data_17282 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17282 _Entry.Title ; Solution Structure of apo-IscU(WT) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-03 _Entry.Accession_date 2010-11-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 N. . . 17282 2 Marco Tonelli . . . 17282 3 John Markley . L. . 17282 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17282 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'iron-sulfur cluster' . 17282 'iron-sulfur cluster scaffold' . 17282 IscU . 17282 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17282 heteronucl_NOEs 1 17282 heteronucl_T1_relaxation 1 17282 heteronucl_T2_relaxation 1 17282 RDCs 1 17282 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 394 17282 '15N chemical shifts' 98 17282 '1H chemical shifts' 645 17282 'heteronuclear NOE values' 81 17282 'residual dipolar couplings' 74 17282 'T1 relaxation values' 79 17282 'T2 relaxation values' 79 17282 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 . . 2013-01-28 2010-11-03 update BMRB 'update entry citation' 17282 1 . . 2012-08-29 2010-11-03 original author 'original release' 17282 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1R9P 'Solution structure of Zn-bound IscU' 17282 PDB 2KQK 'Solution structure of apo-IscU(D39A)' 17282 PDB 2L4X 'BMRB Entry Tracking System' 17282 PDB 2Z7E 'Solution structure of holo-IscU' 17282 PDB 3LVL 'Complex crystal structure of IscU and IscS' 17282 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17282 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22734684 _Citation.Full_citation . _Citation.Title 'Three-dimensional structure and determinants of stability of the iron-sulfur cluster scaffold protein IscU from Escherichia coli.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 28 _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 5557 _Citation.Page_last 5563 _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 . . . 17282 1 2 Marco Tonelli . . . 17282 1 3 Taewook Kim . . . 17282 1 4 John Markley . L. . 17282 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17282 _Assembly.ID 1 _Assembly.Name IscU _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 IscU 1 $IscU A . yes native yes no . . . 17282 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IscU _Entity.Sf_category entity _Entity.Sf_framecode IscU _Entity.Entry_ID 17282 _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 A _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 man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation WT _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13865.679 _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 . . . . 17282 1 2 no BMRB 16245 . IscU . . . . . 100.00 130 100.00 100.00 5.35e-87 . . . . 17282 1 3 no BMRB 16603 . IscU . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 17282 1 4 no BMRB 17836 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 1 5 no BMRB 17837 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 1 6 no BMRB 17844 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 1 7 no BMRB 18359 . IscU(D39V) . . . . . 100.00 128 99.22 99.22 1.14e-85 . . . . 17282 1 8 no BMRB 18360 . IscU(E111A) . . . . . 100.00 128 99.22 99.22 4.08e-86 . . . . 17282 1 9 no BMRB 18361 . IscU(N90A) . . . . . 100.00 128 99.22 99.22 6.11e-86 . . . . 17282 1 10 no BMRB 18362 . IscU(S107A) . . . . . 100.00 128 99.22 100.00 1.92e-86 . . . . 17282 1 11 no BMRB 18381 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 1 12 no BMRB 18750 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 1 13 no BMRB 18754 . IscU . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 1 14 no PDB 2KQK . "Solution Structure Of Apo-Iscu(D39a)" . . . . . 100.00 128 99.22 99.22 7.28e-86 . . . . 17282 1 15 no PDB 2L4X . "Solution Structure Of Apo-Iscu(Wt)" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 1 16 no PDB 3LVL . "Crystal Structure Of E.Coli Iscs-Iscu Complex" . . . . . 99.22 129 100.00 100.00 6.18e-86 . . . . 17282 1 17 no DBJ BAA16423 . "scaffold protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 1 18 no DBJ BAB36818 . "NifU-like protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 1 19 no DBJ BAG78339 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 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 . . . . 17282 1 21 no DBJ BAI26774 . "scaffold protein IscU [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 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 . . . . 17282 1 23 no EMBL CAP76981 . "NifU-like protein [Escherichia coli LF82]" . . . . . 100.00 128 99.22 99.22 3.35e-86 . . . . 17282 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 . . . . 17282 1 25 no EMBL CAQ88187 . "scaffold protein [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 1 26 no EMBL CAQ99420 . "scaffold protein [Escherichia coli IAI1]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 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 . . . . 17282 1 28 no GB AAG57643 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 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 . . . . 17282 1 30 no GB AAN44075 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 1 31 no GB AAN81505 . "NifU-like protein [Escherichia coli CFT073]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 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 . . . . 17282 1 33 no REF NP_311422 . "scaffold protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 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 . . . . 17282 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 . . . . 17282 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 . . . . 17282 1 37 no REF NP_708368 . "scaffold protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 128 100.00 100.00 5.53e-87 . . . . 17282 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 . . . . 17282 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 . . . . 17282 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 . . . . 17282 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 . . . . 17282 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Iron-sulfur cluster scaffolding fucntion' 17282 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 . 17282 1 2 . ALA . 17282 1 3 . TYR . 17282 1 4 . SER . 17282 1 5 . GLU . 17282 1 6 . LYS . 17282 1 7 . VAL . 17282 1 8 . ILE . 17282 1 9 . ASP . 17282 1 10 . HIS . 17282 1 11 . TYR . 17282 1 12 . GLU . 17282 1 13 . ASN . 17282 1 14 . PRO . 17282 1 15 . ARG . 17282 1 16 . ASN . 17282 1 17 . VAL . 17282 1 18 . GLY . 17282 1 19 . SER . 17282 1 20 . PHE . 17282 1 21 . ASP . 17282 1 22 . ASN . 17282 1 23 . ASN . 17282 1 24 . ASP . 17282 1 25 . GLU . 17282 1 26 . ASN . 17282 1 27 . VAL . 17282 1 28 . GLY . 17282 1 29 . SER . 17282 1 30 . GLY . 17282 1 31 . MET . 17282 1 32 . VAL . 17282 1 33 . GLY . 17282 1 34 . ALA . 17282 1 35 . PRO . 17282 1 36 . ALA . 17282 1 37 . CYS . 17282 1 38 . GLY . 17282 1 39 . ASP . 17282 1 40 . VAL . 17282 1 41 . MET . 17282 1 42 . LYS . 17282 1 43 . LEU . 17282 1 44 . GLN . 17282 1 45 . ILE . 17282 1 46 . LYS . 17282 1 47 . VAL . 17282 1 48 . ASN . 17282 1 49 . ASP . 17282 1 50 . GLU . 17282 1 51 . GLY . 17282 1 52 . ILE . 17282 1 53 . ILE . 17282 1 54 . GLU . 17282 1 55 . ASP . 17282 1 56 . ALA . 17282 1 57 . ARG . 17282 1 58 . PHE . 17282 1 59 . LYS . 17282 1 60 . THR . 17282 1 61 . TYR . 17282 1 62 . GLY . 17282 1 63 . CYS . 17282 1 64 . GLY . 17282 1 65 . SER . 17282 1 66 . ALA . 17282 1 67 . ILE . 17282 1 68 . ALA . 17282 1 69 . SER . 17282 1 70 . SER . 17282 1 71 . SER . 17282 1 72 . LEU . 17282 1 73 . VAL . 17282 1 74 . THR . 17282 1 75 . GLU . 17282 1 76 . TRP . 17282 1 77 . VAL . 17282 1 78 . LYS . 17282 1 79 . GLY . 17282 1 80 . LYS . 17282 1 81 . SER . 17282 1 82 . LEU . 17282 1 83 . ASP . 17282 1 84 . GLU . 17282 1 85 . ALA . 17282 1 86 . GLN . 17282 1 87 . ALA . 17282 1 88 . ILE . 17282 1 89 . LYS . 17282 1 90 . ASN . 17282 1 91 . THR . 17282 1 92 . ASP . 17282 1 93 . ILE . 17282 1 94 . ALA . 17282 1 95 . GLU . 17282 1 96 . GLU . 17282 1 97 . LEU . 17282 1 98 . GLU . 17282 1 99 . LEU . 17282 1 100 . PRO . 17282 1 101 . PRO . 17282 1 102 . VAL . 17282 1 103 . LYS . 17282 1 104 . ILE . 17282 1 105 . HIS . 17282 1 106 . CYS . 17282 1 107 . SER . 17282 1 108 . ILE . 17282 1 109 . LEU . 17282 1 110 . ALA . 17282 1 111 . GLU . 17282 1 112 . ASP . 17282 1 113 . ALA . 17282 1 114 . ILE . 17282 1 115 . LYS . 17282 1 116 . ALA . 17282 1 117 . ALA . 17282 1 118 . ILE . 17282 1 119 . ALA . 17282 1 120 . ASP . 17282 1 121 . TYR . 17282 1 122 . LYS . 17282 1 123 . SER . 17282 1 124 . LYS . 17282 1 125 . ARG . 17282 1 126 . GLU . 17282 1 127 . ALA . 17282 1 128 . LYS . 17282 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 17282 1 . ALA 2 2 17282 1 . TYR 3 3 17282 1 . SER 4 4 17282 1 . GLU 5 5 17282 1 . LYS 6 6 17282 1 . VAL 7 7 17282 1 . ILE 8 8 17282 1 . ASP 9 9 17282 1 . HIS 10 10 17282 1 . TYR 11 11 17282 1 . GLU 12 12 17282 1 . ASN 13 13 17282 1 . PRO 14 14 17282 1 . ARG 15 15 17282 1 . ASN 16 16 17282 1 . VAL 17 17 17282 1 . GLY 18 18 17282 1 . SER 19 19 17282 1 . PHE 20 20 17282 1 . ASP 21 21 17282 1 . ASN 22 22 17282 1 . ASN 23 23 17282 1 . ASP 24 24 17282 1 . GLU 25 25 17282 1 . ASN 26 26 17282 1 . VAL 27 27 17282 1 . GLY 28 28 17282 1 . SER 29 29 17282 1 . GLY 30 30 17282 1 . MET 31 31 17282 1 . VAL 32 32 17282 1 . GLY 33 33 17282 1 . ALA 34 34 17282 1 . PRO 35 35 17282 1 . ALA 36 36 17282 1 . CYS 37 37 17282 1 . GLY 38 38 17282 1 . ASP 39 39 17282 1 . VAL 40 40 17282 1 . MET 41 41 17282 1 . LYS 42 42 17282 1 . LEU 43 43 17282 1 . GLN 44 44 17282 1 . ILE 45 45 17282 1 . LYS 46 46 17282 1 . VAL 47 47 17282 1 . ASN 48 48 17282 1 . ASP 49 49 17282 1 . GLU 50 50 17282 1 . GLY 51 51 17282 1 . ILE 52 52 17282 1 . ILE 53 53 17282 1 . GLU 54 54 17282 1 . ASP 55 55 17282 1 . ALA 56 56 17282 1 . ARG 57 57 17282 1 . PHE 58 58 17282 1 . LYS 59 59 17282 1 . THR 60 60 17282 1 . TYR 61 61 17282 1 . GLY 62 62 17282 1 . CYS 63 63 17282 1 . GLY 64 64 17282 1 . SER 65 65 17282 1 . ALA 66 66 17282 1 . ILE 67 67 17282 1 . ALA 68 68 17282 1 . SER 69 69 17282 1 . SER 70 70 17282 1 . SER 71 71 17282 1 . LEU 72 72 17282 1 . VAL 73 73 17282 1 . THR 74 74 17282 1 . GLU 75 75 17282 1 . TRP 76 76 17282 1 . VAL 77 77 17282 1 . LYS 78 78 17282 1 . GLY 79 79 17282 1 . LYS 80 80 17282 1 . SER 81 81 17282 1 . LEU 82 82 17282 1 . ASP 83 83 17282 1 . GLU 84 84 17282 1 . ALA 85 85 17282 1 . GLN 86 86 17282 1 . ALA 87 87 17282 1 . ILE 88 88 17282 1 . LYS 89 89 17282 1 . ASN 90 90 17282 1 . THR 91 91 17282 1 . ASP 92 92 17282 1 . ILE 93 93 17282 1 . ALA 94 94 17282 1 . GLU 95 95 17282 1 . GLU 96 96 17282 1 . LEU 97 97 17282 1 . GLU 98 98 17282 1 . LEU 99 99 17282 1 . PRO 100 100 17282 1 . PRO 101 101 17282 1 . VAL 102 102 17282 1 . LYS 103 103 17282 1 . ILE 104 104 17282 1 . HIS 105 105 17282 1 . CYS 106 106 17282 1 . SER 107 107 17282 1 . ILE 108 108 17282 1 . LEU 109 109 17282 1 . ALA 110 110 17282 1 . GLU 111 111 17282 1 . ASP 112 112 17282 1 . ALA 113 113 17282 1 . ILE 114 114 17282 1 . LYS 115 115 17282 1 . ALA 116 116 17282 1 . ALA 117 117 17282 1 . ILE 118 118 17282 1 . ALA 119 119 17282 1 . ASP 120 120 17282 1 . TYR 121 121 17282 1 . LYS 122 122 17282 1 . SER 123 123 17282 1 . LYS 124 124 17282 1 . ARG 125 125 17282 1 . GLU 126 126 17282 1 . ALA 127 127 17282 1 . LYS 128 128 17282 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 17282 _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 . . . . . . . . . . . . . . . . . . . . . 17282 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 17282 _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 . . . . . . 17282 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-IscU _Sample.Sf_category sample _Sample.Sf_framecode 15N-IscU _Sample.Entry_ID 17282 _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-15N] . . 1 $IscU . . . 0.7 0.8 mM . . . . 17282 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17282 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17282 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17282 1 5 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 17282 1 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 17282 1 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17282 1 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17282 1 stop_ save_ save_15N-13C-IscU _Sample.Sf_category sample _Sample.Sf_framecode 15N-13C-IscU _Sample.Entry_ID 17282 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'For resonance assignment' _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 . . 1.4 . . mM . . . . 17282 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17282 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17282 2 4 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 17282 2 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17282 2 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 17282 2 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17282 2 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17282 2 stop_ save_ save_15N-IscU_aniso _Sample.Sf_category sample _Sample.Sf_framecode 15N-IscU_aniso _Sample.Entry_ID 17282 _Sample.ID 3 _Sample.Type 'filamentous virus' _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-15N] . . 1 $IscU . . . 0.7 0.8 mM . . . . 17282 3 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17282 3 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17282 3 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17282 3 5 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 17282 3 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 17282 3 7 'Pf1 phage' 'natural abundance' . . . . . . 12 . . mg/ml . . . . 17282 3 8 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17282 3 9 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17282 3 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 17282 _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' 150 . mM 17282 1 pH 8.0 . pH 17282 1 pressure 1 . atm 17282 1 temperature 298 . K 17282 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA_3.0_intel _Software.Sf_category software _Software.Sf_framecode CYANA_3.0_intel _Software.Entry_ID 17282 _Software.ID 1 _Software.Name CYANA_3.0_intel _Software.Version 3.0_intel _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P.GUNTERT ET AL.' . . 17282 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17282 1 'structure solution' 17282 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17282 _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 . . 17282 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17282 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17282 _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 . . 17282 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17282 3 'data analysis' 17282 3 'peak picking' 17282 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17282 _Software.ID 4 _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' . . 17282 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17282 4 processing 17282 4 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 17282 _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 17282 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17282 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17282 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 17282 _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 . . . 17282 1 2 spectrometer_2 Varian INOVA . 800 . . . 17282 1 3 spectrometer_3 Varian INOVA . 900 . . . 17282 1 4 spectrometer_4 Bruker DMX . 750 . . . 17282 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 17282 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N-13C-IscU isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17282 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $15N-13C-IscU isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17282 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N-IscU isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17282 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $15N-13C-IscU isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17282 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N-13C-IscU isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17282 1 6 '3D C(CO)NH' no . . . . . . . . . . 2 $15N-13C-IscU isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17282 1 7 '3D HNCO' no . . . . . . . . . . 2 $15N-13C-IscU isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17282 1 8 '3D HNCACB' no . . . . . . . . . . 2 $15N-13C-IscU isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17282 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $15N-13C-IscU isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17282 1 10 '3D H(CCO)NH' no . . . . . . . . . . 2 $15N-13C-IscU isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17282 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $15N-13C-IscU isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17282 1 12 '2D IPAP 1H-15N HSQC' no . . . . . . . . . . 3 $15N-IscU_aniso anisotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17282 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 17282 _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 . indirect 0.251449530 . . . . . . . . . 17282 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17282 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17282 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 17282 _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 3 '2D 1H-15N HSQC' . . . 17282 1 4 '2D 1H-13C HSQC' . . . 17282 1 5 '3D CBCA(CO)NH' . . . 17282 1 6 '3D C(CO)NH' . . . 17282 1 7 '3D HNCO' . . . 17282 1 8 '3D HNCACB' . . . 17282 1 9 '3D HBHA(CO)NH' . . . 17282 1 10 '3D H(CCO)NH' . . . 17282 1 11 '3D HCCH-TOCSY' . . . 17282 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 17282 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 5 5 GLU HA H 1 4.224 0.016 . 1 . . . . 5 GLU HA . 17282 1 2 . 1 1 5 5 GLU HB2 H 1 1.924 0.006 . 2 . . . . 5 GLU HB2 . 17282 1 3 . 1 1 5 5 GLU HB3 H 1 2.049 0.007 . 2 . . . . 5 GLU HB3 . 17282 1 4 . 1 1 5 5 GLU HG2 H 1 2.265 0.005 . 2 . . . . 5 GLU QG . 17282 1 5 . 1 1 5 5 GLU HG3 H 1 2.265 0.005 . 2 . . . . 5 GLU QG . 17282 1 6 . 1 1 5 5 GLU C C 13 176.109 0.000 . 1 . . . . 5 GLU C . 17282 1 7 . 1 1 5 5 GLU CA C 13 56.539 0.108 . 1 . . . . 5 GLU CA . 17282 1 8 . 1 1 5 5 GLU CB C 13 30.314 0.071 . 1 . . . . 5 GLU CB . 17282 1 9 . 1 1 5 5 GLU CG C 13 36.172 0.014 . 1 . . . . 5 GLU CG . 17282 1 10 . 1 1 6 6 LYS H H 1 8.233 0.007 . 1 . . . . 6 LYS H . 17282 1 11 . 1 1 6 6 LYS HA H 1 4.283 0.024 . 1 . . . . 6 LYS HA . 17282 1 12 . 1 1 6 6 LYS HB2 H 1 1.736 0.016 . 2 . . . . 6 LYS QB . 17282 1 13 . 1 1 6 6 LYS HB3 H 1 1.736 0.016 . 2 . . . . 6 LYS QB . 17282 1 14 . 1 1 6 6 LYS HG2 H 1 1.393 0.005 . 2 . . . . 6 LYS QG . 17282 1 15 . 1 1 6 6 LYS HG3 H 1 1.393 0.005 . 2 . . . . 6 LYS QG . 17282 1 16 . 1 1 6 6 LYS C C 13 176.212 0.000 . 1 . . . . 6 LYS C . 17282 1 17 . 1 1 6 6 LYS CA C 13 56.163 0.052 . 1 . . . . 6 LYS CA . 17282 1 18 . 1 1 6 6 LYS CB C 13 33.069 0.061 . 1 . . . . 6 LYS CB . 17282 1 19 . 1 1 6 6 LYS CG C 13 24.660 0.072 . 1 . . . . 6 LYS CG . 17282 1 20 . 1 1 6 6 LYS CD C 13 29.002 0.055 . 1 . . . . 6 LYS CD . 17282 1 21 . 1 1 6 6 LYS CE C 13 42.066 0.044 . 1 . . . . 6 LYS CE . 17282 1 22 . 1 1 6 6 LYS N N 15 122.310 0.057 . 1 . . . . 6 LYS N . 17282 1 23 . 1 1 7 7 VAL H H 1 8.185 0.010 . 1 . . . . 7 VAL H . 17282 1 24 . 1 1 7 7 VAL HA H 1 4.058 0.010 . 1 . . . . 7 VAL HA . 17282 1 25 . 1 1 7 7 VAL HB H 1 1.996 0.010 . 1 . . . . 7 VAL HB . 17282 1 26 . 1 1 7 7 VAL HG11 H 1 0.893 0.012 . 2 . . . . 7 VAL QQG . 17282 1 27 . 1 1 7 7 VAL HG12 H 1 0.893 0.012 . 2 . . . . 7 VAL QQG . 17282 1 28 . 1 1 7 7 VAL HG13 H 1 0.893 0.012 . 2 . . . . 7 VAL QQG . 17282 1 29 . 1 1 7 7 VAL HG21 H 1 0.893 0.012 . 2 . . . . 7 VAL QQG . 17282 1 30 . 1 1 7 7 VAL HG22 H 1 0.893 0.012 . 2 . . . . 7 VAL QQG . 17282 1 31 . 1 1 7 7 VAL HG23 H 1 0.893 0.012 . 2 . . . . 7 VAL QQG . 17282 1 32 . 1 1 7 7 VAL C C 13 175.976 0.000 . 1 . . . . 7 VAL C . 17282 1 33 . 1 1 7 7 VAL CA C 13 62.394 0.085 . 1 . . . . 7 VAL CA . 17282 1 34 . 1 1 7 7 VAL CB C 13 32.667 0.081 . 1 . . . . 7 VAL CB . 17282 1 35 . 1 1 7 7 VAL CG1 C 13 20.977 0.232 . 2 . . . . 7 VAL CG1 . 17282 1 36 . 1 1 7 7 VAL N N 15 122.973 0.057 . 1 . . . . 7 VAL N . 17282 1 37 . 1 1 8 8 ILE H H 1 8.204 0.006 . 1 . . . . 8 ILE H . 17282 1 38 . 1 1 8 8 ILE HA H 1 4.124 0.011 . 1 . . . . 8 ILE HA . 17282 1 39 . 1 1 8 8 ILE HB H 1 1.785 0.022 . 1 . . . . 8 ILE HB . 17282 1 40 . 1 1 8 8 ILE HG21 H 1 0.771 0.015 . 1 . . . . 8 ILE QG2 . 17282 1 41 . 1 1 8 8 ILE HG22 H 1 0.771 0.015 . 1 . . . . 8 ILE QG2 . 17282 1 42 . 1 1 8 8 ILE HG23 H 1 0.771 0.015 . 1 . . . . 8 ILE QG2 . 17282 1 43 . 1 1 8 8 ILE HD11 H 1 0.818 0.016 . 1 . . . . 8 ILE QD1 . 17282 1 44 . 1 1 8 8 ILE HD12 H 1 0.818 0.016 . 1 . . . . 8 ILE QD1 . 17282 1 45 . 1 1 8 8 ILE HD13 H 1 0.818 0.016 . 1 . . . . 8 ILE QD1 . 17282 1 46 . 1 1 8 8 ILE CA C 13 60.898 0.106 . 1 . . . . 8 ILE CA . 17282 1 47 . 1 1 8 8 ILE CB C 13 38.722 0.087 . 1 . . . . 8 ILE CB . 17282 1 48 . 1 1 8 8 ILE CG1 C 13 27.096 0.062 . 1 . . . . 8 ILE CG1 . 17282 1 49 . 1 1 8 8 ILE CG2 C 13 17.486 0.108 . 1 . . . . 8 ILE CG2 . 17282 1 50 . 1 1 8 8 ILE CD1 C 13 12.879 0.110 . 1 . . . . 8 ILE CD1 . 17282 1 51 . 1 1 8 8 ILE N N 15 125.054 0.046 . 1 . . . . 8 ILE N . 17282 1 52 . 1 1 9 9 ASP H H 1 8.277 0.009 . 1 . . . . 9 ASP H . 17282 1 53 . 1 1 9 9 ASP HA H 1 4.544 0.006 . 1 . . . . 9 ASP HA . 17282 1 54 . 1 1 9 9 ASP CA C 13 54.261 0.154 . 1 . . . . 9 ASP CA . 17282 1 55 . 1 1 9 9 ASP CB C 13 41.401 0.005 . 1 . . . . 9 ASP CB . 17282 1 56 . 1 1 9 9 ASP N N 15 124.472 0.097 . 1 . . . . 9 ASP N . 17282 1 57 . 1 1 14 14 PRO HA H 1 4.705 0.014 . 1 . . . . 14 PRO HA . 17282 1 58 . 1 1 14 14 PRO CA C 13 63.626 0.043 . 1 . . . . 14 PRO CA . 17282 1 59 . 1 1 15 15 ARG H H 1 9.334 0.023 . 1 . . . . 15 ARG H . 17282 1 60 . 1 1 15 15 ARG HA H 1 4.324 0.011 . 1 . . . . 15 ARG HA . 17282 1 61 . 1 1 15 15 ARG HB2 H 1 1.915 0.014 . 2 . . . . 15 ARG QB . 17282 1 62 . 1 1 15 15 ARG HB3 H 1 1.915 0.014 . 2 . . . . 15 ARG QB . 17282 1 63 . 1 1 15 15 ARG HG2 H 1 1.707 0.012 . 2 . . . . 15 ARG QG . 17282 1 64 . 1 1 15 15 ARG HG3 H 1 1.707 0.012 . 2 . . . . 15 ARG QG . 17282 1 65 . 1 1 15 15 ARG HD2 H 1 3.047 0.009 . 2 . . . . 15 ARG HD2 . 17282 1 66 . 1 1 15 15 ARG HD3 H 1 3.267 0.014 . 2 . . . . 15 ARG HD3 . 17282 1 67 . 1 1 15 15 ARG C C 13 174.838 0.000 . 1 . . . . 15 ARG C . 17282 1 68 . 1 1 15 15 ARG CA C 13 55.563 0.209 . 1 . . . . 15 ARG CA . 17282 1 69 . 1 1 15 15 ARG CD C 13 43.904 0.136 . 1 . . . . 15 ARG CD . 17282 1 70 . 1 1 15 15 ARG N N 15 123.563 0.046 . 1 . . . . 15 ARG N . 17282 1 71 . 1 1 16 16 ASN H H 1 8.258 0.005 . 1 . . . . 16 ASN H . 17282 1 72 . 1 1 16 16 ASN HA H 1 4.183 0.022 . 1 . . . . 16 ASN HA . 17282 1 73 . 1 1 16 16 ASN HB2 H 1 3.559 0.000 . 2 . . . . 16 ASN QB . 17282 1 74 . 1 1 16 16 ASN HB3 H 1 3.559 0.000 . 2 . . . . 16 ASN QB . 17282 1 75 . 1 1 16 16 ASN C C 13 174.096 0.000 . 1 . . . . 16 ASN C . 17282 1 76 . 1 1 16 16 ASN CA C 13 54.199 0.166 . 1 . . . . 16 ASN CA . 17282 1 77 . 1 1 16 16 ASN CB C 13 37.147 0.000 . 1 . . . . 16 ASN CB . 17282 1 78 . 1 1 16 16 ASN N N 15 109.270 0.038 . 1 . . . . 16 ASN N . 17282 1 79 . 1 1 17 17 VAL H H 1 7.731 0.013 . 1 . . . . 17 VAL H . 17282 1 80 . 1 1 17 17 VAL HA H 1 3.501 0.006 . 1 . . . . 17 VAL HA . 17282 1 81 . 1 1 17 17 VAL HB H 1 1.708 0.005 . 1 . . . . 17 VAL HB . 17282 1 82 . 1 1 17 17 VAL HG11 H 1 0.674 0.009 . 2 . . . . 17 VAL QG1 . 17282 1 83 . 1 1 17 17 VAL HG12 H 1 0.674 0.009 . 2 . . . . 17 VAL QG1 . 17282 1 84 . 1 1 17 17 VAL HG13 H 1 0.674 0.009 . 2 . . . . 17 VAL QG1 . 17282 1 85 . 1 1 17 17 VAL HG21 H 1 0.547 0.010 . 2 . . . . 17 VAL QG2 . 17282 1 86 . 1 1 17 17 VAL HG22 H 1 0.547 0.010 . 2 . . . . 17 VAL QG2 . 17282 1 87 . 1 1 17 17 VAL HG23 H 1 0.547 0.010 . 2 . . . . 17 VAL QG2 . 17282 1 88 . 1 1 17 17 VAL C C 13 177.824 0.000 . 1 . . . . 17 VAL C . 17282 1 89 . 1 1 17 17 VAL CA C 13 62.465 0.067 . 1 . . . . 17 VAL CA . 17282 1 90 . 1 1 17 17 VAL CB C 13 31.508 0.097 . 1 . . . . 17 VAL CB . 17282 1 91 . 1 1 17 17 VAL CG1 C 13 20.935 0.192 . 2 . . . . 17 VAL CG1 . 17282 1 92 . 1 1 17 17 VAL CG2 C 13 22.469 0.059 . 2 . . . . 17 VAL CG2 . 17282 1 93 . 1 1 17 17 VAL N N 15 118.517 0.099 . 1 . . . . 17 VAL N . 17282 1 94 . 1 1 18 18 GLY H H 1 8.557 0.007 . 1 . . . . 18 GLY H . 17282 1 95 . 1 1 18 18 GLY HA2 H 1 3.519 0.016 . 2 . . . . 18 GLY HA2 . 17282 1 96 . 1 1 18 18 GLY HA3 H 1 4.341 0.012 . 2 . . . . 18 GLY HA3 . 17282 1 97 . 1 1 18 18 GLY C C 13 170.282 0.000 . 1 . . . . 18 GLY C . 17282 1 98 . 1 1 18 18 GLY CA C 13 44.587 0.113 . 1 . . . . 18 GLY CA . 17282 1 99 . 1 1 18 18 GLY N N 15 115.046 0.035 . 1 . . . . 18 GLY N . 17282 1 100 . 1 1 19 19 SER H H 1 8.033 0.009 . 1 . . . . 19 SER H . 17282 1 101 . 1 1 19 19 SER HA H 1 4.364 0.010 . 1 . . . . 19 SER HA . 17282 1 102 . 1 1 19 19 SER HB2 H 1 3.659 0.010 . 2 . . . . 19 SER QB . 17282 1 103 . 1 1 19 19 SER HB3 H 1 3.659 0.010 . 2 . . . . 19 SER QB . 17282 1 104 . 1 1 19 19 SER C C 13 172.987 0.000 . 1 . . . . 19 SER C . 17282 1 105 . 1 1 19 19 SER CA C 13 56.870 0.138 . 1 . . . . 19 SER CA . 17282 1 106 . 1 1 19 19 SER CB C 13 66.038 0.152 . 1 . . . . 19 SER CB . 17282 1 107 . 1 1 19 19 SER N N 15 112.075 0.063 . 1 . . . . 19 SER N . 17282 1 108 . 1 1 20 20 PHE H H 1 8.820 0.006 . 1 . . . . 20 PHE H . 17282 1 109 . 1 1 20 20 PHE HA H 1 4.889 0.017 . 1 . . . . 20 PHE HA . 17282 1 110 . 1 1 20 20 PHE HB2 H 1 2.310 0.009 . 2 . . . . 20 PHE HB2 . 17282 1 111 . 1 1 20 20 PHE HB3 H 1 3.391 0.007 . 2 . . . . 20 PHE HB3 . 17282 1 112 . 1 1 20 20 PHE HD1 H 1 7.053 0.021 . 3 . . . . 20 PHE QD . 17282 1 113 . 1 1 20 20 PHE HD2 H 1 7.053 0.021 . 3 . . . . 20 PHE QD . 17282 1 114 . 1 1 20 20 PHE CA C 13 55.439 0.061 . 1 . . . . 20 PHE CA . 17282 1 115 . 1 1 20 20 PHE CB C 13 42.067 0.107 . 1 . . . . 20 PHE CB . 17282 1 116 . 1 1 20 20 PHE N N 15 120.479 0.046 . 1 . . . . 20 PHE N . 17282 1 117 . 1 1 23 23 ASN HA H 1 4.617 0.009 . 1 . . . . 23 ASN HA . 17282 1 118 . 1 1 23 23 ASN HB2 H 1 2.761 0.015 . 2 . . . . 23 ASN HB2 . 17282 1 119 . 1 1 23 23 ASN HB3 H 1 2.844 0.009 . 2 . . . . 23 ASN HB3 . 17282 1 120 . 1 1 23 23 ASN HD21 H 1 7.797 0.004 . 2 . . . . 23 ASN HD21 . 17282 1 121 . 1 1 23 23 ASN HD22 H 1 6.912 0.005 . 2 . . . . 23 ASN HD22 . 17282 1 122 . 1 1 23 23 ASN C C 13 175.361 0.000 . 1 . . . . 23 ASN C . 17282 1 123 . 1 1 23 23 ASN CA C 13 53.175 0.145 . 1 . . . . 23 ASN CA . 17282 1 124 . 1 1 23 23 ASN CB C 13 38.413 0.132 . 1 . . . . 23 ASN CB . 17282 1 125 . 1 1 23 23 ASN ND2 N 15 114.040 0.100 . 1 . . . . 23 ASN ND2 . 17282 1 126 . 1 1 24 24 ASP H H 1 7.509 0.005 . 1 . . . . 24 ASP H . 17282 1 127 . 1 1 24 24 ASP HA H 1 4.467 0.011 . 1 . . . . 24 ASP HA . 17282 1 128 . 1 1 24 24 ASP HB2 H 1 2.660 0.013 . 2 . . . . 24 ASP HB2 . 17282 1 129 . 1 1 24 24 ASP HB3 H 1 2.762 0.017 . 2 . . . . 24 ASP HB3 . 17282 1 130 . 1 1 24 24 ASP C C 13 177.715 0.000 . 1 . . . . 24 ASP C . 17282 1 131 . 1 1 24 24 ASP CA C 13 54.762 0.091 . 1 . . . . 24 ASP CA . 17282 1 132 . 1 1 24 24 ASP CB C 13 41.483 0.146 . 1 . . . . 24 ASP CB . 17282 1 133 . 1 1 24 24 ASP N N 15 122.360 0.031 . 1 . . . . 24 ASP N . 17282 1 134 . 1 1 25 25 GLU H H 1 9.032 0.009 . 1 . . . . 25 GLU H . 17282 1 135 . 1 1 25 25 GLU HA H 1 4.163 0.014 . 1 . . . . 25 GLU HA . 17282 1 136 . 1 1 25 25 GLU HB2 H 1 2.020 0.013 . 2 . . . . 25 GLU HB2 . 17282 1 137 . 1 1 25 25 GLU HB3 H 1 2.103 0.015 . 2 . . . . 25 GLU HB3 . 17282 1 138 . 1 1 25 25 GLU HG2 H 1 2.297 0.011 . 2 . . . . 25 GLU QG . 17282 1 139 . 1 1 25 25 GLU HG3 H 1 2.297 0.011 . 2 . . . . 25 GLU QG . 17282 1 140 . 1 1 25 25 GLU C C 13 175.744 0.000 . 1 . . . . 25 GLU C . 17282 1 141 . 1 1 25 25 GLU CA C 13 58.332 0.116 . 1 . . . . 25 GLU CA . 17282 1 142 . 1 1 25 25 GLU CB C 13 29.441 0.052 . 1 . . . . 25 GLU CB . 17282 1 143 . 1 1 25 25 GLU CG C 13 36.166 0.150 . 1 . . . . 25 GLU CG . 17282 1 144 . 1 1 25 25 GLU N N 15 125.248 0.033 . 1 . . . . 25 GLU N . 17282 1 145 . 1 1 26 26 ASN H H 1 8.749 0.009 . 1 . . . . 26 ASN H . 17282 1 146 . 1 1 26 26 ASN HA H 1 5.023 0.008 . 1 . . . . 26 ASN HA . 17282 1 147 . 1 1 26 26 ASN HB2 H 1 2.973 0.010 . 2 . . . . 26 ASN HB2 . 17282 1 148 . 1 1 26 26 ASN HB3 H 1 3.340 0.008 . 2 . . . . 26 ASN HB3 . 17282 1 149 . 1 1 26 26 ASN HD21 H 1 7.701 0.006 . 2 . . . . 26 ASN HD21 . 17282 1 150 . 1 1 26 26 ASN HD22 H 1 6.924 0.017 . 2 . . . . 26 ASN HD22 . 17282 1 151 . 1 1 26 26 ASN C C 13 172.989 0.000 . 1 . . . . 26 ASN C . 17282 1 152 . 1 1 26 26 ASN CA C 13 53.056 0.097 . 1 . . . . 26 ASN CA . 17282 1 153 . 1 1 26 26 ASN CB C 13 38.350 0.166 . 1 . . . . 26 ASN CB . 17282 1 154 . 1 1 26 26 ASN N N 15 115.896 0.026 . 1 . . . . 26 ASN N . 17282 1 155 . 1 1 26 26 ASN ND2 N 15 114.356 0.056 . 1 . . . . 26 ASN ND2 . 17282 1 156 . 1 1 27 27 VAL H H 1 7.357 0.007 . 1 . . . . 27 VAL H . 17282 1 157 . 1 1 27 27 VAL HA H 1 5.339 0.008 . 1 . . . . 27 VAL HA . 17282 1 158 . 1 1 27 27 VAL HB H 1 1.977 0.010 . 1 . . . . 27 VAL HB . 17282 1 159 . 1 1 27 27 VAL HG11 H 1 0.607 0.006 . 2 . . . . 27 VAL QG1 . 17282 1 160 . 1 1 27 27 VAL HG12 H 1 0.607 0.006 . 2 . . . . 27 VAL QG1 . 17282 1 161 . 1 1 27 27 VAL HG13 H 1 0.607 0.006 . 2 . . . . 27 VAL QG1 . 17282 1 162 . 1 1 27 27 VAL HG21 H 1 0.872 0.009 . 2 . . . . 27 VAL QG2 . 17282 1 163 . 1 1 27 27 VAL HG22 H 1 0.872 0.009 . 2 . . . . 27 VAL QG2 . 17282 1 164 . 1 1 27 27 VAL HG23 H 1 0.872 0.009 . 2 . . . . 27 VAL QG2 . 17282 1 165 . 1 1 27 27 VAL C C 13 176.943 0.000 . 1 . . . . 27 VAL C . 17282 1 166 . 1 1 27 27 VAL CA C 13 60.007 0.085 . 1 . . . . 27 VAL CA . 17282 1 167 . 1 1 27 27 VAL CB C 13 35.208 0.078 . 1 . . . . 27 VAL CB . 17282 1 168 . 1 1 27 27 VAL CG1 C 13 22.144 0.078 . 2 . . . . 27 VAL CG1 . 17282 1 169 . 1 1 27 27 VAL CG2 C 13 21.673 0.177 . 2 . . . . 27 VAL CG2 . 17282 1 170 . 1 1 27 27 VAL N N 15 118.976 0.019 . 1 . . . . 27 VAL N . 17282 1 171 . 1 1 28 28 GLY H H 1 8.809 0.006 . 1 . . . . 28 GLY H . 17282 1 172 . 1 1 28 28 GLY HA2 H 1 3.831 0.013 . 2 . . . . 28 GLY HA2 . 17282 1 173 . 1 1 28 28 GLY HA3 H 1 5.109 0.007 . 2 . . . . 28 GLY HA3 . 17282 1 174 . 1 1 28 28 GLY C C 13 173.100 0.000 . 1 . . . . 28 GLY C . 17282 1 175 . 1 1 28 28 GLY CA C 13 44.297 0.111 . 1 . . . . 28 GLY CA . 17282 1 176 . 1 1 28 28 GLY N N 15 112.401 0.023 . 1 . . . . 28 GLY N . 17282 1 177 . 1 1 29 29 SER H H 1 10.447 0.006 . 1 . . . . 29 SER H . 17282 1 178 . 1 1 29 29 SER HA H 1 5.440 0.011 . 1 . . . . 29 SER HA . 17282 1 179 . 1 1 29 29 SER HB2 H 1 3.731 0.007 . 2 . . . . 29 SER QB . 17282 1 180 . 1 1 29 29 SER HB3 H 1 3.731 0.007 . 2 . . . . 29 SER QB . 17282 1 181 . 1 1 29 29 SER C C 13 172.427 0.000 . 1 . . . . 29 SER C . 17282 1 182 . 1 1 29 29 SER CA C 13 57.611 0.073 . 1 . . . . 29 SER CA . 17282 1 183 . 1 1 29 29 SER CB C 13 64.717 0.171 . 1 . . . . 29 SER CB . 17282 1 184 . 1 1 29 29 SER N N 15 121.005 0.026 . 1 . . . . 29 SER N . 17282 1 185 . 1 1 30 30 GLY H H 1 9.517 0.010 . 1 . . . . 30 GLY H . 17282 1 186 . 1 1 30 30 GLY HA2 H 1 3.629 0.012 . 2 . . . . 30 GLY HA2 . 17282 1 187 . 1 1 30 30 GLY HA3 H 1 4.504 0.012 . 2 . . . . 30 GLY HA3 . 17282 1 188 . 1 1 30 30 GLY C C 13 171.137 0.000 . 1 . . . . 30 GLY C . 17282 1 189 . 1 1 30 30 GLY CA C 13 44.627 0.082 . 1 . . . . 30 GLY CA . 17282 1 190 . 1 1 30 30 GLY N N 15 112.807 0.027 . 1 . . . . 30 GLY N . 17282 1 191 . 1 1 31 31 MET H H 1 8.686 0.008 . 1 . . . . 31 MET H . 17282 1 192 . 1 1 31 31 MET HA H 1 5.579 0.004 . 1 . . . . 31 MET HA . 17282 1 193 . 1 1 31 31 MET HB2 H 1 1.812 0.011 . 2 . . . . 31 MET HB2 . 17282 1 194 . 1 1 31 31 MET HB3 H 1 2.088 0.010 . 2 . . . . 31 MET HB3 . 17282 1 195 . 1 1 31 31 MET HG2 H 1 2.349 0.008 . 2 . . . . 31 MET QG . 17282 1 196 . 1 1 31 31 MET HG3 H 1 2.349 0.008 . 2 . . . . 31 MET QG . 17282 1 197 . 1 1 31 31 MET HE1 H 1 2.040 0.006 . 1 . . . . 31 MET QE . 17282 1 198 . 1 1 31 31 MET HE2 H 1 2.040 0.006 . 1 . . . . 31 MET QE . 17282 1 199 . 1 1 31 31 MET HE3 H 1 2.040 0.006 . 1 . . . . 31 MET QE . 17282 1 200 . 1 1 31 31 MET C C 13 174.679 0.000 . 1 . . . . 31 MET C . 17282 1 201 . 1 1 31 31 MET CA C 13 55.067 0.049 . 1 . . . . 31 MET CA . 17282 1 202 . 1 1 31 31 MET CB C 13 34.862 0.149 . 1 . . . . 31 MET CB . 17282 1 203 . 1 1 31 31 MET CG C 13 32.016 0.109 . 1 . . . . 31 MET CG . 17282 1 204 . 1 1 31 31 MET CE C 13 17.361 0.055 . 1 . . . . 31 MET CE . 17282 1 205 . 1 1 31 31 MET N N 15 125.364 0.020 . 1 . . . . 31 MET N . 17282 1 206 . 1 1 32 32 VAL H H 1 8.892 0.010 . 1 . . . . 32 VAL H . 17282 1 207 . 1 1 32 32 VAL HA H 1 4.742 0.009 . 1 . . . . 32 VAL HA . 17282 1 208 . 1 1 32 32 VAL HB H 1 2.246 0.014 . 1 . . . . 32 VAL HB . 17282 1 209 . 1 1 32 32 VAL HG11 H 1 0.906 0.006 . 2 . . . . 32 VAL QG1 . 17282 1 210 . 1 1 32 32 VAL HG12 H 1 0.906 0.006 . 2 . . . . 32 VAL QG1 . 17282 1 211 . 1 1 32 32 VAL HG13 H 1 0.906 0.006 . 2 . . . . 32 VAL QG1 . 17282 1 212 . 1 1 32 32 VAL HG21 H 1 0.860 0.014 . 2 . . . . 32 VAL QG2 . 17282 1 213 . 1 1 32 32 VAL HG22 H 1 0.860 0.014 . 2 . . . . 32 VAL QG2 . 17282 1 214 . 1 1 32 32 VAL HG23 H 1 0.860 0.014 . 2 . . . . 32 VAL QG2 . 17282 1 215 . 1 1 32 32 VAL C C 13 173.953 0.000 . 1 . . . . 32 VAL C . 17282 1 216 . 1 1 32 32 VAL CA C 13 59.482 0.113 . 1 . . . . 32 VAL CA . 17282 1 217 . 1 1 32 32 VAL CB C 13 35.838 0.116 . 1 . . . . 32 VAL CB . 17282 1 218 . 1 1 32 32 VAL CG1 C 13 20.390 0.206 . 2 . . . . 32 VAL CG1 . 17282 1 219 . 1 1 32 32 VAL CG2 C 13 21.941 0.120 . 2 . . . . 32 VAL CG2 . 17282 1 220 . 1 1 32 32 VAL N N 15 120.173 0.030 . 1 . . . . 32 VAL N . 17282 1 221 . 1 1 33 33 GLY H H 1 8.388 0.007 . 1 . . . . 33 GLY H . 17282 1 222 . 1 1 33 33 GLY HA2 H 1 4.237 0.014 . 2 . . . . 33 GLY HA2 . 17282 1 223 . 1 1 33 33 GLY HA3 H 1 4.441 0.013 . 2 . . . . 33 GLY HA3 . 17282 1 224 . 1 1 33 33 GLY C C 13 172.422 0.000 . 1 . . . . 33 GLY C . 17282 1 225 . 1 1 33 33 GLY CA C 13 44.621 0.097 . 1 . . . . 33 GLY CA . 17282 1 226 . 1 1 33 33 GLY N N 15 108.608 0.020 . 1 . . . . 33 GLY N . 17282 1 227 . 1 1 34 34 ALA H H 1 8.389 0.005 . 1 . . . . 34 ALA H . 17282 1 228 . 1 1 34 34 ALA HA H 1 4.935 0.006 . 1 . . . . 34 ALA HA . 17282 1 229 . 1 1 34 34 ALA HB1 H 1 1.441 0.013 . 1 . . . . 34 ALA QB . 17282 1 230 . 1 1 34 34 ALA HB2 H 1 1.441 0.013 . 1 . . . . 34 ALA QB . 17282 1 231 . 1 1 34 34 ALA HB3 H 1 1.441 0.013 . 1 . . . . 34 ALA QB . 17282 1 232 . 1 1 34 34 ALA CA C 13 49.269 0.156 . 1 . . . . 34 ALA CA . 17282 1 233 . 1 1 34 34 ALA CB C 13 19.986 0.105 . 1 . . . . 34 ALA CB . 17282 1 234 . 1 1 34 34 ALA N N 15 123.607 0.019 . 1 . . . . 34 ALA N . 17282 1 235 . 1 1 35 35 PRO HA H 1 4.402 0.009 . 1 . . . . 35 PRO HA . 17282 1 236 . 1 1 35 35 PRO HB2 H 1 1.916 0.007 . 2 . . . . 35 PRO HB2 . 17282 1 237 . 1 1 35 35 PRO HB3 H 1 2.277 0.009 . 2 . . . . 35 PRO HB3 . 17282 1 238 . 1 1 35 35 PRO HG2 H 1 1.998 0.010 . 2 . . . . 35 PRO QG . 17282 1 239 . 1 1 35 35 PRO HG3 H 1 1.998 0.010 . 2 . . . . 35 PRO QG . 17282 1 240 . 1 1 35 35 PRO HD2 H 1 3.608 0.009 . 2 . . . . 35 PRO HD2 . 17282 1 241 . 1 1 35 35 PRO HD3 H 1 3.777 0.015 . 2 . . . . 35 PRO HD3 . 17282 1 242 . 1 1 35 35 PRO C C 13 176.765 0.000 . 1 . . . . 35 PRO C . 17282 1 243 . 1 1 35 35 PRO CA C 13 63.081 0.133 . 1 . . . . 35 PRO CA . 17282 1 244 . 1 1 35 35 PRO CB C 13 32.049 0.040 . 1 . . . . 35 PRO CB . 17282 1 245 . 1 1 35 35 PRO CG C 13 27.377 0.040 . 1 . . . . 35 PRO CG . 17282 1 246 . 1 1 35 35 PRO CD C 13 50.498 0.199 . 1 . . . . 35 PRO CD . 17282 1 247 . 1 1 36 36 ALA H H 1 8.466 0.007 . 1 . . . . 36 ALA H . 17282 1 248 . 1 1 36 36 ALA CA C 13 52.440 0.007 . 1 . . . . 36 ALA CA . 17282 1 249 . 1 1 36 36 ALA CB C 13 19.217 0.000 . 1 . . . . 36 ALA CB . 17282 1 250 . 1 1 36 36 ALA N N 15 124.570 0.028 . 1 . . . . 36 ALA N . 17282 1 251 . 1 1 40 40 VAL C C 13 174.316 0.000 . 1 . . . . 40 VAL C . 17282 1 252 . 1 1 41 41 MET H H 1 8.884 0.013 . 1 . . . . 41 MET H . 17282 1 253 . 1 1 41 41 MET HA H 1 5.057 0.007 . 1 . . . . 41 MET HA . 17282 1 254 . 1 1 41 41 MET HB2 H 1 1.698 0.010 . 2 . . . . 41 MET QB . 17282 1 255 . 1 1 41 41 MET HB3 H 1 1.698 0.010 . 2 . . . . 41 MET QB . 17282 1 256 . 1 1 41 41 MET HG2 H 1 2.147 0.008 . 2 . . . . 41 MET HG2 . 17282 1 257 . 1 1 41 41 MET HG3 H 1 2.334 0.016 . 2 . . . . 41 MET HG3 . 17282 1 258 . 1 1 41 41 MET HE1 H 1 1.917 0.006 . 1 . . . . 41 MET QE . 17282 1 259 . 1 1 41 41 MET HE2 H 1 1.917 0.006 . 1 . . . . 41 MET QE . 17282 1 260 . 1 1 41 41 MET HE3 H 1 1.917 0.006 . 1 . . . . 41 MET QE . 17282 1 261 . 1 1 41 41 MET CA C 13 55.025 0.050 . 1 . . . . 41 MET CA . 17282 1 262 . 1 1 41 41 MET CB C 13 36.474 0.067 . 1 . . . . 41 MET CB . 17282 1 263 . 1 1 41 41 MET CG C 13 31.560 0.150 . 1 . . . . 41 MET CG . 17282 1 264 . 1 1 41 41 MET CE C 13 17.630 0.050 . 1 . . . . 41 MET CE . 17282 1 265 . 1 1 41 41 MET N N 15 126.340 0.036 . 1 . . . . 41 MET N . 17282 1 266 . 1 1 42 42 LYS HA H 1 5.397 0.005 . 1 . . . . 42 LYS HA . 17282 1 267 . 1 1 42 42 LYS HB2 H 1 1.805 0.017 . 2 . . . . 42 LYS HB2 . 17282 1 268 . 1 1 42 42 LYS HB3 H 1 2.158 0.020 . 2 . . . . 42 LYS HB3 . 17282 1 269 . 1 1 42 42 LYS HG2 H 1 1.212 0.008 . 2 . . . . 42 LYS HG2 . 17282 1 270 . 1 1 42 42 LYS HG3 H 1 1.341 0.011 . 2 . . . . 42 LYS HG3 . 17282 1 271 . 1 1 42 42 LYS HD2 H 1 1.695 0.005 . 2 . . . . 42 LYS QD . 17282 1 272 . 1 1 42 42 LYS HD3 H 1 1.695 0.005 . 2 . . . . 42 LYS QD . 17282 1 273 . 1 1 42 42 LYS HE2 H 1 2.805 0.013 . 2 . . . . 42 LYS HE2 . 17282 1 274 . 1 1 42 42 LYS HE3 H 1 2.913 0.007 . 2 . . . . 42 LYS HE3 . 17282 1 275 . 1 1 42 42 LYS C C 13 174.312 0.000 . 1 . . . . 42 LYS C . 17282 1 276 . 1 1 42 42 LYS CA C 13 54.919 0.085 . 1 . . . . 42 LYS CA . 17282 1 277 . 1 1 42 42 LYS CB C 13 34.480 0.095 . 1 . . . . 42 LYS CB . 17282 1 278 . 1 1 42 42 LYS CG C 13 25.639 0.115 . 1 . . . . 42 LYS CG . 17282 1 279 . 1 1 42 42 LYS CD C 13 30.247 0.026 . 1 . . . . 42 LYS CD . 17282 1 280 . 1 1 42 42 LYS CE C 13 42.303 0.053 . 1 . . . . 42 LYS CE . 17282 1 281 . 1 1 43 43 LEU H H 1 8.963 0.008 . 1 . . . . 43 LEU H . 17282 1 282 . 1 1 43 43 LEU HA H 1 5.205 0.006 . 1 . . . . 43 LEU HA . 17282 1 283 . 1 1 43 43 LEU HB2 H 1 1.292 0.006 . 2 . . . . 43 LEU HB2 . 17282 1 284 . 1 1 43 43 LEU HB3 H 1 1.520 0.014 . 2 . . . . 43 LEU HB3 . 17282 1 285 . 1 1 43 43 LEU HG H 1 1.535 0.008 . 1 . . . . 43 LEU HG . 17282 1 286 . 1 1 43 43 LEU HD11 H 1 0.747 0.009 . 2 . . . . 43 LEU QD1 . 17282 1 287 . 1 1 43 43 LEU HD12 H 1 0.747 0.009 . 2 . . . . 43 LEU QD1 . 17282 1 288 . 1 1 43 43 LEU HD13 H 1 0.747 0.009 . 2 . . . . 43 LEU QD1 . 17282 1 289 . 1 1 43 43 LEU HD21 H 1 0.806 0.012 . 2 . . . . 43 LEU QD2 . 17282 1 290 . 1 1 43 43 LEU HD22 H 1 0.806 0.012 . 2 . . . . 43 LEU QD2 . 17282 1 291 . 1 1 43 43 LEU HD23 H 1 0.806 0.012 . 2 . . . . 43 LEU QD2 . 17282 1 292 . 1 1 43 43 LEU C C 13 175.349 0.000 . 1 . . . . 43 LEU C . 17282 1 293 . 1 1 43 43 LEU CA C 13 53.597 0.082 . 1 . . . . 43 LEU CA . 17282 1 294 . 1 1 43 43 LEU CB C 13 46.460 0.070 . 1 . . . . 43 LEU CB . 17282 1 295 . 1 1 43 43 LEU CG C 13 28.569 0.052 . 1 . . . . 43 LEU CG . 17282 1 296 . 1 1 43 43 LEU CD1 C 13 25.833 0.057 . 2 . . . . 43 LEU CD1 . 17282 1 297 . 1 1 43 43 LEU CD2 C 13 26.001 0.080 . 2 . . . . 43 LEU CD2 . 17282 1 298 . 1 1 43 43 LEU N N 15 126.484 0.027 . 1 . . . . 43 LEU N . 17282 1 299 . 1 1 44 44 GLN H H 1 9.369 0.006 . 1 . . . . 44 GLN H . 17282 1 300 . 1 1 44 44 GLN HA H 1 5.954 0.006 . 1 . . . . 44 GLN HA . 17282 1 301 . 1 1 44 44 GLN HB2 H 1 2.053 0.017 . 2 . . . . 44 GLN QB . 17282 1 302 . 1 1 44 44 GLN HB3 H 1 2.053 0.017 . 2 . . . . 44 GLN QB . 17282 1 303 . 1 1 44 44 GLN C C 13 175.199 0.000 . 1 . . . . 44 GLN C . 17282 1 304 . 1 1 44 44 GLN CA C 13 53.649 0.056 . 1 . . . . 44 GLN CA . 17282 1 305 . 1 1 44 44 GLN CB C 13 36.092 0.069 . 1 . . . . 44 GLN CB . 17282 1 306 . 1 1 44 44 GLN CG C 13 34.974 0.000 . 1 . . . . 44 GLN CG . 17282 1 307 . 1 1 44 44 GLN N N 15 120.696 0.041 . 1 . . . . 44 GLN N . 17282 1 308 . 1 1 45 45 ILE H H 1 9.235 0.006 . 1 . . . . 45 ILE H . 17282 1 309 . 1 1 45 45 ILE HA H 1 5.083 0.011 . 1 . . . . 45 ILE HA . 17282 1 310 . 1 1 45 45 ILE HB H 1 1.756 0.010 . 1 . . . . 45 ILE HB . 17282 1 311 . 1 1 45 45 ILE HG12 H 1 1.096 0.018 . 2 . . . . 45 ILE HG12 . 17282 1 312 . 1 1 45 45 ILE HG13 H 1 1.447 0.004 . 2 . . . . 45 ILE HG13 . 17282 1 313 . 1 1 45 45 ILE HG21 H 1 0.816 0.013 . 1 . . . . 45 ILE QG2 . 17282 1 314 . 1 1 45 45 ILE HG22 H 1 0.816 0.013 . 1 . . . . 45 ILE QG2 . 17282 1 315 . 1 1 45 45 ILE HG23 H 1 0.816 0.013 . 1 . . . . 45 ILE QG2 . 17282 1 316 . 1 1 45 45 ILE HD11 H 1 0.512 0.010 . 1 . . . . 45 ILE QD1 . 17282 1 317 . 1 1 45 45 ILE HD12 H 1 0.512 0.010 . 1 . . . . 45 ILE QD1 . 17282 1 318 . 1 1 45 45 ILE HD13 H 1 0.512 0.010 . 1 . . . . 45 ILE QD1 . 17282 1 319 . 1 1 45 45 ILE C C 13 172.422 0.000 . 1 . . . . 45 ILE C . 17282 1 320 . 1 1 45 45 ILE CA C 13 58.939 0.085 . 1 . . . . 45 ILE CA . 17282 1 321 . 1 1 45 45 ILE CB C 13 41.255 0.083 . 1 . . . . 45 ILE CB . 17282 1 322 . 1 1 45 45 ILE CG1 C 13 24.596 0.106 . 1 . . . . 45 ILE CG1 . 17282 1 323 . 1 1 45 45 ILE CG2 C 13 17.407 0.107 . 1 . . . . 45 ILE CG2 . 17282 1 324 . 1 1 45 45 ILE CD1 C 13 13.386 0.082 . 1 . . . . 45 ILE CD1 . 17282 1 325 . 1 1 45 45 ILE N N 15 112.990 0.041 . 1 . . . . 45 ILE N . 17282 1 326 . 1 1 46 46 LYS H H 1 8.290 0.009 . 1 . . . . 46 LYS H . 17282 1 327 . 1 1 46 46 LYS HA H 1 4.823 0.014 . 1 . . . . 46 LYS HA . 17282 1 328 . 1 1 46 46 LYS HB2 H 1 0.500 0.012 . 2 . . . . 46 LYS HB2 . 17282 1 329 . 1 1 46 46 LYS HB3 H 1 1.208 0.010 . 2 . . . . 46 LYS HB3 . 17282 1 330 . 1 1 46 46 LYS HG2 H 1 0.724 0.011 . 2 . . . . 46 LYS HG2 . 17282 1 331 . 1 1 46 46 LYS HG3 H 1 1.032 0.015 . 2 . . . . 46 LYS HG3 . 17282 1 332 . 1 1 46 46 LYS HD2 H 1 1.055 0.014 . 2 . . . . 46 LYS HD2 . 17282 1 333 . 1 1 46 46 LYS HD3 H 1 1.250 0.009 . 2 . . . . 46 LYS HD3 . 17282 1 334 . 1 1 46 46 LYS HE2 H 1 2.266 0.008 . 2 . . . . 46 LYS HE2 . 17282 1 335 . 1 1 46 46 LYS HE3 H 1 2.486 0.008 . 2 . . . . 46 LYS HE3 . 17282 1 336 . 1 1 46 46 LYS C C 13 174.613 0.000 . 1 . . . . 46 LYS C . 17282 1 337 . 1 1 46 46 LYS CA C 13 54.849 0.133 . 1 . . . . 46 LYS CA . 17282 1 338 . 1 1 46 46 LYS CB C 13 35.032 0.071 . 1 . . . . 46 LYS CB . 17282 1 339 . 1 1 46 46 LYS CG C 13 24.973 0.133 . 1 . . . . 46 LYS CG . 17282 1 340 . 1 1 46 46 LYS CD C 13 29.185 0.111 . 1 . . . . 46 LYS CD . 17282 1 341 . 1 1 46 46 LYS CE C 13 41.572 0.078 . 1 . . . . 46 LYS CE . 17282 1 342 . 1 1 46 46 LYS N N 15 123.719 0.036 . 1 . . . . 46 LYS N . 17282 1 343 . 1 1 47 47 VAL H H 1 8.539 0.007 . 1 . . . . 47 VAL H . 17282 1 344 . 1 1 47 47 VAL HA H 1 4.443 0.011 . 1 . . . . 47 VAL HA . 17282 1 345 . 1 1 47 47 VAL HB H 1 1.356 0.008 . 1 . . . . 47 VAL HB . 17282 1 346 . 1 1 47 47 VAL HG11 H 1 0.684 0.006 . 2 . . . . 47 VAL QG1 . 17282 1 347 . 1 1 47 47 VAL HG12 H 1 0.684 0.006 . 2 . . . . 47 VAL QG1 . 17282 1 348 . 1 1 47 47 VAL HG13 H 1 0.684 0.006 . 2 . . . . 47 VAL QG1 . 17282 1 349 . 1 1 47 47 VAL HG21 H 1 0.001 0.006 . 2 . . . . 47 VAL QG2 . 17282 1 350 . 1 1 47 47 VAL HG22 H 1 0.001 0.006 . 2 . . . . 47 VAL QG2 . 17282 1 351 . 1 1 47 47 VAL HG23 H 1 0.001 0.006 . 2 . . . . 47 VAL QG2 . 17282 1 352 . 1 1 47 47 VAL C C 13 176.545 0.000 . 1 . . . . 47 VAL C . 17282 1 353 . 1 1 47 47 VAL CA C 13 60.984 0.096 . 1 . . . . 47 VAL CA . 17282 1 354 . 1 1 47 47 VAL CB C 13 33.912 0.079 . 1 . . . . 47 VAL CB . 17282 1 355 . 1 1 47 47 VAL CG1 C 13 20.581 0.123 . 2 . . . . 47 VAL CG1 . 17282 1 356 . 1 1 47 47 VAL CG2 C 13 21.385 0.065 . 2 . . . . 47 VAL CG2 . 17282 1 357 . 1 1 47 47 VAL N N 15 128.514 0.036 . 1 . . . . 47 VAL N . 17282 1 358 . 1 1 48 48 ASN H H 1 8.923 0.006 . 1 . . . . 48 ASN H . 17282 1 359 . 1 1 48 48 ASN HA H 1 4.846 0.017 . 1 . . . . 48 ASN HA . 17282 1 360 . 1 1 48 48 ASN HB2 H 1 2.853 0.009 . 2 . . . . 48 ASN HB2 . 17282 1 361 . 1 1 48 48 ASN HB3 H 1 3.521 0.007 . 2 . . . . 48 ASN HB3 . 17282 1 362 . 1 1 48 48 ASN HD21 H 1 7.826 0.010 . 2 . . . . 48 ASN HD21 . 17282 1 363 . 1 1 48 48 ASN HD22 H 1 6.670 0.010 . 2 . . . . 48 ASN HD22 . 17282 1 364 . 1 1 48 48 ASN C C 13 177.116 0.000 . 1 . . . . 48 ASN C . 17282 1 365 . 1 1 48 48 ASN CA C 13 51.307 0.118 . 1 . . . . 48 ASN CA . 17282 1 366 . 1 1 48 48 ASN CB C 13 38.821 0.064 . 1 . . . . 48 ASN CB . 17282 1 367 . 1 1 48 48 ASN N N 15 126.346 0.025 . 1 . . . . 48 ASN N . 17282 1 368 . 1 1 48 48 ASN ND2 N 15 111.037 0.058 . 1 . . . . 48 ASN ND2 . 17282 1 369 . 1 1 49 49 ASP H H 1 8.401 0.009 . 1 . . . . 49 ASP H . 17282 1 370 . 1 1 49 49 ASP HA H 1 4.445 0.009 . 1 . . . . 49 ASP HA . 17282 1 371 . 1 1 49 49 ASP HB2 H 1 2.713 0.018 . 2 . . . . 49 ASP QB . 17282 1 372 . 1 1 49 49 ASP HB3 H 1 2.713 0.018 . 2 . . . . 49 ASP QB . 17282 1 373 . 1 1 49 49 ASP C C 13 177.168 0.000 . 1 . . . . 49 ASP C . 17282 1 374 . 1 1 49 49 ASP CA C 13 56.613 0.052 . 1 . . . . 49 ASP CA . 17282 1 375 . 1 1 49 49 ASP CB C 13 40.341 0.079 . 1 . . . . 49 ASP CB . 17282 1 376 . 1 1 49 49 ASP N N 15 116.913 0.026 . 1 . . . . 49 ASP N . 17282 1 377 . 1 1 50 50 GLU H H 1 7.813 0.009 . 1 . . . . 50 GLU H . 17282 1 378 . 1 1 50 50 GLU HA H 1 4.388 0.009 . 1 . . . . 50 GLU HA . 17282 1 379 . 1 1 50 50 GLU HB2 H 1 1.948 0.014 . 2 . . . . 50 GLU HB2 . 17282 1 380 . 1 1 50 50 GLU HB3 H 1 2.208 0.008 . 2 . . . . 50 GLU HB3 . 17282 1 381 . 1 1 50 50 GLU HG2 H 1 2.204 0.009 . 2 . . . . 50 GLU QG . 17282 1 382 . 1 1 50 50 GLU HG3 H 1 2.204 0.009 . 2 . . . . 50 GLU QG . 17282 1 383 . 1 1 50 50 GLU C C 13 176.573 0.000 . 1 . . . . 50 GLU C . 17282 1 384 . 1 1 50 50 GLU CA C 13 56.019 0.066 . 1 . . . . 50 GLU CA . 17282 1 385 . 1 1 50 50 GLU CB C 13 29.995 0.074 . 1 . . . . 50 GLU CB . 17282 1 386 . 1 1 50 50 GLU CG C 13 36.838 0.060 . 1 . . . . 50 GLU CG . 17282 1 387 . 1 1 50 50 GLU N N 15 117.819 0.018 . 1 . . . . 50 GLU N . 17282 1 388 . 1 1 51 51 GLY H H 1 8.059 0.007 . 1 . . . . 51 GLY H . 17282 1 389 . 1 1 51 51 GLY HA2 H 1 3.461 0.008 . 2 . . . . 51 GLY HA2 . 17282 1 390 . 1 1 51 51 GLY HA3 H 1 4.109 0.011 . 2 . . . . 51 GLY HA3 . 17282 1 391 . 1 1 51 51 GLY C C 13 172.631 0.000 . 1 . . . . 51 GLY C . 17282 1 392 . 1 1 51 51 GLY CA C 13 45.669 0.100 . 1 . . . . 51 GLY CA . 17282 1 393 . 1 1 51 51 GLY N N 15 107.787 0.023 . 1 . . . . 51 GLY N . 17282 1 394 . 1 1 52 52 ILE H H 1 7.528 0.006 . 1 . . . . 52 ILE H . 17282 1 395 . 1 1 52 52 ILE HA H 1 4.142 0.009 . 1 . . . . 52 ILE HA . 17282 1 396 . 1 1 52 52 ILE HB H 1 1.819 0.009 . 1 . . . . 52 ILE HB . 17282 1 397 . 1 1 52 52 ILE HG12 H 1 1.143 0.019 . 2 . . . . 52 ILE HG12 . 17282 1 398 . 1 1 52 52 ILE HG13 H 1 1.243 0.017 . 2 . . . . 52 ILE HG13 . 17282 1 399 . 1 1 52 52 ILE HG21 H 1 0.533 0.010 . 1 . . . . 52 ILE QG2 . 17282 1 400 . 1 1 52 52 ILE HG22 H 1 0.533 0.010 . 1 . . . . 52 ILE QG2 . 17282 1 401 . 1 1 52 52 ILE HG23 H 1 0.533 0.010 . 1 . . . . 52 ILE QG2 . 17282 1 402 . 1 1 52 52 ILE HD11 H 1 0.581 0.010 . 1 . . . . 52 ILE QD1 . 17282 1 403 . 1 1 52 52 ILE HD12 H 1 0.581 0.010 . 1 . . . . 52 ILE QD1 . 17282 1 404 . 1 1 52 52 ILE HD13 H 1 0.581 0.010 . 1 . . . . 52 ILE QD1 . 17282 1 405 . 1 1 52 52 ILE CA C 13 57.735 0.074 . 1 . . . . 52 ILE CA . 17282 1 406 . 1 1 52 52 ILE CB C 13 37.689 0.077 . 1 . . . . 52 ILE CB . 17282 1 407 . 1 1 52 52 ILE CG1 C 13 27.380 0.047 . 1 . . . . 52 ILE CG1 . 17282 1 408 . 1 1 52 52 ILE CG2 C 13 16.954 0.096 . 1 . . . . 52 ILE CG2 . 17282 1 409 . 1 1 52 52 ILE CD1 C 13 10.211 0.071 . 1 . . . . 52 ILE CD1 . 17282 1 410 . 1 1 52 52 ILE N N 15 119.936 0.016 . 1 . . . . 52 ILE N . 17282 1 411 . 1 1 53 53 ILE H H 1 8.715 0.008 . 1 . . . . 53 ILE H . 17282 1 412 . 1 1 53 53 ILE HA H 1 3.954 0.017 . 1 . . . . 53 ILE HA . 17282 1 413 . 1 1 53 53 ILE HB H 1 2.361 0.006 . 1 . . . . 53 ILE HB . 17282 1 414 . 1 1 53 53 ILE HG12 H 1 0.612 0.004 . 2 . . . . 53 ILE HG12 . 17282 1 415 . 1 1 53 53 ILE HG21 H 1 0.770 0.012 . 1 . . . . 53 ILE QG2 . 17282 1 416 . 1 1 53 53 ILE HG22 H 1 0.770 0.012 . 1 . . . . 53 ILE QG2 . 17282 1 417 . 1 1 53 53 ILE HG23 H 1 0.770 0.012 . 1 . . . . 53 ILE QG2 . 17282 1 418 . 1 1 53 53 ILE HD11 H 1 0.723 0.003 . 1 . . . . 53 ILE QD1 . 17282 1 419 . 1 1 53 53 ILE HD12 H 1 0.723 0.003 . 1 . . . . 53 ILE QD1 . 17282 1 420 . 1 1 53 53 ILE HD13 H 1 0.723 0.003 . 1 . . . . 53 ILE QD1 . 17282 1 421 . 1 1 53 53 ILE C C 13 174.575 0.000 . 1 . . . . 53 ILE C . 17282 1 422 . 1 1 53 53 ILE CA C 13 62.539 0.088 . 1 . . . . 53 ILE CA . 17282 1 423 . 1 1 53 53 ILE CB C 13 36.452 0.083 . 1 . . . . 53 ILE CB . 17282 1 424 . 1 1 53 53 ILE CG1 C 13 29.432 0.194 . 1 . . . . 53 ILE CG1 . 17282 1 425 . 1 1 53 53 ILE CG2 C 13 18.455 0.124 . 1 . . . . 53 ILE CG2 . 17282 1 426 . 1 1 53 53 ILE CD1 C 13 14.654 0.085 . 1 . . . . 53 ILE CD1 . 17282 1 427 . 1 1 53 53 ILE N N 15 127.105 0.024 . 1 . . . . 53 ILE N . 17282 1 428 . 1 1 54 54 GLU H H 1 8.917 0.010 . 1 . . . . 54 GLU H . 17282 1 429 . 1 1 54 54 GLU HA H 1 4.436 0.008 . 1 . . . . 54 GLU HA . 17282 1 430 . 1 1 54 54 GLU HB2 H 1 1.862 0.015 . 2 . . . . 54 GLU HB2 . 17282 1 431 . 1 1 54 54 GLU HB3 H 1 1.924 0.011 . 2 . . . . 54 GLU HB3 . 17282 1 432 . 1 1 54 54 GLU HG2 H 1 2.072 0.014 . 2 . . . . 54 GLU QG . 17282 1 433 . 1 1 54 54 GLU HG3 H 1 2.072 0.014 . 2 . . . . 54 GLU QG . 17282 1 434 . 1 1 54 54 GLU C C 13 176.027 0.000 . 1 . . . . 54 GLU C . 17282 1 435 . 1 1 54 54 GLU CA C 13 56.327 0.104 . 1 . . . . 54 GLU CA . 17282 1 436 . 1 1 54 54 GLU CB C 13 32.025 0.108 . 1 . . . . 54 GLU CB . 17282 1 437 . 1 1 54 54 GLU CG C 13 36.385 0.079 . 1 . . . . 54 GLU CG . 17282 1 438 . 1 1 54 54 GLU N N 15 130.297 0.031 . 1 . . . . 54 GLU N . 17282 1 439 . 1 1 55 55 ASP H H 1 8.035 0.009 . 1 . . . . 55 ASP H . 17282 1 440 . 1 1 55 55 ASP HA H 1 4.864 0.010 . 1 . . . . 55 ASP HA . 17282 1 441 . 1 1 55 55 ASP HB2 H 1 2.795 0.010 . 2 . . . . 55 ASP HB2 . 17282 1 442 . 1 1 55 55 ASP HB3 H 1 2.537 0.012 . 2 . . . . 55 ASP HB3 . 17282 1 443 . 1 1 55 55 ASP C C 13 172.395 0.000 . 1 . . . . 55 ASP C . 17282 1 444 . 1 1 55 55 ASP CA C 13 52.790 0.054 . 1 . . . . 55 ASP CA . 17282 1 445 . 1 1 55 55 ASP CB C 13 44.020 0.100 . 1 . . . . 55 ASP CB . 17282 1 446 . 1 1 55 55 ASP N N 15 115.987 0.039 . 1 . . . . 55 ASP N . 17282 1 447 . 1 1 56 56 ALA H H 1 8.956 0.005 . 1 . . . . 56 ALA H . 17282 1 448 . 1 1 56 56 ALA HA H 1 5.429 0.010 . 1 . . . . 56 ALA HA . 17282 1 449 . 1 1 56 56 ALA HB1 H 1 1.416 0.008 . 1 . . . . 56 ALA QB . 17282 1 450 . 1 1 56 56 ALA HB2 H 1 1.416 0.008 . 1 . . . . 56 ALA QB . 17282 1 451 . 1 1 56 56 ALA HB3 H 1 1.416 0.008 . 1 . . . . 56 ALA QB . 17282 1 452 . 1 1 56 56 ALA C C 13 174.839 0.000 . 1 . . . . 56 ALA C . 17282 1 453 . 1 1 56 56 ALA CA C 13 52.150 0.076 . 1 . . . . 56 ALA CA . 17282 1 454 . 1 1 56 56 ALA CB C 13 22.828 0.067 . 1 . . . . 56 ALA CB . 17282 1 455 . 1 1 56 56 ALA N N 15 123.675 0.020 . 1 . . . . 56 ALA N . 17282 1 456 . 1 1 57 57 ARG H H 1 8.833 0.006 . 1 . . . . 57 ARG H . 17282 1 457 . 1 1 57 57 ARG HA H 1 5.409 0.011 . 1 . . . . 57 ARG HA . 17282 1 458 . 1 1 57 57 ARG HB2 H 1 0.690 0.016 . 2 . . . . 57 ARG HB2 . 17282 1 459 . 1 1 57 57 ARG HB3 H 1 1.215 0.015 . 2 . . . . 57 ARG HB3 . 17282 1 460 . 1 1 57 57 ARG HG2 H 1 0.259 0.012 . 2 . . . . 57 ARG HG2 . 17282 1 461 . 1 1 57 57 ARG HG3 H 1 0.747 0.006 . 2 . . . . 57 ARG HG3 . 17282 1 462 . 1 1 57 57 ARG HD2 H 1 1.518 0.009 . 2 . . . . 57 ARG HD2 . 17282 1 463 . 1 1 57 57 ARG HD3 H 1 2.624 0.007 . 2 . . . . 57 ARG HD3 . 17282 1 464 . 1 1 57 57 ARG C C 13 174.460 0.000 . 1 . . . . 57 ARG C . 17282 1 465 . 1 1 57 57 ARG CA C 13 53.347 0.163 . 1 . . . . 57 ARG CA . 17282 1 466 . 1 1 57 57 ARG CB C 13 36.829 0.092 . 1 . . . . 57 ARG CB . 17282 1 467 . 1 1 57 57 ARG CG C 13 26.967 0.128 . 1 . . . . 57 ARG CG . 17282 1 468 . 1 1 57 57 ARG CD C 13 42.864 0.046 . 1 . . . . 57 ARG CD . 17282 1 469 . 1 1 57 57 ARG N N 15 117.865 0.027 . 1 . . . . 57 ARG N . 17282 1 470 . 1 1 58 58 PHE H H 1 8.466 0.009 . 1 . . . . 58 PHE H . 17282 1 471 . 1 1 58 58 PHE HA H 1 5.855 0.010 . 1 . . . . 58 PHE HA . 17282 1 472 . 1 1 58 58 PHE HB2 H 1 2.704 0.011 . 2 . . . . 58 PHE HB2 . 17282 1 473 . 1 1 58 58 PHE HB3 H 1 3.196 0.007 . 2 . . . . 58 PHE HB3 . 17282 1 474 . 1 1 58 58 PHE HD1 H 1 7.280 0.006 . 3 . . . . 58 PHE QD . 17282 1 475 . 1 1 58 58 PHE HD2 H 1 7.280 0.006 . 3 . . . . 58 PHE QD . 17282 1 476 . 1 1 58 58 PHE C C 13 172.711 0.000 . 1 . . . . 58 PHE C . 17282 1 477 . 1 1 58 58 PHE CA C 13 56.163 0.067 . 1 . . . . 58 PHE CA . 17282 1 478 . 1 1 58 58 PHE CB C 13 43.662 0.083 . 1 . . . . 58 PHE CB . 17282 1 479 . 1 1 58 58 PHE N N 15 116.809 0.029 . 1 . . . . 58 PHE N . 17282 1 480 . 1 1 59 59 LYS H H 1 8.730 0.011 . 1 . . . . 59 LYS H . 17282 1 481 . 1 1 59 59 LYS CA C 13 56.222 0.041 . 1 . . . . 59 LYS CA . 17282 1 482 . 1 1 59 59 LYS CB C 13 35.080 0.000 . 1 . . . . 59 LYS CB . 17282 1 483 . 1 1 59 59 LYS N N 15 119.900 0.038 . 1 . . . . 59 LYS N . 17282 1 484 . 1 1 71 71 SER C C 13 176.679 0.000 . 1 . . . . 71 SER C . 17282 1 485 . 1 1 71 71 SER CA C 13 60.760 0.000 . 1 . . . . 71 SER CA . 17282 1 486 . 1 1 72 72 LEU H H 1 7.783 0.010 . 1 . . . . 72 LEU H . 17282 1 487 . 1 1 72 72 LEU HA H 1 3.343 0.013 . 1 . . . . 72 LEU HA . 17282 1 488 . 1 1 72 72 LEU HB2 H 1 0.546 0.010 . 2 . . . . 72 LEU HB2 . 17282 1 489 . 1 1 72 72 LEU HB3 H 1 1.219 0.010 . 2 . . . . 72 LEU HB3 . 17282 1 490 . 1 1 72 72 LEU HD11 H 1 0.284 0.009 . 2 . . . . 72 LEU QD1 . 17282 1 491 . 1 1 72 72 LEU HD12 H 1 0.284 0.009 . 2 . . . . 72 LEU QD1 . 17282 1 492 . 1 1 72 72 LEU HD13 H 1 0.284 0.009 . 2 . . . . 72 LEU QD1 . 17282 1 493 . 1 1 72 72 LEU HD21 H 1 0.140 0.009 . 2 . . . . 72 LEU QD2 . 17282 1 494 . 1 1 72 72 LEU HD22 H 1 0.140 0.009 . 2 . . . . 72 LEU QD2 . 17282 1 495 . 1 1 72 72 LEU HD23 H 1 0.140 0.009 . 2 . . . . 72 LEU QD2 . 17282 1 496 . 1 1 72 72 LEU C C 13 178.926 0.000 . 1 . . . . 72 LEU C . 17282 1 497 . 1 1 72 72 LEU CA C 13 58.042 0.144 . 1 . . . . 72 LEU CA . 17282 1 498 . 1 1 72 72 LEU CB C 13 42.103 0.097 . 1 . . . . 72 LEU CB . 17282 1 499 . 1 1 72 72 LEU CD1 C 13 23.260 0.028 . 2 . . . . 72 LEU CD1 . 17282 1 500 . 1 1 72 72 LEU CD2 C 13 26.540 0.082 . 2 . . . . 72 LEU CD2 . 17282 1 501 . 1 1 72 72 LEU N N 15 117.949 0.061 . 1 . . . . 72 LEU N . 17282 1 502 . 1 1 73 73 VAL H H 1 7.559 0.009 . 1 . . . . 73 VAL H . 17282 1 503 . 1 1 73 73 VAL HA H 1 3.621 0.011 . 1 . . . . 73 VAL HA . 17282 1 504 . 1 1 73 73 VAL HB H 1 2.005 0.005 . 1 . . . . 73 VAL HB . 17282 1 505 . 1 1 73 73 VAL HG11 H 1 0.865 0.018 . 2 . . . . 73 VAL QG1 . 17282 1 506 . 1 1 73 73 VAL HG12 H 1 0.865 0.018 . 2 . . . . 73 VAL QG1 . 17282 1 507 . 1 1 73 73 VAL HG13 H 1 0.865 0.018 . 2 . . . . 73 VAL QG1 . 17282 1 508 . 1 1 73 73 VAL HG21 H 1 0.933 0.012 . 2 . . . . 73 VAL QG2 . 17282 1 509 . 1 1 73 73 VAL HG22 H 1 0.933 0.012 . 2 . . . . 73 VAL QG2 . 17282 1 510 . 1 1 73 73 VAL HG23 H 1 0.933 0.012 . 2 . . . . 73 VAL QG2 . 17282 1 511 . 1 1 73 73 VAL C C 13 177.329 0.000 . 1 . . . . 73 VAL C . 17282 1 512 . 1 1 73 73 VAL CA C 13 66.968 0.139 . 1 . . . . 73 VAL CA . 17282 1 513 . 1 1 73 73 VAL CB C 13 31.305 0.214 . 1 . . . . 73 VAL CB . 17282 1 514 . 1 1 73 73 VAL CG1 C 13 22.705 0.104 . 2 . . . . 73 VAL CG1 . 17282 1 515 . 1 1 73 73 VAL CG2 C 13 23.355 0.070 . 2 . . . . 73 VAL CG2 . 17282 1 516 . 1 1 73 73 VAL N N 15 113.857 0.040 . 1 . . . . 73 VAL N . 17282 1 517 . 1 1 74 74 THR H H 1 7.778 0.008 . 1 . . . . 74 THR H . 17282 1 518 . 1 1 74 74 THR HA H 1 3.860 0.005 . 1 . . . . 74 THR HA . 17282 1 519 . 1 1 74 74 THR HB H 1 4.085 0.012 . 1 . . . . 74 THR HB . 17282 1 520 . 1 1 74 74 THR HG21 H 1 1.371 0.011 . 1 . . . . 74 THR QG2 . 17282 1 521 . 1 1 74 74 THR HG22 H 1 1.371 0.011 . 1 . . . . 74 THR QG2 . 17282 1 522 . 1 1 74 74 THR HG23 H 1 1.371 0.011 . 1 . . . . 74 THR QG2 . 17282 1 523 . 1 1 74 74 THR C C 13 175.250 0.000 . 1 . . . . 74 THR C . 17282 1 524 . 1 1 74 74 THR CA C 13 65.867 0.112 . 1 . . . . 74 THR CA . 17282 1 525 . 1 1 74 74 THR CB C 13 68.430 0.139 . 1 . . . . 74 THR CB . 17282 1 526 . 1 1 74 74 THR CG2 C 13 23.756 0.076 . 1 . . . . 74 THR CG2 . 17282 1 527 . 1 1 74 74 THR N N 15 109.665 0.028 . 1 . . . . 74 THR N . 17282 1 528 . 1 1 75 75 GLU H H 1 7.264 0.012 . 1 . . . . 75 GLU H . 17282 1 529 . 1 1 75 75 GLU HA H 1 4.333 0.010 . 1 . . . . 75 GLU HA . 17282 1 530 . 1 1 75 75 GLU HB2 H 1 2.197 0.005 . 2 . . . . 75 GLU HB2 . 17282 1 531 . 1 1 75 75 GLU HB3 H 1 2.325 0.010 . 2 . . . . 75 GLU HB3 . 17282 1 532 . 1 1 75 75 GLU HG2 H 1 2.383 0.005 . 2 . . . . 75 GLU QG . 17282 1 533 . 1 1 75 75 GLU HG3 H 1 2.383 0.005 . 2 . . . . 75 GLU QG . 17282 1 534 . 1 1 75 75 GLU C C 13 179.684 0.000 . 1 . . . . 75 GLU C . 17282 1 535 . 1 1 75 75 GLU CA C 13 58.308 0.119 . 1 . . . . 75 GLU CA . 17282 1 536 . 1 1 75 75 GLU CB C 13 30.436 0.171 . 1 . . . . 75 GLU CB . 17282 1 537 . 1 1 75 75 GLU CG C 13 37.022 0.058 . 1 . . . . 75 GLU CG . 17282 1 538 . 1 1 75 75 GLU N N 15 117.488 0.035 . 1 . . . . 75 GLU N . 17282 1 539 . 1 1 76 76 TRP H H 1 8.647 0.009 . 1 . . . . 76 TRP H . 17282 1 540 . 1 1 76 76 TRP HA H 1 4.472 0.008 . 1 . . . . 76 TRP HA . 17282 1 541 . 1 1 76 76 TRP HB2 H 1 3.112 0.012 . 2 . . . . 76 TRP HB2 . 17282 1 542 . 1 1 76 76 TRP HB3 H 1 3.326 0.016 . 2 . . . . 76 TRP HB3 . 17282 1 543 . 1 1 76 76 TRP HD1 H 1 7.205 0.020 . 1 . . . . 76 TRP HD1 . 17282 1 544 . 1 1 76 76 TRP HE1 H 1 10.282 0.004 . 1 . . . . 76 TRP HE1 . 17282 1 545 . 1 1 76 76 TRP C C 13 178.440 0.000 . 1 . . . . 76 TRP C . 17282 1 546 . 1 1 76 76 TRP CA C 13 59.105 0.206 . 1 . . . . 76 TRP CA . 17282 1 547 . 1 1 76 76 TRP CB C 13 29.988 0.143 . 1 . . . . 76 TRP CB . 17282 1 548 . 1 1 76 76 TRP N N 15 120.118 0.021 . 1 . . . . 76 TRP N . 17282 1 549 . 1 1 76 76 TRP NE1 N 15 129.130 0.014 . 1 . . . . 76 TRP NE1 . 17282 1 550 . 1 1 77 77 VAL H H 1 8.131 0.010 . 1 . . . . 77 VAL H . 17282 1 551 . 1 1 77 77 VAL HA H 1 3.863 0.011 . 1 . . . . 77 VAL HA . 17282 1 552 . 1 1 77 77 VAL HB H 1 2.373 0.017 . 1 . . . . 77 VAL HB . 17282 1 553 . 1 1 77 77 VAL HG11 H 1 0.987 0.013 . 2 . . . . 77 VAL QG1 . 17282 1 554 . 1 1 77 77 VAL HG12 H 1 0.987 0.013 . 2 . . . . 77 VAL QG1 . 17282 1 555 . 1 1 77 77 VAL HG13 H 1 0.987 0.013 . 2 . . . . 77 VAL QG1 . 17282 1 556 . 1 1 77 77 VAL HG21 H 1 1.086 0.009 . 2 . . . . 77 VAL QG2 . 17282 1 557 . 1 1 77 77 VAL HG22 H 1 1.086 0.009 . 2 . . . . 77 VAL QG2 . 17282 1 558 . 1 1 77 77 VAL HG23 H 1 1.086 0.009 . 2 . . . . 77 VAL QG2 . 17282 1 559 . 1 1 77 77 VAL C C 13 175.435 0.000 . 1 . . . . 77 VAL C . 17282 1 560 . 1 1 77 77 VAL CA C 13 63.760 0.055 . 1 . . . . 77 VAL CA . 17282 1 561 . 1 1 77 77 VAL CB C 13 31.599 0.130 . 1 . . . . 77 VAL CB . 17282 1 562 . 1 1 77 77 VAL CG1 C 13 19.354 0.081 . 2 . . . . 77 VAL CG1 . 17282 1 563 . 1 1 77 77 VAL CG2 C 13 21.897 0.140 . 2 . . . . 77 VAL CG2 . 17282 1 564 . 1 1 77 77 VAL N N 15 107.871 0.034 . 1 . . . . 77 VAL N . 17282 1 565 . 1 1 78 78 LYS H H 1 6.690 0.006 . 1 . . . . 78 LYS H . 17282 1 566 . 1 1 78 78 LYS HA H 1 3.684 0.012 . 1 . . . . 78 LYS HA . 17282 1 567 . 1 1 78 78 LYS HB2 H 1 1.832 0.013 . 2 . . . . 78 LYS HB2 . 17282 1 568 . 1 1 78 78 LYS HB3 H 1 1.761 0.013 . 2 . . . . 78 LYS HB3 . 17282 1 569 . 1 1 78 78 LYS HG2 H 1 0.998 0.011 . 2 . . . . 78 LYS HG2 . 17282 1 570 . 1 1 78 78 LYS HG3 H 1 2.087 0.012 . 2 . . . . 78 LYS HG3 . 17282 1 571 . 1 1 78 78 LYS HD2 H 1 1.859 0.018 . 2 . . . . 78 LYS HD2 . 17282 1 572 . 1 1 78 78 LYS HD3 H 1 1.916 0.003 . 2 . . . . 78 LYS HD3 . 17282 1 573 . 1 1 78 78 LYS HE2 H 1 3.194 0.006 . 2 . . . . 78 LYS QE . 17282 1 574 . 1 1 78 78 LYS HE3 H 1 3.194 0.006 . 2 . . . . 78 LYS QE . 17282 1 575 . 1 1 78 78 LYS C C 13 177.741 0.000 . 1 . . . . 78 LYS C . 17282 1 576 . 1 1 78 78 LYS CA C 13 59.180 0.159 . 1 . . . . 78 LYS CA . 17282 1 577 . 1 1 78 78 LYS CB C 13 32.124 0.064 . 1 . . . . 78 LYS CB . 17282 1 578 . 1 1 78 78 LYS CG C 13 26.171 0.111 . 1 . . . . 78 LYS CG . 17282 1 579 . 1 1 78 78 LYS CD C 13 30.475 0.107 . 1 . . . . 78 LYS CD . 17282 1 580 . 1 1 78 78 LYS CE C 13 42.167 0.094 . 1 . . . . 78 LYS CE . 17282 1 581 . 1 1 78 78 LYS N N 15 118.021 0.018 . 1 . . . . 78 LYS N . 17282 1 582 . 1 1 79 79 GLY H H 1 9.436 0.006 . 1 . . . . 79 GLY H . 17282 1 583 . 1 1 79 79 GLY HA2 H 1 3.476 0.013 . 2 . . . . 79 GLY HA2 . 17282 1 584 . 1 1 79 79 GLY HA3 H 1 4.190 0.006 . 2 . . . . 79 GLY HA3 . 17282 1 585 . 1 1 79 79 GLY C C 13 174.165 0.000 . 1 . . . . 79 GLY C . 17282 1 586 . 1 1 79 79 GLY CA C 13 45.209 0.097 . 1 . . . . 79 GLY CA . 17282 1 587 . 1 1 79 79 GLY N N 15 112.493 0.033 . 1 . . . . 79 GLY N . 17282 1 588 . 1 1 80 80 LYS H H 1 7.903 0.012 . 1 . . . . 80 LYS H . 17282 1 589 . 1 1 80 80 LYS HA H 1 4.548 0.010 . 1 . . . . 80 LYS HA . 17282 1 590 . 1 1 80 80 LYS HB2 H 1 1.865 0.019 . 2 . . . . 80 LYS HB2 . 17282 1 591 . 1 1 80 80 LYS HB3 H 1 2.013 0.019 . 2 . . . . 80 LYS HB3 . 17282 1 592 . 1 1 80 80 LYS HG2 H 1 1.140 0.009 . 2 . . . . 80 LYS HG2 . 17282 1 593 . 1 1 80 80 LYS HG3 H 1 1.198 0.006 . 2 . . . . 80 LYS HG3 . 17282 1 594 . 1 1 80 80 LYS HD2 H 1 1.195 0.009 . 2 . . . . 80 LYS HD2 . 17282 1 595 . 1 1 80 80 LYS HD3 H 1 1.277 0.006 . 2 . . . . 80 LYS HD3 . 17282 1 596 . 1 1 80 80 LYS HE2 H 1 2.481 0.008 . 2 . . . . 80 LYS HE2 . 17282 1 597 . 1 1 80 80 LYS HE3 H 1 2.690 0.009 . 2 . . . . 80 LYS HE3 . 17282 1 598 . 1 1 80 80 LYS C C 13 176.108 0.000 . 1 . . . . 80 LYS C . 17282 1 599 . 1 1 80 80 LYS CA C 13 54.639 0.073 . 1 . . . . 80 LYS CA . 17282 1 600 . 1 1 80 80 LYS CB C 13 33.832 0.085 . 1 . . . . 80 LYS CB . 17282 1 601 . 1 1 80 80 LYS CG C 13 25.941 0.079 . 1 . . . . 80 LYS CG . 17282 1 602 . 1 1 80 80 LYS CD C 13 28.418 0.113 . 1 . . . . 80 LYS CD . 17282 1 603 . 1 1 80 80 LYS CE C 13 42.418 0.106 . 1 . . . . 80 LYS CE . 17282 1 604 . 1 1 80 80 LYS N N 15 120.275 0.025 . 1 . . . . 80 LYS N . 17282 1 605 . 1 1 81 81 SER H H 1 8.998 0.007 . 1 . . . . 81 SER H . 17282 1 606 . 1 1 81 81 SER HA H 1 4.973 0.008 . 1 . . . . 81 SER HA . 17282 1 607 . 1 1 81 81 SER HB2 H 1 3.922 0.008 . 2 . . . . 81 SER HB2 . 17282 1 608 . 1 1 81 81 SER HB3 H 1 4.399 0.005 . 2 . . . . 81 SER HB3 . 17282 1 609 . 1 1 81 81 SER C C 13 175.412 0.000 . 1 . . . . 81 SER C . 17282 1 610 . 1 1 81 81 SER CA C 13 57.107 0.062 . 1 . . . . 81 SER CA . 17282 1 611 . 1 1 81 81 SER CB C 13 65.032 0.184 . 1 . . . . 81 SER CB . 17282 1 612 . 1 1 81 81 SER N N 15 116.227 0.023 . 1 . . . . 81 SER N . 17282 1 613 . 1 1 82 82 LEU H H 1 8.020 0.007 . 1 . . . . 82 LEU H . 17282 1 614 . 1 1 82 82 LEU HA H 1 3.912 0.007 . 1 . . . . 82 LEU HA . 17282 1 615 . 1 1 82 82 LEU HB2 H 1 1.427 0.011 . 2 . . . . 82 LEU HB2 . 17282 1 616 . 1 1 82 82 LEU HB3 H 1 1.967 0.011 . 2 . . . . 82 LEU HB3 . 17282 1 617 . 1 1 82 82 LEU HG H 1 1.848 0.012 . 1 . . . . 82 LEU HG . 17282 1 618 . 1 1 82 82 LEU HD11 H 1 1.009 0.008 . 2 . . . . 82 LEU QD1 . 17282 1 619 . 1 1 82 82 LEU HD12 H 1 1.009 0.008 . 2 . . . . 82 LEU QD1 . 17282 1 620 . 1 1 82 82 LEU HD13 H 1 1.009 0.008 . 2 . . . . 82 LEU QD1 . 17282 1 621 . 1 1 82 82 LEU HD21 H 1 0.676 0.006 . 2 . . . . 82 LEU QD2 . 17282 1 622 . 1 1 82 82 LEU HD22 H 1 0.676 0.006 . 2 . . . . 82 LEU QD2 . 17282 1 623 . 1 1 82 82 LEU HD23 H 1 0.676 0.006 . 2 . . . . 82 LEU QD2 . 17282 1 624 . 1 1 82 82 LEU C C 13 178.988 0.000 . 1 . . . . 82 LEU C . 17282 1 625 . 1 1 82 82 LEU CA C 13 58.779 0.059 . 1 . . . . 82 LEU CA . 17282 1 626 . 1 1 82 82 LEU CB C 13 41.063 0.074 . 1 . . . . 82 LEU CB . 17282 1 627 . 1 1 82 82 LEU CG C 13 26.601 0.173 . 1 . . . . 82 LEU CG . 17282 1 628 . 1 1 82 82 LEU CD1 C 13 26.465 0.055 . 2 . . . . 82 LEU CD1 . 17282 1 629 . 1 1 82 82 LEU CD2 C 13 22.958 0.055 . 2 . . . . 82 LEU CD2 . 17282 1 630 . 1 1 82 82 LEU N N 15 118.516 0.030 . 1 . . . . 82 LEU N . 17282 1 631 . 1 1 83 83 ASP H H 1 8.133 0.009 . 1 . . . . 83 ASP H . 17282 1 632 . 1 1 83 83 ASP HA H 1 4.338 0.012 . 1 . . . . 83 ASP HA . 17282 1 633 . 1 1 83 83 ASP HB2 H 1 2.493 0.012 . 2 . . . . 83 ASP HB2 . 17282 1 634 . 1 1 83 83 ASP HB3 H 1 2.576 0.009 . 2 . . . . 83 ASP HB3 . 17282 1 635 . 1 1 83 83 ASP C C 13 179.224 0.000 . 1 . . . . 83 ASP C . 17282 1 636 . 1 1 83 83 ASP CA C 13 57.303 0.086 . 1 . . . . 83 ASP CA . 17282 1 637 . 1 1 83 83 ASP CB C 13 40.586 0.175 . 1 . . . . 83 ASP CB . 17282 1 638 . 1 1 83 83 ASP N N 15 116.067 0.029 . 1 . . . . 83 ASP N . 17282 1 639 . 1 1 84 84 GLU H H 1 7.800 0.009 . 1 . . . . 84 GLU H . 17282 1 640 . 1 1 84 84 GLU HA H 1 3.975 0.011 . 1 . . . . 84 GLU HA . 17282 1 641 . 1 1 84 84 GLU HB2 H 1 1.833 0.012 . 2 . . . . 84 GLU HB2 . 17282 1 642 . 1 1 84 84 GLU HB3 H 1 2.328 0.007 . 2 . . . . 84 GLU HB3 . 17282 1 643 . 1 1 84 84 GLU HG2 H 1 2.337 0.010 . 2 . . . . 84 GLU QG . 17282 1 644 . 1 1 84 84 GLU HG3 H 1 2.337 0.010 . 2 . . . . 84 GLU QG . 17282 1 645 . 1 1 84 84 GLU C C 13 180.047 0.000 . 1 . . . . 84 GLU C . 17282 1 646 . 1 1 84 84 GLU CA C 13 58.866 0.101 . 1 . . . . 84 GLU CA . 17282 1 647 . 1 1 84 84 GLU CB C 13 30.507 0.199 . 1 . . . . 84 GLU CB . 17282 1 648 . 1 1 84 84 GLU CG C 13 37.206 0.129 . 1 . . . . 84 GLU CG . 17282 1 649 . 1 1 84 84 GLU N N 15 120.781 0.021 . 1 . . . . 84 GLU N . 17282 1 650 . 1 1 85 85 ALA H H 1 8.678 0.009 . 1 . . . . 85 ALA H . 17282 1 651 . 1 1 85 85 ALA HA H 1 4.103 0.003 . 1 . . . . 85 ALA HA . 17282 1 652 . 1 1 85 85 ALA HB1 H 1 1.367 0.010 . 1 . . . . 85 ALA QB . 17282 1 653 . 1 1 85 85 ALA HB2 H 1 1.367 0.010 . 1 . . . . 85 ALA QB . 17282 1 654 . 1 1 85 85 ALA HB3 H 1 1.367 0.010 . 1 . . . . 85 ALA QB . 17282 1 655 . 1 1 85 85 ALA C C 13 178.439 0.000 . 1 . . . . 85 ALA C . 17282 1 656 . 1 1 85 85 ALA CA C 13 54.675 0.049 . 1 . . . . 85 ALA CA . 17282 1 657 . 1 1 85 85 ALA CB C 13 18.667 0.145 . 1 . . . . 85 ALA CB . 17282 1 658 . 1 1 85 85 ALA N N 15 122.603 0.083 . 1 . . . . 85 ALA N . 17282 1 659 . 1 1 86 86 GLN H H 1 7.863 0.007 . 1 . . . . 86 GLN H . 17282 1 660 . 1 1 86 86 GLN HA H 1 3.854 0.009 . 1 . . . . 86 GLN HA . 17282 1 661 . 1 1 86 86 GLN HB2 H 1 2.151 0.008 . 2 . . . . 86 GLN HB2 . 17282 1 662 . 1 1 86 86 GLN HB3 H 1 2.327 0.008 . 2 . . . . 86 GLN HB3 . 17282 1 663 . 1 1 86 86 GLN HG2 H 1 2.523 0.008 . 2 . . . . 86 GLN QG . 17282 1 664 . 1 1 86 86 GLN HG3 H 1 2.523 0.008 . 2 . . . . 86 GLN QG . 17282 1 665 . 1 1 86 86 GLN HE21 H 1 7.339 0.004 . 2 . . . . 86 GLN HE21 . 17282 1 666 . 1 1 86 86 GLN HE22 H 1 6.789 0.012 . 2 . . . . 86 GLN HE22 . 17282 1 667 . 1 1 86 86 GLN C C 13 174.747 0.000 . 1 . . . . 86 GLN C . 17282 1 668 . 1 1 86 86 GLN CA C 13 57.486 0.111 . 1 . . . . 86 GLN CA . 17282 1 669 . 1 1 86 86 GLN CB C 13 28.733 0.060 . 1 . . . . 86 GLN CB . 17282 1 670 . 1 1 86 86 GLN CG C 13 34.324 0.029 . 1 . . . . 86 GLN CG . 17282 1 671 . 1 1 86 86 GLN N N 15 115.397 0.043 . 1 . . . . 86 GLN N . 17282 1 672 . 1 1 86 86 GLN NE2 N 15 109.969 0.018 . 1 . . . . 86 GLN NE2 . 17282 1 673 . 1 1 87 87 ALA H H 1 7.098 0.007 . 1 . . . . 87 ALA H . 17282 1 674 . 1 1 87 87 ALA HA H 1 4.307 0.005 . 1 . . . . 87 ALA HA . 17282 1 675 . 1 1 87 87 ALA HB1 H 1 1.462 0.013 . 1 . . . . 87 ALA QB . 17282 1 676 . 1 1 87 87 ALA HB2 H 1 1.462 0.013 . 1 . . . . 87 ALA QB . 17282 1 677 . 1 1 87 87 ALA HB3 H 1 1.462 0.013 . 1 . . . . 87 ALA QB . 17282 1 678 . 1 1 87 87 ALA C C 13 177.739 0.000 . 1 . . . . 87 ALA C . 17282 1 679 . 1 1 87 87 ALA CA C 13 51.852 0.145 . 1 . . . . 87 ALA CA . 17282 1 680 . 1 1 87 87 ALA CB C 13 18.871 0.081 . 1 . . . . 87 ALA CB . 17282 1 681 . 1 1 87 87 ALA N N 15 117.879 0.025 . 1 . . . . 87 ALA N . 17282 1 682 . 1 1 88 88 ILE H H 1 7.106 0.006 . 1 . . . . 88 ILE H . 17282 1 683 . 1 1 88 88 ILE HA H 1 3.730 0.011 . 1 . . . . 88 ILE HA . 17282 1 684 . 1 1 88 88 ILE HB H 1 1.846 0.011 . 1 . . . . 88 ILE HB . 17282 1 685 . 1 1 88 88 ILE HG13 H 1 0.906 0.013 . 2 . . . . 88 ILE HG13 . 17282 1 686 . 1 1 88 88 ILE HG21 H 1 0.892 0.009 . 1 . . . . 88 ILE QG2 . 17282 1 687 . 1 1 88 88 ILE HG22 H 1 0.892 0.009 . 1 . . . . 88 ILE QG2 . 17282 1 688 . 1 1 88 88 ILE HG23 H 1 0.892 0.009 . 1 . . . . 88 ILE QG2 . 17282 1 689 . 1 1 88 88 ILE HD11 H 1 0.700 0.008 . 1 . . . . 88 ILE QD1 . 17282 1 690 . 1 1 88 88 ILE HD12 H 1 0.700 0.008 . 1 . . . . 88 ILE QD1 . 17282 1 691 . 1 1 88 88 ILE HD13 H 1 0.700 0.008 . 1 . . . . 88 ILE QD1 . 17282 1 692 . 1 1 88 88 ILE C C 13 174.360 0.000 . 1 . . . . 88 ILE C . 17282 1 693 . 1 1 88 88 ILE CA C 13 62.897 0.111 . 1 . . . . 88 ILE CA . 17282 1 694 . 1 1 88 88 ILE CB C 13 37.850 0.131 . 1 . . . . 88 ILE CB . 17282 1 695 . 1 1 88 88 ILE CG1 C 13 28.398 0.197 . 1 . . . . 88 ILE CG1 . 17282 1 696 . 1 1 88 88 ILE CG2 C 13 16.869 0.077 . 1 . . . . 88 ILE CG2 . 17282 1 697 . 1 1 88 88 ILE CD1 C 13 14.427 0.040 . 1 . . . . 88 ILE CD1 . 17282 1 698 . 1 1 88 88 ILE N N 15 120.654 0.022 . 1 . . . . 88 ILE N . 17282 1 699 . 1 1 89 89 LYS H H 1 8.418 0.006 . 1 . . . . 89 LYS H . 17282 1 700 . 1 1 89 89 LYS HA H 1 4.782 0.008 . 1 . . . . 89 LYS HA . 17282 1 701 . 1 1 89 89 LYS HB2 H 1 1.707 0.013 . 2 . . . . 89 LYS HB2 . 17282 1 702 . 1 1 89 89 LYS HB3 H 1 1.876 0.015 . 2 . . . . 89 LYS HB3 . 17282 1 703 . 1 1 89 89 LYS HG2 H 1 1.506 0.013 . 2 . . . . 89 LYS HG2 . 17282 1 704 . 1 1 89 89 LYS HG3 H 1 1.584 0.009 . 2 . . . . 89 LYS HG3 . 17282 1 705 . 1 1 89 89 LYS HD2 H 1 1.694 0.007 . 2 . . . . 89 LYS QD . 17282 1 706 . 1 1 89 89 LYS HD3 H 1 1.694 0.007 . 2 . . . . 89 LYS QD . 17282 1 707 . 1 1 89 89 LYS HE2 H 1 2.996 0.014 . 2 . . . . 89 LYS HE2 . 17282 1 708 . 1 1 89 89 LYS HE3 H 1 3.050 0.001 . 2 . . . . 89 LYS HE3 . 17282 1 709 . 1 1 89 89 LYS C C 13 179.164 0.000 . 1 . . . . 89 LYS C . 17282 1 710 . 1 1 89 89 LYS CA C 13 53.846 0.060 . 1 . . . . 89 LYS CA . 17282 1 711 . 1 1 89 89 LYS CB C 13 35.720 0.149 . 1 . . . . 89 LYS CB . 17282 1 712 . 1 1 89 89 LYS CG C 13 24.237 0.133 . 1 . . . . 89 LYS CG . 17282 1 713 . 1 1 89 89 LYS CD C 13 28.651 0.186 . 1 . . . . 89 LYS CD . 17282 1 714 . 1 1 89 89 LYS CE C 13 41.677 0.124 . 1 . . . . 89 LYS CE . 17282 1 715 . 1 1 89 89 LYS N N 15 125.095 0.028 . 1 . . . . 89 LYS N . 17282 1 716 . 1 1 90 90 ASN H H 1 9.417 0.008 . 1 . . . . 90 ASN H . 17282 1 717 . 1 1 90 90 ASN HA H 1 4.088 0.007 . 1 . . . . 90 ASN HA . 17282 1 718 . 1 1 90 90 ASN HB2 H 1 2.446 0.013 . 2 . . . . 90 ASN HB2 . 17282 1 719 . 1 1 90 90 ASN HB3 H 1 2.931 0.012 . 2 . . . . 90 ASN HB3 . 17282 1 720 . 1 1 90 90 ASN HD21 H 1 7.259 0.010 . 2 . . . . 90 ASN HD21 . 17282 1 721 . 1 1 90 90 ASN HD22 H 1 7.842 0.009 . 2 . . . . 90 ASN HD22 . 17282 1 722 . 1 1 90 90 ASN C C 13 175.997 0.000 . 1 . . . . 90 ASN C . 17282 1 723 . 1 1 90 90 ASN CA C 13 57.322 0.147 . 1 . . . . 90 ASN CA . 17282 1 724 . 1 1 90 90 ASN CB C 13 38.013 0.134 . 1 . . . . 90 ASN CB . 17282 1 725 . 1 1 90 90 ASN N N 15 121.410 0.032 . 1 . . . . 90 ASN N . 17282 1 726 . 1 1 90 90 ASN ND2 N 15 116.986 0.117 . 1 . . . . 90 ASN ND2 . 17282 1 727 . 1 1 91 91 THR H H 1 7.171 0.009 . 1 . . . . 91 THR H . 17282 1 728 . 1 1 91 91 THR HA H 1 3.953 0.010 . 1 . . . . 91 THR HA . 17282 1 729 . 1 1 91 91 THR HB H 1 4.234 0.006 . 1 . . . . 91 THR HB . 17282 1 730 . 1 1 91 91 THR HG21 H 1 1.224 0.010 . 1 . . . . 91 THR QG2 . 17282 1 731 . 1 1 91 91 THR HG22 H 1 1.224 0.010 . 1 . . . . 91 THR QG2 . 17282 1 732 . 1 1 91 91 THR HG23 H 1 1.224 0.010 . 1 . . . . 91 THR QG2 . 17282 1 733 . 1 1 91 91 THR C C 13 176.676 0.000 . 1 . . . . 91 THR C . 17282 1 734 . 1 1 91 91 THR CA C 13 64.593 0.083 . 1 . . . . 91 THR CA . 17282 1 735 . 1 1 91 91 THR CB C 13 67.407 0.105 . 1 . . . . 91 THR CB . 17282 1 736 . 1 1 91 91 THR CG2 C 13 22.580 0.095 . 1 . . . . 91 THR CG2 . 17282 1 737 . 1 1 91 91 THR N N 15 109.882 0.033 . 1 . . . . 91 THR N . 17282 1 738 . 1 1 92 92 ASP H H 1 7.109 0.010 . 1 . . . . 92 ASP H . 17282 1 739 . 1 1 92 92 ASP HA H 1 4.504 0.007 . 1 . . . . 92 ASP HA . 17282 1 740 . 1 1 92 92 ASP HB2 H 1 2.841 0.006 . 2 . . . . 92 ASP HB2 . 17282 1 741 . 1 1 92 92 ASP HB3 H 1 3.017 0.014 . 2 . . . . 92 ASP HB3 . 17282 1 742 . 1 1 92 92 ASP C C 13 178.825 0.000 . 1 . . . . 92 ASP C . 17282 1 743 . 1 1 92 92 ASP CA C 13 57.564 0.089 . 1 . . . . 92 ASP CA . 17282 1 744 . 1 1 92 92 ASP CB C 13 40.848 0.129 . 1 . . . . 92 ASP CB . 17282 1 745 . 1 1 92 92 ASP N N 15 121.918 0.040 . 1 . . . . 92 ASP N . 17282 1 746 . 1 1 93 93 ILE H H 1 7.117 0.008 . 1 . . . . 93 ILE H . 17282 1 747 . 1 1 93 93 ILE HA H 1 3.358 0.008 . 1 . . . . 93 ILE HA . 17282 1 748 . 1 1 93 93 ILE HB H 1 1.856 0.012 . 1 . . . . 93 ILE HB . 17282 1 749 . 1 1 93 93 ILE HG12 H 1 0.650 0.010 . 2 . . . . 93 ILE HG12 . 17282 1 750 . 1 1 93 93 ILE HG13 H 1 1.597 0.009 . 2 . . . . 93 ILE HG13 . 17282 1 751 . 1 1 93 93 ILE HG21 H 1 0.582 0.013 . 1 . . . . 93 ILE QG2 . 17282 1 752 . 1 1 93 93 ILE HG22 H 1 0.582 0.013 . 1 . . . . 93 ILE QG2 . 17282 1 753 . 1 1 93 93 ILE HG23 H 1 0.582 0.013 . 1 . . . . 93 ILE QG2 . 17282 1 754 . 1 1 93 93 ILE HD11 H 1 0.659 0.008 . 1 . . . . 93 ILE QD1 . 17282 1 755 . 1 1 93 93 ILE HD12 H 1 0.659 0.008 . 1 . . . . 93 ILE QD1 . 17282 1 756 . 1 1 93 93 ILE HD13 H 1 0.659 0.008 . 1 . . . . 93 ILE QD1 . 17282 1 757 . 1 1 93 93 ILE C C 13 176.516 0.000 . 1 . . . . 93 ILE C . 17282 1 758 . 1 1 93 93 ILE CA C 13 64.406 0.066 . 1 . . . . 93 ILE CA . 17282 1 759 . 1 1 93 93 ILE CB C 13 39.031 0.189 . 1 . . . . 93 ILE CB . 17282 1 760 . 1 1 93 93 ILE CG1 C 13 28.118 0.120 . 1 . . . . 93 ILE CG1 . 17282 1 761 . 1 1 93 93 ILE CG2 C 13 16.576 0.043 . 1 . . . . 93 ILE CG2 . 17282 1 762 . 1 1 93 93 ILE CD1 C 13 14.388 0.061 . 1 . . . . 93 ILE CD1 . 17282 1 763 . 1 1 93 93 ILE N N 15 120.622 0.034 . 1 . . . . 93 ILE N . 17282 1 764 . 1 1 94 94 ALA H H 1 8.215 0.008 . 1 . . . . 94 ALA H . 17282 1 765 . 1 1 94 94 ALA HA H 1 3.722 0.010 . 1 . . . . 94 ALA HA . 17282 1 766 . 1 1 94 94 ALA HB1 H 1 1.465 0.007 . 1 . . . . 94 ALA QB . 17282 1 767 . 1 1 94 94 ALA HB2 H 1 1.465 0.007 . 1 . . . . 94 ALA QB . 17282 1 768 . 1 1 94 94 ALA HB3 H 1 1.465 0.007 . 1 . . . . 94 ALA QB . 17282 1 769 . 1 1 94 94 ALA C C 13 179.869 0.000 . 1 . . . . 94 ALA C . 17282 1 770 . 1 1 94 94 ALA CA C 13 55.400 0.048 . 1 . . . . 94 ALA CA . 17282 1 771 . 1 1 94 94 ALA CB C 13 18.567 0.154 . 1 . . . . 94 ALA CB . 17282 1 772 . 1 1 94 94 ALA N N 15 118.665 0.040 . 1 . . . . 94 ALA N . 17282 1 773 . 1 1 95 95 GLU H H 1 8.032 0.012 . 1 . . . . 95 GLU H . 17282 1 774 . 1 1 95 95 GLU HA H 1 4.078 0.008 . 1 . . . . 95 GLU HA . 17282 1 775 . 1 1 95 95 GLU HB2 H 1 2.099 0.011 . 2 . . . . 95 GLU HB2 . 17282 1 776 . 1 1 95 95 GLU HB3 H 1 2.192 0.012 . 2 . . . . 95 GLU HB3 . 17282 1 777 . 1 1 95 95 GLU HG2 H 1 2.298 0.007 . 2 . . . . 95 GLU HG2 . 17282 1 778 . 1 1 95 95 GLU HG3 H 1 2.435 0.008 . 2 . . . . 95 GLU HG3 . 17282 1 779 . 1 1 95 95 GLU C C 13 179.496 0.000 . 1 . . . . 95 GLU C . 17282 1 780 . 1 1 95 95 GLU CA C 13 58.947 0.094 . 1 . . . . 95 GLU CA . 17282 1 781 . 1 1 95 95 GLU CB C 13 29.740 0.080 . 1 . . . . 95 GLU CB . 17282 1 782 . 1 1 95 95 GLU CG C 13 36.456 0.082 . 1 . . . . 95 GLU CG . 17282 1 783 . 1 1 95 95 GLU N N 15 116.339 0.026 . 1 . . . . 95 GLU N . 17282 1 784 . 1 1 96 96 GLU H H 1 7.692 0.011 . 1 . . . . 96 GLU H . 17282 1 785 . 1 1 96 96 GLU HA H 1 4.183 0.010 . 1 . . . . 96 GLU HA . 17282 1 786 . 1 1 96 96 GLU HB2 H 1 2.317 0.010 . 2 . . . . 96 GLU HB2 . 17282 1 787 . 1 1 96 96 GLU HB3 H 1 1.788 0.012 . 2 . . . . 96 GLU HB3 . 17282 1 788 . 1 1 96 96 GLU HG2 H 1 2.377 0.011 . 2 . . . . 96 GLU HG2 . 17282 1 789 . 1 1 96 96 GLU HG3 H 1 2.073 0.010 . 2 . . . . 96 GLU HG3 . 17282 1 790 . 1 1 96 96 GLU C C 13 177.716 0.000 . 1 . . . . 96 GLU C . 17282 1 791 . 1 1 96 96 GLU CA C 13 58.824 0.166 . 1 . . . . 96 GLU CA . 17282 1 792 . 1 1 96 96 GLU CB C 13 29.223 0.161 . 1 . . . . 96 GLU CB . 17282 1 793 . 1 1 96 96 GLU CG C 13 35.222 0.087 . 1 . . . . 96 GLU CG . 17282 1 794 . 1 1 96 96 GLU N N 15 120.504 0.020 . 1 . . . . 96 GLU N . 17282 1 795 . 1 1 97 97 LEU H H 1 7.311 0.013 . 1 . . . . 97 LEU H . 17282 1 796 . 1 1 97 97 LEU HG H 1 1.509 0.010 . 1 . . . . 97 LEU HG . 17282 1 797 . 1 1 97 97 LEU HD11 H 1 0.469 0.006 . 2 . . . . 97 LEU QD1 . 17282 1 798 . 1 1 97 97 LEU HD12 H 1 0.469 0.006 . 2 . . . . 97 LEU QD1 . 17282 1 799 . 1 1 97 97 LEU HD13 H 1 0.469 0.006 . 2 . . . . 97 LEU QD1 . 17282 1 800 . 1 1 97 97 LEU HD21 H 1 0.529 0.009 . 2 . . . . 97 LEU QD2 . 17282 1 801 . 1 1 97 97 LEU HD22 H 1 0.529 0.009 . 2 . . . . 97 LEU QD2 . 17282 1 802 . 1 1 97 97 LEU HD23 H 1 0.529 0.009 . 2 . . . . 97 LEU QD2 . 17282 1 803 . 1 1 97 97 LEU CA C 13 54.304 0.056 . 1 . . . . 97 LEU CA . 17282 1 804 . 1 1 97 97 LEU CB C 13 41.985 0.079 . 1 . . . . 97 LEU CB . 17282 1 805 . 1 1 97 97 LEU CG C 13 26.337 0.095 . 1 . . . . 97 LEU CG . 17282 1 806 . 1 1 97 97 LEU CD1 C 13 26.395 0.044 . 2 . . . . 97 LEU CD1 . 17282 1 807 . 1 1 97 97 LEU CD2 C 13 22.392 0.038 . 2 . . . . 97 LEU CD2 . 17282 1 808 . 1 1 97 97 LEU N N 15 112.634 0.040 . 1 . . . . 97 LEU N . 17282 1 809 . 1 1 98 98 GLU H H 1 7.711 0.014 . 1 . . . . 98 GLU H . 17282 1 810 . 1 1 98 98 GLU HA H 1 3.839 0.017 . 1 . . . . 98 GLU HA . 17282 1 811 . 1 1 98 98 GLU HB2 H 1 2.188 0.012 . 2 . . . . 98 GLU QB . 17282 1 812 . 1 1 98 98 GLU HB3 H 1 2.188 0.012 . 2 . . . . 98 GLU QB . 17282 1 813 . 1 1 98 98 GLU CA C 13 56.561 0.189 . 1 . . . . 98 GLU CA . 17282 1 814 . 1 1 98 98 GLU CB C 13 27.334 0.183 . 1 . . . . 98 GLU CB . 17282 1 815 . 1 1 101 101 PRO HA H 1 4.199 0.010 . 1 . . . . 101 PRO HA . 17282 1 816 . 1 1 101 101 PRO C C 13 179.555 0.000 . 1 . . . . 101 PRO C . 17282 1 817 . 1 1 101 101 PRO CA C 13 66.036 0.090 . 1 . . . . 101 PRO CA . 17282 1 818 . 1 1 101 101 PRO CB C 13 32.022 0.049 . 1 . . . . 101 PRO CB . 17282 1 819 . 1 1 102 102 VAL H H 1 7.591 0.009 . 1 . . . . 102 VAL H . 17282 1 820 . 1 1 102 102 VAL HA H 1 4.310 0.008 . 1 . . . . 102 VAL HA . 17282 1 821 . 1 1 102 102 VAL HB H 1 2.430 0.007 . 1 . . . . 102 VAL HB . 17282 1 822 . 1 1 102 102 VAL HG11 H 1 1.072 0.015 . 2 . . . . 102 VAL QG1 . 17282 1 823 . 1 1 102 102 VAL HG12 H 1 1.072 0.015 . 2 . . . . 102 VAL QG1 . 17282 1 824 . 1 1 102 102 VAL HG13 H 1 1.072 0.015 . 2 . . . . 102 VAL QG1 . 17282 1 825 . 1 1 102 102 VAL HG21 H 1 1.063 0.003 . 2 . . . . 102 VAL QG2 . 17282 1 826 . 1 1 102 102 VAL HG22 H 1 1.063 0.003 . 2 . . . . 102 VAL QG2 . 17282 1 827 . 1 1 102 102 VAL HG23 H 1 1.063 0.003 . 2 . . . . 102 VAL QG2 . 17282 1 828 . 1 1 102 102 VAL C C 13 176.084 0.000 . 1 . . . . 102 VAL C . 17282 1 829 . 1 1 102 102 VAL CA C 13 63.520 0.055 . 1 . . . . 102 VAL CA . 17282 1 830 . 1 1 102 102 VAL CB C 13 31.478 0.034 . 1 . . . . 102 VAL CB . 17282 1 831 . 1 1 102 102 VAL CG1 C 13 20.508 0.244 . 2 . . . . 102 VAL CG1 . 17282 1 832 . 1 1 102 102 VAL CG2 C 13 20.799 0.118 . 2 . . . . 102 VAL CG2 . 17282 1 833 . 1 1 102 102 VAL N N 15 110.246 0.034 . 1 . . . . 102 VAL N . 17282 1 834 . 1 1 103 103 LYS H H 1 8.106 0.006 . 1 . . . . 103 LYS H . 17282 1 835 . 1 1 103 103 LYS HA H 1 4.914 0.005 . 1 . . . . 103 LYS HA . 17282 1 836 . 1 1 103 103 LYS HB2 H 1 1.633 0.013 . 2 . . . . 103 LYS QB . 17282 1 837 . 1 1 103 103 LYS HB3 H 1 1.633 0.013 . 2 . . . . 103 LYS QB . 17282 1 838 . 1 1 103 103 LYS C C 13 177.579 0.000 . 1 . . . . 103 LYS C . 17282 1 839 . 1 1 103 103 LYS CA C 13 53.074 0.081 . 1 . . . . 103 LYS CA . 17282 1 840 . 1 1 103 103 LYS CB C 13 33.258 0.043 . 1 . . . . 103 LYS CB . 17282 1 841 . 1 1 103 103 LYS N N 15 116.508 0.032 . 1 . . . . 103 LYS N . 17282 1 842 . 1 1 104 104 ILE H H 1 7.596 0.005 . 1 . . . . 104 ILE H . 17282 1 843 . 1 1 104 104 ILE HA H 1 3.698 0.007 . 1 . . . . 104 ILE HA . 17282 1 844 . 1 1 104 104 ILE HB H 1 2.050 0.008 . 1 . . . . 104 ILE HB . 17282 1 845 . 1 1 104 104 ILE HG12 H 1 1.423 0.006 . 2 . . . . 104 ILE QG1 . 17282 1 846 . 1 1 104 104 ILE HG13 H 1 1.423 0.006 . 2 . . . . 104 ILE QG1 . 17282 1 847 . 1 1 104 104 ILE HG21 H 1 0.944 0.011 . 1 . . . . 104 ILE QG2 . 17282 1 848 . 1 1 104 104 ILE HG22 H 1 0.944 0.011 . 1 . . . . 104 ILE QG2 . 17282 1 849 . 1 1 104 104 ILE HG23 H 1 0.944 0.011 . 1 . . . . 104 ILE QG2 . 17282 1 850 . 1 1 104 104 ILE HD11 H 1 0.758 0.010 . 1 . . . . 104 ILE QD1 . 17282 1 851 . 1 1 104 104 ILE HD12 H 1 0.758 0.010 . 1 . . . . 104 ILE QD1 . 17282 1 852 . 1 1 104 104 ILE HD13 H 1 0.758 0.010 . 1 . . . . 104 ILE QD1 . 17282 1 853 . 1 1 104 104 ILE CA C 13 63.525 0.045 . 1 . . . . 104 ILE CA . 17282 1 854 . 1 1 104 104 ILE CB C 13 37.542 0.062 . 1 . . . . 104 ILE CB . 17282 1 855 . 1 1 104 104 ILE CG1 C 13 28.941 0.104 . 1 . . . . 104 ILE CG1 . 17282 1 856 . 1 1 104 104 ILE CG2 C 13 17.675 0.115 . 1 . . . . 104 ILE CG2 . 17282 1 857 . 1 1 104 104 ILE CD1 C 13 12.793 0.016 . 1 . . . . 104 ILE CD1 . 17282 1 858 . 1 1 104 104 ILE N N 15 122.825 0.023 . 1 . . . . 104 ILE N . 17282 1 859 . 1 1 105 105 HIS HA H 1 4.307 0.013 . 1 . . . . 105 HIS HA . 17282 1 860 . 1 1 105 105 HIS HB2 H 1 3.225 0.012 . 2 . . . . 105 HIS QB . 17282 1 861 . 1 1 105 105 HIS HB3 H 1 3.225 0.012 . 2 . . . . 105 HIS QB . 17282 1 862 . 1 1 105 105 HIS C C 13 177.034 0.000 . 1 . . . . 105 HIS C . 17282 1 863 . 1 1 105 105 HIS CA C 13 59.568 0.135 . 1 . . . . 105 HIS CA . 17282 1 864 . 1 1 105 105 HIS CB C 13 29.259 0.079 . 1 . . . . 105 HIS CB . 17282 1 865 . 1 1 106 106 CYS H H 1 7.450 0.009 . 1 . . . . 106 CYS H . 17282 1 866 . 1 1 106 106 CYS HA H 1 3.741 0.010 . 1 . . . . 106 CYS HA . 17282 1 867 . 1 1 106 106 CYS HB2 H 1 2.584 0.009 . 2 . . . . 106 CYS HB2 . 17282 1 868 . 1 1 106 106 CYS HB3 H 1 2.407 0.010 . 2 . . . . 106 CYS HB3 . 17282 1 869 . 1 1 106 106 CYS C C 13 175.625 0.000 . 1 . . . . 106 CYS C . 17282 1 870 . 1 1 106 106 CYS CA C 13 63.312 0.146 . 1 . . . . 106 CYS CA . 17282 1 871 . 1 1 106 106 CYS CB C 13 27.481 0.136 . 1 . . . . 106 CYS CB . 17282 1 872 . 1 1 106 106 CYS N N 15 120.070 0.037 . 1 . . . . 106 CYS N . 17282 1 873 . 1 1 107 107 SER H H 1 7.450 0.007 . 1 . . . . 107 SER H . 17282 1 874 . 1 1 107 107 SER HA H 1 3.856 0.014 . 1 . . . . 107 SER HA . 17282 1 875 . 1 1 107 107 SER HB2 H 1 4.389 0.016 . 2 . . . . 107 SER QB . 17282 1 876 . 1 1 107 107 SER HB3 H 1 4.389 0.016 . 2 . . . . 107 SER QB . 17282 1 877 . 1 1 107 107 SER C C 13 174.509 0.000 . 1 . . . . 107 SER C . 17282 1 878 . 1 1 107 107 SER CA C 13 61.216 0.093 . 1 . . . . 107 SER CA . 17282 1 879 . 1 1 107 107 SER CB C 13 63.168 0.291 . 1 . . . . 107 SER CB . 17282 1 880 . 1 1 107 107 SER N N 15 113.576 0.046 . 1 . . . . 107 SER N . 17282 1 881 . 1 1 108 108 ILE H H 1 6.751 0.012 . 1 . . . . 108 ILE H . 17282 1 882 . 1 1 108 108 ILE HA H 1 3.669 0.011 . 1 . . . . 108 ILE HA . 17282 1 883 . 1 1 108 108 ILE HB H 1 1.834 0.016 . 1 . . . . 108 ILE HB . 17282 1 884 . 1 1 108 108 ILE HG12 H 1 1.559 0.012 . 2 . . . . 108 ILE QG1 . 17282 1 885 . 1 1 108 108 ILE HG13 H 1 1.559 0.012 . 2 . . . . 108 ILE QG1 . 17282 1 886 . 1 1 108 108 ILE HG21 H 1 0.948 0.008 . 1 . . . . 108 ILE QG2 . 17282 1 887 . 1 1 108 108 ILE HG22 H 1 0.948 0.008 . 1 . . . . 108 ILE QG2 . 17282 1 888 . 1 1 108 108 ILE HG23 H 1 0.948 0.008 . 1 . . . . 108 ILE QG2 . 17282 1 889 . 1 1 108 108 ILE HD11 H 1 0.833 0.006 . 1 . . . . 108 ILE QD1 . 17282 1 890 . 1 1 108 108 ILE HD12 H 1 0.833 0.006 . 1 . . . . 108 ILE QD1 . 17282 1 891 . 1 1 108 108 ILE HD13 H 1 0.833 0.006 . 1 . . . . 108 ILE QD1 . 17282 1 892 . 1 1 108 108 ILE C C 13 176.874 0.000 . 1 . . . . 108 ILE C . 17282 1 893 . 1 1 108 108 ILE CA C 13 65.072 0.189 . 1 . . . . 108 ILE CA . 17282 1 894 . 1 1 108 108 ILE CB C 13 38.595 0.182 . 1 . . . . 108 ILE CB . 17282 1 895 . 1 1 108 108 ILE CG2 C 13 17.272 0.232 . 1 . . . . 108 ILE CG2 . 17282 1 896 . 1 1 108 108 ILE CD1 C 13 13.225 0.117 . 1 . . . . 108 ILE CD1 . 17282 1 897 . 1 1 108 108 ILE N N 15 126.592 0.033 . 1 . . . . 108 ILE N . 17282 1 898 . 1 1 109 109 LEU H H 1 8.003 0.007 . 1 . . . . 109 LEU H . 17282 1 899 . 1 1 109 109 LEU HA H 1 4.064 0.008 . 1 . . . . 109 LEU HA . 17282 1 900 . 1 1 109 109 LEU HB2 H 1 1.676 0.013 . 2 . . . . 109 LEU QB . 17282 1 901 . 1 1 109 109 LEU HB3 H 1 1.676 0.013 . 2 . . . . 109 LEU QB . 17282 1 902 . 1 1 109 109 LEU HG H 1 1.810 0.014 . 1 . . . . 109 LEU HG . 17282 1 903 . 1 1 109 109 LEU HD11 H 1 0.817 0.007 . 2 . . . . 109 LEU QD1 . 17282 1 904 . 1 1 109 109 LEU HD12 H 1 0.817 0.007 . 2 . . . . 109 LEU QD1 . 17282 1 905 . 1 1 109 109 LEU HD13 H 1 0.817 0.007 . 2 . . . . 109 LEU QD1 . 17282 1 906 . 1 1 109 109 LEU HD21 H 1 0.871 0.014 . 2 . . . . 109 LEU QD2 . 17282 1 907 . 1 1 109 109 LEU HD22 H 1 0.871 0.014 . 2 . . . . 109 LEU QD2 . 17282 1 908 . 1 1 109 109 LEU HD23 H 1 0.871 0.014 . 2 . . . . 109 LEU QD2 . 17282 1 909 . 1 1 109 109 LEU C C 13 177.594 0.000 . 1 . . . . 109 LEU C . 17282 1 910 . 1 1 109 109 LEU CA C 13 57.714 0.083 . 1 . . . . 109 LEU CA . 17282 1 911 . 1 1 109 109 LEU CB C 13 41.846 0.071 . 1 . . . . 109 LEU CB . 17282 1 912 . 1 1 109 109 LEU CG C 13 26.706 0.070 . 1 . . . . 109 LEU CG . 17282 1 913 . 1 1 109 109 LEU CD1 C 13 24.250 0.080 . 2 . . . . 109 LEU CD1 . 17282 1 914 . 1 1 109 109 LEU CD2 C 13 25.569 0.154 . 2 . . . . 109 LEU CD2 . 17282 1 915 . 1 1 109 109 LEU N N 15 119.328 0.041 . 1 . . . . 109 LEU N . 17282 1 916 . 1 1 110 110 ALA H H 1 7.071 0.008 . 1 . . . . 110 ALA H . 17282 1 917 . 1 1 110 110 ALA HA H 1 3.994 0.005 . 1 . . . . 110 ALA HA . 17282 1 918 . 1 1 110 110 ALA HB1 H 1 1.131 0.009 . 1 . . . . 110 ALA QB . 17282 1 919 . 1 1 110 110 ALA HB2 H 1 1.131 0.009 . 1 . . . . 110 ALA QB . 17282 1 920 . 1 1 110 110 ALA HB3 H 1 1.131 0.009 . 1 . . . . 110 ALA QB . 17282 1 921 . 1 1 110 110 ALA C C 13 178.180 0.000 . 1 . . . . 110 ALA C . 17282 1 922 . 1 1 110 110 ALA CA C 13 55.169 0.045 . 1 . . . . 110 ALA CA . 17282 1 923 . 1 1 110 110 ALA CB C 13 18.174 0.065 . 1 . . . . 110 ALA CB . 17282 1 924 . 1 1 110 110 ALA N N 15 117.470 0.069 . 1 . . . . 110 ALA N . 17282 1 925 . 1 1 111 111 GLU H H 1 7.373 0.008 . 1 . . . . 111 GLU H . 17282 1 926 . 1 1 111 111 GLU HA H 1 3.722 0.007 . 1 . . . . 111 GLU HA . 17282 1 927 . 1 1 111 111 GLU HB2 H 1 2.289 0.020 . 2 . . . . 111 GLU HB2 . 17282 1 928 . 1 1 111 111 GLU HG3 H 1 2.453 0.019 . 2 . . . . 111 GLU HG3 . 17282 1 929 . 1 1 111 111 GLU C C 13 177.922 0.000 . 1 . . . . 111 GLU C . 17282 1 930 . 1 1 111 111 GLU CA C 13 59.647 0.092 . 1 . . . . 111 GLU CA . 17282 1 931 . 1 1 111 111 GLU CB C 13 29.544 0.065 . 1 . . . . 111 GLU CB . 17282 1 932 . 1 1 111 111 GLU CG C 13 36.156 0.170 . 1 . . . . 111 GLU CG . 17282 1 933 . 1 1 111 111 GLU N N 15 118.013 0.042 . 1 . . . . 111 GLU N . 17282 1 934 . 1 1 112 112 ASP H H 1 8.771 0.007 . 1 . . . . 112 ASP H . 17282 1 935 . 1 1 112 112 ASP HA H 1 4.350 0.013 . 1 . . . . 112 ASP HA . 17282 1 936 . 1 1 112 112 ASP HB2 H 1 2.963 0.013 . 2 . . . . 112 ASP HB2 . 17282 1 937 . 1 1 112 112 ASP HB3 H 1 2.516 0.010 . 2 . . . . 112 ASP HB3 . 17282 1 938 . 1 1 112 112 ASP C C 13 179.868 0.000 . 1 . . . . 112 ASP C . 17282 1 939 . 1 1 112 112 ASP CA C 13 57.346 0.059 . 1 . . . . 112 ASP CA . 17282 1 940 . 1 1 112 112 ASP CB C 13 39.807 0.100 . 1 . . . . 112 ASP CB . 17282 1 941 . 1 1 112 112 ASP N N 15 119.418 0.024 . 1 . . . . 112 ASP N . 17282 1 942 . 1 1 113 113 ALA H H 1 8.960 0.006 . 1 . . . . 113 ALA H . 17282 1 943 . 1 1 113 113 ALA HA H 1 3.841 0.004 . 1 . . . . 113 ALA HA . 17282 1 944 . 1 1 113 113 ALA HB1 H 1 1.429 0.011 . 1 . . . . 113 ALA QB . 17282 1 945 . 1 1 113 113 ALA HB2 H 1 1.429 0.011 . 1 . . . . 113 ALA QB . 17282 1 946 . 1 1 113 113 ALA HB3 H 1 1.429 0.011 . 1 . . . . 113 ALA QB . 17282 1 947 . 1 1 113 113 ALA C C 13 179.283 0.000 . 1 . . . . 113 ALA C . 17282 1 948 . 1 1 113 113 ALA CA C 13 55.773 0.100 . 1 . . . . 113 ALA CA . 17282 1 949 . 1 1 113 113 ALA CB C 13 18.104 0.215 . 1 . . . . 113 ALA CB . 17282 1 950 . 1 1 113 113 ALA N N 15 124.637 0.026 . 1 . . . . 113 ALA N . 17282 1 951 . 1 1 114 114 ILE H H 1 7.868 0.010 . 1 . . . . 114 ILE H . 17282 1 952 . 1 1 114 114 ILE HA H 1 3.767 0.015 . 1 . . . . 114 ILE HA . 17282 1 953 . 1 1 114 114 ILE HB H 1 2.067 0.013 . 1 . . . . 114 ILE HB . 17282 1 954 . 1 1 114 114 ILE HG21 H 1 0.917 0.013 . 1 . . . . 114 ILE QG2 . 17282 1 955 . 1 1 114 114 ILE HG22 H 1 0.917 0.013 . 1 . . . . 114 ILE QG2 . 17282 1 956 . 1 1 114 114 ILE HG23 H 1 0.917 0.013 . 1 . . . . 114 ILE QG2 . 17282 1 957 . 1 1 114 114 ILE HD11 H 1 0.824 0.008 . 1 . . . . 114 ILE QD1 . 17282 1 958 . 1 1 114 114 ILE HD12 H 1 0.824 0.008 . 1 . . . . 114 ILE QD1 . 17282 1 959 . 1 1 114 114 ILE HD13 H 1 0.824 0.008 . 1 . . . . 114 ILE QD1 . 17282 1 960 . 1 1 114 114 ILE C C 13 177.779 0.000 . 1 . . . . 114 ILE C . 17282 1 961 . 1 1 114 114 ILE CA C 13 63.402 0.106 . 1 . . . . 114 ILE CA . 17282 1 962 . 1 1 114 114 ILE CB C 13 37.328 0.082 . 1 . . . . 114 ILE CB . 17282 1 963 . 1 1 114 114 ILE CG2 C 13 18.669 0.043 . 1 . . . . 114 ILE CG2 . 17282 1 964 . 1 1 114 114 ILE CD1 C 13 13.360 0.196 . 1 . . . . 114 ILE CD1 . 17282 1 965 . 1 1 114 114 ILE N N 15 118.097 0.037 . 1 . . . . 114 ILE N . 17282 1 966 . 1 1 115 115 LYS H H 1 7.973 0.006 . 1 . . . . 115 LYS H . 17282 1 967 . 1 1 115 115 LYS HA H 1 3.869 0.010 . 1 . . . . 115 LYS HA . 17282 1 968 . 1 1 115 115 LYS HB2 H 1 1.954 0.012 . 2 . . . . 115 LYS QB . 17282 1 969 . 1 1 115 115 LYS HB3 H 1 1.954 0.012 . 2 . . . . 115 LYS QB . 17282 1 970 . 1 1 115 115 LYS HG2 H 1 1.418 0.010 . 2 . . . . 115 LYS HG2 . 17282 1 971 . 1 1 115 115 LYS HG3 H 1 1.909 0.014 . 2 . . . . 115 LYS HG3 . 17282 1 972 . 1 1 115 115 LYS HD2 H 1 1.786 0.012 . 2 . . . . 115 LYS QD . 17282 1 973 . 1 1 115 115 LYS HD3 H 1 1.786 0.012 . 2 . . . . 115 LYS QD . 17282 1 974 . 1 1 115 115 LYS HE2 H 1 3.063 0.027 . 2 . . . . 115 LYS HE2 . 17282 1 975 . 1 1 115 115 LYS HE3 H 1 3.178 0.013 . 2 . . . . 115 LYS HE3 . 17282 1 976 . 1 1 115 115 LYS C C 13 179.913 0.000 . 1 . . . . 115 LYS C . 17282 1 977 . 1 1 115 115 LYS CA C 13 61.057 0.095 . 1 . . . . 115 LYS CA . 17282 1 978 . 1 1 115 115 LYS CB C 13 32.226 0.163 . 1 . . . . 115 LYS CB . 17282 1 979 . 1 1 115 115 LYS CG C 13 27.973 0.176 . 1 . . . . 115 LYS CG . 17282 1 980 . 1 1 115 115 LYS CD C 13 29.291 0.136 . 1 . . . . 115 LYS CD . 17282 1 981 . 1 1 115 115 LYS CE C 13 42.986 0.127 . 1 . . . . 115 LYS CE . 17282 1 982 . 1 1 115 115 LYS N N 15 119.586 0.035 . 1 . . . . 115 LYS N . 17282 1 983 . 1 1 116 116 ALA H H 1 8.545 0.008 . 1 . . . . 116 ALA H . 17282 1 984 . 1 1 116 116 ALA HA H 1 4.291 0.012 . 1 . . . . 116 ALA HA . 17282 1 985 . 1 1 116 116 ALA HB1 H 1 1.544 0.010 . 1 . . . . 116 ALA QB . 17282 1 986 . 1 1 116 116 ALA HB2 H 1 1.544 0.010 . 1 . . . . 116 ALA QB . 17282 1 987 . 1 1 116 116 ALA HB3 H 1 1.544 0.010 . 1 . . . . 116 ALA QB . 17282 1 988 . 1 1 116 116 ALA C C 13 180.019 0.000 . 1 . . . . 116 ALA C . 17282 1 989 . 1 1 116 116 ALA CA C 13 54.802 0.046 . 1 . . . . 116 ALA CA . 17282 1 990 . 1 1 116 116 ALA CB C 13 18.026 0.073 . 1 . . . . 116 ALA CB . 17282 1 991 . 1 1 116 116 ALA N N 15 122.711 0.028 . 1 . . . . 116 ALA N . 17282 1 992 . 1 1 117 117 ALA H H 1 8.431 0.007 . 1 . . . . 117 ALA H . 17282 1 993 . 1 1 117 117 ALA HA H 1 3.930 0.012 . 1 . . . . 117 ALA HA . 17282 1 994 . 1 1 117 117 ALA HB1 H 1 1.470 0.009 . 1 . . . . 117 ALA QB . 17282 1 995 . 1 1 117 117 ALA HB2 H 1 1.470 0.009 . 1 . . . . 117 ALA QB . 17282 1 996 . 1 1 117 117 ALA HB3 H 1 1.470 0.009 . 1 . . . . 117 ALA QB . 17282 1 997 . 1 1 117 117 ALA C C 13 179.692 0.000 . 1 . . . . 117 ALA C . 17282 1 998 . 1 1 117 117 ALA CA C 13 55.413 0.066 . 1 . . . . 117 ALA CA . 17282 1 999 . 1 1 117 117 ALA CB C 13 17.985 0.211 . 1 . . . . 117 ALA CB . 17282 1 1000 . 1 1 117 117 ALA N N 15 124.626 0.057 . 1 . . . . 117 ALA N . 17282 1 1001 . 1 1 118 118 ILE H H 1 8.247 0.008 . 1 . . . . 118 ILE H . 17282 1 1002 . 1 1 118 118 ILE HA H 1 3.560 0.012 . 1 . . . . 118 ILE HA . 17282 1 1003 . 1 1 118 118 ILE HB H 1 1.921 0.014 . 1 . . . . 118 ILE HB . 17282 1 1004 . 1 1 118 118 ILE HG12 H 1 1.977 0.014 . 2 . . . . 118 ILE QG1 . 17282 1 1005 . 1 1 118 118 ILE HG13 H 1 1.977 0.014 . 2 . . . . 118 ILE QG1 . 17282 1 1006 . 1 1 118 118 ILE HG21 H 1 0.986 0.011 . 1 . . . . 118 ILE QG2 . 17282 1 1007 . 1 1 118 118 ILE HG22 H 1 0.986 0.011 . 1 . . . . 118 ILE QG2 . 17282 1 1008 . 1 1 118 118 ILE HG23 H 1 0.986 0.011 . 1 . . . . 118 ILE QG2 . 17282 1 1009 . 1 1 118 118 ILE HD11 H 1 0.887 0.008 . 1 . . . . 118 ILE QD1 . 17282 1 1010 . 1 1 118 118 ILE HD12 H 1 0.887 0.008 . 1 . . . . 118 ILE QD1 . 17282 1 1011 . 1 1 118 118 ILE HD13 H 1 0.887 0.008 . 1 . . . . 118 ILE QD1 . 17282 1 1012 . 1 1 118 118 ILE C C 13 177.412 0.000 . 1 . . . . 118 ILE C . 17282 1 1013 . 1 1 118 118 ILE CA C 13 66.240 0.103 . 1 . . . . 118 ILE CA . 17282 1 1014 . 1 1 118 118 ILE CB C 13 38.801 0.100 . 1 . . . . 118 ILE CB . 17282 1 1015 . 1 1 118 118 ILE CG1 C 13 29.441 0.214 . 1 . . . . 118 ILE CG1 . 17282 1 1016 . 1 1 118 118 ILE CG2 C 13 17.286 0.061 . 1 . . . . 118 ILE CG2 . 17282 1 1017 . 1 1 118 118 ILE CD1 C 13 15.198 0.059 . 1 . . . . 118 ILE CD1 . 17282 1 1018 . 1 1 118 118 ILE N N 15 118.693 0.027 . 1 . . . . 118 ILE N . 17282 1 1019 . 1 1 119 119 ALA H H 1 8.121 0.007 . 1 . . . . 119 ALA H . 17282 1 1020 . 1 1 119 119 ALA HA H 1 4.126 0.013 . 1 . . . . 119 ALA HA . 17282 1 1021 . 1 1 119 119 ALA HB1 H 1 1.553 0.009 . 1 . . . . 119 ALA QB . 17282 1 1022 . 1 1 119 119 ALA HB2 H 1 1.553 0.009 . 1 . . . . 119 ALA QB . 17282 1 1023 . 1 1 119 119 ALA HB3 H 1 1.553 0.009 . 1 . . . . 119 ALA QB . 17282 1 1024 . 1 1 119 119 ALA C C 13 180.772 0.000 . 1 . . . . 119 ALA C . 17282 1 1025 . 1 1 119 119 ALA CA C 13 55.211 0.154 . 1 . . . . 119 ALA CA . 17282 1 1026 . 1 1 119 119 ALA CB C 13 17.885 0.039 . 1 . . . . 119 ALA CB . 17282 1 1027 . 1 1 119 119 ALA N N 15 121.498 0.027 . 1 . . . . 119 ALA N . 17282 1 1028 . 1 1 120 120 ASP H H 1 8.260 0.005 . 1 . . . . 120 ASP H . 17282 1 1029 . 1 1 120 120 ASP HA H 1 4.466 0.008 . 1 . . . . 120 ASP HA . 17282 1 1030 . 1 1 120 120 ASP HB2 H 1 2.950 0.014 . 2 . . . . 120 ASP QB . 17282 1 1031 . 1 1 120 120 ASP HB3 H 1 2.950 0.014 . 2 . . . . 120 ASP QB . 17282 1 1032 . 1 1 120 120 ASP C C 13 178.379 0.000 . 1 . . . . 120 ASP C . 17282 1 1033 . 1 1 120 120 ASP CA C 13 57.861 0.069 . 1 . . . . 120 ASP CA . 17282 1 1034 . 1 1 120 120 ASP CB C 13 43.713 0.077 . 1 . . . . 120 ASP CB . 17282 1 1035 . 1 1 120 120 ASP N N 15 119.702 0.040 . 1 . . . . 120 ASP N . 17282 1 1036 . 1 1 121 121 TYR H H 1 8.225 0.008 . 1 . . . . 121 TYR H . 17282 1 1037 . 1 1 121 121 TYR HA H 1 3.951 0.009 . 1 . . . . 121 TYR HA . 17282 1 1038 . 1 1 121 121 TYR HB2 H 1 2.899 0.016 . 2 . . . . 121 TYR HB2 . 17282 1 1039 . 1 1 121 121 TYR HB3 H 1 3.183 0.012 . 2 . . . . 121 TYR HB3 . 17282 1 1040 . 1 1 121 121 TYR HD1 H 1 6.725 0.011 . 3 . . . . 121 TYR QD . 17282 1 1041 . 1 1 121 121 TYR HD2 H 1 6.725 0.011 . 3 . . . . 121 TYR QD . 17282 1 1042 . 1 1 121 121 TYR C C 13 177.562 0.000 . 1 . . . . 121 TYR C . 17282 1 1043 . 1 1 121 121 TYR CA C 13 62.350 0.056 . 1 . . . . 121 TYR CA . 17282 1 1044 . 1 1 121 121 TYR CB C 13 38.207 0.133 . 1 . . . . 121 TYR CB . 17282 1 1045 . 1 1 121 121 TYR N N 15 119.498 0.030 . 1 . . . . 121 TYR N . 17282 1 1046 . 1 1 122 122 LYS H H 1 8.689 0.008 . 1 . . . . 122 LYS H . 17282 1 1047 . 1 1 122 122 LYS HA H 1 3.612 0.009 . 1 . . . . 122 LYS HA . 17282 1 1048 . 1 1 122 122 LYS HB2 H 1 1.895 0.014 . 2 . . . . 122 LYS QB . 17282 1 1049 . 1 1 122 122 LYS HB3 H 1 1.895 0.014 . 2 . . . . 122 LYS QB . 17282 1 1050 . 1 1 122 122 LYS HG2 H 1 1.444 0.015 . 2 . . . . 122 LYS HG2 . 17282 1 1051 . 1 1 122 122 LYS HG3 H 1 1.921 0.014 . 2 . . . . 122 LYS HG3 . 17282 1 1052 . 1 1 122 122 LYS HD2 H 1 1.715 0.012 . 2 . . . . 122 LYS QD . 17282 1 1053 . 1 1 122 122 LYS HD3 H 1 1.715 0.012 . 2 . . . . 122 LYS QD . 17282 1 1054 . 1 1 122 122 LYS HE2 H 1 2.841 0.010 . 2 . . . . 122 LYS HE2 . 17282 1 1055 . 1 1 122 122 LYS HE3 H 1 2.960 0.009 . 2 . . . . 122 LYS HE3 . 17282 1 1056 . 1 1 122 122 LYS C C 13 179.463 0.000 . 1 . . . . 122 LYS C . 17282 1 1057 . 1 1 122 122 LYS CA C 13 60.481 0.151 . 1 . . . . 122 LYS CA . 17282 1 1058 . 1 1 122 122 LYS CB C 13 32.511 0.110 . 1 . . . . 122 LYS CB . 17282 1 1059 . 1 1 122 122 LYS CG C 13 26.884 0.164 . 1 . . . . 122 LYS CG . 17282 1 1060 . 1 1 122 122 LYS CD C 13 29.776 0.183 . 1 . . . . 122 LYS CD . 17282 1 1061 . 1 1 122 122 LYS CE C 13 41.987 0.115 . 1 . . . . 122 LYS CE . 17282 1 1062 . 1 1 122 122 LYS N N 15 117.587 0.024 . 1 . . . . 122 LYS N . 17282 1 1063 . 1 1 123 123 SER H H 1 8.210 0.006 . 1 . . . . 123 SER H . 17282 1 1064 . 1 1 123 123 SER HA H 1 4.255 0.005 . 1 . . . . 123 SER HA . 17282 1 1065 . 1 1 123 123 SER HB2 H 1 4.084 0.011 . 2 . . . . 123 SER QB . 17282 1 1066 . 1 1 123 123 SER HB3 H 1 4.084 0.011 . 2 . . . . 123 SER QB . 17282 1 1067 . 1 1 123 123 SER C C 13 176.367 0.000 . 1 . . . . 123 SER C . 17282 1 1068 . 1 1 123 123 SER CA C 13 61.240 0.101 . 1 . . . . 123 SER CA . 17282 1 1069 . 1 1 123 123 SER CB C 13 62.867 0.148 . 1 . . . . 123 SER CB . 17282 1 1070 . 1 1 123 123 SER N N 15 114.995 0.020 . 1 . . . . 123 SER N . 17282 1 1071 . 1 1 124 124 LYS H H 1 7.522 0.006 . 1 . . . . 124 LYS H . 17282 1 1072 . 1 1 124 124 LYS HA H 1 4.156 0.013 . 1 . . . . 124 LYS HA . 17282 1 1073 . 1 1 124 124 LYS HB2 H 1 1.861 0.024 . 2 . . . . 124 LYS QB . 17282 1 1074 . 1 1 124 124 LYS HB3 H 1 1.861 0.024 . 2 . . . . 124 LYS QB . 17282 1 1075 . 1 1 124 124 LYS HG2 H 1 1.411 0.005 . 2 . . . . 124 LYS HG2 . 17282 1 1076 . 1 1 124 124 LYS HG3 H 1 1.713 0.012 . 2 . . . . 124 LYS HG3 . 17282 1 1077 . 1 1 124 124 LYS HD2 H 1 1.727 0.006 . 2 . . . . 124 LYS QD . 17282 1 1078 . 1 1 124 124 LYS HD3 H 1 1.727 0.006 . 2 . . . . 124 LYS QD . 17282 1 1079 . 1 1 124 124 LYS HE2 H 1 3.008 0.012 . 2 . . . . 124 LYS HE2 . 17282 1 1080 . 1 1 124 124 LYS HE3 H 1 3.119 0.009 . 2 . . . . 124 LYS HE3 . 17282 1 1081 . 1 1 124 124 LYS C C 13 177.923 0.000 . 1 . . . . 124 LYS C . 17282 1 1082 . 1 1 124 124 LYS CA C 13 58.400 0.050 . 1 . . . . 124 LYS CA . 17282 1 1083 . 1 1 124 124 LYS CB C 13 32.689 0.086 . 1 . . . . 124 LYS CB . 17282 1 1084 . 1 1 124 124 LYS CG C 13 25.820 0.060 . 1 . . . . 124 LYS CG . 17282 1 1085 . 1 1 124 124 LYS CD C 13 29.832 0.220 . 1 . . . . 124 LYS CD . 17282 1 1086 . 1 1 124 124 LYS CE C 13 42.813 0.106 . 1 . . . . 124 LYS CE . 17282 1 1087 . 1 1 124 124 LYS N N 15 121.407 0.016 . 1 . . . . 124 LYS N . 17282 1 1088 . 1 1 125 125 ARG H H 1 7.445 0.011 . 1 . . . . 125 ARG H . 17282 1 1089 . 1 1 125 125 ARG HA H 1 4.210 0.012 . 1 . . . . 125 ARG HA . 17282 1 1090 . 1 1 125 125 ARG HB2 H 1 1.569 0.006 . 2 . . . . 125 ARG HB2 . 17282 1 1091 . 1 1 125 125 ARG HB3 H 1 1.796 0.011 . 2 . . . . 125 ARG HB3 . 17282 1 1092 . 1 1 125 125 ARG HG2 H 1 1.437 0.020 . 2 . . . . 125 ARG QG . 17282 1 1093 . 1 1 125 125 ARG HG3 H 1 1.437 0.020 . 2 . . . . 125 ARG QG . 17282 1 1094 . 1 1 125 125 ARG HD2 H 1 2.968 0.007 . 2 . . . . 125 ARG QD . 17282 1 1095 . 1 1 125 125 ARG HD3 H 1 2.968 0.007 . 2 . . . . 125 ARG QD . 17282 1 1096 . 1 1 125 125 ARG C C 13 176.828 0.000 . 1 . . . . 125 ARG C . 17282 1 1097 . 1 1 125 125 ARG CA C 13 55.981 0.090 . 1 . . . . 125 ARG CA . 17282 1 1098 . 1 1 125 125 ARG CB C 13 29.924 0.126 . 1 . . . . 125 ARG CB . 17282 1 1099 . 1 1 125 125 ARG CG C 13 25.912 0.130 . 1 . . . . 125 ARG CG . 17282 1 1100 . 1 1 125 125 ARG CD C 13 42.695 0.085 . 1 . . . . 125 ARG CD . 17282 1 1101 . 1 1 125 125 ARG N N 15 117.597 0.018 . 1 . . . . 125 ARG N . 17282 1 1102 . 1 1 126 126 GLU H H 1 7.742 0.008 . 1 . . . . 126 GLU H . 17282 1 1103 . 1 1 126 126 GLU HA H 1 4.208 0.010 . 1 . . . . 126 GLU HA . 17282 1 1104 . 1 1 126 126 GLU HB2 H 1 1.971 0.014 . 2 . . . . 126 GLU HB2 . 17282 1 1105 . 1 1 126 126 GLU HB3 H 1 2.036 0.016 . 2 . . . . 126 GLU HB3 . 17282 1 1106 . 1 1 126 126 GLU HG2 H 1 2.276 0.022 . 2 . . . . 126 GLU HG2 . 17282 1 1107 . 1 1 126 126 GLU HG3 H 1 2.344 0.010 . 2 . . . . 126 GLU HG3 . 17282 1 1108 . 1 1 126 126 GLU C C 13 176.121 0.000 . 1 . . . . 126 GLU C . 17282 1 1109 . 1 1 126 126 GLU CA C 13 56.683 0.057 . 1 . . . . 126 GLU CA . 17282 1 1110 . 1 1 126 126 GLU CB C 13 30.185 0.030 . 1 . . . . 126 GLU CB . 17282 1 1111 . 1 1 126 126 GLU CG C 13 36.331 0.081 . 1 . . . . 126 GLU CG . 17282 1 1112 . 1 1 126 126 GLU N N 15 119.608 0.017 . 1 . . . . 126 GLU N . 17282 1 1113 . 1 1 127 127 ALA H H 1 7.963 0.004 . 1 . . . . 127 ALA H . 17282 1 1114 . 1 1 127 127 ALA HA H 1 4.325 0.008 . 1 . . . . 127 ALA HA . 17282 1 1115 . 1 1 127 127 ALA HB1 H 1 1.403 0.009 . 1 . . . . 127 ALA QB . 17282 1 1116 . 1 1 127 127 ALA HB2 H 1 1.403 0.009 . 1 . . . . 127 ALA QB . 17282 1 1117 . 1 1 127 127 ALA HB3 H 1 1.403 0.009 . 1 . . . . 127 ALA QB . 17282 1 1118 . 1 1 127 127 ALA C C 13 176.666 0.000 . 1 . . . . 127 ALA C . 17282 1 1119 . 1 1 127 127 ALA CA C 13 52.482 0.021 . 1 . . . . 127 ALA CA . 17282 1 1120 . 1 1 127 127 ALA CB C 13 18.980 0.124 . 1 . . . . 127 ALA CB . 17282 1 1121 . 1 1 127 127 ALA N N 15 124.704 0.018 . 1 . . . . 127 ALA N . 17282 1 1122 . 1 1 128 128 LYS H H 1 7.772 0.007 . 1 . . . . 128 LYS H . 17282 1 1123 . 1 1 128 128 LYS HA H 1 4.141 0.002 . 1 . . . . 128 LYS HA . 17282 1 1124 . 1 1 128 128 LYS HB2 H 1 1.709 0.005 . 2 . . . . 128 LYS HB2 . 17282 1 1125 . 1 1 128 128 LYS HB3 H 1 1.827 0.006 . 2 . . . . 128 LYS HB3 . 17282 1 1126 . 1 1 128 128 LYS HG2 H 1 1.405 0.003 . 2 . . . . 128 LYS QG . 17282 1 1127 . 1 1 128 128 LYS HG3 H 1 1.405 0.003 . 2 . . . . 128 LYS QG . 17282 1 1128 . 1 1 128 128 LYS HD2 H 1 1.660 0.004 . 2 . . . . 128 LYS QD . 17282 1 1129 . 1 1 128 128 LYS HD3 H 1 1.660 0.004 . 2 . . . . 128 LYS QD . 17282 1 1130 . 1 1 128 128 LYS HE2 H 1 2.990 0.010 . 2 . . . . 128 LYS QE . 17282 1 1131 . 1 1 128 128 LYS HE3 H 1 2.990 0.010 . 2 . . . . 128 LYS QE . 17282 1 1132 . 1 1 128 128 LYS CA C 13 57.749 0.231 . 1 . . . . 128 LYS CA . 17282 1 1133 . 1 1 128 128 LYS CB C 13 33.602 0.094 . 1 . . . . 128 LYS CB . 17282 1 1134 . 1 1 128 128 LYS CG C 13 24.747 0.058 . 1 . . . . 128 LYS CG . 17282 1 1135 . 1 1 128 128 LYS CD C 13 29.052 0.067 . 1 . . . . 128 LYS CD . 17282 1 1136 . 1 1 128 128 LYS CE C 13 42.237 0.038 . 1 . . . . 128 LYS CE . 17282 1 1137 . 1 1 128 128 LYS N N 15 126.130 0.017 . 1 . . . . 128 LYS N . 17282 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 17282 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 750 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 12 '2D IPAP 1H-15N HSQC' . . . 17282 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 3 $SPARKY . . 17282 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 16 16 ASN H H 1 . . 1 1 16 16 ASN N N 15 . -16.8 . . 0.25 . . . 1 16 ASN H 1 16 ASN N 17282 1 2 DHN . 1 1 18 18 GLY H H 1 . . 1 1 18 18 GLY N N 15 . -14.85 . . 0.25 . . . 1 18 GLY H 1 18 GLY N 17282 1 3 DHN . 1 1 19 19 SER H H 1 . . 1 1 19 19 SER N N 15 . -13.23 . . 0.25 . . . 1 19 SER H 1 19 SER N 17282 1 4 DHN . 1 1 20 20 PHE H H 1 . . 1 1 20 20 PHE N N 15 . -19.84 . . 0.25 . . . 1 20 PHE H 1 20 PHE N 17282 1 5 DHN . 1 1 24 24 ASP H H 1 . . 1 1 24 24 ASP N N 15 . 10.88 . . 0.25 . . . 1 24 ASP H 1 24 ASP N 17282 1 6 DHN . 1 1 25 25 GLU H H 1 . . 1 1 25 25 GLU N N 15 . -9.2 . . 0.25 . . . 1 25 GLU H 1 25 GLU N 17282 1 7 DHN . 1 1 26 26 ASN H H 1 . . 1 1 26 26 ASN N N 15 . -12.74 . . 0.25 . . . 1 26 ASN H 1 26 ASN N 17282 1 8 DHN . 1 1 27 27 VAL H H 1 . . 1 1 27 27 VAL N N 15 . 2.6 . . 0.25 . . . 1 27 VAL H 1 27 VAL N 17282 1 9 DHN . 1 1 28 28 GLY H H 1 . . 1 1 28 28 GLY N N 15 . 1.29 . . 0.25 . . . 1 28 GLY H 1 28 GLY N 17282 1 10 DHN . 1 1 29 29 SER H H 1 . . 1 1 29 29 SER N N 15 . 4.84 . . 0.25 . . . 1 29 SER H 1 29 SER N 17282 1 11 DHN . 1 1 30 30 GLY H H 1 . . 1 1 30 30 GLY N N 15 . -9.73 . . 0.25 . . . 1 30 GLY H 1 30 GLY N 17282 1 12 DHN . 1 1 31 31 MET H H 1 . . 1 1 31 31 MET N N 15 . -10.87 . . 0.25 . . . 1 31 MET H 1 31 MET N 17282 1 13 DHN . 1 1 32 32 VAL H H 1 . . 1 1 32 32 VAL N N 15 . -12.63 . . 0.25 . . . 1 32 VAL H 1 32 VAL N 17282 1 14 DHN . 1 1 33 33 GLY H H 1 . . 1 1 33 33 GLY N N 15 . -3.05 . . 0.25 . . . 1 33 GLY H 1 33 GLY N 17282 1 15 DHN . 1 1 34 34 ALA H H 1 . . 1 1 34 34 ALA N N 15 . -4.98 . . 0.25 . . . 1 34 ALA H 1 34 ALA N 17282 1 16 DHN . 1 1 44 44 GLN H H 1 . . 1 1 44 44 GLN N N 15 . -0.91 . . 0.25 . . . 1 44 GLN H 1 44 GLN N 17282 1 17 DHN . 1 1 45 45 ILE H H 1 . . 1 1 45 45 ILE N N 15 . -4.26 . . 0.25 . . . 1 45 ILE H 1 45 ILE N 17282 1 18 DHN . 1 1 46 46 LYS H H 1 . . 1 1 46 46 LYS N N 15 . 4.19 . . 0.25 . . . 1 46 LYS H 1 46 LYS N 17282 1 19 DHN . 1 1 47 47 VAL H H 1 . . 1 1 47 47 VAL N N 15 . -1.3 . . 0.25 . . . 1 47 VAL H 1 47 VAL N 17282 1 20 DHN . 1 1 48 48 ASN H H 1 . . 1 1 48 48 ASN N N 15 . -0.91 . . 0.25 . . . 1 48 ASN H 1 48 ASN N 17282 1 21 DHN . 1 1 49 49 ASP H H 1 . . 1 1 49 49 ASP N N 15 . -14.84 . . 0.25 . . . 1 49 ASP H 1 49 ASP N 17282 1 22 DHN . 1 1 50 50 GLU H H 1 . . 1 1 50 50 GLU N N 15 . 1.43 . . 0.25 . . . 1 50 GLU H 1 50 GLU N 17282 1 23 DHN . 1 1 51 51 GLY H H 1 . . 1 1 51 51 GLY N N 15 . -7.68 . . 0.25 . . . 1 51 GLY H 1 51 GLY N 17282 1 24 DHN . 1 1 52 52 ILE H H 1 . . 1 1 52 52 ILE N N 15 . -10.03 . . 0.25 . . . 1 52 ILE H 1 52 ILE N 17282 1 25 DHN . 1 1 53 53 ILE H H 1 . . 1 1 53 53 ILE N N 15 . -4.1 . . 0.25 . . . 1 53 ILE H 1 53 ILE N 17282 1 26 DHN . 1 1 54 54 GLU H H 1 . . 1 1 54 54 GLU N N 15 . 0 . . 0.25 . . . 1 54 GLU H 1 54 GLU N 17282 1 27 DHN . 1 1 56 56 ALA H H 1 . . 1 1 56 56 ALA N N 15 . -12.77 . . 0.25 . . . 1 56 ALA H 1 56 ALA N 17282 1 28 DHN . 1 1 57 57 ARG H H 1 . . 1 1 57 57 ARG N N 15 . -11.25 . . 0.25 . . . 1 57 ARG H 1 57 ARG N 17282 1 29 DHN . 1 1 58 58 PHE H H 1 . . 1 1 58 58 PHE N N 15 . -10.56 . . 0.25 . . . 1 58 PHE H 1 58 PHE N 17282 1 30 DHN . 1 1 59 59 LYS H H 1 . . 1 1 59 59 LYS N N 15 . -15.73 . . 0.25 . . . 1 59 LYS H 1 59 LYS N 17282 1 31 DHN . 1 1 74 74 THR H H 1 . . 1 1 74 74 THR N N 15 . 11.56 . . 0.25 . . . 1 74 THR H 1 74 THR N 17282 1 32 DHN . 1 1 75 75 GLU H H 1 . . 1 1 75 75 GLU N N 15 . 6.54 . . 0.25 . . . 1 75 GLU H 1 75 GLU N 17282 1 33 DHN . 1 1 76 76 TRP H H 1 . . 1 1 76 76 TRP N N 15 . 4.49 . . 0.25 . . . 1 76 TRP H 1 76 TRP N 17282 1 34 DHN . 1 1 76 76 TRP HE1 H 1 . . 1 1 76 76 TRP NE1 N 15 . -0.38 . . 0.25 . . . 1 76 TRP HE1 1 76 TRP NE1 17282 1 35 DHN . 1 1 77 77 VAL H H 1 . . 1 1 77 77 VAL N N 15 . 7.68 . . 0.25 . . . 1 77 VAL H 1 77 VAL N 17282 1 36 DHN . 1 1 78 78 LYS H H 1 . . 1 1 78 78 LYS N N 15 . 13.91 . . 0.25 . . . 1 78 LYS H 1 78 LYS N 17282 1 37 DHN . 1 1 79 79 GLY H H 1 . . 1 1 79 79 GLY N N 15 . 3.73 . . 0.25 . . . 1 79 GLY H 1 79 GLY N 17282 1 38 DHN . 1 1 80 80 LYS H H 1 . . 1 1 80 80 LYS N N 15 . 4.45 . . 0.25 . . . 1 80 LYS H 1 80 LYS N 17282 1 39 DHN . 1 1 81 81 SER H H 1 . . 1 1 81 81 SER N N 15 . -0.06 . . 0.25 . . . 1 81 SER H 1 81 SER N 17282 1 40 DHN . 1 1 82 82 LEU H H 1 . . 1 1 82 82 LEU N N 15 . 3.57 . . 0.25 . . . 1 82 LEU H 1 82 LEU N 17282 1 41 DHN . 1 1 83 83 ASP H H 1 . . 1 1 83 83 ASP N N 15 . 1.29 . . 0.25 . . . 1 83 ASP H 1 83 ASP N 17282 1 42 DHN . 1 1 84 84 GLU H H 1 . . 1 1 84 84 GLU N N 15 . -9.12 . . 0.25 . . . 1 84 GLU H 1 84 GLU N 17282 1 43 DHN . 1 1 85 85 ALA H H 1 . . 1 1 85 85 ALA N N 15 . 3.87 . . 0.25 . . . 1 85 ALA H 1 85 ALA N 17282 1 44 DHN . 1 1 86 86 GLN H H 1 . . 1 1 86 86 GLN N N 15 . 7.52 . . 0.25 . . . 1 86 GLN H 1 86 GLN N 17282 1 45 DHN . 1 1 87 87 ALA H H 1 . . 1 1 87 87 ALA N N 15 . -12.69 . . 0.25 . . . 1 87 ALA H 1 87 ALA N 17282 1 46 DHN . 1 1 89 89 LYS H H 1 . . 1 1 89 89 LYS N N 15 . -16.15 . . 0.25 . . . 1 89 LYS H 1 89 LYS N 17282 1 47 DHN . 1 1 90 90 ASN H H 1 . . 1 1 90 90 ASN N N 15 . -2.05 . . 0.25 . . . 1 90 ASN H 1 90 ASN N 17282 1 48 DHN . 1 1 91 91 THR H H 1 . . 1 1 91 91 THR N N 15 . -5.01 . . 0.25 . . . 1 91 THR H 1 91 THR N 17282 1 49 DHN . 1 1 92 92 ASP H H 1 . . 1 1 92 92 ASP N N 15 . 10.04 . . 0.25 . . . 1 92 ASP H 1 92 ASP N 17282 1 50 DHN . 1 1 95 95 GLU H H 1 . . 1 1 95 95 GLU N N 15 . 15.99 . . 0.25 . . . 1 95 GLU H 1 95 GLU N 17282 1 51 DHN . 1 1 96 96 GLU H H 1 . . 1 1 96 96 GLU N N 15 . 5.32 . . 0.25 . . . 1 96 GLU H 1 96 GLU N 17282 1 52 DHN . 1 1 97 97 LEU H H 1 . . 1 1 97 97 LEU N N 15 . -6.16 . . 0.25 . . . 1 97 LEU H 1 97 LEU N 17282 1 53 DHN . 1 1 102 102 VAL H H 1 . . 1 1 102 102 VAL N N 15 . 6.77 . . 0.25 . . . 1 102 VAL H 1 102 VAL N 17282 1 54 DHN . 1 1 103 103 LYS H H 1 . . 1 1 103 103 LYS N N 15 . 5.22 . . 0.25 . . . 1 103 LYS H 1 103 LYS N 17282 1 55 DHN . 1 1 104 104 ILE H H 1 . . 1 1 104 104 ILE N N 15 . -1.37 . . 0.25 . . . 1 104 ILE H 1 104 ILE N 17282 1 56 DHN . 1 1 106 106 CYS H H 1 . . 1 1 106 106 CYS N N 15 . 18.55 . . 0.25 . . . 1 106 CYS H 1 106 CYS N 17282 1 57 DHN . 1 1 107 107 SER H H 1 . . 1 1 107 107 SER N N 15 . 0.69 . . 0.25 . . . 1 107 SER H 1 107 SER N 17282 1 58 DHN . 1 1 108 108 ILE H H 1 . . 1 1 108 108 ILE N N 15 . 9.69 . . 0.25 . . . 1 108 ILE H 1 108 ILE N 17282 1 59 DHN . 1 1 111 111 GLU H H 1 . . 1 1 111 111 GLU N N 15 . 10.19 . . 0.25 . . . 1 111 GLU H 1 111 GLU N 17282 1 60 DHN . 1 1 112 112 ASP H H 1 . . 1 1 112 112 ASP N N 15 . 11.25 . . 0.25 . . . 1 112 ASP H 1 112 ASP N 17282 1 61 DHN . 1 1 113 113 ALA H H 1 . . 1 1 113 113 ALA N N 15 . 15.36 . . 0.25 . . . 1 113 ALA H 1 113 ALA N 17282 1 62 DHN . 1 1 114 114 ILE H H 1 . . 1 1 114 114 ILE N N 15 . 1.12 . . 0.25 . . . 1 114 ILE H 1 114 ILE N 17282 1 63 DHN . 1 1 116 116 ALA H H 1 . . 1 1 116 116 ALA N N 15 . 13.07 . . 0.25 . . . 1 116 ALA H 1 116 ALA N 17282 1 64 DHN . 1 1 117 117 ALA H H 1 . . 1 1 117 117 ALA N N 15 . 16.22 . . 0.25 . . . 1 117 ALA H 1 117 ALA N 17282 1 65 DHN . 1 1 119 119 ALA H H 1 . . 1 1 119 119 ALA N N 15 . 9.31 . . 0.25 . . . 1 119 ALA H 1 119 ALA N 17282 1 66 DHN . 1 1 120 120 ASP H H 1 . . 1 1 120 120 ASP N N 15 . 10.1 . . 0.25 . . . 1 120 ASP H 1 120 ASP N 17282 1 67 DHN . 1 1 121 121 TYR H H 1 . . 1 1 121 121 TYR N N 15 . 8.33 . . 0.25 . . . 1 121 TYR H 1 121 TYR N 17282 1 68 DHN . 1 1 122 122 LYS H H 1 . . 1 1 122 122 LYS N N 15 . 9.12 . . 0.25 . . . 1 122 LYS H 1 122 LYS N 17282 1 69 DHN . 1 1 123 123 SER H H 1 . . 1 1 123 123 SER N N 15 . 12.97 . . 0.25 . . . 1 123 SER H 1 123 SER N 17282 1 70 DHN . 1 1 124 124 LYS H H 1 . . 1 1 124 124 LYS N N 15 . 8.52 . . 0.25 . . . 1 124 LYS H 1 124 LYS N 17282 1 71 DHN . 1 1 125 125 ARG H H 1 . . 1 1 125 125 ARG N N 15 . 2.27 . . 0.25 . . . 1 125 ARG H 1 125 ARG N 17282 1 72 DHN . 1 1 126 126 GLU H H 1 . . 1 1 126 126 GLU N N 15 . 5.25 . . 0.25 . . . 1 126 GLU H 1 126 GLU N 17282 1 73 DHN . 1 1 127 127 ALA H H 1 . . 1 1 127 127 ALA N N 15 . 0.14 . . 0.25 . . . 1 127 ALA H 1 127 ALA N 17282 1 74 DHN . 1 1 128 128 LYS H H 1 . . 1 1 128 128 LYS N N 15 . -1.86 . . 0.25 . . . 1 128 LYS H 1 128 LYS N 17282 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 17282 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D 1H-15N HSQC' . . . 17282 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $SPARKY . . 17282 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 16 16 ASN H H 1 . 1 1 16 16 ASN N N 15 0.92294 0.0788 . . 1 16 ASN H 1 16 ASN N 17282 1 2 . 1 1 18 18 GLY H H 1 . 1 1 18 18 GLY N N 15 0.88541 0.0003 . . 1 18 GLY H 1 18 GLY N 17282 1 3 . 1 1 20 20 PHE H H 1 . 1 1 20 20 PHE N N 15 0.86781 0.0026 . . 1 20 PHE H 1 20 PHE N 17282 1 4 . 1 1 24 24 ASP H H 1 . 1 1 24 24 ASP N N 15 0.76013 0.0368 . . 1 24 ASP H 1 24 ASP N 17282 1 5 . 1 1 25 25 GLU H H 1 . 1 1 25 25 GLU N N 15 0.7308 0.0332 . . 1 25 GLU H 1 25 GLU N 17282 1 6 . 1 1 26 26 ASN H H 1 . 1 1 26 26 ASN N N 15 0.74798 0.0556 . . 1 26 ASN H 1 26 ASN N 17282 1 7 . 1 1 27 27 VAL H H 1 . 1 1 27 27 VAL N N 15 0.80361 0.0072 . . 1 27 VAL H 1 27 VAL N 17282 1 8 . 1 1 28 28 GLY H H 1 . 1 1 28 28 GLY N N 15 0.83748 0.0714 . . 1 28 GLY H 1 28 GLY N 17282 1 9 . 1 1 29 29 SER H H 1 . 1 1 29 29 SER N N 15 0.86884 0.1516 . . 1 29 SER H 1 29 SER N 17282 1 10 . 1 1 30 30 GLY H H 1 . 1 1 30 30 GLY N N 15 0.80018 0.0205 . . 1 30 GLY H 1 30 GLY N 17282 1 11 . 1 1 31 31 MET H H 1 . 1 1 31 31 MET N N 15 0.73308 0.037 . . 1 31 MET H 1 31 MET N 17282 1 12 . 1 1 32 32 VAL H H 1 . 1 1 32 32 VAL N N 15 0.79567 0.0644 . . 1 32 VAL H 1 32 VAL N 17282 1 13 . 1 1 33 33 GLY H H 1 . 1 1 33 33 GLY N N 15 0.73034 0.0846 . . 1 33 GLY H 1 33 GLY N 17282 1 14 . 1 1 34 34 ALA H H 1 . 1 1 34 34 ALA N N 15 0.58946 0.0393 . . 1 34 ALA H 1 34 ALA N 17282 1 15 . 1 1 41 41 MET H H 1 . 1 1 41 41 MET N N 15 0.84713 0.1159 . . 1 41 MET H 1 41 MET N 17282 1 16 . 1 1 43 43 LEU H H 1 . 1 1 43 43 LEU N N 15 0.82962 0.076 . . 1 43 LEU H 1 43 LEU N 17282 1 17 . 1 1 44 44 GLN H H 1 . 1 1 44 44 GLN N N 15 0.9501 0.0585 . . 1 44 GLN H 1 44 GLN N 17282 1 18 . 1 1 45 45 ILE H H 1 . 1 1 45 45 ILE N N 15 0.73895 0.0254 . . 1 45 ILE H 1 45 ILE N 17282 1 19 . 1 1 46 46 LYS H H 1 . 1 1 46 46 LYS N N 15 0.82475 0.0196 . . 1 46 LYS H 1 46 LYS N 17282 1 20 . 1 1 47 47 VAL H H 1 . 1 1 47 47 VAL N N 15 0.77498 0.0415 . . 1 47 VAL H 1 47 VAL N 17282 1 21 . 1 1 48 48 ASN H H 1 . 1 1 48 48 ASN N N 15 0.80208 0.0217 . . 1 48 ASN H 1 48 ASN N 17282 1 22 . 1 1 49 49 ASP H H 1 . 1 1 49 49 ASP N N 15 0.70756 0.1464 . . 1 49 ASP H 1 49 ASP N 17282 1 23 . 1 1 50 50 GLU H H 1 . 1 1 50 50 GLU N N 15 0.78318 0.0409 . . 1 50 GLU H 1 50 GLU N 17282 1 24 . 1 1 51 51 GLY H H 1 . 1 1 51 51 GLY N N 15 0.82416 0.0563 . . 1 51 GLY H 1 51 GLY N 17282 1 25 . 1 1 52 52 ILE H H 1 . 1 1 52 52 ILE N N 15 0.7901 0.0407 . . 1 52 ILE H 1 52 ILE N 17282 1 26 . 1 1 53 53 ILE H H 1 . 1 1 53 53 ILE N N 15 0.76016 0.0416 . . 1 53 ILE H 1 53 ILE N 17282 1 27 . 1 1 54 54 GLU H H 1 . 1 1 54 54 GLU N N 15 0.83188 0.0136 . . 1 54 GLU H 1 54 GLU N 17282 1 28 . 1 1 55 55 ASP H H 1 . 1 1 55 55 ASP N N 15 0.8356 0.0354 . . 1 55 ASP H 1 55 ASP N 17282 1 29 . 1 1 56 56 ALA H H 1 . 1 1 56 56 ALA N N 15 0.81558 0.017 . . 1 56 ALA H 1 56 ALA N 17282 1 30 . 1 1 57 57 ARG H H 1 . 1 1 57 57 ARG N N 15 0.82734 0.0069 . . 1 57 ARG H 1 57 ARG N 17282 1 31 . 1 1 58 58 PHE H H 1 . 1 1 58 58 PHE N N 15 0.8801 0.0165 . . 1 58 PHE H 1 58 PHE N 17282 1 32 . 1 1 59 59 LYS H H 1 . 1 1 59 59 LYS N N 15 0.73638 0.0787 . . 1 59 LYS H 1 59 LYS N 17282 1 33 . 1 1 73 73 VAL H H 1 . 1 1 73 73 VAL N N 15 0.72336 0.0416 . . 1 73 VAL H 1 73 VAL N 17282 1 34 . 1 1 74 74 THR H H 1 . 1 1 74 74 THR N N 15 0.86476 0.081 . . 1 74 THR H 1 74 THR N 17282 1 35 . 1 1 75 75 GLU H H 1 . 1 1 75 75 GLU N N 15 0.85296 0.0066 . . 1 75 GLU H 1 75 GLU N 17282 1 36 . 1 1 76 76 TRP H H 1 . 1 1 76 76 TRP N N 15 0.8747 0.069 . . 1 76 TRP H 1 76 TRP N 17282 1 37 . 1 1 77 77 VAL H H 1 . 1 1 77 77 VAL N N 15 0.8354 0.0793 . . 1 77 VAL H 1 77 VAL N 17282 1 38 . 1 1 78 78 LYS H H 1 . 1 1 78 78 LYS N N 15 0.79237 0.017 . . 1 78 LYS H 1 78 LYS N 17282 1 39 . 1 1 79 79 GLY H H 1 . 1 1 79 79 GLY N N 15 0.80629 0.0289 . . 1 79 GLY H 1 79 GLY N 17282 1 40 . 1 1 80 80 LYS H H 1 . 1 1 80 80 LYS N N 15 0.77792 0.0174 . . 1 80 LYS H 1 80 LYS N 17282 1 41 . 1 1 81 81 SER H H 1 . 1 1 81 81 SER N N 15 0.81494 0.0028 . . 1 81 SER H 1 81 SER N 17282 1 42 . 1 1 82 82 LEU H H 1 . 1 1 82 82 LEU N N 15 0.75814 0.0224 . . 1 82 LEU H 1 82 LEU N 17282 1 43 . 1 1 83 83 ASP H H 1 . 1 1 83 83 ASP N N 15 0.79411 0.0309 . . 1 83 ASP H 1 83 ASP N 17282 1 44 . 1 1 84 84 GLU H H 1 . 1 1 84 84 GLU N N 15 0.77542 0.0087 . . 1 84 GLU H 1 84 GLU N 17282 1 45 . 1 1 85 85 ALA H H 1 . 1 1 85 85 ALA N N 15 0.8066 0.0041 . . 1 85 ALA H 1 85 ALA N 17282 1 46 . 1 1 86 86 GLN H H 1 . 1 1 86 86 GLN N N 15 0.7769 0.029 . . 1 86 GLN H 1 86 GLN N 17282 1 47 . 1 1 87 87 ALA H H 1 . 1 1 87 87 ALA N N 15 0.77869 0.0053 . . 1 87 ALA H 1 87 ALA N 17282 1 48 . 1 1 89 89 LYS H H 1 . 1 1 89 89 LYS N N 15 0.7183 0.0214 . . 1 89 LYS H 1 89 LYS N 17282 1 49 . 1 1 90 90 ASN H H 1 . 1 1 90 90 ASN N N 15 0.85403 0.176 . . 1 90 ASN H 1 90 ASN N 17282 1 50 . 1 1 91 91 THR H H 1 . 1 1 91 91 THR N N 15 0.88409 0.0518 . . 1 91 THR H 1 91 THR N 17282 1 51 . 1 1 92 92 ASP H H 1 . 1 1 92 92 ASP N N 15 0.7948 0.0171 . . 1 92 ASP H 1 92 ASP N 17282 1 52 . 1 1 94 94 ALA H H 1 . 1 1 94 94 ALA N N 15 0.7602 0.0243 . . 1 94 ALA H 1 94 ALA N 17282 1 53 . 1 1 95 95 GLU H H 1 . 1 1 95 95 GLU N N 15 0.75808 0.0605 . . 1 95 GLU H 1 95 GLU N 17282 1 54 . 1 1 96 96 GLU H H 1 . 1 1 96 96 GLU N N 15 0.84803 0.0178 . . 1 96 GLU H 1 96 GLU N 17282 1 55 . 1 1 97 97 LEU H H 1 . 1 1 97 97 LEU N N 15 0.8072 0.0817 . . 1 97 LEU H 1 97 LEU N 17282 1 56 . 1 1 102 102 VAL H H 1 . 1 1 102 102 VAL N N 15 0.74395 0.0838 . . 1 102 VAL H 1 102 VAL N 17282 1 57 . 1 1 103 103 LYS H H 1 . 1 1 103 103 LYS N N 15 0.75003 0.0328 . . 1 103 LYS H 1 103 LYS N 17282 1 58 . 1 1 104 104 ILE H H 1 . 1 1 104 104 ILE N N 15 0.9041 0.0742 . . 1 104 ILE H 1 104 ILE N 17282 1 59 . 1 1 106 106 CYS H H 1 . 1 1 106 106 CYS N N 15 0.84617 0.073 . . 1 106 CYS H 1 106 CYS N 17282 1 60 . 1 1 107 107 SER H H 1 . 1 1 107 107 SER N N 15 0.88843 0.097 . . 1 107 SER H 1 107 SER N 17282 1 61 . 1 1 108 108 ILE H H 1 . 1 1 108 108 ILE N N 15 0.6417 0.1163 . . 1 108 ILE H 1 108 ILE N 17282 1 62 . 1 1 109 109 LEU H H 1 . 1 1 109 109 LEU N N 15 0.85046 0.1283 . . 1 109 LEU H 1 109 LEU N 17282 1 63 . 1 1 110 110 ALA H H 1 . 1 1 110 110 ALA N N 15 0.79112 0.0385 . . 1 110 ALA H 1 110 ALA N 17282 1 64 . 1 1 111 111 GLU H H 1 . 1 1 111 111 GLU N N 15 0.7749 0.1683 . . 1 111 GLU H 1 111 GLU N 17282 1 65 . 1 1 112 112 ASP H H 1 . 1 1 112 112 ASP N N 15 0.87573 0.0797 . . 1 112 ASP H 1 112 ASP N 17282 1 66 . 1 1 113 113 ALA H H 1 . 1 1 113 113 ALA N N 15 0.8952 0.1665 . . 1 113 ALA H 1 113 ALA N 17282 1 67 . 1 1 114 114 ILE H H 1 . 1 1 114 114 ILE N N 15 0.76334 0.0007 . . 1 114 ILE H 1 114 ILE N 17282 1 68 . 1 1 115 115 LYS H H 1 . 1 1 115 115 LYS N N 15 0.70769 0.0485 . . 1 115 LYS H 1 115 LYS N 17282 1 69 . 1 1 116 116 ALA H H 1 . 1 1 116 116 ALA N N 15 0.88048 0.0149 . . 1 116 ALA H 1 116 ALA N 17282 1 70 . 1 1 117 117 ALA H H 1 . 1 1 117 117 ALA N N 15 0.87998 0.0567 . . 1 117 ALA H 1 117 ALA N 17282 1 71 . 1 1 118 118 ILE H H 1 . 1 1 118 118 ILE N N 15 0.78194 0.0029 . . 1 118 ILE H 1 118 ILE N 17282 1 72 . 1 1 119 119 ALA H H 1 . 1 1 119 119 ALA N N 15 0.78832 0.0394 . . 1 119 ALA H 1 119 ALA N 17282 1 73 . 1 1 120 120 ASP H H 1 . 1 1 120 120 ASP N N 15 0.8257 0.0558 . . 1 120 ASP H 1 120 ASP N 17282 1 74 . 1 1 121 121 TYR H H 1 . 1 1 121 121 TYR N N 15 0.89613 0.0204 . . 1 121 TYR H 1 121 TYR N 17282 1 75 . 1 1 122 122 LYS H H 1 . 1 1 122 122 LYS N N 15 0.84257 0.0388 . . 1 122 LYS H 1 122 LYS N 17282 1 76 . 1 1 123 123 SER H H 1 . 1 1 123 123 SER N N 15 0.83949 0.0218 . . 1 123 SER H 1 123 SER N 17282 1 77 . 1 1 124 124 LYS H H 1 . 1 1 124 124 LYS N N 15 0.8012 0.0196 . . 1 124 LYS H 1 124 LYS N 17282 1 78 . 1 1 125 125 ARG H H 1 . 1 1 125 125 ARG N N 15 0.66567 0.0368 . . 1 125 ARG H 1 125 ARG N 17282 1 79 . 1 1 126 126 GLU H H 1 . 1 1 126 126 GLU N N 15 0.54648 0.0009 . . 1 126 GLU H 1 126 GLU N 17282 1 80 . 1 1 127 127 ALA H H 1 . 1 1 127 127 ALA N N 15 0.07486 0.0103 . . 1 127 ALA H 1 127 ALA N 17282 1 81 . 1 1 128 128 LYS H H 1 . 1 1 128 128 LYS N N 15 -0.6346 0.0065 . . 1 128 LYS H 1 128 LYS N 17282 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 17282 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 3 '2D 1H-15N HSQC' . . . 17282 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $SPARKY . . 17282 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 16 16 ASN N N 15 0.51235 0.005303 . . 16 ASN N 17282 1 2 . 1 1 18 18 GLY N N 15 0.5059 0.000424 . . 18 GLY N 17282 1 3 . 1 1 19 19 SER N N 15 0.41235 0.044053 . . 19 SER N 17282 1 4 . 1 1 20 20 PHE N N 15 0.52185 0.001626 . . 20 PHE N 17282 1 5 . 1 1 24 24 ASP N N 15 0.5236 0.00099 . . 24 ASP N 17282 1 6 . 1 1 25 25 GLU N N 15 0.491 0.017253 . . 25 GLU N 17282 1 7 . 1 1 26 26 ASN N N 15 0.53735 0.001485 . . 26 ASN N 17282 1 8 . 1 1 27 27 VAL N N 15 0.64955 0.001344 . . 27 VAL N 17282 1 9 . 1 1 28 28 GLY N N 15 0.65925 0.012233 . . 28 GLY N 17282 1 10 . 1 1 29 29 SER N N 15 0.6587 0.014566 . . 29 SER N 17282 1 11 . 1 1 30 30 GLY N N 15 0.6523 0.000707 . . 30 GLY N 17282 1 12 . 1 1 31 31 MET N N 15 0.6921 0.001414 . . 31 MET N 17282 1 13 . 1 1 32 32 VAL N N 15 0.7185 0.006788 . . 32 VAL N 17282 1 14 . 1 1 33 33 GLY N N 15 0.6632 0.002263 . . 33 GLY N 17282 1 15 . 1 1 34 34 ALA N N 15 0.59835 0.000919 . . 34 ALA N 17282 1 16 . 1 1 43 43 LEU N N 15 0.6899 0.00099 . . 43 LEU N 17282 1 17 . 1 1 44 44 GLN N N 15 0.6914 0.008061 . . 44 GLN N 17282 1 18 . 1 1 45 45 ILE N N 15 0.7005 0.008202 . . 45 ILE N 17282 1 19 . 1 1 46 46 LYS N N 15 0.69625 0.004596 . . 46 LYS N 17282 1 20 . 1 1 47 47 VAL N N 15 0.68595 0.007566 . . 47 VAL N 17282 1 21 . 1 1 48 48 ASN N N 15 0.6621 0.003818 . . 48 ASN N 17282 1 22 . 1 1 50 50 GLU N N 15 0.70115 0.001344 . . 50 GLU N 17282 1 23 . 1 1 51 51 GLY N N 15 0.68505 0.002051 . . 51 GLY N 17282 1 24 . 1 1 52 52 ILE N N 15 0.72965 0.007425 . . 52 ILE N 17282 1 25 . 1 1 53 53 ILE N N 15 0.75425 0.005586 . . 53 ILE N 17282 1 26 . 1 1 54 54 GLU N N 15 0.7241 0.000283 . . 54 GLU N 17282 1 27 . 1 1 55 55 ASP N N 15 0.68585 0.001909 . . 55 ASP N 17282 1 28 . 1 1 56 56 ALA N N 15 0.6512 0.002121 . . 56 ALA N 17282 1 29 . 1 1 57 57 ARG N N 15 0.66905 0.006435 . . 57 ARG N 17282 1 30 . 1 1 58 58 PHE N N 15 0.5898 0.012869 . . 58 PHE N 17282 1 31 . 1 1 59 59 LYS N N 15 0.6347 0.001556 . . 59 LYS N 17282 1 32 . 1 1 73 73 VAL N N 15 0.72075 0.002899 . . 73 VAL N 17282 1 33 . 1 1 74 74 THR N N 15 0.642 0.010324 . . 74 THR N 17282 1 34 . 1 1 75 75 GLU N N 15 0.67315 0.002192 . . 75 GLU N 17282 1 35 . 1 1 76 76 TRP N N 15 0.7017 0.008344 . . 76 TRP N 17282 1 36 . 1 1 77 77 VAL N N 15 0.73685 0.007142 . . 77 VAL N 17282 1 37 . 1 1 78 78 LYS N N 15 0.72275 0.003889 . . 78 LYS N 17282 1 38 . 1 1 79 79 GLY N N 15 0.6978 0.007495 . . 79 GLY N 17282 1 39 . 1 1 80 80 LYS N N 15 0.6593 0.006788 . . 80 LYS N 17282 1 40 . 1 1 81 81 SER N N 15 0.64355 0.00997 . . 81 SER N 17282 1 41 . 1 1 82 82 LEU N N 15 0.6933 0.008344 . . 82 LEU N 17282 1 42 . 1 1 83 83 ASP N N 15 0.592 0.000141 . . 83 ASP N 17282 1 43 . 1 1 84 84 GLU N N 15 0.6581 0.001131 . . 84 GLU N 17282 1 44 . 1 1 85 85 ALA N N 15 0.71525 0.000778 . . 85 ALA N 17282 1 45 . 1 1 86 86 GLN N N 15 0.7399 0.005515 . . 86 GLN N 17282 1 46 . 1 1 87 87 ALA N N 15 0.68565 0.002475 . . 87 ALA N 17282 1 47 . 1 1 89 89 LYS N N 15 0.71215 0.01096 . . 89 LYS N 17282 1 48 . 1 1 90 90 ASN N N 15 0.59885 0.018597 . . 90 ASN N 17282 1 49 . 1 1 91 91 THR N N 15 0.49875 0.024819 . . 91 THR N 17282 1 50 . 1 1 92 92 ASP N N 15 0.69055 0.007849 . . 92 ASP N 17282 1 51 . 1 1 94 94 ALA N N 15 0.7318 0.001273 . . 94 ALA N 17282 1 52 . 1 1 95 95 GLU N N 15 0.76335 0.001626 . . 95 GLU N 17282 1 53 . 1 1 96 96 GLU N N 15 0.7508 0.00495 . . 96 GLU N 17282 1 54 . 1 1 97 97 LEU N N 15 0.75545 0.00601 . . 97 LEU N 17282 1 55 . 1 1 102 102 VAL N N 15 0.52715 0.000212 . . 102 VAL N 17282 1 56 . 1 1 103 103 LYS N N 15 0.5835 0.004667 . . 103 LYS N 17282 1 57 . 1 1 104 104 ILE N N 15 0.65595 0.004455 . . 104 ILE N 17282 1 58 . 1 1 106 106 CYS N N 15 0.5438 0.001697 . . 106 CYS N 17282 1 59 . 1 1 107 107 SER N N 15 0.5607 0.02093 . . 107 SER N 17282 1 60 . 1 1 108 108 ILE N N 15 0.71115 0.078701 . . 108 ILE N 17282 1 61 . 1 1 110 110 ALA N N 15 0.72075 0.010819 . . 110 ALA N 17282 1 62 . 1 1 111 111 GLU N N 15 0.7461 0.013435 . . 111 GLU N 17282 1 63 . 1 1 112 112 ASP N N 15 0.73775 0.019587 . . 112 ASP N 17282 1 64 . 1 1 113 113 ALA N N 15 0.76045 0.016476 . . 113 ALA N 17282 1 65 . 1 1 114 114 ILE N N 15 0.77835 0.024395 . . 114 ILE N 17282 1 66 . 1 1 115 115 LYS N N 15 0.63075 0.009687 . . 115 LYS N 17282 1 67 . 1 1 116 116 ALA N N 15 0.7689 0.00297 . . 116 ALA N 17282 1 68 . 1 1 117 117 ALA N N 15 0.73485 0.000212 . . 117 ALA N 17282 1 69 . 1 1 118 118 ILE N N 15 0.74705 0.002899 . . 118 ILE N 17282 1 70 . 1 1 119 119 ALA N N 15 0.71165 0.002899 . . 119 ALA N 17282 1 71 . 1 1 120 120 ASP N N 15 0.68715 0.016617 . . 120 ASP N 17282 1 72 . 1 1 121 121 TYR N N 15 0.6738 0.00099 . . 121 TYR N 17282 1 73 . 1 1 122 122 LYS N N 15 0.68665 0.011102 . . 122 LYS N 17282 1 74 . 1 1 123 123 SER N N 15 0.6642 0.003536 . . 123 SER N 17282 1 75 . 1 1 124 124 LYS N N 15 0.6201 0.00198 . . 124 LYS N 17282 1 76 . 1 1 125 125 ARG N N 15 0.5969 0.002687 . . 125 ARG N 17282 1 77 . 1 1 126 126 GLU N N 15 0.45765 0.001344 . . 126 GLU N 17282 1 78 . 1 1 127 127 ALA N N 15 0.4222 0.00198 . . 127 ALA N 17282 1 79 . 1 1 128 128 LYS N N 15 0.7587 0.000283 . . 128 LYS N 17282 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 17282 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 3 '2D 1H-15N HSQC' . . . 17282 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $SPARKY . . 17282 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 16 16 ASN N N 15 0.03029 0.000933 . . . . 16 ASN N 17282 1 2 . 1 1 18 18 GLY N N 15 0.05316 0.00058 . . . . 18 GLY N 17282 1 3 . 1 1 19 19 SER N N 15 0.063125 0.004462 . . . . 19 SER N 17282 1 4 . 1 1 20 20 PHE N N 15 0.061185 0.001054 . . . . 20 PHE N 17282 1 5 . 1 1 24 24 ASP N N 15 0.06282 0.001004 . . . . 24 ASP N 17282 1 6 . 1 1 25 25 GLU N N 15 0.05027 0.000424 . . . . 25 GLU N 17282 1 7 . 1 1 26 26 ASN N N 15 0.06351 0.000495 . . . . 26 ASN N 17282 1 8 . 1 1 27 27 VAL N N 15 0.056455 0.000997 . . . . 27 VAL N 17282 1 9 . 1 1 28 28 GLY N N 15 0.059715 7.07E-06 . . . . 28 GLY N 17282 1 10 . 1 1 29 29 SER N N 15 0.05295 0.000424 . . . . 29 SER N 17282 1 11 . 1 1 30 30 GLY N N 15 0.05597 0.000269 . . . . 30 GLY N 17282 1 12 . 1 1 31 31 MET N N 15 0.061625 0.000304 . . . . 31 MET N 17282 1 13 . 1 1 32 32 VAL N N 15 0.049775 0.000728 . . . . 32 VAL N 17282 1 14 . 1 1 33 33 GLY N N 15 0.0574 0.000311 . . . . 33 GLY N 17282 1 15 . 1 1 34 34 ALA N N 15 0.078865 7.07E-06 . . . . 34 ALA N 17282 1 16 . 1 1 43 43 LEU N N 15 0.052185 0.000912 . . . . 43 LEU N 17282 1 17 . 1 1 44 44 GLN N N 15 0.04089 0.001697 . . . . 44 GLN N 17282 1 18 . 1 1 45 45 ILE N N 15 0.05629 0.000297 . . . . 45 ILE N 17282 1 19 . 1 1 46 46 LYS N N 15 0.06395 0.000509 . . . . 46 LYS N 17282 1 20 . 1 1 47 47 VAL N N 15 0.058565 0.000544 . . . . 47 VAL N 17282 1 21 . 1 1 48 48 ASN N N 15 0.057355 0.000544 . . . . 48 ASN N 17282 1 22 . 1 1 50 50 GLU N N 15 0.06289 0.000198 . . . . 50 GLU N 17282 1 23 . 1 1 51 51 GLY N N 15 0.05936 0.000226 . . . . 51 GLY N 17282 1 24 . 1 1 52 52 ILE N N 15 0.060755 0.000191 . . . . 52 ILE N 17282 1 25 . 1 1 53 53 ILE N N 15 0.06363 0.000905 . . . . 53 ILE N 17282 1 26 . 1 1 54 54 GLU N N 15 0.058115 0.000955 . . . . 54 GLU N 17282 1 27 . 1 1 55 55 ASP N N 15 0.05929 0.000339 . . . . 55 ASP N 17282 1 28 . 1 1 56 56 ALA N N 15 0.06137 0.000283 . . . . 56 ALA N 17282 1 29 . 1 1 57 57 ARG N N 15 0.06025 0.000141 . . . . 57 ARG N 17282 1 30 . 1 1 58 58 PHE N N 15 0.04951 0.000255 . . . . 58 PHE N 17282 1 31 . 1 1 59 59 LYS N N 15 0.04695 0.00082 . . . . 59 LYS N 17282 1 32 . 1 1 73 73 VAL N N 15 0.044895 0.000106 . . . . 73 VAL N 17282 1 33 . 1 1 74 74 THR N N 15 0.04246 7.07E-05 . . . . 74 THR N 17282 1 34 . 1 1 75 75 GLU N N 15 0.052375 0.000205 . . . . 75 GLU N 17282 1 35 . 1 1 76 76 TRP N N 15 0.051915 0.000346 . . . . 76 TRP N 17282 1 36 . 1 1 77 77 VAL N N 15 0.048775 0.000148 . . . . 77 VAL N 17282 1 37 . 1 1 78 78 LYS N N 15 0.05206 0.000226 . . . . 78 LYS N 17282 1 38 . 1 1 79 79 GLY N N 15 0.05581 0.000636 . . . . 79 GLY N 17282 1 39 . 1 1 80 80 LYS N N 15 0.05825 0.000368 . . . . 80 LYS N 17282 1 40 . 1 1 81 81 SER N N 15 0.058495 0.000134 . . . . 81 SER N 17282 1 41 . 1 1 82 82 LEU N N 15 0.055115 4.95E-05 . . . . 82 LEU N 17282 1 42 . 1 1 83 83 ASP N N 15 0.05918 0.00017 . . . . 83 ASP N 17282 1 43 . 1 1 84 84 GLU N N 15 0.062575 9.19E-05 . . . . 84 GLU N 17282 1 44 . 1 1 85 85 ALA N N 15 0.055275 0.000601 . . . . 85 ALA N 17282 1 45 . 1 1 86 86 GLN N N 15 0.05239 0.000141 . . . . 86 GLN N 17282 1 46 . 1 1 87 87 ALA N N 15 0.05582 0.000127 . . . . 87 ALA N 17282 1 47 . 1 1 89 89 LYS N N 15 0.06483 0.000354 . . . . 89 LYS N 17282 1 48 . 1 1 90 90 ASN N N 15 0.05074 0.000636 . . . . 90 ASN N 17282 1 49 . 1 1 91 91 THR N N 15 0.0511 0.001457 . . . . 91 THR N 17282 1 50 . 1 1 92 92 ASP N N 15 0.056835 6.36E-05 . . . . 92 ASP N 17282 1 51 . 1 1 94 94 ALA N N 15 0.052755 0.000559 . . . . 94 ALA N 17282 1 52 . 1 1 95 95 GLU N N 15 0.055675 0.000559 . . . . 95 GLU N 17282 1 53 . 1 1 96 96 GLU N N 15 0.05668 4.24E-05 . . . . 96 GLU N 17282 1 54 . 1 1 97 97 LEU N N 15 0.04862 0.000113 . . . . 97 LEU N 17282 1 55 . 1 1 102 102 VAL N N 15 0.040675 0.000233 . . . . 102 VAL N 17282 1 56 . 1 1 103 103 LYS N N 15 0.044455 0.000191 . . . . 103 LYS N 17282 1 57 . 1 1 104 104 ILE N N 15 0.051575 0.000912 . . . . 104 ILE N 17282 1 58 . 1 1 106 106 CYS N N 15 0.04452 0.000368 . . . . 106 CYS N 17282 1 59 . 1 1 107 107 SER N N 15 0.05106 0.000537 . . . . 107 SER N 17282 1 60 . 1 1 108 108 ILE N N 15 0.040935 0.000926 . . . . 108 ILE N 17282 1 61 . 1 1 110 110 ALA N N 15 0.04836 0.000424 . . . . 110 ALA N 17282 1 62 . 1 1 111 111 GLU N N 15 0.054335 0.00111 . . . . 111 GLU N 17282 1 63 . 1 1 112 112 ASP N N 15 0.05019 0.000255 . . . . 112 ASP N 17282 1 64 . 1 1 113 113 ALA N N 15 0.05608 0.001131 . . . . 113 ALA N 17282 1 65 . 1 1 114 114 ILE N N 15 0.05399 0.000453 . . . . 114 ILE N 17282 1 66 . 1 1 115 115 LYS N N 15 0.07238 0.001032 . . . . 115 LYS N 17282 1 67 . 1 1 116 116 ALA N N 15 0.052545 3.54E-05 . . . . 116 ALA N 17282 1 68 . 1 1 117 117 ALA N N 15 0.056415 0.000205 . . . . 117 ALA N 17282 1 69 . 1 1 118 118 ILE N N 15 0.05509 0.00058 . . . . 118 ILE N 17282 1 70 . 1 1 119 119 ALA N N 15 0.05554 0.000113 . . . . 119 ALA N 17282 1 71 . 1 1 120 120 ASP N N 15 0.055705 0.001351 . . . . 120 ASP N 17282 1 72 . 1 1 121 121 TYR N N 15 0.05551 0.00041 . . . . 121 TYR N 17282 1 73 . 1 1 122 122 LYS N N 15 0.052415 0.000233 . . . . 122 LYS N 17282 1 74 . 1 1 123 123 SER N N 15 0.05586 9.9E-05 . . . . 123 SER N 17282 1 75 . 1 1 124 124 LYS N N 15 0.05661 1.41E-05 . . . . 124 LYS N 17282 1 76 . 1 1 125 125 ARG N N 15 0.063725 2.12E-05 . . . . 125 ARG N 17282 1 77 . 1 1 126 126 GLU N N 15 0.093955 2.12E-05 . . . . 126 GLU N 17282 1 78 . 1 1 127 127 ALA N N 15 0.1647 0.00099 . . . . 127 ALA N 17282 1 79 . 1 1 128 128 LYS N N 15 0.33625 0.000354 . . . . 128 LYS N 17282 1 stop_ save_