 80 80 LEU HB3 H 1 1.367 0.015 . 1 . . . . 80 LEU HB3 . 6927 1 907 . 1 1 80 80 LEU HG H 1 1.591 0.002 . 1 . . . . 80 LEU HG . 6927 1 908 . 1 1 80 80 LEU HD11 H 1 0.684 0.001 . 2 . . . . 80 LEU QD1 . 6927 1 909 . 1 1 80 80 LEU HD12 H 1 0.684 0.001 . 2 . . . . 80 LEU QD1 . 6927 1 910 . 1 1 80 80 LEU HD13 H 1 0.684 0.001 . 2 . . . . 80 LEU QD1 . 6927 1 911 . 1 1 80 80 LEU HD21 H 1 0.674 0.015 . 2 . . . . 80 LEU QD2 . 6927 1 912 . 1 1 80 80 LEU HD22 H 1 0.674 0.015 . 2 . . . . 80 LEU QD2 . 6927 1 913 . 1 1 80 80 LEU HD23 H 1 0.674 0.015 . 2 . . . . 80 LEU QD2 . 6927 1 914 . 1 1 80 80 LEU C C 13 180.126 0.25 . 1 . . . . 80 LEU C . 6927 1 915 . 1 1 80 80 LEU CA C 13 58.106 0.25 . 1 . . . . 80 LEU CA . 6927 1 916 . 1 1 80 80 LEU CB C 13 40.885 0.25 . 1 . . . . 80 LEU CB . 6927 1 917 . 1 1 80 80 LEU CG C 13 27.777 0.25 . 1 . . . . 80 LEU CG . 6927 1 918 . 1 1 80 80 LEU CD1 C 13 23.665 0.25 . 1 . . . . 80 LEU CD1 . 6927 1 919 . 1 1 80 80 LEU CD2 C 13 25.207 0.25 . 1 . . . . 80 LEU CD2 . 6927 1 920 . 1 1 80 80 LEU N N 15 118.096 0.06 . 1 . . . . 80 LEU N . 6927 1 921 . 1 1 81 81 ARG HA H 1 3.977 0.001 . 1 . . . . 81 ARG HA . 6927 1 922 . 1 1 81 81 ARG HB2 H 1 1.847 0.001 . 1 . . . . 81 ARG HB2 . 6927 1 923 . 1 1 81 81 ARG HB3 H 1 1.755 0.002 . 1 . . . . 81 ARG HB3 . 6927 1 924 . 1 1 81 81 ARG HG2 H 1 1.602 0.001 . 1 . . . . 81 ARG HG2 . 6927 1 925 . 1 1 81 81 ARG HG3 H 1 1.514 0.001 . 1 . . . . 81 ARG HG3 . 6927 1 926 . 1 1 81 81 ARG HD2 H 1 3.115 0.015 . 1 . . . . 81 ARG HD2 . 6927 1 927 . 1 1 81 81 ARG HD3 H 1 3.088 0.001 . 1 . . . . 81 ARG HD3 . 6927 1 928 . 1 1 81 81 ARG CA C 13 58.877 0.25 . 1 . . . . 81 ARG CA . 6927 1 929 . 1 1 81 81 ARG CB C 13 30.091 0.25 . 1 . . . . 81 ARG CB . 6927 1 930 . 1 1 81 81 ARG CG C 13 27.520 0.25 . 1 . . . . 81 ARG CG . 6927 1 931 . 1 1 81 81 ARG CD C 13 43.456 0.25 . 1 . . . . 81 ARG CD . 6927 1 932 . 1 1 82 82 ASN H H 1 7.259 0.015 . 1 . . . . 82 ASN H . 6927 1 933 . 1 1 82 82 ASN HA H 1 4.642 0.015 . 1 . . . . 82 ASN HA . 6927 1 934 . 1 1 82 82 ASN HB2 H 1 2.841 0.015 . 1 . . . . 82 ASN HB2 . 6927 1 935 . 1 1 82 82 ASN HB3 H 1 2.529 0.015 . 1 . . . . 82 ASN HB3 . 6927 1 936 . 1 1 82 82 ASN HD21 H 1 7.420 0.015 . 1 . . . . 82 ASN HD21 . 6927 1 937 . 1 1 82 82 ASN HD22 H 1 6.726 0.002 . 1 . . . . 82 ASN HD22 . 6927 1 938 . 1 1 82 82 ASN CA C 13 53.480 0.25 . 1 . . . . 82 ASN CA . 6927 1 939 . 1 1 82 82 ASN CB C 13 39.086 0.25 . 1 . . . . 82 ASN CB . 6927 1 940 . 1 1 82 82 ASN N N 15 116.285 0.06 . 1 . . . . 82 ASN N . 6927 1 941 . 1 1 82 82 ASN ND2 N 15 113.203 0.06 . 1 . . . . 82 ASN ND2 . 6927 1 942 . 1 1 83 83 THR H H 1 6.955 0.015 . 1 . . . . 83 THR H . 6927 1 943 . 1 1 83 83 THR HA H 1 4.068 0.007 . 1 . . . . 83 THR HA . 6927 1 944 . 1 1 83 83 THR HB H 1 4.200 0.007 . 1 . . . . 83 THR HB . 6927 1 945 . 1 1 83 83 THR HG21 H 1 1.216 0.005 . 1 . . . . 83 THR QG2 . 6927 1 946 . 1 1 83 83 THR HG22 H 1 1.216 0.005 . 1 . . . . 83 THR QG2 . 6927 1 947 . 1 1 83 83 THR HG23 H 1 1.216 0.005 . 1 . . . . 83 THR QG2 . 6927 1 948 . 1 1 83 83 THR C C 13 174.968 0.25 . 1 . . . . 83 THR C . 6927 1 949 . 1 1 83 83 THR CA C 13 61.447 0.25 . 1 . . . . 83 THR CA . 6927 1 950 . 1 1 83 83 THR CB C 13 71.985 0.25 . 1 . . . . 83 THR CB . 6927 1 951 . 1 1 83 83 THR CG2 C 13 22.380 0.25 . 1 . . . . 83 THR CG2 . 6927 1 952 . 1 1 83 83 THR N N 15 110.205 0.06 . 1 . . . . 83 THR N . 6927 1 953 . 1 1 84 84 LYS H H 1 8.772 0.015 . 1 . . . . 84 LYS H . 6927 1 954 . 1 1 84 84 LYS HA H 1 4.359 0.015 . 1 . . . . 84 LYS HA . 6927 1 955 . 1 1 84 84 LYS HB2 H 1 1.815 0.008 . 1 . . . . 84 LYS HB2 . 6927 1 956 . 1 1 84 84 LYS HB3 H 1 1.637 0.001 . 1 . . . . 84 LYS HB3 . 6927 1 957 . 1 1 84 84 LYS HG2 H 1 1.337 0.001 . 1 . . . . 84 LYS HG2 . 6927 1 958 . 1 1 84 84 LYS HG3 H 1 1.273 0.002 . 1 . . . . 84 LYS HG3 . 6927 1 959 . 1 1 84 84 LYS HD2 H 1 1.517 0.006 . 1 . . . . 84 LYS QD . 6927 1 960 . 1 1 84 84 LYS HD3 H 1 1.517 0.006 . 1 . . . . 84 LYS QD . 6927 1 961 . 1 1 84 84 LYS HE2 H 1 2.859 0.003 . 1 . . . . 84 LYS QE . 6927 1 962 . 1 1 84 84 LYS HE3 H 1 2.859 0.003 . 1 . . . . 84 LYS QE . 6927 1 963 . 1 1 84 84 LYS C C 13 175.316 0.25 . 1 . . . . 84 LYS C . 6927 1 964 . 1 1 84 84 LYS CA C 13 55.279 0.25 . 1 . . . . 84 LYS CA . 6927 1 965 . 1 1 84 84 LYS CB C 13 32.918 0.25 . 1 . . . . 84 LYS CB . 6927 1 966 . 1 1 84 84 LYS CG C 13 24.436 0.25 . 1 . . . . 84 LYS CG . 6927 1 967 . 1 1 84 84 LYS CD C 13 28.805 0.25 . 1 . . . . 84 LYS CD . 6927 1 968 . 1 1 84 84 LYS CE C 13 42.685 0.25 . 1 . . . . 84 LYS CE . 6927 1 969 . 1 1 84 84 LYS N N 15 121.713 0.06 . 1 . . . . 84 LYS N . 6927 1 970 . 1 1 85 85 GLY H H 1 8.234 0.015 . 1 . . . . 85 GLY H . 6927 1 971 . 1 1 85 85 GLY HA2 H 1 3.667 0.004 . 1 . . . . 85 GLY HA2 . 6927 1 972 . 1 1 85 85 GLY HA3 H 1 3.583 0.005 . 1 . . . . 85 GLY HA3 . 6927 1 973 . 1 1 85 85 GLY C C 13 172.964 0.25 . 1 . . . . 85 GLY C . 6927 1 974 . 1 1 85 85 GLY CA C 13 47.054 0.25 . 1 . . . . 85 GLY CA . 6927 1 975 . 1 1 85 85 GLY N N 15 108.140 0.06 . 1 . . . . 85 GLY N . 6927 1 976 . 1 1 86 86 ARG H H 1 7.591 0.015 . 1 . . . . 86 ARG H . 6927 1 977 . 1 1 86 86 ARG HA H 1 4.665 0.001 . 1 . . . . 86 ARG HA . 6927 1 978 . 1 1 86 86 ARG HB2 H 1 1.557 0.004 . 1 . . . . 86 ARG QB . 6927 1 979 . 1 1 86 86 ARG HB3 H 1 1.557 0.004 . 1 . . . . 86 ARG QB . 6927 1 980 . 1 1 86 86 ARG HG2 H 1 1.304 0.002 . 1 . . . . 86 ARG HG2 . 6927 1 981 . 1 1 86 86 ARG HG3 H 1 1.204 0.002 . 1 . . . . 86 ARG HG3 . 6927 1 982 . 1 1 86 86 ARG HD2 H 1 3.012 0.001 . 1 . . . . 86 ARG QD . 6927 1 983 . 1 1 86 86 ARG HD3 H 1 3.012 0.001 . 1 . . . . 86 ARG QD . 6927 1 984 . 1 1 86 86 ARG C C 13 175.611 0.25 . 1 . . . . 86 ARG C . 6927 1 985 . 1 1 86 86 ARG CA C 13 55.279 0.25 . 1 . . . . 86 ARG CA . 6927 1 986 . 1 1 86 86 ARG CB C 13 30.862 0.25 . 1 . . . . 86 ARG CB . 6927 1 987 . 1 1 86 86 ARG CG C 13 27.777 0.25 . 1 . . . . 86 ARG CG . 6927 1 988 . 1 1 86 86 ARG CD C 13 43.456 0.25 . 1 . . . . 86 ARG CD . 6927 1 989 . 1 1 86 86 ARG N N 15 122.137 0.06 . 1 . . . . 86 ARG N . 6927 1 990 . 1 1 87 87 VAL H H 1 9.102 0.015 . 1 . . . . 87 VAL H . 6927 1 991 . 1 1 87 87 VAL HA H 1 4.235 0.015 . 1 . . . . 87 VAL HA . 6927 1 992 . 1 1 87 87 VAL HB H 1 1.583 0.015 . 1 . . . . 87 VAL HB . 6927 1 993 . 1 1 87 87 VAL HG11 H 1 0.722 0.015 . 2 . . . . 87 VAL QG1 . 6927 1 994 . 1 1 87 87 VAL HG12 H 1 0.722 0.015 . 2 . . . . 87 VAL QG1 . 6927 1 995 . 1 1 87 87 VAL HG13 H 1 0.722 0.015 . 2 . . . . 87 VAL QG1 . 6927 1 996 . 1 1 87 87 VAL HG21 H 1 0.169 0.001 . 2 . . . . 87 VAL QG2 . 6927 1 997 . 1 1 87 87 VAL HG22 H 1 0.169 0.001 . 2 . . . . 87 VAL QG2 . 6927 1 998 . 1 1 87 87 VAL HG23 H 1 0.169 0.001 . 2 . . . . 87 VAL QG2 . 6927 1 999 . 1 1 87 87 VAL C C 13 173.945 0.25 . 1 . . . . 87 VAL C . 6927 1 1000 . 1 1 87 87 VAL CA C 13 61.190 0.25 . 1 . . . . 87 VAL CA . 6927 1 1001 . 1 1 87 87 VAL CB C 13 34.460 0.25 . 1 . . . . 87 VAL CB . 6927 1 1002 . 1 1 87 87 VAL CG1 C 13 22.380 0.25 . 1 . . . . 87 VAL CG1 . 6927 1 1003 . 1 1 87 87 VAL CG2 C 13 22.637 0.25 . 1 . . . . 87 VAL CG2 . 6927 1 1004 . 1 1 87 87 VAL N N 15 128.353 0.06 . 1 . . . . 87 VAL N . 6927 1 1005 . 1 1 88 88 ARG HA H 1 4.655 0.001 . 1 . . . . 88 ARG HA . 6927 1 1006 . 1 1 88 88 ARG HB2 H 1 1.554 0.005 . 1 . . . . 88 ARG QB . 6927 1 1007 . 1 1 88 88 ARG HB3 H 1 1.554 0.005 . 1 . . . . 88 ARG QB . 6927 1 1008 . 1 1 88 88 ARG HG2 H 1 1.419 0.015 . 1 . . . . 88 ARG QG . 6927 1 1009 . 1 1 88 88 ARG HG3 H 1 1.419 0.015 . 1 . . . . 88 ARG QG . 6927 1 1010 . 1 1 88 88 ARG HD2 H 1 3.053 0.003 . 1 . . . . 88 ARG QD . 6927 1 1011 . 1 1 88 88 ARG HD3 H 1 3.053 0.003 . 1 . . . . 88 ARG QD . 6927 1 1012 . 1 1 88 88 ARG C C 13 175.179 0.25 . 1 . . . . 88 ARG C . 6927 1 1013 . 1 1 88 88 ARG CA C 13 55.279 0.25 . 1 . . . . 88 ARG CA . 6927 1 1014 . 1 1 88 88 ARG CB C 13 31.376 0.25 . 1 . . . . 88 ARG CB . 6927 1 1015 . 1 1 88 88 ARG CG C 13 28.034 0.25 . 1 . . . . 88 ARG CG . 6927 1 1016 . 1 1 88 88 ARG CD C 13 43.456 0.25 . 1 . . . . 88 ARG CD . 6927 1 1017 . 1 1 88 88 ARG N N 15 126.465 0.06 . 1 . . . . 88 ARG N . 6927 1 1018 . 1 1 89 89 PHE H H 1 9.445 0.015 . 1 . . . . 89 PHE H . 6927 1 1019 . 1 1 89 89 PHE HA H 1 5.269 0.003 . 1 . . . . 89 PHE HA . 6927 1 1020 . 1 1 89 89 PHE HB2 H 1 2.840 0.008 . 1 . . . . 89 PHE HB2 . 6927 1 1021 . 1 1 89 89 PHE HB3 H 1 2.716 0.002 . 1 . . . . 89 PHE HB3 . 6927 1 1022 . 1 1 89 89 PHE HD1 H 1 7.021 0.001 . 1 . . . . 89 PHE QD . 6927 1 1023 . 1 1 89 89 PHE HD2 H 1 7.021 0.001 . 1 . . . . 89 PHE QD . 6927 1 1024 . 1 1 89 89 PHE HE1 H 1 6.793 0.001 . 1 . . . . 89 PHE QE . 6927 1 1025 . 1 1 89 89 PHE HE2 H 1 6.793 0.001 . 1 . . . . 89 PHE QE . 6927 1 1026 . 1 1 89 89 PHE C C 13 177.562 0.25 . 1 . . . . 89 PHE C . 6927 1 1027 . 1 1 89 89 PHE CA C 13 56.564 0.25 . 1 . . . . 89 PHE CA . 6927 1 1028 . 1 1 89 89 PHE CB C 13 43.199 0.25 . 1 . . . . 89 PHE CB . 6927 1 1029 . 1 1 89 89 PHE N N 15 122.951 0.06 . 1 . . . . 89 PHE N . 6927 1 1030 . 1 1 90 90 MET H H 1 8.362 0.015 . 1 . . . . 90 MET H . 6927 1 1031 . 1 1 90 90 MET HA H 1 4.906 0.001 . 1 . . . . 90 MET HA . 6927 1 1032 . 1 1 90 90 MET HB2 H 1 2.314 0.001 . 1 . . . . 90 MET HB2 . 6927 1 1033 . 1 1 90 90 MET HB3 H 1 2.074 0.015 . 1 . . . . 90 MET HB3 . 6927 1 1034 . 1 1 90 90 MET HG2 H 1 1.633 0.015 . 1 . . . . 90 MET QG . 6927 1 1035 . 1 1 90 90 MET HG3 H 1 1.633 0.015 . 1 . . . . 90 MET QG . 6927 1 1036 . 1 1 90 90 MET C C 13 173.776 0.25 . 1 . . . . 90 MET C . 6927 1 1037 . 1 1 90 90 MET CA C 13 55.279 0.25 . 1 . . . . 90 MET CA . 6927 1 1038 . 1 1 90 90 MET CB C 13 31.119 0.25 . 1 . . . . 90 MET CB . 6927 1 1039 . 1 1 90 90 MET CG C 13 32.918 0.25 . 1 . . . . 90 MET CG . 6927 1 1040 . 1 1 90 90 MET N N 15 120.015 0.06 . 1 . . . . 90 MET N . 6927 1 1041 . 1 1 91 91 ILE H H 1 8.666 0.015 . 1 . . . . 91 ILE H . 6927 1 1042 . 1 1 91 91 ILE HA H 1 4.659 0.015 . 1 . . . . 91 ILE HA . 6927 1 1043 . 1 1 91 91 ILE HB H 1 0.791 0.015 . 1 . . . . 91 ILE HB . 6927 1 1044 . 1 1 91 91 ILE HG12 H 1 0.788 0.001 . 1 . . . . 91 ILE HG12 . 6927 1 1045 . 1 1 91 91 ILE HG13 H 1 1.039 0.002 . 1 . . . . 91 ILE HG13 . 6927 1 1046 . 1 1 91 91 ILE HG21 H 1 0.513 0.015 . 1 . . . . 91 ILE QG2 . 6927 1 1047 . 1 1 91 91 ILE HG22 H 1 0.513 0.015 . 1 . . . . 91 ILE QG2 . 6927 1 1048 . 1 1 91 91 ILE HG23 H 1 0.513 0.015 . 1 . . . . 91 ILE QG2 . 6927 1 1049 . 1 1 91 91 ILE HD11 H 1 0.317 0.001 . 1 . . . . 91 ILE QD1 . 6927 1 1050 . 1 1 91 91 ILE HD12 H 1 0.317 0.001 . 1 . . . . 91 ILE QD1 . 6927 1 1051 . 1 1 91 91 ILE HD13 H 1 0.317 0.001 . 1 . . . . 91 ILE QD1 . 6927 1 1052 . 1 1 91 91 ILE C C 13 173.934 0.25 . 1 . . . . 91 ILE C . 6927 1 1053 . 1 1 91 91 ILE CA C 13 56.821 0.25 . 1 . . . . 91 ILE CA . 6927 1 1054 . 1 1 91 91 ILE CB C 13 37.287 0.25 . 1 . . . . 91 ILE CB . 6927 1 1055 . 1 1 91 91 ILE CG1 C 13 27.520 0.25 . 1 . . . . 91 ILE CG1 . 6927 1 1056 . 1 1 91 91 ILE CG2 C 13 18.782 0.25 . 1 . . . . 91 ILE CG2 . 6927 1 1057 . 1 1 91 91 ILE CD1 C 13 11.328 0.25 . 1 . . . . 91 ILE CD1 . 6927 1 1058 . 1 1 91 91 ILE N N 15 128.827 0.06 . 1 . . . . 91 ILE N . 6927 1 1059 . 1 1 92 92 GLY H H 1 9.267 0.015 . 1 . . . . 92 GLY H . 6927 1 1060 . 1 1 92 92 GLY HA2 H 1 5.321 0.012 . 1 . . . . 92 GLY HA2 . 6927 1 1061 . 1 1 92 92 GLY HA3 H 1 3.073 0.006 . 1 . . . . 92 GLY HA3 . 6927 1 1062 . 1 1 92 92 GLY C C 13 172.088 0.25 . 1 . . . . 92 GLY C . 6927 1 1063 . 1 1 92 92 GLY CA C 13 43.970 0.25 . 1 . . . . 92 GLY CA . 6927 1 1064 . 1 1 92 92 GLY N N 15 110.596 0.06 . 1 . . . . 92 GLY N . 6927 1 1065 . 1 1 93 93 ARG H H 1 8.839 0.015 . 1 . . . . 93 ARG H . 6927 1 1066 . 1 1 93 93 ARG HA H 1 4.752 0.001 . 1 . . . . 93 ARG HA . 6927 1 1067 . 1 1 93 93 ARG HB2 H 1 1.762 0.003 . 1 . . . . 93 ARG HB2 . 6927 1 1068 . 1 1 93 93 ARG HB3 H 1 1.563 0.004 . 1 . . . . 93 ARG HB3 . 6927 1 1069 . 1 1 93 93 ARG HG2 H 1 1.549 0.001 . 1 . . . . 93 ARG QG . 6927 1 1070 . 1 1 93 93 ARG HG3 H 1 1.549 0.001 . 1 . . . . 93 ARG QG . 6927 1 1071 . 1 1 93 93 ARG HD2 H 1 3.016 0.003 . 1 . . . . 93 ARG QD . 6927 1 1072 . 1 1 93 93 ARG HD3 H 1 3.016 0.003 . 1 . . . . 93 ARG QD . 6927 1 1073 . 1 1 93 93 ARG C C 13 175.305 0.25 . 1 . . . . 93 ARG C . 6927 1 1074 . 1 1 93 93 ARG CA C 13 55.022 0.25 . 1 . . . . 93 ARG CA . 6927 1 1075 . 1 1 93 93 ARG CB C 13 31.890 0.25 . 1 . . . . 93 ARG CB . 6927 1 1076 . 1 1 93 93 ARG CG C 13 26.235 0.25 . 1 . . . . 93 ARG CG . 6927 1 1077 . 1 1 93 93 ARG CD C 13 43.456 0.25 . 1 . . . . 93 ARG CD . 6927 1 1078 . 1 1 93 93 ARG N N 15 125.052 0.06 . 1 . . . . 93 ARG N . 6927 1 1079 . 1 1 94 94 GLU H H 1 8.776 0.015 . 1 . . . . 94 GLU H . 6927 1 1080 . 1 1 94 94 GLU HA H 1 4.360 0.001 . 1 . . . . 94 GLU HA . 6927 1 1081 . 1 1 94 94 GLU HB2 H 1 1.816 0.001 . 1 . . . . 94 GLU QB . 6927 1 1082 . 1 1 94 94 GLU HB3 H 1 1.816 0.001 . 1 . . . . 94 GLU QB . 6927 1 1083 . 1 1 94 94 GLU HG2 H 1 2.113 0.015 . 1 . . . . 94 GLU HG2 . 6927 1 1084 . 1 1 94 94 GLU HG3 H 1 2.008 0.001 . 1 . . . . 94 GLU HG3 . 6927 1 1085 . 1 1 94 94 GLU C C 13 176.096 0.25 . 1 . . . . 94 GLU C . 6927 1 1086 . 1 1 94 94 GLU CA C 13 56.821 0.25 . 1 . . . . 94 GLU CA . 6927 1 1087 . 1 1 94 94 GLU CB C 13 30.605 0.25 . 1 . . . . 94 GLU CB . 6927 1 1088 . 1 1 94 94 GLU CG C 13 36.259 0.25 . 1 . . . . 94 GLU CG . 6927 1 1089 . 1 1 94 94 GLU N N 15 128.936 0.06 . 1 . . . . 94 GLU N . 6927 1 1090 . 1 1 95 95 ARG H H 1 8.669 0.015 . 1 . . . . 95 ARG H . 6927 1 1091 . 1 1 95 95 ARG HA H 1 4.573 0.007 . 1 . . . . 95 ARG HA . 6927 1 1092 . 1 1 95 95 ARG HB2 H 1 1.727 0.002 . 1 . . . . 95 ARG HB2 . 6927 1 1093 . 1 1 95 95 ARG HB3 H 1 1.421 0.002 . 1 . . . . 95 ARG HB3 . 6927 1 1094 . 1 1 95 95 ARG HG2 H 1 1.563 0.004 . 1 . . . . 95 ARG QG . 6927 1 1095 . 1 1 95 95 ARG HG3 H 1 1.563 0.004 . 1 . . . . 95 ARG QG . 6927 1 1096 . 1 1 95 95 ARG HD2 H 1 3.050 0.004 . 1 . . . . 95 ARG QD . 6927 1 1097 . 1 1 95 95 ARG HD3 H 1 3.050 0.004 . 1 . . . . 95 ARG QD . 6927 1 1098 . 1 1 95 95 ARG C C 13 174.071 0.25 . 1 . . . . 95 ARG C . 6927 1 1099 . 1 1 95 95 ARG CA C 13 52.966 0.25 . 1 . . . . 95 ARG CA . 6927 1 1100 . 1 1 95 95 ARG CB C 13 30.605 0.25 . 1 . . . . 95 ARG CB . 6927 1 1101 . 1 1 95 95 ARG CG C 13 27.263 0.25 . 1 . . . . 95 ARG CG . 6927 1 1102 . 1 1 95 95 ARG CD C 13 43.199 0.25 . 1 . . . . 95 ARG CD . 6927 1 1103 . 1 1 95 95 ARG N N 15 126.208 0.06 . 1 . . . . 95 ARG N . 6927 1 1104 . 1 1 96 96 PRO HA H 1 4.333 0.007 . 1 . . . . 96 PRO HA . 6927 1 1105 . 1 1 96 96 PRO HB2 H 1 2.197 0.015 . 1 . . . . 96 PRO HB2 . 6927 1 1106 . 1 1 96 96 PRO HB3 H 1 1.807 0.001 . 1 . . . . 96 PRO HB3 . 6927 1 1107 . 1 1 96 96 PRO HG2 H 1 1.908 0.001 . 1 . . . . 96 PRO QG . 6927 1 1108 . 1 1 96 96 PRO HG3 H 1 1.908 0.001 . 1 . . . . 96 PRO QG . 6927 1 1109 . 1 1 96 96 PRO HD2 H 1 3.740 0.007 . 1 . . . . 96 PRO HD2 . 6927 1 1110 . 1 1 96 96 PRO HD3 H 1 3.517 0.007 . 1 . . . . 96 PRO HD3 . 6927 1 1111 . 1 1 96 96 PRO CA C 13 63.246 0.25 . 1 . . . . 96 PRO CA . 6927 1 1112 . 1 1 96 96 PRO CB C 13 31.890 0.25 . 1 . . . . 96 PRO CB . 6927 1 1113 . 1 1 96 96 PRO CG C 13 27.520 0.25 . 1 . . . . 96 PRO CG . 6927 1 1114 . 1 1 96 96 PRO CD C 13 50.652 0.25 . 1 . . . . 96 PRO CD . 6927 1 1115 . 1 1 97 97 GLY H H 1 8.422 0.015 . 1 . . . . 97 GLY H . 6927 1 1116 . 1 1 97 97 GLY HA2 H 1 3.861 0.008 . 1 . . . . 97 GLY QA . 6927 1 1117 . 1 1 97 97 GLY HA3 H 1 3.861 0.008 . 1 . . . . 97 GLY QA . 6927 1 1118 . 1 1 97 97 GLY C C 13 174.198 0.25 . 1 . . . . 97 GLY C . 6927 1 1119 . 1 1 97 97 GLY CA C 13 44.998 0.25 . 1 . . . . 97 GLY CA . 6927 1 1120 . 1 1 97 97 GLY N N 15 109.092 0.06 . 1 . . . . 97 GLY N . 6927 1 1121 . 1 1 98 98 GLU H H 1 8.238 0.015 . 1 . . . . 98 GLU H . 6927 1 1122 . 1 1 98 98 GLU HA H 1 4.189 0.001 . 1 . . . . 98 GLU HA . 6927 1 1123 . 1 1 98 98 GLU HB2 H 1 1.952 0.015 . 1 . . . . 98 GLU HB2 . 6927 1 1124 . 1 1 98 98 GLU HB3 H 1 1.858 0.002 . 1 . . . . 98 GLU HB3 . 6927 1 1125 . 1 1 98 98 GLU HG2 H 1 2.172 0.001 . 1 . . . . 98 GLU HG2 . 6927 1 1126 . 1 1 98 98 GLU HG3 H 1 2.082 0.001 . 1 . . . . 98 GLU HG3 . 6927 1 1127 . 1 1 98 98 GLU C C 13 176.624 0.25 . 1 . . . . 98 GLU C . 6927 1 1128 . 1 1 98 98 GLU CA C 13 56.307 0.25 . 1 . . . . 98 GLU CA . 6927 1 1129 . 1 1 98 98 GLU CB C 13 30.348 0.25 . 1 . . . . 98 GLU CB . 6927 1 1130 . 1 1 98 98 GLU CG C 13 35.745 0.25 . 1 . . . . 98 GLU CG . 6927 1 1131 . 1 1 98 98 GLU N N 15 120.660 0.06 . 1 . . . . 98 GLU N . 6927 1 1132 . 1 1 99 99 GLN H H 1 8.442 0.015 . 1 . . . . 99 GLN H . 6927 1 1133 . 1 1 99 99 GLN HA H 1 4.189 0.007 . 1 . . . . 99 GLN HA . 6927 1 1134 . 1 1 99 99 GLN HB2 H 1 1.977 0.001 . 1 . . . . 99 GLN HB2 . 6927 1 1135 . 1 1 99 99 GLN HB3 H 1 1.823 0.001 . 1 . . . . 99 GLN HB3 . 6927 1 1136 . 1 1 99 99 GLN HG2 H 1 2.246 0.001 . 1 . . . . 99 GLN HG2 . 6927 1 1137 . 1 1 99 99 GLN HG3 H 1 2.168 0.015 . 1 . . . . 99 GLN HG3 . 6927 1 1138 . 1 1 99 99 GLN C C 13 175.917 0.25 . 1 . . . . 99 GLN C . 6927 1 1139 . 1 1 99 99 GLN CA C 13 56.050 0.25 . 1 . . . . 99 GLN CA . 6927 1 1140 . 1 1 99 99 GLN CB C 13 29.319 0.25 . 1 . . . . 99 GLN CB . 6927 1 1141 . 1 1 99 99 GLN CG C 13 33.689 0.25 . 1 . . . . 99 GLN CG . 6927 1 1142 . 1 1 99 99 GLN N N 15 121.343 0.06 . 1 . . . . 99 GLN N . 6927 1 1143 . 1 1 100 100 SER H H 1 8.340 0.015 . 1 . . . . 100 SER H . 6927 1 1144 . 1 1 100 100 SER HA H 1 4.275 0.015 . 1 . . . . 100 SER HA . 6927 1 1145 . 1 1 100 100 SER HB2 H 1 3.751 0.015 . 1 . . . . 100 SER HB2 . 6927 1 1146 . 1 1 100 100 SER HB3 H 1 3.686 0.001 . 1 . . . . 100 SER HB3 . 6927 1 1147 . 1 1 100 100 SER C C 13 174.693 0.25 . 1 . . . . 100 SER C . 6927 1 1148 . 1 1 100 100 SER CA C 13 58.620 0.25 . 1 . . . . 100 SER CA . 6927 1 1149 . 1 1 100 100 SER CB C 13 63.761 0.25 . 1 . . . . 100 SER CB . 6927 1 1150 . 1 1 100 100 SER N N 15 117.671 0.06 . 1 . . . . 100 SER N . 6927 1 1151 . 1 1 101 101 GLU H H 1 8.519 0.015 . 1 . . . . 101 GLU H . 6927 1 1152 . 1 1 101 101 GLU HA H 1 4.123 0.001 . 1 . . . . 101 GLU HA . 6927 1 1153 . 1 1 101 101 GLU HB2 H 1 1.916 0.001 . 1 . . . . 101 GLU HB2 . 6927 1 1154 . 1 1 101 101 GLU HB3 H 1 1.806 0.001 . 1 . . . . 101 GLU HB3 . 6927 1 1155 . 1 1 101 101 GLU HG2 H 1 2.138 0.015 . 1 . . . . 101 GLU HG2 . 6927 1 1156 . 1 1 101 101 GLU HG3 H 1 2.059 0.015 . 1 . . . . 101 GLU HG3 . 6927 1 1157 . 1 1 101 101 GLU C C 13 176.845 0.25 . 1 . . . . 101 GLU C . 6927 1 1158 . 1 1 101 101 GLU CA C 13 56.821 0.25 . 1 . . . . 101 GLU CA . 6927 1 1159 . 1 1 101 101 GLU CB C 13 30.091 0.25 . 1 . . . . 101 GLU CB . 6927 1 1160 . 1 1 101 101 GLU CG C 13 36.259 0.25 . 1 . . . . 101 GLU CG . 6927 1 1161 . 1 1 101 101 GLU N N 15 123.519 0.06 . 1 . . . . 101 GLU N . 6927 1 1162 . 1 1 102 102 VAL H H 1 8.033 0.015 . 1 . . . . 102 VAL H . 6927 1 1163 . 1 1 102 102 VAL HA H 1 3.844 0.005 . 1 . . . . 102 VAL HA . 6927 1 1164 . 1 1 102 102 VAL HB H 1 1.764 0.002 . 1 . . . . 102 VAL HB . 6927 1 1165 . 1 1 102 102 VAL HG11 H 1 0.933 0.002 . 2 . . . . 102 VAL QG1 . 6927 1 1166 . 1 1 102 102 VAL HG12 H 1 0.933 0.002 . 2 . . . . 102 VAL QG1 . 6927 1 1167 . 1 1 102 102 VAL HG13 H 1 0.933 0.002 . 2 . . . . 102 VAL QG1 . 6927 1 1168 . 1 1 102 102 VAL HG21 H 1 0.751 0.003 . 2 . . . . 102 VAL QG2 . 6927 1 1169 . 1 1 102 102 VAL HG22 H 1 0.751 0.003 . 2 . . . . 102 VAL QG2 . 6927 1 1170 . 1 1 102 102 VAL HG23 H 1 0.751 0.003 . 2 . . . . 102 VAL QG2 . 6927 1 1171 . 1 1 102 102 VAL C C 13 176.181 0.25 . 1 . . . . 102 VAL C . 6927 1 1172 . 1 1 102 102 VAL CA C 13 63.246 0.25 . 1 . . . . 102 VAL CA . 6927 1 1173 . 1 1 102 102 VAL CB C 13 31.633 0.25 . 1 . . . . 102 VAL CB . 6927 1 1174 . 1 1 102 102 VAL CG1 C 13 21.352 0.25 . 1 . . . . 102 VAL CG1 . 6927 1 1175 . 1 1 102 102 VAL CG2 C 13 20.581 0.25 . 1 . . . . 102 VAL CG2 . 6927 1 1176 . 1 1 102 102 VAL N N 15 121.068 0.06 . 1 . . . . 102 VAL N . 6927 1 1177 . 1 1 103 103 ALA H H 1 8.199 0.015 . 1 . . . . 103 ALA H . 6927 1 1178 . 1 1 103 103 ALA HA H 1 4.076 0.005 . 1 . . . . 103 ALA HA . 6927 1 1179 . 1 1 103 103 ALA HB1 H 1 1.240 0.015 . 1 . . . . 103 ALA QB . 6927 1 1180 . 1 1 103 103 ALA HB2 H 1 1.240 0.015 . 1 . . . . 103 ALA QB . 6927 1 1181 . 1 1 103 103 ALA HB3 H 1 1.240 0.015 . 1 . . . . 103 ALA QB . 6927 1 1182 . 1 1 103 103 ALA C C 13 178.058 0.25 . 1 . . . . 103 ALA C . 6927 1 1183 . 1 1 103 103 ALA CA C 13 53.223 0.25 . 1 . . . . 103 ALA CA . 6927 1 1184 . 1 1 103 103 ALA CB C 13 18.782 0.25 . 1 . . . . 103 ALA CB . 6927 1 1185 . 1 1 103 103 ALA N N 15 126.696 0.06 . 1 . . . . 103 ALA N . 6927 1 1186 . 1 1 104 104 GLN H H 1 8.099 0.015 . 1 . . . . 104 GLN H . 6927 1 1187 . 1 1 104 104 GLN HA H 1 4.201 0.003 . 1 . . . . 104 GLN HA . 6927 1 1188 . 1 1 104 104 GLN HB2 H 1 1.968 0.015 . 1 . . . . 104 GLN HB2 . 6927 1 1189 . 1 1 104 104 GLN HB3 H 1 1.852 0.015 . 1 . . . . 104 GLN HB3 . 6927 1 1190 . 1 1 104 104 GLN HG2 H 1 2.248 0.015 . 1 . . . . 104 GLN HG2 . 6927 1 1191 . 1 1 104 104 GLN HG3 H 1 2.173 0.015 . 1 . . . . 104 GLN HG3 . 6927 1 1192 . 1 1 104 104 GLN C C 13 176.181 0.25 . 1 . . . . 104 GLN C . 6927 1 1193 . 1 1 104 104 GLN CA C 13 56.050 0.25 . 1 . . . . 104 GLN CA . 6927 1 1194 . 1 1 104 104 GLN CB C 13 29.319 0.25 . 1 . . . . 104 GLN CB . 6927 1 1195 . 1 1 104 104 GLN CG C 13 33.689 0.25 . 1 . . . . 104 GLN CG . 6927 1 1196 . 1 1 104 104 GLN N N 15 119.139 0.06 . 1 . . . . 104 GLN N . 6927 1 1197 . 1 1 105 105 LEU H H 1 8.058 0.015 . 1 . . . . 105 LEU H . 6927 1 1198 . 1 1 105 105 LEU HA H 1 4.144 0.015 . 1 . . . . 105 LEU HA . 6927 1 1199 . 1 1 105 105 LEU HB2 H 1 1.523 0.001 . 1 . . . . 105 LEU HB2 . 6927 1 1200 . 1 1 105 105 LEU HB3 H 1 1.421 0.002 . 1 . . . . 105 LEU HB3 . 6927 1 1201 . 1 1 105 105 LEU HG H 1 1.475 0.001 . 1 . . . . 105 LEU HG . 6927 1 1202 . 1 1 105 105 LEU HD11 H 1 0.699 0.015 . 2 . . . . 105 LEU QD1 . 6927 1 1203 . 1 1 105 105 LEU HD12 H 1 0.699 0.015 . 2 . . . . 105 LEU QD1 . 6927 1 1204 . 1 1 105 105 LEU HD13 H 1 0.699 0.015 . 2 . . . . 105 LEU QD1 . 6927 1 1205 . 1 1 105 105 LEU HD21 H 1 0.756 0.002 . 2 . . . . 105 LEU QD2 . 6927 1 1206 . 1 1 105 105 LEU HD22 H 1 0.756 0.002 . 2 . . . . 105 LEU QD2 . 6927 1 1207 . 1 1 105 105 LEU HD23 H 1 0.756 0.002 . 2 . . . . 105 LEU QD2 . 6927 1 1208 . 1 1 105 105 LEU C C 13 177.584 0.25 . 1 . . . . 105 LEU C . 6927 1 1209 . 1 1 105 105 LEU CA C 13 55.793 0.25 . 1 . . . . 105 LEU CA . 6927 1 1210 . 1 1 105 105 LEU CB C 13 42.171 0.25 . 1 . . . . 105 LEU CB . 6927 1 1211 . 1 1 105 105 LEU CG C 13 27.006 0.25 . 1 . . . . 105 LEU CG . 6927 1 1212 . 1 1 105 105 LEU CD1 C 13 23.408 0.25 . 1 . . . . 105 LEU CD1 . 6927 1 1213 . 1 1 105 105 LEU CD2 C 13 24.436 0.25 . 1 . . . . 105 LEU CD2 . 6927 1 1214 . 1 1 105 105 LEU N N 15 123.256 0.06 . 1 . . . . 105 LEU N . 6927 1 1215 . 1 1 106 106 ILE H H 1 8.037 0.015 . 1 . . . . 106 ILE H . 6927 1 1216 . 1 1 106 106 ILE HA H 1 3.905 0.015 . 1 . . . . 106 ILE HA . 6927 1 1217 . 1 1 106 106 ILE HB H 1 1.700 0.001 . 1 . . . . 106 ILE HB . 6927 1 1218 . 1 1 106 106 ILE HG12 H 1 1.342 0.015 . 1 . . . . 106 ILE HG12 . 6927 1 1219 . 1 1 106 106 ILE HG13 H 1 0.995 0.001 . 1 . . . . 106 ILE HG13 . 6927 1 1220 . 1 1 106 106 ILE HG21 H 1 0.727 0.015 . 1 . . . . 106 ILE QG2 . 6927 1 1221 . 1 1 106 106 ILE HG22 H 1 0.727 0.015 . 1 . . . . 106 ILE QG2 . 6927 1 1222 . 1 1 106 106 ILE HG23 H 1 0.727 0.015 . 1 . . . . 106 ILE QG2 . 6927 1 1223 . 1 1 106 106 ILE HD11 H 1 0.676 0.015 . 1 . . . . 106 ILE QD1 . 6927 1 1224 . 1 1 106 106 ILE HD12 H 1 0.676 0.015 . 1 . . . . 106 ILE QD1 . 6927 1 1225 . 1 1 106 106 ILE HD13 H 1 0.676 0.015 . 1 . . . . 106 ILE QD1 . 6927 1 1226 . 1 1 106 106 ILE C C 13 176.465 0.25 . 1 . . . . 106 ILE C . 6927 1 1227 . 1 1 106 106 ILE CA C 13 61.447 0.25 . 1 . . . . 106 ILE CA . 6927 1 1228 . 1 1 106 106 ILE CB C 13 38.315 0.25 . 1 . . . . 106 ILE CB . 6927 1 1229 . 1 1 106 106 ILE CG1 C 13 27.520 0.25 . 1 . . . . 106 ILE CG1 . 6927 1 1230 . 1 1 106 106 ILE CG2 C 13 17.239 0.25 . 1 . . . . 106 ILE CG2 . 6927 1 1231 . 1 1 106 106 ILE CD1 C 13 12.613 0.25 . 1 . . . . 106 ILE CD1 . 6927 1 1232 . 1 1 106 106 ILE N N 15 121.948 0.06 . 1 . . . . 106 ILE N . 6927 1 1233 . 1 1 107 107 GLN H H 1 8.262 0.015 . 1 . . . . 107 GLN H . 6927 1 1234 . 1 1 107 107 GLN HA H 1 4.120 0.015 . 1 . . . . 107 GLN HA . 6927 1 1235 . 1 1 107 107 GLN HB2 H 1 1.936 0.015 . 1 . . . . 107 GLN HB2 . 6927 1 1236 . 1 1 107 107 GLN HB3 H 1 1.835 0.001 . 1 . . . . 107 GLN HB3 . 6927 1 1237 . 1 1 107 107 GLN HG2 H 1 2.243 0.015 . 1 . . . . 107 GLN HG2 . 6927 1 1238 . 1 1 107 107 GLN HG3 H 1 2.167 0.001 . 1 . . . . 107 GLN HG3 . 6927 1 1239 . 1 1 107 107 GLN C C 13 176.012 0.25 . 1 . . . . 107 GLN C . 6927 1 1240 . 1 1 107 107 GLN CA C 13 56.307 0.25 . 1 . . . . 107 GLN CA . 6927 1 1241 . 1 1 107 107 GLN CB C 13 28.805 0.25 . 1 . . . . 107 GLN CB . 6927 1 1242 . 1 1 107 107 GLN CG C 13 33.689 0.25 . 1 . . . . 107 GLN CG . 6927 1 1243 . 1 1 107 107 GLN N N 15 124.104 0.06 . 1 . . . . 107 GLN N . 6927 1 1244 . 1 1 108 108 GLN HA H 1 4.108 0.002 . 1 . . . . 108 GLN HA . 6927 1 1245 . 1 1 108 108 GLN HB2 H 1 1.934 0.015 . 1 . . . . 108 GLN HB2 . 6927 1 1246 . 1 1 108 108 GLN HB3 H 1 1.841 0.015 . 1 . . . . 108 GLN HB3 . 6927 1 1247 . 1 1 108 108 GLN HG2 H 1 2.258 0.015 . 1 . . . . 108 GLN HG2 . 6927 1 1248 . 1 1 108 108 GLN HG3 H 1 2.171 0.015 . 1 . . . . 108 GLN HG3 . 6927 1 1249 . 1 1 108 108 GLN CA C 13 56.050 0.25 . 1 . . . . 108 GLN CA . 6927 1 1250 . 1 1 108 108 GLN CB C 13 30.091 0.25 . 1 . . . . 108 GLN CB . 6927 1 1251 . 1 1 108 108 GLN CG C 13 33.689 0.25 . 1 . . . . 108 GLN CG . 6927 1 1252 . 1 1 109 109 THR H H 1 8.118 0.015 . 1 . . . . 109 THR H . 6927 1 1253 . 1 1 109 109 THR HA H 1 4.155 0.007 . 1 . . . . 109 THR HA . 6927 1 1254 . 1 1 109 109 THR HB H 1 4.059 0.015 . 1 . . . . 109 THR HB . 6927 1 1255 . 1 1 109 109 THR HG21 H 1 1.061 0.015 . 1 . . . . 109 THR QG2 . 6927 1 1256 . 1 1 109 109 THR HG22 H 1 1.061 0.015 . 1 . . . . 109 THR QG2 . 6927 1 1257 . 1 1 109 109 THR HG23 H 1 1.061 0.015 . 1 . . . . 109 THR QG2 . 6927 1 1258 . 1 1 109 109 THR C C 13 174.472 0.25 . 1 . . . . 109 THR C . 6927 1 1259 . 1 1 109 109 THR CA C 13 62.218 0.25 . 1 . . . . 109 THR CA . 6927 1 1260 . 1 1 109 109 THR CB C 13 69.672 0.25 . 1 . . . . 109 THR CB . 6927 1 1261 . 1 1 109 109 THR CG2 C 13 21.609 0.25 . 1 . . . . 109 THR CG2 . 6927 1 1262 . 1 1 109 109 THR N N 15 116.157 0.06 . 1 . . . . 109 THR N . 6927 1 1263 . 1 1 110 110 LEU H H 1 8.174 0.015 . 1 . . . . 110 LEU H . 6927 1 1264 . 1 1 110 110 LEU HA H 1 4.200 0.015 . 1 . . . . 110 LEU HA . 6927 1 1265 . 1 1 110 110 LEU HB2 H 1 1.533 0.001 . 1 . . . . 110 LEU HB2 . 6927 1 1266 . 1 1 110 110 LEU HB3 H 1 1.421 0.002 . 1 . . . . 110 LEU HB3 . 6927 1 1267 . 1 1 110 110 LEU HG H 1 1.476 0.015 . 1 . . . . 110 LEU HG . 6927 1 1268 . 1 1 110 110 LEU HD11 H 1 0.757 0.002 . 2 . . . . 110 LEU QD1 . 6927 1 1269 . 1 1 110 110 LEU HD12 H 1 0.757 0.002 . 2 . . . . 110 LEU QD1 . 6927 1 1270 . 1 1 110 110 LEU HD13 H 1 0.757 0.002 . 2 . . . . 110 LEU QD1 . 6927 1 1271 . 1 1 110 110 LEU HD21 H 1 0.707 0.001 . 2 . . . . 110 LEU QD2 . 6927 1 1272 . 1 1 110 110 LEU HD22 H 1 0.707 0.001 . 2 . . . . 110 LEU QD2 . 6927 1 1273 . 1 1 110 110 LEU HD23 H 1 0.707 0.001 . 2 . . . . 110 LEU QD2 . 6927 1 1274 . 1 1 110 110 LEU C C 13 177.309 0.25 . 1 . . . . 110 LEU C . 6927 1 1275 . 1 1 110 110 LEU CA C 13 55.279 0.25 . 1 . . . . 110 LEU CA . 6927 1 1276 . 1 1 110 110 LEU CB C 13 42.171 0.25 . 1 . . . . 110 LEU CB . 6927 1 1277 . 1 1 110 110 LEU CG C 13 26.749 0.25 . 1 . . . . 110 LEU CG . 6927 1 1278 . 1 1 110 110 LEU CD1 C 13 25.207 0.25 . 1 . . . . 110 LEU CD1 . 6927 1 1279 . 1 1 110 110 LEU CD2 C 13 23.665 0.25 . 1 . . . . 110 LEU CD2 . 6927 1 1280 . 1 1 110 110 LEU N N 15 124.717 0.06 . 1 . . . . 110 LEU N . 6927 1 1281 . 1 1 111 111 GLU H H 1 8.253 0.015 . 1 . . . . 111 GLU H . 6927 1 1282 . 1 1 111 111 GLU HA H 1 4.111 0.015 . 1 . . . . 111 GLU HA . 6927 1 1283 . 1 1 111 111 GLU HB2 H 1 1.937 0.001 . 1 . . . . 111 GLU HB2 . 6927 1 1284 . 1 1 111 111 GLU HB3 H 1 1.840 0.015 . 1 . . . . 111 GLU HB3 . 6927 1 1285 . 1 1 111 111 GLU HG2 H 1 2.148 0.015 . 1 . . . . 111 GLU HG2 . 6927 1 1286 . 1 1 111 111 GLU HG3 H 1 2.068 0.015 . 1 . . . . 111 GLU HG3 . 6927 1 1287 . 1 1 111 111 GLU C C 13 176.149 0.25 . 1 . . . . 111 GLU C . 6927 1 1288 . 1 1 111 111 GLU CA C 13 56.307 0.25 . 1 . . . . 111 GLU CA . 6927 1 1289 . 1 1 111 111 GLU CB C 13 30.091 0.25 . 1 . . . . 111 GLU CB . 6927 1 1290 . 1 1 111 111 GLU CG C 13 36.259 0.25 . 1 . . . . 111 GLU CG . 6927 1 1291 . 1 1 111 111 GLU N N 15 121.667 0.06 . 1 . . . . 111 GLU N . 6927 1 1292 . 1 1 112 112 GLN H H 1 8.198 0.015 . 1 . . . . 112 GLN H . 6927 1 1293 . 1 1 112 112 GLN HA H 1 4.212 0.015 . 1 . . . . 112 GLN HA . 6927 1 1294 . 1 1 112 112 GLN HB2 H 1 1.971 0.015 . 1 . . . . 112 GLN HB2 . 6927 1 1295 . 1 1 112 112 GLN HB3 H 1 1.855 0.015 . 1 . . . . 112 GLN HB3 . 6927 1 1296 . 1 1 112 112 GLN HG2 H 1 2.252 0.015 . 1 . . . . 112 GLN HG2 . 6927 1 1297 . 1 1 112 112 GLN HG3 H 1 2.173 0.015 . 1 . . . . 112 GLN HG3 . 6927 1 1298 . 1 1 112 112 GLN C C 13 174.957 0.25 . 1 . . . . 112 GLN C . 6927 1 1299 . 1 1 112 112 GLN CA C 13 56.050 0.25 . 1 . . . . 112 GLN CA . 6927 1 1300 . 1 1 112 112 GLN CB C 13 28.805 0.25 . 1 . . . . 112 GLN CB . 6927 1 1301 . 1 1 112 112 GLN CG C 13 33.689 0.25 . 1 . . . . 112 GLN CG . 6927 1 1302 . 1 1 112 112 GLN N N 15 121.601 0.06 . 1 . . . . 112 GLN N . 6927 1 1303 . 1 1 113 113 GLU H H 1 8.010 0.015 . 1 . . . . 113 GLU H . 6927 1 1304 . 1 1 113 113 GLU HA H 1 3.964 0.001 . 1 . . . . 113 GLU HA . 6927 1 1305 . 1 1 113 113 GLU HB2 H 1 1.901 0.015 . 1 . . . . 113 GLU HB2 . 6927 1 1306 . 1 1 113 113 GLU HB3 H 1 1.754 0.001 . 1 . . . . 113 GLU HB3 . 6927 1 1307 . 1 1 113 113 GLU HG2 H 1 2.101 0.001 . 1 . . . . 113 GLU HG2 . 6927 1 1308 . 1 1 113 113 GLU HG3 H 1 2.018 0.002 . 1 . . . . 113 GLU HG3 . 6927 1 1309 . 1 1 113 113 GLU CA C 13 58.106 0.25 . 1 . . . . 113 GLU CA . 6927 1 1310 . 1 1 113 113 GLU CB C 13 30.091 0.25 . 1 . . . . 113 GLU CB . 6927 1 1311 . 1 1 113 113 GLU CG C 13 36.516 0.25 . 1 . . . . 113 GLU CG . 6927 1 1312 . 1 1 113 113 GLU N N 15 128.098 0.06 . 1 . . . . 113 GLU N . 6927 1 stop_ save_