data_7091 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7091 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for GroES ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-30 _Entry.Accession_date 2006-05-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jocelyne Fiaux . . . 7091 2 Roland Riek . R. . 7091 3 Eric Bertelsen . B. . 7091 4 Reto Horst . . . 7091 5 Arthur Horwich . L. . 7091 6 Kurt Wuthrich . . . 7091 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . ETHZ . 7091 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7091 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 135 7091 '15N chemical shifts' 89 7091 '1H chemical shifts' 89 7091 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 . . 2008-07-29 2006-04-30 update BMRB 'complete entry citation' 7091 1 . . 2006-06-28 2006-04-30 original author 'original release' 7091 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7091 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12110894 _Citation.Full_citation ; Fiaux, J., Bertelsen, E.B., Horwich, A.L., and Wuthrich, K. (2002) "NMR analysis of a 900 K GroEL-GroES complex", Nature, 418, 207-211. ; _Citation.Title 'NMR analysis of a 900 K GroEL-GroES complex' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 418 _Citation.Journal_issue 6894 _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 207 _Citation.Page_last 211 _Citation.Year 2002 _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 Jocelyne Fiaux . . . 7091 1 2 Eric Bertelsen . B. . 7091 1 3 Arthur Horwich . L. . 7091 1 4 Kurt Wuthrich . . . 7091 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 7091 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17032756 _Citation.Full_citation . _Citation.Title 'Proton-proton Overhauser NMR spectroscopy with polypeptide chains in large structures' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 103 _Citation.Journal_issue 42 _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 15445 _Citation.Page_last 15450 _Citation.Year 2006 _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 Reto Horst . . . 7091 2 2 Gerhard Wider . . . 7091 2 3 Jocelyne Fiaux . . . 7091 2 4 Eric Bertelsen . B. . 7091 2 5 Arthur Horwich . L. . 7091 2 6 Kurt Wuthrich . . . 7091 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7091 _Assembly.ID 1 _Assembly.Name 'GroES heptamer' _Assembly.BMRB_code . _Assembly.Number_of_components 7 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 70 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7091 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'GroES subunit, 1' 1 $co-chaperonin_GroES . . yes native yes no 1 . . 7091 1 2 'GroES subunit, 2' 1 $co-chaperonin_GroES . . yes native yes no 1 . . 7091 1 3 'GroES subunit, 3' 1 $co-chaperonin_GroES . . yes native yes no 1 . . 7091 1 4 'GroES subunit, 4' 1 $co-chaperonin_GroES . . yes native yes no 1 . . 7091 1 5 'GroES subunit, 5' 1 $co-chaperonin_GroES . . yes native yes no 1 . . 7091 1 6 'GroES subunit, 6' 1 $co-chaperonin_GroES . . yes native yes no 1 . . 7091 1 7 'GroES subunit, 7' 1 $co-chaperonin_GroES . . yes native yes no 1 . . 7091 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_co-chaperonin_GroES _Entity.Sf_category entity _Entity.Sf_framecode co-chaperonin_GroES _Entity.Entry_ID 7091 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GroES _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNIRPLHDRVIVKRKEVETK SAGGIVLTGSAAAKSTRGEV LAVGNGRILENGEVKPLDVK VGDIVIFNDGYGVKSEKIDN EEVLIMSESDILAIVEA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1AON . "Crystal Structure Of The Asymmetric Chaperonin Complex GroelGROES(ADP)7" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 2 no PDB 1GRU . "Solution Structure Of Groes-Adp7-Groel-Atp7 Complex By Cryo-Em" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 3 no PDB 1PCQ . "Crystal Structure Of Groel-Groes" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 4 no PDB 1PF9 . Groel-Groes-Adp . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 5 no PDB 1SVT . "Crystal Structure Of Groel14-groes7-(adp-alfx)7" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 6 no PDB 1SX4 . Groel-groes-adp7 . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 7 no PDB 2C7C . "Fitted Coordinates For Groel-Atp7-Groes Cryo-Em Complex (Emd-1180)" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 8 no PDB 2C7D . "Fitted Coordinates For Groel-adp7-groes Cryo-em Complex (emd-1181)" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 9 no PDB 3WVL . "Crystal Structure Of The Football-shaped Groel-groes Complex (groel: Groes2:atp14) From Escherichia Coli" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 10 no PDB 3ZPZ . "Visualizing Groel-es In The Act Of Encapsulating A Non-native Substrate Protein" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 11 no PDB 3ZQ0 . "Visualizing Groel-es In The Act Of Encapsulating A Non-native Substrate Protein" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 12 no PDB 3ZQ1 . "Visualizing Groel-es In The Act Of Encapsulating A Non-native Substrate Protein" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 13 no PDB 4PKN . "Crystal Structure Of The Football-shaped Groel-groes2-(adpbefx)14 Complex Containing Substrate Rubisco" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 14 no PDB 4PKO . "Crystal Structure Of The Football-shaped Groel-groes2-(adpbefx)14 Complex" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 15 no DBJ BAB38546 . "chaperonin GroES [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 16 no DBJ BAE78144 . "Cpn10 chaperonin GroES, small subunit of GroESL [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 17 no DBJ BAE95976 . "GroES [Plesiomonas shigelloides]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 18 no DBJ BAG66868 . "small subunit of GroESL [Escherichia coli O111:H-]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 19 no DBJ BAG79965 . "chaperone GroES [Escherichia coli SE11]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 20 no EMBL CAA30697 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 21 no EMBL CAA30738 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 97 98.97 100.00 2.43e-58 . . . . 7091 1 22 no EMBL CAP78660 . "10 kDa chaperonin [Escherichia coli LF82]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 23 no EMBL CAQ34491 . "GroES, chaperone binds to Hsp60 in pres. Mg-ATP, suppressing its ATPase activity, subunit of GroEL-GroES chaperonin complex [Es" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 24 no EMBL CAQ91614 . "Cpn10 chaperonin GroES, small subunit of GroESL [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 25 no GB AAA97041 . "GroES protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 26 no GB AAC77102 . "Cpn10 chaperonin GroES, small subunit of GroESL [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 27 no GB AAG59341 . "GroES, 10 Kd chaperone binds to Hsp60 in pres. Mg-ATP, suppressing its ATPase activity [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 28 no GB AAL55995 . "GroES [Escherichia coli]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 29 no GB AAL56005 . "GroES [Escherichia coli]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 30 no PRF 1407243A . "groES gene" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 31 no REF NP_290775 . "co-chaperonin GroES [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 32 no REF NP_313150 . "co-chaperonin GroES [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 33 no REF NP_418566 . "Cpn10 chaperonin GroES, small subunit of GroESL [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 34 no REF NP_710007 . "co-chaperonin GroES [Shigella flexneri 2a str. 301]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 35 no REF NP_757074 . "co-chaperonin GroES [Escherichia coli CFT073]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 36 no SP A7ZV11 . "RecName: Full=10 kDa chaperonin; AltName: Full=GroES protein; AltName: Full=Protein Cpn10 [Escherichia coli E24377A]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 37 no SP A8A7N8 . "RecName: Full=10 kDa chaperonin; AltName: Full=GroES protein; AltName: Full=Protein Cpn10 [Escherichia coli HS]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 38 no SP B1ITQ6 . "RecName: Full=10 kDa chaperonin; AltName: Full=GroES protein; AltName: Full=Protein Cpn10 [Escherichia coli ATCC 8739]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 39 no SP B1LQG3 . "RecName: Full=10 kDa chaperonin; AltName: Full=GroES protein; AltName: Full=Protein Cpn10 [Escherichia coli SMS-3-5]" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 40 no SP B1XDP6 . "RecName: Full=10 kDa chaperonin; AltName: Full=GroES protein; AltName: Full=Protein Cpn10 [Escherichia coli str. K-12 substr. D" . . . . . 100.00 97 100.00 100.00 5.64e-59 . . . . 7091 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID co-chaperonin . 7091 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 . 7091 1 2 . ASN . 7091 1 3 . ILE . 7091 1 4 . ARG . 7091 1 5 . PRO . 7091 1 6 . LEU . 7091 1 7 . HIS . 7091 1 8 . ASP . 7091 1 9 . ARG . 7091 1 10 . VAL . 7091 1 11 . ILE . 7091 1 12 . VAL . 7091 1 13 . LYS . 7091 1 14 . ARG . 7091 1 15 . LYS . 7091 1 16 . GLU . 7091 1 17 . VAL . 7091 1 18 . GLU . 7091 1 19 . THR . 7091 1 20 . LYS . 7091 1 21 . SER . 7091 1 22 . ALA . 7091 1 23 . GLY . 7091 1 24 . GLY . 7091 1 25 . ILE . 7091 1 26 . VAL . 7091 1 27 . LEU . 7091 1 28 . THR . 7091 1 29 . GLY . 7091 1 30 . SER . 7091 1 31 . ALA . 7091 1 32 . ALA . 7091 1 33 . ALA . 7091 1 34 . LYS . 7091 1 35 . SER . 7091 1 36 . THR . 7091 1 37 . ARG . 7091 1 38 . GLY . 7091 1 39 . GLU . 7091 1 40 . VAL . 7091 1 41 . LEU . 7091 1 42 . ALA . 7091 1 43 . VAL . 7091 1 44 . GLY . 7091 1 45 . ASN . 7091 1 46 . GLY . 7091 1 47 . ARG . 7091 1 48 . ILE . 7091 1 49 . LEU . 7091 1 50 . GLU . 7091 1 51 . ASN . 7091 1 52 . GLY . 7091 1 53 . GLU . 7091 1 54 . VAL . 7091 1 55 . LYS . 7091 1 56 . PRO . 7091 1 57 . LEU . 7091 1 58 . ASP . 7091 1 59 . VAL . 7091 1 60 . LYS . 7091 1 61 . VAL . 7091 1 62 . GLY . 7091 1 63 . ASP . 7091 1 64 . ILE . 7091 1 65 . VAL . 7091 1 66 . ILE . 7091 1 67 . PHE . 7091 1 68 . ASN . 7091 1 69 . ASP . 7091 1 70 . GLY . 7091 1 71 . TYR . 7091 1 72 . GLY . 7091 1 73 . VAL . 7091 1 74 . LYS . 7091 1 75 . SER . 7091 1 76 . GLU . 7091 1 77 . LYS . 7091 1 78 . ILE . 7091 1 79 . ASP . 7091 1 80 . ASN . 7091 1 81 . GLU . 7091 1 82 . GLU . 7091 1 83 . VAL . 7091 1 84 . LEU . 7091 1 85 . ILE . 7091 1 86 . MET . 7091 1 87 . SER . 7091 1 88 . GLU . 7091 1 89 . SER . 7091 1 90 . ASP . 7091 1 91 . ILE . 7091 1 92 . LEU . 7091 1 93 . ALA . 7091 1 94 . ILE . 7091 1 95 . VAL . 7091 1 96 . GLU . 7091 1 97 . ALA . 7091 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 7091 1 . ASN 2 2 7091 1 . ILE 3 3 7091 1 . ARG 4 4 7091 1 . PRO 5 5 7091 1 . LEU 6 6 7091 1 . HIS 7 7 7091 1 . ASP 8 8 7091 1 . ARG 9 9 7091 1 . VAL 10 10 7091 1 . ILE 11 11 7091 1 . VAL 12 12 7091 1 . LYS 13 13 7091 1 . ARG 14 14 7091 1 . LYS 15 15 7091 1 . GLU 16 16 7091 1 . VAL 17 17 7091 1 . GLU 18 18 7091 1 . THR 19 19 7091 1 . LYS 20 20 7091 1 . SER 21 21 7091 1 . ALA 22 22 7091 1 . GLY 23 23 7091 1 . GLY 24 24 7091 1 . ILE 25 25 7091 1 . VAL 26 26 7091 1 . LEU 27 27 7091 1 . THR 28 28 7091 1 . GLY 29 29 7091 1 . SER 30 30 7091 1 . ALA 31 31 7091 1 . ALA 32 32 7091 1 . ALA 33 33 7091 1 . LYS 34 34 7091 1 . SER 35 35 7091 1 . THR 36 36 7091 1 . ARG 37 37 7091 1 . GLY 38 38 7091 1 . GLU 39 39 7091 1 . VAL 40 40 7091 1 . LEU 41 41 7091 1 . ALA 42 42 7091 1 . VAL 43 43 7091 1 . GLY 44 44 7091 1 . ASN 45 45 7091 1 . GLY 46 46 7091 1 . ARG 47 47 7091 1 . ILE 48 48 7091 1 . LEU 49 49 7091 1 . GLU 50 50 7091 1 . ASN 51 51 7091 1 . GLY 52 52 7091 1 . GLU 53 53 7091 1 . VAL 54 54 7091 1 . LYS 55 55 7091 1 . PRO 56 56 7091 1 . LEU 57 57 7091 1 . ASP 58 58 7091 1 . VAL 59 59 7091 1 . LYS 60 60 7091 1 . VAL 61 61 7091 1 . GLY 62 62 7091 1 . ASP 63 63 7091 1 . ILE 64 64 7091 1 . VAL 65 65 7091 1 . ILE 66 66 7091 1 . PHE 67 67 7091 1 . ASN 68 68 7091 1 . ASP 69 69 7091 1 . GLY 70 70 7091 1 . TYR 71 71 7091 1 . GLY 72 72 7091 1 . VAL 73 73 7091 1 . LYS 74 74 7091 1 . SER 75 75 7091 1 . GLU 76 76 7091 1 . LYS 77 77 7091 1 . ILE 78 78 7091 1 . ASP 79 79 7091 1 . ASN 80 80 7091 1 . GLU 81 81 7091 1 . GLU 82 82 7091 1 . VAL 83 83 7091 1 . LEU 84 84 7091 1 . ILE 85 85 7091 1 . MET 86 86 7091 1 . SER 87 87 7091 1 . GLU 88 88 7091 1 . SER 89 89 7091 1 . ASP 90 90 7091 1 . ILE 91 91 7091 1 . LEU 92 92 7091 1 . ALA 93 93 7091 1 . ILE 94 94 7091 1 . VAL 95 95 7091 1 . GLU 96 96 7091 1 . ALA 97 97 7091 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 7091 _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 $co-chaperonin_GroES . 561 . no . 'Escherichia coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 7091 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 7091 _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 $co-chaperonin_GroES . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7091 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7091 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 7 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GroES . . . 1 $co-chaperonin_GroES . protein . . . . . . . . 7091 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7091 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.2 0.1 pH 7091 1 temperature 298 0.2 K 7091 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7091 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D [15N, 1H]-TROSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7091 1 2 '3D [15N,1H]-TROSY-HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7091 1 3 '3D 13C-ct.-[15N,1H]-TROSY-HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7091 1 4 '3D [15N,1H]-TROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7091 1 5 '3D [1H,1H]-NOESY-[15N,1H]-TROSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7091 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7091 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7091 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7091 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7091 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7091 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D [15N, 1H]-TROSY' 1 $sample_1 isotropic 7091 1 2 '3D [15N,1H]-TROSY-HNCA' 1 $sample_1 isotropic 7091 1 3 '3D 13C-ct.-[15N,1H]-TROSY-HNCA' 1 $sample_1 isotropic 7091 1 4 '3D [15N,1H]-TROSY-HNCACB' 1 $sample_1 isotropic 7091 1 5 '3D [1H,1H]-NOESY-[15N,1H]-TROSY' 1 $sample_1 isotropic 7091 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.675 0.000 . . . . . . 1 MET CA . 7091 1 2 . 1 1 1 1 MET CB C 13 32.200 0.000 . . . . . . 1 MET CB . 7091 1 3 . 1 1 2 2 ASN H H 1 8.891 0.000 . . . . . . 2 ASN H . 7091 1 4 . 1 1 2 2 ASN CA C 13 52.399 0.013 . . . . . . 2 ASN CA . 7091 1 5 . 1 1 2 2 ASN CB C 13 39.130 0.000 . . . . . . 2 ASN CB . 7091 1 6 . 1 1 2 2 ASN N N 15 123.124 0.000 . . . . . . 2 ASN N . 7091 1 7 . 1 1 3 3 ILE H H 1 7.812 0.000 . . . . . . 3 ILE H . 7091 1 8 . 1 1 3 3 ILE CA C 13 59.177 0.026 . . . . . . 3 ILE CA . 7091 1 9 . 1 1 3 3 ILE CB C 13 38.565 0.000 . . . . . . 3 ILE CB . 7091 1 10 . 1 1 3 3 ILE N N 15 119.920 0.000 . . . . . . 3 ILE N . 7091 1 11 . 1 1 4 4 ARG H H 1 9.174 0.000 . . . . . . 4 ARG H . 7091 1 12 . 1 1 4 4 ARG CA C 13 51.267 0.000 . . . . . . 4 ARG CA . 7091 1 13 . 1 1 4 4 ARG N N 15 127.992 0.000 . . . . . . 4 ARG N . 7091 1 14 . 1 1 6 6 LEU CA C 13 53.322 0.000 . . . . . . 6 LEU CA . 7091 1 15 . 1 1 7 7 HIS H H 1 9.197 0.000 . . . . . . 7 HIS H . 7091 1 16 . 1 1 7 7 HIS CA C 13 56.042 0.013 . . . . . . 7 HIS CA . 7091 1 17 . 1 1 7 7 HIS N N 15 118.031 0.000 . . . . . . 7 HIS N . 7091 1 18 . 1 1 8 8 ASP H H 1 8.979 0.000 . . . . . . 8 ASP H . 7091 1 19 . 1 1 8 8 ASP CA C 13 52.229 0.000 . . . . . . 8 ASP CA . 7091 1 20 . 1 1 8 8 ASP N N 15 120.528 0.000 . . . . . . 8 ASP N . 7091 1 21 . 1 1 9 9 ARG H H 1 7.670 0.000 . . . . . . 9 ARG H . 7091 1 22 . 1 1 9 9 ARG CA C 13 54.941 0.000 . . . . . . 9 ARG CA . 7091 1 23 . 1 1 9 9 ARG N N 15 119.647 0.000 . . . . . . 9 ARG N . 7091 1 24 . 1 1 10 10 VAL H H 1 8.784 0.000 . . . . . . 10 VAL H . 7091 1 25 . 1 1 10 10 VAL CA C 13 59.567 0.000 . . . . . . 10 VAL CA . 7091 1 26 . 1 1 10 10 VAL N N 15 115.075 0.000 . . . . . . 10 VAL N . 7091 1 27 . 1 1 12 12 VAL H H 1 9.392 0.000 . . . . . . 12 VAL H . 7091 1 28 . 1 1 12 12 VAL CA C 13 59.177 0.026 . . . . . . 12 VAL CA . 7091 1 29 . 1 1 12 12 VAL N N 15 129.126 0.000 . . . . . . 12 VAL N . 7091 1 30 . 1 1 13 13 LYS H H 1 8.900 0.000 . . . . . . 13 LYS H . 7091 1 31 . 1 1 13 13 LYS CA C 13 53.296 0.026 . . . . . . 13 LYS CA . 7091 1 32 . 1 1 13 13 LYS N N 15 125.494 0.000 . . . . . . 13 LYS N . 7091 1 33 . 1 1 14 14 ARG H H 1 9.283 0.000 . . . . . . 14 ARG H . 7091 1 34 . 1 1 14 14 ARG CA C 13 57.629 0.013 . . . . . . 14 ARG CA . 7091 1 35 . 1 1 14 14 ARG CB C 13 30.101 0.000 . . . . . . 14 ARG CB . 7091 1 36 . 1 1 14 14 ARG N N 15 129.558 0.000 . . . . . . 14 ARG N . 7091 1 37 . 1 1 15 15 LYS H H 1 8.727 0.000 . . . . . . 15 LYS H . 7091 1 38 . 1 1 15 15 LYS CA C 13 54.194 0.039 . . . . . . 15 LYS CA . 7091 1 39 . 1 1 15 15 LYS N N 15 126.852 0.000 . . . . . . 15 LYS N . 7091 1 40 . 1 1 16 16 GLU H H 1 8.622 0.000 . . . . . . 16 GLU H . 7091 1 41 . 1 1 16 16 GLU CA C 13 55.404 0.026 . . . . . . 16 GLU CA . 7091 1 42 . 1 1 16 16 GLU N N 15 124.278 0.000 . . . . . . 16 GLU N . 7091 1 43 . 1 1 17 17 VAL H H 1 8.425 0.000 . . . . . . 17 VAL H . 7091 1 44 . 1 1 17 17 VAL CA C 13 61.598 0.051 . . . . . . 17 VAL CA . 7091 1 45 . 1 1 17 17 VAL N N 15 121.994 0.000 . . . . . . 17 VAL N . 7091 1 46 . 1 1 18 18 GLU H H 1 8.517 0.000 . . . . . . 18 GLU H . 7091 1 47 . 1 1 18 18 GLU CA C 13 55.837 0.043 . . . . . . 18 GLU CA . 7091 1 48 . 1 1 18 18 GLU CB C 13 29.295 0.000 . . . . . . 18 GLU CB . 7091 1 49 . 1 1 18 18 GLU N N 15 125.664 0.000 . . . . . . 18 GLU N . 7091 1 50 . 1 1 19 19 THR H H 1 8.296 0.000 . . . . . . 19 THR H . 7091 1 51 . 1 1 19 19 THR CA C 13 61.285 0.026 . . . . . . 19 THR CA . 7091 1 52 . 1 1 19 19 THR CB C 13 69.198 0.000 . . . . . . 19 THR CB . 7091 1 53 . 1 1 19 19 THR N N 15 117.606 0.000 . . . . . . 19 THR N . 7091 1 54 . 1 1 20 20 LYS H H 1 8.399 0.000 . . . . . . 20 LYS H . 7091 1 55 . 1 1 20 20 LYS CA C 13 55.456 0.052 . . . . . . 20 LYS CA . 7091 1 56 . 1 1 20 20 LYS CB C 13 32.036 0.000 . . . . . . 20 LYS CB . 7091 1 57 . 1 1 20 20 LYS N N 15 124.443 0.000 . . . . . . 20 LYS N . 7091 1 58 . 1 1 21 21 SER H H 1 8.371 0.000 . . . . . . 21 SER H . 7091 1 59 . 1 1 21 21 SER CA C 13 57.356 0.026 . . . . . . 21 SER CA . 7091 1 60 . 1 1 21 21 SER CB C 13 63.555 0.000 . . . . . . 21 SER CB . 7091 1 61 . 1 1 21 21 SER N N 15 117.548 0.000 . . . . . . 21 SER N . 7091 1 62 . 1 1 22 22 ALA H H 1 8.429 0.000 . . . . . . 22 ALA H . 7091 1 63 . 1 1 22 22 ALA CA C 13 52.299 0.000 . . . . . . 22 ALA CA . 7091 1 64 . 1 1 22 22 ALA CB C 13 17.885 0.000 . . . . . . 22 ALA CB . 7091 1 65 . 1 1 22 22 ALA N N 15 126.438 0.000 . . . . . . 22 ALA N . 7091 1 66 . 1 1 23 23 GLY H H 1 8.323 0.000 . . . . . . 23 GLY H . 7091 1 67 . 1 1 23 23 GLY CA C 13 44.768 0.019 . . . . . . 23 GLY CA . 7091 1 68 . 1 1 23 23 GLY N N 15 108.360 0.000 . . . . . . 23 GLY N . 7091 1 69 . 1 1 24 24 GLY H H 1 8.135 0.000 . . . . . . 24 GLY H . 7091 1 70 . 1 1 24 24 GLY CA C 13 44.513 0.014 . . . . . . 24 GLY CA . 7091 1 71 . 1 1 24 24 GLY N N 15 109.039 0.000 . . . . . . 24 GLY N . 7091 1 72 . 1 1 25 25 ILE H H 1 7.769 0.000 . . . . . . 25 ILE H . 7091 1 73 . 1 1 25 25 ILE CA C 13 60.129 0.011 . . . . . . 25 ILE CA . 7091 1 74 . 1 1 25 25 ILE N N 15 120.801 0.000 . . . . . . 25 ILE N . 7091 1 75 . 1 1 26 26 VAL H H 1 8.260 0.000 . . . . . . 26 VAL H . 7091 1 76 . 1 1 26 26 VAL CA C 13 61.735 0.034 . . . . . . 26 VAL CA . 7091 1 77 . 1 1 26 26 VAL N N 15 126.222 0.000 . . . . . . 26 VAL N . 7091 1 78 . 1 1 27 27 LEU H H 1 8.430 0.000 . . . . . . 27 LEU H . 7091 1 79 . 1 1 27 27 LEU CA C 13 54.246 0.013 . . . . . . 27 LEU CA . 7091 1 80 . 1 1 27 27 LEU CB C 13 40.984 0.000 . . . . . . 27 LEU CB . 7091 1 81 . 1 1 27 27 LEU N N 15 127.837 0.000 . . . . . . 27 LEU N . 7091 1 82 . 1 1 28 28 THR H H 1 8.071 0.000 . . . . . . 28 THR H . 7091 1 83 . 1 1 28 28 THR CA C 13 60.999 0.026 . . . . . . 28 THR CA . 7091 1 84 . 1 1 28 28 THR CB C 13 69.520 0.000 . . . . . . 28 THR CB . 7091 1 85 . 1 1 28 28 THR N N 15 115.035 0.000 . . . . . . 28 THR N . 7091 1 86 . 1 1 29 29 GLY H H 1 8.454 0.000 . . . . . . 29 GLY H . 7091 1 87 . 1 1 29 29 GLY CA C 13 44.891 0.026 . . . . . . 29 GLY CA . 7091 1 88 . 1 1 29 29 GLY N N 15 111.519 0.000 . . . . . . 29 GLY N . 7091 1 89 . 1 1 30 30 SER H H 1 8.266 0.000 . . . . . . 30 SER H . 7091 1 90 . 1 1 30 30 SER CA C 13 58.197 0.017 . . . . . . 30 SER CA . 7091 1 91 . 1 1 30 30 SER CB C 13 63.175 0.023 . . . . . . 30 SER CB . 7091 1 92 . 1 1 30 30 SER N N 15 117.049 0.000 . . . . . . 30 SER N . 7091 1 93 . 1 1 31 31 ALA H H 1 8.260 0.000 . . . . . . 31 ALA H . 7091 1 94 . 1 1 31 31 ALA CA C 13 52.014 0.019 . . . . . . 31 ALA CA . 7091 1 95 . 1 1 31 31 ALA CB C 13 18.014 0.000 . . . . . . 31 ALA CB . 7091 1 96 . 1 1 31 31 ALA N N 15 125.814 0.000 . . . . . . 31 ALA N . 7091 1 97 . 1 1 32 32 ALA H H 1 7.944 0.000 . . . . . . 32 ALA H . 7091 1 98 . 1 1 32 32 ALA CA C 13 51.543 0.000 . . . . . . 32 ALA CA . 7091 1 99 . 1 1 32 32 ALA CB C 13 17.959 0.010 . . . . . . 32 ALA CB . 7091 1 100 . 1 1 32 32 ALA N N 15 122.520 0.000 . . . . . . 32 ALA N . 7091 1 101 . 1 1 33 33 ALA H H 1 7.973 0.000 . . . . . . 33 ALA H . 7091 1 102 . 1 1 33 33 ALA CA C 13 51.643 0.000 . . . . . . 33 ALA CA . 7091 1 103 . 1 1 33 33 ALA CB C 13 -40.993 0.000 . . . . . . 33 ALA CB . 7091 1 104 . 1 1 33 33 ALA N N 15 123.431 0.000 . . . . . . 33 ALA N . 7091 1 105 . 1 1 34 34 LYS H H 1 8.152 0.000 . . . . . . 34 LYS H . 7091 1 106 . 1 1 34 34 LYS CA C 13 55.066 0.026 . . . . . . 34 LYS CA . 7091 1 107 . 1 1 34 34 LYS CB C 13 -26.686 0.000 . . . . . . 34 LYS CB . 7091 1 108 . 1 1 34 34 LYS N N 15 120.549 0.000 . . . . . . 34 LYS N . 7091 1 109 . 1 1 35 35 SER H H 1 8.665 0.000 . . . . . . 35 SER H . 7091 1 110 . 1 1 35 35 SER CA C 13 57.616 0.000 . . . . . . 35 SER CA . 7091 1 111 . 1 1 35 35 SER CB C 13 63.716 0.000 . . . . . . 35 SER CB . 7091 1 112 . 1 1 35 35 SER N N 15 118.003 0.000 . . . . . . 35 SER N . 7091 1 113 . 1 1 36 36 THR H H 1 8.258 0.000 . . . . . . 36 THR H . 7091 1 114 . 1 1 36 36 THR CA C 13 60.452 0.104 . . . . . . 36 THR CA . 7091 1 115 . 1 1 36 36 THR N N 15 117.992 0.000 . . . . . . 36 THR N . 7091 1 116 . 1 1 37 37 ARG H H 1 7.898 0.000 . . . . . . 37 ARG H . 7091 1 117 . 1 1 37 37 ARG CA C 13 52.763 0.065 . . . . . . 37 ARG CA . 7091 1 118 . 1 1 37 37 ARG N N 15 120.017 0.000 . . . . . . 37 ARG N . 7091 1 119 . 1 1 38 38 GLY H H 1 8.944 0.000 . . . . . . 38 GLY H . 7091 1 120 . 1 1 38 38 GLY CA C 13 44.748 0.013 . . . . . . 38 GLY CA . 7091 1 121 . 1 1 38 38 GLY N N 15 107.208 0.000 . . . . . . 38 GLY N . 7091 1 122 . 1 1 39 39 GLU H H 1 8.886 0.000 . . . . . . 39 GLU H . 7091 1 123 . 1 1 39 39 GLU CA C 13 53.101 0.065 . . . . . . 39 GLU CA . 7091 1 124 . 1 1 39 39 GLU N N 15 121.670 0.000 . . . . . . 39 GLU N . 7091 1 125 . 1 1 40 40 VAL H H 1 9.187 0.000 . . . . . . 40 VAL H . 7091 1 126 . 1 1 40 40 VAL CA C 13 63.380 0.092 . . . . . . 40 VAL CA . 7091 1 127 . 1 1 40 40 VAL N N 15 126.876 0.000 . . . . . . 40 VAL N . 7091 1 128 . 1 1 41 41 LEU H H 1 9.507 0.000 . . . . . . 41 LEU H . 7091 1 129 . 1 1 41 41 LEU CA C 13 54.846 0.014 . . . . . . 41 LEU CA . 7091 1 130 . 1 1 41 41 LEU N N 15 130.730 0.000 . . . . . . 41 LEU N . 7091 1 131 . 1 1 42 42 ALA H H 1 7.538 0.000 . . . . . . 42 ALA H . 7091 1 132 . 1 1 42 42 ALA CA C 13 51.644 0.013 . . . . . . 42 ALA CA . 7091 1 133 . 1 1 42 42 ALA N N 15 118.223 0.000 . . . . . . 42 ALA N . 7091 1 134 . 1 1 43 43 VAL H H 1 8.804 0.000 . . . . . . 43 VAL H . 7091 1 135 . 1 1 43 43 VAL CA C 13 59.268 0.065 . . . . . . 43 VAL CA . 7091 1 136 . 1 1 43 43 VAL CB C 13 34.857 0.000 . . . . . . 43 VAL CB . 7091 1 137 . 1 1 43 43 VAL N N 15 115.535 0.000 . . . . . . 43 VAL N . 7091 1 138 . 1 1 44 44 GLY H H 1 8.097 0.000 . . . . . . 44 GLY H . 7091 1 139 . 1 1 44 44 GLY CA C 13 43.903 0.000 . . . . . . 44 GLY CA . 7091 1 140 . 1 1 44 44 GLY N N 15 111.420 0.000 . . . . . . 44 GLY N . 7091 1 141 . 1 1 45 45 ASN CA C 13 53.752 0.000 . . . . . . 45 ASN CA . 7091 1 142 . 1 1 46 46 GLY H H 1 7.874 0.000 . . . . . . 46 GLY H . 7091 1 143 . 1 1 46 46 GLY CA C 13 43.642 0.000 . . . . . . 46 GLY CA . 7091 1 144 . 1 1 46 46 GLY N N 15 105.664 0.000 . . . . . . 46 GLY N . 7091 1 145 . 1 1 47 47 ARG H H 1 8.000 0.000 . . . . . . 47 ARG H . 7091 1 146 . 1 1 47 47 ARG CA C 13 54.584 0.091 . . . . . . 47 ARG CA . 7091 1 147 . 1 1 47 47 ARG CB C 13 31.069 0.000 . . . . . . 47 ARG CB . 7091 1 148 . 1 1 47 47 ARG N N 15 119.923 0.000 . . . . . . 47 ARG N . 7091 1 149 . 1 1 48 48 ILE H H 1 8.372 0.000 . . . . . . 48 ILE H . 7091 1 150 . 1 1 48 48 ILE CA C 13 59.961 0.003 . . . . . . 48 ILE CA . 7091 1 151 . 1 1 48 48 ILE N N 15 124.477 0.000 . . . . . . 48 ILE N . 7091 1 152 . 1 1 49 49 LEU H H 1 8.883 0.000 . . . . . . 49 LEU H . 7091 1 153 . 1 1 49 49 LEU CA C 13 53.426 0.000 . . . . . . 49 LEU CA . 7091 1 154 . 1 1 49 49 LEU CB C 13 40.581 0.000 . . . . . . 49 LEU CB . 7091 1 155 . 1 1 49 49 LEU N N 15 129.558 0.000 . . . . . . 49 LEU N . 7091 1 156 . 1 1 50 50 GLU H H 1 8.721 0.000 . . . . . . 50 GLU H . 7091 1 157 . 1 1 50 50 GLU CA C 13 58.383 0.013 . . . . . . 50 GLU CA . 7091 1 158 . 1 1 50 50 GLU N N 15 120.876 0.000 . . . . . . 50 GLU N . 7091 1 159 . 1 1 51 51 ASN H H 1 7.640 0.000 . . . . . . 51 ASN H . 7091 1 160 . 1 1 51 51 ASN CA C 13 51.748 0.013 . . . . . . 51 ASN CA . 7091 1 161 . 1 1 51 51 ASN N N 15 114.074 0.000 . . . . . . 51 ASN N . 7091 1 162 . 1 1 52 52 GLY H H 1 8.184 0.000 . . . . . . 52 GLY H . 7091 1 163 . 1 1 52 52 GLY CA C 13 44.569 0.062 . . . . . . 52 GLY CA . 7091 1 164 . 1 1 52 52 GLY N N 15 108.959 0.000 . . . . . . 52 GLY N . 7091 1 165 . 1 1 53 53 GLU H H 1 7.697 0.000 . . . . . . 53 GLU H . 7091 1 166 . 1 1 53 53 GLU CA C 13 55.560 0.000 . . . . . . 53 GLU CA . 7091 1 167 . 1 1 53 53 GLU CB C 13 29.091 0.038 . . . . . . 53 GLU CB . 7091 1 168 . 1 1 53 53 GLU N N 15 120.869 0.000 . . . . . . 53 GLU N . 7091 1 169 . 1 1 54 54 VAL H H 1 8.209 0.000 . . . . . . 54 VAL H . 7091 1 170 . 1 1 54 54 VAL CA C 13 60.205 0.013 . . . . . . 54 VAL CA . 7091 1 171 . 1 1 54 54 VAL CB C 13 31.912 0.000 . . . . . . 54 VAL CB . 7091 1 172 . 1 1 54 54 VAL N N 15 120.449 0.000 . . . . . . 54 VAL N . 7091 1 173 . 1 1 55 55 LYS H H 1 9.082 0.000 . . . . . . 55 LYS H . 7091 1 174 . 1 1 55 55 LYS CA C 13 51.058 0.000 . . . . . . 55 LYS CA . 7091 1 175 . 1 1 55 55 LYS CB C 13 32.439 0.000 . . . . . . 55 LYS CB . 7091 1 176 . 1 1 55 55 LYS N N 15 130.865 0.000 . . . . . . 55 LYS N . 7091 1 177 . 1 1 57 57 LEU H H 1 8.515 0.000 . . . . . . 57 LEU H . 7091 1 178 . 1 1 57 57 LEU CA C 13 54.159 0.029 . . . . . . 57 LEU CA . 7091 1 179 . 1 1 57 57 LEU CB C 13 40.016 0.000 . . . . . . 57 LEU CB . 7091 1 180 . 1 1 57 57 LEU N N 15 119.280 0.000 . . . . . . 57 LEU N . 7091 1 181 . 1 1 58 58 ASP H H 1 9.536 0.000 . . . . . . 58 ASP H . 7091 1 182 . 1 1 58 58 ASP CA C 13 54.604 0.045 . . . . . . 58 ASP CA . 7091 1 183 . 1 1 58 58 ASP N N 15 122.116 0.000 . . . . . . 58 ASP N . 7091 1 184 . 1 1 59 59 VAL H H 1 7.041 0.000 . . . . . . 59 VAL H . 7091 1 185 . 1 1 59 59 VAL CA C 13 59.873 0.045 . . . . . . 59 VAL CA . 7091 1 186 . 1 1 59 59 VAL CB C 13 32.762 0.000 . . . . . . 59 VAL CB . 7091 1 187 . 1 1 59 59 VAL N N 15 113.491 0.000 . . . . . . 59 VAL N . 7091 1 188 . 1 1 60 60 LYS H H 1 8.825 0.000 . . . . . . 60 LYS H . 7091 1 189 . 1 1 60 60 LYS CA C 13 53.403 0.106 . . . . . . 60 LYS CA . 7091 1 190 . 1 1 60 60 LYS CB C 13 34.781 0.004 . . . . . . 60 LYS CB . 7091 1 191 . 1 1 60 60 LYS N N 15 122.466 0.000 . . . . . . 60 LYS N . 7091 1 192 . 1 1 61 61 VAL H H 1 8.229 0.000 . . . . . . 61 VAL H . 7091 1 193 . 1 1 61 61 VAL CA C 13 65.084 0.078 . . . . . . 61 VAL CA . 7091 1 194 . 1 1 61 61 VAL CB C 13 30.064 0.037 . . . . . . 61 VAL CB . 7091 1 195 . 1 1 61 61 VAL N N 15 120.100 0.000 . . . . . . 61 VAL N . 7091 1 196 . 1 1 62 62 GLY H H 1 8.914 0.000 . . . . . . 62 GLY H . 7091 1 197 . 1 1 62 62 GLY CA C 13 43.840 0.167 . . . . . . 62 GLY CA . 7091 1 198 . 1 1 62 62 GLY N N 15 117.280 0.000 . . . . . . 62 GLY N . 7091 1 199 . 1 1 63 63 ASP H H 1 7.999 0.000 . . . . . . 63 ASP H . 7091 1 200 . 1 1 63 63 ASP CA C 13 55.170 0.026 . . . . . . 63 ASP CA . 7091 1 201 . 1 1 63 63 ASP N N 15 122.189 0.000 . . . . . . 63 ASP N . 7091 1 202 . 1 1 64 64 ILE H H 1 8.866 0.000 . . . . . . 64 ILE H . 7091 1 203 . 1 1 64 64 ILE CA C 13 57.632 0.010 . . . . . . 64 ILE CA . 7091 1 204 . 1 1 64 64 ILE CB C 13 34.535 0.000 . . . . . . 64 ILE CB . 7091 1 205 . 1 1 64 64 ILE N N 15 123.223 0.000 . . . . . . 64 ILE N . 7091 1 206 . 1 1 65 65 VAL H H 1 9.122 0.000 . . . . . . 65 VAL H . 7091 1 207 . 1 1 65 65 VAL CA C 13 57.225 0.000 . . . . . . 65 VAL CA . 7091 1 208 . 1 1 65 65 VAL CB C 13 33.937 0.000 . . . . . . 65 VAL CB . 7091 1 209 . 1 1 65 65 VAL N N 15 117.459 0.000 . . . . . . 65 VAL N . 7091 1 210 . 1 1 66 66 ILE CA C 13 59.125 0.000 . . . . . . 66 ILE CA . 7091 1 211 . 1 1 67 67 PHE H H 1 8.319 0.000 . . . . . . 67 PHE H . 7091 1 212 . 1 1 67 67 PHE CA C 13 54.116 0.013 . . . . . . 67 PHE CA . 7091 1 213 . 1 1 67 67 PHE N N 15 124.031 0.000 . . . . . . 67 PHE N . 7091 1 214 . 1 1 68 68 ASN H H 1 8.888 0.000 . . . . . . 68 ASN H . 7091 1 215 . 1 1 68 68 ASN CA C 13 51.410 0.013 . . . . . . 68 ASN CA . 7091 1 216 . 1 1 68 68 ASN CB C 13 38.968 0.080 . . . . . . 68 ASN CB . 7091 1 217 . 1 1 68 68 ASN N N 15 118.343 0.000 . . . . . . 68 ASN N . 7091 1 218 . 1 1 69 69 ASP H H 1 8.398 0.000 . . . . . . 69 ASP H . 7091 1 219 . 1 1 69 69 ASP CA C 13 52.633 0.039 . . . . . . 69 ASP CA . 7091 1 220 . 1 1 69 69 ASP CB C 13 39.815 0.040 . . . . . . 69 ASP CB . 7091 1 221 . 1 1 69 69 ASP N N 15 126.018 0.000 . . . . . . 69 ASP N . 7091 1 222 . 1 1 70 70 GLY H H 1 7.726 0.000 . . . . . . 70 GLY H . 7091 1 223 . 1 1 70 70 GLY CA C 13 44.163 0.026 . . . . . . 70 GLY CA . 7091 1 224 . 1 1 70 70 GLY N N 15 109.512 0.000 . . . . . . 70 GLY N . 7091 1 225 . 1 1 71 71 TYR H H 1 8.306 0.000 . . . . . . 71 TYR H . 7091 1 226 . 1 1 71 71 TYR CA C 13 59.216 0.013 . . . . . . 71 TYR CA . 7091 1 227 . 1 1 71 71 TYR CB C 13 37.034 0.081 . . . . . . 71 TYR CB . 7091 1 228 . 1 1 71 71 TYR N N 15 120.673 0.000 . . . . . . 71 TYR N . 7091 1 229 . 1 1 72 72 GLY H H 1 8.591 0.000 . . . . . . 72 GLY H . 7091 1 230 . 1 1 72 72 GLY CA C 13 44.657 0.026 . . . . . . 72 GLY CA . 7091 1 231 . 1 1 72 72 GLY N N 15 109.585 0.000 . . . . . . 72 GLY N . 7091 1 232 . 1 1 73 73 VAL H H 1 7.515 0.000 . . . . . . 73 VAL H . 7091 1 233 . 1 1 73 73 VAL CA C 13 61.996 0.069 . . . . . . 73 VAL CA . 7091 1 234 . 1 1 73 73 VAL CB C 13 30.786 0.040 . . . . . . 73 VAL CB . 7091 1 235 . 1 1 73 73 VAL N N 15 122.562 0.000 . . . . . . 73 VAL N . 7091 1 236 . 1 1 74 74 LYS H H 1 8.577 0.000 . . . . . . 74 LYS H . 7091 1 237 . 1 1 74 74 LYS CA C 13 53.348 0.000 . . . . . . 74 LYS CA . 7091 1 238 . 1 1 74 74 LYS CB C 13 32.923 0.000 . . . . . . 74 LYS CB . 7091 1 239 . 1 1 74 74 LYS N N 15 128.780 0.000 . . . . . . 74 LYS N . 7091 1 240 . 1 1 75 75 SER H H 1 8.555 0.000 . . . . . . 75 SER H . 7091 1 241 . 1 1 75 75 SER CA C 13 56.848 0.039 . . . . . . 75 SER CA . 7091 1 242 . 1 1 75 75 SER CB C 13 63.313 0.000 . . . . . . 75 SER CB . 7091 1 243 . 1 1 75 75 SER N N 15 120.121 0.000 . . . . . . 75 SER N . 7091 1 244 . 1 1 76 76 GLU H H 1 8.955 0.000 . . . . . . 76 GLU H . 7091 1 245 . 1 1 76 76 GLU CA C 13 53.964 0.035 . . . . . . 76 GLU CA . 7091 1 246 . 1 1 76 76 GLU N N 15 127.568 0.000 . . . . . . 76 GLU N . 7091 1 247 . 1 1 77 77 LYS H H 1 8.626 0.000 . . . . . . 77 LYS H . 7091 1 248 . 1 1 77 77 LYS CA C 13 54.688 0.065 . . . . . . 77 LYS CA . 7091 1 249 . 1 1 77 77 LYS CB C 13 32.721 0.121 . . . . . . 77 LYS CB . 7091 1 250 . 1 1 77 77 LYS N N 15 122.738 0.000 . . . . . . 77 LYS N . 7091 1 251 . 1 1 78 78 ILE H H 1 8.571 0.000 . . . . . . 78 ILE H . 7091 1 252 . 1 1 78 78 ILE CA C 13 59.164 0.013 . . . . . . 78 ILE CA . 7091 1 253 . 1 1 78 78 ILE CB C 13 38.162 0.080 . . . . . . 78 ILE CB . 7091 1 254 . 1 1 78 78 ILE N N 15 125.069 0.000 . . . . . . 78 ILE N . 7091 1 255 . 1 1 79 79 ASP H H 1 9.049 0.000 . . . . . . 79 ASP H . 7091 1 256 . 1 1 79 79 ASP CA C 13 55.651 0.013 . . . . . . 79 ASP CA . 7091 1 257 . 1 1 79 79 ASP N N 15 128.904 0.000 . . . . . . 79 ASP N . 7091 1 258 . 1 1 80 80 ASN H H 1 8.543 0.000 . . . . . . 80 ASN H . 7091 1 259 . 1 1 80 80 ASN CA C 13 53.747 0.008 . . . . . . 80 ASN CA . 7091 1 260 . 1 1 80 80 ASN N N 15 113.406 0.000 . . . . . . 80 ASN N . 7091 1 261 . 1 1 81 81 GLU H H 1 7.921 0.000 . . . . . . 81 GLU H . 7091 1 262 . 1 1 81 81 GLU CA C 13 54.480 0.013 . . . . . . 81 GLU CA . 7091 1 263 . 1 1 81 81 GLU CB C 13 30.988 0.081 . . . . . . 81 GLU CB . 7091 1 264 . 1 1 81 81 GLU N N 15 120.583 0.000 . . . . . . 81 GLU N . 7091 1 265 . 1 1 82 82 GLU H H 1 8.578 0.000 . . . . . . 82 GLU H . 7091 1 266 . 1 1 82 82 GLU CA C 13 55.859 0.091 . . . . . . 82 GLU CA . 7091 1 267 . 1 1 82 82 GLU CB C 13 29.376 0.000 . . . . . . 82 GLU CB . 7091 1 268 . 1 1 82 82 GLU N N 15 124.034 0.000 . . . . . . 82 GLU N . 7091 1 269 . 1 1 83 83 VAL H H 1 8.940 0.000 . . . . . . 83 VAL H . 7091 1 270 . 1 1 83 83 VAL CA C 13 58.735 0.052 . . . . . . 83 VAL CA . 7091 1 271 . 1 1 83 83 VAL N N 15 121.631 0.000 . . . . . . 83 VAL N . 7091 1 272 . 1 1 84 84 LEU H H 1 9.022 0.000 . . . . . . 84 LEU H . 7091 1 273 . 1 1 84 84 LEU CA C 13 52.008 0.091 . . . . . . 84 LEU CA . 7091 1 274 . 1 1 84 84 LEU N N 15 120.121 0.000 . . . . . . 84 LEU N . 7091 1 275 . 1 1 85 85 ILE H H 1 9.083 0.000 . . . . . . 85 ILE H . 7091 1 276 . 1 1 85 85 ILE CA C 13 59.925 0.007 . . . . . . 85 ILE CA . 7091 1 277 . 1 1 85 85 ILE N N 15 121.018 0.000 . . . . . . 85 ILE N . 7091 1 278 . 1 1 86 86 MET H H 1 8.672 0.000 . . . . . . 86 MET H . 7091 1 279 . 1 1 86 86 MET CA C 13 53.050 0.092 . . . . . . 86 MET CA . 7091 1 280 . 1 1 86 86 MET N N 15 124.326 0.000 . . . . . . 86 MET N . 7091 1 281 . 1 1 87 87 SER H H 1 9.380 0.000 . . . . . . 87 SER H . 7091 1 282 . 1 1 87 87 SER CA C 13 57.668 0.000 . . . . . . 87 SER CA . 7091 1 283 . 1 1 87 87 SER N N 15 116.414 0.000 . . . . . . 87 SER N . 7091 1 284 . 1 1 88 88 GLU H H 1 8.769 0.000 . . . . . . 88 GLU H . 7091 1 285 . 1 1 88 88 GLU CA C 13 59.203 0.000 . . . . . . 88 GLU CA . 7091 1 286 . 1 1 88 88 GLU N N 15 126.840 0.000 . . . . . . 88 GLU N . 7091 1 287 . 1 1 89 89 SER H H 1 8.277 0.000 . . . . . . 89 SER H . 7091 1 288 . 1 1 89 89 SER CA C 13 60.374 0.000 . . . . . . 89 SER CA . 7091 1 289 . 1 1 89 89 SER N N 15 111.459 0.000 . . . . . . 89 SER N . 7091 1 290 . 1 1 90 90 ASP H H 1 7.750 0.000 . . . . . . 90 ASP H . 7091 1 291 . 1 1 90 90 ASP CA C 13 55.222 0.000 . . . . . . 90 ASP CA . 7091 1 292 . 1 1 90 90 ASP N N 15 120.207 0.000 . . . . . . 90 ASP N . 7091 1 293 . 1 1 92 92 LEU H H 1 8.859 0.000 . . . . . . 92 LEU H . 7091 1 294 . 1 1 92 92 LEU CA C 13 55.490 0.008 . . . . . . 92 LEU CA . 7091 1 295 . 1 1 92 92 LEU N N 15 125.384 0.000 . . . . . . 92 LEU N . 7091 1 296 . 1 1 93 93 ALA H H 1 7.448 0.000 . . . . . . 93 ALA H . 7091 1 297 . 1 1 93 93 ALA CA C 13 50.252 0.000 . . . . . . 93 ALA CA . 7091 1 298 . 1 1 93 93 ALA N N 15 115.234 0.000 . . . . . . 93 ALA N . 7091 1 299 . 1 1 94 94 ILE H H 1 8.640 0.000 . . . . . . 94 ILE H . 7091 1 300 . 1 1 94 94 ILE CA C 13 59.177 0.000 . . . . . . 94 ILE CA . 7091 1 301 . 1 1 94 94 ILE N N 15 121.234 0.000 . . . . . . 94 ILE N . 7091 1 302 . 1 1 95 95 VAL H H 1 8.998 0.000 . . . . . . 95 VAL H . 7091 1 303 . 1 1 95 95 VAL CA C 13 61.103 0.000 . . . . . . 95 VAL CA . 7091 1 304 . 1 1 95 95 VAL CB C 13 30.768 0.000 . . . . . . 95 VAL CB . 7091 1 305 . 1 1 95 95 VAL N N 15 127.531 0.000 . . . . . . 95 VAL N . 7091 1 306 . 1 1 96 96 GLU H H 1 8.530 0.000 . . . . . . 96 GLU H . 7091 1 307 . 1 1 96 96 GLU CA C 13 55.131 0.013 . . . . . . 96 GLU CA . 7091 1 308 . 1 1 96 96 GLU CB C 13 29.888 0.028 . . . . . . 96 GLU CB . 7091 1 309 . 1 1 96 96 GLU N N 15 128.465 0.000 . . . . . . 96 GLU N . 7091 1 310 . 1 1 97 97 ALA H H 1 8.024 0.000 . . . . . . 97 ALA H . 7091 1 311 . 1 1 97 97 ALA CA C 13 53.530 0.000 . . . . . . 97 ALA CA . 7091 1 312 . 1 1 97 97 ALA CB C 13 18.943 0.000 . . . . . . 97 ALA CB . 7091 1 313 . 1 1 97 97 ALA N N 15 130.481 0.000 . . . . . . 97 ALA N . 7091 1 stop_ save_