data_15801 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15801 _Entry.Title ; ArsR DNA Binding Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-11 _Entry.Accession_date 2008-06-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shobhana Gupta . S. . 15801 2 Timothy Cover . L. . 15801 3 Andrzej Krezel . M. . 15801 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15801 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Vanderbilt University' . 15801 . . 'Department of Veterens Affairs' . 15801 1 . 'Vanderbilt University School of Medicine' . 15801 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'acid resistance' . 15801 'Helicobacter pylori' . 15801 'Response regulator' . 15801 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15801 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 15801 '15N chemical shifts' 100 15801 '1H chemical shifts' 671 15801 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-05-27 2008-06-11 update BMRB 'update entity/assembly name' 15801 2 . . 2009-03-23 2008-06-11 update BMRB 'complete entry citation' 15801 1 . . 2009-02-09 2008-06-11 original author 'original release' 15801 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K4J 'BMRB Entry Tracking System' 15801 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15801 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19117956 _Citation.Full_citation . _Citation.Title 'Structural analysis of the DNA-binding domain of the Helicobacter pylori response regulator ArsR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 284 _Citation.Journal_issue 10 _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 6536 _Citation.Page_last 6545 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shobhana Gupta . S. . 15801 1 2 Brendan Borin . N. . 15801 1 3 Timothy Cover . L. . 15801 1 4 Andrzej Krezel . M. . 15801 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15801 _Assembly.ID 1 _Assembly.Name ArsR _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ArsR 1 $entity A . yes native no no . . . 15801 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15801 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ArsR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGSEEVSEPGD ANIFRVDKDSREVYMHEKKL DLTRAEYEILSLLISKKGYV FSRESIAIESESINPESSNK SIDVIIGRLRSKIEKNPKQP QYIISVRGIGYKLEY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '11,G ... 115,Y' _Entity.Polymer_author_seq_details 'Residues 1-12 in author's numbering are an added His tag.' _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'DNA binding domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13278 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K4J . "Arsr Dna Binding Domain" . . . . . 99.13 115 100.00 100.00 1.17e-73 . . . . 15801 1 2 no DBJ BAJ54770 . "response regulator [Helicobacter pylori F16]" . . . . . 92.17 225 98.11 98.11 1.03e-63 . . . . 15801 1 3 no DBJ BAJ57228 . "response regulator [Helicobacter pylori F30]" . . . . . 92.17 225 98.11 98.11 1.03e-63 . . . . 15801 1 4 no DBJ BAJ57755 . "response regulator [Helicobacter pylori F32]" . . . . . 92.17 225 98.11 98.11 1.03e-63 . . . . 15801 1 5 no DBJ BAM96080 . "response regulator [Helicobacter pylori OK113]" . . . . . 89.57 225 100.00 100.00 4.85e-63 . . . . 15801 1 6 no DBJ BAO97793 . "transcriptional regulator [Helicobacter pylori NY40]" . . . . . 92.17 225 98.11 98.11 9.12e-64 . . . . 15801 1 7 no EMBL CAX28715 . "Transcriptional regulator [Helicobacter pylori B38]" . . . . . 92.17 225 98.11 98.11 1.03e-63 . . . . 15801 1 8 no EMBL CBI66957 . "two-component system, OmpR family, response regulator [Helicobacter pylori B8]" . . . . . 92.17 225 98.11 98.11 9.63e-64 . . . . 15801 1 9 no GB AAD05721 . "putative TRANSCRIPTIONAL REGULATOR [Helicobacter pylori J99]" . . . . . 92.17 225 98.11 98.11 1.26e-63 . . . . 15801 1 10 no GB AAD07234 . "response regulator (ompR) [Helicobacter pylori 26695]" . . . . . 92.17 225 98.11 98.11 1.03e-63 . . . . 15801 1 11 no GB ABF84229 . "response regulator [Helicobacter pylori HPAG1]" . . . . . 92.17 225 98.11 98.11 9.22e-64 . . . . 15801 1 12 no GB ACD47627 . "response regulator (ompR) [Helicobacter pylori Shi470]" . . . . . 92.17 225 97.17 97.17 6.03e-63 . . . . 15801 1 13 no GB ACI26919 . "response regulator [Helicobacter pylori G27]" . . . . . 92.17 225 97.17 97.17 4.21e-63 . . . . 15801 1 14 no REF NP_206965 . "response regulator OmpR [Helicobacter pylori 26695]" . . . . . 92.17 225 98.11 98.11 1.03e-63 . . . . 15801 1 15 no REF WP_000573695 . "DNA-binding response regulator [Helicobacter pylori]" . . . . . 92.17 225 98.11 98.11 1.10e-63 . . . . 15801 1 16 no REF WP_000573696 . "DNA-binding response regulator [Helicobacter pylori]" . . . . . 92.17 225 98.11 98.11 1.26e-63 . . . . 15801 1 17 no REF WP_000573697 . "DNA-binding response regulator [Helicobacter pylori]" . . . . . 92.17 225 98.11 98.11 9.95e-64 . . . . 15801 1 18 no REF WP_000573698 . "DNA-binding response regulator [Helicobacter pylori]" . . . . . 92.17 225 97.17 97.17 7.01e-63 . . . . 15801 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 -11 MET . 15801 1 2 -10 ARG . 15801 1 3 -9 GLY . 15801 1 4 -8 SER . 15801 1 5 -7 HIS . 15801 1 6 -6 HIS . 15801 1 7 -5 HIS . 15801 1 8 -4 HIS . 15801 1 9 -3 HIS . 15801 1 10 -2 HIS . 15801 1 11 -1 GLY . 15801 1 12 0 SER . 15801 1 13 1 GLU . 15801 1 14 2 GLU . 15801 1 15 3 VAL . 15801 1 16 4 SER . 15801 1 17 5 GLU . 15801 1 18 6 PRO . 15801 1 19 7 GLY . 15801 1 20 8 ASP . 15801 1 21 9 ALA . 15801 1 22 10 ASN . 15801 1 23 11 ILE . 15801 1 24 12 PHE . 15801 1 25 13 ARG . 15801 1 26 14 VAL . 15801 1 27 15 ASP . 15801 1 28 16 LYS . 15801 1 29 17 ASP . 15801 1 30 18 SER . 15801 1 31 19 ARG . 15801 1 32 20 GLU . 15801 1 33 21 VAL . 15801 1 34 22 TYR . 15801 1 35 23 MET . 15801 1 36 24 HIS . 15801 1 37 25 GLU . 15801 1 38 26 LYS . 15801 1 39 27 LYS . 15801 1 40 28 LEU . 15801 1 41 29 ASP . 15801 1 42 30 LEU . 15801 1 43 31 THR . 15801 1 44 32 ARG . 15801 1 45 33 ALA . 15801 1 46 34 GLU . 15801 1 47 35 TYR . 15801 1 48 36 GLU . 15801 1 49 37 ILE . 15801 1 50 38 LEU . 15801 1 51 39 SER . 15801 1 52 40 LEU . 15801 1 53 41 LEU . 15801 1 54 42 ILE . 15801 1 55 43 SER . 15801 1 56 44 LYS . 15801 1 57 45 LYS . 15801 1 58 46 GLY . 15801 1 59 47 TYR . 15801 1 60 48 VAL . 15801 1 61 49 PHE . 15801 1 62 50 SER . 15801 1 63 51 ARG . 15801 1 64 52 GLU . 15801 1 65 53 SER . 15801 1 66 54 ILE . 15801 1 67 55 ALA . 15801 1 68 56 ILE . 15801 1 69 57 GLU . 15801 1 70 58 SER . 15801 1 71 59 GLU . 15801 1 72 60 SER . 15801 1 73 61 ILE . 15801 1 74 62 ASN . 15801 1 75 63 PRO . 15801 1 76 64 GLU . 15801 1 77 65 SER . 15801 1 78 66 SER . 15801 1 79 67 ASN . 15801 1 80 68 LYS . 15801 1 81 69 SER . 15801 1 82 70 ILE . 15801 1 83 71 ASP . 15801 1 84 72 VAL . 15801 1 85 73 ILE . 15801 1 86 74 ILE . 15801 1 87 75 GLY . 15801 1 88 76 ARG . 15801 1 89 77 LEU . 15801 1 90 78 ARG . 15801 1 91 79 SER . 15801 1 92 80 LYS . 15801 1 93 81 ILE . 15801 1 94 82 GLU . 15801 1 95 83 LYS . 15801 1 96 84 ASN . 15801 1 97 85 PRO . 15801 1 98 86 LYS . 15801 1 99 87 GLN . 15801 1 100 88 PRO . 15801 1 101 89 GLN . 15801 1 102 90 TYR . 15801 1 103 91 ILE . 15801 1 104 92 ILE . 15801 1 105 93 SER . 15801 1 106 94 VAL . 15801 1 107 95 ARG . 15801 1 108 96 GLY . 15801 1 109 97 ILE . 15801 1 110 98 GLY . 15801 1 111 99 TYR . 15801 1 112 100 LYS . 15801 1 113 101 LEU . 15801 1 114 102 GLU . 15801 1 115 103 TYR . 15801 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 15801 1 . ARG 2 2 15801 1 . GLY 3 3 15801 1 . SER 4 4 15801 1 . HIS 5 5 15801 1 . HIS 6 6 15801 1 . HIS 7 7 15801 1 . HIS 8 8 15801 1 . HIS 9 9 15801 1 . HIS 10 10 15801 1 . GLY 11 11 15801 1 . SER 12 12 15801 1 . GLU 13 13 15801 1 . GLU 14 14 15801 1 . VAL 15 15 15801 1 . SER 16 16 15801 1 . GLU 17 17 15801 1 . PRO 18 18 15801 1 . GLY 19 19 15801 1 . ASP 20 20 15801 1 . ALA 21 21 15801 1 . ASN 22 22 15801 1 . ILE 23 23 15801 1 . PHE 24 24 15801 1 . ARG 25 25 15801 1 . VAL 26 26 15801 1 . ASP 27 27 15801 1 . LYS 28 28 15801 1 . ASP 29 29 15801 1 . SER 30 30 15801 1 . ARG 31 31 15801 1 . GLU 32 32 15801 1 . VAL 33 33 15801 1 . TYR 34 34 15801 1 . MET 35 35 15801 1 . HIS 36 36 15801 1 . GLU 37 37 15801 1 . LYS 38 38 15801 1 . LYS 39 39 15801 1 . LEU 40 40 15801 1 . ASP 41 41 15801 1 . LEU 42 42 15801 1 . THR 43 43 15801 1 . ARG 44 44 15801 1 . ALA 45 45 15801 1 . GLU 46 46 15801 1 . TYR 47 47 15801 1 . GLU 48 48 15801 1 . ILE 49 49 15801 1 . LEU 50 50 15801 1 . SER 51 51 15801 1 . LEU 52 52 15801 1 . LEU 53 53 15801 1 . ILE 54 54 15801 1 . SER 55 55 15801 1 . LYS 56 56 15801 1 . LYS 57 57 15801 1 . GLY 58 58 15801 1 . TYR 59 59 15801 1 . VAL 60 60 15801 1 . PHE 61 61 15801 1 . SER 62 62 15801 1 . ARG 63 63 15801 1 . GLU 64 64 15801 1 . SER 65 65 15801 1 . ILE 66 66 15801 1 . ALA 67 67 15801 1 . ILE 68 68 15801 1 . GLU 69 69 15801 1 . SER 70 70 15801 1 . GLU 71 71 15801 1 . SER 72 72 15801 1 . ILE 73 73 15801 1 . ASN 74 74 15801 1 . PRO 75 75 15801 1 . GLU 76 76 15801 1 . SER 77 77 15801 1 . SER 78 78 15801 1 . ASN 79 79 15801 1 . LYS 80 80 15801 1 . SER 81 81 15801 1 . ILE 82 82 15801 1 . ASP 83 83 15801 1 . VAL 84 84 15801 1 . ILE 85 85 15801 1 . ILE 86 86 15801 1 . GLY 87 87 15801 1 . ARG 88 88 15801 1 . LEU 89 89 15801 1 . ARG 90 90 15801 1 . SER 91 91 15801 1 . LYS 92 92 15801 1 . ILE 93 93 15801 1 . GLU 94 94 15801 1 . LYS 95 95 15801 1 . ASN 96 96 15801 1 . PRO 97 97 15801 1 . LYS 98 98 15801 1 . GLN 99 99 15801 1 . PRO 100 100 15801 1 . GLN 101 101 15801 1 . TYR 102 102 15801 1 . ILE 103 103 15801 1 . ILE 104 104 15801 1 . SER 105 105 15801 1 . VAL 106 106 15801 1 . ARG 107 107 15801 1 . GLY 108 108 15801 1 . ILE 109 109 15801 1 . GLY 110 110 15801 1 . TYR 111 111 15801 1 . LYS 112 112 15801 1 . LEU 113 113 15801 1 . GLU 114 114 15801 1 . TYR 115 115 15801 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15801 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 210 organism . 'Helicobacter pylori' 'Helicobacter pylori' . . Bacteria . Helicobacter pylori J99 . . . . . . . . . . . . . . . 'ArsR, JHP0152' . . . . 15801 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 15801 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-BNK . . . . . . 15801 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15801 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 15801 1 2 NaCl . . . . . . . 0.5 . . M . . . . 15801 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 15801 _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' 0.56 . M 15801 1 pH 7.6 . pH 15801 1 pressure 1 . atm 15801 1 temperature 298 . K 15801 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15801 _Software.ID 1 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 15801 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15801 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15801 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15801 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15801 2 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 15801 _Software.ID 3 _Software.Name CSI _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wishart, DS and Sykes, BD' . . 15801 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15801 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15801 _Software.ID 4 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15801 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure visualization' 15801 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15801 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version 3.5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15801 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15801 5 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 15801 _Software.ID 6 _Software.Name Procheck _Software.Version 3.5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . 15801 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15801 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15801 _Software.ID 7 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15801 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15801 7 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15801 _Software.ID 8 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15801 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15801 8 'peak picking' 15801 8 processing 15801 8 stop_ save_ save_InsightII _Software.Sf_category software _Software.Sf_framecode InsightII _Software.Entry_ID 15801 _Software.ID 9 _Software.Name InsightII _Software.Version v2005.03 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15801 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15801 9 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 15801 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15801 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 cryoprobe . . 15801 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 15801 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15801 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15801 1 3 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15801 1 4 '3D HCC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15801 1 5 '3D HHC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15801 1 6 '3D H(CC)(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15801 1 7 '3D HCC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15801 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15801 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15801 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15801 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 15801 _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 water protons . . . . ppm 4.7 internal indirect 0.2514580 . . . . . . . . . 15801 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 15801 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.1013406 . . . . . . . . . 15801 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 15801 _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' . . . 15801 1 2 '3D CBCA(CO)NH' . . . 15801 1 3 '3D CBCANH' . . . 15801 1 4 '3D HCC-TOCSY' . . . 15801 1 5 '3D HHC-TOCSY' . . . 15801 1 6 '3D H(CC)(CO)NH' . . . 15801 1 7 '3D HCC(CO)NH' . . . 15801 1 8 '3D HBHA(CO)NH' . . . 15801 1 9 '3D 1H-15N NOESY' . . . 15801 1 10 '3D 1H-13C NOESY' . . . 15801 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 8 $SPARKY . . 15801 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 11 11 GLY HA2 H 1 3.870 0.000 . . . . . . -1 GLY QA . 15801 1 2 . 1 1 11 11 GLY HA3 H 1 3.870 0.000 . . . . . . -1 GLY QA . 15801 1 3 . 1 1 11 11 GLY CA C 13 45.215 0.000 . . . . . . -1 GLY CA . 15801 1 4 . 1 1 12 12 SER H H 1 8.210 0.006 . . . . . . 0 SER H . 15801 1 5 . 1 1 12 12 SER HA H 1 4.380 0.033 . . . . . . 0 SER HA . 15801 1 6 . 1 1 12 12 SER HB2 H 1 3.791 0.017 . . . . . . 0 SER QB . 15801 1 7 . 1 1 12 12 SER HB3 H 1 3.791 0.017 . . . . . . 0 SER QB . 15801 1 8 . 1 1 12 12 SER CA C 13 58.400 0.000 . . . . . . 0 SER CA . 15801 1 9 . 1 1 12 12 SER CB C 13 63.361 0.000 . . . . . . 0 SER CB . 15801 1 10 . 1 1 12 12 SER N N 15 116.611 0.045 . . . . . . 0 SER N . 15801 1 11 . 1 1 13 13 GLU H H 1 8.468 0.015 . . . . . . 1 GLU H . 15801 1 12 . 1 1 13 13 GLU HA H 1 4.221 0.030 . . . . . . 1 GLU HA . 15801 1 13 . 1 1 13 13 GLU HB2 H 1 1.986 0.000 . . . . . . 1 GLU HB2 . 15801 1 14 . 1 1 13 13 GLU HB3 H 1 1.880 0.010 . . . . . . 1 GLU HB3 . 15801 1 15 . 1 1 13 13 GLU HG2 H 1 2.144 0.000 . . . . . . 1 GLU QG . 15801 1 16 . 1 1 13 13 GLU HG3 H 1 2.144 0.000 . . . . . . 1 GLU QG . 15801 1 17 . 1 1 13 13 GLU CA C 13 56.662 0.000 . . . . . . 1 GLU CA . 15801 1 18 . 1 1 13 13 GLU CB C 13 29.577 0.000 . . . . . . 1 GLU CB . 15801 1 19 . 1 1 13 13 GLU CG C 13 36.081 0.000 . . . . . . 1 GLU CG . 15801 1 20 . 1 1 13 13 GLU N N 15 123.120 0.070 . . . . . . 1 GLU N . 15801 1 21 . 1 1 14 14 GLU H H 1 8.258 0.007 . . . . . . 2 GLU H . 15801 1 22 . 1 1 14 14 GLU HA H 1 4.207 0.018 . . . . . . 2 GLU HA . 15801 1 23 . 1 1 14 14 GLU HB2 H 1 1.858 0.029 . . . . . . 2 GLU QB . 15801 1 24 . 1 1 14 14 GLU HB3 H 1 1.858 0.029 . . . . . . 2 GLU QB . 15801 1 25 . 1 1 14 14 GLU HG2 H 1 2.033 0.090 . . . . . . 2 GLU QG . 15801 1 26 . 1 1 14 14 GLU HG3 H 1 2.033 0.090 . . . . . . 2 GLU QG . 15801 1 27 . 1 1 14 14 GLU CA C 13 56.302 0.000 . . . . . . 2 GLU CA . 15801 1 28 . 1 1 14 14 GLU CB C 13 29.946 0.000 . . . . . . 2 GLU CB . 15801 1 29 . 1 1 14 14 GLU CG C 13 36.178 0.000 . . . . . . 2 GLU CG . 15801 1 30 . 1 1 14 14 GLU N N 15 122.496 0.059 . . . . . . 2 GLU N . 15801 1 31 . 1 1 15 15 VAL H H 1 8.102 0.009 . . . . . . 3 VAL H . 15801 1 32 . 1 1 15 15 VAL HA H 1 4.090 0.019 . . . . . . 3 VAL HA . 15801 1 33 . 1 1 15 15 VAL HB H 1 1.998 0.026 . . . . . . 3 VAL HB . 15801 1 34 . 1 1 15 15 VAL HG11 H 1 0.828 0.029 . . . . . . 3 VAL QQG . 15801 1 35 . 1 1 15 15 VAL HG12 H 1 0.828 0.029 . . . . . . 3 VAL QQG . 15801 1 36 . 1 1 15 15 VAL HG13 H 1 0.828 0.029 . . . . . . 3 VAL QQG . 15801 1 37 . 1 1 15 15 VAL HG21 H 1 0.828 0.029 . . . . . . 3 VAL QQG . 15801 1 38 . 1 1 15 15 VAL HG22 H 1 0.828 0.029 . . . . . . 3 VAL QQG . 15801 1 39 . 1 1 15 15 VAL HG23 H 1 0.828 0.029 . . . . . . 3 VAL QQG . 15801 1 40 . 1 1 15 15 VAL CA C 13 61.749 0.143 . . . . . . 3 VAL CA . 15801 1 41 . 1 1 15 15 VAL CB C 13 32.842 0.072 . . . . . . 3 VAL CB . 15801 1 42 . 1 1 15 15 VAL CG1 C 13 21.012 0.000 . . . . . . 3 VAL CG1 . 15801 1 43 . 1 1 15 15 VAL CG2 C 13 20.210 0.000 . . . . . . 3 VAL CG2 . 15801 1 44 . 1 1 15 15 VAL N N 15 122.208 0.086 . . . . . . 3 VAL N . 15801 1 45 . 1 1 16 16 SER H H 1 8.312 0.008 . . . . . . 4 SER H . 15801 1 46 . 1 1 16 16 SER HA H 1 4.397 0.016 . . . . . . 4 SER HA . 15801 1 47 . 1 1 16 16 SER HB2 H 1 3.734 0.013 . . . . . . 4 SER QB . 15801 1 48 . 1 1 16 16 SER HB3 H 1 3.734 0.013 . . . . . . 4 SER QB . 15801 1 49 . 1 1 16 16 SER CA C 13 57.972 0.000 . . . . . . 4 SER CA . 15801 1 50 . 1 1 16 16 SER CB C 13 64.016 0.000 . . . . . . 4 SER CB . 15801 1 51 . 1 1 16 16 SER N N 15 120.922 0.057 . . . . . . 4 SER N . 15801 1 52 . 1 1 17 17 GLU H H 1 8.361 0.011 . . . . . . 5 GLU H . 15801 1 53 . 1 1 17 17 GLU N N 15 124.830 0.043 . . . . . . 5 GLU N . 15801 1 54 . 1 1 18 18 PRO HA H 1 4.317 0.028 . . . . . . 6 PRO HA . 15801 1 55 . 1 1 18 18 PRO HB2 H 1 2.211 0.025 . . . . . . 6 PRO HB2 . 15801 1 56 . 1 1 18 18 PRO HB3 H 1 1.886 0.038 . . . . . . 6 PRO HB3 . 15801 1 57 . 1 1 18 18 PRO HD2 H 1 3.763 0.000 . . . . . . 6 PRO HD2 . 15801 1 58 . 1 1 18 18 PRO HD3 H 1 3.686 0.000 . . . . . . 6 PRO HD3 . 15801 1 59 . 1 1 18 18 PRO HG2 H 1 1.958 0.050 . . . . . . 6 PRO QG . 15801 1 60 . 1 1 18 18 PRO HG3 H 1 1.958 0.050 . . . . . . 6 PRO QG . 15801 1 61 . 1 1 18 18 PRO CA C 13 63.378 0.058 . . . . . . 6 PRO CA . 15801 1 62 . 1 1 18 18 PRO CB C 13 32.041 0.172 . . . . . . 6 PRO CB . 15801 1 63 . 1 1 18 18 PRO CD C 13 50.722 0.000 . . . . . . 6 PRO CD . 15801 1 64 . 1 1 18 18 PRO CG C 13 27.216 0.010 . . . . . . 6 PRO CG . 15801 1 65 . 1 1 19 19 GLY H H 1 8.431 0.010 . . . . . . 7 GLY H . 15801 1 66 . 1 1 19 19 GLY HA2 H 1 3.877 0.014 . . . . . . 7 GLY QA . 15801 1 67 . 1 1 19 19 GLY HA3 H 1 3.877 0.014 . . . . . . 7 GLY QA . 15801 1 68 . 1 1 19 19 GLY CA C 13 45.122 0.030 . . . . . . 7 GLY CA . 15801 1 69 . 1 1 19 19 GLY N N 15 109.821 0.048 . . . . . . 7 GLY N . 15801 1 70 . 1 1 20 20 ASP H H 1 8.143 0.019 . . . . . . 8 ASP H . 15801 1 71 . 1 1 20 20 ASP HA H 1 4.528 0.014 . . . . . . 8 ASP HA . 15801 1 72 . 1 1 20 20 ASP HB2 H 1 2.670 0.006 . . . . . . 8 ASP HB2 . 15801 1 73 . 1 1 20 20 ASP HB3 H 1 2.582 0.006 . . . . . . 8 ASP HB3 . 15801 1 74 . 1 1 20 20 ASP CA C 13 54.126 0.060 . . . . . . 8 ASP CA . 15801 1 75 . 1 1 20 20 ASP CB C 13 41.024 0.158 . . . . . . 8 ASP CB . 15801 1 76 . 1 1 20 20 ASP N N 15 121.382 0.051 . . . . . . 8 ASP N . 15801 1 77 . 1 1 21 21 ALA H H 1 8.192 0.020 . . . . . . 9 ALA H . 15801 1 78 . 1 1 21 21 ALA HA H 1 4.269 0.011 . . . . . . 9 ALA HA . 15801 1 79 . 1 1 21 21 ALA HB1 H 1 1.333 0.011 . . . . . . 9 ALA QB . 15801 1 80 . 1 1 21 21 ALA HB2 H 1 1.333 0.011 . . . . . . 9 ALA QB . 15801 1 81 . 1 1 21 21 ALA HB3 H 1 1.333 0.011 . . . . . . 9 ALA QB . 15801 1 82 . 1 1 21 21 ALA CA C 13 52.401 0.030 . . . . . . 9 ALA CA . 15801 1 83 . 1 1 21 21 ALA CB C 13 19.136 0.075 . . . . . . 9 ALA CB . 15801 1 84 . 1 1 21 21 ALA N N 15 124.783 0.030 . . . . . . 9 ALA N . 15801 1 85 . 1 1 22 22 ASN H H 1 8.405 0.007 . . . . . . 10 ASN H . 15801 1 86 . 1 1 22 22 ASN HA H 1 4.698 0.019 . . . . . . 10 ASN HA . 15801 1 87 . 1 1 22 22 ASN HB2 H 1 2.682 0.016 . . . . . . 10 ASN QB . 15801 1 88 . 1 1 22 22 ASN HB3 H 1 2.682 0.016 . . . . . . 10 ASN QB . 15801 1 89 . 1 1 22 22 ASN CA C 13 53.001 0.000 . . . . . . 10 ASN CA . 15801 1 90 . 1 1 22 22 ASN CB C 13 38.518 0.223 . . . . . . 10 ASN CB . 15801 1 91 . 1 1 22 22 ASN N N 15 119.015 0.044 . . . . . . 10 ASN N . 15801 1 92 . 1 1 23 23 ILE H H 1 7.668 0.028 . . . . . . 11 ILE H . 15801 1 93 . 1 1 23 23 ILE HA H 1 3.314 0.031 . . . . . . 11 ILE HA . 15801 1 94 . 1 1 23 23 ILE HB H 1 1.061 0.030 . . . . . . 11 ILE HB . 15801 1 95 . 1 1 23 23 ILE HD11 H 1 0.544 0.004 . . . . . . 11 ILE QD1 . 15801 1 96 . 1 1 23 23 ILE HD12 H 1 0.544 0.004 . . . . . . 11 ILE QD1 . 15801 1 97 . 1 1 23 23 ILE HD13 H 1 0.544 0.004 . . . . . . 11 ILE QD1 . 15801 1 98 . 1 1 23 23 ILE HG12 H 1 1.926 0.028 . . . . . . 11 ILE HG12 . 15801 1 99 . 1 1 23 23 ILE HG13 H 1 0.643 0.012 . . . . . . 11 ILE HG13 . 15801 1 100 . 1 1 23 23 ILE HG21 H 1 -0.110 0.004 . . . . . . 11 ILE QG2 . 15801 1 101 . 1 1 23 23 ILE HG22 H 1 -0.110 0.004 . . . . . . 11 ILE QG2 . 15801 1 102 . 1 1 23 23 ILE HG23 H 1 -0.110 0.004 . . . . . . 11 ILE QG2 . 15801 1 103 . 1 1 23 23 ILE CA C 13 64.717 0.246 . . . . . . 11 ILE CA . 15801 1 104 . 1 1 23 23 ILE CB C 13 37.976 0.326 . . . . . . 11 ILE CB . 15801 1 105 . 1 1 23 23 ILE CD1 C 13 13.506 0.026 . . . . . . 11 ILE CD1 . 15801 1 106 . 1 1 23 23 ILE CG1 C 13 27.526 0.001 . . . . . . 11 ILE CG1 . 15801 1 107 . 1 1 23 23 ILE CG2 C 13 16.583 0.105 . . . . . . 11 ILE CG2 . 15801 1 108 . 1 1 23 23 ILE N N 15 120.520 0.043 . . . . . . 11 ILE N . 15801 1 109 . 1 1 24 24 PHE H H 1 6.992 0.019 . . . . . . 12 PHE H . 15801 1 110 . 1 1 24 24 PHE HA H 1 5.364 0.007 . . . . . . 12 PHE HA . 15801 1 111 . 1 1 24 24 PHE HB2 H 1 2.525 0.011 . . . . . . 12 PHE HB2 . 15801 1 112 . 1 1 24 24 PHE HB3 H 1 2.283 0.033 . . . . . . 12 PHE HB3 . 15801 1 113 . 1 1 24 24 PHE HD1 H 1 6.516 0.002 . . . . . . 12 PHE HD1 . 15801 1 114 . 1 1 24 24 PHE HD2 H 1 6.255 0.011 . . . . . . 12 PHE HD2 . 15801 1 115 . 1 1 24 24 PHE CA C 13 56.233 0.046 . . . . . . 12 PHE CA . 15801 1 116 . 1 1 24 24 PHE CB C 13 42.553 0.251 . . . . . . 12 PHE CB . 15801 1 117 . 1 1 24 24 PHE N N 15 114.881 0.053 . . . . . . 12 PHE N . 15801 1 118 . 1 1 25 25 ARG H H 1 8.675 0.007 . . . . . . 13 ARG H . 15801 1 119 . 1 1 25 25 ARG HA H 1 4.519 0.011 . . . . . . 13 ARG HA . 15801 1 120 . 1 1 25 25 ARG HB2 H 1 1.581 0.023 . . . . . . 13 ARG QB . 15801 1 121 . 1 1 25 25 ARG HB3 H 1 1.581 0.023 . . . . . . 13 ARG QB . 15801 1 122 . 1 1 25 25 ARG HD2 H 1 3.063 0.000 . . . . . . 13 ARG QD . 15801 1 123 . 1 1 25 25 ARG HD3 H 1 3.063 0.000 . . . . . . 13 ARG QD . 15801 1 124 . 1 1 25 25 ARG HG2 H 1 1.320 0.015 . . . . . . 13 ARG QG . 15801 1 125 . 1 1 25 25 ARG HG3 H 1 1.320 0.015 . . . . . . 13 ARG QG . 15801 1 126 . 1 1 25 25 ARG CA C 13 55.673 0.000 . . . . . . 13 ARG CA . 15801 1 127 . 1 1 25 25 ARG CB C 13 33.748 0.012 . . . . . . 13 ARG CB . 15801 1 128 . 1 1 25 25 ARG CD C 13 42.934 0.000 . . . . . . 13 ARG CD . 15801 1 129 . 1 1 25 25 ARG CG C 13 27.283 0.000 . . . . . . 13 ARG CG . 15801 1 130 . 1 1 25 25 ARG N N 15 121.698 0.074 . . . . . . 13 ARG N . 15801 1 131 . 1 1 26 26 VAL H H 1 8.942 0.024 . . . . . . 14 VAL H . 15801 1 132 . 1 1 26 26 VAL HA H 1 4.546 0.021 . . . . . . 14 VAL HA . 15801 1 133 . 1 1 26 26 VAL HB H 1 1.917 0.016 . . . . . . 14 VAL HB . 15801 1 134 . 1 1 26 26 VAL HG11 H 1 0.853 0.023 . . . . . . 14 VAL QG1 . 15801 1 135 . 1 1 26 26 VAL HG12 H 1 0.853 0.023 . . . . . . 14 VAL QG1 . 15801 1 136 . 1 1 26 26 VAL HG13 H 1 0.853 0.023 . . . . . . 14 VAL QG1 . 15801 1 137 . 1 1 26 26 VAL HG21 H 1 0.804 0.022 . . . . . . 14 VAL QG2 . 15801 1 138 . 1 1 26 26 VAL HG22 H 1 0.804 0.022 . . . . . . 14 VAL QG2 . 15801 1 139 . 1 1 26 26 VAL HG23 H 1 0.804 0.022 . . . . . . 14 VAL QG2 . 15801 1 140 . 1 1 26 26 VAL CA C 13 61.371 0.088 . . . . . . 14 VAL CA . 15801 1 141 . 1 1 26 26 VAL CB C 13 33.672 0.105 . . . . . . 14 VAL CB . 15801 1 142 . 1 1 26 26 VAL CG1 C 13 21.373 0.103 . . . . . . 14 VAL CG1 . 15801 1 143 . 1 1 26 26 VAL CG2 C 13 22.430 0.155 . . . . . . 14 VAL CG2 . 15801 1 144 . 1 1 26 26 VAL N N 15 126.915 0.052 . . . . . . 14 VAL N . 15801 1 145 . 1 1 27 27 ASP H H 1 9.309 0.007 . . . . . . 15 ASP H . 15801 1 146 . 1 1 27 27 ASP HA H 1 4.902 0.035 . . . . . . 15 ASP HA . 15801 1 147 . 1 1 27 27 ASP HB2 H 1 3.154 0.015 . . . . . . 15 ASP HB2 . 15801 1 148 . 1 1 27 27 ASP HB3 H 1 2.392 0.011 . . . . . . 15 ASP HB3 . 15801 1 149 . 1 1 27 27 ASP CA C 13 52.287 0.152 . . . . . . 15 ASP CA . 15801 1 150 . 1 1 27 27 ASP CB C 13 41.474 0.106 . . . . . . 15 ASP CB . 15801 1 151 . 1 1 27 27 ASP N N 15 129.332 0.046 . . . . . . 15 ASP N . 15801 1 152 . 1 1 28 28 LYS H H 1 8.702 0.017 . . . . . . 16 LYS H . 15801 1 153 . 1 1 28 28 LYS HA H 1 4.189 0.014 . . . . . . 16 LYS HA . 15801 1 154 . 1 1 28 28 LYS HB2 H 1 1.758 0.016 . . . . . . 16 LYS QB . 15801 1 155 . 1 1 28 28 LYS HB3 H 1 1.758 0.016 . . . . . . 16 LYS QB . 15801 1 156 . 1 1 28 28 LYS HG2 H 1 1.435 0.016 . . . . . . 16 LYS QG . 15801 1 157 . 1 1 28 28 LYS HG3 H 1 1.435 0.016 . . . . . . 16 LYS QG . 15801 1 158 . 1 1 28 28 LYS CA C 13 58.176 0.049 . . . . . . 16 LYS CA . 15801 1 159 . 1 1 28 28 LYS CB C 13 32.273 0.100 . . . . . . 16 LYS CB . 15801 1 160 . 1 1 28 28 LYS CD C 13 28.930 0.000 . . . . . . 16 LYS CD . 15801 1 161 . 1 1 28 28 LYS CE C 13 42.150 0.000 . . . . . . 16 LYS CE . 15801 1 162 . 1 1 28 28 LYS CG C 13 25.141 0.090 . . . . . . 16 LYS CG . 15801 1 163 . 1 1 28 28 LYS N N 15 124.815 0.106 . . . . . . 16 LYS N . 15801 1 164 . 1 1 29 29 ASP H H 1 8.216 0.008 . . . . . . 17 ASP H . 15801 1 165 . 1 1 29 29 ASP HA H 1 4.414 0.009 . . . . . . 17 ASP HA . 15801 1 166 . 1 1 29 29 ASP HB2 H 1 2.707 0.002 . . . . . . 17 ASP HB2 . 15801 1 167 . 1 1 29 29 ASP HB3 H 1 2.628 0.023 . . . . . . 17 ASP HB3 . 15801 1 168 . 1 1 29 29 ASP CA C 13 56.749 0.140 . . . . . . 17 ASP CA . 15801 1 169 . 1 1 29 29 ASP CB C 13 40.752 0.113 . . . . . . 17 ASP CB . 15801 1 170 . 1 1 29 29 ASP N N 15 119.695 0.033 . . . . . . 17 ASP N . 15801 1 171 . 1 1 30 30 SER H H 1 7.625 0.007 . . . . . . 18 SER H . 15801 1 172 . 1 1 30 30 SER HA H 1 4.211 0.017 . . . . . . 18 SER HA . 15801 1 173 . 1 1 30 30 SER HB2 H 1 3.621 0.005 . . . . . . 18 SER HB2 . 15801 1 174 . 1 1 30 30 SER HB3 H 1 3.507 0.015 . . . . . . 18 SER HB3 . 15801 1 175 . 1 1 30 30 SER CA C 13 58.201 0.045 . . . . . . 18 SER CA . 15801 1 176 . 1 1 30 30 SER CB C 13 63.409 0.074 . . . . . . 18 SER CB . 15801 1 177 . 1 1 30 30 SER N N 15 113.982 0.069 . . . . . . 18 SER N . 15801 1 178 . 1 1 31 31 ARG H H 1 7.646 0.007 . . . . . . 19 ARG H . 15801 1 179 . 1 1 31 31 ARG HA H 1 3.315 0.009 . . . . . . 19 ARG HA . 15801 1 180 . 1 1 31 31 ARG HB2 H 1 1.567 0.021 . . . . . . 19 ARG HB2 . 15801 1 181 . 1 1 31 31 ARG HB3 H 1 0.341 0.017 . . . . . . 19 ARG HB3 . 15801 1 182 . 1 1 31 31 ARG HD2 H 1 2.951 0.000 . . . . . . 19 ARG HD2 . 15801 1 183 . 1 1 31 31 ARG HD3 H 1 2.869 0.006 . . . . . . 19 ARG HD3 . 15801 1 184 . 1 1 31 31 ARG HG2 H 1 1.077 0.013 . . . . . . 19 ARG QG . 15801 1 185 . 1 1 31 31 ARG HG3 H 1 1.077 0.013 . . . . . . 19 ARG QG . 15801 1 186 . 1 1 31 31 ARG CA C 13 56.950 0.050 . . . . . . 19 ARG CA . 15801 1 187 . 1 1 31 31 ARG CB C 13 26.235 0.000 . . . . . . 19 ARG CB . 15801 1 188 . 1 1 31 31 ARG CD C 13 43.319 0.234 . . . . . . 19 ARG CD . 15801 1 189 . 1 1 31 31 ARG CG C 13 27.381 0.109 . . . . . . 19 ARG CG . 15801 1 190 . 1 1 31 31 ARG N N 15 119.776 0.068 . . . . . . 19 ARG N . 15801 1 191 . 1 1 32 32 GLU H H 1 7.726 0.006 . . . . . . 20 GLU H . 15801 1 192 . 1 1 32 32 GLU HA H 1 4.552 0.016 . . . . . . 20 GLU HA . 15801 1 193 . 1 1 32 32 GLU HB2 H 1 1.694 0.038 . . . . . . 20 GLU HB2 . 15801 1 194 . 1 1 32 32 GLU HB3 H 1 1.557 0.014 . . . . . . 20 GLU HB3 . 15801 1 195 . 1 1 32 32 GLU HG2 H 1 1.924 0.015 . . . . . . 20 GLU QG . 15801 1 196 . 1 1 32 32 GLU HG3 H 1 1.924 0.015 . . . . . . 20 GLU QG . 15801 1 197 . 1 1 32 32 GLU CA C 13 54.082 0.122 . . . . . . 20 GLU CA . 15801 1 198 . 1 1 32 32 GLU CB C 13 34.808 0.125 . . . . . . 20 GLU CB . 15801 1 199 . 1 1 32 32 GLU CG C 13 36.183 0.027 . . . . . . 20 GLU CG . 15801 1 200 . 1 1 32 32 GLU N N 15 117.413 0.049 . . . . . . 20 GLU N . 15801 1 201 . 1 1 33 33 VAL H H 1 9.500 0.015 . . . . . . 21 VAL H . 15801 1 202 . 1 1 33 33 VAL HA H 1 4.725 0.028 . . . . . . 21 VAL HA . 15801 1 203 . 1 1 33 33 VAL HB H 1 1.711 0.020 . . . . . . 21 VAL HB . 15801 1 204 . 1 1 33 33 VAL HG21 H 1 0.749 0.019 . . . . . . 21 VAL QG2 . 15801 1 205 . 1 1 33 33 VAL HG22 H 1 0.749 0.019 . . . . . . 21 VAL QG2 . 15801 1 206 . 1 1 33 33 VAL HG23 H 1 0.749 0.019 . . . . . . 21 VAL QG2 . 15801 1 207 . 1 1 33 33 VAL CA C 13 61.102 0.090 . . . . . . 21 VAL CA . 15801 1 208 . 1 1 33 33 VAL CB C 13 34.090 0.208 . . . . . . 21 VAL CB . 15801 1 209 . 1 1 33 33 VAL CG2 C 13 22.059 0.097 . . . . . . 21 VAL CG2 . 15801 1 210 . 1 1 33 33 VAL N N 15 122.023 0.049 . . . . . . 21 VAL N . 15801 1 211 . 1 1 34 34 TYR H H 1 9.128 0.016 . . . . . . 22 TYR H . 15801 1 212 . 1 1 34 34 TYR HA H 1 4.772 0.023 . . . . . . 22 TYR HA . 15801 1 213 . 1 1 34 34 TYR HB2 H 1 2.742 0.007 . . . . . . 22 TYR HB2 . 15801 1 214 . 1 1 34 34 TYR HB3 H 1 2.180 0.012 . . . . . . 22 TYR HB3 . 15801 1 215 . 1 1 34 34 TYR HD1 H 1 6.715 0.024 . . . . . . 22 TYR HD1 . 15801 1 216 . 1 1 34 34 TYR HD2 H 1 6.464 0.015 . . . . . . 22 TYR HD2 . 15801 1 217 . 1 1 34 34 TYR CA C 13 56.074 0.129 . . . . . . 22 TYR CA . 15801 1 218 . 1 1 34 34 TYR CB C 13 41.032 0.059 . . . . . . 22 TYR CB . 15801 1 219 . 1 1 34 34 TYR N N 15 125.523 0.041 . . . . . . 22 TYR N . 15801 1 220 . 1 1 35 35 MET H H 1 8.849 0.025 . . . . . . 23 MET H . 15801 1 221 . 1 1 35 35 MET HA H 1 4.833 0.019 . . . . . . 23 MET HA . 15801 1 222 . 1 1 35 35 MET HB2 H 1 1.720 0.019 . . . . . . 23 MET HB2 . 15801 1 223 . 1 1 35 35 MET HB3 H 1 1.303 0.008 . . . . . . 23 MET HB3 . 15801 1 224 . 1 1 35 35 MET HE1 H 1 0.971 0.022 . . . . . . 23 MET QE . 15801 1 225 . 1 1 35 35 MET HE2 H 1 0.971 0.022 . . . . . . 23 MET QE . 15801 1 226 . 1 1 35 35 MET HE3 H 1 0.971 0.022 . . . . . . 23 MET QE . 15801 1 227 . 1 1 35 35 MET HG2 H 1 1.661 0.025 . . . . . . 23 MET QG . 15801 1 228 . 1 1 35 35 MET HG3 H 1 1.661 0.025 . . . . . . 23 MET QG . 15801 1 229 . 1 1 35 35 MET CA C 13 53.692 0.045 . . . . . . 23 MET CA . 15801 1 230 . 1 1 35 35 MET CB C 13 34.747 0.193 . . . . . . 23 MET CB . 15801 1 231 . 1 1 35 35 MET CG C 13 32.109 0.152 . . . . . . 23 MET CG . 15801 1 232 . 1 1 35 35 MET N N 15 122.926 0.032 . . . . . . 23 MET N . 15801 1 233 . 1 1 36 36 HIS H H 1 9.142 0.010 . . . . . . 24 HIS H . 15801 1 234 . 1 1 36 36 HIS HA H 1 4.254 0.005 . . . . . . 24 HIS HA . 15801 1 235 . 1 1 36 36 HIS HB2 H 1 3.187 0.013 . . . . . . 24 HIS HB2 . 15801 1 236 . 1 1 36 36 HIS HB3 H 1 3.097 0.007 . . . . . . 24 HIS HB3 . 15801 1 237 . 1 1 36 36 HIS CA C 13 57.890 0.199 . . . . . . 24 HIS CA . 15801 1 238 . 1 1 36 36 HIS CB C 13 27.589 0.070 . . . . . . 24 HIS CB . 15801 1 239 . 1 1 36 36 HIS N N 15 127.289 0.057 . . . . . . 24 HIS N . 15801 1 240 . 1 1 37 37 GLU H H 1 9.079 0.010 . . . . . . 25 GLU H . 15801 1 241 . 1 1 37 37 GLU HA H 1 3.623 0.013 . . . . . . 25 GLU HA . 15801 1 242 . 1 1 37 37 GLU HB2 H 1 2.216 0.018 . . . . . . 25 GLU HB2 . 15801 1 243 . 1 1 37 37 GLU HB3 H 1 2.104 0.002 . . . . . . 25 GLU HB3 . 15801 1 244 . 1 1 37 37 GLU HG2 H 1 1.454 0.000 . . . . . . 25 GLU QG . 15801 1 245 . 1 1 37 37 GLU HG3 H 1 1.454 0.000 . . . . . . 25 GLU QG . 15801 1 246 . 1 1 37 37 GLU CA C 13 57.665 0.076 . . . . . . 25 GLU CA . 15801 1 247 . 1 1 37 37 GLU CB C 13 26.904 0.129 . . . . . . 25 GLU CB . 15801 1 248 . 1 1 37 37 GLU CG C 13 35.954 0.000 . . . . . . 25 GLU CG . 15801 1 249 . 1 1 37 37 GLU N N 15 109.754 0.062 . . . . . . 25 GLU N . 15801 1 250 . 1 1 38 38 LYS H H 1 7.775 0.009 . . . . . . 26 LYS H . 15801 1 251 . 1 1 38 38 LYS HA H 1 4.604 0.023 . . . . . . 26 LYS HA . 15801 1 252 . 1 1 38 38 LYS HB2 H 1 1.766 0.018 . . . . . . 26 LYS QB . 15801 1 253 . 1 1 38 38 LYS HB3 H 1 1.766 0.018 . . . . . . 26 LYS QB . 15801 1 254 . 1 1 38 38 LYS HE2 H 1 2.946 0.048 . . . . . . 26 LYS QE . 15801 1 255 . 1 1 38 38 LYS HE3 H 1 2.946 0.048 . . . . . . 26 LYS QE . 15801 1 256 . 1 1 38 38 LYS HG2 H 1 1.322 0.034 . . . . . . 26 LYS QG . 15801 1 257 . 1 1 38 38 LYS HG3 H 1 1.322 0.034 . . . . . . 26 LYS QG . 15801 1 258 . 1 1 38 38 LYS CA C 13 54.727 0.000 . . . . . . 26 LYS CA . 15801 1 259 . 1 1 38 38 LYS CB C 13 33.803 0.072 . . . . . . 26 LYS CB . 15801 1 260 . 1 1 38 38 LYS CD C 13 28.659 0.000 . . . . . . 26 LYS CD . 15801 1 261 . 1 1 38 38 LYS CE C 13 42.194 0.049 . . . . . . 26 LYS CE . 15801 1 262 . 1 1 38 38 LYS CG C 13 24.731 0.212 . . . . . . 26 LYS CG . 15801 1 263 . 1 1 38 38 LYS N N 15 121.785 0.042 . . . . . . 26 LYS N . 15801 1 264 . 1 1 39 39 LYS H H 1 8.669 0.012 . . . . . . 27 LYS H . 15801 1 265 . 1 1 39 39 LYS HA H 1 3.255 0.014 . . . . . . 27 LYS HA . 15801 1 266 . 1 1 39 39 LYS HB2 H 1 1.373 0.003 . . . . . . 27 LYS HB2 . 15801 1 267 . 1 1 39 39 LYS HB3 H 1 1.321 0.010 . . . . . . 27 LYS HB3 . 15801 1 268 . 1 1 39 39 LYS HD2 H 1 0.959 0.004 . . . . . . 27 LYS QD . 15801 1 269 . 1 1 39 39 LYS HD3 H 1 0.959 0.004 . . . . . . 27 LYS QD . 15801 1 270 . 1 1 39 39 LYS HE2 H 1 2.782 0.008 . . . . . . 27 LYS QE . 15801 1 271 . 1 1 39 39 LYS HE3 H 1 2.782 0.008 . . . . . . 27 LYS QE . 15801 1 272 . 1 1 39 39 LYS HG2 H 1 0.620 0.015 . . . . . . 27 LYS QG . 15801 1 273 . 1 1 39 39 LYS HG3 H 1 0.620 0.015 . . . . . . 27 LYS QG . 15801 1 274 . 1 1 39 39 LYS CA C 13 57.235 0.059 . . . . . . 27 LYS CA . 15801 1 275 . 1 1 39 39 LYS CB C 13 32.072 0.075 . . . . . . 27 LYS CB . 15801 1 276 . 1 1 39 39 LYS CD C 13 28.734 0.000 . . . . . . 27 LYS CD . 15801 1 277 . 1 1 39 39 LYS CE C 13 41.779 0.131 . . . . . . 27 LYS CE . 15801 1 278 . 1 1 39 39 LYS CG C 13 24.067 0.107 . . . . . . 27 LYS CG . 15801 1 279 . 1 1 39 39 LYS N N 15 127.914 0.086 . . . . . . 27 LYS N . 15801 1 280 . 1 1 40 40 LEU H H 1 8.559 0.039 . . . . . . 28 LEU H . 15801 1 281 . 1 1 40 40 LEU HA H 1 4.258 0.023 . . . . . . 28 LEU HA . 15801 1 282 . 1 1 40 40 LEU HB2 H 1 1.643 0.017 . . . . . . 28 LEU HB2 . 15801 1 283 . 1 1 40 40 LEU HB3 H 1 0.886 0.020 . . . . . . 28 LEU HB3 . 15801 1 284 . 1 1 40 40 LEU HD11 H 1 0.721 0.033 . . . . . . 28 LEU QD1 . 15801 1 285 . 1 1 40 40 LEU HD12 H 1 0.721 0.033 . . . . . . 28 LEU QD1 . 15801 1 286 . 1 1 40 40 LEU HD13 H 1 0.721 0.033 . . . . . . 28 LEU QD1 . 15801 1 287 . 1 1 40 40 LEU HD21 H 1 0.622 0.019 . . . . . . 28 LEU QD2 . 15801 1 288 . 1 1 40 40 LEU HD22 H 1 0.622 0.019 . . . . . . 28 LEU QD2 . 15801 1 289 . 1 1 40 40 LEU HD23 H 1 0.622 0.019 . . . . . . 28 LEU QD2 . 15801 1 290 . 1 1 40 40 LEU HG H 1 1.499 0.027 . . . . . . 28 LEU HG . 15801 1 291 . 1 1 40 40 LEU CA C 13 53.961 0.190 . . . . . . 28 LEU CA . 15801 1 292 . 1 1 40 40 LEU CB C 13 42.936 0.090 . . . . . . 28 LEU CB . 15801 1 293 . 1 1 40 40 LEU CD1 C 13 22.579 0.129 . . . . . . 28 LEU CD1 . 15801 1 294 . 1 1 40 40 LEU CD2 C 13 21.413 0.061 . . . . . . 28 LEU CD2 . 15801 1 295 . 1 1 40 40 LEU CG C 13 26.456 0.025 . . . . . . 28 LEU CG . 15801 1 296 . 1 1 40 40 LEU N N 15 128.578 0.055 . . . . . . 28 LEU N . 15801 1 297 . 1 1 41 41 ASP H H 1 8.715 0.018 . . . . . . 29 ASP H . 15801 1 298 . 1 1 41 41 ASP HA H 1 4.650 0.030 . . . . . . 29 ASP HA . 15801 1 299 . 1 1 41 41 ASP HB2 H 1 2.695 0.017 . . . . . . 29 ASP HB2 . 15801 1 300 . 1 1 41 41 ASP HB3 H 1 2.429 0.025 . . . . . . 29 ASP HB3 . 15801 1 301 . 1 1 41 41 ASP CA C 13 53.172 0.078 . . . . . . 29 ASP CA . 15801 1 302 . 1 1 41 41 ASP CB C 13 39.978 0.065 . . . . . . 29 ASP CB . 15801 1 303 . 1 1 41 41 ASP N N 15 125.079 0.092 . . . . . . 29 ASP N . 15801 1 304 . 1 1 42 42 LEU H H 1 7.529 0.038 . . . . . . 30 LEU H . 15801 1 305 . 1 1 42 42 LEU HA H 1 4.832 0.022 . . . . . . 30 LEU HA . 15801 1 306 . 1 1 42 42 LEU HB2 H 1 1.633 0.029 . . . . . . 30 LEU QB . 15801 1 307 . 1 1 42 42 LEU HB3 H 1 1.633 0.029 . . . . . . 30 LEU QB . 15801 1 308 . 1 1 42 42 LEU HD11 H 1 0.787 0.000 . . . . . . 30 LEU QD1 . 15801 1 309 . 1 1 42 42 LEU HD12 H 1 0.787 0.000 . . . . . . 30 LEU QD1 . 15801 1 310 . 1 1 42 42 LEU HD13 H 1 0.787 0.000 . . . . . . 30 LEU QD1 . 15801 1 311 . 1 1 42 42 LEU HD21 H 1 0.607 0.018 . . . . . . 30 LEU QD2 . 15801 1 312 . 1 1 42 42 LEU HD22 H 1 0.607 0.018 . . . . . . 30 LEU QD2 . 15801 1 313 . 1 1 42 42 LEU HD23 H 1 0.607 0.018 . . . . . . 30 LEU QD2 . 15801 1 314 . 1 1 42 42 LEU HG H 1 1.426 0.038 . . . . . . 30 LEU HG . 15801 1 315 . 1 1 42 42 LEU CA C 13 53.117 0.196 . . . . . . 30 LEU CA . 15801 1 316 . 1 1 42 42 LEU CB C 13 44.118 0.219 . . . . . . 30 LEU CB . 15801 1 317 . 1 1 42 42 LEU CD1 C 13 25.790 0.000 . . . . . . 30 LEU CD1 . 15801 1 318 . 1 1 42 42 LEU CD2 C 13 22.476 0.046 . . . . . . 30 LEU CD2 . 15801 1 319 . 1 1 42 42 LEU CG C 13 26.886 0.000 . . . . . . 30 LEU CG . 15801 1 320 . 1 1 42 42 LEU N N 15 123.620 0.024 . . . . . . 30 LEU N . 15801 1 321 . 1 1 43 43 THR H H 1 8.648 0.007 . . . . . . 31 THR H . 15801 1 322 . 1 1 43 43 THR HA H 1 4.581 0.006 . . . . . . 31 THR HA . 15801 1 323 . 1 1 43 43 THR HB H 1 4.394 0.012 . . . . . . 31 THR HB . 15801 1 324 . 1 1 43 43 THR HG21 H 1 1.161 0.005 . . . . . . 31 THR QG2 . 15801 1 325 . 1 1 43 43 THR HG22 H 1 1.161 0.005 . . . . . . 31 THR QG2 . 15801 1 326 . 1 1 43 43 THR HG23 H 1 1.161 0.005 . . . . . . 31 THR QG2 . 15801 1 327 . 1 1 43 43 THR CA C 13 60.847 0.000 . . . . . . 31 THR CA . 15801 1 328 . 1 1 43 43 THR CB C 13 70.197 0.000 . . . . . . 31 THR CB . 15801 1 329 . 1 1 43 43 THR CG2 C 13 21.631 0.111 . . . . . . 31 THR CG2 . 15801 1 330 . 1 1 43 43 THR N N 15 115.334 0.050 . . . . . . 31 THR N . 15801 1 331 . 1 1 44 44 ARG H H 1 8.666 0.008 . . . . . . 32 ARG H . 15801 1 332 . 1 1 44 44 ARG HA H 1 4.058 0.013 . . . . . . 32 ARG HA . 15801 1 333 . 1 1 44 44 ARG HB2 H 1 1.816 0.022 . . . . . . 32 ARG QB . 15801 1 334 . 1 1 44 44 ARG HB3 H 1 1.816 0.022 . . . . . . 32 ARG QB . 15801 1 335 . 1 1 44 44 ARG HD2 H 1 3.132 0.019 . . . . . . 32 ARG QD . 15801 1 336 . 1 1 44 44 ARG HD3 H 1 3.132 0.019 . . . . . . 32 ARG QD . 15801 1 337 . 1 1 44 44 ARG HG2 H 1 1.607 0.017 . . . . . . 32 ARG QG . 15801 1 338 . 1 1 44 44 ARG HG3 H 1 1.607 0.017 . . . . . . 32 ARG QG . 15801 1 339 . 1 1 44 44 ARG CA C 13 59.766 0.046 . . . . . . 32 ARG CA . 15801 1 340 . 1 1 44 44 ARG CB C 13 28.924 0.000 . . . . . . 32 ARG CB . 15801 1 341 . 1 1 44 44 ARG CG C 13 26.861 0.111 . . . . . . 32 ARG CG . 15801 1 342 . 1 1 44 44 ARG N N 15 122.006 0.069 . . . . . . 32 ARG N . 15801 1 343 . 1 1 45 45 ALA H H 1 8.421 0.012 . . . . . . 33 ALA H . 15801 1 344 . 1 1 45 45 ALA HA H 1 3.929 0.018 . . . . . . 33 ALA HA . 15801 1 345 . 1 1 45 45 ALA HB1 H 1 1.229 0.012 . . . . . . 33 ALA QB . 15801 1 346 . 1 1 45 45 ALA HB2 H 1 1.229 0.012 . . . . . . 33 ALA QB . 15801 1 347 . 1 1 45 45 ALA HB3 H 1 1.229 0.012 . . . . . . 33 ALA QB . 15801 1 348 . 1 1 45 45 ALA CA C 13 54.932 0.128 . . . . . . 33 ALA CA . 15801 1 349 . 1 1 45 45 ALA CB C 13 18.413 0.057 . . . . . . 33 ALA CB . 15801 1 350 . 1 1 45 45 ALA N N 15 120.220 0.091 . . . . . . 33 ALA N . 15801 1 351 . 1 1 46 46 GLU H H 1 7.086 0.009 . . . . . . 34 GLU H . 15801 1 352 . 1 1 46 46 GLU HA H 1 3.422 0.011 . . . . . . 34 GLU HA . 15801 1 353 . 1 1 46 46 GLU HB2 H 1 2.177 0.042 . . . . . . 34 GLU HB2 . 15801 1 354 . 1 1 46 46 GLU HB3 H 1 1.772 0.024 . . . . . . 34 GLU HB3 . 15801 1 355 . 1 1 46 46 GLU HG2 H 1 1.939 0.011 . . . . . . 34 GLU QG . 15801 1 356 . 1 1 46 46 GLU HG3 H 1 1.939 0.011 . . . . . . 34 GLU QG . 15801 1 357 . 1 1 46 46 GLU CA C 13 58.963 0.048 . . . . . . 34 GLU CA . 15801 1 358 . 1 1 46 46 GLU CB C 13 30.702 0.000 . . . . . . 34 GLU CB . 15801 1 359 . 1 1 46 46 GLU CG C 13 37.616 0.068 . . . . . . 34 GLU CG . 15801 1 360 . 1 1 46 46 GLU N N 15 115.901 0.057 . . . . . . 34 GLU N . 15801 1 361 . 1 1 47 47 TYR H H 1 8.620 0.008 . . . . . . 35 TYR H . 15801 1 362 . 1 1 47 47 TYR HA H 1 3.620 0.009 . . . . . . 35 TYR HA . 15801 1 363 . 1 1 47 47 TYR HB2 H 1 3.146 0.007 . . . . . . 35 TYR HB2 . 15801 1 364 . 1 1 47 47 TYR HB3 H 1 2.937 0.019 . . . . . . 35 TYR HB3 . 15801 1 365 . 1 1 47 47 TYR HD1 H 1 6.787 0.008 . . . . . . 35 TYR HD1 . 15801 1 366 . 1 1 47 47 TYR HD2 H 1 6.526 0.003 . . . . . . 35 TYR HD2 . 15801 1 367 . 1 1 47 47 TYR CA C 13 62.042 0.040 . . . . . . 35 TYR CA . 15801 1 368 . 1 1 47 47 TYR CB C 13 37.538 0.164 . . . . . . 35 TYR CB . 15801 1 369 . 1 1 47 47 TYR N N 15 119.540 0.058 . . . . . . 35 TYR N . 15801 1 370 . 1 1 48 48 GLU H H 1 8.569 0.015 . . . . . . 36 GLU H . 15801 1 371 . 1 1 48 48 GLU HA H 1 3.284 0.012 . . . . . . 36 GLU HA . 15801 1 372 . 1 1 48 48 GLU HB2 H 1 2.083 0.023 . . . . . . 36 GLU HB2 . 15801 1 373 . 1 1 48 48 GLU HB3 H 1 1.878 0.011 . . . . . . 36 GLU HB3 . 15801 1 374 . 1 1 48 48 GLU HG2 H 1 2.396 0.056 . . . . . . 36 GLU QG . 15801 1 375 . 1 1 48 48 GLU HG3 H 1 2.396 0.056 . . . . . . 36 GLU QG . 15801 1 376 . 1 1 48 48 GLU CA C 13 59.929 0.000 . . . . . . 36 GLU CA . 15801 1 377 . 1 1 48 48 GLU CB C 13 28.609 0.173 . . . . . . 36 GLU CB . 15801 1 378 . 1 1 48 48 GLU CG C 13 36.927 0.048 . . . . . . 36 GLU CG . 15801 1 379 . 1 1 48 48 GLU N N 15 123.225 0.065 . . . . . . 36 GLU N . 15801 1 380 . 1 1 49 49 ILE H H 1 7.611 0.020 . . . . . . 37 ILE H . 15801 1 381 . 1 1 49 49 ILE HA H 1 3.287 0.015 . . . . . . 37 ILE HA . 15801 1 382 . 1 1 49 49 ILE HB H 1 1.434 0.026 . . . . . . 37 ILE HB . 15801 1 383 . 1 1 49 49 ILE HD11 H 1 0.360 0.019 . . . . . . 37 ILE QD1 . 15801 1 384 . 1 1 49 49 ILE HD12 H 1 0.360 0.019 . . . . . . 37 ILE QD1 . 15801 1 385 . 1 1 49 49 ILE HD13 H 1 0.360 0.019 . . . . . . 37 ILE QD1 . 15801 1 386 . 1 1 49 49 ILE HG12 H 1 0.665 0.012 . . . . . . 37 ILE HG12 . 15801 1 387 . 1 1 49 49 ILE HG13 H 1 0.569 0.018 . . . . . . 37 ILE HG13 . 15801 1 388 . 1 1 49 49 ILE HG21 H 1 0.352 0.013 . . . . . . 37 ILE QG2 . 15801 1 389 . 1 1 49 49 ILE HG22 H 1 0.352 0.013 . . . . . . 37 ILE QG2 . 15801 1 390 . 1 1 49 49 ILE HG23 H 1 0.352 0.013 . . . . . . 37 ILE QG2 . 15801 1 391 . 1 1 49 49 ILE CA C 13 65.429 0.094 . . . . . . 37 ILE CA . 15801 1 392 . 1 1 49 49 ILE CB C 13 37.318 0.176 . . . . . . 37 ILE CB . 15801 1 393 . 1 1 49 49 ILE CD1 C 13 13.392 0.000 . . . . . . 37 ILE CD1 . 15801 1 394 . 1 1 49 49 ILE CG1 C 13 28.326 0.092 . . . . . . 37 ILE CG1 . 15801 1 395 . 1 1 49 49 ILE CG2 C 13 16.271 0.056 . . . . . . 37 ILE CG2 . 15801 1 396 . 1 1 49 49 ILE N N 15 117.901 0.050 . . . . . . 37 ILE N . 15801 1 397 . 1 1 50 50 LEU H H 1 8.349 0.013 . . . . . . 38 LEU H . 15801 1 398 . 1 1 50 50 LEU HA H 1 3.629 0.013 . . . . . . 38 LEU HA . 15801 1 399 . 1 1 50 50 LEU HB2 H 1 1.388 0.017 . . . . . . 38 LEU QB . 15801 1 400 . 1 1 50 50 LEU HB3 H 1 1.388 0.017 . . . . . . 38 LEU QB . 15801 1 401 . 1 1 50 50 LEU HD11 H 1 0.534 0.014 . . . . . . 38 LEU QD1 . 15801 1 402 . 1 1 50 50 LEU HD12 H 1 0.534 0.014 . . . . . . 38 LEU QD1 . 15801 1 403 . 1 1 50 50 LEU HD13 H 1 0.534 0.014 . . . . . . 38 LEU QD1 . 15801 1 404 . 1 1 50 50 LEU HD21 H 1 0.422 0.014 . . . . . . 38 LEU QD2 . 15801 1 405 . 1 1 50 50 LEU HD22 H 1 0.422 0.014 . . . . . . 38 LEU QD2 . 15801 1 406 . 1 1 50 50 LEU HD23 H 1 0.422 0.014 . . . . . . 38 LEU QD2 . 15801 1 407 . 1 1 50 50 LEU HG H 1 1.263 0.044 . . . . . . 38 LEU HG . 15801 1 408 . 1 1 50 50 LEU CA C 13 57.812 0.095 . . . . . . 38 LEU CA . 15801 1 409 . 1 1 50 50 LEU CB C 13 41.049 0.019 . . . . . . 38 LEU CB . 15801 1 410 . 1 1 50 50 LEU CD1 C 13 27.101 0.067 . . . . . . 38 LEU CD1 . 15801 1 411 . 1 1 50 50 LEU CD2 C 13 22.230 0.080 . . . . . . 38 LEU CD2 . 15801 1 412 . 1 1 50 50 LEU CG C 13 26.325 0.000 . . . . . . 38 LEU CG . 15801 1 413 . 1 1 50 50 LEU N N 15 119.804 0.056 . . . . . . 38 LEU N . 15801 1 414 . 1 1 51 51 SER H H 1 8.239 0.008 . . . . . . 39 SER H . 15801 1 415 . 1 1 51 51 SER HA H 1 3.350 0.031 . . . . . . 39 SER HA . 15801 1 416 . 1 1 51 51 SER HB2 H 1 2.936 0.021 . . . . . . 39 SER QB . 15801 1 417 . 1 1 51 51 SER HB3 H 1 2.936 0.021 . . . . . . 39 SER QB . 15801 1 418 . 1 1 51 51 SER CA C 13 61.599 0.099 . . . . . . 39 SER CA . 15801 1 419 . 1 1 51 51 SER CB C 13 63.500 0.192 . . . . . . 39 SER CB . 15801 1 420 . 1 1 51 51 SER N N 15 111.770 0.051 . . . . . . 39 SER N . 15801 1 421 . 1 1 52 52 LEU H H 1 6.821 0.023 . . . . . . 40 LEU H . 15801 1 422 . 1 1 52 52 LEU HA H 1 3.855 0.010 . . . . . . 40 LEU HA . 15801 1 423 . 1 1 52 52 LEU HB2 H 1 1.604 0.014 . . . . . . 40 LEU HB2 . 15801 1 424 . 1 1 52 52 LEU HB3 H 1 1.335 0.013 . . . . . . 40 LEU HB3 . 15801 1 425 . 1 1 52 52 LEU HD11 H 1 0.617 0.016 . . . . . . 40 LEU QD1 . 15801 1 426 . 1 1 52 52 LEU HD12 H 1 0.617 0.016 . . . . . . 40 LEU QD1 . 15801 1 427 . 1 1 52 52 LEU HD13 H 1 0.617 0.016 . . . . . . 40 LEU QD1 . 15801 1 428 . 1 1 52 52 LEU HD21 H 1 0.346 0.019 . . . . . . 40 LEU QD2 . 15801 1 429 . 1 1 52 52 LEU HD22 H 1 0.346 0.019 . . . . . . 40 LEU QD2 . 15801 1 430 . 1 1 52 52 LEU HD23 H 1 0.346 0.019 . . . . . . 40 LEU QD2 . 15801 1 431 . 1 1 52 52 LEU HG H 1 1.100 0.469 . . . . . . 40 LEU HG . 15801 1 432 . 1 1 52 52 LEU CA C 13 57.724 0.097 . . . . . . 40 LEU CA . 15801 1 433 . 1 1 52 52 LEU CB C 13 41.355 0.070 . . . . . . 40 LEU CB . 15801 1 434 . 1 1 52 52 LEU CD1 C 13 22.743 0.067 . . . . . . 40 LEU CD1 . 15801 1 435 . 1 1 52 52 LEU CG C 13 26.545 0.000 . . . . . . 40 LEU CG . 15801 1 436 . 1 1 52 52 LEU N N 15 126.682 0.065 . . . . . . 40 LEU N . 15801 1 437 . 1 1 53 53 LEU H H 1 7.640 0.018 . . . . . . 41 LEU H . 15801 1 438 . 1 1 53 53 LEU HA H 1 3.829 0.011 . . . . . . 41 LEU HA . 15801 1 439 . 1 1 53 53 LEU HB2 H 1 1.551 0.029 . . . . . . 41 LEU QB . 15801 1 440 . 1 1 53 53 LEU HB3 H 1 1.551 0.029 . . . . . . 41 LEU QB . 15801 1 441 . 1 1 53 53 LEU HD11 H 1 0.500 0.038 . . . . . . 41 LEU QD1 . 15801 1 442 . 1 1 53 53 LEU HD12 H 1 0.500 0.038 . . . . . . 41 LEU QD1 . 15801 1 443 . 1 1 53 53 LEU HD13 H 1 0.500 0.038 . . . . . . 41 LEU QD1 . 15801 1 444 . 1 1 53 53 LEU HD21 H 1 0.414 0.029 . . . . . . 41 LEU QD2 . 15801 1 445 . 1 1 53 53 LEU HD22 H 1 0.414 0.029 . . . . . . 41 LEU QD2 . 15801 1 446 . 1 1 53 53 LEU HD23 H 1 0.414 0.029 . . . . . . 41 LEU QD2 . 15801 1 447 . 1 1 53 53 LEU HG H 1 1.511 0.014 . . . . . . 41 LEU HG . 15801 1 448 . 1 1 53 53 LEU CA C 13 58.177 0.112 . . . . . . 41 LEU CA . 15801 1 449 . 1 1 53 53 LEU CB C 13 41.213 0.033 . . . . . . 41 LEU CB . 15801 1 450 . 1 1 53 53 LEU CD1 C 13 22.470 0.087 . . . . . . 41 LEU CD1 . 15801 1 451 . 1 1 53 53 LEU CG C 13 25.001 0.167 . . . . . . 41 LEU CG . 15801 1 452 . 1 1 53 53 LEU N N 15 119.520 0.073 . . . . . . 41 LEU N . 15801 1 453 . 1 1 54 54 ILE H H 1 7.830 0.026 . . . . . . 42 ILE H . 15801 1 454 . 1 1 54 54 ILE HA H 1 3.391 0.016 . . . . . . 42 ILE HA . 15801 1 455 . 1 1 54 54 ILE HB H 1 1.325 0.020 . . . . . . 42 ILE HB . 15801 1 456 . 1 1 54 54 ILE HD11 H 1 0.108 0.014 . . . . . . 42 ILE QD1 . 15801 1 457 . 1 1 54 54 ILE HD12 H 1 0.108 0.014 . . . . . . 42 ILE QD1 . 15801 1 458 . 1 1 54 54 ILE HD13 H 1 0.108 0.014 . . . . . . 42 ILE QD1 . 15801 1 459 . 1 1 54 54 ILE HG12 H 1 0.718 0.032 . . . . . . 42 ILE HG12 . 15801 1 460 . 1 1 54 54 ILE HG13 H 1 0.694 0.028 . . . . . . 42 ILE HG13 . 15801 1 461 . 1 1 54 54 ILE HG21 H 1 0.125 0.045 . . . . . . 42 ILE QG2 . 15801 1 462 . 1 1 54 54 ILE HG22 H 1 0.125 0.045 . . . . . . 42 ILE QG2 . 15801 1 463 . 1 1 54 54 ILE HG23 H 1 0.125 0.045 . . . . . . 42 ILE QG2 . 15801 1 464 . 1 1 54 54 ILE CA C 13 64.366 0.056 . . . . . . 42 ILE CA . 15801 1 465 . 1 1 54 54 ILE CB C 13 38.488 0.097 . . . . . . 42 ILE CB . 15801 1 466 . 1 1 54 54 ILE CD1 C 13 15.878 0.068 . . . . . . 42 ILE CD1 . 15801 1 467 . 1 1 54 54 ILE CG1 C 13 30.371 0.000 . . . . . . 42 ILE CG1 . 15801 1 468 . 1 1 54 54 ILE CG2 C 13 17.229 0.000 . . . . . . 42 ILE CG2 . 15801 1 469 . 1 1 54 54 ILE N N 15 115.741 0.038 . . . . . . 42 ILE N . 15801 1 470 . 1 1 55 55 SER H H 1 7.630 0.009 . . . . . . 43 SER H . 15801 1 471 . 1 1 55 55 SER HA H 1 4.093 0.043 . . . . . . 43 SER HA . 15801 1 472 . 1 1 55 55 SER HB2 H 1 3.895 0.023 . . . . . . 43 SER QB . 15801 1 473 . 1 1 55 55 SER HB3 H 1 3.895 0.023 . . . . . . 43 SER QB . 15801 1 474 . 1 1 55 55 SER CA C 13 60.816 0.241 . . . . . . 43 SER CA . 15801 1 475 . 1 1 55 55 SER CB C 13 63.017 0.098 . . . . . . 43 SER CB . 15801 1 476 . 1 1 55 55 SER N N 15 116.186 0.047 . . . . . . 43 SER N . 15801 1 477 . 1 1 56 56 LYS H H 1 7.000 0.021 . . . . . . 44 LYS H . 15801 1 478 . 1 1 56 56 LYS HA H 1 4.568 0.011 . . . . . . 44 LYS HA . 15801 1 479 . 1 1 56 56 LYS HB2 H 1 1.677 0.029 . . . . . . 44 LYS QB . 15801 1 480 . 1 1 56 56 LYS HB3 H 1 1.677 0.029 . . . . . . 44 LYS QB . 15801 1 481 . 1 1 56 56 LYS HE2 H 1 2.344 0.041 . . . . . . 44 LYS QE . 15801 1 482 . 1 1 56 56 LYS HE3 H 1 2.344 0.041 . . . . . . 44 LYS QE . 15801 1 483 . 1 1 56 56 LYS HG2 H 1 1.166 0.013 . . . . . . 44 LYS QG . 15801 1 484 . 1 1 56 56 LYS HG3 H 1 1.166 0.013 . . . . . . 44 LYS QG . 15801 1 485 . 1 1 56 56 LYS CA C 13 54.524 0.000 . . . . . . 44 LYS CA . 15801 1 486 . 1 1 56 56 LYS CB C 13 33.165 0.000 . . . . . . 44 LYS CB . 15801 1 487 . 1 1 56 56 LYS CD C 13 28.634 0.000 . . . . . . 44 LYS CD . 15801 1 488 . 1 1 56 56 LYS CE C 13 41.798 0.000 . . . . . . 44 LYS CE . 15801 1 489 . 1 1 56 56 LYS CG C 13 24.528 0.080 . . . . . . 44 LYS CG . 15801 1 490 . 1 1 56 56 LYS N N 15 123.867 0.053 . . . . . . 44 LYS N . 15801 1 491 . 1 1 57 57 LYS H H 1 7.687 0.012 . . . . . . 45 LYS H . 15801 1 492 . 1 1 57 57 LYS HA H 1 4.177 0.009 . . . . . . 45 LYS HA . 15801 1 493 . 1 1 57 57 LYS HB2 H 1 1.865 0.011 . . . . . . 45 LYS HB2 . 15801 1 494 . 1 1 57 57 LYS HB3 H 1 1.688 0.023 . . . . . . 45 LYS HB3 . 15801 1 495 . 1 1 57 57 LYS HG2 H 1 1.218 0.018 . . . . . . 45 LYS QG . 15801 1 496 . 1 1 57 57 LYS HG3 H 1 1.218 0.018 . . . . . . 45 LYS QG . 15801 1 497 . 1 1 57 57 LYS CA C 13 58.629 0.127 . . . . . . 45 LYS CA . 15801 1 498 . 1 1 57 57 LYS CB C 13 32.151 0.113 . . . . . . 45 LYS CB . 15801 1 499 . 1 1 57 57 LYS CD C 13 28.963 0.000 . . . . . . 45 LYS CD . 15801 1 500 . 1 1 57 57 LYS CG C 13 24.040 0.141 . . . . . . 45 LYS CG . 15801 1 501 . 1 1 57 57 LYS N N 15 125.374 0.046 . . . . . . 45 LYS N . 15801 1 502 . 1 1 58 58 GLY H H 1 9.071 0.017 . . . . . . 46 GLY H . 15801 1 503 . 1 1 58 58 GLY HA2 H 1 4.203 0.021 . . . . . . 46 GLY HA1 . 15801 1 504 . 1 1 58 58 GLY HA3 H 1 3.465 0.021 . . . . . . 46 GLY HA2 . 15801 1 505 . 1 1 58 58 GLY CA C 13 45.722 0.116 . . . . . . 46 GLY CA . 15801 1 506 . 1 1 58 58 GLY N N 15 116.148 0.055 . . . . . . 46 GLY N . 15801 1 507 . 1 1 59 59 TYR H H 1 8.043 0.009 . . . . . . 47 TYR H . 15801 1 508 . 1 1 59 59 TYR HA H 1 4.205 0.017 . . . . . . 47 TYR HA . 15801 1 509 . 1 1 59 59 TYR HB2 H 1 2.770 0.006 . . . . . . 47 TYR HB2 . 15801 1 510 . 1 1 59 59 TYR HB3 H 1 2.687 0.001 . . . . . . 47 TYR HB3 . 15801 1 511 . 1 1 59 59 TYR HD1 H 1 6.269 0.070 . . . . . . 47 TYR HD1 . 15801 1 512 . 1 1 59 59 TYR HD2 H 1 6.073 0.003 . . . . . . 47 TYR HD2 . 15801 1 513 . 1 1 59 59 TYR CA C 13 57.477 0.045 . . . . . . 47 TYR CA . 15801 1 514 . 1 1 59 59 TYR CB C 13 39.732 0.088 . . . . . . 47 TYR CB . 15801 1 515 . 1 1 59 59 TYR N N 15 123.618 0.047 . . . . . . 47 TYR N . 15801 1 516 . 1 1 60 60 VAL H H 1 7.487 0.018 . . . . . . 48 VAL H . 15801 1 517 . 1 1 60 60 VAL HA H 1 3.789 0.020 . . . . . . 48 VAL HA . 15801 1 518 . 1 1 60 60 VAL HB H 1 1.634 0.018 . . . . . . 48 VAL HB . 15801 1 519 . 1 1 60 60 VAL HG11 H 1 0.714 0.021 . . . . . . 48 VAL QG1 . 15801 1 520 . 1 1 60 60 VAL HG12 H 1 0.714 0.021 . . . . . . 48 VAL QG1 . 15801 1 521 . 1 1 60 60 VAL HG13 H 1 0.714 0.021 . . . . . . 48 VAL QG1 . 15801 1 522 . 1 1 60 60 VAL HG21 H 1 0.416 0.026 . . . . . . 48 VAL QG2 . 15801 1 523 . 1 1 60 60 VAL HG22 H 1 0.416 0.026 . . . . . . 48 VAL QG2 . 15801 1 524 . 1 1 60 60 VAL HG23 H 1 0.416 0.026 . . . . . . 48 VAL QG2 . 15801 1 525 . 1 1 60 60 VAL CA C 13 62.081 0.154 . . . . . . 48 VAL CA . 15801 1 526 . 1 1 60 60 VAL CB C 13 30.686 0.174 . . . . . . 48 VAL CB . 15801 1 527 . 1 1 60 60 VAL CG1 C 13 22.408 0.014 . . . . . . 48 VAL CG1 . 15801 1 528 . 1 1 60 60 VAL CG2 C 13 21.249 0.083 . . . . . . 48 VAL CG2 . 15801 1 529 . 1 1 60 60 VAL N N 15 124.032 0.044 . . . . . . 48 VAL N . 15801 1 530 . 1 1 61 61 PHE H H 1 9.088 0.018 . . . . . . 49 PHE H . 15801 1 531 . 1 1 61 61 PHE HA H 1 4.544 0.010 . . . . . . 49 PHE HA . 15801 1 532 . 1 1 61 61 PHE HB2 H 1 2.851 0.019 . . . . . . 49 PHE QB . 15801 1 533 . 1 1 61 61 PHE HB3 H 1 2.851 0.019 . . . . . . 49 PHE QB . 15801 1 534 . 1 1 61 61 PHE HD1 H 1 7.501 0.048 . . . . . . 49 PHE HD1 . 15801 1 535 . 1 1 61 61 PHE HD2 H 1 7.195 0.046 . . . . . . 49 PHE HD2 . 15801 1 536 . 1 1 61 61 PHE CA C 13 57.551 0.000 . . . . . . 49 PHE CA . 15801 1 537 . 1 1 61 61 PHE CB C 13 40.962 0.096 . . . . . . 49 PHE CB . 15801 1 538 . 1 1 61 61 PHE N N 15 129.195 0.062 . . . . . . 49 PHE N . 15801 1 539 . 1 1 62 62 SER H H 1 8.696 0.008 . . . . . . 50 SER H . 15801 1 540 . 1 1 62 62 SER HA H 1 4.713 0.013 . . . . . . 50 SER HA . 15801 1 541 . 1 1 62 62 SER HB2 H 1 4.437 0.018 . . . . . . 50 SER HB2 . 15801 1 542 . 1 1 62 62 SER HB3 H 1 4.065 0.028 . . . . . . 50 SER HB3 . 15801 1 543 . 1 1 62 62 SER CA C 13 56.733 0.000 . . . . . . 50 SER CA . 15801 1 544 . 1 1 62 62 SER CB C 13 64.449 0.111 . . . . . . 50 SER CB . 15801 1 545 . 1 1 62 62 SER N N 15 119.270 0.042 . . . . . . 50 SER N . 15801 1 546 . 1 1 63 63 ARG H H 1 8.750 0.007 . . . . . . 51 ARG H . 15801 1 547 . 1 1 63 63 ARG HA H 1 3.842 0.020 . . . . . . 51 ARG HA . 15801 1 548 . 1 1 63 63 ARG HB2 H 1 1.777 0.025 . . . . . . 51 ARG QB . 15801 1 549 . 1 1 63 63 ARG HB3 H 1 1.777 0.025 . . . . . . 51 ARG QB . 15801 1 550 . 1 1 63 63 ARG HD2 H 1 3.121 0.018 . . . . . . 51 ARG QD . 15801 1 551 . 1 1 63 63 ARG HD3 H 1 3.121 0.018 . . . . . . 51 ARG QD . 15801 1 552 . 1 1 63 63 ARG HG2 H 1 1.466 0.011 . . . . . . 51 ARG QG . 15801 1 553 . 1 1 63 63 ARG HG3 H 1 1.466 0.011 . . . . . . 51 ARG QG . 15801 1 554 . 1 1 63 63 ARG CA C 13 60.757 0.025 . . . . . . 51 ARG CA . 15801 1 555 . 1 1 63 63 ARG CB C 13 29.540 0.083 . . . . . . 51 ARG CB . 15801 1 556 . 1 1 63 63 ARG CD C 13 43.153 0.079 . . . . . . 51 ARG CD . 15801 1 557 . 1 1 63 63 ARG CG C 13 24.966 0.000 . . . . . . 51 ARG CG . 15801 1 558 . 1 1 63 63 ARG N N 15 121.353 0.036 . . . . . . 51 ARG N . 15801 1 559 . 1 1 64 64 GLU H H 1 8.959 0.008 . . . . . . 52 GLU H . 15801 1 560 . 1 1 64 64 GLU HA H 1 3.952 0.022 . . . . . . 52 GLU HA . 15801 1 561 . 1 1 64 64 GLU HB2 H 1 2.046 0.028 . . . . . . 52 GLU HB2 . 15801 1 562 . 1 1 64 64 GLU HB3 H 1 1.881 0.008 . . . . . . 52 GLU HB3 . 15801 1 563 . 1 1 64 64 GLU HG2 H 1 2.247 0.018 . . . . . . 52 GLU QG . 15801 1 564 . 1 1 64 64 GLU HG3 H 1 2.247 0.018 . . . . . . 52 GLU QG . 15801 1 565 . 1 1 64 64 GLU CA C 13 60.278 0.000 . . . . . . 52 GLU CA . 15801 1 566 . 1 1 64 64 GLU CB C 13 28.451 0.000 . . . . . . 52 GLU CB . 15801 1 567 . 1 1 64 64 GLU CG C 13 36.691 0.129 . . . . . . 52 GLU CG . 15801 1 568 . 1 1 64 64 GLU N N 15 118.672 0.063 . . . . . . 52 GLU N . 15801 1 569 . 1 1 65 65 SER H H 1 8.127 0.009 . . . . . . 53 SER H . 15801 1 570 . 1 1 65 65 SER HA H 1 4.226 0.004 . . . . . . 53 SER HA . 15801 1 571 . 1 1 65 65 SER HB2 H 1 4.065 0.000 . . . . . . 53 SER QB . 15801 1 572 . 1 1 65 65 SER HB3 H 1 4.065 0.000 . . . . . . 53 SER QB . 15801 1 573 . 1 1 65 65 SER CA C 13 61.919 0.000 . . . . . . 53 SER CA . 15801 1 574 . 1 1 65 65 SER CB C 13 63.134 0.000 . . . . . . 53 SER CB . 15801 1 575 . 1 1 65 65 SER N N 15 116.933 0.056 . . . . . . 53 SER N . 15801 1 576 . 1 1 66 66 ILE H H 1 7.891 0.003 . . . . . . 54 ILE H . 15801 1 577 . 1 1 66 66 ILE HA H 1 3.304 0.025 . . . . . . 54 ILE HA . 15801 1 578 . 1 1 66 66 ILE HB H 1 1.866 0.010 . . . . . . 54 ILE HB . 15801 1 579 . 1 1 66 66 ILE HD11 H 1 0.544 0.018 . . . . . . 54 ILE QD1 . 15801 1 580 . 1 1 66 66 ILE HD12 H 1 0.544 0.018 . . . . . . 54 ILE QD1 . 15801 1 581 . 1 1 66 66 ILE HD13 H 1 0.544 0.018 . . . . . . 54 ILE QD1 . 15801 1 582 . 1 1 66 66 ILE HG12 H 1 1.168 0.071 . . . . . . 54 ILE HG12 . 15801 1 583 . 1 1 66 66 ILE HG13 H 1 1.009 0.021 . . . . . . 54 ILE HG13 . 15801 1 584 . 1 1 66 66 ILE HG21 H 1 0.614 0.027 . . . . . . 54 ILE QG2 . 15801 1 585 . 1 1 66 66 ILE HG22 H 1 0.614 0.027 . . . . . . 54 ILE QG2 . 15801 1 586 . 1 1 66 66 ILE HG23 H 1 0.614 0.027 . . . . . . 54 ILE QG2 . 15801 1 587 . 1 1 66 66 ILE CA C 13 64.506 0.279 . . . . . . 54 ILE CA . 15801 1 588 . 1 1 66 66 ILE CD1 C 13 13.491 0.149 . . . . . . 54 ILE CD1 . 15801 1 589 . 1 1 66 66 ILE CG1 C 13 29.208 0.000 . . . . . . 54 ILE CG1 . 15801 1 590 . 1 1 66 66 ILE CG2 C 13 18.504 0.074 . . . . . . 54 ILE CG2 . 15801 1 591 . 1 1 66 66 ILE N N 15 121.823 0.090 . . . . . . 54 ILE N . 15801 1 592 . 1 1 67 67 ALA H H 1 7.887 0.018 . . . . . . 55 ALA H . 15801 1 593 . 1 1 67 67 ALA HA H 1 3.796 0.012 . . . . . . 55 ALA HA . 15801 1 594 . 1 1 67 67 ALA HB1 H 1 1.361 0.009 . . . . . . 55 ALA QB . 15801 1 595 . 1 1 67 67 ALA HB2 H 1 1.361 0.009 . . . . . . 55 ALA QB . 15801 1 596 . 1 1 67 67 ALA HB3 H 1 1.361 0.009 . . . . . . 55 ALA QB . 15801 1 597 . 1 1 67 67 ALA CA C 13 55.013 0.099 . . . . . . 55 ALA CA . 15801 1 598 . 1 1 67 67 ALA CB C 13 18.270 0.078 . . . . . . 55 ALA CB . 15801 1 599 . 1 1 67 67 ALA N N 15 122.245 0.060 . . . . . . 55 ALA N . 15801 1 600 . 1 1 68 68 ILE H H 1 7.912 0.020 . . . . . . 56 ILE H . 15801 1 601 . 1 1 68 68 ILE HA H 1 3.743 0.020 . . . . . . 56 ILE HA . 15801 1 602 . 1 1 68 68 ILE HB H 1 1.852 0.017 . . . . . . 56 ILE HB . 15801 1 603 . 1 1 68 68 ILE HD11 H 1 0.811 0.037 . . . . . . 56 ILE QD1 . 15801 1 604 . 1 1 68 68 ILE HD12 H 1 0.811 0.037 . . . . . . 56 ILE QD1 . 15801 1 605 . 1 1 68 68 ILE HD13 H 1 0.811 0.037 . . . . . . 56 ILE QD1 . 15801 1 606 . 1 1 68 68 ILE HG12 H 1 1.631 0.027 . . . . . . 56 ILE HG12 . 15801 1 607 . 1 1 68 68 ILE HG13 H 1 1.130 0.023 . . . . . . 56 ILE HG13 . 15801 1 608 . 1 1 68 68 ILE HG21 H 1 0.856 0.013 . . . . . . 56 ILE QG2 . 15801 1 609 . 1 1 68 68 ILE HG22 H 1 0.856 0.013 . . . . . . 56 ILE QG2 . 15801 1 610 . 1 1 68 68 ILE HG23 H 1 0.856 0.013 . . . . . . 56 ILE QG2 . 15801 1 611 . 1 1 68 68 ILE CA C 13 63.726 0.111 . . . . . . 56 ILE CA . 15801 1 612 . 1 1 68 68 ILE CB C 13 38.421 0.150 . . . . . . 56 ILE CB . 15801 1 613 . 1 1 68 68 ILE CD1 C 13 13.215 0.075 . . . . . . 56 ILE CD1 . 15801 1 614 . 1 1 68 68 ILE CG1 C 13 29.044 0.114 . . . . . . 56 ILE CG1 . 15801 1 615 . 1 1 68 68 ILE CG2 C 13 17.228 0.098 . . . . . . 56 ILE CG2 . 15801 1 616 . 1 1 68 68 ILE N N 15 117.692 0.045 . . . . . . 56 ILE N . 15801 1 617 . 1 1 69 69 GLU H H 1 7.805 0.010 . . . . . . 57 GLU H . 15801 1 618 . 1 1 69 69 GLU HA H 1 4.140 0.015 . . . . . . 57 GLU HA . 15801 1 619 . 1 1 69 69 GLU HB2 H 1 2.107 0.011 . . . . . . 57 GLU HB2 . 15801 1 620 . 1 1 69 69 GLU HB3 H 1 1.734 0.014 . . . . . . 57 GLU HB3 . 15801 1 621 . 1 1 69 69 GLU HG2 H 1 2.275 0.023 . . . . . . 57 GLU QG . 15801 1 622 . 1 1 69 69 GLU HG3 H 1 2.275 0.023 . . . . . . 57 GLU QG . 15801 1 623 . 1 1 69 69 GLU CA C 13 57.197 0.000 . . . . . . 57 GLU CA . 15801 1 624 . 1 1 69 69 GLU CB C 13 30.675 0.000 . . . . . . 57 GLU CB . 15801 1 625 . 1 1 69 69 GLU CG C 13 35.794 0.092 . . . . . . 57 GLU CG . 15801 1 626 . 1 1 69 69 GLU N N 15 118.830 0.037 . . . . . . 57 GLU N . 15801 1 627 . 1 1 70 70 SER H H 1 7.332 0.011 . . . . . . 58 SER H . 15801 1 628 . 1 1 70 70 SER HA H 1 4.397 0.014 . . . . . . 58 SER HA . 15801 1 629 . 1 1 70 70 SER HB2 H 1 3.816 0.024 . . . . . . 58 SER HB2 . 15801 1 630 . 1 1 70 70 SER HB3 H 1 3.695 0.042 . . . . . . 58 SER HB3 . 15801 1 631 . 1 1 70 70 SER CA C 13 57.906 0.000 . . . . . . 58 SER CA . 15801 1 632 . 1 1 70 70 SER CB C 13 63.489 0.028 . . . . . . 58 SER CB . 15801 1 633 . 1 1 70 70 SER N N 15 115.347 0.049 . . . . . . 58 SER N . 15801 1 634 . 1 1 71 71 GLU H H 1 8.713 0.006 . . . . . . 59 GLU H . 15801 1 635 . 1 1 71 71 GLU HA H 1 3.997 0.033 . . . . . . 59 GLU HA . 15801 1 636 . 1 1 71 71 GLU HB2 H 1 1.978 0.009 . . . . . . 59 GLU QB . 15801 1 637 . 1 1 71 71 GLU HB3 H 1 1.978 0.009 . . . . . . 59 GLU QB . 15801 1 638 . 1 1 71 71 GLU HG2 H 1 2.196 0.005 . . . . . . 59 GLU QG . 15801 1 639 . 1 1 71 71 GLU HG3 H 1 2.196 0.005 . . . . . . 59 GLU QG . 15801 1 640 . 1 1 71 71 GLU CA C 13 58.607 0.000 . . . . . . 59 GLU CA . 15801 1 641 . 1 1 71 71 GLU CB C 13 29.830 0.152 . . . . . . 59 GLU CB . 15801 1 642 . 1 1 71 71 GLU CG C 13 36.154 0.109 . . . . . . 59 GLU CG . 15801 1 643 . 1 1 71 71 GLU N N 15 128.150 0.062 . . . . . . 59 GLU N . 15801 1 644 . 1 1 72 72 SER H H 1 9.799 0.021 . . . . . . 60 SER H . 15801 1 645 . 1 1 72 72 SER HA H 1 4.239 0.009 . . . . . . 60 SER HA . 15801 1 646 . 1 1 72 72 SER HB2 H 1 3.719 0.021 . . . . . . 60 SER QB . 15801 1 647 . 1 1 72 72 SER HB3 H 1 3.719 0.021 . . . . . . 60 SER QB . 15801 1 648 . 1 1 72 72 SER CA C 13 59.810 0.072 . . . . . . 60 SER CA . 15801 1 649 . 1 1 72 72 SER CB C 13 63.024 0.061 . . . . . . 60 SER CB . 15801 1 650 . 1 1 72 72 SER N N 15 116.680 0.056 . . . . . . 60 SER N . 15801 1 651 . 1 1 73 73 ILE H H 1 7.287 0.022 . . . . . . 61 ILE H . 15801 1 652 . 1 1 73 73 ILE HA H 1 4.039 0.015 . . . . . . 61 ILE HA . 15801 1 653 . 1 1 73 73 ILE HB H 1 1.780 0.020 . . . . . . 61 ILE HB . 15801 1 654 . 1 1 73 73 ILE HD11 H 1 0.627 0.019 . . . . . . 61 ILE QD1 . 15801 1 655 . 1 1 73 73 ILE HD12 H 1 0.627 0.019 . . . . . . 61 ILE QD1 . 15801 1 656 . 1 1 73 73 ILE HD13 H 1 0.627 0.019 . . . . . . 61 ILE QD1 . 15801 1 657 . 1 1 73 73 ILE HG12 H 1 1.293 0.022 . . . . . . 61 ILE HG12 . 15801 1 658 . 1 1 73 73 ILE HG13 H 1 0.993 0.022 . . . . . . 61 ILE HG13 . 15801 1 659 . 1 1 73 73 ILE HG21 H 1 0.703 0.016 . . . . . . 61 ILE QG2 . 15801 1 660 . 1 1 73 73 ILE HG22 H 1 0.703 0.016 . . . . . . 61 ILE QG2 . 15801 1 661 . 1 1 73 73 ILE HG23 H 1 0.703 0.016 . . . . . . 61 ILE QG2 . 15801 1 662 . 1 1 73 73 ILE CA C 13 59.647 0.066 . . . . . . 61 ILE CA . 15801 1 663 . 1 1 73 73 ILE CB C 13 38.103 0.217 . . . . . . 61 ILE CB . 15801 1 664 . 1 1 73 73 ILE CD1 C 13 12.556 0.095 . . . . . . 61 ILE CD1 . 15801 1 665 . 1 1 73 73 ILE CG1 C 13 26.920 0.077 . . . . . . 61 ILE CG1 . 15801 1 666 . 1 1 73 73 ILE CG2 C 13 17.070 0.063 . . . . . . 61 ILE CG2 . 15801 1 667 . 1 1 73 73 ILE N N 15 122.183 0.055 . . . . . . 61 ILE N . 15801 1 668 . 1 1 74 74 ASN H H 1 8.473 0.027 . . . . . . 62 ASN H . 15801 1 669 . 1 1 74 74 ASN N N 15 126.509 0.077 . . . . . . 62 ASN N . 15801 1 670 . 1 1 75 75 PRO HA H 1 4.176 0.015 . . . . . . 63 PRO HA . 15801 1 671 . 1 1 75 75 PRO HB2 H 1 2.225 0.011 . . . . . . 63 PRO HB2 . 15801 1 672 . 1 1 75 75 PRO HB3 H 1 1.929 0.011 . . . . . . 63 PRO HB3 . 15801 1 673 . 1 1 75 75 PRO HD2 H 1 3.793 0.040 . . . . . . 63 PRO QD . 15801 1 674 . 1 1 75 75 PRO HD3 H 1 3.793 0.040 . . . . . . 63 PRO QD . 15801 1 675 . 1 1 75 75 PRO HG2 H 1 1.915 0.007 . . . . . . 63 PRO QG . 15801 1 676 . 1 1 75 75 PRO HG3 H 1 1.915 0.007 . . . . . . 63 PRO QG . 15801 1 677 . 1 1 75 75 PRO CA C 13 64.479 0.000 . . . . . . 63 PRO CA . 15801 1 678 . 1 1 75 75 PRO CB C 13 32.123 0.138 . . . . . . 63 PRO CB . 15801 1 679 . 1 1 75 75 PRO CG C 13 27.293 0.012 . . . . . . 63 PRO CG . 15801 1 680 . 1 1 76 76 GLU H H 1 8.277 0.024 . . . . . . 64 GLU H . 15801 1 681 . 1 1 76 76 GLU HA H 1 4.205 0.009 . . . . . . 64 GLU HA . 15801 1 682 . 1 1 76 76 GLU HB2 H 1 2.029 0.008 . . . . . . 64 GLU HB2 . 15801 1 683 . 1 1 76 76 GLU HB3 H 1 1.847 0.018 . . . . . . 64 GLU HB3 . 15801 1 684 . 1 1 76 76 GLU HG2 H 1 2.175 0.003 . . . . . . 64 GLU QG . 15801 1 685 . 1 1 76 76 GLU HG3 H 1 2.175 0.003 . . . . . . 64 GLU QG . 15801 1 686 . 1 1 76 76 GLU CA C 13 56.665 0.120 . . . . . . 64 GLU CA . 15801 1 687 . 1 1 76 76 GLU CB C 13 29.354 0.057 . . . . . . 64 GLU CB . 15801 1 688 . 1 1 76 76 GLU CG C 13 36.232 0.118 . . . . . . 64 GLU CG . 15801 1 689 . 1 1 76 76 GLU N N 15 118.080 0.047 . . . . . . 64 GLU N . 15801 1 690 . 1 1 77 77 SER H H 1 7.892 0.006 . . . . . . 65 SER H . 15801 1 691 . 1 1 77 77 SER HA H 1 4.365 0.031 . . . . . . 65 SER HA . 15801 1 692 . 1 1 77 77 SER HB2 H 1 3.816 0.015 . . . . . . 65 SER QB . 15801 1 693 . 1 1 77 77 SER HB3 H 1 3.816 0.015 . . . . . . 65 SER QB . 15801 1 694 . 1 1 77 77 SER CA C 13 58.579 0.099 . . . . . . 65 SER CA . 15801 1 695 . 1 1 77 77 SER CB C 13 63.660 0.000 . . . . . . 65 SER CB . 15801 1 696 . 1 1 77 77 SER N N 15 116.306 0.046 . . . . . . 65 SER N . 15801 1 697 . 1 1 78 78 SER H H 1 8.179 0.012 . . . . . . 66 SER H . 15801 1 698 . 1 1 78 78 SER HA H 1 4.231 0.015 . . . . . . 66 SER HA . 15801 1 699 . 1 1 78 78 SER HB2 H 1 3.900 0.030 . . . . . . 66 SER QB . 15801 1 700 . 1 1 78 78 SER HB3 H 1 3.900 0.030 . . . . . . 66 SER QB . 15801 1 701 . 1 1 78 78 SER CA C 13 59.129 0.051 . . . . . . 66 SER CA . 15801 1 702 . 1 1 78 78 SER CB C 13 63.541 0.055 . . . . . . 66 SER CB . 15801 1 703 . 1 1 78 78 SER N N 15 118.281 0.062 . . . . . . 66 SER N . 15801 1 704 . 1 1 79 79 ASN H H 1 8.635 0.029 . . . . . . 67 ASN H . 15801 1 705 . 1 1 79 79 ASN HA H 1 4.315 0.028 . . . . . . 67 ASN HA . 15801 1 706 . 1 1 79 79 ASN HB2 H 1 2.746 0.026 . . . . . . 67 ASN QB . 15801 1 707 . 1 1 79 79 ASN HB3 H 1 2.746 0.026 . . . . . . 67 ASN QB . 15801 1 708 . 1 1 79 79 ASN CA C 13 55.699 0.136 . . . . . . 67 ASN CA . 15801 1 709 . 1 1 79 79 ASN CB C 13 37.369 0.146 . . . . . . 67 ASN CB . 15801 1 710 . 1 1 79 79 ASN N N 15 121.705 0.125 . . . . . . 67 ASN N . 15801 1 711 . 1 1 80 80 LYS H H 1 8.003 0.021 . . . . . . 68 LYS H . 15801 1 712 . 1 1 80 80 LYS HA H 1 4.170 0.018 . . . . . . 68 LYS HA . 15801 1 713 . 1 1 80 80 LYS HB2 H 1 1.756 0.021 . . . . . . 68 LYS QB . 15801 1 714 . 1 1 80 80 LYS HB3 H 1 1.756 0.021 . . . . . . 68 LYS QB . 15801 1 715 . 1 1 80 80 LYS HG2 H 1 1.385 0.034 . . . . . . 68 LYS QG . 15801 1 716 . 1 1 80 80 LYS HG3 H 1 1.385 0.034 . . . . . . 68 LYS QG . 15801 1 717 . 1 1 80 80 LYS CA C 13 57.773 0.150 . . . . . . 68 LYS CA . 15801 1 718 . 1 1 80 80 LYS CB C 13 32.438 0.137 . . . . . . 68 LYS CB . 15801 1 719 . 1 1 80 80 LYS CD C 13 28.672 0.000 . . . . . . 68 LYS CD . 15801 1 720 . 1 1 80 80 LYS CE C 13 42.210 0.000 . . . . . . 68 LYS CE . 15801 1 721 . 1 1 80 80 LYS CG C 13 24.750 0.137 . . . . . . 68 LYS CG . 15801 1 722 . 1 1 80 80 LYS N N 15 119.824 0.044 . . . . . . 68 LYS N . 15801 1 723 . 1 1 81 81 SER H H 1 8.014 0.006 . . . . . . 69 SER H . 15801 1 724 . 1 1 81 81 SER HA H 1 4.135 0.026 . . . . . . 69 SER HA . 15801 1 725 . 1 1 81 81 SER HB2 H 1 3.874 0.039 . . . . . . 69 SER QB . 15801 1 726 . 1 1 81 81 SER HB3 H 1 3.874 0.039 . . . . . . 69 SER QB . 15801 1 727 . 1 1 81 81 SER CA C 13 60.698 0.001 . . . . . . 69 SER CA . 15801 1 728 . 1 1 81 81 SER CB C 13 62.927 0.070 . . . . . . 69 SER CB . 15801 1 729 . 1 1 81 81 SER N N 15 115.686 0.044 . . . . . . 69 SER N . 15801 1 730 . 1 1 82 82 ILE H H 1 7.894 0.010 . . . . . . 70 ILE H . 15801 1 731 . 1 1 82 82 ILE HA H 1 3.525 0.013 . . . . . . 70 ILE HA . 15801 1 732 . 1 1 82 82 ILE HB H 1 2.003 0.048 . . . . . . 70 ILE HB . 15801 1 733 . 1 1 82 82 ILE HD11 H 1 0.734 0.044 . . . . . . 70 ILE QD1 . 15801 1 734 . 1 1 82 82 ILE HD12 H 1 0.734 0.044 . . . . . . 70 ILE QD1 . 15801 1 735 . 1 1 82 82 ILE HD13 H 1 0.734 0.044 . . . . . . 70 ILE QD1 . 15801 1 736 . 1 1 82 82 ILE HG12 H 1 1.588 0.025 . . . . . . 70 ILE HG12 . 15801 1 737 . 1 1 82 82 ILE HG13 H 1 1.218 0.016 . . . . . . 70 ILE HG13 . 15801 1 738 . 1 1 82 82 ILE HG21 H 1 0.807 0.012 . . . . . . 70 ILE QG2 . 15801 1 739 . 1 1 82 82 ILE HG22 H 1 0.807 0.012 . . . . . . 70 ILE QG2 . 15801 1 740 . 1 1 82 82 ILE HG23 H 1 0.807 0.012 . . . . . . 70 ILE QG2 . 15801 1 741 . 1 1 82 82 ILE CA C 13 63.819 0.097 . . . . . . 70 ILE CA . 15801 1 742 . 1 1 82 82 ILE CB C 13 36.766 0.182 . . . . . . 70 ILE CB . 15801 1 743 . 1 1 82 82 ILE CD1 C 13 12.695 0.058 . . . . . . 70 ILE CD1 . 15801 1 744 . 1 1 82 82 ILE CG1 C 13 28.654 0.141 . . . . . . 70 ILE CG1 . 15801 1 745 . 1 1 82 82 ILE CG2 C 13 17.549 0.114 . . . . . . 70 ILE CG2 . 15801 1 746 . 1 1 82 82 ILE N N 15 122.381 0.078 . . . . . . 70 ILE N . 15801 1 747 . 1 1 83 83 ASP H H 1 7.958 0.014 . . . . . . 71 ASP H . 15801 1 748 . 1 1 83 83 ASP HA H 1 4.158 0.026 . . . . . . 71 ASP HA . 15801 1 749 . 1 1 83 83 ASP HB2 H 1 2.762 0.006 . . . . . . 71 ASP HB2 . 15801 1 750 . 1 1 83 83 ASP HB3 H 1 2.640 0.019 . . . . . . 71 ASP HB3 . 15801 1 751 . 1 1 83 83 ASP CA C 13 57.905 0.103 . . . . . . 71 ASP CA . 15801 1 752 . 1 1 83 83 ASP CB C 13 39.742 0.150 . . . . . . 71 ASP CB . 15801 1 753 . 1 1 83 83 ASP N N 15 120.403 0.099 . . . . . . 71 ASP N . 15801 1 754 . 1 1 84 84 VAL H H 1 7.808 0.022 . . . . . . 72 VAL H . 15801 1 755 . 1 1 84 84 VAL HA H 1 3.635 0.025 . . . . . . 72 VAL HA . 15801 1 756 . 1 1 84 84 VAL HB H 1 2.126 0.017 . . . . . . 72 VAL HB . 15801 1 757 . 1 1 84 84 VAL HG11 H 1 1.002 0.011 . . . . . . 72 VAL QG1 . 15801 1 758 . 1 1 84 84 VAL HG12 H 1 1.002 0.011 . . . . . . 72 VAL QG1 . 15801 1 759 . 1 1 84 84 VAL HG13 H 1 1.002 0.011 . . . . . . 72 VAL QG1 . 15801 1 760 . 1 1 84 84 VAL HG21 H 1 0.849 0.017 . . . . . . 72 VAL QG2 . 15801 1 761 . 1 1 84 84 VAL HG22 H 1 0.849 0.017 . . . . . . 72 VAL QG2 . 15801 1 762 . 1 1 84 84 VAL HG23 H 1 0.849 0.017 . . . . . . 72 VAL QG2 . 15801 1 763 . 1 1 84 84 VAL CA C 13 66.010 0.113 . . . . . . 72 VAL CA . 15801 1 764 . 1 1 84 84 VAL CB C 13 31.737 0.090 . . . . . . 72 VAL CB . 15801 1 765 . 1 1 84 84 VAL CG1 C 13 22.397 0.106 . . . . . . 72 VAL CG1 . 15801 1 766 . 1 1 84 84 VAL CG2 C 13 20.723 0.091 . . . . . . 72 VAL CG2 . 15801 1 767 . 1 1 84 84 VAL N N 15 121.909 0.043 . . . . . . 72 VAL N . 15801 1 768 . 1 1 85 85 ILE H H 1 7.699 0.010 . . . . . . 73 ILE H . 15801 1 769 . 1 1 85 85 ILE HA H 1 3.577 0.015 . . . . . . 73 ILE HA . 15801 1 770 . 1 1 85 85 ILE HB H 1 1.683 0.040 . . . . . . 73 ILE HB . 15801 1 771 . 1 1 85 85 ILE HD11 H 1 0.614 0.015 . . . . . . 73 ILE QD1 . 15801 1 772 . 1 1 85 85 ILE HD12 H 1 0.614 0.015 . . . . . . 73 ILE QD1 . 15801 1 773 . 1 1 85 85 ILE HD13 H 1 0.614 0.015 . . . . . . 73 ILE QD1 . 15801 1 774 . 1 1 85 85 ILE HG12 H 1 1.610 0.016 . . . . . . 73 ILE HG12 . 15801 1 775 . 1 1 85 85 ILE HG13 H 1 0.995 0.029 . . . . . . 73 ILE HG13 . 15801 1 776 . 1 1 85 85 ILE HG21 H 1 0.703 0.015 . . . . . . 73 ILE QG2 . 15801 1 777 . 1 1 85 85 ILE HG22 H 1 0.703 0.015 . . . . . . 73 ILE QG2 . 15801 1 778 . 1 1 85 85 ILE HG23 H 1 0.703 0.015 . . . . . . 73 ILE QG2 . 15801 1 779 . 1 1 85 85 ILE CA C 13 64.875 0.153 . . . . . . 73 ILE CA . 15801 1 780 . 1 1 85 85 ILE CB C 13 37.605 0.000 . . . . . . 73 ILE CB . 15801 1 781 . 1 1 85 85 ILE CD1 C 13 13.919 0.076 . . . . . . 73 ILE CD1 . 15801 1 782 . 1 1 85 85 ILE CG1 C 13 28.464 0.000 . . . . . . 73 ILE CG1 . 15801 1 783 . 1 1 85 85 ILE CG2 C 13 18.523 0.156 . . . . . . 73 ILE CG2 . 15801 1 784 . 1 1 85 85 ILE N N 15 122.944 0.048 . . . . . . 73 ILE N . 15801 1 785 . 1 1 86 86 ILE H H 1 8.460 0.013 . . . . . . 74 ILE H . 15801 1 786 . 1 1 86 86 ILE HA H 1 3.420 0.015 . . . . . . 74 ILE HA . 15801 1 787 . 1 1 86 86 ILE HB H 1 1.793 0.017 . . . . . . 74 ILE HB . 15801 1 788 . 1 1 86 86 ILE HD11 H 1 0.267 0.034 . . . . . . 74 ILE QD1 . 15801 1 789 . 1 1 86 86 ILE HD12 H 1 0.267 0.034 . . . . . . 74 ILE QD1 . 15801 1 790 . 1 1 86 86 ILE HD13 H 1 0.267 0.034 . . . . . . 74 ILE QD1 . 15801 1 791 . 1 1 86 86 ILE HG12 H 1 0.984 0.018 . . . . . . 74 ILE HG12 . 15801 1 792 . 1 1 86 86 ILE HG13 H 1 0.344 0.036 . . . . . . 74 ILE HG13 . 15801 1 793 . 1 1 86 86 ILE HG21 H 1 0.273 0.011 . . . . . . 74 ILE QG2 . 15801 1 794 . 1 1 86 86 ILE HG22 H 1 0.273 0.011 . . . . . . 74 ILE QG2 . 15801 1 795 . 1 1 86 86 ILE HG23 H 1 0.273 0.011 . . . . . . 74 ILE QG2 . 15801 1 796 . 1 1 86 86 ILE CA C 13 62.727 0.149 . . . . . . 74 ILE CA . 15801 1 797 . 1 1 86 86 ILE CB C 13 34.322 0.107 . . . . . . 74 ILE CB . 15801 1 798 . 1 1 86 86 ILE CD1 C 13 9.169 0.000 . . . . . . 74 ILE CD1 . 15801 1 799 . 1 1 86 86 ILE CG1 C 13 26.967 0.119 . . . . . . 74 ILE CG1 . 15801 1 800 . 1 1 86 86 ILE CG2 C 13 16.135 0.035 . . . . . . 74 ILE CG2 . 15801 1 801 . 1 1 86 86 ILE N N 15 121.357 0.051 . . . . . . 74 ILE N . 15801 1 802 . 1 1 87 87 GLY H H 1 7.982 0.014 . . . . . . 75 GLY H . 15801 1 803 . 1 1 87 87 GLY HA2 H 1 3.857 0.037 . . . . . . 75 GLY QA . 15801 1 804 . 1 1 87 87 GLY HA3 H 1 3.857 0.037 . . . . . . 75 GLY QA . 15801 1 805 . 1 1 87 87 GLY CA C 13 47.573 0.000 . . . . . . 75 GLY CA . 15801 1 806 . 1 1 87 87 GLY N N 15 108.484 0.042 . . . . . . 75 GLY N . 15801 1 807 . 1 1 88 88 ARG H H 1 7.765 0.010 . . . . . . 76 ARG H . 15801 1 808 . 1 1 88 88 ARG HA H 1 4.031 0.016 . . . . . . 76 ARG HA . 15801 1 809 . 1 1 88 88 ARG HB2 H 1 2.036 0.005 . . . . . . 76 ARG HB2 . 15801 1 810 . 1 1 88 88 ARG HB3 H 1 1.768 0.046 . . . . . . 76 ARG HB3 . 15801 1 811 . 1 1 88 88 ARG HD2 H 1 3.120 0.004 . . . . . . 76 ARG QD . 15801 1 812 . 1 1 88 88 ARG HD3 H 1 3.120 0.004 . . . . . . 76 ARG QD . 15801 1 813 . 1 1 88 88 ARG HG2 H 1 3.222 0.000 . . . . . . 76 ARG QG . 15801 1 814 . 1 1 88 88 ARG HG3 H 1 3.222 0.000 . . . . . . 76 ARG QG . 15801 1 815 . 1 1 88 88 ARG CA C 13 59.151 0.000 . . . . . . 76 ARG CA . 15801 1 816 . 1 1 88 88 ARG CB C 13 29.624 0.000 . . . . . . 76 ARG CB . 15801 1 817 . 1 1 88 88 ARG CD C 13 43.174 0.018 . . . . . . 76 ARG CD . 15801 1 818 . 1 1 88 88 ARG CG C 13 27.627 0.000 . . . . . . 76 ARG CG . 15801 1 819 . 1 1 88 88 ARG N N 15 124.127 0.024 . . . . . . 76 ARG N . 15801 1 820 . 1 1 89 89 LEU H H 1 8.643 0.021 . . . . . . 77 LEU H . 15801 1 821 . 1 1 89 89 LEU HA H 1 3.787 0.013 . . . . . . 77 LEU HA . 15801 1 822 . 1 1 89 89 LEU HB2 H 1 1.982 0.010 . . . . . . 77 LEU HB2 . 15801 1 823 . 1 1 89 89 LEU HB3 H 1 1.118 0.016 . . . . . . 77 LEU HB3 . 15801 1 824 . 1 1 89 89 LEU HD11 H 1 0.726 0.022 . . . . . . 77 LEU QD1 . 15801 1 825 . 1 1 89 89 LEU HD12 H 1 0.726 0.022 . . . . . . 77 LEU QD1 . 15801 1 826 . 1 1 89 89 LEU HD13 H 1 0.726 0.022 . . . . . . 77 LEU QD1 . 15801 1 827 . 1 1 89 89 LEU HD21 H 1 0.683 0.016 . . . . . . 77 LEU QD2 . 15801 1 828 . 1 1 89 89 LEU HD22 H 1 0.683 0.016 . . . . . . 77 LEU QD2 . 15801 1 829 . 1 1 89 89 LEU HD23 H 1 0.683 0.016 . . . . . . 77 LEU QD2 . 15801 1 830 . 1 1 89 89 LEU HG H 1 1.648 0.022 . . . . . . 77 LEU HG . 15801 1 831 . 1 1 89 89 LEU CA C 13 57.906 0.037 . . . . . . 77 LEU CA . 15801 1 832 . 1 1 89 89 LEU CB C 13 42.924 0.047 . . . . . . 77 LEU CB . 15801 1 833 . 1 1 89 89 LEU CD1 C 13 24.764 0.055 . . . . . . 77 LEU CD1 . 15801 1 834 . 1 1 89 89 LEU CD2 C 13 25.195 0.045 . . . . . . 77 LEU CD2 . 15801 1 835 . 1 1 89 89 LEU CG C 13 27.398 0.174 . . . . . . 77 LEU CG . 15801 1 836 . 1 1 89 89 LEU N N 15 121.248 0.052 . . . . . . 77 LEU N . 15801 1 837 . 1 1 90 90 ARG H H 1 8.914 0.007 . . . . . . 78 ARG H . 15801 1 838 . 1 1 90 90 ARG HA H 1 3.995 0.013 . . . . . . 78 ARG HA . 15801 1 839 . 1 1 90 90 ARG HB2 H 1 2.109 0.026 . . . . . . 78 ARG HB2 . 15801 1 840 . 1 1 90 90 ARG HB3 H 1 1.677 0.021 . . . . . . 78 ARG HB3 . 15801 1 841 . 1 1 90 90 ARG HD2 H 1 3.717 0.000 . . . . . . 78 ARG QD . 15801 1 842 . 1 1 90 90 ARG HD3 H 1 3.717 0.000 . . . . . . 78 ARG QD . 15801 1 843 . 1 1 90 90 ARG CA C 13 60.275 0.011 . . . . . . 78 ARG CA . 15801 1 844 . 1 1 90 90 ARG CB C 13 31.152 0.058 . . . . . . 78 ARG CB . 15801 1 845 . 1 1 90 90 ARG CD C 13 44.099 0.000 . . . . . . 78 ARG CD . 15801 1 846 . 1 1 90 90 ARG CG C 13 29.478 0.000 . . . . . . 78 ARG CG . 15801 1 847 . 1 1 90 90 ARG N N 15 118.266 0.053 . . . . . . 78 ARG N . 15801 1 848 . 1 1 91 91 SER H H 1 7.879 0.012 . . . . . . 79 SER H . 15801 1 849 . 1 1 91 91 SER HA H 1 4.038 0.023 . . . . . . 79 SER HA . 15801 1 850 . 1 1 91 91 SER CA C 13 62.017 0.189 . . . . . . 79 SER CA . 15801 1 851 . 1 1 91 91 SER CB C 13 62.760 0.000 . . . . . . 79 SER CB . 15801 1 852 . 1 1 91 91 SER N N 15 114.648 0.053 . . . . . . 79 SER N . 15801 1 853 . 1 1 92 92 LYS H H 1 7.391 0.008 . . . . . . 80 LYS H . 15801 1 854 . 1 1 92 92 LYS HA H 1 4.260 0.010 . . . . . . 80 LYS HA . 15801 1 855 . 1 1 92 92 LYS HB2 H 1 1.755 0.012 . . . . . . 80 LYS HB2 . 15801 1 856 . 1 1 92 92 LYS HB3 H 1 1.622 0.003 . . . . . . 80 LYS HB3 . 15801 1 857 . 1 1 92 92 LYS HG2 H 1 1.298 0.012 . . . . . . 80 LYS QG . 15801 1 858 . 1 1 92 92 LYS HG3 H 1 1.298 0.012 . . . . . . 80 LYS QG . 15801 1 859 . 1 1 92 92 LYS CA C 13 58.566 0.000 . . . . . . 80 LYS CA . 15801 1 860 . 1 1 92 92 LYS CB C 13 34.222 0.000 . . . . . . 80 LYS CB . 15801 1 861 . 1 1 92 92 LYS CD C 13 30.019 0.000 . . . . . . 80 LYS CD . 15801 1 862 . 1 1 92 92 LYS CG C 13 26.672 0.204 . . . . . . 80 LYS CG . 15801 1 863 . 1 1 92 92 LYS N N 15 120.005 0.045 . . . . . . 80 LYS N . 15801 1 864 . 1 1 93 93 ILE H H 1 7.598 0.012 . . . . . . 81 ILE H . 15801 1 865 . 1 1 93 93 ILE HA H 1 4.363 0.018 . . . . . . 81 ILE HA . 15801 1 866 . 1 1 93 93 ILE HB H 1 1.906 0.021 . . . . . . 81 ILE HB . 15801 1 867 . 1 1 93 93 ILE HD11 H 1 0.696 0.013 . . . . . . 81 ILE QD1 . 15801 1 868 . 1 1 93 93 ILE HD12 H 1 0.696 0.013 . . . . . . 81 ILE QD1 . 15801 1 869 . 1 1 93 93 ILE HD13 H 1 0.696 0.013 . . . . . . 81 ILE QD1 . 15801 1 870 . 1 1 93 93 ILE HG12 H 1 1.409 0.019 . . . . . . 81 ILE HG12 . 15801 1 871 . 1 1 93 93 ILE HG13 H 1 1.239 0.021 . . . . . . 81 ILE HG13 . 15801 1 872 . 1 1 93 93 ILE HG21 H 1 0.802 0.021 . . . . . . 81 ILE QG2 . 15801 1 873 . 1 1 93 93 ILE HG22 H 1 0.802 0.021 . . . . . . 81 ILE QG2 . 15801 1 874 . 1 1 93 93 ILE HG23 H 1 0.802 0.021 . . . . . . 81 ILE QG2 . 15801 1 875 . 1 1 93 93 ILE CA C 13 62.249 0.130 . . . . . . 81 ILE CA . 15801 1 876 . 1 1 93 93 ILE CB C 13 40.625 0.077 . . . . . . 81 ILE CB . 15801 1 877 . 1 1 93 93 ILE CD1 C 13 14.569 0.124 . . . . . . 81 ILE CD1 . 15801 1 878 . 1 1 93 93 ILE CG1 C 13 26.958 0.131 . . . . . . 81 ILE CG1 . 15801 1 879 . 1 1 93 93 ILE CG2 C 13 17.377 0.052 . . . . . . 81 ILE CG2 . 15801 1 880 . 1 1 93 93 ILE N N 15 112.821 0.046 . . . . . . 81 ILE N . 15801 1 881 . 1 1 94 94 GLU H H 1 8.227 0.007 . . . . . . 82 GLU H . 15801 1 882 . 1 1 94 94 GLU HA H 1 4.665 0.023 . . . . . . 82 GLU HA . 15801 1 883 . 1 1 94 94 GLU HB2 H 1 1.845 0.013 . . . . . . 82 GLU HB2 . 15801 1 884 . 1 1 94 94 GLU HB3 H 1 1.642 0.030 . . . . . . 82 GLU HB3 . 15801 1 885 . 1 1 94 94 GLU CA C 13 54.816 0.000 . . . . . . 82 GLU CA . 15801 1 886 . 1 1 94 94 GLU CB C 13 29.287 0.142 . . . . . . 82 GLU CB . 15801 1 887 . 1 1 94 94 GLU CG C 13 36.433 0.000 . . . . . . 82 GLU CG . 15801 1 888 . 1 1 94 94 GLU N N 15 118.040 0.056 . . . . . . 82 GLU N . 15801 1 889 . 1 1 95 95 LYS H H 1 9.055 0.013 . . . . . . 83 LYS H . 15801 1 890 . 1 1 95 95 LYS HA H 1 4.040 0.012 . . . . . . 83 LYS HA . 15801 1 891 . 1 1 95 95 LYS HB2 H 1 1.738 0.024 . . . . . . 83 LYS QB . 15801 1 892 . 1 1 95 95 LYS HB3 H 1 1.738 0.024 . . . . . . 83 LYS QB . 15801 1 893 . 1 1 95 95 LYS HE2 H 1 2.943 0.034 . . . . . . 83 LYS QE . 15801 1 894 . 1 1 95 95 LYS HE3 H 1 2.943 0.034 . . . . . . 83 LYS QE . 15801 1 895 . 1 1 95 95 LYS HG2 H 1 1.433 0.009 . . . . . . 83 LYS QG . 15801 1 896 . 1 1 95 95 LYS HG3 H 1 1.433 0.009 . . . . . . 83 LYS QG . 15801 1 897 . 1 1 95 95 LYS CA C 13 58.751 0.000 . . . . . . 83 LYS CA . 15801 1 898 . 1 1 95 95 LYS CB C 13 31.781 0.021 . . . . . . 83 LYS CB . 15801 1 899 . 1 1 95 95 LYS CD C 13 28.732 0.000 . . . . . . 83 LYS CD . 15801 1 900 . 1 1 95 95 LYS CE C 13 41.912 0.000 . . . . . . 83 LYS CE . 15801 1 901 . 1 1 95 95 LYS CG C 13 24.955 0.179 . . . . . . 83 LYS CG . 15801 1 902 . 1 1 95 95 LYS N N 15 124.462 0.055 . . . . . . 83 LYS N . 15801 1 903 . 1 1 96 96 ASN H H 1 8.429 0.008 . . . . . . 84 ASN H . 15801 1 904 . 1 1 96 96 ASN N N 15 113.853 0.069 . . . . . . 84 ASN N . 15801 1 905 . 1 1 97 97 PRO HA H 1 3.713 0.017 . . . . . . 85 PRO HA . 15801 1 906 . 1 1 97 97 PRO HB2 H 1 2.001 0.025 . . . . . . 85 PRO QB . 15801 1 907 . 1 1 97 97 PRO HB3 H 1 2.001 0.025 . . . . . . 85 PRO QB . 15801 1 908 . 1 1 97 97 PRO CA C 13 64.822 0.043 . . . . . . 85 PRO CA . 15801 1 909 . 1 1 97 97 PRO CB C 13 32.442 0.060 . . . . . . 85 PRO CB . 15801 1 910 . 1 1 97 97 PRO CG C 13 27.437 0.000 . . . . . . 85 PRO CG . 15801 1 911 . 1 1 98 98 LYS H H 1 7.382 0.006 . . . . . . 86 LYS H . 15801 1 912 . 1 1 98 98 LYS HA H 1 4.136 0.013 . . . . . . 86 LYS HA . 15801 1 913 . 1 1 98 98 LYS HB2 H 1 1.906 0.033 . . . . . . 86 LYS HB2 . 15801 1 914 . 1 1 98 98 LYS HB3 H 1 1.752 0.030 . . . . . . 86 LYS HB3 . 15801 1 915 . 1 1 98 98 LYS HE2 H 1 2.915 0.014 . . . . . . 86 LYS QE . 15801 1 916 . 1 1 98 98 LYS HE3 H 1 2.915 0.014 . . . . . . 86 LYS QE . 15801 1 917 . 1 1 98 98 LYS HG2 H 1 1.359 0.026 . . . . . . 86 LYS QG . 15801 1 918 . 1 1 98 98 LYS HG3 H 1 1.359 0.026 . . . . . . 86 LYS QG . 15801 1 919 . 1 1 98 98 LYS CA C 13 56.778 0.078 . . . . . . 86 LYS CA . 15801 1 920 . 1 1 98 98 LYS CB C 13 32.327 0.000 . . . . . . 86 LYS CB . 15801 1 921 . 1 1 98 98 LYS CD C 13 28.498 0.000 . . . . . . 86 LYS CD . 15801 1 922 . 1 1 98 98 LYS CE C 13 42.003 0.099 . . . . . . 86 LYS CE . 15801 1 923 . 1 1 98 98 LYS CG C 13 25.054 0.272 . . . . . . 86 LYS CG . 15801 1 924 . 1 1 98 98 LYS N N 15 113.510 0.034 . . . . . . 86 LYS N . 15801 1 925 . 1 1 99 99 GLN H H 1 7.610 0.006 . . . . . . 87 GLN H . 15801 1 926 . 1 1 99 99 GLN N N 15 119.811 0.060 . . . . . . 87 GLN N . 15801 1 927 . 1 1 100 100 PRO HA H 1 3.979 0.033 . . . . . . 88 PRO HA . 15801 1 928 . 1 1 100 100 PRO HB2 H 1 2.019 0.014 . . . . . . 88 PRO QB . 15801 1 929 . 1 1 100 100 PRO HB3 H 1 2.019 0.014 . . . . . . 88 PRO QB . 15801 1 930 . 1 1 100 100 PRO CA C 13 63.697 0.066 . . . . . . 88 PRO CA . 15801 1 931 . 1 1 100 100 PRO CB C 13 33.024 0.086 . . . . . . 88 PRO CB . 15801 1 932 . 1 1 100 100 PRO CG C 13 27.434 0.000 . . . . . . 88 PRO CG . 15801 1 933 . 1 1 101 101 GLN H H 1 10.011 0.017 . . . . . . 89 GLN H . 15801 1 934 . 1 1 101 101 GLN HA H 1 4.260 0.015 . . . . . . 89 GLN HA . 15801 1 935 . 1 1 101 101 GLN HB2 H 1 1.686 0.011 . . . . . . 89 GLN HB2 . 15801 1 936 . 1 1 101 101 GLN HB3 H 1 1.484 0.021 . . . . . . 89 GLN HB3 . 15801 1 937 . 1 1 101 101 GLN HG2 H 1 2.014 0.018 . . . . . . 89 GLN QG . 15801 1 938 . 1 1 101 101 GLN HG3 H 1 2.014 0.018 . . . . . . 89 GLN QG . 15801 1 939 . 1 1 101 101 GLN CA C 13 55.598 0.118 . . . . . . 89 GLN CA . 15801 1 940 . 1 1 101 101 GLN CB C 13 32.017 0.135 . . . . . . 89 GLN CB . 15801 1 941 . 1 1 101 101 GLN CG C 13 33.489 0.139 . . . . . . 89 GLN CG . 15801 1 942 . 1 1 101 101 GLN N N 15 120.579 0.040 . . . . . . 89 GLN N . 15801 1 943 . 1 1 102 102 TYR H H 1 9.974 0.007 . . . . . . 90 TYR H . 15801 1 944 . 1 1 102 102 TYR HA H 1 5.541 0.012 . . . . . . 90 TYR HA . 15801 1 945 . 1 1 102 102 TYR HB2 H 1 3.026 0.033 . . . . . . 90 TYR QB . 15801 1 946 . 1 1 102 102 TYR HB3 H 1 3.026 0.033 . . . . . . 90 TYR QB . 15801 1 947 . 1 1 102 102 TYR HD1 H 1 7.539 0.000 . . . . . . 90 TYR HD1 . 15801 1 948 . 1 1 102 102 TYR HD2 H 1 7.281 0.002 . . . . . . 90 TYR HD2 . 15801 1 949 . 1 1 102 102 TYR CA C 13 59.054 0.050 . . . . . . 90 TYR CA . 15801 1 950 . 1 1 102 102 TYR CB C 13 39.259 0.072 . . . . . . 90 TYR CB . 15801 1 951 . 1 1 102 102 TYR N N 15 122.517 0.055 . . . . . . 90 TYR N . 15801 1 952 . 1 1 103 103 ILE H H 1 8.755 0.017 . . . . . . 91 ILE H . 15801 1 953 . 1 1 103 103 ILE HA H 1 4.556 0.015 . . . . . . 91 ILE HA . 15801 1 954 . 1 1 103 103 ILE HB H 1 1.713 0.021 . . . . . . 91 ILE HB . 15801 1 955 . 1 1 103 103 ILE HD11 H 1 0.573 0.056 . . . . . . 91 ILE QD1 . 15801 1 956 . 1 1 103 103 ILE HD12 H 1 0.573 0.056 . . . . . . 91 ILE QD1 . 15801 1 957 . 1 1 103 103 ILE HD13 H 1 0.573 0.056 . . . . . . 91 ILE QD1 . 15801 1 958 . 1 1 103 103 ILE HG12 H 1 1.654 0.022 . . . . . . 91 ILE HG12 . 15801 1 959 . 1 1 103 103 ILE HG13 H 1 1.635 0.024 . . . . . . 91 ILE HG13 . 15801 1 960 . 1 1 103 103 ILE HG21 H 1 0.579 0.036 . . . . . . 91 ILE QG2 . 15801 1 961 . 1 1 103 103 ILE HG22 H 1 0.579 0.036 . . . . . . 91 ILE QG2 . 15801 1 962 . 1 1 103 103 ILE HG23 H 1 0.579 0.036 . . . . . . 91 ILE QG2 . 15801 1 963 . 1 1 103 103 ILE CA C 13 60.405 0.146 . . . . . . 91 ILE CA . 15801 1 964 . 1 1 103 103 ILE CB C 13 37.185 0.054 . . . . . . 91 ILE CB . 15801 1 965 . 1 1 103 103 ILE CD1 C 13 14.157 0.000 . . . . . . 91 ILE CD1 . 15801 1 966 . 1 1 103 103 ILE CG1 C 13 28.052 0.105 . . . . . . 91 ILE CG1 . 15801 1 967 . 1 1 103 103 ILE CG2 C 13 17.590 0.091 . . . . . . 91 ILE CG2 . 15801 1 968 . 1 1 103 103 ILE N N 15 118.207 0.037 . . . . . . 91 ILE N . 15801 1 969 . 1 1 104 104 ILE H H 1 9.141 0.166 . . . . . . 92 ILE H . 15801 1 970 . 1 1 104 104 ILE HA H 1 4.199 0.013 . . . . . . 92 ILE HA . 15801 1 971 . 1 1 104 104 ILE HB H 1 1.720 0.011 . . . . . . 92 ILE HB . 15801 1 972 . 1 1 104 104 ILE HD11 H 1 0.743 0.024 . . . . . . 92 ILE QD1 . 15801 1 973 . 1 1 104 104 ILE HD12 H 1 0.743 0.024 . . . . . . 92 ILE QD1 . 15801 1 974 . 1 1 104 104 ILE HD13 H 1 0.743 0.024 . . . . . . 92 ILE QD1 . 15801 1 975 . 1 1 104 104 ILE HG12 H 1 1.290 0.027 . . . . . . 92 ILE HG12 . 15801 1 976 . 1 1 104 104 ILE HG13 H 1 1.132 0.023 . . . . . . 92 ILE HG13 . 15801 1 977 . 1 1 104 104 ILE HG21 H 1 0.742 0.016 . . . . . . 92 ILE QG2 . 15801 1 978 . 1 1 104 104 ILE HG22 H 1 0.742 0.016 . . . . . . 92 ILE QG2 . 15801 1 979 . 1 1 104 104 ILE HG23 H 1 0.742 0.016 . . . . . . 92 ILE QG2 . 15801 1 980 . 1 1 104 104 ILE CA C 13 58.592 0.116 . . . . . . 92 ILE CA . 15801 1 981 . 1 1 104 104 ILE CB C 13 39.266 0.075 . . . . . . 92 ILE CB . 15801 1 982 . 1 1 104 104 ILE CD1 C 13 10.152 0.000 . . . . . . 92 ILE CD1 . 15801 1 983 . 1 1 104 104 ILE CG1 C 13 26.628 0.078 . . . . . . 92 ILE CG1 . 15801 1 984 . 1 1 104 104 ILE CG2 C 13 17.148 0.102 . . . . . . 92 ILE CG2 . 15801 1 985 . 1 1 104 104 ILE N N 15 131.354 2.366 . . . . . . 92 ILE N . 15801 1 986 . 1 1 105 105 SER H H 1 9.048 0.018 . . . . . . 93 SER H . 15801 1 987 . 1 1 105 105 SER HA H 1 4.404 0.011 . . . . . . 93 SER HA . 15801 1 988 . 1 1 105 105 SER HB2 H 1 3.738 0.015 . . . . . . 93 SER QB . 15801 1 989 . 1 1 105 105 SER HB3 H 1 3.738 0.015 . . . . . . 93 SER QB . 15801 1 990 . 1 1 105 105 SER CA C 13 58.231 0.133 . . . . . . 93 SER CA . 15801 1 991 . 1 1 105 105 SER CB C 13 63.618 0.044 . . . . . . 93 SER CB . 15801 1 992 . 1 1 105 105 SER N N 15 122.876 0.061 . . . . . . 93 SER N . 15801 1 993 . 1 1 106 106 VAL H H 1 8.199 0.032 . . . . . . 94 VAL H . 15801 1 994 . 1 1 106 106 VAL HA H 1 3.954 0.011 . . . . . . 94 VAL HA . 15801 1 995 . 1 1 106 106 VAL HB H 1 1.385 0.017 . . . . . . 94 VAL HB . 15801 1 996 . 1 1 106 106 VAL HG11 H 1 0.710 0.019 . . . . . . 94 VAL QG1 . 15801 1 997 . 1 1 106 106 VAL HG12 H 1 0.710 0.019 . . . . . . 94 VAL QG1 . 15801 1 998 . 1 1 106 106 VAL HG13 H 1 0.710 0.019 . . . . . . 94 VAL QG1 . 15801 1 999 . 1 1 106 106 VAL HG21 H 1 0.641 0.016 . . . . . . 94 VAL QG2 . 15801 1 1000 . 1 1 106 106 VAL HG22 H 1 0.641 0.016 . . . . . . 94 VAL QG2 . 15801 1 1001 . 1 1 106 106 VAL HG23 H 1 0.641 0.016 . . . . . . 94 VAL QG2 . 15801 1 1002 . 1 1 106 106 VAL CA C 13 61.480 0.082 . . . . . . 94 VAL CA . 15801 1 1003 . 1 1 106 106 VAL CB C 13 31.367 0.183 . . . . . . 94 VAL CB . 15801 1 1004 . 1 1 106 106 VAL CG1 C 13 20.785 0.062 . . . . . . 94 VAL CG1 . 15801 1 1005 . 1 1 106 106 VAL CG2 C 13 20.037 0.176 . . . . . . 94 VAL CG2 . 15801 1 1006 . 1 1 106 106 VAL N N 15 128.189 0.049 . . . . . . 94 VAL N . 15801 1 1007 . 1 1 107 107 ARG H H 1 8.583 0.017 . . . . . . 95 ARG H . 15801 1 1008 . 1 1 107 107 ARG HA H 1 4.507 0.006 . . . . . . 95 ARG HA . 15801 1 1009 . 1 1 107 107 ARG HB2 H 1 2.988 0.028 . . . . . . 95 ARG QB . 15801 1 1010 . 1 1 107 107 ARG HB3 H 1 2.988 0.028 . . . . . . 95 ARG QB . 15801 1 1011 . 1 1 107 107 ARG CA C 13 56.296 0.151 . . . . . . 95 ARG CA . 15801 1 1012 . 1 1 107 107 ARG CB C 13 30.158 0.076 . . . . . . 95 ARG CB . 15801 1 1013 . 1 1 107 107 ARG N N 15 127.291 0.079 . . . . . . 95 ARG N . 15801 1 1014 . 1 1 108 108 GLY H H 1 8.400 0.019 . . . . . . 96 GLY H . 15801 1 1015 . 1 1 108 108 GLY HA2 H 1 4.005 0.017 . . . . . . 96 GLY HA1 . 15801 1 1016 . 1 1 108 108 GLY HA3 H 1 3.735 0.017 . . . . . . 96 GLY HA2 . 15801 1 1017 . 1 1 108 108 GLY CA C 13 45.282 0.071 . . . . . . 96 GLY CA . 15801 1 1018 . 1 1 108 108 GLY N N 15 111.591 0.041 . . . . . . 96 GLY N . 15801 1 1019 . 1 1 109 109 ILE H H 1 8.034 0.017 . . . . . . 97 ILE H . 15801 1 1020 . 1 1 109 109 ILE HA H 1 4.227 0.016 . . . . . . 97 ILE HA . 15801 1 1021 . 1 1 109 109 ILE HB H 1 1.477 0.012 . . . . . . 97 ILE HB . 15801 1 1022 . 1 1 109 109 ILE HD11 H 1 0.635 0.020 . . . . . . 97 ILE QD1 . 15801 1 1023 . 1 1 109 109 ILE HD12 H 1 0.635 0.020 . . . . . . 97 ILE QD1 . 15801 1 1024 . 1 1 109 109 ILE HD13 H 1 0.635 0.020 . . . . . . 97 ILE QD1 . 15801 1 1025 . 1 1 109 109 ILE HG12 H 1 1.230 0.018 . . . . . . 97 ILE HG12 . 15801 1 1026 . 1 1 109 109 ILE HG13 H 1 0.915 0.021 . . . . . . 97 ILE HG13 . 15801 1 1027 . 1 1 109 109 ILE HG21 H 1 0.647 0.024 . . . . . . 97 ILE QG2 . 15801 1 1028 . 1 1 109 109 ILE HG22 H 1 0.647 0.024 . . . . . . 97 ILE QG2 . 15801 1 1029 . 1 1 109 109 ILE HG23 H 1 0.647 0.024 . . . . . . 97 ILE QG2 . 15801 1 1030 . 1 1 109 109 ILE CA C 13 61.965 0.094 . . . . . . 97 ILE CA . 15801 1 1031 . 1 1 109 109 ILE CB C 13 40.380 0.071 . . . . . . 97 ILE CB . 15801 1 1032 . 1 1 109 109 ILE CD1 C 13 12.773 0.329 . . . . . . 97 ILE CD1 . 15801 1 1033 . 1 1 109 109 ILE CG1 C 13 26.582 0.027 . . . . . . 97 ILE CG1 . 15801 1 1034 . 1 1 109 109 ILE CG2 C 13 17.636 0.127 . . . . . . 97 ILE CG2 . 15801 1 1035 . 1 1 109 109 ILE N N 15 117.755 0.034 . . . . . . 97 ILE N . 15801 1 1036 . 1 1 110 110 GLY H H 1 7.447 0.014 . . . . . . 98 GLY H . 15801 1 1037 . 1 1 110 110 GLY HA2 H 1 4.417 0.015 . . . . . . 98 GLY HA1 . 15801 1 1038 . 1 1 110 110 GLY HA3 H 1 3.355 0.019 . . . . . . 98 GLY HA2 . 15801 1 1039 . 1 1 110 110 GLY CA C 13 45.977 0.067 . . . . . . 98 GLY CA . 15801 1 1040 . 1 1 110 110 GLY N N 15 106.805 0.046 . . . . . . 98 GLY N . 15801 1 1041 . 1 1 111 111 TYR H H 1 8.739 0.020 . . . . . . 99 TYR H . 15801 1 1042 . 1 1 111 111 TYR HA H 1 5.517 0.009 . . . . . . 99 TYR HA . 15801 1 1043 . 1 1 111 111 TYR HB2 H 1 2.725 0.015 . . . . . . 99 TYR HB2 . 15801 1 1044 . 1 1 111 111 TYR HB3 H 1 2.212 0.011 . . . . . . 99 TYR HB3 . 15801 1 1045 . 1 1 111 111 TYR HD1 H 1 6.714 0.031 . . . . . . 99 TYR HD1 . 15801 1 1046 . 1 1 111 111 TYR HD2 H 1 6.445 0.042 . . . . . . 99 TYR HD2 . 15801 1 1047 . 1 1 111 111 TYR CA C 13 57.042 0.080 . . . . . . 99 TYR CA . 15801 1 1048 . 1 1 111 111 TYR CB C 13 44.241 0.049 . . . . . . 99 TYR CB . 15801 1 1049 . 1 1 111 111 TYR N N 15 122.743 0.043 . . . . . . 99 TYR N . 15801 1 1050 . 1 1 112 112 LYS H H 1 8.815 0.007 . . . . . . 100 LYS H . 15801 1 1051 . 1 1 112 112 LYS HA H 1 5.127 0.007 . . . . . . 100 LYS HA . 15801 1 1052 . 1 1 112 112 LYS HB2 H 1 1.446 0.015 . . . . . . 100 LYS HB2 . 15801 1 1053 . 1 1 112 112 LYS HB3 H 1 1.325 0.023 . . . . . . 100 LYS HB3 . 15801 1 1054 . 1 1 112 112 LYS HE2 H 1 2.527 0.009 . . . . . . 100 LYS QE . 15801 1 1055 . 1 1 112 112 LYS HE3 H 1 2.527 0.009 . . . . . . 100 LYS QE . 15801 1 1056 . 1 1 112 112 LYS HG2 H 1 0.942 0.018 . . . . . . 100 LYS QG . 15801 1 1057 . 1 1 112 112 LYS HG3 H 1 0.942 0.018 . . . . . . 100 LYS QG . 15801 1 1058 . 1 1 112 112 LYS CA C 13 53.957 0.015 . . . . . . 100 LYS CA . 15801 1 1059 . 1 1 112 112 LYS CB C 13 38.167 0.122 . . . . . . 100 LYS CB . 15801 1 1060 . 1 1 112 112 LYS CD C 13 29.724 0.000 . . . . . . 100 LYS CD . 15801 1 1061 . 1 1 112 112 LYS CE C 13 42.207 0.000 . . . . . . 100 LYS CE . 15801 1 1062 . 1 1 112 112 LYS CG C 13 24.102 0.141 . . . . . . 100 LYS CG . 15801 1 1063 . 1 1 112 112 LYS N N 15 117.169 0.048 . . . . . . 100 LYS N . 15801 1 1064 . 1 1 113 113 LEU H H 1 9.457 0.023 . . . . . . 101 LEU H . 15801 1 1065 . 1 1 113 113 LEU HA H 1 5.579 0.011 . . . . . . 101 LEU HA . 15801 1 1066 . 1 1 113 113 LEU HB2 H 1 1.682 0.015 . . . . . . 101 LEU HB2 . 15801 1 1067 . 1 1 113 113 LEU HB3 H 1 1.099 0.019 . . . . . . 101 LEU HB3 . 15801 1 1068 . 1 1 113 113 LEU HD11 H 1 0.571 0.018 . . . . . . 101 LEU QD1 . 15801 1 1069 . 1 1 113 113 LEU HD12 H 1 0.571 0.018 . . . . . . 101 LEU QD1 . 15801 1 1070 . 1 1 113 113 LEU HD13 H 1 0.571 0.018 . . . . . . 101 LEU QD1 . 15801 1 1071 . 1 1 113 113 LEU HD21 H 1 0.452 0.038 . . . . . . 101 LEU QD2 . 15801 1 1072 . 1 1 113 113 LEU HD22 H 1 0.452 0.038 . . . . . . 101 LEU QD2 . 15801 1 1073 . 1 1 113 113 LEU HD23 H 1 0.452 0.038 . . . . . . 101 LEU QD2 . 15801 1 1074 . 1 1 113 113 LEU HG H 1 1.452 0.017 . . . . . . 101 LEU HG . 15801 1 1075 . 1 1 113 113 LEU CA C 13 52.761 0.072 . . . . . . 101 LEU CA . 15801 1 1076 . 1 1 113 113 LEU CB C 13 45.980 0.042 . . . . . . 101 LEU CB . 15801 1 1077 . 1 1 113 113 LEU CD1 C 13 24.923 0.065 . . . . . . 101 LEU CD1 . 15801 1 1078 . 1 1 113 113 LEU CD2 C 13 24.938 0.000 . . . . . . 101 LEU CD2 . 15801 1 1079 . 1 1 113 113 LEU CG C 13 27.814 0.122 . . . . . . 101 LEU CG . 15801 1 1080 . 1 1 113 113 LEU N N 15 125.085 0.048 . . . . . . 101 LEU N . 15801 1 1081 . 1 1 114 114 GLU H H 1 9.371 0.019 . . . . . . 102 GLU H . 15801 1 1082 . 1 1 114 114 GLU HA H 1 4.600 0.020 . . . . . . 102 GLU HA . 15801 1 1083 . 1 1 114 114 GLU HB2 H 1 2.027 0.005 . . . . . . 102 GLU HB2 . 15801 1 1084 . 1 1 114 114 GLU HB3 H 1 1.744 0.019 . . . . . . 102 GLU HB3 . 15801 1 1085 . 1 1 114 114 GLU HG2 H 1 2.113 0.005 . . . . . . 102 GLU QG . 15801 1 1086 . 1 1 114 114 GLU HG3 H 1 2.113 0.005 . . . . . . 102 GLU QG . 15801 1 1087 . 1 1 114 114 GLU CA C 13 55.043 0.108 . . . . . . 102 GLU CA . 15801 1 1088 . 1 1 114 114 GLU CB C 13 33.200 0.081 . . . . . . 102 GLU CB . 15801 1 1089 . 1 1 114 114 GLU CG C 13 35.970 0.042 . . . . . . 102 GLU CG . 15801 1 1090 . 1 1 114 114 GLU N N 15 127.920 0.054 . . . . . . 102 GLU N . 15801 1 1091 . 1 1 115 115 TYR H H 1 7.094 0.006 . . . . . . 103 TYR H . 15801 1 1092 . 1 1 115 115 TYR N N 15 120.668 0.050 . . . . . . 103 TYR N . 15801 1 stop_ save_