data_17836 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17836 _Entry.Title ; The assigned chemical shifts for the disordered forms of apo-IscU ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-07 _Entry.Accession_date 2011-08-07 _Entry.Last_release_date 2012-02-28 _Entry.Original_release_date 2012-02-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Jin Hae' Kim . . . 17836 2 Tonelli Marco . . . 17836 3 John Markley . L. . 17836 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17836 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 344 17836 '15N chemical shifts' 99 17836 '1H chemical shifts' 216 17836 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-02-28 2011-08-07 original author . 17836 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17837 IscU 17836 BMRB 17844 IscU:IscS 17836 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17836 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22203963 _Citation.Full_citation . _Citation.Title 'Disordered form of the scaffold protein IscU is the substrate for iron-sulfur cluster assembly on cysteine desulfurase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 109 _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 454 _Citation.Page_last 459 _Citation.Year 2012 _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 'Jin Hae' Kim . . . 17836 1 2 Tonelli Marco . . . 17836 1 3 John Markley . L. . 17836 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17836 _Assembly.ID 1 _Assembly.Name IscU _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 IscU 1 $IscU A . yes native yes yes . . . 17836 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IscU _Entity.Sf_category entity _Entity.Sf_framecode IscU _Entity.Entry_ID 17836 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IscU _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 ; MAYSEKVIDHYENPRNVGSF DNNDENVGSGMVGAPACGDV MKLQIKVNDEGIIEDARFKT YGCGSAIASSSLVTEWVKGK SLDEAQAIKNTDIAEELELP PVKIHCSILAEDAIKAAIAD YKSKREAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 15967 . IscU(D39A) . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 17836 1 2 no BMRB 16245 . IscU . . . . . 100.00 130 100.00 100.00 5.35e-87 . . . . 17836 1 3 no BMRB 16603 . IscU . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 17836 1 4 no BMRB 17282 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 5 no BMRB 17837 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 6 no BMRB 17844 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 7 no BMRB 18359 . IscU(D39V) . . . . . 100.00 128 99.22 99.22 1.14e-85 . . . . 17836 1 8 no BMRB 18360 . IscU(E111A) . . . . . 100.00 128 99.22 99.22 4.08e-86 . . . . 17836 1 9 no BMRB 18361 . IscU(N90A) . . . . . 100.00 128 99.22 99.22 6.11e-86 . . . . 17836 1 10 no BMRB 18362 . IscU(S107A) . . . . . 100.00 128 99.22 100.00 1.92e-86 . . . . 17836 1 11 no BMRB 18381 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 12 no BMRB 18750 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 13 no BMRB 18754 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 14 no PDB 2KQK . "Solution Structure Of Apo-Iscu(D39a)" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 17836 1 15 no PDB 2L4X . "Solution Structure Of Apo-Iscu(Wt)" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 16 no PDB 3LVL . "Crystal Structure Of E.Coli Iscs-Iscu Complex" . . . . . 99.22 129 100.00 100.00 6.18e-86 . . . . 17836 1 17 no DBJ BAA16423 . "scaffold protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 18 no DBJ BAB36818 . "NifU-like protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 19 no DBJ BAG78339 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 20 no DBJ BAH64655 . "hypothetical protein KP1_4113 [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 128 97.66 100.00 6.26e-85 . . . . 17836 1 21 no DBJ BAI26774 . "scaffold protein IscU [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 22 no EMBL CAD02745 . "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17836 1 23 no EMBL CAP76981 . "NifU-like protein [Escherichia coli LF82]" . . . . . 100.00 128 99.22 99.22 3.35e-86 . . . . 17836 1 24 no EMBL CAQ32902 . "scaffold protein involved in iron-sulfur cluster assembly [Escherichia coli BL21(DE3)]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 25 no EMBL CAQ88187 . "scaffold protein [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 26 no EMBL CAQ99420 . "scaffold protein [Escherichia coli IAI1]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 27 no GB AAC75582 . "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 28 no GB AAG57643 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 29 no GB AAL21436 . "NifU homolog [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17836 1 30 no GB AAN44075 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 31 no GB AAN81505 . "NifU-like protein [Escherichia coli CFT073]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 32 no PIR AE0824 . "NifU-like protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17836 1 33 no REF NP_311422 . "scaffold protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 34 no REF NP_417024 . "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 35 no REF NP_457073 . "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17836 1 36 no REF NP_461477 . "iron-sulfur cluster assembly scaffold protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 128 98.44 100.00 1.03e-85 . . . . 17836 1 37 no REF NP_708368 . "scaffold protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 38 no SP P0ACD4 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 39 no SP P0ACD5 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 40 no SP P0ACD6 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 41 no SP P0ACD7 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17836 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Iron-sulfur cluster scaffolding protein' 17836 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17836 1 2 . ALA . 17836 1 3 . TYR . 17836 1 4 . SER . 17836 1 5 . GLU . 17836 1 6 . LYS . 17836 1 7 . VAL . 17836 1 8 . ILE . 17836 1 9 . ASP . 17836 1 10 . HIS . 17836 1 11 . TYR . 17836 1 12 . GLU . 17836 1 13 . ASN . 17836 1 14 . PRO . 17836 1 15 . ARG . 17836 1 16 . ASN . 17836 1 17 . VAL . 17836 1 18 . GLY . 17836 1 19 . SER . 17836 1 20 . PHE . 17836 1 21 . ASP . 17836 1 22 . ASN . 17836 1 23 . ASN . 17836 1 24 . ASP . 17836 1 25 . GLU . 17836 1 26 . ASN . 17836 1 27 . VAL . 17836 1 28 . GLY . 17836 1 29 . SER . 17836 1 30 . GLY . 17836 1 31 . MET . 17836 1 32 . VAL . 17836 1 33 . GLY . 17836 1 34 . ALA . 17836 1 35 . PRO . 17836 1 36 . ALA . 17836 1 37 . CYS . 17836 1 38 . GLY . 17836 1 39 . ASP . 17836 1 40 . VAL . 17836 1 41 . MET . 17836 1 42 . LYS . 17836 1 43 . LEU . 17836 1 44 . GLN . 17836 1 45 . ILE . 17836 1 46 . LYS . 17836 1 47 . VAL . 17836 1 48 . ASN . 17836 1 49 . ASP . 17836 1 50 . GLU . 17836 1 51 . GLY . 17836 1 52 . ILE . 17836 1 53 . ILE . 17836 1 54 . GLU . 17836 1 55 . ASP . 17836 1 56 . ALA . 17836 1 57 . ARG . 17836 1 58 . PHE . 17836 1 59 . LYS . 17836 1 60 . THR . 17836 1 61 . TYR . 17836 1 62 . GLY . 17836 1 63 . CYS . 17836 1 64 . GLY . 17836 1 65 . SER . 17836 1 66 . ALA . 17836 1 67 . ILE . 17836 1 68 . ALA . 17836 1 69 . SER . 17836 1 70 . SER . 17836 1 71 . SER . 17836 1 72 . LEU . 17836 1 73 . VAL . 17836 1 74 . THR . 17836 1 75 . GLU . 17836 1 76 . TRP . 17836 1 77 . VAL . 17836 1 78 . LYS . 17836 1 79 . GLY . 17836 1 80 . LYS . 17836 1 81 . SER . 17836 1 82 . LEU . 17836 1 83 . ASP . 17836 1 84 . GLU . 17836 1 85 . ALA . 17836 1 86 . GLN . 17836 1 87 . ALA . 17836 1 88 . ILE . 17836 1 89 . LYS . 17836 1 90 . ASN . 17836 1 91 . THR . 17836 1 92 . ASP . 17836 1 93 . ILE . 17836 1 94 . ALA . 17836 1 95 . GLU . 17836 1 96 . GLU . 17836 1 97 . LEU . 17836 1 98 . GLU . 17836 1 99 . LEU . 17836 1 100 . PRO . 17836 1 101 . PRO . 17836 1 102 . VAL . 17836 1 103 . LYS . 17836 1 104 . ILE . 17836 1 105 . HIS . 17836 1 106 . CYS . 17836 1 107 . SER . 17836 1 108 . ILE . 17836 1 109 . LEU . 17836 1 110 . ALA . 17836 1 111 . GLU . 17836 1 112 . ASP . 17836 1 113 . ALA . 17836 1 114 . ILE . 17836 1 115 . LYS . 17836 1 116 . ALA . 17836 1 117 . ALA . 17836 1 118 . ILE . 17836 1 119 . ALA . 17836 1 120 . ASP . 17836 1 121 . TYR . 17836 1 122 . LYS . 17836 1 123 . SER . 17836 1 124 . LYS . 17836 1 125 . ARG . 17836 1 126 . GLU . 17836 1 127 . ALA . 17836 1 128 . LYS . 17836 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17836 1 . ALA 2 2 17836 1 . TYR 3 3 17836 1 . SER 4 4 17836 1 . GLU 5 5 17836 1 . LYS 6 6 17836 1 . VAL 7 7 17836 1 . ILE 8 8 17836 1 . ASP 9 9 17836 1 . HIS 10 10 17836 1 . TYR 11 11 17836 1 . GLU 12 12 17836 1 . ASN 13 13 17836 1 . PRO 14 14 17836 1 . ARG 15 15 17836 1 . ASN 16 16 17836 1 . VAL 17 17 17836 1 . GLY 18 18 17836 1 . SER 19 19 17836 1 . PHE 20 20 17836 1 . ASP 21 21 17836 1 . ASN 22 22 17836 1 . ASN 23 23 17836 1 . ASP 24 24 17836 1 . GLU 25 25 17836 1 . ASN 26 26 17836 1 . VAL 27 27 17836 1 . GLY 28 28 17836 1 . SER 29 29 17836 1 . GLY 30 30 17836 1 . MET 31 31 17836 1 . VAL 32 32 17836 1 . GLY 33 33 17836 1 . ALA 34 34 17836 1 . PRO 35 35 17836 1 . ALA 36 36 17836 1 . CYS 37 37 17836 1 . GLY 38 38 17836 1 . ASP 39 39 17836 1 . VAL 40 40 17836 1 . MET 41 41 17836 1 . LYS 42 42 17836 1 . LEU 43 43 17836 1 . GLN 44 44 17836 1 . ILE 45 45 17836 1 . LYS 46 46 17836 1 . VAL 47 47 17836 1 . ASN 48 48 17836 1 . ASP 49 49 17836 1 . GLU 50 50 17836 1 . GLY 51 51 17836 1 . ILE 52 52 17836 1 . ILE 53 53 17836 1 . GLU 54 54 17836 1 . ASP 55 55 17836 1 . ALA 56 56 17836 1 . ARG 57 57 17836 1 . PHE 58 58 17836 1 . LYS 59 59 17836 1 . THR 60 60 17836 1 . TYR 61 61 17836 1 . GLY 62 62 17836 1 . CYS 63 63 17836 1 . GLY 64 64 17836 1 . SER 65 65 17836 1 . ALA 66 66 17836 1 . ILE 67 67 17836 1 . ALA 68 68 17836 1 . SER 69 69 17836 1 . SER 70 70 17836 1 . SER 71 71 17836 1 . LEU 72 72 17836 1 . VAL 73 73 17836 1 . THR 74 74 17836 1 . GLU 75 75 17836 1 . TRP 76 76 17836 1 . VAL 77 77 17836 1 . LYS 78 78 17836 1 . GLY 79 79 17836 1 . LYS 80 80 17836 1 . SER 81 81 17836 1 . LEU 82 82 17836 1 . ASP 83 83 17836 1 . GLU 84 84 17836 1 . ALA 85 85 17836 1 . GLN 86 86 17836 1 . ALA 87 87 17836 1 . ILE 88 88 17836 1 . LYS 89 89 17836 1 . ASN 90 90 17836 1 . THR 91 91 17836 1 . ASP 92 92 17836 1 . ILE 93 93 17836 1 . ALA 94 94 17836 1 . GLU 95 95 17836 1 . GLU 96 96 17836 1 . LEU 97 97 17836 1 . GLU 98 98 17836 1 . LEU 99 99 17836 1 . PRO 100 100 17836 1 . PRO 101 101 17836 1 . VAL 102 102 17836 1 . LYS 103 103 17836 1 . ILE 104 104 17836 1 . HIS 105 105 17836 1 . CYS 106 106 17836 1 . SER 107 107 17836 1 . ILE 108 108 17836 1 . LEU 109 109 17836 1 . ALA 110 110 17836 1 . GLU 111 111 17836 1 . ASP 112 112 17836 1 . ALA 113 113 17836 1 . ILE 114 114 17836 1 . LYS 115 115 17836 1 . ALA 116 116 17836 1 . ALA 117 117 17836 1 . ILE 118 118 17836 1 . ALA 119 119 17836 1 . ASP 120 120 17836 1 . TYR 121 121 17836 1 . LYS 122 122 17836 1 . SER 123 123 17836 1 . LYS 124 124 17836 1 . ARG 125 125 17836 1 . GLU 126 126 17836 1 . ALA 127 127 17836 1 . LYS 128 128 17836 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 17836 _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 $IscU . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21 . . . . . . . . . . . . . . . . . . . . 17836 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 17836 _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 $IscU . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pTrc99a . . . . . . 17836 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17836 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 IscU '[U-13C; U-15N]' . . 1 $IscU . . 1.5 . . mM . . . . 17836 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 17836 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17836 1 4 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 17836 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 17836 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17836 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17836 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17836 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' . . M 17836 1 pH 7.5 . pH 17836 1 pressure 1 . atm 17836 1 temperature 298 . K 17836 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17836 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17836 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17836 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17836 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17836 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17836 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17836 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17836 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17836 3 'data analysis' 17836 3 'peak picking' 17836 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17836 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17836 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17836 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 17836 1 2 spectrometer_2 Varian INOVA . 900 . . . 17836 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17836 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17836 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17836 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17836 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17836 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17836 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17836 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17836 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17836 _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 0.00 na indirect 0.251449530 . . . . . . . . . 17836 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17836 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17836 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17836 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17836 1 2 '3D CBCA(CO)NH' . . . 17836 1 3 '3D C(CO)NH' . . . 17836 1 4 '3D HNCO' . . . 17836 1 5 '3D HNCACB' . . . 17836 1 6 '3D HBHA(CO)NH' . . . 17836 1 7 '3D H(CCO)NH' . . . 17836 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 4 4 SER HB2 H 1 3.745 0.030 . 2 . . . . 4 SER HB2 . 17836 1 2 . 1 1 4 4 SER HB3 H 1 3.745 0.030 . 2 . . . . 4 SER HB3 . 17836 1 3 . 1 1 4 4 SER C C 13 173.774 0.300 . 1 . . . . 4 SER C . 17836 1 4 . 1 1 4 4 SER CA C 13 57.846 0.300 . 1 . . . . 4 SER CA . 17836 1 5 . 1 1 4 4 SER CB C 13 64.033 0.300 . 1 . . . . 4 SER CB . 17836 1 6 . 1 1 5 5 GLU H H 1 8.357 0.030 . 1 . . . . 5 GLU H . 17836 1 7 . 1 1 5 5 GLU HA H 1 4.282 0.030 . 1 . . . . 5 GLU HA . 17836 1 8 . 1 1 5 5 GLU HB2 H 1 1.902 0.030 . 2 . . . . 5 GLU HB2 . 17836 1 9 . 1 1 5 5 GLU HB3 H 1 2.022 0.030 . 2 . . . . 5 GLU HB3 . 17836 1 10 . 1 1 5 5 GLU C C 13 176.100 0.300 . 1 . . . . 5 GLU C . 17836 1 11 . 1 1 5 5 GLU CA C 13 56.536 0.300 . 1 . . . . 5 GLU CA . 17836 1 12 . 1 1 5 5 GLU CB C 13 30.297 0.300 . 1 . . . . 5 GLU CB . 17836 1 13 . 1 1 5 5 GLU CG C 13 36.213 0.300 . 1 . . . . 5 GLU CG . 17836 1 14 . 1 1 5 5 GLU N N 15 123.132 0.300 . 1 . . . . 5 GLU N . 17836 1 15 . 1 1 6 6 LYS H H 1 8.227 0.030 . 1 . . . . 6 LYS H . 17836 1 16 . 1 1 6 6 LYS HA H 1 4.272 0.030 . 1 . . . . 6 LYS HA . 17836 1 17 . 1 1 6 6 LYS HB2 H 1 1.731 0.030 . 2 . . . . 6 LYS HB2 . 17836 1 18 . 1 1 6 6 LYS HB3 H 1 1.731 0.030 . 2 . . . . 6 LYS HB3 . 17836 1 19 . 1 1 6 6 LYS C C 13 176.187 0.300 . 1 . . . . 6 LYS C . 17836 1 20 . 1 1 6 6 LYS CA C 13 56.194 0.300 . 1 . . . . 6 LYS CA . 17836 1 21 . 1 1 6 6 LYS CB C 13 33.063 0.300 . 1 . . . . 6 LYS CB . 17836 1 22 . 1 1 6 6 LYS CG C 13 24.672 0.300 . 1 . . . . 6 LYS CG . 17836 1 23 . 1 1 6 6 LYS CD C 13 29.087 0.300 . 1 . . . . 6 LYS CD . 17836 1 24 . 1 1 6 6 LYS CE C 13 42.167 0.300 . 1 . . . . 6 LYS CE . 17836 1 25 . 1 1 6 6 LYS N N 15 122.268 0.300 . 1 . . . . 6 LYS N . 17836 1 26 . 1 1 7 7 VAL H H 1 8.178 0.030 . 1 . . . . 7 VAL H . 17836 1 27 . 1 1 7 7 VAL HA H 1 4.041 0.030 . 1 . . . . 7 VAL HA . 17836 1 28 . 1 1 7 7 VAL HB H 1 1.980 0.030 . 1 . . . . 7 VAL HB . 17836 1 29 . 1 1 7 7 VAL C C 13 175.961 0.300 . 1 . . . . 7 VAL C . 17836 1 30 . 1 1 7 7 VAL CA C 13 62.403 0.300 . 1 . . . . 7 VAL CA . 17836 1 31 . 1 1 7 7 VAL CB C 13 32.705 0.300 . 1 . . . . 7 VAL CB . 17836 1 32 . 1 1 7 7 VAL CG1 C 13 21.030 0.300 . 2 . . . . 7 VAL CG1 . 17836 1 33 . 1 1 7 7 VAL N N 15 122.981 0.300 . 1 . . . . 7 VAL N . 17836 1 34 . 1 1 8 8 ILE H H 1 8.196 0.030 . 1 . . . . 8 ILE H . 17836 1 35 . 1 1 8 8 ILE HA H 1 4.105 0.030 . 1 . . . . 8 ILE HA . 17836 1 36 . 1 1 8 8 ILE HB H 1 1.765 0.030 . 1 . . . . 8 ILE HB . 17836 1 37 . 1 1 8 8 ILE C C 13 175.535 0.300 . 1 . . . . 8 ILE C . 17836 1 38 . 1 1 8 8 ILE CA C 13 60.879 0.300 . 1 . . . . 8 ILE CA . 17836 1 39 . 1 1 8 8 ILE CB C 13 38.788 0.300 . 1 . . . . 8 ILE CB . 17836 1 40 . 1 1 8 8 ILE CG1 C 13 27.191 0.300 . 1 . . . . 8 ILE CG1 . 17836 1 41 . 1 1 8 8 ILE CG2 C 13 17.425 0.300 . 1 . . . . 8 ILE CG2 . 17836 1 42 . 1 1 8 8 ILE CD1 C 13 12.942 0.300 . 1 . . . . 8 ILE CD1 . 17836 1 43 . 1 1 8 8 ILE N N 15 125.036 0.300 . 1 . . . . 8 ILE N . 17836 1 44 . 1 1 9 9 ASP H H 1 8.262 0.030 . 1 . . . . 9 ASP H . 17836 1 45 . 1 1 9 9 ASP HA H 1 4.526 0.030 . 1 . . . . 9 ASP HA . 17836 1 46 . 1 1 9 9 ASP HB2 H 1 2.541 0.030 . 2 . . . . 9 ASP HB2 . 17836 1 47 . 1 1 9 9 ASP HB3 H 1 2.541 0.030 . 2 . . . . 9 ASP HB3 . 17836 1 48 . 1 1 9 9 ASP C C 13 175.697 0.300 . 1 . . . . 9 ASP C . 17836 1 49 . 1 1 9 9 ASP CA C 13 54.181 0.300 . 1 . . . . 9 ASP CA . 17836 1 50 . 1 1 9 9 ASP CB C 13 41.405 0.300 . 1 . . . . 9 ASP CB . 17836 1 51 . 1 1 9 9 ASP N N 15 124.430 0.300 . 1 . . . . 9 ASP N . 17836 1 52 . 1 1 10 10 HIS H H 1 8.104 0.030 . 1 . . . . 10 HIS H . 17836 1 53 . 1 1 10 10 HIS HA H 1 4.488 0.030 . 1 . . . . 10 HIS HA . 17836 1 54 . 1 1 10 10 HIS HB2 H 1 2.969 0.030 . 2 . . . . 10 HIS HB2 . 17836 1 55 . 1 1 10 10 HIS HB3 H 1 2.969 0.030 . 2 . . . . 10 HIS HB3 . 17836 1 56 . 1 1 10 10 HIS C C 13 174.816 0.300 . 1 . . . . 10 HIS C . 17836 1 57 . 1 1 10 10 HIS CA C 13 56.417 0.300 . 1 . . . . 10 HIS CA . 17836 1 58 . 1 1 10 10 HIS CB C 13 30.752 0.300 . 1 . . . . 10 HIS CB . 17836 1 59 . 1 1 10 10 HIS N N 15 119.919 0.300 . 1 . . . . 10 HIS N . 17836 1 60 . 1 1 11 11 TYR H H 1 8.073 0.030 . 1 . . . . 11 TYR H . 17836 1 61 . 1 1 11 11 TYR HA H 1 4.449 0.030 . 1 . . . . 11 TYR HA . 17836 1 62 . 1 1 11 11 TYR HB2 H 1 2.879 0.030 . 2 . . . . 11 TYR HB2 . 17836 1 63 . 1 1 11 11 TYR HB3 H 1 2.965 0.030 . 2 . . . . 11 TYR HB3 . 17836 1 64 . 1 1 11 11 TYR C C 13 175.394 0.300 . 1 . . . . 11 TYR C . 17836 1 65 . 1 1 11 11 TYR CA C 13 57.991 0.300 . 1 . . . . 11 TYR CA . 17836 1 66 . 1 1 11 11 TYR CB C 13 38.767 0.300 . 1 . . . . 11 TYR CB . 17836 1 67 . 1 1 11 11 TYR N N 15 121.520 0.300 . 1 . . . . 11 TYR N . 17836 1 68 . 1 1 12 12 GLU H H 1 8.142 0.030 . 1 . . . . 12 GLU H . 17836 1 69 . 1 1 12 12 GLU HA H 1 4.191 0.030 . 1 . . . . 12 GLU HA . 17836 1 70 . 1 1 12 12 GLU HB2 H 1 1.829 0.030 . 2 . . . . 12 GLU HB2 . 17836 1 71 . 1 1 12 12 GLU HB3 H 1 1.933 0.030 . 2 . . . . 12 GLU HB3 . 17836 1 72 . 1 1 12 12 GLU C C 13 175.408 0.300 . 1 . . . . 12 GLU C . 17836 1 73 . 1 1 12 12 GLU CA C 13 56.115 0.300 . 1 . . . . 12 GLU CA . 17836 1 74 . 1 1 12 12 GLU CB C 13 30.621 0.300 . 1 . . . . 12 GLU CB . 17836 1 75 . 1 1 12 12 GLU CG C 13 36.118 0.300 . 1 . . . . 12 GLU CG . 17836 1 76 . 1 1 12 12 GLU N N 15 122.487 0.300 . 1 . . . . 12 GLU N . 17836 1 77 . 1 1 13 13 ASN H H 1 8.326 0.030 . 1 . . . . 13 ASN H . 17836 1 78 . 1 1 13 13 ASN CA C 13 51.321 0.300 . 1 . . . . 13 ASN CA . 17836 1 79 . 1 1 13 13 ASN CB C 13 38.833 0.300 . 1 . . . . 13 ASN CB . 17836 1 80 . 1 1 13 13 ASN N N 15 120.847 0.300 . 1 . . . . 13 ASN N . 17836 1 81 . 1 1 14 14 PRO C C 13 176.930 0.300 . 1 . . . . 14 PRO C . 17836 1 82 . 1 1 14 14 PRO CA C 13 63.453 0.300 . 1 . . . . 14 PRO CA . 17836 1 83 . 1 1 14 14 PRO CB C 13 32.103 0.300 . 1 . . . . 14 PRO CB . 17836 1 84 . 1 1 14 14 PRO CG C 13 27.322 0.300 . 1 . . . . 14 PRO CG . 17836 1 85 . 1 1 14 14 PRO CD C 13 50.743 0.300 . 1 . . . . 14 PRO CD . 17836 1 86 . 1 1 15 15 ARG H H 1 8.313 0.030 . 1 . . . . 15 ARG H . 17836 1 87 . 1 1 15 15 ARG C C 13 176.052 0.300 . 1 . . . . 15 ARG C . 17836 1 88 . 1 1 15 15 ARG CA C 13 56.108 0.300 . 1 . . . . 15 ARG CA . 17836 1 89 . 1 1 15 15 ARG CB C 13 30.710 0.300 . 1 . . . . 15 ARG CB . 17836 1 90 . 1 1 15 15 ARG CG C 13 27.121 0.300 . 1 . . . . 15 ARG CG . 17836 1 91 . 1 1 15 15 ARG CD C 13 43.277 0.300 . 1 . . . . 15 ARG CD . 17836 1 92 . 1 1 15 15 ARG N N 15 120.100 0.300 . 1 . . . . 15 ARG N . 17836 1 93 . 1 1 16 16 ASN H H 1 8.332 0.030 . 1 . . . . 16 ASN H . 17836 1 94 . 1 1 16 16 ASN CA C 13 53.137 0.300 . 1 . . . . 16 ASN CA . 17836 1 95 . 1 1 16 16 ASN CB C 13 38.729 0.300 . 1 . . . . 16 ASN CB . 17836 1 96 . 1 1 16 16 ASN N N 15 119.522 0.300 . 1 . . . . 16 ASN N . 17836 1 97 . 1 1 17 17 VAL C C 13 176.487 0.300 . 1 . . . . 17 VAL C . 17836 1 98 . 1 1 17 17 VAL CA C 13 62.492 0.300 . 1 . . . . 17 VAL CA . 17836 1 99 . 1 1 17 17 VAL CB C 13 32.627 0.300 . 1 . . . . 17 VAL CB . 17836 1 100 . 1 1 18 18 GLY H H 1 8.415 0.030 . 1 . . . . 18 GLY H . 17836 1 101 . 1 1 18 18 GLY C C 13 173.855 0.300 . 1 . . . . 18 GLY C . 17836 1 102 . 1 1 18 18 GLY CA C 13 45.178 0.300 . 1 . . . . 18 GLY CA . 17836 1 103 . 1 1 18 18 GLY N N 15 112.130 0.300 . 1 . . . . 18 GLY N . 17836 1 104 . 1 1 19 19 SER H H 1 8.007 0.030 . 1 . . . . 19 SER H . 17836 1 105 . 1 1 19 19 SER C C 13 174.167 0.300 . 1 . . . . 19 SER C . 17836 1 106 . 1 1 19 19 SER CA C 13 58.061 0.300 . 1 . . . . 19 SER CA . 17836 1 107 . 1 1 19 19 SER CB C 13 63.876 0.300 . 1 . . . . 19 SER CB . 17836 1 108 . 1 1 19 19 SER N N 15 115.283 0.300 . 1 . . . . 19 SER N . 17836 1 109 . 1 1 20 20 PHE H H 1 8.278 0.030 . 1 . . . . 20 PHE H . 17836 1 110 . 1 1 20 20 PHE HB2 H 1 2.959 0.030 . 2 . . . . 20 PHE HB2 . 17836 1 111 . 1 1 20 20 PHE HB3 H 1 3.166 0.030 . 2 . . . . 20 PHE HB3 . 17836 1 112 . 1 1 20 20 PHE C C 13 175.292 0.300 . 1 . . . . 20 PHE C . 17836 1 113 . 1 1 20 20 PHE CA C 13 57.599 0.300 . 1 . . . . 20 PHE CA . 17836 1 114 . 1 1 20 20 PHE CB C 13 39.565 0.300 . 1 . . . . 20 PHE CB . 17836 1 115 . 1 1 20 20 PHE N N 15 121.876 0.300 . 1 . . . . 20 PHE N . 17836 1 116 . 1 1 21 21 ASP H H 1 8.252 0.030 . 1 . . . . 21 ASP H . 17836 1 117 . 1 1 21 21 ASP C C 13 175.639 0.300 . 1 . . . . 21 ASP C . 17836 1 118 . 1 1 21 21 ASP CA C 13 54.216 0.300 . 1 . . . . 21 ASP CA . 17836 1 119 . 1 1 21 21 ASP CB C 13 41.306 0.300 . 1 . . . . 21 ASP CB . 17836 1 120 . 1 1 21 21 ASP N N 15 121.457 0.300 . 1 . . . . 21 ASP N . 17836 1 121 . 1 1 22 22 ASN H H 1 8.273 0.030 . 1 . . . . 22 ASN H . 17836 1 122 . 1 1 22 22 ASN HD22 H 1 6.887 0.030 . 2 . . . . 22 ASN HD22 . 17836 1 123 . 1 1 22 22 ASN C C 13 174.971 0.300 . 1 . . . . 22 ASN C . 17836 1 124 . 1 1 22 22 ASN CA C 13 53.302 0.300 . 1 . . . . 22 ASN CA . 17836 1 125 . 1 1 22 22 ASN CB C 13 38.971 0.300 . 1 . . . . 22 ASN CB . 17836 1 126 . 1 1 22 22 ASN N N 15 119.022 0.300 . 1 . . . . 22 ASN N . 17836 1 127 . 1 1 22 22 ASN ND2 N 15 112.635 0.300 . 1 . . . . 22 ASN ND2 . 17836 1 128 . 1 1 23 23 ASN H H 1 8.435 0.030 . 1 . . . . 23 ASN H . 17836 1 129 . 1 1 23 23 ASN C C 13 175.019 0.300 . 1 . . . . 23 ASN C . 17836 1 130 . 1 1 23 23 ASN CA C 13 53.492 0.300 . 1 . . . . 23 ASN CA . 17836 1 131 . 1 1 23 23 ASN CB C 13 39.051 0.300 . 1 . . . . 23 ASN CB . 17836 1 132 . 1 1 23 23 ASN N N 15 119.331 0.300 . 1 . . . . 23 ASN N . 17836 1 133 . 1 1 24 24 ASP H H 1 8.266 0.030 . 1 . . . . 24 ASP H . 17836 1 134 . 1 1 24 24 ASP C C 13 176.487 0.300 . 1 . . . . 24 ASP C . 17836 1 135 . 1 1 24 24 ASP CA C 13 54.718 0.300 . 1 . . . . 24 ASP CA . 17836 1 136 . 1 1 24 24 ASP CB C 13 41.136 0.300 . 1 . . . . 24 ASP CB . 17836 1 137 . 1 1 24 24 ASP N N 15 120.684 0.300 . 1 . . . . 24 ASP N . 17836 1 138 . 1 1 25 25 GLU H H 1 8.353 0.030 . 1 . . . . 25 GLU H . 17836 1 139 . 1 1 25 25 GLU C C 13 176.452 0.300 . 1 . . . . 25 GLU C . 17836 1 140 . 1 1 25 25 GLU CA C 13 57.050 0.300 . 1 . . . . 25 GLU CA . 17836 1 141 . 1 1 25 25 GLU CB C 13 30.100 0.300 . 1 . . . . 25 GLU CB . 17836 1 142 . 1 1 25 25 GLU CG C 13 36.261 0.300 . 1 . . . . 25 GLU CG . 17836 1 143 . 1 1 25 25 GLU N N 15 120.896 0.300 . 1 . . . . 25 GLU N . 17836 1 144 . 1 1 26 26 ASN H H 1 8.419 0.030 . 1 . . . . 26 ASN H . 17836 1 145 . 1 1 26 26 ASN HB2 H 1 2.726 0.030 . 2 . . . . 26 ASN HB2 . 17836 1 146 . 1 1 26 26 ASN HB3 H 1 2.823 0.030 . 2 . . . . 26 ASN HB3 . 17836 1 147 . 1 1 26 26 ASN C C 13 175.395 0.300 . 1 . . . . 26 ASN C . 17836 1 148 . 1 1 26 26 ASN CA C 13 53.377 0.300 . 1 . . . . 26 ASN CA . 17836 1 149 . 1 1 26 26 ASN CB C 13 38.842 0.300 . 1 . . . . 26 ASN CB . 17836 1 150 . 1 1 26 26 ASN N N 15 119.105 0.300 . 1 . . . . 26 ASN N . 17836 1 151 . 1 1 27 27 VAL H H 1 7.974 0.030 . 1 . . . . 27 VAL H . 17836 1 152 . 1 1 27 27 VAL C C 13 176.835 0.300 . 1 . . . . 27 VAL C . 17836 1 153 . 1 1 27 27 VAL CA C 13 62.767 0.300 . 1 . . . . 27 VAL CA . 17836 1 154 . 1 1 27 27 VAL CB C 13 32.496 0.300 . 1 . . . . 27 VAL CB . 17836 1 155 . 1 1 27 27 VAL CG1 C 13 20.482 0.300 . 2 . . . . 27 VAL CG1 . 17836 1 156 . 1 1 27 27 VAL CG2 C 13 21.160 0.300 . 2 . . . . 27 VAL CG2 . 17836 1 157 . 1 1 27 27 VAL N N 15 119.872 0.300 . 1 . . . . 27 VAL N . 17836 1 158 . 1 1 28 28 GLY H H 1 8.428 0.030 . 1 . . . . 28 GLY H . 17836 1 159 . 1 1 28 28 GLY C C 13 174.440 0.300 . 1 . . . . 28 GLY C . 17836 1 160 . 1 1 28 28 GLY CA C 13 45.411 0.300 . 1 . . . . 28 GLY CA . 17836 1 161 . 1 1 28 28 GLY N N 15 111.922 0.300 . 1 . . . . 28 GLY N . 17836 1 162 . 1 1 29 29 SER H H 1 8.211 0.030 . 1 . . . . 29 SER H . 17836 1 163 . 1 1 29 29 SER C C 13 175.244 0.300 . 1 . . . . 29 SER C . 17836 1 164 . 1 1 29 29 SER CA C 13 58.683 0.300 . 1 . . . . 29 SER CA . 17836 1 165 . 1 1 29 29 SER CB C 13 63.862 0.300 . 1 . . . . 29 SER CB . 17836 1 166 . 1 1 29 29 SER N N 15 115.686 0.300 . 1 . . . . 29 SER N . 17836 1 167 . 1 1 30 30 GLY H H 1 8.455 0.030 . 1 . . . . 30 GLY H . 17836 1 168 . 1 1 30 30 GLY C C 13 174.046 0.300 . 1 . . . . 30 GLY C . 17836 1 169 . 1 1 30 30 GLY CA C 13 45.409 0.300 . 1 . . . . 30 GLY CA . 17836 1 170 . 1 1 30 30 GLY N N 15 110.673 0.300 . 1 . . . . 30 GLY N . 17836 1 171 . 1 1 31 31 MET H H 1 8.114 0.030 . 1 . . . . 31 MET H . 17836 1 172 . 1 1 31 31 MET C C 13 176.208 0.300 . 1 . . . . 31 MET C . 17836 1 173 . 1 1 31 31 MET CA C 13 55.433 0.300 . 1 . . . . 31 MET CA . 17836 1 174 . 1 1 31 31 MET CB C 13 32.959 0.300 . 1 . . . . 31 MET CB . 17836 1 175 . 1 1 31 31 MET N N 15 119.829 0.300 . 1 . . . . 31 MET N . 17836 1 176 . 1 1 32 32 VAL H H 1 8.158 0.030 . 1 . . . . 32 VAL H . 17836 1 177 . 1 1 32 32 VAL C C 13 176.542 0.300 . 1 . . . . 32 VAL C . 17836 1 178 . 1 1 32 32 VAL CA C 13 62.595 0.300 . 1 . . . . 32 VAL CA . 17836 1 179 . 1 1 32 32 VAL CB C 13 32.628 0.300 . 1 . . . . 32 VAL CB . 17836 1 180 . 1 1 32 32 VAL CG1 C 13 20.937 0.300 . 2 . . . . 32 VAL CG1 . 17836 1 181 . 1 1 32 32 VAL N N 15 121.757 0.300 . 1 . . . . 32 VAL N . 17836 1 182 . 1 1 33 33 GLY H H 1 8.448 0.030 . 1 . . . . 33 GLY H . 17836 1 183 . 1 1 33 33 GLY C C 13 173.264 0.300 . 1 . . . . 33 GLY C . 17836 1 184 . 1 1 33 33 GLY CA C 13 44.928 0.300 . 1 . . . . 33 GLY CA . 17836 1 185 . 1 1 33 33 GLY N N 15 112.902 0.300 . 1 . . . . 33 GLY N . 17836 1 186 . 1 1 34 34 ALA H H 1 8.058 0.030 . 1 . . . . 34 ALA H . 17836 1 187 . 1 1 34 34 ALA CA C 13 50.466 0.300 . 1 . . . . 34 ALA CA . 17836 1 188 . 1 1 34 34 ALA CB C 13 18.296 0.300 . 1 . . . . 34 ALA CB . 17836 1 189 . 1 1 34 34 ALA N N 15 124.752 0.300 . 1 . . . . 34 ALA N . 17836 1 190 . 1 1 35 35 PRO C C 13 176.747 0.300 . 1 . . . . 35 PRO C . 17836 1 191 . 1 1 35 35 PRO CA C 13 62.983 0.300 . 1 . . . . 35 PRO CA . 17836 1 192 . 1 1 35 35 PRO CB C 13 32.018 0.300 . 1 . . . . 35 PRO CB . 17836 1 193 . 1 1 35 35 PRO CG C 13 27.427 0.300 . 1 . . . . 35 PRO CG . 17836 1 194 . 1 1 35 35 PRO CD C 13 50.419 0.300 . 1 . . . . 35 PRO CD . 17836 1 195 . 1 1 36 36 ALA H H 1 8.448 0.030 . 1 . . . . 36 ALA H . 17836 1 196 . 1 1 36 36 ALA HA H 1 4.299 0.030 . 1 . . . . 36 ALA HA . 17836 1 197 . 1 1 36 36 ALA HB1 H 1 1.375 0.030 . 1 . . . . 36 ALA MB . 17836 1 198 . 1 1 36 36 ALA HB2 H 1 1.375 0.030 . 1 . . . . 36 ALA MB . 17836 1 199 . 1 1 36 36 ALA HB3 H 1 1.375 0.030 . 1 . . . . 36 ALA MB . 17836 1 200 . 1 1 36 36 ALA C C 13 177.769 0.300 . 1 . . . . 36 ALA C . 17836 1 201 . 1 1 36 36 ALA CA C 13 52.452 0.300 . 1 . . . . 36 ALA CA . 17836 1 202 . 1 1 36 36 ALA CB C 13 19.163 0.300 . 1 . . . . 36 ALA CB . 17836 1 203 . 1 1 36 36 ALA N N 15 124.521 0.300 . 1 . . . . 36 ALA N . 17836 1 204 . 1 1 37 37 CYS H H 1 8.322 0.030 . 1 . . . . 37 CYS H . 17836 1 205 . 1 1 37 37 CYS C C 13 175.118 0.300 . 1 . . . . 37 CYS C . 17836 1 206 . 1 1 37 37 CYS CA C 13 58.583 0.300 . 1 . . . . 37 CYS CA . 17836 1 207 . 1 1 37 37 CYS CB C 13 28.233 0.300 . 1 . . . . 37 CYS CB . 17836 1 208 . 1 1 37 37 CYS N N 15 118.362 0.300 . 1 . . . . 37 CYS N . 17836 1 209 . 1 1 38 38 GLY H H 1 8.413 0.030 . 1 . . . . 38 GLY H . 17836 1 210 . 1 1 38 38 GLY C C 13 173.769 0.300 . 1 . . . . 38 GLY C . 17836 1 211 . 1 1 38 38 GLY CA C 13 45.411 0.300 . 1 . . . . 38 GLY CA . 17836 1 212 . 1 1 38 38 GLY N N 15 111.205 0.300 . 1 . . . . 38 GLY N . 17836 1 213 . 1 1 39 39 ASP H H 1 8.192 0.030 . 1 . . . . 39 ASP H . 17836 1 214 . 1 1 39 39 ASP C C 13 176.691 0.300 . 1 . . . . 39 ASP C . 17836 1 215 . 1 1 39 39 ASP CA C 13 54.483 0.300 . 1 . . . . 39 ASP CA . 17836 1 216 . 1 1 39 39 ASP CB C 13 41.222 0.300 . 1 . . . . 39 ASP CB . 17836 1 217 . 1 1 39 39 ASP N N 15 120.771 0.300 . 1 . . . . 39 ASP N . 17836 1 218 . 1 1 40 40 VAL H H 1 8.052 0.030 . 1 . . . . 40 VAL H . 17836 1 219 . 1 1 40 40 VAL C C 13 176.574 0.300 . 1 . . . . 40 VAL C . 17836 1 220 . 1 1 40 40 VAL CA C 13 62.970 0.300 . 1 . . . . 40 VAL CA . 17836 1 221 . 1 1 40 40 VAL CB C 13 32.404 0.300 . 1 . . . . 40 VAL CB . 17836 1 222 . 1 1 40 40 VAL CG1 C 13 20.598 0.300 . 2 . . . . 40 VAL CG1 . 17836 1 223 . 1 1 40 40 VAL CG2 C 13 21.111 0.300 . 2 . . . . 40 VAL CG2 . 17836 1 224 . 1 1 40 40 VAL N N 15 120.099 0.300 . 1 . . . . 40 VAL N . 17836 1 225 . 1 1 41 41 MET H H 1 8.322 0.030 . 1 . . . . 41 MET H . 17836 1 226 . 1 1 41 41 MET C C 13 176.466 0.300 . 1 . . . . 41 MET C . 17836 1 227 . 1 1 41 41 MET CA C 13 55.799 0.300 . 1 . . . . 41 MET CA . 17836 1 228 . 1 1 41 41 MET CB C 13 32.252 0.300 . 1 . . . . 41 MET CB . 17836 1 229 . 1 1 41 41 MET N N 15 122.427 0.300 . 1 . . . . 41 MET N . 17836 1 230 . 1 1 42 42 LYS H H 1 8.090 0.030 . 1 . . . . 42 LYS H . 17836 1 231 . 1 1 42 42 LYS C C 13 176.383 0.300 . 1 . . . . 42 LYS C . 17836 1 232 . 1 1 42 42 LYS CA C 13 56.448 0.300 . 1 . . . . 42 LYS CA . 17836 1 233 . 1 1 42 42 LYS CB C 13 32.856 0.300 . 1 . . . . 42 LYS CB . 17836 1 234 . 1 1 42 42 LYS CG C 13 24.835 0.300 . 1 . . . . 42 LYS CG . 17836 1 235 . 1 1 42 42 LYS N N 15 121.852 0.300 . 1 . . . . 42 LYS N . 17836 1 236 . 1 1 43 43 LEU H H 1 8.048 0.030 . 1 . . . . 43 LEU H . 17836 1 237 . 1 1 43 43 LEU C C 13 177.087 0.300 . 1 . . . . 43 LEU C . 17836 1 238 . 1 1 43 43 LEU CA C 13 55.193 0.300 . 1 . . . . 43 LEU CA . 17836 1 239 . 1 1 43 43 LEU CB C 13 42.427 0.300 . 1 . . . . 43 LEU CB . 17836 1 240 . 1 1 43 43 LEU N N 15 122.471 0.300 . 1 . . . . 43 LEU N . 17836 1 241 . 1 1 44 44 GLN H H 1 8.278 0.030 . 1 . . . . 44 GLN H . 17836 1 242 . 1 1 44 44 GLN C C 13 175.547 0.300 . 1 . . . . 44 GLN C . 17836 1 243 . 1 1 44 44 GLN CA C 13 55.624 0.300 . 1 . . . . 44 GLN CA . 17836 1 244 . 1 1 44 44 GLN CB C 13 29.392 0.300 . 1 . . . . 44 GLN CB . 17836 1 245 . 1 1 44 44 GLN CG C 13 33.841 0.300 . 1 . . . . 44 GLN CG . 17836 1 246 . 1 1 44 44 GLN N N 15 121.358 0.300 . 1 . . . . 44 GLN N . 17836 1 247 . 1 1 45 45 ILE H H 1 8.067 0.030 . 1 . . . . 45 ILE H . 17836 1 248 . 1 1 45 45 ILE C C 13 175.764 0.300 . 1 . . . . 45 ILE C . 17836 1 249 . 1 1 45 45 ILE CA C 13 60.974 0.300 . 1 . . . . 45 ILE CA . 17836 1 250 . 1 1 45 45 ILE CB C 13 38.854 0.300 . 1 . . . . 45 ILE CB . 17836 1 251 . 1 1 45 45 ILE CG1 C 13 27.249 0.300 . 1 . . . . 45 ILE CG1 . 17836 1 252 . 1 1 45 45 ILE CG2 C 13 17.573 0.300 . 1 . . . . 45 ILE CG2 . 17836 1 253 . 1 1 45 45 ILE CD1 C 13 13.007 0.300 . 1 . . . . 45 ILE CD1 . 17836 1 254 . 1 1 45 45 ILE N N 15 122.463 0.300 . 1 . . . . 45 ILE N . 17836 1 255 . 1 1 46 46 LYS H H 1 8.379 0.030 . 1 . . . . 46 LYS H . 17836 1 256 . 1 1 46 46 LYS CA C 13 55.951 0.300 . 1 . . . . 46 LYS CA . 17836 1 257 . 1 1 46 46 LYS CB C 13 33.266 0.300 . 1 . . . . 46 LYS CB . 17836 1 258 . 1 1 46 46 LYS CG C 13 24.654 0.300 . 1 . . . . 46 LYS CG . 17836 1 259 . 1 1 46 46 LYS CD C 13 29.134 0.300 . 1 . . . . 46 LYS CD . 17836 1 260 . 1 1 46 46 LYS N N 15 126.273 0.300 . 1 . . . . 46 LYS N . 17836 1 261 . 1 1 47 47 VAL H H 1 8.246 0.030 . 1 . . . . 47 VAL H . 17836 1 262 . 1 1 47 47 VAL C C 13 175.791 0.300 . 1 . . . . 47 VAL C . 17836 1 263 . 1 1 47 47 VAL CA C 13 62.001 0.300 . 1 . . . . 47 VAL CA . 17836 1 264 . 1 1 47 47 VAL CB C 13 33.190 0.300 . 1 . . . . 47 VAL CB . 17836 1 265 . 1 1 47 47 VAL CG1 C 13 20.464 0.300 . 2 . . . . 47 VAL CG1 . 17836 1 266 . 1 1 47 47 VAL CG2 C 13 21.152 0.300 . 2 . . . . 47 VAL CG2 . 17836 1 267 . 1 1 47 47 VAL N N 15 122.147 0.300 . 1 . . . . 47 VAL N . 17836 1 268 . 1 1 48 48 ASN H H 1 8.490 0.030 . 1 . . . . 48 ASN H . 17836 1 269 . 1 1 48 48 ASN CA C 13 53.003 0.300 . 1 . . . . 48 ASN CA . 17836 1 270 . 1 1 48 48 ASN CB C 13 38.975 0.300 . 1 . . . . 48 ASN CB . 17836 1 271 . 1 1 48 48 ASN N N 15 122.362 0.300 . 1 . . . . 48 ASN N . 17836 1 272 . 1 1 49 49 ASP H H 1 8.308 0.030 . 1 . . . . 49 ASP H . 17836 1 273 . 1 1 49 49 ASP CA C 13 54.781 0.300 . 1 . . . . 49 ASP CA . 17836 1 274 . 1 1 49 49 ASP CB C 13 41.133 0.300 . 1 . . . . 49 ASP CB . 17836 1 275 . 1 1 49 49 ASP N N 15 120.853 0.300 . 1 . . . . 49 ASP N . 17836 1 276 . 1 1 50 50 GLU H H 1 8.331 0.030 . 1 . . . . 50 GLU H . 17836 1 277 . 1 1 50 50 GLU C C 13 176.994 0.300 . 1 . . . . 50 GLU C . 17836 1 278 . 1 1 50 50 GLU CA C 13 56.991 0.300 . 1 . . . . 50 GLU CA . 17836 1 279 . 1 1 50 50 GLU CB C 13 30.139 0.300 . 1 . . . . 50 GLU CB . 17836 1 280 . 1 1 50 50 GLU CG C 13 36.509 0.300 . 1 . . . . 50 GLU CG . 17836 1 281 . 1 1 50 50 GLU N N 15 120.720 0.300 . 1 . . . . 50 GLU N . 17836 1 282 . 1 1 51 51 GLY H H 1 8.360 0.030 . 1 . . . . 51 GLY H . 17836 1 283 . 1 1 51 51 GLY C C 13 173.940 0.300 . 1 . . . . 51 GLY C . 17836 1 284 . 1 1 51 51 GLY CA C 13 45.462 0.300 . 1 . . . . 51 GLY CA . 17836 1 285 . 1 1 51 51 GLY N N 15 109.070 0.300 . 1 . . . . 51 GLY N . 17836 1 286 . 1 1 52 52 ILE H H 1 7.837 0.030 . 1 . . . . 52 ILE H . 17836 1 287 . 1 1 52 52 ILE C C 13 176.201 0.300 . 1 . . . . 52 ILE C . 17836 1 288 . 1 1 52 52 ILE CA C 13 60.981 0.300 . 1 . . . . 52 ILE CA . 17836 1 289 . 1 1 52 52 ILE CB C 13 38.664 0.300 . 1 . . . . 52 ILE CB . 17836 1 290 . 1 1 52 52 ILE CG1 C 13 27.353 0.300 . 1 . . . . 52 ILE CG1 . 17836 1 291 . 1 1 52 52 ILE CG2 C 13 17.509 0.300 . 1 . . . . 52 ILE CG2 . 17836 1 292 . 1 1 52 52 ILE CD1 C 13 12.902 0.300 . 1 . . . . 52 ILE CD1 . 17836 1 293 . 1 1 52 52 ILE N N 15 120.263 0.300 . 1 . . . . 52 ILE N . 17836 1 294 . 1 1 53 53 ILE H H 1 8.205 0.030 . 1 . . . . 53 ILE H . 17836 1 295 . 1 1 53 53 ILE C C 13 176.173 0.300 . 1 . . . . 53 ILE C . 17836 1 296 . 1 1 53 53 ILE CA C 13 61.087 0.300 . 1 . . . . 53 ILE CA . 17836 1 297 . 1 1 53 53 ILE CB C 13 38.534 0.300 . 1 . . . . 53 ILE CB . 17836 1 298 . 1 1 53 53 ILE N N 15 125.629 0.300 . 1 . . . . 53 ILE N . 17836 1 299 . 1 1 54 54 GLU H H 1 8.480 0.030 . 1 . . . . 54 GLU H . 17836 1 300 . 1 1 54 54 GLU CA C 13 56.651 0.300 . 1 . . . . 54 GLU CA . 17836 1 301 . 1 1 54 54 GLU CB C 13 30.492 0.300 . 1 . . . . 54 GLU CB . 17836 1 302 . 1 1 54 54 GLU CG C 13 36.277 0.300 . 1 . . . . 54 GLU CG . 17836 1 303 . 1 1 54 54 GLU N N 15 125.916 0.300 . 1 . . . . 54 GLU N . 17836 1 304 . 1 1 55 55 ASP H H 1 8.293 0.030 . 1 . . . . 55 ASP H . 17836 1 305 . 1 1 55 55 ASP C C 13 176.463 0.300 . 1 . . . . 55 ASP C . 17836 1 306 . 1 1 55 55 ASP CA C 13 54.397 0.300 . 1 . . . . 55 ASP CA . 17836 1 307 . 1 1 55 55 ASP CB C 13 41.615 0.300 . 1 . . . . 55 ASP CB . 17836 1 308 . 1 1 55 55 ASP N N 15 122.157 0.300 . 1 . . . . 55 ASP N . 17836 1 309 . 1 1 56 56 ALA H H 1 8.376 0.030 . 1 . . . . 56 ALA H . 17836 1 310 . 1 1 56 56 ALA C C 13 178.437 0.300 . 1 . . . . 56 ALA C . 17836 1 311 . 1 1 56 56 ALA CA C 13 53.409 0.300 . 1 . . . . 56 ALA CA . 17836 1 312 . 1 1 56 56 ALA CB C 13 18.907 0.300 . 1 . . . . 56 ALA CB . 17836 1 313 . 1 1 56 56 ALA N N 15 125.661 0.300 . 1 . . . . 56 ALA N . 17836 1 314 . 1 1 57 57 ARG H H 1 8.220 0.030 . 1 . . . . 57 ARG H . 17836 1 315 . 1 1 57 57 ARG C C 13 176.825 0.300 . 1 . . . . 57 ARG C . 17836 1 316 . 1 1 57 57 ARG CA C 13 57.445 0.300 . 1 . . . . 57 ARG CA . 17836 1 317 . 1 1 57 57 ARG CB C 13 30.294 0.300 . 1 . . . . 57 ARG CB . 17836 1 318 . 1 1 57 57 ARG N N 15 118.264 0.300 . 1 . . . . 57 ARG N . 17836 1 319 . 1 1 58 58 PHE H H 1 7.898 0.030 . 1 . . . . 58 PHE H . 17836 1 320 . 1 1 58 58 PHE C C 13 175.866 0.300 . 1 . . . . 58 PHE C . 17836 1 321 . 1 1 58 58 PHE CA C 13 57.718 0.300 . 1 . . . . 58 PHE CA . 17836 1 322 . 1 1 58 58 PHE CB C 13 39.272 0.300 . 1 . . . . 58 PHE CB . 17836 1 323 . 1 1 58 58 PHE N N 15 118.351 0.300 . 1 . . . . 58 PHE N . 17836 1 324 . 1 1 59 59 LYS H H 1 7.894 0.030 . 1 . . . . 59 LYS H . 17836 1 325 . 1 1 59 59 LYS C C 13 176.385 0.300 . 1 . . . . 59 LYS C . 17836 1 326 . 1 1 59 59 LYS CA C 13 56.597 0.300 . 1 . . . . 59 LYS CA . 17836 1 327 . 1 1 59 59 LYS CB C 13 33.114 0.300 . 1 . . . . 59 LYS CB . 17836 1 328 . 1 1 59 59 LYS CG C 13 24.851 0.300 . 1 . . . . 59 LYS CG . 17836 1 329 . 1 1 59 59 LYS N N 15 121.372 0.300 . 1 . . . . 59 LYS N . 17836 1 330 . 1 1 60 60 THR H H 1 7.949 0.030 . 1 . . . . 60 THR H . 17836 1 331 . 1 1 60 60 THR C C 13 174.204 0.300 . 1 . . . . 60 THR C . 17836 1 332 . 1 1 60 60 THR CA C 13 61.913 0.300 . 1 . . . . 60 THR CA . 17836 1 333 . 1 1 60 60 THR CB C 13 69.934 0.300 . 1 . . . . 60 THR CB . 17836 1 334 . 1 1 60 60 THR N N 15 114.151 0.300 . 1 . . . . 60 THR N . 17836 1 335 . 1 1 61 61 TYR H H 1 8.171 0.030 . 1 . . . . 61 TYR H . 17836 1 336 . 1 1 61 61 TYR C C 13 176.297 0.300 . 1 . . . . 61 TYR C . 17836 1 337 . 1 1 61 61 TYR CA C 13 58.050 0.300 . 1 . . . . 61 TYR CA . 17836 1 338 . 1 1 61 61 TYR CB C 13 38.981 0.300 . 1 . . . . 61 TYR CB . 17836 1 339 . 1 1 61 61 TYR N N 15 121.910 0.300 . 1 . . . . 61 TYR N . 17836 1 340 . 1 1 62 62 GLY H H 1 8.301 0.030 . 1 . . . . 62 GLY H . 17836 1 341 . 1 1 62 62 GLY N N 15 110.355 0.300 . 1 . . . . 62 GLY N . 17836 1 342 . 1 1 71 71 SER HA H 1 4.441 0.030 . 1 . . . . 71 SER HA . 17836 1 343 . 1 1 71 71 SER HB2 H 1 3.850 0.030 . 2 . . . . 71 SER HB2 . 17836 1 344 . 1 1 71 71 SER HB3 H 1 3.850 0.030 . 2 . . . . 71 SER HB3 . 17836 1 345 . 1 1 71 71 SER C C 13 174.340 0.300 . 1 . . . . 71 SER C . 17836 1 346 . 1 1 71 71 SER CA C 13 58.646 0.300 . 1 . . . . 71 SER CA . 17836 1 347 . 1 1 71 71 SER CB C 13 63.694 0.300 . 1 . . . . 71 SER CB . 17836 1 348 . 1 1 72 72 LEU H H 1 8.096 0.030 . 1 . . . . 72 LEU H . 17836 1 349 . 1 1 72 72 LEU C C 13 176.827 0.300 . 1 . . . . 72 LEU C . 17836 1 350 . 1 1 72 72 LEU CA C 13 55.450 0.300 . 1 . . . . 72 LEU CA . 17836 1 351 . 1 1 72 72 LEU CB C 13 42.299 0.300 . 1 . . . . 72 LEU CB . 17836 1 352 . 1 1 72 72 LEU N N 15 123.652 0.300 . 1 . . . . 72 LEU N . 17836 1 353 . 1 1 73 73 VAL H H 1 8.019 0.030 . 1 . . . . 73 VAL H . 17836 1 354 . 1 1 73 73 VAL C C 13 176.315 0.300 . 1 . . . . 73 VAL C . 17836 1 355 . 1 1 73 73 VAL CA C 13 62.644 0.300 . 1 . . . . 73 VAL CA . 17836 1 356 . 1 1 73 73 VAL CB C 13 32.559 0.300 . 1 . . . . 73 VAL CB . 17836 1 357 . 1 1 73 73 VAL CG1 C 13 21.061 0.300 . 2 . . . . 73 VAL CG1 . 17836 1 358 . 1 1 73 73 VAL N N 15 120.900 0.300 . 1 . . . . 73 VAL N . 17836 1 359 . 1 1 74 74 THR H H 1 8.064 0.030 . 1 . . . . 74 THR H . 17836 1 360 . 1 1 74 74 THR C C 13 174.486 0.300 . 1 . . . . 74 THR C . 17836 1 361 . 1 1 74 74 THR CA C 13 62.116 0.300 . 1 . . . . 74 THR CA . 17836 1 362 . 1 1 74 74 THR CB C 13 69.733 0.300 . 1 . . . . 74 THR CB . 17836 1 363 . 1 1 74 74 THR N N 15 117.386 0.300 . 1 . . . . 74 THR N . 17836 1 364 . 1 1 75 75 GLU H H 1 8.223 0.030 . 1 . . . . 75 GLU H . 17836 1 365 . 1 1 75 75 GLU HA H 1 4.230 0.030 . 1 . . . . 75 GLU HA . 17836 1 366 . 1 1 75 75 GLU HB2 H 1 1.868 0.030 . 2 . . . . 75 GLU HB2 . 17836 1 367 . 1 1 75 75 GLU HB3 H 1 1.931 0.030 . 2 . . . . 75 GLU HB3 . 17836 1 368 . 1 1 75 75 GLU C C 13 176.060 0.300 . 1 . . . . 75 GLU C . 17836 1 369 . 1 1 75 75 GLU CA C 13 56.710 0.300 . 1 . . . . 75 GLU CA . 17836 1 370 . 1 1 75 75 GLU CB C 13 30.374 0.300 . 1 . . . . 75 GLU CB . 17836 1 371 . 1 1 75 75 GLU CG C 13 36.157 0.300 . 1 . . . . 75 GLU CG . 17836 1 372 . 1 1 75 75 GLU N N 15 122.787 0.300 . 1 . . . . 75 GLU N . 17836 1 373 . 1 1 76 76 TRP H H 1 8.153 0.030 . 1 . . . . 76 TRP H . 17836 1 374 . 1 1 76 76 TRP C C 13 176.223 0.300 . 1 . . . . 76 TRP C . 17836 1 375 . 1 1 76 76 TRP CA C 13 57.579 0.300 . 1 . . . . 76 TRP CA . 17836 1 376 . 1 1 76 76 TRP CB C 13 29.531 0.300 . 1 . . . . 76 TRP CB . 17836 1 377 . 1 1 76 76 TRP N N 15 122.510 0.300 . 1 . . . . 76 TRP N . 17836 1 378 . 1 1 77 77 VAL H H 1 7.853 0.030 . 1 . . . . 77 VAL H . 17836 1 379 . 1 1 77 77 VAL CA C 13 62.343 0.300 . 1 . . . . 77 VAL CA . 17836 1 380 . 1 1 77 77 VAL CB C 13 32.859 0.300 . 1 . . . . 77 VAL CB . 17836 1 381 . 1 1 77 77 VAL CG1 C 13 22.875 0.300 . 2 . . . . 77 VAL CG1 . 17836 1 382 . 1 1 77 77 VAL N N 15 121.925 0.300 . 1 . . . . 77 VAL N . 17836 1 383 . 1 1 78 78 LYS H H 1 8.114 0.030 . 1 . . . . 78 LYS H . 17836 1 384 . 1 1 78 78 LYS HA H 1 4.081 0.030 . 1 . . . . 78 LYS HA . 17836 1 385 . 1 1 78 78 LYS HB2 H 1 1.698 0.030 . 2 . . . . 78 LYS HB2 . 17836 1 386 . 1 1 78 78 LYS HB3 H 1 1.761 0.030 . 2 . . . . 78 LYS HB3 . 17836 1 387 . 1 1 78 78 LYS C C 13 177.112 0.300 . 1 . . . . 78 LYS C . 17836 1 388 . 1 1 78 78 LYS CA C 13 56.890 0.300 . 1 . . . . 78 LYS CA . 17836 1 389 . 1 1 78 78 LYS CB C 13 32.743 0.300 . 1 . . . . 78 LYS CB . 17836 1 390 . 1 1 78 78 LYS CG C 13 24.765 0.300 . 1 . . . . 78 LYS CG . 17836 1 391 . 1 1 78 78 LYS CD C 13 29.201 0.300 . 1 . . . . 78 LYS CD . 17836 1 392 . 1 1 78 78 LYS N N 15 124.545 0.300 . 1 . . . . 78 LYS N . 17836 1 393 . 1 1 79 79 GLY H H 1 8.330 0.030 . 1 . . . . 79 GLY H . 17836 1 394 . 1 1 79 79 GLY CA C 13 45.243 0.300 . 1 . . . . 79 GLY CA . 17836 1 395 . 1 1 79 79 GLY N N 15 110.138 0.300 . 1 . . . . 79 GLY N . 17836 1 396 . 1 1 80 80 LYS HA H 1 4.324 0.030 . 1 . . . . 80 LYS HA . 17836 1 397 . 1 1 80 80 LYS HB2 H 1 1.674 0.030 . 2 . . . . 80 LYS HB2 . 17836 1 398 . 1 1 80 80 LYS HB3 H 1 1.778 0.030 . 2 . . . . 80 LYS HB3 . 17836 1 399 . 1 1 80 80 LYS C C 13 176.605 0.300 . 1 . . . . 80 LYS C . 17836 1 400 . 1 1 80 80 LYS CA C 13 56.138 0.300 . 1 . . . . 80 LYS CA . 17836 1 401 . 1 1 80 80 LYS CB C 13 33.273 0.300 . 1 . . . . 80 LYS CB . 17836 1 402 . 1 1 80 80 LYS CG C 13 24.632 0.300 . 1 . . . . 80 LYS CG . 17836 1 403 . 1 1 80 80 LYS CD C 13 29.063 0.300 . 1 . . . . 80 LYS CD . 17836 1 404 . 1 1 81 81 SER H H 1 8.373 0.030 . 1 . . . . 81 SER H . 17836 1 405 . 1 1 81 81 SER HA H 1 4.400 0.030 . 1 . . . . 81 SER HA . 17836 1 406 . 1 1 81 81 SER HB2 H 1 3.840 0.030 . 2 . . . . 81 SER HB2 . 17836 1 407 . 1 1 81 81 SER HB3 H 1 3.840 0.030 . 2 . . . . 81 SER HB3 . 17836 1 408 . 1 1 81 81 SER C C 13 174.723 0.300 . 1 . . . . 81 SER C . 17836 1 409 . 1 1 81 81 SER CA C 13 58.286 0.300 . 1 . . . . 81 SER CA . 17836 1 410 . 1 1 81 81 SER CB C 13 63.817 0.300 . 1 . . . . 81 SER CB . 17836 1 411 . 1 1 81 81 SER N N 15 117.323 0.300 . 1 . . . . 81 SER N . 17836 1 412 . 1 1 82 82 LEU H H 1 8.351 0.030 . 1 . . . . 82 LEU H . 17836 1 413 . 1 1 82 82 LEU HA H 1 4.282 0.030 . 1 . . . . 82 LEU HA . 17836 1 414 . 1 1 82 82 LEU HB2 H 1 1.593 0.030 . 2 . . . . 82 LEU HB2 . 17836 1 415 . 1 1 82 82 LEU HB3 H 1 1.593 0.030 . 2 . . . . 82 LEU HB3 . 17836 1 416 . 1 1 82 82 LEU C C 13 177.329 0.300 . 1 . . . . 82 LEU C . 17836 1 417 . 1 1 82 82 LEU CA C 13 55.704 0.300 . 1 . . . . 82 LEU CA . 17836 1 418 . 1 1 82 82 LEU CB C 13 42.146 0.300 . 1 . . . . 82 LEU CB . 17836 1 419 . 1 1 82 82 LEU CG C 13 27.012 0.300 . 1 . . . . 82 LEU CG . 17836 1 420 . 1 1 82 82 LEU CD1 C 13 23.511 0.300 . 2 . . . . 82 LEU CD1 . 17836 1 421 . 1 1 82 82 LEU CD2 C 13 24.882 0.300 . 2 . . . . 82 LEU CD2 . 17836 1 422 . 1 1 82 82 LEU N N 15 124.173 0.300 . 1 . . . . 82 LEU N . 17836 1 423 . 1 1 83 83 ASP H H 1 8.215 0.030 . 1 . . . . 83 ASP H . 17836 1 424 . 1 1 83 83 ASP HA H 1 4.522 0.030 . 1 . . . . 83 ASP HA . 17836 1 425 . 1 1 83 83 ASP HB2 H 1 2.565 0.030 . 2 . . . . 83 ASP HB2 . 17836 1 426 . 1 1 83 83 ASP HB3 H 1 2.671 0.030 . 2 . . . . 83 ASP HB3 . 17836 1 427 . 1 1 83 83 ASP C C 13 176.716 0.300 . 1 . . . . 83 ASP C . 17836 1 428 . 1 1 83 83 ASP CA C 13 54.706 0.300 . 1 . . . . 83 ASP CA . 17836 1 429 . 1 1 83 83 ASP CB C 13 41.078 0.300 . 1 . . . . 83 ASP CB . 17836 1 430 . 1 1 83 83 ASP N N 15 120.362 0.300 . 1 . . . . 83 ASP N . 17836 1 431 . 1 1 84 84 GLU H H 1 8.222 0.030 . 1 . . . . 84 GLU H . 17836 1 432 . 1 1 84 84 GLU HA H 1 4.169 0.030 . 1 . . . . 84 GLU HA . 17836 1 433 . 1 1 84 84 GLU HB2 H 1 1.943 0.030 . 2 . . . . 84 GLU HB2 . 17836 1 434 . 1 1 84 84 GLU HB3 H 1 2.037 0.030 . 2 . . . . 84 GLU HB3 . 17836 1 435 . 1 1 84 84 GLU C C 13 176.753 0.300 . 1 . . . . 84 GLU C . 17836 1 436 . 1 1 84 84 GLU CA C 13 57.186 0.300 . 1 . . . . 84 GLU CA . 17836 1 437 . 1 1 84 84 GLU CB C 13 30.233 0.300 . 1 . . . . 84 GLU CB . 17836 1 438 . 1 1 84 84 GLU CG C 13 36.431 0.300 . 1 . . . . 84 GLU CG . 17836 1 439 . 1 1 84 84 GLU N N 15 121.424 0.300 . 1 . . . . 84 GLU N . 17836 1 440 . 1 1 85 85 ALA H H 1 8.224 0.030 . 1 . . . . 85 ALA H . 17836 1 441 . 1 1 85 85 ALA HA H 1 4.220 0.030 . 1 . . . . 85 ALA HA . 17836 1 442 . 1 1 85 85 ALA HB1 H 1 1.381 0.030 . 1 . . . . 85 ALA MB . 17836 1 443 . 1 1 85 85 ALA HB2 H 1 1.381 0.030 . 1 . . . . 85 ALA MB . 17836 1 444 . 1 1 85 85 ALA HB3 H 1 1.381 0.030 . 1 . . . . 85 ALA MB . 17836 1 445 . 1 1 85 85 ALA C C 13 178.124 0.300 . 1 . . . . 85 ALA C . 17836 1 446 . 1 1 85 85 ALA CA C 13 53.103 0.300 . 1 . . . . 85 ALA CA . 17836 1 447 . 1 1 85 85 ALA CB C 13 18.922 0.300 . 1 . . . . 85 ALA CB . 17836 1 448 . 1 1 85 85 ALA N N 15 123.796 0.300 . 1 . . . . 85 ALA N . 17836 1 449 . 1 1 86 86 GLN H H 1 8.102 0.030 . 1 . . . . 86 GLN H . 17836 1 450 . 1 1 86 86 GLN HB2 H 1 1.961 0.030 . 2 . . . . 86 GLN HB2 . 17836 1 451 . 1 1 86 86 GLN HB3 H 1 2.093 0.030 . 2 . . . . 86 GLN HB3 . 17836 1 452 . 1 1 86 86 GLN C C 13 175.808 0.300 . 1 . . . . 86 GLN C . 17836 1 453 . 1 1 86 86 GLN CA C 13 55.889 0.300 . 1 . . . . 86 GLN CA . 17836 1 454 . 1 1 86 86 GLN CB C 13 29.350 0.300 . 1 . . . . 86 GLN CB . 17836 1 455 . 1 1 86 86 GLN CG C 13 33.878 0.300 . 1 . . . . 86 GLN CG . 17836 1 456 . 1 1 86 86 GLN N N 15 118.257 0.300 . 1 . . . . 86 GLN N . 17836 1 457 . 1 1 87 87 ALA H H 1 8.087 0.030 . 1 . . . . 87 ALA H . 17836 1 458 . 1 1 87 87 ALA HA H 1 4.261 0.030 . 1 . . . . 87 ALA HA . 17836 1 459 . 1 1 87 87 ALA HB1 H 1 1.355 0.030 . 1 . . . . 87 ALA MB . 17836 1 460 . 1 1 87 87 ALA HB2 H 1 1.355 0.030 . 1 . . . . 87 ALA MB . 17836 1 461 . 1 1 87 87 ALA HB3 H 1 1.355 0.030 . 1 . . . . 87 ALA MB . 17836 1 462 . 1 1 87 87 ALA C C 13 177.685 0.300 . 1 . . . . 87 ALA C . 17836 1 463 . 1 1 87 87 ALA CA C 13 52.695 0.300 . 1 . . . . 87 ALA CA . 17836 1 464 . 1 1 87 87 ALA CB C 13 19.135 0.300 . 1 . . . . 87 ALA CB . 17836 1 465 . 1 1 87 87 ALA N N 15 124.560 0.300 . 1 . . . . 87 ALA N . 17836 1 466 . 1 1 88 88 ILE H H 1 8.003 0.030 . 1 . . . . 88 ILE H . 17836 1 467 . 1 1 88 88 ILE HA H 1 4.078 0.030 . 1 . . . . 88 ILE HA . 17836 1 468 . 1 1 88 88 ILE HB H 1 1.818 0.030 . 1 . . . . 88 ILE HB . 17836 1 469 . 1 1 88 88 ILE C C 13 176.205 0.300 . 1 . . . . 88 ILE C . 17836 1 470 . 1 1 88 88 ILE CA C 13 61.181 0.300 . 1 . . . . 88 ILE CA . 17836 1 471 . 1 1 88 88 ILE CB C 13 38.615 0.300 . 1 . . . . 88 ILE CB . 17836 1 472 . 1 1 88 88 ILE CG1 C 13 27.416 0.300 . 1 . . . . 88 ILE CG1 . 17836 1 473 . 1 1 88 88 ILE CG2 C 13 17.532 0.300 . 1 . . . . 88 ILE CG2 . 17836 1 474 . 1 1 88 88 ILE CD1 C 13 12.999 0.300 . 1 . . . . 88 ILE CD1 . 17836 1 475 . 1 1 88 88 ILE N N 15 119.979 0.300 . 1 . . . . 88 ILE N . 17836 1 476 . 1 1 89 89 LYS H H 1 8.290 0.030 . 1 . . . . 89 LYS H . 17836 1 477 . 1 1 89 89 LYS CA C 13 56.064 0.300 . 1 . . . . 89 LYS CA . 17836 1 478 . 1 1 89 89 LYS CB C 13 33.237 0.300 . 1 . . . . 89 LYS CB . 17836 1 479 . 1 1 89 89 LYS N N 15 125.513 0.300 . 1 . . . . 89 LYS N . 17836 1 480 . 1 1 90 90 ASN HA H 1 4.723 0.030 . 1 . . . . 90 ASN HA . 17836 1 481 . 1 1 90 90 ASN HB2 H 1 2.754 0.030 . 2 . . . . 90 ASN HB2 . 17836 1 482 . 1 1 90 90 ASN HB3 H 1 2.828 0.030 . 2 . . . . 90 ASN HB3 . 17836 1 483 . 1 1 90 90 ASN C C 13 175.466 0.300 . 1 . . . . 90 ASN C . 17836 1 484 . 1 1 90 90 ASN CA C 13 53.380 0.300 . 1 . . . . 90 ASN CA . 17836 1 485 . 1 1 90 90 ASN CB C 13 38.898 0.300 . 1 . . . . 90 ASN CB . 17836 1 486 . 1 1 91 91 THR H H 1 8.109 0.030 . 1 . . . . 91 THR H . 17836 1 487 . 1 1 91 91 THR HA H 1 4.287 0.030 . 1 . . . . 91 THR HA . 17836 1 488 . 1 1 91 91 THR HB H 1 4.108 0.030 . 1 . . . . 91 THR HB . 17836 1 489 . 1 1 91 91 THR C C 13 174.224 0.300 . 1 . . . . 91 THR C . 17836 1 490 . 1 1 91 91 THR CA C 13 61.904 0.300 . 1 . . . . 91 THR CA . 17836 1 491 . 1 1 91 91 THR CB C 13 69.604 0.300 . 1 . . . . 91 THR CB . 17836 1 492 . 1 1 91 91 THR N N 15 113.981 0.300 . 1 . . . . 91 THR N . 17836 1 493 . 1 1 92 92 ASP H H 1 8.322 0.030 . 1 . . . . 92 ASP H . 17836 1 494 . 1 1 92 92 ASP HA H 1 4.597 0.030 . 1 . . . . 92 ASP HA . 17836 1 495 . 1 1 92 92 ASP HB2 H 1 2.603 0.030 . 2 . . . . 92 ASP HB2 . 17836 1 496 . 1 1 92 92 ASP HB3 H 1 2.681 0.030 . 2 . . . . 92 ASP HB3 . 17836 1 497 . 1 1 92 92 ASP C C 13 176.060 0.300 . 1 . . . . 92 ASP C . 17836 1 498 . 1 1 92 92 ASP CA C 13 54.606 0.300 . 1 . . . . 92 ASP CA . 17836 1 499 . 1 1 92 92 ASP CB C 13 41.111 0.300 . 1 . . . . 92 ASP CB . 17836 1 500 . 1 1 92 92 ASP N N 15 122.856 0.300 . 1 . . . . 92 ASP N . 17836 1 501 . 1 1 93 93 ILE H H 1 7.936 0.030 . 1 . . . . 93 ILE H . 17836 1 502 . 1 1 93 93 ILE HA H 1 4.115 0.030 . 1 . . . . 93 ILE HA . 17836 1 503 . 1 1 93 93 ILE HB H 1 1.829 0.030 . 1 . . . . 93 ILE HB . 17836 1 504 . 1 1 93 93 ILE C C 13 175.820 0.300 . 1 . . . . 93 ILE C . 17836 1 505 . 1 1 93 93 ILE CA C 13 61.043 0.300 . 1 . . . . 93 ILE CA . 17836 1 506 . 1 1 93 93 ILE CB C 13 38.795 0.300 . 1 . . . . 93 ILE CB . 17836 1 507 . 1 1 93 93 ILE CG1 C 13 27.200 0.300 . 1 . . . . 93 ILE CG1 . 17836 1 508 . 1 1 93 93 ILE CG2 C 13 17.541 0.300 . 1 . . . . 93 ILE CG2 . 17836 1 509 . 1 1 93 93 ILE CD1 C 13 13.078 0.300 . 1 . . . . 93 ILE CD1 . 17836 1 510 . 1 1 93 93 ILE N N 15 120.670 0.300 . 1 . . . . 93 ILE N . 17836 1 511 . 1 1 94 94 ALA H H 1 8.303 0.030 . 1 . . . . 94 ALA H . 17836 1 512 . 1 1 94 94 ALA HA H 1 4.276 0.030 . 1 . . . . 94 ALA HA . 17836 1 513 . 1 1 94 94 ALA HB1 H 1 1.358 0.030 . 1 . . . . 94 ALA MB . 17836 1 514 . 1 1 94 94 ALA HB2 H 1 1.358 0.030 . 1 . . . . 94 ALA MB . 17836 1 515 . 1 1 94 94 ALA HB3 H 1 1.358 0.030 . 1 . . . . 94 ALA MB . 17836 1 516 . 1 1 94 94 ALA C C 13 177.687 0.300 . 1 . . . . 94 ALA C . 17836 1 517 . 1 1 94 94 ALA CA C 13 52.601 0.300 . 1 . . . . 94 ALA CA . 17836 1 518 . 1 1 94 94 ALA CB C 13 19.228 0.300 . 1 . . . . 94 ALA CB . 17836 1 519 . 1 1 94 94 ALA N N 15 128.197 0.300 . 1 . . . . 94 ALA N . 17836 1 520 . 1 1 95 95 GLU H H 1 8.294 0.030 . 1 . . . . 95 GLU H . 17836 1 521 . 1 1 95 95 GLU HA H 1 4.199 0.030 . 1 . . . . 95 GLU HA . 17836 1 522 . 1 1 95 95 GLU HB2 H 1 1.906 0.030 . 2 . . . . 95 GLU HB2 . 17836 1 523 . 1 1 95 95 GLU HB3 H 1 2.001 0.030 . 2 . . . . 95 GLU HB3 . 17836 1 524 . 1 1 95 95 GLU C C 13 176.536 0.300 . 1 . . . . 95 GLU C . 17836 1 525 . 1 1 95 95 GLU CA C 13 56.791 0.300 . 1 . . . . 95 GLU CA . 17836 1 526 . 1 1 95 95 GLU CB C 13 30.466 0.300 . 1 . . . . 95 GLU CB . 17836 1 527 . 1 1 95 95 GLU CG C 13 36.420 0.300 . 1 . . . . 95 GLU CG . 17836 1 528 . 1 1 95 95 GLU N N 15 120.423 0.300 . 1 . . . . 95 GLU N . 17836 1 529 . 1 1 96 96 GLU H H 1 8.382 0.030 . 1 . . . . 96 GLU H . 17836 1 530 . 1 1 96 96 GLU CA C 13 56.552 0.300 . 1 . . . . 96 GLU CA . 17836 1 531 . 1 1 96 96 GLU CB C 13 30.219 0.300 . 1 . . . . 96 GLU CB . 17836 1 532 . 1 1 96 96 GLU N N 15 121.825 0.300 . 1 . . . . 96 GLU N . 17836 1 533 . 1 1 97 97 LEU H H 1 8.150 0.030 . 1 . . . . 97 LEU H . 17836 1 534 . 1 1 97 97 LEU CA C 13 55.079 0.300 . 1 . . . . 97 LEU CA . 17836 1 535 . 1 1 97 97 LEU CB C 13 42.656 0.300 . 1 . . . . 97 LEU CB . 17836 1 536 . 1 1 97 97 LEU N N 15 123.072 0.300 . 1 . . . . 97 LEU N . 17836 1 537 . 1 1 98 98 GLU H H 1 8.239 0.030 . 1 . . . . 98 GLU H . 17836 1 538 . 1 1 98 98 GLU CA C 13 56.157 0.300 . 1 . . . . 98 GLU CA . 17836 1 539 . 1 1 98 98 GLU CB C 13 30.347 0.300 . 1 . . . . 98 GLU CB . 17836 1 540 . 1 1 98 98 GLU CG C 13 36.243 0.300 . 1 . . . . 98 GLU CG . 17836 1 541 . 1 1 98 98 GLU N N 15 121.689 0.300 . 1 . . . . 98 GLU N . 17836 1 542 . 1 1 99 99 LEU H H 1 8.209 0.030 . 1 . . . . 99 LEU H . 17836 1 543 . 1 1 99 99 LEU CA C 13 52.818 0.300 . 1 . . . . 99 LEU CA . 17836 1 544 . 1 1 99 99 LEU CB C 13 41.718 0.300 . 1 . . . . 99 LEU CB . 17836 1 545 . 1 1 99 99 LEU N N 15 125.059 0.300 . 1 . . . . 99 LEU N . 17836 1 546 . 1 1 101 101 PRO C C 13 176.857 0.300 . 1 . . . . 101 PRO C . 17836 1 547 . 1 1 101 101 PRO CA C 13 62.978 0.300 . 1 . . . . 101 PRO CA . 17836 1 548 . 1 1 102 102 VAL H H 1 8.100 0.030 . 1 . . . . 102 VAL H . 17836 1 549 . 1 1 102 102 VAL HA H 1 4.002 0.030 . 1 . . . . 102 VAL HA . 17836 1 550 . 1 1 102 102 VAL HB H 1 1.983 0.030 . 1 . . . . 102 VAL HB . 17836 1 551 . 1 1 102 102 VAL CA C 13 62.324 0.300 . 1 . . . . 102 VAL CA . 17836 1 552 . 1 1 102 102 VAL CB C 13 32.737 0.300 . 1 . . . . 102 VAL CB . 17836 1 553 . 1 1 102 102 VAL CG1 C 13 20.929 0.300 . 2 . . . . 102 VAL CG1 . 17836 1 554 . 1 1 102 102 VAL N N 15 120.180 0.300 . 1 . . . . 102 VAL N . 17836 1 555 . 1 1 103 103 LYS H H 1 8.321 0.030 . 1 . . . . 103 LYS H . 17836 1 556 . 1 1 103 103 LYS N N 15 125.634 0.300 . 1 . . . . 103 LYS N . 17836 1 557 . 1 1 107 107 SER HB2 H 1 3.840 0.030 . 2 . . . . 107 SER HB2 . 17836 1 558 . 1 1 107 107 SER HB3 H 1 3.840 0.030 . 2 . . . . 107 SER HB3 . 17836 1 559 . 1 1 107 107 SER C C 13 174.313 0.300 . 1 . . . . 107 SER C . 17836 1 560 . 1 1 107 107 SER CA C 13 58.533 0.300 . 1 . . . . 107 SER CA . 17836 1 561 . 1 1 107 107 SER CB C 13 63.760 0.300 . 1 . . . . 107 SER CB . 17836 1 562 . 1 1 108 108 ILE H H 1 8.159 0.030 . 1 . . . . 108 ILE H . 17836 1 563 . 1 1 108 108 ILE CA C 13 61.394 0.300 . 1 . . . . 108 ILE CA . 17836 1 564 . 1 1 108 108 ILE CB C 13 38.768 0.300 . 1 . . . . 108 ILE CB . 17836 1 565 . 1 1 108 108 ILE N N 15 122.931 0.300 . 1 . . . . 108 ILE N . 17836 1 566 . 1 1 109 109 LEU H H 1 8.261 0.030 . 1 . . . . 109 LEU H . 17836 1 567 . 1 1 109 109 LEU HA H 1 4.324 0.030 . 1 . . . . 109 LEU HA . 17836 1 568 . 1 1 109 109 LEU HB2 H 1 1.592 0.030 . 2 . . . . 109 LEU HB2 . 17836 1 569 . 1 1 109 109 LEU HB3 H 1 1.592 0.030 . 2 . . . . 109 LEU HB3 . 17836 1 570 . 1 1 109 109 LEU C C 13 177.119 0.300 . 1 . . . . 109 LEU C . 17836 1 571 . 1 1 109 109 LEU CA C 13 54.978 0.300 . 1 . . . . 109 LEU CA . 17836 1 572 . 1 1 109 109 LEU CB C 13 42.324 0.300 . 1 . . . . 109 LEU CB . 17836 1 573 . 1 1 109 109 LEU CG C 13 27.184 0.300 . 1 . . . . 109 LEU CG . 17836 1 574 . 1 1 109 109 LEU N N 15 126.139 0.300 . 1 . . . . 109 LEU N . 17836 1 575 . 1 1 110 110 ALA H H 1 8.262 0.030 . 1 . . . . 110 ALA H . 17836 1 576 . 1 1 110 110 ALA HA H 1 4.250 0.030 . 1 . . . . 110 ALA HA . 17836 1 577 . 1 1 110 110 ALA HB1 H 1 1.389 0.030 . 1 . . . . 110 ALA MB . 17836 1 578 . 1 1 110 110 ALA HB2 H 1 1.389 0.030 . 1 . . . . 110 ALA MB . 17836 1 579 . 1 1 110 110 ALA HB3 H 1 1.389 0.030 . 1 . . . . 110 ALA MB . 17836 1 580 . 1 1 110 110 ALA C C 13 178.154 0.300 . 1 . . . . 110 ALA C . 17836 1 581 . 1 1 110 110 ALA CA C 13 52.879 0.300 . 1 . . . . 110 ALA CA . 17836 1 582 . 1 1 110 110 ALA CB C 13 19.142 0.300 . 1 . . . . 110 ALA CB . 17836 1 583 . 1 1 110 110 ALA N N 15 125.244 0.300 . 1 . . . . 110 ALA N . 17836 1 584 . 1 1 111 111 GLU H H 1 8.448 0.030 . 1 . . . . 111 GLU H . 17836 1 585 . 1 1 111 111 GLU HA H 1 4.148 0.030 . 1 . . . . 111 GLU HA . 17836 1 586 . 1 1 111 111 GLU HB2 H 1 1.952 0.030 . 2 . . . . 111 GLU HB2 . 17836 1 587 . 1 1 111 111 GLU HB3 H 1 2.020 0.030 . 2 . . . . 111 GLU HB3 . 17836 1 588 . 1 1 111 111 GLU C C 13 176.788 0.300 . 1 . . . . 111 GLU C . 17836 1 589 . 1 1 111 111 GLU CA C 13 57.443 0.300 . 1 . . . . 111 GLU CA . 17836 1 590 . 1 1 111 111 GLU CB C 13 30.077 0.300 . 1 . . . . 111 GLU CB . 17836 1 591 . 1 1 111 111 GLU CG C 13 36.371 0.300 . 1 . . . . 111 GLU CG . 17836 1 592 . 1 1 111 111 GLU N N 15 119.701 0.300 . 1 . . . . 111 GLU N . 17836 1 593 . 1 1 112 112 ASP H H 1 8.213 0.030 . 1 . . . . 112 ASP H . 17836 1 594 . 1 1 112 112 ASP HA H 1 4.510 0.030 . 1 . . . . 112 ASP HA . 17836 1 595 . 1 1 112 112 ASP HB2 H 1 2.641 0.030 . 2 . . . . 112 ASP HB2 . 17836 1 596 . 1 1 112 112 ASP HB3 H 1 2.641 0.030 . 2 . . . . 112 ASP HB3 . 17836 1 597 . 1 1 112 112 ASP C C 13 176.495 0.300 . 1 . . . . 112 ASP C . 17836 1 598 . 1 1 112 112 ASP CA C 13 54.802 0.300 . 1 . . . . 112 ASP CA . 17836 1 599 . 1 1 112 112 ASP CB C 13 40.899 0.300 . 1 . . . . 112 ASP CB . 17836 1 600 . 1 1 112 112 ASP N N 15 120.175 0.300 . 1 . . . . 112 ASP N . 17836 1 601 . 1 1 113 113 ALA H H 1 7.973 0.030 . 1 . . . . 113 ALA H . 17836 1 602 . 1 1 113 113 ALA HA H 1 4.222 0.030 . 1 . . . . 113 ALA HA . 17836 1 603 . 1 1 113 113 ALA HB1 H 1 1.386 0.030 . 1 . . . . 113 ALA MB . 17836 1 604 . 1 1 113 113 ALA HB2 H 1 1.386 0.030 . 1 . . . . 113 ALA MB . 17836 1 605 . 1 1 113 113 ALA HB3 H 1 1.386 0.030 . 1 . . . . 113 ALA MB . 17836 1 606 . 1 1 113 113 ALA C C 13 178.308 0.300 . 1 . . . . 113 ALA C . 17836 1 607 . 1 1 113 113 ALA CA C 13 53.149 0.300 . 1 . . . . 113 ALA CA . 17836 1 608 . 1 1 113 113 ALA CB C 13 19.136 0.300 . 1 . . . . 113 ALA CB . 17836 1 609 . 1 1 113 113 ALA N N 15 123.714 0.300 . 1 . . . . 113 ALA N . 17836 1 610 . 1 1 114 114 ILE H H 1 7.922 0.030 . 1 . . . . 114 ILE H . 17836 1 611 . 1 1 114 114 ILE CA C 13 61.791 0.300 . 1 . . . . 114 ILE CA . 17836 1 612 . 1 1 114 114 ILE CB C 13 38.298 0.300 . 1 . . . . 114 ILE CB . 17836 1 613 . 1 1 114 114 ILE N N 15 119.397 0.300 . 1 . . . . 114 ILE N . 17836 1 614 . 1 1 115 115 LYS H H 1 8.019 0.030 . 1 . . . . 115 LYS H . 17836 1 615 . 1 1 115 115 LYS N N 15 122.143 0.300 . 1 . . . . 115 LYS N . 17836 1 616 . 1 1 116 116 ALA HA H 1 4.190 0.030 . 1 . . . . 116 ALA HA . 17836 1 617 . 1 1 116 116 ALA HB1 H 1 1.401 0.030 . 1 . . . . 116 ALA MB . 17836 1 618 . 1 1 116 116 ALA HB2 H 1 1.401 0.030 . 1 . . . . 116 ALA MB . 17836 1 619 . 1 1 116 116 ALA HB3 H 1 1.401 0.030 . 1 . . . . 116 ALA MB . 17836 1 620 . 1 1 116 116 ALA C C 13 178.288 0.300 . 1 . . . . 116 ALA C . 17836 1 621 . 1 1 116 116 ALA CA C 13 53.459 0.300 . 1 . . . . 116 ALA CA . 17836 1 622 . 1 1 116 116 ALA CB C 13 18.733 0.300 . 1 . . . . 116 ALA CB . 17836 1 623 . 1 1 117 117 ALA H H 1 7.925 0.030 . 1 . . . . 117 ALA H . 17836 1 624 . 1 1 117 117 ALA CA C 13 53.310 0.300 . 1 . . . . 117 ALA CA . 17836 1 625 . 1 1 117 117 ALA CB C 13 18.748 0.300 . 1 . . . . 117 ALA CB . 17836 1 626 . 1 1 117 117 ALA N N 15 122.161 0.300 . 1 . . . . 117 ALA N . 17836 1 627 . 1 1 119 119 ALA H H 1 8.068 0.030 . 1 . . . . 119 ALA H . 17836 1 628 . 1 1 119 119 ALA N N 15 125.694 0.300 . 1 . . . . 119 ALA N . 17836 1 629 . 1 1 120 120 ASP CB C 13 41.215 0.300 . 1 . . . . 120 ASP CB . 17836 1 630 . 1 1 121 121 TYR H H 1 8.013 0.030 . 1 . . . . 121 TYR H . 17836 1 631 . 1 1 121 121 TYR C C 13 176.768 0.300 . 1 . . . . 121 TYR C . 17836 1 632 . 1 1 121 121 TYR CA C 13 59.278 0.300 . 1 . . . . 121 TYR CA . 17836 1 633 . 1 1 121 121 TYR CB C 13 38.273 0.300 . 1 . . . . 121 TYR CB . 17836 1 634 . 1 1 121 121 TYR N N 15 120.817 0.300 . 1 . . . . 121 TYR N . 17836 1 635 . 1 1 122 122 LYS H H 1 8.122 0.030 . 1 . . . . 122 LYS H . 17836 1 636 . 1 1 122 122 LYS N N 15 121.162 0.300 . 1 . . . . 122 LYS N . 17836 1 637 . 1 1 125 125 ARG CG C 13 27.017 0.300 . 1 . . . . 125 ARG CG . 17836 1 638 . 1 1 126 126 GLU H H 1 8.261 0.030 . 1 . . . . 126 GLU H . 17836 1 639 . 1 1 126 126 GLU HA H 1 4.246 0.030 . 1 . . . . 126 GLU HA . 17836 1 640 . 1 1 126 126 GLU HB2 H 1 1.907 0.030 . 2 . . . . 126 GLU HB2 . 17836 1 641 . 1 1 126 126 GLU HB3 H 1 2.035 0.030 . 2 . . . . 126 GLU HB3 . 17836 1 642 . 1 1 126 126 GLU C C 13 175.860 0.300 . 1 . . . . 126 GLU C . 17836 1 643 . 1 1 126 126 GLU CA C 13 56.393 0.300 . 1 . . . . 126 GLU CA . 17836 1 644 . 1 1 126 126 GLU CB C 13 30.395 0.300 . 1 . . . . 126 GLU CB . 17836 1 645 . 1 1 126 126 GLU CG C 13 36.318 0.300 . 1 . . . . 126 GLU CG . 17836 1 646 . 1 1 126 126 GLU N N 15 121.682 0.300 . 1 . . . . 126 GLU N . 17836 1 647 . 1 1 127 127 ALA H H 1 8.179 0.030 . 1 . . . . 127 ALA H . 17836 1 648 . 1 1 127 127 ALA HA H 1 4.309 0.030 . 1 . . . . 127 ALA HA . 17836 1 649 . 1 1 127 127 ALA HB1 H 1 1.365 0.030 . 1 . . . . 127 ALA MB . 17836 1 650 . 1 1 127 127 ALA HB2 H 1 1.365 0.030 . 1 . . . . 127 ALA MB . 17836 1 651 . 1 1 127 127 ALA HB3 H 1 1.365 0.030 . 1 . . . . 127 ALA MB . 17836 1 652 . 1 1 127 127 ALA C C 13 176.454 0.300 . 1 . . . . 127 ALA C . 17836 1 653 . 1 1 127 127 ALA CA C 13 52.455 0.300 . 1 . . . . 127 ALA CA . 17836 1 654 . 1 1 127 127 ALA CB C 13 19.165 0.300 . 1 . . . . 127 ALA CB . 17836 1 655 . 1 1 127 127 ALA N N 15 125.752 0.300 . 1 . . . . 127 ALA N . 17836 1 656 . 1 1 128 128 LYS H H 1 7.850 0.030 . 1 . . . . 128 LYS H . 17836 1 657 . 1 1 128 128 LYS CA C 13 57.560 0.300 . 1 . . . . 128 LYS CA . 17836 1 658 . 1 1 128 128 LYS CB C 13 33.796 0.300 . 1 . . . . 128 LYS CB . 17836 1 659 . 1 1 128 128 LYS N N 15 126.131 0.300 . 1 . . . . 128 LYS N . 17836 1 stop_ save_