data_16050 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16050 _Entry.Title ; Ca-S100A1 interacting with TRTK12 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-02 _Entry.Accession_date 2008-12-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Nathan Wright . T. . 16050 2 Kristen Varney . M. . 16050 3 Brian Cannon . R. . 16050 4 Michael Morgan . . . 16050 5 David Weber . J. . 16050 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CapZ . 16050 'conformational change' . 16050 EF-hand . 16050 'Protein-protein interaction' . 16050 S100 . 16050 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16050 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 369 16050 '15N chemical shifts' 93 16050 '1H chemical shifts' 668 16050 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-05-27 2008-12-02 update BMRB 'edit entity/assembly name' 16050 2 . . 2009-05-21 2008-12-02 update BMRB 'complete entry citation' 16050 1 . . 2009-04-04 2008-12-02 original author 'original release' 16050 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1ZFS . 16050 PDB 2K2F . 16050 PDB 2KBM 'BMRB Entry Tracking System' 16050 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16050 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19452629 _Citation.Full_citation . _Citation.Title 'Solution structure of S100A1 bound to the CapZ peptide (TRTK12)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 386 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1265 _Citation.Page_last 1277 _Citation.Year 2009 _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 Nathan Wright . T. . 16050 1 2 Brian Cannon . R. . 16050 1 3 P. Wilder . T. . 16050 1 4 Michael Morgan . T. . 16050 1 5 Kristen Varney . M. . 16050 1 6 D. Zimmer . B. . 16050 1 7 David Weber . J. . 16050 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16050 _Assembly.ID 1 _Assembly.Name 'Ca-S100A1 and TRTK12' _Assembly.BMRB_code . _Assembly.Number_of_components 7 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1_1 1 $entity_1 A . yes native no no . . . 16050 1 2 entity_1_2 1 $entity_1 B . yes native no no . . . 16050 1 3 entity_2_1 2 $entity_2 C . yes native no no . . . 16050 1 4 entity_2_2 2 $entity_2 D . yes native no no . . . 16050 1 5 'CALCIUM ION_1' 3 $CA E . no native no no . . . 16050 1 6 'CALCIUM ION_2' 3 $CA F . no native no no . . . 16050 1 7 'CALCIUM ION_3' 3 $CA G . no native no no . . . 16050 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 16050 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100A1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSELETAMETLINVFHAHSG KEGDKYKLSKKELKDLLQTE LSSFLDVQKDADAVDKIMKE LDENGDGEVDFQEFVVLVAA LTVACNNFFWENS ; _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 93 _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 10439.711 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15296 . S100A1-RyR . . . . . 100.00 94 100.00 100.00 2.69e-58 . . . . 16050 1 2 no BMRB 4285 . S100A . . . . . 100.00 94 100.00 100.00 2.69e-58 . . . . 16050 1 3 no PDB 1K2H . "Three-Dimensional Solution Structure Of Apo-S100a1." . . . . . 100.00 93 100.00 100.00 2.78e-58 . . . . 16050 1 4 no PDB 1ZFS . "Solution Structure Of S100a1 Bound To Calcium" . . . . . 100.00 93 100.00 100.00 2.78e-58 . . . . 16050 1 5 no PDB 2K2F . "Solution Structure Of Ca2+-S100a1-Ryrp12" . . . . . 100.00 93 100.00 100.00 2.78e-58 . . . . 16050 1 6 no PDB 2KBM . "Ca-S100a1 Interacting With Trtk12" . . . . . 100.00 93 100.00 100.00 2.78e-58 . . . . 16050 1 7 no GB AAB20539 . "S100 alpha, partial [Rattus sp.]" . . . . . 90.32 84 97.62 100.00 1.13e-50 . . . . 16050 1 8 no GB AAB53657 . "S100A1 protein [Rattus norvegicus]" . . . . . 100.00 94 100.00 100.00 2.69e-58 . . . . 16050 1 9 no GB EDM00555 . "rCG62688, isoform CRA_b [Rattus norvegicus]" . . . . . 100.00 94 100.00 100.00 2.69e-58 . . . . 16050 1 10 no REF NP_001007637 . "protein S100-A1 [Rattus norvegicus]" . . . . . 100.00 94 100.00 100.00 2.69e-58 . . . . 16050 1 11 no REF XP_006232665 . "PREDICTED: protein S100-A1 isoform X1 [Rattus norvegicus]" . . . . . 100.00 94 100.00 100.00 2.69e-58 . . . . 16050 1 12 no SP P35467 . "RecName: Full=Protein S100-A1; AltName: Full=S-100 protein alpha chain; AltName: Full=S-100 protein subunit alpha; AltName: Ful" . . . . . 100.00 94 100.00 100.00 2.69e-58 . . . . 16050 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16050 1 2 . SER . 16050 1 3 . GLU . 16050 1 4 . LEU . 16050 1 5 . GLU . 16050 1 6 . THR . 16050 1 7 . ALA . 16050 1 8 . MET . 16050 1 9 . GLU . 16050 1 10 . THR . 16050 1 11 . LEU . 16050 1 12 . ILE . 16050 1 13 . ASN . 16050 1 14 . VAL . 16050 1 15 . PHE . 16050 1 16 . HIS . 16050 1 17 . ALA . 16050 1 18 . HIS . 16050 1 19 . SER . 16050 1 20 . GLY . 16050 1 21 . LYS . 16050 1 22 . GLU . 16050 1 23 . GLY . 16050 1 24 . ASP . 16050 1 25 . LYS . 16050 1 26 . TYR . 16050 1 27 . LYS . 16050 1 28 . LEU . 16050 1 29 . SER . 16050 1 30 . LYS . 16050 1 31 . LYS . 16050 1 32 . GLU . 16050 1 33 . LEU . 16050 1 34 . LYS . 16050 1 35 . ASP . 16050 1 36 . LEU . 16050 1 37 . LEU . 16050 1 38 . GLN . 16050 1 39 . THR . 16050 1 40 . GLU . 16050 1 41 . LEU . 16050 1 42 . SER . 16050 1 43 . SER . 16050 1 44 . PHE . 16050 1 45 . LEU . 16050 1 46 . ASP . 16050 1 47 . VAL . 16050 1 48 . GLN . 16050 1 49 . LYS . 16050 1 50 . ASP . 16050 1 51 . ALA . 16050 1 52 . ASP . 16050 1 53 . ALA . 16050 1 54 . VAL . 16050 1 55 . ASP . 16050 1 56 . LYS . 16050 1 57 . ILE . 16050 1 58 . MET . 16050 1 59 . LYS . 16050 1 60 . GLU . 16050 1 61 . LEU . 16050 1 62 . ASP . 16050 1 63 . GLU . 16050 1 64 . ASN . 16050 1 65 . GLY . 16050 1 66 . ASP . 16050 1 67 . GLY . 16050 1 68 . GLU . 16050 1 69 . VAL . 16050 1 70 . ASP . 16050 1 71 . PHE . 16050 1 72 . GLN . 16050 1 73 . GLU . 16050 1 74 . PHE . 16050 1 75 . VAL . 16050 1 76 . VAL . 16050 1 77 . LEU . 16050 1 78 . VAL . 16050 1 79 . ALA . 16050 1 80 . ALA . 16050 1 81 . LEU . 16050 1 82 . THR . 16050 1 83 . VAL . 16050 1 84 . ALA . 16050 1 85 . CYS . 16050 1 86 . ASN . 16050 1 87 . ASN . 16050 1 88 . PHE . 16050 1 89 . PHE . 16050 1 90 . TRP . 16050 1 91 . GLU . 16050 1 92 . ASN . 16050 1 93 . SER . 16050 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16050 1 . SER 2 2 16050 1 . GLU 3 3 16050 1 . LEU 4 4 16050 1 . GLU 5 5 16050 1 . THR 6 6 16050 1 . ALA 7 7 16050 1 . MET 8 8 16050 1 . GLU 9 9 16050 1 . THR 10 10 16050 1 . LEU 11 11 16050 1 . ILE 12 12 16050 1 . ASN 13 13 16050 1 . VAL 14 14 16050 1 . PHE 15 15 16050 1 . HIS 16 16 16050 1 . ALA 17 17 16050 1 . HIS 18 18 16050 1 . SER 19 19 16050 1 . GLY 20 20 16050 1 . LYS 21 21 16050 1 . GLU 22 22 16050 1 . GLY 23 23 16050 1 . ASP 24 24 16050 1 . LYS 25 25 16050 1 . TYR 26 26 16050 1 . LYS 27 27 16050 1 . LEU 28 28 16050 1 . SER 29 29 16050 1 . LYS 30 30 16050 1 . LYS 31 31 16050 1 . GLU 32 32 16050 1 . LEU 33 33 16050 1 . LYS 34 34 16050 1 . ASP 35 35 16050 1 . LEU 36 36 16050 1 . LEU 37 37 16050 1 . GLN 38 38 16050 1 . THR 39 39 16050 1 . GLU 40 40 16050 1 . LEU 41 41 16050 1 . SER 42 42 16050 1 . SER 43 43 16050 1 . PHE 44 44 16050 1 . LEU 45 45 16050 1 . ASP 46 46 16050 1 . VAL 47 47 16050 1 . GLN 48 48 16050 1 . LYS 49 49 16050 1 . ASP 50 50 16050 1 . ALA 51 51 16050 1 . ASP 52 52 16050 1 . ALA 53 53 16050 1 . VAL 54 54 16050 1 . ASP 55 55 16050 1 . LYS 56 56 16050 1 . ILE 57 57 16050 1 . MET 58 58 16050 1 . LYS 59 59 16050 1 . GLU 60 60 16050 1 . LEU 61 61 16050 1 . ASP 62 62 16050 1 . GLU 63 63 16050 1 . ASN 64 64 16050 1 . GLY 65 65 16050 1 . ASP 66 66 16050 1 . GLY 67 67 16050 1 . GLU 68 68 16050 1 . VAL 69 69 16050 1 . ASP 70 70 16050 1 . PHE 71 71 16050 1 . GLN 72 72 16050 1 . GLU 73 73 16050 1 . PHE 74 74 16050 1 . VAL 75 75 16050 1 . VAL 76 76 16050 1 . LEU 77 77 16050 1 . VAL 78 78 16050 1 . ALA 79 79 16050 1 . ALA 80 80 16050 1 . LEU 81 81 16050 1 . THR 82 82 16050 1 . VAL 83 83 16050 1 . ALA 84 84 16050 1 . CYS 85 85 16050 1 . ASN 86 86 16050 1 . ASN 87 87 16050 1 . PHE 88 88 16050 1 . PHE 89 89 16050 1 . TRP 90 90 16050 1 . GLU 91 91 16050 1 . ASN 92 92 16050 1 . SER 93 93 16050 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 16050 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name TRTK12 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID Y _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code TRTKIDWNKILS _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 12 _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 1477.742 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . THR . 16050 2 2 . ARG . 16050 2 3 . THR . 16050 2 4 . LYS . 16050 2 5 . ILE . 16050 2 6 . ASP . 16050 2 7 . TRP . 16050 2 8 . ASN . 16050 2 9 . LYS . 16050 2 10 . ILE . 16050 2 11 . LEU . 16050 2 12 . SER . 16050 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . THR 1 1 16050 2 . ARG 2 2 16050 2 . THR 3 3 16050 2 . LYS 4 4 16050 2 . ILE 5 5 16050 2 . ASP 6 6 16050 2 . TRP 7 7 16050 2 . ASN 8 8 16050 2 . LYS 9 9 16050 2 . ILE 10 10 16050 2 . LEU 11 11 16050 2 . SER 12 12 16050 2 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 16050 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . CA . 16050 3 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 16050 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 16050 1 2 2 $entity_2 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 16050 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 16050 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet21a . . . . . . 16050 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet21a . . . . . . 16050 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 16050 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code CA _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Ca++] SMILES CACTVS 3.341 16050 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 16050 CA [Ca+2] SMILES ACDLabs 10.04 16050 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 16050 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16050 CA InChI=1/Ca/q+2 InChI InChI 1.01 16050 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 16050 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16050 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . N . 2 . . . . no no . . . . . . . . . . . . . . . 16050 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16050 _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 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16050 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16050 1 3 'CALCIUM ION' 'natural abundance' . . . . . . 10 . . mM . . . . 16050 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16050 1 5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 16050 1 6 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 16050 1 7 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 16050 1 8 entity_2 'natural abundance' . . 2 $entity_2 . . 1500 . . uM . . . . 16050 1 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 16050 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 16050 1 pH 7.2 . pH 16050 1 pressure 1 . atm 16050 1 temperature 310 . K 16050 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16050 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16050 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16050 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16050 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16050 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16050 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'with cryoprobe' . . 16050 1 2 spectrometer_2 Bruker Avance . 600 'with cryoprobe' . . 16050 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 16050 _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 . . . . . . . . . . . . . . . . . . . . . 16050 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16050 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16050 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16050 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16050 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16050 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16050 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16050 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16050 1 10 IPAP-HSQC no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16050 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 16050 _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 TSP 'methyl protons' . . . . ppm 0 external indirect 0.25144953 . . . . . . . . . 16050 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1.00 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 16050 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.10132905 . . . . . . . . . 16050 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 16050 _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' . . . 16050 1 2 '3D CBCA(CO)NH' . . . 16050 1 3 '3D HNCACB' . . . 16050 1 4 '3D C(CO)NH' . . . 16050 1 6 '3D HNCO' . . . 16050 1 7 '3D HNCA' . . . 16050 1 8 '3D HNHA' . . . 16050 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.496 0.02 . 1 . . . . 1 GLY H . 16050 1 2 . 1 1 1 1 GLY C C 13 174.29 0.1 . 1 . . . . 1 GLY C . 16050 1 3 . 1 1 1 1 GLY CA C 13 44.99 0.1 . 1 . . . . 1 GLY CA . 16050 1 4 . 1 1 1 1 GLY N N 15 111.29 0.1 . 1 . . . . 1 GLY N . 16050 1 5 . 1 1 2 2 SER H H 1 9 0.02 . 1 . . . . 2 SER H . 16050 1 6 . 1 1 2 2 SER HA H 1 4.69 0.02 . 1 . . . . 2 SER HA . 16050 1 7 . 1 1 2 2 SER HB2 H 1 4.06 0.02 . 2 . . . . 2 SER HB2 . 16050 1 8 . 1 1 2 2 SER HB3 H 1 4.06 0.02 . 2 . . . . 2 SER HB3 . 16050 1 9 . 1 1 2 2 SER C C 13 176.17 0.1 . 1 . . . . 2 SER C . 16050 1 10 . 1 1 2 2 SER CA C 13 57.34 0.1 . 1 . . . . 2 SER CA . 16050 1 11 . 1 1 2 2 SER CB C 13 65.55 0.1 . 1 . . . . 2 SER CB . 16050 1 12 . 1 1 2 2 SER N N 15 119.33 0.1 . 1 . . . . 2 SER N . 16050 1 13 . 1 1 3 3 GLU H H 1 9.35 0.02 . 1 . . . . 3 GLU H . 16050 1 14 . 1 1 3 3 GLU HA H 1 4.06 0.02 . 1 . . . . 3 GLU HA . 16050 1 15 . 1 1 3 3 GLU HB2 H 1 2.02 0.02 . 2 . . . . 3 GLU HB2 . 16050 1 16 . 1 1 3 3 GLU HB3 H 1 2.02 0.02 . 2 . . . . 3 GLU HB3 . 16050 1 17 . 1 1 3 3 GLU C C 13 180.15 0.1 . 1 . . . . 3 GLU C . 16050 1 18 . 1 1 3 3 GLU CA C 13 60.28 0.1 . 1 . . . . 3 GLU CA . 16050 1 19 . 1 1 3 3 GLU CB C 13 29.23 0.1 . 1 . . . . 3 GLU CB . 16050 1 20 . 1 1 3 3 GLU CG C 13 37.14 0.1 . 1 . . . . 3 GLU CG . 16050 1 21 . 1 1 3 3 GLU N N 15 125.35 0.1 . 1 . . . . 3 GLU N . 16050 1 22 . 1 1 4 4 LEU H H 1 9.06 0.02 . 1 . . . . 4 LEU H . 16050 1 23 . 1 1 4 4 LEU HA H 1 4.08 0.02 . 1 . . . . 4 LEU HA . 16050 1 24 . 1 1 4 4 LEU HB2 H 1 1.89 0.02 . 2 . . . . 4 LEU HB2 . 16050 1 25 . 1 1 4 4 LEU HB3 H 1 1.89 0.02 . 2 . . . . 4 LEU HB3 . 16050 1 26 . 1 1 4 4 LEU HD11 H 1 0.96 0.02 . 2 . . . . 4 LEU MD1 . 16050 1 27 . 1 1 4 4 LEU HD12 H 1 0.96 0.02 . 2 . . . . 4 LEU MD1 . 16050 1 28 . 1 1 4 4 LEU HD13 H 1 0.96 0.02 . 2 . . . . 4 LEU MD1 . 16050 1 29 . 1 1 4 4 LEU HD21 H 1 0.8 0.02 . 2 . . . . 4 LEU MD2 . 16050 1 30 . 1 1 4 4 LEU HD22 H 1 0.8 0.02 . 2 . . . . 4 LEU MD2 . 16050 1 31 . 1 1 4 4 LEU HD23 H 1 0.8 0.02 . 2 . . . . 4 LEU MD2 . 16050 1 32 . 1 1 4 4 LEU HG H 1 1.71 0.02 . 1 . . . . 4 LEU HG . 16050 1 33 . 1 1 4 4 LEU C C 13 177.89 0.1 . 1 . . . . 4 LEU C . 16050 1 34 . 1 1 4 4 LEU CA C 13 58.09 0.1 . 1 . . . . 4 LEU CA . 16050 1 35 . 1 1 4 4 LEU CB C 13 42.12 0.1 . 1 . . . . 4 LEU CB . 16050 1 36 . 1 1 4 4 LEU CD1 C 13 25.42 0.1 . 2 . . . . 4 LEU CD1 . 16050 1 37 . 1 1 4 4 LEU CD2 C 13 24.37 0.1 . 2 . . . . 4 LEU CD2 . 16050 1 38 . 1 1 4 4 LEU CG C 13 27.06 0.1 . 1 . . . . 4 LEU CG . 16050 1 39 . 1 1 4 4 LEU N N 15 121.09 0.1 . 1 . . . . 4 LEU N . 16050 1 40 . 1 1 5 5 GLU H H 1 8.34 0.02 . 1 . . . . 5 GLU H . 16050 1 41 . 1 1 5 5 GLU HA H 1 4.05 0.02 . 1 . . . . 5 GLU HA . 16050 1 42 . 1 1 5 5 GLU HB2 H 1 2 0.02 . 2 . . . . 5 GLU HB2 . 16050 1 43 . 1 1 5 5 GLU HB3 H 1 2 0.02 . 2 . . . . 5 GLU HB3 . 16050 1 44 . 1 1 5 5 GLU HG2 H 1 2.68 0.02 . 2 . . . . 5 GLU HG2 . 16050 1 45 . 1 1 5 5 GLU HG3 H 1 2.68 0.02 . 2 . . . . 5 GLU HG3 . 16050 1 46 . 1 1 5 5 GLU C C 13 177.03 0.1 . 1 . . . . 5 GLU C . 16050 1 47 . 1 1 5 5 GLU CA C 13 59.84 0.1 . 1 . . . . 5 GLU CA . 16050 1 48 . 1 1 5 5 GLU CB C 13 28.94 0.1 . 1 . . . . 5 GLU CB . 16050 1 49 . 1 1 5 5 GLU CG C 13 36.27 0.1 . 1 . . . . 5 GLU CG . 16050 1 50 . 1 1 5 5 GLU N N 15 119.78 0.1 . 1 . . . . 5 GLU N . 16050 1 51 . 1 1 6 6 THR H H 1 8.37 0.02 . 1 . . . . 6 THR H . 16050 1 52 . 1 1 6 6 THR HA H 1 4.31 0.02 . 1 . . . . 6 THR HA . 16050 1 53 . 1 1 6 6 THR HB H 1 4.61 0.02 . 1 . . . . 6 THR HB . 16050 1 54 . 1 1 6 6 THR HG21 H 1 1.21 0.02 . 1 . . . . 6 THR MG . 16050 1 55 . 1 1 6 6 THR HG22 H 1 1.21 0.02 . 1 . . . . 6 THR MG . 16050 1 56 . 1 1 6 6 THR HG23 H 1 1.21 0.02 . 1 . . . . 6 THR MG . 16050 1 57 . 1 1 6 6 THR C C 13 177.34 0.1 . 1 . . . . 6 THR C . 16050 1 58 . 1 1 6 6 THR CA C 13 66.63 0.1 . 1 . . . . 6 THR CA . 16050 1 59 . 1 1 6 6 THR CB C 13 68.65 0.1 . 1 . . . . 6 THR CB . 16050 1 60 . 1 1 6 6 THR CG2 C 13 21.79 0.1 . 1 . . . . 6 THR CG2 . 16050 1 61 . 1 1 6 6 THR N N 15 116.94 0.1 . 1 . . . . 6 THR N . 16050 1 62 . 1 1 7 7 ALA H H 1 8.27 0.02 . 1 . . . . 7 ALA H . 16050 1 63 . 1 1 7 7 ALA HA H 1 4.19 0.02 . 1 . . . . 7 ALA HA . 16050 1 64 . 1 1 7 7 ALA HB1 H 1 1.6 0.02 . 1 . . . . 7 ALA MB . 16050 1 65 . 1 1 7 7 ALA HB2 H 1 1.6 0.02 . 1 . . . . 7 ALA MB . 16050 1 66 . 1 1 7 7 ALA HB3 H 1 1.6 0.02 . 1 . . . . 7 ALA MB . 16050 1 67 . 1 1 7 7 ALA C C 13 179.76 0.1 . 1 . . . . 7 ALA C . 16050 1 68 . 1 1 7 7 ALA CA C 13 55.88 0.1 . 1 . . . . 7 ALA CA . 16050 1 69 . 1 1 7 7 ALA CB C 13 17.72 0.1 . 1 . . . . 7 ALA CB . 16050 1 70 . 1 1 7 7 ALA N N 15 127.4 0.1 . 1 . . . . 7 ALA N . 16050 1 71 . 1 1 8 8 MET H H 1 8.11 0.02 . 1 . . . . 8 MET H . 16050 1 72 . 1 1 8 8 MET HA H 1 4.02 0.02 . 1 . . . . 8 MET HA . 16050 1 73 . 1 1 8 8 MET HB2 H 1 2.8 0.02 . 2 . . . . 8 MET HB2 . 16050 1 74 . 1 1 8 8 MET HB3 H 1 2.8 0.02 . 2 . . . . 8 MET HB3 . 16050 1 75 . 1 1 8 8 MET HE1 H 1 2 0.02 . 1 . . . . 8 MET ME . 16050 1 76 . 1 1 8 8 MET HE2 H 1 2 0.02 . 1 . . . . 8 MET ME . 16050 1 77 . 1 1 8 8 MET HE3 H 1 2 0.02 . 1 . . . . 8 MET ME . 16050 1 78 . 1 1 8 8 MET HG2 H 1 2.74 0.02 . 2 . . . . 8 MET HG2 . 16050 1 79 . 1 1 8 8 MET HG3 H 1 2.74 0.02 . 2 . . . . 8 MET HG3 . 16050 1 80 . 1 1 8 8 MET C C 13 178.51 0.1 . 1 . . . . 8 MET C . 16050 1 81 . 1 1 8 8 MET CA C 13 60.58 0.1 . 1 . . . . 8 MET CA . 16050 1 82 . 1 1 8 8 MET CB C 13 33.63 0.1 . 1 . . . . 8 MET CB . 16050 1 83 . 1 1 8 8 MET CE C 13 17.69 0.1 . 1 . . . . 8 MET CE . 16050 1 84 . 1 1 8 8 MET CG C 13 31.63 0.1 . 1 . . . . 8 MET CG . 16050 1 85 . 1 1 8 8 MET N N 15 117.52 0.1 . 1 . . . . 8 MET N . 16050 1 86 . 1 1 9 9 GLU H H 1 8.21 0.02 . 1 . . . . 9 GLU H . 16050 1 87 . 1 1 9 9 GLU HA H 1 3.83 0.02 . 1 . . . . 9 GLU HA . 16050 1 88 . 1 1 9 9 GLU HB2 H 1 2.18 0.02 . 2 . . . . 9 GLU HB2 . 16050 1 89 . 1 1 9 9 GLU HB3 H 1 2.18 0.02 . 2 . . . . 9 GLU HB3 . 16050 1 90 . 1 1 9 9 GLU HG2 H 1 2.39 0.02 . 2 . . . . 9 GLU HG2 . 16050 1 91 . 1 1 9 9 GLU HG3 H 1 2.39 0.02 . 2 . . . . 9 GLU HG3 . 16050 1 92 . 1 1 9 9 GLU C C 13 179.14 0.1 . 1 . . . . 9 GLU C . 16050 1 93 . 1 1 9 9 GLU CA C 13 59.69 0.1 . 1 . . . . 9 GLU CA . 16050 1 94 . 1 1 9 9 GLU CB C 13 29.53 0.1 . 1 . . . . 9 GLU CB . 16050 1 95 . 1 1 9 9 GLU CG C 13 37.14 0.1 . 1 . . . . 9 GLU CG . 16050 1 96 . 1 1 9 9 GLU N N 15 118.56 0.1 . 1 . . . . 9 GLU N . 16050 1 97 . 1 1 10 10 THR H H 1 8.49 0.02 . 1 . . . . 10 THR H . 16050 1 98 . 1 1 10 10 THR HA H 1 4 0.02 . 1 . . . . 10 THR HA . 16050 1 99 . 1 1 10 10 THR HB H 1 4.61 0.02 . 1 . . . . 10 THR HB . 16050 1 100 . 1 1 10 10 THR HG21 H 1 1.18 0.02 . 1 . . . . 10 THR MG . 16050 1 101 . 1 1 10 10 THR HG22 H 1 1.18 0.02 . 1 . . . . 10 THR MG . 16050 1 102 . 1 1 10 10 THR HG23 H 1 1.18 0.02 . 1 . . . . 10 THR MG . 16050 1 103 . 1 1 10 10 THR C C 13 176.01 0.1 . 1 . . . . 10 THR C . 16050 1 104 . 1 1 10 10 THR CA C 13 67.11 0.1 . 1 . . . . 10 THR CA . 16050 1 105 . 1 1 10 10 THR CB C 13 67.77 0.1 . 1 . . . . 10 THR CB . 16050 1 106 . 1 1 10 10 THR CG2 C 13 22.38 0.1 . 1 . . . . 10 THR CG2 . 16050 1 107 . 1 1 10 10 THR N N 15 118.31 0.1 . 1 . . . . 10 THR N . 16050 1 108 . 1 1 11 11 LEU H H 1 7.92 0.02 . 1 . . . . 11 LEU H . 16050 1 109 . 1 1 11 11 LEU HA H 1 3.93 0.02 . 1 . . . . 11 LEU HA . 16050 1 110 . 1 1 11 11 LEU HB2 H 1 2.18 0.02 . 2 . . . . 11 LEU HB2 . 16050 1 111 . 1 1 11 11 LEU HB3 H 1 2.46 0.02 . 2 . . . . 11 LEU HB3 . 16050 1 112 . 1 1 11 11 LEU HD11 H 1 0.8 0.02 . 2 . . . . 11 LEU MD1 . 16050 1 113 . 1 1 11 11 LEU HD12 H 1 0.8 0.02 . 2 . . . . 11 LEU MD1 . 16050 1 114 . 1 1 11 11 LEU HD13 H 1 0.8 0.02 . 2 . . . . 11 LEU MD1 . 16050 1 115 . 1 1 11 11 LEU HD21 H 1 0.77 0.02 . 2 . . . . 11 LEU MD2 . 16050 1 116 . 1 1 11 11 LEU HD22 H 1 0.77 0.02 . 2 . . . . 11 LEU MD2 . 16050 1 117 . 1 1 11 11 LEU HD23 H 1 0.77 0.02 . 2 . . . . 11 LEU MD2 . 16050 1 118 . 1 1 11 11 LEU HG H 1 1.21 0.02 . 1 . . . . 11 LEU HG . 16050 1 119 . 1 1 11 11 LEU C C 13 178.82 0.1 . 1 . . . . 11 LEU C . 16050 1 120 . 1 1 11 11 LEU CA C 13 59.69 0.1 . 1 . . . . 11 LEU CA . 16050 1 121 . 1 1 11 11 LEU CB C 13 41.92 0.1 . 1 . . . . 11 LEU CB . 16050 1 122 . 1 1 11 11 LEU CD1 C 13 24.25 0.1 . 2 . . . . 11 LEU CD1 . 16050 1 123 . 1 1 11 11 LEU CD2 C 13 24 0.1 . 2 . . . . 11 LEU CD2 . 16050 1 124 . 1 1 11 11 LEU CG C 13 27 0.1 . 1 . . . . 11 LEU CG . 16050 1 125 . 1 1 11 11 LEU N N 15 121.15 0.1 . 1 . . . . 11 LEU N . 16050 1 126 . 1 1 12 12 ILE H H 1 7.44 0.02 . 1 . . . . 12 ILE H . 16050 1 127 . 1 1 12 12 ILE HA H 1 3.64 0.02 . 1 . . . . 12 ILE HA . 16050 1 128 . 1 1 12 12 ILE HB H 1 1.83 0.02 . 1 . . . . 12 ILE HB . 16050 1 129 . 1 1 12 12 ILE HD11 H 1 0.52 0.02 . 1 . . . . 12 ILE MD . 16050 1 130 . 1 1 12 12 ILE HD12 H 1 0.52 0.02 . 1 . . . . 12 ILE MD . 16050 1 131 . 1 1 12 12 ILE HD13 H 1 0.52 0.02 . 1 . . . . 12 ILE MD . 16050 1 132 . 1 1 12 12 ILE HG12 H 1 1.46 0.02 . 2 . . . . 12 ILE HG12 . 16050 1 133 . 1 1 12 12 ILE HG13 H 1 1.46 0.02 . 2 . . . . 12 ILE HG13 . 16050 1 134 . 1 1 12 12 ILE HG21 H 1 0.8 0.02 . 1 . . . . 12 ILE MG . 16050 1 135 . 1 1 12 12 ILE HG22 H 1 0.8 0.02 . 1 . . . . 12 ILE MG . 16050 1 136 . 1 1 12 12 ILE HG23 H 1 0.8 0.02 . 1 . . . . 12 ILE MG . 16050 1 137 . 1 1 12 12 ILE C C 13 179.53 0.1 . 1 . . . . 12 ILE C . 16050 1 138 . 1 1 12 12 ILE CA C 13 63.74 0.1 . 1 . . . . 12 ILE CA . 16050 1 139 . 1 1 12 12 ILE CB C 13 38.8 0.1 . 1 . . . . 12 ILE CB . 16050 1 140 . 1 1 12 12 ILE CD1 C 13 13.82 0.1 . 1 . . . . 12 ILE CD1 . 16050 1 141 . 1 1 12 12 ILE CG1 C 13 33.16 0.1 . 1 . . . . 12 ILE CG1 . 16050 1 142 . 1 1 12 12 ILE CG2 C 13 17.34 0.1 . 1 . . . . 12 ILE CG2 . 16050 1 143 . 1 1 12 12 ILE N N 15 118.01 0.1 . 1 . . . . 12 ILE N . 16050 1 144 . 1 1 13 13 ASN H H 1 8.93 0.02 . 1 . . . . 13 ASN H . 16050 1 145 . 1 1 13 13 ASN HA H 1 4.52 0.02 . 1 . . . . 13 ASN HA . 16050 1 146 . 1 1 13 13 ASN HB2 H 1 2.88 0.02 . 2 . . . . 13 ASN HB2 . 16050 1 147 . 1 1 13 13 ASN HB3 H 1 2.88 0.02 . 2 . . . . 13 ASN HB3 . 16050 1 148 . 1 1 13 13 ASN C C 13 179.45 0.1 . 1 . . . . 13 ASN C . 16050 1 149 . 1 1 13 13 ASN CA C 13 56.47 0.1 . 1 . . . . 13 ASN CA . 16050 1 150 . 1 1 13 13 ASN CB C 13 37.93 0.1 . 1 . . . . 13 ASN CB . 16050 1 151 . 1 1 13 13 ASN N N 15 121.82 0.1 . 1 . . . . 13 ASN N . 16050 1 152 . 1 1 14 14 VAL H H 1 9.18 0.02 . 1 . . . . 14 VAL H . 16050 1 153 . 1 1 14 14 VAL HA H 1 3.83 0.02 . 1 . . . . 14 VAL HA . 16050 1 154 . 1 1 14 14 VAL HB H 1 2.2 0.02 . 1 . . . . 14 VAL HB . 16050 1 155 . 1 1 14 14 VAL HG11 H 1 1.21 0.02 . 2 . . . . 14 VAL MG1 . 16050 1 156 . 1 1 14 14 VAL HG12 H 1 1.21 0.02 . 2 . . . . 14 VAL MG1 . 16050 1 157 . 1 1 14 14 VAL HG13 H 1 1.21 0.02 . 2 . . . . 14 VAL MG1 . 16050 1 158 . 1 1 14 14 VAL HG21 H 1 1.11 0.02 . 2 . . . . 14 VAL MG2 . 16050 1 159 . 1 1 14 14 VAL HG22 H 1 1.11 0.02 . 2 . . . . 14 VAL MG2 . 16050 1 160 . 1 1 14 14 VAL HG23 H 1 1.11 0.02 . 2 . . . . 14 VAL MG2 . 16050 1 161 . 1 1 14 14 VAL CA C 13 65.84 0.1 . 1 . . . . 14 VAL CA . 16050 1 162 . 1 1 14 14 VAL CB C 13 31.29 0.1 . 1 . . . . 14 VAL CB . 16050 1 163 . 1 1 14 14 VAL CG1 C 13 23.2 0.1 . 2 . . . . 14 VAL CG1 . 16050 1 164 . 1 1 14 14 VAL CG2 C 13 21.44 0.1 . 2 . . . . 14 VAL CG2 . 16050 1 165 . 1 1 14 14 VAL N N 15 122.04 0.1 . 1 . . . . 14 VAL N . 16050 1 166 . 1 1 15 15 PHE H H 1 7.59 0.02 . 1 . . . . 15 PHE H . 16050 1 167 . 1 1 15 15 PHE HA H 1 3.36 0.02 . 1 . . . . 15 PHE HA . 16050 1 168 . 1 1 15 15 PHE HB2 H 1 2.93 0.02 . 2 . . . . 15 PHE HB2 . 16050 1 169 . 1 1 15 15 PHE HB3 H 1 2.93 0.02 . 2 . . . . 15 PHE HB3 . 16050 1 170 . 1 1 15 15 PHE C C 13 177.89 0.1 . 1 . . . . 15 PHE C . 16050 1 171 . 1 1 15 15 PHE CA C 13 62.03 0.1 . 1 . . . . 15 PHE CA . 16050 1 172 . 1 1 15 15 PHE CB C 13 38.9 0.1 . 1 . . . . 15 PHE CB . 16050 1 173 . 1 1 15 15 PHE N N 15 118.29 0.1 . 1 . . . . 15 PHE N . 16050 1 174 . 1 1 16 16 HIS H H 1 7.79 0.02 . 1 . . . . 16 HIS H . 16050 1 175 . 1 1 16 16 HIS HA H 1 4.89 0.02 . 1 . . . . 16 HIS HA . 16050 1 176 . 1 1 16 16 HIS HB2 H 1 2.88 0.02 . 2 . . . . 16 HIS HB2 . 16050 1 177 . 1 1 16 16 HIS HB3 H 1 2.88 0.02 . 2 . . . . 16 HIS HB3 . 16050 1 178 . 1 1 16 16 HIS C C 13 177.81 0.1 . 1 . . . . 16 HIS C . 16050 1 179 . 1 1 16 16 HIS CA C 13 59.1 0.1 . 1 . . . . 16 HIS CA . 16050 1 180 . 1 1 16 16 HIS CB C 13 28.06 0.1 . 1 . . . . 16 HIS CB . 16050 1 181 . 1 1 16 16 HIS N N 15 118.29 0.1 . 1 . . . . 16 HIS N . 16050 1 182 . 1 1 17 17 ALA H H 1 8.04 0.02 . 1 . . . . 17 ALA H . 16050 1 183 . 1 1 17 17 ALA HA H 1 4.05 0.02 . 1 . . . . 17 ALA HA . 16050 1 184 . 1 1 17 17 ALA HB1 H 1 1.24 0.02 . 1 . . . . 17 ALA MB . 16050 1 185 . 1 1 17 17 ALA HB2 H 1 1.24 0.02 . 1 . . . . 17 ALA MB . 16050 1 186 . 1 1 17 17 ALA HB3 H 1 1.24 0.02 . 1 . . . . 17 ALA MB . 16050 1 187 . 1 1 17 17 ALA C C 13 179.6 0.1 . 1 . . . . 17 ALA C . 16050 1 188 . 1 1 17 17 ALA CA C 13 54 0.1 . 1 . . . . 17 ALA CA . 16050 1 189 . 1 1 17 17 ALA CB C 13 17.52 0.1 . 1 . . . . 17 ALA CB . 16050 1 190 . 1 1 17 17 ALA N N 15 124.41 0.1 . 1 . . . . 17 ALA N . 16050 1 191 . 1 1 18 18 HIS H H 1 7 0.02 . 1 . . . . 18 HIS H . 16050 1 192 . 1 1 18 18 HIS HA H 1 4.33 0.02 . 1 . . . . 18 HIS HA . 16050 1 193 . 1 1 18 18 HIS HB2 H 1 2.39 0.02 . 2 . . . . 18 HIS HB2 . 16050 1 194 . 1 1 18 18 HIS HB3 H 1 2.8 0.02 . 2 . . . . 18 HIS HB3 . 16050 1 195 . 1 1 18 18 HIS C C 13 176.32 0.1 . 1 . . . . 18 HIS C . 16050 1 196 . 1 1 18 18 HIS CA C 13 57.35 0.1 . 1 . . . . 18 HIS CA . 16050 1 197 . 1 1 18 18 HIS CB C 13 32.92 0.1 . 1 . . . . 18 HIS CB . 16050 1 198 . 1 1 18 18 HIS N N 15 115.16 0.1 . 1 . . . . 18 HIS N . 16050 1 199 . 1 1 19 19 SER H H 1 8.38 0.02 . 1 . . . . 19 SER H . 16050 1 200 . 1 1 19 19 SER HA H 1 3.64 0.02 . 1 . . . . 19 SER HA . 16050 1 201 . 1 1 19 19 SER HB2 H 1 2.99 0.02 . 2 . . . . 19 SER HB2 . 16050 1 202 . 1 1 19 19 SER HB3 H 1 2.99 0.02 . 2 . . . . 19 SER HB3 . 16050 1 203 . 1 1 19 19 SER C C 13 177.34 0.1 . 1 . . . . 19 SER C . 16050 1 204 . 1 1 19 19 SER CA C 13 60.16 0.1 . 1 . . . . 19 SER CA . 16050 1 205 . 1 1 19 19 SER CB C 13 61 0.1 . 1 . . . . 19 SER CB . 16050 1 206 . 1 1 19 19 SER N N 15 114.38 0.1 . 1 . . . . 19 SER N . 16050 1 207 . 1 1 20 20 GLY H H 1 7.6 0.02 . 1 . . . . 20 GLY H . 16050 1 208 . 1 1 20 20 GLY HA2 H 1 3.68 0.02 . 2 . . . . 20 GLY HA2 . 16050 1 209 . 1 1 20 20 GLY HA3 H 1 4 0.02 . 2 . . . . 20 GLY HA3 . 16050 1 210 . 1 1 20 20 GLY C C 13 174.14 0.1 . 1 . . . . 20 GLY C . 16050 1 211 . 1 1 20 20 GLY CA C 13 47 0.1 . 1 . . . . 20 GLY CA . 16050 1 212 . 1 1 20 20 GLY N N 15 112.55 0.1 . 1 . . . . 20 GLY N . 16050 1 213 . 1 1 21 21 LYS H H 1 7.23 0.02 . 1 . . . . 21 LYS H . 16050 1 214 . 1 1 21 21 LYS HA H 1 3.86 0.02 . 1 . . . . 21 LYS HA . 16050 1 215 . 1 1 21 21 LYS HB2 H 1 2.08 0.02 . 2 . . . . 21 LYS HB2 . 16050 1 216 . 1 1 21 21 LYS HB3 H 1 2.08 0.02 . 2 . . . . 21 LYS HB3 . 16050 1 217 . 1 1 21 21 LYS HD2 H 1 1.43 0.02 . 2 . . . . 21 LYS HD2 . 16050 1 218 . 1 1 21 21 LYS HD3 H 1 1.43 0.02 . 2 . . . . 21 LYS HD3 . 16050 1 219 . 1 1 21 21 LYS HE2 H 1 2.9 0.02 . 2 . . . . 21 LYS HE2 . 16050 1 220 . 1 1 21 21 LYS HE3 H 1 2.9 0.02 . 2 . . . . 21 LYS HE3 . 16050 1 221 . 1 1 21 21 LYS HG2 H 1 1.77 0.02 . 2 . . . . 21 LYS HG2 . 16050 1 222 . 1 1 21 21 LYS HG3 H 1 1.77 0.02 . 2 . . . . 21 LYS HG3 . 16050 1 223 . 1 1 21 21 LYS C C 13 177.73 0.1 . 1 . . . . 21 LYS C . 16050 1 224 . 1 1 21 21 LYS CA C 13 59.11 0.1 . 1 . . . . 21 LYS CA . 16050 1 225 . 1 1 21 21 LYS CB C 13 32.46 0.1 . 1 . . . . 21 LYS CB . 16050 1 226 . 1 1 21 21 LYS CD C 13 25.89 0.1 . 1 . . . . 21 LYS CD . 16050 1 227 . 1 1 21 21 LYS CE C 13 41.48 0.1 . 1 . . . . 21 LYS CE . 16050 1 228 . 1 1 21 21 LYS CG C 13 24.41 0.1 . 1 . . . . 21 LYS CG . 16050 1 229 . 1 1 21 21 LYS N N 15 123.24 0.1 . 1 . . . . 21 LYS N . 16050 1 230 . 1 1 22 22 GLU H H 1 9.35 0.02 . 1 . . . . 22 GLU H . 16050 1 231 . 1 1 22 22 GLU HA H 1 4.61 0.02 . 1 . . . . 22 GLU HA . 16050 1 232 . 1 1 22 22 GLU HB2 H 1 1.74 0.02 . 2 . . . . 22 GLU HB2 . 16050 1 233 . 1 1 22 22 GLU HB3 H 1 1.74 0.02 . 2 . . . . 22 GLU HB3 . 16050 1 234 . 1 1 22 22 GLU HG2 H 1 2.02 0.02 . 2 . . . . 22 GLU HG2 . 16050 1 235 . 1 1 22 22 GLU HG3 H 1 2.02 0.02 . 2 . . . . 22 GLU HG3 . 16050 1 236 . 1 1 22 22 GLU C C 13 177.42 0.1 . 1 . . . . 22 GLU C . 16050 1 237 . 1 1 22 22 GLU CA C 13 53.7 0.1 . 1 . . . . 22 GLU CA . 16050 1 238 . 1 1 22 22 GLU CB C 13 32 0.1 . 1 . . . . 22 GLU CB . 16050 1 239 . 1 1 22 22 GLU CG C 13 34.5 0.1 . 1 . . . . 22 GLU CG . 16050 1 240 . 1 1 22 22 GLU N N 15 116.77 0.1 . 1 . . . . 22 GLU N . 16050 1 241 . 1 1 23 23 GLY H H 1 7.57 0.02 . 1 . . . . 23 GLY H . 16050 1 242 . 1 1 23 23 GLY HA2 H 1 3.63 0.02 . 2 . . . . 23 GLY HA2 . 16050 1 243 . 1 1 23 23 GLY HA3 H 1 3.88 0.02 . 2 . . . . 23 GLY HA3 . 16050 1 244 . 1 1 23 23 GLY C C 13 173.98 0.1 . 1 . . . . 23 GLY C . 16050 1 245 . 1 1 23 23 GLY CA C 13 45.25 0.1 . 1 . . . . 23 GLY CA . 16050 1 246 . 1 1 23 23 GLY N N 15 112.18 0.1 . 1 . . . . 23 GLY N . 16050 1 247 . 1 1 24 24 ASP H H 1 8.68 0.02 . 1 . . . . 24 ASP H . 16050 1 248 . 1 1 24 24 ASP HA H 1 4.38 0.02 . 1 . . . . 24 ASP HA . 16050 1 249 . 1 1 24 24 ASP HB2 H 1 2.66 0.02 . 2 . . . . 24 ASP HB2 . 16050 1 250 . 1 1 24 24 ASP HB3 H 1 2.66 0.02 . 2 . . . . 24 ASP HB3 . 16050 1 251 . 1 1 24 24 ASP C C 13 178.59 0.1 . 1 . . . . 24 ASP C . 16050 1 252 . 1 1 24 24 ASP CA C 13 60 0.1 . 1 . . . . 24 ASP CA . 16050 1 253 . 1 1 24 24 ASP CB C 13 27.48 0.1 . 1 . . . . 24 ASP CB . 16050 1 254 . 1 1 24 24 ASP N N 15 127.47 0.1 . 1 . . . . 24 ASP N . 16050 1 255 . 1 1 25 25 LYS H H 1 9.27 0.02 . 1 . . . . 25 LYS H . 16050 1 256 . 1 1 25 25 LYS HA H 1 4.25 0.02 . 1 . . . . 25 LYS HA . 16050 1 257 . 1 1 25 25 LYS HB2 H 1 1.9 0.02 . 2 . . . . 25 LYS HB2 . 16050 1 258 . 1 1 25 25 LYS HB3 H 1 1.9 0.02 . 2 . . . . 25 LYS HB3 . 16050 1 259 . 1 1 25 25 LYS HD2 H 1 1.8 0.02 . 2 . . . . 25 LYS HD2 . 16050 1 260 . 1 1 25 25 LYS HD3 H 1 1.8 0.02 . 2 . . . . 25 LYS HD3 . 16050 1 261 . 1 1 25 25 LYS HE2 H 1 2.84 0.02 . 2 . . . . 25 LYS HE2 . 16050 1 262 . 1 1 25 25 LYS HE3 H 1 2.84 0.02 . 2 . . . . 25 LYS HE3 . 16050 1 263 . 1 1 25 25 LYS HG2 H 1 1.4 0.02 . 2 . . . . 25 LYS HG2 . 16050 1 264 . 1 1 25 25 LYS HG3 H 1 1.4 0.02 . 2 . . . . 25 LYS HG3 . 16050 1 265 . 1 1 25 25 LYS C C 13 177.03 0.1 . 1 . . . . 25 LYS C . 16050 1 266 . 1 1 25 25 LYS CA C 13 60 0.1 . 1 . . . . 25 LYS CA . 16050 1 267 . 1 1 25 25 LYS CB C 13 31.17 0.1 . 1 . . . . 25 LYS CB . 16050 1 268 . 1 1 25 25 LYS CD C 13 30.3 0.1 . 1 . . . . 25 LYS CD . 16050 1 269 . 1 1 25 25 LYS CE C 13 41.71 0.1 . 1 . . . . 25 LYS CE . 16050 1 270 . 1 1 25 25 LYS CG C 13 25.6 0.1 . 1 . . . . 25 LYS CG . 16050 1 271 . 1 1 25 25 LYS N N 15 132.96 0.1 . 1 . . . . 25 LYS N . 16050 1 272 . 1 1 26 26 TYR H H 1 9.43 0.02 . 1 . . . . 26 TYR H . 16050 1 273 . 1 1 26 26 TYR HA H 1 4.64 0.02 . 1 . . . . 26 TYR HA . 16050 1 274 . 1 1 26 26 TYR HB2 H 1 3.5 0.02 . 2 . . . . 26 TYR HB2 . 16050 1 275 . 1 1 26 26 TYR HB3 H 1 2.8 0.02 . 2 . . . . 26 TYR HB3 . 16050 1 276 . 1 1 26 26 TYR C C 13 174.29 0.1 . 1 . . . . 26 TYR C . 16050 1 277 . 1 1 26 26 TYR CA C 13 56.01 0.1 . 1 . . . . 26 TYR CA . 16050 1 278 . 1 1 26 26 TYR CB C 13 37.73 0.1 . 1 . . . . 26 TYR CB . 16050 1 279 . 1 1 26 26 TYR N N 15 120.65 0.1 . 1 . . . . 26 TYR N . 16050 1 280 . 1 1 27 27 LYS H H 1 7.11 0.02 . 1 . . . . 27 LYS H . 16050 1 281 . 1 1 27 27 LYS HA H 1 5.11 0.02 . 1 . . . . 27 LYS HA . 16050 1 282 . 1 1 27 27 LYS HB2 H 1 1.63 0.02 . 2 . . . . 27 LYS HB2 . 16050 1 283 . 1 1 27 27 LYS HB3 H 1 1.63 0.02 . 2 . . . . 27 LYS HB3 . 16050 1 284 . 1 1 27 27 LYS HD2 H 1 1.7 0.02 . 2 . . . . 27 LYS HD2 . 16050 1 285 . 1 1 27 27 LYS HD3 H 1 1.7 0.02 . 2 . . . . 27 LYS HD3 . 16050 1 286 . 1 1 27 27 LYS HE2 H 1 3 0.02 . 2 . . . . 27 LYS HE2 . 16050 1 287 . 1 1 27 27 LYS HE3 H 1 3 0.02 . 2 . . . . 27 LYS HE3 . 16050 1 288 . 1 1 27 27 LYS HG2 H 1 1.2 0.02 . 2 . . . . 27 LYS HG2 . 16050 1 289 . 1 1 27 27 LYS HG3 H 1 1.2 0.02 . 2 . . . . 27 LYS HG3 . 16050 1 290 . 1 1 27 27 LYS C C 13 175.15 0.1 . 1 . . . . 27 LYS C . 16050 1 291 . 1 1 27 27 LYS CA C 13 55.07 0.1 . 1 . . . . 27 LYS CA . 16050 1 292 . 1 1 27 27 LYS CB C 13 38.9 0.1 . 1 . . . . 27 LYS CB . 16050 1 293 . 1 1 27 27 LYS CD C 13 29.99 0.1 . 1 . . . . 27 LYS CD . 16050 1 294 . 1 1 27 27 LYS CE C 13 41.83 0.1 . 1 . . . . 27 LYS CE . 16050 1 295 . 1 1 27 27 LYS CG C 13 25.77 0.1 . 1 . . . . 27 LYS CG . 16050 1 296 . 1 1 27 27 LYS N N 15 115.83 0.1 . 1 . . . . 27 LYS N . 16050 1 297 . 1 1 28 28 LEU H H 1 9.82 0.02 . 1 . . . . 28 LEU H . 16050 1 298 . 1 1 28 28 LEU HA H 1 5.08 0.02 . 1 . . . . 28 LEU HA . 16050 1 299 . 1 1 28 28 LEU HB2 H 1 1.93 0.02 . 2 . . . . 28 LEU HB2 . 16050 1 300 . 1 1 28 28 LEU HB3 H 1 1.93 0.02 . 2 . . . . 28 LEU HB3 . 16050 1 301 . 1 1 28 28 LEU HD11 H 1 0.52 0.02 . 2 . . . . 28 LEU MD1 . 16050 1 302 . 1 1 28 28 LEU HD12 H 1 0.52 0.02 . 2 . . . . 28 LEU MD1 . 16050 1 303 . 1 1 28 28 LEU HD13 H 1 0.52 0.02 . 2 . . . . 28 LEU MD1 . 16050 1 304 . 1 1 28 28 LEU HD21 H 1 0.06 0.02 . 2 . . . . 28 LEU MD2 . 16050 1 305 . 1 1 28 28 LEU HD22 H 1 0.06 0.02 . 2 . . . . 28 LEU MD2 . 16050 1 306 . 1 1 28 28 LEU HD23 H 1 0.06 0.02 . 2 . . . . 28 LEU MD2 . 16050 1 307 . 1 1 28 28 LEU HG H 1 1.19 0.02 . 1 . . . . 28 LEU HG . 16050 1 308 . 1 1 28 28 LEU C C 13 176.64 0.1 . 1 . . . . 28 LEU C . 16050 1 309 . 1 1 28 28 LEU CA C 13 52.66 0.1 . 1 . . . . 28 LEU CA . 16050 1 310 . 1 1 28 28 LEU CB C 13 42.71 0.1 . 1 . . . . 28 LEU CB . 16050 1 311 . 1 1 28 28 LEU CD1 C 13 24.95 0.1 . 2 . . . . 28 LEU CD1 . 16050 1 312 . 1 1 28 28 LEU CD2 C 13 23.66 0.1 . 2 . . . . 28 LEU CD2 . 16050 1 313 . 1 1 28 28 LEU CG C 13 27.53 0.1 . 1 . . . . 28 LEU CG . 16050 1 314 . 1 1 28 28 LEU N N 15 126.93 0.1 . 1 . . . . 28 LEU N . 16050 1 315 . 1 1 29 29 SER H H 1 9.89 0.02 . 1 . . . . 29 SER H . 16050 1 316 . 1 1 29 29 SER HA H 1 4.53 0.02 . 1 . . . . 29 SER HA . 16050 1 317 . 1 1 29 29 SER HB2 H 1 4.13 0.02 . 2 . . . . 29 SER HB2 . 16050 1 318 . 1 1 29 29 SER HB3 H 1 4.13 0.02 . 2 . . . . 29 SER HB3 . 16050 1 319 . 1 1 29 29 SER C C 13 174.99 0.1 . 1 . . . . 29 SER C . 16050 1 320 . 1 1 29 29 SER CA C 13 56.18 0.1 . 1 . . . . 29 SER CA . 16050 1 321 . 1 1 29 29 SER CB C 13 65.55 0.1 . 1 . . . . 29 SER CB . 16050 1 322 . 1 1 29 29 SER N N 15 121.6 0.1 . 1 . . . . 29 SER N . 16050 1 323 . 1 1 30 30 LYS H H 1 8.85 0.02 . 1 . . . . 30 LYS H . 16050 1 324 . 1 1 30 30 LYS HA H 1 3.85 0.02 . 1 . . . . 30 LYS HA . 16050 1 325 . 1 1 30 30 LYS HB2 H 1 1.8 0.02 . 2 . . . . 30 LYS HB2 . 16050 1 326 . 1 1 30 30 LYS HB3 H 1 1.8 0.02 . 2 . . . . 30 LYS HB3 . 16050 1 327 . 1 1 30 30 LYS HD2 H 1 1.75 0.02 . 2 . . . . 30 LYS HD2 . 16050 1 328 . 1 1 30 30 LYS HD3 H 1 1.75 0.02 . 2 . . . . 30 LYS HD3 . 16050 1 329 . 1 1 30 30 LYS HE2 H 1 3 0.02 . 2 . . . . 30 LYS HE2 . 16050 1 330 . 1 1 30 30 LYS HE3 H 1 3 0.02 . 2 . . . . 30 LYS HE3 . 16050 1 331 . 1 1 30 30 LYS HG2 H 1 1.5 0.02 . 2 . . . . 30 LYS HG2 . 16050 1 332 . 1 1 30 30 LYS HG3 H 1 1.5 0.02 . 2 . . . . 30 LYS HG3 . 16050 1 333 . 1 1 30 30 LYS C C 13 175.62 0.1 . 1 . . . . 30 LYS C . 16050 1 334 . 1 1 30 30 LYS CA C 13 60.86 0.1 . 1 . . . . 30 LYS CA . 16050 1 335 . 1 1 30 30 LYS CB C 13 31.29 0.1 . 1 . . . . 30 LYS CB . 16050 1 336 . 1 1 30 30 LYS CD C 13 29.29 0.1 . 1 . . . . 30 LYS CD . 16050 1 337 . 1 1 30 30 LYS CE C 13 41.71 0.1 . 1 . . . . 30 LYS CE . 16050 1 338 . 1 1 30 30 LYS CG C 13 24.95 0.1 . 1 . . . . 30 LYS CG . 16050 1 339 . 1 1 30 30 LYS N N 15 121.26 0.1 . 1 . . . . 30 LYS N . 16050 1 340 . 1 1 31 31 LYS H H 1 7.97 0.02 . 1 . . . . 31 LYS H . 16050 1 341 . 1 1 31 31 LYS HA H 1 3.88 0.02 . 1 . . . . 31 LYS HA . 16050 1 342 . 1 1 31 31 LYS HB2 H 1 1.75 0.02 . 2 . . . . 31 LYS HB2 . 16050 1 343 . 1 1 31 31 LYS HB3 H 1 1.75 0.02 . 2 . . . . 31 LYS HB3 . 16050 1 344 . 1 1 31 31 LYS HD2 H 1 1.65 0.02 . 2 . . . . 31 LYS HD2 . 16050 1 345 . 1 1 31 31 LYS HD3 H 1 1.65 0.02 . 2 . . . . 31 LYS HD3 . 16050 1 346 . 1 1 31 31 LYS HE2 H 1 3 0.02 . 2 . . . . 31 LYS HE2 . 16050 1 347 . 1 1 31 31 LYS HE3 H 1 3 0.02 . 2 . . . . 31 LYS HE3 . 16050 1 348 . 1 1 31 31 LYS HG2 H 1 1.3 0.02 . 2 . . . . 31 LYS HG2 . 16050 1 349 . 1 1 31 31 LYS HG3 H 1 1.3 0.02 . 2 . . . . 31 LYS HG3 . 16050 1 350 . 1 1 31 31 LYS C C 13 179.29 0.1 . 1 . . . . 31 LYS C . 16050 1 351 . 1 1 31 31 LYS CA C 13 59.11 0.1 . 1 . . . . 31 LYS CA . 16050 1 352 . 1 1 31 31 LYS CB C 13 32.64 0.1 . 1 . . . . 31 LYS CB . 16050 1 353 . 1 1 31 31 LYS CD C 13 28.5 0.1 . 1 . . . . 31 LYS CD . 16050 1 354 . 1 1 31 31 LYS CE C 13 41.95 0.1 . 1 . . . . 31 LYS CE . 16050 1 355 . 1 1 31 31 LYS CG C 13 25.07 0.1 . 1 . . . . 31 LYS CG . 16050 1 356 . 1 1 31 31 LYS N N 15 121.26 0.1 . 1 . . . . 31 LYS N . 16050 1 357 . 1 1 32 32 GLU H H 1 7.51 0.02 . 1 . . . . 32 GLU H . 16050 1 358 . 1 1 32 32 GLU HA H 1 3.83 0.02 . 1 . . . . 32 GLU HA . 16050 1 359 . 1 1 32 32 GLU HB2 H 1 1.8 0.02 . 2 . . . . 32 GLU HB2 . 16050 1 360 . 1 1 32 32 GLU HB3 H 1 1.8 0.02 . 2 . . . . 32 GLU HB3 . 16050 1 361 . 1 1 32 32 GLU HG2 H 1 2.02 0.02 . 2 . . . . 32 GLU HG2 . 16050 1 362 . 1 1 32 32 GLU HG3 H 1 2.02 0.02 . 2 . . . . 32 GLU HG3 . 16050 1 363 . 1 1 32 32 GLU C C 13 179.29 0.1 . 1 . . . . 32 GLU C . 16050 1 364 . 1 1 32 32 GLU CA C 13 58.59 0.1 . 1 . . . . 32 GLU CA . 16050 1 365 . 1 1 32 32 GLU CB C 13 30.12 0.1 . 1 . . . . 32 GLU CB . 16050 1 366 . 1 1 32 32 GLU CG C 13 36.19 0.1 . 1 . . . . 32 GLU CG . 16050 1 367 . 1 1 32 32 GLU N N 15 120.09 0.1 . 1 . . . . 32 GLU N . 16050 1 368 . 1 1 33 33 LEU H H 1 8.97 0.02 . 1 . . . . 33 LEU H . 16050 1 369 . 1 1 33 33 LEU HA H 1 3.83 0.02 . 1 . . . . 33 LEU HA . 16050 1 370 . 1 1 33 33 LEU HB2 H 1 1.83 0.02 . 2 . . . . 33 LEU HB2 . 16050 1 371 . 1 1 33 33 LEU HB3 H 1 1.23 0.02 . 2 . . . . 33 LEU HB3 . 16050 1 372 . 1 1 33 33 LEU HD11 H 1 0.8 0.02 . 2 . . . . 33 LEU MD1 . 16050 1 373 . 1 1 33 33 LEU HD12 H 1 0.8 0.02 . 2 . . . . 33 LEU MD1 . 16050 1 374 . 1 1 33 33 LEU HD13 H 1 0.8 0.02 . 2 . . . . 33 LEU MD1 . 16050 1 375 . 1 1 33 33 LEU HD21 H 1 0.6 0.02 . 2 . . . . 33 LEU MD2 . 16050 1 376 . 1 1 33 33 LEU HD22 H 1 0.6 0.02 . 2 . . . . 33 LEU MD2 . 16050 1 377 . 1 1 33 33 LEU HD23 H 1 0.6 0.02 . 2 . . . . 33 LEU MD2 . 16050 1 378 . 1 1 33 33 LEU HG H 1 1.3 0.02 . 1 . . . . 33 LEU HG . 16050 1 379 . 1 1 33 33 LEU C C 13 178.2 0.1 . 1 . . . . 33 LEU C . 16050 1 380 . 1 1 33 33 LEU CA C 13 57.93 0.1 . 1 . . . . 33 LEU CA . 16050 1 381 . 1 1 33 33 LEU CB C 13 40.66 0.1 . 1 . . . . 33 LEU CB . 16050 1 382 . 1 1 33 33 LEU CD1 C 13 21.9 0.1 . 2 . . . . 33 LEU CD1 . 16050 1 383 . 1 1 33 33 LEU CD2 C 13 27.5 0.1 . 2 . . . . 33 LEU CD2 . 16050 1 384 . 1 1 33 33 LEU CG C 13 26.36 0.1 . 1 . . . . 33 LEU CG . 16050 1 385 . 1 1 33 33 LEU N N 15 120.2 0.1 . 1 . . . . 33 LEU N . 16050 1 386 . 1 1 34 34 LYS H H 1 8.23 0.02 . 1 . . . . 34 LYS H . 16050 1 387 . 1 1 34 34 LYS HA H 1 3.55 0.02 . 1 . . . . 34 LYS HA . 16050 1 388 . 1 1 34 34 LYS HB2 H 1 1.77 0.02 . 2 . . . . 34 LYS HB2 . 16050 1 389 . 1 1 34 34 LYS HB3 H 1 1.77 0.02 . 2 . . . . 34 LYS HB3 . 16050 1 390 . 1 1 34 34 LYS HD2 H 1 2.2 0.02 . 2 . . . . 34 LYS HD2 . 16050 1 391 . 1 1 34 34 LYS HD3 H 1 2.2 0.02 . 2 . . . . 34 LYS HD3 . 16050 1 392 . 1 1 34 34 LYS HE2 H 1 3 0.02 . 2 . . . . 34 LYS HE2 . 16050 1 393 . 1 1 34 34 LYS HE3 H 1 3 0.02 . 2 . . . . 34 LYS HE3 . 16050 1 394 . 1 1 34 34 LYS HG2 H 1 1.21 0.02 . 2 . . . . 34 LYS HG2 . 16050 1 395 . 1 1 34 34 LYS HG3 H 1 1.21 0.02 . 2 . . . . 34 LYS HG3 . 16050 1 396 . 1 1 34 34 LYS C C 13 178.04 0.1 . 1 . . . . 34 LYS C . 16050 1 397 . 1 1 34 34 LYS CA C 13 60.72 0.1 . 1 . . . . 34 LYS CA . 16050 1 398 . 1 1 34 34 LYS CB C 13 31.98 0.1 . 1 . . . . 34 LYS CB . 16050 1 399 . 1 1 34 34 LYS CD C 13 29.32 0.1 . 1 . . . . 34 LYS CD . 16050 1 400 . 1 1 34 34 LYS CE C 13 41.95 0.1 . 1 . . . . 34 LYS CE . 16050 1 401 . 1 1 34 34 LYS CG C 13 25.84 0.1 . 1 . . . . 34 LYS CG . 16050 1 402 . 1 1 34 34 LYS N N 15 120.78 0.1 . 1 . . . . 34 LYS N . 16050 1 403 . 1 1 35 35 ASP H H 1 7.99 0.02 . 1 . . . . 35 ASP H . 16050 1 404 . 1 1 35 35 ASP HA H 1 4.25 0.02 . 1 . . . . 35 ASP HA . 16050 1 405 . 1 1 35 35 ASP HB2 H 1 2.91 0.02 . 2 . . . . 35 ASP HB2 . 16050 1 406 . 1 1 35 35 ASP HB3 H 1 2.62 0.02 . 2 . . . . 35 ASP HB3 . 16050 1 407 . 1 1 35 35 ASP C C 13 179.06 0.1 . 1 . . . . 35 ASP C . 16050 1 408 . 1 1 35 35 ASP CA C 13 56.83 0.1 . 1 . . . . 35 ASP CA . 16050 1 409 . 1 1 35 35 ASP CB C 13 40.44 0.1 . 1 . . . . 35 ASP CB . 16050 1 410 . 1 1 35 35 ASP N N 15 119.55 0.1 . 1 . . . . 35 ASP N . 16050 1 411 . 1 1 36 36 LEU H H 1 8.13 0.02 . 1 . . . . 36 LEU H . 16050 1 412 . 1 1 36 36 LEU HA H 1 2.58 0.02 . 1 . . . . 36 LEU HA . 16050 1 413 . 1 1 36 36 LEU HB2 H 1 1.2 0.02 . 2 . . . . 36 LEU HB2 . 16050 1 414 . 1 1 36 36 LEU HB3 H 1 1.2 0.02 . 2 . . . . 36 LEU HB3 . 16050 1 415 . 1 1 36 36 LEU HD11 H 1 0.6 0.02 . 2 . . . . 36 LEU MD1 . 16050 1 416 . 1 1 36 36 LEU HD12 H 1 0.6 0.02 . 2 . . . . 36 LEU MD1 . 16050 1 417 . 1 1 36 36 LEU HD13 H 1 0.6 0.02 . 2 . . . . 36 LEU MD1 . 16050 1 418 . 1 1 36 36 LEU HD21 H 1 0.7 0.02 . 2 . . . . 36 LEU MD2 . 16050 1 419 . 1 1 36 36 LEU HD22 H 1 0.7 0.02 . 2 . . . . 36 LEU MD2 . 16050 1 420 . 1 1 36 36 LEU HD23 H 1 0.7 0.02 . 2 . . . . 36 LEU MD2 . 16050 1 421 . 1 1 36 36 LEU HG H 1 1.25 0.02 . 1 . . . . 36 LEU HG . 16050 1 422 . 1 1 36 36 LEU C C 13 179.45 0.1 . 1 . . . . 36 LEU C . 16050 1 423 . 1 1 36 36 LEU CA C 13 59.98 0.1 . 1 . . . . 36 LEU CA . 16050 1 424 . 1 1 36 36 LEU CB C 13 42.18 0.1 . 1 . . . . 36 LEU CB . 16050 1 425 . 1 1 36 36 LEU CD1 C 13 26.5 0.1 . 2 . . . . 36 LEU CD1 . 16050 1 426 . 1 1 36 36 LEU CD2 C 13 23.5 0.1 . 2 . . . . 36 LEU CD2 . 16050 1 427 . 1 1 36 36 LEU CG C 13 27.4 0.1 . 1 . . . . 36 LEU CG . 16050 1 428 . 1 1 36 36 LEU N N 15 125.56 0.1 . 1 . . . . 36 LEU N . 16050 1 429 . 1 1 37 37 LEU H H 1 8.74 0.02 . 1 . . . . 37 LEU H . 16050 1 430 . 1 1 37 37 LEU HA H 1 3.58 0.02 . 1 . . . . 37 LEU HA . 16050 1 431 . 1 1 37 37 LEU HB2 H 1 1.83 0.02 . 2 . . . . 37 LEU HB2 . 16050 1 432 . 1 1 37 37 LEU HB3 H 1 1.83 0.02 . 2 . . . . 37 LEU HB3 . 16050 1 433 . 1 1 37 37 LEU HD11 H 1 0.5 0.02 . 2 . . . . 37 LEU MD1 . 16050 1 434 . 1 1 37 37 LEU HD12 H 1 0.5 0.02 . 2 . . . . 37 LEU MD1 . 16050 1 435 . 1 1 37 37 LEU HD13 H 1 0.5 0.02 . 2 . . . . 37 LEU MD1 . 16050 1 436 . 1 1 37 37 LEU HD21 H 1 0.6 0.02 . 2 . . . . 37 LEU MD2 . 16050 1 437 . 1 1 37 37 LEU HD22 H 1 0.6 0.02 . 2 . . . . 37 LEU MD2 . 16050 1 438 . 1 1 37 37 LEU HD23 H 1 0.6 0.02 . 2 . . . . 37 LEU MD2 . 16050 1 439 . 1 1 37 37 LEU HG H 1 1.11 0.02 . 1 . . . . 37 LEU HG . 16050 1 440 . 1 1 37 37 LEU C C 13 179.29 0.1 . 1 . . . . 37 LEU C . 16050 1 441 . 1 1 37 37 LEU CA C 13 58.23 0.1 . 1 . . . . 37 LEU CA . 16050 1 442 . 1 1 37 37 LEU CB C 13 41.59 0.1 . 1 . . . . 37 LEU CB . 16050 1 443 . 1 1 37 37 LEU CD1 C 13 20.2 0.1 . 2 . . . . 37 LEU CD1 . 16050 1 444 . 1 1 37 37 LEU CD2 C 13 22.5 0.1 . 2 . . . . 37 LEU CD2 . 16050 1 445 . 1 1 37 37 LEU CG C 13 26.48 0.1 . 1 . . . . 37 LEU CG . 16050 1 446 . 1 1 37 37 LEU N N 15 120.52 0.1 . 1 . . . . 37 LEU N . 16050 1 447 . 1 1 38 38 GLN H H 1 8.52 0.02 . 1 . . . . 38 GLN H . 16050 1 448 . 1 1 38 38 GLN HA H 1 4 0.02 . 1 . . . . 38 GLN HA . 16050 1 449 . 1 1 38 38 GLN HB2 H 1 2.03 0.02 . 2 . . . . 38 GLN HB2 . 16050 1 450 . 1 1 38 38 GLN HB3 H 1 2.03 0.02 . 2 . . . . 38 GLN HB3 . 16050 1 451 . 1 1 38 38 GLN HG2 H 1 2.34 0.02 . 2 . . . . 38 GLN HG2 . 16050 1 452 . 1 1 38 38 GLN HG3 H 1 2.34 0.02 . 2 . . . . 38 GLN HG3 . 16050 1 453 . 1 1 38 38 GLN C C 13 177.96 0.1 . 1 . . . . 38 GLN C . 16050 1 454 . 1 1 38 38 GLN CA C 13 58.21 0.1 . 1 . . . . 38 GLN CA . 16050 1 455 . 1 1 38 38 GLN CB C 13 28.65 0.1 . 1 . . . . 38 GLN CB . 16050 1 456 . 1 1 38 38 GLN CG C 13 34.33 0.1 . 1 . . . . 38 GLN CG . 16050 1 457 . 1 1 38 38 GLN N N 15 116.74 0.1 . 1 . . . . 38 GLN N . 16050 1 458 . 1 1 39 39 THR H H 1 7.91 0.02 . 1 . . . . 39 THR H . 16050 1 459 . 1 1 39 39 THR HA H 1 4.21 0.02 . 1 . . . . 39 THR HA . 16050 1 460 . 1 1 39 39 THR HB H 1 4.12 0.02 . 1 . . . . 39 THR HB . 16050 1 461 . 1 1 39 39 THR HG21 H 1 1.33 0.02 . 1 . . . . 39 THR MG . 16050 1 462 . 1 1 39 39 THR HG22 H 1 1.33 0.02 . 1 . . . . 39 THR MG . 16050 1 463 . 1 1 39 39 THR HG23 H 1 1.33 0.02 . 1 . . . . 39 THR MG . 16050 1 464 . 1 1 39 39 THR C C 13 177.18 0.1 . 1 . . . . 39 THR C . 16050 1 465 . 1 1 39 39 THR CA C 13 64.73 0.1 . 1 . . . . 39 THR CA . 16050 1 466 . 1 1 39 39 THR CB C 13 69.65 0.1 . 1 . . . . 39 THR CB . 16050 1 467 . 1 1 39 39 THR CG2 C 13 21.67 0.1 . 1 . . . . 39 THR CG2 . 16050 1 468 . 1 1 39 39 THR N N 15 111.4 0.1 . 1 . . . . 39 THR N . 16050 1 469 . 1 1 40 40 GLU H H 1 8.59 0.02 . 1 . . . . 40 GLU H . 16050 1 470 . 1 1 40 40 GLU HA H 1 4.68 0.02 . 1 . . . . 40 GLU HA . 16050 1 471 . 1 1 40 40 GLU HB2 H 1 2.08 0.02 . 2 . . . . 40 GLU HB2 . 16050 1 472 . 1 1 40 40 GLU HB3 H 1 2.08 0.02 . 2 . . . . 40 GLU HB3 . 16050 1 473 . 1 1 40 40 GLU HG2 H 1 2.36 0.02 . 2 . . . . 40 GLU HG2 . 16050 1 474 . 1 1 40 40 GLU HG3 H 1 2.36 0.02 . 2 . . . . 40 GLU HG3 . 16050 1 475 . 1 1 40 40 GLU C C 13 178.28 0.1 . 1 . . . . 40 GLU C . 16050 1 476 . 1 1 40 40 GLU CA C 13 55.88 0.1 . 1 . . . . 40 GLU CA . 16050 1 477 . 1 1 40 40 GLU CB C 13 30.99 0.1 . 1 . . . . 40 GLU CB . 16050 1 478 . 1 1 40 40 GLU CG C 13 36.2 0.1 . 1 . . . . 40 GLU CG . 16050 1 479 . 1 1 40 40 GLU N N 15 117.84 0.1 . 1 . . . . 40 GLU N . 16050 1 480 . 1 1 41 41 LEU H H 1 7.68 0.02 . 1 . . . . 41 LEU H . 16050 1 481 . 1 1 41 41 LEU HA H 1 5.08 0.02 . 1 . . . . 41 LEU HA . 16050 1 482 . 1 1 41 41 LEU HB2 H 1 1.64 0.02 . 2 . . . . 41 LEU HB2 . 16050 1 483 . 1 1 41 41 LEU HB3 H 1 1.64 0.02 . 2 . . . . 41 LEU HB3 . 16050 1 484 . 1 1 41 41 LEU HD11 H 1 0.61 0.02 . 2 . . . . 41 LEU MD1 . 16050 1 485 . 1 1 41 41 LEU HD12 H 1 0.61 0.02 . 2 . . . . 41 LEU MD1 . 16050 1 486 . 1 1 41 41 LEU HD13 H 1 0.61 0.02 . 2 . . . . 41 LEU MD1 . 16050 1 487 . 1 1 41 41 LEU HD21 H 1 0.8 0.02 . 2 . . . . 41 LEU MD2 . 16050 1 488 . 1 1 41 41 LEU HD22 H 1 0.8 0.02 . 2 . . . . 41 LEU MD2 . 16050 1 489 . 1 1 41 41 LEU HD23 H 1 0.8 0.02 . 2 . . . . 41 LEU MD2 . 16050 1 490 . 1 1 41 41 LEU HG H 1 1.24 0.02 . 1 . . . . 41 LEU HG . 16050 1 491 . 1 1 41 41 LEU C C 13 179.45 0.1 . 1 . . . . 41 LEU C . 16050 1 492 . 1 1 41 41 LEU CA C 13 53.83 0.1 . 1 . . . . 41 LEU CA . 16050 1 493 . 1 1 41 41 LEU CB C 13 41.36 0.1 . 1 . . . . 41 LEU CB . 16050 1 494 . 1 1 41 41 LEU CD1 C 13 23.5 0.1 . 2 . . . . 41 LEU CD1 . 16050 1 495 . 1 1 41 41 LEU CD2 C 13 18 0.1 . 2 . . . . 41 LEU CD2 . 16050 1 496 . 1 1 41 41 LEU CG C 13 26.5 0.1 . 1 . . . . 41 LEU CG . 16050 1 497 . 1 1 41 41 LEU N N 15 121.41 0.1 . 1 . . . . 41 LEU N . 16050 1 498 . 1 1 42 42 SER H H 1 8.38 0.02 . 1 . . . . 42 SER H . 16050 1 499 . 1 1 42 42 SER HA H 1 4.13 0.02 . 1 . . . . 42 SER HA . 16050 1 500 . 1 1 42 42 SER HB2 H 1 3.97 0.02 . 2 . . . . 42 SER HB2 . 16050 1 501 . 1 1 42 42 SER HB3 H 1 3.97 0.02 . 2 . . . . 42 SER HB3 . 16050 1 502 . 1 1 42 42 SER C C 13 176.64 0.1 . 1 . . . . 42 SER C . 16050 1 503 . 1 1 42 42 SER CA C 13 61.28 0.1 . 1 . . . . 42 SER CA . 16050 1 504 . 1 1 42 42 SER CB C 13 63.04 0.1 . 1 . . . . 42 SER CB . 16050 1 505 . 1 1 42 42 SER N N 15 117.42 0.1 . 1 . . . . 42 SER N . 16050 1 506 . 1 1 43 43 SER H H 1 8.9 0.02 . 1 . . . . 43 SER H . 16050 1 507 . 1 1 43 43 SER HA H 1 4.29 0.02 . 1 . . . . 43 SER HA . 16050 1 508 . 1 1 43 43 SER HB2 H 1 4.1 0.02 . 2 . . . . 43 SER HB2 . 16050 1 509 . 1 1 43 43 SER HB3 H 1 4.1 0.02 . 2 . . . . 43 SER HB3 . 16050 1 510 . 1 1 43 43 SER C C 13 175.62 0.1 . 1 . . . . 43 SER C . 16050 1 511 . 1 1 43 43 SER CA C 13 60.86 0.1 . 1 . . . . 43 SER CA . 16050 1 512 . 1 1 43 43 SER CB C 13 62.91 0.1 . 1 . . . . 43 SER CB . 16050 1 513 . 1 1 43 43 SER N N 15 117.58 0.1 . 1 . . . . 43 SER N . 16050 1 514 . 1 1 44 44 PHE H H 1 7.88 0.02 . 1 . . . . 44 PHE H . 16050 1 515 . 1 1 44 44 PHE HA H 1 4.24 0.02 . 1 . . . . 44 PHE HA . 16050 1 516 . 1 1 44 44 PHE HB2 H 1 2.83 0.02 . 2 . . . . 44 PHE HB2 . 16050 1 517 . 1 1 44 44 PHE HB3 H 1 2.83 0.02 . 2 . . . . 44 PHE HB3 . 16050 1 518 . 1 1 44 44 PHE C C 13 176.95 0.1 . 1 . . . . 44 PHE C . 16050 1 519 . 1 1 44 44 PHE CA C 13 62.71 0.1 . 1 . . . . 44 PHE CA . 16050 1 520 . 1 1 44 44 PHE CB C 13 39.02 0.1 . 1 . . . . 44 PHE CB . 16050 1 521 . 1 1 44 44 PHE N N 15 119.48 0.1 . 1 . . . . 44 PHE N . 16050 1 522 . 1 1 45 45 LEU H H 1 8.06 0.02 . 1 . . . . 45 LEU H . 16050 1 523 . 1 1 45 45 LEU HA H 1 3.81 0.02 . 1 . . . . 45 LEU HA . 16050 1 524 . 1 1 45 45 LEU HB2 H 1 2.09 0.02 . 2 . . . . 45 LEU HB2 . 16050 1 525 . 1 1 45 45 LEU HB3 H 1 2.09 0.02 . 2 . . . . 45 LEU HB3 . 16050 1 526 . 1 1 45 45 LEU HD11 H 1 0.6 0.02 . 2 . . . . 45 LEU MD1 . 16050 1 527 . 1 1 45 45 LEU HD12 H 1 0.6 0.02 . 2 . . . . 45 LEU MD1 . 16050 1 528 . 1 1 45 45 LEU HD13 H 1 0.6 0.02 . 2 . . . . 45 LEU MD1 . 16050 1 529 . 1 1 45 45 LEU HD21 H 1 0.6 0.02 . 2 . . . . 45 LEU MD2 . 16050 1 530 . 1 1 45 45 LEU HD22 H 1 0.6 0.02 . 2 . . . . 45 LEU MD2 . 16050 1 531 . 1 1 45 45 LEU HD23 H 1 0.6 0.02 . 2 . . . . 45 LEU MD2 . 16050 1 532 . 1 1 45 45 LEU HG H 1 1.28 0.02 . 1 . . . . 45 LEU HG . 16050 1 533 . 1 1 45 45 LEU C C 13 177.5 0.1 . 1 . . . . 45 LEU C . 16050 1 534 . 1 1 45 45 LEU CA C 13 59.98 0.1 . 1 . . . . 45 LEU CA . 16050 1 535 . 1 1 45 45 LEU CB C 13 39.64 0.1 . 1 . . . . 45 LEU CB . 16050 1 536 . 1 1 45 45 LEU CD1 C 13 21.38 0.1 . 2 . . . . 45 LEU CD1 . 16050 1 537 . 1 1 45 45 LEU CD2 C 13 26.83 0.1 . 2 . . . . 45 LEU CD2 . 16050 1 538 . 1 1 45 45 LEU N N 15 118.01 0.1 . 1 . . . . 45 LEU N . 16050 1 539 . 1 1 46 46 ASP H H 1 8.15 0.02 . 1 . . . . 46 ASP H . 16050 1 540 . 1 1 46 46 ASP HA H 1 4.47 0.02 . 1 . . . . 46 ASP HA . 16050 1 541 . 1 1 46 46 ASP HB2 H 1 2.53 0.02 . 2 . . . . 46 ASP HB2 . 16050 1 542 . 1 1 46 46 ASP HB3 H 1 2.53 0.02 . 2 . . . . 46 ASP HB3 . 16050 1 543 . 1 1 46 46 ASP C C 13 179.92 0.1 . 1 . . . . 46 ASP C . 16050 1 544 . 1 1 46 46 ASP CA C 13 52.95 0.1 . 1 . . . . 46 ASP CA . 16050 1 545 . 1 1 46 46 ASP CB C 13 40 0.1 . 1 . . . . 46 ASP CB . 16050 1 546 . 1 1 46 46 ASP N N 15 119.46 0.1 . 1 . . . . 46 ASP N . 16050 1 547 . 1 1 47 47 VAL H H 1 8.01 0.02 . 1 . . . . 47 VAL H . 16050 1 548 . 1 1 47 47 VAL HA H 1 3.8 0.02 . 1 . . . . 47 VAL HA . 16050 1 549 . 1 1 47 47 VAL HB H 1 1.83 0.02 . 1 . . . . 47 VAL HB . 16050 1 550 . 1 1 47 47 VAL HG11 H 1 0.56 0.02 . 2 . . . . 47 VAL MG1 . 16050 1 551 . 1 1 47 47 VAL HG12 H 1 0.56 0.02 . 2 . . . . 47 VAL MG1 . 16050 1 552 . 1 1 47 47 VAL HG13 H 1 0.56 0.02 . 2 . . . . 47 VAL MG1 . 16050 1 553 . 1 1 47 47 VAL HG21 H 1 0.28 0.02 . 2 . . . . 47 VAL MG2 . 16050 1 554 . 1 1 47 47 VAL HG22 H 1 0.28 0.02 . 2 . . . . 47 VAL MG2 . 16050 1 555 . 1 1 47 47 VAL HG23 H 1 0.28 0.02 . 2 . . . . 47 VAL MG2 . 16050 1 556 . 1 1 47 47 VAL C C 13 175.46 0.1 . 1 . . . . 47 VAL C . 16050 1 557 . 1 1 47 47 VAL CA C 13 60 0.1 . 1 . . . . 47 VAL CA . 16050 1 558 . 1 1 47 47 VAL CB C 13 31.58 0.1 . 1 . . . . 47 VAL CB . 16050 1 559 . 1 1 47 47 VAL CG1 C 13 21.67 0.1 . 2 . . . . 47 VAL CG1 . 16050 1 560 . 1 1 47 47 VAL CG2 C 13 23.5 0.1 . 2 . . . . 47 VAL CG2 . 16050 1 561 . 1 1 47 47 VAL N N 15 117.72 0.1 . 1 . . . . 47 VAL N . 16050 1 562 . 1 1 48 48 GLN H H 1 7.96 0.02 . 1 . . . . 48 GLN H . 16050 1 563 . 1 1 48 48 GLN HA H 1 4.06 0.02 . 1 . . . . 48 GLN HA . 16050 1 564 . 1 1 48 48 GLN HB2 H 1 2.06 0.02 . 2 . . . . 48 GLN HB2 . 16050 1 565 . 1 1 48 48 GLN HB3 H 1 2.06 0.02 . 2 . . . . 48 GLN HB3 . 16050 1 566 . 1 1 48 48 GLN HG2 H 1 2.25 0.02 . 2 . . . . 48 GLN HG2 . 16050 1 567 . 1 1 48 48 GLN HG3 H 1 2.25 0.02 . 2 . . . . 48 GLN HG3 . 16050 1 568 . 1 1 48 48 GLN C C 13 179.37 0.1 . 1 . . . . 48 GLN C . 16050 1 569 . 1 1 48 48 GLN CA C 13 57.35 0.1 . 1 . . . . 48 GLN CA . 16050 1 570 . 1 1 48 48 GLN CB C 13 28.99 0.1 . 1 . . . . 48 GLN CB . 16050 1 571 . 1 1 48 48 GLN CG C 13 33.74 0.1 . 1 . . . . 48 GLN CG . 16050 1 572 . 1 1 48 48 GLN N N 15 119.9 0.1 . 1 . . . . 48 GLN N . 16050 1 573 . 1 1 49 49 LYS H H 1 7.81 0.02 . 1 . . . . 49 LYS H . 16050 1 574 . 1 1 49 49 LYS HA H 1 3.86 0.02 . 1 . . . . 49 LYS HA . 16050 1 575 . 1 1 49 49 LYS HB2 H 1 1.83 0.02 . 2 . . . . 49 LYS HB2 . 16050 1 576 . 1 1 49 49 LYS HB3 H 1 1.93 0.02 . 2 . . . . 49 LYS HB3 . 16050 1 577 . 1 1 49 49 LYS HD2 H 1 1.55 0.02 . 2 . . . . 49 LYS HD2 . 16050 1 578 . 1 1 49 49 LYS HD3 H 1 1.55 0.02 . 2 . . . . 49 LYS HD3 . 16050 1 579 . 1 1 49 49 LYS HE2 H 1 3 0.02 . 2 . . . . 49 LYS HE2 . 16050 1 580 . 1 1 49 49 LYS HE3 H 1 3 0.02 . 2 . . . . 49 LYS HE3 . 16050 1 581 . 1 1 49 49 LYS HG2 H 1 1.3 0.02 . 2 . . . . 49 LYS HG2 . 16050 1 582 . 1 1 49 49 LYS HG3 H 1 1.3 0.02 . 2 . . . . 49 LYS HG3 . 16050 1 583 . 1 1 49 49 LYS C C 13 177.89 0.1 . 1 . . . . 49 LYS C . 16050 1 584 . 1 1 49 49 LYS CA C 13 58.23 0.1 . 1 . . . . 49 LYS CA . 16050 1 585 . 1 1 49 49 LYS CB C 13 30.99 0.1 . 1 . . . . 49 LYS CB . 16050 1 586 . 1 1 49 49 LYS CE C 13 42 0.1 . 1 . . . . 49 LYS CE . 16050 1 587 . 1 1 49 49 LYS N N 15 120.03 0.1 . 1 . . . . 49 LYS N . 16050 1 588 . 1 1 50 50 ASP H H 1 7.57 0.02 . 1 . . . . 50 ASP H . 16050 1 589 . 1 1 50 50 ASP HA H 1 4.7 0.02 . 1 . . . . 50 ASP HA . 16050 1 590 . 1 1 50 50 ASP CA C 13 52.95 0.1 . 1 . . . . 50 ASP CA . 16050 1 591 . 1 1 50 50 ASP CB C 13 38.9 0.1 . 1 . . . . 50 ASP CB . 16050 1 592 . 1 1 50 50 ASP N N 15 116.73 0.1 . 1 . . . . 50 ASP N . 16050 1 593 . 1 1 51 51 ALA H H 1 7.57 0.02 . 1 . . . . 51 ALA H . 16050 1 594 . 1 1 51 51 ALA HA H 1 4.2 0.02 . 1 . . . . 51 ALA HA . 16050 1 595 . 1 1 51 51 ALA HB1 H 1 1.5 0.02 . 1 . . . . 51 ALA MB . 16050 1 596 . 1 1 51 51 ALA HB2 H 1 1.5 0.02 . 1 . . . . 51 ALA MB . 16050 1 597 . 1 1 51 51 ALA HB3 H 1 1.5 0.02 . 1 . . . . 51 ALA MB . 16050 1 598 . 1 1 51 51 ALA C C 13 179.76 0.1 . 1 . . . . 51 ALA C . 16050 1 599 . 1 1 51 51 ALA CA C 13 54.2 0.1 . 1 . . . . 51 ALA CA . 16050 1 600 . 1 1 51 51 ALA CB C 13 18.11 0.1 . 1 . . . . 51 ALA CB . 16050 1 601 . 1 1 51 51 ALA N N 15 118.39 0.1 . 1 . . . . 51 ALA N . 16050 1 602 . 1 1 52 52 ASP H H 1 8.43 0.02 . 1 . . . . 52 ASP H . 16050 1 603 . 1 1 52 52 ASP HA H 1 4.6 0.02 . 1 . . . . 52 ASP HA . 16050 1 604 . 1 1 52 52 ASP HB2 H 1 2.75 0.02 . 2 . . . . 52 ASP HB2 . 16050 1 605 . 1 1 52 52 ASP HB3 H 1 2.75 0.02 . 2 . . . . 52 ASP HB3 . 16050 1 606 . 1 1 52 52 ASP C C 13 177.57 0.1 . 1 . . . . 52 ASP C . 16050 1 607 . 1 1 52 52 ASP CA C 13 54.42 0.1 . 1 . . . . 52 ASP CA . 16050 1 608 . 1 1 52 52 ASP CB C 13 40.36 0.1 . 1 . . . . 52 ASP CB . 16050 1 609 . 1 1 52 52 ASP N N 15 117.53 0.1 . 1 . . . . 52 ASP N . 16050 1 610 . 1 1 53 53 ALA H H 1 7.66 0.02 . 1 . . . . 53 ALA H . 16050 1 611 . 1 1 53 53 ALA HA H 1 3.86 0.02 . 1 . . . . 53 ALA HA . 16050 1 612 . 1 1 53 53 ALA HB1 H 1 1.3 0.02 . 1 . . . . 53 ALA MB . 16050 1 613 . 1 1 53 53 ALA HB2 H 1 1.3 0.02 . 1 . . . . 53 ALA MB . 16050 1 614 . 1 1 53 53 ALA HB3 H 1 1.3 0.02 . 1 . . . . 53 ALA MB . 16050 1 615 . 1 1 53 53 ALA C C 13 180.07 0.1 . 1 . . . . 53 ALA C . 16050 1 616 . 1 1 53 53 ALA CA C 13 55.59 0.1 . 1 . . . . 53 ALA CA . 16050 1 617 . 1 1 53 53 ALA CB C 13 18.8 0.1 . 1 . . . . 53 ALA CB . 16050 1 618 . 1 1 53 53 ALA N N 15 123.45 0.1 . 1 . . . . 53 ALA N . 16050 1 619 . 1 1 54 54 VAL H H 1 8.03 0.02 . 1 . . . . 54 VAL H . 16050 1 620 . 1 1 54 54 VAL HA H 1 3.24 0.02 . 1 . . . . 54 VAL HA . 16050 1 621 . 1 1 54 54 VAL HB H 1 1.99 0.02 . 1 . . . . 54 VAL HB . 16050 1 622 . 1 1 54 54 VAL HG11 H 1 0.8 0.02 . 2 . . . . 54 VAL MG1 . 16050 1 623 . 1 1 54 54 VAL HG12 H 1 0.8 0.02 . 2 . . . . 54 VAL MG1 . 16050 1 624 . 1 1 54 54 VAL HG13 H 1 0.8 0.02 . 2 . . . . 54 VAL MG1 . 16050 1 625 . 1 1 54 54 VAL HG21 H 1 0.8 0.02 . 2 . . . . 54 VAL MG2 . 16050 1 626 . 1 1 54 54 VAL HG22 H 1 0.8 0.02 . 2 . . . . 54 VAL MG2 . 16050 1 627 . 1 1 54 54 VAL HG23 H 1 0.8 0.02 . 2 . . . . 54 VAL MG2 . 16050 1 628 . 1 1 54 54 VAL C C 13 177.34 0.1 . 1 . . . . 54 VAL C . 16050 1 629 . 1 1 54 54 VAL CA C 13 66.62 0.1 . 1 . . . . 54 VAL CA . 16050 1 630 . 1 1 54 54 VAL CB C 13 30.48 0.1 . 1 . . . . 54 VAL CB . 16050 1 631 . 1 1 54 54 VAL CG1 C 13 22.96 0.1 . 2 . . . . 54 VAL CG1 . 16050 1 632 . 1 1 54 54 VAL CG2 C 13 21.4 0.1 . 2 . . . . 54 VAL CG2 . 16050 1 633 . 1 1 54 54 VAL N N 15 116.15 0.1 . 1 . . . . 54 VAL N . 16050 1 634 . 1 1 55 55 ASP H H 1 7.66 0.02 . 1 . . . . 55 ASP H . 16050 1 635 . 1 1 55 55 ASP HA H 1 4.08 0.02 . 1 . . . . 55 ASP HA . 16050 1 636 . 1 1 55 55 ASP HB2 H 1 2.68 0.02 . 2 . . . . 55 ASP HB2 . 16050 1 637 . 1 1 55 55 ASP HB3 H 1 2.56 0.02 . 2 . . . . 55 ASP HB3 . 16050 1 638 . 1 1 55 55 ASP C C 13 177.26 0.1 . 1 . . . . 55 ASP C . 16050 1 639 . 1 1 55 55 ASP CA C 13 57.64 0.1 . 1 . . . . 55 ASP CA . 16050 1 640 . 1 1 55 55 ASP CB C 13 40.36 0.1 . 1 . . . . 55 ASP CB . 16050 1 641 . 1 1 55 55 ASP N N 15 120.83 0.1 . 1 . . . . 55 ASP N . 16050 1 642 . 1 1 56 56 LYS H H 1 7.78 0.02 . 1 . . . . 56 LYS H . 16050 1 643 . 1 1 56 56 LYS HA H 1 3.86 0.02 . 1 . . . . 56 LYS HA . 16050 1 644 . 1 1 56 56 LYS HB2 H 1 1.8 0.02 . 2 . . . . 56 LYS HB2 . 16050 1 645 . 1 1 56 56 LYS HB3 H 1 1.8 0.02 . 2 . . . . 56 LYS HB3 . 16050 1 646 . 1 1 56 56 LYS HD2 H 1 1.55 0.02 . 2 . . . . 56 LYS HD2 . 16050 1 647 . 1 1 56 56 LYS HD3 H 1 1.55 0.02 . 2 . . . . 56 LYS HD3 . 16050 1 648 . 1 1 56 56 LYS HE2 H 1 3 0.02 . 2 . . . . 56 LYS HE2 . 16050 1 649 . 1 1 56 56 LYS HE3 H 1 3 0.02 . 2 . . . . 56 LYS HE3 . 16050 1 650 . 1 1 56 56 LYS HG2 H 1 1.3 0.02 . 2 . . . . 56 LYS HG2 . 16050 1 651 . 1 1 56 56 LYS HG3 H 1 1.3 0.02 . 2 . . . . 56 LYS HG3 . 16050 1 652 . 1 1 56 56 LYS C C 13 179.53 0.1 . 1 . . . . 56 LYS C . 16050 1 653 . 1 1 56 56 LYS CA C 13 59.69 0.1 . 1 . . . . 56 LYS CA . 16050 1 654 . 1 1 56 56 LYS CB C 13 31.87 0.1 . 1 . . . . 56 LYS CB . 16050 1 655 . 1 1 56 56 LYS CD C 13 29.41 0.1 . 1 . . . . 56 LYS CD . 16050 1 656 . 1 1 56 56 LYS CE C 13 42.18 0.1 . 1 . . . . 56 LYS CE . 16050 1 657 . 1 1 56 56 LYS CG C 13 25.66 0.1 . 1 . . . . 56 LYS CG . 16050 1 658 . 1 1 56 56 LYS N N 15 120.01 0.1 . 1 . . . . 56 LYS N . 16050 1 659 . 1 1 57 57 ILE H H 1 8.09 0.02 . 1 . . . . 57 ILE H . 16050 1 660 . 1 1 57 57 ILE HA H 1 3.39 0.02 . 1 . . . . 57 ILE HA . 16050 1 661 . 1 1 57 57 ILE HB H 1 1.7 0.02 . 1 . . . . 57 ILE HB . 16050 1 662 . 1 1 57 57 ILE HD11 H 1 0.36 0.02 . 1 . . . . 57 ILE MD . 16050 1 663 . 1 1 57 57 ILE HD12 H 1 0.36 0.02 . 1 . . . . 57 ILE MD . 16050 1 664 . 1 1 57 57 ILE HD13 H 1 0.36 0.02 . 1 . . . . 57 ILE MD . 16050 1 665 . 1 1 57 57 ILE HG12 H 1 1.57 0.02 . 2 . . . . 57 ILE HG12 . 16050 1 666 . 1 1 57 57 ILE HG13 H 1 1.58 0.02 . 2 . . . . 57 ILE HG13 . 16050 1 667 . 1 1 57 57 ILE HG21 H 1 0.68 0.02 . 1 . . . . 57 ILE MG . 16050 1 668 . 1 1 57 57 ILE HG22 H 1 0.68 0.02 . 1 . . . . 57 ILE MG . 16050 1 669 . 1 1 57 57 ILE HG23 H 1 0.68 0.02 . 1 . . . . 57 ILE MG . 16050 1 670 . 1 1 57 57 ILE C C 13 176.71 0.1 . 1 . . . . 57 ILE C . 16050 1 671 . 1 1 57 57 ILE CA C 13 64.96 0.1 . 1 . . . . 57 ILE CA . 16050 1 672 . 1 1 57 57 ILE CB C 13 38.08 0.1 . 1 . . . . 57 ILE CB . 16050 1 673 . 1 1 57 57 ILE CD1 C 13 13.59 0.1 . 1 . . . . 57 ILE CD1 . 16050 1 674 . 1 1 57 57 ILE CG1 C 13 28.7 0.1 . 1 . . . . 57 ILE CG1 . 16050 1 675 . 1 1 57 57 ILE CG2 C 13 17.7 0.1 . 1 . . . . 57 ILE CG2 . 16050 1 676 . 1 1 57 57 ILE N N 15 120.96 0.1 . 1 . . . . 57 ILE N . 16050 1 677 . 1 1 58 58 MET H H 1 8.48 0.02 . 1 . . . . 58 MET H . 16050 1 678 . 1 1 58 58 MET HA H 1 3.8 0.02 . 1 . . . . 58 MET HA . 16050 1 679 . 1 1 58 58 MET HB2 H 1 2.88 0.02 . 2 . . . . 58 MET HB2 . 16050 1 680 . 1 1 58 58 MET HB3 H 1 2.88 0.02 . 2 . . . . 58 MET HB3 . 16050 1 681 . 1 1 58 58 MET HE1 H 1 2.05 0.02 . 1 . . . . 58 MET ME . 16050 1 682 . 1 1 58 58 MET HE2 H 1 2.05 0.02 . 1 . . . . 58 MET ME . 16050 1 683 . 1 1 58 58 MET HE3 H 1 2.05 0.02 . 1 . . . . 58 MET ME . 16050 1 684 . 1 1 58 58 MET HG2 H 1 1.83 0.02 . 2 . . . . 58 MET HG2 . 16050 1 685 . 1 1 58 58 MET HG3 H 1 1.83 0.02 . 2 . . . . 58 MET HG3 . 16050 1 686 . 1 1 58 58 MET C C 13 177.57 0.1 . 1 . . . . 58 MET C . 16050 1 687 . 1 1 58 58 MET CA C 13 58.57 0.1 . 1 . . . . 58 MET CA . 16050 1 688 . 1 1 58 58 MET CB C 13 32.57 0.1 . 1 . . . . 58 MET CB . 16050 1 689 . 1 1 58 58 MET CE C 13 18.9 0.1 . 1 . . . . 58 MET CE . 16050 1 690 . 1 1 58 58 MET CG C 13 30.7 0.1 . 1 . . . . 58 MET CG . 16050 1 691 . 1 1 58 58 MET N N 15 119.16 0.1 . 1 . . . . 58 MET N . 16050 1 692 . 1 1 59 59 LYS H H 1 7.55 0.02 . 1 . . . . 59 LYS H . 16050 1 693 . 1 1 59 59 LYS HA H 1 3.93 0.02 . 1 . . . . 59 LYS HA . 16050 1 694 . 1 1 59 59 LYS HB2 H 1 1.83 0.02 . 2 . . . . 59 LYS HB2 . 16050 1 695 . 1 1 59 59 LYS HB3 H 1 1.83 0.02 . 2 . . . . 59 LYS HB3 . 16050 1 696 . 1 1 59 59 LYS HD2 H 1 1.59 0.02 . 2 . . . . 59 LYS HD2 . 16050 1 697 . 1 1 59 59 LYS HD3 H 1 1.59 0.02 . 2 . . . . 59 LYS HD3 . 16050 1 698 . 1 1 59 59 LYS HE2 H 1 2.89 0.02 . 2 . . . . 59 LYS HE2 . 16050 1 699 . 1 1 59 59 LYS HE3 H 1 2.89 0.02 . 2 . . . . 59 LYS HE3 . 16050 1 700 . 1 1 59 59 LYS HG2 H 1 1.5 0.02 . 2 . . . . 59 LYS HG2 . 16050 1 701 . 1 1 59 59 LYS HG3 H 1 1.35 0.02 . 2 . . . . 59 LYS HG3 . 16050 1 702 . 1 1 59 59 LYS C C 13 179.53 0.1 . 1 . . . . 59 LYS C . 16050 1 703 . 1 1 59 59 LYS CA C 13 58.82 0.1 . 1 . . . . 59 LYS CA . 16050 1 704 . 1 1 59 59 LYS CB C 13 32.45 0.1 . 1 . . . . 59 LYS CB . 16050 1 705 . 1 1 59 59 LYS CD C 13 28.94 0.1 . 1 . . . . 59 LYS CD . 16050 1 706 . 1 1 59 59 LYS CE C 13 41.91 0.1 . 1 . . . . 59 LYS CE . 16050 1 707 . 1 1 59 59 LYS CG C 13 24.95 0.1 . 1 . . . . 59 LYS CG . 16050 1 708 . 1 1 59 59 LYS N N 15 116.73 0.1 . 1 . . . . 59 LYS N . 16050 1 709 . 1 1 60 60 GLU H H 1 7.47 0.02 . 1 . . . . 60 GLU H . 16050 1 710 . 1 1 60 60 GLU HA H 1 4.05 0.02 . 1 . . . . 60 GLU HA . 16050 1 711 . 1 1 60 60 GLU HB2 H 1 1.86 0.02 . 2 . . . . 60 GLU HB2 . 16050 1 712 . 1 1 60 60 GLU HB3 H 1 1.86 0.02 . 2 . . . . 60 GLU HB3 . 16050 1 713 . 1 1 60 60 GLU HG2 H 1 2 0.02 . 2 . . . . 60 GLU HG2 . 16050 1 714 . 1 1 60 60 GLU HG3 H 1 2 0.02 . 2 . . . . 60 GLU HG3 . 16050 1 715 . 1 1 60 60 GLU C C 13 178.95 0.1 . 1 . . . . 60 GLU C . 16050 1 716 . 1 1 60 60 GLU CA C 13 58.6 0.1 . 1 . . . . 60 GLU CA . 16050 1 717 . 1 1 60 60 GLU CB C 13 31.7 0.1 . 1 . . . . 60 GLU CB . 16050 1 718 . 1 1 60 60 GLU CG C 13 29.29 0.1 . 1 . . . . 60 GLU CG . 16050 1 719 . 1 1 60 60 GLU N N 15 116.82 0.1 . 1 . . . . 60 GLU N . 16050 1 720 . 1 1 61 61 LEU H H 1 8.03 0.02 . 1 . . . . 61 LEU H . 16050 1 721 . 1 1 61 61 LEU HA H 1 4.31 0.02 . 1 . . . . 61 LEU HA . 16050 1 722 . 1 1 61 61 LEU HB2 H 1 1.97 0.02 . 2 . . . . 61 LEU HB2 . 16050 1 723 . 1 1 61 61 LEU HB3 H 1 1.97 0.02 . 2 . . . . 61 LEU HB3 . 16050 1 724 . 1 1 61 61 LEU HD11 H 1 0.9 0.02 . 2 . . . . 61 LEU MD1 . 16050 1 725 . 1 1 61 61 LEU HD12 H 1 0.9 0.02 . 2 . . . . 61 LEU MD1 . 16050 1 726 . 1 1 61 61 LEU HD13 H 1 0.9 0.02 . 2 . . . . 61 LEU MD1 . 16050 1 727 . 1 1 61 61 LEU HD21 H 1 0.81 0.02 . 2 . . . . 61 LEU MD2 . 16050 1 728 . 1 1 61 61 LEU HD22 H 1 0.81 0.02 . 2 . . . . 61 LEU MD2 . 16050 1 729 . 1 1 61 61 LEU HD23 H 1 0.81 0.02 . 2 . . . . 61 LEU MD2 . 16050 1 730 . 1 1 61 61 LEU HG H 1 1.9 0.02 . 1 . . . . 61 LEU HG . 16050 1 731 . 1 1 61 61 LEU C C 13 179.45 0.1 . 1 . . . . 61 LEU C . 16050 1 732 . 1 1 61 61 LEU CA C 13 54.84 0.1 . 1 . . . . 61 LEU CA . 16050 1 733 . 1 1 61 61 LEU CB C 13 43.82 0.1 . 1 . . . . 61 LEU CB . 16050 1 734 . 1 1 61 61 LEU CD1 C 13 26.38 0.1 . 2 . . . . 61 LEU CD1 . 16050 1 735 . 1 1 61 61 LEU CD2 C 13 21.5 0.1 . 2 . . . . 61 LEU CD2 . 16050 1 736 . 1 1 61 61 LEU CG C 13 26.59 0.1 . 1 . . . . 61 LEU CG . 16050 1 737 . 1 1 61 61 LEU N N 15 116 0.1 . 1 . . . . 61 LEU N . 16050 1 738 . 1 1 62 62 ASP H H 1 7.89 0.02 . 1 . . . . 62 ASP H . 16050 1 739 . 1 1 62 62 ASP HA H 1 4.66 0.02 . 1 . . . . 62 ASP HA . 16050 1 740 . 1 1 62 62 ASP HB2 H 1 2.75 0.02 . 2 . . . . 62 ASP HB2 . 16050 1 741 . 1 1 62 62 ASP HB3 H 1 2.31 0.02 . 2 . . . . 62 ASP HB3 . 16050 1 742 . 1 1 62 62 ASP C C 13 177.03 0.1 . 1 . . . . 62 ASP C . 16050 1 743 . 1 1 62 62 ASP CA C 13 53.66 0.1 . 1 . . . . 62 ASP CA . 16050 1 744 . 1 1 62 62 ASP CB C 13 38.7 0.1 . 1 . . . . 62 ASP CB . 16050 1 745 . 1 1 62 62 ASP N N 15 117.55 0.1 . 1 . . . . 62 ASP N . 16050 1 746 . 1 1 63 63 GLU H H 1 8.43 0.02 . 1 . . . . 63 GLU H . 16050 1 747 . 1 1 63 63 GLU HA H 1 4.02 0.02 . 1 . . . . 63 GLU HA . 16050 1 748 . 1 1 63 63 GLU HB2 H 1 2.02 0.02 . 2 . . . . 63 GLU HB2 . 16050 1 749 . 1 1 63 63 GLU HB3 H 1 2.07 0.02 . 2 . . . . 63 GLU HB3 . 16050 1 750 . 1 1 63 63 GLU HG2 H 1 2.29 0.02 . 2 . . . . 63 GLU HG2 . 16050 1 751 . 1 1 63 63 GLU HG3 H 1 2.29 0.02 . 2 . . . . 63 GLU HG3 . 16050 1 752 . 1 1 63 63 GLU C C 13 178.12 0.1 . 1 . . . . 63 GLU C . 16050 1 753 . 1 1 63 63 GLU CA C 13 58.47 0.1 . 1 . . . . 63 GLU CA . 16050 1 754 . 1 1 63 63 GLU CB C 13 30.12 0.1 . 1 . . . . 63 GLU CB . 16050 1 755 . 1 1 63 63 GLU CG C 13 36.09 0.1 . 1 . . . . 63 GLU CG . 16050 1 756 . 1 1 63 63 GLU N N 15 130.23 0.1 . 1 . . . . 63 GLU N . 16050 1 757 . 1 1 64 64 ASN H H 1 8.01 0.02 . 1 . . . . 64 ASN H . 16050 1 758 . 1 1 64 64 ASN HA H 1 4.68 0.02 . 1 . . . . 64 ASN HA . 16050 1 759 . 1 1 64 64 ASN HB2 H 1 2.83 0.02 . 2 . . . . 64 ASN HB2 . 16050 1 760 . 1 1 64 64 ASN HB3 H 1 2.83 0.02 . 2 . . . . 64 ASN HB3 . 16050 1 761 . 1 1 64 64 ASN C C 13 177.1 0.1 . 1 . . . . 64 ASN C . 16050 1 762 . 1 1 64 64 ASN CA C 13 51.78 0.1 . 1 . . . . 64 ASN CA . 16050 1 763 . 1 1 64 64 ASN CB C 13 37.26 0.1 . 1 . . . . 64 ASN CB . 16050 1 764 . 1 1 64 64 ASN N N 15 113.64 0.1 . 1 . . . . 64 ASN N . 16050 1 765 . 1 1 65 65 GLY H H 1 7.55 0.02 . 1 . . . . 65 GLY H . 16050 1 766 . 1 1 65 65 GLY HA2 H 1 3.77 0.02 . 2 . . . . 65 GLY HA2 . 16050 1 767 . 1 1 65 65 GLY HA3 H 1 3.77 0.02 . 2 . . . . 65 GLY HA3 . 16050 1 768 . 1 1 65 65 GLY C C 13 178.98 0.1 . 1 . . . . 65 GLY C . 16050 1 769 . 1 1 65 65 GLY CA C 13 47.2 0.1 . 1 . . . . 65 GLY CA . 16050 1 770 . 1 1 65 65 GLY N N 15 113.64 0.1 . 1 . . . . 65 GLY N . 16050 1 771 . 1 1 66 66 ASP H H 1 8.11 0.02 . 1 . . . . 66 ASP H . 16050 1 772 . 1 1 66 66 ASP HA H 1 4.49 0.02 . 1 . . . . 66 ASP HA . 16050 1 773 . 1 1 66 66 ASP HB2 H 1 3.08 0.02 . 2 . . . . 66 ASP HB2 . 16050 1 774 . 1 1 66 66 ASP HB3 H 1 2.39 0.02 . 2 . . . . 66 ASP HB3 . 16050 1 775 . 1 1 66 66 ASP C C 13 177.96 0.1 . 1 . . . . 66 ASP C . 16050 1 776 . 1 1 66 66 ASP CA C 13 52.96 0.1 . 1 . . . . 66 ASP CA . 16050 1 777 . 1 1 66 66 ASP CB C 13 40.54 0.1 . 1 . . . . 66 ASP CB . 16050 1 778 . 1 1 66 66 ASP N N 15 120.03 0.1 . 1 . . . . 66 ASP N . 16050 1 779 . 1 1 67 67 GLY H H 1 10.26 0.02 . 1 . . . . 67 GLY H . 16050 1 780 . 1 1 67 67 GLY HA2 H 1 3.36 0.02 . 2 . . . . 67 GLY HA2 . 16050 1 781 . 1 1 67 67 GLY HA3 H 1 4 0.02 . 2 . . . . 67 GLY HA3 . 16050 1 782 . 1 1 67 67 GLY C C 13 173.12 0.1 . 1 . . . . 67 GLY C . 16050 1 783 . 1 1 67 67 GLY CA C 13 45.46 0.1 . 1 . . . . 67 GLY CA . 16050 1 784 . 1 1 67 67 GLY N N 15 114.1 0.1 . 1 . . . . 67 GLY N . 16050 1 785 . 1 1 68 68 GLU H H 1 7.75 0.02 . 1 . . . . 68 GLU H . 16050 1 786 . 1 1 68 68 GLU HA H 1 4.78 0.02 . 1 . . . . 68 GLU HA . 16050 1 787 . 1 1 68 68 GLU HB2 H 1 1.28 0.02 . 2 . . . . 68 GLU HB2 . 16050 1 788 . 1 1 68 68 GLU HB3 H 1 1.28 0.02 . 2 . . . . 68 GLU HB3 . 16050 1 789 . 1 1 68 68 GLU HG2 H 1 1.97 0.02 . 2 . . . . 68 GLU HG2 . 16050 1 790 . 1 1 68 68 GLU HG3 H 1 1.97 0.02 . 2 . . . . 68 GLU HG3 . 16050 1 791 . 1 1 68 68 GLU C C 13 175.93 0.1 . 1 . . . . 68 GLU C . 16050 1 792 . 1 1 68 68 GLU CA C 13 54.43 0.1 . 1 . . . . 68 GLU CA . 16050 1 793 . 1 1 68 68 GLU CB C 13 35.85 0.1 . 1 . . . . 68 GLU CB . 16050 1 794 . 1 1 68 68 GLU CG C 13 37.38 0.1 . 1 . . . . 68 GLU CG . 16050 1 795 . 1 1 68 68 GLU N N 15 118 0.1 . 1 . . . . 68 GLU N . 16050 1 796 . 1 1 69 69 VAL H H 1 9.38 0.02 . 1 . . . . 69 VAL H . 16050 1 797 . 1 1 69 69 VAL HA H 1 5.26 0.02 . 1 . . . . 69 VAL HA . 16050 1 798 . 1 1 69 69 VAL HB H 1 1.89 0.02 . 1 . . . . 69 VAL HB . 16050 1 799 . 1 1 69 69 VAL HG11 H 1 1.18 0.02 . 2 . . . . 69 VAL MG1 . 16050 1 800 . 1 1 69 69 VAL HG12 H 1 1.18 0.02 . 2 . . . . 69 VAL MG1 . 16050 1 801 . 1 1 69 69 VAL HG13 H 1 1.18 0.02 . 2 . . . . 69 VAL MG1 . 16050 1 802 . 1 1 69 69 VAL HG21 H 1 0.86 0.02 . 2 . . . . 69 VAL MG2 . 16050 1 803 . 1 1 69 69 VAL HG22 H 1 0.86 0.02 . 2 . . . . 69 VAL MG2 . 16050 1 804 . 1 1 69 69 VAL HG23 H 1 0.86 0.02 . 2 . . . . 69 VAL MG2 . 16050 1 805 . 1 1 69 69 VAL C C 13 176.71 0.1 . 1 . . . . 69 VAL C . 16050 1 806 . 1 1 69 69 VAL CA C 13 61.28 0.1 . 1 . . . . 69 VAL CA . 16050 1 807 . 1 1 69 69 VAL CB C 13 33.98 0.1 . 1 . . . . 69 VAL CB . 16050 1 808 . 1 1 69 69 VAL CG1 C 13 22 0.1 . 2 . . . . 69 VAL CG1 . 16050 1 809 . 1 1 69 69 VAL CG2 C 13 22.5 0.1 . 2 . . . . 69 VAL CG2 . 16050 1 810 . 1 1 69 69 VAL N N 15 125.97 0.1 . 1 . . . . 69 VAL N . 16050 1 811 . 1 1 70 70 ASP H H 1 9.1 0.02 . 1 . . . . 70 ASP H . 16050 1 812 . 1 1 70 70 ASP HA H 1 5.19 0.02 . 1 . . . . 70 ASP HA . 16050 1 813 . 1 1 70 70 ASP HB2 H 1 2.39 0.02 . 2 . . . . 70 ASP HB2 . 16050 1 814 . 1 1 70 70 ASP HB3 H 1 2.39 0.02 . 2 . . . . 70 ASP HB3 . 16050 1 815 . 1 1 70 70 ASP C C 13 175.7 0.1 . 1 . . . . 70 ASP C . 16050 1 816 . 1 1 70 70 ASP CA C 13 52.37 0.1 . 1 . . . . 70 ASP CA . 16050 1 817 . 1 1 70 70 ASP CB C 13 40.95 0.1 . 1 . . . . 70 ASP CB . 16050 1 818 . 1 1 70 70 ASP N N 15 130.32 0.1 . 1 . . . . 70 ASP N . 16050 1 819 . 1 1 71 71 PHE H H 1 9.09 0.02 . 1 . . . . 71 PHE H . 16050 1 820 . 1 1 71 71 PHE HA H 1 4.1 0.02 . 1 . . . . 71 PHE HA . 16050 1 821 . 1 1 71 71 PHE HB2 H 1 2.43 0.02 . 2 . . . . 71 PHE HB2 . 16050 1 822 . 1 1 71 71 PHE HB3 H 1 2.43 0.02 . 2 . . . . 71 PHE HB3 . 16050 1 823 . 1 1 71 71 PHE C C 13 177 0.1 . 1 . . . . 71 PHE C . 16050 1 824 . 1 1 71 71 PHE CA C 13 58.23 0.1 . 1 . . . . 71 PHE CA . 16050 1 825 . 1 1 71 71 PHE CB C 13 36.91 0.1 . 1 . . . . 71 PHE CB . 16050 1 826 . 1 1 71 71 PHE N N 15 119.76 0.1 . 1 . . . . 71 PHE N . 16050 1 827 . 1 1 72 72 GLN H H 1 8.44 0.02 . 1 . . . . 72 GLN H . 16050 1 828 . 1 1 72 72 GLN HA H 1 3.6 0.02 . 1 . . . . 72 GLN HA . 16050 1 829 . 1 1 72 72 GLN HB2 H 1 2.5 0.02 . 2 . . . . 72 GLN HB2 . 16050 1 830 . 1 1 72 72 GLN HB3 H 1 2.5 0.02 . 2 . . . . 72 GLN HB3 . 16050 1 831 . 1 1 72 72 GLN C C 13 178.82 0.1 . 1 . . . . 72 GLN C . 16050 1 832 . 1 1 72 72 GLN CA C 13 59.5 0.1 . 1 . . . . 72 GLN CA . 16050 1 833 . 1 1 72 72 GLN CB C 13 29.553 0.1 . 1 . . . . 72 GLN CB . 16050 1 834 . 1 1 72 72 GLN CG C 13 34.2 0.1 . 1 . . . . 72 GLN CG . 16050 1 835 . 1 1 72 72 GLN N N 15 121.82 0.1 . 1 . . . . 72 GLN N . 16050 1 836 . 1 1 73 73 GLU H H 1 8.29 0.02 . 1 . . . . 73 GLU H . 16050 1 837 . 1 1 73 73 GLU HA H 1 4.07 0.02 . 1 . . . . 73 GLU HA . 16050 1 838 . 1 1 73 73 GLU HB2 H 1 1.96 0.02 . 2 . . . . 73 GLU HB2 . 16050 1 839 . 1 1 73 73 GLU HB3 H 1 1.96 0.02 . 2 . . . . 73 GLU HB3 . 16050 1 840 . 1 1 73 73 GLU HG2 H 1 2.43 0.02 . 2 . . . . 73 GLU HG2 . 16050 1 841 . 1 1 73 73 GLU HG3 H 1 2.43 0.02 . 2 . . . . 73 GLU HG3 . 16050 1 842 . 1 1 73 73 GLU C C 13 179.37 0.1 . 1 . . . . 73 GLU C . 16050 1 843 . 1 1 73 73 GLU CA C 13 58.03 0.1 . 1 . . . . 73 GLU CA . 16050 1 844 . 1 1 73 73 GLU CB C 13 29.53 0.1 . 1 . . . . 73 GLU CB . 16050 1 845 . 1 1 73 73 GLU CG C 13 37.02 0.1 . 1 . . . . 73 GLU CG . 16050 1 846 . 1 1 73 73 GLU N N 15 120.55 0.1 . 1 . . . . 73 GLU N . 16050 1 847 . 1 1 74 74 PHE H H 1 8.63 0.02 . 1 . . . . 74 PHE H . 16050 1 848 . 1 1 74 74 PHE HA H 1 4.02 0.02 . 1 . . . . 74 PHE HA . 16050 1 849 . 1 1 74 74 PHE HB2 H 1 2.96 0.02 . 2 . . . . 74 PHE HB2 . 16050 1 850 . 1 1 74 74 PHE HB3 H 1 2.96 0.02 . 2 . . . . 74 PHE HB3 . 16050 1 851 . 1 1 74 74 PHE C C 13 177.89 0.1 . 1 . . . . 74 PHE C . 16050 1 852 . 1 1 74 74 PHE CA C 13 60.09 0.1 . 1 . . . . 74 PHE CA . 16050 1 853 . 1 1 74 74 PHE CB C 13 38.02 0.1 . 1 . . . . 74 PHE CB . 16050 1 854 . 1 1 74 74 PHE N N 15 121.01 0.1 . 1 . . . . 74 PHE N . 16050 1 855 . 1 1 75 75 VAL H H 1 8.08 0.02 . 1 . . . . 75 VAL H . 16050 1 856 . 1 1 75 75 VAL HA H 1 2.86 0.02 . 1 . . . . 75 VAL HA . 16050 1 857 . 1 1 75 75 VAL HB H 1 1.64 0.02 . 1 . . . . 75 VAL HB . 16050 1 858 . 1 1 75 75 VAL HG11 H 1 0.4 0.02 . 2 . . . . 75 VAL MG1 . 16050 1 859 . 1 1 75 75 VAL HG12 H 1 0.4 0.02 . 2 . . . . 75 VAL MG1 . 16050 1 860 . 1 1 75 75 VAL HG13 H 1 0.4 0.02 . 2 . . . . 75 VAL MG1 . 16050 1 861 . 1 1 75 75 VAL HG21 H 1 0.7 0.02 . 2 . . . . 75 VAL MG2 . 16050 1 862 . 1 1 75 75 VAL HG22 H 1 0.7 0.02 . 2 . . . . 75 VAL MG2 . 16050 1 863 . 1 1 75 75 VAL HG23 H 1 0.7 0.02 . 2 . . . . 75 VAL MG2 . 16050 1 864 . 1 1 75 75 VAL C C 13 177.03 0.1 . 1 . . . . 75 VAL C . 16050 1 865 . 1 1 75 75 VAL CA C 13 66.43 0.1 . 1 . . . . 75 VAL CA . 16050 1 866 . 1 1 75 75 VAL CB C 13 30.6 0.1 . 1 . . . . 75 VAL CB . 16050 1 867 . 1 1 75 75 VAL CG1 C 13 23.4 0.1 . 2 . . . . 75 VAL CG1 . 16050 1 868 . 1 1 75 75 VAL CG2 C 13 21.7 0.1 . 2 . . . . 75 VAL CG2 . 16050 1 869 . 1 1 75 75 VAL N N 15 119.46 0.1 . 1 . . . . 75 VAL N . 16050 1 870 . 1 1 76 76 VAL H H 1 7.1 0.02 . 1 . . . . 76 VAL H . 16050 1 871 . 1 1 76 76 VAL HA H 1 3.33 0.02 . 1 . . . . 76 VAL HA . 16050 1 872 . 1 1 76 76 VAL HB H 1 2.21 0.02 . 1 . . . . 76 VAL HB . 16050 1 873 . 1 1 76 76 VAL HG11 H 1 1 0.02 . 2 . . . . 76 VAL MG1 . 16050 1 874 . 1 1 76 76 VAL HG12 H 1 1 0.02 . 2 . . . . 76 VAL MG1 . 16050 1 875 . 1 1 76 76 VAL HG13 H 1 1 0.02 . 2 . . . . 76 VAL MG1 . 16050 1 876 . 1 1 76 76 VAL HG21 H 1 0.77 0.02 . 2 . . . . 76 VAL MG2 . 16050 1 877 . 1 1 76 76 VAL HG22 H 1 0.77 0.02 . 2 . . . . 76 VAL MG2 . 16050 1 878 . 1 1 76 76 VAL HG23 H 1 0.77 0.02 . 2 . . . . 76 VAL MG2 . 16050 1 879 . 1 1 76 76 VAL C C 13 178.67 0.1 . 1 . . . . 76 VAL C . 16050 1 880 . 1 1 76 76 VAL CA C 13 67 0.1 . 1 . . . . 76 VAL CA . 16050 1 881 . 1 1 76 76 VAL CB C 13 31.28 0.1 . 1 . . . . 76 VAL CB . 16050 1 882 . 1 1 76 76 VAL CG1 C 13 22.73 0.1 . 2 . . . . 76 VAL CG1 . 16050 1 883 . 1 1 76 76 VAL CG2 C 13 20.6 0.1 . 2 . . . . 76 VAL CG2 . 16050 1 884 . 1 1 76 76 VAL N N 15 121.03 0.1 . 1 . . . . 76 VAL N . 16050 1 885 . 1 1 77 77 LEU H H 1 6.9 0.02 . 1 . . . . 77 LEU H . 16050 1 886 . 1 1 77 77 LEU HA H 1 3.8 0.02 . 1 . . . . 77 LEU HA . 16050 1 887 . 1 1 77 77 LEU HB2 H 1 1.9 0.02 . 2 . . . . 77 LEU HB2 . 16050 1 888 . 1 1 77 77 LEU HB3 H 1 1.9 0.02 . 2 . . . . 77 LEU HB3 . 16050 1 889 . 1 1 77 77 LEU HD11 H 1 0.6 0.02 . 2 . . . . 77 LEU MD1 . 16050 1 890 . 1 1 77 77 LEU HD12 H 1 0.6 0.02 . 2 . . . . 77 LEU MD1 . 16050 1 891 . 1 1 77 77 LEU HD13 H 1 0.6 0.02 . 2 . . . . 77 LEU MD1 . 16050 1 892 . 1 1 77 77 LEU HD21 H 1 0.8 0.02 . 2 . . . . 77 LEU MD2 . 16050 1 893 . 1 1 77 77 LEU HD22 H 1 0.8 0.02 . 2 . . . . 77 LEU MD2 . 16050 1 894 . 1 1 77 77 LEU HD23 H 1 0.8 0.02 . 2 . . . . 77 LEU MD2 . 16050 1 895 . 1 1 77 77 LEU HG H 1 0.9 0.02 . 1 . . . . 77 LEU HG . 16050 1 896 . 1 1 77 77 LEU C C 13 177.96 0.1 . 1 . . . . 77 LEU C . 16050 1 897 . 1 1 77 77 LEU CA C 13 57.71 0.1 . 1 . . . . 77 LEU CA . 16050 1 898 . 1 1 77 77 LEU CB C 13 40.07 0.1 . 1 . . . . 77 LEU CB . 16050 1 899 . 1 1 77 77 LEU CD1 C 13 24.95 0.1 . 2 . . . . 77 LEU CD1 . 16050 1 900 . 1 1 77 77 LEU CD2 C 13 22.5 0.1 . 2 . . . . 77 LEU CD2 . 16050 1 901 . 1 1 77 77 LEU CG C 13 28 0.1 . 1 . . . . 77 LEU CG . 16050 1 902 . 1 1 77 77 LEU N N 15 120.31 0.1 . 1 . . . . 77 LEU N . 16050 1 903 . 1 1 78 78 VAL H H 1 7.24 0.02 . 1 . . . . 78 VAL H . 16050 1 904 . 1 1 78 78 VAL HA H 1 3.03 0.02 . 1 . . . . 78 VAL HA . 16050 1 905 . 1 1 78 78 VAL HB H 1 1.57 0.02 . 1 . . . . 78 VAL HB . 16050 1 906 . 1 1 78 78 VAL HG11 H 1 0.6 0.02 . 2 . . . . 78 VAL MG1 . 16050 1 907 . 1 1 78 78 VAL HG12 H 1 0.6 0.02 . 2 . . . . 78 VAL MG1 . 16050 1 908 . 1 1 78 78 VAL HG13 H 1 0.6 0.02 . 2 . . . . 78 VAL MG1 . 16050 1 909 . 1 1 78 78 VAL HG21 H 1 0.24 0.02 . 2 . . . . 78 VAL MG2 . 16050 1 910 . 1 1 78 78 VAL HG22 H 1 0.24 0.02 . 2 . . . . 78 VAL MG2 . 16050 1 911 . 1 1 78 78 VAL HG23 H 1 0.24 0.02 . 2 . . . . 78 VAL MG2 . 16050 1 912 . 1 1 78 78 VAL C C 13 179.6 0.1 . 1 . . . . 78 VAL C . 16050 1 913 . 1 1 78 78 VAL CA C 13 66.42 0.1 . 1 . . . . 78 VAL CA . 16050 1 914 . 1 1 78 78 VAL CB C 13 30.7 0.1 . 1 . . . . 78 VAL CB . 16050 1 915 . 1 1 78 78 VAL CG1 C 13 20.62 0.1 . 2 . . . . 78 VAL CG1 . 16050 1 916 . 1 1 78 78 VAL CG2 C 13 23 0.1 . 2 . . . . 78 VAL CG2 . 16050 1 917 . 1 1 78 78 VAL N N 15 117.18 0.1 . 1 . . . . 78 VAL N . 16050 1 918 . 1 1 79 79 ALA H H 1 9 0.02 . 1 . . . . 79 ALA H . 16050 1 919 . 1 1 79 79 ALA HA H 1 3.61 0.02 . 1 . . . . 79 ALA HA . 16050 1 920 . 1 1 79 79 ALA HB1 H 1 1.18 0.02 . 1 . . . . 79 ALA MB . 16050 1 921 . 1 1 79 79 ALA HB2 H 1 1.18 0.02 . 1 . . . . 79 ALA MB . 16050 1 922 . 1 1 79 79 ALA HB3 H 1 1.18 0.02 . 1 . . . . 79 ALA MB . 16050 1 923 . 1 1 79 79 ALA C C 13 182.26 0.1 . 1 . . . . 79 ALA C . 16050 1 924 . 1 1 79 79 ALA CA C 13 55.58 0.1 . 1 . . . . 79 ALA CA . 16050 1 925 . 1 1 79 79 ALA CB C 13 18.4 0.1 . 1 . . . . 79 ALA CB . 16050 1 926 . 1 1 79 79 ALA N N 15 126 0.1 . 1 . . . . 79 ALA N . 16050 1 927 . 1 1 80 80 ALA H H 1 8 0.02 . 1 . . . . 80 ALA H . 16050 1 928 . 1 1 80 80 ALA HA H 1 4.1 0.02 . 1 . . . . 80 ALA HA . 16050 1 929 . 1 1 80 80 ALA HB1 H 1 1.28 0.02 . 1 . . . . 80 ALA MB . 16050 1 930 . 1 1 80 80 ALA HB2 H 1 1.28 0.02 . 1 . . . . 80 ALA MB . 16050 1 931 . 1 1 80 80 ALA HB3 H 1 1.28 0.02 . 1 . . . . 80 ALA MB . 16050 1 932 . 1 1 80 80 ALA C C 13 175.46 0.1 . 1 . . . . 80 ALA C . 16050 1 933 . 1 1 80 80 ALA CA C 13 56.02 0.1 . 1 . . . . 80 ALA CA . 16050 1 934 . 1 1 80 80 ALA CB C 13 18.04 0.1 . 1 . . . . 80 ALA CB . 16050 1 935 . 1 1 80 80 ALA N N 15 120.73 0.1 . 1 . . . . 80 ALA N . 16050 1 936 . 1 1 81 81 LEU H H 1 8.46 0.02 . 1 . . . . 81 LEU H . 16050 1 937 . 1 1 81 81 LEU HA H 1 4 0.02 . 1 . . . . 81 LEU HA . 16050 1 938 . 1 1 81 81 LEU HB2 H 1 2.36 0.02 . 2 . . . . 81 LEU HB2 . 16050 1 939 . 1 1 81 81 LEU HB3 H 1 2.36 0.02 . 2 . . . . 81 LEU HB3 . 16050 1 940 . 1 1 81 81 LEU HG H 1 1.32 0.02 . 1 . . . . 81 LEU HG . 16050 1 941 . 1 1 81 81 LEU C C 13 177.03 0.1 . 1 . . . . 81 LEU C . 16050 1 942 . 1 1 81 81 LEU CA C 13 57.64 0.1 . 1 . . . . 81 LEU CA . 16050 1 943 . 1 1 81 81 LEU CB C 13 40.62 0.1 . 1 . . . . 81 LEU CB . 16050 1 944 . 1 1 81 81 LEU CG C 13 26.59 0.1 . 1 . . . . 81 LEU CG . 16050 1 945 . 1 1 81 81 LEU N N 15 119.89 0.1 . 1 . . . . 81 LEU N . 16050 1 946 . 1 1 82 82 THR H H 1 8.32 0.02 . 1 . . . . 82 THR H . 16050 1 947 . 1 1 82 82 THR HA H 1 3.8 0.02 . 1 . . . . 82 THR HA . 16050 1 948 . 1 1 82 82 THR HB H 1 4.4 0.02 . 1 . . . . 82 THR HB . 16050 1 949 . 1 1 82 82 THR HG21 H 1 1.56 0.02 . 1 . . . . 82 THR MG . 16050 1 950 . 1 1 82 82 THR HG22 H 1 1.56 0.02 . 1 . . . . 82 THR MG . 16050 1 951 . 1 1 82 82 THR HG23 H 1 1.56 0.02 . 1 . . . . 82 THR MG . 16050 1 952 . 1 1 82 82 THR C C 13 181.01 0.1 . 1 . . . . 82 THR C . 16050 1 953 . 1 1 82 82 THR CA C 13 68.5 0.1 . 1 . . . . 82 THR CA . 16050 1 954 . 1 1 82 82 THR CB C 13 67.4 0.1 . 1 . . . . 82 THR CB . 16050 1 955 . 1 1 82 82 THR CG2 C 13 22.6 0.1 . 1 . . . . 82 THR CG2 . 16050 1 956 . 1 1 82 82 THR N N 15 117.12 0.1 . 1 . . . . 82 THR N . 16050 1 957 . 1 1 83 83 VAL H H 1 8.53 0.02 . 1 . . . . 83 VAL H . 16050 1 958 . 1 1 83 83 VAL HA H 1 3.89 0.02 . 1 . . . . 83 VAL HA . 16050 1 959 . 1 1 83 83 VAL HB H 1 2.12 0.02 . 1 . . . . 83 VAL HB . 16050 1 960 . 1 1 83 83 VAL HG11 H 1 1.14 0.02 . 2 . . . . 83 VAL MG1 . 16050 1 961 . 1 1 83 83 VAL HG12 H 1 1.14 0.02 . 2 . . . . 83 VAL MG1 . 16050 1 962 . 1 1 83 83 VAL HG13 H 1 1.14 0.02 . 2 . . . . 83 VAL MG1 . 16050 1 963 . 1 1 83 83 VAL HG21 H 1 1 0.02 . 2 . . . . 83 VAL MG2 . 16050 1 964 . 1 1 83 83 VAL HG22 H 1 1 0.02 . 2 . . . . 83 VAL MG2 . 16050 1 965 . 1 1 83 83 VAL HG23 H 1 1 0.02 . 2 . . . . 83 VAL MG2 . 16050 1 966 . 1 1 83 83 VAL C C 13 178.12 0.1 . 1 . . . . 83 VAL C . 16050 1 967 . 1 1 83 83 VAL CA C 13 67.4 0.1 . 1 . . . . 83 VAL CA . 16050 1 968 . 1 1 83 83 VAL CB C 13 31.59 0.1 . 1 . . . . 83 VAL CB . 16050 1 969 . 1 1 83 83 VAL CG1 C 13 23.9 0.1 . 2 . . . . 83 VAL CG1 . 16050 1 970 . 1 1 83 83 VAL CG2 C 13 23.9 0.1 . 2 . . . . 83 VAL CG2 . 16050 1 971 . 1 1 83 83 VAL N N 15 119.76 0.1 . 1 . . . . 83 VAL N . 16050 1 972 . 1 1 84 84 ALA H H 1 7.91 0.02 . 1 . . . . 84 ALA H . 16050 1 973 . 1 1 84 84 ALA HA H 1 4.06 0.02 . 1 . . . . 84 ALA HA . 16050 1 974 . 1 1 84 84 ALA HB1 H 1 1.43 0.02 . 1 . . . . 84 ALA MB . 16050 1 975 . 1 1 84 84 ALA HB2 H 1 1.43 0.02 . 1 . . . . 84 ALA MB . 16050 1 976 . 1 1 84 84 ALA HB3 H 1 1.43 0.02 . 1 . . . . 84 ALA MB . 16050 1 977 . 1 1 84 84 ALA C C 13 180.56 0.1 . 1 . . . . 84 ALA C . 16050 1 978 . 1 1 84 84 ALA CA C 13 55 0.1 . 1 . . . . 84 ALA CA . 16050 1 979 . 1 1 84 84 ALA CB C 13 17.23 0.1 . 1 . . . . 84 ALA CB . 16050 1 980 . 1 1 84 84 ALA N N 15 122.62 0.1 . 1 . . . . 84 ALA N . 16050 1 981 . 1 1 85 85 CYS H H 1 8.58 0.02 . 1 . . . . 85 CYS H . 16050 1 982 . 1 1 85 85 CYS HA H 1 4.08 0.02 . 1 . . . . 85 CYS HA . 16050 1 983 . 1 1 85 85 CYS HB2 H 1 3.04 0.02 . 2 . . . . 85 CYS HB2 . 16050 1 984 . 1 1 85 85 CYS HB3 H 1 2.97 0.02 . 2 . . . . 85 CYS HB3 . 16050 1 985 . 1 1 85 85 CYS C C 13 179.06 0.1 . 1 . . . . 85 CYS C . 16050 1 986 . 1 1 85 85 CYS CA C 13 63.21 0.1 . 1 . . . . 85 CYS CA . 16050 1 987 . 1 1 85 85 CYS CB C 13 26.31 0.1 . 1 . . . . 85 CYS CB . 16050 1 988 . 1 1 85 85 CYS N N 15 118.73 0.1 . 1 . . . . 85 CYS N . 16050 1 989 . 1 1 86 86 ASN H H 1 8.43 0.02 . 1 . . . . 86 ASN H . 16050 1 990 . 1 1 86 86 ASN CA C 13 55.86 0.1 . 1 . . . . 86 ASN CA . 16050 1 991 . 1 1 86 86 ASN CB C 13 37.44 0.1 . 1 . . . . 86 ASN CB . 16050 1 992 . 1 1 86 86 ASN N N 15 119.36 0.1 . 1 . . . . 86 ASN N . 16050 1 993 . 1 1 87 87 ASN H H 1 7.88 0.02 . 1 . . . . 87 ASN H . 16050 1 994 . 1 1 87 87 ASN HA H 1 4.6 0.02 . 1 . . . . 87 ASN HA . 16050 1 995 . 1 1 87 87 ASN HB2 H 1 2.9 0.02 . 2 . . . . 87 ASN HB2 . 16050 1 996 . 1 1 87 87 ASN HB3 H 1 2.9 0.02 . 2 . . . . 87 ASN HB3 . 16050 1 997 . 1 1 87 87 ASN C C 13 178.51 0.1 . 1 . . . . 87 ASN C . 16050 1 998 . 1 1 87 87 ASN CA C 13 56.47 0.1 . 1 . . . . 87 ASN CA . 16050 1 999 . 1 1 87 87 ASN CB C 13 37.5 0.1 . 1 . . . . 87 ASN CB . 16050 1 1000 . 1 1 87 87 ASN N N 15 119.48 0.1 . 1 . . . . 87 ASN N . 16050 1 1001 . 1 1 88 88 PHE H H 1 8.05 0.02 . 1 . . . . 88 PHE H . 16050 1 1002 . 1 1 88 88 PHE HA H 1 4.2 0.02 . 1 . . . . 88 PHE HA . 16050 1 1003 . 1 1 88 88 PHE HB2 H 1 3.05 0.02 . 2 . . . . 88 PHE HB2 . 16050 1 1004 . 1 1 88 88 PHE HB3 H 1 3.085 0.02 . 2 . . . . 88 PHE HB3 . 16050 1 1005 . 1 1 88 88 PHE C C 13 178.51 0.1 . 1 . . . . 88 PHE C . 16050 1 1006 . 1 1 88 88 PHE CA C 13 56.46 0.1 . 1 . . . . 88 PHE CA . 16050 1 1007 . 1 1 88 88 PHE CB C 13 38.5 0.1 . 1 . . . . 88 PHE CB . 16050 1 1008 . 1 1 88 88 PHE N N 15 120.28 0.1 . 1 . . . . 88 PHE N . 16050 1 1009 . 1 1 89 89 PHE H H 1 8.02 0.02 . 1 . . . . 89 PHE H . 16050 1 1010 . 1 1 89 89 PHE HA H 1 4 0.02 . 1 . . . . 89 PHE HA . 16050 1 1011 . 1 1 89 89 PHE HB2 H 1 2.61 0.02 . 2 . . . . 89 PHE HB2 . 16050 1 1012 . 1 1 89 89 PHE HB3 H 1 2.61 0.02 . 2 . . . . 89 PHE HB3 . 16050 1 1013 . 1 1 89 89 PHE C C 13 177.34 0.1 . 1 . . . . 89 PHE C . 16050 1 1014 . 1 1 89 89 PHE CA C 13 59 0.1 . 1 . . . . 89 PHE CA . 16050 1 1015 . 1 1 89 89 PHE CB C 13 37.43 0.1 . 1 . . . . 89 PHE CB . 16050 1 1016 . 1 1 89 89 PHE N N 15 120.91 0.1 . 1 . . . . 89 PHE N . 16050 1 1017 . 1 1 90 90 TRP H H 1 7.8 0.02 . 1 . . . . 90 TRP H . 16050 1 1018 . 1 1 90 90 TRP HA H 1 4.46 0.02 . 1 . . . . 90 TRP HA . 16050 1 1019 . 1 1 90 90 TRP HB2 H 1 2.7 0.02 . 2 . . . . 90 TRP HB2 . 16050 1 1020 . 1 1 90 90 TRP HB3 H 1 2.7 0.02 . 2 . . . . 90 TRP HB3 . 16050 1 1021 . 1 1 90 90 TRP C C 13 177.34 0.1 . 1 . . . . 90 TRP C . 16050 1 1022 . 1 1 90 90 TRP CA C 13 57.93 0.1 . 1 . . . . 90 TRP CA . 16050 1 1023 . 1 1 90 90 TRP CB C 13 42 0.1 . 1 . . . . 90 TRP CB . 16050 1 1024 . 1 1 90 90 TRP N N 15 120.05 0.1 . 1 . . . . 90 TRP N . 16050 1 1025 . 1 1 91 91 GLU H H 1 7.8 0.02 . 1 . . . . 91 GLU H . 16050 1 1026 . 1 1 91 91 GLU HA H 1 4.05 0.02 . 1 . . . . 91 GLU HA . 16050 1 1027 . 1 1 91 91 GLU HB2 H 1 1.83 0.02 . 2 . . . . 91 GLU HB2 . 16050 1 1028 . 1 1 91 91 GLU HB3 H 1 1.83 0.02 . 2 . . . . 91 GLU HB3 . 16050 1 1029 . 1 1 91 91 GLU HG2 H 1 2.08 0.02 . 2 . . . . 91 GLU HG2 . 16050 1 1030 . 1 1 91 91 GLU HG3 H 1 2.08 0.02 . 2 . . . . 91 GLU HG3 . 16050 1 1031 . 1 1 91 91 GLU C C 13 177.57 0.1 . 1 . . . . 91 GLU C . 16050 1 1032 . 1 1 91 91 GLU CA C 13 57.35 0.1 . 1 . . . . 91 GLU CA . 16050 1 1033 . 1 1 91 91 GLU CB C 13 29.53 0.1 . 1 . . . . 91 GLU CB . 16050 1 1034 . 1 1 91 91 GLU CG C 13 33.98 0.1 . 1 . . . . 91 GLU CG . 16050 1 1035 . 1 1 91 91 GLU N N 15 120.73 0.1 . 1 . . . . 91 GLU N . 16050 1 1036 . 1 1 92 92 ASN H H 1 7.8 0.02 . 1 . . . . 92 ASN H . 16050 1 1037 . 1 1 92 92 ASN HA H 1 4.63 0.02 . 1 . . . . 92 ASN HA . 16050 1 1038 . 1 1 92 92 ASN HB2 H 1 2.34 0.02 . 2 . . . . 92 ASN HB2 . 16050 1 1039 . 1 1 92 92 ASN HB3 H 1 2.69 0.02 . 2 . . . . 92 ASN HB3 . 16050 1 1040 . 1 1 92 92 ASN C C 13 174.45 0.1 . 1 . . . . 92 ASN C . 16050 1 1041 . 1 1 92 92 ASN CA C 13 52.96 0.1 . 1 . . . . 92 ASN CA . 16050 1 1042 . 1 1 92 92 ASN CB C 13 29.53 0.1 . 1 . . . . 92 ASN CB . 16050 1 1043 . 1 1 92 92 ASN N N 15 119.41 0.1 . 1 . . . . 92 ASN N . 16050 1 1044 . 1 1 93 93 SER H H 1 7.6 0.02 . 1 . . . . 93 SER H . 16050 1 1045 . 1 1 93 93 SER HA H 1 3.74 0.02 . 1 . . . . 93 SER HA . 16050 1 1046 . 1 1 93 93 SER HB2 H 1 4.1 0.02 . 2 . . . . 93 SER HB2 . 16050 1 1047 . 1 1 93 93 SER HB3 H 1 4.1 0.02 . 2 . . . . 93 SER HB3 . 16050 1 1048 . 1 1 93 93 SER CA C 13 64.5 0.1 . 1 . . . . 93 SER CA . 16050 1 1049 . 1 1 93 93 SER CB C 13 59.8 0.1 . 1 . . . . 93 SER CB . 16050 1 1050 . 1 1 93 93 SER N N 15 122.14 0.1 . 1 . . . . 93 SER N . 16050 1 1051 . 3 2 1 1 THR HA H 1 4.24 0.02 . 1 . . . . 1 THR HA . 16050 1 1052 . 3 2 1 1 THR HB H 1 4.13 0.02 . 1 . . . . 1 THR HB . 16050 1 1053 . 3 2 1 1 THR HG21 H 1 1.16 0.02 . 1 . . . . 1 THR MG . 16050 1 1054 . 3 2 1 1 THR HG22 H 1 1.16 0.02 . 1 . . . . 1 THR MG . 16050 1 1055 . 3 2 1 1 THR HG23 H 1 1.16 0.02 . 1 . . . . 1 THR MG . 16050 1 1056 . 3 2 2 2 ARG HA H 1 4.35 0.02 . 1 . . . . 2 ARG HA . 16050 1 1057 . 3 2 2 2 ARG HB2 H 1 1.82 0.02 . 2 . . . . 2 ARG HB2 . 16050 1 1058 . 3 2 2 2 ARG HB3 H 1 1.74 0.02 . 2 . . . . 2 ARG HB3 . 16050 1 1059 . 3 2 2 2 ARG HD2 H 1 3.08 0.02 . 2 . . . . 2 ARG HD2 . 16050 1 1060 . 3 2 2 2 ARG HD3 H 1 3.08 0.02 . 2 . . . . 2 ARG HD3 . 16050 1 1061 . 3 2 2 2 ARG HG2 H 1 1.58 0.02 . 2 . . . . 2 ARG HG2 . 16050 1 1062 . 3 2 2 2 ARG HG3 H 1 1.58 0.02 . 2 . . . . 2 ARG HG3 . 16050 1 1063 . 3 2 3 3 THR HA H 1 4.22 0.02 . 1 . . . . 3 THR HA . 16050 1 1064 . 3 2 3 3 THR HB H 1 4.1 0.02 . 1 . . . . 3 THR HB . 16050 1 1065 . 3 2 3 3 THR HG21 H 1 1.09 0.02 . 1 . . . . 3 THR MG . 16050 1 1066 . 3 2 3 3 THR HG22 H 1 1.09 0.02 . 1 . . . . 3 THR MG . 16050 1 1067 . 3 2 3 3 THR HG23 H 1 1.09 0.02 . 1 . . . . 3 THR MG . 16050 1 1068 . 3 2 4 4 LYS HA H 1 4.32 0.02 . 1 . . . . 4 LYS HA . 16050 1 1069 . 3 2 4 4 LYS HB2 H 1 1.74 0.02 . 2 . . . . 4 LYS HB2 . 16050 1 1070 . 3 2 4 4 LYS HB3 H 1 1.74 0.02 . 2 . . . . 4 LYS HB3 . 16050 1 1071 . 3 2 4 4 LYS HD2 H 1 1.59 0.02 . 2 . . . . 4 LYS HD2 . 16050 1 1072 . 3 2 4 4 LYS HD3 H 1 1.59 0.02 . 2 . . . . 4 LYS HD3 . 16050 1 1073 . 3 2 4 4 LYS HE2 H 1 2.94 0.02 . 2 . . . . 4 LYS HE2 . 16050 1 1074 . 3 2 4 4 LYS HE3 H 1 2.94 0.02 . 2 . . . . 4 LYS HE3 . 16050 1 1075 . 3 2 4 4 LYS HG2 H 1 1.36 0.02 . 2 . . . . 4 LYS HG2 . 16050 1 1076 . 3 2 4 4 LYS HG3 H 1 1.28 0.02 . 2 . . . . 4 LYS HG3 . 16050 1 1077 . 3 2 5 5 ILE HA H 1 4.06 0.02 . 1 . . . . 5 ILE HA . 16050 1 1078 . 3 2 5 5 ILE HB H 1 1.68 0.02 . 1 . . . . 5 ILE HB . 16050 1 1079 . 3 2 5 5 ILE HD11 H 1 0.66 0.02 . 1 . . . . 5 ILE MD . 16050 1 1080 . 3 2 5 5 ILE HD12 H 1 0.66 0.02 . 1 . . . . 5 ILE MD . 16050 1 1081 . 3 2 5 5 ILE HD13 H 1 0.66 0.02 . 1 . . . . 5 ILE MD . 16050 1 1082 . 3 2 5 5 ILE HG12 H 1 1.41 0.02 . 2 . . . . 5 ILE HG12 . 16050 1 1083 . 3 2 5 5 ILE HG13 H 1 1.41 0.02 . 2 . . . . 5 ILE HG13 . 16050 1 1084 . 3 2 5 5 ILE HG21 H 1 0.87 0.02 . 1 . . . . 5 ILE MG . 16050 1 1085 . 3 2 5 5 ILE HG22 H 1 0.87 0.02 . 1 . . . . 5 ILE MG . 16050 1 1086 . 3 2 5 5 ILE HG23 H 1 0.87 0.02 . 1 . . . . 5 ILE MG . 16050 1 1087 . 3 2 6 6 ASP HA H 1 4.33 0.02 . 1 . . . . 6 ASP HA . 16050 1 1088 . 3 2 6 6 ASP HB2 H 1 2.72 0.02 . 2 . . . . 6 ASP HB2 . 16050 1 1089 . 3 2 6 6 ASP HB3 H 1 2.83 0.02 . 2 . . . . 6 ASP HB3 . 16050 1 1090 . 3 2 7 7 TRP HA H 1 4.7 0.02 . 1 . . . . 7 TRP HA . 16050 1 1091 . 3 2 7 7 TRP HB2 H 1 3.24 0.02 . 2 . . . . 7 TRP HB2 . 16050 1 1092 . 3 2 7 7 TRP HB3 H 1 3.24 0.02 . 2 . . . . 7 TRP HB3 . 16050 1 1093 . 3 2 7 7 TRP HD1 H 1 7.38 0.02 . 1 . . . . 7 TRP HD1 . 16050 1 1094 . 3 2 7 7 TRP HH2 H 1 6.84 0.02 . 1 . . . . 7 TRP HH2 . 16050 1 1095 . 3 2 7 7 TRP HE3 H 1 6.91 0.02 . 1 . . . . 7 TRP HE3 . 16050 1 1096 . 3 2 7 7 TRP HZ2 H 1 6.91 0.02 . 1 . . . . 7 TRP HZ2 . 16050 1 1097 . 3 2 8 8 ASN HA H 1 4.18 0.02 . 1 . . . . 8 ASN HA . 16050 1 1098 . 3 2 8 8 ASN HB2 H 1 2.78 0.02 . 2 . . . . 8 ASN HB2 . 16050 1 1099 . 3 2 8 8 ASN HB3 H 1 2.44 0.02 . 2 . . . . 8 ASN HB3 . 16050 1 1100 . 3 2 9 9 LYS HA H 1 4.03 0.02 . 1 . . . . 9 LYS HA . 16050 1 1101 . 3 2 9 9 LYS HB2 H 1 1.82 0.02 . 2 . . . . 9 LYS HB2 . 16050 1 1102 . 3 2 9 9 LYS HB3 H 1 1.78 0.02 . 2 . . . . 9 LYS HB3 . 16050 1 1103 . 3 2 9 9 LYS HD2 H 1 1.64 0.02 . 2 . . . . 9 LYS HD2 . 16050 1 1104 . 3 2 9 9 LYS HD3 H 1 1.64 0.02 . 2 . . . . 9 LYS HD3 . 16050 1 1105 . 3 2 9 9 LYS HE2 H 1 2.97 0.02 . 2 . . . . 9 LYS HE2 . 16050 1 1106 . 3 2 9 9 LYS HE3 H 1 2.97 0.02 . 2 . . . . 9 LYS HE3 . 16050 1 1107 . 3 2 9 9 LYS HG2 H 1 1.32 0.02 . 2 . . . . 9 LYS HG2 . 16050 1 1108 . 3 2 9 9 LYS HG3 H 1 1.4 0.02 . 2 . . . . 9 LYS HG3 . 16050 1 1109 . 3 2 10 10 ILE HA H 1 4.23 0.02 . 1 . . . . 10 ILE HA . 16050 1 1110 . 3 2 10 10 ILE HB H 1 2.05 0.02 . 1 . . . . 10 ILE HB . 16050 1 1111 . 3 2 10 10 ILE HD11 H 1 0.59 0.02 . 1 . . . . 10 ILE MD . 16050 1 1112 . 3 2 10 10 ILE HD12 H 1 0.59 0.02 . 1 . . . . 10 ILE MD . 16050 1 1113 . 3 2 10 10 ILE HD13 H 1 0.59 0.02 . 1 . . . . 10 ILE MD . 16050 1 1114 . 3 2 10 10 ILE HG12 H 1 1.26 0.02 . 2 . . . . 10 ILE HG12 . 16050 1 1115 . 3 2 10 10 ILE HG13 H 1 1.26 0.02 . 2 . . . . 10 ILE HG13 . 16050 1 1116 . 3 2 10 10 ILE HG21 H 1 0.8 0.02 . 1 . . . . 10 ILE MG . 16050 1 1117 . 3 2 10 10 ILE HG22 H 1 0.8 0.02 . 1 . . . . 10 ILE MG . 16050 1 1118 . 3 2 10 10 ILE HG23 H 1 0.8 0.02 . 1 . . . . 10 ILE MG . 16050 1 1119 . 3 2 11 11 LEU HA H 1 4.12 0.02 . 1 . . . . 11 LEU HA . 16050 1 1120 . 3 2 11 11 LEU HB2 H 1 1.67 0.02 . 2 . . . . 11 LEU HB2 . 16050 1 1121 . 3 2 11 11 LEU HB3 H 1 1.67 0.02 . 2 . . . . 11 LEU HB3 . 16050 1 1122 . 3 2 11 11 LEU HD11 H 1 1.15 0.02 . 2 . . . . 11 LEU MD1 . 16050 1 1123 . 3 2 11 11 LEU HD12 H 1 1.15 0.02 . 2 . . . . 11 LEU MD1 . 16050 1 1124 . 3 2 11 11 LEU HD13 H 1 1.15 0.02 . 2 . . . . 11 LEU MD1 . 16050 1 1125 . 3 2 11 11 LEU HD21 H 1 1.05 0.02 . 2 . . . . 11 LEU MD2 . 16050 1 1126 . 3 2 11 11 LEU HD22 H 1 1.05 0.02 . 2 . . . . 11 LEU MD2 . 16050 1 1127 . 3 2 11 11 LEU HD23 H 1 1.05 0.02 . 2 . . . . 11 LEU MD2 . 16050 1 1128 . 3 2 11 11 LEU HG H 1 1.2 0.02 . 1 . . . . 11 LEU HG . 16050 1 1129 . 3 2 12 12 SER HA H 1 4.35 0.02 . 1 . . . . 12 SER HA . 16050 1 1130 . 3 2 12 12 SER HB2 H 1 3.91 0.02 . 2 . . . . 12 SER HB2 . 16050 1 stop_ save_