data_11525 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11525 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for PriC N-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-24 _Entry.Accession_date 2013-04-25 _Entry.Last_release_date 2013-08-05 _Entry.Original_release_date 2013-08-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.31 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Takahiko Aramaki . . . 11525 2 Yoshito Abe . . . 11525 3 Tsutomu Katayama . . . 11525 4 Tadashi Ueda . . . 11525 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11525 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PriC . 11525 Primosome . 11525 'Protein structure' . 11525 'Replication restart' . 11525 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11525 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 423 11525 '15N chemical shifts' 112 11525 '1H chemical shifts' 696 11525 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-08-05 2013-04-24 original author . 11525 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RT6 'BMRB Entry Tracking System' 11525 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11525 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23868391 _Citation.Full_citation . _Citation.Title 'Solution structure of the N-terminal domain of a replication restart primosome factor, PriC, in Escherichia coli' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Takahiko Aramaki . . . 11525 1 2 Yoshito Abe . . . 11525 1 3 Tsutomu Katayama . . . 11525 1 4 Tadashi Ueda . . . 11525 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11525 _Assembly.ID 1 _Assembly.Name 'PriC N-temrinal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PriC_N-terminal_domain 1 $PriC_N-terminal_domain A . yes native no no . . . 11525 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PriC_N-terminal_domain _Entity.Sf_category entity _Entity.Sf_framecode PriC_N-terminal_domain _Entity.Entry_ID 11525 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PriC_N-terminal_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKTALLLEKLEGQLATLRQR CAPVSQFATLSARFDRHLFQ TRATTLQACLDEAGDNLAAL RHAVEQQQLPQVAWLAEHLA AQLEAIAREASAWSLREW ; _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11007.640 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RT6 . "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Pric N- Terminal Domain" . . . . . 100.00 98 100.00 100.00 4.20e-60 . . . . 11525 1 2 no DBJ BAA03055 . "primosomal replication protein n' [Escherichia coli]" . . . . . 100.00 175 100.00 100.00 1.46e-59 . . . . 11525 1 3 no DBJ BAB33943 . "primosomal replication protein N'' [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 175 96.94 100.00 7.55e-58 . . . . 11525 1 4 no DBJ BAE76246 . "primosomal replication protein N'' [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 175 100.00 100.00 1.46e-59 . . . . 11525 1 5 no DBJ BAG76016 . "primosomal replication protein N [Escherichia coli SE11]" . . . . . 100.00 175 98.98 100.00 4.88e-59 . . . . 11525 1 6 no DBJ BAI23841 . "primosomal replication protein N [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 175 98.98 100.00 4.88e-59 . . . . 11525 1 7 no EMBL CAP75000 . "Primosomal replication protein N'' [Escherichia coli LF82]" . . . . . 100.00 175 97.96 100.00 1.88e-58 . . . . 11525 1 8 no EMBL CAQ30940 . "primosomal replication protein N'', subunit of primosome [Escherichia coli BL21(DE3)]" . . . . . 100.00 175 100.00 100.00 1.46e-59 . . . . 11525 1 9 no EMBL CAQ97342 . "primosomal replication protein N'' [Escherichia coli IAI1]" . . . . . 100.00 175 98.98 100.00 4.88e-59 . . . . 11525 1 10 no EMBL CAR01811 . "primosomal replication protein N'' [Escherichia coli S88]" . . . . . 100.00 175 96.94 100.00 6.48e-58 . . . . 11525 1 11 no EMBL CAR06700 . "primosomal replication protein N'' [Escherichia coli ED1a]" . . . . . 100.00 175 97.96 100.00 1.88e-58 . . . . 11525 1 12 no GB AAB40221 . "primosomal replication protein n [Escherichia coli]" . . . . . 100.00 175 100.00 100.00 1.46e-59 . . . . 11525 1 13 no GB AAC73569 . "primosomal replication protein N'' [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 175 100.00 100.00 1.46e-59 . . . . 11525 1 14 no GB AAN42067 . "primosomal replication protein N [Shigella flexneri 2a str. 301]" . . . . . 100.00 175 98.98 100.00 3.03e-59 . . . . 11525 1 15 no GB AAN79064 . "Primosomal replication protein N [Escherichia coli CFT073]" . . . . . 100.00 175 96.94 98.98 5.75e-58 . . . . 11525 1 16 no GB AAP15944 . "primosomal replication protein N [Shigella flexneri 2a str. 2457T]" . . . . . 100.00 175 98.98 100.00 2.23e-59 . . . . 11525 1 17 no REF NP_308547 . "primosomal replication protein N'' [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 175 96.94 100.00 7.55e-58 . . . . 11525 1 18 no REF NP_415000 . "primosomal replication protein N'' [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 175 100.00 100.00 1.46e-59 . . . . 11525 1 19 no REF NP_706360 . "primosomal replication protein N'' [Shigella flexneri 2a str. 301]" . . . . . 100.00 175 98.98 100.00 3.03e-59 . . . . 11525 1 20 no REF WP_000626986 . "primosomal replication protein N'' [Escherichia coli]" . . . . . 100.00 175 96.94 97.96 3.00e-56 . . . . 11525 1 21 no REF WP_000844845 . "MULTISPECIES: primosomal replication protein N'' [Shigella]" . . . . . 100.00 175 96.94 98.98 7.55e-57 . . . . 11525 1 22 no SP P23862 . "RecName: Full=Primosomal replication protein N''" . . . . . 100.00 175 100.00 100.00 1.46e-59 . . . . 11525 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 1 MET . 11525 1 2 2 LYS . 11525 1 3 3 THR . 11525 1 4 4 ALA . 11525 1 5 5 LEU . 11525 1 6 6 LEU . 11525 1 7 7 LEU . 11525 1 8 8 GLU . 11525 1 9 9 LYS . 11525 1 10 10 LEU . 11525 1 11 11 GLU . 11525 1 12 12 GLY . 11525 1 13 13 GLN . 11525 1 14 14 LEU . 11525 1 15 15 ALA . 11525 1 16 16 THR . 11525 1 17 17 LEU . 11525 1 18 18 ARG . 11525 1 19 19 GLN . 11525 1 20 20 ARG . 11525 1 21 21 CYS . 11525 1 22 22 ALA . 11525 1 23 23 PRO . 11525 1 24 24 VAL . 11525 1 25 25 SER . 11525 1 26 26 GLN . 11525 1 27 27 PHE . 11525 1 28 28 ALA . 11525 1 29 29 THR . 11525 1 30 30 LEU . 11525 1 31 31 SER . 11525 1 32 32 ALA . 11525 1 33 33 ARG . 11525 1 34 34 PHE . 11525 1 35 35 ASP . 11525 1 36 36 ARG . 11525 1 37 37 HIS . 11525 1 38 38 LEU . 11525 1 39 39 PHE . 11525 1 40 40 GLN . 11525 1 41 41 THR . 11525 1 42 42 ARG . 11525 1 43 43 ALA . 11525 1 44 44 THR . 11525 1 45 45 THR . 11525 1 46 46 LEU . 11525 1 47 47 GLN . 11525 1 48 48 ALA . 11525 1 49 49 CYS . 11525 1 50 50 LEU . 11525 1 51 51 ASP . 11525 1 52 52 GLU . 11525 1 53 53 ALA . 11525 1 54 54 GLY . 11525 1 55 55 ASP . 11525 1 56 56 ASN . 11525 1 57 57 LEU . 11525 1 58 58 ALA . 11525 1 59 59 ALA . 11525 1 60 60 LEU . 11525 1 61 61 ARG . 11525 1 62 62 HIS . 11525 1 63 63 ALA . 11525 1 64 64 VAL . 11525 1 65 65 GLU . 11525 1 66 66 GLN . 11525 1 67 67 GLN . 11525 1 68 68 GLN . 11525 1 69 69 LEU . 11525 1 70 70 PRO . 11525 1 71 71 GLN . 11525 1 72 72 VAL . 11525 1 73 73 ALA . 11525 1 74 74 TRP . 11525 1 75 75 LEU . 11525 1 76 76 ALA . 11525 1 77 77 GLU . 11525 1 78 78 HIS . 11525 1 79 79 LEU . 11525 1 80 80 ALA . 11525 1 81 81 ALA . 11525 1 82 82 GLN . 11525 1 83 83 LEU . 11525 1 84 84 GLU . 11525 1 85 85 ALA . 11525 1 86 86 ILE . 11525 1 87 87 ALA . 11525 1 88 88 ARG . 11525 1 89 89 GLU . 11525 1 90 90 ALA . 11525 1 91 91 SER . 11525 1 92 92 ALA . 11525 1 93 93 TRP . 11525 1 94 94 SER . 11525 1 95 95 LEU . 11525 1 96 96 ARG . 11525 1 97 97 GLU . 11525 1 98 98 TRP . 11525 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 . MET 1 1 11525 1 . LYS 2 2 11525 1 . THR 3 3 11525 1 . ALA 4 4 11525 1 . LEU 5 5 11525 1 . LEU 6 6 11525 1 . LEU 7 7 11525 1 . GLU 8 8 11525 1 . LYS 9 9 11525 1 . LEU 10 10 11525 1 . GLU 11 11 11525 1 . GLY 12 12 11525 1 . GLN 13 13 11525 1 . LEU 14 14 11525 1 . ALA 15 15 11525 1 . THR 16 16 11525 1 . LEU 17 17 11525 1 . ARG 18 18 11525 1 . GLN 19 19 11525 1 . ARG 20 20 11525 1 . CYS 21 21 11525 1 . ALA 22 22 11525 1 . PRO 23 23 11525 1 . VAL 24 24 11525 1 . SER 25 25 11525 1 . GLN 26 26 11525 1 . PHE 27 27 11525 1 . ALA 28 28 11525 1 . THR 29 29 11525 1 . LEU 30 30 11525 1 . SER 31 31 11525 1 . ALA 32 32 11525 1 . ARG 33 33 11525 1 . PHE 34 34 11525 1 . ASP 35 35 11525 1 . ARG 36 36 11525 1 . HIS 37 37 11525 1 . LEU 38 38 11525 1 . PHE 39 39 11525 1 . GLN 40 40 11525 1 . THR 41 41 11525 1 . ARG 42 42 11525 1 . ALA 43 43 11525 1 . THR 44 44 11525 1 . THR 45 45 11525 1 . LEU 46 46 11525 1 . GLN 47 47 11525 1 . ALA 48 48 11525 1 . CYS 49 49 11525 1 . LEU 50 50 11525 1 . ASP 51 51 11525 1 . GLU 52 52 11525 1 . ALA 53 53 11525 1 . GLY 54 54 11525 1 . ASP 55 55 11525 1 . ASN 56 56 11525 1 . LEU 57 57 11525 1 . ALA 58 58 11525 1 . ALA 59 59 11525 1 . LEU 60 60 11525 1 . ARG 61 61 11525 1 . HIS 62 62 11525 1 . ALA 63 63 11525 1 . VAL 64 64 11525 1 . GLU 65 65 11525 1 . GLN 66 66 11525 1 . GLN 67 67 11525 1 . GLN 68 68 11525 1 . LEU 69 69 11525 1 . PRO 70 70 11525 1 . GLN 71 71 11525 1 . VAL 72 72 11525 1 . ALA 73 73 11525 1 . TRP 74 74 11525 1 . LEU 75 75 11525 1 . ALA 76 76 11525 1 . GLU 77 77 11525 1 . HIS 78 78 11525 1 . LEU 79 79 11525 1 . ALA 80 80 11525 1 . ALA 81 81 11525 1 . GLN 82 82 11525 1 . LEU 83 83 11525 1 . GLU 84 84 11525 1 . ALA 85 85 11525 1 . ILE 86 86 11525 1 . ALA 87 87 11525 1 . ARG 88 88 11525 1 . GLU 89 89 11525 1 . ALA 90 90 11525 1 . SER 91 91 11525 1 . ALA 92 92 11525 1 . TRP 93 93 11525 1 . SER 94 94 11525 1 . LEU 95 95 11525 1 . ARG 96 96 11525 1 . GLU 97 97 11525 1 . TRP 98 98 11525 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 11525 _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 $PriC_N-terminal_domain . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . priC . . . . 11525 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 11525 _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 $PriC_N-terminal_domain . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET22b(+) . . . . . . 11525 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11525 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PriC N-terminal domain' '[U-99% 13C; U-99% 15N]' . . 1 $PriC_N-terminal_domain . protein 0.5 . . mM . . . . 11525 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 11525 1 3 H2O . . . . . . solvent 90 . . % . . . . 11525 1 4 D2O . . . . . . solvent 10 . . % . . . . 11525 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11525 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PriC N-terminal domain' '[U-98% 15N]' . . 1 $PriC_N-terminal_domain . protein 0.2 . . mM . . . . 11525 2 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 11525 2 3 D2O . . . . . . solvent 100 . . % . . . . 11525 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11525 _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' 150 . mM 11525 1 pH 6.0 . pH 11525 1 pressure 1 . atm 11525 1 temperature 298 . K 11525 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11525 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11525 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11525 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11525 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11525 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11525 2 stop_ save_ save_olivia _Software.Sf_category software _Software.Sf_framecode olivia _Software.Entry_ID 11525 _Software.ID 3 _Software.Name Olivia _Software.Version 1.16.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Olivia Developer Team' . http://fermi.pharm.hokudai.ac.jp 11525 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11525 3 'data analysis' 11525 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11525 _Software.ID 4 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11525 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11525 4 'structure solution' 11525 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11525 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11525 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 11525 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11525 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 11 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 15 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 16 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 17 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 18 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11525 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11525 _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 internal indirect 0.251449530 . . . . . . . . . 11525 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11525 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 11525 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11525 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11525 1 14 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11525 1 16 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 11525 1 17 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 11525 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 LYS HA H 1 4.161 0.024 . 1 . . . A 2 LYS HA . 11525 1 2 . 1 1 2 2 LYS HB2 H 1 1.889 0.024 . 2 . . . A 2 LYS HB2 . 11525 1 3 . 1 1 2 2 LYS HB3 H 1 1.889 0.024 . 2 . . . A 2 LYS HB3 . 11525 1 4 . 1 1 2 2 LYS HG2 H 1 1.431 0.02 . 2 . . . A 2 LYS HG2 . 11525 1 5 . 1 1 2 2 LYS HG3 H 1 1.431 0.02 . 2 . . . A 2 LYS HG3 . 11525 1 6 . 1 1 2 2 LYS HD2 H 1 1.713 0.016 . 2 . . . A 2 LYS HD2 . 11525 1 7 . 1 1 2 2 LYS HD3 H 1 1.713 0.016 . 2 . . . A 2 LYS HD3 . 11525 1 8 . 1 1 2 2 LYS HE2 H 1 3.016 0.022 . 2 . . . A 2 LYS HE2 . 11525 1 9 . 1 1 2 2 LYS HE3 H 1 3.016 0.022 . 2 . . . A 2 LYS HE3 . 11525 1 10 . 1 1 2 2 LYS C C 13 178.309 0.1 . 1 . . . A 2 LYS C . 11525 1 11 . 1 1 2 2 LYS CA C 13 58.654 0.528 . 1 . . . A 2 LYS CA . 11525 1 12 . 1 1 2 2 LYS CB C 13 32.598 0.427 . 1 . . . A 2 LYS CB . 11525 1 13 . 1 1 2 2 LYS CG C 13 24.957 0.1 . 1 . . . A 2 LYS CG . 11525 1 14 . 1 1 2 2 LYS CD C 13 28.954 0.145 . 1 . . . A 2 LYS CD . 11525 1 15 . 1 1 2 2 LYS CE C 13 42.029 0.052 . 1 . . . A 2 LYS CE . 11525 1 16 . 1 1 3 3 THR H H 1 8.331 0.004 . 1 . . . A 3 THR H . 11525 1 17 . 1 1 3 3 THR HA H 1 4.098 0.017 . 1 . . . A 3 THR HA . 11525 1 18 . 1 1 3 3 THR HB H 1 4.200 0.01 . 1 . . . A 3 THR HB . 11525 1 19 . 1 1 3 3 THR HG21 H 1 1.283 0.025 . 1 . . . A 3 THR HG21 . 11525 1 20 . 1 1 3 3 THR HG22 H 1 1.283 0.025 . 1 . . . A 3 THR HG22 . 11525 1 21 . 1 1 3 3 THR HG23 H 1 1.283 0.025 . 1 . . . A 3 THR HG23 . 11525 1 22 . 1 1 3 3 THR C C 13 175.030 0.1 . 1 . . . A 3 THR C . 11525 1 23 . 1 1 3 3 THR CA C 13 64.401 0.055 . 1 . . . A 3 THR CA . 11525 1 24 . 1 1 3 3 THR CB C 13 68.916 0.333 . 1 . . . A 3 THR CB . 11525 1 25 . 1 1 3 3 THR CG2 C 13 22.624 0.327 . 1 . . . A 3 THR CG2 . 11525 1 26 . 1 1 3 3 THR N N 15 115.036 0.2 . 1 . . . A 3 THR N . 11525 1 27 . 1 1 4 4 ALA H H 1 8.016 0.006 . 1 . . . A 4 ALA H . 11525 1 28 . 1 1 4 4 ALA HA H 1 4.168 0.01 . 1 . . . A 4 ALA HA . 11525 1 29 . 1 1 4 4 ALA HB1 H 1 1.435 0.027 . 1 . . . A 4 ALA HB1 . 11525 1 30 . 1 1 4 4 ALA HB2 H 1 1.435 0.027 . 1 . . . A 4 ALA HB2 . 11525 1 31 . 1 1 4 4 ALA HB3 H 1 1.435 0.027 . 1 . . . A 4 ALA HB3 . 11525 1 32 . 1 1 4 4 ALA C C 13 179.394 0.1 . 1 . . . A 4 ALA C . 11525 1 33 . 1 1 4 4 ALA CA C 13 54.435 0.247 . 1 . . . A 4 ALA CA . 11525 1 34 . 1 1 4 4 ALA CB C 13 18.966 0.1 . 1 . . . A 4 ALA CB . 11525 1 35 . 1 1 4 4 ALA N N 15 124.795 0.2 . 1 . . . A 4 ALA N . 11525 1 36 . 1 1 5 5 LEU H H 1 7.940 0.006 . 1 . . . A 5 LEU H . 11525 1 37 . 1 1 5 5 LEU HA H 1 4.136 0.02 . 1 . . . A 5 LEU HA . 11525 1 38 . 1 1 5 5 LEU HB2 H 1 1.574 0.01 . 2 . . . A 5 LEU HB2 . 11525 1 39 . 1 1 5 5 LEU HB3 H 1 1.574 0.01 . 2 . . . A 5 LEU HB3 . 11525 1 40 . 1 1 5 5 LEU HG H 1 1.710 0.02 . 1 . . . A 5 LEU HG . 11525 1 41 . 1 1 5 5 LEU HD11 H 1 0.853 0.02 . 2 . . . A 5 LEU HD11 . 11525 1 42 . 1 1 5 5 LEU HD12 H 1 0.853 0.02 . 2 . . . A 5 LEU HD12 . 11525 1 43 . 1 1 5 5 LEU HD13 H 1 0.853 0.02 . 2 . . . A 5 LEU HD13 . 11525 1 44 . 1 1 5 5 LEU HD21 H 1 0.853 0.02 . 2 . . . A 5 LEU HD21 . 11525 1 45 . 1 1 5 5 LEU HD22 H 1 0.853 0.02 . 2 . . . A 5 LEU HD22 . 11525 1 46 . 1 1 5 5 LEU HD23 H 1 0.853 0.02 . 2 . . . A 5 LEU HD23 . 11525 1 47 . 1 1 5 5 LEU C C 13 178.926 0.029 . 1 . . . A 5 LEU C . 11525 1 48 . 1 1 5 5 LEU CA C 13 57.333 0.097 . 1 . . . A 5 LEU CA . 11525 1 49 . 1 1 5 5 LEU CB C 13 41.859 0.155 . 1 . . . A 5 LEU CB . 11525 1 50 . 1 1 5 5 LEU CG C 13 27.291 0.1 . 1 . . . A 5 LEU CG . 11525 1 51 . 1 1 5 5 LEU CD1 C 13 24.697 0.1 . 1 . . . A 5 LEU CD1 . 11525 1 52 . 1 1 5 5 LEU CD2 C 13 23.264 0.1 . 1 . . . A 5 LEU CD2 . 11525 1 53 . 1 1 5 5 LEU N N 15 119.683 0.029 . 1 . . . A 5 LEU N . 11525 1 54 . 1 1 6 6 LEU H H 1 7.772 0.005 . 1 . . . A 6 LEU H . 11525 1 55 . 1 1 6 6 LEU HA H 1 4.142 0.005 . 1 . . . A 6 LEU HA . 11525 1 56 . 1 1 6 6 LEU HB2 H 1 1.684 0.02 . 2 . . . A 6 LEU HB2 . 11525 1 57 . 1 1 6 6 LEU HB3 H 1 1.684 0.02 . 2 . . . A 6 LEU HB3 . 11525 1 58 . 1 1 6 6 LEU HG H 1 1.813 0.02 . 1 . . . A 6 LEU HG . 11525 1 59 . 1 1 6 6 LEU HD11 H 1 0.864 0.02 . 2 . . . A 6 LEU HD11 . 11525 1 60 . 1 1 6 6 LEU HD12 H 1 0.864 0.02 . 2 . . . A 6 LEU HD12 . 11525 1 61 . 1 1 6 6 LEU HD13 H 1 0.864 0.02 . 2 . . . A 6 LEU HD13 . 11525 1 62 . 1 1 6 6 LEU HD21 H 1 0.864 0.02 . 2 . . . A 6 LEU HD21 . 11525 1 63 . 1 1 6 6 LEU HD22 H 1 0.864 0.02 . 2 . . . A 6 LEU HD22 . 11525 1 64 . 1 1 6 6 LEU HD23 H 1 0.864 0.02 . 2 . . . A 6 LEU HD23 . 11525 1 65 . 1 1 6 6 LEU C C 13 178.259 0.03 . 1 . . . A 6 LEU C . 11525 1 66 . 1 1 6 6 LEU CA C 13 57.737 0.137 . 1 . . . A 6 LEU CA . 11525 1 67 . 1 1 6 6 LEU CB C 13 42.206 0.142 . 1 . . . A 6 LEU CB . 11525 1 68 . 1 1 6 6 LEU CG C 13 27.652 0.1 . 1 . . . A 6 LEU CG . 11525 1 69 . 1 1 6 6 LEU CD1 C 13 23.372 0.1 . 2 . . . A 6 LEU CD1 . 11525 1 70 . 1 1 6 6 LEU CD2 C 13 23.372 0.1 . 2 . . . A 6 LEU CD2 . 11525 1 71 . 1 1 6 6 LEU N N 15 121.461 0.03 . 1 . . . A 6 LEU N . 11525 1 72 . 1 1 7 7 LEU H H 1 7.819 0.007 . 1 . . . A 7 LEU H . 11525 1 73 . 1 1 7 7 LEU HA H 1 3.944 0.017 . 1 . . . A 7 LEU HA . 11525 1 74 . 1 1 7 7 LEU HB2 H 1 1.813 0.014 . 1 . . . A 7 LEU HB2 . 11525 1 75 . 1 1 7 7 LEU HB3 H 1 1.674 0.01 . 1 . . . A 7 LEU HB3 . 11525 1 76 . 1 1 7 7 LEU HG H 1 1.746 0.02 . 1 . . . A 7 LEU HG . 11525 1 77 . 1 1 7 7 LEU HD11 H 1 0.868 0.021 . 2 . . . A 7 LEU HD11 . 11525 1 78 . 1 1 7 7 LEU HD12 H 1 0.868 0.021 . 2 . . . A 7 LEU HD12 . 11525 1 79 . 1 1 7 7 LEU HD13 H 1 0.868 0.021 . 2 . . . A 7 LEU HD13 . 11525 1 80 . 1 1 7 7 LEU HD21 H 1 0.868 0.021 . 2 . . . A 7 LEU HD21 . 11525 1 81 . 1 1 7 7 LEU HD22 H 1 0.868 0.021 . 2 . . . A 7 LEU HD22 . 11525 1 82 . 1 1 7 7 LEU HD23 H 1 0.868 0.021 . 2 . . . A 7 LEU HD23 . 11525 1 83 . 1 1 7 7 LEU C C 13 178.064 0.1 . 1 . . . A 7 LEU C . 11525 1 84 . 1 1 7 7 LEU CA C 13 58.427 0.075 . 1 . . . A 7 LEU CA . 11525 1 85 . 1 1 7 7 LEU CB C 13 41.980 0.134 . 1 . . . A 7 LEU CB . 11525 1 86 . 1 1 7 7 LEU CG C 13 27.529 0.03 . 1 . . . A 7 LEU CG . 11525 1 87 . 1 1 7 7 LEU CD1 C 13 24.847 0.1 . 2 . . . A 7 LEU CD1 . 11525 1 88 . 1 1 7 7 LEU CD2 C 13 24.847 0.1 . 2 . . . A 7 LEU CD2 . 11525 1 89 . 1 1 7 7 LEU N N 15 118.551 0.2 . 1 . . . A 7 LEU N . 11525 1 90 . 1 1 8 8 GLU H H 1 8.031 0.016 . 1 . . . A 8 GLU H . 11525 1 91 . 1 1 8 8 GLU HA H 1 4.105 0.008 . 1 . . . A 8 GLU HA . 11525 1 92 . 1 1 8 8 GLU HB2 H 1 2.105 0.017 . 2 . . . A 8 GLU HB2 . 11525 1 93 . 1 1 8 8 GLU HB3 H 1 2.105 0.017 . 2 . . . A 8 GLU HB3 . 11525 1 94 . 1 1 8 8 GLU HG2 H 1 2.294 0.02 . 1 . . . A 8 GLU HG2 . 11525 1 95 . 1 1 8 8 GLU HG3 H 1 2.446 0.005 . 1 . . . A 8 GLU HG3 . 11525 1 96 . 1 1 8 8 GLU C C 13 179.902 0.015 . 1 . . . A 8 GLU C . 11525 1 97 . 1 1 8 8 GLU CA C 13 59.421 0.136 . 1 . . . A 8 GLU CA . 11525 1 98 . 1 1 8 8 GLU CB C 13 29.719 0.306 . 1 . . . A 8 GLU CB . 11525 1 99 . 1 1 8 8 GLU CG C 13 36.118 0.497 . 1 . . . A 8 GLU CG . 11525 1 100 . 1 1 8 8 GLU N N 15 117.617 0.015 . 1 . . . A 8 GLU N . 11525 1 101 . 1 1 9 9 LYS H H 1 8.106 0.008 . 1 . . . A 9 LYS H . 11525 1 102 . 1 1 9 9 LYS HA H 1 4.134 0.019 . 1 . . . A 9 LYS HA . 11525 1 103 . 1 1 9 9 LYS HB2 H 1 2.035 0.015 . 2 . . . A 9 LYS HB2 . 11525 1 104 . 1 1 9 9 LYS HB3 H 1 2.035 0.015 . 2 . . . A 9 LYS HB3 . 11525 1 105 . 1 1 9 9 LYS HG2 H 1 1.375 0.012 . 2 . . . A 9 LYS HG2 . 11525 1 106 . 1 1 9 9 LYS HG3 H 1 1.375 0.012 . 2 . . . A 9 LYS HG3 . 11525 1 107 . 1 1 9 9 LYS HD2 H 1 1.679 0.03 . 2 . . . A 9 LYS HD2 . 11525 1 108 . 1 1 9 9 LYS HD3 H 1 1.679 0.03 . 2 . . . A 9 LYS HD3 . 11525 1 109 . 1 1 9 9 LYS HE2 H 1 2.918 0.033 . 2 . . . A 9 LYS HE2 . 11525 1 110 . 1 1 9 9 LYS HE3 H 1 2.918 0.033 . 2 . . . A 9 LYS HE3 . 11525 1 111 . 1 1 9 9 LYS C C 13 179.869 0.1 . 1 . . . A 9 LYS C . 11525 1 112 . 1 1 9 9 LYS CA C 13 59.377 0.23 . 1 . . . A 9 LYS CA . 11525 1 113 . 1 1 9 9 LYS CB C 13 32.387 0.308 . 1 . . . A 9 LYS CB . 11525 1 114 . 1 1 9 9 LYS CG C 13 24.743 0.124 . 1 . . . A 9 LYS CG . 11525 1 115 . 1 1 9 9 LYS CD C 13 29.150 0.038 . 1 . . . A 9 LYS CD . 11525 1 116 . 1 1 9 9 LYS CE C 13 41.992 0.365 . 1 . . . A 9 LYS CE . 11525 1 117 . 1 1 9 9 LYS N N 15 121.008 0.2 . 1 . . . A 9 LYS N . 11525 1 118 . 1 1 10 10 LEU H H 1 8.161 0.006 . 1 . . . A 10 LEU H . 11525 1 119 . 1 1 10 10 LEU HA H 1 4.108 0.007 . 1 . . . A 10 LEU HA . 11525 1 120 . 1 1 10 10 LEU HB2 H 1 1.248 0.011 . 1 . . . A 10 LEU HB2 . 11525 1 121 . 1 1 10 10 LEU HB3 H 1 1.885 0.016 . 1 . . . A 10 LEU HB3 . 11525 1 122 . 1 1 10 10 LEU HG H 1 1.899 0.008 . 1 . . . A 10 LEU HG . 11525 1 123 . 1 1 10 10 LEU HD11 H 1 0.843 0.002 . 1 . . . A 10 LEU HD11 . 11525 1 124 . 1 1 10 10 LEU HD12 H 1 0.843 0.002 . 1 . . . A 10 LEU HD12 . 11525 1 125 . 1 1 10 10 LEU HD13 H 1 0.843 0.002 . 1 . . . A 10 LEU HD13 . 11525 1 126 . 1 1 10 10 LEU HD21 H 1 0.875 0.009 . 1 . . . A 10 LEU HD21 . 11525 1 127 . 1 1 10 10 LEU HD22 H 1 0.875 0.009 . 1 . . . A 10 LEU HD22 . 11525 1 128 . 1 1 10 10 LEU HD23 H 1 0.875 0.009 . 1 . . . A 10 LEU HD23 . 11525 1 129 . 1 1 10 10 LEU C C 13 178.546 0.009 . 1 . . . A 10 LEU C . 11525 1 130 . 1 1 10 10 LEU CA C 13 58.111 0.05 . 1 . . . A 10 LEU CA . 11525 1 131 . 1 1 10 10 LEU CB C 13 41.935 0.138 . 1 . . . A 10 LEU CB . 11525 1 132 . 1 1 10 10 LEU CG C 13 26.856 0.575 . 1 . . . A 10 LEU CG . 11525 1 133 . 1 1 10 10 LEU CD1 C 13 26.089 0.1 . 1 . . . A 10 LEU CD1 . 11525 1 134 . 1 1 10 10 LEU CD2 C 13 24.710 0.1 . 1 . . . A 10 LEU CD2 . 11525 1 135 . 1 1 10 10 LEU N N 15 120.716 0.009 . 1 . . . A 10 LEU N . 11525 1 136 . 1 1 11 11 GLU H H 1 8.819 0.006 . 1 . . . A 11 GLU H . 11525 1 137 . 1 1 11 11 GLU HA H 1 3.985 0.033 . 1 . . . A 11 GLU HA . 11525 1 138 . 1 1 11 11 GLU HB2 H 1 2.221 0.02 . 1 . . . A 11 GLU HB2 . 11525 1 139 . 1 1 11 11 GLU HB3 H 1 2.127 0.007 . 1 . . . A 11 GLU HB3 . 11525 1 140 . 1 1 11 11 GLU HG2 H 1 2.353 0.015 . 2 . . . A 11 GLU HG2 . 11525 1 141 . 1 1 11 11 GLU HG3 H 1 2.353 0.015 . 2 . . . A 11 GLU HG3 . 11525 1 142 . 1 1 11 11 GLU C C 13 179.988 0.006 . 1 . . . A 11 GLU C . 11525 1 143 . 1 1 11 11 GLU CA C 13 59.769 0.147 . 1 . . . A 11 GLU CA . 11525 1 144 . 1 1 11 11 GLU CB C 13 29.958 0.168 . 1 . . . A 11 GLU CB . 11525 1 145 . 1 1 11 11 GLU CG C 13 36.284 0.173 . 1 . . . A 11 GLU CG . 11525 1 146 . 1 1 11 11 GLU N N 15 119.132 0.006 . 1 . . . A 11 GLU N . 11525 1 147 . 1 1 12 12 GLY H H 1 8.094 0.005 . 1 . . . A 12 GLY H . 11525 1 148 . 1 1 12 12 GLY HA2 H 1 3.991 0.004 . 2 . . . A 12 GLY HA2 . 11525 1 149 . 1 1 12 12 GLY HA3 H 1 3.991 0.004 . 2 . . . A 12 GLY HA3 . 11525 1 150 . 1 1 12 12 GLY C C 13 176.485 0.003 . 1 . . . A 12 GLY C . 11525 1 151 . 1 1 12 12 GLY CA C 13 47.119 0.153 . 1 . . . A 12 GLY CA . 11525 1 152 . 1 1 12 12 GLY N N 15 106.929 0.003 . 1 . . . A 12 GLY N . 11525 1 153 . 1 1 13 13 GLN H H 1 8.227 0.007 . 1 . . . A 13 GLN H . 11525 1 154 . 1 1 13 13 GLN HA H 1 4.128 0.011 . 1 . . . A 13 GLN HA . 11525 1 155 . 1 1 13 13 GLN HB2 H 1 2.272 0.009 . 2 . . . A 13 GLN HB2 . 11525 1 156 . 1 1 13 13 GLN HB3 H 1 2.272 0.009 . 2 . . . A 13 GLN HB3 . 11525 1 157 . 1 1 13 13 GLN HG2 H 1 2.284 0.008 . 1 . . . A 13 GLN HG2 . 11525 1 158 . 1 1 13 13 GLN HG3 H 1 2.561 0.011 . 1 . . . A 13 GLN HG3 . 11525 1 159 . 1 1 13 13 GLN HE21 H 1 7.210 0.001 . 1 . . . A 13 GLN HE21 . 11525 1 160 . 1 1 13 13 GLN HE22 H 1 6.652 0.004 . 1 . . . A 13 GLN HE22 . 11525 1 161 . 1 1 13 13 GLN C C 13 178.976 0.008 . 1 . . . A 13 GLN C . 11525 1 162 . 1 1 13 13 GLN CA C 13 59.161 0.046 . 1 . . . A 13 GLN CA . 11525 1 163 . 1 1 13 13 GLN CB C 13 29.278 0.154 . 1 . . . A 13 GLN CB . 11525 1 164 . 1 1 13 13 GLN CG C 13 34.336 0.008 . 1 . . . A 13 GLN CG . 11525 1 165 . 1 1 13 13 GLN N N 15 123.270 0.008 . 1 . . . A 13 GLN N . 11525 1 166 . 1 1 13 13 GLN NE2 N 15 108.156 0.2 . 1 . . . A 13 GLN NE2 . 11525 1 167 . 1 1 14 14 LEU H H 1 8.428 0.006 . 1 . . . A 14 LEU H . 11525 1 168 . 1 1 14 14 LEU HA H 1 3.968 0.009 . 1 . . . A 14 LEU HA . 11525 1 169 . 1 1 14 14 LEU HB2 H 1 2.049 0.009 . 1 . . . A 14 LEU HB2 . 11525 1 170 . 1 1 14 14 LEU HB3 H 1 1.468 0.014 . 1 . . . A 14 LEU HB3 . 11525 1 171 . 1 1 14 14 LEU HD11 H 1 0.958 0.004 . 1 . . . A 14 LEU HD11 . 11525 1 172 . 1 1 14 14 LEU HD12 H 1 0.958 0.004 . 1 . . . A 14 LEU HD12 . 11525 1 173 . 1 1 14 14 LEU HD13 H 1 0.958 0.004 . 1 . . . A 14 LEU HD13 . 11525 1 174 . 1 1 14 14 LEU HD21 H 1 0.813 0.02 . 1 . . . A 14 LEU HD21 . 11525 1 175 . 1 1 14 14 LEU HD22 H 1 0.813 0.02 . 1 . . . A 14 LEU HD22 . 11525 1 176 . 1 1 14 14 LEU HD23 H 1 0.813 0.02 . 1 . . . A 14 LEU HD23 . 11525 1 177 . 1 1 14 14 LEU C C 13 177.709 0.021 . 1 . . . A 14 LEU C . 11525 1 178 . 1 1 14 14 LEU CA C 13 58.360 0.05 . 1 . . . A 14 LEU CA . 11525 1 179 . 1 1 14 14 LEU CB C 13 40.968 0.208 . 1 . . . A 14 LEU CB . 11525 1 180 . 1 1 14 14 LEU CD1 C 13 25.090 0.1 . 1 . . . A 14 LEU CD1 . 11525 1 181 . 1 1 14 14 LEU CD2 C 13 23.091 0.1 . 1 . . . A 14 LEU CD2 . 11525 1 182 . 1 1 14 14 LEU N N 15 120.329 0.021 . 1 . . . A 14 LEU N . 11525 1 183 . 1 1 15 15 ALA H H 1 8.198 0.006 . 1 . . . A 15 ALA H . 11525 1 184 . 1 1 15 15 ALA HA H 1 4.061 0.01 . 1 . . . A 15 ALA HA . 11525 1 185 . 1 1 15 15 ALA HB1 H 1 1.537 0.047 . 1 . . . A 15 ALA HB1 . 11525 1 186 . 1 1 15 15 ALA HB2 H 1 1.537 0.047 . 1 . . . A 15 ALA HB2 . 11525 1 187 . 1 1 15 15 ALA HB3 H 1 1.537 0.047 . 1 . . . A 15 ALA HB3 . 11525 1 188 . 1 1 15 15 ALA C C 13 181.408 0.028 . 1 . . . A 15 ALA C . 11525 1 189 . 1 1 15 15 ALA CA C 13 55.909 0.162 . 1 . . . A 15 ALA CA . 11525 1 190 . 1 1 15 15 ALA CB C 13 18.105 0.356 . 1 . . . A 15 ALA CB . 11525 1 191 . 1 1 15 15 ALA N N 15 121.266 0.028 . 1 . . . A 15 ALA N . 11525 1 192 . 1 1 16 16 THR H H 1 8.265 0.002 . 1 . . . A 16 THR H . 11525 1 193 . 1 1 16 16 THR HA H 1 4.025 0.019 . 1 . . . A 16 THR HA . 11525 1 194 . 1 1 16 16 THR HB H 1 4.308 0.022 . 1 . . . A 16 THR HB . 11525 1 195 . 1 1 16 16 THR HG21 H 1 1.289 0.023 . 1 . . . A 16 THR HG21 . 11525 1 196 . 1 1 16 16 THR HG22 H 1 1.289 0.023 . 1 . . . A 16 THR HG22 . 11525 1 197 . 1 1 16 16 THR HG23 H 1 1.289 0.023 . 1 . . . A 16 THR HG23 . 11525 1 198 . 1 1 16 16 THR C C 13 176.872 0.051 . 1 . . . A 16 THR C . 11525 1 199 . 1 1 16 16 THR CA C 13 66.537 0.105 . 1 . . . A 16 THR CA . 11525 1 200 . 1 1 16 16 THR CB C 13 68.780 0.122 . 1 . . . A 16 THR CB . 11525 1 201 . 1 1 16 16 THR CG2 C 13 21.614 0.041 . 1 . . . A 16 THR CG2 . 11525 1 202 . 1 1 16 16 THR N N 15 115.360 0.051 . 1 . . . A 16 THR N . 11525 1 203 . 1 1 17 17 LEU H H 1 8.239 0.006 . 1 . . . A 17 LEU H . 11525 1 204 . 1 1 17 17 LEU HA H 1 4.100 0.011 . 1 . . . A 17 LEU HA . 11525 1 205 . 1 1 17 17 LEU HB2 H 1 1.422 0.013 . 1 . . . A 17 LEU HB2 . 11525 1 206 . 1 1 17 17 LEU HB3 H 1 1.964 0.033 . 1 . . . A 17 LEU HB3 . 11525 1 207 . 1 1 17 17 LEU HG H 1 1.655 0.054 . 1 . . . A 17 LEU HG . 11525 1 208 . 1 1 17 17 LEU HD11 H 1 0.807 0.02 . 1 . . . A 17 LEU HD11 . 11525 1 209 . 1 1 17 17 LEU HD12 H 1 0.807 0.02 . 1 . . . A 17 LEU HD12 . 11525 1 210 . 1 1 17 17 LEU HD13 H 1 0.807 0.02 . 1 . . . A 17 LEU HD13 . 11525 1 211 . 1 1 17 17 LEU HD21 H 1 0.913 0.028 . 1 . . . A 17 LEU HD21 . 11525 1 212 . 1 1 17 17 LEU HD22 H 1 0.913 0.028 . 1 . . . A 17 LEU HD22 . 11525 1 213 . 1 1 17 17 LEU HD23 H 1 0.913 0.028 . 1 . . . A 17 LEU HD23 . 11525 1 214 . 1 1 17 17 LEU C C 13 179.180 0.1 . 1 . . . A 17 LEU C . 11525 1 215 . 1 1 17 17 LEU CA C 13 58.237 0.065 . 1 . . . A 17 LEU CA . 11525 1 216 . 1 1 17 17 LEU CB C 13 42.334 0.23 . 1 . . . A 17 LEU CB . 11525 1 217 . 1 1 17 17 LEU CG C 13 27.116 0.1 . 1 . . . A 17 LEU CG . 11525 1 218 . 1 1 17 17 LEU CD1 C 13 25.922 0.1 . 1 . . . A 17 LEU CD1 . 11525 1 219 . 1 1 17 17 LEU CD2 C 13 23.639 0.143 . 1 . . . A 17 LEU CD2 . 11525 1 220 . 1 1 17 17 LEU N N 15 123.321 0.2 . 1 . . . A 17 LEU N . 11525 1 221 . 1 1 18 18 ARG H H 1 8.936 0.006 . 1 . . . A 18 ARG H . 11525 1 222 . 1 1 18 18 ARG HA H 1 3.863 0.016 . 1 . . . A 18 ARG HA . 11525 1 223 . 1 1 18 18 ARG HB2 H 1 1.948 0.011 . 2 . . . A 18 ARG HB2 . 11525 1 224 . 1 1 18 18 ARG HB3 H 1 1.948 0.011 . 2 . . . A 18 ARG HB3 . 11525 1 225 . 1 1 18 18 ARG HG2 H 1 1.888 0.021 . 2 . . . A 18 ARG HG2 . 11525 1 226 . 1 1 18 18 ARG HG3 H 1 1.888 0.021 . 2 . . . A 18 ARG HG3 . 11525 1 227 . 1 1 18 18 ARG HD2 H 1 3.184 0.034 . 2 . . . A 18 ARG HD2 . 11525 1 228 . 1 1 18 18 ARG HD3 H 1 3.184 0.034 . 2 . . . A 18 ARG HD3 . 11525 1 229 . 1 1 18 18 ARG HE H 1 7.156 0.004 . 1 . . . A 18 ARG HE . 11525 1 230 . 1 1 18 18 ARG C C 13 179.228 0.055 . 1 . . . A 18 ARG C . 11525 1 231 . 1 1 18 18 ARG CA C 13 60.542 0.117 . 1 . . . A 18 ARG CA . 11525 1 232 . 1 1 18 18 ARG CB C 13 30.279 0.569 . 1 . . . A 18 ARG CB . 11525 1 233 . 1 1 18 18 ARG CG C 13 28.844 0.092 . 1 . . . A 18 ARG CG . 11525 1 234 . 1 1 18 18 ARG CD C 13 44.008 0.196 . 1 . . . A 18 ARG CD . 11525 1 235 . 1 1 18 18 ARG N N 15 119.507 0.055 . 1 . . . A 18 ARG N . 11525 1 236 . 1 1 18 18 ARG NE N 15 83.966 0.2 . 1 . . . A 18 ARG NE . 11525 1 237 . 1 1 19 19 GLN H H 1 7.480 0.005 . 1 . . . A 19 GLN H . 11525 1 238 . 1 1 19 19 GLN HA H 1 4.137 0.015 . 1 . . . A 19 GLN HA . 11525 1 239 . 1 1 19 19 GLN HB2 H 1 2.260 0.016 . 2 . . . A 19 GLN HB2 . 11525 1 240 . 1 1 19 19 GLN HB3 H 1 2.260 0.016 . 2 . . . A 19 GLN HB3 . 11525 1 241 . 1 1 19 19 GLN HG2 H 1 2.559 0.031 . 2 . . . A 19 GLN HG2 . 11525 1 242 . 1 1 19 19 GLN HG3 H 1 2.559 0.031 . 2 . . . A 19 GLN HG3 . 11525 1 243 . 1 1 19 19 GLN HE21 H 1 7.438 0.02 . 1 . . . A 19 GLN HE21 . 11525 1 244 . 1 1 19 19 GLN HE22 H 1 6.863 0.02 . 1 . . . A 19 GLN HE22 . 11525 1 245 . 1 1 19 19 GLN C C 13 178.788 0.014 . 1 . . . A 19 GLN C . 11525 1 246 . 1 1 19 19 GLN CA C 13 58.795 0.179 . 1 . . . A 19 GLN CA . 11525 1 247 . 1 1 19 19 GLN CB C 13 28.712 0.259 . 1 . . . A 19 GLN CB . 11525 1 248 . 1 1 19 19 GLN CG C 13 33.604 0.1 . 1 . . . A 19 GLN CG . 11525 1 249 . 1 1 19 19 GLN N N 15 117.365 0.014 . 1 . . . A 19 GLN N . 11525 1 250 . 1 1 19 19 GLN NE2 N 15 111.663 0.2 . 1 . . . A 19 GLN NE2 . 11525 1 251 . 1 1 20 20 ARG H H 1 8.409 0.004 . 1 . . . A 20 ARG H . 11525 1 252 . 1 1 20 20 ARG HA H 1 4.123 0.004 . 1 . . . A 20 ARG HA . 11525 1 253 . 1 1 20 20 ARG HB2 H 1 1.978 0.013 . 2 . . . A 20 ARG HB2 . 11525 1 254 . 1 1 20 20 ARG HB3 H 1 1.978 0.013 . 2 . . . A 20 ARG HB3 . 11525 1 255 . 1 1 20 20 ARG HG2 H 1 1.678 0.008 . 2 . . . A 20 ARG HG2 . 11525 1 256 . 1 1 20 20 ARG HG3 H 1 1.678 0.008 . 2 . . . A 20 ARG HG3 . 11525 1 257 . 1 1 20 20 ARG HD2 H 1 3.253 0.06 . 2 . . . A 20 ARG HD2 . 11525 1 258 . 1 1 20 20 ARG HD3 H 1 3.253 0.06 . 2 . . . A 20 ARG HD3 . 11525 1 259 . 1 1 20 20 ARG HE H 1 7.172 0.02 . 1 . . . A 20 ARG HE . 11525 1 260 . 1 1 20 20 ARG C C 13 178.132 0.035 . 1 . . . A 20 ARG C . 11525 1 261 . 1 1 20 20 ARG CA C 13 58.714 0.168 . 1 . . . A 20 ARG CA . 11525 1 262 . 1 1 20 20 ARG CB C 13 31.017 0.645 . 1 . . . A 20 ARG CB . 11525 1 263 . 1 1 20 20 ARG CG C 13 27.304 0.1 . 1 . . . A 20 ARG CG . 11525 1 264 . 1 1 20 20 ARG CD C 13 43.669 0.735 . 1 . . . A 20 ARG CD . 11525 1 265 . 1 1 20 20 ARG N N 15 119.389 0.035 . 1 . . . A 20 ARG N . 11525 1 266 . 1 1 20 20 ARG NE N 15 84.560 0.2 . 1 . . . A 20 ARG NE . 11525 1 267 . 1 1 21 21 CYS H H 1 8.022 0.005 . 1 . . . A 21 CYS H . 11525 1 268 . 1 1 21 21 CYS HA H 1 4.286 0.017 . 1 . . . A 21 CYS HA . 11525 1 269 . 1 1 21 21 CYS HB2 H 1 2.769 0.004 . 1 . . . A 21 CYS HB2 . 11525 1 270 . 1 1 21 21 CYS HB3 H 1 2.594 0.016 . 1 . . . A 21 CYS HB3 . 11525 1 271 . 1 1 21 21 CYS C C 13 174.676 0.016 . 1 . . . A 21 CYS C . 11525 1 272 . 1 1 21 21 CYS CA C 13 60.517 0.181 . 1 . . . A 21 CYS CA . 11525 1 273 . 1 1 21 21 CYS CB C 13 28.532 0.262 . 1 . . . A 21 CYS CB . 11525 1 274 . 1 1 21 21 CYS N N 15 111.081 0.016 . 1 . . . A 21 CYS N . 11525 1 275 . 1 1 22 22 ALA H H 1 7.423 0.004 . 1 . . . A 22 ALA H . 11525 1 276 . 1 1 22 22 ALA HA H 1 4.258 0.018 . 1 . . . A 22 ALA HA . 11525 1 277 . 1 1 22 22 ALA HB1 H 1 1.547 0.017 . 1 . . . A 22 ALA HB1 . 11525 1 278 . 1 1 22 22 ALA HB2 H 1 1.547 0.017 . 1 . . . A 22 ALA HB2 . 11525 1 279 . 1 1 22 22 ALA HB3 H 1 1.547 0.017 . 1 . . . A 22 ALA HB3 . 11525 1 280 . 1 1 22 22 ALA C C 13 176.169 0.1 . 1 . . . A 22 ALA C . 11525 1 281 . 1 1 22 22 ALA CA C 13 56.332 1.002 . 1 . . . A 22 ALA CA . 11525 1 282 . 1 1 22 22 ALA CB C 13 16.724 0.759 . 1 . . . A 22 ALA CB . 11525 1 283 . 1 1 22 22 ALA N N 15 124.677 0.2 . 1 . . . A 22 ALA N . 11525 1 284 . 1 1 23 23 PRO HA H 1 4.491 0.013 . 1 . . . A 23 PRO HA . 11525 1 285 . 1 1 23 23 PRO HB2 H 1 1.828 0.021 . 1 . . . A 23 PRO HB2 . 11525 1 286 . 1 1 23 23 PRO HB3 H 1 2.446 0.005 . 1 . . . A 23 PRO HB3 . 11525 1 287 . 1 1 23 23 PRO HG2 H 1 2.065 0.012 . 2 . . . A 23 PRO HG2 . 11525 1 288 . 1 1 23 23 PRO HG3 H 1 2.065 0.012 . 2 . . . A 23 PRO HG3 . 11525 1 289 . 1 1 23 23 PRO HD2 H 1 3.707 0.041 . 1 . . . A 23 PRO HD2 . 11525 1 290 . 1 1 23 23 PRO HD3 H 1 3.519 0.032 . 1 . . . A 23 PRO HD3 . 11525 1 291 . 1 1 23 23 PRO C C 13 177.383 0.1 . 1 . . . A 23 PRO C . 11525 1 292 . 1 1 23 23 PRO CA C 13 65.286 0.195 . 1 . . . A 23 PRO CA . 11525 1 293 . 1 1 23 23 PRO CB C 13 31.724 0.36 . 1 . . . A 23 PRO CB . 11525 1 294 . 1 1 23 23 PRO CG C 13 27.920 0.26 . 1 . . . A 23 PRO CG . 11525 1 295 . 1 1 23 23 PRO CD C 13 50.852 0.027 . 1 . . . A 23 PRO CD . 11525 1 296 . 1 1 24 24 VAL H H 1 7.286 0.003 . 1 . . . A 24 VAL H . 11525 1 297 . 1 1 24 24 VAL HA H 1 4.127 0.009 . 1 . . . A 24 VAL HA . 11525 1 298 . 1 1 24 24 VAL HB H 1 1.731 0.009 . 1 . . . A 24 VAL HB . 11525 1 299 . 1 1 24 24 VAL HG11 H 1 0.643 0.008 . 1 . . . A 24 VAL HG11 . 11525 1 300 . 1 1 24 24 VAL HG12 H 1 0.643 0.008 . 1 . . . A 24 VAL HG12 . 11525 1 301 . 1 1 24 24 VAL HG13 H 1 0.643 0.008 . 1 . . . A 24 VAL HG13 . 11525 1 302 . 1 1 24 24 VAL HG21 H 1 0.375 0.007 . 1 . . . A 24 VAL HG21 . 11525 1 303 . 1 1 24 24 VAL HG22 H 1 0.375 0.007 . 1 . . . A 24 VAL HG22 . 11525 1 304 . 1 1 24 24 VAL HG23 H 1 0.375 0.007 . 1 . . . A 24 VAL HG23 . 11525 1 305 . 1 1 24 24 VAL C C 13 176.780 0.1 . 1 . . . A 24 VAL C . 11525 1 306 . 1 1 24 24 VAL CA C 13 60.539 0.179 . 1 . . . A 24 VAL CA . 11525 1 307 . 1 1 24 24 VAL CB C 13 32.468 0.106 . 1 . . . A 24 VAL CB . 11525 1 308 . 1 1 24 24 VAL CG1 C 13 20.894 0.114 . 1 . . . A 24 VAL CG1 . 11525 1 309 . 1 1 24 24 VAL CG2 C 13 18.928 0.16 . 1 . . . A 24 VAL CG2 . 11525 1 310 . 1 1 24 24 VAL N N 15 108.859 0.2 . 1 . . . A 24 VAL N . 11525 1 311 . 1 1 25 25 SER H H 1 7.789 0.005 . 1 . . . A 25 SER H . 11525 1 312 . 1 1 25 25 SER HA H 1 3.805 0.006 . 1 . . . A 25 SER HA . 11525 1 313 . 1 1 25 25 SER HB2 H 1 3.678 0.009 . 2 . . . A 25 SER HB2 . 11525 1 314 . 1 1 25 25 SER HB3 H 1 3.678 0.009 . 2 . . . A 25 SER HB3 . 11525 1 315 . 1 1 25 25 SER C C 13 175.545 0.1 . 1 . . . A 25 SER C . 11525 1 316 . 1 1 25 25 SER CA C 13 61.136 0.104 . 1 . . . A 25 SER CA . 11525 1 317 . 1 1 25 25 SER CB C 13 62.732 0.822 . 1 . . . A 25 SER CB . 11525 1 318 . 1 1 25 25 SER N N 15 118.286 0.2 . 1 . . . A 25 SER N . 11525 1 319 . 1 1 26 26 GLN H H 1 8.605 0.005 . 1 . . . A 26 GLN H . 11525 1 320 . 1 1 26 26 GLN HA H 1 4.098 0.007 . 1 . . . A 26 GLN HA . 11525 1 321 . 1 1 26 26 GLN HB2 H 1 1.872 0.003 . 1 . . . A 26 GLN HB2 . 11525 1 322 . 1 1 26 26 GLN HB3 H 1 1.774 0.011 . 1 . . . A 26 GLN HB3 . 11525 1 323 . 1 1 26 26 GLN HG2 H 1 2.048 0.005 . 2 . . . A 26 GLN HG2 . 11525 1 324 . 1 1 26 26 GLN HG3 H 1 2.048 0.005 . 2 . . . A 26 GLN HG3 . 11525 1 325 . 1 1 26 26 GLN HE21 H 1 7.379 0.002 . 1 . . . A 26 GLN HE21 . 11525 1 326 . 1 1 26 26 GLN HE22 H 1 6.788 0.004 . 1 . . . A 26 GLN HE22 . 11525 1 327 . 1 1 26 26 GLN C C 13 175.830 0.007 . 1 . . . A 26 GLN C . 11525 1 328 . 1 1 26 26 GLN CA C 13 57.455 0.147 . 1 . . . A 26 GLN CA . 11525 1 329 . 1 1 26 26 GLN CB C 13 28.666 0.376 . 1 . . . A 26 GLN CB . 11525 1 330 . 1 1 26 26 GLN CG C 13 33.611 0.1 . 1 . . . A 26 GLN CG . 11525 1 331 . 1 1 26 26 GLN N N 15 119.579 0.007 . 1 . . . A 26 GLN N . 11525 1 332 . 1 1 26 26 GLN NE2 N 15 112.112 0.2 . 1 . . . A 26 GLN NE2 . 11525 1 333 . 1 1 27 27 PHE H H 1 7.303 0.004 . 1 . . . A 27 PHE H . 11525 1 334 . 1 1 27 27 PHE HA H 1 4.785 0.001 . 1 . . . A 27 PHE HA . 11525 1 335 . 1 1 27 27 PHE HB2 H 1 2.990 0.009 . 1 . . . A 27 PHE HB2 . 11525 1 336 . 1 1 27 27 PHE HB3 H 1 3.127 0.016 . 1 . . . A 27 PHE HB3 . 11525 1 337 . 1 1 27 27 PHE HD1 H 1 7.123 0.007 . 3 . . . A 27 PHE HD1 . 11525 1 338 . 1 1 27 27 PHE HD2 H 1 7.123 0.007 . 3 . . . A 27 PHE HD2 . 11525 1 339 . 1 1 27 27 PHE HE1 H 1 7.376 0.006 . 3 . . . A 27 PHE HE1 . 11525 1 340 . 1 1 27 27 PHE HE2 H 1 7.376 0.006 . 3 . . . A 27 PHE HE2 . 11525 1 341 . 1 1 27 27 PHE HZ H 1 7.326 0.02 . 1 . . . A 27 PHE HZ . 11525 1 342 . 1 1 27 27 PHE C C 13 175.553 0.02 . 1 . . . A 27 PHE C . 11525 1 343 . 1 1 27 27 PHE CA C 13 56.544 0.162 . 1 . . . A 27 PHE CA . 11525 1 344 . 1 1 27 27 PHE CB C 13 40.195 0.137 . 1 . . . A 27 PHE CB . 11525 1 345 . 1 1 27 27 PHE CD1 C 13 132.160 0.164 . 3 . . . A 27 PHE CD1 . 11525 1 346 . 1 1 27 27 PHE CD2 C 13 132.160 0.164 . 3 . . . A 27 PHE CD2 . 11525 1 347 . 1 1 27 27 PHE CE1 C 13 131.521 0.612 . 3 . . . A 27 PHE CE1 . 11525 1 348 . 1 1 27 27 PHE CE2 C 13 131.521 0.612 . 3 . . . A 27 PHE CE2 . 11525 1 349 . 1 1 27 27 PHE CZ C 13 130.305 0.1 . 1 . . . A 27 PHE CZ . 11525 1 350 . 1 1 27 27 PHE N N 15 114.464 0.02 . 1 . . . A 27 PHE N . 11525 1 351 . 1 1 28 28 ALA H H 1 7.607 0.004 . 1 . . . A 28 ALA H . 11525 1 352 . 1 1 28 28 ALA HA H 1 4.050 0.006 . 1 . . . A 28 ALA HA . 11525 1 353 . 1 1 28 28 ALA HB1 H 1 0.883 0.011 . 1 . . . A 28 ALA HB1 . 11525 1 354 . 1 1 28 28 ALA HB2 H 1 0.883 0.011 . 1 . . . A 28 ALA HB2 . 11525 1 355 . 1 1 28 28 ALA HB3 H 1 0.883 0.011 . 1 . . . A 28 ALA HB3 . 11525 1 356 . 1 1 28 28 ALA C C 13 177.373 0.027 . 1 . . . A 28 ALA C . 11525 1 357 . 1 1 28 28 ALA CA C 13 52.925 0.179 . 1 . . . A 28 ALA CA . 11525 1 358 . 1 1 28 28 ALA CB C 13 18.739 0.19 . 1 . . . A 28 ALA CB . 11525 1 359 . 1 1 28 28 ALA N N 15 125.099 0.027 . 1 . . . A 28 ALA N . 11525 1 360 . 1 1 29 29 THR H H 1 7.874 0.004 . 1 . . . A 29 THR H . 11525 1 361 . 1 1 29 29 THR HA H 1 4.534 0.028 . 1 . . . A 29 THR HA . 11525 1 362 . 1 1 29 29 THR HB H 1 4.295 0.024 . 1 . . . A 29 THR HB . 11525 1 363 . 1 1 29 29 THR HG21 H 1 1.263 0.017 . 1 . . . A 29 THR HG21 . 11525 1 364 . 1 1 29 29 THR HG22 H 1 1.263 0.017 . 1 . . . A 29 THR HG22 . 11525 1 365 . 1 1 29 29 THR HG23 H 1 1.263 0.017 . 1 . . . A 29 THR HG23 . 11525 1 366 . 1 1 29 29 THR C C 13 174.257 0.019 . 1 . . . A 29 THR C . 11525 1 367 . 1 1 29 29 THR CA C 13 60.834 0.315 . 1 . . . A 29 THR CA . 11525 1 368 . 1 1 29 29 THR CB C 13 70.105 0.254 . 1 . . . A 29 THR CB . 11525 1 369 . 1 1 29 29 THR CG2 C 13 21.709 0.123 . 1 . . . A 29 THR CG2 . 11525 1 370 . 1 1 29 29 THR N N 15 115.725 0.019 . 1 . . . A 29 THR N . 11525 1 371 . 1 1 30 30 LEU H H 1 7.904 0.003 . 1 . . . A 30 LEU H . 11525 1 372 . 1 1 30 30 LEU HA H 1 4.245 0.03 . 1 . . . A 30 LEU HA . 11525 1 373 . 1 1 30 30 LEU HB2 H 1 1.452 0.021 . 1 . . . A 30 LEU HB2 . 11525 1 374 . 1 1 30 30 LEU HB3 H 1 0.858 0.013 . 1 . . . A 30 LEU HB3 . 11525 1 375 . 1 1 30 30 LEU HG H 1 1.032 0.017 . 1 . . . A 30 LEU HG . 11525 1 376 . 1 1 30 30 LEU HD11 H 1 0.133 0.007 . 1 . . . A 30 LEU HD11 . 11525 1 377 . 1 1 30 30 LEU HD12 H 1 0.133 0.007 . 1 . . . A 30 LEU HD12 . 11525 1 378 . 1 1 30 30 LEU HD13 H 1 0.133 0.007 . 1 . . . A 30 LEU HD13 . 11525 1 379 . 1 1 30 30 LEU HD21 H 1 -0.172 0.014 . 1 . . . A 30 LEU HD21 . 11525 1 380 . 1 1 30 30 LEU HD22 H 1 -0.172 0.014 . 1 . . . A 30 LEU HD22 . 11525 1 381 . 1 1 30 30 LEU HD23 H 1 -0.172 0.014 . 1 . . . A 30 LEU HD23 . 11525 1 382 . 1 1 30 30 LEU C C 13 177.812 0.033 . 1 . . . A 30 LEU C . 11525 1 383 . 1 1 30 30 LEU CA C 13 54.608 0.139 . 1 . . . A 30 LEU CA . 11525 1 384 . 1 1 30 30 LEU CB C 13 42.516 0.344 . 1 . . . A 30 LEU CB . 11525 1 385 . 1 1 30 30 LEU CG C 13 26.542 0.293 . 1 . . . A 30 LEU CG . 11525 1 386 . 1 1 30 30 LEU CD1 C 13 24.857 0.084 . 1 . . . A 30 LEU CD1 . 11525 1 387 . 1 1 30 30 LEU CD2 C 13 21.082 0.176 . 1 . . . A 30 LEU CD2 . 11525 1 388 . 1 1 30 30 LEU N N 15 123.147 0.033 . 1 . . . A 30 LEU N . 11525 1 389 . 1 1 31 31 SER H H 1 10.169 0.006 . 1 . . . A 31 SER H . 11525 1 390 . 1 1 31 31 SER HA H 1 4.320 0.02 . 1 . . . A 31 SER HA . 11525 1 391 . 1 1 31 31 SER HB2 H 1 4.249 0.02 . 2 . . . A 31 SER HB2 . 11525 1 392 . 1 1 31 31 SER HB3 H 1 4.249 0.02 . 2 . . . A 31 SER HB3 . 11525 1 393 . 1 1 31 31 SER C C 13 175.936 0.1 . 1 . . . A 31 SER C . 11525 1 394 . 1 1 31 31 SER CA C 13 59.176 0.145 . 1 . . . A 31 SER CA . 11525 1 395 . 1 1 31 31 SER CB C 13 64.493 0.116 . 1 . . . A 31 SER CB . 11525 1 396 . 1 1 31 31 SER N N 15 121.915 0.2 . 1 . . . A 31 SER N . 11525 1 397 . 1 1 32 32 ALA H H 1 8.875 0.003 . 1 . . . A 32 ALA H . 11525 1 398 . 1 1 32 32 ALA HA H 1 4.161 0.011 . 1 . . . A 32 ALA HA . 11525 1 399 . 1 1 32 32 ALA HB1 H 1 1.507 0.006 . 1 . . . A 32 ALA HB1 . 11525 1 400 . 1 1 32 32 ALA HB2 H 1 1.507 0.006 . 1 . . . A 32 ALA HB2 . 11525 1 401 . 1 1 32 32 ALA HB3 H 1 1.507 0.006 . 1 . . . A 32 ALA HB3 . 11525 1 402 . 1 1 32 32 ALA C C 13 178.962 0.03 . 1 . . . A 32 ALA C . 11525 1 403 . 1 1 32 32 ALA CA C 13 54.573 0.151 . 1 . . . A 32 ALA CA . 11525 1 404 . 1 1 32 32 ALA CB C 13 18.769 0.234 . 1 . . . A 32 ALA CB . 11525 1 405 . 1 1 32 32 ALA N N 15 122.432 0.03 . 1 . . . A 32 ALA N . 11525 1 406 . 1 1 33 33 ARG H H 1 7.693 0.003 . 1 . . . A 33 ARG H . 11525 1 407 . 1 1 33 33 ARG HA H 1 4.366 0.015 . 1 . . . A 33 ARG HA . 11525 1 408 . 1 1 33 33 ARG HB2 H 1 1.981 0.01 . 2 . . . A 33 ARG HB2 . 11525 1 409 . 1 1 33 33 ARG HB3 H 1 1.981 0.01 . 2 . . . A 33 ARG HB3 . 11525 1 410 . 1 1 33 33 ARG HG2 H 1 1.660 0.01 . 2 . . . A 33 ARG HG2 . 11525 1 411 . 1 1 33 33 ARG HG3 H 1 1.660 0.01 . 2 . . . A 33 ARG HG3 . 11525 1 412 . 1 1 33 33 ARG HD2 H 1 3.199 0.029 . 2 . . . A 33 ARG HD2 . 11525 1 413 . 1 1 33 33 ARG HD3 H 1 3.199 0.029 . 2 . . . A 33 ARG HD3 . 11525 1 414 . 1 1 33 33 ARG HE H 1 7.284 0.007 . 1 . . . A 33 ARG HE . 11525 1 415 . 1 1 33 33 ARG C C 13 175.828 0.01 . 1 . . . A 33 ARG C . 11525 1 416 . 1 1 33 33 ARG CA C 13 55.566 0.002 . 1 . . . A 33 ARG CA . 11525 1 417 . 1 1 33 33 ARG CB C 13 30.353 0.165 . 1 . . . A 33 ARG CB . 11525 1 418 . 1 1 33 33 ARG CG C 13 27.189 0.1 . 1 . . . A 33 ARG CG . 11525 1 419 . 1 1 33 33 ARG CD C 13 43.279 0.452 . 1 . . . A 33 ARG CD . 11525 1 420 . 1 1 33 33 ARG N N 15 114.160 0.01 . 1 . . . A 33 ARG N . 11525 1 421 . 1 1 33 33 ARG NE N 15 84.552 0.2 . 1 . . . A 33 ARG NE . 11525 1 422 . 1 1 34 34 PHE H H 1 7.459 0.006 . 1 . . . A 34 PHE H . 11525 1 423 . 1 1 34 34 PHE HA H 1 4.202 0.031 . 1 . . . A 34 PHE HA . 11525 1 424 . 1 1 34 34 PHE HB2 H 1 2.806 0.007 . 1 . . . A 34 PHE HB2 . 11525 1 425 . 1 1 34 34 PHE HB3 H 1 3.215 0.015 . 1 . . . A 34 PHE HB3 . 11525 1 426 . 1 1 34 34 PHE HD1 H 1 7.041 0.003 . 3 . . . A 34 PHE HD1 . 11525 1 427 . 1 1 34 34 PHE HD2 H 1 7.041 0.003 . 3 . . . A 34 PHE HD2 . 11525 1 428 . 1 1 34 34 PHE HE1 H 1 6.890 0.016 . 3 . . . A 34 PHE HE1 . 11525 1 429 . 1 1 34 34 PHE HE2 H 1 6.890 0.016 . 3 . . . A 34 PHE HE2 . 11525 1 430 . 1 1 34 34 PHE C C 13 176.040 0.025 . 1 . . . A 34 PHE C . 11525 1 431 . 1 1 34 34 PHE CA C 13 59.465 0.131 . 1 . . . A 34 PHE CA . 11525 1 432 . 1 1 34 34 PHE CB C 13 40.007 0.307 . 1 . . . A 34 PHE CB . 11525 1 433 . 1 1 34 34 PHE CD1 C 13 132.106 0.212 . 3 . . . A 34 PHE CD1 . 11525 1 434 . 1 1 34 34 PHE CD2 C 13 132.106 0.212 . 3 . . . A 34 PHE CD2 . 11525 1 435 . 1 1 34 34 PHE CE1 C 13 130.822 0.1 . 3 . . . A 34 PHE CE1 . 11525 1 436 . 1 1 34 34 PHE CE2 C 13 130.822 0.1 . 3 . . . A 34 PHE CE2 . 11525 1 437 . 1 1 34 34 PHE N N 15 122.867 0.025 . 1 . . . A 34 PHE N . 11525 1 438 . 1 1 35 35 ASP H H 1 7.404 0.008 . 1 . . . A 35 ASP H . 11525 1 439 . 1 1 35 35 ASP HA H 1 4.705 0.011 . 1 . . . A 35 ASP HA . 11525 1 440 . 1 1 35 35 ASP HB2 H 1 2.332 0.006 . 1 . . . A 35 ASP HB2 . 11525 1 441 . 1 1 35 35 ASP HB3 H 1 2.644 0.003 . 1 . . . A 35 ASP HB3 . 11525 1 442 . 1 1 35 35 ASP C C 13 175.061 0.1 . 1 . . . A 35 ASP C . 11525 1 443 . 1 1 35 35 ASP CA C 13 53.258 0.151 . 1 . . . A 35 ASP CA . 11525 1 444 . 1 1 35 35 ASP CB C 13 38.936 0.135 . 1 . . . A 35 ASP CB . 11525 1 445 . 1 1 35 35 ASP N N 15 127.177 0.2 . 1 . . . A 35 ASP N . 11525 1 446 . 1 1 36 36 ARG H H 1 8.220 0.005 . 1 . . . A 36 ARG H . 11525 1 447 . 1 1 36 36 ARG HA H 1 4.120 0.014 . 1 . . . A 36 ARG HA . 11525 1 448 . 1 1 36 36 ARG HB2 H 1 2.056 0.005 . 2 . . . A 36 ARG HB2 . 11525 1 449 . 1 1 36 36 ARG HB3 H 1 2.056 0.005 . 2 . . . A 36 ARG HB3 . 11525 1 450 . 1 1 36 36 ARG HG2 H 1 1.850 0.038 . 2 . . . A 36 ARG HG2 . 11525 1 451 . 1 1 36 36 ARG HG3 H 1 1.850 0.038 . 2 . . . A 36 ARG HG3 . 11525 1 452 . 1 1 36 36 ARG HD2 H 1 3.290 0.01 . 2 . . . A 36 ARG HD2 . 11525 1 453 . 1 1 36 36 ARG HD3 H 1 3.290 0.01 . 2 . . . A 36 ARG HD3 . 11525 1 454 . 1 1 36 36 ARG HE H 1 7.529 0.004 . 1 . . . A 36 ARG HE . 11525 1 455 . 1 1 36 36 ARG C C 13 178.613 0.1 . 1 . . . A 36 ARG C . 11525 1 456 . 1 1 36 36 ARG CA C 13 58.431 0.067 . 1 . . . A 36 ARG CA . 11525 1 457 . 1 1 36 36 ARG CB C 13 30.380 0.048 . 1 . . . A 36 ARG CB . 11525 1 458 . 1 1 36 36 ARG CG C 13 28.247 0.495 . 1 . . . A 36 ARG CG . 11525 1 459 . 1 1 36 36 ARG CD C 13 43.208 0.074 . 1 . . . A 36 ARG CD . 11525 1 460 . 1 1 36 36 ARG N N 15 124.302 0.2 . 1 . . . A 36 ARG N . 11525 1 461 . 1 1 36 36 ARG NE N 15 85.088 0.2 . 1 . . . A 36 ARG NE . 11525 1 462 . 1 1 37 37 HIS H H 1 8.495 0.008 . 1 . . . A 37 HIS H . 11525 1 463 . 1 1 37 37 HIS HA H 1 4.654 0.015 . 1 . . . A 37 HIS HA . 11525 1 464 . 1 1 37 37 HIS HB2 H 1 3.324 0.012 . 1 . . . A 37 HIS HB2 . 11525 1 465 . 1 1 37 37 HIS HB3 H 1 3.456 0.008 . 1 . . . A 37 HIS HB3 . 11525 1 466 . 1 1 37 37 HIS HD2 H 1 7.306 0.006 . 1 . . . A 37 HIS HD2 . 11525 1 467 . 1 1 37 37 HIS C C 13 175.626 0.1 . 1 . . . A 37 HIS C . 11525 1 468 . 1 1 37 37 HIS CA C 13 57.447 0.143 . 1 . . . A 37 HIS CA . 11525 1 469 . 1 1 37 37 HIS CB C 13 28.026 0.121 . 1 . . . A 37 HIS CB . 11525 1 470 . 1 1 37 37 HIS CD2 C 13 120.147 0.17 . 1 . . . A 37 HIS CD2 . 11525 1 471 . 1 1 37 37 HIS N N 15 115.311 0.2 . 1 . . . A 37 HIS N . 11525 1 472 . 1 1 38 38 LEU H H 1 7.106 0.007 . 1 . . . A 38 LEU H . 11525 1 473 . 1 1 38 38 LEU HA H 1 4.002 0.007 . 1 . . . A 38 LEU HA . 11525 1 474 . 1 1 38 38 LEU HB2 H 1 1.567 0.005 . 1 . . . A 38 LEU HB2 . 11525 1 475 . 1 1 38 38 LEU HB3 H 1 0.905 0.015 . 1 . . . A 38 LEU HB3 . 11525 1 476 . 1 1 38 38 LEU HG H 1 1.113 0.013 . 1 . . . A 38 LEU HG . 11525 1 477 . 1 1 38 38 LEU HD11 H 1 0.666 0.015 . 1 . . . A 38 LEU HD11 . 11525 1 478 . 1 1 38 38 LEU HD12 H 1 0.666 0.015 . 1 . . . A 38 LEU HD12 . 11525 1 479 . 1 1 38 38 LEU HD13 H 1 0.666 0.015 . 1 . . . A 38 LEU HD13 . 11525 1 480 . 1 1 38 38 LEU HD21 H 1 0.606 0.034 . 1 . . . A 38 LEU HD21 . 11525 1 481 . 1 1 38 38 LEU HD22 H 1 0.606 0.034 . 1 . . . A 38 LEU HD22 . 11525 1 482 . 1 1 38 38 LEU HD23 H 1 0.606 0.034 . 1 . . . A 38 LEU HD23 . 11525 1 483 . 1 1 38 38 LEU C C 13 174.592 0.1 . 1 . . . A 38 LEU C . 11525 1 484 . 1 1 38 38 LEU CA C 13 55.227 0.239 . 1 . . . A 38 LEU CA . 11525 1 485 . 1 1 38 38 LEU CB C 13 43.621 0.989 . 1 . . . A 38 LEU CB . 11525 1 486 . 1 1 38 38 LEU CG C 13 26.488 0.192 . 1 . . . A 38 LEU CG . 11525 1 487 . 1 1 38 38 LEU CD1 C 13 26.736 0.316 . 1 . . . A 38 LEU CD1 . 11525 1 488 . 1 1 38 38 LEU CD2 C 13 22.758 0.106 . 1 . . . A 38 LEU CD2 . 11525 1 489 . 1 1 38 38 LEU N N 15 118.178 0.2 . 1 . . . A 38 LEU N . 11525 1 490 . 1 1 39 39 PHE H H 1 7.743 0.006 . 1 . . . A 39 PHE H . 11525 1 491 . 1 1 39 39 PHE HA H 1 4.999 0.006 . 1 . . . A 39 PHE HA . 11525 1 492 . 1 1 39 39 PHE HB2 H 1 2.881 0.006 . 1 . . . A 39 PHE HB2 . 11525 1 493 . 1 1 39 39 PHE HB3 H 1 3.441 0.014 . 1 . . . A 39 PHE HB3 . 11525 1 494 . 1 1 39 39 PHE HD1 H 1 7.273 0.02 . 3 . . . A 39 PHE HD1 . 11525 1 495 . 1 1 39 39 PHE HD2 H 1 7.273 0.02 . 3 . . . A 39 PHE HD2 . 11525 1 496 . 1 1 39 39 PHE HE1 H 1 7.209 0.027 . 3 . . . A 39 PHE HE1 . 11525 1 497 . 1 1 39 39 PHE HE2 H 1 7.209 0.027 . 3 . . . A 39 PHE HE2 . 11525 1 498 . 1 1 39 39 PHE HZ H 1 7.369 0.017 . 1 . . . A 39 PHE HZ . 11525 1 499 . 1 1 39 39 PHE C C 13 175.198 0.1 . 1 . . . A 39 PHE C . 11525 1 500 . 1 1 39 39 PHE CA C 13 56.409 0.085 . 1 . . . A 39 PHE CA . 11525 1 501 . 1 1 39 39 PHE CB C 13 42.636 0.21 . 1 . . . A 39 PHE CB . 11525 1 502 . 1 1 39 39 PHE CD1 C 13 133.460 0.1 . 3 . . . A 39 PHE CD1 . 11525 1 503 . 1 1 39 39 PHE CD2 C 13 133.460 0.1 . 3 . . . A 39 PHE CD2 . 11525 1 504 . 1 1 39 39 PHE CE1 C 13 131.948 0.1 . 3 . . . A 39 PHE CE1 . 11525 1 505 . 1 1 39 39 PHE CE2 C 13 131.948 0.1 . 3 . . . A 39 PHE CE2 . 11525 1 506 . 1 1 39 39 PHE CZ C 13 128.181 0.1 . 1 . . . A 39 PHE CZ . 11525 1 507 . 1 1 39 39 PHE N N 15 116.921 0.2 . 1 . . . A 39 PHE N . 11525 1 508 . 1 1 40 40 GLN H H 1 11.230 0.009 . 1 . . . A 40 GLN H . 11525 1 509 . 1 1 40 40 GLN HA H 1 4.355 0.004 . 1 . . . A 40 GLN HA . 11525 1 510 . 1 1 40 40 GLN HB2 H 1 2.289 0.014 . 1 . . . A 40 GLN HB2 . 11525 1 511 . 1 1 40 40 GLN HB3 H 1 2.143 0.017 . 1 . . . A 40 GLN HB3 . 11525 1 512 . 1 1 40 40 GLN HG2 H 1 2.546 0.014 . 2 . . . A 40 GLN HG2 . 11525 1 513 . 1 1 40 40 GLN HG3 H 1 2.546 0.014 . 2 . . . A 40 GLN HG3 . 11525 1 514 . 1 1 40 40 GLN HE21 H 1 7.584 0.02 . 1 . . . A 40 GLN HE21 . 11525 1 515 . 1 1 40 40 GLN HE22 H 1 6.905 0.02 . 1 . . . A 40 GLN HE22 . 11525 1 516 . 1 1 40 40 GLN C C 13 179.204 0.1 . 1 . . . A 40 GLN C . 11525 1 517 . 1 1 40 40 GLN CA C 13 56.720 0.155 . 1 . . . A 40 GLN CA . 11525 1 518 . 1 1 40 40 GLN CB C 13 29.673 0.266 . 1 . . . A 40 GLN CB . 11525 1 519 . 1 1 40 40 GLN CG C 13 34.505 0.003 . 1 . . . A 40 GLN CG . 11525 1 520 . 1 1 40 40 GLN N N 15 124.319 0.2 . 1 . . . A 40 GLN N . 11525 1 521 . 1 1 40 40 GLN NE2 N 15 112.750 0.2 . 1 . . . A 40 GLN NE2 . 11525 1 522 . 1 1 41 41 THR H H 1 9.098 0.005 . 1 . . . A 41 THR H . 11525 1 523 . 1 1 41 41 THR HA H 1 4.128 0.009 . 1 . . . A 41 THR HA . 11525 1 524 . 1 1 41 41 THR HB H 1 4.308 0.011 . 1 . . . A 41 THR HB . 11525 1 525 . 1 1 41 41 THR HG21 H 1 1.286 0.015 . 1 . . . A 41 THR HG21 . 11525 1 526 . 1 1 41 41 THR HG22 H 1 1.286 0.015 . 1 . . . A 41 THR HG22 . 11525 1 527 . 1 1 41 41 THR HG23 H 1 1.286 0.015 . 1 . . . A 41 THR HG23 . 11525 1 528 . 1 1 41 41 THR C C 13 175.095 0.1 . 1 . . . A 41 THR C . 11525 1 529 . 1 1 41 41 THR CA C 13 64.166 0.455 . 1 . . . A 41 THR CA . 11525 1 530 . 1 1 41 41 THR CB C 13 69.106 0.188 . 1 . . . A 41 THR CB . 11525 1 531 . 1 1 41 41 THR CG2 C 13 21.530 0.178 . 1 . . . A 41 THR CG2 . 11525 1 532 . 1 1 41 41 THR N N 15 116.857 0.2 . 1 . . . A 41 THR N . 11525 1 533 . 1 1 42 42 ARG H H 1 8.132 0.007 . 1 . . . A 42 ARG H . 11525 1 534 . 1 1 42 42 ARG HA H 1 4.347 0.002 . 1 . . . A 42 ARG HA . 11525 1 535 . 1 1 42 42 ARG HB2 H 1 1.938 0.02 . 2 . . . A 42 ARG HB2 . 11525 1 536 . 1 1 42 42 ARG HB3 H 1 1.938 0.02 . 2 . . . A 42 ARG HB3 . 11525 1 537 . 1 1 42 42 ARG HG2 H 1 1.661 0.007 . 2 . . . A 42 ARG HG2 . 11525 1 538 . 1 1 42 42 ARG HG3 H 1 1.661 0.007 . 2 . . . A 42 ARG HG3 . 11525 1 539 . 1 1 42 42 ARG HD2 H 1 3.167 0.02 . 2 . . . A 42 ARG HD2 . 11525 1 540 . 1 1 42 42 ARG HD3 H 1 3.167 0.02 . 2 . . . A 42 ARG HD3 . 11525 1 541 . 1 1 42 42 ARG HE H 1 7.415 0.02 . 1 . . . A 42 ARG HE . 11525 1 542 . 1 1 42 42 ARG C C 13 176.166 0.1 . 1 . . . A 42 ARG C . 11525 1 543 . 1 1 42 42 ARG CA C 13 55.939 0.035 . 1 . . . A 42 ARG CA . 11525 1 544 . 1 1 42 42 ARG CB C 13 29.293 0.042 . 1 . . . A 42 ARG CB . 11525 1 545 . 1 1 42 42 ARG CG C 13 27.007 0.076 . 1 . . . A 42 ARG CG . 11525 1 546 . 1 1 42 42 ARG CD C 13 43.434 0.122 . 1 . . . A 42 ARG CD . 11525 1 547 . 1 1 42 42 ARG N N 15 119.617 0.2 . 1 . . . A 42 ARG N . 11525 1 548 . 1 1 42 42 ARG NE N 15 84.610 0.2 . 1 . . . A 42 ARG NE . 11525 1 549 . 1 1 43 43 ALA H H 1 7.891 0.006 . 1 . . . A 43 ALA H . 11525 1 550 . 1 1 43 43 ALA HA H 1 4.335 0.013 . 1 . . . A 43 ALA HA . 11525 1 551 . 1 1 43 43 ALA HB1 H 1 1.432 0.003 . 1 . . . A 43 ALA HB1 . 11525 1 552 . 1 1 43 43 ALA HB2 H 1 1.432 0.003 . 1 . . . A 43 ALA HB2 . 11525 1 553 . 1 1 43 43 ALA HB3 H 1 1.432 0.003 . 1 . . . A 43 ALA HB3 . 11525 1 554 . 1 1 43 43 ALA C C 13 176.446 0.1 . 1 . . . A 43 ALA C . 11525 1 555 . 1 1 43 43 ALA CA C 13 52.099 0.233 . 1 . . . A 43 ALA CA . 11525 1 556 . 1 1 43 43 ALA CB C 13 18.971 0.118 . 1 . . . A 43 ALA CB . 11525 1 557 . 1 1 43 43 ALA N N 15 125.770 0.2 . 1 . . . A 43 ALA N . 11525 1 558 . 1 1 44 44 THR H H 1 8.147 0.003 . 1 . . . A 44 THR H . 11525 1 559 . 1 1 44 44 THR HA H 1 4.319 0.012 . 1 . . . A 44 THR HA . 11525 1 560 . 1 1 44 44 THR HB H 1 4.523 0.016 . 1 . . . A 44 THR HB . 11525 1 561 . 1 1 44 44 THR HG21 H 1 1.186 0.019 . 1 . . . A 44 THR HG21 . 11525 1 562 . 1 1 44 44 THR HG22 H 1 1.186 0.019 . 1 . . . A 44 THR HG22 . 11525 1 563 . 1 1 44 44 THR HG23 H 1 1.186 0.019 . 1 . . . A 44 THR HG23 . 11525 1 564 . 1 1 44 44 THR C C 13 174.379 0.1 . 1 . . . A 44 THR C . 11525 1 565 . 1 1 44 44 THR CA C 13 61.485 0.11 . 1 . . . A 44 THR CA . 11525 1 566 . 1 1 44 44 THR CB C 13 69.415 0.155 . 1 . . . A 44 THR CB . 11525 1 567 . 1 1 44 44 THR CG2 C 13 21.825 0.082 . 1 . . . A 44 THR CG2 . 11525 1 568 . 1 1 44 44 THR N N 15 109.193 0.2 . 1 . . . A 44 THR N . 11525 1 569 . 1 1 45 45 THR H H 1 7.079 0.006 . 1 . . . A 45 THR H . 11525 1 570 . 1 1 45 45 THR HA H 1 4.745 0.016 . 1 . . . A 45 THR HA . 11525 1 571 . 1 1 45 45 THR HB H 1 4.497 0.01 . 1 . . . A 45 THR HB . 11525 1 572 . 1 1 45 45 THR HG21 H 1 1.108 0.009 . 1 . . . A 45 THR HG21 . 11525 1 573 . 1 1 45 45 THR HG22 H 1 1.108 0.009 . 1 . . . A 45 THR HG22 . 11525 1 574 . 1 1 45 45 THR HG23 H 1 1.108 0.009 . 1 . . . A 45 THR HG23 . 11525 1 575 . 1 1 45 45 THR C C 13 174.603 0.1 . 1 . . . A 45 THR C . 11525 1 576 . 1 1 45 45 THR CA C 13 58.464 0.202 . 1 . . . A 45 THR CA . 11525 1 577 . 1 1 45 45 THR CB C 13 72.506 0.145 . 1 . . . A 45 THR CB . 11525 1 578 . 1 1 45 45 THR CG2 C 13 21.541 0.192 . 1 . . . A 45 THR CG2 . 11525 1 579 . 1 1 45 45 THR N N 15 108.529 0.2 . 1 . . . A 45 THR N . 11525 1 580 . 1 1 46 46 LEU H H 1 8.581 0.008 . 1 . . . A 46 LEU H . 11525 1 581 . 1 1 46 46 LEU HA H 1 3.709 0.009 . 1 . . . A 46 LEU HA . 11525 1 582 . 1 1 46 46 LEU HB2 H 1 1.464 0.015 . 2 . . . A 46 LEU HB2 . 11525 1 583 . 1 1 46 46 LEU HB3 H 1 1.464 0.015 . 2 . . . A 46 LEU HB3 . 11525 1 584 . 1 1 46 46 LEU HG H 1 1.514 0.012 . 1 . . . A 46 LEU HG . 11525 1 585 . 1 1 46 46 LEU HD11 H 1 0.836 0.051 . 1 . . . A 46 LEU HD11 . 11525 1 586 . 1 1 46 46 LEU HD12 H 1 0.836 0.051 . 1 . . . A 46 LEU HD12 . 11525 1 587 . 1 1 46 46 LEU HD13 H 1 0.836 0.051 . 1 . . . A 46 LEU HD13 . 11525 1 588 . 1 1 46 46 LEU HD21 H 1 0.747 0.01 . 1 . . . A 46 LEU HD21 . 11525 1 589 . 1 1 46 46 LEU HD22 H 1 0.747 0.01 . 1 . . . A 46 LEU HD22 . 11525 1 590 . 1 1 46 46 LEU HD23 H 1 0.747 0.01 . 1 . . . A 46 LEU HD23 . 11525 1 591 . 1 1 46 46 LEU C C 13 178.917 0.1 . 1 . . . A 46 LEU C . 11525 1 592 . 1 1 46 46 LEU CA C 13 58.095 0.074 . 1 . . . A 46 LEU CA . 11525 1 593 . 1 1 46 46 LEU CB C 13 42.026 0.371 . 1 . . . A 46 LEU CB . 11525 1 594 . 1 1 46 46 LEU CG C 13 27.379 0.074 . 1 . . . A 46 LEU CG . 11525 1 595 . 1 1 46 46 LEU CD1 C 13 23.529 0.1 . 1 . . . A 46 LEU CD1 . 11525 1 596 . 1 1 46 46 LEU CD2 C 13 23.956 0.283 . 1 . . . A 46 LEU CD2 . 11525 1 597 . 1 1 46 46 LEU N N 15 122.406 0.2 . 1 . . . A 46 LEU N . 11525 1 598 . 1 1 47 47 GLN H H 1 8.550 0.004 . 1 . . . A 47 GLN H . 11525 1 599 . 1 1 47 47 GLN HA H 1 3.716 0.003 . 1 . . . A 47 GLN HA . 11525 1 600 . 1 1 47 47 GLN HB2 H 1 2.027 0.009 . 1 . . . A 47 GLN HB2 . 11525 1 601 . 1 1 47 47 GLN HB3 H 1 1.808 0.011 . 1 . . . A 47 GLN HB3 . 11525 1 602 . 1 1 47 47 GLN HG2 H 1 2.313 0.011 . 1 . . . A 47 GLN HG2 . 11525 1 603 . 1 1 47 47 GLN HG3 H 1 2.196 0.004 . 1 . . . A 47 GLN HG3 . 11525 1 604 . 1 1 47 47 GLN HE21 H 1 7.651 0.001 . 1 . . . A 47 GLN HE21 . 11525 1 605 . 1 1 47 47 GLN HE22 H 1 6.760 0.006 . 1 . . . A 47 GLN HE22 . 11525 1 606 . 1 1 47 47 GLN C C 13 176.883 0.1 . 1 . . . A 47 GLN C . 11525 1 607 . 1 1 47 47 GLN CA C 13 58.890 0.256 . 1 . . . A 47 GLN CA . 11525 1 608 . 1 1 47 47 GLN CB C 13 28.416 0.266 . 1 . . . A 47 GLN CB . 11525 1 609 . 1 1 47 47 GLN CG C 13 32.993 0.1 . 1 . . . A 47 GLN CG . 11525 1 610 . 1 1 47 47 GLN N N 15 117.806 0.2 . 1 . . . A 47 GLN N . 11525 1 611 . 1 1 47 47 GLN NE2 N 15 114.539 0.2 . 1 . . . A 47 GLN NE2 . 11525 1 612 . 1 1 48 48 ALA H H 1 7.737 0.004 . 1 . . . A 48 ALA H . 11525 1 613 . 1 1 48 48 ALA HA H 1 4.260 0.014 . 1 . . . A 48 ALA HA . 11525 1 614 . 1 1 48 48 ALA HB1 H 1 1.546 0.005 . 1 . . . A 48 ALA HB1 . 11525 1 615 . 1 1 48 48 ALA HB2 H 1 1.546 0.005 . 1 . . . A 48 ALA HB2 . 11525 1 616 . 1 1 48 48 ALA HB3 H 1 1.546 0.005 . 1 . . . A 48 ALA HB3 . 11525 1 617 . 1 1 48 48 ALA C C 13 181.511 0.1 . 1 . . . A 48 ALA C . 11525 1 618 . 1 1 48 48 ALA CA C 13 55.041 0.155 . 1 . . . A 48 ALA CA . 11525 1 619 . 1 1 48 48 ALA CB C 13 19.538 0.045 . 1 . . . A 48 ALA CB . 11525 1 620 . 1 1 48 48 ALA N N 15 120.120 0.2 . 1 . . . A 48 ALA N . 11525 1 621 . 1 1 49 49 CYS H H 1 7.462 0.006 . 1 . . . A 49 CYS H . 11525 1 622 . 1 1 49 49 CYS HA H 1 3.951 0.015 . 1 . . . A 49 CYS HA . 11525 1 623 . 1 1 49 49 CYS HB2 H 1 2.753 0.01 . 1 . . . A 49 CYS HB2 . 11525 1 624 . 1 1 49 49 CYS HB3 H 1 1.971 0.026 . 1 . . . A 49 CYS HB3 . 11525 1 625 . 1 1 49 49 CYS C C 13 176.652 0.1 . 1 . . . A 49 CYS C . 11525 1 626 . 1 1 49 49 CYS CA C 13 63.721 0.201 . 1 . . . A 49 CYS CA . 11525 1 627 . 1 1 49 49 CYS CB C 13 26.861 0.114 . 1 . . . A 49 CYS CB . 11525 1 628 . 1 1 49 49 CYS N N 15 118.324 0.2 . 1 . . . A 49 CYS N . 11525 1 629 . 1 1 50 50 LEU H H 1 8.178 0.014 . 1 . . . A 50 LEU H . 11525 1 630 . 1 1 50 50 LEU HA H 1 3.835 0.021 . 1 . . . A 50 LEU HA . 11525 1 631 . 1 1 50 50 LEU HB2 H 1 2.015 0.01 . 1 . . . A 50 LEU HB2 . 11525 1 632 . 1 1 50 50 LEU HB3 H 1 1.337 0.004 . 1 . . . A 50 LEU HB3 . 11525 1 633 . 1 1 50 50 LEU HG H 1 1.692 0.02 . 1 . . . A 50 LEU HG . 11525 1 634 . 1 1 50 50 LEU HD11 H 1 0.807 0.009 . 1 . . . A 50 LEU HD11 . 11525 1 635 . 1 1 50 50 LEU HD12 H 1 0.807 0.009 . 1 . . . A 50 LEU HD12 . 11525 1 636 . 1 1 50 50 LEU HD13 H 1 0.807 0.009 . 1 . . . A 50 LEU HD13 . 11525 1 637 . 1 1 50 50 LEU HD21 H 1 0.945 0.006 . 1 . . . A 50 LEU HD21 . 11525 1 638 . 1 1 50 50 LEU HD22 H 1 0.945 0.006 . 1 . . . A 50 LEU HD22 . 11525 1 639 . 1 1 50 50 LEU HD23 H 1 0.945 0.006 . 1 . . . A 50 LEU HD23 . 11525 1 640 . 1 1 50 50 LEU C C 13 179.303 0.1 . 1 . . . A 50 LEU C . 11525 1 641 . 1 1 50 50 LEU CA C 13 58.343 0.06 . 1 . . . A 50 LEU CA . 11525 1 642 . 1 1 50 50 LEU CB C 13 42.100 0.165 . 1 . . . A 50 LEU CB . 11525 1 643 . 1 1 50 50 LEU CG C 13 29.283 0.1 . 1 . . . A 50 LEU CG . 11525 1 644 . 1 1 50 50 LEU CD1 C 13 26.128 0.1 . 1 . . . A 50 LEU CD1 . 11525 1 645 . 1 1 50 50 LEU CD2 C 13 24.048 0.1 . 1 . . . A 50 LEU CD2 . 11525 1 646 . 1 1 50 50 LEU N N 15 121.893 0.2 . 1 . . . A 50 LEU N . 11525 1 647 . 1 1 51 51 ASP H H 1 8.551 0.008 . 1 . . . A 51 ASP H . 11525 1 648 . 1 1 51 51 ASP HA H 1 4.460 0.005 . 1 . . . A 51 ASP HA . 11525 1 649 . 1 1 51 51 ASP HB2 H 1 2.750 0.019 . 2 . . . A 51 ASP HB2 . 11525 1 650 . 1 1 51 51 ASP HB3 H 1 2.750 0.019 . 2 . . . A 51 ASP HB3 . 11525 1 651 . 1 1 51 51 ASP C C 13 178.671 0.1 . 1 . . . A 51 ASP C . 11525 1 652 . 1 1 51 51 ASP CA C 13 57.274 0.27 . 1 . . . A 51 ASP CA . 11525 1 653 . 1 1 51 51 ASP CB C 13 39.648 0.197 . 1 . . . A 51 ASP CB . 11525 1 654 . 1 1 51 51 ASP N N 15 120.471 0.2 . 1 . . . A 51 ASP N . 11525 1 655 . 1 1 52 52 GLU H H 1 7.977 0.003 . 1 . . . A 52 GLU H . 11525 1 656 . 1 1 52 52 GLU HA H 1 4.214 0.014 . 1 . . . A 52 GLU HA . 11525 1 657 . 1 1 52 52 GLU HB2 H 1 2.367 0.01 . 1 . . . A 52 GLU HB2 . 11525 1 658 . 1 1 52 52 GLU HB3 H 1 2.506 0.004 . 1 . . . A 52 GLU HB3 . 11525 1 659 . 1 1 52 52 GLU HG2 H 1 2.728 0.018 . 2 . . . A 52 GLU HG2 . 11525 1 660 . 1 1 52 52 GLU HG3 H 1 2.728 0.018 . 2 . . . A 52 GLU HG3 . 11525 1 661 . 1 1 52 52 GLU C C 13 178.849 0.1 . 1 . . . A 52 GLU C . 11525 1 662 . 1 1 52 52 GLU CA C 13 59.894 0.124 . 1 . . . A 52 GLU CA . 11525 1 663 . 1 1 52 52 GLU CB C 13 29.312 0.129 . 1 . . . A 52 GLU CB . 11525 1 664 . 1 1 52 52 GLU CG C 13 37.132 0.164 . 1 . . . A 52 GLU CG . 11525 1 665 . 1 1 52 52 GLU N N 15 123.187 0.2 . 1 . . . A 52 GLU N . 11525 1 666 . 1 1 53 53 ALA H H 1 8.509 0.006 . 1 . . . A 53 ALA H . 11525 1 667 . 1 1 53 53 ALA HA H 1 4.349 0.011 . 1 . . . A 53 ALA HA . 11525 1 668 . 1 1 53 53 ALA HB1 H 1 1.474 0.014 . 1 . . . A 53 ALA HB1 . 11525 1 669 . 1 1 53 53 ALA HB2 H 1 1.474 0.014 . 1 . . . A 53 ALA HB2 . 11525 1 670 . 1 1 53 53 ALA HB3 H 1 1.474 0.014 . 1 . . . A 53 ALA HB3 . 11525 1 671 . 1 1 53 53 ALA C C 13 180.143 0.021 . 1 . . . A 53 ALA C . 11525 1 672 . 1 1 53 53 ALA CA C 13 55.526 0.195 . 1 . . . A 53 ALA CA . 11525 1 673 . 1 1 53 53 ALA CB C 13 17.766 0.083 . 1 . . . A 53 ALA CB . 11525 1 674 . 1 1 53 53 ALA N N 15 122.739 0.021 . 1 . . . A 53 ALA N . 11525 1 675 . 1 1 54 54 GLY H H 1 8.605 0.004 . 1 . . . A 54 GLY H . 11525 1 676 . 1 1 54 54 GLY HA2 H 1 4.049 0.004 . 1 . . . A 54 GLY HA2 . 11525 1 677 . 1 1 54 54 GLY HA3 H 1 3.719 0.006 . 1 . . . A 54 GLY HA3 . 11525 1 678 . 1 1 54 54 GLY C C 13 177.212 0.004 . 1 . . . A 54 GLY C . 11525 1 679 . 1 1 54 54 GLY CA C 13 47.713 0.124 . 1 . . . A 54 GLY CA . 11525 1 680 . 1 1 54 54 GLY N N 15 105.546 0.004 . 1 . . . A 54 GLY N . 11525 1 681 . 1 1 55 55 ASP H H 1 8.348 0.004 . 1 . . . A 55 ASP H . 11525 1 682 . 1 1 55 55 ASP HA H 1 4.584 0.007 . 1 . . . A 55 ASP HA . 11525 1 683 . 1 1 55 55 ASP HB2 H 1 2.762 0.003 . 1 . . . A 55 ASP HB2 . 11525 1 684 . 1 1 55 55 ASP HB3 H 1 3.090 0.007 . 1 . . . A 55 ASP HB3 . 11525 1 685 . 1 1 55 55 ASP C C 13 179.849 0.033 . 1 . . . A 55 ASP C . 11525 1 686 . 1 1 55 55 ASP CA C 13 57.500 0.203 . 1 . . . A 55 ASP CA . 11525 1 687 . 1 1 55 55 ASP CB C 13 39.802 0.192 . 1 . . . A 55 ASP CB . 11525 1 688 . 1 1 55 55 ASP N N 15 126.113 0.033 . 1 . . . A 55 ASP N . 11525 1 689 . 1 1 56 56 ASN H H 1 8.580 0.006 . 1 . . . A 56 ASN H . 11525 1 690 . 1 1 56 56 ASN HA H 1 4.823 0.013 . 1 . . . A 56 ASN HA . 11525 1 691 . 1 1 56 56 ASN HB2 H 1 2.556 0.008 . 1 . . . A 56 ASN HB2 . 11525 1 692 . 1 1 56 56 ASN HB3 H 1 3.177 0.009 . 1 . . . A 56 ASN HB3 . 11525 1 693 . 1 1 56 56 ASN HD21 H 1 7.788 0.009 . 1 . . . A 56 ASN HD21 . 11525 1 694 . 1 1 56 56 ASN HD22 H 1 8.021 0.015 . 1 . . . A 56 ASN HD22 . 11525 1 695 . 1 1 56 56 ASN C C 13 177.510 0.1 . 1 . . . A 56 ASN C . 11525 1 696 . 1 1 56 56 ASN CA C 13 55.777 0.02 . 1 . . . A 56 ASN CA . 11525 1 697 . 1 1 56 56 ASN CB C 13 38.420 0.19 . 1 . . . A 56 ASN CB . 11525 1 698 . 1 1 56 56 ASN N N 15 121.663 0.2 . 1 . . . A 56 ASN N . 11525 1 699 . 1 1 56 56 ASN ND2 N 15 112.677 0.2 . 1 . . . A 56 ASN ND2 . 11525 1 700 . 1 1 57 57 LEU H H 1 8.852 0.004 . 1 . . . A 57 LEU H . 11525 1 701 . 1 1 57 57 LEU HA H 1 4.100 0.005 . 1 . . . A 57 LEU HA . 11525 1 702 . 1 1 57 57 LEU HB2 H 1 2.189 0.004 . 1 . . . A 57 LEU HB2 . 11525 1 703 . 1 1 57 57 LEU HB3 H 1 1.533 0.021 . 1 . . . A 57 LEU HB3 . 11525 1 704 . 1 1 57 57 LEU HG H 1 1.677 0.013 . 1 . . . A 57 LEU HG . 11525 1 705 . 1 1 57 57 LEU HD11 H 1 0.911 0.018 . 1 . . . A 57 LEU HD11 . 11525 1 706 . 1 1 57 57 LEU HD12 H 1 0.911 0.018 . 1 . . . A 57 LEU HD12 . 11525 1 707 . 1 1 57 57 LEU HD13 H 1 0.911 0.018 . 1 . . . A 57 LEU HD13 . 11525 1 708 . 1 1 57 57 LEU HD21 H 1 0.915 0.007 . 1 . . . A 57 LEU HD21 . 11525 1 709 . 1 1 57 57 LEU HD22 H 1 0.915 0.007 . 1 . . . A 57 LEU HD22 . 11525 1 710 . 1 1 57 57 LEU HD23 H 1 0.915 0.007 . 1 . . . A 57 LEU HD23 . 11525 1 711 . 1 1 57 57 LEU C C 13 178.132 0.1 . 1 . . . A 57 LEU C . 11525 1 712 . 1 1 57 57 LEU CA C 13 58.152 0.13 . 1 . . . A 57 LEU CA . 11525 1 713 . 1 1 57 57 LEU CB C 13 40.968 0.145 . 1 . . . A 57 LEU CB . 11525 1 714 . 1 1 57 57 LEU CG C 13 27.394 0.025 . 1 . . . A 57 LEU CG . 11525 1 715 . 1 1 57 57 LEU CD1 C 13 23.436 0.544 . 1 . . . A 57 LEU CD1 . 11525 1 716 . 1 1 57 57 LEU CD2 C 13 28.118 0.1 . 1 . . . A 57 LEU CD2 . 11525 1 717 . 1 1 57 57 LEU N N 15 124.310 0.2 . 1 . . . A 57 LEU N . 11525 1 718 . 1 1 58 58 ALA H H 1 7.977 0.012 . 1 . . . A 58 ALA H . 11525 1 719 . 1 1 58 58 ALA HA H 1 4.093 0.007 . 1 . . . A 58 ALA HA . 11525 1 720 . 1 1 58 58 ALA HB1 H 1 1.581 0.006 . 1 . . . A 58 ALA HB1 . 11525 1 721 . 1 1 58 58 ALA HB2 H 1 1.581 0.006 . 1 . . . A 58 ALA HB2 . 11525 1 722 . 1 1 58 58 ALA HB3 H 1 1.581 0.006 . 1 . . . A 58 ALA HB3 . 11525 1 723 . 1 1 58 58 ALA C C 13 180.785 0.054 . 1 . . . A 58 ALA C . 11525 1 724 . 1 1 58 58 ALA CA C 13 55.365 0.277 . 1 . . . A 58 ALA CA . 11525 1 725 . 1 1 58 58 ALA CB C 13 17.930 0.156 . 1 . . . A 58 ALA CB . 11525 1 726 . 1 1 58 58 ALA N N 15 122.225 0.054 . 1 . . . A 58 ALA N . 11525 1 727 . 1 1 59 59 ALA H H 1 8.164 0.009 . 1 . . . A 59 ALA H . 11525 1 728 . 1 1 59 59 ALA HA H 1 4.263 0.008 . 1 . . . A 59 ALA HA . 11525 1 729 . 1 1 59 59 ALA HB1 H 1 1.674 0.004 . 1 . . . A 59 ALA HB1 . 11525 1 730 . 1 1 59 59 ALA HB2 H 1 1.674 0.004 . 1 . . . A 59 ALA HB2 . 11525 1 731 . 1 1 59 59 ALA HB3 H 1 1.674 0.004 . 1 . . . A 59 ALA HB3 . 11525 1 732 . 1 1 59 59 ALA C C 13 180.881 0.1 . 1 . . . A 59 ALA C . 11525 1 733 . 1 1 59 59 ALA CA C 13 55.085 0.04 . 1 . . . A 59 ALA CA . 11525 1 734 . 1 1 59 59 ALA CB C 13 18.219 0.134 . 1 . . . A 59 ALA CB . 11525 1 735 . 1 1 59 59 ALA N N 15 121.794 0.2 . 1 . . . A 59 ALA N . 11525 1 736 . 1 1 60 60 LEU H H 1 8.789 0.006 . 1 . . . A 60 LEU H . 11525 1 737 . 1 1 60 60 LEU HA H 1 4.107 0.011 . 1 . . . A 60 LEU HA . 11525 1 738 . 1 1 60 60 LEU HB2 H 1 2.333 0.014 . 1 . . . A 60 LEU HB2 . 11525 1 739 . 1 1 60 60 LEU HB3 H 1 1.512 0.019 . 1 . . . A 60 LEU HB3 . 11525 1 740 . 1 1 60 60 LEU HG H 1 1.611 0.02 . 1 . . . A 60 LEU HG . 11525 1 741 . 1 1 60 60 LEU HD11 H 1 0.885 0.022 . 1 . . . A 60 LEU HD11 . 11525 1 742 . 1 1 60 60 LEU HD12 H 1 0.885 0.022 . 1 . . . A 60 LEU HD12 . 11525 1 743 . 1 1 60 60 LEU HD13 H 1 0.885 0.022 . 1 . . . A 60 LEU HD13 . 11525 1 744 . 1 1 60 60 LEU HD21 H 1 1.078 0.011 . 1 . . . A 60 LEU HD21 . 11525 1 745 . 1 1 60 60 LEU HD22 H 1 1.078 0.011 . 1 . . . A 60 LEU HD22 . 11525 1 746 . 1 1 60 60 LEU HD23 H 1 1.078 0.011 . 1 . . . A 60 LEU HD23 . 11525 1 747 . 1 1 60 60 LEU C C 13 177.576 0.001 . 1 . . . A 60 LEU C . 11525 1 748 . 1 1 60 60 LEU CA C 13 58.156 0.142 . 1 . . . A 60 LEU CA . 11525 1 749 . 1 1 60 60 LEU CB C 13 41.129 0.148 . 1 . . . A 60 LEU CB . 11525 1 750 . 1 1 60 60 LEU CG C 13 27.520 0.069 . 1 . . . A 60 LEU CG . 11525 1 751 . 1 1 60 60 LEU CD2 C 13 25.258 0.929 . 1 . . . A 60 LEU CD2 . 11525 1 752 . 1 1 60 60 LEU N N 15 123.821 0.001 . 1 . . . A 60 LEU N . 11525 1 753 . 1 1 61 61 ARG H H 1 8.702 0.006 . 1 . . . A 61 ARG H . 11525 1 754 . 1 1 61 61 ARG HA H 1 3.828 0.018 . 1 . . . A 61 ARG HA . 11525 1 755 . 1 1 61 61 ARG HB2 H 1 1.945 0.014 . 2 . . . A 61 ARG HB2 . 11525 1 756 . 1 1 61 61 ARG HB3 H 1 1.945 0.014 . 2 . . . A 61 ARG HB3 . 11525 1 757 . 1 1 61 61 ARG HG2 H 1 1.613 0.052 . 2 . . . A 61 ARG HG2 . 11525 1 758 . 1 1 61 61 ARG HG3 H 1 1.613 0.052 . 2 . . . A 61 ARG HG3 . 11525 1 759 . 1 1 61 61 ARG HD2 H 1 3.201 0.029 . 2 . . . A 61 ARG HD2 . 11525 1 760 . 1 1 61 61 ARG HD3 H 1 3.201 0.029 . 2 . . . A 61 ARG HD3 . 11525 1 761 . 1 1 61 61 ARG C C 13 178.734 0.025 . 1 . . . A 61 ARG C . 11525 1 762 . 1 1 61 61 ARG CA C 13 60.506 0.266 . 1 . . . A 61 ARG CA . 11525 1 763 . 1 1 61 61 ARG CB C 13 29.906 0.166 . 1 . . . A 61 ARG CB . 11525 1 764 . 1 1 61 61 ARG CG C 13 27.757 0.629 . 1 . . . A 61 ARG CG . 11525 1 765 . 1 1 61 61 ARG CD C 13 43.319 0.028 . 1 . . . A 61 ARG CD . 11525 1 766 . 1 1 61 61 ARG N N 15 119.402 0.025 . 1 . . . A 61 ARG N . 11525 1 767 . 1 1 62 62 HIS H H 1 7.872 0.005 . 1 . . . A 62 HIS H . 11525 1 768 . 1 1 62 62 HIS HA H 1 4.557 0.011 . 1 . . . A 62 HIS HA . 11525 1 769 . 1 1 62 62 HIS HB2 H 1 3.358 0.012 . 2 . . . A 62 HIS HB2 . 11525 1 770 . 1 1 62 62 HIS HB3 H 1 3.358 0.012 . 2 . . . A 62 HIS HB3 . 11525 1 771 . 1 1 62 62 HIS HD2 H 1 7.391 0.003 . 1 . . . A 62 HIS HD2 . 11525 1 772 . 1 1 62 62 HIS C C 13 176.123 0.012 . 1 . . . A 62 HIS C . 11525 1 773 . 1 1 62 62 HIS CA C 13 58.590 0.436 . 1 . . . A 62 HIS CA . 11525 1 774 . 1 1 62 62 HIS CB C 13 28.521 0.268 . 1 . . . A 62 HIS CB . 11525 1 775 . 1 1 62 62 HIS CD2 C 13 120.492 0.307 . 1 . . . A 62 HIS CD2 . 11525 1 776 . 1 1 62 62 HIS N N 15 116.401 0.012 . 1 . . . A 62 HIS N . 11525 1 777 . 1 1 63 63 ALA H H 1 8.281 0.008 . 1 . . . A 63 ALA H . 11525 1 778 . 1 1 63 63 ALA HA H 1 4.272 0.045 . 1 . . . A 63 ALA HA . 11525 1 779 . 1 1 63 63 ALA HB1 H 1 1.537 0.016 . 1 . . . A 63 ALA HB1 . 11525 1 780 . 1 1 63 63 ALA HB2 H 1 1.537 0.016 . 1 . . . A 63 ALA HB2 . 11525 1 781 . 1 1 63 63 ALA HB3 H 1 1.537 0.016 . 1 . . . A 63 ALA HB3 . 11525 1 782 . 1 1 63 63 ALA C C 13 179.569 0.1 . 1 . . . A 63 ALA C . 11525 1 783 . 1 1 63 63 ALA CA C 13 55.312 0.173 . 1 . . . A 63 ALA CA . 11525 1 784 . 1 1 63 63 ALA CB C 13 18.451 0.24 . 1 . . . A 63 ALA CB . 11525 1 785 . 1 1 63 63 ALA N N 15 122.457 0.2 . 1 . . . A 63 ALA N . 11525 1 786 . 1 1 64 64 VAL H H 1 8.550 0.006 . 1 . . . A 64 VAL H . 11525 1 787 . 1 1 64 64 VAL HA H 1 3.509 0.01 . 1 . . . A 64 VAL HA . 11525 1 788 . 1 1 64 64 VAL HB H 1 2.274 0.006 . 1 . . . A 64 VAL HB . 11525 1 789 . 1 1 64 64 VAL HG11 H 1 1.069 0.016 . 1 . . . A 64 VAL HG11 . 11525 1 790 . 1 1 64 64 VAL HG12 H 1 1.069 0.016 . 1 . . . A 64 VAL HG12 . 11525 1 791 . 1 1 64 64 VAL HG13 H 1 1.069 0.016 . 1 . . . A 64 VAL HG13 . 11525 1 792 . 1 1 64 64 VAL HG21 H 1 0.898 0.011 . 1 . . . A 64 VAL HG21 . 11525 1 793 . 1 1 64 64 VAL HG22 H 1 0.898 0.011 . 1 . . . A 64 VAL HG22 . 11525 1 794 . 1 1 64 64 VAL HG23 H 1 0.898 0.011 . 1 . . . A 64 VAL HG23 . 11525 1 795 . 1 1 64 64 VAL C C 13 180.284 0.1 . 1 . . . A 64 VAL C . 11525 1 796 . 1 1 64 64 VAL CA C 13 66.470 0.262 . 1 . . . A 64 VAL CA . 11525 1 797 . 1 1 64 64 VAL CB C 13 31.942 0.143 . 1 . . . A 64 VAL CB . 11525 1 798 . 1 1 64 64 VAL CG1 C 13 24.063 0.232 . 1 . . . A 64 VAL CG1 . 11525 1 799 . 1 1 64 64 VAL CG2 C 13 21.471 0.33 . 1 . . . A 64 VAL CG2 . 11525 1 800 . 1 1 64 64 VAL N N 15 118.439 0.2 . 1 . . . A 64 VAL N . 11525 1 801 . 1 1 65 65 GLU H H 1 8.248 0.006 . 1 . . . A 65 GLU H . 11525 1 802 . 1 1 65 65 GLU HA H 1 4.017 0.009 . 1 . . . A 65 GLU HA . 11525 1 803 . 1 1 65 65 GLU HB2 H 1 2.281 0.005 . 2 . . . A 65 GLU HB2 . 11525 1 804 . 1 1 65 65 GLU HB3 H 1 2.281 0.005 . 2 . . . A 65 GLU HB3 . 11525 1 805 . 1 1 65 65 GLU HG2 H 1 2.514 0.012 . 2 . . . A 65 GLU HG2 . 11525 1 806 . 1 1 65 65 GLU HG3 H 1 2.514 0.012 . 2 . . . A 65 GLU HG3 . 11525 1 807 . 1 1 65 65 GLU C C 13 178.540 0.001 . 1 . . . A 65 GLU C . 11525 1 808 . 1 1 65 65 GLU CA C 13 59.327 0.186 . 1 . . . A 65 GLU CA . 11525 1 809 . 1 1 65 65 GLU CB C 13 29.613 0.412 . 1 . . . A 65 GLU CB . 11525 1 810 . 1 1 65 65 GLU CG C 13 36.102 0.317 . 1 . . . A 65 GLU CG . 11525 1 811 . 1 1 65 65 GLU N N 15 121.619 0.001 . 1 . . . A 65 GLU N . 11525 1 812 . 1 1 66 66 GLN H H 1 7.795 0.005 . 1 . . . A 66 GLN H . 11525 1 813 . 1 1 66 66 GLN HA H 1 4.244 0.005 . 1 . . . A 66 GLN HA . 11525 1 814 . 1 1 66 66 GLN HB2 H 1 2.329 0.009 . 1 . . . A 66 GLN HB2 . 11525 1 815 . 1 1 66 66 GLN HB3 H 1 1.752 0.017 . 1 . . . A 66 GLN HB3 . 11525 1 816 . 1 1 66 66 GLN HG2 H 1 2.195 0.006 . 2 . . . A 66 GLN HG2 . 11525 1 817 . 1 1 66 66 GLN HG3 H 1 2.195 0.006 . 2 . . . A 66 GLN HG3 . 11525 1 818 . 1 1 66 66 GLN HE21 H 1 7.414 0.006 . 1 . . . A 66 GLN HE21 . 11525 1 819 . 1 1 66 66 GLN HE22 H 1 6.823 0.003 . 1 . . . A 66 GLN HE22 . 11525 1 820 . 1 1 66 66 GLN C C 13 174.589 0.017 . 1 . . . A 66 GLN C . 11525 1 821 . 1 1 66 66 GLN CA C 13 55.279 0.138 . 1 . . . A 66 GLN CA . 11525 1 822 . 1 1 66 66 GLN CB C 13 29.469 0.115 . 1 . . . A 66 GLN CB . 11525 1 823 . 1 1 66 66 GLN CG C 13 34.223 0.166 . 1 . . . A 66 GLN CG . 11525 1 824 . 1 1 66 66 GLN N N 15 113.967 0.017 . 1 . . . A 66 GLN N . 11525 1 825 . 1 1 66 66 GLN NE2 N 15 112.494 0.2 . 1 . . . A 66 GLN NE2 . 11525 1 826 . 1 1 67 67 GLN H H 1 7.942 0.006 . 1 . . . A 67 GLN H . 11525 1 827 . 1 1 67 67 GLN HA H 1 3.790 0.005 . 1 . . . A 67 GLN HA . 11525 1 828 . 1 1 67 67 GLN HB2 H 1 2.258 0.013 . 2 . . . A 67 GLN HB2 . 11525 1 829 . 1 1 67 67 GLN HB3 H 1 2.258 0.013 . 2 . . . A 67 GLN HB3 . 11525 1 830 . 1 1 67 67 GLN HG2 H 1 2.276 0.002 . 2 . . . A 67 GLN HG2 . 11525 1 831 . 1 1 67 67 GLN HG3 H 1 2.276 0.002 . 2 . . . A 67 GLN HG3 . 11525 1 832 . 1 1 67 67 GLN HE21 H 1 7.672 0.004 . 1 . . . A 67 GLN HE21 . 11525 1 833 . 1 1 67 67 GLN HE22 H 1 6.858 0.003 . 1 . . . A 67 GLN HE22 . 11525 1 834 . 1 1 67 67 GLN C C 13 175.271 0.04 . 1 . . . A 67 GLN C . 11525 1 835 . 1 1 67 67 GLN CA C 13 56.625 0.392 . 1 . . . A 67 GLN CA . 11525 1 836 . 1 1 67 67 GLN CB C 13 26.945 0.159 . 1 . . . A 67 GLN CB . 11525 1 837 . 1 1 67 67 GLN CG C 13 34.133 0.239 . 1 . . . A 67 GLN CG . 11525 1 838 . 1 1 67 67 GLN N N 15 117.023 0.04 . 1 . . . A 67 GLN N . 11525 1 839 . 1 1 67 67 GLN NE2 N 15 112.572 0.2 . 1 . . . A 67 GLN NE2 . 11525 1 840 . 1 1 68 68 GLN H H 1 8.304 0.006 . 1 . . . A 68 GLN H . 11525 1 841 . 1 1 68 68 GLN HA H 1 4.620 0.004 . 1 . . . A 68 GLN HA . 11525 1 842 . 1 1 68 68 GLN HB2 H 1 2.006 0.027 . 2 . . . A 68 GLN HB2 . 11525 1 843 . 1 1 68 68 GLN HB3 H 1 2.006 0.027 . 2 . . . A 68 GLN HB3 . 11525 1 844 . 1 1 68 68 GLN HG2 H 1 2.280 0.005 . 2 . . . A 68 GLN HG2 . 11525 1 845 . 1 1 68 68 GLN HG3 H 1 2.280 0.005 . 2 . . . A 68 GLN HG3 . 11525 1 846 . 1 1 68 68 GLN HE21 H 1 7.350 0.001 . 1 . . . A 68 GLN HE21 . 11525 1 847 . 1 1 68 68 GLN HE22 H 1 6.736 0.004 . 1 . . . A 68 GLN HE22 . 11525 1 848 . 1 1 68 68 GLN C C 13 176.297 0.028 . 1 . . . A 68 GLN C . 11525 1 849 . 1 1 68 68 GLN CA C 13 53.649 0.026 . 1 . . . A 68 GLN CA . 11525 1 850 . 1 1 68 68 GLN CB C 13 27.263 0.126 . 1 . . . A 68 GLN CB . 11525 1 851 . 1 1 68 68 GLN CG C 13 33.377 0.164 . 1 . . . A 68 GLN CG . 11525 1 852 . 1 1 68 68 GLN N N 15 119.512 0.028 . 1 . . . A 68 GLN N . 11525 1 853 . 1 1 68 68 GLN NE2 N 15 110.992 0.2 . 1 . . . A 68 GLN NE2 . 11525 1 854 . 1 1 69 69 LEU H H 1 8.034 0.007 . 1 . . . A 69 LEU H . 11525 1 855 . 1 1 69 69 LEU HA H 1 4.098 0.028 . 1 . . . A 69 LEU HA . 11525 1 856 . 1 1 69 69 LEU HB2 H 1 1.953 0.021 . 1 . . . A 69 LEU HB2 . 11525 1 857 . 1 1 69 69 LEU HB3 H 1 1.532 0.003 . 1 . . . A 69 LEU HB3 . 11525 1 858 . 1 1 69 69 LEU HG H 1 1.685 0.064 . 1 . . . A 69 LEU HG . 11525 1 859 . 1 1 69 69 LEU HD11 H 1 0.925 0.014 . 1 . . . A 69 LEU HD11 . 11525 1 860 . 1 1 69 69 LEU HD12 H 1 0.925 0.014 . 1 . . . A 69 LEU HD12 . 11525 1 861 . 1 1 69 69 LEU HD13 H 1 0.925 0.014 . 1 . . . A 69 LEU HD13 . 11525 1 862 . 1 1 69 69 LEU HD21 H 1 0.845 0.035 . 1 . . . A 69 LEU HD21 . 11525 1 863 . 1 1 69 69 LEU HD22 H 1 0.845 0.035 . 1 . . . A 69 LEU HD22 . 11525 1 864 . 1 1 69 69 LEU HD23 H 1 0.845 0.035 . 1 . . . A 69 LEU HD23 . 11525 1 865 . 1 1 69 69 LEU C C 13 176.687 0.1 . 1 . . . A 69 LEU C . 11525 1 866 . 1 1 69 69 LEU CA C 13 59.873 0.123 . 1 . . . A 69 LEU CA . 11525 1 867 . 1 1 69 69 LEU CB C 13 38.640 0.233 . 1 . . . A 69 LEU CB . 11525 1 868 . 1 1 69 69 LEU CG C 13 27.776 0.1 . 1 . . . A 69 LEU CG . 11525 1 869 . 1 1 69 69 LEU CD1 C 13 24.531 0.1 . 1 . . . A 69 LEU CD1 . 11525 1 870 . 1 1 69 69 LEU CD2 C 13 26.619 0.1 . 1 . . . A 69 LEU CD2 . 11525 1 871 . 1 1 69 69 LEU N N 15 121.220 0.2 . 1 . . . A 69 LEU N . 11525 1 872 . 1 1 70 70 PRO HA H 1 4.396 0.014 . 1 . . . A 70 PRO HA . 11525 1 873 . 1 1 70 70 PRO HB2 H 1 2.393 0.02 . 1 . . . A 70 PRO HB2 . 11525 1 874 . 1 1 70 70 PRO HB3 H 1 1.887 0.02 . 1 . . . A 70 PRO HB3 . 11525 1 875 . 1 1 70 70 PRO HG2 H 1 2.207 0.02 . 2 . . . A 70 PRO HG2 . 11525 1 876 . 1 1 70 70 PRO HG3 H 1 2.207 0.02 . 2 . . . A 70 PRO HG3 . 11525 1 877 . 1 1 70 70 PRO C C 13 179.447 0.1 . 1 . . . A 70 PRO C . 11525 1 878 . 1 1 70 70 PRO CA C 13 66.093 0.146 . 1 . . . A 70 PRO CA . 11525 1 879 . 1 1 70 70 PRO CB C 13 30.754 0.198 . 1 . . . A 70 PRO CB . 11525 1 880 . 1 1 70 70 PRO CG C 13 28.479 0.1 . 1 . . . A 70 PRO CG . 11525 1 881 . 1 1 71 71 GLN H H 1 7.539 0.003 . 1 . . . A 71 GLN H . 11525 1 882 . 1 1 71 71 GLN HA H 1 4.317 0.023 . 1 . . . A 71 GLN HA . 11525 1 883 . 1 1 71 71 GLN HB2 H 1 2.324 0.02 . 1 . . . A 71 GLN HB2 . 11525 1 884 . 1 1 71 71 GLN HB3 H 1 2.139 0.004 . 1 . . . A 71 GLN HB3 . 11525 1 885 . 1 1 71 71 GLN HG2 H 1 2.534 0.004 . 2 . . . A 71 GLN HG2 . 11525 1 886 . 1 1 71 71 GLN HG3 H 1 2.534 0.004 . 2 . . . A 71 GLN HG3 . 11525 1 887 . 1 1 71 71 GLN HE21 H 1 7.429 0.003 . 1 . . . A 71 GLN HE21 . 11525 1 888 . 1 1 71 71 GLN HE22 H 1 6.702 0.002 . 1 . . . A 71 GLN HE22 . 11525 1 889 . 1 1 71 71 GLN C C 13 177.921 0.002 . 1 . . . A 71 GLN C . 11525 1 890 . 1 1 71 71 GLN CA C 13 59.078 0.164 . 1 . . . A 71 GLN CA . 11525 1 891 . 1 1 71 71 GLN CB C 13 28.769 0.425 . 1 . . . A 71 GLN CB . 11525 1 892 . 1 1 71 71 GLN CG C 13 34.295 0.1 . 1 . . . A 71 GLN CG . 11525 1 893 . 1 1 71 71 GLN N N 15 117.575 0.002 . 1 . . . A 71 GLN N . 11525 1 894 . 1 1 71 71 GLN NE2 N 15 110.934 0.2 . 1 . . . A 71 GLN NE2 . 11525 1 895 . 1 1 72 72 VAL H H 1 8.214 0.006 . 1 . . . A 72 VAL H . 11525 1 896 . 1 1 72 72 VAL HA H 1 3.465 0.013 . 1 . . . A 72 VAL HA . 11525 1 897 . 1 1 72 72 VAL HB H 1 2.288 0.005 . 1 . . . A 72 VAL HB . 11525 1 898 . 1 1 72 72 VAL HG11 H 1 0.936 0.002 . 1 . . . A 72 VAL HG11 . 11525 1 899 . 1 1 72 72 VAL HG12 H 1 0.936 0.002 . 1 . . . A 72 VAL HG12 . 11525 1 900 . 1 1 72 72 VAL HG13 H 1 0.936 0.002 . 1 . . . A 72 VAL HG13 . 11525 1 901 . 1 1 72 72 VAL HG21 H 1 0.844 0.003 . 1 . . . A 72 VAL HG21 . 11525 1 902 . 1 1 72 72 VAL HG22 H 1 0.844 0.003 . 1 . . . A 72 VAL HG22 . 11525 1 903 . 1 1 72 72 VAL HG23 H 1 0.844 0.003 . 1 . . . A 72 VAL HG23 . 11525 1 904 . 1 1 72 72 VAL C C 13 176.812 0.034 . 1 . . . A 72 VAL C . 11525 1 905 . 1 1 72 72 VAL CA C 13 66.394 0.147 . 1 . . . A 72 VAL CA . 11525 1 906 . 1 1 72 72 VAL CB C 13 32.122 0.013 . 1 . . . A 72 VAL CB . 11525 1 907 . 1 1 72 72 VAL CG1 C 13 23.193 0.174 . 1 . . . A 72 VAL CG1 . 11525 1 908 . 1 1 72 72 VAL CG2 C 13 21.007 0.07 . 1 . . . A 72 VAL CG2 . 11525 1 909 . 1 1 72 72 VAL N N 15 119.720 0.034 . 1 . . . A 72 VAL N . 11525 1 910 . 1 1 73 73 ALA H H 1 7.730 0.008 . 1 . . . A 73 ALA H . 11525 1 911 . 1 1 73 73 ALA HA H 1 4.035 0.013 . 1 . . . A 73 ALA HA . 11525 1 912 . 1 1 73 73 ALA HB1 H 1 1.499 0.008 . 1 . . . A 73 ALA HB1 . 11525 1 913 . 1 1 73 73 ALA HB2 H 1 1.499 0.008 . 1 . . . A 73 ALA HB2 . 11525 1 914 . 1 1 73 73 ALA HB3 H 1 1.499 0.008 . 1 . . . A 73 ALA HB3 . 11525 1 915 . 1 1 73 73 ALA C C 13 180.480 0.019 . 1 . . . A 73 ALA C . 11525 1 916 . 1 1 73 73 ALA CA C 13 55.303 0.142 . 1 . . . A 73 ALA CA . 11525 1 917 . 1 1 73 73 ALA CB C 13 18.383 0.123 . 1 . . . A 73 ALA CB . 11525 1 918 . 1 1 73 73 ALA N N 15 118.957 0.019 . 1 . . . A 73 ALA N . 11525 1 919 . 1 1 74 74 TRP H H 1 7.906 0.005 . 1 . . . A 74 TRP H . 11525 1 920 . 1 1 74 74 TRP HA H 1 4.311 0.015 . 1 . . . A 74 TRP HA . 11525 1 921 . 1 1 74 74 TRP HB2 H 1 3.282 0.01 . 1 . . . A 74 TRP HB2 . 11525 1 922 . 1 1 74 74 TRP HB3 H 1 3.407 0.022 . 1 . . . A 74 TRP HB3 . 11525 1 923 . 1 1 74 74 TRP HD1 H 1 7.265 0.007 . 1 . . . A 74 TRP HD1 . 11525 1 924 . 1 1 74 74 TRP HE1 H 1 10.087 0.012 . 1 . . . A 74 TRP HE1 . 11525 1 925 . 1 1 74 74 TRP HE3 H 1 7.418 0.003 . 1 . . . A 74 TRP HE3 . 11525 1 926 . 1 1 74 74 TRP HZ2 H 1 7.097 0.008 . 1 . . . A 74 TRP HZ2 . 11525 1 927 . 1 1 74 74 TRP HZ3 H 1 6.931 0.03 . 1 . . . A 74 TRP HZ3 . 11525 1 928 . 1 1 74 74 TRP HH2 H 1 6.687 0.009 . 1 . . . A 74 TRP HH2 . 11525 1 929 . 1 1 74 74 TRP C C 13 179.018 0.1 . 1 . . . A 74 TRP C . 11525 1 930 . 1 1 74 74 TRP CA C 13 61.316 0.152 . 1 . . . A 74 TRP CA . 11525 1 931 . 1 1 74 74 TRP CB C 13 29.656 0.369 . 1 . . . A 74 TRP CB . 11525 1 932 . 1 1 74 74 TRP CD1 C 13 127.796 0.37 . 1 . . . A 74 TRP CD1 . 11525 1 933 . 1 1 74 74 TRP CE3 C 13 120.968 0.1 . 1 . . . A 74 TRP CE3 . 11525 1 934 . 1 1 74 74 TRP CZ2 C 13 114.200 0.145 . 1 . . . A 74 TRP CZ2 . 11525 1 935 . 1 1 74 74 TRP CZ3 C 13 121.863 0.014 . 1 . . . A 74 TRP CZ3 . 11525 1 936 . 1 1 74 74 TRP CH2 C 13 124.159 0.101 . 1 . . . A 74 TRP CH2 . 11525 1 937 . 1 1 74 74 TRP N N 15 117.792 0.2 . 1 . . . A 74 TRP N . 11525 1 938 . 1 1 74 74 TRP NE1 N 15 129.561 0.2 . 1 . . . A 74 TRP NE1 . 11525 1 939 . 1 1 75 75 LEU H H 1 8.821 0.005 . 1 . . . A 75 LEU H . 11525 1 940 . 1 1 75 75 LEU HA H 1 3.781 0.013 . 1 . . . A 75 LEU HA . 11525 1 941 . 1 1 75 75 LEU HB2 H 1 2.037 0.004 . 1 . . . A 75 LEU HB2 . 11525 1 942 . 1 1 75 75 LEU HB3 H 1 1.306 0.002 . 1 . . . A 75 LEU HB3 . 11525 1 943 . 1 1 75 75 LEU HG H 1 1.912 0.02 . 1 . . . A 75 LEU HG . 11525 1 944 . 1 1 75 75 LEU HD11 H 1 1.007 0.041 . 1 . . . A 75 LEU HD11 . 11525 1 945 . 1 1 75 75 LEU HD12 H 1 1.007 0.041 . 1 . . . A 75 LEU HD12 . 11525 1 946 . 1 1 75 75 LEU HD13 H 1 1.007 0.041 . 1 . . . A 75 LEU HD13 . 11525 1 947 . 1 1 75 75 LEU HD21 H 1 0.864 0.001 . 1 . . . A 75 LEU HD21 . 11525 1 948 . 1 1 75 75 LEU HD22 H 1 0.864 0.001 . 1 . . . A 75 LEU HD22 . 11525 1 949 . 1 1 75 75 LEU HD23 H 1 0.864 0.001 . 1 . . . A 75 LEU HD23 . 11525 1 950 . 1 1 75 75 LEU C C 13 178.977 0.009 . 1 . . . A 75 LEU C . 11525 1 951 . 1 1 75 75 LEU CA C 13 58.161 0.13 . 1 . . . A 75 LEU CA . 11525 1 952 . 1 1 75 75 LEU CB C 13 43.518 0.279 . 1 . . . A 75 LEU CB . 11525 1 953 . 1 1 75 75 LEU CG C 13 27.719 0.1 . 1 . . . A 75 LEU CG . 11525 1 954 . 1 1 75 75 LEU CD1 C 13 23.329 0.1 . 1 . . . A 75 LEU CD1 . 11525 1 955 . 1 1 75 75 LEU CD2 C 13 25.033 0.1 . 1 . . . A 75 LEU CD2 . 11525 1 956 . 1 1 75 75 LEU N N 15 120.355 0.009 . 1 . . . A 75 LEU N . 11525 1 957 . 1 1 76 76 ALA H H 1 8.813 0.005 . 1 . . . A 76 ALA H . 11525 1 958 . 1 1 76 76 ALA HA H 1 3.898 0.003 . 1 . . . A 76 ALA HA . 11525 1 959 . 1 1 76 76 ALA HB1 H 1 1.480 0.02 . 1 . . . A 76 ALA HB1 . 11525 1 960 . 1 1 76 76 ALA HB2 H 1 1.480 0.02 . 1 . . . A 76 ALA HB2 . 11525 1 961 . 1 1 76 76 ALA HB3 H 1 1.480 0.02 . 1 . . . A 76 ALA HB3 . 11525 1 962 . 1 1 76 76 ALA C C 13 180.095 0.1 . 1 . . . A 76 ALA C . 11525 1 963 . 1 1 76 76 ALA CA C 13 55.928 0.157 . 1 . . . A 76 ALA CA . 11525 1 964 . 1 1 76 76 ALA CB C 13 18.576 0.122 . 1 . . . A 76 ALA CB . 11525 1 965 . 1 1 76 76 ALA N N 15 120.534 0.2 . 1 . . . A 76 ALA N . 11525 1 966 . 1 1 77 77 GLU H H 1 7.523 0.006 . 1 . . . A 77 GLU H . 11525 1 967 . 1 1 77 77 GLU HA H 1 3.975 0.01 . 1 . . . A 77 GLU HA . 11525 1 968 . 1 1 77 77 GLU HB2 H 1 2.051 0.007 . 2 . . . A 77 GLU HB2 . 11525 1 969 . 1 1 77 77 GLU HB3 H 1 2.051 0.007 . 2 . . . A 77 GLU HB3 . 11525 1 970 . 1 1 77 77 GLU HG2 H 1 2.395 0.02 . 2 . . . A 77 GLU HG2 . 11525 1 971 . 1 1 77 77 GLU HG3 H 1 2.395 0.02 . 2 . . . A 77 GLU HG3 . 11525 1 972 . 1 1 77 77 GLU C C 13 178.914 0.006 . 1 . . . A 77 GLU C . 11525 1 973 . 1 1 77 77 GLU CA C 13 59.203 0.221 . 1 . . . A 77 GLU CA . 11525 1 974 . 1 1 77 77 GLU CB C 13 29.623 0.216 . 1 . . . A 77 GLU CB . 11525 1 975 . 1 1 77 77 GLU CG C 13 35.926 0.1 . 1 . . . A 77 GLU CG . 11525 1 976 . 1 1 77 77 GLU N N 15 118.262 0.006 . 1 . . . A 77 GLU N . 11525 1 977 . 1 1 78 78 HIS H H 1 8.251 0.005 . 1 . . . A 78 HIS H . 11525 1 978 . 1 1 78 78 HIS HA H 1 4.094 0.02 . 1 . . . A 78 HIS HA . 11525 1 979 . 1 1 78 78 HIS HB2 H 1 2.575 0.01 . 1 . . . A 78 HIS HB2 . 11525 1 980 . 1 1 78 78 HIS HB3 H 1 2.057 0.028 . 1 . . . A 78 HIS HB3 . 11525 1 981 . 1 1 78 78 HIS HD2 H 1 6.748 0.006 . 1 . . . A 78 HIS HD2 . 11525 1 982 . 1 1 78 78 HIS C C 13 176.533 0.013 . 1 . . . A 78 HIS C . 11525 1 983 . 1 1 78 78 HIS CA C 13 58.658 0.209 . 1 . . . A 78 HIS CA . 11525 1 984 . 1 1 78 78 HIS CB C 13 28.570 0.134 . 1 . . . A 78 HIS CB . 11525 1 985 . 1 1 78 78 HIS CD2 C 13 118.875 0.353 . 1 . . . A 78 HIS CD2 . 11525 1 986 . 1 1 78 78 HIS N N 15 119.448 0.013 . 1 . . . A 78 HIS N . 11525 1 987 . 1 1 79 79 LEU H H 1 8.890 0.005 . 1 . . . A 79 LEU H . 11525 1 988 . 1 1 79 79 LEU HA H 1 4.195 0.01 . 1 . . . A 79 LEU HA . 11525 1 989 . 1 1 79 79 LEU HB2 H 1 1.915 0.016 . 1 . . . A 79 LEU HB2 . 11525 1 990 . 1 1 79 79 LEU HB3 H 1 1.443 0.02 . 1 . . . A 79 LEU HB3 . 11525 1 991 . 1 1 79 79 LEU HG H 1 1.542 0.008 . 1 . . . A 79 LEU HG . 11525 1 992 . 1 1 79 79 LEU HD11 H 1 0.882 0.059 . 1 . . . A 79 LEU HD11 . 11525 1 993 . 1 1 79 79 LEU HD12 H 1 0.882 0.059 . 1 . . . A 79 LEU HD12 . 11525 1 994 . 1 1 79 79 LEU HD13 H 1 0.882 0.059 . 1 . . . A 79 LEU HD13 . 11525 1 995 . 1 1 79 79 LEU HD21 H 1 1.166 0.018 . 1 . . . A 79 LEU HD21 . 11525 1 996 . 1 1 79 79 LEU HD22 H 1 1.166 0.018 . 1 . . . A 79 LEU HD22 . 11525 1 997 . 1 1 79 79 LEU HD23 H 1 1.166 0.018 . 1 . . . A 79 LEU HD23 . 11525 1 998 . 1 1 79 79 LEU C C 13 178.262 0.025 . 1 . . . A 79 LEU C . 11525 1 999 . 1 1 79 79 LEU CA C 13 57.315 0.227 . 1 . . . A 79 LEU CA . 11525 1 1000 . 1 1 79 79 LEU CB C 13 42.117 0.171 . 1 . . . A 79 LEU CB . 11525 1 1001 . 1 1 79 79 LEU CG C 13 27.500 0.119 . 1 . . . A 79 LEU CG . 11525 1 1002 . 1 1 79 79 LEU CD1 C 13 27.422 0.314 . 1 . . . A 79 LEU CD1 . 11525 1 1003 . 1 1 79 79 LEU CD2 C 13 24.510 0.133 . 1 . . . A 79 LEU CD2 . 11525 1 1004 . 1 1 79 79 LEU N N 15 119.806 0.025 . 1 . . . A 79 LEU N . 11525 1 1005 . 1 1 80 80 ALA H H 1 8.039 0.006 . 1 . . . A 80 ALA H . 11525 1 1006 . 1 1 80 80 ALA HA H 1 4.105 0.02 . 1 . . . A 80 ALA HA . 11525 1 1007 . 1 1 80 80 ALA HB1 H 1 1.490 0.003 . 1 . . . A 80 ALA HB1 . 11525 1 1008 . 1 1 80 80 ALA HB2 H 1 1.490 0.003 . 1 . . . A 80 ALA HB2 . 11525 1 1009 . 1 1 80 80 ALA HB3 H 1 1.490 0.003 . 1 . . . A 80 ALA HB3 . 11525 1 1010 . 1 1 80 80 ALA C C 13 180.168 0.001 . 1 . . . A 80 ALA C . 11525 1 1011 . 1 1 80 80 ALA CA C 13 55.969 0.177 . 1 . . . A 80 ALA CA . 11525 1 1012 . 1 1 80 80 ALA CB C 13 18.243 0.187 . 1 . . . A 80 ALA CB . 11525 1 1013 . 1 1 80 80 ALA N N 15 120.264 0.001 . 1 . . . A 80 ALA N . 11525 1 1014 . 1 1 81 81 ALA H H 1 7.525 0.008 . 1 . . . A 81 ALA H . 11525 1 1015 . 1 1 81 81 ALA HA H 1 4.127 0.009 . 1 . . . A 81 ALA HA . 11525 1 1016 . 1 1 81 81 ALA HB1 H 1 1.438 0.008 . 1 . . . A 81 ALA HB1 . 11525 1 1017 . 1 1 81 81 ALA HB2 H 1 1.438 0.008 . 1 . . . A 81 ALA HB2 . 11525 1 1018 . 1 1 81 81 ALA HB3 H 1 1.438 0.008 . 1 . . . A 81 ALA HB3 . 11525 1 1019 . 1 1 81 81 ALA C C 13 181.122 0.015 . 1 . . . A 81 ALA C . 11525 1 1020 . 1 1 81 81 ALA CA C 13 55.018 0.009 . 1 . . . A 81 ALA CA . 11525 1 1021 . 1 1 81 81 ALA CB C 13 18.195 0.098 . 1 . . . A 81 ALA CB . 11525 1 1022 . 1 1 81 81 ALA N N 15 119.795 0.015 . 1 . . . A 81 ALA N . 11525 1 1023 . 1 1 82 82 GLN H H 1 8.105 0.004 . 1 . . . A 82 GLN H . 11525 1 1024 . 1 1 82 82 GLN HA H 1 3.632 0.009 . 1 . . . A 82 GLN HA . 11525 1 1025 . 1 1 82 82 GLN HB2 H 1 2.540 0.026 . 1 . . . A 82 GLN HB2 . 11525 1 1026 . 1 1 82 82 GLN HB3 H 1 1.460 0.024 . 1 . . . A 82 GLN HB3 . 11525 1 1027 . 1 1 82 82 GLN HG2 H 1 1.945 0.003 . 1 . . . A 82 GLN HG2 . 11525 1 1028 . 1 1 82 82 GLN HG3 H 1 0.703 0.01 . 1 . . . A 82 GLN HG3 . 11525 1 1029 . 1 1 82 82 GLN HE21 H 1 6.544 0.019 . 1 . . . A 82 GLN HE21 . 11525 1 1030 . 1 1 82 82 GLN HE22 H 1 5.649 0.015 . 1 . . . A 82 GLN HE22 . 11525 1 1031 . 1 1 82 82 GLN C C 13 178.696 0.013 . 1 . . . A 82 GLN C . 11525 1 1032 . 1 1 82 82 GLN CA C 13 60.152 0.25 . 1 . . . A 82 GLN CA . 11525 1 1033 . 1 1 82 82 GLN CB C 13 29.019 0.154 . 1 . . . A 82 GLN CB . 11525 1 1034 . 1 1 82 82 GLN CG C 13 34.429 0.169 . 1 . . . A 82 GLN CG . 11525 1 1035 . 1 1 82 82 GLN N N 15 119.376 0.013 . 1 . . . A 82 GLN N . 11525 1 1036 . 1 1 82 82 GLN NE2 N 15 109.141 0.2 . 1 . . . A 82 GLN NE2 . 11525 1 1037 . 1 1 83 83 LEU H H 1 8.724 0.005 . 1 . . . A 83 LEU H . 11525 1 1038 . 1 1 83 83 LEU HA H 1 3.912 0.02 . 1 . . . A 83 LEU HA . 11525 1 1039 . 1 1 83 83 LEU HB2 H 1 1.929 0.009 . 1 . . . A 83 LEU HB2 . 11525 1 1040 . 1 1 83 83 LEU HB3 H 1 1.321 0.01 . 1 . . . A 83 LEU HB3 . 11525 1 1041 . 1 1 83 83 LEU HG H 1 1.164 0.02 . 1 . . . A 83 LEU HG . 11525 1 1042 . 1 1 83 83 LEU HD11 H 1 0.934 0.006 . 1 . . . A 83 LEU HD11 . 11525 1 1043 . 1 1 83 83 LEU HD12 H 1 0.934 0.006 . 1 . . . A 83 LEU HD12 . 11525 1 1044 . 1 1 83 83 LEU HD13 H 1 0.934 0.006 . 1 . . . A 83 LEU HD13 . 11525 1 1045 . 1 1 83 83 LEU HD21 H 1 0.837 0.012 . 1 . . . A 83 LEU HD21 . 11525 1 1046 . 1 1 83 83 LEU HD22 H 1 0.837 0.012 . 1 . . . A 83 LEU HD22 . 11525 1 1047 . 1 1 83 83 LEU HD23 H 1 0.837 0.012 . 1 . . . A 83 LEU HD23 . 11525 1 1048 . 1 1 83 83 LEU C C 13 179.228 0.031 . 1 . . . A 83 LEU C . 11525 1 1049 . 1 1 83 83 LEU CA C 13 58.198 0.177 . 1 . . . A 83 LEU CA . 11525 1 1050 . 1 1 83 83 LEU CB C 13 40.429 0.184 . 1 . . . A 83 LEU CB . 11525 1 1051 . 1 1 83 83 LEU CG C 13 26.632 0.1 . 1 . . . A 83 LEU CG . 11525 1 1052 . 1 1 83 83 LEU CD1 C 13 26.221 0.1 . 1 . . . A 83 LEU CD1 . 11525 1 1053 . 1 1 83 83 LEU CD2 C 13 22.273 0.1 . 1 . . . A 83 LEU CD2 . 11525 1 1054 . 1 1 83 83 LEU N N 15 117.546 0.031 . 1 . . . A 83 LEU N . 11525 1 1055 . 1 1 84 84 GLU H H 1 8.043 0.008 . 1 . . . A 84 GLU H . 11525 1 1056 . 1 1 84 84 GLU HA H 1 4.096 0.006 . 1 . . . A 84 GLU HA . 11525 1 1057 . 1 1 84 84 GLU HB2 H 1 2.075 0.022 . 2 . . . A 84 GLU HB2 . 11525 1 1058 . 1 1 84 84 GLU HB3 H 1 2.075 0.022 . 2 . . . A 84 GLU HB3 . 11525 1 1059 . 1 1 84 84 GLU HG2 H 1 2.317 0.013 . 2 . . . A 84 GLU HG2 . 11525 1 1060 . 1 1 84 84 GLU HG3 H 1 2.317 0.013 . 2 . . . A 84 GLU HG3 . 11525 1 1061 . 1 1 84 84 GLU C C 13 178.702 0.019 . 1 . . . A 84 GLU C . 11525 1 1062 . 1 1 84 84 GLU CA C 13 59.213 0.369 . 1 . . . A 84 GLU CA . 11525 1 1063 . 1 1 84 84 GLU CB C 13 29.455 0.192 . 1 . . . A 84 GLU CB . 11525 1 1064 . 1 1 84 84 GLU CG C 13 35.869 0.071 . 1 . . . A 84 GLU CG . 11525 1 1065 . 1 1 84 84 GLU N N 15 119.717 0.019 . 1 . . . A 84 GLU N . 11525 1 1066 . 1 1 85 85 ALA H H 1 7.898 0.006 . 1 . . . A 85 ALA H . 11525 1 1067 . 1 1 85 85 ALA HA H 1 4.119 0.005 . 1 . . . A 85 ALA HA . 11525 1 1068 . 1 1 85 85 ALA HB1 H 1 1.535 0.004 . 1 . . . A 85 ALA HB1 . 11525 1 1069 . 1 1 85 85 ALA HB2 H 1 1.535 0.004 . 1 . . . A 85 ALA HB2 . 11525 1 1070 . 1 1 85 85 ALA HB3 H 1 1.535 0.004 . 1 . . . A 85 ALA HB3 . 11525 1 1071 . 1 1 85 85 ALA C C 13 181.255 0.008 . 1 . . . A 85 ALA C . 11525 1 1072 . 1 1 85 85 ALA CA C 13 55.234 0.171 . 1 . . . A 85 ALA CA . 11525 1 1073 . 1 1 85 85 ALA CB C 13 18.614 0.445 . 1 . . . A 85 ALA CB . 11525 1 1074 . 1 1 85 85 ALA N N 15 121.618 0.008 . 1 . . . A 85 ALA N . 11525 1 1075 . 1 1 86 86 ILE H H 1 8.399 0.025 . 1 . . . A 86 ILE H . 11525 1 1076 . 1 1 86 86 ILE HA H 1 3.675 0.004 . 1 . . . A 86 ILE HA . 11525 1 1077 . 1 1 86 86 ILE HB H 1 1.949 0.008 . 1 . . . A 86 ILE HB . 11525 1 1078 . 1 1 86 86 ILE HG12 H 1 2.306 0.027 . 1 . . . A 86 ILE HG12 . 11525 1 1079 . 1 1 86 86 ILE HG13 H 1 1.536 0.02 . 1 . . . A 86 ILE HG13 . 11525 1 1080 . 1 1 86 86 ILE HG21 H 1 0.879 0.014 . 1 . . . A 86 ILE HG21 . 11525 1 1081 . 1 1 86 86 ILE HG22 H 1 0.879 0.014 . 1 . . . A 86 ILE HG22 . 11525 1 1082 . 1 1 86 86 ILE HG23 H 1 0.879 0.014 . 1 . . . A 86 ILE HG23 . 11525 1 1083 . 1 1 86 86 ILE HD11 H 1 0.812 0.01 . 1 . . . A 86 ILE HD11 . 11525 1 1084 . 1 1 86 86 ILE HD12 H 1 0.812 0.01 . 1 . . . A 86 ILE HD12 . 11525 1 1085 . 1 1 86 86 ILE HD13 H 1 0.812 0.01 . 1 . . . A 86 ILE HD13 . 11525 1 1086 . 1 1 86 86 ILE C C 13 176.842 0.012 . 1 . . . A 86 ILE C . 11525 1 1087 . 1 1 86 86 ILE CA C 13 65.954 0.259 . 1 . . . A 86 ILE CA . 11525 1 1088 . 1 1 86 86 ILE CB C 13 38.243 0.352 . 1 . . . A 86 ILE CB . 11525 1 1089 . 1 1 86 86 ILE CG1 C 13 29.660 1.309 . 1 . . . A 86 ILE CG1 . 11525 1 1090 . 1 1 86 86 ILE CG2 C 13 18.445 0.115 . 1 . . . A 86 ILE CG2 . 11525 1 1091 . 1 1 86 86 ILE CD1 C 13 13.666 0.241 . 1 . . . A 86 ILE CD1 . 11525 1 1092 . 1 1 86 86 ILE N N 15 119.414 0.012 . 1 . . . A 86 ILE N . 11525 1 1093 . 1 1 87 87 ALA H H 1 8.596 0.006 . 1 . . . A 87 ALA H . 11525 1 1094 . 1 1 87 87 ALA HA H 1 3.875 0.018 . 1 . . . A 87 ALA HA . 11525 1 1095 . 1 1 87 87 ALA HB1 H 1 1.535 0.01 . 1 . . . A 87 ALA HB1 . 11525 1 1096 . 1 1 87 87 ALA HB2 H 1 1.535 0.01 . 1 . . . A 87 ALA HB2 . 11525 1 1097 . 1 1 87 87 ALA HB3 H 1 1.535 0.01 . 1 . . . A 87 ALA HB3 . 11525 1 1098 . 1 1 87 87 ALA C C 13 180.634 0.022 . 1 . . . A 87 ALA C . 11525 1 1099 . 1 1 87 87 ALA CA C 13 55.657 0.207 . 1 . . . A 87 ALA CA . 11525 1 1100 . 1 1 87 87 ALA CB C 13 18.354 0.201 . 1 . . . A 87 ALA CB . 11525 1 1101 . 1 1 87 87 ALA N N 15 122.299 0.022 . 1 . . . A 87 ALA N . 11525 1 1102 . 1 1 88 88 ARG H H 1 8.128 0.003 . 1 . . . A 88 ARG H . 11525 1 1103 . 1 1 88 88 ARG HA H 1 4.098 0.02 . 1 . . . A 88 ARG HA . 11525 1 1104 . 1 1 88 88 ARG HB2 H 1 1.947 0.015 . 2 . . . A 88 ARG HB2 . 11525 1 1105 . 1 1 88 88 ARG HB3 H 1 1.947 0.015 . 2 . . . A 88 ARG HB3 . 11525 1 1106 . 1 1 88 88 ARG HG2 H 1 1.677 0.014 . 2 . . . A 88 ARG HG2 . 11525 1 1107 . 1 1 88 88 ARG HG3 H 1 1.677 0.014 . 2 . . . A 88 ARG HG3 . 11525 1 1108 . 1 1 88 88 ARG HD2 H 1 3.190 0.02 . 2 . . . A 88 ARG HD2 . 11525 1 1109 . 1 1 88 88 ARG HD3 H 1 3.190 0.02 . 2 . . . A 88 ARG HD3 . 11525 1 1110 . 1 1 88 88 ARG C C 13 179.488 0.019 . 1 . . . A 88 ARG C . 11525 1 1111 . 1 1 88 88 ARG CA C 13 59.520 0.164 . 1 . . . A 88 ARG CA . 11525 1 1112 . 1 1 88 88 ARG CB C 13 30.368 0.419 . 1 . . . A 88 ARG CB . 11525 1 1113 . 1 1 88 88 ARG CG C 13 27.396 0.996 . 1 . . . A 88 ARG CG . 11525 1 1114 . 1 1 88 88 ARG CD C 13 42.798 0.1 . 1 . . . A 88 ARG CD . 11525 1 1115 . 1 1 88 88 ARG N N 15 118.137 0.019 . 1 . . . A 88 ARG N . 11525 1 1116 . 1 1 89 89 GLU H H 1 7.758 0.008 . 1 . . . A 89 GLU H . 11525 1 1117 . 1 1 89 89 GLU HA H 1 4.294 0.01 . 1 . . . A 89 GLU HA . 11525 1 1118 . 1 1 89 89 GLU HB2 H 1 2.294 0.015 . 2 . . . A 89 GLU HB2 . 11525 1 1119 . 1 1 89 89 GLU HB3 H 1 2.294 0.015 . 2 . . . A 89 GLU HB3 . 11525 1 1120 . 1 1 89 89 GLU HG2 H 1 2.438 0.011 . 2 . . . A 89 GLU HG2 . 11525 1 1121 . 1 1 89 89 GLU HG3 H 1 2.438 0.011 . 2 . . . A 89 GLU HG3 . 11525 1 1122 . 1 1 89 89 GLU C C 13 178.420 0.011 . 1 . . . A 89 GLU C . 11525 1 1123 . 1 1 89 89 GLU CA C 13 58.295 0.04 . 1 . . . A 89 GLU CA . 11525 1 1124 . 1 1 89 89 GLU CB C 13 29.791 0.169 . 1 . . . A 89 GLU CB . 11525 1 1125 . 1 1 89 89 GLU CG C 13 34.826 0.849 . 1 . . . A 89 GLU CG . 11525 1 1126 . 1 1 89 89 GLU N N 15 122.849 0.011 . 1 . . . A 89 GLU N . 11525 1 1127 . 1 1 90 90 ALA H H 1 8.672 0.007 . 1 . . . A 90 ALA H . 11525 1 1128 . 1 1 90 90 ALA HA H 1 3.782 0.013 . 1 . . . A 90 ALA HA . 11525 1 1129 . 1 1 90 90 ALA HB1 H 1 1.320 0.006 . 1 . . . A 90 ALA HB1 . 11525 1 1130 . 1 1 90 90 ALA HB2 H 1 1.320 0.006 . 1 . . . A 90 ALA HB2 . 11525 1 1131 . 1 1 90 90 ALA HB3 H 1 1.320 0.006 . 1 . . . A 90 ALA HB3 . 11525 1 1132 . 1 1 90 90 ALA C C 13 179.810 0.016 . 1 . . . A 90 ALA C . 11525 1 1133 . 1 1 90 90 ALA CA C 13 54.520 0.121 . 1 . . . A 90 ALA CA . 11525 1 1134 . 1 1 90 90 ALA CB C 13 18.311 0.186 . 1 . . . A 90 ALA CB . 11525 1 1135 . 1 1 90 90 ALA N N 15 120.373 0.016 . 1 . . . A 90 ALA N . 11525 1 1136 . 1 1 91 91 SER H H 1 7.836 0.006 . 1 . . . A 91 SER H . 11525 1 1137 . 1 1 91 91 SER HA H 1 4.258 0.004 . 1 . . . A 91 SER HA . 11525 1 1138 . 1 1 91 91 SER HB2 H 1 4.025 0.014 . 2 . . . A 91 SER HB2 . 11525 1 1139 . 1 1 91 91 SER HB3 H 1 4.025 0.014 . 2 . . . A 91 SER HB3 . 11525 1 1140 . 1 1 91 91 SER C C 13 175.857 0.022 . 1 . . . A 91 SER C . 11525 1 1141 . 1 1 91 91 SER CA C 13 61.130 0.223 . 1 . . . A 91 SER CA . 11525 1 1142 . 1 1 91 91 SER CB C 13 63.083 0.159 . 1 . . . A 91 SER CB . 11525 1 1143 . 1 1 91 91 SER N N 15 112.916 0.022 . 1 . . . A 91 SER N . 11525 1 1144 . 1 1 92 92 ALA H H 1 7.651 0.004 . 1 . . . A 92 ALA H . 11525 1 1145 . 1 1 92 92 ALA HA H 1 4.230 0.009 . 1 . . . A 92 ALA HA . 11525 1 1146 . 1 1 92 92 ALA HB1 H 1 1.367 0.009 . 1 . . . A 92 ALA HB1 . 11525 1 1147 . 1 1 92 92 ALA HB2 H 1 1.367 0.009 . 1 . . . A 92 ALA HB2 . 11525 1 1148 . 1 1 92 92 ALA HB3 H 1 1.367 0.009 . 1 . . . A 92 ALA HB3 . 11525 1 1149 . 1 1 92 92 ALA C C 13 178.627 0.02 . 1 . . . A 92 ALA C . 11525 1 1150 . 1 1 92 92 ALA CA C 13 53.810 0.21 . 1 . . . A 92 ALA CA . 11525 1 1151 . 1 1 92 92 ALA CB C 13 18.614 0.248 . 1 . . . A 92 ALA CB . 11525 1 1152 . 1 1 92 92 ALA N N 15 124.047 0.02 . 1 . . . A 92 ALA N . 11525 1 1153 . 1 1 93 93 TRP H H 1 7.628 0.002 . 1 . . . A 93 TRP H . 11525 1 1154 . 1 1 93 93 TRP HA H 1 4.581 0.002 . 1 . . . A 93 TRP HA . 11525 1 1155 . 1 1 93 93 TRP HB2 H 1 3.218 0.019 . 1 . . . A 93 TRP HB2 . 11525 1 1156 . 1 1 93 93 TRP HB3 H 1 3.456 0.021 . 1 . . . A 93 TRP HB3 . 11525 1 1157 . 1 1 93 93 TRP HD1 H 1 7.319 0.007 . 1 . . . A 93 TRP HD1 . 11525 1 1158 . 1 1 93 93 TRP HE1 H 1 10.512 0.005 . 1 . . . A 93 TRP HE1 . 11525 1 1159 . 1 1 93 93 TRP HE3 H 1 7.704 0.02 . 1 . . . A 93 TRP HE3 . 11525 1 1160 . 1 1 93 93 TRP HZ2 H 1 7.503 0.009 . 1 . . . A 93 TRP HZ2 . 11525 1 1161 . 1 1 93 93 TRP HZ3 H 1 7.173 0.003 . 1 . . . A 93 TRP HZ3 . 11525 1 1162 . 1 1 93 93 TRP HH2 H 1 7.239 0.006 . 1 . . . A 93 TRP HH2 . 11525 1 1163 . 1 1 93 93 TRP C C 13 176.186 0.024 . 1 . . . A 93 TRP C . 11525 1 1164 . 1 1 93 93 TRP CA C 13 57.851 0.143 . 1 . . . A 93 TRP CA . 11525 1 1165 . 1 1 93 93 TRP CB C 13 29.748 0.397 . 1 . . . A 93 TRP CB . 11525 1 1166 . 1 1 93 93 TRP CD1 C 13 127.183 0.138 . 1 . . . A 93 TRP CD1 . 11525 1 1167 . 1 1 93 93 TRP CE3 C 13 120.900 0.234 . 1 . . . A 93 TRP CE3 . 11525 1 1168 . 1 1 93 93 TRP CZ2 C 13 114.781 0.141 . 1 . . . A 93 TRP CZ2 . 11525 1 1169 . 1 1 93 93 TRP CZ3 C 13 122.055 0.1 . 1 . . . A 93 TRP CZ3 . 11525 1 1170 . 1 1 93 93 TRP CH2 C 13 124.583 0.191 . 1 . . . A 93 TRP CH2 . 11525 1 1171 . 1 1 93 93 TRP N N 15 118.194 0.024 . 1 . . . A 93 TRP N . 11525 1 1172 . 1 1 93 93 TRP NE1 N 15 129.666 0.2 . 1 . . . A 93 TRP NE1 . 11525 1 1173 . 1 1 94 94 SER H H 1 8.007 0.004 . 1 . . . A 94 SER H . 11525 1 1174 . 1 1 94 94 SER HA H 1 4.331 0.002 . 1 . . . A 94 SER HA . 11525 1 1175 . 1 1 94 94 SER HB2 H 1 3.968 0.012 . 2 . . . A 94 SER HB2 . 11525 1 1176 . 1 1 94 94 SER HB3 H 1 3.968 0.012 . 2 . . . A 94 SER HB3 . 11525 1 1177 . 1 1 94 94 SER C C 13 174.249 0.1 . 1 . . . A 94 SER C . 11525 1 1178 . 1 1 94 94 SER CA C 13 58.948 0.046 . 1 . . . A 94 SER CA . 11525 1 1179 . 1 1 94 94 SER CB C 13 63.167 0.164 . 1 . . . A 94 SER CB . 11525 1 1180 . 1 1 94 94 SER N N 15 114.523 0.2 . 1 . . . A 94 SER N . 11525 1 1181 . 1 1 95 95 LEU H H 1 7.950 0.003 . 1 . . . A 95 LEU H . 11525 1 1182 . 1 1 95 95 LEU HA H 1 4.433 0.014 . 1 . . . A 95 LEU HA . 11525 1 1183 . 1 1 95 95 LEU HB2 H 1 1.693 0.02 . 2 . . . A 95 LEU HB2 . 11525 1 1184 . 1 1 95 95 LEU HB3 H 1 1.693 0.02 . 2 . . . A 95 LEU HB3 . 11525 1 1185 . 1 1 95 95 LEU HG H 1 1.724 0.02 . 1 . . . A 95 LEU HG . 11525 1 1186 . 1 1 95 95 LEU HD11 H 1 0.981 0.043 . 1 . . . A 95 LEU HD11 . 11525 1 1187 . 1 1 95 95 LEU HD12 H 1 0.981 0.043 . 1 . . . A 95 LEU HD12 . 11525 1 1188 . 1 1 95 95 LEU HD13 H 1 0.981 0.043 . 1 . . . A 95 LEU HD13 . 11525 1 1189 . 1 1 95 95 LEU HD21 H 1 0.940 0.01 . 1 . . . A 95 LEU HD21 . 11525 1 1190 . 1 1 95 95 LEU HD22 H 1 0.940 0.01 . 1 . . . A 95 LEU HD22 . 11525 1 1191 . 1 1 95 95 LEU HD23 H 1 0.940 0.01 . 1 . . . A 95 LEU HD23 . 11525 1 1192 . 1 1 95 95 LEU C C 13 177.195 0.006 . 1 . . . A 95 LEU C . 11525 1 1193 . 1 1 95 95 LEU CA C 13 54.946 0.158 . 1 . . . A 95 LEU CA . 11525 1 1194 . 1 1 95 95 LEU CB C 13 42.115 0.188 . 1 . . . A 95 LEU CB . 11525 1 1195 . 1 1 95 95 LEU CG C 13 27.100 0.1 . 1 . . . A 95 LEU CG . 11525 1 1196 . 1 1 95 95 LEU CD1 C 13 23.388 0.1 . 1 . . . A 95 LEU CD1 . 11525 1 1197 . 1 1 95 95 LEU CD2 C 13 24.963 0.885 . 1 . . . A 95 LEU CD2 . 11525 1 1198 . 1 1 95 95 LEU N N 15 122.161 0.006 . 1 . . . A 95 LEU N . 11525 1 1199 . 1 1 96 96 ARG H H 1 8.283 0.003 . 1 . . . A 96 ARG H . 11525 1 1200 . 1 1 96 96 ARG HA H 1 4.312 0.011 . 1 . . . A 96 ARG HA . 11525 1 1201 . 1 1 96 96 ARG HB2 H 1 1.790 0.02 . 2 . . . A 96 ARG HB2 . 11525 1 1202 . 1 1 96 96 ARG HB3 H 1 1.790 0.02 . 2 . . . A 96 ARG HB3 . 11525 1 1203 . 1 1 96 96 ARG HG2 H 1 1.900 0.013 . 2 . . . A 96 ARG HG2 . 11525 1 1204 . 1 1 96 96 ARG HG3 H 1 1.900 0.013 . 2 . . . A 96 ARG HG3 . 11525 1 1205 . 1 1 96 96 ARG HD2 H 1 3.295 0.02 . 2 . . . A 96 ARG HD2 . 11525 1 1206 . 1 1 96 96 ARG HD3 H 1 3.295 0.02 . 2 . . . A 96 ARG HD3 . 11525 1 1207 . 1 1 96 96 ARG C C 13 175.415 0.004 . 1 . . . A 96 ARG C . 11525 1 1208 . 1 1 96 96 ARG CA C 13 56.195 0.029 . 1 . . . A 96 ARG CA . 11525 1 1209 . 1 1 96 96 ARG CB C 13 30.973 0.172 . 1 . . . A 96 ARG CB . 11525 1 1210 . 1 1 96 96 ARG CG C 13 27.204 0.428 . 1 . . . A 96 ARG CG . 11525 1 1211 . 1 1 96 96 ARG CD C 13 43.246 0.1 . 1 . . . A 96 ARG CD . 11525 1 1212 . 1 1 96 96 ARG N N 15 122.604 0.004 . 1 . . . A 96 ARG N . 11525 1 1213 . 1 1 97 97 GLU H H 1 8.070 0.002 . 1 . . . A 97 GLU H . 11525 1 1214 . 1 1 97 97 GLU HA H 1 4.092 0.02 . 1 . . . A 97 GLU HA . 11525 1 1215 . 1 1 97 97 GLU HB2 H 1 1.894 0.02 . 2 . . . A 97 GLU HB2 . 11525 1 1216 . 1 1 97 97 GLU HB3 H 1 1.894 0.02 . 2 . . . A 97 GLU HB3 . 11525 1 1217 . 1 1 97 97 GLU HG2 H 1 2.233 0.009 . 2 . . . A 97 GLU HG2 . 11525 1 1218 . 1 1 97 97 GLU HG3 H 1 2.233 0.009 . 2 . . . A 97 GLU HG3 . 11525 1 1219 . 1 1 97 97 GLU C C 13 180.862 0.1 . 1 . . . A 97 GLU C . 11525 1 1220 . 1 1 97 97 GLU CA C 13 58.093 0.229 . 1 . . . A 97 GLU CA . 11525 1 1221 . 1 1 97 97 GLU CB C 13 31.166 0.1 . 1 . . . A 97 GLU CB . 11525 1 1222 . 1 1 97 97 GLU CG C 13 36.091 0.1 . 1 . . . A 97 GLU CG . 11525 1 1223 . 1 1 97 97 GLU N N 15 127.110 0.2 . 1 . . . A 97 GLU N . 11525 1 1224 . 1 1 98 98 TRP HD1 H 1 7.413 0.02 . 1 . . . A 98 TRP HD1 . 11525 1 1225 . 1 1 98 98 TRP HE1 H 1 10.282 0.02 . 1 . . . A 98 TRP HE1 . 11525 1 1226 . 1 1 98 98 TRP HE3 H 1 7.652 0.005 . 1 . . . A 98 TRP HE3 . 11525 1 1227 . 1 1 98 98 TRP HZ2 H 1 7.377 0.02 . 1 . . . A 98 TRP HZ2 . 11525 1 1228 . 1 1 98 98 TRP CD1 C 13 127.624 0.1 . 1 . . . A 98 TRP CD1 . 11525 1 1229 . 1 1 98 98 TRP CE3 C 13 120.959 0.1 . 1 . . . A 98 TRP CE3 . 11525 1 1230 . 1 1 98 98 TRP CZ2 C 13 114.728 0.1 . 1 . . . A 98 TRP CZ2 . 11525 1 1231 . 1 1 98 98 TRP NE1 N 15 129.516 0.2 . 1 . . . A 98 TRP NE1 . 11525 1 stop_ save_