data_7316 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7316 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Structural characteristation of the folding intermediate of the colicin inhibitor protein Im7.' 'structural and dynamic analysis' 'The data from the entries that make up this study were used to characterise the conformational properties of the trapped on-pathway folding intermediate of bacterial immunity protein Im7.' 7316 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'conformational properties' 7316 1 . intermediate 7316 1 . NMR 7316 1 . 'protein folding' 7316 1 . SAXS 7316 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7316 _Entry.Title ; Backbone 1HN, 15N, and 13C Chemical Shift Assignments for wt Im7* (* denotes his-tag) and its variants, Im7*L53AI54A and Im7*YY ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-10-17 _Entry.Accession_date 2006-10-17 _Entry.Last_release_date 2007-05-04 _Entry.Original_release_date 2007-05-04 _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 'The variants of wt Im7* (L53AI54A and YY) show biochemical and biophysical properties resembling the kinetic protein folding intermediate of wt Im7*. These variants have therefore been studied by NMR to obtain structural and dynamic information of the protein folding intermediate. This entry consists of backbone 1HN, 15N and 13C chemical shifts of the three proteins.' _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 Sara Whittaker . B.-M. . 7316 2 Graham Spence . R. . 7316 3 Guenter Grossmann . J. . 7316 4 Sheena Radford . E. . 7316 5 Geoffrey Moore . R. . 7316 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7316 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 7316 '15N chemical shifts' 80 7316 '1H chemical shifts' 80 7316 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-05-04 2006-10-17 original author . 7316 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 7317 L53AI54A_variant_of_Im7* 7316 . 7318 YY_variant_of_Im7* 7316 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7316 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17188712 _Citation.Full_citation . _Citation.Title ; NMR analysis of the conformational properties of the trapped on-pathway folding intermediate of the bacterial immunity protein Im7. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 366 _Citation.Journal_issue 3 _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 1001 _Citation.Page_last 1015 _Citation.Year 2007 _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 Sara Whittaker . B.-M. . 7316 1 2 Graham Spence . R. . 7316 1 3 Guenter Grossmann . J. . 7316 1 4 Sheena Radford . E. . 7316 1 5 Geoffrey Moore . R. . 7316 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Im7 7316 1 intermediate 7316 1 NMR 7316 1 'partially folded' 7316 1 'Protein folding' 7316 1 SAXS 7316 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7316 _Assembly.ID 1 _Assembly.Name Monomer _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7316 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 Monomer 1 $colicin_E7_inhibitor_polypeptide . . yes native no yes . . . 7316 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Inhibitor protein of the endonuclease Colicin E7.' 7316 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_colicin_E7_inhibitor_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode colicin_E7_inhibitor_polypeptide _Entity.Entry_ID 7316 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Im7* _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details Monomer _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEHHHHHHELKNSISDYTEA EFVQLLKEIEKENVAATDDV LDVLLEHFVKITEHPDGTDL IYYPSDNRDDSPEGIVKEIK EWRAANGKPGFKQG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; M E H H H H H H 2,E 3,L 4,K 5,N ; _Entity.Polymer_author_seq_details ; The sequence of Im7* contains an N-terminal His-tag (denoted by *). Residue numbering starts at residue 2 of wt Im7 (no his-tag). ; _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 7188 . Im7 . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 2 no BMRB 7317 . L53AI54A_variant_of_Im7* . . . . . 100.00 94 97.87 97.87 9.00e-60 . . . . 7316 1 3 no PDB 1AYI . "Colicin E7 Immunity Protein Im7" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 4 no PDB 1CEI . "Structure Determination Of The Colicin E7 Immunity Protein (Imme7) That Binds Specifically To The Dnase-Type Colicin E7 And Inh" . . . . . 91.49 94 100.00 100.00 1.49e-54 . . . . 7316 1 5 no PDB 1MZ8 . "Crystal Structures Of The Nuclease Domain Of Cole7IM7 IN Complex With A Phosphate Ion And A Zinc Ion" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 6 no PDB 1UJZ . "Crystal Structure Of The E7_cIM7_C COMPLEX; A Computationally Designed Interface Between The Colicin E7 Dnase And The Im7 Immun" . . . . . 91.49 87 98.84 98.84 2.11e-53 . . . . 7316 1 7 no PDB 1UNK . "Structure Of Colicin E7 Immunity Protein" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 8 no PDB 1ZNV . "How A His-Metal Finger Endonuclease Cole7 Binds And Cleaves Dna With A Transition Metal Ion Cofactor" . . . . . 91.49 93 100.00 100.00 3.43e-54 . . . . 7316 1 9 no PDB 2ERH . "Crystal Structure Of The E7_gIM7_G COMPLEX; A DESIGNED Interface Between The Colicin E7 Dnase And The Im7 Immunity Protein" . . . . . 91.49 87 97.67 97.67 1.48e-52 . . . . 7316 1 10 no PDB 2JAZ . "Crystal Structure Of The Mutant N560d Of The Nuclease Domain Of Cole7 In Complex With Im7" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 11 no PDB 2JB0 . "Crystal Structure Of The Mutant H573a Of The Nuclease Domain Of Cole7 In Complex With Im7" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 12 no PDB 2JBG . "Crystal Structure Of The Mutant N560a Of The Nuclease Domain Of Cole7 In Complex With Im7" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 13 no PDB 7CEI . "The Endonuclease Domain Of Colicin E7 In Complex With Its Inhibitor Im7 Protein" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 14 no EMBL CAA45165 . "immunity protein [Escherichia coli]" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 15 no EMBL CDK50318 . "Colicin immunity protein/pyocin immunity protein [Escherichia coli IS5]" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 16 no GB AAA23071 . "immunity protein [Plasmid ColE7]" . . . . . 91.49 87 97.67 98.84 6.34e-53 . . . . 7316 1 17 no GB AIC79148 . "colicin E7 immunity protein [Escherichia coli]" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 18 no GB ELE46623 . "colicin-E7 immunity protein [Escherichia coli KTE72]" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 19 no GB EOW15734 . "colicin-E7 immunity protein [Escherichia coli KTE107]" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 20 no GB EQR11492 . "colicin-E7 immunity protein [Escherichia coli HVH 118 (4-7345399)]" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 21 no REF WP_001560791 . "colicin-E7 immunity protein [Escherichia coli]" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 22 no REF WP_032277812 . "colicin transporter, partial [Escherichia coli]" . . . . . 55.32 53 100.00 100.00 3.06e-26 . . . . 7316 1 23 no REF YP_009060494 . "colicin E7 immunity protein [Escherichia coli]" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 24 no SP Q03708 . "RecName: Full=Colicin-E7 immunity protein; AltName: Full=ImmE7; AltName: Full=Microcin-E7 immunity protein [Escherichia coli]" . . . . . 91.49 87 100.00 100.00 1.06e-54 . . . . 7316 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Dnase inhibitor' 7316 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Dnase inhibitor' . 7316 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 -8 MET . 7316 1 2 -7 GLU . 7316 1 3 -6 HIS . 7316 1 4 -5 HIS . 7316 1 5 -4 HIS . 7316 1 6 -3 HIS . 7316 1 7 -2 HIS . 7316 1 8 -1 HIS . 7316 1 9 2 GLU . 7316 1 10 3 LEU . 7316 1 11 4 LYS . 7316 1 12 5 ASN . 7316 1 13 6 SER . 7316 1 14 7 ILE . 7316 1 15 8 SER . 7316 1 16 9 ASP . 7316 1 17 10 TYR . 7316 1 18 11 THR . 7316 1 19 12 GLU . 7316 1 20 13 ALA . 7316 1 21 14 GLU . 7316 1 22 15 PHE . 7316 1 23 16 VAL . 7316 1 24 17 GLN . 7316 1 25 18 LEU . 7316 1 26 19 LEU . 7316 1 27 20 LYS . 7316 1 28 21 GLU . 7316 1 29 22 ILE . 7316 1 30 23 GLU . 7316 1 31 24 LYS . 7316 1 32 25 GLU . 7316 1 33 26 ASN . 7316 1 34 27 VAL . 7316 1 35 28 ALA . 7316 1 36 29 ALA . 7316 1 37 30 THR . 7316 1 38 31 ASP . 7316 1 39 32 ASP . 7316 1 40 33 VAL . 7316 1 41 34 LEU . 7316 1 42 35 ASP . 7316 1 43 36 VAL . 7316 1 44 37 LEU . 7316 1 45 38 LEU . 7316 1 46 39 GLU . 7316 1 47 40 HIS . 7316 1 48 41 PHE . 7316 1 49 42 VAL . 7316 1 50 43 LYS . 7316 1 51 44 ILE . 7316 1 52 45 THR . 7316 1 53 46 GLU . 7316 1 54 47 HIS . 7316 1 55 48 PRO . 7316 1 56 49 ASP . 7316 1 57 50 GLY . 7316 1 58 51 THR . 7316 1 59 52 ASP . 7316 1 60 53 LEU . 7316 1 61 54 ILE . 7316 1 62 55 TYR . 7316 1 63 56 TYR . 7316 1 64 57 PRO . 7316 1 65 58 SER . 7316 1 66 59 ASP . 7316 1 67 60 ASN . 7316 1 68 61 ARG . 7316 1 69 62 ASP . 7316 1 70 63 ASP . 7316 1 71 64 SER . 7316 1 72 65 PRO . 7316 1 73 66 GLU . 7316 1 74 67 GLY . 7316 1 75 68 ILE . 7316 1 76 69 VAL . 7316 1 77 70 LYS . 7316 1 78 71 GLU . 7316 1 79 72 ILE . 7316 1 80 73 LYS . 7316 1 81 74 GLU . 7316 1 82 75 TRP . 7316 1 83 76 ARG . 7316 1 84 77 ALA . 7316 1 85 78 ALA . 7316 1 86 79 ASN . 7316 1 87 80 GLY . 7316 1 88 81 LYS . 7316 1 89 82 PRO . 7316 1 90 83 GLY . 7316 1 91 84 PHE . 7316 1 92 85 LYS . 7316 1 93 86 GLN . 7316 1 94 87 GLY . 7316 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 7316 1 . GLU 2 2 7316 1 . HIS 3 3 7316 1 . HIS 4 4 7316 1 . HIS 5 5 7316 1 . HIS 6 6 7316 1 . HIS 7 7 7316 1 . HIS 8 8 7316 1 . GLU 9 9 7316 1 . LEU 10 10 7316 1 . LYS 11 11 7316 1 . ASN 12 12 7316 1 . SER 13 13 7316 1 . ILE 14 14 7316 1 . SER 15 15 7316 1 . ASP 16 16 7316 1 . TYR 17 17 7316 1 . THR 18 18 7316 1 . GLU 19 19 7316 1 . ALA 20 20 7316 1 . GLU 21 21 7316 1 . PHE 22 22 7316 1 . VAL 23 23 7316 1 . GLN 24 24 7316 1 . LEU 25 25 7316 1 . LEU 26 26 7316 1 . LYS 27 27 7316 1 . GLU 28 28 7316 1 . ILE 29 29 7316 1 . GLU 30 30 7316 1 . LYS 31 31 7316 1 . GLU 32 32 7316 1 . ASN 33 33 7316 1 . VAL 34 34 7316 1 . ALA 35 35 7316 1 . ALA 36 36 7316 1 . THR 37 37 7316 1 . ASP 38 38 7316 1 . ASP 39 39 7316 1 . VAL 40 40 7316 1 . LEU 41 41 7316 1 . ASP 42 42 7316 1 . VAL 43 43 7316 1 . LEU 44 44 7316 1 . LEU 45 45 7316 1 . GLU 46 46 7316 1 . HIS 47 47 7316 1 . PHE 48 48 7316 1 . VAL 49 49 7316 1 . LYS 50 50 7316 1 . ILE 51 51 7316 1 . THR 52 52 7316 1 . GLU 53 53 7316 1 . HIS 54 54 7316 1 . PRO 55 55 7316 1 . ASP 56 56 7316 1 . GLY 57 57 7316 1 . THR 58 58 7316 1 . ASP 59 59 7316 1 . LEU 60 60 7316 1 . ILE 61 61 7316 1 . TYR 62 62 7316 1 . TYR 63 63 7316 1 . PRO 64 64 7316 1 . SER 65 65 7316 1 . ASP 66 66 7316 1 . ASN 67 67 7316 1 . ARG 68 68 7316 1 . ASP 69 69 7316 1 . ASP 70 70 7316 1 . SER 71 71 7316 1 . PRO 72 72 7316 1 . GLU 73 73 7316 1 . GLY 74 74 7316 1 . ILE 75 75 7316 1 . VAL 76 76 7316 1 . LYS 77 77 7316 1 . GLU 78 78 7316 1 . ILE 79 79 7316 1 . LYS 80 80 7316 1 . GLU 81 81 7316 1 . TRP 82 82 7316 1 . ARG 83 83 7316 1 . ALA 84 84 7316 1 . ALA 85 85 7316 1 . ASN 86 86 7316 1 . GLY 87 87 7316 1 . LYS 88 88 7316 1 . PRO 89 89 7316 1 . GLY 90 90 7316 1 . PHE 91 91 7316 1 . LYS 92 92 7316 1 . GLN 93 93 7316 1 . GLY 94 94 7316 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 7316 _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 $colicin_E7_inhibitor_polypeptide . 562 organism no . 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 7316 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 7316 _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 $colicin_E7_inhibitor_polypeptide . 'recombinant technology' . 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7316 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7316 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'doubly-labelled (13C/15N) Im7* sample for backbone resonance assignments.' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Im7* '[U-13C; U-15N]' . . 1 $colicin_E7_inhibitor_polypeptide . protein 1 . . mM 0.2 . . . 7316 1 2 'potassium phosphate buffer' . . . . . . . 50 . . mM . . . . 7316 1 3 'sodium sulphate' . . . . . . . 400 . . mM . . . . 7316 1 4 H2O . . . . . . . 90 . . % . . . . 7316 1 5 D2O . . . . . . . 10 . . % . . . . 7316 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7316 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'singly-labelled (15N) Im7* sample for relaxation data measurement.' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Im7* '[U-99% 15N]' . . 1 $colicin_E7_inhibitor_polypeptide . protein 1 . . mM 0.2 . . . 7316 2 2 'potassium phosphate buffer' . . . . . . . 50 . . mM . . . . 7316 2 3 'sodium sulphate' . . . . . . . 400 . . mM . . . . 7316 2 4 H2O . . . . . . . 90 . . % . . . . 7316 2 5 D2O . . . . . . . 10 . . % . . . . 7316 2 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 7316 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Used for all NMR experiments.' 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 7 0.2 pH 7316 1 temperature 298 0.1 K 7316 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7316 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 7316 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data acquisition' 7316 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 7316 _Software.ID 2 _Software.Name NMRView _Software.Version 5.1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 7316 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 7316 2 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 7316 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7316 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 7316 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 7316 _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 '1H15N HSQC' no . . . . . . . . . . 4 $All_samples . . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7316 1 2 HNCO no . . . . . . . . . . 4 $Samples_1_and_3_and_5 . . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7316 1 3 HNCA no . . . . . . . . . . 4 $Samples_3_and_5 . . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7316 1 4 HNCOCA no . . . . . . . . . . 4 $Samples_3_and_5_again . . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7316 1 5 CBCACONH no . . . . . . . . . . 4 $Samples_3_and_5_again2 . . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7316 1 6 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7316 1 7 '1H-1H-15N NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7316 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 7316 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H chemical shifts referenced directly against external DSS; 15N and 13C referenced indirectly to DSS using absolute frequency ratios at 298K.' 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 . . . 1 $citation_1 . . 1 $citation_1 7316 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $citation_1 . . 1 $citation_1 7316 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 7316 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_Im7*_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Im7*_chemical_shifts _Assigned_chem_shift_list.Entry_ID 7316 _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 'Backbone HN, N and C chemical shifts.' _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 1H15N_HSQC 1 $sample_1 isotropic 7316 1 2 HNCO 1 $sample_1 isotropic 7316 1 6 HNCACB 1 $sample_1 isotropic 7316 1 7 1H-1H-15N_NOESY-HSQC 2 $sample_2 isotropic 7316 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 2 $NMRView . $SmartNoteBook 7316 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 9 9 GLU C C 13 175.954 0.2 . 1 . . . . 2 GLU C . 7316 1 2 . 1 1 9 9 GLU CA C 13 56.604 0.2 . 1 . . . . 2 GLU CA . 7316 1 3 . 1 1 9 9 GLU CB C 13 29.911 0.2 . 1 . . . . 2 GLU CB . 7316 1 4 . 1 1 10 10 LEU H H 1 8.096 0.01 . 1 . . . . 3 LEU HN . 7316 1 5 . 1 1 10 10 LEU C C 13 176.953 0.2 . 1 . . . . 3 LEU C . 7316 1 6 . 1 1 10 10 LEU CA C 13 54.785 0.2 . 1 . . . . 3 LEU CA . 7316 1 7 . 1 1 10 10 LEU CB C 13 41.244 0.2 . 1 . . . . 3 LEU CB . 7316 1 8 . 1 1 10 10 LEU N N 15 123.506 0.1 . 1 . . . . 3 LEU N . 7316 1 9 . 1 1 11 11 LYS H H 1 7.694 0.01 . 1 . . . . 4 LYS HN . 7316 1 10 . 1 1 11 11 LYS C C 13 176.204 0.2 . 1 . . . . 4 LYS C . 7316 1 11 . 1 1 11 11 LYS CA C 13 55.841 0.2 . 1 . . . . 4 LYS CA . 7316 1 12 . 1 1 11 11 LYS CB C 13 33.562 0.2 . 1 . . . . 4 LYS CB . 7316 1 13 . 1 1 11 11 LYS N N 15 122.331 0.1 . 1 . . . . 4 LYS N . 7316 1 14 . 1 1 12 12 ASN H H 1 8.542 0.01 . 1 . . . . 5 ASN HN . 7316 1 15 . 1 1 12 12 ASN C C 13 174.968 0.2 . 1 . . . . 5 ASN C . 7316 1 16 . 1 1 12 12 ASN CA C 13 55.758 0.2 . 1 . . . . 5 ASN CA . 7316 1 17 . 1 1 12 12 ASN CB C 13 40.510 0.2 . 1 . . . . 5 ASN CB . 7316 1 18 . 1 1 12 12 ASN N N 15 116.676 0.1 . 1 . . . . 5 ASN N . 7316 1 19 . 1 1 13 13 SER H H 1 8.143 0.01 . 1 . . . . 6 SER HN . 7316 1 20 . 1 1 13 13 SER C C 13 175.148 0.2 . 1 . . . . 6 SER C . 7316 1 21 . 1 1 13 13 SER CA C 13 56.788 0.2 . 1 . . . . 6 SER CA . 7316 1 22 . 1 1 13 13 SER CB C 13 65.970 0.2 . 1 . . . . 6 SER CB . 7316 1 23 . 1 1 13 13 SER N N 15 112.236 0.1 . 1 . . . . 6 SER N . 7316 1 24 . 1 1 14 14 ILE H H 1 9.336 0.01 . 1 . . . . 7 ILE HN . 7316 1 25 . 1 1 14 14 ILE C C 13 175.514 0.2 . 1 . . . . 7 ILE C . 7316 1 26 . 1 1 14 14 ILE CA C 13 64.947 0.2 . 1 . . . . 7 ILE CA . 7316 1 27 . 1 1 14 14 ILE CB C 13 37.109 0.2 . 1 . . . . 7 ILE CB . 7316 1 28 . 1 1 14 14 ILE N N 15 126.322 0.1 . 1 . . . . 7 ILE N . 7316 1 29 . 1 1 15 15 SER H H 1 7.499 0.01 . 1 . . . . 8 SER HN . 7316 1 30 . 1 1 15 15 SER C C 13 174.307 0.2 . 1 . . . . 8 SER C . 7316 1 31 . 1 1 15 15 SER CA C 13 59.486 0.2 . 1 . . . . 8 SER CA . 7316 1 32 . 1 1 15 15 SER CB C 13 63.272 0.2 . 1 . . . . 8 SER CB . 7316 1 33 . 1 1 15 15 SER N N 15 112.560 0.1 . 1 . . . . 8 SER N . 7316 1 34 . 1 1 16 16 ASP H H 1 7.797 0.01 . 1 . . . . 9 ASP HN . 7316 1 35 . 1 1 16 16 ASP C C 13 176.015 0.2 . 1 . . . . 9 ASP C . 7316 1 36 . 1 1 16 16 ASP CA C 13 55.224 0.2 . 1 . . . . 9 ASP CA . 7316 1 37 . 1 1 16 16 ASP CB C 13 43.277 0.2 . 1 . . . . 9 ASP CB . 7316 1 38 . 1 1 16 16 ASP N N 15 118.003 0.1 . 1 . . . . 9 ASP N . 7316 1 39 . 1 1 17 17 TYR H H 1 8.291 0.01 . 1 . . . . 10 TYR HN . 7316 1 40 . 1 1 17 17 TYR C C 13 177.512 0.2 . 1 . . . . 10 TYR C . 7316 1 41 . 1 1 17 17 TYR CA C 13 58.612 0.2 . 1 . . . . 10 TYR CA . 7316 1 42 . 1 1 17 17 TYR CB C 13 41.144 0.2 . 1 . . . . 10 TYR CB . 7316 1 43 . 1 1 17 17 TYR N N 15 120.697 0.1 . 1 . . . . 10 TYR N . 7316 1 44 . 1 1 18 18 THR H H 1 8.809 0.01 . 1 . . . . 11 THR HN . 7316 1 45 . 1 1 18 18 THR C C 13 176.191 0.2 . 1 . . . . 11 THR C . 7316 1 46 . 1 1 18 18 THR CA C 13 60.817 0.2 . 1 . . . . 11 THR CA . 7316 1 47 . 1 1 18 18 THR CB C 13 71.059 0.2 . 1 . . . . 11 THR CB . 7316 1 48 . 1 1 18 18 THR N N 15 112.249 0.1 . 1 . . . . 11 THR N . 7316 1 49 . 1 1 19 19 GLU H H 1 9.177 0.01 . 1 . . . . 12 GLU HN . 7316 1 50 . 1 1 19 19 GLU C C 13 178.445 0.2 . 1 . . . . 12 GLU C . 7316 1 51 . 1 1 19 19 GLU CA C 13 60.890 0.2 . 1 . . . . 12 GLU CA . 7316 1 52 . 1 1 19 19 GLU CB C 13 29.458 0.2 . 1 . . . . 12 GLU CB . 7316 1 53 . 1 1 19 19 GLU N N 15 122.255 0.1 . 1 . . . . 12 GLU N . 7316 1 54 . 1 1 20 20 ALA H H 1 8.350 0.01 . 1 . . . . 13 ALA HN . 7316 1 55 . 1 1 20 20 ALA C C 13 181.835 0.2 . 1 . . . . 13 ALA C . 7316 1 56 . 1 1 20 20 ALA CA C 13 55.389 0.2 . 1 . . . . 13 ALA CA . 7316 1 57 . 1 1 20 20 ALA CB C 13 18.427 0.2 . 1 . . . . 13 ALA CB . 7316 1 58 . 1 1 20 20 ALA N N 15 118.781 0.1 . 1 . . . . 13 ALA N . 7316 1 59 . 1 1 21 21 GLU H H 1 8.030 0.01 . 1 . . . . 14 GLU HN . 7316 1 60 . 1 1 21 21 GLU C C 13 179.623 0.2 . 1 . . . . 14 GLU C . 7316 1 61 . 1 1 21 21 GLU CA C 13 58.937 0.2 . 1 . . . . 14 GLU CA . 7316 1 62 . 1 1 21 21 GLU CB C 13 31.660 0.2 . 1 . . . . 14 GLU CB . 7316 1 63 . 1 1 21 21 GLU N N 15 119.109 0.1 . 1 . . . . 14 GLU N . 7316 1 64 . 1 1 22 22 PHE H H 1 8.639 0.01 . 1 . . . . 15 PHE HN . 7316 1 65 . 1 1 22 22 PHE C C 13 177.528 0.2 . 1 . . . . 15 PHE C . 7316 1 66 . 1 1 22 22 PHE CA C 13 62.234 0.2 . 1 . . . . 15 PHE CA . 7316 1 67 . 1 1 22 22 PHE CB C 13 40.526 0.2 . 1 . . . . 15 PHE CB . 7316 1 68 . 1 1 22 22 PHE N N 15 124.944 0.1 . 1 . . . . 15 PHE N . 7316 1 69 . 1 1 23 23 VAL H H 1 8.658 0.01 . 1 . . . . 16 VAL HN . 7316 1 70 . 1 1 23 23 VAL C C 13 177.895 0.2 . 1 . . . . 16 VAL C . 7316 1 71 . 1 1 23 23 VAL CA C 13 67.894 0.2 . 1 . . . . 16 VAL CA . 7316 1 72 . 1 1 23 23 VAL CB C 13 31.590 0.2 . 1 . . . . 16 VAL CB . 7316 1 73 . 1 1 23 23 VAL N N 15 119.945 0.1 . 1 . . . . 16 VAL N . 7316 1 74 . 1 1 24 24 GLN H H 1 7.586 0.01 . 1 . . . . 17 GLN HN . 7316 1 75 . 1 1 24 24 GLN C C 13 178.352 0.2 . 1 . . . . 17 GLN C . 7316 1 76 . 1 1 24 24 GLN CA C 13 59.323 0.2 . 1 . . . . 17 GLN CA . 7316 1 77 . 1 1 24 24 GLN CB C 13 27.816 0.2 . 1 . . . . 17 GLN CB . 7316 1 78 . 1 1 24 24 GLN N N 15 117.802 0.1 . 1 . . . . 17 GLN N . 7316 1 79 . 1 1 25 25 LEU H H 1 7.503 0.01 . 1 . . . . 18 LEU HN . 7316 1 80 . 1 1 25 25 LEU C C 13 178.464 0.2 . 1 . . . . 18 LEU C . 7316 1 81 . 1 1 25 25 LEU CA C 13 58.644 0.2 . 1 . . . . 18 LEU CA . 7316 1 82 . 1 1 25 25 LEU CB C 13 40.533 0.2 . 1 . . . . 18 LEU CB . 7316 1 83 . 1 1 25 25 LEU N N 15 122.243 0.1 . 1 . . . . 18 LEU N . 7316 1 84 . 1 1 26 26 LEU H H 1 7.745 0.01 . 1 . . . . 19 LEU HN . 7316 1 85 . 1 1 26 26 LEU C C 13 180.136 0.2 . 1 . . . . 19 LEU C . 7316 1 86 . 1 1 26 26 LEU CA C 13 57.875 0.2 . 1 . . . . 19 LEU CA . 7316 1 87 . 1 1 26 26 LEU CB C 13 40.937 0.2 . 1 . . . . 19 LEU CB . 7316 1 88 . 1 1 26 26 LEU N N 15 118.942 0.1 . 1 . . . . 19 LEU N . 7316 1 89 . 1 1 27 27 LYS H H 1 8.392 0.01 . 1 . . . . 20 LYS HN . 7316 1 90 . 1 1 27 27 LYS C C 13 179.575 0.2 . 1 . . . . 20 LYS C . 7316 1 91 . 1 1 27 27 LYS CA C 13 59.604 0.2 . 1 . . . . 20 LYS CA . 7316 1 92 . 1 1 27 27 LYS CB C 13 31.914 0.2 . 1 . . . . 20 LYS CB . 7316 1 93 . 1 1 27 27 LYS N N 15 120.914 0.1 . 1 . . . . 20 LYS N . 7316 1 94 . 1 1 28 28 GLU H H 1 8.145 0.01 . 1 . . . . 21 GLU HN . 7316 1 95 . 1 1 28 28 GLU C C 13 179.161 0.2 . 1 . . . . 21 GLU C . 7316 1 96 . 1 1 28 28 GLU CA C 13 59.517 0.2 . 1 . . . . 21 GLU CA . 7316 1 97 . 1 1 28 28 GLU CB C 13 29.050 0.2 . 1 . . . . 21 GLU CB . 7316 1 98 . 1 1 28 28 GLU N N 15 122.826 0.1 . 1 . . . . 21 GLU N . 7316 1 99 . 1 1 29 29 ILE H H 1 8.048 0.01 . 1 . . . . 22 ILE HN . 7316 1 100 . 1 1 29 29 ILE C C 13 177.129 0.2 . 1 . . . . 22 ILE C . 7316 1 101 . 1 1 29 29 ILE CA C 13 66.517 0.2 . 1 . . . . 22 ILE CA . 7316 1 102 . 1 1 29 29 ILE CB C 13 38.066 0.2 . 1 . . . . 22 ILE CB . 7316 1 103 . 1 1 29 29 ILE N N 15 120.644 0.1 . 1 . . . . 22 ILE N . 7316 1 104 . 1 1 30 30 GLU H H 1 7.798 0.01 . 1 . . . . 23 GLU HN . 7316 1 105 . 1 1 30 30 GLU C C 13 179.208 0.2 . 1 . . . . 23 GLU C . 7316 1 106 . 1 1 30 30 GLU CA C 13 59.391 0.2 . 1 . . . . 23 GLU CA . 7316 1 107 . 1 1 30 30 GLU CB C 13 29.796 0.2 . 1 . . . . 23 GLU CB . 7316 1 108 . 1 1 30 30 GLU N N 15 118.955 0.1 . 1 . . . . 23 GLU N . 7316 1 109 . 1 1 31 31 LYS H H 1 7.677 0.01 . 1 . . . . 24 LYS HN . 7316 1 110 . 1 1 31 31 LYS C C 13 179.485 0.2 . 1 . . . . 24 LYS C . 7316 1 111 . 1 1 31 31 LYS CA C 13 59.260 0.2 . 1 . . . . 24 LYS CA . 7316 1 112 . 1 1 31 31 LYS CB C 13 32.687 0.2 . 1 . . . . 24 LYS CB . 7316 1 113 . 1 1 31 31 LYS N N 15 119.147 0.1 . 1 . . . . 24 LYS N . 7316 1 114 . 1 1 32 32 GLU H H 1 8.237 0.01 . 1 . . . . 25 GLU HN . 7316 1 115 . 1 1 32 32 GLU C C 13 178.133 0.2 . 1 . . . . 25 GLU C . 7316 1 116 . 1 1 32 32 GLU CA C 13 57.513 0.2 . 1 . . . . 25 GLU CA . 7316 1 117 . 1 1 32 32 GLU CB C 13 29.436 0.2 . 1 . . . . 25 GLU CB . 7316 1 118 . 1 1 32 32 GLU N N 15 118.919 0.1 . 1 . . . . 25 GLU N . 7316 1 119 . 1 1 33 33 ASN H H 1 8.394 0.01 . 1 . . . . 26 ASN HN . 7316 1 120 . 1 1 33 33 ASN C C 13 176.744 0.2 . 1 . . . . 26 ASN C . 7316 1 121 . 1 1 33 33 ASN CA C 13 55.696 0.2 . 1 . . . . 26 ASN CA . 7316 1 122 . 1 1 33 33 ASN CB C 13 39.242 0.2 . 1 . . . . 26 ASN CB . 7316 1 123 . 1 1 33 33 ASN N N 15 118.706 0.1 . 1 . . . . 26 ASN N . 7316 1 124 . 1 1 34 34 VAL H H 1 7.343 0.01 . 1 . . . . 27 VAL HN . 7316 1 125 . 1 1 34 34 VAL C C 13 176.259 0.2 . 1 . . . . 27 VAL C . 7316 1 126 . 1 1 34 34 VAL CA C 13 62.284 0.2 . 1 . . . . 27 VAL CA . 7316 1 127 . 1 1 34 34 VAL CB C 13 31.915 0.2 . 1 . . . . 27 VAL CB . 7316 1 128 . 1 1 34 34 VAL N N 15 112.963 0.1 . 1 . . . . 27 VAL N . 7316 1 129 . 1 1 35 35 ALA H H 1 7.541 0.01 . 1 . . . . 28 ALA HN . 7316 1 130 . 1 1 35 35 ALA C C 13 177.291 0.2 . 1 . . . . 28 ALA C . 7316 1 131 . 1 1 35 35 ALA CA C 13 52.683 0.2 . 1 . . . . 28 ALA CA . 7316 1 132 . 1 1 35 35 ALA CB C 13 20.138 0.2 . 1 . . . . 28 ALA CB . 7316 1 133 . 1 1 35 35 ALA N N 15 124.454 0.1 . 1 . . . . 28 ALA N . 7316 1 134 . 1 1 36 36 ALA H H 1 8.447 0.01 . 1 . . . . 29 ALA HN . 7316 1 135 . 1 1 36 36 ALA C C 13 178.102 0.2 . 1 . . . . 29 ALA C . 7316 1 136 . 1 1 36 36 ALA CA C 13 53.922 0.2 . 1 . . . . 29 ALA CA . 7316 1 137 . 1 1 36 36 ALA CB C 13 19.263 0.2 . 1 . . . . 29 ALA CB . 7316 1 138 . 1 1 36 36 ALA N N 15 121.744 0.1 . 1 . . . . 29 ALA N . 7316 1 139 . 1 1 37 37 THR H H 1 8.016 0.01 . 1 . . . . 30 THR HN . 7316 1 140 . 1 1 37 37 THR C C 13 174.692 0.2 . 1 . . . . 30 THR C . 7316 1 141 . 1 1 37 37 THR CA C 13 60.418 0.2 . 1 . . . . 30 THR CA . 7316 1 142 . 1 1 37 37 THR CB C 13 70.635 0.2 . 1 . . . . 30 THR CB . 7316 1 143 . 1 1 37 37 THR N N 15 109.500 0.1 . 1 . . . . 30 THR N . 7316 1 144 . 1 1 38 38 ASP H H 1 8.501 0.01 . 1 . . . . 31 ASP HN . 7316 1 145 . 1 1 38 38 ASP C C 13 175.975 0.2 . 1 . . . . 31 ASP C . 7316 1 146 . 1 1 38 38 ASP CA C 13 54.562 0.2 . 1 . . . . 31 ASP CA . 7316 1 147 . 1 1 38 38 ASP CB C 13 41.255 0.2 . 1 . . . . 31 ASP CB . 7316 1 148 . 1 1 38 38 ASP N N 15 121.759 0.1 . 1 . . . . 31 ASP N . 7316 1 149 . 1 1 39 39 ASP H H 1 8.297 0.01 . 1 . . . . 32 ASP HN . 7316 1 150 . 1 1 39 39 ASP C C 13 177.823 0.2 . 1 . . . . 32 ASP C . 7316 1 151 . 1 1 39 39 ASP CA C 13 56.958 0.2 . 1 . . . . 32 ASP CA . 7316 1 152 . 1 1 39 39 ASP CB C 13 40.783 0.2 . 1 . . . . 32 ASP CB . 7316 1 153 . 1 1 39 39 ASP N N 15 118.710 0.1 . 1 . . . . 32 ASP N . 7316 1 154 . 1 1 40 40 VAL H H 1 7.996 0.01 . 1 . . . . 33 VAL HN . 7316 1 155 . 1 1 40 40 VAL C C 13 177.577 0.2 . 1 . . . . 33 VAL C . 7316 1 156 . 1 1 40 40 VAL CA C 13 65.328 0.2 . 1 . . . . 33 VAL CA . 7316 1 157 . 1 1 40 40 VAL CB C 13 32.058 0.2 . 1 . . . . 33 VAL CB . 7316 1 158 . 1 1 40 40 VAL N N 15 119.685 0.1 . 1 . . . . 33 VAL N . 7316 1 159 . 1 1 41 41 LEU H H 1 8.595 0.01 . 1 . . . . 34 LEU HN . 7316 1 160 . 1 1 41 41 LEU C C 13 177.689 0.2 . 1 . . . . 34 LEU C . 7316 1 161 . 1 1 41 41 LEU CA C 13 58.536 0.2 . 1 . . . . 34 LEU CA . 7316 1 162 . 1 1 41 41 LEU CB C 13 41.643 0.2 . 1 . . . . 34 LEU CB . 7316 1 163 . 1 1 41 41 LEU N N 15 122.166 0.1 . 1 . . . . 34 LEU N . 7316 1 164 . 1 1 42 42 ASP H H 1 8.277 0.01 . 1 . . . . 35 ASP HN . 7316 1 165 . 1 1 42 42 ASP C C 13 179.453 0.2 . 1 . . . . 35 ASP C . 7316 1 166 . 1 1 42 42 ASP CA C 13 58.127 0.2 . 1 . . . . 35 ASP CA . 7316 1 167 . 1 1 42 42 ASP CB C 13 40.631 0.2 . 1 . . . . 35 ASP CB . 7316 1 168 . 1 1 42 42 ASP N N 15 115.768 0.1 . 1 . . . . 35 ASP N . 7316 1 169 . 1 1 43 43 VAL H H 1 7.248 0.01 . 1 . . . . 36 VAL HN . 7316 1 170 . 1 1 43 43 VAL C C 13 179.380 0.2 . 1 . . . . 36 VAL C . 7316 1 171 . 1 1 43 43 VAL CA C 13 66.118 0.2 . 1 . . . . 36 VAL CA . 7316 1 172 . 1 1 43 43 VAL CB C 13 32.253 0.2 . 1 . . . . 36 VAL CB . 7316 1 173 . 1 1 43 43 VAL N N 15 119.772 0.1 . 1 . . . . 36 VAL N . 7316 1 174 . 1 1 44 44 LEU H H 1 8.120 0.01 . 1 . . . . 37 LEU HN . 7316 1 175 . 1 1 44 44 LEU C C 13 179.622 0.2 . 1 . . . . 37 LEU C . 7316 1 176 . 1 1 44 44 LEU CA C 13 58.124 0.2 . 1 . . . . 37 LEU CA . 7316 1 177 . 1 1 44 44 LEU CB C 13 42.301 0.2 . 1 . . . . 37 LEU CB . 7316 1 178 . 1 1 44 44 LEU N N 15 120.634 0.1 . 1 . . . . 37 LEU N . 7316 1 179 . 1 1 45 45 LEU H H 1 9.008 0.01 . 1 . . . . 38 LEU HN . 7316 1 180 . 1 1 45 45 LEU C C 13 179.380 0.2 . 1 . . . . 38 LEU C . 7316 1 181 . 1 1 45 45 LEU CA C 13 58.068 0.2 . 1 . . . . 38 LEU CA . 7316 1 182 . 1 1 45 45 LEU CB C 13 41.563 0.2 . 1 . . . . 38 LEU CB . 7316 1 183 . 1 1 45 45 LEU N N 15 118.941 0.1 . 1 . . . . 38 LEU N . 7316 1 184 . 1 1 46 46 GLU H H 1 7.968 0.01 . 1 . . . . 39 GLU HN . 7316 1 185 . 1 1 46 46 GLU C C 13 179.029 0.2 . 1 . . . . 39 GLU C . 7316 1 186 . 1 1 46 46 GLU CA C 13 59.793 0.2 . 1 . . . . 39 GLU CA . 7316 1 187 . 1 1 46 46 GLU CB C 13 29.604 0.2 . 1 . . . . 39 GLU CB . 7316 1 188 . 1 1 46 46 GLU N N 15 119.797 0.1 . 1 . . . . 39 GLU N . 7316 1 189 . 1 1 47 47 HIS H H 1 8.013 0.01 . 1 . . . . 40 HIS HN . 7316 1 190 . 1 1 47 47 HIS C C 13 176.073 0.2 . 1 . . . . 40 HIS C . 7316 1 191 . 1 1 47 47 HIS CA C 13 60.085 0.2 . 1 . . . . 40 HIS CA . 7316 1 192 . 1 1 47 47 HIS CB C 13 30.358 0.2 . 1 . . . . 40 HIS CB . 7316 1 193 . 1 1 47 47 HIS N N 15 119.803 0.1 . 1 . . . . 40 HIS N . 7316 1 194 . 1 1 48 48 PHE H H 1 8.787 0.01 . 1 . . . . 41 PHE HN . 7316 1 195 . 1 1 48 48 PHE C C 13 178.015 0.2 . 1 . . . . 41 PHE C . 7316 1 196 . 1 1 48 48 PHE CA C 13 62.785 0.2 . 1 . . . . 41 PHE CA . 7316 1 197 . 1 1 48 48 PHE CB C 13 39.742 0.2 . 1 . . . . 41 PHE CB . 7316 1 198 . 1 1 48 48 PHE N N 15 118.402 0.1 . 1 . . . . 41 PHE N . 7316 1 199 . 1 1 49 49 VAL H H 1 8.372 0.01 . 1 . . . . 42 VAL HN . 7316 1 200 . 1 1 49 49 VAL C C 13 178.290 0.2 . 1 . . . . 42 VAL C . 7316 1 201 . 1 1 49 49 VAL CA C 13 67.280 0.2 . 1 . . . . 42 VAL CA . 7316 1 202 . 1 1 49 49 VAL CB C 13 32.326 0.2 . 1 . . . . 42 VAL CB . 7316 1 203 . 1 1 49 49 VAL N N 15 121.032 0.1 . 1 . . . . 42 VAL N . 7316 1 204 . 1 1 50 50 LYS H H 1 8.077 0.01 . 1 . . . . 43 LYS HN . 7316 1 205 . 1 1 50 50 LYS CA C 13 59.557 0.2 . 1 . . . . 43 LYS CA . 7316 1 206 . 1 1 50 50 LYS CB C 13 32.919 0.2 . 1 . . . . 43 LYS CB . 7316 1 207 . 1 1 50 50 LYS N N 15 121.003 0.1 . 1 . . . . 43 LYS N . 7316 1 208 . 1 1 51 51 ILE C C 13 178.162 0.2 . 1 . . . . 44 ILE C . 7316 1 209 . 1 1 51 51 ILE CA C 13 62.040 0.2 . 1 . . . . 44 ILE CA . 7316 1 210 . 1 1 51 51 ILE CB C 13 37.299 0.2 . 1 . . . . 44 ILE CB . 7316 1 211 . 1 1 52 52 THR H H 1 7.551 0.01 . 1 . . . . 45 THR HN . 7316 1 212 . 1 1 52 52 THR C C 13 176.300 0.2 . 1 . . . . 45 THR C . 7316 1 213 . 1 1 52 52 THR CA C 13 65.732 0.2 . 1 . . . . 45 THR CA . 7316 1 214 . 1 1 52 52 THR CB C 13 69.648 0.2 . 1 . . . . 45 THR CB . 7316 1 215 . 1 1 52 52 THR N N 15 109.421 0.1 . 1 . . . . 45 THR N . 7316 1 216 . 1 1 53 53 GLU H H 1 7.272 0.01 . 1 . . . . 46 GLU HN . 7316 1 217 . 1 1 53 53 GLU C C 13 173.427 0.2 . 1 . . . . 46 GLU C . 7316 1 218 . 1 1 53 53 GLU CA C 13 57.661 0.2 . 1 . . . . 46 GLU CA . 7316 1 219 . 1 1 53 53 GLU CB C 13 29.099 0.2 . 1 . . . . 46 GLU CB . 7316 1 220 . 1 1 53 53 GLU N N 15 113.929 0.1 . 1 . . . . 46 GLU N . 7316 1 221 . 1 1 54 54 HIS H H 1 7.095 0.01 . 1 . . . . 47 HIS HN . 7316 1 222 . 1 1 54 54 HIS CA C 13 55.784 0.2 . 1 . . . . 47 HIS CA . 7316 1 223 . 1 1 54 54 HIS CB C 13 32.309 0.2 . 1 . . . . 47 HIS CB . 7316 1 224 . 1 1 54 54 HIS N N 15 119.649 0.1 . 1 . . . . 47 HIS N . 7316 1 225 . 1 1 55 55 PRO C C 13 177.895 0.2 . 1 . . . . 48 PRO C . 7316 1 226 . 1 1 55 55 PRO CA C 13 64.769 0.2 . 1 . . . . 48 PRO CA . 7316 1 227 . 1 1 55 55 PRO CB C 13 32.268 0.2 . 1 . . . . 48 PRO CB . 7316 1 228 . 1 1 56 56 ASP H H 1 10.753 0.01 . 1 . . . . 49 ASP HN . 7316 1 229 . 1 1 56 56 ASP C C 13 177.764 0.2 . 1 . . . . 49 ASP C . 7316 1 230 . 1 1 56 56 ASP CA C 13 55.403 0.2 . 1 . . . . 49 ASP CA . 7316 1 231 . 1 1 56 56 ASP CB C 13 40.784 0.2 . 1 . . . . 49 ASP CB . 7316 1 232 . 1 1 56 56 ASP N N 15 121.302 0.1 . 1 . . . . 49 ASP N . 7316 1 233 . 1 1 57 57 GLY H H 1 8.011 0.01 . 1 . . . . 50 GLY HN . 7316 1 234 . 1 1 57 57 GLY C C 13 175.505 0.2 . 1 . . . . 50 GLY C . 7316 1 235 . 1 1 57 57 GLY CA C 13 47.325 0.2 . 1 . . . . 50 GLY CA . 7316 1 236 . 1 1 57 57 GLY N N 15 107.990 0.1 . 1 . . . . 50 GLY N . 7316 1 237 . 1 1 58 58 THR H H 1 9.182 0.01 . 1 . . . . 51 THR HN . 7316 1 238 . 1 1 58 58 THR C C 13 176.565 0.2 . 1 . . . . 51 THR C . 7316 1 239 . 1 1 58 58 THR CA C 13 64.711 0.2 . 1 . . . . 51 THR CA . 7316 1 240 . 1 1 58 58 THR CB C 13 68.134 0.2 . 1 . . . . 51 THR CB . 7316 1 241 . 1 1 58 58 THR N N 15 114.603 0.1 . 1 . . . . 51 THR N . 7316 1 242 . 1 1 59 59 ASP H H 1 8.709 0.01 . 1 . . . . 52 ASP HN . 7316 1 243 . 1 1 59 59 ASP C C 13 177.745 0.2 . 1 . . . . 52 ASP C . 7316 1 244 . 1 1 59 59 ASP CA C 13 57.750 0.2 . 1 . . . . 52 ASP CA . 7316 1 245 . 1 1 59 59 ASP CB C 13 39.374 0.2 . 1 . . . . 52 ASP CB . 7316 1 246 . 1 1 59 59 ASP N N 15 125.873 0.1 . 1 . . . . 52 ASP N . 7316 1 247 . 1 1 60 60 LEU H H 1 7.274 0.01 . 1 . . . . 53 LEU HN . 7316 1 248 . 1 1 60 60 LEU C C 13 177.408 0.2 . 1 . . . . 53 LEU C . 7316 1 249 . 1 1 60 60 LEU CA C 13 57.642 0.2 . 1 . . . . 53 LEU CA . 7316 1 250 . 1 1 60 60 LEU CB C 13 43.805 0.2 . 1 . . . . 53 LEU CB . 7316 1 251 . 1 1 60 60 LEU N N 15 115.706 0.1 . 1 . . . . 53 LEU N . 7316 1 252 . 1 1 61 61 ILE H H 1 6.957 0.01 . 1 . . . . 54 ILE HN . 7316 1 253 . 1 1 61 61 ILE C C 13 177.302 0.2 . 1 . . . . 54 ILE C . 7316 1 254 . 1 1 61 61 ILE CA C 13 62.904 0.2 . 1 . . . . 54 ILE CA . 7316 1 255 . 1 1 61 61 ILE CB C 13 39.451 0.2 . 1 . . . . 54 ILE CB . 7316 1 256 . 1 1 61 61 ILE N N 15 113.534 0.1 . 1 . . . . 54 ILE N . 7316 1 257 . 1 1 62 62 TYR H H 1 7.149 0.01 . 1 . . . . 55 TYR HN . 7316 1 258 . 1 1 62 62 TYR C C 13 175.381 0.2 . 1 . . . . 55 TYR C . 7316 1 259 . 1 1 62 62 TYR CA C 13 60.847 0.2 . 1 . . . . 55 TYR CA . 7316 1 260 . 1 1 62 62 TYR CB C 13 40.179 0.2 . 1 . . . . 55 TYR CB . 7316 1 261 . 1 1 62 62 TYR N N 15 114.578 0.1 . 1 . . . . 55 TYR N . 7316 1 262 . 1 1 63 63 TYR H H 1 8.535 0.01 . 1 . . . . 56 TYR HN . 7316 1 263 . 1 1 63 63 TYR CA C 13 55.645 0.2 . 1 . . . . 56 TYR CA . 7316 1 264 . 1 1 63 63 TYR CB C 13 39.298 0.2 . 1 . . . . 56 TYR CB . 7316 1 265 . 1 1 63 63 TYR N N 15 118.274 0.1 . 1 . . . . 56 TYR N . 7316 1 266 . 1 1 64 64 PRO C C 13 177.447 0.2 . 1 . . . . 57 PRO C . 7316 1 267 . 1 1 64 64 PRO CA C 13 63.124 0.2 . 1 . . . . 57 PRO CA . 7316 1 268 . 1 1 64 64 PRO CB C 13 32.470 0.2 . 1 . . . . 57 PRO CB . 7316 1 269 . 1 1 65 65 SER H H 1 8.566 0.01 . 1 . . . . 58 SER HN . 7316 1 270 . 1 1 65 65 SER C C 13 174.884 0.2 . 1 . . . . 58 SER C . 7316 1 271 . 1 1 65 65 SER CA C 13 58.207 0.2 . 1 . . . . 58 SER CA . 7316 1 272 . 1 1 65 65 SER CB C 13 64.416 0.2 . 1 . . . . 58 SER CB . 7316 1 273 . 1 1 65 65 SER N N 15 116.772 0.1 . 1 . . . . 58 SER N . 7316 1 274 . 1 1 66 66 ASP H H 1 8.522 0.01 . 1 . . . . 59 ASP HN . 7316 1 275 . 1 1 66 66 ASP C C 13 176.514 0.2 . 1 . . . . 59 ASP C . 7316 1 276 . 1 1 66 66 ASP CA C 13 55.559 0.2 . 1 . . . . 59 ASP CA . 7316 1 277 . 1 1 66 66 ASP CB C 13 40.861 0.2 . 1 . . . . 59 ASP CB . 7316 1 278 . 1 1 66 66 ASP N N 15 121.743 0.1 . 1 . . . . 59 ASP N . 7316 1 279 . 1 1 67 67 ASN H H 1 8.299 0.01 . 1 . . . . 60 ASN HN . 7316 1 280 . 1 1 67 67 ASN C C 13 174.269 0.2 . 1 . . . . 60 ASN C . 7316 1 281 . 1 1 67 67 ASN CA C 13 53.606 0.2 . 1 . . . . 60 ASN CA . 7316 1 282 . 1 1 67 67 ASN CB C 13 38.710 0.2 . 1 . . . . 60 ASN CB . 7316 1 283 . 1 1 67 67 ASN N N 15 115.647 0.1 . 1 . . . . 60 ASN N . 7316 1 284 . 1 1 68 68 ARG H H 1 7.593 0.01 . 1 . . . . 61 ARG HN . 7316 1 285 . 1 1 68 68 ARG C C 13 175.052 0.2 . 1 . . . . 61 ARG C . 7316 1 286 . 1 1 68 68 ARG CA C 13 54.955 0.2 . 1 . . . . 61 ARG CA . 7316 1 287 . 1 1 68 68 ARG CB C 13 31.940 0.2 . 1 . . . . 61 ARG CB . 7316 1 288 . 1 1 68 68 ARG N N 15 116.975 0.1 . 1 . . . . 61 ARG N . 7316 1 289 . 1 1 69 69 ASP H H 1 8.526 0.01 . 1 . . . . 62 ASP HN . 7316 1 290 . 1 1 69 69 ASP C C 13 175.931 0.2 . 1 . . . . 62 ASP C . 7316 1 291 . 1 1 69 69 ASP CA C 13 54.897 0.2 . 1 . . . . 62 ASP CA . 7316 1 292 . 1 1 69 69 ASP CB C 13 41.628 0.2 . 1 . . . . 62 ASP CB . 7316 1 293 . 1 1 69 69 ASP N N 15 121.058 0.1 . 1 . . . . 62 ASP N . 7316 1 294 . 1 1 70 70 ASP H H 1 8.566 0.01 . 1 . . . . 63 ASP HN . 7316 1 295 . 1 1 70 70 ASP C C 13 174.620 0.2 . 1 . . . . 63 ASP C . 7316 1 296 . 1 1 70 70 ASP CA C 13 52.908 0.2 . 1 . . . . 63 ASP CA . 7316 1 297 . 1 1 70 70 ASP CB C 13 39.481 0.2 . 1 . . . . 63 ASP CB . 7316 1 298 . 1 1 70 70 ASP N N 15 123.903 0.1 . 1 . . . . 63 ASP N . 7316 1 299 . 1 1 71 71 SER H H 1 7.937 0.01 . 1 . . . . 64 SER HN . 7316 1 300 . 1 1 71 71 SER CA C 13 56.518 0.2 . 1 . . . . 64 SER CA . 7316 1 301 . 1 1 71 71 SER CB C 13 63.814 0.2 . 1 . . . . 64 SER CB . 7316 1 302 . 1 1 71 71 SER N N 15 117.162 0.1 . 1 . . . . 64 SER N . 7316 1 303 . 1 1 72 72 PRO C C 13 177.748 0.2 . 1 . . . . 65 PRO C . 7316 1 304 . 1 1 72 72 PRO CA C 13 65.944 0.2 . 1 . . . . 65 PRO CA . 7316 1 305 . 1 1 72 72 PRO CB C 13 32.856 0.2 . 1 . . . . 65 PRO CB . 7316 1 306 . 1 1 73 73 GLU H H 1 9.000 0.01 . 1 . . . . 66 GLU HN . 7316 1 307 . 1 1 73 73 GLU C C 13 179.662 0.2 . 1 . . . . 66 GLU C . 7316 1 308 . 1 1 73 73 GLU CA C 13 61.311 0.2 . 1 . . . . 66 GLU CA . 7316 1 309 . 1 1 73 73 GLU CB C 13 28.591 0.2 . 1 . . . . 66 GLU CB . 7316 1 310 . 1 1 73 73 GLU N N 15 115.944 0.1 . 1 . . . . 66 GLU N . 7316 1 311 . 1 1 74 74 GLY H H 1 8.432 0.01 . 1 . . . . 67 GLY HN . 7316 1 312 . 1 1 74 74 GLY C C 13 176.520 0.2 . 1 . . . . 67 GLY C . 7316 1 313 . 1 1 74 74 GLY CA C 13 47.031 0.2 . 1 . . . . 67 GLY CA . 7316 1 314 . 1 1 74 74 GLY N N 15 111.602 0.1 . 1 . . . . 67 GLY N . 7316 1 315 . 1 1 75 75 ILE H H 1 8.231 0.01 . 1 . . . . 68 ILE HN . 7316 1 316 . 1 1 75 75 ILE C C 13 178.230 0.2 . 1 . . . . 68 ILE C . 7316 1 317 . 1 1 75 75 ILE CA C 13 66.220 0.2 . 1 . . . . 68 ILE CA . 7316 1 318 . 1 1 75 75 ILE CB C 13 38.113 0.2 . 1 . . . . 68 ILE CB . 7316 1 319 . 1 1 75 75 ILE N N 15 124.137 0.1 . 1 . . . . 68 ILE N . 7316 1 320 . 1 1 76 76 VAL H H 1 8.304 0.01 . 1 . . . . 69 VAL HN . 7316 1 321 . 1 1 76 76 VAL C C 13 177.120 0.2 . 1 . . . . 69 VAL C . 7316 1 322 . 1 1 76 76 VAL CA C 13 68.238 0.2 . 1 . . . . 69 VAL CA . 7316 1 323 . 1 1 76 76 VAL CB C 13 31.658 0.2 . 1 . . . . 69 VAL CB . 7316 1 324 . 1 1 76 76 VAL N N 15 118.860 0.1 . 1 . . . . 69 VAL N . 7316 1 325 . 1 1 77 77 LYS H H 1 7.971 0.01 . 1 . . . . 70 LYS HN . 7316 1 326 . 1 1 77 77 LYS C C 13 178.189 0.2 . 1 . . . . 70 LYS C . 7316 1 327 . 1 1 77 77 LYS CA C 13 60.515 0.2 . 1 . . . . 70 LYS CA . 7316 1 328 . 1 1 77 77 LYS CB C 13 32.732 0.2 . 1 . . . . 70 LYS CB . 7316 1 329 . 1 1 77 77 LYS N N 15 120.029 0.1 . 1 . . . . 70 LYS N . 7316 1 330 . 1 1 78 78 GLU H H 1 7.757 0.01 . 1 . . . . 71 GLU HN . 7316 1 331 . 1 1 78 78 GLU C C 13 179.578 0.2 . 1 . . . . 71 GLU C . 7316 1 332 . 1 1 78 78 GLU CA C 13 59.763 0.2 . 1 . . . . 71 GLU CA . 7316 1 333 . 1 1 78 78 GLU CB C 13 28.957 0.2 . 1 . . . . 71 GLU CB . 7316 1 334 . 1 1 78 78 GLU N N 15 119.167 0.1 . 1 . . . . 71 GLU N . 7316 1 335 . 1 1 79 79 ILE H H 1 8.544 0.01 . 1 . . . . 72 ILE HN . 7316 1 336 . 1 1 79 79 ILE C C 13 177.658 0.2 . 1 . . . . 72 ILE C . 7316 1 337 . 1 1 79 79 ILE CA C 13 65.836 0.2 . 1 . . . . 72 ILE CA . 7316 1 338 . 1 1 79 79 ILE CB C 13 38.170 0.2 . 1 . . . . 72 ILE CB . 7316 1 339 . 1 1 79 79 ILE N N 15 119.097 0.1 . 1 . . . . 72 ILE N . 7316 1 340 . 1 1 80 80 LYS H H 1 9.206 0.01 . 1 . . . . 73 LYS HN . 7316 1 341 . 1 1 80 80 LYS C C 13 180.285 0.2 . 1 . . . . 73 LYS C . 7316 1 342 . 1 1 80 80 LYS CA C 13 60.279 0.2 . 1 . . . . 73 LYS CA . 7316 1 343 . 1 1 80 80 LYS CB C 13 33.336 0.2 . 1 . . . . 73 LYS CB . 7316 1 344 . 1 1 80 80 LYS N N 15 119.989 0.1 . 1 . . . . 73 LYS N . 7316 1 345 . 1 1 81 81 GLU H H 1 8.510 0.01 . 1 . . . . 74 GLU HN . 7316 1 346 . 1 1 81 81 GLU C C 13 179.240 0.2 . 1 . . . . 74 GLU C . 7316 1 347 . 1 1 81 81 GLU CA C 13 59.624 0.2 . 1 . . . . 74 GLU CA . 7316 1 348 . 1 1 81 81 GLU CB C 13 29.647 0.2 . 1 . . . . 74 GLU CB . 7316 1 349 . 1 1 81 81 GLU N N 15 119.199 0.1 . 1 . . . . 74 GLU N . 7316 1 350 . 1 1 82 82 TRP H H 1 8.785 0.01 . 1 . . . . 75 TRP HN . 7316 1 351 . 1 1 82 82 TRP C C 13 179.837 0.2 . 1 . . . . 75 TRP C . 7316 1 352 . 1 1 82 82 TRP CA C 13 63.198 0.2 . 1 . . . . 75 TRP CA . 7316 1 353 . 1 1 82 82 TRP CB C 13 29.418 0.2 . 1 . . . . 75 TRP CB . 7316 1 354 . 1 1 82 82 TRP N N 15 122.430 0.1 . 1 . . . . 75 TRP N . 7316 1 355 . 1 1 83 83 ARG H H 1 9.140 0.01 . 1 . . . . 76 ARG HN . 7316 1 356 . 1 1 83 83 ARG C C 13 178.169 0.2 . 1 . . . . 76 ARG C . 7316 1 357 . 1 1 83 83 ARG CA C 13 60.935 0.2 . 1 . . . . 76 ARG CA . 7316 1 358 . 1 1 83 83 ARG CB C 13 28.646 0.2 . 1 . . . . 76 ARG CB . 7316 1 359 . 1 1 83 83 ARG N N 15 118.530 0.1 . 1 . . . . 76 ARG N . 7316 1 360 . 1 1 84 84 ALA H H 1 7.796 0.01 . 1 . . . . 77 ALA HN . 7316 1 361 . 1 1 84 84 ALA C C 13 181.486 0.2 . 1 . . . . 77 ALA C . 7316 1 362 . 1 1 84 84 ALA CA C 13 55.266 0.2 . 1 . . . . 77 ALA CA . 7316 1 363 . 1 1 84 84 ALA CB C 13 18.275 0.2 . 1 . . . . 77 ALA CB . 7316 1 364 . 1 1 84 84 ALA N N 15 120.372 0.1 . 1 . . . . 77 ALA N . 7316 1 365 . 1 1 85 85 ALA H H 1 7.944 0.01 . 1 . . . . 78 ALA HN . 7316 1 366 . 1 1 85 85 ALA C C 13 178.352 0.2 . 1 . . . . 78 ALA C . 7316 1 367 . 1 1 85 85 ALA CA C 13 54.249 0.2 . 1 . . . . 78 ALA CA . 7316 1 368 . 1 1 85 85 ALA CB C 13 18.363 0.2 . 1 . . . . 78 ALA CB . 7316 1 369 . 1 1 85 85 ALA N N 15 120.621 0.1 . 1 . . . . 78 ALA N . 7316 1 370 . 1 1 86 86 ASN H H 1 7.041 0.01 . 1 . . . . 79 ASN HN . 7316 1 371 . 1 1 86 86 ASN C C 13 174.157 0.2 . 1 . . . . 79 ASN C . 7316 1 372 . 1 1 86 86 ASN CA C 13 53.333 0.2 . 1 . . . . 79 ASN CA . 7316 1 373 . 1 1 86 86 ASN CB C 13 39.399 0.2 . 1 . . . . 79 ASN CB . 7316 1 374 . 1 1 86 86 ASN N N 15 113.486 0.1 . 1 . . . . 79 ASN N . 7316 1 375 . 1 1 87 87 GLY H H 1 7.559 0.01 . 1 . . . . 80 GLY HN . 7316 1 376 . 1 1 87 87 GLY C C 13 174.494 0.2 . 1 . . . . 80 GLY C . 7316 1 377 . 1 1 87 87 GLY CA C 13 47.257 0.2 . 1 . . . . 80 GLY CA . 7316 1 378 . 1 1 87 87 GLY N N 15 108.358 0.1 . 1 . . . . 80 GLY N . 7316 1 379 . 1 1 88 88 LYS H H 1 8.062 0.01 . 1 . . . . 81 LYS HN . 7316 1 380 . 1 1 88 88 LYS CA C 13 53.359 0.2 . 1 . . . . 81 LYS CA . 7316 1 381 . 1 1 88 88 LYS CB C 13 32.704 0.2 . 1 . . . . 81 LYS CB . 7316 1 382 . 1 1 88 88 LYS N N 15 119.309 0.1 . 1 . . . . 81 LYS N . 7316 1 383 . 1 1 89 89 PRO C C 13 176.742 0.2 . 1 . . . . 82 PRO C . 7316 1 384 . 1 1 89 89 PRO CA C 13 63.399 0.2 . 1 . . . . 82 PRO CA . 7316 1 385 . 1 1 89 89 PRO CB C 13 32.926 0.2 . 1 . . . . 82 PRO CB . 7316 1 386 . 1 1 90 90 GLY H H 1 8.371 0.01 . 1 . . . . 83 GLY HN . 7316 1 387 . 1 1 90 90 GLY C C 13 173.425 0.2 . 1 . . . . 83 GLY C . 7316 1 388 . 1 1 90 90 GLY CA C 13 43.413 0.2 . 1 . . . . 83 GLY CA . 7316 1 389 . 1 1 90 90 GLY N N 15 110.587 0.1 . 1 . . . . 83 GLY N . 7316 1 390 . 1 1 91 91 PHE H H 1 7.833 0.01 . 1 . . . . 84 PHE HN . 7316 1 391 . 1 1 91 91 PHE C C 13 177.031 0.2 . 1 . . . . 84 PHE C . 7316 1 392 . 1 1 91 91 PHE CA C 13 59.265 0.2 . 1 . . . . 84 PHE CA . 7316 1 393 . 1 1 91 91 PHE CB C 13 40.004 0.2 . 1 . . . . 84 PHE CB . 7316 1 394 . 1 1 91 91 PHE N N 15 116.323 0.1 . 1 . . . . 84 PHE N . 7316 1 395 . 1 1 92 92 LYS H H 1 8.575 0.01 . 1 . . . . 85 LYS HN . 7316 1 396 . 1 1 92 92 LYS C C 13 176.586 0.2 . 1 . . . . 85 LYS C . 7316 1 397 . 1 1 92 92 LYS CA C 13 57.295 0.2 . 1 . . . . 85 LYS CA . 7316 1 398 . 1 1 92 92 LYS CB C 13 32.912 0.2 . 1 . . . . 85 LYS CB . 7316 1 399 . 1 1 92 92 LYS N N 15 123.774 0.1 . 1 . . . . 85 LYS N . 7316 1 400 . 1 1 93 93 GLN H H 1 8.658 0.01 . 1 . . . . 86 GLN HN . 7316 1 401 . 1 1 93 93 GLN C C 13 175.407 0.2 . 1 . . . . 86 GLN C . 7316 1 402 . 1 1 93 93 GLN CA C 13 56.540 0.2 . 1 . . . . 86 GLN CA . 7316 1 403 . 1 1 93 93 GLN CB C 13 29.760 0.2 . 1 . . . . 86 GLN CB . 7316 1 404 . 1 1 93 93 GLN N N 15 125.163 0.1 . 1 . . . . 86 GLN N . 7316 1 405 . 1 1 94 94 GLY H H 1 8.065 0.01 . 1 . . . . 87 GLY HN . 7316 1 406 . 1 1 94 94 GLY CA C 13 46.302 0.2 . 1 . . . . 87 GLY CA . 7316 1 407 . 1 1 94 94 GLY N N 15 116.814 0.1 . 1 . . . . 87 GLY N . 7316 1 stop_ save_