data_5598 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5598 _Entry.Title ; 1H, 13C and 15N backbone resonance assignments of domain 1 of receptor associated protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-11-25 _Entry.Accession_date 2002-11-26 _Entry.Last_release_date 2003-04-30 _Entry.Original_release_date 2003-04-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Yun-Xing Wang . . . 5598 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5598 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 5598 '15N chemical shifts' 102 5598 '1H chemical shifts' 725 5598 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-04-30 2002-11-25 original author . 5598 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1OP1 'BMRB Entry Tracking System' 5598 PDB 1OV2 'BMRB Entry Tracking System' 5598 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5598 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of domain 1 of receptor associated protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 2 _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 187 _Citation.Page_last 188 _Citation.Year 2003 _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 YiBing Wu . . . 5598 1 2 Molly Migliorini . . . 5598 1 3 Ping Yu . . . 5598 1 4 Dudely Strickland . K. . 5598 1 5 Yun-Xing Wang . . . 5598 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'domain 1' 5598 1 'receptor associated protein' 5598 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_D1_or_1D_of_RAP_or_RAP39 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_D1_or_1D_of_RAP_or_RAP39 _Assembly.Entry_ID 5598 _Assembly.ID 1 _Assembly.Name 'receptor associated protein-domain 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5598 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RAP domain 1' 1 $Domain_1_of_RAP . . . native . . . . . 5598 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'D1 or 1D of RAP or RAP39' abbreviation 5598 1 'receptor associated protein-domain 1' system 5598 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Domain_1_of_RAP _Entity.Sf_category entity _Entity.Sf_framecode Domain_1_of_RAP _Entity.Entry_ID 5598 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'receptor associated protein, domain 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSYSREKNQPKPSPKRESGE EFRMEKLNQLWEKAQRLHLP PVRLAELHADLKIQERDELA WKKLKLDGLDEDGEKEARLI RNLNVILAKYGLDGKKDART QV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The first two residues are cloning artifact.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16454 . RBD . . . . . 97.06 357 97.98 97.98 4.71e-58 . . . . 5598 1 2 no BMRB 17055 . RAPd1 . . . . . 79.41 81 100.00 100.00 5.26e-48 . . . . 5598 1 3 no PDB 1LRE . "Receptor Associated Protein (Rap) Domain 1, Nmr, 20 Structures" . . . . . 79.41 81 100.00 100.00 5.26e-48 . . . . 5598 1 4 no PDB 1NRE . "Receptor Associated Protein (Rap) Domain 1, Nmr, Minimized Average Structure" . . . . . 79.41 81 100.00 100.00 5.26e-48 . . . . 5598 1 5 no PDB 1OP1 . "Solution Nmr Structure Of Domain 1 Of Receptor Associated Protein" . . . . . 79.41 82 100.00 100.00 4.90e-48 . . . . 5598 1 6 no PDB 1OV2 . "Ensemble Of The Solution Structures Of Domain One Of Receptor Associated Protein" . . . . . 95.10 99 100.00 100.00 8.67e-61 . . . . 5598 1 7 no PDB 2FYL . "Haddock Model Of The Complex Between Double Module Of Lrp, Cr56, And First Domain Of Receptor Associated Protein, Rap- D1" . . . . . 79.41 81 100.00 100.00 5.26e-48 . . . . 5598 1 8 no PDB 2P01 . "The Structure Of Receptor-Associated Protein(Rap)" . . . . . 95.10 323 100.00 100.00 2.14e-59 . . . . 5598 1 9 no PDB 2P03 . "The Structure Of Receptor-Associated Protein(Rap)" . . . . . 95.10 323 100.00 100.00 2.14e-59 . . . . 5598 1 10 no DBJ BAD96224 . "low density lipoprotein receptor-related protein associated protein 1 variant [Homo sapiens]" . . . . . 97.06 357 98.99 98.99 2.58e-59 . . . . 5598 1 11 no DBJ BAD96247 . "low density lipoprotein receptor-related protein associated protein 1 variant [Homo sapiens]" . . . . . 97.06 357 97.98 97.98 3.53e-58 . . . . 5598 1 12 no DBJ BAF85010 . "unnamed protein product [Homo sapiens]" . . . . . 97.06 357 98.99 98.99 2.90e-59 . . . . 5598 1 13 no DBJ BAG35576 . "unnamed protein product [Homo sapiens]" . . . . . 97.06 357 98.99 98.99 2.52e-59 . . . . 5598 1 14 no DBJ BAG73353 . "low density lipoprotein receptor-related protein associated protein 1 [synthetic construct]" . . . . . 97.06 357 98.99 98.99 2.29e-59 . . . . 5598 1 15 no GB AAA51553 . "alpha-2-macroglobulin receptor-associated protein [Homo sapiens]" . . . . . 97.06 357 98.99 98.99 2.29e-59 . . . . 5598 1 16 no GB AAC67373 . "lipoprotein receptor associated protein [Homo sapiens]" . . . . . 97.06 357 98.99 98.99 2.29e-59 . . . . 5598 1 17 no GB AAI05075 . "Low density lipoprotein receptor-related protein associated protein 1 [Homo sapiens]" . . . . . 97.06 357 98.99 98.99 2.29e-59 . . . . 5598 1 18 no GB AAI12068 . "Low density lipoprotein receptor-related protein associated protein 1 [Homo sapiens]" . . . . . 97.06 357 98.99 98.99 2.29e-59 . . . . 5598 1 19 no GB AAY18903 . "lipoprotein receptor associated protein; alpha-2-macroglobulin receptor-associated protein [synthetic construct]" . . . . . 97.06 381 98.99 98.99 2.61e-59 . . . . 5598 1 20 no REF NP_001233320 . "alpha-2-macroglobulin receptor-associated protein precursor [Pan troglodytes]" . . . . . 97.06 357 98.99 98.99 1.81e-59 . . . . 5598 1 21 no REF NP_002328 . "alpha-2-macroglobulin receptor-associated protein precursor [Homo sapiens]" . . . . . 97.06 357 98.99 98.99 2.29e-59 . . . . 5598 1 22 no REF XP_003804417 . "PREDICTED: alpha-2-macroglobulin receptor-associated protein isoform X1 [Pan paniscus]" . . . . . 97.06 357 98.99 98.99 1.81e-59 . . . . 5598 1 23 no REF XP_004038406 . "PREDICTED: alpha-2-macroglobulin receptor-associated protein-like [Gorilla gorilla gorilla]" . . . . . 97.06 406 98.99 98.99 2.25e-58 . . . . 5598 1 24 no REF XP_004038407 . "PREDICTED: alpha-2-macroglobulin receptor-associated protein-like [Gorilla gorilla gorilla]" . . . . . 97.06 259 97.98 97.98 1.94e-59 . . . . 5598 1 25 no SP P30533 . "RecName: Full=Alpha-2-macroglobulin receptor-associated protein; Short=Alpha-2-MRAP; AltName: Full=Low density lipoprotein rece" . . . . . 97.06 357 98.99 98.99 2.29e-59 . . . . 5598 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RAP39, RAP' abbreviation 5598 1 'receptor associated protein, domain 1' common 5598 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5598 1 2 . SER . 5598 1 3 . TYR . 5598 1 4 . SER . 5598 1 5 . ARG . 5598 1 6 . GLU . 5598 1 7 . LYS . 5598 1 8 . ASN . 5598 1 9 . GLN . 5598 1 10 . PRO . 5598 1 11 . LYS . 5598 1 12 . PRO . 5598 1 13 . SER . 5598 1 14 . PRO . 5598 1 15 . LYS . 5598 1 16 . ARG . 5598 1 17 . GLU . 5598 1 18 . SER . 5598 1 19 . GLY . 5598 1 20 . GLU . 5598 1 21 . GLU . 5598 1 22 . PHE . 5598 1 23 . ARG . 5598 1 24 . MET . 5598 1 25 . GLU . 5598 1 26 . LYS . 5598 1 27 . LEU . 5598 1 28 . ASN . 5598 1 29 . GLN . 5598 1 30 . LEU . 5598 1 31 . TRP . 5598 1 32 . GLU . 5598 1 33 . LYS . 5598 1 34 . ALA . 5598 1 35 . GLN . 5598 1 36 . ARG . 5598 1 37 . LEU . 5598 1 38 . HIS . 5598 1 39 . LEU . 5598 1 40 . PRO . 5598 1 41 . PRO . 5598 1 42 . VAL . 5598 1 43 . ARG . 5598 1 44 . LEU . 5598 1 45 . ALA . 5598 1 46 . GLU . 5598 1 47 . LEU . 5598 1 48 . HIS . 5598 1 49 . ALA . 5598 1 50 . ASP . 5598 1 51 . LEU . 5598 1 52 . LYS . 5598 1 53 . ILE . 5598 1 54 . GLN . 5598 1 55 . GLU . 5598 1 56 . ARG . 5598 1 57 . ASP . 5598 1 58 . GLU . 5598 1 59 . LEU . 5598 1 60 . ALA . 5598 1 61 . TRP . 5598 1 62 . LYS . 5598 1 63 . LYS . 5598 1 64 . LEU . 5598 1 65 . LYS . 5598 1 66 . LEU . 5598 1 67 . ASP . 5598 1 68 . GLY . 5598 1 69 . LEU . 5598 1 70 . ASP . 5598 1 71 . GLU . 5598 1 72 . ASP . 5598 1 73 . GLY . 5598 1 74 . GLU . 5598 1 75 . LYS . 5598 1 76 . GLU . 5598 1 77 . ALA . 5598 1 78 . ARG . 5598 1 79 . LEU . 5598 1 80 . ILE . 5598 1 81 . ARG . 5598 1 82 . ASN . 5598 1 83 . LEU . 5598 1 84 . ASN . 5598 1 85 . VAL . 5598 1 86 . ILE . 5598 1 87 . LEU . 5598 1 88 . ALA . 5598 1 89 . LYS . 5598 1 90 . TYR . 5598 1 91 . GLY . 5598 1 92 . LEU . 5598 1 93 . ASP . 5598 1 94 . GLY . 5598 1 95 . LYS . 5598 1 96 . LYS . 5598 1 97 . ASP . 5598 1 98 . ALA . 5598 1 99 . ARG . 5598 1 100 . THR . 5598 1 101 . GLN . 5598 1 102 . VAL . 5598 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5598 1 . SER 2 2 5598 1 . TYR 3 3 5598 1 . SER 4 4 5598 1 . ARG 5 5 5598 1 . GLU 6 6 5598 1 . LYS 7 7 5598 1 . ASN 8 8 5598 1 . GLN 9 9 5598 1 . PRO 10 10 5598 1 . LYS 11 11 5598 1 . PRO 12 12 5598 1 . SER 13 13 5598 1 . PRO 14 14 5598 1 . LYS 15 15 5598 1 . ARG 16 16 5598 1 . GLU 17 17 5598 1 . SER 18 18 5598 1 . GLY 19 19 5598 1 . GLU 20 20 5598 1 . GLU 21 21 5598 1 . PHE 22 22 5598 1 . ARG 23 23 5598 1 . MET 24 24 5598 1 . GLU 25 25 5598 1 . LYS 26 26 5598 1 . LEU 27 27 5598 1 . ASN 28 28 5598 1 . GLN 29 29 5598 1 . LEU 30 30 5598 1 . TRP 31 31 5598 1 . GLU 32 32 5598 1 . LYS 33 33 5598 1 . ALA 34 34 5598 1 . GLN 35 35 5598 1 . ARG 36 36 5598 1 . LEU 37 37 5598 1 . HIS 38 38 5598 1 . LEU 39 39 5598 1 . PRO 40 40 5598 1 . PRO 41 41 5598 1 . VAL 42 42 5598 1 . ARG 43 43 5598 1 . LEU 44 44 5598 1 . ALA 45 45 5598 1 . GLU 46 46 5598 1 . LEU 47 47 5598 1 . HIS 48 48 5598 1 . ALA 49 49 5598 1 . ASP 50 50 5598 1 . LEU 51 51 5598 1 . LYS 52 52 5598 1 . ILE 53 53 5598 1 . GLN 54 54 5598 1 . GLU 55 55 5598 1 . ARG 56 56 5598 1 . ASP 57 57 5598 1 . GLU 58 58 5598 1 . LEU 59 59 5598 1 . ALA 60 60 5598 1 . TRP 61 61 5598 1 . LYS 62 62 5598 1 . LYS 63 63 5598 1 . LEU 64 64 5598 1 . LYS 65 65 5598 1 . LEU 66 66 5598 1 . ASP 67 67 5598 1 . GLY 68 68 5598 1 . LEU 69 69 5598 1 . ASP 70 70 5598 1 . GLU 71 71 5598 1 . ASP 72 72 5598 1 . GLY 73 73 5598 1 . GLU 74 74 5598 1 . LYS 75 75 5598 1 . GLU 76 76 5598 1 . ALA 77 77 5598 1 . ARG 78 78 5598 1 . LEU 79 79 5598 1 . ILE 80 80 5598 1 . ARG 81 81 5598 1 . ASN 82 82 5598 1 . LEU 83 83 5598 1 . ASN 84 84 5598 1 . VAL 85 85 5598 1 . ILE 86 86 5598 1 . LEU 87 87 5598 1 . ALA 88 88 5598 1 . LYS 89 89 5598 1 . TYR 90 90 5598 1 . GLY 91 91 5598 1 . LEU 92 92 5598 1 . ASP 93 93 5598 1 . GLY 94 94 5598 1 . LYS 95 95 5598 1 . LYS 96 96 5598 1 . ASP 97 97 5598 1 . ALA 98 98 5598 1 . ARG 99 99 5598 1 . THR 100 100 5598 1 . GLN 101 101 5598 1 . VAL 102 102 5598 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 5598 _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 $Domain_1_of_RAP . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5598 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 5598 _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 $Domain_1_of_RAP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5598 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5598 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'receptor associated protein, domain 1' . . . 1 $Domain_1_of_RAP . . 1.2 . . mM . . . . 5598 1 2 'sodium chloride' . . . . . . . 50 . . mM . . . . 5598 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5598 _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 pH 6.5 0 n/a 5598 1 temperature 303 0 K 5598 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 5598 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 5598 _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 unknown unknown . 0 'spectrometer information not available' . . 5598 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 5598 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5598 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5598 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5598 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5598 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_Shifts_of_D1_of_the_RAP _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Shifts_of_D1_of_the_RAP _Assigned_chem_shift_list.Entry_ID 5598 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5598 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER CA C 13 58.37 . . . . . . . . . . . 5598 1 2 . 1 1 2 2 SER HA H 1 4.48 . . . . . . . . . . . 5598 1 3 . 1 1 2 2 SER C C 13 174.11 . . . . . . . . . . . 5598 1 4 . 1 1 2 2 SER CB C 13 63.95 . . . . . . . . . . . 5598 1 5 . 1 1 2 2 SER HB2 H 1 3.82 . . . . . . . . . . . 5598 1 6 . 1 1 2 2 SER HB3 H 1 3.82 . . . . . . . . . . . 5598 1 7 . 1 1 3 3 TYR H H 1 8.35 . . . . . . . . . . . 5598 1 8 . 1 1 3 3 TYR N N 15 122.36 . . . . . . . . . . . 5598 1 9 . 1 1 3 3 TYR CA C 13 57.95 . . . . . . . . . . . 5598 1 10 . 1 1 3 3 TYR C C 13 175.76 . . . . . . . . . . . 5598 1 11 . 1 1 3 3 TYR CB C 13 38.89 . . . . . . . . . . . 5598 1 12 . 1 1 3 3 TYR CD1 C 13 133 . . . . . . . . . . . 5598 1 13 . 1 1 3 3 TYR HD1 H 1 7.11 . . . . . . . . . . . 5598 1 14 . 1 1 3 3 TYR CD2 C 13 133 . . . . . . . . . . . 5598 1 15 . 1 1 3 3 TYR HD2 H 1 7.11 . . . . . . . . . . . 5598 1 16 . 1 1 3 3 TYR CE1 C 13 118.23 . . . . . . . . . . . 5598 1 17 . 1 1 3 3 TYR HE1 H 1 6.81 . . . . . . . . . . . 5598 1 18 . 1 1 3 3 TYR CE2 C 13 118.23 . . . . . . . . . . . 5598 1 19 . 1 1 3 3 TYR HE2 H 1 6.81 . . . . . . . . . . . 5598 1 20 . 1 1 4 4 SER H H 1 8.15 . . . . . . . . . . . 5598 1 21 . 1 1 4 4 SER N N 15 117.92 . . . . . . . . . . . 5598 1 22 . 1 1 4 4 SER CA C 13 58.13 . . . . . . . . . . . 5598 1 23 . 1 1 4 4 SER C C 13 174.38 . . . . . . . . . . . 5598 1 24 . 1 1 4 4 SER CB C 13 63.95 . . . . . . . . . . . 5598 1 25 . 1 1 5 5 ARG H H 1 8.34 . . . . . . . . . . . 5598 1 26 . 1 1 5 5 ARG N N 15 123.39 . . . . . . . . . . . 5598 1 27 . 1 1 5 5 ARG CA C 13 56.7 . . . . . . . . . . . 5598 1 28 . 1 1 5 5 ARG HA H 1 4.34 . . . . . . . . . . . 5598 1 29 . 1 1 5 5 ARG C C 13 176.46 . . . . . . . . . . . 5598 1 30 . 1 1 5 5 ARG CB C 13 30.69 . . . . . . . . . . . 5598 1 31 . 1 1 5 5 ARG HB2 H 1 1.79 . . . . . . . . . . . 5598 1 32 . 1 1 5 5 ARG HB3 H 1 1.83 . . . . . . . . . . . 5598 1 33 . 1 1 5 5 ARG CG C 13 27.14 . . . . . . . . . . . 5598 1 34 . 1 1 5 5 ARG HG2 H 1 1.63 . . . . . . . . . . . 5598 1 35 . 1 1 5 5 ARG HG3 H 1 1.63 . . . . . . . . . . . 5598 1 36 . 1 1 5 5 ARG CD C 13 43.34 . . . . . . . . . . . 5598 1 37 . 1 1 5 5 ARG HD2 H 1 3.20 . . . . . . . . . . . 5598 1 38 . 1 1 5 5 ARG HD3 H 1 3.20 . . . . . . . . . . . 5598 1 39 . 1 1 6 6 GLU H H 1 8.58 . . . . . . . . . . . 5598 1 40 . 1 1 6 6 GLU N N 15 122.81 . . . . . . . . . . . 5598 1 41 . 1 1 6 6 GLU CA C 13 56.7 . . . . . . . . . . . 5598 1 42 . 1 1 6 6 GLU HA H 1 4.34 . . . . . . . . . . . 5598 1 43 . 1 1 6 6 GLU C C 13 176.54 . . . . . . . . . . . 5598 1 44 . 1 1 6 6 GLU CB C 13 30.44 . . . . . . . . . . . 5598 1 45 . 1 1 6 6 GLU HB2 H 1 1.91 . . . . . . . . . . . 5598 1 46 . 1 1 6 6 GLU HB3 H 1 2.08 . . . . . . . . . . . 5598 1 47 . 1 1 7 7 LYS H H 1 8.24 . . . . . . . . . . . 5598 1 48 . 1 1 7 7 LYS N N 15 121.61 . . . . . . . . . . . 5598 1 49 . 1 1 7 7 LYS CA C 13 56.64 . . . . . . . . . . . 5598 1 50 . 1 1 7 7 LYS HA H 1 4.27 . . . . . . . . . . . 5598 1 51 . 1 1 7 7 LYS C C 13 176.33 . . . . . . . . . . . 5598 1 52 . 1 1 7 7 LYS CB C 13 33.02 . . . . . . . . . . . 5598 1 53 . 1 1 7 7 LYS HB2 H 1 1.42 . . . . . . . . . . . 5598 1 54 . 1 1 7 7 LYS HB3 H 1 1.42 . . . . . . . . . . . 5598 1 55 . 1 1 7 7 LYS CG C 13 29.05 . . . . . . . . . . . 5598 1 56 . 1 1 7 7 LYS HG2 H 1 1.68 . . . . . . . . . . . 5598 1 57 . 1 1 7 7 LYS HG3 H 1 1.68 . . . . . . . . . . . 5598 1 58 . 1 1 7 7 LYS CD C 13 24.80 . . . . . . . . . . . 5598 1 59 . 1 1 7 7 LYS HD2 H 1 1.81 . . . . . . . . . . . 5598 1 60 . 1 1 7 7 LYS HD3 H 1 1.81 . . . . . . . . . . . 5598 1 61 . 1 1 7 7 LYS CE C 13 42.17 . . . . . . . . . . . 5598 1 62 . 1 1 7 7 LYS HE2 H 1 2.99 . . . . . . . . . . . 5598 1 63 . 1 1 7 7 LYS HE3 H 1 2.99 . . . . . . . . . . . 5598 1 64 . 1 1 8 8 ASN H H 1 8.37 . . . . . . . . . . . 5598 1 65 . 1 1 8 8 ASN N N 15 119.09 . . . . . . . . . . . 5598 1 66 . 1 1 8 8 ASN CA C 13 53.49 . . . . . . . . . . . 5598 1 67 . 1 1 8 8 ASN HA H 1 4.62 . . . . . . . . . . . 5598 1 68 . 1 1 8 8 ASN C C 13 174.64 . . . . . . . . . . . 5598 1 69 . 1 1 8 8 ASN CB C 13 39.01 . . . . . . . . . . . 5598 1 70 . 1 1 8 8 ASN HB2 H 1 2.8 . . . . . . . . . . . 5598 1 71 . 1 1 8 8 ASN HB3 H 1 2.8 . . . . . . . . . . . 5598 1 72 . 1 1 9 9 GLN H H 1 7.71 . . . . . . . . . . . 5598 1 73 . 1 1 9 9 GLN N N 15 117.8 . . . . . . . . . . . 5598 1 74 . 1 1 9 9 GLN CA C 13 53.4 . . . . . . . . . . . 5598 1 75 . 1 1 9 9 GLN HA H 1 4.43 . . . . . . . . . . . 5598 1 76 . 1 1 9 9 GLN C C 13 173.78 . . . . . . . . . . . 5598 1 77 . 1 1 9 9 GLN CB C 13 30.0 . . . . . . . . . . . 5598 1 78 . 1 1 10 10 PRO CA C 13 63.05 . . . . . . . . . . . 5598 1 79 . 1 1 10 10 PRO HA H 1 4.43 . . . . . . . . . . . 5598 1 80 . 1 1 10 10 PRO C C 13 176.57 . . . . . . . . . . . 5598 1 81 . 1 1 10 10 PRO CB C 13 32.15 . . . . . . . . . . . 5598 1 82 . 1 1 10 10 PRO HB2 H 1 1.88 . . . . . . . . . . . 5598 1 83 . 1 1 10 10 PRO HB3 H 1 2.01 . . . . . . . . . . . 5598 1 84 . 1 1 10 10 PRO CG C 13 27.34 . . . . . . . . . . . 5598 1 85 . 1 1 10 10 PRO HG2 H 1 2.28 . . . . . . . . . . . 5598 1 86 . 1 1 10 10 PRO HG3 H 1 2.28 . . . . . . . . . . . 5598 1 87 . 1 1 10 10 PRO CD C 13 50.63 . . . . . . . . . . . 5598 1 88 . 1 1 10 10 PRO HD2 H 1 3.65 . . . . . . . . . . . 5598 1 89 . 1 1 10 10 PRO HD3 H 1 3.78 . . . . . . . . . . . 5598 1 90 . 1 1 11 11 LYS H H 1 8.4 . . . . . . . . . . . 5598 1 91 . 1 1 11 11 LYS N N 15 122.95 . . . . . . . . . . . 5598 1 92 . 1 1 11 11 LYS CA C 13 54.25 . . . . . . . . . . . 5598 1 93 . 1 1 11 11 LYS HA H 1 4.57 . . . . . . . . . . . 5598 1 94 . 1 1 11 11 LYS C C 13 174.55 . . . . . . . . . . . 5598 1 95 . 1 1 11 11 LYS CB C 13 32.53 . . . . . . . . . . . 5598 1 96 . 1 1 12 12 PRO CA C 13 62.89 . . . . . . . . . . . 5598 1 97 . 1 1 12 12 PRO HA H 1 4.44 . . . . . . . . . . . 5598 1 98 . 1 1 12 12 PRO C C 13 176.68 . . . . . . . . . . . 5598 1 99 . 1 1 12 12 PRO CB C 13 32.24 . . . . . . . . . . . 5598 1 100 . 1 1 12 12 PRO HB2 H 1 1.88 . . . . . . . . . . . 5598 1 101 . 1 1 12 12 PRO HB3 H 1 2.27 . . . . . . . . . . . 5598 1 102 . 1 1 12 12 PRO CG C 13 27.42 . . . . . . . . . . . 5598 1 103 . 1 1 12 12 PRO HG2 H 1 2.02 . . . . . . . . . . . 5598 1 104 . 1 1 12 12 PRO HG3 H 1 2.02 . . . . . . . . . . . 5598 1 105 . 1 1 12 12 PRO CD C 13 50.62 . . . . . . . . . . . 5598 1 106 . 1 1 12 12 PRO HD2 H 1 3.63 . . . . . . . . . . . 5598 1 107 . 1 1 12 12 PRO HD3 H 1 3.82 . . . . . . . . . . . 5598 1 108 . 1 1 13 13 SER H H 1 8.44 . . . . . . . . . . . 5598 1 109 . 1 1 13 13 SER N N 15 118.11 . . . . . . . . . . . 5598 1 110 . 1 1 13 13 SER CA C 13 56.47 . . . . . . . . . . . 5598 1 111 . 1 1 13 13 SER HA H 1 4.45 . . . . . . . . . . . 5598 1 112 . 1 1 13 13 SER C C 13 176.68 . . . . . . . . . . . 5598 1 113 . 1 1 13 13 SER CB C 13 63.55 . . . . . . . . . . . 5598 1 114 . 1 1 14 14 PRO CA C 13 63.2 . . . . . . . . . . . 5598 1 115 . 1 1 14 14 PRO HA H 1 4.43 . . . . . . . . . . . 5598 1 116 . 1 1 14 14 PRO C C 13 176.71 . . . . . . . . . . . 5598 1 117 . 1 1 14 14 PRO CB C 13 32.21 . . . . . . . . . . . 5598 1 118 . 1 1 14 14 PRO HB2 H 1 1.9 . . . . . . . . . . . 5598 1 119 . 1 1 14 14 PRO HB3 H 1 2.29 . . . . . . . . . . . 5598 1 120 . 1 1 14 14 PRO CG C 13 27.35 . . . . . . . . . . . 5598 1 121 . 1 1 14 14 PRO HG2 H 1 2.01 . . . . . . . . . . . 5598 1 122 . 1 1 14 14 PRO HG3 H 1 2.01 . . . . . . . . . . . 5598 1 123 . 1 1 14 14 PRO CD C 13 50.76 . . . . . . . . . . . 5598 1 124 . 1 1 14 14 PRO HD2 H 1 3.72 . . . . . . . . . . . 5598 1 125 . 1 1 14 14 PRO HD3 H 1 3.83 . . . . . . . . . . . 5598 1 126 . 1 1 15 15 LYS H H 1 8.3 . . . . . . . . . . . 5598 1 127 . 1 1 15 15 LYS N N 15 121.86 . . . . . . . . . . . 5598 1 128 . 1 1 15 15 LYS CA C 13 56.36 . . . . . . . . . . . 5598 1 129 . 1 1 15 15 LYS HA H 1 4.29 . . . . . . . . . . . 5598 1 130 . 1 1 15 15 LYS C C 13 176.47 . . . . . . . . . . . 5598 1 131 . 1 1 15 15 LYS CB C 13 33.14 . . . . . . . . . . . 5598 1 132 . 1 1 15 15 LYS HB2 H 1 1.73 . . . . . . . . . . . 5598 1 133 . 1 1 15 15 LYS HB3 H 1 1.81 . . . . . . . . . . . 5598 1 134 . 1 1 15 15 LYS CG C 13 24.71 . . . . . . . . . . . 5598 1 135 . 1 1 15 15 LYS HG2 H 1 1.40 . . . . . . . . . . . 5598 1 136 . 1 1 15 15 LYS HG3 H 1 1.40 . . . . . . . . . . . 5598 1 137 . 1 1 15 15 LYS CD C 13 29.09 . . . . . . . . . . . 5598 1 138 . 1 1 15 15 LYS HD2 H 1 1.67 . . . . . . . . . . . 5598 1 139 . 1 1 15 15 LYS HD3 H 1 1.67 . . . . . . . . . . . 5598 1 140 . 1 1 15 15 LYS CE C 13 42.18 . . . . . . . . . . . 5598 1 141 . 1 1 15 15 LYS HE2 H 1 2.98 . . . . . . . . . . . 5598 1 142 . 1 1 15 15 LYS HE3 H 1 2.98 . . . . . . . . . . . 5598 1 143 . 1 1 16 16 ARG H H 1 8.39 . . . . . . . . . . . 5598 1 144 . 1 1 16 16 ARG N N 15 123.3 . . . . . . . . . . . 5598 1 145 . 1 1 16 16 ARG CA C 13 56.61 . . . . . . . . . . . 5598 1 146 . 1 1 16 16 ARG HA H 1 4.31 . . . . . . . . . . . 5598 1 147 . 1 1 16 16 ARG C C 13 176.45 . . . . . . . . . . . 5598 1 148 . 1 1 16 16 ARG CB C 13 30.69 . . . . . . . . . . . 5598 1 149 . 1 1 16 16 ARG HB2 H 1 1.78 . . . . . . . . . . . 5598 1 150 . 1 1 16 16 ARG HB3 H 1 1.9 . . . . . . . . . . . 5598 1 151 . 1 1 16 16 ARG CG C 13 27.31 . . . . . . . . . . . 5598 1 152 . 1 1 16 16 ARG HG2 H 1 1.65 . . . . . . . . . . . 5598 1 153 . 1 1 16 16 ARG HG3 H 1 1.65 . . . . . . . . . . . 5598 1 154 . 1 1 16 16 ARG CD C 13 43.38 . . . . . . . . . . . 5598 1 155 . 1 1 16 16 ARG HD2 H 1 3.21 . . . . . . . . . . . 5598 1 156 . 1 1 16 16 ARG HD3 H 1 3.21 . . . . . . . . . . . 5598 1 157 . 1 1 17 17 GLU H H 1 8.35 . . . . . . . . . . . 5598 1 158 . 1 1 17 17 GLU N N 15 121.23 . . . . . . . . . . . 5598 1 159 . 1 1 17 17 GLU CA C 13 56.8 . . . . . . . . . . . 5598 1 160 . 1 1 17 17 GLU HA H 1 4.24 . . . . . . . . . . . 5598 1 161 . 1 1 17 17 GLU C C 13 176.64 . . . . . . . . . . . 5598 1 162 . 1 1 17 17 GLU CB C 13 30.15 . . . . . . . . . . . 5598 1 163 . 1 1 17 17 GLU HB2 H 1 1.93 . . . . . . . . . . . 5598 1 164 . 1 1 17 17 GLU HB3 H 1 2.09 . . . . . . . . . . . 5598 1 165 . 1 1 17 17 GLU CG C 13 36.63 . . . . . . . . . . . 5598 1 166 . 1 1 17 17 GLU HG2 H 1 2.27 . . . . . . . . . . . 5598 1 167 . 1 1 17 17 GLU HG3 H 1 2.27 . . . . . . . . . . . 5598 1 168 . 1 1 18 18 SER H H 1 8.37 . . . . . . . . . . . 5598 1 169 . 1 1 18 18 SER N N 15 116.33 . . . . . . . . . . . 5598 1 170 . 1 1 18 18 SER CA C 13 58.56 . . . . . . . . . . . 5598 1 171 . 1 1 18 18 SER HA H 1 4.44 . . . . . . . . . . . 5598 1 172 . 1 1 18 18 SER C C 13 174.95 . . . . . . . . . . . 5598 1 173 . 1 1 18 18 SER CB C 13 63.89 . . . . . . . . . . . 5598 1 174 . 1 1 18 18 SER HB2 H 1 3.86 . . . . . . . . . . . 5598 1 175 . 1 1 18 18 SER HB3 H 1 3.91 . . . . . . . . . . . 5598 1 176 . 1 1 19 19 GLY H H 1 8.38 . . . . . . . . . . . 5598 1 177 . 1 1 19 19 GLY N N 15 110.67 . . . . . . . . . . . 5598 1 178 . 1 1 19 19 GLY CA C 13 45.33 . . . . . . . . . . . 5598 1 179 . 1 1 19 19 GLY HA2 H 1 3.95 . . . . . . . . . . . 5598 1 180 . 1 1 19 19 GLY HA3 H 1 3.99 . . . . . . . . . . . 5598 1 181 . 1 1 19 19 GLY C C 13 173.94 . . . . . . . . . . . 5598 1 182 . 1 1 20 20 GLU H H 1 8.18 . . . . . . . . . . . 5598 1 183 . 1 1 20 20 GLU N N 15 120.18 . . . . . . . . . . . 5598 1 184 . 1 1 20 20 GLU CA C 13 56.05 . . . . . . . . . . . 5598 1 185 . 1 1 20 20 GLU HA H 1 4.35 . . . . . . . . . . . 5598 1 186 . 1 1 20 20 GLU C C 13 176.42 . . . . . . . . . . . 5598 1 187 . 1 1 20 20 GLU CB C 13 30.92 . . . . . . . . . . . 5598 1 188 . 1 1 20 20 GLU HB2 H 1 2.09 . . . . . . . . . . . 5598 1 189 . 1 1 20 20 GLU HB3 H 1 2.09 . . . . . . . . . . . 5598 1 190 . 1 1 20 20 GLU CG C 13 36.41 . . . . . . . . . . . 5598 1 191 . 1 1 20 20 GLU HG2 H 1 2.22 . . . . . . . . . . . 5598 1 192 . 1 1 20 20 GLU HG3 H 1 2.22 . . . . . . . . . . . 5598 1 193 . 1 1 21 21 GLU H H 1 8.51 . . . . . . . . . . . 5598 1 194 . 1 1 21 21 GLU N N 15 123.14 . . . . . . . . . . . 5598 1 195 . 1 1 21 21 GLU CA C 13 57.74 . . . . . . . . . . . 5598 1 196 . 1 1 21 21 GLU HA H 1 3.81 . . . . . . . . . . . 5598 1 197 . 1 1 21 21 GLU C C 13 175.81 . . . . . . . . . . . 5598 1 198 . 1 1 21 21 GLU CB C 13 30.39 . . . . . . . . . . . 5598 1 199 . 1 1 21 21 GLU HB2 H 1 1.83 . . . . . . . . . . . 5598 1 200 . 1 1 21 21 GLU HB3 H 1 1.52 . . . . . . . . . . . 5598 1 201 . 1 1 21 21 GLU CG C 13 35.36 . . . . . . . . . . . 5598 1 202 . 1 1 21 21 GLU HG2 H 1 1.45 . . . . . . . . . . . 5598 1 203 . 1 1 21 21 GLU HG3 H 1 1.72 . . . . . . . . . . . 5598 1 204 . 1 1 22 22 PHE H H 1 8.61 . . . . . . . . . . . 5598 1 205 . 1 1 22 22 PHE N N 15 115.62 . . . . . . . . . . . 5598 1 206 . 1 1 22 22 PHE CA C 13 56.7 . . . . . . . . . . . 5598 1 207 . 1 1 22 22 PHE HA H 1 4.65 . . . . . . . . . . . 5598 1 208 . 1 1 22 22 PHE C C 13 176.34 . . . . . . . . . . . 5598 1 209 . 1 1 22 22 PHE CB C 13 41.59 . . . . . . . . . . . 5598 1 210 . 1 1 22 22 PHE HB2 H 1 2.6 . . . . . . . . . . . 5598 1 211 . 1 1 22 22 PHE HB3 H 1 3.17 . . . . . . . . . . . 5598 1 212 . 1 1 22 22 PHE CD1 C 13 131.89 . . . . . . . . . . . 5598 1 213 . 1 1 22 22 PHE HD1 H 1 7.05 . . . . . . . . . . . 5598 1 214 . 1 1 22 22 PHE CD2 C 13 131.89 . . . . . . . . . . . 5598 1 215 . 1 1 22 22 PHE HD2 H 1 7.05 . . . . . . . . . . . 5598 1 216 . 1 1 22 22 PHE CE1 C 13 130.55 . . . . . . . . . . . 5598 1 217 . 1 1 22 22 PHE HE1 H 1 6.36 . . . . . . . . . . . 5598 1 218 . 1 1 22 22 PHE CE2 C 13 130.55 . . . . . . . . . . . 5598 1 219 . 1 1 22 22 PHE HE2 H 1 6.36 . . . . . . . . . . . 5598 1 220 . 1 1 22 22 PHE CZ C 13 129.41 . . . . . . . . . . . 5598 1 221 . 1 1 22 22 PHE HZ H 1 6.01 . . . . . . . . . . . 5598 1 222 . 1 1 23 23 ARG H H 1 10.01 . . . . . . . . . . . 5598 1 223 . 1 1 23 23 ARG N N 15 120.87 . . . . . . . . . . . 5598 1 224 . 1 1 23 23 ARG CA C 13 56.89 . . . . . . . . . . . 5598 1 225 . 1 1 23 23 ARG HA H 1 4.25 . . . . . . . . . . . 5598 1 226 . 1 1 23 23 ARG C C 13 176.42 . . . . . . . . . . . 5598 1 227 . 1 1 23 23 ARG CB C 13 30.77 . . . . . . . . . . . 5598 1 228 . 1 1 23 23 ARG HB2 H 1 1.73 . . . . . . . . . . . 5598 1 229 . 1 1 23 23 ARG HB3 H 1 2.09 . . . . . . . . . . . 5598 1 230 . 1 1 23 23 ARG CG C 13 27.47 . . . . . . . . . . . 5598 1 231 . 1 1 23 23 ARG HG2 H 1 1.75 . . . . . . . . . . . 5598 1 232 . 1 1 23 23 ARG HG3 H 1 1.75 . . . . . . . . . . . 5598 1 233 . 1 1 23 23 ARG CD C 13 43.35 . . . . . . . . . . . 5598 1 234 . 1 1 23 23 ARG HD2 H 1 3.17 . . . . . . . . . . . 5598 1 235 . 1 1 23 23 ARG HD3 H 1 3.17 . . . . . . . . . . . 5598 1 236 . 1 1 24 24 MET H H 1 7.23 . . . . . . . . . . . 5598 1 237 . 1 1 24 24 MET N N 15 115.31 . . . . . . . . . . . 5598 1 238 . 1 1 24 24 MET CA C 13 54.47 . . . . . . . . . . . 5598 1 239 . 1 1 24 24 MET HA H 1 4.8 . . . . . . . . . . . 5598 1 240 . 1 1 24 24 MET C C 13 176.36 . . . . . . . . . . . 5598 1 241 . 1 1 24 24 MET CB C 13 34.46 . . . . . . . . . . . 5598 1 242 . 1 1 24 24 MET HB2 H 1 2.3 . . . . . . . . . . . 5598 1 243 . 1 1 24 24 MET HB3 H 1 1.85 . . . . . . . . . . . 5598 1 244 . 1 1 24 24 MET CG C 13 32.55 . . . . . . . . . . . 5598 1 245 . 1 1 24 24 MET HG2 H 1 2.68 . . . . . . . . . . . 5598 1 246 . 1 1 24 24 MET HG3 H 1 2.72 . . . . . . . . . . . 5598 1 247 . 1 1 25 25 GLU H H 1 7.71 . . . . . . . . . . . 5598 1 248 . 1 1 25 25 GLU N N 15 117.9 . . . . . . . . . . . 5598 1 249 . 1 1 25 25 GLU CA C 13 60.2 . . . . . . . . . . . 5598 1 250 . 1 1 25 25 GLU HA H 1 4.23 . . . . . . . . . . . 5598 1 251 . 1 1 25 25 GLU C C 13 178.43 . . . . . . . . . . . 5598 1 252 . 1 1 25 25 GLU CB C 13 29.59 . . . . . . . . . . . 5598 1 253 . 1 1 25 25 GLU HB2 H 1 2.07 . . . . . . . . . . . 5598 1 254 . 1 1 25 25 GLU HB3 H 1 2.2 . . . . . . . . . . . 5598 1 255 . 1 1 25 25 GLU CG C 13 35.90 . . . . . . . . . . . 5598 1 256 . 1 1 25 25 GLU HG2 H 1 2.14 . . . . . . . . . . . 5598 1 257 . 1 1 25 25 GLU HG3 H 1 2.37 . . . . . . . . . . . 5598 1 258 . 1 1 26 26 LYS H H 1 9.05 . . . . . . . . . . . 5598 1 259 . 1 1 26 26 LYS N N 15 117.12 . . . . . . . . . . . 5598 1 260 . 1 1 26 26 LYS CA C 13 59.12 . . . . . . . . . . . 5598 1 261 . 1 1 26 26 LYS HA H 1 4.14 . . . . . . . . . . . 5598 1 262 . 1 1 26 26 LYS C C 13 178.57 . . . . . . . . . . . 5598 1 263 . 1 1 26 26 LYS CB C 13 31.61 . . . . . . . . . . . 5598 1 264 . 1 1 26 26 LYS HB2 H 1 1.76 . . . . . . . . . . . 5598 1 265 . 1 1 26 26 LYS HB3 H 1 1.94 . . . . . . . . . . . 5598 1 266 . 1 1 26 26 LYS CG C 13 24.66 . . . . . . . . . . . 5598 1 267 . 1 1 26 26 LYS HG2 H 1 1.35 . . . . . . . . . . . 5598 1 268 . 1 1 26 26 LYS HG3 H 1 1.35 . . . . . . . . . . . 5598 1 269 . 1 1 26 26 LYS CD C 13 29.16 . . . . . . . . . . . 5598 1 270 . 1 1 26 26 LYS HD2 H 1 1.70 . . . . . . . . . . . 5598 1 271 . 1 1 26 26 LYS HD3 H 1 1.70 . . . . . . . . . . . 5598 1 272 . 1 1 26 26 LYS CE C 13 41.74 . . . . . . . . . . . 5598 1 273 . 1 1 26 26 LYS HE2 H 1 2.85 . . . . . . . . . . . 5598 1 274 . 1 1 26 26 LYS HE3 H 1 2.85 . . . . . . . . . . . 5598 1 275 . 1 1 27 27 LEU H H 1 6.89 . . . . . . . . . . . 5598 1 276 . 1 1 27 27 LEU N N 15 115.44 . . . . . . . . . . . 5598 1 277 . 1 1 27 27 LEU CA C 13 56.74 . . . . . . . . . . . 5598 1 278 . 1 1 27 27 LEU HA H 1 4.04 . . . . . . . . . . . 5598 1 279 . 1 1 27 27 LEU C C 13 178.09 . . . . . . . . . . . 5598 1 280 . 1 1 27 27 LEU CB C 13 39.34 . . . . . . . . . . . 5598 1 281 . 1 1 27 27 LEU HB2 H 1 0.72 . . . . . . . . . . . 5598 1 282 . 1 1 27 27 LEU HB3 H 1 1.72 . . . . . . . . . . . 5598 1 283 . 1 1 27 27 LEU CG C 13 27.38 . . . . . . . . . . . 5598 1 284 . 1 1 27 27 LEU CD1 C 13 25.63 . . . . . . . . . . . 5598 1 285 . 1 1 27 27 LEU HD11 H 1 0.88 . . . . . . . . . . . 5598 1 286 . 1 1 27 27 LEU HD12 H 1 0.88 . . . . . . . . . . . 5598 1 287 . 1 1 27 27 LEU HD13 H 1 0.88 . . . . . . . . . . . 5598 1 288 . 1 1 27 27 LEU CD2 C 13 21.91 . . . . . . . . . . . 5598 1 289 . 1 1 27 27 LEU HD21 H 1 0.66 . . . . . . . . . . . 5598 1 290 . 1 1 27 27 LEU HD22 H 1 0.66 . . . . . . . . . . . 5598 1 291 . 1 1 27 27 LEU HD23 H 1 0.66 . . . . . . . . . . . 5598 1 292 . 1 1 27 27 LEU HG H 1 1.62 . . . . . . . . . . . 5598 1 293 . 1 1 28 28 ASN H H 1 7.72 . . . . . . . . . . . 5598 1 294 . 1 1 28 28 ASN N N 15 118.11 . . . . . . . . . . . 5598 1 295 . 1 1 28 28 ASN CA C 13 57.55 . . . . . . . . . . . 5598 1 296 . 1 1 28 28 ASN HA H 1 4.81 . . . . . . . . . . . 5598 1 297 . 1 1 28 28 ASN C C 13 178.27 . . . . . . . . . . . 5598 1 298 . 1 1 28 28 ASN CB C 13 38.43 . . . . . . . . . . . 5598 1 299 . 1 1 28 28 ASN HB2 H 1 3.0 . . . . . . . . . . . 5598 1 300 . 1 1 28 28 ASN HB3 H 1 3.03 . . . . . . . . . . . 5598 1 301 . 1 1 28 28 ASN ND2 N 15 115.48 . . . . . . . . . . . 5598 1 302 . 1 1 28 28 ASN HD21 H 1 7.49 . . . . . . . . . . . 5598 1 303 . 1 1 28 28 ASN HD22 H 1 7.10 . . . . . . . . . . . 5598 1 304 . 1 1 29 29 GLN H H 1 8.49 . . . . . . . . . . . 5598 1 305 . 1 1 29 29 GLN N N 15 118.55 . . . . . . . . . . . 5598 1 306 . 1 1 29 29 GLN CA C 13 59.16 . . . . . . . . . . . 5598 1 307 . 1 1 29 29 GLN HA H 1 4.16 . . . . . . . . . . . 5598 1 308 . 1 1 29 29 GLN C C 13 179.36 . . . . . . . . . . . 5598 1 309 . 1 1 29 29 GLN CB C 13 28.24 . . . . . . . . . . . 5598 1 310 . 1 1 29 29 GLN HB2 H 1 2.1 . . . . . . . . . . . 5598 1 311 . 1 1 29 29 GLN HB3 H 1 2.21 . . . . . . . . . . . 5598 1 312 . 1 1 29 29 GLN CG C 13 34.18 . . . . . . . . . . . 5598 1 313 . 1 1 29 29 GLN HG2 H 1 2.65 . . . . . . . . . . . 5598 1 314 . 1 1 29 29 GLN HG3 H 1 2.45 . . . . . . . . . . . 5598 1 315 . 1 1 29 29 GLN NE2 N 15 111.65 . . . . . . . . . . . 5598 1 316 . 1 1 29 29 GLN HE21 H 1 6.80 . . . . . . . . . . . 5598 1 317 . 1 1 29 29 GLN HE22 H 1 7.66 . . . . . . . . . . . 5598 1 318 . 1 1 30 30 LEU H H 1 7.47 . . . . . . . . . . . 5598 1 319 . 1 1 30 30 LEU N N 15 120.85 . . . . . . . . . . . 5598 1 320 . 1 1 30 30 LEU CA C 13 58.08 . . . . . . . . . . . 5598 1 321 . 1 1 30 30 LEU HA H 1 4.11 . . . . . . . . . . . 5598 1 322 . 1 1 30 30 LEU C C 13 177.77 . . . . . . . . . . . 5598 1 323 . 1 1 30 30 LEU CB C 13 42.3 . . . . . . . . . . . 5598 1 324 . 1 1 30 30 LEU HB2 H 1 1.38 . . . . . . . . . . . 5598 1 325 . 1 1 30 30 LEU HB3 H 1 1.98 . . . . . . . . . . . 5598 1 326 . 1 1 30 30 LEU CD1 C 13 23.56 . . . . . . . . . . . 5598 1 327 . 1 1 30 30 LEU HD11 H 1 0.91 . . . . . . . . . . . 5598 1 328 . 1 1 30 30 LEU HD12 H 1 0.91 . . . . . . . . . . . 5598 1 329 . 1 1 30 30 LEU HD13 H 1 0.91 . . . . . . . . . . . 5598 1 330 . 1 1 30 30 LEU CD2 C 13 23.56 . . . . . . . . . . . 5598 1 331 . 1 1 30 30 LEU HD21 H 1 0.91 . . . . . . . . . . . 5598 1 332 . 1 1 30 30 LEU HD22 H 1 0.91 . . . . . . . . . . . 5598 1 333 . 1 1 30 30 LEU HD23 H 1 0.91 . . . . . . . . . . . 5598 1 334 . 1 1 30 30 LEU HG H 1 1.38 . . . . . . . . . . . 5598 1 335 . 1 1 31 31 TRP H H 1 8.21 . . . . . . . . . . . 5598 1 336 . 1 1 31 31 TRP N N 15 120.47 . . . . . . . . . . . 5598 1 337 . 1 1 31 31 TRP CA C 13 58.7 . . . . . . . . . . . 5598 1 338 . 1 1 31 31 TRP HA H 1 4.5 . . . . . . . . . . . 5598 1 339 . 1 1 31 31 TRP C C 13 178.01 . . . . . . . . . . . 5598 1 340 . 1 1 31 31 TRP CB C 13 30.85 . . . . . . . . . . . 5598 1 341 . 1 1 31 31 TRP HB2 H 1 3.66 . . . . . . . . . . . 5598 1 342 . 1 1 31 31 TRP HB3 H 1 3.34 . . . . . . . . . . . 5598 1 343 . 1 1 31 31 TRP CD1 C 13 127.91 . . . . . . . . . . . 5598 1 344 . 1 1 31 31 TRP HD1 H 1 7.55 . . . . . . . . . . . 5598 1 345 . 1 1 31 31 TRP NE1 N 15 129.85 . . . . . . . . . . . 5598 1 346 . 1 1 31 31 TRP HE1 H 1 10.36 . . . . . . . . . . . 5598 1 347 . 1 1 31 31 TRP CE3 C 13 120.16 . . . . . . . . . . . 5598 1 348 . 1 1 31 31 TRP HE3 H 1 7.38 . . . . . . . . . . . 5598 1 349 . 1 1 31 31 TRP CZ2 C 13 115.04 . . . . . . . . . . . 5598 1 350 . 1 1 31 31 TRP HZ2 H 1 7.52 . . . . . . . . . . . 5598 1 351 . 1 1 31 31 TRP CZ3 C 13 121.74 . . . . . . . . . . . 5598 1 352 . 1 1 31 31 TRP HZ3 H 1 7.29 . . . . . . . . . . . 5598 1 353 . 1 1 31 31 TRP CH2 C 13 125.34 . . . . . . . . . . . 5598 1 354 . 1 1 31 31 TRP HH2 H 1 7.27 . . . . . . . . . . . 5598 1 355 . 1 1 32 32 GLU H H 1 8.35 . . . . . . . . . . . 5598 1 356 . 1 1 32 32 GLU N N 15 118.27 . . . . . . . . . . . 5598 1 357 . 1 1 32 32 GLU CA C 13 59.69 . . . . . . . . . . . 5598 1 358 . 1 1 32 32 GLU HA H 1 3.88 . . . . . . . . . . . 5598 1 359 . 1 1 32 32 GLU C C 13 179.54 . . . . . . . . . . . 5598 1 360 . 1 1 32 32 GLU CB C 13 29.35 . . . . . . . . . . . 5598 1 361 . 1 1 32 32 GLU HB2 H 1 2.09 . . . . . . . . . . . 5598 1 362 . 1 1 32 32 GLU HB3 H 1 2.18 . . . . . . . . . . . 5598 1 363 . 1 1 32 32 GLU CG C 13 36.39 . . . . . . . . . . . 5598 1 364 . 1 1 32 32 GLU HG2 H 1 2.31 . . . . . . . . . . . 5598 1 365 . 1 1 32 32 GLU HG3 H 1 2.49 . . . . . . . . . . . 5598 1 366 . 1 1 33 33 LYS H H 1 7.97 . . . . . . . . . . . 5598 1 367 . 1 1 33 33 LYS N N 15 120.54 . . . . . . . . . . . 5598 1 368 . 1 1 33 33 LYS CA C 13 59.6 . . . . . . . . . . . 5598 1 369 . 1 1 33 33 LYS HA H 1 3.86 . . . . . . . . . . . 5598 1 370 . 1 1 33 33 LYS C C 13 178.66 . . . . . . . . . . . 5598 1 371 . 1 1 33 33 LYS CB C 13 32.51 . . . . . . . . . . . 5598 1 372 . 1 1 33 33 LYS HB2 H 1 2.0 . . . . . . . . . . . 5598 1 373 . 1 1 33 33 LYS HB3 H 1 2.0 . . . . . . . . . . . 5598 1 374 . 1 1 33 33 LYS CG C 13 25.42 . . . . . . . . . . . 5598 1 375 . 1 1 33 33 LYS HG2 H 1 1.37 . . . . . . . . . . . 5598 1 376 . 1 1 33 33 LYS HG3 H 1 1.53 . . . . . . . . . . . 5598 1 377 . 1 1 33 33 LYS CD C 13 29.80 . . . . . . . . . . . 5598 1 378 . 1 1 33 33 LYS HD2 H 1 1.70 . . . . . . . . . . . 5598 1 379 . 1 1 33 33 LYS HD3 H 1 1.70 . . . . . . . . . . . 5598 1 380 . 1 1 33 33 LYS CE C 13 42.26 . . . . . . . . . . . 5598 1 381 . 1 1 33 33 LYS HE2 H 1 2.96 . . . . . . . . . . . 5598 1 382 . 1 1 33 33 LYS HE3 H 1 2.96 . . . . . . . . . . . 5598 1 383 . 1 1 34 34 ALA H H 1 8.23 . . . . . . . . . . . 5598 1 384 . 1 1 34 34 ALA N N 15 120.15 . . . . . . . . . . . 5598 1 385 . 1 1 34 34 ALA CA C 13 54.82 . . . . . . . . . . . 5598 1 386 . 1 1 34 34 ALA HA H 1 3.75 . . . . . . . . . . . 5598 1 387 . 1 1 34 34 ALA C C 13 179.18 . . . . . . . . . . . 5598 1 388 . 1 1 34 34 ALA CB C 13 19.02 . . . . . . . . . . . 5598 1 389 . 1 1 34 34 ALA HB1 H 1 1.22 . . . . . . . . . . . 5598 1 390 . 1 1 34 34 ALA HB2 H 1 1.22 . . . . . . . . . . . 5598 1 391 . 1 1 34 34 ALA HB3 H 1 1.22 . . . . . . . . . . . 5598 1 392 . 1 1 35 35 GLN H H 1 7.34 . . . . . . . . . . . 5598 1 393 . 1 1 35 35 GLN N N 15 113.92 . . . . . . . . . . . 5598 1 394 . 1 1 35 35 GLN CA C 13 58.12 . . . . . . . . . . . 5598 1 395 . 1 1 35 35 GLN HA H 1 3.73 . . . . . . . . . . . 5598 1 396 . 1 1 35 35 GLN C C 13 178.96 . . . . . . . . . . . 5598 1 397 . 1 1 35 35 GLN CB C 13 28.86 . . . . . . . . . . . 5598 1 398 . 1 1 35 35 GLN HB2 H 1 2.03 . . . . . . . . . . . 5598 1 399 . 1 1 35 35 GLN HB3 H 1 1.87 . . . . . . . . . . . 5598 1 400 . 1 1 35 35 GLN CG C 13 33.87 . . . . . . . . . . . 5598 1 401 . 1 1 35 35 GLN HG2 H 1 1.82 . . . . . . . . . . . 5598 1 402 . 1 1 35 35 GLN HG3 H 1 1.82 . . . . . . . . . . . 5598 1 403 . 1 1 35 35 GLN NE2 N 15 110.28 . . . . . . . . . . . 5598 1 404 . 1 1 35 35 GLN HE21 H 1 5.62 . . . . . . . . . . . 5598 1 405 . 1 1 35 35 GLN HE22 H 1 5.83 . . . . . . . . . . . 5598 1 406 . 1 1 36 36 ARG H H 1 7.7 . . . . . . . . . . . 5598 1 407 . 1 1 36 36 ARG N N 15 118.95 . . . . . . . . . . . 5598 1 408 . 1 1 36 36 ARG CA C 13 57.62 . . . . . . . . . . . 5598 1 409 . 1 1 36 36 ARG HA H 1 4.08 . . . . . . . . . . . 5598 1 410 . 1 1 36 36 ARG C C 13 177.25 . . . . . . . . . . . 5598 1 411 . 1 1 36 36 ARG CB C 13 30.13 . . . . . . . . . . . 5598 1 412 . 1 1 36 36 ARG HB2 H 1 1.88 . . . . . . . . . . . 5598 1 413 . 1 1 36 36 ARG HB3 H 1 1.91 . . . . . . . . . . . 5598 1 414 . 1 1 36 36 ARG CG C 13 27.75 . . . . . . . . . . . 5598 1 415 . 1 1 36 36 ARG HG2 H 1 1.64 . . . . . . . . . . . 5598 1 416 . 1 1 36 36 ARG HG3 H 1 1.75 . . . . . . . . . . . 5598 1 417 . 1 1 36 36 ARG CD C 13 43.49 . . . . . . . . . . . 5598 1 418 . 1 1 36 36 ARG HD2 H 1 3.19 . . . . . . . . . . . 5598 1 419 . 1 1 36 36 ARG HD3 H 1 3.19 . . . . . . . . . . . 5598 1 420 . 1 1 37 37 LEU H H 1 7.37 . . . . . . . . . . . 5598 1 421 . 1 1 37 37 LEU N N 15 118.0 . . . . . . . . . . . 5598 1 422 . 1 1 37 37 LEU CA C 13 55.01 . . . . . . . . . . . 5598 1 423 . 1 1 37 37 LEU HA H 1 4.2 . . . . . . . . . . . 5598 1 424 . 1 1 37 37 LEU C C 13 176.48 . . . . . . . . . . . 5598 1 425 . 1 1 37 37 LEU CB C 13 42.27 . . . . . . . . . . . 5598 1 426 . 1 1 37 37 LEU HB2 H 1 1.63 . . . . . . . . . . . 5598 1 427 . 1 1 37 37 LEU HB3 H 1 1.75 . . . . . . . . . . . 5598 1 428 . 1 1 37 37 LEU CG C 13 27.50 . . . . . . . . . . . 5598 1 429 . 1 1 37 37 LEU CD1 C 13 22.50 . . . . . . . . . . . 5598 1 430 . 1 1 37 37 LEU HD11 H 1 0.87 . . . . . . . . . . . 5598 1 431 . 1 1 37 37 LEU HD12 H 1 0.87 . . . . . . . . . . . 5598 1 432 . 1 1 37 37 LEU HD13 H 1 0.87 . . . . . . . . . . . 5598 1 433 . 1 1 37 37 LEU CD2 C 13 22.50 . . . . . . . . . . . 5598 1 434 . 1 1 37 37 LEU HD21 H 1 0.87 . . . . . . . . . . . 5598 1 435 . 1 1 37 37 LEU HD22 H 1 0.87 . . . . . . . . . . . 5598 1 436 . 1 1 37 37 LEU HD23 H 1 0.87 . . . . . . . . . . . 5598 1 437 . 1 1 37 37 LEU HG H 1 1.62 . . . . . . . . . . . 5598 1 438 . 1 1 38 38 HIS H H 1 7.82 . . . . . . . . . . . 5598 1 439 . 1 1 38 38 HIS N N 15 114.34 . . . . . . . . . . . 5598 1 440 . 1 1 38 38 HIS CA C 13 56.02 . . . . . . . . . . . 5598 1 441 . 1 1 38 38 HIS HA H 1 4.22 . . . . . . . . . . . 5598 1 442 . 1 1 38 38 HIS C C 13 174.97 . . . . . . . . . . . 5598 1 443 . 1 1 38 38 HIS CB C 13 25.96 . . . . . . . . . . . 5598 1 444 . 1 1 38 38 HIS HB2 H 1 3.28 . . . . . . . . . . . 5598 1 445 . 1 1 38 38 HIS HB3 H 1 3.42 . . . . . . . . . . . 5598 1 446 . 1 1 38 38 HIS CD2 C 13 120.02 . . . . . . . . . . . 5598 1 447 . 1 1 38 38 HIS HD2 H 1 7.18 . . . . . . . . . . . 5598 1 448 . 1 1 38 38 HIS CE1 C 13 136.50 . . . . . . . . . . . 5598 1 449 . 1 1 38 38 HIS HE1 H 1 8.36 . . . . . . . . . . . 5598 1 450 . 1 1 39 39 LEU H H 1 7.8 . . . . . . . . . . . 5598 1 451 . 1 1 39 39 LEU N N 15 120.14 . . . . . . . . . . . 5598 1 452 . 1 1 39 39 LEU CA C 13 54.28 . . . . . . . . . . . 5598 1 453 . 1 1 39 39 LEU HA H 1 4.5 . . . . . . . . . . . 5598 1 454 . 1 1 39 39 LEU C C 13 174.37 . . . . . . . . . . . 5598 1 455 . 1 1 39 39 LEU CB C 13 41.63 . . . . . . . . . . . 5598 1 456 . 1 1 39 39 LEU HB2 H 1 1.37 . . . . . . . . . . . 5598 1 457 . 1 1 39 39 LEU HB3 H 1 1.52 . . . . . . . . . . . 5598 1 458 . 1 1 39 39 LEU CG C 13 28.22 . . . . . . . . . . . 5598 1 459 . 1 1 39 39 LEU CD1 C 13 25.34 . . . . . . . . . . . 5598 1 460 . 1 1 39 39 LEU HD11 H 1 1.02 . . . . . . . . . . . 5598 1 461 . 1 1 39 39 LEU HD12 H 1 1.02 . . . . . . . . . . . 5598 1 462 . 1 1 39 39 LEU HD13 H 1 1.02 . . . . . . . . . . . 5598 1 463 . 1 1 39 39 LEU CD2 C 13 23.94 . . . . . . . . . . . 5598 1 464 . 1 1 39 39 LEU HD21 H 1 1.02 . . . . . . . . . . . 5598 1 465 . 1 1 39 39 LEU HD22 H 1 1.02 . . . . . . . . . . . 5598 1 466 . 1 1 39 39 LEU HD23 H 1 1.02 . . . . . . . . . . . 5598 1 467 . 1 1 39 39 LEU HG H 1 1.87 . . . . . . . . . . . 5598 1 468 . 1 1 40 40 PRO CA C 13 61.55 . . . . . . . . . . . 5598 1 469 . 1 1 40 40 PRO HA H 1 4.8 . . . . . . . . . . . 5598 1 470 . 1 1 40 40 PRO CB C 13 31.49 . . . . . . . . . . . 5598 1 471 . 1 1 40 40 PRO HB2 H 1 2.0 . . . . . . . . . . . 5598 1 472 . 1 1 40 40 PRO HB3 H 1 2.61 . . . . . . . . . . . 5598 1 473 . 1 1 40 40 PRO CG C 13 28.03 . . . . . . . . . . . 5598 1 474 . 1 1 40 40 PRO HG2 H 1 2.17 . . . . . . . . . . . 5598 1 475 . 1 1 40 40 PRO HG3 H 1 2.27 . . . . . . . . . . . 5598 1 476 . 1 1 40 40 PRO CD C 13 50.43 . . . . . . . . . . . 5598 1 477 . 1 1 40 40 PRO HD2 H 1 4.11 . . . . . . . . . . . 5598 1 478 . 1 1 40 40 PRO HD3 H 1 3.56 . . . . . . . . . . . 5598 1 479 . 1 1 41 41 PRO CA C 13 66.68 . . . . . . . . . . . 5598 1 480 . 1 1 41 41 PRO HA H 1 4.21 . . . . . . . . . . . 5598 1 481 . 1 1 41 41 PRO C C 13 179.34 . . . . . . . . . . . 5598 1 482 . 1 1 41 41 PRO CB C 13 32.04 . . . . . . . . . . . 5598 1 483 . 1 1 41 41 PRO HB2 H 1 2.08 . . . . . . . . . . . 5598 1 484 . 1 1 41 41 PRO HB3 H 1 2.46 . . . . . . . . . . . 5598 1 485 . 1 1 41 41 PRO CG C 13 27.64 . . . . . . . . . . . 5598 1 486 . 1 1 41 41 PRO HG2 H 1 2.14 . . . . . . . . . . . 5598 1 487 . 1 1 41 41 PRO HG3 H 1 2.27 . . . . . . . . . . . 5598 1 488 . 1 1 41 41 PRO CD C 13 50.57 . . . . . . . . . . . 5598 1 489 . 1 1 41 41 PRO HD2 H 1 3.97 . . . . . . . . . . . 5598 1 490 . 1 1 41 41 PRO HD3 H 1 3.93 . . . . . . . . . . . 5598 1 491 . 1 1 42 42 VAL H H 1 8.59 . . . . . . . . . . . 5598 1 492 . 1 1 42 42 VAL N N 15 116.38 . . . . . . . . . . . 5598 1 493 . 1 1 42 42 VAL CA C 13 65.79 . . . . . . . . . . . 5598 1 494 . 1 1 42 42 VAL HA H 1 4.04 . . . . . . . . . . . 5598 1 495 . 1 1 42 42 VAL C C 13 177.69 . . . . . . . . . . . 5598 1 496 . 1 1 42 42 VAL CB C 13 31.42 . . . . . . . . . . . 5598 1 497 . 1 1 42 42 VAL HB H 1 2.16 . . . . . . . . . . . 5598 1 498 . 1 1 42 42 VAL CG1 C 13 21.98 . . . . . . . . . . . 5598 1 499 . 1 1 42 42 VAL HG11 H 1 1.09 . . . . . . . . . . . 5598 1 500 . 1 1 42 42 VAL HG12 H 1 1.09 . . . . . . . . . . . 5598 1 501 . 1 1 42 42 VAL HG13 H 1 1.09 . . . . . . . . . . . 5598 1 502 . 1 1 42 42 VAL CG2 C 13 20.77 . . . . . . . . . . . 5598 1 503 . 1 1 42 42 VAL HG21 H 1 1.02 . . . . . . . . . . . 5598 1 504 . 1 1 42 42 VAL HG22 H 1 1.02 . . . . . . . . . . . 5598 1 505 . 1 1 42 42 VAL HG23 H 1 1.02 . . . . . . . . . . . 5598 1 506 . 1 1 43 43 ARG H H 1 7.24 . . . . . . . . . . . 5598 1 507 . 1 1 43 43 ARG N N 15 120.23 . . . . . . . . . . . 5598 1 508 . 1 1 43 43 ARG CA C 13 57.65 . . . . . . . . . . . 5598 1 509 . 1 1 43 43 ARG HA H 1 4.57 . . . . . . . . . . . 5598 1 510 . 1 1 43 43 ARG C C 13 178.49 . . . . . . . . . . . 5598 1 511 . 1 1 43 43 ARG CB C 13 30.77 . . . . . . . . . . . 5598 1 512 . 1 1 43 43 ARG HB2 H 1 2.11 . . . . . . . . . . . 5598 1 513 . 1 1 43 43 ARG HB3 H 1 2.11 . . . . . . . . . . . 5598 1 514 . 1 1 43 43 ARG CG C 13 26.89 . . . . . . . . . . . 5598 1 515 . 1 1 43 43 ARG HG2 H 1 1.91 . . . . . . . . . . . 5598 1 516 . 1 1 43 43 ARG HG3 H 1 2.05 . . . . . . . . . . . 5598 1 517 . 1 1 43 43 ARG CD C 13 43.22 . . . . . . . . . . . 5598 1 518 . 1 1 43 43 ARG HD2 H 1 3.36 . . . . . . . . . . . 5598 1 519 . 1 1 43 43 ARG HD3 H 1 3.53 . . . . . . . . . . . 5598 1 520 . 1 1 44 44 LEU H H 1 8.26 . . . . . . . . . . . 5598 1 521 . 1 1 44 44 LEU N N 15 120.11 . . . . . . . . . . . 5598 1 522 . 1 1 44 44 LEU CA C 13 58.04 . . . . . . . . . . . 5598 1 523 . 1 1 44 44 LEU HA H 1 4.08 . . . . . . . . . . . 5598 1 524 . 1 1 44 44 LEU C C 13 178.76 . . . . . . . . . . . 5598 1 525 . 1 1 44 44 LEU CB C 13 41.69 . . . . . . . . . . . 5598 1 526 . 1 1 44 44 LEU HB2 H 1 1.79 . . . . . . . . . . . 5598 1 527 . 1 1 44 44 LEU HB3 H 1 1.79 . . . . . . . . . . . 5598 1 528 . 1 1 44 44 LEU CG C 13 26.58 . . . . . . . . . . . 5598 1 529 . 1 1 44 44 LEU CD1 C 13 24.34 . . . . . . . . . . . 5598 1 530 . 1 1 44 44 LEU HD11 H 1 0.56 . . . . . . . . . . . 5598 1 531 . 1 1 44 44 LEU HD12 H 1 0.56 . . . . . . . . . . . 5598 1 532 . 1 1 44 44 LEU HD13 H 1 0.56 . . . . . . . . . . . 5598 1 533 . 1 1 44 44 LEU CD2 C 13 25.56 . . . . . . . . . . . 5598 1 534 . 1 1 44 44 LEU HD21 H 1 0.69 . . . . . . . . . . . 5598 1 535 . 1 1 44 44 LEU HD22 H 1 0.69 . . . . . . . . . . . 5598 1 536 . 1 1 44 44 LEU HD23 H 1 0.69 . . . . . . . . . . . 5598 1 537 . 1 1 44 44 LEU HG H 1 1.65 . . . . . . . . . . . 5598 1 538 . 1 1 45 45 ALA H H 1 8.02 . . . . . . . . . . . 5598 1 539 . 1 1 45 45 ALA N N 15 120.39 . . . . . . . . . . . 5598 1 540 . 1 1 45 45 ALA CA C 13 55.1 . . . . . . . . . . . 5598 1 541 . 1 1 45 45 ALA HA H 1 4.3 . . . . . . . . . . . 5598 1 542 . 1 1 45 45 ALA C C 13 181.28 . . . . . . . . . . . 5598 1 543 . 1 1 45 45 ALA CB C 13 17.9 . . . . . . . . . . . 5598 1 544 . 1 1 45 45 ALA HB1 H 1 1.58 . . . . . . . . . . . 5598 1 545 . 1 1 45 45 ALA HB2 H 1 1.58 . . . . . . . . . . . 5598 1 546 . 1 1 45 45 ALA HB3 H 1 1.58 . . . . . . . . . . . 5598 1 547 . 1 1 46 46 GLU H H 1 7.7 . . . . . . . . . . . 5598 1 548 . 1 1 46 46 GLU N N 15 122.16 . . . . . . . . . . . 5598 1 549 . 1 1 46 46 GLU CA C 13 59.71 . . . . . . . . . . . 5598 1 550 . 1 1 46 46 GLU HA H 1 4.12 . . . . . . . . . . . 5598 1 551 . 1 1 46 46 GLU C C 13 178.84 . . . . . . . . . . . 5598 1 552 . 1 1 46 46 GLU CB C 13 29.68 . . . . . . . . . . . 5598 1 553 . 1 1 46 46 GLU HB2 H 1 2.51 . . . . . . . . . . . 5598 1 554 . 1 1 46 46 GLU HB3 H 1 2.59 . . . . . . . . . . . 5598 1 555 . 1 1 46 46 GLU CG C 13 36.74 . . . . . . . . . . . 5598 1 556 . 1 1 46 46 GLU HG2 H 1 2.43 . . . . . . . . . . . 5598 1 557 . 1 1 46 46 GLU HG3 H 1 2.72 . . . . . . . . . . . 5598 1 558 . 1 1 47 47 LEU H H 1 8.5 . . . . . . . . . . . 5598 1 559 . 1 1 47 47 LEU N N 15 121.95 . . . . . . . . . . . 5598 1 560 . 1 1 47 47 LEU CA C 13 58.27 . . . . . . . . . . . 5598 1 561 . 1 1 47 47 LEU HA H 1 3.7 . . . . . . . . . . . 5598 1 562 . 1 1 47 47 LEU C C 13 178.04 . . . . . . . . . . . 5598 1 563 . 1 1 47 47 LEU CB C 13 40.09 . . . . . . . . . . . 5598 1 564 . 1 1 47 47 LEU HB2 H 1 2.03 . . . . . . . . . . . 5598 1 565 . 1 1 47 47 LEU HB3 H 1 0.55 . . . . . . . . . . . 5598 1 566 . 1 1 47 47 LEU CG C 13 27.22 . . . . . . . . . . . 5598 1 567 . 1 1 47 47 LEU CD1 C 13 23.23 . . . . . . . . . . . 5598 1 568 . 1 1 47 47 LEU HD11 H 1 0.39 . . . . . . . . . . . 5598 1 569 . 1 1 47 47 LEU HD12 H 1 0.39 . . . . . . . . . . . 5598 1 570 . 1 1 47 47 LEU HD13 H 1 0.39 . . . . . . . . . . . 5598 1 571 . 1 1 47 47 LEU CD2 C 13 28.07 . . . . . . . . . . . 5598 1 572 . 1 1 47 47 LEU HD21 H 1 0.73 . . . . . . . . . . . 5598 1 573 . 1 1 47 47 LEU HD22 H 1 0.73 . . . . . . . . . . . 5598 1 574 . 1 1 47 47 LEU HD23 H 1 0.73 . . . . . . . . . . . 5598 1 575 . 1 1 47 47 LEU HG H 1 1.38 . . . . . . . . . . . 5598 1 576 . 1 1 48 48 HIS H H 1 8.91 . . . . . . . . . . . 5598 1 577 . 1 1 48 48 HIS N N 15 119.17 . . . . . . . . . . . 5598 1 578 . 1 1 48 48 HIS CA C 13 61.85 . . . . . . . . . . . 5598 1 579 . 1 1 48 48 HIS HA H 1 3.53 . . . . . . . . . . . 5598 1 580 . 1 1 48 48 HIS C C 13 176.78 . . . . . . . . . . . 5598 1 581 . 1 1 48 48 HIS CB C 13 29.61 . . . . . . . . . . . 5598 1 582 . 1 1 48 48 HIS HB2 H 1 3.18 . . . . . . . . . . . 5598 1 583 . 1 1 48 48 HIS HB3 H 1 3.42 . . . . . . . . . . . 5598 1 584 . 1 1 48 48 HIS CD2 C 13 117.68 . . . . . . . . . . . 5598 1 585 . 1 1 48 48 HIS HD2 H 1 5.14 . . . . . . . . . . . 5598 1 586 . 1 1 48 48 HIS CE1 C 13 136.71 . . . . . . . . . . . 5598 1 587 . 1 1 48 48 HIS HE1 H 1 7.80 . . . . . . . . . . . 5598 1 588 . 1 1 49 49 ALA H H 1 7.65 . . . . . . . . . . . 5598 1 589 . 1 1 49 49 ALA N N 15 119.34 . . . . . . . . . . . 5598 1 590 . 1 1 49 49 ALA CA C 13 55.31 . . . . . . . . . . . 5598 1 591 . 1 1 49 49 ALA HA H 1 4.18 . . . . . . . . . . . 5598 1 592 . 1 1 49 49 ALA C C 13 181.01 . . . . . . . . . . . 5598 1 593 . 1 1 49 49 ALA CB C 13 18.02 . . . . . . . . . . . 5598 1 594 . 1 1 49 49 ALA HB1 H 1 1.64 . . . . . . . . . . . 5598 1 595 . 1 1 49 49 ALA HB2 H 1 1.64 . . . . . . . . . . . 5598 1 596 . 1 1 49 49 ALA HB3 H 1 1.64 . . . . . . . . . . . 5598 1 597 . 1 1 50 50 ASP H H 1 8.34 . . . . . . . . . . . 5598 1 598 . 1 1 50 50 ASP N N 15 120.67 . . . . . . . . . . . 5598 1 599 . 1 1 50 50 ASP CA C 13 57.81 . . . . . . . . . . . 5598 1 600 . 1 1 50 50 ASP HA H 1 4.6 . . . . . . . . . . . 5598 1 601 . 1 1 50 50 ASP C C 13 180.08 . . . . . . . . . . . 5598 1 602 . 1 1 50 50 ASP CB C 13 40.94 . . . . . . . . . . . 5598 1 603 . 1 1 50 50 ASP HB2 H 1 2.6 . . . . . . . . . . . 5598 1 604 . 1 1 50 50 ASP HB3 H 1 2.95 . . . . . . . . . . . 5598 1 605 . 1 1 51 51 LEU H H 1 9.05 . . . . . . . . . . . 5598 1 606 . 1 1 51 51 LEU N N 15 120.47 . . . . . . . . . . . 5598 1 607 . 1 1 51 51 LEU CA C 13 57.15 . . . . . . . . . . . 5598 1 608 . 1 1 51 51 LEU HA H 1 3.9 . . . . . . . . . . . 5598 1 609 . 1 1 51 51 LEU C C 13 178.86 . . . . . . . . . . . 5598 1 610 . 1 1 51 51 LEU CB C 13 41.84 . . . . . . . . . . . 5598 1 611 . 1 1 51 51 LEU HB2 H 1 1.77 . . . . . . . . . . . 5598 1 612 . 1 1 51 51 LEU HB3 H 1 1.77 . . . . . . . . . . . 5598 1 613 . 1 1 51 51 LEU CG C 13 26.18 . . . . . . . . . . . 5598 1 614 . 1 1 51 51 LEU CD1 C 13 26.35 . . . . . . . . . . . 5598 1 615 . 1 1 51 51 LEU HD11 H 1 0.63 . . . . . . . . . . . 5598 1 616 . 1 1 51 51 LEU HD12 H 1 0.63 . . . . . . . . . . . 5598 1 617 . 1 1 51 51 LEU HD13 H 1 0.63 . . . . . . . . . . . 5598 1 618 . 1 1 51 51 LEU CD2 C 13 22.50 . . . . . . . . . . . 5598 1 619 . 1 1 51 51 LEU HD21 H 1 0.62 . . . . . . . . . . . 5598 1 620 . 1 1 51 51 LEU HD22 H 1 0.62 . . . . . . . . . . . 5598 1 621 . 1 1 51 51 LEU HD23 H 1 0.62 . . . . . . . . . . . 5598 1 622 . 1 1 51 51 LEU HG H 1 1.77 . . . . . . . . . . . 5598 1 623 . 1 1 52 52 LYS H H 1 8.34 . . . . . . . . . . . 5598 1 624 . 1 1 52 52 LYS N N 15 120.66 . . . . . . . . . . . 5598 1 625 . 1 1 52 52 LYS CA C 13 58.19 . . . . . . . . . . . 5598 1 626 . 1 1 52 52 LYS HA H 1 4.17 . . . . . . . . . . . 5598 1 627 . 1 1 52 52 LYS C C 13 180.23 . . . . . . . . . . . 5598 1 628 . 1 1 52 52 LYS CB C 13 31.7 . . . . . . . . . . . 5598 1 629 . 1 1 52 52 LYS HB2 H 1 1.83 . . . . . . . . . . . 5598 1 630 . 1 1 52 52 LYS HB3 H 1 2.16 . . . . . . . . . . . 5598 1 631 . 1 1 52 52 LYS CG C 13 24.30 . . . . . . . . . . . 5598 1 632 . 1 1 52 52 LYS HG2 H 1 1.29 . . . . . . . . . . . 5598 1 633 . 1 1 52 52 LYS HG3 H 1 1.46 . . . . . . . . . . . 5598 1 634 . 1 1 52 52 LYS CD C 13 28.37 . . . . . . . . . . . 5598 1 635 . 1 1 52 52 LYS HD2 H 1 1.60 . . . . . . . . . . . 5598 1 636 . 1 1 52 52 LYS HD3 H 1 1.60 . . . . . . . . . . . 5598 1 637 . 1 1 52 52 LYS CE C 13 41.42 . . . . . . . . . . . 5598 1 638 . 1 1 52 52 LYS HE2 H 1 2.83 . . . . . . . . . . . 5598 1 639 . 1 1 52 52 LYS HE3 H 1 2.39 . . . . . . . . . . . 5598 1 640 . 1 1 53 53 ILE H H 1 7.62 . . . . . . . . . . . 5598 1 641 . 1 1 53 53 ILE N N 15 122.63 . . . . . . . . . . . 5598 1 642 . 1 1 53 53 ILE CA C 13 64.75 . . . . . . . . . . . 5598 1 643 . 1 1 53 53 ILE HA H 1 3.73 . . . . . . . . . . . 5598 1 644 . 1 1 53 53 ILE C C 13 177.28 . . . . . . . . . . . 5598 1 645 . 1 1 53 53 ILE CB C 13 37.48 . . . . . . . . . . . 5598 1 646 . 1 1 53 53 ILE HB H 1 2.12 . . . . . . . . . . . 5598 1 647 . 1 1 53 53 ILE CG2 C 13 17.50 . . . . . . . . . . . 5598 1 648 . 1 1 53 53 ILE HG21 H 1 0.94 . . . . . . . . . . . 5598 1 649 . 1 1 53 53 ILE HG22 H 1 0.94 . . . . . . . . . . . 5598 1 650 . 1 1 53 53 ILE HG23 H 1 0.94 . . . . . . . . . . . 5598 1 651 . 1 1 53 53 ILE CG1 C 13 29.07 . . . . . . . . . . . 5598 1 652 . 1 1 53 53 ILE HG12 H 1 1.76 . . . . . . . . . . . 5598 1 653 . 1 1 53 53 ILE HG13 H 1 1.25 . . . . . . . . . . . 5598 1 654 . 1 1 53 53 ILE CD1 C 13 12.43 . . . . . . . . . . . 5598 1 655 . 1 1 53 53 ILE HD11 H 1 0.91 . . . . . . . . . . . 5598 1 656 . 1 1 53 53 ILE HD12 H 1 0.91 . . . . . . . . . . . 5598 1 657 . 1 1 53 53 ILE HD13 H 1 0.91 . . . . . . . . . . . 5598 1 658 . 1 1 54 54 GLN H H 1 7.83 . . . . . . . . . . . 5598 1 659 . 1 1 54 54 GLN N N 15 120.28 . . . . . . . . . . . 5598 1 660 . 1 1 54 54 GLN CA C 13 58.93 . . . . . . . . . . . 5598 1 661 . 1 1 54 54 GLN HA H 1 3.9 . . . . . . . . . . . 5598 1 662 . 1 1 54 54 GLN C C 13 177.79 . . . . . . . . . . . 5598 1 663 . 1 1 54 54 GLN CB C 13 26.41 . . . . . . . . . . . 5598 1 664 . 1 1 54 54 GLN HB2 H 1 2.01 . . . . . . . . . . . 5598 1 665 . 1 1 54 54 GLN HB3 H 1 2.18 . . . . . . . . . . . 5598 1 666 . 1 1 54 54 GLN CG C 13 31.58 . . . . . . . . . . . 5598 1 667 . 1 1 54 54 GLN HG2 H 1 2.17 . . . . . . . . . . . 5598 1 668 . 1 1 54 54 GLN HG3 H 1 2.43 . . . . . . . . . . . 5598 1 669 . 1 1 54 54 GLN NE2 N 15 111.97 . . . . . . . . . . . 5598 1 670 . 1 1 54 54 GLN HE21 H 1 8.76 . . . . . . . . . . . 5598 1 671 . 1 1 54 54 GLN HE22 H 1 6.55 . . . . . . . . . . . 5598 1 672 . 1 1 55 55 GLU H H 1 8.88 . . . . . . . . . . . 5598 1 673 . 1 1 55 55 GLU N N 15 119.66 . . . . . . . . . . . 5598 1 674 . 1 1 55 55 GLU CA C 13 60.25 . . . . . . . . . . . 5598 1 675 . 1 1 55 55 GLU HA H 1 3.75 . . . . . . . . . . . 5598 1 676 . 1 1 55 55 GLU C C 13 177.21 . . . . . . . . . . . 5598 1 677 . 1 1 55 55 GLU CB C 13 30.72 . . . . . . . . . . . 5598 1 678 . 1 1 55 55 GLU HB2 H 1 2.23 . . . . . . . . . . . 5598 1 679 . 1 1 55 55 GLU HB3 H 1 2.46 . . . . . . . . . . . 5598 1 680 . 1 1 55 55 GLU CG C 13 37.91 . . . . . . . . . . . 5598 1 681 . 1 1 55 55 GLU HG2 H 1 2.13 . . . . . . . . . . . 5598 1 682 . 1 1 55 55 GLU HG3 H 1 2.13 . . . . . . . . . . . 5598 1 683 . 1 1 56 56 ARG H H 1 7.75 . . . . . . . . . . . 5598 1 684 . 1 1 56 56 ARG N N 15 119.04 . . . . . . . . . . . 5598 1 685 . 1 1 56 56 ARG CA C 13 59.78 . . . . . . . . . . . 5598 1 686 . 1 1 56 56 ARG HA H 1 4.03 . . . . . . . . . . . 5598 1 687 . 1 1 56 56 ARG C C 13 179.92 . . . . . . . . . . . 5598 1 688 . 1 1 56 56 ARG CB C 13 29.66 . . . . . . . . . . . 5598 1 689 . 1 1 56 56 ARG HB2 H 1 2.09 . . . . . . . . . . . 5598 1 690 . 1 1 56 56 ARG HB3 H 1 2.24 . . . . . . . . . . . 5598 1 691 . 1 1 56 56 ARG CG C 13 26.67 . . . . . . . . . . . 5598 1 692 . 1 1 56 56 ARG HG2 H 1 1.59 . . . . . . . . . . . 5598 1 693 . 1 1 56 56 ARG HG3 H 1 1.98 . . . . . . . . . . . 5598 1 694 . 1 1 56 56 ARG CD C 13 43.52 . . . . . . . . . . . 5598 1 695 . 1 1 56 56 ARG HD2 H 1 3.23 . . . . . . . . . . . 5598 1 696 . 1 1 56 56 ARG HD3 H 1 3.29 . . . . . . . . . . . 5598 1 697 . 1 1 57 57 ASP H H 1 8.46 . . . . . . . . . . . 5598 1 698 . 1 1 57 57 ASP N N 15 121.46 . . . . . . . . . . . 5598 1 699 . 1 1 57 57 ASP CA C 13 57.43 . . . . . . . . . . . 5598 1 700 . 1 1 57 57 ASP HA H 1 4.51 . . . . . . . . . . . 5598 1 701 . 1 1 57 57 ASP C C 13 179.7 . . . . . . . . . . . 5598 1 702 . 1 1 57 57 ASP CB C 13 39.89 . . . . . . . . . . . 5598 1 703 . 1 1 57 57 ASP HB2 H 1 2.62 . . . . . . . . . . . 5598 1 704 . 1 1 57 57 ASP HB3 H 1 2.78 . . . . . . . . . . . 5598 1 705 . 1 1 58 58 GLU H H 1 9.22 . . . . . . . . . . . 5598 1 706 . 1 1 58 58 GLU N N 15 123.98 . . . . . . . . . . . 5598 1 707 . 1 1 58 58 GLU CA C 13 60.74 . . . . . . . . . . . 5598 1 708 . 1 1 58 58 GLU HA H 1 4.27 . . . . . . . . . . . 5598 1 709 . 1 1 58 58 GLU C C 13 179.69 . . . . . . . . . . . 5598 1 710 . 1 1 58 58 GLU CB C 13 29.18 . . . . . . . . . . . 5598 1 711 . 1 1 58 58 GLU HB2 H 1 2.35 . . . . . . . . . . . 5598 1 712 . 1 1 58 58 GLU HB3 H 1 2.28 . . . . . . . . . . . 5598 1 713 . 1 1 58 58 GLU CG C 13 37.29 . . . . . . . . . . . 5598 1 714 . 1 1 58 58 GLU HG2 H 1 2.35 . . . . . . . . . . . 5598 1 715 . 1 1 58 58 GLU HG3 H 1 2.52 . . . . . . . . . . . 5598 1 716 . 1 1 59 59 LEU H H 1 8.63 . . . . . . . . . . . 5598 1 717 . 1 1 59 59 LEU N N 15 120.63 . . . . . . . . . . . 5598 1 718 . 1 1 59 59 LEU CA C 13 58.18 . . . . . . . . . . . 5598 1 719 . 1 1 59 59 LEU HA H 1 4.16 . . . . . . . . . . . 5598 1 720 . 1 1 59 59 LEU C C 13 180.27 . . . . . . . . . . . 5598 1 721 . 1 1 59 59 LEU CB C 13 41.5 . . . . . . . . . . . 5598 1 722 . 1 1 59 59 LEU HB2 H 1 1.54 . . . . . . . . . . . 5598 1 723 . 1 1 59 59 LEU HB3 H 1 1.99 . . . . . . . . . . . 5598 1 724 . 1 1 59 59 LEU CG C 13 26.54 . . . . . . . . . . . 5598 1 725 . 1 1 59 59 LEU CD1 C 13 25.98 . . . . . . . . . . . 5598 1 726 . 1 1 59 59 LEU HD11 H 1 0.92 . . . . . . . . . . . 5598 1 727 . 1 1 59 59 LEU HD12 H 1 0.92 . . . . . . . . . . . 5598 1 728 . 1 1 59 59 LEU HD13 H 1 0.92 . . . . . . . . . . . 5598 1 729 . 1 1 59 59 LEU CD2 C 13 22.95 . . . . . . . . . . . 5598 1 730 . 1 1 59 59 LEU HD21 H 1 0.92 . . . . . . . . . . . 5598 1 731 . 1 1 59 59 LEU HD22 H 1 0.92 . . . . . . . . . . . 5598 1 732 . 1 1 59 59 LEU HD23 H 1 0.92 . . . . . . . . . . . 5598 1 733 . 1 1 59 59 LEU HG H 1 1.90 . . . . . . . . . . . 5598 1 734 . 1 1 60 60 ALA H H 1 8.06 . . . . . . . . . . . 5598 1 735 . 1 1 60 60 ALA N N 15 122.01 . . . . . . . . . . . 5598 1 736 . 1 1 60 60 ALA CA C 13 55.13 . . . . . . . . . . . 5598 1 737 . 1 1 60 60 ALA HA H 1 4.2 . . . . . . . . . . . 5598 1 738 . 1 1 60 60 ALA C C 13 180.7 . . . . . . . . . . . 5598 1 739 . 1 1 60 60 ALA CB C 13 18.22 . . . . . . . . . . . 5598 1 740 . 1 1 60 60 ALA HB1 H 1 1.62 . . . . . . . . . . . 5598 1 741 . 1 1 60 60 ALA HB2 H 1 1.62 . . . . . . . . . . . 5598 1 742 . 1 1 60 60 ALA HB3 H 1 1.62 . . . . . . . . . . . 5598 1 743 . 1 1 61 61 TRP H H 1 8.44 . . . . . . . . . . . 5598 1 744 . 1 1 61 61 TRP N N 15 120.86 . . . . . . . . . . . 5598 1 745 . 1 1 61 61 TRP CA C 13 61.34 . . . . . . . . . . . 5598 1 746 . 1 1 61 61 TRP HA H 1 4.13 . . . . . . . . . . . 5598 1 747 . 1 1 61 61 TRP C C 13 176.4 . . . . . . . . . . . 5598 1 748 . 1 1 61 61 TRP CB C 13 28.31 . . . . . . . . . . . 5598 1 749 . 1 1 61 61 TRP HB2 H 1 3.6 . . . . . . . . . . . 5598 1 750 . 1 1 61 61 TRP HB3 H 1 3.37 . . . . . . . . . . . 5598 1 751 . 1 1 61 61 TRP CD1 C 13 125.66 . . . . . . . . . . . 5598 1 752 . 1 1 61 61 TRP HD1 H 1 6.89 . . . . . . . . . . . 5598 1 753 . 1 1 61 61 TRP NE1 N 15 130.01 . . . . . . . . . . . 5598 1 754 . 1 1 61 61 TRP HE1 H 1 10.93 . . . . . . . . . . . 5598 1 755 . 1 1 61 61 TRP CE3 C 13 121.08 . . . . . . . . . . . 5598 1 756 . 1 1 61 61 TRP HE3 H 1 7.08 . . . . . . . . . . . 5598 1 757 . 1 1 61 61 TRP CZ2 C 13 113.82 . . . . . . . . . . . 5598 1 758 . 1 1 61 61 TRP HZ2 H 1 7.54 . . . . . . . . . . . 5598 1 759 . 1 1 61 61 TRP CZ3 C 13 120.78 . . . . . . . . . . . 5598 1 760 . 1 1 61 61 TRP HZ3 H 1 7.69 . . . . . . . . . . . 5598 1 761 . 1 1 61 61 TRP CH2 C 13 124.31 . . . . . . . . . . . 5598 1 762 . 1 1 61 61 TRP HH2 H 1 7.15 . . . . . . . . . . . 5598 1 763 . 1 1 62 62 LYS H H 1 8.26 . . . . . . . . . . . 5598 1 764 . 1 1 62 62 LYS N N 15 118.99 . . . . . . . . . . . 5598 1 765 . 1 1 62 62 LYS CA C 13 59.46 . . . . . . . . . . . 5598 1 766 . 1 1 62 62 LYS HA H 1 3.05 . . . . . . . . . . . 5598 1 767 . 1 1 62 62 LYS C C 13 178.59 . . . . . . . . . . . 5598 1 768 . 1 1 62 62 LYS CB C 13 32.14 . . . . . . . . . . . 5598 1 769 . 1 1 62 62 LYS HB2 H 1 1.98 . . . . . . . . . . . 5598 1 770 . 1 1 62 62 LYS HB3 H 1 1.86 . . . . . . . . . . . 5598 1 771 . 1 1 62 62 LYS CG C 13 25.05 . . . . . . . . . . . 5598 1 772 . 1 1 62 62 LYS HG2 H 1 1.50 . . . . . . . . . . . 5598 1 773 . 1 1 62 62 LYS HG3 H 1 1.73 . . . . . . . . . . . 5598 1 774 . 1 1 62 62 LYS CD C 13 29.40 . . . . . . . . . . . 5598 1 775 . 1 1 62 62 LYS HD2 H 1 1.73 . . . . . . . . . . . 5598 1 776 . 1 1 62 62 LYS HD3 H 1 1.73 . . . . . . . . . . . 5598 1 777 . 1 1 62 62 LYS CE C 13 42.05 . . . . . . . . . . . 5598 1 778 . 1 1 62 62 LYS HE2 H 1 3.00 . . . . . . . . . . . 5598 1 779 . 1 1 62 62 LYS HE3 H 1 3.00 . . . . . . . . . . . 5598 1 780 . 1 1 63 63 LYS H H 1 7.0 . . . . . . . . . . . 5598 1 781 . 1 1 63 63 LYS N N 15 116.89 . . . . . . . . . . . 5598 1 782 . 1 1 63 63 LYS CA C 13 58.97 . . . . . . . . . . . 5598 1 783 . 1 1 63 63 LYS HA H 1 3.96 . . . . . . . . . . . 5598 1 784 . 1 1 63 63 LYS C C 13 177.98 . . . . . . . . . . . 5598 1 785 . 1 1 63 63 LYS CB C 13 32.38 . . . . . . . . . . . 5598 1 786 . 1 1 63 63 LYS HB2 H 1 1.92 . . . . . . . . . . . 5598 1 787 . 1 1 63 63 LYS HB3 H 1 1.86 . . . . . . . . . . . 5598 1 788 . 1 1 63 63 LYS CG C 13 24.97 . . . . . . . . . . . 5598 1 789 . 1 1 63 63 LYS HG2 H 1 1.41 . . . . . . . . . . . 5598 1 790 . 1 1 63 63 LYS HG3 H 1 1.51 . . . . . . . . . . . 5598 1 791 . 1 1 63 63 LYS CD C 13 28.91 . . . . . . . . . . . 5598 1 792 . 1 1 63 63 LYS HD2 H 1 1.67 . . . . . . . . . . . 5598 1 793 . 1 1 63 63 LYS HD3 H 1 1.67 . . . . . . . . . . . 5598 1 794 . 1 1 63 63 LYS CE C 13 42.27 . . . . . . . . . . . 5598 1 795 . 1 1 63 63 LYS HE2 H 1 3.09 . . . . . . . . . . . 5598 1 796 . 1 1 63 63 LYS HE3 H 1 3.13 . . . . . . . . . . . 5598 1 797 . 1 1 64 64 LEU H H 1 7.4 . . . . . . . . . . . 5598 1 798 . 1 1 64 64 LEU N N 15 119.36 . . . . . . . . . . . 5598 1 799 . 1 1 64 64 LEU CA C 13 57.89 . . . . . . . . . . . 5598 1 800 . 1 1 64 64 LEU HA H 1 4.03 . . . . . . . . . . . 5598 1 801 . 1 1 64 64 LEU C C 13 179.34 . . . . . . . . . . . 5598 1 802 . 1 1 64 64 LEU CB C 13 41.39 . . . . . . . . . . . 5598 1 803 . 1 1 64 64 LEU HB2 H 1 1.3 . . . . . . . . . . . 5598 1 804 . 1 1 64 64 LEU HB3 H 1 1.9 . . . . . . . . . . . 5598 1 805 . 1 1 64 64 LEU CG C 13 26.30 . . . . . . . . . . . 5598 1 806 . 1 1 64 64 LEU CD1 C 13 26.06 . . . . . . . . . . . 5598 1 807 . 1 1 64 64 LEU HD11 H 1 0.92 . . . . . . . . . . . 5598 1 808 . 1 1 64 64 LEU HD12 H 1 0.92 . . . . . . . . . . . 5598 1 809 . 1 1 64 64 LEU HD13 H 1 0.92 . . . . . . . . . . . 5598 1 810 . 1 1 64 64 LEU CD2 C 13 23.93 . . . . . . . . . . . 5598 1 811 . 1 1 64 64 LEU HD21 H 1 0.92 . . . . . . . . . . . 5598 1 812 . 1 1 64 64 LEU HD22 H 1 0.92 . . . . . . . . . . . 5598 1 813 . 1 1 64 64 LEU HD23 H 1 0.92 . . . . . . . . . . . 5598 1 814 . 1 1 64 64 LEU HG H 1 1.66 . . . . . . . . . . . 5598 1 815 . 1 1 65 65 LYS H H 1 8.38 . . . . . . . . . . . 5598 1 816 . 1 1 65 65 LYS N N 15 119.68 . . . . . . . . . . . 5598 1 817 . 1 1 65 65 LYS CA C 13 57.29 . . . . . . . . . . . 5598 1 818 . 1 1 65 65 LYS HA H 1 3.75 . . . . . . . . . . . 5598 1 819 . 1 1 65 65 LYS C C 13 181.16 . . . . . . . . . . . 5598 1 820 . 1 1 65 65 LYS CB C 13 31.01 . . . . . . . . . . . 5598 1 821 . 1 1 65 65 LYS HB2 H 1 0.82 . . . . . . . . . . . 5598 1 822 . 1 1 65 65 LYS HB3 H 1 1.31 . . . . . . . . . . . 5598 1 823 . 1 1 65 65 LYS CG C 13 23.41 . . . . . . . . . . . 5598 1 824 . 1 1 65 65 LYS HG2 H 1 0.88 . . . . . . . . . . . 5598 1 825 . 1 1 65 65 LYS HG3 H 1 1.04 . . . . . . . . . . . 5598 1 826 . 1 1 65 65 LYS CD C 13 28.47 . . . . . . . . . . . 5598 1 827 . 1 1 65 65 LYS HD2 H 1 1.65 . . . . . . . . . . . 5598 1 828 . 1 1 65 65 LYS HD3 H 1 1.80 . . . . . . . . . . . 5598 1 829 . 1 1 65 65 LYS CE C 13 42.04 . . . . . . . . . . . 5598 1 830 . 1 1 65 65 LYS HE2 H 1 3.05 . . . . . . . . . . . 5598 1 831 . 1 1 65 65 LYS HE3 H 1 2.97 . . . . . . . . . . . 5598 1 832 . 1 1 66 66 LEU H H 1 7.74 . . . . . . . . . . . 5598 1 833 . 1 1 66 66 LEU N N 15 122.23 . . . . . . . . . . . 5598 1 834 . 1 1 66 66 LEU CA C 13 57.57 . . . . . . . . . . . 5598 1 835 . 1 1 66 66 LEU HA H 1 4.04 . . . . . . . . . . . 5598 1 836 . 1 1 66 66 LEU C C 13 178.32 . . . . . . . . . . . 5598 1 837 . 1 1 66 66 LEU CB C 13 41.59 . . . . . . . . . . . 5598 1 838 . 1 1 66 66 LEU HB2 H 1 1.63 . . . . . . . . . . . 5598 1 839 . 1 1 66 66 LEU HB3 H 1 1.79 . . . . . . . . . . . 5598 1 840 . 1 1 66 66 LEU CG C 13 26.79 . . . . . . . . . . . 5598 1 841 . 1 1 66 66 LEU CD1 C 13 23.39 . . . . . . . . . . . 5598 1 842 . 1 1 66 66 LEU HD11 H 1 0.87 . . . . . . . . . . . 5598 1 843 . 1 1 66 66 LEU HD12 H 1 0.87 . . . . . . . . . . . 5598 1 844 . 1 1 66 66 LEU HD13 H 1 0.87 . . . . . . . . . . . 5598 1 845 . 1 1 66 66 LEU CD2 C 13 23.39 . . . . . . . . . . . 5598 1 846 . 1 1 66 66 LEU HD21 H 1 0.87 . . . . . . . . . . . 5598 1 847 . 1 1 66 66 LEU HD22 H 1 0.87 . . . . . . . . . . . 5598 1 848 . 1 1 66 66 LEU HD23 H 1 0.87 . . . . . . . . . . . 5598 1 849 . 1 1 66 66 LEU HG H 1 1.72 . . . . . . . . . . . 5598 1 850 . 1 1 67 67 ASP H H 1 7.64 . . . . . . . . . . . 5598 1 851 . 1 1 67 67 ASP N N 15 118.07 . . . . . . . . . . . 5598 1 852 . 1 1 67 67 ASP CA C 13 54.75 . . . . . . . . . . . 5598 1 853 . 1 1 67 67 ASP HA H 1 4.7 . . . . . . . . . . . 5598 1 854 . 1 1 67 67 ASP C C 13 176.36 . . . . . . . . . . . 5598 1 855 . 1 1 67 67 ASP CB C 13 41.1 . . . . . . . . . . . 5598 1 856 . 1 1 67 67 ASP HB2 H 1 2.84 . . . . . . . . . . . 5598 1 857 . 1 1 67 67 ASP HB3 H 1 2.69 . . . . . . . . . . . 5598 1 858 . 1 1 68 68 GLY H H 1 7.75 . . . . . . . . . . . 5598 1 859 . 1 1 68 68 GLY N N 15 107.34 . . . . . . . . . . . 5598 1 860 . 1 1 68 68 GLY CA C 13 46.12 . . . . . . . . . . . 5598 1 861 . 1 1 68 68 GLY HA2 H 1 3.92 . . . . . . . . . . . 5598 1 862 . 1 1 68 68 GLY HA3 H 1 4.17 . . . . . . . . . . . 5598 1 863 . 1 1 68 68 GLY C C 13 175.47 . . . . . . . . . . . 5598 1 864 . 1 1 69 69 LEU H H 1 7.93 . . . . . . . . . . . 5598 1 865 . 1 1 69 69 LEU N N 15 119.1 . . . . . . . . . . . 5598 1 866 . 1 1 69 69 LEU CA C 13 54.52 . . . . . . . . . . . 5598 1 867 . 1 1 69 69 LEU HA H 1 4.61 . . . . . . . . . . . 5598 1 868 . 1 1 69 69 LEU C C 13 176.19 . . . . . . . . . . . 5598 1 869 . 1 1 69 69 LEU CB C 13 41.91 . . . . . . . . . . . 5598 1 870 . 1 1 69 69 LEU HB2 H 1 1.78 . . . . . . . . . . . 5598 1 871 . 1 1 69 69 LEU HB3 H 1 1.66 . . . . . . . . . . . 5598 1 872 . 1 1 69 69 LEU CG C 13 27.34 . . . . . . . . . . . 5598 1 873 . 1 1 69 69 LEU CD1 C 13 25.78 . . . . . . . . . . . 5598 1 874 . 1 1 69 69 LEU HD11 H 1 1.00 . . . . . . . . . . . 5598 1 875 . 1 1 69 69 LEU HD12 H 1 1.00 . . . . . . . . . . . 5598 1 876 . 1 1 69 69 LEU HD13 H 1 1.00 . . . . . . . . . . . 5598 1 877 . 1 1 69 69 LEU CD2 C 13 22.78 . . . . . . . . . . . 5598 1 878 . 1 1 69 69 LEU HD21 H 1 0.88 . . . . . . . . . . . 5598 1 879 . 1 1 69 69 LEU HD22 H 1 0.88 . . . . . . . . . . . 5598 1 880 . 1 1 69 69 LEU HD23 H 1 0.88 . . . . . . . . . . . 5598 1 881 . 1 1 69 69 LEU HG H 1 1.50 . . . . . . . . . . . 5598 1 882 . 1 1 70 70 ASP H H 1 8.91 . . . . . . . . . . . 5598 1 883 . 1 1 70 70 ASP N N 15 120.38 . . . . . . . . . . . 5598 1 884 . 1 1 70 70 ASP CA C 13 54.1 . . . . . . . . . . . 5598 1 885 . 1 1 70 70 ASP HA H 1 5.21 . . . . . . . . . . . 5598 1 886 . 1 1 70 70 ASP C C 13 177.54 . . . . . . . . . . . 5598 1 887 . 1 1 70 70 ASP CB C 13 43.15 . . . . . . . . . . . 5598 1 888 . 1 1 70 70 ASP HB2 H 1 2.84 . . . . . . . . . . . 5598 1 889 . 1 1 70 70 ASP HB3 H 1 2.13 . . . . . . . . . . . 5598 1 890 . 1 1 71 71 GLU H H 1 8.76 . . . . . . . . . . . 5598 1 891 . 1 1 71 71 GLU N N 15 120.67 . . . . . . . . . . . 5598 1 892 . 1 1 71 71 GLU CA C 13 59.08 . . . . . . . . . . . 5598 1 893 . 1 1 71 71 GLU HA H 1 4.06 . . . . . . . . . . . 5598 1 894 . 1 1 71 71 GLU C C 13 177.86 . . . . . . . . . . . 5598 1 895 . 1 1 71 71 GLU CB C 13 29.79 . . . . . . . . . . . 5598 1 896 . 1 1 71 71 GLU HB2 H 1 2.02 . . . . . . . . . . . 5598 1 897 . 1 1 71 71 GLU HB3 H 1 2.09 . . . . . . . . . . . 5598 1 898 . 1 1 71 71 GLU CG C 13 36.68 . . . . . . . . . . . 5598 1 899 . 1 1 71 71 GLU HG2 H 1 2.28 . . . . . . . . . . . 5598 1 900 . 1 1 71 71 GLU HG3 H 1 2.36 . . . . . . . . . . . 5598 1 901 . 1 1 72 72 ASP H H 1 8.15 . . . . . . . . . . . 5598 1 902 . 1 1 72 72 ASP N N 15 115.34 . . . . . . . . . . . 5598 1 903 . 1 1 72 72 ASP CA C 13 53.47 . . . . . . . . . . . 5598 1 904 . 1 1 72 72 ASP HA H 1 4.66 . . . . . . . . . . . 5598 1 905 . 1 1 72 72 ASP C C 13 177.64 . . . . . . . . . . . 5598 1 906 . 1 1 72 72 ASP CB C 13 40.75 . . . . . . . . . . . 5598 1 907 . 1 1 72 72 ASP HB2 H 1 3.02 . . . . . . . . . . . 5598 1 908 . 1 1 72 72 ASP HB3 H 1 2.73 . . . . . . . . . . . 5598 1 909 . 1 1 73 73 GLY H H 1 7.65 . . . . . . . . . . . 5598 1 910 . 1 1 73 73 GLY N N 15 108.32 . . . . . . . . . . . 5598 1 911 . 1 1 73 73 GLY CA C 13 46.31 . . . . . . . . . . . 5598 1 912 . 1 1 73 73 GLY HA2 H 1 4.1 . . . . . . . . . . . 5598 1 913 . 1 1 73 73 GLY HA3 H 1 4.24 . . . . . . . . . . . 5598 1 914 . 1 1 73 73 GLY C C 13 175.72 . . . . . . . . . . . 5598 1 915 . 1 1 74 74 GLU H H 1 8.26 . . . . . . . . . . . 5598 1 916 . 1 1 74 74 GLU N N 15 122.34 . . . . . . . . . . . 5598 1 917 . 1 1 74 74 GLU CA C 13 59.66 . . . . . . . . . . . 5598 1 918 . 1 1 74 74 GLU HA H 1 4.07 . . . . . . . . . . . 5598 1 919 . 1 1 74 74 GLU C C 13 179.73 . . . . . . . . . . . 5598 1 920 . 1 1 74 74 GLU CB C 13 29.86 . . . . . . . . . . . 5598 1 921 . 1 1 74 74 GLU HB2 H 1 2.16 . . . . . . . . . . . 5598 1 922 . 1 1 74 74 GLU HB3 H 1 2.16 . . . . . . . . . . . 5598 1 923 . 1 1 74 74 GLU CG C 13 36.42 . . . . . . . . . . . 5598 1 924 . 1 1 74 74 GLU HG2 H 1 2.16 . . . . . . . . . . . 5598 1 925 . 1 1 74 74 GLU HG3 H 1 2.34 . . . . . . . . . . . 5598 1 926 . 1 1 75 75 LYS H H 1 10.16 . . . . . . . . . . . 5598 1 927 . 1 1 75 75 LYS N N 15 121.97 . . . . . . . . . . . 5598 1 928 . 1 1 75 75 LYS CA C 13 59.6 . . . . . . . . . . . 5598 1 929 . 1 1 75 75 LYS HA H 1 4.09 . . . . . . . . . . . 5598 1 930 . 1 1 75 75 LYS C C 13 179.65 . . . . . . . . . . . 5598 1 931 . 1 1 75 75 LYS CB C 13 31.5 . . . . . . . . . . . 5598 1 932 . 1 1 75 75 LYS HB2 H 1 1.95 . . . . . . . . . . . 5598 1 933 . 1 1 75 75 LYS HB3 H 1 1.84 . . . . . . . . . . . 5598 1 934 . 1 1 75 75 LYS CG C 13 26.25 . . . . . . . . . . . 5598 1 935 . 1 1 75 75 LYS HG2 H 1 1.50 . . . . . . . . . . . 5598 1 936 . 1 1 75 75 LYS HG3 H 1 1.67 . . . . . . . . . . . 5598 1 937 . 1 1 75 75 LYS CD C 13 29.50 . . . . . . . . . . . 5598 1 938 . 1 1 75 75 LYS HD2 H 1 1.65 . . . . . . . . . . . 5598 1 939 . 1 1 75 75 LYS HD3 H 1 1.81 . . . . . . . . . . . 5598 1 940 . 1 1 75 75 LYS CE C 13 42.55 . . . . . . . . . . . 5598 1 941 . 1 1 75 75 LYS HE2 H 1 3.10 . . . . . . . . . . . 5598 1 942 . 1 1 75 75 LYS HE3 H 1 3.10 . . . . . . . . . . . 5598 1 943 . 1 1 76 76 GLU H H 1 8.61 . . . . . . . . . . . 5598 1 944 . 1 1 76 76 GLU N N 15 125.12 . . . . . . . . . . . 5598 1 945 . 1 1 76 76 GLU CA C 13 59.03 . . . . . . . . . . . 5598 1 946 . 1 1 76 76 GLU HA H 1 2.78 . . . . . . . . . . . 5598 1 947 . 1 1 76 76 GLU C C 13 177.65 . . . . . . . . . . . 5598 1 948 . 1 1 76 76 GLU CB C 13 29.44 . . . . . . . . . . . 5598 1 949 . 1 1 76 76 GLU HB2 H 1 1.92 . . . . . . . . . . . 5598 1 950 . 1 1 76 76 GLU HB3 H 1 2.07 . . . . . . . . . . . 5598 1 951 . 1 1 76 76 GLU CG C 13 35.40 . . . . . . . . . . . 5598 1 952 . 1 1 76 76 GLU HG2 H 1 1.33 . . . . . . . . . . . 5598 1 953 . 1 1 76 76 GLU HG3 H 1 1.92 . . . . . . . . . . . 5598 1 954 . 1 1 77 77 ALA H H 1 8.01 . . . . . . . . . . . 5598 1 955 . 1 1 77 77 ALA N N 15 119.0 . . . . . . . . . . . 5598 1 956 . 1 1 77 77 ALA CA C 13 55.07 . . . . . . . . . . . 5598 1 957 . 1 1 77 77 ALA HA H 1 3.94 . . . . . . . . . . . 5598 1 958 . 1 1 77 77 ALA C C 13 180.73 . . . . . . . . . . . 5598 1 959 . 1 1 77 77 ALA CB C 13 17.87 . . . . . . . . . . . 5598 1 960 . 1 1 77 77 ALA HB1 H 1 1.45 . . . . . . . . . . . 5598 1 961 . 1 1 77 77 ALA HB2 H 1 1.45 . . . . . . . . . . . 5598 1 962 . 1 1 77 77 ALA HB3 H 1 1.45 . . . . . . . . . . . 5598 1 963 . 1 1 78 78 ARG H H 1 7.52 . . . . . . . . . . . 5598 1 964 . 1 1 78 78 ARG N N 15 118.94 . . . . . . . . . . . 5598 1 965 . 1 1 78 78 ARG CA C 13 59.1 . . . . . . . . . . . 5598 1 966 . 1 1 78 78 ARG HA H 1 3.89 . . . . . . . . . . . 5598 1 967 . 1 1 78 78 ARG C C 13 177.66 . . . . . . . . . . . 5598 1 968 . 1 1 78 78 ARG CB C 13 30.1 . . . . . . . . . . . 5598 1 969 . 1 1 78 78 ARG HB2 H 1 1.91 . . . . . . . . . . . 5598 1 970 . 1 1 78 78 ARG HB3 H 1 1.91 . . . . . . . . . . . 5598 1 971 . 1 1 78 78 ARG CG C 13 27.50 . . . . . . . . . . . 5598 1 972 . 1 1 78 78 ARG HG2 H 1 1.63 . . . . . . . . . . . 5598 1 973 . 1 1 78 78 ARG HG3 H 1 1.77 . . . . . . . . . . . 5598 1 974 . 1 1 78 78 ARG CD C 13 43.44 . . . . . . . . . . . 5598 1 975 . 1 1 78 78 ARG HD2 H 1 3.22 . . . . . . . . . . . 5598 1 976 . 1 1 78 78 ARG HD3 H 1 3.22 . . . . . . . . . . . 5598 1 977 . 1 1 79 79 LEU H H 1 7.42 . . . . . . . . . . . 5598 1 978 . 1 1 79 79 LEU N N 15 120.36 . . . . . . . . . . . 5598 1 979 . 1 1 79 79 LEU CA C 13 58.18 . . . . . . . . . . . 5598 1 980 . 1 1 79 79 LEU HA H 1 4.01 . . . . . . . . . . . 5598 1 981 . 1 1 79 79 LEU C C 13 179.96 . . . . . . . . . . . 5598 1 982 . 1 1 79 79 LEU CB C 13 41.96 . . . . . . . . . . . 5598 1 983 . 1 1 79 79 LEU HB2 H 1 1.38 . . . . . . . . . . . 5598 1 984 . 1 1 79 79 LEU HB3 H 1 1.65 . . . . . . . . . . . 5598 1 985 . 1 1 79 79 LEU CG C 13 26.50 . . . . . . . . . . . 5598 1 986 . 1 1 79 79 LEU CD1 C 13 25.63 . . . . . . . . . . . 5598 1 987 . 1 1 79 79 LEU HD11 H 1 0.57 . . . . . . . . . . . 5598 1 988 . 1 1 79 79 LEU HD12 H 1 0.57 . . . . . . . . . . . 5598 1 989 . 1 1 79 79 LEU HD13 H 1 0.57 . . . . . . . . . . . 5598 1 990 . 1 1 79 79 LEU CD2 C 13 24.38 . . . . . . . . . . . 5598 1 991 . 1 1 79 79 LEU HD21 H 1 0.68 . . . . . . . . . . . 5598 1 992 . 1 1 79 79 LEU HD22 H 1 0.68 . . . . . . . . . . . 5598 1 993 . 1 1 79 79 LEU HD23 H 1 0.68 . . . . . . . . . . . 5598 1 994 . 1 1 79 79 LEU HG H 1 1.50 . . . . . . . . . . . 5598 1 995 . 1 1 80 80 ILE H H 1 7.71 . . . . . . . . . . . 5598 1 996 . 1 1 80 80 ILE N N 15 120.27 . . . . . . . . . . . 5598 1 997 . 1 1 80 80 ILE CA C 13 64.48 . . . . . . . . . . . 5598 1 998 . 1 1 80 80 ILE HA H 1 3.59 . . . . . . . . . . . 5598 1 999 . 1 1 80 80 ILE C C 13 178.38 . . . . . . . . . . . 5598 1 1000 . 1 1 80 80 ILE CB C 13 38.23 . . . . . . . . . . . 5598 1 1001 . 1 1 80 80 ILE HB H 1 1.76 . . . . . . . . . . . 5598 1 1002 . 1 1 80 80 ILE CG2 C 13 16.89 . . . . . . . . . . . 5598 1 1003 . 1 1 80 80 ILE HG21 H 1 0.86 . . . . . . . . . . . 5598 1 1004 . 1 1 80 80 ILE HG22 H 1 0.86 . . . . . . . . . . . 5598 1 1005 . 1 1 80 80 ILE HG23 H 1 0.86 . . . . . . . . . . . 5598 1 1006 . 1 1 80 80 ILE CG1 C 13 28.84 . . . . . . . . . . . 5598 1 1007 . 1 1 80 80 ILE HG12 H 1 1.01 . . . . . . . . . . . 5598 1 1008 . 1 1 80 80 ILE HG13 H 1 1.54 . . . . . . . . . . . 5598 1 1009 . 1 1 80 80 ILE CD1 C 13 13.20 . . . . . . . . . . . 5598 1 1010 . 1 1 80 80 ILE HD11 H 1 0.73 . . . . . . . . . . . 5598 1 1011 . 1 1 80 80 ILE HD12 H 1 0.73 . . . . . . . . . . . 5598 1 1012 . 1 1 80 80 ILE HD13 H 1 0.73 . . . . . . . . . . . 5598 1 1013 . 1 1 81 81 ARG H H 1 7.91 . . . . . . . . . . . 5598 1 1014 . 1 1 81 81 ARG N N 15 120.63 . . . . . . . . . . . 5598 1 1015 . 1 1 81 81 ARG CA C 13 59.85 . . . . . . . . . . . 5598 1 1016 . 1 1 81 81 ARG HA H 1 4.05 . . . . . . . . . . . 5598 1 1017 . 1 1 81 81 ARG C C 13 179.24 . . . . . . . . . . . 5598 1 1018 . 1 1 81 81 ARG CB C 13 29.88 . . . . . . . . . . . 5598 1 1019 . 1 1 81 81 ARG HB2 H 1 1.92 . . . . . . . . . . . 5598 1 1020 . 1 1 81 81 ARG HB3 H 1 1.96 . . . . . . . . . . . 5598 1 1021 . 1 1 81 81 ARG CG C 13 27.50 . . . . . . . . . . . 5598 1 1022 . 1 1 81 81 ARG HG2 H 1 1.55 . . . . . . . . . . . 5598 1 1023 . 1 1 81 81 ARG HG3 H 1 1.83 . . . . . . . . . . . 5598 1 1024 . 1 1 81 81 ARG CD C 13 43.70 . . . . . . . . . . . 5598 1 1025 . 1 1 81 81 ARG HD2 H 1 3.18 . . . . . . . . . . . 5598 1 1026 . 1 1 81 81 ARG HD3 H 1 3.24 . . . . . . . . . . . 5598 1 1027 . 1 1 82 82 ASN H H 1 8.4 . . . . . . . . . . . 5598 1 1028 . 1 1 82 82 ASN N N 15 118.3 . . . . . . . . . . . 5598 1 1029 . 1 1 82 82 ASN CA C 13 55.91 . . . . . . . . . . . 5598 1 1030 . 1 1 82 82 ASN HA H 1 4.42 . . . . . . . . . . . 5598 1 1031 . 1 1 82 82 ASN C C 13 178.48 . . . . . . . . . . . 5598 1 1032 . 1 1 82 82 ASN CB C 13 37.54 . . . . . . . . . . . 5598 1 1033 . 1 1 82 82 ASN HB2 H 1 2.97 . . . . . . . . . . . 5598 1 1034 . 1 1 82 82 ASN HB3 H 1 3.03 . . . . . . . . . . . 5598 1 1035 . 1 1 82 82 ASN ND2 N 15 111.60 . . . . . . . . . . . 5598 1 1036 . 1 1 82 82 ASN HD21 H 1 8.32 . . . . . . . . . . . 5598 1 1037 . 1 1 82 82 ASN HD22 H 1 6.69 . . . . . . . . . . . 5598 1 1038 . 1 1 83 83 LEU H H 1 7.95 . . . . . . . . . . . 5598 1 1039 . 1 1 83 83 LEU N N 15 122.55 . . . . . . . . . . . 5598 1 1040 . 1 1 83 83 LEU CA C 13 57.99 . . . . . . . . . . . 5598 1 1041 . 1 1 83 83 LEU HA H 1 4.0 . . . . . . . . . . . 5598 1 1042 . 1 1 83 83 LEU C C 13 178.17 . . . . . . . . . . . 5598 1 1043 . 1 1 83 83 LEU CB C 13 40.65 . . . . . . . . . . . 5598 1 1044 . 1 1 83 83 LEU HB2 H 1 2.01 . . . . . . . . . . . 5598 1 1045 . 1 1 83 83 LEU HB3 H 1 1.54 . . . . . . . . . . . 5598 1 1046 . 1 1 83 83 LEU CG C 13 26.95 . . . . . . . . . . . 5598 1 1047 . 1 1 83 83 LEU CD1 C 13 22.90 . . . . . . . . . . . 5598 1 1048 . 1 1 83 83 LEU HD11 H 1 0.72 . . . . . . . . . . . 5598 1 1049 . 1 1 83 83 LEU HD12 H 1 0.72 . . . . . . . . . . . 5598 1 1050 . 1 1 83 83 LEU HD13 H 1 0.72 . . . . . . . . . . . 5598 1 1051 . 1 1 83 83 LEU CD2 C 13 25.76 . . . . . . . . . . . 5598 1 1052 . 1 1 83 83 LEU HD21 H 1 0.83 . . . . . . . . . . . 5598 1 1053 . 1 1 83 83 LEU HD22 H 1 0.83 . . . . . . . . . . . 5598 1 1054 . 1 1 83 83 LEU HD23 H 1 0.83 . . . . . . . . . . . 5598 1 1055 . 1 1 83 83 LEU HG H 1 1.54 . . . . . . . . . . . 5598 1 1056 . 1 1 84 84 ASN H H 1 8.15 . . . . . . . . . . . 5598 1 1057 . 1 1 84 84 ASN N N 15 118.16 . . . . . . . . . . . 5598 1 1058 . 1 1 84 84 ASN CA C 13 56.41 . . . . . . . . . . . 5598 1 1059 . 1 1 84 84 ASN HA H 1 4.43 . . . . . . . . . . . 5598 1 1060 . 1 1 84 84 ASN C C 13 178.92 . . . . . . . . . . . 5598 1 1061 . 1 1 84 84 ASN CB C 13 37.55 . . . . . . . . . . . 5598 1 1062 . 1 1 84 84 ASN HB2 H 1 3.02 . . . . . . . . . . . 5598 1 1063 . 1 1 84 84 ASN HB3 H 1 2.77 . . . . . . . . . . . 5598 1 1064 . 1 1 84 84 ASN ND2 N 15 111.28 . . . . . . . . . . . 5598 1 1065 . 1 1 84 84 ASN HD21 H 1 6.83 . . . . . . . . . . . 5598 1 1066 . 1 1 84 84 ASN HD22 H 1 7.45 . . . . . . . . . . . 5598 1 1067 . 1 1 85 85 VAL H H 1 8.06 . . . . . . . . . . . 5598 1 1068 . 1 1 85 85 VAL N N 15 122.76 . . . . . . . . . . . 5598 1 1069 . 1 1 85 85 VAL CA C 13 66.89 . . . . . . . . . . . 5598 1 1070 . 1 1 85 85 VAL HA H 1 3.71 . . . . . . . . . . . 5598 1 1071 . 1 1 85 85 VAL C C 13 178.53 . . . . . . . . . . . 5598 1 1072 . 1 1 85 85 VAL CB C 13 31.6 . . . . . . . . . . . 5598 1 1073 . 1 1 85 85 VAL HB H 1 2.34 . . . . . . . . . . . 5598 1 1074 . 1 1 85 85 VAL CG1 C 13 22.82 . . . . . . . . . . . 5598 1 1075 . 1 1 85 85 VAL HG11 H 1 1.12 . . . . . . . . . . . 5598 1 1076 . 1 1 85 85 VAL HG12 H 1 1.12 . . . . . . . . . . . 5598 1 1077 . 1 1 85 85 VAL HG13 H 1 1.12 . . . . . . . . . . . 5598 1 1078 . 1 1 85 85 VAL CG2 C 13 21.00 . . . . . . . . . . . 5598 1 1079 . 1 1 85 85 VAL HG21 H 1 0.94 . . . . . . . . . . . 5598 1 1080 . 1 1 85 85 VAL HG22 H 1 0.94 . . . . . . . . . . . 5598 1 1081 . 1 1 85 85 VAL HG23 H 1 0.94 . . . . . . . . . . . 5598 1 1082 . 1 1 86 86 ILE H H 1 7.56 . . . . . . . . . . . 5598 1 1083 . 1 1 86 86 ILE N N 15 121.9 . . . . . . . . . . . 5598 1 1084 . 1 1 86 86 ILE CA C 13 66.21 . . . . . . . . . . . 5598 1 1085 . 1 1 86 86 ILE HA H 1 3.68 . . . . . . . . . . . 5598 1 1086 . 1 1 86 86 ILE C C 13 177.79 . . . . . . . . . . . 5598 1 1087 . 1 1 86 86 ILE CB C 13 38.2 . . . . . . . . . . . 5598 1 1088 . 1 1 86 86 ILE HB H 1 2.25 . . . . . . . . . . . 5598 1 1089 . 1 1 86 86 ILE CG2 C 13 17.31 . . . . . . . . . . . 5598 1 1090 . 1 1 86 86 ILE HG21 H 1 0.93 . . . . . . . . . . . 5598 1 1091 . 1 1 86 86 ILE HG22 H 1 0.93 . . . . . . . . . . . 5598 1 1092 . 1 1 86 86 ILE HG23 H 1 0.93 . . . . . . . . . . . 5598 1 1093 . 1 1 86 86 ILE CG1 C 13 29.76 . . . . . . . . . . . 5598 1 1094 . 1 1 86 86 ILE HG12 H 1 1.08 . . . . . . . . . . . 5598 1 1095 . 1 1 86 86 ILE HG13 H 1 2.00 . . . . . . . . . . . 5598 1 1096 . 1 1 86 86 ILE CD1 C 13 13.89 . . . . . . . . . . . 5598 1 1097 . 1 1 86 86 ILE HD11 H 1 0.82 . . . . . . . . . . . 5598 1 1098 . 1 1 86 86 ILE HD12 H 1 0.82 . . . . . . . . . . . 5598 1 1099 . 1 1 86 86 ILE HD13 H 1 0.82 . . . . . . . . . . . 5598 1 1100 . 1 1 87 87 LEU H H 1 8.5 . . . . . . . . . . . 5598 1 1101 . 1 1 87 87 LEU N N 15 117.32 . . . . . . . . . . . 5598 1 1102 . 1 1 87 87 LEU CA C 13 59.11 . . . . . . . . . . . 5598 1 1103 . 1 1 87 87 LEU HA H 1 3.91 . . . . . . . . . . . 5598 1 1104 . 1 1 87 87 LEU C C 13 179.54 . . . . . . . . . . . 5598 1 1105 . 1 1 87 87 LEU CB C 13 41.5 . . . . . . . . . . . 5598 1 1106 . 1 1 87 87 LEU HB2 H 1 1.3 . . . . . . . . . . . 5598 1 1107 . 1 1 87 87 LEU HB3 H 1 1.97 . . . . . . . . . . . 5598 1 1108 . 1 1 87 87 LEU CG C 13 26.85 . . . . . . . . . . . 5598 1 1109 . 1 1 87 87 LEU CD1 C 13 24.60 . . . . . . . . . . . 5598 1 1110 . 1 1 87 87 LEU HD11 H 1 0.82 . . . . . . . . . . . 5598 1 1111 . 1 1 87 87 LEU HD12 H 1 0.82 . . . . . . . . . . . 5598 1 1112 . 1 1 87 87 LEU HD13 H 1 0.82 . . . . . . . . . . . 5598 1 1113 . 1 1 87 87 LEU CD2 C 13 25.57 . . . . . . . . . . . 5598 1 1114 . 1 1 87 87 LEU HD21 H 1 0.93 . . . . . . . . . . . 5598 1 1115 . 1 1 87 87 LEU HD22 H 1 0.93 . . . . . . . . . . . 5598 1 1116 . 1 1 87 87 LEU HD23 H 1 0.93 . . . . . . . . . . . 5598 1 1117 . 1 1 87 87 LEU HG H 1 1.97 . . . . . . . . . . . 5598 1 1118 . 1 1 88 88 ALA H H 1 7.71 . . . . . . . . . . . 5598 1 1119 . 1 1 88 88 ALA N N 15 119.12 . . . . . . . . . . . 5598 1 1120 . 1 1 88 88 ALA CA C 13 54.36 . . . . . . . . . . . 5598 1 1121 . 1 1 88 88 ALA HA H 1 4.2 . . . . . . . . . . . 5598 1 1122 . 1 1 88 88 ALA C C 13 180.51 . . . . . . . . . . . 5598 1 1123 . 1 1 88 88 ALA CB C 13 18.45 . . . . . . . . . . . 5598 1 1124 . 1 1 88 88 ALA HB1 H 1 1.49 . . . . . . . . . . . 5598 1 1125 . 1 1 88 88 ALA HB2 H 1 1.49 . . . . . . . . . . . 5598 1 1126 . 1 1 88 88 ALA HB3 H 1 1.49 . . . . . . . . . . . 5598 1 1127 . 1 1 89 89 LYS H H 1 8.38 . . . . . . . . . . . 5598 1 1128 . 1 1 89 89 LYS N N 15 120.6 . . . . . . . . . . . 5598 1 1129 . 1 1 89 89 LYS CA C 13 59.25 . . . . . . . . . . . 5598 1 1130 . 1 1 89 89 LYS HA H 1 3.82 . . . . . . . . . . . 5598 1 1131 . 1 1 89 89 LYS C C 13 178.02 . . . . . . . . . . . 5598 1 1132 . 1 1 89 89 LYS CB C 13 33.02 . . . . . . . . . . . 5598 1 1133 . 1 1 89 89 LYS HB2 H 1 1.62 . . . . . . . . . . . 5598 1 1134 . 1 1 89 89 LYS HB3 H 1 1.77 . . . . . . . . . . . 5598 1 1135 . 1 1 89 89 LYS CG C 13 24.45 . . . . . . . . . . . 5598 1 1136 . 1 1 89 89 LYS HG2 H 1 0.30 . . . . . . . . . . . 5598 1 1137 . 1 1 89 89 LYS HG3 H 1 1.11 . . . . . . . . . . . 5598 1 1138 . 1 1 89 89 LYS CD C 13 30.05 . . . . . . . . . . . 5598 1 1139 . 1 1 89 89 LYS HD2 H 1 1.42 . . . . . . . . . . . 5598 1 1140 . 1 1 89 89 LYS HD3 H 1 1.51 . . . . . . . . . . . 5598 1 1141 . 1 1 89 89 LYS CE C 13 41.81 . . . . . . . . . . . 5598 1 1142 . 1 1 89 89 LYS HE2 H 1 2.69 . . . . . . . . . . . 5598 1 1143 . 1 1 89 89 LYS HE3 H 1 2.75 . . . . . . . . . . . 5598 1 1144 . 1 1 90 90 TYR H H 1 7.28 . . . . . . . . . . . 5598 1 1145 . 1 1 90 90 TYR N N 15 111.76 . . . . . . . . . . . 5598 1 1146 . 1 1 90 90 TYR CA C 13 58.05 . . . . . . . . . . . 5598 1 1147 . 1 1 90 90 TYR HA H 1 4.57 . . . . . . . . . . . 5598 1 1148 . 1 1 90 90 TYR C C 13 175.02 . . . . . . . . . . . 5598 1 1149 . 1 1 90 90 TYR CB C 13 39.17 . . . . . . . . . . . 5598 1 1150 . 1 1 90 90 TYR HB2 H 1 3.35 . . . . . . . . . . . 5598 1 1151 . 1 1 90 90 TYR HB3 H 1 2.51 . . . . . . . . . . . 5598 1 1152 . 1 1 90 90 TYR CD1 C 13 134.10 . . . . . . . . . . . 5598 1 1153 . 1 1 90 90 TYR HD1 H 1 7.42 . . . . . . . . . . . 5598 1 1154 . 1 1 90 90 TYR CD2 C 13 134.10 . . . . . . . . . . . 5598 1 1155 . 1 1 90 90 TYR HD2 H 1 7.42 . . . . . . . . . . . 5598 1 1156 . 1 1 90 90 TYR CE1 C 13 117.81 . . . . . . . . . . . 5598 1 1157 . 1 1 90 90 TYR HE1 H 1 7.02 . . . . . . . . . . . 5598 1 1158 . 1 1 90 90 TYR CE2 C 13 117.81 . . . . . . . . . . . 5598 1 1159 . 1 1 90 90 TYR HE2 H 1 7.02 . . . . . . . . . . . 5598 1 1160 . 1 1 91 91 GLY H H 1 7.57 . . . . . . . . . . . 5598 1 1161 . 1 1 91 91 GLY N N 15 107.7 . . . . . . . . . . . 5598 1 1162 . 1 1 91 91 GLY CA C 13 46.89 . . . . . . . . . . . 5598 1 1163 . 1 1 91 91 GLY HA2 H 1 4.04 . . . . . . . . . . . 5598 1 1164 . 1 1 91 91 GLY HA3 H 1 4.12 . . . . . . . . . . . 5598 1 1165 . 1 1 91 91 GLY C C 13 175.94 . . . . . . . . . . . 5598 1 1166 . 1 1 92 92 LEU H H 1 8.35 . . . . . . . . . . . 5598 1 1167 . 1 1 92 92 LEU N N 15 117.81 . . . . . . . . . . . 5598 1 1168 . 1 1 92 92 LEU CA C 13 54.84 . . . . . . . . . . . 5598 1 1169 . 1 1 92 92 LEU HA H 1 4.34 . . . . . . . . . . . 5598 1 1170 . 1 1 92 92 LEU C C 13 175.7 . . . . . . . . . . . 5598 1 1171 . 1 1 92 92 LEU CB C 13 43.48 . . . . . . . . . . . 5598 1 1172 . 1 1 92 92 LEU HB2 H 1 1.75 . . . . . . . . . . . 5598 1 1173 . 1 1 92 92 LEU HB3 H 1 1.75 . . . . . . . . . . . 5598 1 1174 . 1 1 92 92 LEU CG C 13 26.30 . . . . . . . . . . . 5598 1 1175 . 1 1 92 92 LEU CD1 C 13 26.20 . . . . . . . . . . . 5598 1 1176 . 1 1 92 92 LEU HD11 H 1 0.93 . . . . . . . . . . . 5598 1 1177 . 1 1 92 92 LEU HD12 H 1 0.93 . . . . . . . . . . . 5598 1 1178 . 1 1 92 92 LEU HD13 H 1 0.93 . . . . . . . . . . . 5598 1 1179 . 1 1 92 92 LEU CD2 C 13 23.10 . . . . . . . . . . . 5598 1 1180 . 1 1 92 92 LEU HD21 H 1 0.79 . . . . . . . . . . . 5598 1 1181 . 1 1 92 92 LEU HD22 H 1 0.79 . . . . . . . . . . . 5598 1 1182 . 1 1 92 92 LEU HD23 H 1 0.79 . . . . . . . . . . . 5598 1 1183 . 1 1 92 92 LEU HG H 1 1.68 . . . . . . . . . . . 5598 1 1184 . 1 1 93 93 ASP H H 1 8.43 . . . . . . . . . . . 5598 1 1185 . 1 1 93 93 ASP N N 15 118.5 . . . . . . . . . . . 5598 1 1186 . 1 1 93 93 ASP CA C 13 53.45 . . . . . . . . . . . 5598 1 1187 . 1 1 93 93 ASP HA H 1 4.5 . . . . . . . . . . . 5598 1 1188 . 1 1 93 93 ASP C C 13 176.41 . . . . . . . . . . . 5598 1 1189 . 1 1 93 93 ASP CB C 13 40.86 . . . . . . . . . . . 5598 1 1190 . 1 1 93 93 ASP HB2 H 1 2.48 . . . . . . . . . . . 5598 1 1191 . 1 1 93 93 ASP HB3 H 1 2.73 . . . . . . . . . . . 5598 1 1192 . 1 1 94 94 GLY H H 1 8.17 . . . . . . . . . . . 5598 1 1193 . 1 1 94 94 GLY N N 15 108.65 . . . . . . . . . . . 5598 1 1194 . 1 1 94 94 GLY CA C 13 45.6 . . . . . . . . . . . 5598 1 1195 . 1 1 94 94 GLY HA2 H 1 3.9 . . . . . . . . . . . 5598 1 1196 . 1 1 94 94 GLY HA3 H 1 3.94 . . . . . . . . . . . 5598 1 1197 . 1 1 94 94 GLY C C 13 174.31 . . . . . . . . . . . 5598 1 1198 . 1 1 95 95 LYS H H 1 8.07 . . . . . . . . . . . 5598 1 1199 . 1 1 95 95 LYS N N 15 120.74 . . . . . . . . . . . 5598 1 1200 . 1 1 95 95 LYS CA C 13 56.61 . . . . . . . . . . . 5598 1 1201 . 1 1 95 95 LYS HA H 1 4.27 . . . . . . . . . . . 5598 1 1202 . 1 1 95 95 LYS C C 13 176.22 . . . . . . . . . . . 5598 1 1203 . 1 1 95 95 LYS CB C 13 33.11 . . . . . . . . . . . 5598 1 1204 . 1 1 95 95 LYS HB2 H 1 1.38 . . . . . . . . . . . 5598 1 1205 . 1 1 95 95 LYS HB3 H 1 1.43 . . . . . . . . . . . 5598 1 1206 . 1 1 95 95 LYS CG C 13 24.84 . . . . . . . . . . . 5598 1 1207 . 1 1 95 95 LYS HG2 H 1 1.67 . . . . . . . . . . . 5598 1 1208 . 1 1 95 95 LYS HG3 H 1 1.67 . . . . . . . . . . . 5598 1 1209 . 1 1 95 95 LYS CD C 13 29.02 . . . . . . . . . . . 5598 1 1210 . 1 1 95 95 LYS HD2 H 1 1.81 . . . . . . . . . . . 5598 1 1211 . 1 1 95 95 LYS HD3 H 1 1.81 . . . . . . . . . . . 5598 1 1212 . 1 1 95 95 LYS CE C 13 42.17 . . . . . . . . . . . 5598 1 1213 . 1 1 95 95 LYS HE2 H 1 2.98 . . . . . . . . . . . 5598 1 1214 . 1 1 95 95 LYS HE3 H 1 2.98 . . . . . . . . . . . 5598 1 1215 . 1 1 96 96 LYS H H 1 8.32 . . . . . . . . . . . 5598 1 1216 . 1 1 96 96 LYS N N 15 122.18 . . . . . . . . . . . 5598 1 1217 . 1 1 96 96 LYS CA C 13 56.46 . . . . . . . . . . . 5598 1 1218 . 1 1 96 96 LYS HA H 1 4.31 . . . . . . . . . . . 5598 1 1219 . 1 1 96 96 LYS C C 13 175.92 . . . . . . . . . . . 5598 1 1220 . 1 1 96 96 LYS CB C 13 33.17 . . . . . . . . . . . 5598 1 1221 . 1 1 96 96 LYS HB2 H 1 1.4 . . . . . . . . . . . 5598 1 1222 . 1 1 96 96 LYS HB3 H 1 1.4 . . . . . . . . . . . 5598 1 1223 . 1 1 96 96 LYS CG C 13 24.64 . . . . . . . . . . . 5598 1 1224 . 1 1 96 96 LYS HG2 H 1 1.67 . . . . . . . . . . . 5598 1 1225 . 1 1 96 96 LYS HG3 H 1 1.67 . . . . . . . . . . . 5598 1 1226 . 1 1 96 96 LYS CD C 13 29.02 . . . . . . . . . . . 5598 1 1227 . 1 1 96 96 LYS HD2 H 1 1.80 . . . . . . . . . . . 5598 1 1228 . 1 1 96 96 LYS HD3 H 1 1.80 . . . . . . . . . . . 5598 1 1229 . 1 1 96 96 LYS CE C 13 42.23 . . . . . . . . . . . 5598 1 1230 . 1 1 96 96 LYS HE2 H 1 2.99 . . . . . . . . . . . 5598 1 1231 . 1 1 96 96 LYS HE3 H 1 2.99 . . . . . . . . . . . 5598 1 1232 . 1 1 97 97 ASP H H 1 8.27 . . . . . . . . . . . 5598 1 1233 . 1 1 97 97 ASP N N 15 121.57 . . . . . . . . . . . 5598 1 1234 . 1 1 97 97 ASP CA C 13 54.18 . . . . . . . . . . . 5598 1 1235 . 1 1 97 97 ASP HA H 1 4.57 . . . . . . . . . . . 5598 1 1236 . 1 1 97 97 ASP C C 13 176.0 . . . . . . . . . . . 5598 1 1237 . 1 1 97 97 ASP CB C 13 41.4 . . . . . . . . . . . 5598 1 1238 . 1 1 97 97 ASP HB2 H 1 2.63 . . . . . . . . . . . 5598 1 1239 . 1 1 97 97 ASP HB3 H 1 2.69 . . . . . . . . . . . 5598 1 1240 . 1 1 98 98 ALA H H 1 8.24 . . . . . . . . . . . 5598 1 1241 . 1 1 98 98 ALA N N 15 124.99 . . . . . . . . . . . 5598 1 1242 . 1 1 98 98 ALA CA C 13 52.79 . . . . . . . . . . . 5598 1 1243 . 1 1 98 98 ALA HA H 1 4.29 . . . . . . . . . . . 5598 1 1244 . 1 1 98 98 ALA C C 13 177.8 . . . . . . . . . . . 5598 1 1245 . 1 1 98 98 ALA CB C 13 19.23 . . . . . . . . . . . 5598 1 1246 . 1 1 98 98 ALA HB1 H 1 1.4 . . . . . . . . . . . 5598 1 1247 . 1 1 98 98 ALA HB2 H 1 1.4 . . . . . . . . . . . 5598 1 1248 . 1 1 98 98 ALA HB3 H 1 1.4 . . . . . . . . . . . 5598 1 1249 . 1 1 99 99 ARG H H 1 8.25 . . . . . . . . . . . 5598 1 1250 . 1 1 99 99 ARG N N 15 119.46 . . . . . . . . . . . 5598 1 1251 . 1 1 99 99 ARG CA C 13 56.53 . . . . . . . . . . . 5598 1 1252 . 1 1 99 99 ARG HA H 1 4.27 . . . . . . . . . . . 5598 1 1253 . 1 1 99 99 ARG C C 13 176.21 . . . . . . . . . . . 5598 1 1254 . 1 1 99 99 ARG CB C 13 30.64 . . . . . . . . . . . 5598 1 1255 . 1 1 99 99 ARG HB2 H 1 1.63 . . . . . . . . . . . 5598 1 1256 . 1 1 99 99 ARG HB3 H 1 1.63 . . . . . . . . . . . 5598 1 1257 . 1 1 99 99 ARG CG C 13 27.25 . . . . . . . . . . . 5598 1 1258 . 1 1 99 99 ARG HG2 H 1 1.82 . . . . . . . . . . . 5598 1 1259 . 1 1 99 99 ARG HG3 H 1 1.82 . . . . . . . . . . . 5598 1 1260 . 1 1 99 99 ARG CD C 13 43.36 . . . . . . . . . . . 5598 1 1261 . 1 1 99 99 ARG HD2 H 1 3.19 . . . . . . . . . . . 5598 1 1262 . 1 1 99 99 ARG HD3 H 1 3.19 . . . . . . . . . . . 5598 1 1263 . 1 1 101 101 GLN H H 1 8.28 . . . . . . . . . . . 5598 1 1264 . 1 1 101 101 GLN N N 15 121.15 . . . . . . . . . . . 5598 1 1265 . 1 1 101 101 GLN CA C 13 55.79 . . . . . . . . . . . 5598 1 1266 . 1 1 101 101 GLN HA H 1 4.37 . . . . . . . . . . . 5598 1 1267 . 1 1 101 101 GLN C C 13 174.96 . . . . . . . . . . . 5598 1 1268 . 1 1 101 101 GLN CB C 13 29.49 . . . . . . . . . . . 5598 1 1269 . 1 1 101 101 GLN HB2 H 1 2.73 . . . . . . . . . . . 5598 1 1270 . 1 1 101 101 GLN HB3 H 1 2.81 . . . . . . . . . . . 5598 1 1271 . 1 1 101 101 GLN CG C 13 33.86 . . . . . . . . . . . 5598 1 1272 . 1 1 101 101 GLN HG2 H 1 2.81 . . . . . . . . . . . 5598 1 1273 . 1 1 102 102 VAL H H 1 7.74 . . . . . . . . . . . 5598 1 1274 . 1 1 102 102 VAL N N 15 125.66 . . . . . . . . . . . 5598 1 1275 . 1 1 102 102 VAL CA C 13 63.58 . . . . . . . . . . . 5598 1 1276 . 1 1 102 102 VAL HA H 1 4.19 . . . . . . . . . . . 5598 1 1277 . 1 1 102 102 VAL C C 13 180.89 . . . . . . . . . . . 5598 1 1278 . 1 1 102 102 VAL CB C 13 33.12 . . . . . . . . . . . 5598 1 1279 . 1 1 102 102 VAL HB H 1 2.11 . . . . . . . . . . . 5598 1 1280 . 1 1 102 102 VAL CG1 C 13 20.93 . . . . . . . . . . . 5598 1 1281 . 1 1 102 102 VAL HG11 H 1 0.94 . . . . . . . . . . . 5598 1 1282 . 1 1 102 102 VAL HG12 H 1 0.94 . . . . . . . . . . . 5598 1 1283 . 1 1 102 102 VAL HG13 H 1 0.94 . . . . . . . . . . . 5598 1 1284 . 1 1 102 102 VAL CG2 C 13 20.93 . . . . . . . . . . . 5598 1 1285 . 1 1 102 102 VAL HG21 H 1 0.94 . . . . . . . . . . . 5598 1 1286 . 1 1 102 102 VAL HG22 H 1 0.94 . . . . . . . . . . . 5598 1 1287 . 1 1 102 102 VAL HG23 H 1 0.94 . . . . . . . . . . . 5598 1 stop_ save_