data_6573 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6573 _Entry.Title ; NMR Structure of VPS4A MIT Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-31 _Entry.Accession_date 2005-04-14 _Entry.Last_release_date 2005-10-17 _Entry.Original_release_date 2005-10-17 _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 J. Scott . A. . 6573 2 J. Gaspar . . . 6573 3 M. Stuchell . . . 6573 4 S. Alam . . . 6573 5 J. Skalicky . . . 6573 6 W. Sundquist . I. . 6573 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6573 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 869 6573 '13C chemical shifts' 402 6573 '15N chemical shifts' 131 6573 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 . . 2005-10-17 2005-03-31 original author . 6573 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6573 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16174732 _Citation.Full_citation . _Citation.Title 'Structure and ESCRT-III protein interactions of the MIT domain of human VPS4A.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 102 _Citation.Journal_issue 39 _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 13813 _Citation.Page_last 13818 _Citation.Year 2005 _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 A. Scott . . . 6573 1 2 J. Gaspar . . . 6573 1 3 M. Stuchell-Brereton . D. . 6573 1 4 S. Alam . L. . 6573 1 5 J. Skalicky . J. . 6573 1 6 W. Sundquist . I. . 6573 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID VPS4 6573 1 'MIT domain' 6573 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_VPS4A _Assembly.Sf_category assembly _Assembly.Sf_framecode system_VPS4A _Assembly.Entry_ID 6573 _Assembly.ID 1 _Assembly.Name 'vacuolar protein sorting factor 4A' _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 'all free' _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 6573 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 'vacuolar protein sorting factor 4A' 1 $VPS4A . . . native . . . . . 6573 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1YXR . . . . . . 6573 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'vacuolar protein sorting factor 4A' system 6573 1 VPS4A abbreviation 6573 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VPS4A _Entity.Sf_category entity _Entity.Sf_framecode VPS4A _Entity.Entry_ID 6573 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'vacuolar protein sorting factor 4A' _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 ; MTTSTLQKAIDLVTKATEED KAKNYEEALRLYQHAVEYFL HAIKYEAHSDKAKESIRAKC VQYLDRAEKLKDYLRSKEKH GKKPVKENQSEGKGSDSDSE GDNPEKKKLQEQLMGAVVME KP ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 PDB 1YXR . "Nmr Structure Of Vps4a Mit Domain" . . . . . 63.11 77 100.00 100.00 3.44e-46 . . . . 6573 1 2 no PDB 2JQ9 . "Vps4a Mit-Chmp1a Complex" . . . . . 68.85 84 100.00 100.00 8.65e-52 . . . . 6573 1 3 no PDB 2K3W . "Nmr Structure Of Vps4a-Mit-Chmp6" . . . . . 68.85 84 100.00 100.00 8.65e-52 . . . . 6573 1 4 no DBJ BAC00961 . "vacuolar sorting protein4 A [Rattus norvegicus]" . . . . . 100.00 437 98.36 100.00 7.34e-77 . . . . 6573 1 5 no DBJ BAC33165 . "unnamed protein product [Mus musculus]" . . . . . 100.00 437 98.36 100.00 7.34e-77 . . . . 6573 1 6 no DBJ BAE34833 . "unnamed protein product [Mus musculus]" . . . . . 100.00 437 98.36 100.00 7.34e-77 . . . . 6573 1 7 no DBJ BAE41476 . "unnamed protein product [Mus musculus]" . . . . . 100.00 437 97.54 99.18 6.65e-76 . . . . 6573 1 8 no DBJ BAG37514 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 437 100.00 100.00 5.44e-78 . . . . 6573 1 9 no GB AAD42971 . "vacuolar sorting protein 4, partial [Homo sapiens]" . . . . . 95.90 432 100.00 100.00 4.21e-74 . . . . 6573 1 10 no GB AAD49227 . "SKD1-homolog [Homo sapiens]" . . . . . 100.00 437 100.00 100.00 5.44e-78 . . . . 6573 1 11 no GB AAF17203 . "SKD1 protein [Homo sapiens]" . . . . . 100.00 437 99.18 100.00 2.18e-77 . . . . 6573 1 12 no GB AAG01470 . "vacuolar protein sorting factor 4A [Homo sapiens]" . . . . . 100.00 437 100.00 100.00 5.44e-78 . . . . 6573 1 13 no GB AAH18368 . "Vacuolar protein sorting 4a (yeast) [Mus musculus]" . . . . . 100.00 437 98.36 100.00 7.34e-77 . . . . 6573 1 14 no REF NP_001040080 . "vacuolar protein sorting-associated protein 4A [Bos taurus]" . . . . . 100.00 318 97.54 99.18 1.74e-77 . . . . 6573 1 15 no REF NP_001253930 . "vacuolar protein sorting-associated protein 4A [Macaca mulatta]" . . . . . 100.00 437 100.00 100.00 5.33e-78 . . . . 6573 1 16 no REF NP_037377 . "vacuolar protein sorting-associated protein 4A [Homo sapiens]" . . . . . 100.00 437 100.00 100.00 5.44e-78 . . . . 6573 1 17 no REF NP_569053 . "vacuolar protein sorting-associated protein 4A [Mus musculus]" . . . . . 100.00 437 98.36 100.00 7.34e-77 . . . . 6573 1 18 no REF NP_663711 . "vacuolar protein sorting-associated protein 4A [Rattus norvegicus]" . . . . . 100.00 437 98.36 100.00 7.34e-77 . . . . 6573 1 19 no SP Q793F9 . "RecName: Full=Vacuolar protein sorting-associated protein 4A [Rattus norvegicus]" . . . . . 100.00 437 98.36 100.00 7.34e-77 . . . . 6573 1 20 no SP Q8VEJ9 . "RecName: Full=Vacuolar protein sorting-associated protein 4A [Mus musculus]" . . . . . 100.00 437 98.36 100.00 7.34e-77 . . . . 6573 1 21 no SP Q9UN37 . "RecName: Full=Vacuolar protein sorting-associated protein 4A; AltName: Full=Protein SKD2; AltName: Full=VPS4-1; Short=hVPS4 [Ho" . . . . . 100.00 437 100.00 100.00 5.44e-78 . . . . 6573 1 22 no TPG DAA20141 . "TPA: vacuolar protein sorting 4 homolog A [Bos taurus]" . . . . . 100.00 318 97.54 99.18 1.74e-77 . . . . 6573 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'vacuolar protein sorting factor 4A' common 6573 1 VPS4A abbreviation 6573 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 . MET . 6573 1 2 . THR . 6573 1 3 . THR . 6573 1 4 . SER . 6573 1 5 . THR . 6573 1 6 . LEU . 6573 1 7 . GLN . 6573 1 8 . LYS . 6573 1 9 . ALA . 6573 1 10 . ILE . 6573 1 11 . ASP . 6573 1 12 . LEU . 6573 1 13 . VAL . 6573 1 14 . THR . 6573 1 15 . LYS . 6573 1 16 . ALA . 6573 1 17 . THR . 6573 1 18 . GLU . 6573 1 19 . GLU . 6573 1 20 . ASP . 6573 1 21 . LYS . 6573 1 22 . ALA . 6573 1 23 . LYS . 6573 1 24 . ASN . 6573 1 25 . TYR . 6573 1 26 . GLU . 6573 1 27 . GLU . 6573 1 28 . ALA . 6573 1 29 . LEU . 6573 1 30 . ARG . 6573 1 31 . LEU . 6573 1 32 . TYR . 6573 1 33 . GLN . 6573 1 34 . HIS . 6573 1 35 . ALA . 6573 1 36 . VAL . 6573 1 37 . GLU . 6573 1 38 . TYR . 6573 1 39 . PHE . 6573 1 40 . LEU . 6573 1 41 . HIS . 6573 1 42 . ALA . 6573 1 43 . ILE . 6573 1 44 . LYS . 6573 1 45 . TYR . 6573 1 46 . GLU . 6573 1 47 . ALA . 6573 1 48 . HIS . 6573 1 49 . SER . 6573 1 50 . ASP . 6573 1 51 . LYS . 6573 1 52 . ALA . 6573 1 53 . LYS . 6573 1 54 . GLU . 6573 1 55 . SER . 6573 1 56 . ILE . 6573 1 57 . ARG . 6573 1 58 . ALA . 6573 1 59 . LYS . 6573 1 60 . CYS . 6573 1 61 . VAL . 6573 1 62 . GLN . 6573 1 63 . TYR . 6573 1 64 . LEU . 6573 1 65 . ASP . 6573 1 66 . ARG . 6573 1 67 . ALA . 6573 1 68 . GLU . 6573 1 69 . LYS . 6573 1 70 . LEU . 6573 1 71 . LYS . 6573 1 72 . ASP . 6573 1 73 . TYR . 6573 1 74 . LEU . 6573 1 75 . ARG . 6573 1 76 . SER . 6573 1 77 . LYS . 6573 1 78 . GLU . 6573 1 79 . LYS . 6573 1 80 . HIS . 6573 1 81 . GLY . 6573 1 82 . LYS . 6573 1 83 . LYS . 6573 1 84 . PRO . 6573 1 85 . VAL . 6573 1 86 . LYS . 6573 1 87 . GLU . 6573 1 88 . ASN . 6573 1 89 . GLN . 6573 1 90 . SER . 6573 1 91 . GLU . 6573 1 92 . GLY . 6573 1 93 . LYS . 6573 1 94 . GLY . 6573 1 95 . SER . 6573 1 96 . ASP . 6573 1 97 . SER . 6573 1 98 . ASP . 6573 1 99 . SER . 6573 1 100 . GLU . 6573 1 101 . GLY . 6573 1 102 . ASP . 6573 1 103 . ASN . 6573 1 104 . PRO . 6573 1 105 . GLU . 6573 1 106 . LYS . 6573 1 107 . LYS . 6573 1 108 . LYS . 6573 1 109 . LEU . 6573 1 110 . GLN . 6573 1 111 . GLU . 6573 1 112 . GLN . 6573 1 113 . LEU . 6573 1 114 . MET . 6573 1 115 . GLY . 6573 1 116 . ALA . 6573 1 117 . VAL . 6573 1 118 . VAL . 6573 1 119 . MET . 6573 1 120 . GLU . 6573 1 121 . LYS . 6573 1 122 . PRO . 6573 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6573 1 . THR 2 2 6573 1 . THR 3 3 6573 1 . SER 4 4 6573 1 . THR 5 5 6573 1 . LEU 6 6 6573 1 . GLN 7 7 6573 1 . LYS 8 8 6573 1 . ALA 9 9 6573 1 . ILE 10 10 6573 1 . ASP 11 11 6573 1 . LEU 12 12 6573 1 . VAL 13 13 6573 1 . THR 14 14 6573 1 . LYS 15 15 6573 1 . ALA 16 16 6573 1 . THR 17 17 6573 1 . GLU 18 18 6573 1 . GLU 19 19 6573 1 . ASP 20 20 6573 1 . LYS 21 21 6573 1 . ALA 22 22 6573 1 . LYS 23 23 6573 1 . ASN 24 24 6573 1 . TYR 25 25 6573 1 . GLU 26 26 6573 1 . GLU 27 27 6573 1 . ALA 28 28 6573 1 . LEU 29 29 6573 1 . ARG 30 30 6573 1 . LEU 31 31 6573 1 . TYR 32 32 6573 1 . GLN 33 33 6573 1 . HIS 34 34 6573 1 . ALA 35 35 6573 1 . VAL 36 36 6573 1 . GLU 37 37 6573 1 . TYR 38 38 6573 1 . PHE 39 39 6573 1 . LEU 40 40 6573 1 . HIS 41 41 6573 1 . ALA 42 42 6573 1 . ILE 43 43 6573 1 . LYS 44 44 6573 1 . TYR 45 45 6573 1 . GLU 46 46 6573 1 . ALA 47 47 6573 1 . HIS 48 48 6573 1 . SER 49 49 6573 1 . ASP 50 50 6573 1 . LYS 51 51 6573 1 . ALA 52 52 6573 1 . LYS 53 53 6573 1 . GLU 54 54 6573 1 . SER 55 55 6573 1 . ILE 56 56 6573 1 . ARG 57 57 6573 1 . ALA 58 58 6573 1 . LYS 59 59 6573 1 . CYS 60 60 6573 1 . VAL 61 61 6573 1 . GLN 62 62 6573 1 . TYR 63 63 6573 1 . LEU 64 64 6573 1 . ASP 65 65 6573 1 . ARG 66 66 6573 1 . ALA 67 67 6573 1 . GLU 68 68 6573 1 . LYS 69 69 6573 1 . LEU 70 70 6573 1 . LYS 71 71 6573 1 . ASP 72 72 6573 1 . TYR 73 73 6573 1 . LEU 74 74 6573 1 . ARG 75 75 6573 1 . SER 76 76 6573 1 . LYS 77 77 6573 1 . GLU 78 78 6573 1 . LYS 79 79 6573 1 . HIS 80 80 6573 1 . GLY 81 81 6573 1 . LYS 82 82 6573 1 . LYS 83 83 6573 1 . PRO 84 84 6573 1 . VAL 85 85 6573 1 . LYS 86 86 6573 1 . GLU 87 87 6573 1 . ASN 88 88 6573 1 . GLN 89 89 6573 1 . SER 90 90 6573 1 . GLU 91 91 6573 1 . GLY 92 92 6573 1 . LYS 93 93 6573 1 . GLY 94 94 6573 1 . SER 95 95 6573 1 . ASP 96 96 6573 1 . SER 97 97 6573 1 . ASP 98 98 6573 1 . SER 99 99 6573 1 . GLU 100 100 6573 1 . GLY 101 101 6573 1 . ASP 102 102 6573 1 . ASN 103 103 6573 1 . PRO 104 104 6573 1 . GLU 105 105 6573 1 . LYS 106 106 6573 1 . LYS 107 107 6573 1 . LYS 108 108 6573 1 . LEU 109 109 6573 1 . GLN 110 110 6573 1 . GLU 111 111 6573 1 . GLN 112 112 6573 1 . LEU 113 113 6573 1 . MET 114 114 6573 1 . GLY 115 115 6573 1 . ALA 116 116 6573 1 . VAL 117 117 6573 1 . VAL 118 118 6573 1 . MET 119 119 6573 1 . GLU 120 120 6573 1 . LYS 121 121 6573 1 . PRO 122 122 6573 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 6573 _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 $VPS4A . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6573 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 6573 _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 $VPS4A . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6573 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6573 _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 'vacuolar protein sorting factor 4A' '[U-13C; U-15N]' . . 1 $VPS4A . . . . . mM . . . . 6573 1 2 NaCl . . . . . . . 50 . . mM . . . . 6573 1 3 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6573 1 4 D2O . . . . . . . 10 . . % . . . . 6573 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6573 _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 5.5 . pH 6573 1 temperature 298 . K 6573 1 'ionic strength' 50 . mM 6573 1 pressure 1 . atm 6573 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 6573 _Software.ID 1 _Software.Name FELIX _Software.Version 97 _Software.Details 'Accelyrs, San Diego' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6573 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6573 _Software.ID 2 _Software.Name Sparky _Software.Version 3.110 _Software.Details 'TD Goddard and DG Kneller' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6573 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6573 _Software.ID 3 _Software.Name CYANA _Software.Version 2.0 _Software.Details 'P Guntert' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6573 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6573 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details 'AT Brunger, et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6573 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6573 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6573 _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 NMR_spectrometer Varian INOVA . 600 . . . 6573 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 6573 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6573 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6573 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6573 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6573 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.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 6573 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6573 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6573 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6573 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6573 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_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 . 6573 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.575 0.000 . . . . . . . . . . 6573 1 2 . 1 1 1 1 MET HA H 1 4.519 0.002 . . . . . . . . . . 6573 1 3 . 1 1 1 1 MET HB2 H 1 2.045 0.002 . . . . . . . . . . 6573 1 4 . 1 1 1 1 MET HB3 H 1 1.988 0.006 . . . . . . . . . . 6573 1 5 . 1 1 1 1 MET HG2 H 1 2.531 0.002 . . . . . . . . . . 6573 1 6 . 1 1 1 1 MET HG3 H 1 2.478 0.003 . . . . . . . . . . 6573 1 7 . 1 1 1 1 MET CA C 13 55.549 0.010 . . . . . . . . . . 6573 1 8 . 1 1 1 1 MET CB C 13 33.010 0.000 . . . . . . . . . . 6573 1 9 . 1 1 1 1 MET CG C 13 32.090 0.000 . . . . . . . . . . 6573 1 10 . 1 1 1 1 MET N N 15 122.699 0.000 . . . . . . . . . . 6573 1 11 . 1 1 2 2 THR H H 1 8.314 0.004 . . . . . . . . . . 6573 1 12 . 1 1 2 2 THR HA H 1 4.391 0.001 . . . . . . . . . . 6573 1 13 . 1 1 2 2 THR HB H 1 4.178 0.001 . . . . . . . . . . 6573 1 14 . 1 1 2 2 THR HG21 H 1 1.177 0.003 . . . . . . . . . . 6573 1 15 . 1 1 2 2 THR HG22 H 1 1.177 0.003 . . . . . . . . . . 6573 1 16 . 1 1 2 2 THR HG23 H 1 1.177 0.003 . . . . . . . . . . 6573 1 17 . 1 1 2 2 THR CA C 13 61.910 0.007 . . . . . . . . . . 6573 1 18 . 1 1 2 2 THR CB C 13 69.786 0.010 . . . . . . . . . . 6573 1 19 . 1 1 2 2 THR CG2 C 13 21.648 0.042 . . . . . . . . . . 6573 1 20 . 1 1 2 2 THR N N 15 116.906 0.030 . . . . . . . . . . 6573 1 21 . 1 1 3 3 THR H H 1 8.117 0.006 . . . . . . . . . . 6573 1 22 . 1 1 3 3 THR HA H 1 4.420 0.010 . . . . . . . . . . 6573 1 23 . 1 1 3 3 THR HB H 1 4.247 0.005 . . . . . . . . . . 6573 1 24 . 1 1 3 3 THR HG21 H 1 1.185 0.004 . . . . . . . . . . 6573 1 25 . 1 1 3 3 THR HG22 H 1 1.185 0.004 . . . . . . . . . . 6573 1 26 . 1 1 3 3 THR HG23 H 1 1.185 0.004 . . . . . . . . . . 6573 1 27 . 1 1 3 3 THR CA C 13 61.345 0.002 . . . . . . . . . . 6573 1 28 . 1 1 3 3 THR CB C 13 70.215 0.007 . . . . . . . . . . 6573 1 29 . 1 1 3 3 THR CG2 C 13 21.818 0.055 . . . . . . . . . . 6573 1 30 . 1 1 3 3 THR N N 15 116.471 0.022 . . . . . . . . . . 6573 1 31 . 1 1 4 4 SER H H 1 8.481 0.009 . . . . . . . . . . 6573 1 32 . 1 1 4 4 SER HA H 1 4.530 0.005 . . . . . . . . . . 6573 1 33 . 1 1 4 4 SER HB2 H 1 4.282 0.004 . . . . . . . . . . 6573 1 34 . 1 1 4 4 SER HB3 H 1 3.923 0.004 . . . . . . . . . . 6573 1 35 . 1 1 4 4 SER CA C 13 58.285 0.000 . . . . . . . . . . 6573 1 36 . 1 1 4 4 SER CB C 13 64.067 0.038 . . . . . . . . . . 6573 1 37 . 1 1 4 4 SER N N 15 118.846 0.009 . . . . . . . . . . 6573 1 38 . 1 1 5 5 THR H H 1 9.796 0.019 . . . . . . . . . . 6573 1 39 . 1 1 5 5 THR HA H 1 3.757 0.005 . . . . . . . . . . 6573 1 40 . 1 1 5 5 THR HB H 1 4.276 0.004 . . . . . . . . . . 6573 1 41 . 1 1 5 5 THR HG21 H 1 1.260 0.006 . . . . . . . . . . 6573 1 42 . 1 1 5 5 THR HG22 H 1 1.260 0.006 . . . . . . . . . . 6573 1 43 . 1 1 5 5 THR HG23 H 1 1.260 0.006 . . . . . . . . . . 6573 1 44 . 1 1 5 5 THR CA C 13 66.461 0.017 . . . . . . . . . . 6573 1 45 . 1 1 5 5 THR CB C 13 68.064 0.030 . . . . . . . . . . 6573 1 46 . 1 1 5 5 THR CG2 C 13 24.016 0.014 . . . . . . . . . . 6573 1 47 . 1 1 5 5 THR N N 15 121.735 0.005 . . . . . . . . . . 6573 1 48 . 1 1 6 6 LEU H H 1 8.526 0.010 . . . . . . . . . . 6573 1 49 . 1 1 6 6 LEU HA H 1 3.881 0.005 . . . . . . . . . . 6573 1 50 . 1 1 6 6 LEU HB2 H 1 1.755 0.003 . . . . . . . . . . 6573 1 51 . 1 1 6 6 LEU HB3 H 1 1.587 0.007 . . . . . . . . . . 6573 1 52 . 1 1 6 6 LEU HG H 1 1.692 0.006 . . . . . . . . . . 6573 1 53 . 1 1 6 6 LEU HD11 H 1 0.916 0.006 . . . . . . . . . . 6573 1 54 . 1 1 6 6 LEU HD12 H 1 0.916 0.006 . . . . . . . . . . 6573 1 55 . 1 1 6 6 LEU HD13 H 1 0.916 0.006 . . . . . . . . . . 6573 1 56 . 1 1 6 6 LEU HD21 H 1 1.034 0.003 . . . . . . . . . . 6573 1 57 . 1 1 6 6 LEU HD22 H 1 1.034 0.003 . . . . . . . . . . 6573 1 58 . 1 1 6 6 LEU HD23 H 1 1.034 0.003 . . . . . . . . . . 6573 1 59 . 1 1 6 6 LEU CA C 13 58.032 0.006 . . . . . . . . . . 6573 1 60 . 1 1 6 6 LEU CB C 13 41.827 0.054 . . . . . . . . . . 6573 1 61 . 1 1 6 6 LEU CG C 13 26.953 0.000 . . . . . . . . . . 6573 1 62 . 1 1 6 6 LEU CD1 C 13 24.973 0.000 . . . . . . . . . . 6573 1 63 . 1 1 6 6 LEU CD2 C 13 24.265 0.007 . . . . . . . . . . 6573 1 64 . 1 1 6 6 LEU N N 15 122.533 0.032 . . . . . . . . . . 6573 1 65 . 1 1 7 7 GLN H H 1 7.951 0.007 . . . . . . . . . . 6573 1 66 . 1 1 7 7 GLN HA H 1 3.771 0.005 . . . . . . . . . . 6573 1 67 . 1 1 7 7 GLN HB2 H 1 2.084 0.007 . . . . . . . . . . 6573 1 68 . 1 1 7 7 GLN HB3 H 1 1.997 0.005 . . . . . . . . . . 6573 1 69 . 1 1 7 7 GLN HG2 H 1 2.336 0.002 . . . . . . . . . . 6573 1 70 . 1 1 7 7 GLN HG3 H 1 2.336 0.002 . . . . . . . . . . 6573 1 71 . 1 1 7 7 GLN HE21 H 1 7.708 0.001 . . . . . . . . . . 6573 1 72 . 1 1 7 7 GLN HE22 H 1 6.825 0.003 . . . . . . . . . . 6573 1 73 . 1 1 7 7 GLN CA C 13 58.450 0.015 . . . . . . . . . . 6573 1 74 . 1 1 7 7 GLN CB C 13 28.223 0.014 . . . . . . . . . . 6573 1 75 . 1 1 7 7 GLN CG C 13 33.834 0.013 . . . . . . . . . . 6573 1 76 . 1 1 7 7 GLN N N 15 117.366 0.030 . . . . . . . . . . 6573 1 77 . 1 1 7 7 GLN NE2 N 15 115.229 0.007 . . . . . . . . . . 6573 1 78 . 1 1 8 8 LYS H H 1 7.630 0.002 . . . . . . . . . . 6573 1 79 . 1 1 8 8 LYS HA H 1 3.862 0.004 . . . . . . . . . . 6573 1 80 . 1 1 8 8 LYS HB2 H 1 1.423 0.003 . . . . . . . . . . 6573 1 81 . 1 1 8 8 LYS HB3 H 1 1.224 0.004 . . . . . . . . . . 6573 1 82 . 1 1 8 8 LYS HG2 H 1 1.237 0.002 . . . . . . . . . . 6573 1 83 . 1 1 8 8 LYS HG3 H 1 0.970 0.004 . . . . . . . . . . 6573 1 84 . 1 1 8 8 LYS HD2 H 1 1.246 0.002 . . . . . . . . . . 6573 1 85 . 1 1 8 8 LYS HD3 H 1 1.246 0.002 . . . . . . . . . . 6573 1 86 . 1 1 8 8 LYS HE2 H 1 2.674 0.003 . . . . . . . . . . 6573 1 87 . 1 1 8 8 LYS HE3 H 1 2.608 0.002 . . . . . . . . . . 6573 1 88 . 1 1 8 8 LYS CA C 13 59.290 0.024 . . . . . . . . . . 6573 1 89 . 1 1 8 8 LYS CB C 13 31.872 0.050 . . . . . . . . . . 6573 1 90 . 1 1 8 8 LYS CG C 13 25.063 0.052 . . . . . . . . . . 6573 1 91 . 1 1 8 8 LYS CD C 13 29.366 0.002 . . . . . . . . . . 6573 1 92 . 1 1 8 8 LYS CE C 13 42.060 0.007 . . . . . . . . . . 6573 1 93 . 1 1 8 8 LYS N N 15 118.791 0.020 . . . . . . . . . . 6573 1 94 . 1 1 9 9 ALA H H 1 7.729 0.008 . . . . . . . . . . 6573 1 95 . 1 1 9 9 ALA HA H 1 3.593 0.005 . . . . . . . . . . 6573 1 96 . 1 1 9 9 ALA HB1 H 1 0.416 0.005 . . . . . . . . . . 6573 1 97 . 1 1 9 9 ALA HB2 H 1 0.416 0.005 . . . . . . . . . . 6573 1 98 . 1 1 9 9 ALA HB3 H 1 0.416 0.005 . . . . . . . . . . 6573 1 99 . 1 1 9 9 ALA CA C 13 55.731 0.010 . . . . . . . . . . 6573 1 100 . 1 1 9 9 ALA CB C 13 16.911 0.009 . . . . . . . . . . 6573 1 101 . 1 1 9 9 ALA N N 15 121.729 0.021 . . . . . . . . . . 6573 1 102 . 1 1 10 10 ILE H H 1 7.980 0.005 . . . . . . . . . . 6573 1 103 . 1 1 10 10 ILE HA H 1 3.622 0.006 . . . . . . . . . . 6573 1 104 . 1 1 10 10 ILE HB H 1 1.899 0.006 . . . . . . . . . . 6573 1 105 . 1 1 10 10 ILE HG12 H 1 1.300 0.004 . . . . . . . . . . 6573 1 106 . 1 1 10 10 ILE HG13 H 1 1.300 0.004 . . . . . . . . . . 6573 1 107 . 1 1 10 10 ILE HG21 H 1 0.924 0.006 . . . . . . . . . . 6573 1 108 . 1 1 10 10 ILE HG22 H 1 0.924 0.006 . . . . . . . . . . 6573 1 109 . 1 1 10 10 ILE HG23 H 1 0.924 0.006 . . . . . . . . . . 6573 1 110 . 1 1 10 10 ILE HD11 H 1 0.890 0.003 . . . . . . . . . . 6573 1 111 . 1 1 10 10 ILE HD12 H 1 0.890 0.003 . . . . . . . . . . 6573 1 112 . 1 1 10 10 ILE HD13 H 1 0.890 0.003 . . . . . . . . . . 6573 1 113 . 1 1 10 10 ILE CA C 13 64.759 0.011 . . . . . . . . . . 6573 1 114 . 1 1 10 10 ILE CB C 13 37.938 0.007 . . . . . . . . . . 6573 1 115 . 1 1 10 10 ILE CG1 C 13 29.300 0.000 . . . . . . . . . . 6573 1 116 . 1 1 10 10 ILE CG2 C 13 16.997 0.021 . . . . . . . . . . 6573 1 117 . 1 1 10 10 ILE CD1 C 13 13.062 0.015 . . . . . . . . . . 6573 1 118 . 1 1 10 10 ILE N N 15 118.181 0.011 . . . . . . . . . . 6573 1 119 . 1 1 11 11 ASP H H 1 8.561 0.008 . . . . . . . . . . 6573 1 120 . 1 1 11 11 ASP HA H 1 4.348 0.004 . . . . . . . . . . 6573 1 121 . 1 1 11 11 ASP HB2 H 1 2.734 0.003 . . . . . . . . . . 6573 1 122 . 1 1 11 11 ASP HB3 H 1 2.592 0.007 . . . . . . . . . . 6573 1 123 . 1 1 11 11 ASP CA C 13 57.746 0.019 . . . . . . . . . . 6573 1 124 . 1 1 11 11 ASP CB C 13 40.055 0.065 . . . . . . . . . . 6573 1 125 . 1 1 11 11 ASP N N 15 123.219 0.040 . . . . . . . . . . 6573 1 126 . 1 1 12 12 LEU H H 1 8.008 0.004 . . . . . . . . . . 6573 1 127 . 1 1 12 12 LEU HA H 1 4.051 0.003 . . . . . . . . . . 6573 1 128 . 1 1 12 12 LEU HB2 H 1 1.943 0.004 . . . . . . . . . . 6573 1 129 . 1 1 12 12 LEU HB3 H 1 1.348 0.004 . . . . . . . . . . 6573 1 130 . 1 1 12 12 LEU HG H 1 0.657 0.005 . . . . . . . . . . 6573 1 131 . 1 1 12 12 LEU HD11 H 1 0.857 0.003 . . . . . . . . . . 6573 1 132 . 1 1 12 12 LEU HD12 H 1 0.857 0.003 . . . . . . . . . . 6573 1 133 . 1 1 12 12 LEU HD13 H 1 0.857 0.003 . . . . . . . . . . 6573 1 134 . 1 1 12 12 LEU HD21 H 1 0.857 0.003 . . . . . . . . . . 6573 1 135 . 1 1 12 12 LEU HD22 H 1 0.857 0.003 . . . . . . . . . . 6573 1 136 . 1 1 12 12 LEU HD23 H 1 0.857 0.003 . . . . . . . . . . 6573 1 137 . 1 1 12 12 LEU CA C 13 58.376 0.004 . . . . . . . . . . 6573 1 138 . 1 1 12 12 LEU CB C 13 42.287 0.011 . . . . . . . . . . 6573 1 139 . 1 1 12 12 LEU CG C 13 26.456 0.008 . . . . . . . . . . 6573 1 140 . 1 1 12 12 LEU CD1 C 13 23.764 0.011 . . . . . . . . . . 6573 1 141 . 1 1 12 12 LEU N N 15 121.304 0.013 . . . . . . . . . . 6573 1 142 . 1 1 13 13 VAL H H 1 8.538 0.005 . . . . . . . . . . 6573 1 143 . 1 1 13 13 VAL HA H 1 3.480 0.007 . . . . . . . . . . 6573 1 144 . 1 1 13 13 VAL HB H 1 2.123 0.001 . . . . . . . . . . 6573 1 145 . 1 1 13 13 VAL HG11 H 1 0.914 0.005 . . . . . . . . . . 6573 1 146 . 1 1 13 13 VAL HG12 H 1 0.914 0.005 . . . . . . . . . . 6573 1 147 . 1 1 13 13 VAL HG13 H 1 0.914 0.005 . . . . . . . . . . 6573 1 148 . 1 1 13 13 VAL HG21 H 1 0.640 0.007 . . . . . . . . . . 6573 1 149 . 1 1 13 13 VAL HG22 H 1 0.640 0.007 . . . . . . . . . . 6573 1 150 . 1 1 13 13 VAL HG23 H 1 0.640 0.007 . . . . . . . . . . 6573 1 151 . 1 1 13 13 VAL CA C 13 66.263 0.015 . . . . . . . . . . 6573 1 152 . 1 1 13 13 VAL CB C 13 30.985 0.007 . . . . . . . . . . 6573 1 153 . 1 1 13 13 VAL CG1 C 13 21.283 0.047 . . . . . . . . . . 6573 1 154 . 1 1 13 13 VAL CG2 C 13 23.551 0.042 . . . . . . . . . . 6573 1 155 . 1 1 13 13 VAL N N 15 120.048 0.007 . . . . . . . . . . 6573 1 156 . 1 1 14 14 THR H H 1 8.423 0.007 . . . . . . . . . . 6573 1 157 . 1 1 14 14 THR HA H 1 3.886 0.003 . . . . . . . . . . 6573 1 158 . 1 1 14 14 THR HB H 1 4.400 0.003 . . . . . . . . . . 6573 1 159 . 1 1 14 14 THR HG21 H 1 1.233 0.002 . . . . . . . . . . 6573 1 160 . 1 1 14 14 THR HG22 H 1 1.233 0.002 . . . . . . . . . . 6573 1 161 . 1 1 14 14 THR HG23 H 1 1.233 0.002 . . . . . . . . . . 6573 1 162 . 1 1 14 14 THR CA C 13 67.331 0.056 . . . . . . . . . . 6573 1 163 . 1 1 14 14 THR CB C 13 68.545 0.017 . . . . . . . . . . 6573 1 164 . 1 1 14 14 THR CG2 C 13 21.363 0.006 . . . . . . . . . . 6573 1 165 . 1 1 14 14 THR N N 15 121.449 0.012 . . . . . . . . . . 6573 1 166 . 1 1 15 15 LYS H H 1 7.405 0.005 . . . . . . . . . . 6573 1 167 . 1 1 15 15 LYS HA H 1 4.079 0.009 . . . . . . . . . . 6573 1 168 . 1 1 15 15 LYS HB2 H 1 1.948 0.007 . . . . . . . . . . 6573 1 169 . 1 1 15 15 LYS HB3 H 1 1.857 0.004 . . . . . . . . . . 6573 1 170 . 1 1 15 15 LYS HG2 H 1 1.523 0.002 . . . . . . . . . . 6573 1 171 . 1 1 15 15 LYS HG3 H 1 1.430 0.002 . . . . . . . . . . 6573 1 172 . 1 1 15 15 LYS HD2 H 1 1.625 0.002 . . . . . . . . . . 6573 1 173 . 1 1 15 15 LYS HD3 H 1 1.625 0.002 . . . . . . . . . . 6573 1 174 . 1 1 15 15 LYS HE2 H 1 3.030 0.001 . . . . . . . . . . 6573 1 175 . 1 1 15 15 LYS HE3 H 1 3.030 0.001 . . . . . . . . . . 6573 1 176 . 1 1 15 15 LYS CA C 13 59.031 0.034 . . . . . . . . . . 6573 1 177 . 1 1 15 15 LYS CB C 13 32.367 0.013 . . . . . . . . . . 6573 1 178 . 1 1 15 15 LYS CG C 13 25.193 0.000 . . . . . . . . . . 6573 1 179 . 1 1 15 15 LYS CD C 13 28.715 0.000 . . . . . . . . . . 6573 1 180 . 1 1 15 15 LYS CE C 13 42.000 0.000 . . . . . . . . . . 6573 1 181 . 1 1 15 15 LYS N N 15 122.410 0.014 . . . . . . . . . . 6573 1 182 . 1 1 16 16 ALA H H 1 8.900 0.005 . . . . . . . . . . 6573 1 183 . 1 1 16 16 ALA HA H 1 3.449 0.007 . . . . . . . . . . 6573 1 184 . 1 1 16 16 ALA HB1 H 1 0.526 0.005 . . . . . . . . . . 6573 1 185 . 1 1 16 16 ALA HB2 H 1 0.526 0.005 . . . . . . . . . . 6573 1 186 . 1 1 16 16 ALA HB3 H 1 0.526 0.005 . . . . . . . . . . 6573 1 187 . 1 1 16 16 ALA CA C 13 55.824 0.007 . . . . . . . . . . 6573 1 188 . 1 1 16 16 ALA CB C 13 18.072 0.018 . . . . . . . . . . 6573 1 189 . 1 1 16 16 ALA N N 15 122.938 0.004 . . . . . . . . . . 6573 1 190 . 1 1 17 17 THR H H 1 8.347 0.005 . . . . . . . . . . 6573 1 191 . 1 1 17 17 THR HA H 1 4.116 0.007 . . . . . . . . . . 6573 1 192 . 1 1 17 17 THR HB H 1 4.417 0.003 . . . . . . . . . . 6573 1 193 . 1 1 17 17 THR HG21 H 1 1.453 0.001 . . . . . . . . . . 6573 1 194 . 1 1 17 17 THR HG22 H 1 1.453 0.001 . . . . . . . . . . 6573 1 195 . 1 1 17 17 THR HG23 H 1 1.453 0.001 . . . . . . . . . . 6573 1 196 . 1 1 17 17 THR CA C 13 66.540 0.008 . . . . . . . . . . 6573 1 197 . 1 1 17 17 THR CB C 13 69.395 0.011 . . . . . . . . . . 6573 1 198 . 1 1 17 17 THR CG2 C 13 21.338 0.004 . . . . . . . . . . 6573 1 199 . 1 1 17 17 THR N N 15 111.700 0.017 . . . . . . . . . . 6573 1 200 . 1 1 18 18 GLU H H 1 7.499 0.003 . . . . . . . . . . 6573 1 201 . 1 1 18 18 GLU HA H 1 4.019 0.007 . . . . . . . . . . 6573 1 202 . 1 1 18 18 GLU HB2 H 1 2.108 0.002 . . . . . . . . . . 6573 1 203 . 1 1 18 18 GLU HB3 H 1 2.224 0.002 . . . . . . . . . . 6573 1 204 . 1 1 18 18 GLU HG2 H 1 2.251 0.004 . . . . . . . . . . 6573 1 205 . 1 1 18 18 GLU HG3 H 1 2.418 0.001 . . . . . . . . . . 6573 1 206 . 1 1 18 18 GLU CA C 13 59.556 0.005 . . . . . . . . . . 6573 1 207 . 1 1 18 18 GLU CB C 13 29.410 0.000 . . . . . . . . . . 6573 1 208 . 1 1 18 18 GLU CG C 13 35.942 0.046 . . . . . . . . . . 6573 1 209 . 1 1 18 18 GLU N N 15 122.940 0.007 . . . . . . . . . . 6573 1 210 . 1 1 19 19 GLU H H 1 8.245 0.008 . . . . . . . . . . 6573 1 211 . 1 1 19 19 GLU HA H 1 4.463 0.008 . . . . . . . . . . 6573 1 212 . 1 1 19 19 GLU HB2 H 1 1.656 0.002 . . . . . . . . . . 6573 1 213 . 1 1 19 19 GLU HB3 H 1 1.992 0.002 . . . . . . . . . . 6573 1 214 . 1 1 19 19 GLU HG2 H 1 2.412 0.004 . . . . . . . . . . 6573 1 215 . 1 1 19 19 GLU HG3 H 1 1.992 0.003 . . . . . . . . . . 6573 1 216 . 1 1 19 19 GLU CA C 13 58.335 0.010 . . . . . . . . . . 6573 1 217 . 1 1 19 19 GLU CB C 13 28.270 0.000 . . . . . . . . . . 6573 1 218 . 1 1 19 19 GLU CG C 13 34.686 0.020 . . . . . . . . . . 6573 1 219 . 1 1 19 19 GLU N N 15 120.006 0.019 . . . . . . . . . . 6573 1 220 . 1 1 20 20 ASP H H 1 8.706 0.006 . . . . . . . . . . 6573 1 221 . 1 1 20 20 ASP HA H 1 4.083 0.004 . . . . . . . . . . 6573 1 222 . 1 1 20 20 ASP HB2 H 1 3.310 0.002 . . . . . . . . . . 6573 1 223 . 1 1 20 20 ASP HB3 H 1 3.025 0.005 . . . . . . . . . . 6573 1 224 . 1 1 20 20 ASP CA C 13 56.770 0.010 . . . . . . . . . . 6573 1 225 . 1 1 20 20 ASP CB C 13 41.703 0.025 . . . . . . . . . . 6573 1 226 . 1 1 20 20 ASP N N 15 121.566 0.022 . . . . . . . . . . 6573 1 227 . 1 1 21 21 LYS H H 1 8.260 0.006 . . . . . . . . . . 6573 1 228 . 1 1 21 21 LYS HA H 1 3.972 0.006 . . . . . . . . . . 6573 1 229 . 1 1 21 21 LYS HB2 H 1 1.926 0.003 . . . . . . . . . . 6573 1 230 . 1 1 21 21 LYS HB3 H 1 1.926 0.003 . . . . . . . . . . 6573 1 231 . 1 1 21 21 LYS HG2 H 1 1.674 0.003 . . . . . . . . . . 6573 1 232 . 1 1 21 21 LYS HG3 H 1 1.488 0.004 . . . . . . . . . . 6573 1 233 . 1 1 21 21 LYS HD2 H 1 1.684 0.003 . . . . . . . . . . 6573 1 234 . 1 1 21 21 LYS HD3 H 1 1.684 0.003 . . . . . . . . . . 6573 1 235 . 1 1 21 21 LYS HE2 H 1 2.952 0.001 . . . . . . . . . . 6573 1 236 . 1 1 21 21 LYS HE3 H 1 2.952 0.001 . . . . . . . . . . 6573 1 237 . 1 1 21 21 LYS CA C 13 59.715 0.003 . . . . . . . . . . 6573 1 238 . 1 1 21 21 LYS CB C 13 32.333 0.017 . . . . . . . . . . 6573 1 239 . 1 1 21 21 LYS CG C 13 25.368 0.001 . . . . . . . . . . 6573 1 240 . 1 1 21 21 LYS CD C 13 29.500 0.000 . . . . . . . . . . 6573 1 241 . 1 1 21 21 LYS CE C 13 42.142 0.000 . . . . . . . . . . 6573 1 242 . 1 1 21 21 LYS N N 15 120.590 0.043 . . . . . . . . . . 6573 1 243 . 1 1 22 22 ALA H H 1 7.436 0.002 . . . . . . . . . . 6573 1 244 . 1 1 22 22 ALA HA H 1 4.187 0.003 . . . . . . . . . . 6573 1 245 . 1 1 22 22 ALA HB1 H 1 1.422 0.001 . . . . . . . . . . 6573 1 246 . 1 1 22 22 ALA HB2 H 1 1.422 0.001 . . . . . . . . . . 6573 1 247 . 1 1 22 22 ALA HB3 H 1 1.422 0.001 . . . . . . . . . . 6573 1 248 . 1 1 22 22 ALA CA C 13 52.352 0.003 . . . . . . . . . . 6573 1 249 . 1 1 22 22 ALA CB C 13 18.621 0.004 . . . . . . . . . . 6573 1 250 . 1 1 22 22 ALA N N 15 119.321 0.007 . . . . . . . . . . 6573 1 251 . 1 1 23 23 LYS H H 1 7.934 0.004 . . . . . . . . . . 6573 1 252 . 1 1 23 23 LYS HA H 1 2.919 0.002 . . . . . . . . . . 6573 1 253 . 1 1 23 23 LYS HB2 H 1 1.520 0.010 . . . . . . . . . . 6573 1 254 . 1 1 23 23 LYS HB3 H 1 2.021 0.004 . . . . . . . . . . 6573 1 255 . 1 1 23 23 LYS HG2 H 1 1.221 0.006 . . . . . . . . . . 6573 1 256 . 1 1 23 23 LYS HG3 H 1 1.221 0.006 . . . . . . . . . . 6573 1 257 . 1 1 23 23 LYS HD2 H 1 1.635 0.003 . . . . . . . . . . 6573 1 258 . 1 1 23 23 LYS HD3 H 1 1.635 0.003 . . . . . . . . . . 6573 1 259 . 1 1 23 23 LYS HE2 H 1 3.010 0.003 . . . . . . . . . . 6573 1 260 . 1 1 23 23 LYS HE3 H 1 3.010 0.003 . . . . . . . . . . 6573 1 261 . 1 1 23 23 LYS CA C 13 57.163 0.024 . . . . . . . . . . 6573 1 262 . 1 1 23 23 LYS CB C 13 28.645 0.000 . . . . . . . . . . 6573 1 263 . 1 1 23 23 LYS CG C 13 25.158 0.000 . . . . . . . . . . 6573 1 264 . 1 1 23 23 LYS CD C 13 29.575 0.000 . . . . . . . . . . 6573 1 265 . 1 1 23 23 LYS CE C 13 42.560 0.000 . . . . . . . . . . 6573 1 266 . 1 1 23 23 LYS N N 15 113.181 0.024 . . . . . . . . . . 6573 1 267 . 1 1 24 24 ASN H H 1 8.347 0.006 . . . . . . . . . . 6573 1 268 . 1 1 24 24 ASN HA H 1 4.993 0.004 . . . . . . . . . . 6573 1 269 . 1 1 24 24 ASN HB2 H 1 2.710 0.002 . . . . . . . . . . 6573 1 270 . 1 1 24 24 ASN HB3 H 1 3.172 0.002 . . . . . . . . . . 6573 1 271 . 1 1 24 24 ASN HD21 H 1 8.093 0.001 . . . . . . . . . . 6573 1 272 . 1 1 24 24 ASN HD22 H 1 6.787 0.000 . . . . . . . . . . 6573 1 273 . 1 1 24 24 ASN CA C 13 50.531 0.012 . . . . . . . . . . 6573 1 274 . 1 1 24 24 ASN CB C 13 35.883 0.006 . . . . . . . . . . 6573 1 275 . 1 1 24 24 ASN N N 15 120.407 0.041 . . . . . . . . . . 6573 1 276 . 1 1 24 24 ASN ND2 N 15 113.890 0.014 . . . . . . . . . . 6573 1 277 . 1 1 25 25 TYR H H 1 7.179 0.003 . . . . . . . . . . 6573 1 278 . 1 1 25 25 TYR HA H 1 4.274 0.004 . . . . . . . . . . 6573 1 279 . 1 1 25 25 TYR HB2 H 1 3.128 0.018 . . . . . . . . . . 6573 1 280 . 1 1 25 25 TYR HB3 H 1 3.016 0.005 . . . . . . . . . . 6573 1 281 . 1 1 25 25 TYR HD1 H 1 7.086 0.007 . . . . . . . . . . 6573 1 282 . 1 1 25 25 TYR HD2 H 1 7.086 0.007 . . . . . . . . . . 6573 1 283 . 1 1 25 25 TYR HE1 H 1 6.929 0.005 . . . . . . . . . . 6573 1 284 . 1 1 25 25 TYR HE2 H 1 6.929 0.005 . . . . . . . . . . 6573 1 285 . 1 1 25 25 TYR CA C 13 60.476 0.050 . . . . . . . . . . 6573 1 286 . 1 1 25 25 TYR CB C 13 38.140 0.049 . . . . . . . . . . 6573 1 287 . 1 1 25 25 TYR CD1 C 13 132.006 0.050 . . . . . . . . . . 6573 1 288 . 1 1 25 25 TYR CE1 C 13 118.843 0.032 . . . . . . . . . . 6573 1 289 . 1 1 25 25 TYR N N 15 118.292 0.032 . . . . . . . . . . 6573 1 290 . 1 1 26 26 GLU H H 1 9.311 0.006 . . . . . . . . . . 6573 1 291 . 1 1 26 26 GLU HA H 1 3.956 0.003 . . . . . . . . . . 6573 1 292 . 1 1 26 26 GLU HB2 H 1 2.056 0.004 . . . . . . . . . . 6573 1 293 . 1 1 26 26 GLU HB3 H 1 2.139 0.003 . . . . . . . . . . 6573 1 294 . 1 1 26 26 GLU HG2 H 1 2.383 0.002 . . . . . . . . . . 6573 1 295 . 1 1 26 26 GLU HG3 H 1 2.383 0.002 . . . . . . . . . . 6573 1 296 . 1 1 26 26 GLU CA C 13 60.761 0.010 . . . . . . . . . . 6573 1 297 . 1 1 26 26 GLU CB C 13 29.103 0.037 . . . . . . . . . . 6573 1 298 . 1 1 26 26 GLU CG C 13 37.170 0.004 . . . . . . . . . . 6573 1 299 . 1 1 26 26 GLU N N 15 119.489 0.008 . . . . . . . . . . 6573 1 300 . 1 1 27 27 GLU H H 1 7.518 0.005 . . . . . . . . . . 6573 1 301 . 1 1 27 27 GLU HA H 1 4.285 0.008 . . . . . . . . . . 6573 1 302 . 1 1 27 27 GLU HB2 H 1 1.723 0.003 . . . . . . . . . . 6573 1 303 . 1 1 27 27 GLU HB3 H 1 1.947 0.005 . . . . . . . . . . 6573 1 304 . 1 1 27 27 GLU HG2 H 1 2.153 0.005 . . . . . . . . . . 6573 1 305 . 1 1 27 27 GLU HG3 H 1 2.277 0.003 . . . . . . . . . . 6573 1 306 . 1 1 27 27 GLU CA C 13 58.124 0.011 . . . . . . . . . . 6573 1 307 . 1 1 27 27 GLU CB C 13 29.724 0.012 . . . . . . . . . . 6573 1 308 . 1 1 27 27 GLU CG C 13 34.980 0.024 . . . . . . . . . . 6573 1 309 . 1 1 27 27 GLU N N 15 119.507 0.016 . . . . . . . . . . 6573 1 310 . 1 1 28 28 ALA H H 1 8.334 0.004 . . . . . . . . . . 6573 1 311 . 1 1 28 28 ALA HA H 1 3.714 0.005 . . . . . . . . . . 6573 1 312 . 1 1 28 28 ALA HB1 H 1 1.413 0.002 . . . . . . . . . . 6573 1 313 . 1 1 28 28 ALA HB2 H 1 1.413 0.002 . . . . . . . . . . 6573 1 314 . 1 1 28 28 ALA HB3 H 1 1.413 0.002 . . . . . . . . . . 6573 1 315 . 1 1 28 28 ALA CA C 13 55.993 0.019 . . . . . . . . . . 6573 1 316 . 1 1 28 28 ALA CB C 13 17.827 0.017 . . . . . . . . . . 6573 1 317 . 1 1 28 28 ALA N N 15 119.911 0.059 . . . . . . . . . . 6573 1 318 . 1 1 29 29 LEU H H 1 8.487 0.006 . . . . . . . . . . 6573 1 319 . 1 1 29 29 LEU HA H 1 4.137 0.005 . . . . . . . . . . 6573 1 320 . 1 1 29 29 LEU HB2 H 1 2.076 0.004 . . . . . . . . . . 6573 1 321 . 1 1 29 29 LEU HB3 H 1 1.669 0.003 . . . . . . . . . . 6573 1 322 . 1 1 29 29 LEU HG H 1 0.895 0.003 . . . . . . . . . . 6573 1 323 . 1 1 29 29 LEU HD11 H 1 1.066 0.004 . . . . . . . . . . 6573 1 324 . 1 1 29 29 LEU HD12 H 1 1.066 0.004 . . . . . . . . . . 6573 1 325 . 1 1 29 29 LEU HD13 H 1 1.066 0.004 . . . . . . . . . . 6573 1 326 . 1 1 29 29 LEU HD21 H 1 1.066 0.004 . . . . . . . . . . 6573 1 327 . 1 1 29 29 LEU HD22 H 1 1.066 0.004 . . . . . . . . . . 6573 1 328 . 1 1 29 29 LEU HD23 H 1 1.066 0.004 . . . . . . . . . . 6573 1 329 . 1 1 29 29 LEU CA C 13 59.311 0.044 . . . . . . . . . . 6573 1 330 . 1 1 29 29 LEU CB C 13 41.928 0.012 . . . . . . . . . . 6573 1 331 . 1 1 29 29 LEU CG C 13 26.953 0.000 . . . . . . . . . . 6573 1 332 . 1 1 29 29 LEU CD1 C 13 25.033 0.008 . . . . . . . . . . 6573 1 333 . 1 1 29 29 LEU N N 15 116.317 0.024 . . . . . . . . . . 6573 1 334 . 1 1 30 30 ARG H H 1 7.231 0.003 . . . . . . . . . . 6573 1 335 . 1 1 30 30 ARG HA H 1 4.045 0.006 . . . . . . . . . . 6573 1 336 . 1 1 30 30 ARG HB2 H 1 1.918 0.007 . . . . . . . . . . 6573 1 337 . 1 1 30 30 ARG HB3 H 1 1.918 0.007 . . . . . . . . . . 6573 1 338 . 1 1 30 30 ARG HG2 H 1 1.714 0.002 . . . . . . . . . . 6573 1 339 . 1 1 30 30 ARG HG3 H 1 1.478 0.002 . . . . . . . . . . 6573 1 340 . 1 1 30 30 ARG HD2 H 1 3.247 0.014 . . . . . . . . . . 6573 1 341 . 1 1 30 30 ARG HD3 H 1 3.166 0.006 . . . . . . . . . . 6573 1 342 . 1 1 30 30 ARG HE H 1 7.612 0.001 . . . . . . . . . . 6573 1 343 . 1 1 30 30 ARG CA C 13 59.283 0.000 . . . . . . . . . . 6573 1 344 . 1 1 30 30 ARG CB C 13 30.668 0.022 . . . . . . . . . . 6573 1 345 . 1 1 30 30 ARG CG C 13 27.857 0.007 . . . . . . . . . . 6573 1 346 . 1 1 30 30 ARG CD C 13 43.300 0.000 . . . . . . . . . . 6573 1 347 . 1 1 30 30 ARG N N 15 117.650 0.020 . . . . . . . . . . 6573 1 348 . 1 1 30 30 ARG NE N 15 84.017 0.011 . . . . . . . . . . 6573 1 349 . 1 1 31 31 LEU H H 1 8.050 0.002 . . . . . . . . . . 6573 1 350 . 1 1 31 31 LEU HA H 1 4.055 0.003 . . . . . . . . . . 6573 1 351 . 1 1 31 31 LEU HB2 H 1 1.715 0.008 . . . . . . . . . . 6573 1 352 . 1 1 31 31 LEU HB3 H 1 1.254 0.004 . . . . . . . . . . 6573 1 353 . 1 1 31 31 LEU HG H 1 0.713 0.004 . . . . . . . . . . 6573 1 354 . 1 1 31 31 LEU HD11 H 1 0.855 0.006 . . . . . . . . . . 6573 1 355 . 1 1 31 31 LEU HD12 H 1 0.855 0.006 . . . . . . . . . . 6573 1 356 . 1 1 31 31 LEU HD13 H 1 0.855 0.006 . . . . . . . . . . 6573 1 357 . 1 1 31 31 LEU HD21 H 1 0.855 0.006 . . . . . . . . . . 6573 1 358 . 1 1 31 31 LEU HD22 H 1 0.855 0.006 . . . . . . . . . . 6573 1 359 . 1 1 31 31 LEU HD23 H 1 0.855 0.006 . . . . . . . . . . 6573 1 360 . 1 1 31 31 LEU CA C 13 58.545 0.000 . . . . . . . . . . 6573 1 361 . 1 1 31 31 LEU CB C 13 42.738 0.062 . . . . . . . . . . 6573 1 362 . 1 1 31 31 LEU CG C 13 26.452 0.016 . . . . . . . . . . 6573 1 363 . 1 1 31 31 LEU CD1 C 13 22.990 0.010 . . . . . . . . . . 6573 1 364 . 1 1 31 31 LEU N N 15 120.344 0.027 . . . . . . . . . . 6573 1 365 . 1 1 32 32 TYR H H 1 9.213 0.006 . . . . . . . . . . 6573 1 366 . 1 1 32 32 TYR HA H 1 4.113 0.012 . . . . . . . . . . 6573 1 367 . 1 1 32 32 TYR HB2 H 1 2.975 0.002 . . . . . . . . . . 6573 1 368 . 1 1 32 32 TYR HB3 H 1 2.975 0.002 . . . . . . . . . . 6573 1 369 . 1 1 32 32 TYR HD1 H 1 6.754 0.010 . . . . . . . . . . 6573 1 370 . 1 1 32 32 TYR HD2 H 1 6.754 0.010 . . . . . . . . . . 6573 1 371 . 1 1 32 32 TYR HE1 H 1 6.682 0.001 . . . . . . . . . . 6573 1 372 . 1 1 32 32 TYR HE2 H 1 6.682 0.001 . . . . . . . . . . 6573 1 373 . 1 1 32 32 TYR CA C 13 62.576 0.072 . . . . . . . . . . 6573 1 374 . 1 1 32 32 TYR CB C 13 38.950 0.000 . . . . . . . . . . 6573 1 375 . 1 1 32 32 TYR CD1 C 13 132.443 0.029 . . . . . . . . . . 6573 1 376 . 1 1 32 32 TYR CE1 C 13 117.658 0.022 . . . . . . . . . . 6573 1 377 . 1 1 32 32 TYR N N 15 119.658 0.007 . . . . . . . . . . 6573 1 378 . 1 1 33 33 GLN H H 1 8.213 0.007 . . . . . . . . . . 6573 1 379 . 1 1 33 33 GLN HA H 1 3.889 0.006 . . . . . . . . . . 6573 1 380 . 1 1 33 33 GLN HB2 H 1 2.311 0.007 . . . . . . . . . . 6573 1 381 . 1 1 33 33 GLN HB3 H 1 1.986 0.004 . . . . . . . . . . 6573 1 382 . 1 1 33 33 GLN HG2 H 1 2.721 0.004 . . . . . . . . . . 6573 1 383 . 1 1 33 33 GLN HG3 H 1 2.218 0.003 . . . . . . . . . . 6573 1 384 . 1 1 33 33 GLN HE21 H 1 7.353 0.003 . . . . . . . . . . 6573 1 385 . 1 1 33 33 GLN HE22 H 1 6.817 0.004 . . . . . . . . . . 6573 1 386 . 1 1 33 33 GLN CA C 13 59.919 0.020 . . . . . . . . . . 6573 1 387 . 1 1 33 33 GLN CB C 13 28.336 0.060 . . . . . . . . . . 6573 1 388 . 1 1 33 33 GLN CG C 13 34.845 0.050 . . . . . . . . . . 6573 1 389 . 1 1 33 33 GLN N N 15 115.302 0.033 . . . . . . . . . . 6573 1 390 . 1 1 33 33 GLN NE2 N 15 110.316 0.016 . . . . . . . . . . 6573 1 391 . 1 1 34 34 HIS H H 1 8.335 0.009 . . . . . . . . . . 6573 1 392 . 1 1 34 34 HIS HA H 1 4.570 0.003 . . . . . . . . . . 6573 1 393 . 1 1 34 34 HIS HB2 H 1 3.251 0.004 . . . . . . . . . . 6573 1 394 . 1 1 34 34 HIS HB3 H 1 3.154 0.006 . . . . . . . . . . 6573 1 395 . 1 1 34 34 HIS HD2 H 1 7.050 0.006 . . . . . . . . . . 6573 1 396 . 1 1 34 34 HIS HE1 H 1 8.336 0.002 . . . . . . . . . . 6573 1 397 . 1 1 34 34 HIS CA C 13 57.609 0.023 . . . . . . . . . . 6573 1 398 . 1 1 34 34 HIS CB C 13 29.527 0.034 . . . . . . . . . . 6573 1 399 . 1 1 34 34 HIS CD2 C 13 120.077 0.082 . . . . . . . . . . 6573 1 400 . 1 1 34 34 HIS CE1 C 13 137.116 0.000 . . . . . . . . . . 6573 1 401 . 1 1 34 34 HIS N N 15 118.624 0.079 . . . . . . . . . . 6573 1 402 . 1 1 35 35 ALA H H 1 8.878 0.007 . . . . . . . . . . 6573 1 403 . 1 1 35 35 ALA HA H 1 3.907 0.005 . . . . . . . . . . 6573 1 404 . 1 1 35 35 ALA HB1 H 1 1.556 0.003 . . . . . . . . . . 6573 1 405 . 1 1 35 35 ALA HB2 H 1 1.556 0.003 . . . . . . . . . . 6573 1 406 . 1 1 35 35 ALA HB3 H 1 1.556 0.003 . . . . . . . . . . 6573 1 407 . 1 1 35 35 ALA CA C 13 56.266 0.021 . . . . . . . . . . 6573 1 408 . 1 1 35 35 ALA CB C 13 18.472 0.035 . . . . . . . . . . 6573 1 409 . 1 1 35 35 ALA N N 15 122.147 0.016 . . . . . . . . . . 6573 1 410 . 1 1 36 36 VAL H H 1 8.299 0.008 . . . . . . . . . . 6573 1 411 . 1 1 36 36 VAL HA H 1 4.096 0.004 . . . . . . . . . . 6573 1 412 . 1 1 36 36 VAL HB H 1 2.407 0.008 . . . . . . . . . . 6573 1 413 . 1 1 36 36 VAL HG11 H 1 1.123 0.002 . . . . . . . . . . 6573 1 414 . 1 1 36 36 VAL HG12 H 1 1.123 0.002 . . . . . . . . . . 6573 1 415 . 1 1 36 36 VAL HG13 H 1 1.123 0.002 . . . . . . . . . . 6573 1 416 . 1 1 36 36 VAL HG21 H 1 1.400 0.004 . . . . . . . . . . 6573 1 417 . 1 1 36 36 VAL HG22 H 1 1.400 0.004 . . . . . . . . . . 6573 1 418 . 1 1 36 36 VAL HG23 H 1 1.400 0.004 . . . . . . . . . . 6573 1 419 . 1 1 36 36 VAL CA C 13 67.919 0.019 . . . . . . . . . . 6573 1 420 . 1 1 36 36 VAL CB C 13 31.830 0.030 . . . . . . . . . . 6573 1 421 . 1 1 36 36 VAL CG1 C 13 21.291 0.004 . . . . . . . . . . 6573 1 422 . 1 1 36 36 VAL CG2 C 13 24.304 0.022 . . . . . . . . . . 6573 1 423 . 1 1 36 36 VAL N N 15 116.700 0.020 . . . . . . . . . . 6573 1 424 . 1 1 37 37 GLU H H 1 7.634 0.005 . . . . . . . . . . 6573 1 425 . 1 1 37 37 GLU HA H 1 4.018 0.004 . . . . . . . . . . 6573 1 426 . 1 1 37 37 GLU HB2 H 1 2.022 0.003 . . . . . . . . . . 6573 1 427 . 1 1 37 37 GLU HB3 H 1 2.210 0.002 . . . . . . . . . . 6573 1 428 . 1 1 37 37 GLU HG2 H 1 2.445 0.012 . . . . . . . . . . 6573 1 429 . 1 1 37 37 GLU HG3 H 1 2.194 0.001 . . . . . . . . . . 6573 1 430 . 1 1 37 37 GLU CA C 13 60.202 0.000 . . . . . . . . . . 6573 1 431 . 1 1 37 37 GLU CB C 13 29.202 0.042 . . . . . . . . . . 6573 1 432 . 1 1 37 37 GLU CG C 13 36.270 0.000 . . . . . . . . . . 6573 1 433 . 1 1 37 37 GLU N N 15 118.499 0.042 . . . . . . . . . . 6573 1 434 . 1 1 38 38 TYR H H 1 7.714 0.003 . . . . . . . . . . 6573 1 435 . 1 1 38 38 TYR HA H 1 4.395 0.007 . . . . . . . . . . 6573 1 436 . 1 1 38 38 TYR HB2 H 1 2.862 0.009 . . . . . . . . . . 6573 1 437 . 1 1 38 38 TYR HB3 H 1 3.053 0.007 . . . . . . . . . . 6573 1 438 . 1 1 38 38 TYR HD1 H 1 6.946 0.006 . . . . . . . . . . 6573 1 439 . 1 1 38 38 TYR HD2 H 1 6.946 0.006 . . . . . . . . . . 6573 1 440 . 1 1 38 38 TYR HE1 H 1 6.592 0.002 . . . . . . . . . . 6573 1 441 . 1 1 38 38 TYR HE2 H 1 6.592 0.002 . . . . . . . . . . 6573 1 442 . 1 1 38 38 TYR CA C 13 61.312 0.041 . . . . . . . . . . 6573 1 443 . 1 1 38 38 TYR CB C 13 38.085 0.042 . . . . . . . . . . 6573 1 444 . 1 1 38 38 TYR CD1 C 13 131.948 0.030 . . . . . . . . . . 6573 1 445 . 1 1 38 38 TYR CE1 C 13 118.224 0.046 . . . . . . . . . . 6573 1 446 . 1 1 38 38 TYR N N 15 118.946 0.014 . . . . . . . . . . 6573 1 447 . 1 1 39 39 PHE H H 1 9.121 0.007 . . . . . . . . . . 6573 1 448 . 1 1 39 39 PHE HA H 1 4.235 0.008 . . . . . . . . . . 6573 1 449 . 1 1 39 39 PHE HB2 H 1 3.400 0.011 . . . . . . . . . . 6573 1 450 . 1 1 39 39 PHE HB3 H 1 2.850 0.006 . . . . . . . . . . 6573 1 451 . 1 1 39 39 PHE HD1 H 1 7.185 0.005 . . . . . . . . . . 6573 1 452 . 1 1 39 39 PHE HD2 H 1 7.185 0.005 . . . . . . . . . . 6573 1 453 . 1 1 39 39 PHE HE1 H 1 7.225 0.008 . . . . . . . . . . 6573 1 454 . 1 1 39 39 PHE HE2 H 1 7.225 0.008 . . . . . . . . . . 6573 1 455 . 1 1 39 39 PHE CA C 13 62.556 0.030 . . . . . . . . . . 6573 1 456 . 1 1 39 39 PHE CB C 13 39.671 0.040 . . . . . . . . . . 6573 1 457 . 1 1 39 39 PHE CD1 C 13 131.546 0.051 . . . . . . . . . . 6573 1 458 . 1 1 39 39 PHE CE1 C 13 129.456 0.049 . . . . . . . . . . 6573 1 459 . 1 1 39 39 PHE N N 15 121.686 0.019 . . . . . . . . . . 6573 1 460 . 1 1 40 40 LEU H H 1 8.935 0.002 . . . . . . . . . . 6573 1 461 . 1 1 40 40 LEU HA H 1 4.110 0.008 . . . . . . . . . . 6573 1 462 . 1 1 40 40 LEU HB2 H 1 2.060 0.005 . . . . . . . . . . 6573 1 463 . 1 1 40 40 LEU HB3 H 1 1.466 0.007 . . . . . . . . . . 6573 1 464 . 1 1 40 40 LEU HG H 1 1.894 0.001 . . . . . . . . . . 6573 1 465 . 1 1 40 40 LEU HD11 H 1 0.895 0.003 . . . . . . . . . . 6573 1 466 . 1 1 40 40 LEU HD12 H 1 0.895 0.003 . . . . . . . . . . 6573 1 467 . 1 1 40 40 LEU HD13 H 1 0.895 0.003 . . . . . . . . . . 6573 1 468 . 1 1 40 40 LEU HD21 H 1 0.890 0.002 . . . . . . . . . . 6573 1 469 . 1 1 40 40 LEU HD22 H 1 0.890 0.002 . . . . . . . . . . 6573 1 470 . 1 1 40 40 LEU HD23 H 1 0.890 0.002 . . . . . . . . . . 6573 1 471 . 1 1 40 40 LEU CA C 13 58.052 0.052 . . . . . . . . . . 6573 1 472 . 1 1 40 40 LEU CB C 13 41.276 0.087 . . . . . . . . . . 6573 1 473 . 1 1 40 40 LEU CG C 13 26.953 0.000 . . . . . . . . . . 6573 1 474 . 1 1 40 40 LEU CD1 C 13 26.016 0.000 . . . . . . . . . . 6573 1 475 . 1 1 40 40 LEU CD2 C 13 22.723 0.043 . . . . . . . . . . 6573 1 476 . 1 1 40 40 LEU N N 15 117.718 0.010 . . . . . . . . . . 6573 1 477 . 1 1 41 41 HIS H H 1 8.031 0.004 . . . . . . . . . . 6573 1 478 . 1 1 41 41 HIS HA H 1 4.336 0.004 . . . . . . . . . . 6573 1 479 . 1 1 41 41 HIS HB2 H 1 3.573 0.012 . . . . . . . . . . 6573 1 480 . 1 1 41 41 HIS HB3 H 1 3.383 0.004 . . . . . . . . . . 6573 1 481 . 1 1 41 41 HIS HD2 H 1 7.079 0.005 . . . . . . . . . . 6573 1 482 . 1 1 41 41 HIS HE1 H 1 8.119 0.001 . . . . . . . . . . 6573 1 483 . 1 1 41 41 HIS CA C 13 60.245 0.000 . . . . . . . . . . 6573 1 484 . 1 1 41 41 HIS CB C 13 30.139 0.037 . . . . . . . . . . 6573 1 485 . 1 1 41 41 HIS CD2 C 13 119.484 0.046 . . . . . . . . . . 6573 1 486 . 1 1 41 41 HIS CE1 C 13 138.463 0.000 . . . . . . . . . . 6573 1 487 . 1 1 41 41 HIS N N 15 120.414 0.009 . . . . . . . . . . 6573 1 488 . 1 1 42 42 ALA H H 1 8.559 0.006 . . . . . . . . . . 6573 1 489 . 1 1 42 42 ALA HA H 1 4.107 0.007 . . . . . . . . . . 6573 1 490 . 1 1 42 42 ALA HB1 H 1 1.631 0.002 . . . . . . . . . . 6573 1 491 . 1 1 42 42 ALA HB2 H 1 1.631 0.002 . . . . . . . . . . 6573 1 492 . 1 1 42 42 ALA HB3 H 1 1.631 0.002 . . . . . . . . . . 6573 1 493 . 1 1 42 42 ALA CA C 13 55.559 0.020 . . . . . . . . . . 6573 1 494 . 1 1 42 42 ALA CB C 13 18.169 0.002 . . . . . . . . . . 6573 1 495 . 1 1 42 42 ALA N N 15 121.890 0.024 . . . . . . . . . . 6573 1 496 . 1 1 43 43 ILE H H 1 8.144 0.004 . . . . . . . . . . 6573 1 497 . 1 1 43 43 ILE HA H 1 3.651 0.007 . . . . . . . . . . 6573 1 498 . 1 1 43 43 ILE HB H 1 1.969 0.003 . . . . . . . . . . 6573 1 499 . 1 1 43 43 ILE HG12 H 1 1.116 0.004 . . . . . . . . . . 6573 1 500 . 1 1 43 43 ILE HG13 H 1 1.872 0.002 . . . . . . . . . . 6573 1 501 . 1 1 43 43 ILE HG21 H 1 0.900 0.006 . . . . . . . . . . 6573 1 502 . 1 1 43 43 ILE HG22 H 1 0.900 0.006 . . . . . . . . . . 6573 1 503 . 1 1 43 43 ILE HG23 H 1 0.900 0.006 . . . . . . . . . . 6573 1 504 . 1 1 43 43 ILE HD11 H 1 0.858 0.005 . . . . . . . . . . 6573 1 505 . 1 1 43 43 ILE HD12 H 1 0.858 0.005 . . . . . . . . . . 6573 1 506 . 1 1 43 43 ILE HD13 H 1 0.858 0.005 . . . . . . . . . . 6573 1 507 . 1 1 43 43 ILE CA C 13 65.556 0.000 . . . . . . . . . . 6573 1 508 . 1 1 43 43 ILE CB C 13 38.478 0.000 . . . . . . . . . . 6573 1 509 . 1 1 43 43 ILE CG1 C 13 29.517 0.013 . . . . . . . . . . 6573 1 510 . 1 1 43 43 ILE CG2 C 13 17.828 0.000 . . . . . . . . . . 6573 1 511 . 1 1 43 43 ILE CD1 C 13 14.465 0.008 . . . . . . . . . . 6573 1 512 . 1 1 43 43 ILE N N 15 115.056 0.013 . . . . . . . . . . 6573 1 513 . 1 1 44 44 LYS H H 1 7.473 0.002 . . . . . . . . . . 6573 1 514 . 1 1 44 44 LYS HA H 1 3.924 0.004 . . . . . . . . . . 6573 1 515 . 1 1 44 44 LYS HB2 H 1 1.477 0.005 . . . . . . . . . . 6573 1 516 . 1 1 44 44 LYS HB3 H 1 1.176 0.008 . . . . . . . . . . 6573 1 517 . 1 1 44 44 LYS HG2 H 1 1.049 0.004 . . . . . . . . . . 6573 1 518 . 1 1 44 44 LYS HG3 H 1 0.497 0.003 . . . . . . . . . . 6573 1 519 . 1 1 44 44 LYS HD2 H 1 1.442 0.002 . . . . . . . . . . 6573 1 520 . 1 1 44 44 LYS HD3 H 1 1.442 0.002 . . . . . . . . . . 6573 1 521 . 1 1 44 44 LYS HE2 H 1 2.783 0.001 . . . . . . . . . . 6573 1 522 . 1 1 44 44 LYS HE3 H 1 2.783 0.001 . . . . . . . . . . 6573 1 523 . 1 1 44 44 LYS CA C 13 59.004 0.005 . . . . . . . . . . 6573 1 524 . 1 1 44 44 LYS CB C 13 33.502 0.017 . . . . . . . . . . 6573 1 525 . 1 1 44 44 LYS CG C 13 25.068 0.012 . . . . . . . . . . 6573 1 526 . 1 1 44 44 LYS CD C 13 29.460 0.000 . . . . . . . . . . 6573 1 527 . 1 1 44 44 LYS CE C 13 42.093 0.005 . . . . . . . . . . 6573 1 528 . 1 1 44 44 LYS N N 15 118.102 0.013 . . . . . . . . . . 6573 1 529 . 1 1 45 45 TYR H H 1 8.095 0.004 . . . . . . . . . . 6573 1 530 . 1 1 45 45 TYR HA H 1 4.699 0.007 . . . . . . . . . . 6573 1 531 . 1 1 45 45 TYR HB2 H 1 3.216 0.004 . . . . . . . . . . 6573 1 532 . 1 1 45 45 TYR HB3 H 1 2.350 0.008 . . . . . . . . . . 6573 1 533 . 1 1 45 45 TYR HD1 H 1 6.815 0.002 . . . . . . . . . . 6573 1 534 . 1 1 45 45 TYR HD2 H 1 6.815 0.002 . . . . . . . . . . 6573 1 535 . 1 1 45 45 TYR HE1 H 1 6.741 0.004 . . . . . . . . . . 6573 1 536 . 1 1 45 45 TYR HE2 H 1 6.741 0.004 . . . . . . . . . . 6573 1 537 . 1 1 45 45 TYR CA C 13 59.359 0.011 . . . . . . . . . . 6573 1 538 . 1 1 45 45 TYR CB C 13 40.487 0.026 . . . . . . . . . . 6573 1 539 . 1 1 45 45 TYR CD1 C 13 133.349 0.030 . . . . . . . . . . 6573 1 540 . 1 1 45 45 TYR CE1 C 13 117.900 0.000 . . . . . . . . . . 6573 1 541 . 1 1 45 45 TYR N N 15 112.657 0.017 . . . . . . . . . . 6573 1 542 . 1 1 46 46 GLU H H 1 8.040 0.003 . . . . . . . . . . 6573 1 543 . 1 1 46 46 GLU HA H 1 4.667 0.006 . . . . . . . . . . 6573 1 544 . 1 1 46 46 GLU HB2 H 1 2.090 0.005 . . . . . . . . . . 6573 1 545 . 1 1 46 46 GLU HB3 H 1 2.090 0.005 . . . . . . . . . . 6573 1 546 . 1 1 46 46 GLU HG2 H 1 2.412 0.004 . . . . . . . . . . 6573 1 547 . 1 1 46 46 GLU HG3 H 1 2.412 0.004 . . . . . . . . . . 6573 1 548 . 1 1 46 46 GLU CA C 13 55.707 0.000 . . . . . . . . . . 6573 1 549 . 1 1 46 46 GLU CB C 13 32.070 0.000 . . . . . . . . . . 6573 1 550 . 1 1 46 46 GLU CG C 13 36.842 0.000 . . . . . . . . . . 6573 1 551 . 1 1 46 46 GLU N N 15 118.151 0.031 . . . . . . . . . . 6573 1 552 . 1 1 47 47 ALA H H 1 7.938 0.001 . . . . . . . . . . 6573 1 553 . 1 1 47 47 ALA HA H 1 4.436 0.003 . . . . . . . . . . 6573 1 554 . 1 1 47 47 ALA HB1 H 1 1.245 0.001 . . . . . . . . . . 6573 1 555 . 1 1 47 47 ALA HB2 H 1 1.245 0.001 . . . . . . . . . . 6573 1 556 . 1 1 47 47 ALA HB3 H 1 1.245 0.001 . . . . . . . . . . 6573 1 557 . 1 1 47 47 ALA CA C 13 51.882 0.025 . . . . . . . . . . 6573 1 558 . 1 1 47 47 ALA CB C 13 18.624 0.003 . . . . . . . . . . 6573 1 559 . 1 1 47 47 ALA N N 15 124.009 0.007 . . . . . . . . . . 6573 1 560 . 1 1 48 48 HIS HA H 1 4.739 0.001 . . . . . . . . . . 6573 1 561 . 1 1 48 48 HIS HB2 H 1 3.252 0.005 . . . . . . . . . . 6573 1 562 . 1 1 48 48 HIS HB3 H 1 2.835 0.003 . . . . . . . . . . 6573 1 563 . 1 1 48 48 HIS HD2 H 1 7.098 0.002 . . . . . . . . . . 6573 1 564 . 1 1 48 48 HIS HE1 H 1 7.841 0.001 . . . . . . . . . . 6573 1 565 . 1 1 48 48 HIS CB C 13 32.282 0.019 . . . . . . . . . . 6573 1 566 . 1 1 48 48 HIS CD2 C 13 119.362 0.027 . . . . . . . . . . 6573 1 567 . 1 1 48 48 HIS CE1 C 13 137.937 0.000 . . . . . . . . . . 6573 1 568 . 1 1 49 49 SER H H 1 8.451 0.002 . . . . . . . . . . 6573 1 569 . 1 1 49 49 SER HA H 1 4.577 0.009 . . . . . . . . . . 6573 1 570 . 1 1 49 49 SER HB2 H 1 4.334 0.004 . . . . . . . . . . 6573 1 571 . 1 1 49 49 SER HB3 H 1 4.079 0.004 . . . . . . . . . . 6573 1 572 . 1 1 49 49 SER CB C 13 65.193 0.026 . . . . . . . . . . 6573 1 573 . 1 1 49 49 SER N N 15 116.068 0.012 . . . . . . . . . . 6573 1 574 . 1 1 50 50 ASP H H 1 9.015 0.004 . . . . . . . . . . 6573 1 575 . 1 1 50 50 ASP HA H 1 4.359 0.007 . . . . . . . . . . 6573 1 576 . 1 1 50 50 ASP HB2 H 1 2.737 0.003 . . . . . . . . . . 6573 1 577 . 1 1 50 50 ASP HB3 H 1 2.650 0.003 . . . . . . . . . . 6573 1 578 . 1 1 50 50 ASP CA C 13 58.164 0.037 . . . . . . . . . . 6573 1 579 . 1 1 50 50 ASP CB C 13 39.846 0.032 . . . . . . . . . . 6573 1 580 . 1 1 50 50 ASP N N 15 122.907 0.015 . . . . . . . . . . 6573 1 581 . 1 1 51 51 LYS H H 1 8.463 0.004 . . . . . . . . . . 6573 1 582 . 1 1 51 51 LYS HA H 1 4.054 0.007 . . . . . . . . . . 6573 1 583 . 1 1 51 51 LYS HB2 H 1 1.840 0.004 . . . . . . . . . . 6573 1 584 . 1 1 51 51 LYS HB3 H 1 1.774 0.005 . . . . . . . . . . 6573 1 585 . 1 1 51 51 LYS HG2 H 1 1.444 0.005 . . . . . . . . . . 6573 1 586 . 1 1 51 51 LYS HG3 H 1 1.444 0.005 . . . . . . . . . . 6573 1 587 . 1 1 51 51 LYS HD2 H 1 1.664 0.001 . . . . . . . . . . 6573 1 588 . 1 1 51 51 LYS HD3 H 1 1.664 0.001 . . . . . . . . . . 6573 1 589 . 1 1 51 51 LYS HE2 H 1 2.973 0.001 . . . . . . . . . . 6573 1 590 . 1 1 51 51 LYS HE3 H 1 2.973 0.001 . . . . . . . . . . 6573 1 591 . 1 1 51 51 LYS CA C 13 59.191 0.036 . . . . . . . . . . 6573 1 592 . 1 1 51 51 LYS CB C 13 32.236 0.008 . . . . . . . . . . 6573 1 593 . 1 1 51 51 LYS CG C 13 24.991 0.000 . . . . . . . . . . 6573 1 594 . 1 1 51 51 LYS CD C 13 29.100 0.000 . . . . . . . . . . 6573 1 595 . 1 1 51 51 LYS CE C 13 42.180 0.000 . . . . . . . . . . 6573 1 596 . 1 1 51 51 LYS N N 15 120.133 0.022 . . . . . . . . . . 6573 1 597 . 1 1 52 52 ALA H H 1 7.953 0.002 . . . . . . . . . . 6573 1 598 . 1 1 52 52 ALA HA H 1 4.178 0.002 . . . . . . . . . . 6573 1 599 . 1 1 52 52 ALA HB1 H 1 1.552 0.002 . . . . . . . . . . 6573 1 600 . 1 1 52 52 ALA HB2 H 1 1.552 0.002 . . . . . . . . . . 6573 1 601 . 1 1 52 52 ALA HB3 H 1 1.552 0.002 . . . . . . . . . . 6573 1 602 . 1 1 52 52 ALA CA C 13 55.114 0.007 . . . . . . . . . . 6573 1 603 . 1 1 52 52 ALA CB C 13 18.613 0.006 . . . . . . . . . . 6573 1 604 . 1 1 52 52 ALA N N 15 123.546 0.027 . . . . . . . . . . 6573 1 605 . 1 1 53 53 LYS H H 1 8.408 0.002 . . . . . . . . . . 6573 1 606 . 1 1 53 53 LYS HA H 1 3.741 0.002 . . . . . . . . . . 6573 1 607 . 1 1 53 53 LYS HB2 H 1 2.062 0.005 . . . . . . . . . . 6573 1 608 . 1 1 53 53 LYS HB3 H 1 1.804 0.000 . . . . . . . . . . 6573 1 609 . 1 1 53 53 LYS HG2 H 1 1.778 0.000 . . . . . . . . . . 6573 1 610 . 1 1 53 53 LYS HG3 H 1 1.269 0.004 . . . . . . . . . . 6573 1 611 . 1 1 53 53 LYS HD2 H 1 1.764 0.009 . . . . . . . . . . 6573 1 612 . 1 1 53 53 LYS HD3 H 1 1.764 0.009 . . . . . . . . . . 6573 1 613 . 1 1 53 53 LYS HE2 H 1 3.122 0.002 . . . . . . . . . . 6573 1 614 . 1 1 53 53 LYS HE3 H 1 3.071 0.001 . . . . . . . . . . 6573 1 615 . 1 1 53 53 LYS CA C 13 61.162 0.009 . . . . . . . . . . 6573 1 616 . 1 1 53 53 LYS CB C 13 32.920 0.000 . . . . . . . . . . 6573 1 617 . 1 1 53 53 LYS CG C 13 27.499 0.000 . . . . . . . . . . 6573 1 618 . 1 1 53 53 LYS CD C 13 30.017 0.000 . . . . . . . . . . 6573 1 619 . 1 1 53 53 LYS CE C 13 42.374 0.000 . . . . . . . . . . 6573 1 620 . 1 1 53 53 LYS N N 15 117.536 0.014 . . . . . . . . . . 6573 1 621 . 1 1 54 54 GLU H H 1 8.175 0.004 . . . . . . . . . . 6573 1 622 . 1 1 54 54 GLU HA H 1 4.034 0.004 . . . . . . . . . . 6573 1 623 . 1 1 54 54 GLU HB2 H 1 2.096 0.008 . . . . . . . . . . 6573 1 624 . 1 1 54 54 GLU HB3 H 1 2.096 0.008 . . . . . . . . . . 6573 1 625 . 1 1 54 54 GLU HG2 H 1 2.325 0.011 . . . . . . . . . . 6573 1 626 . 1 1 54 54 GLU HG3 H 1 2.325 0.011 . . . . . . . . . . 6573 1 627 . 1 1 54 54 GLU CA C 13 59.259 0.027 . . . . . . . . . . 6573 1 628 . 1 1 54 54 GLU CB C 13 29.355 0.055 . . . . . . . . . . 6573 1 629 . 1 1 54 54 GLU CG C 13 35.954 0.055 . . . . . . . . . . 6573 1 630 . 1 1 54 54 GLU N N 15 118.821 0.015 . . . . . . . . . . 6573 1 631 . 1 1 55 55 SER H H 1 7.852 0.004 . . . . . . . . . . 6573 1 632 . 1 1 55 55 SER HA H 1 4.249 0.005 . . . . . . . . . . 6573 1 633 . 1 1 55 55 SER HB2 H 1 4.001 0.005 . . . . . . . . . . 6573 1 634 . 1 1 55 55 SER HB3 H 1 3.982 0.009 . . . . . . . . . . 6573 1 635 . 1 1 55 55 SER CA C 13 61.448 0.000 . . . . . . . . . . 6573 1 636 . 1 1 55 55 SER CB C 13 62.879 0.000 . . . . . . . . . . 6573 1 637 . 1 1 55 55 SER N N 15 115.530 0.010 . . . . . . . . . . 6573 1 638 . 1 1 56 56 ILE H H 1 8.031 0.003 . . . . . . . . . . 6573 1 639 . 1 1 56 56 ILE HA H 1 3.397 0.007 . . . . . . . . . . 6573 1 640 . 1 1 56 56 ILE HB H 1 1.751 0.003 . . . . . . . . . . 6573 1 641 . 1 1 56 56 ILE HG12 H 1 1.896 0.006 . . . . . . . . . . 6573 1 642 . 1 1 56 56 ILE HG13 H 1 0.887 0.000 . . . . . . . . . . 6573 1 643 . 1 1 56 56 ILE HG21 H 1 0.890 0.002 . . . . . . . . . . 6573 1 644 . 1 1 56 56 ILE HG22 H 1 0.890 0.002 . . . . . . . . . . 6573 1 645 . 1 1 56 56 ILE HG23 H 1 0.890 0.002 . . . . . . . . . . 6573 1 646 . 1 1 56 56 ILE HD11 H 1 0.674 0.003 . . . . . . . . . . 6573 1 647 . 1 1 56 56 ILE HD12 H 1 0.674 0.003 . . . . . . . . . . 6573 1 648 . 1 1 56 56 ILE HD13 H 1 0.674 0.003 . . . . . . . . . . 6573 1 649 . 1 1 56 56 ILE CA C 13 65.524 0.013 . . . . . . . . . . 6573 1 650 . 1 1 56 56 ILE CB C 13 38.162 0.014 . . . . . . . . . . 6573 1 651 . 1 1 56 56 ILE CG1 C 13 29.020 0.000 . . . . . . . . . . 6573 1 652 . 1 1 56 56 ILE CG2 C 13 19.487 0.012 . . . . . . . . . . 6573 1 653 . 1 1 56 56 ILE CD1 C 13 13.925 0.004 . . . . . . . . . . 6573 1 654 . 1 1 56 56 ILE N N 15 121.704 0.011 . . . . . . . . . . 6573 1 655 . 1 1 57 57 ARG H H 1 8.605 0.006 . . . . . . . . . . 6573 1 656 . 1 1 57 57 ARG HA H 1 3.710 0.007 . . . . . . . . . . 6573 1 657 . 1 1 57 57 ARG HB2 H 1 1.853 0.005 . . . . . . . . . . 6573 1 658 . 1 1 57 57 ARG HB3 H 1 1.853 0.005 . . . . . . . . . . 6573 1 659 . 1 1 57 57 ARG HG2 H 1 1.526 0.007 . . . . . . . . . . 6573 1 660 . 1 1 57 57 ARG HG3 H 1 1.725 0.009 . . . . . . . . . . 6573 1 661 . 1 1 57 57 ARG HD2 H 1 3.139 0.006 . . . . . . . . . . 6573 1 662 . 1 1 57 57 ARG HD3 H 1 3.139 0.006 . . . . . . . . . . 6573 1 663 . 1 1 57 57 ARG HE H 1 7.522 0.001 . . . . . . . . . . 6573 1 664 . 1 1 57 57 ARG CA C 13 60.755 0.009 . . . . . . . . . . 6573 1 665 . 1 1 57 57 ARG CB C 13 29.900 0.020 . . . . . . . . . . 6573 1 666 . 1 1 57 57 ARG CG C 13 28.274 0.000 . . . . . . . . . . 6573 1 667 . 1 1 57 57 ARG CD C 13 43.216 0.000 . . . . . . . . . . 6573 1 668 . 1 1 57 57 ARG N N 15 121.702 0.020 . . . . . . . . . . 6573 1 669 . 1 1 57 57 ARG NE N 15 84.485 0.009 . . . . . . . . . . 6573 1 670 . 1 1 58 58 ALA H H 1 7.788 0.002 . . . . . . . . . . 6573 1 671 . 1 1 58 58 ALA HA H 1 3.998 0.008 . . . . . . . . . . 6573 1 672 . 1 1 58 58 ALA HB1 H 1 1.427 0.003 . . . . . . . . . . 6573 1 673 . 1 1 58 58 ALA HB2 H 1 1.427 0.003 . . . . . . . . . . 6573 1 674 . 1 1 58 58 ALA HB3 H 1 1.427 0.003 . . . . . . . . . . 6573 1 675 . 1 1 58 58 ALA CA C 13 55.142 0.000 . . . . . . . . . . 6573 1 676 . 1 1 58 58 ALA CB C 13 17.786 0.004 . . . . . . . . . . 6573 1 677 . 1 1 58 58 ALA N N 15 119.449 0.010 . . . . . . . . . . 6573 1 678 . 1 1 59 59 LYS H H 1 7.391 0.002 . . . . . . . . . . 6573 1 679 . 1 1 59 59 LYS HA H 1 3.746 0.010 . . . . . . . . . . 6573 1 680 . 1 1 59 59 LYS HB2 H 1 1.583 0.001 . . . . . . . . . . 6573 1 681 . 1 1 59 59 LYS HB3 H 1 1.389 0.001 . . . . . . . . . . 6573 1 682 . 1 1 59 59 LYS HG2 H 1 1.376 0.000 . . . . . . . . . . 6573 1 683 . 1 1 59 59 LYS HG3 H 1 1.376 0.000 . . . . . . . . . . 6573 1 684 . 1 1 59 59 LYS HD2 H 1 1.413 0.002 . . . . . . . . . . 6573 1 685 . 1 1 59 59 LYS HD3 H 1 1.454 0.000 . . . . . . . . . . 6573 1 686 . 1 1 59 59 LYS HE2 H 1 2.941 0.006 . . . . . . . . . . 6573 1 687 . 1 1 59 59 LYS HE3 H 1 2.941 0.006 . . . . . . . . . . 6573 1 688 . 1 1 59 59 LYS CA C 13 58.664 0.000 . . . . . . . . . . 6573 1 689 . 1 1 59 59 LYS CB C 13 31.462 0.048 . . . . . . . . . . 6573 1 690 . 1 1 59 59 LYS CG C 13 25.440 0.000 . . . . . . . . . . 6573 1 691 . 1 1 59 59 LYS CD C 13 29.392 0.000 . . . . . . . . . . 6573 1 692 . 1 1 59 59 LYS CE C 13 42.180 0.000 . . . . . . . . . . 6573 1 693 . 1 1 59 59 LYS N N 15 118.550 0.018 . . . . . . . . . . 6573 1 694 . 1 1 60 60 CYS H H 1 7.999 0.007 . . . . . . . . . . 6573 1 695 . 1 1 60 60 CYS HA H 1 3.945 0.004 . . . . . . . . . . 6573 1 696 . 1 1 60 60 CYS HB2 H 1 3.146 0.006 . . . . . . . . . . 6573 1 697 . 1 1 60 60 CYS HB3 H 1 2.722 0.005 . . . . . . . . . . 6573 1 698 . 1 1 60 60 CYS CA C 13 64.678 0.040 . . . . . . . . . . 6573 1 699 . 1 1 60 60 CYS CB C 13 26.619 0.010 . . . . . . . . . . 6573 1 700 . 1 1 60 60 CYS N N 15 116.525 0.034 . . . . . . . . . . 6573 1 701 . 1 1 61 61 VAL H H 1 7.743 0.002 . . . . . . . . . . 6573 1 702 . 1 1 61 61 VAL HA H 1 3.513 0.005 . . . . . . . . . . 6573 1 703 . 1 1 61 61 VAL HB H 1 2.030 0.003 . . . . . . . . . . 6573 1 704 . 1 1 61 61 VAL HG11 H 1 0.864 0.002 . . . . . . . . . . 6573 1 705 . 1 1 61 61 VAL HG12 H 1 0.864 0.002 . . . . . . . . . . 6573 1 706 . 1 1 61 61 VAL HG13 H 1 0.864 0.002 . . . . . . . . . . 6573 1 707 . 1 1 61 61 VAL HG21 H 1 0.999 0.003 . . . . . . . . . . 6573 1 708 . 1 1 61 61 VAL HG22 H 1 0.999 0.003 . . . . . . . . . . 6573 1 709 . 1 1 61 61 VAL HG23 H 1 0.999 0.003 . . . . . . . . . . 6573 1 710 . 1 1 61 61 VAL CA C 13 66.608 0.047 . . . . . . . . . . 6573 1 711 . 1 1 61 61 VAL CB C 13 31.846 0.017 . . . . . . . . . . 6573 1 712 . 1 1 61 61 VAL CG1 C 13 21.145 0.083 . . . . . . . . . . 6573 1 713 . 1 1 61 61 VAL CG2 C 13 22.422 0.010 . . . . . . . . . . 6573 1 714 . 1 1 61 61 VAL N N 15 117.558 0.007 . . . . . . . . . . 6573 1 715 . 1 1 62 62 GLN H H 1 7.168 0.003 . . . . . . . . . . 6573 1 716 . 1 1 62 62 GLN HA H 1 3.962 0.004 . . . . . . . . . . 6573 1 717 . 1 1 62 62 GLN HB2 H 1 1.860 0.003 . . . . . . . . . . 6573 1 718 . 1 1 62 62 GLN HB3 H 1 1.696 0.002 . . . . . . . . . . 6573 1 719 . 1 1 62 62 GLN HG2 H 1 2.144 0.007 . . . . . . . . . . 6573 1 720 . 1 1 62 62 GLN HG3 H 1 1.878 0.004 . . . . . . . . . . 6573 1 721 . 1 1 62 62 GLN HE21 H 1 7.183 0.001 . . . . . . . . . . 6573 1 722 . 1 1 62 62 GLN HE22 H 1 6.699 0.001 . . . . . . . . . . 6573 1 723 . 1 1 62 62 GLN CA C 13 58.700 0.003 . . . . . . . . . . 6573 1 724 . 1 1 62 62 GLN CB C 13 27.974 0.046 . . . . . . . . . . 6573 1 725 . 1 1 62 62 GLN CG C 13 33.083 0.005 . . . . . . . . . . 6573 1 726 . 1 1 62 62 GLN N N 15 118.705 0.014 . . . . . . . . . . 6573 1 727 . 1 1 62 62 GLN NE2 N 15 110.626 0.021 . . . . . . . . . . 6573 1 728 . 1 1 63 63 TYR H H 1 8.063 0.006 . . . . . . . . . . 6573 1 729 . 1 1 63 63 TYR HA H 1 4.256 0.004 . . . . . . . . . . 6573 1 730 . 1 1 63 63 TYR HB2 H 1 3.111 0.004 . . . . . . . . . . 6573 1 731 . 1 1 63 63 TYR HB3 H 1 2.798 0.001 . . . . . . . . . . 6573 1 732 . 1 1 63 63 TYR HD1 H 1 6.968 0.005 . . . . . . . . . . 6573 1 733 . 1 1 63 63 TYR HD2 H 1 6.968 0.005 . . . . . . . . . . 6573 1 734 . 1 1 63 63 TYR HE1 H 1 6.752 0.005 . . . . . . . . . . 6573 1 735 . 1 1 63 63 TYR HE2 H 1 6.752 0.005 . . . . . . . . . . 6573 1 736 . 1 1 63 63 TYR CA C 13 60.165 0.000 . . . . . . . . . . 6573 1 737 . 1 1 63 63 TYR CB C 13 37.017 0.029 . . . . . . . . . . 6573 1 738 . 1 1 63 63 TYR CD1 C 13 132.440 0.070 . . . . . . . . . . 6573 1 739 . 1 1 63 63 TYR CE1 C 13 118.575 0.043 . . . . . . . . . . 6573 1 740 . 1 1 63 63 TYR N N 15 120.055 0.017 . . . . . . . . . . 6573 1 741 . 1 1 64 64 LEU H H 1 8.601 0.006 . . . . . . . . . . 6573 1 742 . 1 1 64 64 LEU HA H 1 4.137 0.006 . . . . . . . . . . 6573 1 743 . 1 1 64 64 LEU HB2 H 1 1.925 0.006 . . . . . . . . . . 6573 1 744 . 1 1 64 64 LEU HB3 H 1 1.552 0.008 . . . . . . . . . . 6573 1 745 . 1 1 64 64 LEU HG H 1 0.898 0.005 . . . . . . . . . . 6573 1 746 . 1 1 64 64 LEU HD11 H 1 0.931 0.001 . . . . . . . . . . 6573 1 747 . 1 1 64 64 LEU HD12 H 1 0.931 0.001 . . . . . . . . . . 6573 1 748 . 1 1 64 64 LEU HD13 H 1 0.931 0.001 . . . . . . . . . . 6573 1 749 . 1 1 64 64 LEU HD21 H 1 0.931 0.001 . . . . . . . . . . 6573 1 750 . 1 1 64 64 LEU HD22 H 1 0.931 0.001 . . . . . . . . . . 6573 1 751 . 1 1 64 64 LEU HD23 H 1 0.931 0.001 . . . . . . . . . . 6573 1 752 . 1 1 64 64 LEU CA C 13 57.988 0.028 . . . . . . . . . . 6573 1 753 . 1 1 64 64 LEU CB C 13 41.364 0.067 . . . . . . . . . . 6573 1 754 . 1 1 64 64 LEU CG C 13 25.002 0.038 . . . . . . . . . . 6573 1 755 . 1 1 64 64 LEU CD1 C 13 22.843 0.009 . . . . . . . . . . 6573 1 756 . 1 1 64 64 LEU N N 15 120.776 0.015 . . . . . . . . . . 6573 1 757 . 1 1 65 65 ASP H H 1 8.008 0.004 . . . . . . . . . . 6573 1 758 . 1 1 65 65 ASP HA H 1 4.351 0.005 . . . . . . . . . . 6573 1 759 . 1 1 65 65 ASP HB2 H 1 2.707 0.004 . . . . . . . . . . 6573 1 760 . 1 1 65 65 ASP HB3 H 1 2.593 0.003 . . . . . . . . . . 6573 1 761 . 1 1 65 65 ASP CA C 13 57.613 0.000 . . . . . . . . . . 6573 1 762 . 1 1 65 65 ASP CB C 13 41.066 0.034 . . . . . . . . . . 6573 1 763 . 1 1 65 65 ASP N N 15 120.418 0.014 . . . . . . . . . . 6573 1 764 . 1 1 66 66 ARG H H 1 7.610 0.006 . . . . . . . . . . 6573 1 765 . 1 1 66 66 ARG HA H 1 3.988 0.008 . . . . . . . . . . 6573 1 766 . 1 1 66 66 ARG HB2 H 1 1.587 0.001 . . . . . . . . . . 6573 1 767 . 1 1 66 66 ARG HB3 H 1 1.425 0.001 . . . . . . . . . . 6573 1 768 . 1 1 66 66 ARG HG2 H 1 1.675 0.002 . . . . . . . . . . 6573 1 769 . 1 1 66 66 ARG HG3 H 1 1.675 0.002 . . . . . . . . . . 6573 1 770 . 1 1 66 66 ARG HD2 H 1 2.992 0.003 . . . . . . . . . . 6573 1 771 . 1 1 66 66 ARG HD3 H 1 2.992 0.003 . . . . . . . . . . 6573 1 772 . 1 1 66 66 ARG HE H 1 9.091 0.007 . . . . . . . . . . 6573 1 773 . 1 1 66 66 ARG CA C 13 57.420 0.000 . . . . . . . . . . 6573 1 774 . 1 1 66 66 ARG CB C 13 29.047 0.000 . . . . . . . . . . 6573 1 775 . 1 1 66 66 ARG CG C 13 25.645 0.000 . . . . . . . . . . 6573 1 776 . 1 1 66 66 ARG CD C 13 43.300 0.000 . . . . . . . . . . 6573 1 777 . 1 1 66 66 ARG N N 15 119.423 0.007 . . . . . . . . . . 6573 1 778 . 1 1 66 66 ARG NE N 15 85.848 0.016 . . . . . . . . . . 6573 1 779 . 1 1 67 67 ALA H H 1 8.226 0.006 . . . . . . . . . . 6573 1 780 . 1 1 67 67 ALA HA H 1 3.899 0.003 . . . . . . . . . . 6573 1 781 . 1 1 67 67 ALA HB1 H 1 1.521 0.003 . . . . . . . . . . 6573 1 782 . 1 1 67 67 ALA HB2 H 1 1.521 0.003 . . . . . . . . . . 6573 1 783 . 1 1 67 67 ALA HB3 H 1 1.521 0.003 . . . . . . . . . . 6573 1 784 . 1 1 67 67 ALA CA C 13 55.568 0.014 . . . . . . . . . . 6573 1 785 . 1 1 67 67 ALA CB C 13 17.596 0.004 . . . . . . . . . . 6573 1 786 . 1 1 67 67 ALA N N 15 120.571 0.024 . . . . . . . . . . 6573 1 787 . 1 1 68 68 GLU H H 1 8.004 0.001 . . . . . . . . . . 6573 1 788 . 1 1 68 68 GLU HA H 1 3.888 0.002 . . . . . . . . . . 6573 1 789 . 1 1 68 68 GLU HB2 H 1 2.145 0.008 . . . . . . . . . . 6573 1 790 . 1 1 68 68 GLU HB3 H 1 2.145 0.008 . . . . . . . . . . 6573 1 791 . 1 1 68 68 GLU HG2 H 1 2.373 0.007 . . . . . . . . . . 6573 1 792 . 1 1 68 68 GLU HG3 H 1 2.373 0.007 . . . . . . . . . . 6573 1 793 . 1 1 68 68 GLU CA C 13 59.405 0.000 . . . . . . . . . . 6573 1 794 . 1 1 68 68 GLU CB C 13 29.160 0.000 . . . . . . . . . . 6573 1 795 . 1 1 68 68 GLU CG C 13 35.961 0.000 . . . . . . . . . . 6573 1 796 . 1 1 68 68 GLU N N 15 117.197 0.050 . . . . . . . . . . 6573 1 797 . 1 1 69 69 LYS H H 1 7.778 0.004 . . . . . . . . . . 6573 1 798 . 1 1 69 69 LYS HA H 1 4.023 0.003 . . . . . . . . . . 6573 1 799 . 1 1 69 69 LYS HB2 H 1 1.939 0.003 . . . . . . . . . . 6573 1 800 . 1 1 69 69 LYS HB3 H 1 1.734 0.002 . . . . . . . . . . 6573 1 801 . 1 1 69 69 LYS HG2 H 1 1.448 0.008 . . . . . . . . . . 6573 1 802 . 1 1 69 69 LYS HG3 H 1 1.448 0.008 . . . . . . . . . . 6573 1 803 . 1 1 69 69 LYS HD2 H 1 1.603 0.002 . . . . . . . . . . 6573 1 804 . 1 1 69 69 LYS HD3 H 1 1.603 0.002 . . . . . . . . . . 6573 1 805 . 1 1 69 69 LYS HE2 H 1 2.912 0.003 . . . . . . . . . . 6573 1 806 . 1 1 69 69 LYS HE3 H 1 2.912 0.003 . . . . . . . . . . 6573 1 807 . 1 1 69 69 LYS CA C 13 58.700 0.060 . . . . . . . . . . 6573 1 808 . 1 1 69 69 LYS CB C 13 31.670 0.037 . . . . . . . . . . 6573 1 809 . 1 1 69 69 LYS CG C 13 25.425 0.000 . . . . . . . . . . 6573 1 810 . 1 1 69 69 LYS CD C 13 28.292 0.000 . . . . . . . . . . 6573 1 811 . 1 1 69 69 LYS CE C 13 42.203 0.017 . . . . . . . . . . 6573 1 812 . 1 1 69 69 LYS N N 15 120.185 0.009 . . . . . . . . . . 6573 1 813 . 1 1 70 70 LEU H H 1 8.272 0.006 . . . . . . . . . . 6573 1 814 . 1 1 70 70 LEU HA H 1 3.834 0.009 . . . . . . . . . . 6573 1 815 . 1 1 70 70 LEU HB2 H 1 2.117 0.004 . . . . . . . . . . 6573 1 816 . 1 1 70 70 LEU HB3 H 1 1.286 0.005 . . . . . . . . . . 6573 1 817 . 1 1 70 70 LEU HG H 1 1.786 0.004 . . . . . . . . . . 6573 1 818 . 1 1 70 70 LEU HD11 H 1 1.052 0.005 . . . . . . . . . . 6573 1 819 . 1 1 70 70 LEU HD12 H 1 1.052 0.005 . . . . . . . . . . 6573 1 820 . 1 1 70 70 LEU HD13 H 1 1.052 0.005 . . . . . . . . . . 6573 1 821 . 1 1 70 70 LEU HD21 H 1 0.686 0.002 . . . . . . . . . . 6573 1 822 . 1 1 70 70 LEU HD22 H 1 0.686 0.002 . . . . . . . . . . 6573 1 823 . 1 1 70 70 LEU HD23 H 1 0.686 0.002 . . . . . . . . . . 6573 1 824 . 1 1 70 70 LEU CA C 13 58.060 0.022 . . . . . . . . . . 6573 1 825 . 1 1 70 70 LEU CB C 13 41.904 0.024 . . . . . . . . . . 6573 1 826 . 1 1 70 70 LEU CG C 13 26.953 0.000 . . . . . . . . . . 6573 1 827 . 1 1 70 70 LEU CD1 C 13 25.768 0.019 . . . . . . . . . . 6573 1 828 . 1 1 70 70 LEU CD2 C 13 23.405 0.005 . . . . . . . . . . 6573 1 829 . 1 1 70 70 LEU N N 15 120.246 0.014 . . . . . . . . . . 6573 1 830 . 1 1 71 71 LYS H H 1 8.368 0.002 . . . . . . . . . . 6573 1 831 . 1 1 71 71 LYS HA H 1 3.832 0.002 . . . . . . . . . . 6573 1 832 . 1 1 71 71 LYS HB2 H 1 1.951 0.000 . . . . . . . . . . 6573 1 833 . 1 1 71 71 LYS HB3 H 1 1.951 0.000 . . . . . . . . . . 6573 1 834 . 1 1 71 71 LYS HG2 H 1 1.679 0.003 . . . . . . . . . . 6573 1 835 . 1 1 71 71 LYS HG3 H 1 1.390 0.003 . . . . . . . . . . 6573 1 836 . 1 1 71 71 LYS HD2 H 1 1.662 0.003 . . . . . . . . . . 6573 1 837 . 1 1 71 71 LYS HD3 H 1 1.662 0.003 . . . . . . . . . . 6573 1 838 . 1 1 71 71 LYS HE2 H 1 2.788 0.006 . . . . . . . . . . 6573 1 839 . 1 1 71 71 LYS HE3 H 1 2.788 0.006 . . . . . . . . . . 6573 1 840 . 1 1 71 71 LYS CA C 13 60.448 0.019 . . . . . . . . . . 6573 1 841 . 1 1 71 71 LYS CB C 13 32.380 0.000 . . . . . . . . . . 6573 1 842 . 1 1 71 71 LYS CG C 13 26.047 0.042 . . . . . . . . . . 6573 1 843 . 1 1 71 71 LYS CD C 13 29.931 0.006 . . . . . . . . . . 6573 1 844 . 1 1 71 71 LYS CE C 13 42.006 0.014 . . . . . . . . . . 6573 1 845 . 1 1 71 71 LYS N N 15 119.567 0.006 . . . . . . . . . . 6573 1 846 . 1 1 72 72 ASP H H 1 7.801 0.004 . . . . . . . . . . 6573 1 847 . 1 1 72 72 ASP HA H 1 4.382 0.004 . . . . . . . . . . 6573 1 848 . 1 1 72 72 ASP HB2 H 1 2.763 0.004 . . . . . . . . . . 6573 1 849 . 1 1 72 72 ASP HB3 H 1 2.683 0.006 . . . . . . . . . . 6573 1 850 . 1 1 72 72 ASP CA C 13 57.460 0.000 . . . . . . . . . . 6573 1 851 . 1 1 72 72 ASP CB C 13 40.723 0.078 . . . . . . . . . . 6573 1 852 . 1 1 72 72 ASP N N 15 119.345 0.013 . . . . . . . . . . 6573 1 853 . 1 1 73 73 TYR H H 1 8.047 0.007 . . . . . . . . . . 6573 1 854 . 1 1 73 73 TYR HA H 1 4.285 0.003 . . . . . . . . . . 6573 1 855 . 1 1 73 73 TYR HB2 H 1 3.033 0.005 . . . . . . . . . . 6573 1 856 . 1 1 73 73 TYR HB3 H 1 3.033 0.005 . . . . . . . . . . 6573 1 857 . 1 1 73 73 TYR HD1 H 1 6.735 0.003 . . . . . . . . . . 6573 1 858 . 1 1 73 73 TYR HD2 H 1 6.735 0.003 . . . . . . . . . . 6573 1 859 . 1 1 73 73 TYR HE1 H 1 6.742 0.005 . . . . . . . . . . 6573 1 860 . 1 1 73 73 TYR HE2 H 1 6.742 0.005 . . . . . . . . . . 6573 1 861 . 1 1 73 73 TYR CA C 13 60.181 0.016 . . . . . . . . . . 6573 1 862 . 1 1 73 73 TYR CB C 13 37.657 0.042 . . . . . . . . . . 6573 1 863 . 1 1 73 73 TYR CD1 C 13 132.383 0.042 . . . . . . . . . . 6573 1 864 . 1 1 73 73 TYR CE1 C 13 118.211 0.063 . . . . . . . . . . 6573 1 865 . 1 1 73 73 TYR N N 15 121.342 0.015 . . . . . . . . . . 6573 1 866 . 1 1 74 74 LEU H H 1 8.423 0.004 . . . . . . . . . . 6573 1 867 . 1 1 74 74 LEU HA H 1 3.977 0.008 . . . . . . . . . . 6573 1 868 . 1 1 74 74 LEU HB2 H 1 1.902 0.004 . . . . . . . . . . 6573 1 869 . 1 1 74 74 LEU HB3 H 1 1.567 0.007 . . . . . . . . . . 6573 1 870 . 1 1 74 74 LEU HG H 1 1.924 0.008 . . . . . . . . . . 6573 1 871 . 1 1 74 74 LEU HD11 H 1 0.871 0.003 . . . . . . . . . . 6573 1 872 . 1 1 74 74 LEU HD12 H 1 0.871 0.003 . . . . . . . . . . 6573 1 873 . 1 1 74 74 LEU HD13 H 1 0.871 0.003 . . . . . . . . . . 6573 1 874 . 1 1 74 74 LEU HD21 H 1 1.054 0.003 . . . . . . . . . . 6573 1 875 . 1 1 74 74 LEU HD22 H 1 1.054 0.003 . . . . . . . . . . 6573 1 876 . 1 1 74 74 LEU HD23 H 1 1.054 0.003 . . . . . . . . . . 6573 1 877 . 1 1 74 74 LEU CA C 13 57.447 0.018 . . . . . . . . . . 6573 1 878 . 1 1 74 74 LEU CB C 13 41.649 0.051 . . . . . . . . . . 6573 1 879 . 1 1 74 74 LEU CG C 13 27.250 0.000 . . . . . . . . . . 6573 1 880 . 1 1 74 74 LEU CD1 C 13 26.046 0.004 . . . . . . . . . . 6573 1 881 . 1 1 74 74 LEU CD2 C 13 23.116 0.007 . . . . . . . . . . 6573 1 882 . 1 1 74 74 LEU N N 15 119.737 0.010 . . . . . . . . . . 6573 1 883 . 1 1 75 75 ARG H H 1 8.039 0.003 . . . . . . . . . . 6573 1 884 . 1 1 75 75 ARG HA H 1 4.173 0.002 . . . . . . . . . . 6573 1 885 . 1 1 75 75 ARG HB2 H 1 1.941 0.004 . . . . . . . . . . 6573 1 886 . 1 1 75 75 ARG HB3 H 1 1.941 0.004 . . . . . . . . . . 6573 1 887 . 1 1 75 75 ARG HG2 H 1 1.779 0.008 . . . . . . . . . . 6573 1 888 . 1 1 75 75 ARG HG3 H 1 1.699 0.004 . . . . . . . . . . 6573 1 889 . 1 1 75 75 ARG HD2 H 1 3.215 0.002 . . . . . . . . . . 6573 1 890 . 1 1 75 75 ARG HD3 H 1 3.215 0.002 . . . . . . . . . . 6573 1 891 . 1 1 75 75 ARG HE H 1 7.252 0.003 . . . . . . . . . . 6573 1 892 . 1 1 75 75 ARG CA C 13 58.462 0.011 . . . . . . . . . . 6573 1 893 . 1 1 75 75 ARG CB C 13 30.328 0.000 . . . . . . . . . . 6573 1 894 . 1 1 75 75 ARG CG C 13 27.689 0.084 . . . . . . . . . . 6573 1 895 . 1 1 75 75 ARG CD C 13 43.507 0.016 . . . . . . . . . . 6573 1 896 . 1 1 75 75 ARG N N 15 119.730 0.017 . . . . . . . . . . 6573 1 897 . 1 1 75 75 ARG NE N 15 84.582 0.004 . . . . . . . . . . 6573 1 898 . 1 1 76 76 SER H H 1 7.856 0.006 . . . . . . . . . . 6573 1 899 . 1 1 76 76 SER HA H 1 4.307 0.001 . . . . . . . . . . 6573 1 900 . 1 1 76 76 SER HB2 H 1 3.953 0.003 . . . . . . . . . . 6573 1 901 . 1 1 76 76 SER HB3 H 1 3.953 0.003 . . . . . . . . . . 6573 1 902 . 1 1 76 76 SER CA C 13 60.133 0.015 . . . . . . . . . . 6573 1 903 . 1 1 76 76 SER CB C 13 63.392 0.003 . . . . . . . . . . 6573 1 904 . 1 1 76 76 SER N N 15 114.793 0.006 . . . . . . . . . . 6573 1 905 . 1 1 77 77 LYS H H 1 7.735 0.004 . . . . . . . . . . 6573 1 906 . 1 1 77 77 LYS HA H 1 4.171 0.001 . . . . . . . . . . 6573 1 907 . 1 1 77 77 LYS HB2 H 1 1.860 0.005 . . . . . . . . . . 6573 1 908 . 1 1 77 77 LYS HB3 H 1 1.753 0.004 . . . . . . . . . . 6573 1 909 . 1 1 77 77 LYS HG2 H 1 1.393 0.007 . . . . . . . . . . 6573 1 910 . 1 1 77 77 LYS HG3 H 1 1.393 0.007 . . . . . . . . . . 6573 1 911 . 1 1 77 77 LYS HD2 H 1 1.655 0.004 . . . . . . . . . . 6573 1 912 . 1 1 77 77 LYS HD3 H 1 1.655 0.004 . . . . . . . . . . 6573 1 913 . 1 1 77 77 LYS HE2 H 1 2.960 0.005 . . . . . . . . . . 6573 1 914 . 1 1 77 77 LYS HE3 H 1 2.960 0.005 . . . . . . . . . . 6573 1 915 . 1 1 77 77 LYS CA C 13 57.261 0.000 . . . . . . . . . . 6573 1 916 . 1 1 77 77 LYS CB C 13 32.770 0.000 . . . . . . . . . . 6573 1 917 . 1 1 77 77 LYS CG C 13 24.400 0.000 . . . . . . . . . . 6573 1 918 . 1 1 77 77 LYS CD C 13 29.112 0.013 . . . . . . . . . . 6573 1 919 . 1 1 77 77 LYS CE C 13 42.224 0.000 . . . . . . . . . . 6573 1 920 . 1 1 77 77 LYS N N 15 121.758 0.008 . . . . . . . . . . 6573 1 921 . 1 1 78 78 GLU H H 1 7.911 0.006 . . . . . . . . . . 6573 1 922 . 1 1 78 78 GLU HA H 1 4.176 0.004 . . . . . . . . . . 6573 1 923 . 1 1 78 78 GLU HB2 H 1 2.001 0.003 . . . . . . . . . . 6573 1 924 . 1 1 78 78 GLU HB3 H 1 2.001 0.003 . . . . . . . . . . 6573 1 925 . 1 1 78 78 GLU HG2 H 1 2.285 0.002 . . . . . . . . . . 6573 1 926 . 1 1 78 78 GLU HG3 H 1 2.232 0.004 . . . . . . . . . . 6573 1 927 . 1 1 78 78 GLU CA C 13 57.261 0.000 . . . . . . . . . . 6573 1 928 . 1 1 78 78 GLU CB C 13 29.976 0.000 . . . . . . . . . . 6573 1 929 . 1 1 78 78 GLU CG C 13 36.270 0.000 . . . . . . . . . . 6573 1 930 . 1 1 78 78 GLU N N 15 120.198 0.009 . . . . . . . . . . 6573 1 931 . 1 1 79 79 LYS H H 1 8.095 0.001 . . . . . . . . . . 6573 1 932 . 1 1 79 79 LYS HA H 1 4.209 0.004 . . . . . . . . . . 6573 1 933 . 1 1 79 79 LYS HB2 H 1 1.808 0.007 . . . . . . . . . . 6573 1 934 . 1 1 79 79 LYS HB3 H 1 1.716 0.006 . . . . . . . . . . 6573 1 935 . 1 1 79 79 LYS HG2 H 1 1.368 0.004 . . . . . . . . . . 6573 1 936 . 1 1 79 79 LYS HG3 H 1 1.368 0.004 . . . . . . . . . . 6573 1 937 . 1 1 79 79 LYS HD2 H 1 1.625 0.002 . . . . . . . . . . 6573 1 938 . 1 1 79 79 LYS HD3 H 1 1.625 0.002 . . . . . . . . . . 6573 1 939 . 1 1 79 79 LYS HE2 H 1 2.945 0.002 . . . . . . . . . . 6573 1 940 . 1 1 79 79 LYS HE3 H 1 2.945 0.002 . . . . . . . . . . 6573 1 941 . 1 1 79 79 LYS CA C 13 56.645 0.000 . . . . . . . . . . 6573 1 942 . 1 1 79 79 LYS CB C 13 32.800 0.000 . . . . . . . . . . 6573 1 943 . 1 1 79 79 LYS CG C 13 24.899 0.000 . . . . . . . . . . 6573 1 944 . 1 1 79 79 LYS CD C 13 29.144 0.000 . . . . . . . . . . 6573 1 945 . 1 1 79 79 LYS CE C 13 42.200 0.000 . . . . . . . . . . 6573 1 946 . 1 1 79 79 LYS N N 15 121.054 0.010 . . . . . . . . . . 6573 1 947 . 1 1 80 80 HIS H H 1 8.343 0.006 . . . . . . . . . . 6573 1 948 . 1 1 80 80 HIS HA H 1 4.694 0.002 . . . . . . . . . . 6573 1 949 . 1 1 80 80 HIS HB2 H 1 3.281 0.008 . . . . . . . . . . 6573 1 950 . 1 1 80 80 HIS HB3 H 1 3.143 0.005 . . . . . . . . . . 6573 1 951 . 1 1 80 80 HIS HD2 H 1 7.216 0.001 . . . . . . . . . . 6573 1 952 . 1 1 80 80 HIS HE1 H 1 8.308 0.001 . . . . . . . . . . 6573 1 953 . 1 1 80 80 HIS CB C 13 29.592 0.056 . . . . . . . . . . 6573 1 954 . 1 1 80 80 HIS CD2 C 13 120.163 0.016 . . . . . . . . . . 6573 1 955 . 1 1 80 80 HIS CE1 C 13 137.200 0.000 . . . . . . . . . . 6573 1 956 . 1 1 80 80 HIS N N 15 118.888 0.010 . . . . . . . . . . 6573 1 957 . 1 1 81 81 GLY H H 1 8.347 0.003 . . . . . . . . . . 6573 1 958 . 1 1 81 81 GLY HA2 H 1 3.924 0.008 . . . . . . . . . . 6573 1 959 . 1 1 81 81 GLY HA3 H 1 3.924 0.008 . . . . . . . . . . 6573 1 960 . 1 1 81 81 GLY CA C 13 45.340 0.000 . . . . . . . . . . 6573 1 961 . 1 1 81 81 GLY N N 15 109.734 0.007 . . . . . . . . . . 6573 1 962 . 1 1 82 82 LYS H H 1 8.193 0.002 . . . . . . . . . . 6573 1 963 . 1 1 82 82 LYS HA H 1 4.315 0.010 . . . . . . . . . . 6573 1 964 . 1 1 82 82 LYS HB2 H 1 1.790 0.003 . . . . . . . . . . 6573 1 965 . 1 1 82 82 LYS HB3 H 1 1.726 0.004 . . . . . . . . . . 6573 1 966 . 1 1 82 82 LYS HG2 H 1 1.408 0.000 . . . . . . . . . . 6573 1 967 . 1 1 82 82 LYS HG3 H 1 1.408 0.000 . . . . . . . . . . 6573 1 968 . 1 1 82 82 LYS HD2 H 1 1.663 0.000 . . . . . . . . . . 6573 1 969 . 1 1 82 82 LYS HD3 H 1 1.663 0.000 . . . . . . . . . . 6573 1 970 . 1 1 82 82 LYS HE2 H 1 2.974 0.001 . . . . . . . . . . 6573 1 971 . 1 1 82 82 LYS HE3 H 1 2.974 0.001 . . . . . . . . . . 6573 1 972 . 1 1 82 82 LYS CA C 13 56.117 0.001 . . . . . . . . . . 6573 1 973 . 1 1 82 82 LYS CB C 13 33.090 0.049 . . . . . . . . . . 6573 1 974 . 1 1 82 82 LYS CG C 13 24.764 0.000 . . . . . . . . . . 6573 1 975 . 1 1 82 82 LYS CD C 13 29.102 0.000 . . . . . . . . . . 6573 1 976 . 1 1 82 82 LYS CE C 13 42.180 0.000 . . . . . . . . . . 6573 1 977 . 1 1 82 82 LYS N N 15 121.117 0.016 . . . . . . . . . . 6573 1 978 . 1 1 83 83 LYS H H 1 8.368 0.010 . . . . . . . . . . 6573 1 979 . 1 1 83 83 LYS HA H 1 4.565 0.004 . . . . . . . . . . 6573 1 980 . 1 1 83 83 LYS HB2 H 1 1.454 0.000 . . . . . . . . . . 6573 1 981 . 1 1 83 83 LYS HB3 H 1 1.454 0.000 . . . . . . . . . . 6573 1 982 . 1 1 83 83 LYS CA C 13 54.324 0.029 . . . . . . . . . . 6573 1 983 . 1 1 83 83 LYS CB C 13 32.600 0.000 . . . . . . . . . . 6573 1 984 . 1 1 83 83 LYS N N 15 124.586 0.003 . . . . . . . . . . 6573 1 985 . 1 1 84 84 PRO HA H 1 4.438 0.001 . . . . . . . . . . 6573 1 986 . 1 1 84 84 PRO HB2 H 1 2.253 0.003 . . . . . . . . . . 6573 1 987 . 1 1 84 84 PRO HB3 H 1 1.854 0.002 . . . . . . . . . . 6573 1 988 . 1 1 84 84 PRO HG2 H 1 1.990 0.004 . . . . . . . . . . 6573 1 989 . 1 1 84 84 PRO HG3 H 1 1.990 0.004 . . . . . . . . . . 6573 1 990 . 1 1 84 84 PRO HD2 H 1 3.813 0.003 . . . . . . . . . . 6573 1 991 . 1 1 84 84 PRO HD3 H 1 3.617 0.003 . . . . . . . . . . 6573 1 992 . 1 1 84 84 PRO CA C 13 63.050 0.007 . . . . . . . . . . 6573 1 993 . 1 1 84 84 PRO CB C 13 32.096 0.020 . . . . . . . . . . 6573 1 994 . 1 1 84 84 PRO CG C 13 27.452 0.044 . . . . . . . . . . 6573 1 995 . 1 1 84 84 PRO CD C 13 50.744 0.035 . . . . . . . . . . 6573 1 996 . 1 1 85 85 VAL H H 1 8.212 0.006 . . . . . . . . . . 6573 1 997 . 1 1 85 85 VAL HA H 1 4.060 0.004 . . . . . . . . . . 6573 1 998 . 1 1 85 85 VAL HB H 1 2.021 0.004 . . . . . . . . . . 6573 1 999 . 1 1 85 85 VAL HG11 H 1 0.910 0.004 . . . . . . . . . . 6573 1 1000 . 1 1 85 85 VAL HG12 H 1 0.910 0.004 . . . . . . . . . . 6573 1 1001 . 1 1 85 85 VAL HG13 H 1 0.910 0.004 . . . . . . . . . . 6573 1 1002 . 1 1 85 85 VAL HG21 H 1 0.910 0.004 . . . . . . . . . . 6573 1 1003 . 1 1 85 85 VAL HG22 H 1 0.910 0.004 . . . . . . . . . . 6573 1 1004 . 1 1 85 85 VAL HG23 H 1 0.910 0.004 . . . . . . . . . . 6573 1 1005 . 1 1 85 85 VAL CA C 13 62.338 0.006 . . . . . . . . . . 6573 1 1006 . 1 1 85 85 VAL CB C 13 32.905 0.045 . . . . . . . . . . 6573 1 1007 . 1 1 85 85 VAL CG1 C 13 20.726 0.055 . . . . . . . . . . 6573 1 1008 . 1 1 85 85 VAL N N 15 120.772 0.008 . . . . . . . . . . 6573 1 1009 . 1 1 86 86 LYS H H 1 8.325 0.001 . . . . . . . . . . 6573 1 1010 . 1 1 86 86 LYS HA H 1 4.292 0.004 . . . . . . . . . . 6573 1 1011 . 1 1 86 86 LYS HB2 H 1 1.775 0.006 . . . . . . . . . . 6573 1 1012 . 1 1 86 86 LYS HB3 H 1 1.726 0.002 . . . . . . . . . . 6573 1 1013 . 1 1 86 86 LYS HG2 H 1 1.393 0.008 . . . . . . . . . . 6573 1 1014 . 1 1 86 86 LYS HG3 H 1 1.393 0.008 . . . . . . . . . . 6573 1 1015 . 1 1 86 86 LYS HD2 H 1 1.699 0.003 . . . . . . . . . . 6573 1 1016 . 1 1 86 86 LYS HD3 H 1 1.699 0.003 . . . . . . . . . . 6573 1 1017 . 1 1 86 86 LYS HE2 H 1 2.968 0.008 . . . . . . . . . . 6573 1 1018 . 1 1 86 86 LYS HE3 H 1 2.968 0.008 . . . . . . . . . . 6573 1 1019 . 1 1 86 86 LYS CA C 13 56.226 0.042 . . . . . . . . . . 6573 1 1020 . 1 1 86 86 LYS CB C 13 33.034 0.000 . . . . . . . . . . 6573 1 1021 . 1 1 86 86 LYS CG C 13 24.699 0.000 . . . . . . . . . . 6573 1 1022 . 1 1 86 86 LYS CD C 13 29.150 0.000 . . . . . . . . . . 6573 1 1023 . 1 1 86 86 LYS CE C 13 42.150 0.000 . . . . . . . . . . 6573 1 1024 . 1 1 86 86 LYS N N 15 124.883 0.003 . . . . . . . . . . 6573 1 1025 . 1 1 87 87 GLU H H 1 8.508 0.004 . . . . . . . . . . 6573 1 1026 . 1 1 87 87 GLU HA H 1 4.234 0.007 . . . . . . . . . . 6573 1 1027 . 1 1 87 87 GLU HB2 H 1 1.903 0.006 . . . . . . . . . . 6573 1 1028 . 1 1 87 87 GLU HB3 H 1 2.009 0.005 . . . . . . . . . . 6573 1 1029 . 1 1 87 87 GLU HG2 H 1 2.236 0.006 . . . . . . . . . . 6573 1 1030 . 1 1 87 87 GLU HG3 H 1 2.236 0.006 . . . . . . . . . . 6573 1 1031 . 1 1 87 87 GLU CA C 13 56.858 0.081 . . . . . . . . . . 6573 1 1032 . 1 1 87 87 GLU CB C 13 30.304 0.047 . . . . . . . . . . 6573 1 1033 . 1 1 87 87 GLU CG C 13 36.314 0.000 . . . . . . . . . . 6573 1 1034 . 1 1 87 87 GLU N N 15 122.624 0.065 . . . . . . . . . . 6573 1 1035 . 1 1 88 88 ASN H H 1 8.500 0.005 . . . . . . . . . . 6573 1 1036 . 1 1 88 88 ASN HA H 1 4.647 0.003 . . . . . . . . . . 6573 1 1037 . 1 1 88 88 ASN HB2 H 1 2.768 0.008 . . . . . . . . . . 6573 1 1038 . 1 1 88 88 ASN HB3 H 1 2.821 0.003 . . . . . . . . . . 6573 1 1039 . 1 1 88 88 ASN HD21 H 1 7.602 0.002 . . . . . . . . . . 6573 1 1040 . 1 1 88 88 ASN HD22 H 1 6.908 0.003 . . . . . . . . . . 6573 1 1041 . 1 1 88 88 ASN CA C 13 53.394 0.001 . . . . . . . . . . 6573 1 1042 . 1 1 88 88 ASN CB C 13 38.820 0.034 . . . . . . . . . . 6573 1 1043 . 1 1 88 88 ASN N N 15 119.497 0.012 . . . . . . . . . . 6573 1 1044 . 1 1 88 88 ASN ND2 N 15 112.994 0.002 . . . . . . . . . . 6573 1 1045 . 1 1 89 89 GLN H H 1 8.405 0.003 . . . . . . . . . . 6573 1 1046 . 1 1 89 89 GLN HA H 1 4.337 0.006 . . . . . . . . . . 6573 1 1047 . 1 1 89 89 GLN HB2 H 1 2.128 0.003 . . . . . . . . . . 6573 1 1048 . 1 1 89 89 GLN HB3 H 1 1.977 0.004 . . . . . . . . . . 6573 1 1049 . 1 1 89 89 GLN HG2 H 1 2.339 0.008 . . . . . . . . . . 6573 1 1050 . 1 1 89 89 GLN HG3 H 1 2.339 0.008 . . . . . . . . . . 6573 1 1051 . 1 1 89 89 GLN HE21 H 1 7.518 0.003 . . . . . . . . . . 6573 1 1052 . 1 1 89 89 GLN HE22 H 1 6.838 0.001 . . . . . . . . . . 6573 1 1053 . 1 1 89 89 GLN CA C 13 56.201 0.000 . . . . . . . . . . 6573 1 1054 . 1 1 89 89 GLN CB C 13 29.417 0.018 . . . . . . . . . . 6573 1 1055 . 1 1 89 89 GLN CG C 13 33.900 0.000 . . . . . . . . . . 6573 1 1056 . 1 1 89 89 GLN N N 15 120.919 0.012 . . . . . . . . . . 6573 1 1057 . 1 1 89 89 GLN NE2 N 15 112.527 0.002 . . . . . . . . . . 6573 1 1058 . 1 1 90 90 SER H H 1 8.356 0.001 . . . . . . . . . . 6573 1 1059 . 1 1 90 90 SER HA H 1 4.409 0.006 . . . . . . . . . . 6573 1 1060 . 1 1 90 90 SER HB2 H 1 3.864 0.006 . . . . . . . . . . 6573 1 1061 . 1 1 90 90 SER HB3 H 1 3.838 0.003 . . . . . . . . . . 6573 1 1062 . 1 1 90 90 SER CA C 13 58.859 0.000 . . . . . . . . . . 6573 1 1063 . 1 1 90 90 SER CB C 13 63.822 0.023 . . . . . . . . . . 6573 1 1064 . 1 1 90 90 SER N N 15 116.842 0.009 . . . . . . . . . . 6573 1 1065 . 1 1 91 91 GLU H H 1 8.400 0.004 . . . . . . . . . . 6573 1 1066 . 1 1 91 91 GLU HA H 1 4.285 0.004 . . . . . . . . . . 6573 1 1067 . 1 1 91 91 GLU HB2 H 1 1.946 0.003 . . . . . . . . . . 6573 1 1068 . 1 1 91 91 GLU HB3 H 1 2.067 0.003 . . . . . . . . . . 6573 1 1069 . 1 1 91 91 GLU HG2 H 1 2.249 0.004 . . . . . . . . . . 6573 1 1070 . 1 1 91 91 GLU HG3 H 1 2.249 0.004 . . . . . . . . . . 6573 1 1071 . 1 1 91 91 GLU CA C 13 56.875 0.001 . . . . . . . . . . 6573 1 1072 . 1 1 91 91 GLU CB C 13 30.191 0.032 . . . . . . . . . . 6573 1 1073 . 1 1 91 91 GLU CG C 13 36.237 0.000 . . . . . . . . . . 6573 1 1074 . 1 1 91 91 GLU N N 15 122.625 0.017 . . . . . . . . . . 6573 1 1075 . 1 1 92 92 GLY H H 1 8.412 0.002 . . . . . . . . . . 6573 1 1076 . 1 1 92 92 GLY HA2 H 1 3.936 0.006 . . . . . . . . . . 6573 1 1077 . 1 1 92 92 GLY HA3 H 1 3.936 0.006 . . . . . . . . . . 6573 1 1078 . 1 1 92 92 GLY CA C 13 45.425 0.011 . . . . . . . . . . 6573 1 1079 . 1 1 92 92 GLY N N 15 109.956 0.009 . . . . . . . . . . 6573 1 1080 . 1 1 93 93 LYS H H 1 8.185 0.002 . . . . . . . . . . 6573 1 1081 . 1 1 93 93 LYS HA H 1 4.341 0.009 . . . . . . . . . . 6573 1 1082 . 1 1 93 93 LYS HB2 H 1 1.856 0.007 . . . . . . . . . . 6573 1 1083 . 1 1 93 93 LYS HB3 H 1 1.752 0.000 . . . . . . . . . . 6573 1 1084 . 1 1 93 93 LYS HG2 H 1 1.415 0.001 . . . . . . . . . . 6573 1 1085 . 1 1 93 93 LYS HG3 H 1 1.415 0.001 . . . . . . . . . . 6573 1 1086 . 1 1 93 93 LYS HD2 H 1 1.680 0.000 . . . . . . . . . . 6573 1 1087 . 1 1 93 93 LYS HD3 H 1 1.680 0.000 . . . . . . . . . . 6573 1 1088 . 1 1 93 93 LYS HE2 H 1 2.990 0.001 . . . . . . . . . . 6573 1 1089 . 1 1 93 93 LYS HE3 H 1 2.990 0.001 . . . . . . . . . . 6573 1 1090 . 1 1 93 93 LYS CA C 13 56.188 0.019 . . . . . . . . . . 6573 1 1091 . 1 1 93 93 LYS CB C 13 33.150 0.000 . . . . . . . . . . 6573 1 1092 . 1 1 93 93 LYS CG C 13 24.809 0.000 . . . . . . . . . . 6573 1 1093 . 1 1 93 93 LYS CD C 13 29.000 0.000 . . . . . . . . . . 6573 1 1094 . 1 1 93 93 LYS CE C 13 42.200 0.000 . . . . . . . . . . 6573 1 1095 . 1 1 93 93 LYS N N 15 120.949 0.066 . . . . . . . . . . 6573 1 1096 . 1 1 94 94 GLY H H 1 8.511 0.007 . . . . . . . . . . 6573 1 1097 . 1 1 94 94 GLY HA2 H 1 3.980 0.002 . . . . . . . . . . 6573 1 1098 . 1 1 94 94 GLY HA3 H 1 3.980 0.002 . . . . . . . . . . 6573 1 1099 . 1 1 94 94 GLY CA C 13 45.291 0.003 . . . . . . . . . . 6573 1 1100 . 1 1 94 94 GLY N N 15 110.407 0.031 . . . . . . . . . . 6573 1 1101 . 1 1 95 95 SER H H 1 8.291 0.002 . . . . . . . . . . 6573 1 1102 . 1 1 95 95 SER HA H 1 4.325 0.001 . . . . . . . . . . 6573 1 1103 . 1 1 95 95 SER HB2 H 1 3.869 0.008 . . . . . . . . . . 6573 1 1104 . 1 1 95 95 SER HB3 H 1 3.825 0.003 . . . . . . . . . . 6573 1 1105 . 1 1 95 95 SER CA C 13 58.343 0.000 . . . . . . . . . . 6573 1 1106 . 1 1 95 95 SER CB C 13 64.150 0.000 . . . . . . . . . . 6573 1 1107 . 1 1 95 95 SER N N 15 115.809 0.021 . . . . . . . . . . 6573 1 1108 . 1 1 96 96 ASP H H 1 8.479 0.008 . . . . . . . . . . 6573 1 1109 . 1 1 96 96 ASP HA H 1 4.635 0.004 . . . . . . . . . . 6573 1 1110 . 1 1 96 96 ASP HB2 H 1 2.708 0.004 . . . . . . . . . . 6573 1 1111 . 1 1 96 96 ASP HB3 H 1 2.659 0.004 . . . . . . . . . . 6573 1 1112 . 1 1 96 96 ASP CA C 13 54.615 0.000 . . . . . . . . . . 6573 1 1113 . 1 1 96 96 ASP CB C 13 41.111 0.013 . . . . . . . . . . 6573 1 1114 . 1 1 96 96 ASP N N 15 122.423 0.019 . . . . . . . . . . 6573 1 1115 . 1 1 97 97 SER H H 1 8.208 0.003 . . . . . . . . . . 6573 1 1116 . 1 1 97 97 SER HA H 1 4.408 0.004 . . . . . . . . . . 6573 1 1117 . 1 1 97 97 SER HB2 H 1 3.883 0.003 . . . . . . . . . . 6573 1 1118 . 1 1 97 97 SER HB3 H 1 3.843 0.012 . . . . . . . . . . 6573 1 1119 . 1 1 97 97 SER CA C 13 58.859 0.000 . . . . . . . . . . 6573 1 1120 . 1 1 97 97 SER CB C 13 63.959 0.014 . . . . . . . . . . 6573 1 1121 . 1 1 97 97 SER N N 15 115.590 0.034 . . . . . . . . . . 6573 1 1122 . 1 1 98 98 ASP H H 1 8.330 0.003 . . . . . . . . . . 6573 1 1123 . 1 1 98 98 ASP HA H 1 4.635 0.003 . . . . . . . . . . 6573 1 1124 . 1 1 98 98 ASP HB2 H 1 2.696 0.007 . . . . . . . . . . 6573 1 1125 . 1 1 98 98 ASP HB3 H 1 2.656 0.001 . . . . . . . . . . 6573 1 1126 . 1 1 98 98 ASP CA C 13 54.693 0.033 . . . . . . . . . . 6573 1 1127 . 1 1 98 98 ASP CB C 13 41.233 0.063 . . . . . . . . . . 6573 1 1128 . 1 1 98 98 ASP N N 15 122.449 0.008 . . . . . . . . . . 6573 1 1129 . 1 1 99 99 SER H H 1 8.216 0.008 . . . . . . . . . . 6573 1 1130 . 1 1 99 99 SER HA H 1 4.419 0.005 . . . . . . . . . . 6573 1 1131 . 1 1 99 99 SER HB2 H 1 3.873 0.010 . . . . . . . . . . 6573 1 1132 . 1 1 99 99 SER HB3 H 1 3.835 0.005 . . . . . . . . . . 6573 1 1133 . 1 1 99 99 SER CA C 13 58.699 0.021 . . . . . . . . . . 6573 1 1134 . 1 1 99 99 SER CB C 13 63.910 0.054 . . . . . . . . . . 6573 1 1135 . 1 1 99 99 SER N N 15 115.931 0.043 . . . . . . . . . . 6573 1 1136 . 1 1 100 100 GLU H H 1 8.384 0.006 . . . . . . . . . . 6573 1 1137 . 1 1 100 100 GLU HA H 1 4.280 0.003 . . . . . . . . . . 6573 1 1138 . 1 1 100 100 GLU HB2 H 1 1.962 0.007 . . . . . . . . . . 6573 1 1139 . 1 1 100 100 GLU HB3 H 1 2.073 0.004 . . . . . . . . . . 6573 1 1140 . 1 1 100 100 GLU HG2 H 1 2.264 0.003 . . . . . . . . . . 6573 1 1141 . 1 1 100 100 GLU HG3 H 1 2.264 0.003 . . . . . . . . . . 6573 1 1142 . 1 1 100 100 GLU CA C 13 57.116 0.000 . . . . . . . . . . 6573 1 1143 . 1 1 100 100 GLU CB C 13 30.179 0.047 . . . . . . . . . . 6573 1 1144 . 1 1 100 100 GLU CG C 13 36.270 0.000 . . . . . . . . . . 6573 1 1145 . 1 1 100 100 GLU N N 15 122.547 0.007 . . . . . . . . . . 6573 1 1146 . 1 1 101 101 GLY H H 1 8.271 0.002 . . . . . . . . . . 6573 1 1147 . 1 1 101 101 GLY HA2 H 1 3.912 0.003 . . . . . . . . . . 6573 1 1148 . 1 1 101 101 GLY HA3 H 1 3.912 0.003 . . . . . . . . . . 6573 1 1149 . 1 1 101 101 GLY CA C 13 45.468 0.048 . . . . . . . . . . 6573 1 1150 . 1 1 101 101 GLY N N 15 109.091 0.021 . . . . . . . . . . 6573 1 1151 . 1 1 102 102 ASP H H 1 8.187 0.006 . . . . . . . . . . 6573 1 1152 . 1 1 102 102 ASP HA H 1 4.583 0.005 . . . . . . . . . . 6573 1 1153 . 1 1 102 102 ASP HB2 H 1 2.620 0.003 . . . . . . . . . . 6573 1 1154 . 1 1 102 102 ASP HB3 H 1 2.576 0.006 . . . . . . . . . . 6573 1 1155 . 1 1 102 102 ASP CA C 13 54.208 0.011 . . . . . . . . . . 6573 1 1156 . 1 1 102 102 ASP CB C 13 41.290 0.025 . . . . . . . . . . 6573 1 1157 . 1 1 102 102 ASP N N 15 120.163 0.037 . . . . . . . . . . 6573 1 1158 . 1 1 103 103 ASN H H 1 8.265 0.008 . . . . . . . . . . 6573 1 1159 . 1 1 103 103 ASN HA H 1 4.920 0.002 . . . . . . . . . . 6573 1 1160 . 1 1 103 103 ASN HB2 H 1 2.780 0.003 . . . . . . . . . . 6573 1 1161 . 1 1 103 103 ASN HB3 H 1 2.857 0.006 . . . . . . . . . . 6573 1 1162 . 1 1 103 103 ASN HD21 H 1 7.742 0.001 . . . . . . . . . . 6573 1 1163 . 1 1 103 103 ASN HD22 H 1 7.028 0.003 . . . . . . . . . . 6573 1 1164 . 1 1 103 103 ASN CA C 13 51.657 0.010 . . . . . . . . . . 6573 1 1165 . 1 1 103 103 ASN CB C 13 39.010 0.019 . . . . . . . . . . 6573 1 1166 . 1 1 103 103 ASN N N 15 119.537 0.017 . . . . . . . . . . 6573 1 1167 . 1 1 103 103 ASN ND2 N 15 113.350 0.006 . . . . . . . . . . 6573 1 1168 . 1 1 104 104 PRO HA H 1 4.315 0.005 . . . . . . . . . . 6573 1 1169 . 1 1 104 104 PRO HB2 H 1 2.304 0.006 . . . . . . . . . . 6573 1 1170 . 1 1 104 104 PRO HB3 H 1 1.956 0.004 . . . . . . . . . . 6573 1 1171 . 1 1 104 104 PRO HG2 H 1 2.014 0.003 . . . . . . . . . . 6573 1 1172 . 1 1 104 104 PRO HG3 H 1 2.014 0.003 . . . . . . . . . . 6573 1 1173 . 1 1 104 104 PRO HD2 H 1 3.787 0.003 . . . . . . . . . . 6573 1 1174 . 1 1 104 104 PRO HD3 H 1 3.787 0.003 . . . . . . . . . . 6573 1 1175 . 1 1 104 104 PRO CA C 13 64.561 0.011 . . . . . . . . . . 6573 1 1176 . 1 1 104 104 PRO CB C 13 32.114 0.013 . . . . . . . . . . 6573 1 1177 . 1 1 104 104 PRO CG C 13 27.412 0.032 . . . . . . . . . . 6573 1 1178 . 1 1 104 104 PRO CD C 13 50.872 0.058 . . . . . . . . . . 6573 1 1179 . 1 1 105 105 GLU H H 1 8.339 0.007 . . . . . . . . . . 6573 1 1180 . 1 1 105 105 GLU HA H 1 4.140 0.004 . . . . . . . . . . 6573 1 1181 . 1 1 105 105 GLU HB2 H 1 2.025 0.002 . . . . . . . . . . 6573 1 1182 . 1 1 105 105 GLU HB3 H 1 2.025 0.002 . . . . . . . . . . 6573 1 1183 . 1 1 105 105 GLU HG2 H 1 2.265 0.007 . . . . . . . . . . 6573 1 1184 . 1 1 105 105 GLU HG3 H 1 2.265 0.007 . . . . . . . . . . 6573 1 1185 . 1 1 105 105 GLU CA C 13 57.996 0.000 . . . . . . . . . . 6573 1 1186 . 1 1 105 105 GLU CB C 13 29.420 0.000 . . . . . . . . . . 6573 1 1187 . 1 1 105 105 GLU CG C 13 36.390 0.000 . . . . . . . . . . 6573 1 1188 . 1 1 105 105 GLU N N 15 118.894 0.009 . . . . . . . . . . 6573 1 1189 . 1 1 106 106 LYS H H 1 7.892 0.000 . . . . . . . . . . 6573 1 1190 . 1 1 106 106 LYS HA H 1 4.119 0.006 . . . . . . . . . . 6573 1 1191 . 1 1 106 106 LYS HB2 H 1 1.832 0.009 . . . . . . . . . . 6573 1 1192 . 1 1 106 106 LYS HB3 H 1 1.832 0.009 . . . . . . . . . . 6573 1 1193 . 1 1 106 106 LYS HG2 H 1 1.415 0.001 . . . . . . . . . . 6573 1 1194 . 1 1 106 106 LYS HG3 H 1 1.415 0.001 . . . . . . . . . . 6573 1 1195 . 1 1 106 106 LYS HD2 H 1 1.665 0.006 . . . . . . . . . . 6573 1 1196 . 1 1 106 106 LYS HD3 H 1 1.665 0.006 . . . . . . . . . . 6573 1 1197 . 1 1 106 106 LYS HE2 H 1 2.967 0.002 . . . . . . . . . . 6573 1 1198 . 1 1 106 106 LYS HE3 H 1 2.967 0.002 . . . . . . . . . . 6573 1 1199 . 1 1 106 106 LYS CA C 13 57.690 0.088 . . . . . . . . . . 6573 1 1200 . 1 1 106 106 LYS CB C 13 32.820 0.000 . . . . . . . . . . 6573 1 1201 . 1 1 106 106 LYS CG C 13 25.310 0.000 . . . . . . . . . . 6573 1 1202 . 1 1 106 106 LYS CD C 13 29.200 0.000 . . . . . . . . . . 6573 1 1203 . 1 1 106 106 LYS CE C 13 42.100 0.000 . . . . . . . . . . 6573 1 1204 . 1 1 106 106 LYS N N 15 120.859 0.001 . . . . . . . . . . 6573 1 1205 . 1 1 107 107 LYS H H 1 7.971 0.001 . . . . . . . . . . 6573 1 1206 . 1 1 107 107 LYS HA H 1 4.150 0.012 . . . . . . . . . . 6573 1 1207 . 1 1 107 107 LYS HB2 H 1 1.782 0.000 . . . . . . . . . . 6573 1 1208 . 1 1 107 107 LYS HB3 H 1 1.782 0.000 . . . . . . . . . . 6573 1 1209 . 1 1 107 107 LYS HG2 H 1 1.411 0.000 . . . . . . . . . . 6573 1 1210 . 1 1 107 107 LYS HG3 H 1 1.411 0.000 . . . . . . . . . . 6573 1 1211 . 1 1 107 107 LYS HD2 H 1 1.654 0.002 . . . . . . . . . . 6573 1 1212 . 1 1 107 107 LYS HD3 H 1 1.654 0.002 . . . . . . . . . . 6573 1 1213 . 1 1 107 107 LYS HE2 H 1 2.958 0.006 . . . . . . . . . . 6573 1 1214 . 1 1 107 107 LYS HE3 H 1 2.958 0.006 . . . . . . . . . . 6573 1 1215 . 1 1 107 107 LYS CA C 13 57.602 0.000 . . . . . . . . . . 6573 1 1216 . 1 1 107 107 LYS CB C 13 32.820 0.000 . . . . . . . . . . 6573 1 1217 . 1 1 107 107 LYS CG C 13 24.958 0.000 . . . . . . . . . . 6573 1 1218 . 1 1 107 107 LYS CD C 13 29.200 0.000 . . . . . . . . . . 6573 1 1219 . 1 1 107 107 LYS CE C 13 42.100 0.000 . . . . . . . . . . 6573 1 1220 . 1 1 107 107 LYS N N 15 120.714 0.052 . . . . . . . . . . 6573 1 1221 . 1 1 108 108 LYS H H 1 7.982 0.004 . . . . . . . . . . 6573 1 1222 . 1 1 108 108 LYS HA H 1 4.177 0.013 . . . . . . . . . . 6573 1 1223 . 1 1 108 108 LYS HB2 H 1 1.794 0.007 . . . . . . . . . . 6573 1 1224 . 1 1 108 108 LYS HB3 H 1 1.794 0.007 . . . . . . . . . . 6573 1 1225 . 1 1 108 108 LYS HG2 H 1 1.446 0.003 . . . . . . . . . . 6573 1 1226 . 1 1 108 108 LYS HG3 H 1 1.432 0.010 . . . . . . . . . . 6573 1 1227 . 1 1 108 108 LYS HD2 H 1 1.672 0.004 . . . . . . . . . . 6573 1 1228 . 1 1 108 108 LYS HD3 H 1 1.672 0.004 . . . . . . . . . . 6573 1 1229 . 1 1 108 108 LYS HE2 H 1 2.943 0.002 . . . . . . . . . . 6573 1 1230 . 1 1 108 108 LYS HE3 H 1 2.943 0.002 . . . . . . . . . . 6573 1 1231 . 1 1 108 108 LYS CA C 13 57.426 0.000 . . . . . . . . . . 6573 1 1232 . 1 1 108 108 LYS CB C 13 32.650 0.000 . . . . . . . . . . 6573 1 1233 . 1 1 108 108 LYS CG C 13 24.958 0.000 . . . . . . . . . . 6573 1 1234 . 1 1 108 108 LYS CD C 13 29.200 0.000 . . . . . . . . . . 6573 1 1235 . 1 1 108 108 LYS CE C 13 42.100 0.000 . . . . . . . . . . 6573 1 1236 . 1 1 108 108 LYS N N 15 120.799 0.029 . . . . . . . . . . 6573 1 1237 . 1 1 109 109 LEU H H 1 8.001 0.006 . . . . . . . . . . 6573 1 1238 . 1 1 109 109 LEU HA H 1 4.215 0.008 . . . . . . . . . . 6573 1 1239 . 1 1 109 109 LEU HB2 H 1 1.691 0.003 . . . . . . . . . . 6573 1 1240 . 1 1 109 109 LEU HB3 H 1 1.593 0.005 . . . . . . . . . . 6573 1 1241 . 1 1 109 109 LEU HG H 1 1.636 0.010 . . . . . . . . . . 6573 1 1242 . 1 1 109 109 LEU HD11 H 1 0.895 0.001 . . . . . . . . . . 6573 1 1243 . 1 1 109 109 LEU HD12 H 1 0.895 0.001 . . . . . . . . . . 6573 1 1244 . 1 1 109 109 LEU HD13 H 1 0.895 0.001 . . . . . . . . . . 6573 1 1245 . 1 1 109 109 LEU HD21 H 1 0.859 0.009 . . . . . . . . . . 6573 1 1246 . 1 1 109 109 LEU HD22 H 1 0.859 0.009 . . . . . . . . . . 6573 1 1247 . 1 1 109 109 LEU HD23 H 1 0.859 0.009 . . . . . . . . . . 6573 1 1248 . 1 1 109 109 LEU CA C 13 56.469 0.079 . . . . . . . . . . 6573 1 1249 . 1 1 109 109 LEU CB C 13 42.091 0.032 . . . . . . . . . . 6573 1 1250 . 1 1 109 109 LEU CG C 13 27.150 0.000 . . . . . . . . . . 6573 1 1251 . 1 1 109 109 LEU CD1 C 13 24.955 0.000 . . . . . . . . . . 6573 1 1252 . 1 1 109 109 LEU CD2 C 13 23.783 0.021 . . . . . . . . . . 6573 1 1253 . 1 1 109 109 LEU N N 15 121.809 0.064 . . . . . . . . . . 6573 1 1254 . 1 1 110 110 GLN H H 1 8.202 0.002 . . . . . . . . . . 6573 1 1255 . 1 1 110 110 GLN HA H 1 4.138 0.008 . . . . . . . . . . 6573 1 1256 . 1 1 110 110 GLN HB2 H 1 2.082 0.004 . . . . . . . . . . 6573 1 1257 . 1 1 110 110 GLN HB3 H 1 2.082 0.004 . . . . . . . . . . 6573 1 1258 . 1 1 110 110 GLN HG2 H 1 2.390 0.011 . . . . . . . . . . 6573 1 1259 . 1 1 110 110 GLN HG3 H 1 2.390 0.011 . . . . . . . . . . 6573 1 1260 . 1 1 110 110 GLN HE21 H 1 7.482 0.001 . . . . . . . . . . 6573 1 1261 . 1 1 110 110 GLN HE22 H 1 6.850 0.001 . . . . . . . . . . 6573 1 1262 . 1 1 110 110 GLN CA C 13 57.420 0.000 . . . . . . . . . . 6573 1 1263 . 1 1 110 110 GLN CB C 13 29.084 0.029 . . . . . . . . . . 6573 1 1264 . 1 1 110 110 GLN CG C 13 33.986 0.000 . . . . . . . . . . 6573 1 1265 . 1 1 110 110 GLN N N 15 119.604 0.004 . . . . . . . . . . 6573 1 1266 . 1 1 110 110 GLN NE2 N 15 111.911 0.009 . . . . . . . . . . 6573 1 1267 . 1 1 111 111 GLU H H 1 8.229 0.007 . . . . . . . . . . 6573 1 1268 . 1 1 111 111 GLU HA H 1 4.125 0.003 . . . . . . . . . . 6573 1 1269 . 1 1 111 111 GLU HB2 H 1 2.019 0.003 . . . . . . . . . . 6573 1 1270 . 1 1 111 111 GLU HB3 H 1 2.019 0.003 . . . . . . . . . . 6573 1 1271 . 1 1 111 111 GLU HG2 H 1 2.224 0.007 . . . . . . . . . . 6573 1 1272 . 1 1 111 111 GLU HG3 H 1 2.316 0.003 . . . . . . . . . . 6573 1 1273 . 1 1 111 111 GLU CA C 13 57.793 0.005 . . . . . . . . . . 6573 1 1274 . 1 1 111 111 GLU CB C 13 30.091 0.013 . . . . . . . . . . 6573 1 1275 . 1 1 111 111 GLU CG C 13 36.424 0.055 . . . . . . . . . . 6573 1 1276 . 1 1 111 111 GLU N N 15 120.575 0.034 . . . . . . . . . . 6573 1 1277 . 1 1 112 112 GLN H H 1 8.176 0.001 . . . . . . . . . . 6573 1 1278 . 1 1 112 112 GLN HA H 1 4.222 0.008 . . . . . . . . . . 6573 1 1279 . 1 1 112 112 GLN HB2 H 1 2.077 0.007 . . . . . . . . . . 6573 1 1280 . 1 1 112 112 GLN HB3 H 1 2.077 0.007 . . . . . . . . . . 6573 1 1281 . 1 1 112 112 GLN HG2 H 1 2.360 0.010 . . . . . . . . . . 6573 1 1282 . 1 1 112 112 GLN HG3 H 1 2.360 0.010 . . . . . . . . . . 6573 1 1283 . 1 1 112 112 GLN HE21 H 1 7.458 0.001 . . . . . . . . . . 6573 1 1284 . 1 1 112 112 GLN HE22 H 1 6.815 0.002 . . . . . . . . . . 6573 1 1285 . 1 1 112 112 GLN CA C 13 56.891 0.000 . . . . . . . . . . 6573 1 1286 . 1 1 112 112 GLN CB C 13 29.191 0.000 . . . . . . . . . . 6573 1 1287 . 1 1 112 112 GLN CG C 13 33.986 0.000 . . . . . . . . . . 6573 1 1288 . 1 1 112 112 GLN N N 15 119.981 0.012 . . . . . . . . . . 6573 1 1289 . 1 1 112 112 GLN NE2 N 15 111.824 0.007 . . . . . . . . . . 6573 1 1290 . 1 1 113 113 LEU H H 1 8.112 0.001 . . . . . . . . . . 6573 1 1291 . 1 1 113 113 LEU HA H 1 4.262 0.011 . . . . . . . . . . 6573 1 1292 . 1 1 113 113 LEU HB2 H 1 1.680 0.005 . . . . . . . . . . 6573 1 1293 . 1 1 113 113 LEU HB3 H 1 1.566 0.005 . . . . . . . . . . 6573 1 1294 . 1 1 113 113 LEU HG H 1 1.645 0.001 . . . . . . . . . . 6573 1 1295 . 1 1 113 113 LEU HD11 H 1 0.872 0.002 . . . . . . . . . . 6573 1 1296 . 1 1 113 113 LEU HD12 H 1 0.872 0.002 . . . . . . . . . . 6573 1 1297 . 1 1 113 113 LEU HD13 H 1 0.872 0.002 . . . . . . . . . . 6573 1 1298 . 1 1 113 113 LEU HD21 H 1 0.817 0.002 . . . . . . . . . . 6573 1 1299 . 1 1 113 113 LEU HD22 H 1 0.817 0.002 . . . . . . . . . . 6573 1 1300 . 1 1 113 113 LEU HD23 H 1 0.817 0.002 . . . . . . . . . . 6573 1 1301 . 1 1 113 113 LEU CA C 13 55.850 0.027 . . . . . . . . . . 6573 1 1302 . 1 1 113 113 LEU CB C 13 42.252 0.067 . . . . . . . . . . 6573 1 1303 . 1 1 113 113 LEU CG C 13 26.953 0.000 . . . . . . . . . . 6573 1 1304 . 1 1 113 113 LEU CD1 C 13 25.128 0.000 . . . . . . . . . . 6573 1 1305 . 1 1 113 113 LEU CD2 C 13 23.403 0.007 . . . . . . . . . . 6573 1 1306 . 1 1 113 113 LEU N N 15 121.664 0.004 . . . . . . . . . . 6573 1 1307 . 1 1 114 114 MET H H 1 8.145 0.003 . . . . . . . . . . 6573 1 1308 . 1 1 114 114 MET HA H 1 4.427 0.004 . . . . . . . . . . 6573 1 1309 . 1 1 114 114 MET HB2 H 1 2.099 0.003 . . . . . . . . . . 6573 1 1310 . 1 1 114 114 MET HB3 H 1 2.048 0.007 . . . . . . . . . . 6573 1 1311 . 1 1 114 114 MET HG2 H 1 2.539 0.007 . . . . . . . . . . 6573 1 1312 . 1 1 114 114 MET HG3 H 1 2.614 0.004 . . . . . . . . . . 6573 1 1313 . 1 1 114 114 MET CA C 13 55.880 0.007 . . . . . . . . . . 6573 1 1314 . 1 1 114 114 MET CB C 13 32.692 0.030 . . . . . . . . . . 6573 1 1315 . 1 1 114 114 MET CG C 13 32.166 0.078 . . . . . . . . . . 6573 1 1316 . 1 1 114 114 MET N N 15 119.307 0.006 . . . . . . . . . . 6573 1 1317 . 1 1 115 115 GLY H H 1 8.171 0.005 . . . . . . . . . . 6573 1 1318 . 1 1 115 115 GLY HA2 H 1 3.916 0.006 . . . . . . . . . . 6573 1 1319 . 1 1 115 115 GLY HA3 H 1 3.916 0.006 . . . . . . . . . . 6573 1 1320 . 1 1 115 115 GLY CA C 13 45.420 0.000 . . . . . . . . . . 6573 1 1321 . 1 1 115 115 GLY N N 15 109.190 0.022 . . . . . . . . . . 6573 1 1322 . 1 1 116 116 ALA H H 1 7.986 0.002 . . . . . . . . . . 6573 1 1323 . 1 1 116 116 ALA HA H 1 4.310 0.002 . . . . . . . . . . 6573 1 1324 . 1 1 116 116 ALA HB1 H 1 1.344 0.001 . . . . . . . . . . 6573 1 1325 . 1 1 116 116 ALA HB2 H 1 1.344 0.001 . . . . . . . . . . 6573 1 1326 . 1 1 116 116 ALA HB3 H 1 1.344 0.001 . . . . . . . . . . 6573 1 1327 . 1 1 116 116 ALA CA C 13 52.451 0.000 . . . . . . . . . . 6573 1 1328 . 1 1 116 116 ALA CB C 13 19.398 0.011 . . . . . . . . . . 6573 1 1329 . 1 1 116 116 ALA N N 15 123.440 0.001 . . . . . . . . . . 6573 1 1330 . 1 1 117 117 VAL H H 1 8.022 0.005 . . . . . . . . . . 6573 1 1331 . 1 1 117 117 VAL HA H 1 4.056 0.003 . . . . . . . . . . 6573 1 1332 . 1 1 117 117 VAL HB H 1 2.002 0.006 . . . . . . . . . . 6573 1 1333 . 1 1 117 117 VAL HG11 H 1 0.894 0.004 . . . . . . . . . . 6573 1 1334 . 1 1 117 117 VAL HG12 H 1 0.894 0.004 . . . . . . . . . . 6573 1 1335 . 1 1 117 117 VAL HG13 H 1 0.894 0.004 . . . . . . . . . . 6573 1 1336 . 1 1 117 117 VAL HG21 H 1 0.894 0.004 . . . . . . . . . . 6573 1 1337 . 1 1 117 117 VAL HG22 H 1 0.894 0.004 . . . . . . . . . . 6573 1 1338 . 1 1 117 117 VAL HG23 H 1 0.894 0.004 . . . . . . . . . . 6573 1 1339 . 1 1 117 117 VAL CA C 13 62.456 0.010 . . . . . . . . . . 6573 1 1340 . 1 1 117 117 VAL CB C 13 32.808 0.036 . . . . . . . . . . 6573 1 1341 . 1 1 117 117 VAL CG1 C 13 21.217 0.000 . . . . . . . . . . 6573 1 1342 . 1 1 117 117 VAL N N 15 119.559 0.003 . . . . . . . . . . 6573 1 1343 . 1 1 118 118 VAL H H 1 8.198 0.005 . . . . . . . . . . 6573 1 1344 . 1 1 118 118 VAL HA H 1 4.058 0.004 . . . . . . . . . . 6573 1 1345 . 1 1 118 118 VAL HB H 1 2.003 0.002 . . . . . . . . . . 6573 1 1346 . 1 1 118 118 VAL HG11 H 1 0.885 0.009 . . . . . . . . . . 6573 1 1347 . 1 1 118 118 VAL HG12 H 1 0.885 0.009 . . . . . . . . . . 6573 1 1348 . 1 1 118 118 VAL HG13 H 1 0.885 0.009 . . . . . . . . . . 6573 1 1349 . 1 1 118 118 VAL HG21 H 1 0.885 0.009 . . . . . . . . . . 6573 1 1350 . 1 1 118 118 VAL HG22 H 1 0.885 0.009 . . . . . . . . . . 6573 1 1351 . 1 1 118 118 VAL HG23 H 1 0.885 0.009 . . . . . . . . . . 6573 1 1352 . 1 1 118 118 VAL CA C 13 62.348 0.013 . . . . . . . . . . 6573 1 1353 . 1 1 118 118 VAL CB C 13 32.844 0.000 . . . . . . . . . . 6573 1 1354 . 1 1 118 118 VAL CG1 C 13 21.209 0.007 . . . . . . . . . . 6573 1 1355 . 1 1 118 118 VAL N N 15 124.747 0.007 . . . . . . . . . . 6573 1 1356 . 1 1 119 119 MET H H 1 8.399 0.006 . . . . . . . . . . 6573 1 1357 . 1 1 119 119 MET HA H 1 4.468 0.006 . . . . . . . . . . 6573 1 1358 . 1 1 119 119 MET HB2 H 1 2.031 0.003 . . . . . . . . . . 6573 1 1359 . 1 1 119 119 MET HB3 H 1 1.954 0.004 . . . . . . . . . . 6573 1 1360 . 1 1 119 119 MET HG2 H 1 2.498 0.002 . . . . . . . . . . 6573 1 1361 . 1 1 119 119 MET HG3 H 1 2.558 0.002 . . . . . . . . . . 6573 1 1362 . 1 1 119 119 MET CA C 13 55.179 0.021 . . . . . . . . . . 6573 1 1363 . 1 1 119 119 MET CB C 13 33.206 0.000 . . . . . . . . . . 6573 1 1364 . 1 1 119 119 MET CG C 13 32.090 0.000 . . . . . . . . . . 6573 1 1365 . 1 1 119 119 MET N N 15 124.928 0.006 . . . . . . . . . . 6573 1 1366 . 1 1 120 120 GLU H H 1 8.365 0.000 . . . . . . . . . . 6573 1 1367 . 1 1 120 120 GLU HA H 1 4.234 0.008 . . . . . . . . . . 6573 1 1368 . 1 1 120 120 GLU HB2 H 1 1.896 0.002 . . . . . . . . . . 6573 1 1369 . 1 1 120 120 GLU HB3 H 1 1.969 0.005 . . . . . . . . . . 6573 1 1370 . 1 1 120 120 GLU HG2 H 1 2.224 0.004 . . . . . . . . . . 6573 1 1371 . 1 1 120 120 GLU HG3 H 1 2.224 0.004 . . . . . . . . . . 6573 1 1372 . 1 1 120 120 GLU CA C 13 56.621 0.087 . . . . . . . . . . 6573 1 1373 . 1 1 120 120 GLU CB C 13 30.455 0.007 . . . . . . . . . . 6573 1 1374 . 1 1 120 120 GLU CG C 13 36.138 0.000 . . . . . . . . . . 6573 1 1375 . 1 1 120 120 GLU N N 15 122.984 0.013 . . . . . . . . . . 6573 1 1376 . 1 1 121 121 LYS H H 1 8.311 0.007 . . . . . . . . . . 6573 1 1377 . 1 1 121 121 LYS HA H 1 4.561 0.004 . . . . . . . . . . 6573 1 1378 . 1 1 121 121 LYS HB2 H 1 1.819 0.006 . . . . . . . . . . 6573 1 1379 . 1 1 121 121 LYS HB3 H 1 1.712 0.001 . . . . . . . . . . 6573 1 1380 . 1 1 121 121 LYS HG2 H 1 1.442 0.003 . . . . . . . . . . 6573 1 1381 . 1 1 121 121 LYS HG3 H 1 1.442 0.003 . . . . . . . . . . 6573 1 1382 . 1 1 121 121 LYS HD2 H 1 1.664 0.000 . . . . . . . . . . 6573 1 1383 . 1 1 121 121 LYS HD3 H 1 1.664 0.000 . . . . . . . . . . 6573 1 1384 . 1 1 121 121 LYS HE2 H 1 2.989 0.001 . . . . . . . . . . 6573 1 1385 . 1 1 121 121 LYS HE3 H 1 2.989 0.001 . . . . . . . . . . 6573 1 1386 . 1 1 121 121 LYS CA C 13 54.293 0.000 . . . . . . . . . . 6573 1 1387 . 1 1 121 121 LYS CB C 13 32.600 0.000 . . . . . . . . . . 6573 1 1388 . 1 1 121 121 LYS CG C 13 24.664 0.000 . . . . . . . . . . 6573 1 1389 . 1 1 121 121 LYS CD C 13 29.260 0.000 . . . . . . . . . . 6573 1 1390 . 1 1 121 121 LYS CE C 13 42.260 0.000 . . . . . . . . . . 6573 1 1391 . 1 1 121 121 LYS N N 15 124.127 0.006 . . . . . . . . . . 6573 1 1392 . 1 1 122 122 PRO HA H 1 4.212 0.005 . . . . . . . . . . 6573 1 1393 . 1 1 122 122 PRO HB2 H 1 2.177 0.005 . . . . . . . . . . 6573 1 1394 . 1 1 122 122 PRO HB3 H 1 1.854 0.003 . . . . . . . . . . 6573 1 1395 . 1 1 122 122 PRO HG2 H 1 1.918 0.005 . . . . . . . . . . 6573 1 1396 . 1 1 122 122 PRO HG3 H 1 1.918 0.005 . . . . . . . . . . 6573 1 1397 . 1 1 122 122 PRO HD2 H 1 3.700 0.003 . . . . . . . . . . 6573 1 1398 . 1 1 122 122 PRO HD3 H 1 3.599 0.007 . . . . . . . . . . 6573 1 1399 . 1 1 122 122 PRO CA C 13 64.743 0.012 . . . . . . . . . . 6573 1 1400 . 1 1 122 122 PRO CB C 13 32.089 0.009 . . . . . . . . . . 6573 1 1401 . 1 1 122 122 PRO CG C 13 27.434 0.000 . . . . . . . . . . 6573 1 1402 . 1 1 122 122 PRO CD C 13 50.358 0.027 . . . . . . . . . . 6573 1 stop_ save_