data_7312 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7312 _Entry.Title ; 1H,13C and 15N resonance assignment of the VHS domain of human STAM1 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-10-02 _Entry.Accession_date 2006-10-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Bong-jin Lee . . . 7312 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7312 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 453 7312 '15N chemical shifts' 130 7312 '1H chemical shifts' 489 7312 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 2 . . 2010-07-19 2006-10-02 update BMRB 'added related entry loop' 7312 1 . . 2009-10-20 2006-10-02 original author 'original release' 7312 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17065 'Tandem ubiquitin binding domains of STAM1' 7312 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7312 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19111546 _Citation.Full_citation . _Citation.Title 'Identification of a novel ubiquitin binding site of STAM1 VHS domain by NMR spectroscopy' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 583 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 287 _Citation.Page_last 292 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yoon-Hun Hong . . . 7312 1 2 Hee-Chul Ahn . . . 7312 1 3 Jongsoo Lim . . . 7312 1 4 Hong-Man Kim . . . 7312 1 5 Hye-Young Ji . . . 7312 1 6 Seunga Lee . . . 7312 1 7 Ji-Hun Kim . . . 7312 1 8 Eun-Young Park . . . 7312 1 9 Hyun-Kyu Song . . . 7312 1 10 Bong-Jin Lee . . . 7312 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7312 _Assembly.ID 1 _Assembly.Name 'VHS domain monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state unknown _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'VHS domain monomer' 1 $VHS_domain . . yes native no no . . . 7312 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VHS_domain _Entity.Sf_category entity _Entity.Sf_framecode VHS_domain _Entity.Entry_ID 7312 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'signal transducing adaptor molecule 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PLFATNPFDQDVEKATSEMN TAEDWGLILDICDKVGQSRT GPKDCLRSIMRRVNHKDPHV AMQALTLLGACVSNCGKIFH LEVCSRDFASEVSNVLNKGH PKVCEKLKALMVEWTDEFKN DPQLSLISAMIKNLKEQG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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 BMRB 16763 . VHS . . . . . 100.00 138 100.00 100.00 3.65e-97 . . . . 7312 1 2 no BMRB 17059 . STAM1 . . . . . 100.00 178 100.00 100.00 8.43e-98 . . . . 7312 1 3 no BMRB 17065 . Tandem_ubiquitin_binding_domains_of_STAM1 . . . . . 100.00 191 100.00 100.00 5.76e-98 . . . . 7312 1 4 no PDB 3LDZ . "Crystal Structure Of Human Stam1 Vhs Domain In Complex With Ubiquitin" . . . . . 98.55 140 100.00 100.00 2.06e-95 . . . . 7312 1 5 no DBJ BAE26170 . "unnamed protein product [Mus musculus]" . . . . . 100.00 553 99.28 100.00 2.41e-92 . . . . 7312 1 6 no DBJ BAE28168 . "unnamed protein product [Mus musculus]" . . . . . 100.00 462 99.28 100.00 1.04e-95 . . . . 7312 1 7 no DBJ BAE34187 . "unnamed protein product [Mus musculus]" . . . . . 100.00 548 99.28 100.00 2.49e-92 . . . . 7312 1 8 no DBJ BAE37536 . "unnamed protein product [Mus musculus]" . . . . . 100.00 548 99.28 100.00 2.49e-92 . . . . 7312 1 9 no DBJ BAE40949 . "unnamed protein product [Mus musculus]" . . . . . 100.00 548 99.28 100.00 2.49e-92 . . . . 7312 1 10 no GB AAC50734 . "STAM [Homo sapiens]" . . . . . 100.00 540 100.00 100.00 1.23e-92 . . . . 7312 1 11 no GB AAC52840 . "STAM [Mus musculus]" . . . . . 100.00 548 99.28 100.00 2.49e-92 . . . . 7312 1 12 no GB AAH30586 . "STAM protein [Homo sapiens]" . . . . . 100.00 403 100.00 100.00 5.32e-96 . . . . 7312 1 13 no GB AAH44666 . "Signal transducing adaptor molecule (SH3 domain and ITAM motif) 1 [Mus musculus]" . . . . . 100.00 548 99.28 100.00 2.49e-92 . . . . 7312 1 14 no GB AAH55326 . "Signal transducing adaptor molecule (SH3 domain and ITAM motif) 1 [Mus musculus]" . . . . . 100.00 548 99.28 100.00 2.49e-92 . . . . 7312 1 15 no REF NP_001070310 . "signal transducing adapter molecule 1 [Bos taurus]" . . . . . 100.00 534 100.00 100.00 7.94e-93 . . . . 7312 1 16 no REF NP_001102591 . "signal transducing adapter molecule 1 [Rattus norvegicus]" . . . . . 100.00 547 99.28 100.00 1.82e-92 . . . . 7312 1 17 no REF NP_003464 . "signal transducing adapter molecule 1 [Homo sapiens]" . . . . . 100.00 540 100.00 100.00 1.23e-92 . . . . 7312 1 18 no REF NP_035614 . "signal transducing adapter molecule 1 [Mus musculus]" . . . . . 100.00 548 99.28 100.00 2.49e-92 . . . . 7312 1 19 no REF XP_001094352 . "PREDICTED: signal transducing adapter molecule 1 [Macaca mulatta]" . . . . . 64.49 490 100.00 100.00 1.01e-53 . . . . 7312 1 20 no SP P70297 . "RecName: Full=Signal transducing adapter molecule 1; Short=STAM-1 [Mus musculus]" . . . . . 100.00 548 99.28 100.00 2.49e-92 . . . . 7312 1 21 no SP Q92783 . "RecName: Full=Signal transducing adapter molecule 1; Short=STAM-1 [Homo sapiens]" . . . . . 100.00 540 100.00 100.00 1.23e-92 . . . . 7312 1 22 no TPG DAA23567 . "TPA: signal transducing adaptor molecule 1 [Bos taurus]" . . . . . 100.00 534 100.00 100.00 7.94e-93 . . . . 7312 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 . PRO . 7312 1 2 . LEU . 7312 1 3 . PHE . 7312 1 4 . ALA . 7312 1 5 . THR . 7312 1 6 . ASN . 7312 1 7 . PRO . 7312 1 8 . PHE . 7312 1 9 . ASP . 7312 1 10 . GLN . 7312 1 11 . ASP . 7312 1 12 . VAL . 7312 1 13 . GLU . 7312 1 14 . LYS . 7312 1 15 . ALA . 7312 1 16 . THR . 7312 1 17 . SER . 7312 1 18 . GLU . 7312 1 19 . MET . 7312 1 20 . ASN . 7312 1 21 . THR . 7312 1 22 . ALA . 7312 1 23 . GLU . 7312 1 24 . ASP . 7312 1 25 . TRP . 7312 1 26 . GLY . 7312 1 27 . LEU . 7312 1 28 . ILE . 7312 1 29 . LEU . 7312 1 30 . ASP . 7312 1 31 . ILE . 7312 1 32 . CYS . 7312 1 33 . ASP . 7312 1 34 . LYS . 7312 1 35 . VAL . 7312 1 36 . GLY . 7312 1 37 . GLN . 7312 1 38 . SER . 7312 1 39 . ARG . 7312 1 40 . THR . 7312 1 41 . GLY . 7312 1 42 . PRO . 7312 1 43 . LYS . 7312 1 44 . ASP . 7312 1 45 . CYS . 7312 1 46 . LEU . 7312 1 47 . ARG . 7312 1 48 . SER . 7312 1 49 . ILE . 7312 1 50 . MET . 7312 1 51 . ARG . 7312 1 52 . ARG . 7312 1 53 . VAL . 7312 1 54 . ASN . 7312 1 55 . HIS . 7312 1 56 . LYS . 7312 1 57 . ASP . 7312 1 58 . PRO . 7312 1 59 . HIS . 7312 1 60 . VAL . 7312 1 61 . ALA . 7312 1 62 . MET . 7312 1 63 . GLN . 7312 1 64 . ALA . 7312 1 65 . LEU . 7312 1 66 . THR . 7312 1 67 . LEU . 7312 1 68 . LEU . 7312 1 69 . GLY . 7312 1 70 . ALA . 7312 1 71 . CYS . 7312 1 72 . VAL . 7312 1 73 . SER . 7312 1 74 . ASN . 7312 1 75 . CYS . 7312 1 76 . GLY . 7312 1 77 . LYS . 7312 1 78 . ILE . 7312 1 79 . PHE . 7312 1 80 . HIS . 7312 1 81 . LEU . 7312 1 82 . GLU . 7312 1 83 . VAL . 7312 1 84 . CYS . 7312 1 85 . SER . 7312 1 86 . ARG . 7312 1 87 . ASP . 7312 1 88 . PHE . 7312 1 89 . ALA . 7312 1 90 . SER . 7312 1 91 . GLU . 7312 1 92 . VAL . 7312 1 93 . SER . 7312 1 94 . ASN . 7312 1 95 . VAL . 7312 1 96 . LEU . 7312 1 97 . ASN . 7312 1 98 . LYS . 7312 1 99 . GLY . 7312 1 100 . HIS . 7312 1 101 . PRO . 7312 1 102 . LYS . 7312 1 103 . VAL . 7312 1 104 . CYS . 7312 1 105 . GLU . 7312 1 106 . LYS . 7312 1 107 . LEU . 7312 1 108 . LYS . 7312 1 109 . ALA . 7312 1 110 . LEU . 7312 1 111 . MET . 7312 1 112 . VAL . 7312 1 113 . GLU . 7312 1 114 . TRP . 7312 1 115 . THR . 7312 1 116 . ASP . 7312 1 117 . GLU . 7312 1 118 . PHE . 7312 1 119 . LYS . 7312 1 120 . ASN . 7312 1 121 . ASP . 7312 1 122 . PRO . 7312 1 123 . GLN . 7312 1 124 . LEU . 7312 1 125 . SER . 7312 1 126 . LEU . 7312 1 127 . ILE . 7312 1 128 . SER . 7312 1 129 . ALA . 7312 1 130 . MET . 7312 1 131 . ILE . 7312 1 132 . LYS . 7312 1 133 . ASN . 7312 1 134 . LEU . 7312 1 135 . LYS . 7312 1 136 . GLU . 7312 1 137 . GLN . 7312 1 138 . GLY . 7312 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 . PRO 1 1 7312 1 . LEU 2 2 7312 1 . PHE 3 3 7312 1 . ALA 4 4 7312 1 . THR 5 5 7312 1 . ASN 6 6 7312 1 . PRO 7 7 7312 1 . PHE 8 8 7312 1 . ASP 9 9 7312 1 . GLN 10 10 7312 1 . ASP 11 11 7312 1 . VAL 12 12 7312 1 . GLU 13 13 7312 1 . LYS 14 14 7312 1 . ALA 15 15 7312 1 . THR 16 16 7312 1 . SER 17 17 7312 1 . GLU 18 18 7312 1 . MET 19 19 7312 1 . ASN 20 20 7312 1 . THR 21 21 7312 1 . ALA 22 22 7312 1 . GLU 23 23 7312 1 . ASP 24 24 7312 1 . TRP 25 25 7312 1 . GLY 26 26 7312 1 . LEU 27 27 7312 1 . ILE 28 28 7312 1 . LEU 29 29 7312 1 . ASP 30 30 7312 1 . ILE 31 31 7312 1 . CYS 32 32 7312 1 . ASP 33 33 7312 1 . LYS 34 34 7312 1 . VAL 35 35 7312 1 . GLY 36 36 7312 1 . GLN 37 37 7312 1 . SER 38 38 7312 1 . ARG 39 39 7312 1 . THR 40 40 7312 1 . GLY 41 41 7312 1 . PRO 42 42 7312 1 . LYS 43 43 7312 1 . ASP 44 44 7312 1 . CYS 45 45 7312 1 . LEU 46 46 7312 1 . ARG 47 47 7312 1 . SER 48 48 7312 1 . ILE 49 49 7312 1 . MET 50 50 7312 1 . ARG 51 51 7312 1 . ARG 52 52 7312 1 . VAL 53 53 7312 1 . ASN 54 54 7312 1 . HIS 55 55 7312 1 . LYS 56 56 7312 1 . ASP 57 57 7312 1 . PRO 58 58 7312 1 . HIS 59 59 7312 1 . VAL 60 60 7312 1 . ALA 61 61 7312 1 . MET 62 62 7312 1 . GLN 63 63 7312 1 . ALA 64 64 7312 1 . LEU 65 65 7312 1 . THR 66 66 7312 1 . LEU 67 67 7312 1 . LEU 68 68 7312 1 . GLY 69 69 7312 1 . ALA 70 70 7312 1 . CYS 71 71 7312 1 . VAL 72 72 7312 1 . SER 73 73 7312 1 . ASN 74 74 7312 1 . CYS 75 75 7312 1 . GLY 76 76 7312 1 . LYS 77 77 7312 1 . ILE 78 78 7312 1 . PHE 79 79 7312 1 . HIS 80 80 7312 1 . LEU 81 81 7312 1 . GLU 82 82 7312 1 . VAL 83 83 7312 1 . CYS 84 84 7312 1 . SER 85 85 7312 1 . ARG 86 86 7312 1 . ASP 87 87 7312 1 . PHE 88 88 7312 1 . ALA 89 89 7312 1 . SER 90 90 7312 1 . GLU 91 91 7312 1 . VAL 92 92 7312 1 . SER 93 93 7312 1 . ASN 94 94 7312 1 . VAL 95 95 7312 1 . LEU 96 96 7312 1 . ASN 97 97 7312 1 . LYS 98 98 7312 1 . GLY 99 99 7312 1 . HIS 100 100 7312 1 . PRO 101 101 7312 1 . LYS 102 102 7312 1 . VAL 103 103 7312 1 . CYS 104 104 7312 1 . GLU 105 105 7312 1 . LYS 106 106 7312 1 . LEU 107 107 7312 1 . LYS 108 108 7312 1 . ALA 109 109 7312 1 . LEU 110 110 7312 1 . MET 111 111 7312 1 . VAL 112 112 7312 1 . GLU 113 113 7312 1 . TRP 114 114 7312 1 . THR 115 115 7312 1 . ASP 116 116 7312 1 . GLU 117 117 7312 1 . PHE 118 118 7312 1 . LYS 119 119 7312 1 . ASN 120 120 7312 1 . ASP 121 121 7312 1 . PRO 122 122 7312 1 . GLN 123 123 7312 1 . LEU 124 124 7312 1 . SER 125 125 7312 1 . LEU 126 126 7312 1 . ILE 127 127 7312 1 . SER 128 128 7312 1 . ALA 129 129 7312 1 . MET 130 130 7312 1 . ILE 131 131 7312 1 . LYS 132 132 7312 1 . ASN 133 133 7312 1 . LEU 134 134 7312 1 . LYS 135 135 7312 1 . GLU 136 136 7312 1 . GLN 137 137 7312 1 . GLY 138 138 7312 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 7312 _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 $VHS_domain . 9606 . no 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7312 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 7312 _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 $VHS_domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7312 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7312 _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 'signal transducing adaptor molecule 1' '[U-99% 13C; U-98% 15N; U-70% 2H]' . . 1 $VHS_domain . . . 0.3 0.6 mM . . . . 7312 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7312 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 7312 1 temperature 298 0.2 K 7312 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500_MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500_MHz_spectrometer _NMR_spectrometer.Entry_ID 7312 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600_MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_MHz_spectrometer _NMR_spectrometer.Entry_ID 7312 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_900_MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900_MHz_spectrometer _NMR_spectrometer.Entry_ID 7312 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7312 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D [15N, 1H]-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 2 '2D [15N, 1H]-TROSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 3 '3D TROSY-HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 4 '3D TROSY-HN(CO)CA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 5 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 6 TROSY-HN(CO)CACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 7 '3D TROSY-HN(CA)CO' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 8 '3D TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 10 '3D 15N-edited NOESY-TROSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 11 '3D 15N-edited TOCSY-TROSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 12 '3D 13C-edited NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 13 '3D 13C-edited TOCSY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 14 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7312 1 stop_ save_ save_2D_(15N_1H)-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_(15N_1H)-HSQC _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D [15N, 1H]-HSQC' _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_2D_(15N_1H)-TROSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_(15N_1H)-TROSY _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D [15N, 1H]-TROSY' _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_3D_TROSY-HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_TROSY-HNCA _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D TROSY-HNCA' _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_3D_TROSY-HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_TROSY-HN(CO)CA _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D TROSY-HN(CO)CA' _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_3D_TROSY-HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_TROSY-HNCACB _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D TROSY-HNCACB' _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_TROSY-HN(CO)CACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TROSY-HN(CO)CACB _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name TROSY-HN(CO)CACB _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_3D_TROSY-HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_TROSY-HN(CA)CO _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D TROSY-HN(CA)CO' _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_3D_TROSY-HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_TROSY-HNCO _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D TROSY-HNCO' _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_3D_HBHA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HBHA(CO)NH _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HBHA(CO)NH' _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_3D_15N-edited_NOESY-TROSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-edited_NOESY-TROSY _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 15N-edited NOESY-TROSY' _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_3D_15N-edited_TOCSY-TROSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-edited_TOCSY-TROSY _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 15N-edited TOCSY-TROSY' _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_3D_13C-edited_NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-edited_NOESY-HSQC _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 13C-edited NOESY-HSQC' _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_3D_13C-edited_TOCSY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-edited_TOCSY-HSQC _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D 13C-edited TOCSY-HSQC' _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_3D_HCCH-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH-COSY _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D HCCH-COSY' _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_3D_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH-TOCSY _NMR_spec_expt.Entry_ID 7312 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D HCCH-TOCSY' _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7312 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.044 . indirect 0.25144953 . . . . . . . . . 7312 1 H 1 DSS 'methyl protons' . . . . ppm 0.036 internal direct 1.0 . . . . . . . . . 7312 1 N 15 DSS 'methyl protons' . . . . ppm 2.7 . indirect 0.101329118 . . . . . . . . . 7312 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7312 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 isotropic 7312 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 PRO HA H 1 4.303 0 . 1 . . . . 1 PRO HA . 7312 1 2 . 1 1 1 1 PRO HB2 H 1 2.115 0 . 1 . . . . 1 PRO HB2 . 7312 1 3 . 1 1 1 1 PRO HB3 H 1 1.692 0 . 1 . . . . 1 PRO HB3 . 7312 1 4 . 1 1 1 1 PRO C C 13 181.43 0 . 1 . . . . 1 PRO C . 7312 1 5 . 1 1 1 1 PRO CA C 13 63.159 0 . 1 . . . . 1 PRO CA . 7312 1 6 . 1 1 1 1 PRO CB C 13 31.708 0 . 1 . . . . 1 PRO CB . 7312 1 7 . 1 1 2 2 LEU H H 1 8.001 0 . 1 . . . . 2 LEU H . 7312 1 8 . 1 1 2 2 LEU HA H 1 4.113 0 . 1 . . . . 2 LEU HA . 7312 1 9 . 1 1 2 2 LEU HB2 H 1 1.305 0 . 1 . . . . 2 LEU HB2 . 7312 1 10 . 1 1 2 2 LEU C C 13 176.813 0 . 1 . . . . 2 LEU C . 7312 1 11 . 1 1 2 2 LEU CA C 13 55.147 0 . 1 . . . . 2 LEU CA . 7312 1 12 . 1 1 2 2 LEU CB C 13 41.445 0 . 1 . . . . 2 LEU CB . 7312 1 13 . 1 1 2 2 LEU N N 15 121.906 0 . 1 . . . . 2 LEU N . 7312 1 14 . 1 1 3 3 PHE H H 1 7.823 0 . 1 . . . . 3 PHE H . 7312 1 15 . 1 1 3 3 PHE HA H 1 4.525 0 . 1 . . . . 3 PHE HA . 7312 1 16 . 1 1 3 3 PHE HB2 H 1 2.983 0 . 1 . . . . 3 PHE HB2 . 7312 1 17 . 1 1 3 3 PHE C C 13 175.042 0 . 1 . . . . 3 PHE C . 7312 1 18 . 1 1 3 3 PHE CA C 13 56.964 0 . 1 . . . . 3 PHE CA . 7312 1 19 . 1 1 3 3 PHE CB C 13 39.47 0 . 1 . . . . 3 PHE CB . 7312 1 20 . 1 1 3 3 PHE N N 15 120.174 0 . 1 . . . . 3 PHE N . 7312 1 21 . 1 1 4 4 ALA H H 1 8.015 0 . 1 . . . . 4 ALA H . 7312 1 22 . 1 1 4 4 ALA HA H 1 4.3 0 . 1 . . . . 4 ALA HA . 7312 1 23 . 1 1 4 4 ALA HB1 H 1 1.284 0 . 2 . . . . 4 ALA HB . 7312 1 24 . 1 1 4 4 ALA HB2 H 1 1.284 0 . 2 . . . . 4 ALA HB . 7312 1 25 . 1 1 4 4 ALA HB3 H 1 1.284 0 . 2 . . . . 4 ALA HB . 7312 1 26 . 1 1 4 4 ALA C C 13 177.362 0 . 1 . . . . 4 ALA C . 7312 1 27 . 1 1 4 4 ALA CA C 13 51.984 0 . 1 . . . . 4 ALA CA . 7312 1 28 . 1 1 4 4 ALA CB C 13 19.32 0 . 1 . . . . 4 ALA CB . 7312 1 29 . 1 1 4 4 ALA N N 15 125.898 0 . 1 . . . . 4 ALA N . 7312 1 30 . 1 1 5 5 THR H H 1 8.057 0 . 1 . . . . 5 THR H . 7312 1 31 . 1 1 5 5 THR HA H 1 4.075 0 . 1 . . . . 5 THR HA . 7312 1 32 . 1 1 5 5 THR C C 13 173.846 0 . 1 . . . . 5 THR C . 7312 1 33 . 1 1 5 5 THR CA C 13 61.93 0 . 1 . . . . 5 THR CA . 7312 1 34 . 1 1 5 5 THR CB C 13 69.533 0 . 1 . . . . 5 THR CB . 7312 1 35 . 1 1 5 5 THR N N 15 115.664 0 . 1 . . . . 5 THR N . 7312 1 36 . 1 1 6 6 ASN H H 1 8.586 0 . 1 . . . . 6 ASN H . 7312 1 37 . 1 1 6 6 ASN HA H 1 4.949 0 . 1 . . . . 6 ASN HA . 7312 1 38 . 1 1 6 6 ASN HB2 H 1 3.072 0 . 1 . . . . 6 ASN HB2 . 7312 1 39 . 1 1 6 6 ASN HB3 H 1 2.673 0 . 1 . . . . 6 ASN HB3 . 7312 1 40 . 1 1 6 6 ASN C C 13 175.379 0 . 1 . . . . 6 ASN C . 7312 1 41 . 1 1 6 6 ASN CA C 13 50.466 0 . 1 . . . . 6 ASN CA . 7312 1 42 . 1 1 6 6 ASN CB C 13 38.975 0 . 1 . . . . 6 ASN CB . 7312 1 43 . 1 1 6 6 ASN N N 15 125.622 0 . 1 . . . . 6 ASN N . 7312 1 44 . 1 1 7 7 PRO HA H 1 4.291 0 . 1 . . . . 7 PRO HA . 7312 1 45 . 1 1 7 7 PRO HB2 H 1 2.195 0 . 1 . . . . 7 PRO HB2 . 7312 1 46 . 1 1 7 7 PRO HB3 H 1 1.7 0 . 1 . . . . 7 PRO HB3 . 7312 1 47 . 1 1 7 7 PRO C C 13 177.242 0 . 1 . . . . 7 PRO C . 7312 1 48 . 1 1 7 7 PRO CA C 13 64.028 0 . 1 . . . . 7 PRO CA . 7312 1 49 . 1 1 7 7 PRO CB C 13 31.994 0 . 1 . . . . 7 PRO CB . 7312 1 50 . 1 1 8 8 PHE H H 1 8.918 0 . 1 . . . . 8 PHE H . 7312 1 51 . 1 1 8 8 PHE HA H 1 4.203 0 . 1 . . . . 8 PHE HA . 7312 1 52 . 1 1 8 8 PHE HB2 H 1 3.06 0 . 1 . . . . 8 PHE HB2 . 7312 1 53 . 1 1 8 8 PHE C C 13 175.707 0 . 1 . . . . 8 PHE C . 7312 1 54 . 1 1 8 8 PHE CA C 13 60.382 0 . 1 . . . . 8 PHE CA . 7312 1 55 . 1 1 8 8 PHE CB C 13 39.191 0 . 1 . . . . 8 PHE CB . 7312 1 56 . 1 1 8 8 PHE N N 15 117.763 0 . 1 . . . . 8 PHE N . 7312 1 57 . 1 1 9 9 ASP H H 1 7.31 0 . 1 . . . . 9 ASP H . 7312 1 58 . 1 1 9 9 ASP HA H 1 4.042 0 . 1 . . . . 9 ASP HA . 7312 1 59 . 1 1 9 9 ASP HB2 H 1 2.656 0 . 1 . . . . 9 ASP HB2 . 7312 1 60 . 1 1 9 9 ASP C C 13 178.301 0 . 1 . . . . 9 ASP C . 7312 1 61 . 1 1 9 9 ASP CA C 13 58.622 0 . 1 . . . . 9 ASP CA . 7312 1 62 . 1 1 9 9 ASP CB C 13 39.398 0 . 1 . . . . 9 ASP CB . 7312 1 63 . 1 1 9 9 ASP N N 15 119.929 0 . 1 . . . . 9 ASP N . 7312 1 64 . 1 1 10 10 GLN H H 1 8.344 0 . 1 . . . . 10 GLN H . 7312 1 65 . 1 1 10 10 GLN HA H 1 3.971 0 . 1 . . . . 10 GLN HA . 7312 1 66 . 1 1 10 10 GLN HB2 H 1 2.044 0 . 1 . . . . 10 GLN HB2 . 7312 1 67 . 1 1 10 10 GLN C C 13 178.754 0 . 1 . . . . 10 GLN C . 7312 1 68 . 1 1 10 10 GLN CA C 13 59.727 0 . 1 . . . . 10 GLN CA . 7312 1 69 . 1 1 10 10 GLN CB C 13 27.689 0 . 1 . . . . 10 GLN CB . 7312 1 70 . 1 1 10 10 GLN N N 15 119.572 0 . 1 . . . . 10 GLN N . 7312 1 71 . 1 1 11 11 ASP H H 1 8.436 0 . 1 . . . . 11 ASP H . 7312 1 72 . 1 1 11 11 ASP HA H 1 4.421 0 . 1 . . . . 11 ASP HA . 7312 1 73 . 1 1 11 11 ASP HB2 H 1 2.386 0 . 1 . . . . 11 ASP HB2 . 7312 1 74 . 1 1 11 11 ASP C C 13 178.456 0 . 1 . . . . 11 ASP C . 7312 1 75 . 1 1 11 11 ASP CA C 13 57.239 0 . 1 . . . . 11 ASP CA . 7312 1 76 . 1 1 11 11 ASP CB C 13 40.136 0 . 1 . . . . 11 ASP CB . 7312 1 77 . 1 1 11 11 ASP N N 15 121.865 0 . 1 . . . . 11 ASP N . 7312 1 78 . 1 1 12 12 VAL H H 1 8.654 0 . 1 . . . . 12 VAL H . 7312 1 79 . 1 1 12 12 VAL HA H 1 3.31 0 . 1 . . . . 12 VAL HA . 7312 1 80 . 1 1 12 12 VAL HB H 1 2.168 0 . 1 . . . . 12 VAL HB . 7312 1 81 . 1 1 12 12 VAL C C 13 179.658 0 . 1 . . . . 12 VAL C . 7312 1 82 . 1 1 12 12 VAL CA C 13 66.782 0 . 1 . . . . 12 VAL CA . 7312 1 83 . 1 1 12 12 VAL CB C 13 31.302 0 . 1 . . . . 12 VAL CB . 7312 1 84 . 1 1 12 12 VAL N N 15 120.969 0 . 1 . . . . 12 VAL N . 7312 1 85 . 1 1 13 13 GLU H H 1 8.598 0 . 1 . . . . 13 GLU H . 7312 1 86 . 1 1 13 13 GLU HA H 1 3.335 0 . 1 . . . . 13 GLU HA . 7312 1 87 . 1 1 13 13 GLU HB2 H 1 2.014 0 . 1 . . . . 13 GLU HB2 . 7312 1 88 . 1 1 13 13 GLU C C 13 178.072 0 . 1 . . . . 13 GLU C . 7312 1 89 . 1 1 13 13 GLU CA C 13 60.582 0 . 1 . . . . 13 GLU CA . 7312 1 90 . 1 1 13 13 GLU CB C 13 28.165 0 . 1 . . . . 13 GLU CB . 7312 1 91 . 1 1 13 13 GLU N N 15 123.796 0 . 1 . . . . 13 GLU N . 7312 1 92 . 1 1 14 14 LYS H H 1 7.48 0 . 1 . . . . 14 LYS H . 7312 1 93 . 1 1 14 14 LYS HA H 1 3.98 0 . 1 . . . . 14 LYS HA . 7312 1 94 . 1 1 14 14 LYS HB2 H 1 1.905 0 . 1 . . . . 14 LYS HB2 . 7312 1 95 . 1 1 14 14 LYS C C 13 179.96 0 . 1 . . . . 14 LYS C . 7312 1 96 . 1 1 14 14 LYS CA C 13 59.588 0 . 1 . . . . 14 LYS CA . 7312 1 97 . 1 1 14 14 LYS CB C 13 31.869 0 . 1 . . . . 14 LYS CB . 7312 1 98 . 1 1 14 14 LYS N N 15 119.912 0 . 1 . . . . 14 LYS N . 7312 1 99 . 1 1 15 15 ALA H H 1 8.252 0 . 1 . . . . 15 ALA H . 7312 1 100 . 1 1 15 15 ALA HA H 1 4.059 0 . 1 . . . . 15 ALA HA . 7312 1 101 . 1 1 15 15 ALA HB1 H 1 1.256 0 . 2 . . . . 15 ALA HB . 7312 1 102 . 1 1 15 15 ALA HB2 H 1 1.256 0 . 2 . . . . 15 ALA HB . 7312 1 103 . 1 1 15 15 ALA HB3 H 1 1.256 0 . 2 . . . . 15 ALA HB . 7312 1 104 . 1 1 15 15 ALA C C 13 176.574 0 . 1 . . . . 15 ALA C . 7312 1 105 . 1 1 15 15 ALA CA C 13 53.528 0 . 1 . . . . 15 ALA CA . 7312 1 106 . 1 1 15 15 ALA CB C 13 18.476 0 . 1 . . . . 15 ALA CB . 7312 1 107 . 1 1 15 15 ALA N N 15 120.472 0 . 1 . . . . 15 ALA N . 7312 1 108 . 1 1 16 16 THR H H 1 7.144 0 . 1 . . . . 16 THR H . 7312 1 109 . 1 1 16 16 THR HA H 1 4.27 0 . 1 . . . . 16 THR HA . 7312 1 110 . 1 1 16 16 THR HB H 1 4.567 0 . 1 . . . . 16 THR HB . 7312 1 111 . 1 1 16 16 THR HG21 H 1 0.793 0 . 2 . . . . 16 THR HG1 . 7312 1 112 . 1 1 16 16 THR HG22 H 1 0.793 0 . 2 . . . . 16 THR HG1 . 7312 1 113 . 1 1 16 16 THR HG23 H 1 0.793 0 . 2 . . . . 16 THR HG1 . 7312 1 114 . 1 1 16 16 THR C C 13 172.607 0 . 1 . . . . 16 THR C . 7312 1 115 . 1 1 16 16 THR CA C 13 58.851 0 . 1 . . . . 16 THR CA . 7312 1 116 . 1 1 16 16 THR CB C 13 69.258 0 . 1 . . . . 16 THR CB . 7312 1 117 . 1 1 16 16 THR CG2 C 13 20.487 0 . 1 . . . . 16 THR CG2 . 7312 1 118 . 1 1 16 16 THR N N 15 105.093 0 . 1 . . . . 16 THR N . 7312 1 119 . 1 1 17 17 SER H H 1 6.324 0 . 1 . . . . 17 SER H . 7312 1 120 . 1 1 17 17 SER HA H 1 3.862 0 . 1 . . . . 17 SER HA . 7312 1 121 . 1 1 17 17 SER HB2 H 1 3.544 0 . 1 . . . . 17 SER HB2 . 7312 1 122 . 1 1 17 17 SER C C 13 177.333 0 . 1 . . . . 17 SER C . 7312 1 123 . 1 1 17 17 SER CA C 13 58.822 0 . 1 . . . . 17 SER CA . 7312 1 124 . 1 1 17 17 SER CB C 13 63.256 0 . 1 . . . . 17 SER CB . 7312 1 125 . 1 1 17 17 SER N N 15 116.426 0 . 1 . . . . 17 SER N . 7312 1 126 . 1 1 18 18 GLU H H 1 9.894 0 . 1 . . . . 18 GLU H . 7312 1 127 . 1 1 18 18 GLU HA H 1 3.796 0 . 1 . . . . 18 GLU HA . 7312 1 128 . 1 1 18 18 GLU HB2 H 1 2 0 . 1 . . . . 18 GLU HB2 . 7312 1 129 . 1 1 18 18 GLU C C 13 176.31 0 . 1 . . . . 18 GLU C . 7312 1 130 . 1 1 18 18 GLU CA C 13 58.77 0 . 1 . . . . 18 GLU CA . 7312 1 131 . 1 1 18 18 GLU CB C 13 28.376 0 . 1 . . . . 18 GLU CB . 7312 1 132 . 1 1 18 18 GLU N N 15 130.55 0 . 1 . . . . 18 GLU N . 7312 1 133 . 1 1 19 19 MET H H 1 7.997 0 . 1 . . . . 19 MET H . 7312 1 134 . 1 1 19 19 MET HA H 1 4.395 0 . 1 . . . . 19 MET HA . 7312 1 135 . 1 1 19 19 MET HB2 H 1 2.544 0 . 1 . . . . 19 MET HB2 . 7312 1 136 . 1 1 19 19 MET C C 13 177.224 0 . 1 . . . . 19 MET C . 7312 1 137 . 1 1 19 19 MET CA C 13 54.721 0 . 1 . . . . 19 MET CA . 7312 1 138 . 1 1 19 19 MET CB C 13 31.759 0 . 1 . . . . 19 MET CB . 7312 1 139 . 1 1 19 19 MET N N 15 116.202 0 . 1 . . . . 19 MET N . 7312 1 140 . 1 1 20 20 ASN H H 1 7.387 0 . 1 . . . . 20 ASN H . 7312 1 141 . 1 1 20 20 ASN C C 13 177.169 0 . 1 . . . . 20 ASN C . 7312 1 142 . 1 1 20 20 ASN CA C 13 53.468 0 . 1 . . . . 20 ASN CA . 7312 1 143 . 1 1 20 20 ASN CB C 13 37.824 0 . 1 . . . . 20 ASN CB . 7312 1 144 . 1 1 20 20 ASN N N 15 119.298 0 . 1 . . . . 20 ASN N . 7312 1 145 . 1 1 21 21 THR HA H 1 4.341 0 . 1 . . . . 21 THR HA . 7312 1 146 . 1 1 21 21 THR HB H 1 3.027 0 . 1 . . . . 21 THR HB . 7312 1 147 . 1 1 21 21 THR HG21 H 1 1.205 0 . 2 . . . . 21 THR HG1 . 7312 1 148 . 1 1 21 21 THR HG22 H 1 1.205 0 . 2 . . . . 21 THR HG1 . 7312 1 149 . 1 1 21 21 THR HG23 H 1 1.205 0 . 2 . . . . 21 THR HG1 . 7312 1 150 . 1 1 21 21 THR C C 13 173.803 0 . 1 . . . . 21 THR C . 7312 1 151 . 1 1 21 21 THR CA C 13 61.822 0 . 1 . . . . 21 THR CA . 7312 1 152 . 1 1 21 21 THR CB C 13 68.674 0 . 1 . . . . 21 THR CB . 7312 1 153 . 1 1 21 21 THR CG2 C 13 21.549 0 . 1 . . . . 21 THR CG2 . 7312 1 154 . 1 1 22 22 ALA H H 1 7.643 0 . 1 . . . . 22 ALA H . 7312 1 155 . 1 1 22 22 ALA HA H 1 4.448 0 . 1 . . . . 22 ALA HA . 7312 1 156 . 1 1 22 22 ALA HB1 H 1 1.398 0 . 2 . . . . 22 ALA HB . 7312 1 157 . 1 1 22 22 ALA HB2 H 1 1.398 0 . 2 . . . . 22 ALA HB . 7312 1 158 . 1 1 22 22 ALA HB3 H 1 1.398 0 . 2 . . . . 22 ALA HB . 7312 1 159 . 1 1 22 22 ALA C C 13 176.344 0 . 1 . . . . 22 ALA C . 7312 1 160 . 1 1 22 22 ALA CA C 13 51.007 0 . 1 . . . . 22 ALA CA . 7312 1 161 . 1 1 22 22 ALA CB C 13 21.392 0 . 1 . . . . 22 ALA CB . 7312 1 162 . 1 1 22 22 ALA N N 15 124.675 0 . 1 . . . . 22 ALA N . 7312 1 163 . 1 1 23 23 GLU H H 1 8.661 0 . 1 . . . . 23 GLU H . 7312 1 164 . 1 1 23 23 GLU HA H 1 4.443 0 . 1 . . . . 23 GLU HA . 7312 1 165 . 1 1 23 23 GLU HB2 H 1 1.833 0 . 1 . . . . 23 GLU HB2 . 7312 1 166 . 1 1 23 23 GLU HB3 H 1 1.204 0 . 1 . . . . 23 GLU HB3 . 7312 1 167 . 1 1 23 23 GLU C C 13 175.926 0 . 1 . . . . 23 GLU C . 7312 1 168 . 1 1 23 23 GLU CA C 13 56.761 0 . 1 . . . . 23 GLU CA . 7312 1 169 . 1 1 23 23 GLU CB C 13 29.576 0 . 1 . . . . 23 GLU CB . 7312 1 170 . 1 1 23 23 GLU N N 15 120.845 0 . 1 . . . . 23 GLU N . 7312 1 171 . 1 1 24 24 ASP H H 1 8.696 0 . 1 . . . . 24 ASP H . 7312 1 172 . 1 1 24 24 ASP HA H 1 4.761 0 . 1 . . . . 24 ASP HA . 7312 1 173 . 1 1 24 24 ASP HB2 H 1 2.883 0 . 1 . . . . 24 ASP HB2 . 7312 1 174 . 1 1 24 24 ASP HB3 H 1 2.394 0 . 1 . . . . 24 ASP HB3 . 7312 1 175 . 1 1 24 24 ASP C C 13 175.965 0 . 1 . . . . 24 ASP C . 7312 1 176 . 1 1 24 24 ASP CA C 13 51.711 0 . 1 . . . . 24 ASP CA . 7312 1 177 . 1 1 24 24 ASP CB C 13 39.899 0 . 1 . . . . 24 ASP CB . 7312 1 178 . 1 1 24 24 ASP N N 15 124.731 0 . 1 . . . . 24 ASP N . 7312 1 179 . 1 1 25 25 TRP H H 1 8.501 0 . 1 . . . . 25 TRP H . 7312 1 180 . 1 1 25 25 TRP HA H 1 4.074 0 . 1 . . . . 25 TRP HA . 7312 1 181 . 1 1 25 25 TRP HB2 H 1 3.254 0 . 1 . . . . 25 TRP HB2 . 7312 1 182 . 1 1 25 25 TRP C C 13 178.102 0 . 1 . . . . 25 TRP C . 7312 1 183 . 1 1 25 25 TRP CA C 13 60.917 0 . 1 . . . . 25 TRP CA . 7312 1 184 . 1 1 25 25 TRP CB C 13 28.315 0 . 1 . . . . 25 TRP CB . 7312 1 185 . 1 1 25 25 TRP N N 15 125.253 0 . 1 . . . . 25 TRP N . 7312 1 186 . 1 1 26 26 GLY H H 1 8.353 0 . 1 . . . . 26 GLY H . 7312 1 187 . 1 1 26 26 GLY HA2 H 1 3.797 0 . 1 . . . . 26 GLY HA2 . 7312 1 188 . 1 1 26 26 GLY C C 13 176.146 0 . 1 . . . . 26 GLY C . 7312 1 189 . 1 1 26 26 GLY CA C 13 47.043 0 . 1 . . . . 26 GLY CA . 7312 1 190 . 1 1 26 26 GLY N N 15 108.874 0 . 1 . . . . 26 GLY N . 7312 1 191 . 1 1 27 27 LEU H H 1 7.264 0 . 1 . . . . 27 LEU H . 7312 1 192 . 1 1 27 27 LEU HA H 1 4.123 0 . 1 . . . . 27 LEU HA . 7312 1 193 . 1 1 27 27 LEU HB2 H 1 1.536 0 . 1 . . . . 27 LEU HB2 . 7312 1 194 . 1 1 27 27 LEU C C 13 178.817 0 . 1 . . . . 27 LEU C . 7312 1 195 . 1 1 27 27 LEU CA C 13 56.895 0 . 1 . . . . 27 LEU CA . 7312 1 196 . 1 1 27 27 LEU CB C 13 40.985 0 . 1 . . . . 27 LEU CB . 7312 1 197 . 1 1 27 27 LEU N N 15 124.195 0 . 1 . . . . 27 LEU N . 7312 1 198 . 1 1 28 28 ILE H H 1 7.862 0 . 1 . . . . 28 ILE H . 7312 1 199 . 1 1 28 28 ILE HA H 1 3.208 0 . 1 . . . . 28 ILE HA . 7312 1 200 . 1 1 28 28 ILE HB H 1 1.507 0 . 1 . . . . 28 ILE HB . 7312 1 201 . 1 1 28 28 ILE HG12 H 1 0.509 0 . 1 . . . . 28 ILE HG12 . 7312 1 202 . 1 1 28 28 ILE HG13 H 1 0.435 0 . 1 . . . . 28 ILE HG13 . 7312 1 203 . 1 1 28 28 ILE HD11 H 1 -0.27 0 . 2 . . . . 28 ILE HD1 . 7312 1 204 . 1 1 28 28 ILE HD12 H 1 -0.27 0 . 2 . . . . 28 ILE HD1 . 7312 1 205 . 1 1 28 28 ILE HD13 H 1 -0.27 0 . 2 . . . . 28 ILE HD1 . 7312 1 206 . 1 1 28 28 ILE C C 13 177.957 0 . 1 . . . . 28 ILE C . 7312 1 207 . 1 1 28 28 ILE CA C 13 66.164 0 . 1 . . . . 28 ILE CA . 7312 1 208 . 1 1 28 28 ILE CB C 13 37.314 0 . 1 . . . . 28 ILE CB . 7312 1 209 . 1 1 28 28 ILE CG1 C 13 29.181 0 . 1 . . . . 28 ILE CG1 . 7312 1 210 . 1 1 28 28 ILE CG2 C 13 16.695 0 . 1 . . . . 28 ILE CG2 . 7312 1 211 . 1 1 28 28 ILE CD1 C 13 11.07 0 . 1 . . . . 28 ILE CD1 . 7312 1 212 . 1 1 28 28 ILE N N 15 119.367 0 . 1 . . . . 28 ILE N . 7312 1 213 . 1 1 29 29 LEU H H 1 8.221 0 . 1 . . . . 29 LEU H . 7312 1 214 . 1 1 29 29 LEU C C 13 179.617 0 . 1 . . . . 29 LEU C . 7312 1 215 . 1 1 29 29 LEU CA C 13 57.855 0 . 1 . . . . 29 LEU CA . 7312 1 216 . 1 1 29 29 LEU CB C 13 39.674 0 . 1 . . . . 29 LEU CB . 7312 1 217 . 1 1 29 29 LEU N N 15 119.205 0 . 1 . . . . 29 LEU N . 7312 1 218 . 1 1 30 30 ASP H H 1 7.753 0 . 1 . . . . 30 ASP H . 7312 1 219 . 1 1 30 30 ASP HA H 1 4.366 0 . 1 . . . . 30 ASP HA . 7312 1 220 . 1 1 30 30 ASP C C 13 179.177 0 . 1 . . . . 30 ASP C . 7312 1 221 . 1 1 30 30 ASP CA C 13 57.552 0 . 1 . . . . 30 ASP CA . 7312 1 222 . 1 1 30 30 ASP CB C 13 40.306 0 . 1 . . . . 30 ASP CB . 7312 1 223 . 1 1 30 30 ASP N N 15 122.627 0 . 1 . . . . 30 ASP N . 7312 1 224 . 1 1 31 31 ILE H H 1 8.141 0 . 1 . . . . 31 ILE H . 7312 1 225 . 1 1 31 31 ILE HA H 1 3.527 0 . 1 . . . . 31 ILE HA . 7312 1 226 . 1 1 31 31 ILE HB H 1 2.032 0 . 1 . . . . 31 ILE HB . 7312 1 227 . 1 1 31 31 ILE HG12 H 1 0.89 0 . 1 . . . . 31 ILE HG12 . 7312 1 228 . 1 1 31 31 ILE HG13 H 1 0.812 0 . 1 . . . . 31 ILE HG13 . 7312 1 229 . 1 1 31 31 ILE HD11 H 1 0.624 0 . 2 . . . . 31 ILE HD1 . 7312 1 230 . 1 1 31 31 ILE HD12 H 1 0.624 0 . 2 . . . . 31 ILE HD1 . 7312 1 231 . 1 1 31 31 ILE HD13 H 1 0.624 0 . 2 . . . . 31 ILE HD1 . 7312 1 232 . 1 1 31 31 ILE C C 13 177.777 0 . 1 . . . . 31 ILE C . 7312 1 233 . 1 1 31 31 ILE CA C 13 66.288 0 . 1 . . . . 31 ILE CA . 7312 1 234 . 1 1 31 31 ILE CB C 13 36.986 0 . 1 . . . . 31 ILE CB . 7312 1 235 . 1 1 31 31 ILE CG1 C 13 29.783 0 . 1 . . . . 31 ILE CG1 . 7312 1 236 . 1 1 31 31 ILE CG2 C 13 17.547 0 . 1 . . . . 31 ILE CG2 . 7312 1 237 . 1 1 31 31 ILE CD1 C 13 14.445 0 . 1 . . . . 31 ILE CD1 . 7312 1 238 . 1 1 31 31 ILE N N 15 122.289 0 . 1 . . . . 31 ILE N . 7312 1 239 . 1 1 32 32 CYS H H 1 7.799 0 . 1 . . . . 32 CYS H . 7312 1 240 . 1 1 32 32 CYS HA H 1 4.181 0 . 1 . . . . 32 CYS HA . 7312 1 241 . 1 1 32 32 CYS HB2 H 1 1.34 0 . 1 . . . . 32 CYS HB2 . 7312 1 242 . 1 1 32 32 CYS C C 13 177.558 0 . 1 . . . . 32 CYS C . 7312 1 243 . 1 1 32 32 CYS CA C 13 63.885 0 . 1 . . . . 32 CYS CA . 7312 1 244 . 1 1 32 32 CYS CB C 13 26.461 0 . 1 . . . . 32 CYS CB . 7312 1 245 . 1 1 32 32 CYS N N 15 116.518 0 . 1 . . . . 32 CYS N . 7312 1 246 . 1 1 33 33 ASP H H 1 8.009 0 . 1 . . . . 33 ASP H . 7312 1 247 . 1 1 33 33 ASP HA H 1 4.186 0 . 1 . . . . 33 ASP HA . 7312 1 248 . 1 1 33 33 ASP HB2 H 1 2.738 0 . 1 . . . . 33 ASP HB2 . 7312 1 249 . 1 1 33 33 ASP C C 13 178.776 0 . 1 . . . . 33 ASP C . 7312 1 250 . 1 1 33 33 ASP CA C 13 57.439 0 . 1 . . . . 33 ASP CA . 7312 1 251 . 1 1 33 33 ASP CB C 13 38.682 0 . 1 . . . . 33 ASP CB . 7312 1 252 . 1 1 33 33 ASP N N 15 120.745 0 . 1 . . . . 33 ASP N . 7312 1 253 . 1 1 34 34 LYS H H 1 8.052 0 . 1 . . . . 34 LYS H . 7312 1 254 . 1 1 34 34 LYS HA H 1 3.889 0 . 1 . . . . 34 LYS HA . 7312 1 255 . 1 1 34 34 LYS C C 13 180.268 0 . 1 . . . . 34 LYS C . 7312 1 256 . 1 1 34 34 LYS CA C 13 59.508 0 . 1 . . . . 34 LYS CA . 7312 1 257 . 1 1 34 34 LYS CB C 13 32.502 0 . 1 . . . . 34 LYS CB . 7312 1 258 . 1 1 34 34 LYS N N 15 121.428 0 . 1 . . . . 34 LYS N . 7312 1 259 . 1 1 35 35 VAL H H 1 7.994 0 . 1 . . . . 35 VAL H . 7312 1 260 . 1 1 35 35 VAL HA H 1 3.434 0 . 1 . . . . 35 VAL HA . 7312 1 261 . 1 1 35 35 VAL HB H 1 2.398 0 . 1 . . . . 35 VAL HB . 7312 1 262 . 1 1 35 35 VAL C C 13 176.284 0 . 1 . . . . 35 VAL C . 7312 1 263 . 1 1 35 35 VAL CA C 13 67.519 0 . 1 . . . . 35 VAL CA . 7312 1 264 . 1 1 35 35 VAL CB C 13 31.673 0 . 1 . . . . 35 VAL CB . 7312 1 265 . 1 1 35 35 VAL N N 15 122.618 0 . 1 . . . . 35 VAL N . 7312 1 266 . 1 1 36 36 GLY H H 1 7.258 0 . 1 . . . . 36 GLY H . 7312 1 267 . 1 1 36 36 GLY HA2 H 1 4.205 0 . 1 . . . . 36 GLY HA2 . 7312 1 268 . 1 1 36 36 GLY C C 13 175.459 0 . 1 . . . . 36 GLY C . 7312 1 269 . 1 1 36 36 GLY CA C 13 45.352 0 . 1 . . . . 36 GLY CA . 7312 1 270 . 1 1 36 36 GLY N N 15 101.24 0 . 1 . . . . 36 GLY N . 7312 1 271 . 1 1 37 37 GLN H H 1 7.456 0 . 1 . . . . 37 GLN H . 7312 1 272 . 1 1 37 37 GLN HA H 1 4.317 0 . 1 . . . . 37 GLN HA . 7312 1 273 . 1 1 37 37 GLN HB2 H 1 2.328 0 . 1 . . . . 37 GLN HB2 . 7312 1 274 . 1 1 37 37 GLN HB3 H 1 1.935 0 . 1 . . . . 37 GLN HB3 . 7312 1 275 . 1 1 37 37 GLN C C 13 175.261 0 . 1 . . . . 37 GLN C . 7312 1 276 . 1 1 37 37 GLN CA C 13 55.824 0 . 1 . . . . 37 GLN CA . 7312 1 277 . 1 1 37 37 GLN CB C 13 28.291 0 . 1 . . . . 37 GLN CB . 7312 1 278 . 1 1 37 37 GLN N N 15 116.963 0 . 1 . . . . 37 GLN N . 7312 1 279 . 1 1 38 38 SER H H 1 7.28 0 . 1 . . . . 38 SER H . 7312 1 280 . 1 1 38 38 SER HA H 1 4.878 0 . 1 . . . . 38 SER HA . 7312 1 281 . 1 1 38 38 SER HB2 H 1 3.686 0 . 1 . . . . 38 SER HB2 . 7312 1 282 . 1 1 38 38 SER C C 13 175.998 0 . 1 . . . . 38 SER C . 7312 1 283 . 1 1 38 38 SER CA C 13 56.163 0 . 1 . . . . 38 SER CA . 7312 1 284 . 1 1 38 38 SER CB C 13 65.049 0 . 1 . . . . 38 SER CB . 7312 1 285 . 1 1 38 38 SER N N 15 111.511 0 . 1 . . . . 38 SER N . 7312 1 286 . 1 1 39 39 ARG HA H 1 4.194 0 . 1 . . . . 39 ARG HA . 7312 1 287 . 1 1 39 39 ARG HB2 H 1 1.948 0 . 1 . . . . 39 ARG HB2 . 7312 1 288 . 1 1 39 39 ARG C C 13 178.164 0 . 1 . . . . 39 ARG C . 7312 1 289 . 1 1 39 39 ARG CA C 13 58.814 0 . 1 . . . . 39 ARG CA . 7312 1 290 . 1 1 39 39 ARG CB C 13 29.663 0 . 1 . . . . 39 ARG CB . 7312 1 291 . 1 1 40 40 THR H H 1 7.715 0 . 1 . . . . 40 THR H . 7312 1 292 . 1 1 40 40 THR HA H 1 4.548 0 . 1 . . . . 40 THR HA . 7312 1 293 . 1 1 40 40 THR HB H 1 4.617 0 . 1 . . . . 40 THR HB . 7312 1 294 . 1 1 40 40 THR HG21 H 1 1.134 0 . 2 . . . . 40 THR HG1 . 7312 1 295 . 1 1 40 40 THR HG22 H 1 1.134 0 . 2 . . . . 40 THR HG1 . 7312 1 296 . 1 1 40 40 THR HG23 H 1 1.134 0 . 2 . . . . 40 THR HG1 . 7312 1 297 . 1 1 40 40 THR C C 13 173.854 0 . 1 . . . . 40 THR C . 7312 1 298 . 1 1 40 40 THR CA C 13 61.091 0 . 1 . . . . 40 THR CA . 7312 1 299 . 1 1 40 40 THR CB C 13 67.656 0 . 1 . . . . 40 THR CB . 7312 1 300 . 1 1 40 40 THR CG2 C 13 21.256 0 . 1 . . . . 40 THR CG2 . 7312 1 301 . 1 1 40 40 THR N N 15 107.519 0 . 1 . . . . 40 THR N . 7312 1 302 . 1 1 41 41 GLY H H 1 7.631 0 . 1 . . . . 41 GLY H . 7312 1 303 . 1 1 41 41 GLY HA2 H 1 4.098 0 . 1 . . . . 41 GLY HA2 . 7312 1 304 . 1 1 41 41 GLY C C 13 172.717 0 . 1 . . . . 41 GLY C . 7312 1 305 . 1 1 41 41 GLY CA C 13 48.197 0 . 1 . . . . 41 GLY CA . 7312 1 306 . 1 1 41 41 GLY N N 15 110.765 0 . 1 . . . . 41 GLY N . 7312 1 307 . 1 1 42 42 PRO HA H 1 3.91 0 . 1 . . . . 42 PRO HA . 7312 1 308 . 1 1 42 42 PRO HB2 H 1 1.927 0 . 1 . . . . 42 PRO HB2 . 7312 1 309 . 1 1 42 42 PRO C C 13 176.621 0 . 1 . . . . 42 PRO C . 7312 1 310 . 1 1 42 42 PRO CA C 13 66.623 0 . 1 . . . . 42 PRO CA . 7312 1 311 . 1 1 42 42 PRO CB C 13 32.062 0 . 1 . . . . 42 PRO CB . 7312 1 312 . 1 1 43 43 LYS H H 1 7.459 0 . 1 . . . . 43 LYS H . 7312 1 313 . 1 1 43 43 LYS HA H 1 3.565 0 . 1 . . . . 43 LYS HA . 7312 1 314 . 1 1 43 43 LYS HB2 H 1 2.228 0 . 1 . . . . 43 LYS HB2 . 7312 1 315 . 1 1 43 43 LYS C C 13 178.398 0 . 1 . . . . 43 LYS C . 7312 1 316 . 1 1 43 43 LYS CA C 13 59.601 0 . 1 . . . . 43 LYS CA . 7312 1 317 . 1 1 43 43 LYS CB C 13 32.027 0 . 1 . . . . 43 LYS CB . 7312 1 318 . 1 1 43 43 LYS CG C 13 24.024 0 . 1 . . . . 43 LYS CG . 7312 1 319 . 1 1 43 43 LYS CD C 13 28.558 0 . 1 . . . . 43 LYS CD . 7312 1 320 . 1 1 43 43 LYS N N 15 117.32 0 . 1 . . . . 43 LYS N . 7312 1 321 . 1 1 44 44 ASP H H 1 8.511 0 . 1 . . . . 44 ASP H . 7312 1 322 . 1 1 44 44 ASP HA H 1 4.261 0 . 1 . . . . 44 ASP HA . 7312 1 323 . 1 1 44 44 ASP HB2 H 1 2.805 0 . 1 . . . . 44 ASP HB2 . 7312 1 324 . 1 1 44 44 ASP C C 13 178.582 0 . 1 . . . . 44 ASP C . 7312 1 325 . 1 1 44 44 ASP CA C 13 57.36 0 . 1 . . . . 44 ASP CA . 7312 1 326 . 1 1 44 44 ASP CB C 13 39.441 0 . 1 . . . . 44 ASP CB . 7312 1 327 . 1 1 44 44 ASP N N 15 119.883 0 . 1 . . . . 44 ASP N . 7312 1 328 . 1 1 45 45 CYS H H 1 8.627 0 . 1 . . . . 45 CYS H . 7312 1 329 . 1 1 45 45 CYS HA H 1 3.179 0 . 1 . . . . 45 CYS HA . 7312 1 330 . 1 1 45 45 CYS HB2 H 1 2.4 0 . 1 . . . . 45 CYS HB2 . 7312 1 331 . 1 1 45 45 CYS C C 13 176.371 0 . 1 . . . . 45 CYS C . 7312 1 332 . 1 1 45 45 CYS CA C 13 62.214 0 . 1 . . . . 45 CYS CA . 7312 1 333 . 1 1 45 45 CYS CB C 13 26.188 0 . 1 . . . . 45 CYS CB . 7312 1 334 . 1 1 45 45 CYS N N 15 122.157 0 . 1 . . . . 45 CYS N . 7312 1 335 . 1 1 46 46 LEU H H 1 8.045 0 . 1 . . . . 46 LEU H . 7312 1 336 . 1 1 46 46 LEU HA H 1 3.894 0 . 1 . . . . 46 LEU HA . 7312 1 337 . 1 1 46 46 LEU HB2 H 1 1.833 0 . 1 . . . . 46 LEU HB2 . 7312 1 338 . 1 1 46 46 LEU CA C 13 62.192 0 . 1 . . . . 46 LEU CA . 7312 1 339 . 1 1 46 46 LEU CB C 13 40.585 0 . 1 . . . . 46 LEU CB . 7312 1 340 . 1 1 46 46 LEU N N 15 119.233 0 . 1 . . . . 46 LEU N . 7312 1 341 . 1 1 47 47 ARG H H 1 8.101 0 . 1 . . . . 47 ARG H . 7312 1 342 . 1 1 47 47 ARG HA H 1 3.936 0 . 1 . . . . 47 ARG HA . 7312 1 343 . 1 1 47 47 ARG HB2 H 1 1.827 0 . 1 . . . . 47 ARG HB2 . 7312 1 344 . 1 1 47 47 ARG C C 13 179.649 0 . 1 . . . . 47 ARG C . 7312 1 345 . 1 1 47 47 ARG CA C 13 59.333 0 . 1 . . . . 47 ARG CA . 7312 1 346 . 1 1 47 47 ARG CB C 13 30.648 0 . 1 . . . . 47 ARG CB . 7312 1 347 . 1 1 47 47 ARG N N 15 117.502 0 . 1 . . . . 47 ARG N . 7312 1 348 . 1 1 48 48 SER H H 1 7.525 0 . 1 . . . . 48 SER H . 7312 1 349 . 1 1 48 48 SER HA H 1 3.965 0 . 1 . . . . 48 SER HA . 7312 1 350 . 1 1 48 48 SER C C 13 178.803 0 . 1 . . . . 48 SER C . 7312 1 351 . 1 1 48 48 SER CA C 13 62.177 0 . 1 . . . . 48 SER CA . 7312 1 352 . 1 1 48 48 SER CB C 13 64.018 0 . 1 . . . . 48 SER CB . 7312 1 353 . 1 1 48 48 SER N N 15 114.775 0 . 1 . . . . 48 SER N . 7312 1 354 . 1 1 49 49 ILE H H 1 8.784 0 . 1 . . . . 49 ILE H . 7312 1 355 . 1 1 49 49 ILE HA H 1 3.401 0 . 1 . . . . 49 ILE HA . 7312 1 356 . 1 1 49 49 ILE HB H 1 1.94 0 . 1 . . . . 49 ILE HB . 7312 1 357 . 1 1 49 49 ILE C C 13 179.531 0 . 1 . . . . 49 ILE C . 7312 1 358 . 1 1 49 49 ILE CA C 13 66.368 0 . 1 . . . . 49 ILE CA . 7312 1 359 . 1 1 49 49 ILE CB C 13 38.632 0 . 1 . . . . 49 ILE CB . 7312 1 360 . 1 1 49 49 ILE N N 15 119.789 0 . 1 . . . . 49 ILE N . 7312 1 361 . 1 1 50 50 MET H H 1 8.735 0 . 1 . . . . 50 MET H . 7312 1 362 . 1 1 50 50 MET HA H 1 4.623 0 . 1 . . . . 50 MET HA . 7312 1 363 . 1 1 50 50 MET HB2 H 1 1.913 0 . 1 . . . . 50 MET HB2 . 7312 1 364 . 1 1 50 50 MET C C 13 179.743 0 . 1 . . . . 50 MET C . 7312 1 365 . 1 1 50 50 MET CA C 13 56.318 0 . 1 . . . . 50 MET CA . 7312 1 366 . 1 1 50 50 MET CB C 13 27.982 0 . 1 . . . . 50 MET CB . 7312 1 367 . 1 1 50 50 MET N N 15 116.884 0 . 1 . . . . 50 MET N . 7312 1 368 . 1 1 51 51 ARG H H 1 7.498 0 . 1 . . . . 51 ARG H . 7312 1 369 . 1 1 51 51 ARG HA H 1 4.15 0 . 1 . . . . 51 ARG HA . 7312 1 370 . 1 1 51 51 ARG HB2 H 1 1.914 0 . 1 . . . . 51 ARG HB2 . 7312 1 371 . 1 1 51 51 ARG C C 13 179.491 0 . 1 . . . . 51 ARG C . 7312 1 372 . 1 1 51 51 ARG CA C 13 59.669 0 . 1 . . . . 51 ARG CA . 7312 1 373 . 1 1 51 51 ARG CB C 13 30.067 0 . 1 . . . . 51 ARG CB . 7312 1 374 . 1 1 51 51 ARG N N 15 120.681 0 . 1 . . . . 51 ARG N . 7312 1 375 . 1 1 52 52 ARG H H 1 7.288 0 . 1 . . . . 52 ARG H . 7312 1 376 . 1 1 52 52 ARG HA H 1 4.186 0 . 1 . . . . 52 ARG HA . 7312 1 377 . 1 1 52 52 ARG HB2 H 1 1.912 0 . 1 . . . . 52 ARG HB2 . 7312 1 378 . 1 1 52 52 ARG C C 13 178.247 0 . 1 . . . . 52 ARG C . 7312 1 379 . 1 1 52 52 ARG CA C 13 55.354 0 . 1 . . . . 52 ARG CA . 7312 1 380 . 1 1 52 52 ARG CB C 13 27.765 0 . 1 . . . . 52 ARG CB . 7312 1 381 . 1 1 52 52 ARG N N 15 117.89 0 . 1 . . . . 52 ARG N . 7312 1 382 . 1 1 53 53 VAL H H 1 8.322 0 . 1 . . . . 53 VAL H . 7312 1 383 . 1 1 53 53 VAL HA H 1 3.716 0 . 1 . . . . 53 VAL HA . 7312 1 384 . 1 1 53 53 VAL HB H 1 2.222 0 . 1 . . . . 53 VAL HB . 7312 1 385 . 1 1 53 53 VAL HG11 H 1 1.097 0 . 2 . . . . 53 VAL HG1 . 7312 1 386 . 1 1 53 53 VAL HG12 H 1 1.097 0 . 2 . . . . 53 VAL HG1 . 7312 1 387 . 1 1 53 53 VAL HG13 H 1 1.097 0 . 2 . . . . 53 VAL HG1 . 7312 1 388 . 1 1 53 53 VAL HG21 H 1 0.904 0 . 2 . . . . 53 VAL HG2 . 7312 1 389 . 1 1 53 53 VAL HG22 H 1 0.904 0 . 2 . . . . 53 VAL HG2 . 7312 1 390 . 1 1 53 53 VAL HG23 H 1 0.904 0 . 2 . . . . 53 VAL HG2 . 7312 1 391 . 1 1 53 53 VAL C C 13 174.949 0 . 1 . . . . 53 VAL C . 7312 1 392 . 1 1 53 53 VAL CA C 13 65.843 0 . 1 . . . . 53 VAL CA . 7312 1 393 . 1 1 53 53 VAL CB C 13 31.093 0 . 1 . . . . 53 VAL CB . 7312 1 394 . 1 1 53 53 VAL CG1 C 13 24.388 0 . 1 . . . . 53 VAL CG1 . 7312 1 395 . 1 1 53 53 VAL CG2 C 13 22.552 0 . 1 . . . . 53 VAL CG2 . 7312 1 396 . 1 1 53 53 VAL N N 15 121.737 0 . 1 . . . . 53 VAL N . 7312 1 397 . 1 1 54 54 ASN H H 1 6.984 0 . 1 . . . . 54 ASN H . 7312 1 398 . 1 1 54 54 ASN HA H 1 4.498 0 . 1 . . . . 54 ASN HA . 7312 1 399 . 1 1 54 54 ASN HB2 H 1 2.847 0 . 1 . . . . 54 ASN HB2 . 7312 1 400 . 1 1 54 54 ASN HB3 H 1 2.531 0 . 1 . . . . 54 ASN HB3 . 7312 1 401 . 1 1 54 54 ASN C C 13 173.867 0 . 1 . . . . 54 ASN C . 7312 1 402 . 1 1 54 54 ASN CA C 13 53.498 0 . 1 . . . . 54 ASN CA . 7312 1 403 . 1 1 54 54 ASN CB C 13 39.96 0 . 1 . . . . 54 ASN CB . 7312 1 404 . 1 1 54 54 ASN N N 15 113.75 0 . 1 . . . . 54 ASN N . 7312 1 405 . 1 1 55 55 HIS H H 1 7.338 0 . 1 . . . . 55 HIS H . 7312 1 406 . 1 1 55 55 HIS HA H 1 4.049 0 . 1 . . . . 55 HIS HA . 7312 1 407 . 1 1 55 55 HIS HB2 H 1 3.247 0 . 1 . . . . 55 HIS HB2 . 7312 1 408 . 1 1 55 55 HIS HB3 H 1 2.897 0 . 1 . . . . 55 HIS HB3 . 7312 1 409 . 1 1 55 55 HIS C C 13 174.955 0 . 1 . . . . 55 HIS C . 7312 1 410 . 1 1 55 55 HIS CA C 13 58.838 0 . 1 . . . . 55 HIS CA . 7312 1 411 . 1 1 55 55 HIS CB C 13 32.642 0 . 1 . . . . 55 HIS CB . 7312 1 412 . 1 1 55 55 HIS N N 15 124.054 0 . 1 . . . . 55 HIS N . 7312 1 413 . 1 1 56 56 LYS H H 1 7.772 0 . 1 . . . . 56 LYS H . 7312 1 414 . 1 1 56 56 LYS HA H 1 4.081 0 . 1 . . . . 56 LYS HA . 7312 1 415 . 1 1 56 56 LYS HB2 H 1 1.731 0 . 1 . . . . 56 LYS HB2 . 7312 1 416 . 1 1 56 56 LYS C C 13 177.584 0 . 1 . . . . 56 LYS C . 7312 1 417 . 1 1 56 56 LYS CA C 13 58.235 0 . 1 . . . . 56 LYS CA . 7312 1 418 . 1 1 56 56 LYS CB C 13 32.256 0 . 1 . . . . 56 LYS CB . 7312 1 419 . 1 1 56 56 LYS CG C 13 23.944 0 . 1 . . . . 56 LYS CG . 7312 1 420 . 1 1 56 56 LYS CD C 13 29.08 0 . 1 . . . . 56 LYS CD . 7312 1 421 . 1 1 56 56 LYS N N 15 124.684 0 . 1 . . . . 56 LYS N . 7312 1 422 . 1 1 57 57 ASP H H 1 11.84 0 . 1 . . . . 57 ASP H . 7312 1 423 . 1 1 57 57 ASP HA H 1 5.074 0 . 1 . . . . 57 ASP HA . 7312 1 424 . 1 1 57 57 ASP HB2 H 1 2.796 0 . 1 . . . . 57 ASP HB2 . 7312 1 425 . 1 1 57 57 ASP C C 13 175.613 0 . 1 . . . . 57 ASP C . 7312 1 426 . 1 1 57 57 ASP CA C 13 51.022 0 . 1 . . . . 57 ASP CA . 7312 1 427 . 1 1 57 57 ASP CB C 13 41.48 0 . 1 . . . . 57 ASP CB . 7312 1 428 . 1 1 57 57 ASP N N 15 129.726 0 . 1 . . . . 57 ASP N . 7312 1 429 . 1 1 58 58 PRO HA H 1 4.249 0 . 1 . . . . 58 PRO HA . 7312 1 430 . 1 1 58 58 PRO HB2 H 1 1.65 0 . 1 . . . . 58 PRO HB2 . 7312 1 431 . 1 1 58 58 PRO C C 13 177.721 0 . 1 . . . . 58 PRO C . 7312 1 432 . 1 1 58 58 PRO CA C 13 64.303 0 . 1 . . . . 58 PRO CA . 7312 1 433 . 1 1 58 58 PRO CB C 13 31.052 0 . 1 . . . . 58 PRO CB . 7312 1 434 . 1 1 59 59 HIS H H 1 8.652 0 . 1 . . . . 59 HIS H . 7312 1 435 . 1 1 59 59 HIS HA H 1 4.537 0 . 1 . . . . 59 HIS HA . 7312 1 436 . 1 1 59 59 HIS HB2 H 1 3.187 0 . 1 . . . . 59 HIS HB2 . 7312 1 437 . 1 1 59 59 HIS C C 13 179.714 0 . 1 . . . . 59 HIS C . 7312 1 438 . 1 1 59 59 HIS CA C 13 57.836 0 . 1 . . . . 59 HIS CA . 7312 1 439 . 1 1 59 59 HIS CB C 13 30.201 0 . 1 . . . . 59 HIS CB . 7312 1 440 . 1 1 59 59 HIS N N 15 118.417 0 . 1 . . . . 59 HIS N . 7312 1 441 . 1 1 60 60 VAL H H 1 7.117 0 . 1 . . . . 60 VAL H . 7312 1 442 . 1 1 60 60 VAL HA H 1 3.376 0 . 1 . . . . 60 VAL HA . 7312 1 443 . 1 1 60 60 VAL HB H 1 2.05 0 . 1 . . . . 60 VAL HB . 7312 1 444 . 1 1 60 60 VAL C C 13 177.888 0 . 1 . . . . 60 VAL C . 7312 1 445 . 1 1 60 60 VAL CA C 13 65.376 0 . 1 . . . . 60 VAL CA . 7312 1 446 . 1 1 60 60 VAL CB C 13 31.423 0 . 1 . . . . 60 VAL CB . 7312 1 447 . 1 1 60 60 VAL N N 15 122.385 0 . 1 . . . . 60 VAL N . 7312 1 448 . 1 1 61 61 ALA H H 1 7.521 0 . 1 . . . . 61 ALA H . 7312 1 449 . 1 1 61 61 ALA HA H 1 4.176 0 . 1 . . . . 61 ALA HA . 7312 1 450 . 1 1 61 61 ALA HB1 H 1 1.616 0 . 2 . . . . 61 ALA HB . 7312 1 451 . 1 1 61 61 ALA HB2 H 1 1.616 0 . 2 . . . . 61 ALA HB . 7312 1 452 . 1 1 61 61 ALA HB3 H 1 1.616 0 . 2 . . . . 61 ALA HB . 7312 1 453 . 1 1 61 61 ALA C C 13 180.546 0 . 1 . . . . 61 ALA C . 7312 1 454 . 1 1 61 61 ALA CA C 13 55.421 0 . 1 . . . . 61 ALA CA . 7312 1 455 . 1 1 61 61 ALA CB C 13 20.353 0 . 1 . . . . 61 ALA CB . 7312 1 456 . 1 1 61 61 ALA N N 15 122.206 0 . 1 . . . . 61 ALA N . 7312 1 457 . 1 1 62 62 MET H H 1 8.808 0 . 1 . . . . 62 MET H . 7312 1 458 . 1 1 62 62 MET HA H 1 4.252 0 . 1 . . . . 62 MET HA . 7312 1 459 . 1 1 62 62 MET HB2 H 1 2.166 0 . 1 . . . . 62 MET HB2 . 7312 1 460 . 1 1 62 62 MET C C 13 180.583 0 . 1 . . . . 62 MET C . 7312 1 461 . 1 1 62 62 MET CA C 13 57.723 0 . 1 . . . . 62 MET CA . 7312 1 462 . 1 1 62 62 MET CB C 13 30.903 0 . 1 . . . . 62 MET CB . 7312 1 463 . 1 1 62 62 MET N N 15 115.538 0 . 1 . . . . 62 MET N . 7312 1 464 . 1 1 63 63 GLN H H 1 7.125 0 . 1 . . . . 63 GLN H . 7312 1 465 . 1 1 63 63 GLN HA H 1 4.078 0 . 1 . . . . 63 GLN HA . 7312 1 466 . 1 1 63 63 GLN HB2 H 1 2.007 0 . 1 . . . . 63 GLN HB2 . 7312 1 467 . 1 1 63 63 GLN C C 13 179.082 0 . 1 . . . . 63 GLN C . 7312 1 468 . 1 1 63 63 GLN CA C 13 59.052 0 . 1 . . . . 63 GLN CA . 7312 1 469 . 1 1 63 63 GLN CB C 13 31.783 0 . 1 . . . . 63 GLN CB . 7312 1 470 . 1 1 63 63 GLN N N 15 119.317 0 . 1 . . . . 63 GLN N . 7312 1 471 . 1 1 64 64 ALA H H 1 8.394 0 . 1 . . . . 64 ALA H . 7312 1 472 . 1 1 64 64 ALA HA H 1 3.815 0 . 1 . . . . 64 ALA HA . 7312 1 473 . 1 1 64 64 ALA HB1 H 1 1.493 0 . 2 . . . . 64 ALA HB . 7312 1 474 . 1 1 64 64 ALA HB2 H 1 1.493 0 . 2 . . . . 64 ALA HB . 7312 1 475 . 1 1 64 64 ALA HB3 H 1 1.493 0 . 2 . . . . 64 ALA HB . 7312 1 476 . 1 1 64 64 ALA C C 13 178.733 0 . 1 . . . . 64 ALA C . 7312 1 477 . 1 1 64 64 ALA CA C 13 54.95 0 . 1 . . . . 64 ALA CA . 7312 1 478 . 1 1 64 64 ALA CB C 13 18.488 0 . 1 . . . . 64 ALA CB . 7312 1 479 . 1 1 64 64 ALA N N 15 124.451 0 . 1 . . . . 64 ALA N . 7312 1 480 . 1 1 65 65 LEU H H 1 8.095 0 . 1 . . . . 65 LEU H . 7312 1 481 . 1 1 65 65 LEU C C 13 179.066 0 . 1 . . . . 65 LEU C . 7312 1 482 . 1 1 65 65 LEU CA C 13 57.393 0 . 1 . . . . 65 LEU CA . 7312 1 483 . 1 1 65 65 LEU CB C 13 40.893 0 . 1 . . . . 65 LEU CB . 7312 1 484 . 1 1 65 65 LEU N N 15 119.455 0 . 1 . . . . 65 LEU N . 7312 1 485 . 1 1 66 66 THR H H 1 7.889 0 . 1 . . . . 66 THR H . 7312 1 486 . 1 1 66 66 THR HA H 1 4.337 0 . 1 . . . . 66 THR HA . 7312 1 487 . 1 1 66 66 THR C C 13 177.216 0 . 1 . . . . 66 THR C . 7312 1 488 . 1 1 66 66 THR CA C 13 66.392 0 . 1 . . . . 66 THR CA . 7312 1 489 . 1 1 66 66 THR CB C 13 67.618 0 . 1 . . . . 66 THR CB . 7312 1 490 . 1 1 66 66 THR N N 15 119.93 0 . 1 . . . . 66 THR N . 7312 1 491 . 1 1 67 67 LEU H H 1 7.623 0 . 1 . . . . 67 LEU H . 7312 1 492 . 1 1 67 67 LEU HA H 1 3.841 0 . 1 . . . . 67 LEU HA . 7312 1 493 . 1 1 67 67 LEU HB2 H 1 1.96 0 . 1 . . . . 67 LEU HB2 . 7312 1 494 . 1 1 67 67 LEU HB3 H 1 1.331 0 . 1 . . . . 67 LEU HB3 . 7312 1 495 . 1 1 67 67 LEU C C 13 177.023 0 . 1 . . . . 67 LEU C . 7312 1 496 . 1 1 67 67 LEU CA C 13 57.974 0 . 1 . . . . 67 LEU CA . 7312 1 497 . 1 1 67 67 LEU CB C 13 40.62 0 . 1 . . . . 67 LEU CB . 7312 1 498 . 1 1 67 67 LEU N N 15 124.453 0 . 1 . . . . 67 LEU N . 7312 1 499 . 1 1 68 68 LEU H H 1 8.773 0 . 1 . . . . 68 LEU H . 7312 1 500 . 1 1 68 68 LEU HA H 1 3.984 0 . 1 . . . . 68 LEU HA . 7312 1 501 . 1 1 68 68 LEU HB2 H 1 2.39 0 . 1 . . . . 68 LEU HB2 . 7312 1 502 . 1 1 68 68 LEU HB3 H 1 1.721 0 . 1 . . . . 68 LEU HB3 . 7312 1 503 . 1 1 68 68 LEU C C 13 178.586 0 . 1 . . . . 68 LEU C . 7312 1 504 . 1 1 68 68 LEU CA C 13 58.466 0 . 1 . . . . 68 LEU CA . 7312 1 505 . 1 1 68 68 LEU CB C 13 41.289 0 . 1 . . . . 68 LEU CB . 7312 1 506 . 1 1 68 68 LEU N N 15 121.733 0 . 1 . . . . 68 LEU N . 7312 1 507 . 1 1 69 69 GLY H H 1 8.755 0 . 1 . . . . 69 GLY H . 7312 1 508 . 1 1 69 69 GLY HA2 H 1 4.173 0 . 1 . . . . 69 GLY HA2 . 7312 1 509 . 1 1 69 69 GLY C C 13 176.299 0 . 1 . . . . 69 GLY C . 7312 1 510 . 1 1 69 69 GLY CA C 13 47.495 0 . 1 . . . . 69 GLY CA . 7312 1 511 . 1 1 69 69 GLY N N 15 104.486 0 . 1 . . . . 69 GLY N . 7312 1 512 . 1 1 70 70 ALA H H 1 8.171 0 . 1 . . . . 70 ALA H . 7312 1 513 . 1 1 70 70 ALA HA H 1 4.231 0 . 1 . . . . 70 ALA HA . 7312 1 514 . 1 1 70 70 ALA HB1 H 1 1.433 0 . 2 . . . . 70 ALA HB . 7312 1 515 . 1 1 70 70 ALA HB2 H 1 1.433 0 . 2 . . . . 70 ALA HB . 7312 1 516 . 1 1 70 70 ALA HB3 H 1 1.433 0 . 2 . . . . 70 ALA HB . 7312 1 517 . 1 1 70 70 ALA C C 13 180.071 0 . 1 . . . . 70 ALA C . 7312 1 518 . 1 1 70 70 ALA CA C 13 54.875 0 . 1 . . . . 70 ALA CA . 7312 1 519 . 1 1 70 70 ALA CB C 13 18.129 0 . 1 . . . . 70 ALA CB . 7312 1 520 . 1 1 70 70 ALA N N 15 126.13 0 . 1 . . . . 70 ALA N . 7312 1 521 . 1 1 71 71 CYS H H 1 8.398 0 . 1 . . . . 71 CYS H . 7312 1 522 . 1 1 71 71 CYS HA H 1 4.269 0 . 1 . . . . 71 CYS HA . 7312 1 523 . 1 1 71 71 CYS HB2 H 1 2.508 0 . 1 . . . . 71 CYS HB2 . 7312 1 524 . 1 1 71 71 CYS C C 13 177.584 0 . 1 . . . . 71 CYS C . 7312 1 525 . 1 1 71 71 CYS CA C 13 62.556 0 . 1 . . . . 71 CYS CA . 7312 1 526 . 1 1 71 71 CYS CB C 13 26.613 0 . 1 . . . . 71 CYS CB . 7312 1 527 . 1 1 71 71 CYS N N 15 119.242 0 . 1 . . . . 71 CYS N . 7312 1 528 . 1 1 72 72 VAL H H 1 7.934 0 . 1 . . . . 72 VAL H . 7312 1 529 . 1 1 72 72 VAL HA H 1 3.393 0 . 1 . . . . 72 VAL HA . 7312 1 530 . 1 1 72 72 VAL HB H 1 1.897 0 . 1 . . . . 72 VAL HB . 7312 1 531 . 1 1 72 72 VAL C C 13 178.324 0 . 1 . . . . 72 VAL C . 7312 1 532 . 1 1 72 72 VAL CA C 13 67.926 0 . 1 . . . . 72 VAL CA . 7312 1 533 . 1 1 72 72 VAL CB C 13 31.098 0 . 1 . . . . 72 VAL CB . 7312 1 534 . 1 1 72 72 VAL N N 15 120.861 0 . 1 . . . . 72 VAL N . 7312 1 535 . 1 1 73 73 SER H H 1 8.213 0 . 1 . . . . 73 SER H . 7312 1 536 . 1 1 73 73 SER HA H 1 4.357 0 . 1 . . . . 73 SER HA . 7312 1 537 . 1 1 73 73 SER HB2 H 1 3.882 0 . 1 . . . . 73 SER HB2 . 7312 1 538 . 1 1 73 73 SER C C 13 176.218 0 . 1 . . . . 73 SER C . 7312 1 539 . 1 1 73 73 SER CA C 13 61.976 0 . 1 . . . . 73 SER CA . 7312 1 540 . 1 1 73 73 SER CB C 13 63.076 0 . 1 . . . . 73 SER CB . 7312 1 541 . 1 1 73 73 SER N N 15 115.02 0 . 1 . . . . 73 SER N . 7312 1 542 . 1 1 74 74 ASN H H 1 8.132 0 . 1 . . . . 74 ASN H . 7312 1 543 . 1 1 74 74 ASN HA H 1 4.912 0 . 1 . . . . 74 ASN HA . 7312 1 544 . 1 1 74 74 ASN HB2 H 1 2.742 0 . 1 . . . . 74 ASN HB2 . 7312 1 545 . 1 1 74 74 ASN C C 13 177.5 0 . 1 . . . . 74 ASN C . 7312 1 546 . 1 1 74 74 ASN CA C 13 55.196 0 . 1 . . . . 74 ASN CA . 7312 1 547 . 1 1 74 74 ASN CB C 13 40.839 0 . 1 . . . . 74 ASN CB . 7312 1 548 . 1 1 74 74 ASN N N 15 115.401 0 . 1 . . . . 74 ASN N . 7312 1 549 . 1 1 75 75 CYS H H 1 8.317 0 . 1 . . . . 75 CYS H . 7312 1 550 . 1 1 75 75 CYS HA H 1 4.268 0 . 1 . . . . 75 CYS HA . 7312 1 551 . 1 1 75 75 CYS HB2 H 1 3.079 0 . 1 . . . . 75 CYS HB2 . 7312 1 552 . 1 1 75 75 CYS HB3 H 1 2.468 0 . 1 . . . . 75 CYS HB3 . 7312 1 553 . 1 1 75 75 CYS C C 13 175.158 0 . 1 . . . . 75 CYS C . 7312 1 554 . 1 1 75 75 CYS CA C 13 60.972 0 . 1 . . . . 75 CYS CA . 7312 1 555 . 1 1 75 75 CYS CB C 13 28.72 0 . 1 . . . . 75 CYS CB . 7312 1 556 . 1 1 75 75 CYS N N 15 116.265 0 . 1 . . . . 75 CYS N . 7312 1 557 . 1 1 76 76 GLY H H 1 7.761 0 . 1 . . . . 76 GLY H . 7312 1 558 . 1 1 76 76 GLY HA2 H 1 3.919 0 . 1 . . . . 76 GLY HA2 . 7312 1 559 . 1 1 76 76 GLY HA3 H 1 3.822 0 . 1 . . . . 76 GLY HA3 . 7312 1 560 . 1 1 76 76 GLY C C 13 172.804 0 . 1 . . . . 76 GLY C . 7312 1 561 . 1 1 76 76 GLY CA C 13 44.285 0 . 1 . . . . 76 GLY CA . 7312 1 562 . 1 1 76 76 GLY N N 15 106.553 0 . 1 . . . . 76 GLY N . 7312 1 563 . 1 1 77 77 LYS H H 1 8.048 0 . 1 . . . . 77 LYS H . 7312 1 564 . 1 1 77 77 LYS HA H 1 3.712 0 . 1 . . . . 77 LYS HA . 7312 1 565 . 1 1 77 77 LYS HB2 H 1 1.777 0 . 1 . . . . 77 LYS HB2 . 7312 1 566 . 1 1 77 77 LYS HG2 H 1 1.696 0 . 1 . . . . 77 LYS HG2 . 7312 1 567 . 1 1 77 77 LYS C C 13 177.006 0 . 1 . . . . 77 LYS C . 7312 1 568 . 1 1 77 77 LYS CA C 13 58.617 0 . 1 . . . . 77 LYS CA . 7312 1 569 . 1 1 77 77 LYS CB C 13 31.463 0 . 1 . . . . 77 LYS CB . 7312 1 570 . 1 1 77 77 LYS CG C 13 25.109 0 . 1 . . . . 77 LYS CG . 7312 1 571 . 1 1 77 77 LYS CD C 13 28.228 0 . 1 . . . . 77 LYS CD . 7312 1 572 . 1 1 77 77 LYS CE C 13 41.729 0 . 1 . . . . 77 LYS CE . 7312 1 573 . 1 1 77 77 LYS N N 15 119.636 0 . 1 . . . . 77 LYS N . 7312 1 574 . 1 1 78 78 ILE H H 1 8.158 0 . 1 . . . . 78 ILE H . 7312 1 575 . 1 1 78 78 ILE HA H 1 3.873 0 . 1 . . . . 78 ILE HA . 7312 1 576 . 1 1 78 78 ILE HB H 1 1.844 0 . 1 . . . . 78 ILE HB . 7312 1 577 . 1 1 78 78 ILE HG12 H 1 1.309 0 . 1 . . . . 78 ILE HG12 . 7312 1 578 . 1 1 78 78 ILE HG13 H 1 0.884 0 . 1 . . . . 78 ILE HG13 . 7312 1 579 . 1 1 78 78 ILE HD11 H 1 0.808 0 . 2 . . . . 78 ILE HD1 . 7312 1 580 . 1 1 78 78 ILE HD12 H 1 0.808 0 . 2 . . . . 78 ILE HD1 . 7312 1 581 . 1 1 78 78 ILE HD13 H 1 0.808 0 . 2 . . . . 78 ILE HD1 . 7312 1 582 . 1 1 78 78 ILE C C 13 176.805 0 . 1 . . . . 78 ILE C . 7312 1 583 . 1 1 78 78 ILE CA C 13 63.625 0 . 1 . . . . 78 ILE CA . 7312 1 584 . 1 1 78 78 ILE CB C 13 37 0 . 1 . . . . 78 ILE CB . 7312 1 585 . 1 1 78 78 ILE CG1 C 13 27.371 0 . 1 . . . . 78 ILE CG1 . 7312 1 586 . 1 1 78 78 ILE CG2 C 13 17.469 0 . 1 . . . . 78 ILE CG2 . 7312 1 587 . 1 1 78 78 ILE CD1 C 13 13.32 0 . 1 . . . . 78 ILE CD1 . 7312 1 588 . 1 1 78 78 ILE N N 15 115.168 0 . 1 . . . . 78 ILE N . 7312 1 589 . 1 1 79 79 PHE H H 1 7.232 0 . 1 . . . . 79 PHE H . 7312 1 590 . 1 1 79 79 PHE HA H 1 4.006 0 . 1 . . . . 79 PHE HA . 7312 1 591 . 1 1 79 79 PHE HB2 H 1 2.855 0 . 1 . . . . 79 PHE HB2 . 7312 1 592 . 1 1 79 79 PHE HB3 H 1 2.488 0 . 1 . . . . 79 PHE HB3 . 7312 1 593 . 1 1 79 79 PHE C C 13 176.823 0 . 1 . . . . 79 PHE C . 7312 1 594 . 1 1 79 79 PHE CA C 13 60.617 0 . 1 . . . . 79 PHE CA . 7312 1 595 . 1 1 79 79 PHE CB C 13 41.567 0 . 1 . . . . 79 PHE CB . 7312 1 596 . 1 1 79 79 PHE N N 15 121.804 0 . 1 . . . . 79 PHE N . 7312 1 597 . 1 1 80 80 HIS H H 1 7.753 0 . 1 . . . . 80 HIS H . 7312 1 598 . 1 1 80 80 HIS HA H 1 4.861 0 . 1 . . . . 80 HIS HA . 7312 1 599 . 1 1 80 80 HIS HB2 H 1 2.765 0 . 1 . . . . 80 HIS HB2 . 7312 1 600 . 1 1 80 80 HIS C C 13 177.309 0 . 1 . . . . 80 HIS C . 7312 1 601 . 1 1 80 80 HIS CA C 13 57.525 0 . 1 . . . . 80 HIS CA . 7312 1 602 . 1 1 80 80 HIS CB C 13 31.404 0 . 1 . . . . 80 HIS CB . 7312 1 603 . 1 1 80 80 HIS N N 15 122.418 0 . 1 . . . . 80 HIS N . 7312 1 604 . 1 1 81 81 LEU H H 1 8.284 0 . 1 . . . . 81 LEU H . 7312 1 605 . 1 1 81 81 LEU HA H 1 3.565 0 . 1 . . . . 81 LEU HA . 7312 1 606 . 1 1 81 81 LEU HB2 H 1 1.591 0 . 1 . . . . 81 LEU HB2 . 7312 1 607 . 1 1 81 81 LEU HB3 H 1 1.29 0 . 1 . . . . 81 LEU HB3 . 7312 1 608 . 1 1 81 81 LEU HG H 1 0.804 0 . 1 . . . . 81 LEU HG . 7312 1 609 . 1 1 81 81 LEU C C 13 178.781 0 . 1 . . . . 81 LEU C . 7312 1 610 . 1 1 81 81 LEU CA C 13 57.504 0 . 1 . . . . 81 LEU CA . 7312 1 611 . 1 1 81 81 LEU CB C 13 41.693 0 . 1 . . . . 81 LEU CB . 7312 1 612 . 1 1 81 81 LEU CG C 13 26.2 0 . 1 . . . . 81 LEU CG . 7312 1 613 . 1 1 81 81 LEU N N 15 116.949 0 . 1 . . . . 81 LEU N . 7312 1 614 . 1 1 82 82 GLU H H 1 6.769 0 . 1 . . . . 82 GLU H . 7312 1 615 . 1 1 82 82 GLU HA H 1 3.915 0 . 1 . . . . 82 GLU HA . 7312 1 616 . 1 1 82 82 GLU C C 13 178.809 0 . 1 . . . . 82 GLU C . 7312 1 617 . 1 1 82 82 GLU CA C 13 56.959 0 . 1 . . . . 82 GLU CA . 7312 1 618 . 1 1 82 82 GLU CB C 13 28.008 0 . 1 . . . . 82 GLU CB . 7312 1 619 . 1 1 82 82 GLU N N 15 116.569 0 . 1 . . . . 82 GLU N . 7312 1 620 . 1 1 83 83 VAL H H 1 6.868 0 . 1 . . . . 83 VAL H . 7312 1 621 . 1 1 83 83 VAL HA H 1 2.982 0 . 1 . . . . 83 VAL HA . 7312 1 622 . 1 1 83 83 VAL HB H 1 1.686 0 . 1 . . . . 83 VAL HB . 7312 1 623 . 1 1 83 83 VAL HG11 H 1 0.318 0 . 2 . . . . 83 VAL HG1 . 7312 1 624 . 1 1 83 83 VAL HG12 H 1 0.318 0 . 2 . . . . 83 VAL HG1 . 7312 1 625 . 1 1 83 83 VAL HG13 H 1 0.318 0 . 2 . . . . 83 VAL HG1 . 7312 1 626 . 1 1 83 83 VAL HG21 H 1 0.179 0 . 2 . . . . 83 VAL HG2 . 7312 1 627 . 1 1 83 83 VAL HG22 H 1 0.179 0 . 2 . . . . 83 VAL HG2 . 7312 1 628 . 1 1 83 83 VAL HG23 H 1 0.179 0 . 2 . . . . 83 VAL HG2 . 7312 1 629 . 1 1 83 83 VAL C C 13 174.786 0 . 1 . . . . 83 VAL C . 7312 1 630 . 1 1 83 83 VAL CA C 13 63.786 0 . 1 . . . . 83 VAL CA . 7312 1 631 . 1 1 83 83 VAL CB C 13 30.701 0 . 1 . . . . 83 VAL CB . 7312 1 632 . 1 1 83 83 VAL CG1 C 13 21.727 0 . 1 . . . . 83 VAL CG1 . 7312 1 633 . 1 1 83 83 VAL CG2 C 13 20.811 0 . 1 . . . . 83 VAL CG2 . 7312 1 634 . 1 1 83 83 VAL N N 15 118.339 0 . 1 . . . . 83 VAL N . 7312 1 635 . 1 1 84 84 CYS H H 1 6.971 0 . 1 . . . . 84 CYS H . 7312 1 636 . 1 1 84 84 CYS HA H 1 4.461 0 . 1 . . . . 84 CYS HA . 7312 1 637 . 1 1 84 84 CYS HB2 H 1 3.116 0 . 1 . . . . 84 CYS HB2 . 7312 1 638 . 1 1 84 84 CYS C C 13 173.9 0 . 1 . . . . 84 CYS C . 7312 1 639 . 1 1 84 84 CYS CA C 13 58.897 0 . 1 . . . . 84 CYS CA . 7312 1 640 . 1 1 84 84 CYS CB C 13 46.077 0 . 1 . . . . 84 CYS CB . 7312 1 641 . 1 1 84 84 CYS N N 15 115.29 0 . 1 . . . . 84 CYS N . 7312 1 642 . 1 1 85 85 SER H H 1 7.571 0 . 1 . . . . 85 SER H . 7312 1 643 . 1 1 85 85 SER HA H 1 4.673 0 . 1 . . . . 85 SER HA . 7312 1 644 . 1 1 85 85 SER HB2 H 1 3.902 0 . 1 . . . . 85 SER HB2 . 7312 1 645 . 1 1 85 85 SER HB3 H 1 4.117 0 . 1 . . . . 85 SER HB3 . 7312 1 646 . 1 1 85 85 SER C C 13 174.569 0 . 1 . . . . 85 SER C . 7312 1 647 . 1 1 85 85 SER CA C 13 56.598 0 . 1 . . . . 85 SER CA . 7312 1 648 . 1 1 85 85 SER CB C 13 66.687 0 . 1 . . . . 85 SER CB . 7312 1 649 . 1 1 85 85 SER N N 15 114.887 0 . 1 . . . . 85 SER N . 7312 1 650 . 1 1 86 86 ARG H H 1 8.918 0 . 1 . . . . 86 ARG H . 7312 1 651 . 1 1 86 86 ARG HA H 1 4.036 0 . 1 . . . . 86 ARG HA . 7312 1 652 . 1 1 86 86 ARG HB2 H 1 1.831 0 . 1 . . . . 86 ARG HB2 . 7312 1 653 . 1 1 86 86 ARG C C 13 178.763 0 . 1 . . . . 86 ARG C . 7312 1 654 . 1 1 86 86 ARG CA C 13 58.774 0 . 1 . . . . 86 ARG CA . 7312 1 655 . 1 1 86 86 ARG CB C 13 29.211 0 . 1 . . . . 86 ARG CB . 7312 1 656 . 1 1 86 86 ARG N N 15 123.17 0 . 1 . . . . 86 ARG N . 7312 1 657 . 1 1 87 87 ASP H H 1 8.331 0 . 1 . . . . 87 ASP H . 7312 1 658 . 1 1 87 87 ASP HA H 1 4.367 0 . 1 . . . . 87 ASP HA . 7312 1 659 . 1 1 87 87 ASP HB2 H 1 2.55 0 . 1 . . . . 87 ASP HB2 . 7312 1 660 . 1 1 87 87 ASP CA C 13 57.202 0 . 1 . . . . 87 ASP CA . 7312 1 661 . 1 1 87 87 ASP CB C 13 39.732 0 . 1 . . . . 87 ASP CB . 7312 1 662 . 1 1 87 87 ASP N N 15 118.96 0 . 1 . . . . 87 ASP N . 7312 1 663 . 1 1 88 88 PHE H H 1 7.681 0 . 1 . . . . 88 PHE H . 7312 1 664 . 1 1 88 88 PHE HA H 1 4.465 0 . 1 . . . . 88 PHE HA . 7312 1 665 . 1 1 88 88 PHE HB2 H 1 3.357 0 . 1 . . . . 88 PHE HB2 . 7312 1 666 . 1 1 88 88 PHE HB3 H 1 3.075 0 . 1 . . . . 88 PHE HB3 . 7312 1 667 . 1 1 88 88 PHE C C 13 177.08 0 . 1 . . . . 88 PHE C . 7312 1 668 . 1 1 88 88 PHE CA C 13 61.329 0 . 1 . . . . 88 PHE CA . 7312 1 669 . 1 1 88 88 PHE CB C 13 39.297 0 . 1 . . . . 88 PHE CB . 7312 1 670 . 1 1 88 88 PHE N N 15 121.892 0 . 1 . . . . 88 PHE N . 7312 1 671 . 1 1 89 89 ALA H H 1 7.877 0 . 1 . . . . 89 ALA H . 7312 1 672 . 1 1 89 89 ALA HA H 1 3.881 0 . 1 . . . . 89 ALA HA . 7312 1 673 . 1 1 89 89 ALA HB1 H 1 1.574 0 . 2 . . . . 89 ALA HB . 7312 1 674 . 1 1 89 89 ALA HB2 H 1 1.574 0 . 2 . . . . 89 ALA HB . 7312 1 675 . 1 1 89 89 ALA HB3 H 1 1.574 0 . 2 . . . . 89 ALA HB . 7312 1 676 . 1 1 89 89 ALA C C 13 180.49 0 . 1 . . . . 89 ALA C . 7312 1 677 . 1 1 89 89 ALA CA C 13 55.573 0 . 1 . . . . 89 ALA CA . 7312 1 678 . 1 1 89 89 ALA CB C 13 17.83 0 . 1 . . . . 89 ALA CB . 7312 1 679 . 1 1 89 89 ALA N N 15 121.381 0 . 1 . . . . 89 ALA N . 7312 1 680 . 1 1 90 90 SER H H 1 8.057 0 . 1 . . . . 90 SER H . 7312 1 681 . 1 1 90 90 SER HA H 1 4.009 0 . 1 . . . . 90 SER HA . 7312 1 682 . 1 1 90 90 SER C C 13 177.06 0 . 1 . . . . 90 SER C . 7312 1 683 . 1 1 90 90 SER CA C 13 61.391 0 . 1 . . . . 90 SER CA . 7312 1 684 . 1 1 90 90 SER CB C 13 62.435 0 . 1 . . . . 90 SER CB . 7312 1 685 . 1 1 90 90 SER N N 15 114.053 0 . 1 . . . . 90 SER N . 7312 1 686 . 1 1 91 91 GLU H H 1 7.566 0 . 1 . . . . 91 GLU H . 7312 1 687 . 1 1 91 91 GLU C C 13 179.613 0 . 1 . . . . 91 GLU C . 7312 1 688 . 1 1 91 91 GLU CA C 13 58.685 0 . 1 . . . . 91 GLU CA . 7312 1 689 . 1 1 91 91 GLU CB C 13 28.968 0 . 1 . . . . 91 GLU CB . 7312 1 690 . 1 1 91 91 GLU N N 15 123.174 0 . 1 . . . . 91 GLU N . 7312 1 691 . 1 1 92 92 VAL H H 1 8.357 0 . 1 . . . . 92 VAL H . 7312 1 692 . 1 1 92 92 VAL HA H 1 3.17 0 . 1 . . . . 92 VAL HA . 7312 1 693 . 1 1 92 92 VAL HB H 1 1.857 0 . 1 . . . . 92 VAL HB . 7312 1 694 . 1 1 92 92 VAL HG11 H 1 0.701 0 . 2 . . . . 92 VAL HG1 . 7312 1 695 . 1 1 92 92 VAL HG12 H 1 0.701 0 . 2 . . . . 92 VAL HG1 . 7312 1 696 . 1 1 92 92 VAL HG13 H 1 0.701 0 . 2 . . . . 92 VAL HG1 . 7312 1 697 . 1 1 92 92 VAL HG21 H 1 0.396 0 . 2 . . . . 92 VAL HG2 . 7312 1 698 . 1 1 92 92 VAL HG22 H 1 0.396 0 . 2 . . . . 92 VAL HG2 . 7312 1 699 . 1 1 92 92 VAL HG23 H 1 0.396 0 . 2 . . . . 92 VAL HG2 . 7312 1 700 . 1 1 92 92 VAL C C 13 177.403 0 . 1 . . . . 92 VAL C . 7312 1 701 . 1 1 92 92 VAL CA C 13 66.494 0 . 1 . . . . 92 VAL CA . 7312 1 702 . 1 1 92 92 VAL CB C 13 30.94 0 . 1 . . . . 92 VAL CB . 7312 1 703 . 1 1 92 92 VAL CG1 C 13 23.792 0 . 1 . . . . 92 VAL CG1 . 7312 1 704 . 1 1 92 92 VAL CG2 C 13 21.225 0 . 1 . . . . 92 VAL CG2 . 7312 1 705 . 1 1 92 92 VAL N N 15 120.325 0 . 1 . . . . 92 VAL N . 7312 1 706 . 1 1 93 93 SER H H 1 7.811 0 . 1 . . . . 93 SER H . 7312 1 707 . 1 1 93 93 SER HA H 1 3.896 0 . 1 . . . . 93 SER HA . 7312 1 708 . 1 1 93 93 SER C C 13 177.407 0 . 1 . . . . 93 SER C . 7312 1 709 . 1 1 93 93 SER CA C 13 61.999 0 . 1 . . . . 93 SER CA . 7312 1 710 . 1 1 93 93 SER CB C 13 62.321 0 . 1 . . . . 93 SER CB . 7312 1 711 . 1 1 93 93 SER N N 15 114.786 0 . 1 . . . . 93 SER N . 7312 1 712 . 1 1 94 94 ASN H H 1 7.396 0 . 1 . . . . 94 ASN H . 7312 1 713 . 1 1 94 94 ASN HA H 1 4.498 0 . 1 . . . . 94 ASN HA . 7312 1 714 . 1 1 94 94 ASN HB2 H 1 2.789 0 . 1 . . . . 94 ASN HB2 . 7312 1 715 . 1 1 94 94 ASN CA C 13 56.501 0 . 1 . . . . 94 ASN CA . 7312 1 716 . 1 1 94 94 ASN CB C 13 38.336 0 . 1 . . . . 94 ASN CB . 7312 1 717 . 1 1 94 94 ASN N N 15 118.861 0 . 1 . . . . 94 ASN N . 7312 1 718 . 1 1 95 95 VAL H H 1 7.742 0 . 1 . . . . 95 VAL H . 7312 1 719 . 1 1 95 95 VAL HA H 1 3.6 0 . 1 . . . . 95 VAL HA . 7312 1 720 . 1 1 95 95 VAL HB H 1 1.98 0 . 1 . . . . 95 VAL HB . 7312 1 721 . 1 1 95 95 VAL HG11 H 1 0.894 0 . 2 . . . . 95 VAL HG1 . 7312 1 722 . 1 1 95 95 VAL HG12 H 1 0.894 0 . 2 . . . . 95 VAL HG1 . 7312 1 723 . 1 1 95 95 VAL HG13 H 1 0.894 0 . 2 . . . . 95 VAL HG1 . 7312 1 724 . 1 1 95 95 VAL HG21 H 1 0.788 0 . 2 . . . . 95 VAL HG2 . 7312 1 725 . 1 1 95 95 VAL HG22 H 1 0.788 0 . 2 . . . . 95 VAL HG2 . 7312 1 726 . 1 1 95 95 VAL HG23 H 1 0.788 0 . 2 . . . . 95 VAL HG2 . 7312 1 727 . 1 1 95 95 VAL C C 13 178.352 0 . 1 . . . . 95 VAL C . 7312 1 728 . 1 1 95 95 VAL CA C 13 65.893 0 . 1 . . . . 95 VAL CA . 7312 1 729 . 1 1 95 95 VAL CB C 13 31.203 0 . 1 . . . . 95 VAL CB . 7312 1 730 . 1 1 95 95 VAL CG1 C 13 22.423 0 . 1 . . . . 95 VAL CG1 . 7312 1 731 . 1 1 95 95 VAL CG2 C 13 21.155 0 . 1 . . . . 95 VAL CG2 . 7312 1 732 . 1 1 95 95 VAL N N 15 121.647 0 . 1 . . . . 95 VAL N . 7312 1 733 . 1 1 96 96 LEU H H 1 8.334 0 . 1 . . . . 96 LEU H . 7312 1 734 . 1 1 96 96 LEU HA H 1 4.405 0 . 1 . . . . 96 LEU HA . 7312 1 735 . 1 1 96 96 LEU HB2 H 1 1.769 0 . 1 . . . . 96 LEU HB2 . 7312 1 736 . 1 1 96 96 LEU HB3 H 1 1.351 0 . 1 . . . . 96 LEU HB3 . 7312 1 737 . 1 1 96 96 LEU HG H 1 0.734 0 . 1 . . . . 96 LEU HG . 7312 1 738 . 1 1 96 96 LEU C C 13 179.179 0 . 1 . . . . 96 LEU C . 7312 1 739 . 1 1 96 96 LEU CA C 13 57.041 0 . 1 . . . . 96 LEU CA . 7312 1 740 . 1 1 96 96 LEU CB C 13 40.123 0 . 1 . . . . 96 LEU CB . 7312 1 741 . 1 1 96 96 LEU CG C 13 26.014 0 . 1 . . . . 96 LEU CG . 7312 1 742 . 1 1 96 96 LEU N N 15 118.249 0 . 1 . . . . 96 LEU N . 7312 1 743 . 1 1 97 97 ASN H H 1 7.612 0 . 1 . . . . 97 ASN H . 7312 1 744 . 1 1 97 97 ASN HA H 1 4.566 0 . 1 . . . . 97 ASN HA . 7312 1 745 . 1 1 97 97 ASN HB2 H 1 2.782 0 . 1 . . . . 97 ASN HB2 . 7312 1 746 . 1 1 97 97 ASN C C 13 176.451 0 . 1 . . . . 97 ASN C . 7312 1 747 . 1 1 97 97 ASN CA C 13 54.891 0 . 1 . . . . 97 ASN CA . 7312 1 748 . 1 1 97 97 ASN CB C 13 39.339 0 . 1 . . . . 97 ASN CB . 7312 1 749 . 1 1 97 97 ASN N N 15 115.817 0 . 1 . . . . 97 ASN N . 7312 1 750 . 1 1 98 98 LYS H H 1 7.594 0 . 1 . . . . 98 LYS H . 7312 1 751 . 1 1 98 98 LYS HA H 1 4.484 0 . 1 . . . . 98 LYS HA . 7312 1 752 . 1 1 98 98 LYS HB2 H 1 1.82 0 . 1 . . . . 98 LYS HB2 . 7312 1 753 . 1 1 98 98 LYS C C 13 177.699 0 . 1 . . . . 98 LYS C . 7312 1 754 . 1 1 98 98 LYS CA C 13 56.389 0 . 1 . . . . 98 LYS CA . 7312 1 755 . 1 1 98 98 LYS CB C 13 33.839 0 . 1 . . . . 98 LYS CB . 7312 1 756 . 1 1 98 98 LYS CG C 13 24.33 0 . 1 . . . . 98 LYS CG . 7312 1 757 . 1 1 98 98 LYS CD C 13 28.481 0 . 1 . . . . 98 LYS CD . 7312 1 758 . 1 1 98 98 LYS N N 15 117.416 0 . 1 . . . . 98 LYS N . 7312 1 759 . 1 1 99 99 GLY H H 1 8.515 0 . 1 . . . . 99 GLY H . 7312 1 760 . 1 1 99 99 GLY HA2 H 1 4.108 0 . 1 . . . . 99 GLY HA2 . 7312 1 761 . 1 1 99 99 GLY C C 13 173.378 0 . 1 . . . . 99 GLY C . 7312 1 762 . 1 1 99 99 GLY CA C 13 45.123 0 . 1 . . . . 99 GLY CA . 7312 1 763 . 1 1 99 99 GLY N N 15 109.978 0 . 1 . . . . 99 GLY N . 7312 1 764 . 1 1 100 100 HIS H H 1 9.18 0 . 1 . . . . 100 HIS H . 7312 1 765 . 1 1 100 100 HIS HA H 1 4.607 0 . 1 . . . . 100 HIS HA . 7312 1 766 . 1 1 100 100 HIS HB2 H 1 3.337 0 . 1 . . . . 100 HIS HB2 . 7312 1 767 . 1 1 100 100 HIS C C 13 175.87 0 . 1 . . . . 100 HIS C . 7312 1 768 . 1 1 100 100 HIS CA C 13 56.139 0 . 1 . . . . 100 HIS CA . 7312 1 769 . 1 1 100 100 HIS CB C 13 31.39 0 . 1 . . . . 100 HIS CB . 7312 1 770 . 1 1 100 100 HIS N N 15 124.19 0 . 1 . . . . 100 HIS N . 7312 1 771 . 1 1 101 101 PRO HA H 1 4.218 0 . 1 . . . . 101 PRO HA . 7312 1 772 . 1 1 101 101 PRO HB2 H 1 2.323 0 . 1 . . . . 101 PRO HB2 . 7312 1 773 . 1 1 101 101 PRO HG2 H 1 1.893 0 . 1 . . . . 101 PRO HG2 . 7312 1 774 . 1 1 101 101 PRO C C 13 179.638 0 . 1 . . . . 101 PRO C . 7312 1 775 . 1 1 101 101 PRO CA C 13 66.264 0 . 1 . . . . 101 PRO CA . 7312 1 776 . 1 1 101 101 PRO CB C 13 31.998 0 . 1 . . . . 101 PRO CB . 7312 1 777 . 1 1 101 101 PRO CG C 13 27.048 0 . 1 . . . . 101 PRO CG . 7312 1 778 . 1 1 101 101 PRO CD C 13 50.151 0 . 1 . . . . 101 PRO CD . 7312 1 779 . 1 1 102 102 LYS H H 1 10.362 0 . 1 . . . . 102 LYS H . 7312 1 780 . 1 1 102 102 LYS HA H 1 4.192 0 . 1 . . . . 102 LYS HA . 7312 1 781 . 1 1 102 102 LYS HB2 H 1 1.974 0 . 1 . . . . 102 LYS HB2 . 7312 1 782 . 1 1 102 102 LYS C C 13 179.818 0 . 1 . . . . 102 LYS C . 7312 1 783 . 1 1 102 102 LYS CA C 13 58.932 0 . 1 . . . . 102 LYS CA . 7312 1 784 . 1 1 102 102 LYS CB C 13 31.844 0 . 1 . . . . 102 LYS CB . 7312 1 785 . 1 1 102 102 LYS CG C 13 26.847 0 . 1 . . . . 102 LYS CG . 7312 1 786 . 1 1 102 102 LYS CD C 13 29.831 0 . 1 . . . . 102 LYS CD . 7312 1 787 . 1 1 102 102 LYS CE C 13 42.96 0 . 1 . . . . 102 LYS CE . 7312 1 788 . 1 1 102 102 LYS N N 15 120.583 0 . 1 . . . . 102 LYS N . 7312 1 789 . 1 1 103 103 VAL H H 1 7.365 0 . 1 . . . . 103 VAL H . 7312 1 790 . 1 1 103 103 VAL HA H 1 3.704 0 . 1 . . . . 103 VAL HA . 7312 1 791 . 1 1 103 103 VAL HB H 1 2.526 0 . 1 . . . . 103 VAL HB . 7312 1 792 . 1 1 103 103 VAL HG11 H 1 1.112 0 . 2 . . . . 103 VAL HG1 . 7312 1 793 . 1 1 103 103 VAL HG12 H 1 1.112 0 . 2 . . . . 103 VAL HG1 . 7312 1 794 . 1 1 103 103 VAL HG13 H 1 1.112 0 . 2 . . . . 103 VAL HG1 . 7312 1 795 . 1 1 103 103 VAL HG21 H 1 0.932 0 . 2 . . . . 103 VAL HG2 . 7312 1 796 . 1 1 103 103 VAL HG22 H 1 0.932 0 . 2 . . . . 103 VAL HG2 . 7312 1 797 . 1 1 103 103 VAL HG23 H 1 0.932 0 . 2 . . . . 103 VAL HG2 . 7312 1 798 . 1 1 103 103 VAL C C 13 177.699 0 . 1 . . . . 103 VAL C . 7312 1 799 . 1 1 103 103 VAL CA C 13 65.227 0 . 1 . . . . 103 VAL CA . 7312 1 800 . 1 1 103 103 VAL CB C 13 32.031 0 . 1 . . . . 103 VAL CB . 7312 1 801 . 1 1 103 103 VAL CG1 C 13 23.23 0 . 1 . . . . 103 VAL CG1 . 7312 1 802 . 1 1 103 103 VAL CG2 C 13 20.345 0 . 1 . . . . 103 VAL CG2 . 7312 1 803 . 1 1 103 103 VAL N N 15 123.685 0 . 1 . . . . 103 VAL N . 7312 1 804 . 1 1 104 104 CYS H H 1 8.173 0 . 1 . . . . 104 CYS H . 7312 1 805 . 1 1 104 104 CYS HA H 1 3.755 0 . 1 . . . . 104 CYS HA . 7312 1 806 . 1 1 104 104 CYS HB2 H 1 2.996 0 . 1 . . . . 104 CYS HB2 . 7312 1 807 . 1 1 104 104 CYS HB3 H 1 2.697 0 . 1 . . . . 104 CYS HB3 . 7312 1 808 . 1 1 104 104 CYS C C 13 176.595 0 . 1 . . . . 104 CYS C . 7312 1 809 . 1 1 104 104 CYS CA C 13 63.557 0 . 1 . . . . 104 CYS CA . 7312 1 810 . 1 1 104 104 CYS CB C 13 26.569 0 . 1 . . . . 104 CYS CB . 7312 1 811 . 1 1 104 104 CYS N N 15 118.004 0 . 1 . . . . 104 CYS N . 7312 1 812 . 1 1 105 105 GLU H H 1 8.008 0 . 1 . . . . 105 GLU H . 7312 1 813 . 1 1 105 105 GLU HA H 1 3.85 0 . 1 . . . . 105 GLU HA . 7312 1 814 . 1 1 105 105 GLU HB2 H 1 2.022 0 . 1 . . . . 105 GLU HB2 . 7312 1 815 . 1 1 105 105 GLU HG2 H 1 2.207 0 . 1 . . . . 105 GLU HG2 . 7312 1 816 . 1 1 105 105 GLU C C 13 178.826 0 . 1 . . . . 105 GLU C . 7312 1 817 . 1 1 105 105 GLU CA C 13 59.118 0 . 1 . . . . 105 GLU CA . 7312 1 818 . 1 1 105 105 GLU CB C 13 29.448 0 . 1 . . . . 105 GLU CB . 7312 1 819 . 1 1 105 105 GLU CG C 13 35.751 0 . 1 . . . . 105 GLU CG . 7312 1 820 . 1 1 105 105 GLU N N 15 118.335 0 . 1 . . . . 105 GLU N . 7312 1 821 . 1 1 106 106 LYS H H 1 7.448 0 . 1 . . . . 106 LYS H . 7312 1 822 . 1 1 106 106 LYS HA H 1 4.18 0 . 1 . . . . 106 LYS HA . 7312 1 823 . 1 1 106 106 LYS HB2 H 1 1.954 0 . 1 . . . . 106 LYS HB2 . 7312 1 824 . 1 1 106 106 LYS C C 13 177.444 0 . 1 . . . . 106 LYS C . 7312 1 825 . 1 1 106 106 LYS CA C 13 58.125 0 . 1 . . . . 106 LYS CA . 7312 1 826 . 1 1 106 106 LYS CB C 13 30.664 0 . 1 . . . . 106 LYS CB . 7312 1 827 . 1 1 106 106 LYS N N 15 121.485 0 . 1 . . . . 106 LYS N . 7312 1 828 . 1 1 107 107 LEU H H 1 8.33 0 . 1 . . . . 107 LEU H . 7312 1 829 . 1 1 107 107 LEU HA H 1 3.879 0 . 1 . . . . 107 LEU HA . 7312 1 830 . 1 1 107 107 LEU C C 13 178.09 0 . 1 . . . . 107 LEU C . 7312 1 831 . 1 1 107 107 LEU CA C 13 58.04 0 . 1 . . . . 107 LEU CA . 7312 1 832 . 1 1 107 107 LEU CB C 13 40.716 0 . 1 . . . . 107 LEU CB . 7312 1 833 . 1 1 107 107 LEU N N 15 121.011 0 . 1 . . . . 107 LEU N . 7312 1 834 . 1 1 108 108 LYS H H 1 8.088 0 . 1 . . . . 108 LYS H . 7312 1 835 . 1 1 108 108 LYS HA H 1 3.731 0 . 1 . . . . 108 LYS HA . 7312 1 836 . 1 1 108 108 LYS HB2 H 1 1.737 0 . 1 . . . . 108 LYS HB2 . 7312 1 837 . 1 1 108 108 LYS C C 13 177.799 0 . 1 . . . . 108 LYS C . 7312 1 838 . 1 1 108 108 LYS CA C 13 60.503 0 . 1 . . . . 108 LYS CA . 7312 1 839 . 1 1 108 108 LYS CB C 13 31.479 0 . 1 . . . . 108 LYS CB . 7312 1 840 . 1 1 108 108 LYS CG C 13 25.965 0 . 1 . . . . 108 LYS CG . 7312 1 841 . 1 1 108 108 LYS N N 15 117.663 0 . 1 . . . . 108 LYS N . 7312 1 842 . 1 1 109 109 ALA H H 1 7.61 0 . 1 . . . . 109 ALA H . 7312 1 843 . 1 1 109 109 ALA HA H 1 3.93 0 . 1 . . . . 109 ALA HA . 7312 1 844 . 1 1 109 109 ALA HB1 H 1 1.43 0 . 2 . . . . 109 ALA HB . 7312 1 845 . 1 1 109 109 ALA HB2 H 1 1.43 0 . 2 . . . . 109 ALA HB . 7312 1 846 . 1 1 109 109 ALA HB3 H 1 1.43 0 . 2 . . . . 109 ALA HB . 7312 1 847 . 1 1 109 109 ALA C C 13 181.411 0 . 1 . . . . 109 ALA C . 7312 1 848 . 1 1 109 109 ALA CA C 13 54.943 0 . 1 . . . . 109 ALA CA . 7312 1 849 . 1 1 109 109 ALA CB C 13 17.539 0 . 1 . . . . 109 ALA CB . 7312 1 850 . 1 1 109 109 ALA N N 15 120.99 0 . 1 . . . . 109 ALA N . 7312 1 851 . 1 1 110 110 LEU H H 1 8.001 0 . 1 . . . . 110 LEU H . 7312 1 852 . 1 1 110 110 LEU HA H 1 3.472 0 . 1 . . . . 110 LEU HA . 7312 1 853 . 1 1 110 110 LEU HB2 H 1 1.481 0 . 1 . . . . 110 LEU HB2 . 7312 1 854 . 1 1 110 110 LEU C C 13 176.584 0 . 1 . . . . 110 LEU C . 7312 1 855 . 1 1 110 110 LEU CA C 13 57.02 0 . 1 . . . . 110 LEU CA . 7312 1 856 . 1 1 110 110 LEU CB C 13 40.493 0 . 1 . . . . 110 LEU CB . 7312 1 857 . 1 1 110 110 LEU N N 15 121.876 0 . 1 . . . . 110 LEU N . 7312 1 858 . 1 1 111 111 MET H H 1 7.4 0 . 1 . . . . 111 MET H . 7312 1 859 . 1 1 111 111 MET HA H 1 3.289 0 . 1 . . . . 111 MET HA . 7312 1 860 . 1 1 111 111 MET C C 13 178.891 0 . 1 . . . . 111 MET C . 7312 1 861 . 1 1 111 111 MET CA C 13 59.422 0 . 1 . . . . 111 MET CA . 7312 1 862 . 1 1 111 111 MET CB C 13 33.118 0 . 1 . . . . 111 MET CB . 7312 1 863 . 1 1 111 111 MET CG C 13 31.975 0 . 1 . . . . 111 MET CG . 7312 1 864 . 1 1 111 111 MET N N 15 115.325 0 . 1 . . . . 111 MET N . 7312 1 865 . 1 1 112 112 VAL H H 1 7.776 0 . 1 . . . . 112 VAL H . 7312 1 866 . 1 1 112 112 VAL HA H 1 3.39 0 . 1 . . . . 112 VAL HA . 7312 1 867 . 1 1 112 112 VAL HB H 1 2.041 0 . 1 . . . . 112 VAL HB . 7312 1 868 . 1 1 112 112 VAL HG11 H 1 0.975 0 . 2 . . . . 112 VAL HG1 . 7312 1 869 . 1 1 112 112 VAL HG12 H 1 0.975 0 . 2 . . . . 112 VAL HG1 . 7312 1 870 . 1 1 112 112 VAL HG13 H 1 0.975 0 . 2 . . . . 112 VAL HG1 . 7312 1 871 . 1 1 112 112 VAL HG21 H 1 0.84 0 . 2 . . . . 112 VAL HG2 . 7312 1 872 . 1 1 112 112 VAL HG22 H 1 0.84 0 . 2 . . . . 112 VAL HG2 . 7312 1 873 . 1 1 112 112 VAL HG23 H 1 0.84 0 . 2 . . . . 112 VAL HG2 . 7312 1 874 . 1 1 112 112 VAL C C 13 179.069 0 . 1 . . . . 112 VAL C . 7312 1 875 . 1 1 112 112 VAL CA C 13 66.727 0 . 1 . . . . 112 VAL CA . 7312 1 876 . 1 1 112 112 VAL CB C 13 31.375 0 . 1 . . . . 112 VAL CB . 7312 1 877 . 1 1 112 112 VAL CG1 C 13 22.928 0 . 1 . . . . 112 VAL CG1 . 7312 1 878 . 1 1 112 112 VAL CG2 C 13 20.847 0 . 1 . . . . 112 VAL CG2 . 7312 1 879 . 1 1 112 112 VAL N N 15 120.337 0 . 1 . . . . 112 VAL N . 7312 1 880 . 1 1 113 113 GLU H H 1 7.429 0 . 1 . . . . 113 GLU H . 7312 1 881 . 1 1 113 113 GLU HA H 1 3.997 0 . 1 . . . . 113 GLU HA . 7312 1 882 . 1 1 113 113 GLU HB2 H 1 2.064 0 . 1 . . . . 113 GLU HB2 . 7312 1 883 . 1 1 113 113 GLU C C 13 180.189 0 . 1 . . . . 113 GLU C . 7312 1 884 . 1 1 113 113 GLU CA C 13 59.52 0 . 1 . . . . 113 GLU CA . 7312 1 885 . 1 1 113 113 GLU CB C 13 28.37 0 . 1 . . . . 113 GLU CB . 7312 1 886 . 1 1 113 113 GLU CG C 13 35.703 0 . 1 . . . . 113 GLU CG . 7312 1 887 . 1 1 113 113 GLU N N 15 123.31 0 . 1 . . . . 113 GLU N . 7312 1 888 . 1 1 114 114 TRP H H 1 8.645 0 . 1 . . . . 114 TRP H . 7312 1 889 . 1 1 114 114 TRP HA H 1 4.019 0 . 1 . . . . 114 TRP HA . 7312 1 890 . 1 1 114 114 TRP HB2 H 1 2.162 0 . 1 . . . . 114 TRP HB2 . 7312 1 891 . 1 1 114 114 TRP C C 13 177.672 0 . 1 . . . . 114 TRP C . 7312 1 892 . 1 1 114 114 TRP CA C 13 56.917 0 . 1 . . . . 114 TRP CA . 7312 1 893 . 1 1 114 114 TRP CB C 13 27.667 0 . 1 . . . . 114 TRP CB . 7312 1 894 . 1 1 114 114 TRP N N 15 121.565 0 . 1 . . . . 114 TRP N . 7312 1 895 . 1 1 115 115 THR H H 1 7.889 0 . 1 . . . . 115 THR H . 7312 1 896 . 1 1 115 115 THR HA H 1 4.219 0 . 1 . . . . 115 THR HA . 7312 1 897 . 1 1 115 115 THR HB H 1 3.748 0 . 1 . . . . 115 THR HB . 7312 1 898 . 1 1 115 115 THR C C 13 176.798 0 . 1 . . . . 115 THR C . 7312 1 899 . 1 1 115 115 THR CA C 13 66.718 0 . 1 . . . . 115 THR CA . 7312 1 900 . 1 1 115 115 THR CB C 13 68.37 0 . 1 . . . . 115 THR CB . 7312 1 901 . 1 1 115 115 THR N N 15 112.821 0 . 1 . . . . 115 THR N . 7312 1 902 . 1 1 116 116 ASP H H 1 7.139 0 . 1 . . . . 116 ASP H . 7312 1 903 . 1 1 116 116 ASP HA H 1 4.468 0 . 1 . . . . 116 ASP HA . 7312 1 904 . 1 1 116 116 ASP HB2 H 1 2.667 0 . 1 . . . . 116 ASP HB2 . 7312 1 905 . 1 1 116 116 ASP C C 13 177.891 0 . 1 . . . . 116 ASP C . 7312 1 906 . 1 1 116 116 ASP CA C 13 57.108 0 . 1 . . . . 116 ASP CA . 7312 1 907 . 1 1 116 116 ASP CB C 13 40.958 0 . 1 . . . . 116 ASP CB . 7312 1 908 . 1 1 116 116 ASP N N 15 120.685 0 . 1 . . . . 116 ASP N . 7312 1 909 . 1 1 117 117 GLU H H 1 7.586 0 . 1 . . . . 117 GLU H . 7312 1 910 . 1 1 117 117 GLU HA H 1 4.096 0 . 1 . . . . 117 GLU HA . 7312 1 911 . 1 1 117 117 GLU HB2 H 1 1.879 0 . 1 . . . . 117 GLU HB2 . 7312 1 912 . 1 1 117 117 GLU C C 13 179.113 0 . 1 . . . . 117 GLU C . 7312 1 913 . 1 1 117 117 GLU CA C 13 58.147 0 . 1 . . . . 117 GLU CA . 7312 1 914 . 1 1 117 117 GLU CB C 13 28.956 0 . 1 . . . . 117 GLU CB . 7312 1 915 . 1 1 117 117 GLU CG C 13 34.889 0 . 1 . . . . 117 GLU CG . 7312 1 916 . 1 1 117 117 GLU N N 15 119.969 0 . 1 . . . . 117 GLU N . 7312 1 917 . 1 1 118 118 PHE H H 1 8.376 0 . 1 . . . . 118 PHE H . 7312 1 918 . 1 1 118 118 PHE HA H 1 4.718 0 . 1 . . . . 118 PHE HA . 7312 1 919 . 1 1 118 118 PHE HB2 H 1 3.542 0 . 1 . . . . 118 PHE HB2 . 7312 1 920 . 1 1 118 118 PHE HB3 H 1 2.996 0 . 1 . . . . 118 PHE HB3 . 7312 1 921 . 1 1 118 118 PHE C C 13 177.74 0 . 1 . . . . 118 PHE C . 7312 1 922 . 1 1 118 118 PHE CA C 13 54.942 0 . 1 . . . . 118 PHE CA . 7312 1 923 . 1 1 118 118 PHE CB C 13 37.384 0 . 1 . . . . 118 PHE CB . 7312 1 924 . 1 1 118 118 PHE N N 15 118.267 0 . 1 . . . . 118 PHE N . 7312 1 925 . 1 1 119 119 LYS H H 1 7.134 0 . 1 . . . . 119 LYS H . 7312 1 926 . 1 1 119 119 LYS HA H 1 4.134 0 . 1 . . . . 119 LYS HA . 7312 1 927 . 1 1 119 119 LYS HB2 H 1 1.95 0 . 1 . . . . 119 LYS HB2 . 7312 1 928 . 1 1 119 119 LYS C C 13 176.423 0 . 1 . . . . 119 LYS C . 7312 1 929 . 1 1 119 119 LYS CA C 13 58.805 0 . 1 . . . . 119 LYS CA . 7312 1 930 . 1 1 119 119 LYS CB C 13 31.837 0 . 1 . . . . 119 LYS CB . 7312 1 931 . 1 1 119 119 LYS N N 15 117.571 0 . 1 . . . . 119 LYS N . 7312 1 932 . 1 1 120 120 ASN H H 1 8.324 0 . 1 . . . . 120 ASN H . 7312 1 933 . 1 1 120 120 ASN HA H 1 4.697 0 . 1 . . . . 120 ASN HA . 7312 1 934 . 1 1 120 120 ASN HB2 H 1 2.949 0 . 1 . . . . 120 ASN HB2 . 7312 1 935 . 1 1 120 120 ASN C C 13 176.442 0 . 1 . . . . 120 ASN C . 7312 1 936 . 1 1 120 120 ASN CA C 13 53.32 0 . 1 . . . . 120 ASN CA . 7312 1 937 . 1 1 120 120 ASN CB C 13 38.321 0 . 1 . . . . 120 ASN CB . 7312 1 938 . 1 1 120 120 ASN N N 15 116.978 0 . 1 . . . . 120 ASN N . 7312 1 939 . 1 1 121 121 ASP H H 1 7.717 0 . 1 . . . . 121 ASP H . 7312 1 940 . 1 1 121 121 ASP HA H 1 5.164 0 . 1 . . . . 121 ASP HA . 7312 1 941 . 1 1 121 121 ASP HB2 H 1 2.964 0 . 1 . . . . 121 ASP HB2 . 7312 1 942 . 1 1 121 121 ASP HB3 H 1 2.429 0 . 1 . . . . 121 ASP HB3 . 7312 1 943 . 1 1 121 121 ASP C C 13 175.446 0 . 1 . . . . 121 ASP C . 7312 1 944 . 1 1 121 121 ASP CA C 13 50.5 0 . 1 . . . . 121 ASP CA . 7312 1 945 . 1 1 121 121 ASP CB C 13 41.772 0 . 1 . . . . 121 ASP CB . 7312 1 946 . 1 1 121 121 ASP N N 15 121.232 0 . 1 . . . . 121 ASP N . 7312 1 947 . 1 1 122 122 PRO HA H 1 4.379 0 . 1 . . . . 122 PRO HA . 7312 1 948 . 1 1 122 122 PRO HB2 H 1 1.994 0 . 1 . . . . 122 PRO HB2 . 7312 1 949 . 1 1 122 122 PRO HB3 H 1 1.937 0 . 1 . . . . 122 PRO HB3 . 7312 1 950 . 1 1 122 122 PRO HG2 H 1 2.384 0 . 1 . . . . 122 PRO HG2 . 7312 1 951 . 1 1 122 122 PRO C C 13 178.693 0 . 1 . . . . 122 PRO C . 7312 1 952 . 1 1 122 122 PRO CA C 13 64.337 0 . 1 . . . . 122 PRO CA . 7312 1 953 . 1 1 122 122 PRO CB C 13 31.981 0 . 1 . . . . 122 PRO CB . 7312 1 954 . 1 1 122 122 PRO CG C 13 26.878 0 . 1 . . . . 122 PRO CG . 7312 1 955 . 1 1 122 122 PRO CD C 13 50.535 0 . 1 . . . . 122 PRO CD . 7312 1 956 . 1 1 123 123 GLN H H 1 8.387 0 . 1 . . . . 123 GLN H . 7312 1 957 . 1 1 123 123 GLN HA H 1 4.212 0 . 1 . . . . 123 GLN HA . 7312 1 958 . 1 1 123 123 GLN HB2 H 1 1.947 0 . 1 . . . . 123 GLN HB2 . 7312 1 959 . 1 1 123 123 GLN HG2 H 1 2.699 0 . 1 . . . . 123 GLN HG2 . 7312 1 960 . 1 1 123 123 GLN C C 13 177.169 0 . 1 . . . . 123 GLN C . 7312 1 961 . 1 1 123 123 GLN CA C 13 57.426 0 . 1 . . . . 123 GLN CA . 7312 1 962 . 1 1 123 123 GLN CB C 13 28.693 0 . 1 . . . . 123 GLN CB . 7312 1 963 . 1 1 123 123 GLN N N 15 116.036 0 . 1 . . . . 123 GLN N . 7312 1 964 . 1 1 124 124 LEU H H 1 7.87 0 . 1 . . . . 124 LEU H . 7312 1 965 . 1 1 124 124 LEU HA H 1 4.752 0 . 1 . . . . 124 LEU HA . 7312 1 966 . 1 1 124 124 LEU HB2 H 1 1.808 0 . 1 . . . . 124 LEU HB2 . 7312 1 967 . 1 1 124 124 LEU HG H 1 1.591 0 . 1 . . . . 124 LEU HG . 7312 1 968 . 1 1 124 124 LEU C C 13 176.786 0 . 1 . . . . 124 LEU C . 7312 1 969 . 1 1 124 124 LEU CA C 13 53.643 0 . 1 . . . . 124 LEU CA . 7312 1 970 . 1 1 124 124 LEU CB C 13 39.539 0 . 1 . . . . 124 LEU CB . 7312 1 971 . 1 1 124 124 LEU N N 15 120.2 0 . 1 . . . . 124 LEU N . 7312 1 972 . 1 1 125 125 SER H H 1 7.243 0 . 1 . . . . 125 SER H . 7312 1 973 . 1 1 125 125 SER HA H 1 4.395 0 . 1 . . . . 125 SER HA . 7312 1 974 . 1 1 125 125 SER HB2 H 1 3.936 0 . 1 . . . . 125 SER HB2 . 7312 1 975 . 1 1 125 125 SER C C 13 176.681 0 . 1 . . . . 125 SER C . 7312 1 976 . 1 1 125 125 SER CA C 13 60.547 0 . 1 . . . . 125 SER CA . 7312 1 977 . 1 1 125 125 SER CB C 13 63.638 0 . 1 . . . . 125 SER CB . 7312 1 978 . 1 1 125 125 SER N N 15 114.22 0 . 1 . . . . 125 SER N . 7312 1 979 . 1 1 126 126 LEU H H 1 8.204 0 . 1 . . . . 126 LEU H . 7312 1 980 . 1 1 126 126 LEU HA H 1 4.157 0 . 1 . . . . 126 LEU HA . 7312 1 981 . 1 1 126 126 LEU C C 13 178.498 0 . 1 . . . . 126 LEU C . 7312 1 982 . 1 1 126 126 LEU CA C 13 57.836 0 . 1 . . . . 126 LEU CA . 7312 1 983 . 1 1 126 126 LEU CB C 13 41.557 0 . 1 . . . . 126 LEU CB . 7312 1 984 . 1 1 126 126 LEU N N 15 124.01 0 . 1 . . . . 126 LEU N . 7312 1 985 . 1 1 127 127 ILE H H 1 6.98 0 . 1 . . . . 127 ILE H . 7312 1 986 . 1 1 127 127 ILE HA H 1 4.056 0 . 1 . . . . 127 ILE HA . 7312 1 987 . 1 1 127 127 ILE HB H 1 2.389 0 . 1 . . . . 127 ILE HB . 7312 1 988 . 1 1 127 127 ILE HG12 H 1 1.124 0 . 1 . . . . 127 ILE HG12 . 7312 1 989 . 1 1 127 127 ILE HD11 H 1 0.891 0 . 2 . . . . 127 ILE HD1 . 7312 1 990 . 1 1 127 127 ILE HD12 H 1 0.891 0 . 2 . . . . 127 ILE HD1 . 7312 1 991 . 1 1 127 127 ILE HD13 H 1 0.891 0 . 2 . . . . 127 ILE HD1 . 7312 1 992 . 1 1 127 127 ILE C C 13 177.411 0 . 1 . . . . 127 ILE C . 7312 1 993 . 1 1 127 127 ILE CA C 13 62.698 0 . 1 . . . . 127 ILE CA . 7312 1 994 . 1 1 127 127 ILE CB C 13 35.416 0 . 1 . . . . 127 ILE CB . 7312 1 995 . 1 1 127 127 ILE CG1 C 13 28.236 0 . 1 . . . . 127 ILE CG1 . 7312 1 996 . 1 1 127 127 ILE CG2 C 13 20.648 0 . 1 . . . . 127 ILE CG2 . 7312 1 997 . 1 1 127 127 ILE CD1 C 13 18.372 0 . 1 . . . . 127 ILE CD1 . 7312 1 998 . 1 1 127 127 ILE N N 15 116.742 0 . 1 . . . . 127 ILE N . 7312 1 999 . 1 1 128 128 SER H H 1 8.595 0 . 1 . . . . 128 SER H . 7312 1 1000 . 1 1 128 128 SER HA H 1 4.178 0 . 1 . . . . 128 SER HA . 7312 1 1001 . 1 1 128 128 SER HB2 H 1 3.97 0 . 1 . . . . 128 SER HB2 . 7312 1 1002 . 1 1 128 128 SER C C 13 176.658 0 . 1 . . . . 128 SER C . 7312 1 1003 . 1 1 128 128 SER CA C 13 61.228 0 . 1 . . . . 128 SER CA . 7312 1 1004 . 1 1 128 128 SER CB C 13 62.476 0 . 1 . . . . 128 SER CB . 7312 1 1005 . 1 1 128 128 SER N N 15 116.836 0 . 1 . . . . 128 SER N . 7312 1 1006 . 1 1 129 129 ALA H H 1 7.578 0 . 1 . . . . 129 ALA H . 7312 1 1007 . 1 1 129 129 ALA HA H 1 4.152 0 . 1 . . . . 129 ALA HA . 7312 1 1008 . 1 1 129 129 ALA HB1 H 1 1.453 0 . 2 . . . . 129 ALA HB . 7312 1 1009 . 1 1 129 129 ALA HB2 H 1 1.453 0 . 2 . . . . 129 ALA HB . 7312 1 1010 . 1 1 129 129 ALA HB3 H 1 1.453 0 . 2 . . . . 129 ALA HB . 7312 1 1011 . 1 1 129 129 ALA C C 13 179.848 0 . 1 . . . . 129 ALA C . 7312 1 1012 . 1 1 129 129 ALA CA C 13 54.505 0 . 1 . . . . 129 ALA CA . 7312 1 1013 . 1 1 129 129 ALA CB C 13 17.832 0 . 1 . . . . 129 ALA CB . 7312 1 1014 . 1 1 129 129 ALA N N 15 125.099 0 . 1 . . . . 129 ALA N . 7312 1 1015 . 1 1 130 130 MET H H 1 8.097 0 . 1 . . . . 130 MET H . 7312 1 1016 . 1 1 130 130 MET C C 13 178.792 0 . 1 . . . . 130 MET C . 7312 1 1017 . 1 1 130 130 MET CA C 13 58.844 0 . 1 . . . . 130 MET CA . 7312 1 1018 . 1 1 130 130 MET CB C 13 33.148 0 . 1 . . . . 130 MET CB . 7312 1 1019 . 1 1 130 130 MET N N 15 119.18 0 . 1 . . . . 130 MET N . 7312 1 1020 . 1 1 131 131 ILE H H 1 7.992 0 . 1 . . . . 131 ILE H . 7312 1 1021 . 1 1 131 131 ILE HA H 1 3.805 0 . 1 . . . . 131 ILE HA . 7312 1 1022 . 1 1 131 131 ILE HB H 1 1.995 0 . 1 . . . . 131 ILE HB . 7312 1 1023 . 1 1 131 131 ILE C C 13 177.899 0 . 1 . . . . 131 ILE C . 7312 1 1024 . 1 1 131 131 ILE CA C 13 62.574 0 . 1 . . . . 131 ILE CA . 7312 1 1025 . 1 1 131 131 ILE CB C 13 37.149 0 . 1 . . . . 131 ILE CB . 7312 1 1026 . 1 1 131 131 ILE N N 15 118.108 0 . 1 . . . . 131 ILE N . 7312 1 1027 . 1 1 132 132 LYS H H 1 7.703 0 . 1 . . . . 132 LYS H . 7312 1 1028 . 1 1 132 132 LYS HA H 1 3.964 0 . 1 . . . . 132 LYS HA . 7312 1 1029 . 1 1 132 132 LYS HB2 H 1 1.825 0 . 1 . . . . 132 LYS HB2 . 7312 1 1030 . 1 1 132 132 LYS C C 13 177.845 0 . 1 . . . . 132 LYS C . 7312 1 1031 . 1 1 132 132 LYS CA C 13 58.735 0 . 1 . . . . 132 LYS CA . 7312 1 1032 . 1 1 132 132 LYS CB C 13 35.558 0 . 1 . . . . 132 LYS CB . 7312 1 1033 . 1 1 132 132 LYS N N 15 122.289 0 . 1 . . . . 132 LYS N . 7312 1 1034 . 1 1 133 133 ASN H H 1 7.778 0 . 1 . . . . 133 ASN H . 7312 1 1035 . 1 1 133 133 ASN HA H 1 4.498 0 . 1 . . . . 133 ASN HA . 7312 1 1036 . 1 1 133 133 ASN HB2 H 1 2.789 0 . 1 . . . . 133 ASN HB2 . 7312 1 1037 . 1 1 133 133 ASN C C 13 176.399 0 . 1 . . . . 133 ASN C . 7312 1 1038 . 1 1 133 133 ASN CA C 13 54.409 0 . 1 . . . . 133 ASN CA . 7312 1 1039 . 1 1 133 133 ASN CB C 13 38.45 0 . 1 . . . . 133 ASN CB . 7312 1 1040 . 1 1 133 133 ASN N N 15 116.985 0 . 1 . . . . 133 ASN N . 7312 1 1041 . 1 1 134 134 LEU H H 1 7.747 0 . 1 . . . . 134 LEU H . 7312 1 1042 . 1 1 134 134 LEU HA H 1 4.149 0 . 1 . . . . 134 LEU HA . 7312 1 1043 . 1 1 134 134 LEU HB2 H 1 1.761 0 . 1 . . . . 134 LEU HB2 . 7312 1 1044 . 1 1 134 134 LEU HB3 H 1 1.379 0 . 1 . . . . 134 LEU HB3 . 7312 1 1045 . 1 1 134 134 LEU C C 13 178.065 0 . 1 . . . . 134 LEU C . 7312 1 1046 . 1 1 134 134 LEU CA C 13 56.259 0 . 1 . . . . 134 LEU CA . 7312 1 1047 . 1 1 134 134 LEU N N 15 121.17 0 . 1 . . . . 134 LEU N . 7312 1 1048 . 1 1 135 135 LYS H H 1 7.901 0 . 1 . . . . 135 LYS H . 7312 1 1049 . 1 1 135 135 LYS HA H 1 4.151 0 . 1 . . . . 135 LYS HA . 7312 1 1050 . 1 1 135 135 LYS C C 13 177.12 0 . 1 . . . . 135 LYS C . 7312 1 1051 . 1 1 135 135 LYS CA C 13 56.952 0 . 1 . . . . 135 LYS CA . 7312 1 1052 . 1 1 135 135 LYS CB C 13 32.366 0 . 1 . . . . 135 LYS CB . 7312 1 1053 . 1 1 135 135 LYS N N 15 120.523 0 . 1 . . . . 135 LYS N . 7312 1 1054 . 1 1 136 136 GLU H H 1 8.048 0 . 1 . . . . 136 GLU H . 7312 1 1055 . 1 1 136 136 GLU HA H 1 4.201 0 . 1 . . . . 136 GLU HA . 7312 1 1056 . 1 1 136 136 GLU HB2 H 1 1.928 0 . 1 . . . . 136 GLU HB2 . 7312 1 1057 . 1 1 136 136 GLU C C 13 176.954 0 . 1 . . . . 136 GLU C . 7312 1 1058 . 1 1 136 136 GLU CA C 13 56.807 0 . 1 . . . . 136 GLU CA . 7312 1 1059 . 1 1 136 136 GLU CB C 13 29.64 0 . 1 . . . . 136 GLU CB . 7312 1 1060 . 1 1 136 136 GLU N N 15 121.353 0 . 1 . . . . 136 GLU N . 7312 1 1061 . 1 1 137 137 GLN H H 1 8.059 0 . 1 . . . . 137 GLN H . 7312 1 1062 . 1 1 137 137 GLN HA H 1 4.254 0 . 1 . . . . 137 GLN HA . 7312 1 1063 . 1 1 137 137 GLN HB2 H 1 2.01 0 . 1 . . . . 137 GLN HB2 . 7312 1 1064 . 1 1 137 137 GLN C C 13 175.514 0 . 1 . . . . 137 GLN C . 7312 1 1065 . 1 1 137 137 GLN CA C 13 55.857 0 . 1 . . . . 137 GLN CA . 7312 1 1066 . 1 1 137 137 GLN CB C 13 29.267 0 . 1 . . . . 137 GLN CB . 7312 1 1067 . 1 1 137 137 GLN N N 15 121.006 0 . 1 . . . . 137 GLN N . 7312 1 1068 . 1 1 138 138 GLY H H 1 7.874 0 . 1 . . . . 138 GLY H . 7312 1 1069 . 1 1 138 138 GLY HA2 H 1 3.728 0 . 1 . . . . 138 GLY HA2 . 7312 1 1070 . 1 1 138 138 GLY C C 13 178.996 0 . 1 . . . . 138 GLY C . 7312 1 1071 . 1 1 138 138 GLY CA C 13 45.989 0 . 1 . . . . 138 GLY CA . 7312 1 1072 . 1 1 138 138 GLY N N 15 116.575 0 . 1 . . . . 138 GLY N . 7312 1 stop_ save_