data_15296 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15296 _Entry.Title ; Chemical assignments of Ca-S100A1 bound to RyRP12 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-08 _Entry.Accession_date 2007-06-08 _Entry.Last_release_date 2008-06-25 _Entry.Original_release_date 2008-06-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Chemical assignments of Ca-S100A1 bound to RyRP12' _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. . 15296 2 Kristen Varney . M. . 15296 3 David Weber . J. . 15296 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15296 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 371 15296 '15N chemical shifts' 89 15296 '1H chemical shifts' 585 15296 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-06-25 2007-06-08 original author . 15296 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1K2H apo-S100A1 15296 PDB 1ZFS Ca-S100A1 15296 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15296 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18089560 _Citation.Full_citation . _Citation.Title ; S100A1 binds to the calmodulin-binding site of ryanodine receptor and modulates skeletal muscle excitation-contraction coupling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 283 _Citation.Journal_issue 8 _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 5046 _Citation.Page_last 5057 _Citation.Year 2008 _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 Benjamin Prosser . L. . 15296 1 2 Nathan Wright . T. . 15296 1 3 Erick Hernandez-Ochoa . M. . 15296 1 4 Kristen Varney . J. . 15296 1 5 Yewei Liu . . . 15296 1 6 Danna Zimmer . B. . 15296 1 7 R Olojo . . . 15296 1 8 David Weber . J. . 15296 1 9 Martin Schneider . F. . 15296 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Ryanodine receptor' 15296 1 S100A1 15296 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15296 _Assembly.ID 1 _Assembly.Name S100A1-RyR _Assembly.BMRB_code . _Assembly.Number_of_components 6 _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 S100A1 1 $S100A1-RyR A . yes native no no . . . 15296 1 2 RyRP12 2 $RyRP12 B . yes native no no . . . 15296 1 3 'CALCIUM ION, 1' 3 $CA C . no native no no . . . 15296 1 4 'CALCIUM ION, 2' 3 $CA D . no native no no . . . 15296 1 5 'CALCIUM ION, 3' 3 $CA E . no native no no . . . 15296 1 6 'CALCIUM ION, 4' 3 $CA F . no native no no . . . 15296 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S100A1-RyR _Entity.Sf_category entity _Entity.Sf_framecode S100A1-RyR _Entity.Entry_ID 15296 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100A1-RyR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSELETAMETLINVFHAHS GKEGDKYKLSKKELKDLLQT ELSSFLDVQKDADAVDKIMK ELDENGDGEVDFQEFVVLVA ALTVACNNFFWENS ; _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16050 . S100A1 . . . . . 98.94 93 100.00 100.00 2.72e-58 . . . . 15296 1 2 no BMRB 4285 . S100A . . . . . 100.00 94 100.00 100.00 2.63e-59 . . . . 15296 1 3 no PDB 1K2H . "Three-Dimensional Solution Structure Of Apo-S100a1." . . . . . 98.94 93 100.00 100.00 2.72e-58 . . . . 15296 1 4 no PDB 1ZFS . "Solution Structure Of S100a1 Bound To Calcium" . . . . . 98.94 93 100.00 100.00 2.72e-58 . . . . 15296 1 5 no PDB 2K2F . "Solution Structure Of Ca2+-S100a1-Ryrp12" . . . . . 98.94 93 100.00 100.00 2.72e-58 . . . . 15296 1 6 no PDB 2KBM . "Ca-S100a1 Interacting With Trtk12" . . . . . 98.94 93 100.00 100.00 2.72e-58 . . . . 15296 1 7 no GB AAB20539 . "S100 alpha, partial [Rattus sp.]" . . . . . 89.36 84 97.62 100.00 9.65e-51 . . . . 15296 1 8 no GB AAB53657 . "S100A1 protein [Rattus norvegicus]" . . . . . 100.00 94 100.00 100.00 2.63e-59 . . . . 15296 1 9 no GB EDM00555 . "rCG62688, isoform CRA_b [Rattus norvegicus]" . . . . . 100.00 94 100.00 100.00 2.63e-59 . . . . 15296 1 10 no REF NP_001007637 . "protein S100-A1 [Rattus norvegicus]" . . . . . 100.00 94 100.00 100.00 2.63e-59 . . . . 15296 1 11 no REF XP_006232665 . "PREDICTED: protein S100-A1 isoform X1 [Rattus norvegicus]" . . . . . 100.00 94 100.00 100.00 2.63e-59 . . . . 15296 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 2.63e-59 . . . . 15296 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 0 MET . 15296 1 2 1 GLY . 15296 1 3 2 SER . 15296 1 4 3 GLU . 15296 1 5 4 LEU . 15296 1 6 5 GLU . 15296 1 7 6 THR . 15296 1 8 7 ALA . 15296 1 9 8 MET . 15296 1 10 9 GLU . 15296 1 11 10 THR . 15296 1 12 11 LEU . 15296 1 13 12 ILE . 15296 1 14 13 ASN . 15296 1 15 14 VAL . 15296 1 16 15 PHE . 15296 1 17 16 HIS . 15296 1 18 17 ALA . 15296 1 19 18 HIS . 15296 1 20 19 SER . 15296 1 21 20 GLY . 15296 1 22 21 LYS . 15296 1 23 22 GLU . 15296 1 24 23 GLY . 15296 1 25 24 ASP . 15296 1 26 25 LYS . 15296 1 27 26 TYR . 15296 1 28 27 LYS . 15296 1 29 28 LEU . 15296 1 30 29 SER . 15296 1 31 30 LYS . 15296 1 32 31 LYS . 15296 1 33 32 GLU . 15296 1 34 33 LEU . 15296 1 35 34 LYS . 15296 1 36 35 ASP . 15296 1 37 36 LEU . 15296 1 38 37 LEU . 15296 1 39 38 GLN . 15296 1 40 39 THR . 15296 1 41 40 GLU . 15296 1 42 41 LEU . 15296 1 43 42 SER . 15296 1 44 43 SER . 15296 1 45 44 PHE . 15296 1 46 45 LEU . 15296 1 47 46 ASP . 15296 1 48 47 VAL . 15296 1 49 48 GLN . 15296 1 50 49 LYS . 15296 1 51 50 ASP . 15296 1 52 51 ALA . 15296 1 53 52 ASP . 15296 1 54 53 ALA . 15296 1 55 54 VAL . 15296 1 56 55 ASP . 15296 1 57 56 LYS . 15296 1 58 57 ILE . 15296 1 59 58 MET . 15296 1 60 59 LYS . 15296 1 61 60 GLU . 15296 1 62 61 LEU . 15296 1 63 62 ASP . 15296 1 64 63 GLU . 15296 1 65 64 ASN . 15296 1 66 65 GLY . 15296 1 67 66 ASP . 15296 1 68 67 GLY . 15296 1 69 68 GLU . 15296 1 70 69 VAL . 15296 1 71 70 ASP . 15296 1 72 71 PHE . 15296 1 73 72 GLN . 15296 1 74 73 GLU . 15296 1 75 74 PHE . 15296 1 76 75 VAL . 15296 1 77 76 VAL . 15296 1 78 77 LEU . 15296 1 79 78 VAL . 15296 1 80 79 ALA . 15296 1 81 80 ALA . 15296 1 82 81 LEU . 15296 1 83 82 THR . 15296 1 84 83 VAL . 15296 1 85 84 ALA . 15296 1 86 85 CYS . 15296 1 87 86 ASN . 15296 1 88 87 ASN . 15296 1 89 88 PHE . 15296 1 90 89 PHE . 15296 1 91 90 TRP . 15296 1 92 91 GLU . 15296 1 93 92 ASN . 15296 1 94 93 SER . 15296 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15296 1 . GLY 2 2 15296 1 . SER 3 3 15296 1 . GLU 4 4 15296 1 . LEU 5 5 15296 1 . GLU 6 6 15296 1 . THR 7 7 15296 1 . ALA 8 8 15296 1 . MET 9 9 15296 1 . GLU 10 10 15296 1 . THR 11 11 15296 1 . LEU 12 12 15296 1 . ILE 13 13 15296 1 . ASN 14 14 15296 1 . VAL 15 15 15296 1 . PHE 16 16 15296 1 . HIS 17 17 15296 1 . ALA 18 18 15296 1 . HIS 19 19 15296 1 . SER 20 20 15296 1 . GLY 21 21 15296 1 . LYS 22 22 15296 1 . GLU 23 23 15296 1 . GLY 24 24 15296 1 . ASP 25 25 15296 1 . LYS 26 26 15296 1 . TYR 27 27 15296 1 . LYS 28 28 15296 1 . LEU 29 29 15296 1 . SER 30 30 15296 1 . LYS 31 31 15296 1 . LYS 32 32 15296 1 . GLU 33 33 15296 1 . LEU 34 34 15296 1 . LYS 35 35 15296 1 . ASP 36 36 15296 1 . LEU 37 37 15296 1 . LEU 38 38 15296 1 . GLN 39 39 15296 1 . THR 40 40 15296 1 . GLU 41 41 15296 1 . LEU 42 42 15296 1 . SER 43 43 15296 1 . SER 44 44 15296 1 . PHE 45 45 15296 1 . LEU 46 46 15296 1 . ASP 47 47 15296 1 . VAL 48 48 15296 1 . GLN 49 49 15296 1 . LYS 50 50 15296 1 . ASP 51 51 15296 1 . ALA 52 52 15296 1 . ASP 53 53 15296 1 . ALA 54 54 15296 1 . VAL 55 55 15296 1 . ASP 56 56 15296 1 . LYS 57 57 15296 1 . ILE 58 58 15296 1 . MET 59 59 15296 1 . LYS 60 60 15296 1 . GLU 61 61 15296 1 . LEU 62 62 15296 1 . ASP 63 63 15296 1 . GLU 64 64 15296 1 . ASN 65 65 15296 1 . GLY 66 66 15296 1 . ASP 67 67 15296 1 . GLY 68 68 15296 1 . GLU 69 69 15296 1 . VAL 70 70 15296 1 . ASP 71 71 15296 1 . PHE 72 72 15296 1 . GLN 73 73 15296 1 . GLU 74 74 15296 1 . PHE 75 75 15296 1 . VAL 76 76 15296 1 . VAL 77 77 15296 1 . LEU 78 78 15296 1 . VAL 79 79 15296 1 . ALA 80 80 15296 1 . ALA 81 81 15296 1 . LEU 82 82 15296 1 . THR 83 83 15296 1 . VAL 84 84 15296 1 . ALA 85 85 15296 1 . CYS 86 86 15296 1 . ASN 87 87 15296 1 . ASN 88 88 15296 1 . PHE 89 89 15296 1 . PHE 90 90 15296 1 . TRP 91 91 15296 1 . GLU 92 92 15296 1 . ASN 93 93 15296 1 . SER 94 94 15296 1 stop_ save_ save_RyRP12 _Entity.Sf_category entity _Entity.Sf_framecode RyRP12 _Entity.Entry_ID 15296 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RyRP12 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code KKAVWHKLLSKQ _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 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . LYS . 15296 2 2 . LYS . 15296 2 3 . ALA . 15296 2 4 . VAL . 15296 2 5 . TRP . 15296 2 6 . HIS . 15296 2 7 . LYS . 15296 2 8 . LEU . 15296 2 9 . LEU . 15296 2 10 . SER . 15296 2 11 . LYS . 15296 2 12 . GLN . 15296 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 . LYS 1 1 15296 2 . LYS 2 2 15296 2 . ALA 3 3 15296 2 . VAL 4 4 15296 2 . TRP 5 5 15296 2 . HIS 6 6 15296 2 . LYS 7 7 15296 2 . LEU 8 8 15296 2 . LEU 9 9 15296 2 . SER 10 10 15296 2 . LYS 11 11 15296 2 . GLN 12 12 15296 2 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 15296 _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _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 . 15296 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 15296 _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 $S100A1-RyR . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 15296 1 2 2 $RyRP12 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15296 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 15296 _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 $S100A1-RyR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET16 . . . . . . 15296 1 2 2 $RyRP12 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15296 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 15296 _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 . _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 . _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 Thu Jun 21 18:50:00 2007 ; _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_CANONICAL CACTVS 2.87 15296 CA [Ca+2] SMILES OpenEye/OEToolkits 1.4.2 15296 CA [Ca+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15296 CA InChI=1/Ca/q+2 INCHI InChi 1 15296 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15296 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 . . . . . . . . . . . . . . . 15296 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15296 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 S100A1 '[U-99% 13C; U-99% 15N]' . . 1 $S100A1-RyR . . . 0.5 1.2 mM . . . . 15296 1 2 RyRP12 'natural abundance' . . 2 $RyRP12 . . . 0.35 3 mM . . . . 15296 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15296 1 4 DTT 'natural abundance' . . . . . . 15 . . mM . . . . 15296 1 5 TRIS 'natural abundance' . . . . . . 15 . . mM . . . . 15296 1 6 'sodium chloride' 'natural abundance' . . . . . . 15 . . mM . . . . 15296 1 7 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15296 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 15296 _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 15296 1 pH 7.2 . pH 15296 1 pressure 1 . atm 15296 1 temperature 310 . K 15296 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15296 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15296 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15296 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 15296 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15296 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15296 _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 DMX . 600 . . . 15296 1 2 spectrometer_2 Bruker Avance . 800 . . . 15296 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 15296 _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 . . . . . . . . . . . . . . . . . . . . . 15296 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15296 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15296 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15296 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15296 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15296 1 7 '3D 15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15296 1 8 '4D 15N, 13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15296 1 9 '4D 14N, 15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15296 1 10 HC(CO)NH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15296 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 15296 _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 carbon' . . . . ppm 0 external direct 1 . . . . . . . . . 15296 1 H 1 water protons . . . . ppm 4.66 internal direct 1 . . . . . . . . . 15296 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 118 external direct 1 . . . . . . . . . 15296 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 15296 _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' . . . 15296 1 2 '3D HNCO' . . . 15296 1 3 '3D C(CO)NH' . . . 15296 1 4 '3D HNCACB' . . . 15296 1 6 '3D CBCA(CO)NH' . . . 15296 1 8 '4D 15N, 13C NOESY' . . . 15296 1 9 '4D 14N, 15N NOESY' . . . 15296 1 10 HC(CO)NH . . . 15296 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY H H 1 8.43 0.02 . 1 . . . . 1 G H . 15296 1 2 . 1 1 2 2 GLY HA2 H 1 3.95 0.02 . 1 . . . . 1 G HA2 . 15296 1 3 . 1 1 2 2 GLY HA3 H 1 4.19 0.02 . 1 . . . . 1 G HA3 . 15296 1 4 . 1 1 2 2 GLY C C 13 173.5 0.05 . 1 . . . . 1 G C . 15296 1 5 . 1 1 2 2 GLY CA C 13 44.64 0.05 . 1 . . . . 1 G CA . 15296 1 6 . 1 1 2 2 GLY N N 15 111.84 0.05 . 1 . . . . 1 G N . 15296 1 7 . 1 1 3 3 SER H H 1 8.75 0.02 . 1 . . . . 2 S H . 15296 1 8 . 1 1 3 3 SER HA H 1 4.73 0.02 . 1 . . . . 2 S HA . 15296 1 9 . 1 1 3 3 SER HB2 H 1 4.26 0.02 . 1 . . . . 2 S HB . 15296 1 10 . 1 1 3 3 SER HB3 H 1 4.26 0.02 . 1 . . . . 2 S HB . 15296 1 11 . 1 1 3 3 SER C C 13 175.22 0.05 . 1 . . . . 2 S C . 15296 1 12 . 1 1 3 3 SER CA C 13 57.06 0.05 . 1 . . . . 2 S CA . 15296 1 13 . 1 1 3 3 SER CB C 13 64.8 0.05 . 1 . . . . 2 S CB . 15296 1 14 . 1 1 3 3 SER N N 15 118.17 0.05 . 1 . . . . 2 S N . 15296 1 15 . 1 1 4 4 GLU H H 1 9.52 0.02 . 1 . . . . 3 E H . 15296 1 16 . 1 1 4 4 GLU HA H 1 4.17 0.02 . 1 . . . . 3 E HA . 15296 1 17 . 1 1 4 4 GLU HB2 H 1 2.17 0.02 . 1 . . . . 3 E HB . 15296 1 18 . 1 1 4 4 GLU HB3 H 1 2.17 0.02 . 1 . . . . 3 E HB . 15296 1 19 . 1 1 4 4 GLU HG2 H 1 2.47 0.02 . 1 . . . . 3 E HG . 15296 1 20 . 1 1 4 4 GLU HG3 H 1 2.47 0.02 . 1 . . . . 3 E HG . 15296 1 21 . 1 1 4 4 GLU C C 13 179.44 0.05 . 1 . . . . 3 E C . 15296 1 22 . 1 1 4 4 GLU CA C 13 60.11 0.05 . 1 . . . . 3 E CA . 15296 1 23 . 1 1 4 4 GLU CB C 13 29.17 0.05 . 1 . . . . 3 E CB . 15296 1 24 . 1 1 4 4 GLU CG C 13 36.78 0.05 . 1 . . . . 3 E CG . 15296 1 25 . 1 1 4 4 GLU N N 15 124.53 0.05 . 1 . . . . 3 E N . 15296 1 26 . 1 1 5 5 LEU H H 1 8.96 0.02 . 1 . . . . 4 L H . 15296 1 27 . 1 1 5 5 LEU HA H 1 4.08 0.02 . 1 . . . . 4 L HA . 15296 1 28 . 1 1 5 5 LEU HB2 H 1 1.89 0.02 . 1 . . . . 4 L HB . 15296 1 29 . 1 1 5 5 LEU HB3 H 1 1.89 0.02 . 1 . . . . 4 L HB . 15296 1 30 . 1 1 5 5 LEU HD11 H 1 0.7 0.02 . 1 . . . . 4 L HD1 . 15296 1 31 . 1 1 5 5 LEU HD12 H 1 0.7 0.02 . 1 . . . . 4 L HD1 . 15296 1 32 . 1 1 5 5 LEU HD13 H 1 0.7 0.02 . 1 . . . . 4 L HD1 . 15296 1 33 . 1 1 5 5 LEU HD21 H 1 0.6 0.02 . 1 . . . . 4 L HD2 . 15296 1 34 . 1 1 5 5 LEU HD22 H 1 0.6 0.02 . 1 . . . . 4 L HD2 . 15296 1 35 . 1 1 5 5 LEU HD23 H 1 0.6 0.02 . 1 . . . . 4 L HD2 . 15296 1 36 . 1 1 5 5 LEU HG H 1 1.67 0.02 . 1 . . . . 4 L HG . 15296 1 37 . 1 1 5 5 LEU C C 13 178.56 0.05 . 1 . . . . 4 L C . 15296 1 38 . 1 1 5 5 LEU CA C 13 57.76 0.05 . 1 . . . . 4 L CA . 15296 1 39 . 1 1 5 5 LEU CB C 13 42.06 0.05 . 1 . . . . 4 L CB . 15296 1 40 . 1 1 5 5 LEU CD1 C 13 24.82 0.05 . 1 . . . . 4 L CD1 . 15296 1 41 . 1 1 5 5 LEU CD2 C 13 22 0.05 . 1 . . . . 4 L CD2 . 15296 1 42 . 1 1 5 5 LEU CG C 13 26.81 0.05 . 1 . . . . 4 L CG . 15296 1 43 . 1 1 5 5 LEU N N 15 120.8 0.05 . 1 . . . . 4 L N . 15296 1 44 . 1 1 6 6 GLU H H 1 8.37 0.02 . 1 . . . . 5 E H . 15296 1 45 . 1 1 6 6 GLU HA H 1 4.11 0.02 . 1 . . . . 5 E HA . 15296 1 46 . 1 1 6 6 GLU HB2 H 1 2.05 0.02 . 1 . . . . 5 E HB . 15296 1 47 . 1 1 6 6 GLU HB3 H 1 2.05 0.02 . 1 . . . . 5 E HB . 15296 1 48 . 1 1 6 6 GLU HG2 H 1 2.43 0.02 . 1 . . . . 5 E HG . 15296 1 49 . 1 1 6 6 GLU HG3 H 1 2.43 0.02 . 1 . . . . 5 E HG . 15296 1 50 . 1 1 6 6 GLU C C 13 177.64 0.05 . 1 . . . . 5 E C . 15296 1 51 . 1 1 6 6 GLU CA C 13 59.87 0.05 . 1 . . . . 5 E CA . 15296 1 52 . 1 1 6 6 GLU CB C 13 29.27 0.05 . 1 . . . . 5 E CB . 15296 1 53 . 1 1 6 6 GLU CG C 13 37.48 0.05 . 1 . . . . 5 E CG . 15296 1 54 . 1 1 6 6 GLU N N 15 120.3 0.05 . 1 . . . . 5 E N . 15296 1 55 . 1 1 7 7 THR H H 1 8.32 0.02 . 1 . . . . 6 T H . 15296 1 56 . 1 1 7 7 THR HA H 1 4.05 0.02 . 1 . . . . 6 T HA . 15296 1 57 . 1 1 7 7 THR HB H 1 4.73 0.02 . 1 . . . . 6 T HB . 15296 1 58 . 1 1 7 7 THR HG21 H 1 1.23 0.02 . 1 . . . . 6 T HG . 15296 1 59 . 1 1 7 7 THR HG22 H 1 1.23 0.02 . 1 . . . . 6 T HG . 15296 1 60 . 1 1 7 7 THR HG23 H 1 1.23 0.02 . 1 . . . . 6 T HG . 15296 1 61 . 1 1 7 7 THR C C 13 176.39 0.05 . 1 . . . . 6 T C . 15296 1 62 . 1 1 7 7 THR CA C 13 66.2 0.05 . 1 . . . . 6 T CA . 15296 1 63 . 1 1 7 7 THR CB C 13 68.18 0.05 . 1 . . . . 6 T CB . 15296 1 64 . 1 1 7 7 THR CG2 C 13 21.42 0.05 . 1 . . . . 6 T CG . 15296 1 65 . 1 1 7 7 THR N N 15 117.23 0.05 . 1 . . . . 6 T N . 15296 1 66 . 1 1 8 8 ALA H H 1 8.22 0.02 . 1 . . . . 7 A H . 15296 1 67 . 1 1 8 8 ALA HA H 1 4.2 0.02 . 1 . . . . 7 A HA . 15296 1 68 . 1 1 8 8 ALA HB1 H 1 1.64 0.02 . 1 . . . . 7 A HB . 15296 1 69 . 1 1 8 8 ALA HB2 H 1 1.64 0.02 . 1 . . . . 7 A HB . 15296 1 70 . 1 1 8 8 ALA HB3 H 1 1.64 0.02 . 1 . . . . 7 A HB . 15296 1 71 . 1 1 8 8 ALA C C 13 178.89 0.05 . 1 . . . . 7 A C . 15296 1 72 . 1 1 8 8 ALA CA C 13 55.42 0.05 . 1 . . . . 7 A CA . 15296 1 73 . 1 1 8 8 ALA CB C 13 17.46 0.05 . 1 . . . . 7 A CB . 15296 1 74 . 1 1 8 8 ALA N N 15 127.05 0.05 . 1 . . . . 7 A N . 15296 1 75 . 1 1 9 9 MET H H 1 8.1 0.02 . 1 . . . . 8 M H . 15296 1 76 . 1 1 9 9 MET HA H 1 4.17 0.02 . 1 . . . . 8 M HA . 15296 1 77 . 1 1 9 9 MET HB2 H 1 2.67 0.02 . 1 . . . . 8 M HB . 15296 1 78 . 1 1 9 9 MET HB3 H 1 2.67 0.02 . 1 . . . . 8 M HB . 15296 1 79 . 1 1 9 9 MET HE1 H 1 1.8 0.02 . 1 . . . . 8 M HE . 15296 1 80 . 1 1 9 9 MET HE2 H 1 1.8 0.02 . 1 . . . . 8 M HE . 15296 1 81 . 1 1 9 9 MET HE3 H 1 1.8 0.02 . 1 . . . . 8 M HE . 15296 1 82 . 1 1 9 9 MET HG2 H 1 2.3 0.02 . 1 . . . . 8 M HG . 15296 1 83 . 1 1 9 9 MET HG3 H 1 2.3 0.02 . 1 . . . . 8 M HG . 15296 1 84 . 1 1 9 9 MET C C 13 177.72 0.05 . 1 . . . . 8 M C . 15296 1 85 . 1 1 9 9 MET CA C 13 60.24 0.05 . 1 . . . . 8 M CA . 15296 1 86 . 1 1 9 9 MET CB C 13 33.63 0.05 . 1 . . . . 8 M CB . 15296 1 87 . 1 1 9 9 MET CE C 13 18.45 0.05 . 1 . . . . 8 M CE . 15296 1 88 . 1 1 9 9 MET CG C 13 30.45 0.05 . 1 . . . . 8 M CG . 15296 1 89 . 1 1 9 9 MET N N 15 117.64 0.05 . 1 . . . . 8 M N . 15296 1 90 . 1 1 10 10 GLU H H 1 8.04 0.02 . 1 . . . . 9 E H . 15296 1 91 . 1 1 10 10 GLU HA H 1 3.89 0.02 . 1 . . . . 9 E HA . 15296 1 92 . 1 1 10 10 GLU HB2 H 1 2.2 0.02 . 1 . . . . 9 E HB . 15296 1 93 . 1 1 10 10 GLU HB3 H 1 2.2 0.02 . 1 . . . . 9 E HB . 15296 1 94 . 1 1 10 10 GLU HG2 H 1 2.4 0.02 . 1 . . . . 9 E HG . 15296 1 95 . 1 1 10 10 GLU HG3 H 1 2.4 0.02 . 1 . . . . 9 E HG . 15296 1 96 . 1 1 10 10 GLU C C 13 178.5 0.05 . 1 . . . . 9 E C . 15296 1 97 . 1 1 10 10 GLU CA C 13 59.4 0.05 . 1 . . . . 9 E CA . 15296 1 98 . 1 1 10 10 GLU CB C 13 28.9 0.05 . 1 . . . . 9 E CB . 15296 1 99 . 1 1 10 10 GLU CG C 13 36.42 0.05 . 1 . . . . 9 E CG . 15296 1 100 . 1 1 10 10 GLU N N 15 118.37 0.05 . 1 . . . . 9 E N . 15296 1 101 . 1 1 11 11 THR H H 1 8.48 0.02 . 1 . . . . 10 T H . 15296 1 102 . 1 1 11 11 THR HA H 1 4.04 0.02 . 1 . . . . 10 T HA . 15296 1 103 . 1 1 11 11 THR HB H 1 4.6 0.02 . 1 . . . . 10 T HB . 15296 1 104 . 1 1 11 11 THR HG21 H 1 1.22 0.02 . 1 . . . . 10 T HG . 15296 1 105 . 1 1 11 11 THR HG22 H 1 1.22 0.02 . 1 . . . . 10 T HG . 15296 1 106 . 1 1 11 11 THR HG23 H 1 1.22 0.02 . 1 . . . . 10 T HG . 15296 1 107 . 1 1 11 11 THR C C 13 175.22 0.05 . 1 . . . . 10 T C . 15296 1 108 . 1 1 11 11 THR CA C 13 66.9 0.05 . 1 . . . . 10 T CA . 15296 1 109 . 1 1 11 11 THR CB C 13 67.84 0.05 . 1 . . . . 10 T CB . 15296 1 110 . 1 1 11 11 THR CG2 C 13 22.01 0.05 . 1 . . . . 10 T CG . 15296 1 111 . 1 1 11 11 THR N N 15 118.67 0.05 . 1 . . . . 10 T N . 15296 1 112 . 1 1 12 12 LEU H H 1 7.85 0.02 . 1 . . . . 11 L H . 15296 1 113 . 1 1 12 12 LEU HA H 1 4.14 0.02 . 1 . . . . 11 L HA . 15296 1 114 . 1 1 12 12 LEU HB2 H 1 2.14 0.02 . 1 . . . . 11 L HB . 15296 1 115 . 1 1 12 12 LEU HB3 H 1 2.14 0.02 . 1 . . . . 11 L HB . 15296 1 116 . 1 1 12 12 LEU HD11 H 1 0.9 0.02 . 1 . . . . 11 L HD . 15296 1 117 . 1 1 12 12 LEU HD12 H 1 0.9 0.02 . 1 . . . . 11 L HD . 15296 1 118 . 1 1 12 12 LEU HD13 H 1 0.9 0.02 . 1 . . . . 11 L HD . 15296 1 119 . 1 1 12 12 LEU HD21 H 1 0.9 0.02 . 1 . . . . 11 L HD . 15296 1 120 . 1 1 12 12 LEU HD22 H 1 0.9 0.02 . 1 . . . . 11 L HD . 15296 1 121 . 1 1 12 12 LEU HD23 H 1 0.9 0.02 . 1 . . . . 11 L HD . 15296 1 122 . 1 1 12 12 LEU HG H 1 1.89 0.02 . 1 . . . . 11 L HG . 15296 1 123 . 1 1 12 12 LEU C C 13 177.95 0.05 . 1 . . . . 11 L C . 15296 1 124 . 1 1 12 12 LEU CA C 13 59.64 0.05 . 1 . . . . 11 L CA . 15296 1 125 . 1 1 12 12 LEU CB C 13 41.59 0.05 . 1 . . . . 11 L CB . 15296 1 126 . 1 1 12 12 LEU CD1 C 13 24.12 0.05 . 1 . . . . 11 L CD . 15296 1 127 . 1 1 12 12 LEU CD2 C 13 24.12 0.05 . 1 . . . . 11 L CD . 15296 1 128 . 1 1 12 12 LEU CG C 13 27.4 0.05 . 1 . . . . 11 L CG . 15296 1 129 . 1 1 12 12 LEU N N 15 121.13 0.05 . 1 . . . . 11 L N . 15296 1 130 . 1 1 13 13 ILE H H 1 7.27 0.02 . 1 . . . . 12 I H . 15296 1 131 . 1 1 13 13 ILE HA H 1 3.58 0.02 . 1 . . . . 12 I HA . 15296 1 132 . 1 1 13 13 ILE HB H 1 1.83 0.02 . 1 . . . . 12 I HB . 15296 1 133 . 1 1 13 13 ILE HD11 H 1 0.58 0.02 . 1 . . . . 12 I HD . 15296 1 134 . 1 1 13 13 ILE HD12 H 1 0.58 0.02 . 1 . . . . 12 I HD . 15296 1 135 . 1 1 13 13 ILE HD13 H 1 0.58 0.02 . 1 . . . . 12 I HD . 15296 1 136 . 1 1 13 13 ILE HG12 H 1 1.85 0.02 . 1 . . . . 12 I HG1 . 15296 1 137 . 1 1 13 13 ILE HG13 H 1 1.85 0.02 . 1 . . . . 12 I HG1 . 15296 1 138 . 1 1 13 13 ILE HG21 H 1 0.6 0.02 . 1 . . . . 12 I HG2 . 15296 1 139 . 1 1 13 13 ILE HG22 H 1 0.6 0.02 . 1 . . . . 12 I HG2 . 15296 1 140 . 1 1 13 13 ILE HG23 H 1 0.6 0.02 . 1 . . . . 12 I HG2 . 15296 1 141 . 1 1 13 13 ILE C C 13 178.73 0.05 . 1 . . . . 12 I C . 15296 1 142 . 1 1 13 13 ILE CA C 13 65.26 0.05 . 1 . . . . 12 I CA . 15296 1 143 . 1 1 13 13 ILE CB C 13 38.78 0.05 . 1 . . . . 12 I CB . 15296 1 144 . 1 1 13 13 ILE CD1 C 13 13.1 0.05 . 1 . . . . 12 I CD . 15296 1 145 . 1 1 13 13 ILE CG1 C 13 29.39 0.05 . 1 . . . . 12 I CG1 . 15296 1 146 . 1 1 13 13 ILE CG2 C 13 16.74 0.05 . 1 . . . . 12 I CG2 . 15296 1 147 . 1 1 13 13 ILE N N 15 117.76 0.05 . 1 . . . . 12 I N . 15296 1 148 . 1 1 14 14 ASN H H 1 8.87 0.02 . 1 . . . . 13 N H . 15296 1 149 . 1 1 14 14 ASN HA H 1 4.51 0.02 . 1 . . . . 13 N HA . 15296 1 150 . 1 1 14 14 ASN HB2 H 1 2.83 0.02 . 2 . . . . 13 N HB2 . 15296 1 151 . 1 1 14 14 ASN HB3 H 1 3.02 0.02 . 2 . . . . 13 N HB3 . 15296 1 152 . 1 1 14 14 ASN C C 13 178.77 0.05 . 1 . . . . 13 N C . 15296 1 153 . 1 1 14 14 ASN CA C 13 56.12 0.05 . 1 . . . . 13 N CA . 15296 1 154 . 1 1 14 14 ASN CB C 13 37.84 0.05 . 1 . . . . 13 N CB . 15296 1 155 . 1 1 14 14 ASN N N 15 121.27 0.05 . 1 . . . . 13 N N . 15296 1 156 . 1 1 15 15 VAL H H 1 9.18 0.02 . 1 . . . . 14 V H . 15296 1 157 . 1 1 15 15 VAL HA H 1 3.86 0.02 . 1 . . . . 14 V HA . 15296 1 158 . 1 1 15 15 VAL HB H 1 2.2 0.02 . 1 . . . . 14 V HB . 15296 1 159 . 1 1 15 15 VAL HG11 H 1 1.11 0.02 . 1 . . . . 14 V HG1 . 15296 1 160 . 1 1 15 15 VAL HG12 H 1 1.11 0.02 . 1 . . . . 14 V HG1 . 15296 1 161 . 1 1 15 15 VAL HG13 H 1 1.11 0.02 . 1 . . . . 14 V HG1 . 15296 1 162 . 1 1 15 15 VAL HG21 H 1 1.25 0.02 . 1 . . . . 14 V HG2 . 15296 1 163 . 1 1 15 15 VAL HG22 H 1 1.25 0.02 . 1 . . . . 14 V HG2 . 15296 1 164 . 1 1 15 15 VAL HG23 H 1 1.25 0.02 . 1 . . . . 14 V HG2 . 15296 1 165 . 1 1 15 15 VAL C C 13 177.17 0.05 . 1 . . . . 14 V C . 15296 1 166 . 1 1 15 15 VAL CA C 13 65.97 0.05 . 1 . . . . 14 V CA . 15296 1 167 . 1 1 15 15 VAL CB C 13 31.41 0.05 . 1 . . . . 14 V CB . 15296 1 168 . 1 1 15 15 VAL CG1 C 13 23.06 0.05 . 1 . . . . 14 V CG1 . 15296 1 169 . 1 1 15 15 VAL CG2 C 13 21.68 0.05 . 1 . . . . 14 V CG2 . 15296 1 170 . 1 1 15 15 VAL N N 15 121.86 0.05 . 1 . . . . 14 V N . 15296 1 171 . 1 1 16 16 PHE H H 1 7.56 0.02 . 1 . . . . 15 F H . 15296 1 172 . 1 1 16 16 PHE HA H 1 3.5 0.02 . 1 . . . . 15 F HA . 15296 1 173 . 1 1 16 16 PHE HB2 H 1 3.2 0.02 . 1 . . . . 15 F HB . 15296 1 174 . 1 1 16 16 PHE HB3 H 1 3.2 0.02 . 1 . . . . 15 F HB . 15296 1 175 . 1 1 16 16 PHE C C 13 177.09 0.05 . 1 . . . . 15 F C . 15296 1 176 . 1 1 16 16 PHE CA C 13 62.45 0.05 . 1 . . . . 15 F CA . 15296 1 177 . 1 1 16 16 PHE CB C 13 38.78 0.05 . 1 . . . . 15 F CB . 15296 1 178 . 1 1 16 16 PHE N N 15 118.6 0.05 . 1 . . . . 15 F N . 15296 1 179 . 1 1 17 17 HIS H H 1 7.84 0.02 . 1 . . . . 16 H H . 15296 1 180 . 1 1 17 17 HIS HA H 1 4.92 0.02 . 1 . . . . 16 H HA . 15296 1 181 . 1 1 17 17 HIS HB2 H 1 2.86 0.02 . 1 . . . . 16 H HB . 15296 1 182 . 1 1 17 17 HIS HB3 H 1 2.86 0.02 . 1 . . . . 16 H HB . 15296 1 183 . 1 1 17 17 HIS C C 13 177.25 0.05 . 1 . . . . 16 H C . 15296 1 184 . 1 1 17 17 HIS CA C 13 58.47 0.05 . 1 . . . . 16 H CA . 15296 1 185 . 1 1 17 17 HIS CB C 13 27.77 0.05 . 1 . . . . 16 H CB . 15296 1 186 . 1 1 17 17 HIS N N 15 115.94 0.05 . 1 . . . . 16 H N . 15296 1 187 . 1 1 18 18 ALA H H 1 8.09 0.02 . 1 . . . . 17 A H . 15296 1 188 . 1 1 18 18 ALA HA H 1 4.05 0.02 . 1 . . . . 17 A HA . 15296 1 189 . 1 1 18 18 ALA HB1 H 1 1.33 0.02 . 1 . . . . 17 A HB . 15296 1 190 . 1 1 18 18 ALA HB2 H 1 1.33 0.02 . 1 . . . . 17 A HB . 15296 1 191 . 1 1 18 18 ALA HB3 H 1 1.33 0.02 . 1 . . . . 17 A HB . 15296 1 192 . 1 1 18 18 ALA C C 13 178.89 0.05 . 1 . . . . 17 A C . 15296 1 193 . 1 1 18 18 ALA CA C 13 54.01 0.05 . 1 . . . . 17 A CA . 15296 1 194 . 1 1 18 18 ALA CB C 13 17.32 0.05 . 1 . . . . 17 A CB . 15296 1 195 . 1 1 18 18 ALA N N 15 124.14 0.05 . 1 . . . . 17 A N . 15296 1 196 . 1 1 19 19 HIS H H 1 7.03 0.02 . 1 . . . . 18 H H . 15296 1 197 . 1 1 19 19 HIS HA H 1 4.33 0.02 . 1 . . . . 18 H HA . 15296 1 198 . 1 1 19 19 HIS HB2 H 1 2.48 0.02 . 2 . . . . 18 H HB2 . 15296 1 199 . 1 1 19 19 HIS HB3 H 1 2.83 0.02 . 2 . . . . 18 H HB3 . 15296 1 200 . 1 1 19 19 HIS C C 13 175.53 0.05 . 1 . . . . 18 H C . 15296 1 201 . 1 1 19 19 HIS CA C 13 57.3 0.05 . 1 . . . . 18 H CA . 15296 1 202 . 1 1 19 19 HIS CB C 13 32.45 0.05 . 1 . . . . 18 H CB . 15296 1 203 . 1 1 19 19 HIS N N 15 115.24 0.05 . 1 . . . . 18 H N . 15296 1 204 . 1 1 20 20 SER H H 1 8.46 0.02 . 1 . . . . 19 S H . 15296 1 205 . 1 1 20 20 SER HA H 1 3.67 0.02 . 1 . . . . 19 S HA . 15296 1 206 . 1 1 20 20 SER HB2 H 1 3.2 0.02 . 1 . . . . 19 S HB . 15296 1 207 . 1 1 20 20 SER HB3 H 1 3.2 0.02 . 1 . . . . 19 S HB . 15296 1 208 . 1 1 20 20 SER C C 13 176.63 0.05 . 1 . . . . 19 S C . 15296 1 209 . 1 1 20 20 SER CA C 13 61.05 0.05 . 1 . . . . 19 S CA . 15296 1 210 . 1 1 20 20 SER CB C 13 61 0.05 . 1 . . . . 19 S CB . 15296 1 211 . 1 1 20 20 SER N N 15 114.86 0.05 . 1 . . . . 19 S N . 15296 1 212 . 1 1 21 21 GLY H H 1 7.68 0.02 . 1 . . . . 20 G H . 15296 1 213 . 1 1 21 21 GLY HA2 H 1 3.73 0.02 . 2 . . . . 20 G HA2 . 15296 1 214 . 1 1 21 21 GLY HA3 H 1 4.08 0.02 . 2 . . . . 20 G HA3 . 15296 1 215 . 1 1 21 21 GLY C C 13 173.27 0.05 . 1 . . . . 20 G C . 15296 1 216 . 1 1 21 21 GLY CA C 13 45.34 0.05 . 1 . . . . 20 G CA . 15296 1 217 . 1 1 21 21 GLY N N 15 112.81 0.05 . 1 . . . . 20 G N . 15296 1 218 . 1 1 22 22 LYS H H 1 7.22 0.02 . 1 . . . . 21 K H . 15296 1 219 . 1 1 22 22 LYS HA H 1 3.92 0.02 . 1 . . . . 21 K HA . 15296 1 220 . 1 1 22 22 LYS HB2 H 1 2.11 0.02 . 1 . . . . 21 K HB . 15296 1 221 . 1 1 22 22 LYS HB3 H 1 2.11 0.02 . 1 . . . . 21 K HB . 15296 1 222 . 1 1 22 22 LYS HD2 H 1 1.82 0.02 . 1 . . . . 21 K HD . 15296 1 223 . 1 1 22 22 LYS HD3 H 1 1.82 0.02 . 1 . . . . 21 K HD . 15296 1 224 . 1 1 22 22 LYS HE2 H 1 2.9 0.05 . 1 . . . . 21 K HE . 15296 1 225 . 1 1 22 22 LYS HE3 H 1 2.9 0.05 . 1 . . . . 21 K HE . 15296 1 226 . 1 1 22 22 LYS HG2 H 1 1.5 0.02 . 1 . . . . 21 K HG . 15296 1 227 . 1 1 22 22 LYS HG3 H 1 1.5 0.02 . 1 . . . . 21 K HG . 15296 1 228 . 1 1 22 22 LYS C C 13 176.94 0.05 . 1 . . . . 21 K C . 15296 1 229 . 1 1 22 22 LYS CA C 13 58.94 0.05 . 1 . . . . 21 K CA . 15296 1 230 . 1 1 22 22 LYS CB C 13 32.22 0.05 . 1 . . . . 21 K CB . 15296 1 231 . 1 1 22 22 LYS CD C 13 29 0.05 . 1 . . . . 21 K CD . 15296 1 232 . 1 1 22 22 LYS CE C 13 41.23 0.05 . 1 . . . . 21 K CE . 15296 1 233 . 1 1 22 22 LYS CG C 13 25.25 0.05 . 1 . . . . 21 K CG . 15296 1 234 . 1 1 22 22 LYS N N 15 122.8 0.05 . 1 . . . . 21 K N . 15296 1 235 . 1 1 23 23 GLU H H 1 9.34 0.02 . 1 . . . . 22 E H . 15296 1 236 . 1 1 23 23 GLU HA H 1 4.67 0.02 . 1 . . . . 22 E HA . 15296 1 237 . 1 1 23 23 GLU HB2 H 1 1.83 0.02 . 1 . . . . 22 E HB . 15296 1 238 . 1 1 23 23 GLU HB3 H 1 1.83 0.02 . 1 . . . . 22 E HB . 15296 1 239 . 1 1 23 23 GLU C C 13 176.63 0.05 . 1 . . . . 22 E C . 15296 1 240 . 1 1 23 23 GLU CA C 13 53.71 0.05 . 1 . . . . 22 E CA . 15296 1 241 . 1 1 23 23 GLU CB C 13 32.69 0.05 . 1 . . . . 22 E CB . 15296 1 242 . 1 1 23 23 GLU N N 15 116.91 0.05 . 1 . . . . 22 E N . 15296 1 243 . 1 1 24 24 GLY H H 1 7.68 0.02 . 1 . . . . 23 G H . 15296 1 244 . 1 1 24 24 GLY HA2 H 1 3.73 0.02 . 2 . . . . 23 G HA2 . 15296 1 245 . 1 1 24 24 GLY HA3 H 1 4.08 0.02 . 2 . . . . 23 G HA3 . 15296 1 246 . 1 1 24 24 GLY C C 13 173.11 0.05 . 1 . . . . 23 G C . 15296 1 247 . 1 1 24 24 GLY CA C 13 45.34 0.05 . 1 . . . . 23 G CA . 15296 1 248 . 1 1 24 24 GLY N N 15 113.1 0.05 . 1 . . . . 23 G N . 15296 1 249 . 1 1 25 25 ASP H H 1 8.67 0.02 . 1 . . . . 24 D H . 15296 1 250 . 1 1 25 25 ASP HA H 1 4.61 0.02 . 1 . . . . 24 D HA . 15296 1 251 . 1 1 25 25 ASP HB2 H 1 2.64 0.02 . 1 . . . . 24 D HB . 15296 1 252 . 1 1 25 25 ASP HB3 H 1 2.64 0.02 . 1 . . . . 24 D HB . 15296 1 253 . 1 1 25 25 ASP C C 13 179.36 0.05 . 1 . . . . 24 D C . 15296 1 254 . 1 1 25 25 ASP CA C 13 54.72 0.05 . 1 . . . . 24 D CA . 15296 1 255 . 1 1 25 25 ASP CB C 13 41.83 0.05 . 1 . . . . 24 D CB . 15296 1 256 . 1 1 25 25 ASP N N 15 126.87 0.05 . 1 . . . . 24 D N . 15296 1 257 . 1 1 26 26 LYS H H 1 9.27 0.02 . 1 . . . . 25 K H . 15296 1 258 . 1 1 26 26 LYS HA H 1 4.35 0.02 . 1 . . . . 25 K HA . 15296 1 259 . 1 1 26 26 LYS HD2 H 1 1.04 0.02 . 1 . . . . 25 K HD . 15296 1 260 . 1 1 26 26 LYS HD3 H 1 1.04 0.02 . 1 . . . . 25 K HD . 15296 1 261 . 1 1 26 26 LYS HE2 H 1 2.9 0.02 . 1 . . . . 25 K HE . 15296 1 262 . 1 1 26 26 LYS HE3 H 1 2.9 0.02 . 1 . . . . 25 K HE . 15296 1 263 . 1 1 26 26 LYS C C 13 176.23 0.05 . 1 . . . . 25 K C . 15296 1 264 . 1 1 26 26 LYS CA C 13 57.76 0.05 . 1 . . . . 25 K CA . 15296 1 265 . 1 1 26 26 LYS CB C 13 30.81 0.02 . 1 . . . . 25 K CB . 15296 1 266 . 1 1 26 26 LYS CD C 13 28.81 0.05 . 1 . . . . 25 K CD . 15296 1 267 . 1 1 26 26 LYS CE C 13 41.46 0.05 . 1 . . . . 25 K CE . 15296 1 268 . 1 1 26 26 LYS CG C 13 24.24 0.05 . 1 . . . . 25 K CG . 15296 1 269 . 1 1 26 26 LYS N N 15 132.11 0.05 . 1 . . . . 25 K N . 15296 1 270 . 1 1 27 27 TYR H H 1 9.44 0.02 . 1 . . . . 26 Y H . 15296 1 271 . 1 1 27 27 TYR HA H 1 4.7 0.02 . 1 . . . . 26 Y HA . 15296 1 272 . 1 1 27 27 TYR HB2 H 1 2.92 0.02 . 2 . . . . 26 Y HB2 . 15296 1 273 . 1 1 27 27 TYR HB3 H 1 3.58 0.02 . 2 . . . . 26 Y HB3 . 15296 1 274 . 1 1 27 27 TYR C C 13 173.5 0.05 . 1 . . . . 26 Y C . 15296 1 275 . 1 1 27 27 TYR CA C 13 55.89 0.05 . 1 . . . . 26 Y CA . 15296 1 276 . 1 1 27 27 TYR CB C 13 37.6 0.05 . 1 . . . . 26 Y CB . 15296 1 277 . 1 1 27 27 TYR N N 15 120.75 0.05 . 1 . . . . 26 Y N . 15296 1 278 . 1 1 28 28 LYS H H 1 7.12 0.02 . 1 . . . . 27 K H . 15296 1 279 . 1 1 28 28 LYS HA H 1 5.14 0.02 . 1 . . . . 27 K HA . 15296 1 280 . 1 1 28 28 LYS HB2 H 1 1.67 0.02 . 1 . . . . 27 K HB . 15296 1 281 . 1 1 28 28 LYS HB3 H 1 1.67 0.02 . 1 . . . . 27 K HB . 15296 1 282 . 1 1 28 28 LYS HD2 H 1 1.44 0.02 . 1 . . . . 27 K HD . 15296 1 283 . 1 1 28 28 LYS HD3 H 1 1.44 0.02 . 1 . . . . 27 K HD . 15296 1 284 . 1 1 28 28 LYS HE2 H 1 3.2 0.02 . 1 . . . . 27 K HE . 15296 1 285 . 1 1 28 28 LYS HE3 H 1 3.2 0.02 . 1 . . . . 27 K HE . 15296 1 286 . 1 1 28 28 LYS HG2 H 1 1.17 0.02 . 1 . . . . 27 K HG . 15296 1 287 . 1 1 28 28 LYS HG3 H 1 1.17 0.02 . 1 . . . . 27 K HG . 15296 1 288 . 1 1 28 28 LYS C C 13 174.52 0.05 . 1 . . . . 27 K C . 15296 1 289 . 1 1 28 28 LYS CA C 13 54.48 0.05 . 1 . . . . 27 K CA . 15296 1 290 . 1 1 28 28 LYS CB C 13 38.28 0.05 . 1 . . . . 27 K CB . 15296 1 291 . 1 1 28 28 LYS CD C 13 29.63 0.05 . 1 . . . . 27 K CD . 15296 1 292 . 1 1 28 28 LYS CE C 13 41.58 0.05 . 1 . . . . 27 K CE . 15296 1 293 . 1 1 28 28 LYS CG C 13 25.41 0.05 . 1 . . . . 27 K CG . 15296 1 294 . 1 1 28 28 LYS N N 15 116.01 0.05 . 1 . . . . 27 K N . 15296 1 295 . 1 1 29 29 LEU H H 1 9.83 0.02 . 1 . . . . 28 L H . 15296 1 296 . 1 1 29 29 LEU HA H 1 5.17 0.02 . 1 . . . . 28 L HA . 15296 1 297 . 1 1 29 29 LEU HB2 H 1 1.98 0.02 . 1 . . . . 28 L HB . 15296 1 298 . 1 1 29 29 LEU HB3 H 1 1.98 0.02 . 1 . . . . 28 L HB . 15296 1 299 . 1 1 29 29 LEU HD11 H 1 0.39 0.02 . 1 . . . . 28 L HD1 . 15296 1 300 . 1 1 29 29 LEU HD12 H 1 0.39 0.02 . 1 . . . . 28 L HD1 . 15296 1 301 . 1 1 29 29 LEU HD13 H 1 0.39 0.02 . 1 . . . . 28 L HD1 . 15296 1 302 . 1 1 29 29 LEU HD21 H 1 0.2 0.02 . 1 . . . . 28 L HD2 . 15296 1 303 . 1 1 29 29 LEU HD22 H 1 0.2 0.02 . 1 . . . . 28 L HD2 . 15296 1 304 . 1 1 29 29 LEU HD23 H 1 0.2 0.02 . 1 . . . . 28 L HD2 . 15296 1 305 . 1 1 29 29 LEU HG H 1 1.2 0.02 . 1 . . . . 28 L HG . 15296 1 306 . 1 1 29 29 LEU C C 13 175.77 0.05 . 1 . . . . 28 L C . 15296 1 307 . 1 1 29 29 LEU CA C 13 52.51 0.05 . 1 . . . . 28 L CA . 15296 1 308 . 1 1 29 29 LEU CB C 13 42.67 0.05 . 1 . . . . 28 L CB . 15296 1 309 . 1 1 29 29 LEU CD1 C 13 24.47 0.05 . 1 . . . . 28 L CD1 . 15296 1 310 . 1 1 29 29 LEU CD2 C 13 23.42 0.05 . 1 . . . . 28 L CD2 . 15296 1 311 . 1 1 29 29 LEU CG C 13 27.28 0.05 . 1 . . . . 28 L CG . 15296 1 312 . 1 1 29 29 LEU N N 15 126.31 0.05 . 1 . . . . 28 L N . 15296 1 313 . 1 1 30 30 SER H H 1 9.89 0.02 . 1 . . . . 29 S H . 15296 1 314 . 1 1 30 30 SER HA H 1 4.55 0.02 . 1 . . . . 29 S HA . 15296 1 315 . 1 1 30 30 SER HB2 H 1 4.4 0.02 . 1 . . . . 29 S HB . 15296 1 316 . 1 1 30 30 SER HB3 H 1 4.4 0.02 . 1 . . . . 29 S HB . 15296 1 317 . 1 1 30 30 SER C C 13 174.12 0.05 . 1 . . . . 29 S C . 15296 1 318 . 1 1 30 30 SER CA C 13 55.89 0.05 . 1 . . . . 29 S CA . 15296 1 319 . 1 1 30 30 SER CB C 13 65.26 0.05 . 1 . . . . 29 S CB . 15296 1 320 . 1 1 30 30 SER N N 15 121.45 0.05 . 1 . . . . 29 S N . 15296 1 321 . 1 1 31 31 LYS H H 1 8.85 0.02 . 1 . . . . 30 K H . 15296 1 322 . 1 1 31 31 LYS HA H 1 3.83 0.02 . 1 . . . . 30 K HA . 15296 1 323 . 1 1 31 31 LYS HB2 H 1 1.8 0.02 . 1 . . . . 30 K HB . 15296 1 324 . 1 1 31 31 LYS HB3 H 1 1.8 0.02 . 1 . . . . 30 K HB . 15296 1 325 . 1 1 31 31 LYS HD2 H 1 1.7 0.02 . 1 . . . . 30 K HD . 15296 1 326 . 1 1 31 31 LYS HD3 H 1 1.7 0.02 . 1 . . . . 30 K HD . 15296 1 327 . 1 1 31 31 LYS HE2 H 1 3 0.02 . 1 . . . . 30 K HE . 15296 1 328 . 1 1 31 31 LYS HE3 H 1 3 0.02 . 1 . . . . 30 K HE . 15296 1 329 . 1 1 31 31 LYS HG2 H 1 1.5 0.02 . 1 . . . . 30 K HG . 15296 1 330 . 1 1 31 31 LYS HG3 H 1 1.5 0.02 . 1 . . . . 30 K HG . 15296 1 331 . 1 1 31 31 LYS C C 13 177.72 0.05 . 1 . . . . 30 K C . 15296 1 332 . 1 1 31 31 LYS CA C 13 61.05 0.05 . 1 . . . . 30 K CA . 15296 1 333 . 1 1 31 31 LYS CB C 13 31.75 0.05 . 1 . . . . 30 K CB . 15296 1 334 . 1 1 31 31 LYS CD C 13 29.04 0.05 . 1 . . . . 30 K CD . 15296 1 335 . 1 1 31 31 LYS CE C 13 41.35 0.05 . 1 . . . . 30 K CE . 15296 1 336 . 1 1 31 31 LYS CG C 13 25.41 0.05 . 1 . . . . 30 K CG . 15296 1 337 . 1 1 31 31 LYS N N 15 120.98 0.05 . 1 . . . . 30 K N . 15296 1 338 . 1 1 32 32 LYS H H 1 7.88 0.02 . 1 . . . . 31 K H . 15296 1 339 . 1 1 32 32 LYS HA H 1 3.88 0.02 . 1 . . . . 31 K HA . 15296 1 340 . 1 1 32 32 LYS HB2 H 1 1.85 0.02 . 1 . . . . 31 K HB . 15296 1 341 . 1 1 32 32 LYS HB3 H 1 1.85 0.02 . 1 . . . . 31 K HB . 15296 1 342 . 1 1 32 32 LYS HD2 H 1 1.7 0.02 . 1 . . . . 31 K HD . 15296 1 343 . 1 1 32 32 LYS HD3 H 1 1.7 0.02 . 1 . . . . 31 K HD . 15296 1 344 . 1 1 32 32 LYS HE2 H 1 3 0.02 . 1 . . . . 31 K HE . 15296 1 345 . 1 1 32 32 LYS HE3 H 1 3 0.02 . 1 . . . . 31 K HE . 15296 1 346 . 1 1 32 32 LYS HG2 H 1 1.5 0.02 . 1 . . . . 31 K HG . 15296 1 347 . 1 1 32 32 LYS HG3 H 1 1.5 0.02 . 1 . . . . 31 K HG . 15296 1 348 . 1 1 32 32 LYS C C 13 178.5 0.05 . 1 . . . . 31 K C . 15296 1 349 . 1 1 32 32 LYS CA C 13 59.16 0.05 . 1 . . . . 31 K CA . 15296 1 350 . 1 1 32 32 LYS CB C 13 32.45 0.05 . 1 . . . . 31 K CB . 15296 1 351 . 1 1 32 32 LYS CD C 13 28.57 0.05 . 1 . . . . 31 K CD . 15296 1 352 . 1 1 32 32 LYS CE C 13 41.7 0.05 . 1 . . . . 31 K CE . 15296 1 353 . 1 1 32 32 LYS CG C 13 24.59 0.05 . 1 . . . . 31 K CG . 15296 1 354 . 1 1 32 32 LYS N N 15 119.37 0.05 . 1 . . . . 31 K N . 15296 1 355 . 1 1 33 33 GLU H H 1 7.52 0.02 . 1 . . . . 32 E H . 15296 1 356 . 1 1 33 33 GLU HA H 1 3.95 0.02 . 1 . . . . 32 E HA . 15296 1 357 . 1 1 33 33 GLU HB2 H 1 2.17 0.02 . 1 . . . . 32 E HB . 15296 1 358 . 1 1 33 33 GLU HB3 H 1 2.17 0.02 . 1 . . . . 32 E HB . 15296 1 359 . 1 1 33 33 GLU HG2 H 1 2.36 0.02 . 1 . . . . 32 E HG . 15296 1 360 . 1 1 33 33 GLU HG3 H 1 2.36 0.02 . 1 . . . . 32 E HG . 15296 1 361 . 1 1 33 33 GLU C C 13 178.5 0.05 . 1 . . . . 32 E C . 15296 1 362 . 1 1 33 33 GLU CA C 13 58.47 0.05 . 1 . . . . 32 E CA . 15296 1 363 . 1 1 33 33 GLU CB C 13 30.34 0.05 . 1 . . . . 32 E CB . 15296 1 364 . 1 1 33 33 GLU CG C 13 36.42 0.05 . 1 . . . . 32 E CG . 15296 1 365 . 1 1 33 33 GLU N N 15 120.16 0.05 . 1 . . . . 32 E N . 15296 1 366 . 1 1 34 34 LEU H H 1 9.04 0.02 . 1 . . . . 33 L H . 15296 1 367 . 1 1 34 34 LEU HA H 1 3.89 0.02 . 1 . . . . 33 L HA . 15296 1 368 . 1 1 34 34 LEU HB2 H 1 2.01 0.02 . 1 . . . . 33 L HB . 15296 1 369 . 1 1 34 34 LEU HB3 H 1 2.01 0.02 . 1 . . . . 33 L HB . 15296 1 370 . 1 1 34 34 LEU HD11 H 1 1 0.02 . 1 . . . . 33 L HD1 . 15296 1 371 . 1 1 34 34 LEU HD12 H 1 1 0.02 . 1 . . . . 33 L HD1 . 15296 1 372 . 1 1 34 34 LEU HD13 H 1 1 0.02 . 1 . . . . 33 L HD1 . 15296 1 373 . 1 1 34 34 LEU HG H 1 2.1 0.02 . 1 . . . . 33 L HG . 15296 1 374 . 1 1 34 34 LEU C C 13 177.41 0.05 . 1 . . . . 33 L C . 15296 1 375 . 1 1 34 34 LEU CA C 13 57.53 0.05 . 1 . . . . 33 L CA . 15296 1 376 . 1 1 34 34 LEU CB C 13 41.03 0.05 . 1 . . . . 33 L CB . 15296 1 377 . 1 1 34 34 LEU CD1 C 13 22.13 0.05 . 1 . . . . 33 L CD1 . 15296 1 378 . 1 1 34 34 LEU CG C 13 26.35 0.05 . 1 . . . . 33 L CG . 15296 1 379 . 1 1 34 34 LEU N N 15 120.13 0.05 . 1 . . . . 33 L N . 15296 1 380 . 1 1 35 35 LYS H H 1 8.24 0.02 . 1 . . . . 34 K H . 15296 1 381 . 1 1 35 35 LYS HA H 1 3.63 0.02 . 1 . . . . 34 K HA . 15296 1 382 . 1 1 35 35 LYS HB2 H 1 2.1 0.02 . 1 . . . . 34 K HB . 15296 1 383 . 1 1 35 35 LYS HB3 H 1 2.1 0.02 . 1 . . . . 34 K HB . 15296 1 384 . 1 1 35 35 LYS HD2 H 1 1.9 0.02 . 1 . . . . 34 K HD . 15296 1 385 . 1 1 35 35 LYS HD3 H 1 1.9 0.02 . 1 . . . . 34 K HD . 15296 1 386 . 1 1 35 35 LYS HE2 H 1 3 0.02 . 1 . . . . 34 K HE . 15296 1 387 . 1 1 35 35 LYS HE3 H 1 3 0.02 . 1 . . . . 34 K HE . 15296 1 388 . 1 1 35 35 LYS HG2 H 1 1.38 0.02 . 1 . . . . 34 K HG . 15296 1 389 . 1 1 35 35 LYS HG3 H 1 1.38 0.02 . 1 . . . . 34 K HG . 15296 1 390 . 1 1 35 35 LYS C C 13 177.25 0.05 . 1 . . . . 34 K C . 15296 1 391 . 1 1 35 35 LYS CA C 13 60.81 0.05 . 1 . . . . 34 K CA . 15296 1 392 . 1 1 35 35 LYS CB C 13 31.52 0.05 . 1 . . . . 34 K CB . 15296 1 393 . 1 1 35 35 LYS CD C 13 29.04 0.05 . 1 . . . . 34 K CD . 15296 1 394 . 1 1 35 35 LYS CE C 13 41.35 0.05 . 1 . . . . 34 K CE . 15296 1 395 . 1 1 35 35 LYS CG C 13 25.41 0.05 . 1 . . . . 34 K CG . 15296 1 396 . 1 1 35 35 LYS N N 15 120.78 0.05 . 1 . . . . 34 K N . 15296 1 397 . 1 1 36 36 ASP H H 1 7.88 0.02 . 1 . . . . 35 D H . 15296 1 398 . 1 1 36 36 ASP HA H 1 4.27 0.02 . 1 . . . . 35 D HA . 15296 1 399 . 1 1 36 36 ASP HB2 H 1 2.63 0.02 . 2 . . . . 35 D HB2 . 15296 1 400 . 1 1 36 36 ASP HB3 H 1 2.91 0.02 . 2 . . . . 35 D HB3 . 15296 1 401 . 1 1 36 36 ASP C C 13 178.34 0.05 . 1 . . . . 35 D C . 15296 1 402 . 1 1 36 36 ASP CA C 13 56.83 0.05 . 1 . . . . 35 D CA . 15296 1 403 . 1 1 36 36 ASP CB C 13 40.19 0.05 . 1 . . . . 35 D CB . 15296 1 404 . 1 1 36 36 ASP N N 15 119.37 0.05 . 1 . . . . 35 D N . 15296 1 405 . 1 1 37 37 LEU H H 1 8.15 0.02 . 1 . . . . 36 L H . 15296 1 406 . 1 1 37 37 LEU HA H 1 2.7 0.02 . 1 . . . . 36 L HA . 15296 1 407 . 1 1 37 37 LEU HB2 H 1 2.73 0.02 . 1 . . . . 36 L HB . 15296 1 408 . 1 1 37 37 LEU HB3 H 1 2.73 0.02 . 1 . . . . 36 L HB . 15296 1 409 . 1 1 37 37 LEU HD11 H 1 0.8 0.02 . 1 . . . . 36 L HD1 . 15296 1 410 . 1 1 37 37 LEU HD12 H 1 0.8 0.02 . 1 . . . . 36 L HD1 . 15296 1 411 . 1 1 37 37 LEU HD13 H 1 0.8 0.02 . 1 . . . . 36 L HD1 . 15296 1 412 . 1 1 37 37 LEU HD21 H 1 0.53 0.02 . 1 . . . . 36 L HD2 . 15296 1 413 . 1 1 37 37 LEU HD22 H 1 0.53 0.02 . 1 . . . . 36 L HD2 . 15296 1 414 . 1 1 37 37 LEU HD23 H 1 0.53 0.02 . 1 . . . . 36 L HD2 . 15296 1 415 . 1 1 37 37 LEU HG H 1 1.33 0.05 . 1 . . . . 36 L HG . 15296 1 416 . 1 1 37 37 LEU C C 13 178.73 0.05 . 1 . . . . 36 L C . 15296 1 417 . 1 1 37 37 LEU CA C 13 59.6 0.05 . 1 . . . . 36 L CA . 15296 1 418 . 1 1 37 37 LEU CB C 13 41.69 0.05 . 1 . . . . 36 L CB . 15296 1 419 . 1 1 37 37 LEU CD1 C 13 24.12 0.05 . 1 . . . . 36 L CD1 . 15296 1 420 . 1 1 37 37 LEU CD2 C 13 27.01 0.05 . 1 . . . . 36 L CD2 . 15296 1 421 . 1 1 37 37 LEU CG C 13 28.2 0.05 . 1 . . . . 36 L CG . 15296 1 422 . 1 1 37 37 LEU N N 15 124.79 0.05 . 1 . . . . 36 L N . 15296 1 423 . 1 1 38 38 LEU H H 1 8.89 0.02 . 1 . . . . 37 L H . 15296 1 424 . 1 1 38 38 LEU HA H 1 3.7 0.02 . 1 . . . . 37 L HA . 15296 1 425 . 1 1 38 38 LEU HB2 H 1 1.97 0.02 . 1 . . . . 37 L HB . 15296 1 426 . 1 1 38 38 LEU HB3 H 1 1.97 0.02 . 1 . . . . 37 L HB . 15296 1 427 . 1 1 38 38 LEU HD11 H 1 0.9 0.02 . 1 . . . . 37 L HD1 . 15296 1 428 . 1 1 38 38 LEU HD12 H 1 0.9 0.02 . 1 . . . . 37 L HD1 . 15296 1 429 . 1 1 38 38 LEU HD13 H 1 0.9 0.02 . 1 . . . . 37 L HD1 . 15296 1 430 . 1 1 38 38 LEU HD21 H 1 0.8 0.02 . 1 . . . . 37 L HD2 . 15296 1 431 . 1 1 38 38 LEU HD22 H 1 0.8 0.02 . 1 . . . . 37 L HD2 . 15296 1 432 . 1 1 38 38 LEU HD23 H 1 0.8 0.02 . 1 . . . . 37 L HD2 . 15296 1 433 . 1 1 38 38 LEU HG H 1 2.05 0.02 . 1 . . . . 37 L HG . 15296 1 434 . 1 1 38 38 LEU C C 13 179.05 0.05 . 1 . . . . 37 L C . 15296 1 435 . 1 1 38 38 LEU CA C 13 57.87 0.05 . 1 . . . . 37 L CA . 15296 1 436 . 1 1 38 38 LEU CB C 13 41.46 0.05 . 1 . . . . 37 L CB . 15296 1 437 . 1 1 38 38 LEU CD1 C 13 22.48 0.05 . 1 . . . . 37 L CD1 . 15296 1 438 . 1 1 38 38 LEU CD2 C 13 24.25 0.05 . 1 . . . . 37 L CD2 . 15296 1 439 . 1 1 38 38 LEU CG C 13 26.23 0.05 . 1 . . . . 37 L CG . 15296 1 440 . 1 1 38 38 LEU N N 15 120.6 0.05 . 1 . . . . 37 L N . 15296 1 441 . 1 1 39 39 GLN H H 1 8.48 0.02 . 1 . . . . 38 Q H . 15296 1 442 . 1 1 39 39 GLN HA H 1 4.01 0.02 . 1 . . . . 38 Q HA . 15296 1 443 . 1 1 39 39 GLN HB2 H 1 2.08 0.02 . 1 . . . . 38 Q HB . 15296 1 444 . 1 1 39 39 GLN HB3 H 1 2.08 0.02 . 1 . . . . 38 Q HB . 15296 1 445 . 1 1 39 39 GLN HG2 H 1 2.45 0.02 . 1 . . . . 38 Q HG . 15296 1 446 . 1 1 39 39 GLN HG3 H 1 2.45 0.02 . 1 . . . . 38 Q HG . 15296 1 447 . 1 1 39 39 GLN C C 13 177.09 0.05 . 1 . . . . 38 Q C . 15296 1 448 . 1 1 39 39 GLN CA C 13 58.24 0.05 . 1 . . . . 38 Q CA . 15296 1 449 . 1 1 39 39 GLN CB C 13 28.44 0.05 . 1 . . . . 38 Q CB . 15296 1 450 . 1 1 39 39 GLN CG C 13 33.96 0.05 . 1 . . . . 38 Q CG . 15296 1 451 . 1 1 39 39 GLN N N 15 117.26 0.05 . 1 . . . . 38 Q N . 15296 1 452 . 1 1 40 40 THR H H 1 7.94 0.02 . 1 . . . . 39 T H . 15296 1 453 . 1 1 40 40 THR HA H 1 4.23 0.02 . 1 . . . . 39 T HA . 15296 1 454 . 1 1 40 40 THR HB H 1 4.66 0.02 . 1 . . . . 39 T HB . 15296 1 455 . 1 1 40 40 THR HG21 H 1 1.39 0.02 . 1 . . . . 39 T HG . 15296 1 456 . 1 1 40 40 THR HG22 H 1 1.39 0.02 . 1 . . . . 39 T HG . 15296 1 457 . 1 1 40 40 THR HG23 H 1 1.39 0.02 . 1 . . . . 39 T HG . 15296 1 458 . 1 1 40 40 THR C C 13 176.55 0.05 . 1 . . . . 39 T C . 15296 1 459 . 1 1 40 40 THR CA C 13 64.56 0.05 . 1 . . . . 39 T CA . 15296 1 460 . 1 1 40 40 THR CB C 13 69.82 0.05 . 1 . . . . 39 T CB . 15296 1 461 . 1 1 40 40 THR CG2 C 13 21.54 0.05 . 1 . . . . 39 T CG . 15296 1 462 . 1 1 40 40 THR N N 15 111.6 0.05 . 1 . . . . 39 T N . 15296 1 463 . 1 1 41 41 GLU H H 1 8.6 0.02 . 1 . . . . 40 E H . 15296 1 464 . 1 1 41 41 GLU HA H 1 4.89 0.02 . 1 . . . . 40 E HA . 15296 1 465 . 1 1 41 41 GLU HB2 H 1 1.76 0.02 . 1 . . . . 40 E HB . 15296 1 466 . 1 1 41 41 GLU HB3 H 1 1.76 0.02 . 1 . . . . 40 E HB . 15296 1 467 . 1 1 41 41 GLU HG2 H 1 2.45 0.02 . 1 . . . . 40 E HG . 15296 1 468 . 1 1 41 41 GLU HG3 H 1 2.45 0.02 . 1 . . . . 40 E HG . 15296 1 469 . 1 1 41 41 GLU C C 13 178.5 0.05 . 1 . . . . 40 E C . 15296 1 470 . 1 1 41 41 GLU CA C 13 56.36 0.05 . 1 . . . . 40 E CA . 15296 1 471 . 1 1 41 41 GLU CB C 13 31.51 0.05 . 1 . . . . 40 E CB . 15296 1 472 . 1 1 41 41 GLU CG C 13 34.43 0.05 . 1 . . . . 40 E CG . 15296 1 473 . 1 1 41 41 GLU N N 15 117.55 0.05 . 1 . . . . 40 E N . 15296 1 474 . 1 1 42 42 LEU H H 1 7.61 0.02 . 1 . . . . 41 L H . 15296 1 475 . 1 1 42 42 LEU HA H 1 5.33 0.02 . 1 . . . . 41 L HA . 15296 1 476 . 1 1 42 42 LEU HB2 H 1 2.05 0.02 . 1 . . . . 41 L HB . 15296 1 477 . 1 1 42 42 LEU HB3 H 1 2.05 0.02 . 1 . . . . 41 L HB . 15296 1 478 . 1 1 42 42 LEU HD11 H 1 1 0.02 . 1 . . . . 41 L HD1 . 15296 1 479 . 1 1 42 42 LEU HD12 H 1 1 0.02 . 1 . . . . 41 L HD1 . 15296 1 480 . 1 1 42 42 LEU HD13 H 1 1 0.02 . 1 . . . . 41 L HD1 . 15296 1 481 . 1 1 42 42 LEU HD21 H 1 0.85 0.05 . 1 . . . . 41 L HD2 . 15296 1 482 . 1 1 42 42 LEU HD22 H 1 0.85 0.05 . 1 . . . . 41 L HD2 . 15296 1 483 . 1 1 42 42 LEU HD23 H 1 0.85 0.05 . 1 . . . . 41 L HD2 . 15296 1 484 . 1 1 42 42 LEU HG H 1 1.7 0.02 . 1 . . . . 41 L HG . 15296 1 485 . 1 1 42 42 LEU C C 13 177.25 0.05 . 1 . . . . 41 L C . 15296 1 486 . 1 1 42 42 LEU CA C 13 53.31 0.05 . 1 . . . . 41 L CA . 15296 1 487 . 1 1 42 42 LEU CB C 13 42.77 0.05 . 1 . . . . 41 L CB . 15296 1 488 . 1 1 42 42 LEU CD1 C 13 23.65 0.05 . 1 . . . . 41 L CD1 . 15296 1 489 . 1 1 42 42 LEU CD2 C 13 25.5 0.05 . 1 . . . . 41 L CD2 . 15296 1 490 . 1 1 42 42 LEU CG C 13 25.41 0.05 . 1 . . . . 41 L CG . 15296 1 491 . 1 1 42 42 LEU N N 15 120.34 0.05 . 1 . . . . 41 L N . 15296 1 492 . 1 1 43 43 SER H H 1 8.04 0.02 . 1 . . . . 42 S H . 15296 1 493 . 1 1 43 43 SER HA H 1 4.44 0.02 . 1 . . . . 42 S HA . 15296 1 494 . 1 1 43 43 SER HB2 H 1 4.2 0.02 . 1 . . . . 42 S HB . 15296 1 495 . 1 1 43 43 SER HB3 H 1 4.2 0.02 . 1 . . . . 42 S HB . 15296 1 496 . 1 1 43 43 SER C C 13 175.92 0.05 . 1 . . . . 42 S C . 15296 1 497 . 1 1 43 43 SER CA C 13 61.05 0.05 . 1 . . . . 42 S CA . 15296 1 498 . 1 1 43 43 SER CB C 13 62.92 0.05 . 1 . . . . 42 S CB . 15296 1 499 . 1 1 43 43 SER N N 15 117.43 0.05 . 1 . . . . 42 S N . 15296 1 500 . 1 1 44 44 SER H H 1 9.11 0.02 . 1 . . . . 43 S H . 15296 1 501 . 1 1 44 44 SER HA H 1 4.26 0.02 . 1 . . . . 43 S HA . 15296 1 502 . 1 1 44 44 SER HB2 H 1 3.41 0.02 . 1 . . . . 43 S HB . 15296 1 503 . 1 1 44 44 SER HB3 H 1 3.41 0.02 . 1 . . . . 43 S HB . 15296 1 504 . 1 1 44 44 SER C C 13 174 0.05 . 1 . . . . 43 S C . 15296 1 505 . 1 1 44 44 SER CA C 13 59.69 0.05 . 1 . . . . 43 S CA . 15296 1 506 . 1 1 44 44 SER CB C 13 62.12 0.05 . 1 . . . . 43 S CB . 15296 1 507 . 1 1 44 44 SER N N 15 117.99 0.05 . 1 . . . . 43 S N . 15296 1 508 . 1 1 45 45 PHE H H 1 7.81 0.02 . 1 . . . . 44 F H . 15296 1 509 . 1 1 45 45 PHE HA H 1 4.51 0.02 . 1 . . . . 44 F HA . 15296 1 510 . 1 1 45 45 PHE HB2 H 1 2.83 0.02 . 2 . . . . 44 F HB2 . 15296 1 511 . 1 1 45 45 PHE HB3 H 1 3.14 0.02 . 2 . . . . 44 F HB3 . 15296 1 512 . 1 1 45 45 PHE C C 13 174.12 0.05 . 1 . . . . 44 F C . 15296 1 513 . 1 1 45 45 PHE CA C 13 58.47 0.05 . 1 . . . . 44 F CA . 15296 1 514 . 1 1 45 45 PHE CB C 13 41.13 0.05 . 1 . . . . 44 F CB . 15296 1 515 . 1 1 45 45 PHE N N 15 118.26 0.05 . 1 . . . . 44 F N . 15296 1 516 . 1 1 46 46 LEU H H 1 7.59 0.02 . 1 . . . . 45 L H . 15296 1 517 . 1 1 46 46 LEU HA H 1 4.6 0.02 . 1 . . . . 45 L HA . 15296 1 518 . 1 1 46 46 LEU HB2 H 1 2.6 0.02 . 1 . . . . 45 L HB . 15296 1 519 . 1 1 46 46 LEU HB3 H 1 2.6 0.02 . 1 . . . . 45 L HB . 15296 1 520 . 1 1 46 46 LEU HD11 H 1 0.8 0.02 . 1 . . . . 45 L HD1 . 15296 1 521 . 1 1 46 46 LEU HD12 H 1 0.8 0.02 . 1 . . . . 45 L HD1 . 15296 1 522 . 1 1 46 46 LEU HD13 H 1 0.8 0.02 . 1 . . . . 45 L HD1 . 15296 1 523 . 1 1 46 46 LEU HG H 1 0.9 0.02 . 1 . . . . 45 L HG . 15296 1 524 . 1 1 46 46 LEU C C 13 174.5 0.05 . 1 . . . . 45 L C . 15296 1 525 . 1 1 46 46 LEU CA C 13 54.25 0.05 . 1 . . . . 45 L CA . 15296 1 526 . 1 1 46 46 LEU CB C 13 43.7 0.05 . 1 . . . . 45 L CB . 15296 1 527 . 1 1 46 46 LEU CD1 C 13 25.76 0.05 . 1 . . . . 45 L CD1 . 15296 1 528 . 1 1 46 46 LEU CD2 C 13 24.12 0.05 . 1 . . . . 45 L CD2 . 15296 1 529 . 1 1 46 46 LEU CG C 13 26.23 0.05 . 1 . . . . 45 L CG . 15296 1 530 . 1 1 46 46 LEU N N 15 118.3 0.05 . 1 . . . . 45 L N . 15296 1 531 . 1 1 47 47 ASP H H 1 8.53 0.02 . 1 . . . . 46 D H . 15296 1 532 . 1 1 47 47 ASP HA H 1 4.83 0.02 . 1 . . . . 46 D HA . 15296 1 533 . 1 1 47 47 ASP HB2 H 1 2.51 0.02 . 2 . . . . 46 D HB2 . 15296 1 534 . 1 1 47 47 ASP HB3 H 1 2.76 0.02 . 2 . . . . 46 D HB3 . 15296 1 535 . 1 1 47 47 ASP C C 13 176.7 0.05 . 1 . . . . 46 D C . 15296 1 536 . 1 1 47 47 ASP CA C 13 52.61 0.05 . 1 . . . . 46 D CA . 15296 1 537 . 1 1 47 47 ASP CB C 13 41.36 0.02 . 1 . . . . 46 D CB . 15296 1 538 . 1 1 47 47 ASP N N 15 122.39 0.05 . 1 . . . . 46 D N . 15296 1 539 . 1 1 48 48 VAL H H 1 8.31 0.02 . 1 . . . . 47 V H . 15296 1 540 . 1 1 48 48 VAL HA H 1 4.1 0.02 . 1 . . . . 47 V HA . 15296 1 541 . 1 1 48 48 VAL HB H 1 2.3 0.02 . 1 . . . . 47 V HB . 15296 1 542 . 1 1 48 48 VAL HG11 H 1 0.8 0.02 . 1 . . . . 47 V HG1 . 15296 1 543 . 1 1 48 48 VAL HG12 H 1 0.8 0.02 . 1 . . . . 47 V HG1 . 15296 1 544 . 1 1 48 48 VAL HG13 H 1 0.8 0.02 . 1 . . . . 47 V HG1 . 15296 1 545 . 1 1 48 48 VAL HG21 H 1 0.9 0.02 . 1 . . . . 47 V HG2 . 15296 1 546 . 1 1 48 48 VAL HG22 H 1 0.9 0.02 . 1 . . . . 47 V HG2 . 15296 1 547 . 1 1 48 48 VAL HG23 H 1 0.9 0.02 . 1 . . . . 47 V HG2 . 15296 1 548 . 1 1 48 48 VAL C C 13 175.5 0.05 . 1 . . . . 47 V C . 15296 1 549 . 1 1 48 48 VAL CA C 13 61.98 0.05 . 1 . . . . 47 V CA . 15296 1 550 . 1 1 48 48 VAL CB C 13 31.05 0.05 . 1 . . . . 47 V CB . 15296 1 551 . 1 1 48 48 VAL CG1 C 13 21.31 0.05 . 1 . . . . 47 V CG1 . 15296 1 552 . 1 1 48 48 VAL CG2 C 13 19.2 0.05 . 1 . . . . 47 V CG2 . 15296 1 553 . 1 1 48 48 VAL N N 15 119.05 0.05 . 1 . . . . 47 V N . 15296 1 554 . 1 1 49 49 GLN H H 1 8.27 0.02 . 1 . . . . 48 Q H . 15296 1 555 . 1 1 49 49 GLN HA H 1 4.23 0.02 . 1 . . . . 48 Q HA . 15296 1 556 . 1 1 49 49 GLN HB2 H 1 2.05 0.02 . 1 . . . . 48 Q HB . 15296 1 557 . 1 1 49 49 GLN HB3 H 1 2.05 0.02 . 1 . . . . 48 Q HB . 15296 1 558 . 1 1 49 49 GLN HG2 H 1 2.3 0.02 . 1 . . . . 48 Q HG . 15296 1 559 . 1 1 49 49 GLN HG3 H 1 2.3 0.02 . 1 . . . . 48 Q HG . 15296 1 560 . 1 1 49 49 GLN C C 13 176.47 0.05 . 1 . . . . 48 Q C . 15296 1 561 . 1 1 49 49 GLN CA C 13 56.59 0.05 . 1 . . . . 48 Q CA . 15296 1 562 . 1 1 49 49 GLN CB C 13 28.94 0.05 . 1 . . . . 48 Q CB . 15296 1 563 . 1 1 49 49 GLN CG C 13 33.61 0.05 . 1 . . . . 48 Q CG . 15296 1 564 . 1 1 49 49 GLN N N 15 119.87 0.05 . 1 . . . . 48 Q N . 15296 1 565 . 1 1 50 50 LYS H H 1 7.89 0.02 . 1 . . . . 49 K H . 15296 1 566 . 1 1 50 50 LYS HA H 1 4.1 0.02 . 1 . . . . 49 K HA . 15296 1 567 . 1 1 50 50 LYS HB2 H 1 1.8 0.02 . 1 . . . . 49 K HB . 15296 1 568 . 1 1 50 50 LYS HB3 H 1 1.8 0.02 . 1 . . . . 49 K HB . 15296 1 569 . 1 1 50 50 LYS HD2 H 1 1.7 0.02 . 1 . . . . 49 K HD . 15296 1 570 . 1 1 50 50 LYS HD3 H 1 1.7 0.02 . 1 . . . . 49 K HD . 15296 1 571 . 1 1 50 50 LYS HE2 H 1 3 0.02 . 1 . . . . 49 K HE . 15296 1 572 . 1 1 50 50 LYS HE3 H 1 3 0.02 . 1 . . . . 49 K HE . 15296 1 573 . 1 1 50 50 LYS HG2 H 1 1.5 0.02 . 1 . . . . 49 K HG . 15296 1 574 . 1 1 50 50 LYS HG3 H 1 1.5 0.02 . 1 . . . . 49 K HG . 15296 1 575 . 1 1 50 50 LYS C C 13 176 0.05 . 1 . . . . 49 K C . 15296 1 576 . 1 1 50 50 LYS CA C 13 57.41 0.05 . 1 . . . . 49 K CA . 15296 1 577 . 1 1 50 50 LYS CB C 13 32.45 0.05 . 1 . . . . 49 K CB . 15296 1 578 . 1 1 50 50 LYS CD C 13 28.69 0.05 . 1 . . . . 49 K CD . 15296 1 579 . 1 1 50 50 LYS CE C 13 41.58 0.05 . 1 . . . . 49 K CE . 15296 1 580 . 1 1 50 50 LYS CG C 13 24.47 0.05 . 1 . . . . 49 K CG . 15296 1 581 . 1 1 50 50 LYS N N 15 120.31 0.05 . 1 . . . . 49 K N . 15296 1 582 . 1 1 51 51 ASP H H 1 7.64 0.02 . 1 . . . . 50 D H . 15296 1 583 . 1 1 51 51 ASP HA H 1 4.81 0.02 . 1 . . . . 50 D HA . 15296 1 584 . 1 1 51 51 ASP HB2 H 1 2.53 0.02 . 2 . . . . 50 D HB2 . 15296 1 585 . 1 1 51 51 ASP HB3 H 1 2.75 0.02 . 2 . . . . 50 D HB3 . 15296 1 586 . 1 1 51 51 ASP CA C 13 52.41 0.05 . 1 . . . . 50 D CA . 15296 1 587 . 1 1 51 51 ASP CB C 13 42.13 0.05 . 1 . . . . 50 D CB . 15296 1 588 . 1 1 51 51 ASP N N 15 119.13 0.05 . 1 . . . . 50 D N . 15296 1 589 . 1 1 52 52 ALA HA H 1 4.7 0.02 . 1 . . . . 51 A HA . 15296 1 590 . 1 1 52 52 ALA HB1 H 1 1.7 0.02 . 1 . . . . 51 A HB . 15296 1 591 . 1 1 52 52 ALA HB2 H 1 1.7 0.02 . 1 . . . . 51 A HB . 15296 1 592 . 1 1 52 52 ALA HB3 H 1 1.7 0.02 . 1 . . . . 51 A HB . 15296 1 593 . 1 1 52 52 ALA C C 13 178.81 0.05 . 1 . . . . 51 A C . 15296 1 594 . 1 1 52 52 ALA CA C 13 54.2 0.05 . 1 . . . . 51 A CA . 15296 1 595 . 1 1 52 52 ALA CB C 13 18.39 0.05 . 1 . . . . 51 A CB . 15296 1 596 . 1 1 53 53 ASP H H 1 8.37 0.02 . 1 . . . . 52 D H . 15296 1 597 . 1 1 53 53 ASP HA H 1 4.13 0.02 . 1 . . . . 52 D HA . 15296 1 598 . 1 1 53 53 ASP HB2 H 1 2.72 0.02 . 1 . . . . 52 D HB . 15296 1 599 . 1 1 53 53 ASP HB3 H 1 2.72 0.02 . 1 . . . . 52 D HB . 15296 1 600 . 1 1 53 53 ASP C C 13 176.7 0.05 . 1 . . . . 52 D C . 15296 1 601 . 1 1 53 53 ASP CA C 13 54.25 0.05 . 1 . . . . 52 D CA . 15296 1 602 . 1 1 53 53 ASP CB C 13 40.42 0.05 . 1 . . . . 52 D CB . 15296 1 603 . 1 1 53 53 ASP N N 15 117.32 0.05 . 1 . . . . 52 D N . 15296 1 604 . 1 1 54 54 ALA H H 1 7.69 0.02 . 1 . . . . 53 A H . 15296 1 605 . 1 1 54 54 ALA HA H 1 4.14 0.02 . 1 . . . . 53 A HA . 15296 1 606 . 1 1 54 54 ALA HB1 H 1 1.48 0.02 . 1 . . . . 53 A HB . 15296 1 607 . 1 1 54 54 ALA HB2 H 1 1.48 0.02 . 1 . . . . 53 A HB . 15296 1 608 . 1 1 54 54 ALA HB3 H 1 1.48 0.02 . 1 . . . . 53 A HB . 15296 1 609 . 1 1 54 54 ALA C C 13 179.44 0.05 . 1 . . . . 53 A C . 15296 1 610 . 1 1 54 54 ALA CA C 13 55.29 0.05 . 1 . . . . 53 A CA . 15296 1 611 . 1 1 54 54 ALA CB C 13 18.86 0.05 . 1 . . . . 53 A CB . 15296 1 612 . 1 1 54 54 ALA N N 15 123.09 0.05 . 1 . . . . 53 A N . 15296 1 613 . 1 1 55 55 VAL H H 1 8.04 0.02 . 1 . . . . 54 V H . 15296 1 614 . 1 1 55 55 VAL HA H 1 3.42 0.02 . 1 . . . . 54 V HA . 15296 1 615 . 1 1 55 55 VAL HB H 1 2.11 0.02 . 1 . . . . 54 V HB . 15296 1 616 . 1 1 55 55 VAL HG11 H 1 1.7 0.02 . 1 . . . . 54 V HG1 . 15296 1 617 . 1 1 55 55 VAL HG12 H 1 1.7 0.02 . 1 . . . . 54 V HG1 . 15296 1 618 . 1 1 55 55 VAL HG13 H 1 1.7 0.02 . 1 . . . . 54 V HG1 . 15296 1 619 . 1 1 55 55 VAL HG21 H 1 0.92 0.02 . 1 . . . . 54 V HG2 . 15296 1 620 . 1 1 55 55 VAL HG22 H 1 0.92 0.02 . 1 . . . . 54 V HG2 . 15296 1 621 . 1 1 55 55 VAL HG23 H 1 0.92 0.02 . 1 . . . . 54 V HG2 . 15296 1 622 . 1 1 55 55 VAL C C 13 176.39 0.05 . 1 . . . . 54 V C . 15296 1 623 . 1 1 55 55 VAL CA C 13 66.44 0.05 . 1 . . . . 54 V CA . 15296 1 624 . 1 1 55 55 VAL CB C 13 30.58 0.05 . 1 . . . . 54 V CB . 15296 1 625 . 1 1 55 55 VAL CG1 C 13 22.6 0.05 . 1 . . . . 54 V CG1 . 15296 1 626 . 1 1 55 55 VAL CG2 C 13 21.19 0.05 . 1 . . . . 54 V CG2 . 15296 1 627 . 1 1 55 55 VAL N N 15 116.64 0.05 . 1 . . . . 54 V N . 15296 1 628 . 1 1 56 56 ASP H H 1 7.7 0.02 . 1 . . . . 55 D H . 15296 1 629 . 1 1 56 56 ASP HA H 1 4.17 0.02 . 1 . . . . 55 D HA . 15296 1 630 . 1 1 56 56 ASP HB2 H 1 2.67 0.02 . 1 . . . . 55 D HB . 15296 1 631 . 1 1 56 56 ASP HB3 H 1 2.67 0.02 . 1 . . . . 55 D HB . 15296 1 632 . 1 1 56 56 ASP C C 13 178.58 0.05 . 1 . . . . 55 D C . 15296 1 633 . 1 1 56 56 ASP CA C 13 57.53 0.05 . 1 . . . . 55 D CA . 15296 1 634 . 1 1 56 56 ASP CB C 13 40.19 0.05 . 1 . . . . 55 D CB . 15296 1 635 . 1 1 56 56 ASP N N 15 120.95 0.05 . 1 . . . . 55 D N . 15296 1 636 . 1 1 57 57 LYS H H 1 7.8 0.02 . 1 . . . . 56 K H . 15296 1 637 . 1 1 57 57 LYS HA H 1 4 0.02 . 1 . . . . 56 K HA . 15296 1 638 . 1 1 57 57 LYS HB2 H 1 1.8 0.02 . 1 . . . . 56 K HB . 15296 1 639 . 1 1 57 57 LYS HB3 H 1 1.8 0.02 . 1 . . . . 56 K HB . 15296 1 640 . 1 1 57 57 LYS HD2 H 1 1.9 0.02 . 1 . . . . 56 K HD . 15296 1 641 . 1 1 57 57 LYS HD3 H 1 1.9 0.02 . 1 . . . . 56 K HD . 15296 1 642 . 1 1 57 57 LYS HE2 H 1 3 0.02 . 1 . . . . 56 K HE . 15296 1 643 . 1 1 57 57 LYS HE3 H 1 3 0.02 . 1 . . . . 56 K HE . 15296 1 644 . 1 1 57 57 LYS HG2 H 1 1.5 0.02 . 1 . . . . 56 K HG . 15296 1 645 . 1 1 57 57 LYS HG3 H 1 1.5 0.02 . 1 . . . . 56 K HG . 15296 1 646 . 1 1 57 57 LYS C C 13 178.73 0.05 . 1 . . . . 56 K C . 15296 1 647 . 1 1 57 57 LYS CA C 13 59.4 0.05 . 1 . . . . 56 K CA . 15296 1 648 . 1 1 57 57 LYS CB C 13 32.32 0.05 . 1 . . . . 56 K CB . 15296 1 649 . 1 1 57 57 LYS CD C 13 29.02 0.05 . 1 . . . . 56 K CD . 15296 1 650 . 1 1 57 57 LYS CE C 13 41.58 0.05 . 1 . . . . 56 K CE . 15296 1 651 . 1 1 57 57 LYS CG C 13 25.06 0.05 . 1 . . . . 56 K CG . 15296 1 652 . 1 1 57 57 LYS N N 15 120.66 0.05 . 1 . . . . 56 K N . 15296 1 653 . 1 1 58 58 ILE H H 1 8.15 0.02 . 1 . . . . 57 I H . 15296 1 654 . 1 1 58 58 ILE HA H 1 3.72 0.02 . 1 . . . . 57 I HA . 15296 1 655 . 1 1 58 58 ILE HB H 1 1.8 0.02 . 1 . . . . 57 I HB . 15296 1 656 . 1 1 58 58 ILE HD11 H 1 0.8 0.02 . 1 . . . . 57 I HD . 15296 1 657 . 1 1 58 58 ILE HD12 H 1 0.8 0.02 . 1 . . . . 57 I HD . 15296 1 658 . 1 1 58 58 ILE HD13 H 1 0.8 0.02 . 1 . . . . 57 I HD . 15296 1 659 . 1 1 58 58 ILE HG12 H 1 1.75 0.02 . 1 . . . . 57 I HG1 . 15296 1 660 . 1 1 58 58 ILE HG13 H 1 1.75 0.02 . 1 . . . . 57 I HG1 . 15296 1 661 . 1 1 58 58 ILE HG21 H 1 1.1 0.02 . 1 . . . . 57 I HG2 . 15296 1 662 . 1 1 58 58 ILE HG22 H 1 1.1 0.02 . 1 . . . . 57 I HG2 . 15296 1 663 . 1 1 58 58 ILE HG23 H 1 1.1 0.02 . 1 . . . . 57 I HG2 . 15296 1 664 . 1 1 58 58 ILE C C 13 177.17 0.05 . 1 . . . . 57 I C . 15296 1 665 . 1 1 58 58 ILE CA C 13 64.33 0.05 . 1 . . . . 57 I CA . 15296 1 666 . 1 1 58 58 ILE CB C 13 37.61 0.05 . 1 . . . . 57 I CB . 15296 1 667 . 1 1 58 58 ILE CD1 C 13 13.34 0.05 . 1 . . . . 57 I CD . 15296 1 668 . 1 1 58 58 ILE CG1 C 13 28.92 0.05 . 1 . . . . 57 I CG1 . 15296 1 669 . 1 1 58 58 ILE CG2 C 13 17.54 0.05 . 1 . . . . 57 I CG2 . 15296 1 670 . 1 1 58 58 ILE N N 15 120.83 0.05 . 1 . . . . 57 I N . 15296 1 671 . 1 1 59 59 MET H H 1 8.52 0.02 . 1 . . . . 58 M H . 15296 1 672 . 1 1 59 59 MET HA H 1 3.94 0.02 . 1 . . . . 58 M HA . 15296 1 673 . 1 1 59 59 MET HB2 H 1 2.19 0.02 . 1 . . . . 58 M HB . 15296 1 674 . 1 1 59 59 MET HB3 H 1 2.19 0.02 . 1 . . . . 58 M HB . 15296 1 675 . 1 1 59 59 MET HE1 H 1 2 0.02 . 1 . . . . 58 M HE . 15296 1 676 . 1 1 59 59 MET HE2 H 1 2 0.02 . 1 . . . . 58 M HE . 15296 1 677 . 1 1 59 59 MET HE3 H 1 2 0.02 . 1 . . . . 58 M HE . 15296 1 678 . 1 1 59 59 MET HG2 H 1 1.91 0.02 . 1 . . . . 58 M HG . 15296 1 679 . 1 1 59 59 MET HG3 H 1 1.91 0.02 . 1 . . . . 58 M HG . 15296 1 680 . 1 1 59 59 MET C C 13 176.78 0.05 . 1 . . . . 58 M C . 15296 1 681 . 1 1 59 59 MET CA C 13 58.33 0.05 . 1 . . . . 58 M CA . 15296 1 682 . 1 1 59 59 MET CB C 13 32.09 0.05 . 1 . . . . 58 M CB . 15296 1 683 . 1 1 59 59 MET CE C 13 17.5 0.05 . 1 . . . . 58 M CE . 15296 1 684 . 1 1 59 59 MET CG C 13 30.45 0.05 . 1 . . . . 58 M CG . 15296 1 685 . 1 1 59 59 MET N N 15 120.19 0.05 . 1 . . . . 58 M N . 15296 1 686 . 1 1 60 60 LYS H H 1 7.51 0.02 . 1 . . . . 59 K H . 15296 1 687 . 1 1 60 60 LYS HA H 1 3.95 0.02 . 1 . . . . 59 K HA . 15296 1 688 . 1 1 60 60 LYS HB2 H 1 1.89 0.02 . 1 . . . . 59 K HB . 15296 1 689 . 1 1 60 60 LYS HB3 H 1 1.89 0.02 . 1 . . . . 59 K HB . 15296 1 690 . 1 1 60 60 LYS HD2 H 1 2.03 0.02 . 1 . . . . 59 K HD . 15296 1 691 . 1 1 60 60 LYS HD3 H 1 2.03 0.02 . 1 . . . . 59 K HD . 15296 1 692 . 1 1 60 60 LYS HE2 H 1 3 0.02 . 1 . . . . 59 K HE . 15296 1 693 . 1 1 60 60 LYS HE3 H 1 3 0.02 . 1 . . . . 59 K HE . 15296 1 694 . 1 1 60 60 LYS HG2 H 1 1.47 0.02 . 1 . . . . 59 K HG . 15296 1 695 . 1 1 60 60 LYS HG3 H 1 1.47 0.02 . 1 . . . . 59 K HG . 15296 1 696 . 1 1 60 60 LYS C C 13 178.58 0.05 . 1 . . . . 59 K C . 15296 1 697 . 1 1 60 60 LYS CA C 13 58.15 0.05 . 1 . . . . 59 K CA . 15296 1 698 . 1 1 60 60 LYS CB C 13 31.99 0.05 . 1 . . . . 59 K CB . 15296 1 699 . 1 1 60 60 LYS CD C 13 28.69 0.05 . 1 . . . . 59 K CD . 15296 1 700 . 1 1 60 60 LYS CE C 13 41.68 0.05 . 1 . . . . 59 K CE . 15296 1 701 . 1 1 60 60 LYS CG C 13 24.59 0.05 . 1 . . . . 59 K CG . 15296 1 702 . 1 1 60 60 LYS N N 15 116.91 0.05 . 1 . . . . 59 K N . 15296 1 703 . 1 1 61 61 GLU H H 1 7.52 0.02 . 1 . . . . 60 E H . 15296 1 704 . 1 1 61 61 GLU HA H 1 3.93 0.02 . 1 . . . . 60 E HA . 15296 1 705 . 1 1 61 61 GLU HB2 H 1 1.86 0.02 . 1 . . . . 60 E HB . 15296 1 706 . 1 1 61 61 GLU HB3 H 1 1.86 0.02 . 1 . . . . 60 E HB . 15296 1 707 . 1 1 61 61 GLU HG2 H 1 2.25 0.02 . 1 . . . . 60 E HG . 15296 1 708 . 1 1 61 61 GLU HG3 H 1 2.25 0.02 . 1 . . . . 60 E HG . 15296 1 709 . 1 1 61 61 GLU C C 13 177.95 0.05 . 1 . . . . 60 E C . 15296 1 710 . 1 1 61 61 GLU CA C 13 57.76 0.05 . 1 . . . . 60 E CA . 15296 1 711 . 1 1 61 61 GLU CB C 13 29.14 0.05 . 1 . . . . 60 E CB . 15296 1 712 . 1 1 61 61 GLU CG C 13 35.49 0.05 . 1 . . . . 60 E CG . 15296 1 713 . 1 1 61 61 GLU N N 15 117.49 0.05 . 1 . . . . 60 E N . 15296 1 714 . 1 1 62 62 LEU H H 1 8.12 0.02 . 1 . . . . 61 L H . 15296 1 715 . 1 1 62 62 LEU HA H 1 4.36 0.02 . 1 . . . . 61 L HA . 15296 1 716 . 1 1 62 62 LEU HB2 H 1 1.9 0.02 . 1 . . . . 61 L HB . 15296 1 717 . 1 1 62 62 LEU HB3 H 1 1.9 0.02 . 1 . . . . 61 L HB . 15296 1 718 . 1 1 62 62 LEU HD11 H 1 1.38 0.02 . 1 . . . . 61 L HD . 15296 1 719 . 1 1 62 62 LEU HD12 H 1 1.38 0.02 . 1 . . . . 61 L HD . 15296 1 720 . 1 1 62 62 LEU HD13 H 1 1.38 0.02 . 1 . . . . 61 L HD . 15296 1 721 . 1 1 62 62 LEU HD21 H 1 1.38 0.02 . 1 . . . . 61 L HD . 15296 1 722 . 1 1 62 62 LEU HD22 H 1 1.38 0.02 . 1 . . . . 61 L HD . 15296 1 723 . 1 1 62 62 LEU HD23 H 1 1.38 0.02 . 1 . . . . 61 L HD . 15296 1 724 . 1 1 62 62 LEU HG H 1 1.75 0.02 . 1 . . . . 61 L HG . 15296 1 725 . 1 1 62 62 LEU C C 13 178.56 0.05 . 1 . . . . 61 L C . 15296 1 726 . 1 1 62 62 LEU CA C 13 54.95 0.05 . 1 . . . . 61 L CA . 15296 1 727 . 1 1 62 62 LEU CB C 13 43.47 0.05 . 1 . . . . 61 L CB . 15296 1 728 . 1 1 62 62 LEU CD1 C 13 22.13 0.05 . 1 . . . . 61 L CD . 15296 1 729 . 1 1 62 62 LEU CD2 C 13 22.13 0.05 . 1 . . . . 61 L CD . 15296 1 730 . 1 1 62 62 LEU CG C 13 26.11 0.05 . 1 . . . . 61 L CG . 15296 1 731 . 1 1 62 62 LEU N N 15 116.9 0.05 . 1 . . . . 61 L N . 15296 1 732 . 1 1 63 63 ASP H H 1 7.95 0.02 . 1 . . . . 62 D H . 15296 1 733 . 1 1 63 63 ASP HA H 1 4.72 0.02 . 1 . . . . 62 D HA . 15296 1 734 . 1 1 63 63 ASP HB2 H 1 2.38 0.02 . 2 . . . . 62 D HB2 . 15296 1 735 . 1 1 63 63 ASP HB3 H 1 2.84 0.02 . 2 . . . . 62 D HB3 . 15296 1 736 . 1 1 63 63 ASP C C 13 176.23 0.05 . 1 . . . . 62 D C . 15296 1 737 . 1 1 63 63 ASP CA C 13 53.08 0.05 . 1 . . . . 62 D CA . 15296 1 738 . 1 1 63 63 ASP CB C 13 38.55 0.05 . 1 . . . . 62 D CB . 15296 1 739 . 1 1 63 63 ASP N N 15 117.85 0.05 . 1 . . . . 62 D N . 15296 1 740 . 1 1 64 64 GLU H H 1 8.36 0.02 . 1 . . . . 63 E H . 15296 1 741 . 1 1 64 64 GLU HA H 1 4.05 0.02 . 1 . . . . 63 E HA . 15296 1 742 . 1 1 64 64 GLU HB2 H 1 2.11 0.02 . 1 . . . . 63 E HB . 15296 1 743 . 1 1 64 64 GLU HB3 H 1 2.11 0.02 . 1 . . . . 63 E HB . 15296 1 744 . 1 1 64 64 GLU HG2 H 1 2.81 0.02 . 1 . . . . 63 E HG . 15296 1 745 . 1 1 64 64 GLU HG3 H 1 2.81 0.02 . 1 . . . . 63 E HG . 15296 1 746 . 1 1 64 64 GLU C C 13 177.25 0.05 . 1 . . . . 63 E C . 15296 1 747 . 1 1 64 64 GLU CA C 13 58.23 0.05 . 1 . . . . 63 E CA . 15296 1 748 . 1 1 64 64 GLU CB C 13 29.71 0.05 . 1 . . . . 63 E CB . 15296 1 749 . 1 1 64 64 GLU CG C 13 35.6 0.05 . 1 . . . . 63 E CG . 15296 1 750 . 1 1 64 64 GLU N N 15 129.54 0.05 . 1 . . . . 63 E N . 15296 1 751 . 1 1 65 65 ASN H H 1 8.03 0.02 . 1 . . . . 64 N H . 15296 1 752 . 1 1 65 65 ASN HA H 1 4.72 0.02 . 1 . . . . 64 N HA . 15296 1 753 . 1 1 65 65 ASN HB2 H 1 2.91 0.02 . 1 . . . . 64 N HB . 15296 1 754 . 1 1 65 65 ASN HB3 H 1 2.91 0.02 . 1 . . . . 64 N HB . 15296 1 755 . 1 1 65 65 ASN C C 13 176.31 0.05 . 1 . . . . 64 N C . 15296 1 756 . 1 1 65 65 ASN CA C 13 51.67 0.05 . 1 . . . . 64 N CA . 15296 1 757 . 1 1 65 65 ASN CB C 13 36.91 0.05 . 1 . . . . 64 N CB . 15296 1 758 . 1 1 65 65 ASN N N 15 113.92 0.05 . 1 . . . . 64 N N . 15296 1 759 . 1 1 66 66 GLY H H 1 7.56 0.02 . 1 . . . . 65 G H . 15296 1 760 . 1 1 66 66 GLY HA2 H 1 3.83 0.02 . 1 . . . . 65 G HA . 15296 1 761 . 1 1 66 66 GLY HA3 H 1 3.83 0.02 . 1 . . . . 65 G HA . 15296 1 762 . 1 1 66 66 GLY C C 13 174.67 0.05 . 1 . . . . 65 G C . 15296 1 763 . 1 1 66 66 GLY CA C 13 47 0.05 . 1 . . . . 65 G CA . 15296 1 764 . 1 1 66 66 GLY N N 15 110.64 0.05 . 1 . . . . 65 G N . 15296 1 765 . 1 1 67 67 ASP H H 1 8.12 0.02 . 1 . . . . 66 D H . 15296 1 766 . 1 1 67 67 ASP HA H 1 4.55 0.02 . 1 . . . . 66 D HA . 15296 1 767 . 1 1 67 67 ASP HB2 H 1 2.86 0.02 . 1 . . . . 66 D HB . 15296 1 768 . 1 1 67 67 ASP HB3 H 1 2.86 0.02 . 1 . . . . 66 D HB . 15296 1 769 . 1 1 67 67 ASP C C 13 177.09 0.05 . 1 . . . . 66 D C . 15296 1 770 . 1 1 67 67 ASP CA C 13 52.84 0.05 . 1 . . . . 66 D CA . 15296 1 771 . 1 1 67 67 ASP CB C 13 39.95 0.05 . 1 . . . . 66 D CB . 15296 1 772 . 1 1 67 67 ASP N N 15 120.07 0.05 . 1 . . . . 66 D N . 15296 1 773 . 1 1 68 68 GLY H H 1 10.292 0.02 . 1 . . . . 67 G H . 15296 1 774 . 1 1 68 68 GLY HA2 H 1 3.42 0.02 . 2 . . . . 67 G HA2 . 15296 1 775 . 1 1 68 68 GLY HA3 H 1 4.05 0.02 . 2 . . . . 67 G HA3 . 15296 1 776 . 1 1 68 68 GLY C C 13 172.33 0.05 . 1 . . . . 67 G C . 15296 1 777 . 1 1 68 68 GLY CA C 13 45.34 0.05 . 1 . . . . 67 G CA . 15296 1 778 . 1 1 68 68 GLY N N 15 114.5 0.05 . 1 . . . . 67 G N . 15296 1 779 . 1 1 69 69 GLU H H 1 7.75 0.02 . 1 . . . . 68 E H . 15296 1 780 . 1 1 69 69 GLU HA H 1 4.8 0.02 . 1 . . . . 68 E HA . 15296 1 781 . 1 1 69 69 GLU HB2 H 1 1.33 0.02 . 1 . . . . 68 E HB . 15296 1 782 . 1 1 69 69 GLU HB3 H 1 1.33 0.02 . 1 . . . . 68 E HB . 15296 1 783 . 1 1 69 69 GLU HG2 H 1 2.03 0.02 . 1 . . . . 68 E HG . 15296 1 784 . 1 1 69 69 GLU HG3 H 1 2.03 0.02 . 1 . . . . 68 E HG . 15296 1 785 . 1 1 69 69 GLU C C 13 175.14 0.05 . 1 . . . . 68 E C . 15296 1 786 . 1 1 69 69 GLU CA C 13 54.25 0.05 . 1 . . . . 68 E CA . 15296 1 787 . 1 1 69 69 GLU CB C 13 35.49 0.05 . 1 . . . . 68 E CB . 15296 1 788 . 1 1 69 69 GLU CG C 13 36.89 0.05 . 1 . . . . 68 E CG . 15296 1 789 . 1 1 69 69 GLU N N 15 118.02 0.05 . 1 . . . . 68 E N . 15296 1 790 . 1 1 70 70 VAL H H 1 9.32 0.02 . 1 . . . . 69 V H . 15296 1 791 . 1 1 70 70 VAL HA H 1 5.26 0.02 . 1 . . . . 69 V HA . 15296 1 792 . 1 1 70 70 VAL HB H 1 2.17 0.02 . 1 . . . . 69 V HB . 15296 1 793 . 1 1 70 70 VAL HG11 H 1 1.23 0.02 . 1 . . . . 69 V HG1 . 15296 1 794 . 1 1 70 70 VAL HG12 H 1 1.23 0.02 . 1 . . . . 69 V HG1 . 15296 1 795 . 1 1 70 70 VAL HG13 H 1 1.23 0.02 . 1 . . . . 69 V HG1 . 15296 1 796 . 1 1 70 70 VAL HG21 H 1 0.95 0.02 . 1 . . . . 69 V HG2 . 15296 1 797 . 1 1 70 70 VAL HG22 H 1 0.95 0.02 . 1 . . . . 69 V HG2 . 15296 1 798 . 1 1 70 70 VAL HG23 H 1 0.95 0.02 . 1 . . . . 69 V HG2 . 15296 1 799 . 1 1 70 70 VAL C C 13 175.92 0.05 . 1 . . . . 69 V C . 15296 1 800 . 1 1 70 70 VAL CA C 13 60.81 0.05 . 1 . . . . 69 V CA . 15296 1 801 . 1 1 70 70 VAL CB C 13 33.63 0.05 . 1 . . . . 69 V CB . 15296 1 802 . 1 1 70 70 VAL CG1 C 13 22.48 0.05 . 1 . . . . 69 V CG1 . 15296 1 803 . 1 1 70 70 VAL CG2 C 13 22.13 0.05 . 1 . . . . 69 V CG2 . 15296 1 804 . 1 1 70 70 VAL N N 15 125.38 0.05 . 1 . . . . 69 V N . 15296 1 805 . 1 1 71 71 ASP H H 1 9.12 0.02 . 1 . . . . 70 D H . 15296 1 806 . 1 1 71 71 ASP HA H 1 5.2 0.02 . 1 . . . . 70 D HA . 15296 1 807 . 1 1 71 71 ASP HB2 H 1 2.64 0.02 . 1 . . . . 70 D HB . 15296 1 808 . 1 1 71 71 ASP HB3 H 1 2.64 0.02 . 1 . . . . 70 D HB . 15296 1 809 . 1 1 71 71 ASP C C 13 174.91 0.05 . 1 . . . . 70 D C . 15296 1 810 . 1 1 71 71 ASP CA C 13 52.37 0.05 . 1 . . . . 70 D CA . 15296 1 811 . 1 1 71 71 ASP CB C 13 41.36 0.05 . 1 . . . . 70 D CB . 15296 1 812 . 1 1 71 71 ASP N N 15 129.68 0.05 . 1 . . . . 70 D N . 15296 1 813 . 1 1 72 72 PHE H H 1 9.04 0.02 . 1 . . . . 71 F H . 15296 1 814 . 1 1 72 72 PHE HA H 1 3.41 0.02 . 1 . . . . 71 F HA . 15296 1 815 . 1 1 72 72 PHE HB2 H 1 2.6 0.02 . 1 . . . . 71 F HB . 15296 1 816 . 1 1 72 72 PHE HB3 H 1 2.6 0.02 . 1 . . . . 71 F HB . 15296 1 817 . 1 1 72 72 PHE CA C 13 62.45 0.05 . 1 . . . . 71 F CA . 15296 1 818 . 1 1 72 72 PHE CB C 13 38.55 0.05 . 1 . . . . 71 F CB . 15296 1 819 . 1 1 72 72 PHE N N 15 119.49 0.05 . 1 . . . . 71 F N . 15296 1 820 . 1 1 73 73 GLN HA H 1 4.1 0.02 . 1 . . . . 72 Q HA . 15296 1 821 . 1 1 73 73 GLN CA C 13 59.16 0.05 . 1 . . . . 72 Q CA . 15296 1 822 . 1 1 73 73 GLN CB C 13 27.63 0.05 . 1 . . . . 72 Q CB . 15296 1 823 . 1 1 73 73 GLN CG C 13 34.08 0.05 . 1 . . . . 72 Q CG . 15296 1 824 . 1 1 74 74 GLU HA H 1 4.15 0.02 . 1 . . . . 73 E HA . 15296 1 825 . 1 1 74 74 GLU HB2 H 1 2.1 0.02 . 1 . . . . 73 E HB . 15296 1 826 . 1 1 74 74 GLU HB3 H 1 2.1 0.02 . 1 . . . . 73 E HB . 15296 1 827 . 1 1 74 74 GLU HG2 H 1 2.3 0.02 . 1 . . . . 73 E HG . 15296 1 828 . 1 1 74 74 GLU HG3 H 1 2.3 0.02 . 1 . . . . 73 E HG . 15296 1 829 . 1 1 74 74 GLU C C 13 178.03 0.05 . 1 . . . . 73 E C . 15296 1 830 . 1 1 74 74 GLU CA C 13 58.23 0.05 . 1 . . . . 73 E CA . 15296 1 831 . 1 1 74 74 GLU CB C 13 29.88 0.05 . 1 . . . . 73 E CB . 15296 1 832 . 1 1 74 74 GLU CG C 13 36.78 0.05 . 1 . . . . 73 E CG . 15296 1 833 . 1 1 75 75 PHE H H 1 8.52 0.02 . 1 . . . . 74 F H . 15296 1 834 . 1 1 75 75 PHE HA H 1 4.08 0.02 . 1 . . . . 74 F HA . 15296 1 835 . 1 1 75 75 PHE HB2 H 1 3.01 0.02 . 1 . . . . 74 F HB . 15296 1 836 . 1 1 75 75 PHE HB3 H 1 3.01 0.02 . 1 . . . . 74 F HB . 15296 1 837 . 1 1 75 75 PHE C C 13 176.39 0.05 . 1 . . . . 74 F C . 15296 1 838 . 1 1 75 75 PHE CA C 13 60.01 0.05 . 1 . . . . 74 F CA . 15296 1 839 . 1 1 75 75 PHE CB C 13 39.25 0.05 . 1 . . . . 74 F CB . 15296 1 840 . 1 1 75 75 PHE N N 15 120.63 0.05 . 1 . . . . 74 F N . 15296 1 841 . 1 1 76 76 VAL H H 1 8.17 0.02 . 1 . . . . 75 V H . 15296 1 842 . 1 1 76 76 VAL HA H 1 2.89 0.02 . 1 . . . . 75 V HA . 15296 1 843 . 1 1 76 76 VAL HB H 1 1.62 0.02 . 1 . . . . 75 V HB . 15296 1 844 . 1 1 76 76 VAL HG11 H 1 0.62 0.02 . 1 . . . . 75 V HG1 . 15296 1 845 . 1 1 76 76 VAL HG12 H 1 0.62 0.02 . 1 . . . . 75 V HG1 . 15296 1 846 . 1 1 76 76 VAL HG13 H 1 0.62 0.02 . 1 . . . . 75 V HG1 . 15296 1 847 . 1 1 76 76 VAL HG21 H 1 0.85 0.02 . 1 . . . . 75 V HG2 . 15296 1 848 . 1 1 76 76 VAL HG22 H 1 0.85 0.02 . 1 . . . . 75 V HG2 . 15296 1 849 . 1 1 76 76 VAL HG23 H 1 0.85 0.02 . 1 . . . . 75 V HG2 . 15296 1 850 . 1 1 76 76 VAL C C 13 176.23 0.05 . 1 . . . . 75 V C . 15296 1 851 . 1 1 76 76 VAL CA C 13 65.97 0.05 . 1 . . . . 75 V CA . 15296 1 852 . 1 1 76 76 VAL CB C 13 30.11 0.05 . 1 . . . . 75 V CB . 15296 1 853 . 1 1 76 76 VAL CG1 C 13 23.3 0.05 . 1 . . . . 75 V CG1 . 15296 1 854 . 1 1 76 76 VAL CG2 C 13 21.19 0.05 . 1 . . . . 75 V CG2 . 15296 1 855 . 1 1 76 76 VAL N N 15 120.1 0.05 . 1 . . . . 75 V N . 15296 1 856 . 1 1 77 77 VAL H H 1 7.2 0.02 . 1 . . . . 76 V H . 15296 1 857 . 1 1 77 77 VAL HA H 1 3.39 0.02 . 1 . . . . 76 V HA . 15296 1 858 . 1 1 77 77 VAL HB H 1 2.22 0.02 . 1 . . . . 76 V HB . 15296 1 859 . 1 1 77 77 VAL HG11 H 1 1.05 0.02 . 1 . . . . 76 V HG1 . 15296 1 860 . 1 1 77 77 VAL HG12 H 1 1.05 0.02 . 1 . . . . 76 V HG1 . 15296 1 861 . 1 1 77 77 VAL HG13 H 1 1.05 0.02 . 1 . . . . 76 V HG1 . 15296 1 862 . 1 1 77 77 VAL HG21 H 1 0.89 0.02 . 1 . . . . 76 V HG2 . 15296 1 863 . 1 1 77 77 VAL HG22 H 1 0.89 0.02 . 1 . . . . 76 V HG2 . 15296 1 864 . 1 1 77 77 VAL HG23 H 1 0.89 0.02 . 1 . . . . 76 V HG2 . 15296 1 865 . 1 1 77 77 VAL C C 13 177.88 0.05 . 1 . . . . 76 V C . 15296 1 866 . 1 1 77 77 VAL CA C 13 66.67 0.05 . 1 . . . . 76 V CA . 15296 1 867 . 1 1 77 77 VAL CB C 13 30.81 0.05 . 1 . . . . 76 V CB . 15296 1 868 . 1 1 77 77 VAL CG1 C 13 22.24 0.05 . 1 . . . . 76 V CG1 . 15296 1 869 . 1 1 77 77 VAL CG2 C 13 20.37 0.05 . 1 . . . . 76 V CG2 . 15296 1 870 . 1 1 77 77 VAL N N 15 120.69 0.05 . 1 . . . . 76 V N . 15296 1 871 . 1 1 78 78 LEU H H 1 6.84 0.02 . 1 . . . . 77 L H . 15296 1 872 . 1 1 78 78 LEU HA H 1 3.92 0.02 . 1 . . . . 77 L HA . 15296 1 873 . 1 1 78 78 LEU HB2 H 1 1.92 0.02 . 1 . . . . 77 L HB . 15296 1 874 . 1 1 78 78 LEU HB3 H 1 1.92 0.02 . 1 . . . . 77 L HB . 15296 1 875 . 1 1 78 78 LEU HD11 H 1 0.75 0.02 . 1 . . . . 77 L HD1 . 15296 1 876 . 1 1 78 78 LEU HD12 H 1 0.75 0.02 . 1 . . . . 77 L HD1 . 15296 1 877 . 1 1 78 78 LEU HD13 H 1 0.75 0.02 . 1 . . . . 77 L HD1 . 15296 1 878 . 1 1 78 78 LEU HD21 H 1 0.75 0.02 . 1 . . . . 77 L HD2 . 15296 1 879 . 1 1 78 78 LEU HD22 H 1 0.75 0.02 . 1 . . . . 77 L HD2 . 15296 1 880 . 1 1 78 78 LEU HD23 H 1 0.75 0.02 . 1 . . . . 77 L HD2 . 15296 1 881 . 1 1 78 78 LEU HG H 1 1.55 0.02 . 1 . . . . 77 L HG . 15296 1 882 . 1 1 78 78 LEU C C 13 177.09 0.05 . 1 . . . . 77 L C . 15296 1 883 . 1 1 78 78 LEU CA C 13 57.3 0.05 . 1 . . . . 77 L CA . 15296 1 884 . 1 1 78 78 LEU CB C 13 40.19 0.05 . 1 . . . . 77 L CB . 15296 1 885 . 1 1 78 78 LEU CD1 C 13 24.47 0.05 . 1 . . . . 77 L CD1 . 15296 1 886 . 1 1 78 78 LEU CD2 C 13 22.24 0.05 . 1 . . . . 77 L CD2 . 15296 1 887 . 1 1 78 78 LEU CG C 13 26.35 0.05 . 1 . . . . 77 L CG . 15296 1 888 . 1 1 78 78 LEU N N 15 120.45 0.05 . 1 . . . . 77 L N . 15296 1 889 . 1 1 79 79 VAL H H 1 7.24 0.02 . 1 . . . . 78 V H . 15296 1 890 . 1 1 79 79 VAL HA H 1 3.05 0.02 . 1 . . . . 78 V HA . 15296 1 891 . 1 1 79 79 VAL HB H 1 1.55 0.02 . 1 . . . . 78 V HB . 15296 1 892 . 1 1 79 79 VAL HG11 H 1 0.67 0.02 . 1 . . . . 78 V HG1 . 15296 1 893 . 1 1 79 79 VAL HG12 H 1 0.67 0.02 . 1 . . . . 78 V HG1 . 15296 1 894 . 1 1 79 79 VAL HG13 H 1 0.67 0.02 . 1 . . . . 78 V HG1 . 15296 1 895 . 1 1 79 79 VAL HG21 H 1 0.27 0.02 . 1 . . . . 78 V HG2 . 15296 1 896 . 1 1 79 79 VAL HG22 H 1 0.27 0.02 . 1 . . . . 78 V HG2 . 15296 1 897 . 1 1 79 79 VAL HG23 H 1 0.27 0.02 . 1 . . . . 78 V HG2 . 15296 1 898 . 1 1 79 79 VAL C C 13 178.73 0.05 . 1 . . . . 78 V C . 15296 1 899 . 1 1 79 79 VAL CA C 13 66 0.05 . 1 . . . . 78 V CA . 15296 1 900 . 1 1 79 79 VAL CB C 13 31.05 0.05 . 1 . . . . 78 V CB . 15296 1 901 . 1 1 79 79 VAL CG1 C 13 20.02 0.05 . 1 . . . . 78 V CG1 . 15296 1 902 . 1 1 79 79 VAL CG2 C 13 22.48 0.05 . 1 . . . . 78 V CG2 . 15296 1 903 . 1 1 79 79 VAL N N 15 117.7 0.05 . 1 . . . . 78 V N . 15296 1 904 . 1 1 80 80 ALA H H 1 9.01 0.02 . 1 . . . . 79 A H . 15296 1 905 . 1 1 80 80 ALA HA H 1 3.61 0.02 . 1 . . . . 79 A HA . 15296 1 906 . 1 1 80 80 ALA HB1 H 1 1.17 0.02 . 1 . . . . 79 A HB . 15296 1 907 . 1 1 80 80 ALA HB2 H 1 1.17 0.02 . 1 . . . . 79 A HB . 15296 1 908 . 1 1 80 80 ALA HB3 H 1 1.17 0.02 . 1 . . . . 79 A HB . 15296 1 909 . 1 1 80 80 ALA C C 13 177.72 0.05 . 1 . . . . 79 A C . 15296 1 910 . 1 1 80 80 ALA CA C 13 55.42 0.05 . 1 . . . . 79 A CA . 15296 1 911 . 1 1 80 80 ALA CB C 13 17.46 0.05 . 1 . . . . 79 A CB . 15296 1 912 . 1 1 80 80 ALA N N 15 125.29 0.05 . 1 . . . . 79 A N . 15296 1 913 . 1 1 81 81 ALA H H 1 7.82 0.02 . 1 . . . . 80 A H . 15296 1 914 . 1 1 81 81 ALA HA H 1 3.97 0.02 . 1 . . . . 80 A HA . 15296 1 915 . 1 1 81 81 ALA HB1 H 1 1.38 0.02 . 1 . . . . 80 A HB . 15296 1 916 . 1 1 81 81 ALA HB2 H 1 1.38 0.02 . 1 . . . . 80 A HB . 15296 1 917 . 1 1 81 81 ALA HB3 H 1 1.38 0.02 . 1 . . . . 80 A HB . 15296 1 918 . 1 1 81 81 ALA C C 13 181 0.05 . 1 . . . . 80 A C . 15296 1 919 . 1 1 81 81 ALA CA C 13 54.65 0.05 . 1 . . . . 80 A CA . 15296 1 920 . 1 1 81 81 ALA CB C 13 17.69 0.05 . 1 . . . . 80 A CB . 15296 1 921 . 1 1 81 81 ALA N N 15 120.31 0.05 . 1 . . . . 80 A N . 15296 1 922 . 1 1 82 82 LEU H H 1 8.44 0.02 . 1 . . . . 81 L H . 15296 1 923 . 1 1 82 82 LEU HA H 1 3.92 0.02 . 1 . . . . 81 L HA . 15296 1 924 . 1 1 82 82 LEU HB2 H 1 2.11 0.02 . 1 . . . . 81 L HB . 15296 1 925 . 1 1 82 82 LEU HB3 H 1 2.11 0.02 . 1 . . . . 81 L HB . 15296 1 926 . 1 1 82 82 LEU HD11 H 1 0.5 0.02 . 1 . . . . 81 L HD1 . 15296 1 927 . 1 1 82 82 LEU HD12 H 1 0.5 0.02 . 1 . . . . 81 L HD1 . 15296 1 928 . 1 1 82 82 LEU HD13 H 1 0.5 0.02 . 1 . . . . 81 L HD1 . 15296 1 929 . 1 1 82 82 LEU HD21 H 1 0.6 0.02 . 1 . . . . 81 L HD2 . 15296 1 930 . 1 1 82 82 LEU HD22 H 1 0.6 0.02 . 1 . . . . 81 L HD2 . 15296 1 931 . 1 1 82 82 LEU HD23 H 1 0.6 0.02 . 1 . . . . 81 L HD2 . 15296 1 932 . 1 1 82 82 LEU HG H 1 1.55 0.02 . 1 . . . . 81 L HG . 15296 1 933 . 1 1 82 82 LEU C C 13 178.27 0.05 . 1 . . . . 81 L C . 15296 1 934 . 1 1 82 82 LEU CA C 13 57.06 0.05 . 1 . . . . 81 L CA . 15296 1 935 . 1 1 82 82 LEU CB C 13 41.59 0.05 . 1 . . . . 81 L CB . 15296 1 936 . 1 1 82 82 LEU CD1 C 13 22.24 0.05 . 1 . . . . 81 L CD1 . 15296 1 937 . 1 1 82 82 LEU CD2 C 13 25 0.05 . 1 . . . . 81 L CD2 . 15296 1 938 . 1 1 82 82 LEU CG C 13 25.41 0.05 . 1 . . . . 81 L CG . 15296 1 939 . 1 1 82 82 LEU N N 15 119.49 0.05 . 1 . . . . 81 L N . 15296 1 940 . 1 1 83 83 THR H H 1 8.38 0.02 . 1 . . . . 82 T H . 15296 1 941 . 1 1 83 83 THR HA H 1 4.28 0.02 . 1 . . . . 82 T HA . 15296 1 942 . 1 1 83 83 THR HB H 1 4.47 0.02 . 1 . . . . 82 T HB . 15296 1 943 . 1 1 83 83 THR HG21 H 1 1.06 0.02 . 1 . . . . 82 T HG . 15296 1 944 . 1 1 83 83 THR HG22 H 1 1.06 0.02 . 1 . . . . 82 T HG . 15296 1 945 . 1 1 83 83 THR HG23 H 1 1.06 0.02 . 1 . . . . 82 T HG . 15296 1 946 . 1 1 83 83 THR C C 13 176.55 0.05 . 1 . . . . 82 T C . 15296 1 947 . 1 1 83 83 THR CA C 13 68.41 0.05 . 1 . . . . 82 T CA . 15296 1 948 . 1 1 83 83 THR CB C 13 67.37 0.05 . 1 . . . . 82 T CB . 15296 1 949 . 1 1 83 83 THR CG2 C 13 22.13 0.05 . 1 . . . . 82 T CG . 15296 1 950 . 1 1 83 83 THR N N 15 119.4 0.05 . 1 . . . . 82 T N . 15296 1 951 . 1 1 84 84 VAL H H 1 8.1 0.02 . 1 . . . . 83 V H . 15296 1 952 . 1 1 84 84 VAL HA H 1 3.73 0.02 . 1 . . . . 83 V HA . 15296 1 953 . 1 1 84 84 VAL HB H 1 2.14 0.02 . 1 . . . . 83 V HB . 15296 1 954 . 1 1 84 84 VAL HG11 H 1 1.03 0.02 . 1 . . . . 83 V HG1 . 15296 1 955 . 1 1 84 84 VAL HG12 H 1 1.03 0.02 . 1 . . . . 83 V HG1 . 15296 1 956 . 1 1 84 84 VAL HG13 H 1 1.03 0.02 . 1 . . . . 83 V HG1 . 15296 1 957 . 1 1 84 84 VAL HG21 H 1 1 0.02 . 1 . . . . 83 V HG2 . 15296 1 958 . 1 1 84 84 VAL HG22 H 1 1 0.02 . 1 . . . . 83 V HG2 . 15296 1 959 . 1 1 84 84 VAL HG23 H 1 1 0.02 . 1 . . . . 83 V HG2 . 15296 1 960 . 1 1 84 84 VAL C C 13 177.48 0.05 . 1 . . . . 83 V C . 15296 1 961 . 1 1 84 84 VAL CA C 13 66.9 0.05 . 1 . . . . 83 V CA . 15296 1 962 . 1 1 84 84 VAL CB C 13 31.52 0.05 . 1 . . . . 83 V CB . 15296 1 963 . 1 1 84 84 VAL CG1 C 13 23.42 0.05 . 1 . . . . 83 V CG1 . 15296 1 964 . 1 1 84 84 VAL CG2 C 13 20.84 0.05 . 1 . . . . 83 V CG2 . 15296 1 965 . 1 1 84 84 VAL N N 15 122.56 0.05 . 1 . . . . 83 V N . 15296 1 966 . 1 1 85 85 ALA H H 1 7.96 0.02 . 1 . . . . 84 A H . 15296 1 967 . 1 1 85 85 ALA HA H 1 4.14 0.02 . 1 . . . . 84 A HA . 15296 1 968 . 1 1 85 85 ALA HB1 H 1 1.51 0.02 . 1 . . . . 84 A HB . 15296 1 969 . 1 1 85 85 ALA HB2 H 1 1.51 0.02 . 1 . . . . 84 A HB . 15296 1 970 . 1 1 85 85 ALA HB3 H 1 1.51 0.02 . 1 . . . . 84 A HB . 15296 1 971 . 1 1 85 85 ALA C C 13 179.99 0.05 . 1 . . . . 84 A C . 15296 1 972 . 1 1 85 85 ALA CA C 13 54.95 0.05 . 1 . . . . 84 A CA . 15296 1 973 . 1 1 85 85 ALA CB C 13 17.69 0.05 . 1 . . . . 84 A CB . 15296 1 974 . 1 1 85 85 ALA N N 15 122.39 0.05 . 1 . . . . 84 A N . 15296 1 975 . 1 1 86 86 CYS H H 1 8.53 0.02 . 1 . . . . 85 C H . 15296 1 976 . 1 1 86 86 CYS HA H 1 4.14 0.02 . 1 . . . . 85 C HA . 15296 1 977 . 1 1 86 86 CYS HB2 H 1 3.13 0.02 . 1 . . . . 85 C HB . 15296 1 978 . 1 1 86 86 CYS HB3 H 1 3.13 0.02 . 1 . . . . 85 C HB . 15296 1 979 . 1 1 86 86 CYS C C 13 176.16 0.05 . 1 . . . . 85 C C . 15296 1 980 . 1 1 86 86 CYS CA C 13 62.69 0.05 . 1 . . . . 85 C CA . 15296 1 981 . 1 1 86 86 CYS CB C 13 26.6 0.05 . 1 . . . . 85 C CB . 15296 1 982 . 1 1 86 86 CYS N N 15 118.34 0.05 . 1 . . . . 85 C N . 15296 1 983 . 1 1 87 87 ASN H H 1 8.28 0.02 . 1 . . . . 86 N H . 15296 1 984 . 1 1 87 87 ASN HA H 1 4.4 0.02 . 1 . . . . 86 N HA . 15296 1 985 . 1 1 87 87 ASN HB2 H 1 2.9 0.02 . 1 . . . . 86 N HB . 15296 1 986 . 1 1 87 87 ASN HB3 H 1 2.9 0.02 . 1 . . . . 86 N HB . 15296 1 987 . 1 1 87 87 ASN C C 13 176.06 0.05 . 1 . . . . 86 N C . 15296 1 988 . 1 1 87 87 ASN CA C 13 56.83 0.05 . 1 . . . . 86 N CA . 15296 1 989 . 1 1 87 87 ASN CB C 13 39.95 0.05 . 1 . . . . 86 N CB . 15296 1 990 . 1 1 87 87 ASN N N 15 120.31 0.05 . 1 . . . . 86 N N . 15296 1 991 . 1 1 88 88 ASN H H 1 8.27 0.02 . 1 . . . . 87 N H . 15296 1 992 . 1 1 88 88 ASN HA H 1 4.45 0.02 . 1 . . . . 87 N HA . 15296 1 993 . 1 1 88 88 ASN HB2 H 1 2.78 0.02 . 1 . . . . 87 N HB . 15296 1 994 . 1 1 88 88 ASN HB3 H 1 2.78 0.02 . 1 . . . . 87 N HB . 15296 1 995 . 1 1 88 88 ASN C C 13 176.31 0.05 . 1 . . . . 87 N C . 15296 1 996 . 1 1 88 88 ASN CA C 13 54.95 0.05 . 1 . . . . 87 N CA . 15296 1 997 . 1 1 88 88 ASN CB C 13 37.55 0.05 . 1 . . . . 87 N CB . 15296 1 998 . 1 1 88 88 ASN N N 15 117.95 0.05 . 1 . . . . 87 N N . 15296 1 999 . 1 1 89 89 PHE H H 1 7.98 0.02 . 1 . . . . 88 F H . 15296 1 1000 . 1 1 89 89 PHE HA H 1 4.23 0.02 . 1 . . . . 88 F HA . 15296 1 1001 . 1 1 89 89 PHE HB2 H 1 2.7 0.02 . 1 . . . . 88 F HB . 15296 1 1002 . 1 1 89 89 PHE HB3 H 1 2.7 0.02 . 1 . . . . 88 F HB . 15296 1 1003 . 1 1 89 89 PHE C C 13 176.7 0.05 . 1 . . . . 88 F C . 15296 1 1004 . 1 1 89 89 PHE CA C 13 59.64 0.05 . 1 . . . . 88 F CA . 15296 1 1005 . 1 1 89 89 PHE CB C 13 39.02 0.05 . 1 . . . . 88 F CB . 15296 1 1006 . 1 1 89 89 PHE N N 15 119.31 0.05 . 1 . . . . 88 F N . 15296 1 1007 . 1 1 90 90 PHE H H 1 7.78 0.02 . 1 . . . . 89 F H . 15296 1 1008 . 1 1 90 90 PHE HA H 1 4.4 0.02 . 1 . . . . 89 F HA . 15296 1 1009 . 1 1 90 90 PHE HB2 H 1 2.9 0.02 . 1 . . . . 89 F HB . 15296 1 1010 . 1 1 90 90 PHE HB3 H 1 2.9 0.02 . 1 . . . . 89 F HB . 15296 1 1011 . 1 1 90 90 PHE C C 13 175.77 0.05 . 1 . . . . 89 F C . 15296 1 1012 . 1 1 90 90 PHE CA C 13 57.4 0.05 . 1 . . . . 89 F CA . 15296 1 1013 . 1 1 90 90 PHE CB C 13 40.17 0.05 . 1 . . . . 89 F CB . 15296 1 1014 . 1 1 90 90 PHE N N 15 119.52 0.05 . 1 . . . . 89 F N . 15296 1 1015 . 1 1 91 91 TRP H H 1 7.88 0.02 . 1 . . . . 90 W H . 15296 1 1016 . 1 1 91 91 TRP HA H 1 4.3 0.02 . 1 . . . . 90 W HA . 15296 1 1017 . 1 1 91 91 TRP HB2 H 1 2.25 0.02 . 1 . . . . 90 W HB . 15296 1 1018 . 1 1 91 91 TRP HB3 H 1 2.25 0.02 . 1 . . . . 90 W HB . 15296 1 1019 . 1 1 91 91 TRP CA C 13 59.91 0.05 . 1 . . . . 90 W CA . 15296 1 1020 . 1 1 91 91 TRP CB C 13 31.99 0.05 . 1 . . . . 90 W CB . 15296 1 1021 . 1 1 91 91 TRP N N 15 119.37 0.05 . 1 . . . . 90 W N . 15296 1 1022 . 1 1 92 92 GLU HA H 1 4.25 0.02 . 1 . . . . 91 E HA . 15296 1 1023 . 1 1 92 92 GLU HB2 H 1 1.94 0.02 . 1 . . . . 91 E HB . 15296 1 1024 . 1 1 92 92 GLU HB3 H 1 1.94 0.02 . 1 . . . . 91 E HB . 15296 1 1025 . 1 1 92 92 GLU HG2 H 1 2.05 0.02 . 1 . . . . 91 E HG . 15296 1 1026 . 1 1 92 92 GLU HG3 H 1 2.05 0.02 . 1 . . . . 91 E HG . 15296 1 1027 . 1 1 92 92 GLU C C 13 176.7 0.05 . 1 . . . . 91 E C . 15296 1 1028 . 1 1 92 92 GLU CA C 13 56.7 0.05 . 1 . . . . 91 E CA . 15296 1 1029 . 1 1 92 92 GLU CB C 13 28.99 0.05 . 1 . . . . 91 E CB . 15296 1 1030 . 1 1 92 92 GLU CG C 13 35.84 0.05 . 1 . . . . 91 E CG . 15296 1 1031 . 1 1 93 93 ASN H H 1 7.91 0.02 . 1 . . . . 92 N H . 15296 1 1032 . 1 1 93 93 ASN HA H 1 4.67 0.02 . 1 . . . . 92 N HA . 15296 1 1033 . 1 1 93 93 ASN HB2 H 1 2.7 0.02 . 2 . . . . 92 N HB2 . 15296 1 1034 . 1 1 93 93 ASN HB3 H 1 2.45 0.02 . 2 . . . . 92 N HB3 . 15296 1 1035 . 1 1 93 93 ASN C C 13 173.73 0.05 . 1 . . . . 92 N C . 15296 1 1036 . 1 1 93 93 ASN CA C 13 53.08 0.05 . 1 . . . . 92 N CA . 15296 1 1037 . 1 1 93 93 ASN CB C 13 39.78 0.05 . 1 . . . . 92 N CB . 15296 1 1038 . 1 1 93 93 ASN N N 15 119.34 0.05 . 1 . . . . 92 N N . 15296 1 1039 . 1 1 94 94 SER H H 1 7.67 0.05 . 1 . . . . 93 S H . 15296 1 1040 . 1 1 94 94 SER HA H 1 4.17 0.02 . 1 . . . . 93 S HA . 15296 1 1041 . 1 1 94 94 SER HB2 H 1 3.85 0.02 . 1 . . . . 93 S HB . 15296 1 1042 . 1 1 94 94 SER HB3 H 1 3.85 0.02 . 1 . . . . 93 S HB . 15296 1 1043 . 1 1 94 94 SER CA C 13 59.87 0.05 . 1 . . . . 93 S CA . 15296 1 1044 . 1 1 94 94 SER CB C 13 64.56 0.05 . 1 . . . . 93 S CB . 15296 1 1045 . 1 1 94 94 SER N N 15 121.89 0.05 . 1 . . . . 93 S N . 15296 1 stop_ save_