data_18567 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18567 _Entry.Title ; Overexpression, purification and structural characterization of S114A mutant of UVI31+ from chlamydomonas reinhardtii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-05 _Entry.Accession_date 2012-07-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Overexpression, purification and structural characterization of S114A mutant of UVI31+ from chlamydomonas reinhardtii' _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 Himanshu Singh . . . 18567 2 Kandala Chary . V. . 18567 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'tata institute of fundamental research' . 18567 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18567 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 314 18567 '15N chemical shifts' 107 18567 '1H chemical shifts' 107 18567 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 . . 2014-05-13 2012-07-05 update BMRB 'update entry citation' 18567 1 . . 2013-02-28 2012-07-05 original author 'original release' 18567 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16864 'Sequence Specific 1H, 13C and 15N backbone resonance assignments of uvi31+ from Chlamydomonas reinhardtii' 18567 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18567 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23266947 _Citation.Full_citation . _Citation.Title 'H, 13C and 15N resonance assignments of S114A mutant of UVI31+ from Chlamydomonas reinhardtii.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _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 71 _Citation.Page_last 74 _Citation.Year 2014 _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 Himanshu Singh . . . 18567 1 2 Vandana Raghavan . . . 18567 1 3 Manish Shukla . . . 18567 1 4 Basuthkar Rao . J. . 18567 1 5 Kandala Chary . V.R. . 18567 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'S114A mutant of UVI31+' 18567 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18567 _Assembly.ID 1 _Assembly.Name 'S114A mutant of UVI31+' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13360 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'S114A mutant of UVI31+' 1 $S114A_mutant_of_UVI31+ A . no native no no . . . 18567 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S114A_mutant_of_UVI31+ _Entity.Sf_category entity _Entity.Sf_framecode S114A_mutant_of_UVI31+ _Entity.Entry_ID 18567 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S114A_mutant_of_UVI31+ _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 ; MRGSHHHHHHGSHVISSIAS RGSMAEHQLGPIAGAIKSKV EAALSPTHFKLINDSHKHAG HYARDGSTASDAGETHFRLE VTSDAFKGLTLVKRHQLIYG LLSDEFKAGLHALAMTTKTP AEQ ; _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'at 114 position from serine to alanine' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18969 . S55A_of_UVI31+ . . . . . 100.00 123 100.00 100.00 1.21e-80 . . . . 18567 1 2 no BMRB 19307 . UVI31+Mg . . . . . 100.00 123 99.19 100.00 3.18e-80 . . . . 18567 1 3 no BMRB 19308 . Phophorylated_UVI31+ . . . . . 100.00 123 99.19 100.00 3.18e-80 . . . . 18567 1 4 no PDB 2MA0 . "Nmr Structural Of Uvi31+" . . . . . 100.00 123 99.19 100.00 3.18e-80 . . . . 18567 1 5 no GB EDO96758 . "predicted protein [Chlamydomonas reinhardtii]" . . . . . 81.30 100 99.00 100.00 9.72e-64 . . . . 18567 1 6 no REF XP_001702905 . "predicted protein [Chlamydomonas reinhardtii]" . . . . . 81.30 100 99.00 100.00 9.72e-64 . . . . 18567 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 1 MET . 18567 1 2 2 ARG . 18567 1 3 3 GLY . 18567 1 4 4 SER . 18567 1 5 5 HIS . 18567 1 6 6 HIS . 18567 1 7 7 HIS . 18567 1 8 8 HIS . 18567 1 9 9 HIS . 18567 1 10 10 HIS . 18567 1 11 11 GLY . 18567 1 12 12 SER . 18567 1 13 13 HIS . 18567 1 14 14 VAL . 18567 1 15 15 ILE . 18567 1 16 16 SER . 18567 1 17 17 SER . 18567 1 18 18 ILE . 18567 1 19 19 ALA . 18567 1 20 20 SER . 18567 1 21 21 ARG . 18567 1 22 22 GLY . 18567 1 23 23 SER . 18567 1 24 24 MET . 18567 1 25 25 ALA . 18567 1 26 26 GLU . 18567 1 27 27 HIS . 18567 1 28 28 GLN . 18567 1 29 29 LEU . 18567 1 30 30 GLY . 18567 1 31 31 PRO . 18567 1 32 32 ILE . 18567 1 33 33 ALA . 18567 1 34 34 GLY . 18567 1 35 35 ALA . 18567 1 36 36 ILE . 18567 1 37 37 LYS . 18567 1 38 38 SER . 18567 1 39 39 LYS . 18567 1 40 40 VAL . 18567 1 41 41 GLU . 18567 1 42 42 ALA . 18567 1 43 43 ALA . 18567 1 44 44 LEU . 18567 1 45 45 SER . 18567 1 46 46 PRO . 18567 1 47 47 THR . 18567 1 48 48 HIS . 18567 1 49 49 PHE . 18567 1 50 50 LYS . 18567 1 51 51 LEU . 18567 1 52 52 ILE . 18567 1 53 53 ASN . 18567 1 54 54 ASP . 18567 1 55 55 SER . 18567 1 56 56 HIS . 18567 1 57 57 LYS . 18567 1 58 58 HIS . 18567 1 59 59 ALA . 18567 1 60 60 GLY . 18567 1 61 61 HIS . 18567 1 62 62 TYR . 18567 1 63 63 ALA . 18567 1 64 64 ARG . 18567 1 65 65 ASP . 18567 1 66 66 GLY . 18567 1 67 67 SER . 18567 1 68 68 THR . 18567 1 69 69 ALA . 18567 1 70 70 SER . 18567 1 71 71 ASP . 18567 1 72 72 ALA . 18567 1 73 73 GLY . 18567 1 74 74 GLU . 18567 1 75 75 THR . 18567 1 76 76 HIS . 18567 1 77 77 PHE . 18567 1 78 78 ARG . 18567 1 79 79 LEU . 18567 1 80 80 GLU . 18567 1 81 81 VAL . 18567 1 82 82 THR . 18567 1 83 83 SER . 18567 1 84 84 ASP . 18567 1 85 85 ALA . 18567 1 86 86 PHE . 18567 1 87 87 LYS . 18567 1 88 88 GLY . 18567 1 89 89 LEU . 18567 1 90 90 THR . 18567 1 91 91 LEU . 18567 1 92 92 VAL . 18567 1 93 93 LYS . 18567 1 94 94 ARG . 18567 1 95 95 HIS . 18567 1 96 96 GLN . 18567 1 97 97 LEU . 18567 1 98 98 ILE . 18567 1 99 99 TYR . 18567 1 100 100 GLY . 18567 1 101 101 LEU . 18567 1 102 102 LEU . 18567 1 103 103 SER . 18567 1 104 104 ASP . 18567 1 105 105 GLU . 18567 1 106 106 PHE . 18567 1 107 107 LYS . 18567 1 108 108 ALA . 18567 1 109 109 GLY . 18567 1 110 110 LEU . 18567 1 111 111 HIS . 18567 1 112 112 ALA . 18567 1 113 113 LEU . 18567 1 114 114 ALA . 18567 1 115 115 MET . 18567 1 116 116 THR . 18567 1 117 117 THR . 18567 1 118 118 LYS . 18567 1 119 119 THR . 18567 1 120 120 PRO . 18567 1 121 121 ALA . 18567 1 122 122 GLU . 18567 1 123 123 GLN . 18567 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 18567 1 . ARG 2 2 18567 1 . GLY 3 3 18567 1 . SER 4 4 18567 1 . HIS 5 5 18567 1 . HIS 6 6 18567 1 . HIS 7 7 18567 1 . HIS 8 8 18567 1 . HIS 9 9 18567 1 . HIS 10 10 18567 1 . GLY 11 11 18567 1 . SER 12 12 18567 1 . HIS 13 13 18567 1 . VAL 14 14 18567 1 . ILE 15 15 18567 1 . SER 16 16 18567 1 . SER 17 17 18567 1 . ILE 18 18 18567 1 . ALA 19 19 18567 1 . SER 20 20 18567 1 . ARG 21 21 18567 1 . GLY 22 22 18567 1 . SER 23 23 18567 1 . MET 24 24 18567 1 . ALA 25 25 18567 1 . GLU 26 26 18567 1 . HIS 27 27 18567 1 . GLN 28 28 18567 1 . LEU 29 29 18567 1 . GLY 30 30 18567 1 . PRO 31 31 18567 1 . ILE 32 32 18567 1 . ALA 33 33 18567 1 . GLY 34 34 18567 1 . ALA 35 35 18567 1 . ILE 36 36 18567 1 . LYS 37 37 18567 1 . SER 38 38 18567 1 . LYS 39 39 18567 1 . VAL 40 40 18567 1 . GLU 41 41 18567 1 . ALA 42 42 18567 1 . ALA 43 43 18567 1 . LEU 44 44 18567 1 . SER 45 45 18567 1 . PRO 46 46 18567 1 . THR 47 47 18567 1 . HIS 48 48 18567 1 . PHE 49 49 18567 1 . LYS 50 50 18567 1 . LEU 51 51 18567 1 . ILE 52 52 18567 1 . ASN 53 53 18567 1 . ASP 54 54 18567 1 . SER 55 55 18567 1 . HIS 56 56 18567 1 . LYS 57 57 18567 1 . HIS 58 58 18567 1 . ALA 59 59 18567 1 . GLY 60 60 18567 1 . HIS 61 61 18567 1 . TYR 62 62 18567 1 . ALA 63 63 18567 1 . ARG 64 64 18567 1 . ASP 65 65 18567 1 . GLY 66 66 18567 1 . SER 67 67 18567 1 . THR 68 68 18567 1 . ALA 69 69 18567 1 . SER 70 70 18567 1 . ASP 71 71 18567 1 . ALA 72 72 18567 1 . GLY 73 73 18567 1 . GLU 74 74 18567 1 . THR 75 75 18567 1 . HIS 76 76 18567 1 . PHE 77 77 18567 1 . ARG 78 78 18567 1 . LEU 79 79 18567 1 . GLU 80 80 18567 1 . VAL 81 81 18567 1 . THR 82 82 18567 1 . SER 83 83 18567 1 . ASP 84 84 18567 1 . ALA 85 85 18567 1 . PHE 86 86 18567 1 . LYS 87 87 18567 1 . GLY 88 88 18567 1 . LEU 89 89 18567 1 . THR 90 90 18567 1 . LEU 91 91 18567 1 . VAL 92 92 18567 1 . LYS 93 93 18567 1 . ARG 94 94 18567 1 . HIS 95 95 18567 1 . GLN 96 96 18567 1 . LEU 97 97 18567 1 . ILE 98 98 18567 1 . TYR 99 99 18567 1 . GLY 100 100 18567 1 . LEU 101 101 18567 1 . LEU 102 102 18567 1 . SER 103 103 18567 1 . ASP 104 104 18567 1 . GLU 105 105 18567 1 . PHE 106 106 18567 1 . LYS 107 107 18567 1 . ALA 108 108 18567 1 . GLY 109 109 18567 1 . LEU 110 110 18567 1 . HIS 111 111 18567 1 . ALA 112 112 18567 1 . LEU 113 113 18567 1 . ALA 114 114 18567 1 . MET 115 115 18567 1 . THR 116 116 18567 1 . THR 117 117 18567 1 . LYS 118 118 18567 1 . THR 119 119 18567 1 . PRO 120 120 18567 1 . ALA 121 121 18567 1 . GLU 122 122 18567 1 . GLN 123 123 18567 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 18567 _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 $S114A_mutant_of_UVI31+ . 3055 organism . 'Chlamydomonas reinhardtii' 'Green algae' . . Eukaryota . Chlamydomonas reinhardtii cc125 . . . . . . . . . . . . . . . . . . . . 18567 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 18567 _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 $S114A_mutant_of_UVI31+ . 'cell free synthesis' 'chlamydomonas reinhardtii' . . . chlamydomonas reinhardtii cc125 . . . . . . . . . . . . . . . 'pET and pQE-30' . . . . . . 18567 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18567 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Uniformly 15N-labelled (u-15N UVI31+) and uniformly 13C/15N doubly-labelled (u-13C/15N UVI31+) samples were produced in minimal (M9) media. E. coli strain BL21 (DE3) harboring the vector pET was grown in the appropriate minimal (M9) medium containing ampicillin (100 mg/ml) to an absorbance A600 of 0.5 at 33 C. The cells were harvested and resuspended in fresh minimal (M9) medium without ampicillin, followed by induction with 1 mM IPTG at 25 C for overnight. Cells were collected by centrifugation, resuspended in lysis buffer [50 mM sodium phosphate (pH 7.6), 50 mM NaCl, 1 mM PMSF, 5 mM Imidazole, 2% Tween 20, and 1 mg/ml lysozyme] and incubated on ice for 30 min. Cells were disrupted by ultrasonication. The cell debris was removed by centrifugation (15,000 rpm for 20 min at 4 C). The UVI31+ protein was purified from the resulting supernatant using Ni NTA (Ni2+-nitrilotriacetate) agarose (Qiagen, Hilden, Germany). His6-tagged UVI31+ was eluted with 250 mM imidazole in 50 mM sodium phosphate (pH 7.6), 50 mM NaCl. The eluted fractions were dialyzed overnight against 50 mM sodium phosphate (pH 6.4), 50 mM NaCl at 4 C. The protein was further purified by gel filtration using a Sephadex G75 column (GE healthcare, USA) equilibrated with 50 mM sodium phosphate (pH 6.4), 50 mM NaCl. The recombinant protein eluted at a volume corresponding to a monomer of approximately 13 kDa. N-terminal amino acid sequence analysis was performed by the Proteomics International Pty Ltd, Australia. The UVI31+ was quantitated by Bradfords with bovine serum albumin as a standard, and by measuring absorbance at 280 nm (Bradford 1976). Typical yields were 25 30 mg/l of culture. ; _Sample.Aggregate_sample_number 0 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'S114A mutant of UVI31+' '[U-100% 13C; U-100% 15N]' . . 1 $S114A_mutant_of_UVI31+ . . 0.8 . . mM 0.03 . . . 18567 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18567 1 3 D2O [U-2H] . . . . . . 10 . . % . . . . 18567 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18567 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 18567 1 pH 6.4 . pH 18567 1 pressure 1 . atm 18567 1 temperature 298 . K 18567 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 18567 _Software.ID 1 _Software.Name FELIX _Software.Version 2002 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'accelrys Inc.' 'San diego' . 18567 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18567 1 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 18567 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18567 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18567 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18567 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18567 1 2 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18567 1 3 '3D HNCA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18567 1 4 '3D HNCACB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18567 1 5 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18567 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18567 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'insert at center of experimental sample tube' cylindrical . . . . . . . 18567 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'insert at center of experimental sample tube' cylindrical . . . . . . . 18567 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'insert at center of experimental sample tube' cylindrical . . . . . . . 18567 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18567 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 'experiments performed, 15N-H HSQC, HNCO,HNCACO, CBCANH, CBCACONH.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18567 1 2 '3D HNCO' . . . 18567 1 3 '3D HNCA' . . . 18567 1 4 '3D HNCACB' . . . 18567 1 5 '3D CBCA(CO)NH' . . . 18567 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 11 11 GLY H H 1 8.416 0.02 . 1 . . . . 11 GLY H . 18567 1 2 . 1 1 11 11 GLY C C 13 173.642 0.3 . 1 . . . . 11 GLY C . 18567 1 3 . 1 1 11 11 GLY CA C 13 44.663 0.3 . 1 . . . . 11 GLY CA . 18567 1 4 . 1 1 11 11 GLY N N 15 109.392 0.3 . 1 . . . . 11 GLY N . 18567 1 5 . 1 1 12 12 SER H H 1 8.29 0.02 . 1 . . . . 12 SER H . 18567 1 6 . 1 1 12 12 SER C C 13 174.247 0.3 . 1 . . . . 12 SER C . 18567 1 7 . 1 1 12 12 SER CA C 13 57.67 0.3 . 1 . . . . 12 SER CA . 18567 1 8 . 1 1 12 12 SER CB C 13 63.081 0.3 . 1 . . . . 12 SER CB . 18567 1 9 . 1 1 12 12 SER N N 15 115.599 0.3 . 1 . . . . 12 SER N . 18567 1 10 . 1 1 13 13 HIS H H 1 8.34 0.02 . 1 . . . . 13 HIS H . 18567 1 11 . 1 1 13 13 HIS C C 13 176.327 0.3 . 1 . . . . 13 HIS C . 18567 1 12 . 1 1 13 13 HIS CA C 13 55.867 0.3 . 1 . . . . 13 HIS CA . 18567 1 13 . 1 1 13 13 HIS CB C 13 29.856 0.3 . 1 . . . . 13 HIS CB . 18567 1 14 . 1 1 13 13 HIS N N 15 122.786 0.3 . 1 . . . . 13 HIS N . 18567 1 15 . 1 1 14 14 VAL H H 1 7.51 0.02 . 1 . . . . 14 VAL H . 18567 1 16 . 1 1 14 14 VAL C C 13 173.982 0.3 . 1 . . . . 14 VAL C . 18567 1 17 . 1 1 14 14 VAL CA C 13 57.67 0.3 . 1 . . . . 14 VAL CA . 18567 1 18 . 1 1 14 14 VAL CB C 13 31.73 0.3 . 1 . . . . 14 VAL CB . 18567 1 19 . 1 1 14 14 VAL N N 15 115.416 0.3 . 1 . . . . 14 VAL N . 18567 1 20 . 1 1 15 15 ILE H H 1 8.112 0.02 . 1 . . . . 15 ILE H . 18567 1 21 . 1 1 15 15 ILE C C 13 175.344 0.3 . 1 . . . . 15 ILE C . 18567 1 22 . 1 1 15 15 ILE CA C 13 60.898 0.3 . 1 . . . . 15 ILE CA . 18567 1 23 . 1 1 15 15 ILE CB C 13 37.735 0.3 . 1 . . . . 15 ILE CB . 18567 1 24 . 1 1 15 15 ILE N N 15 122.061 0.3 . 1 . . . . 15 ILE N . 18567 1 25 . 1 1 16 16 SER H H 1 8.322 0.02 . 1 . . . . 16 SER H . 18567 1 26 . 1 1 16 16 SER C C 13 175.571 0.3 . 1 . . . . 16 SER C . 18567 1 27 . 1 1 16 16 SER CA C 13 60.225 0.3 . 1 . . . . 16 SER CA . 18567 1 28 . 1 1 16 16 SER CB C 13 64.889 0.3 . 1 . . . . 16 SER CB . 18567 1 29 . 1 1 16 16 SER N N 15 125.407 0.3 . 1 . . . . 16 SER N . 18567 1 30 . 1 1 17 17 SER H H 1 8.426 0.02 . 1 . . . . 17 SER H . 18567 1 31 . 1 1 17 17 SER C C 13 173.869 0.3 . 1 . . . . 17 SER C . 18567 1 32 . 1 1 17 17 SER CA C 13 55.006 0.3 . 1 . . . . 17 SER CA . 18567 1 33 . 1 1 17 17 SER CB C 13 65.356 0.3 . 1 . . . . 17 SER CB . 18567 1 34 . 1 1 17 17 SER N N 15 120.273 0.3 . 1 . . . . 17 SER N . 18567 1 35 . 1 1 18 18 ILE H H 1 8.149 0.02 . 1 . . . . 18 ILE H . 18567 1 36 . 1 1 18 18 ILE C C 13 175.684 0.3 . 1 . . . . 18 ILE C . 18567 1 37 . 1 1 18 18 ILE CA C 13 61.562 0.3 . 1 . . . . 18 ILE CA . 18567 1 38 . 1 1 18 18 ILE CB C 13 39.948 0.3 . 1 . . . . 18 ILE CB . 18567 1 39 . 1 1 18 18 ILE N N 15 122.116 0.3 . 1 . . . . 18 ILE N . 18567 1 40 . 1 1 19 19 ALA H H 1 8.285 0.02 . 1 . . . . 19 ALA H . 18567 1 41 . 1 1 19 19 ALA C C 13 177.424 0.3 . 1 . . . . 19 ALA C . 18567 1 42 . 1 1 19 19 ALA CA C 13 51.969 0.3 . 1 . . . . 19 ALA CA . 18567 1 43 . 1 1 19 19 ALA CB C 13 18.285 0.3 . 1 . . . . 19 ALA CB . 18567 1 44 . 1 1 19 19 ALA N N 15 127.023 0.3 . 1 . . . . 19 ALA N . 18567 1 45 . 1 1 20 20 SER H H 1 8.211 0.02 . 1 . . . . 20 SER H . 18567 1 46 . 1 1 20 20 SER C C 13 174.323 0.3 . 1 . . . . 20 SER C . 18567 1 47 . 1 1 20 20 SER CA C 13 57.758 0.3 . 1 . . . . 20 SER CA . 18567 1 48 . 1 1 20 20 SER CB C 13 63.071 0.3 . 1 . . . . 20 SER CB . 18567 1 49 . 1 1 20 20 SER N N 15 114.737 0.3 . 1 . . . . 20 SER N . 18567 1 50 . 1 1 24 24 MET H H 1 8.429 0.02 . 1 . . . . 24 MET H . 18567 1 51 . 1 1 24 24 MET C C 13 175.571 0.3 . 1 . . . . 24 MET C . 18567 1 52 . 1 1 24 24 MET CA C 13 55.012 0.3 . 1 . . . . 24 MET CA . 18567 1 53 . 1 1 24 24 MET CB C 13 31.66 0.3 . 1 . . . . 24 MET CB . 18567 1 54 . 1 1 24 24 MET N N 15 121.879 0.3 . 1 . . . . 24 MET N . 18567 1 55 . 1 1 25 25 ALA H H 1 8.203 0.02 . 1 . . . . 25 ALA H . 18567 1 56 . 1 1 25 25 ALA C C 13 177.235 0.3 . 1 . . . . 25 ALA C . 18567 1 57 . 1 1 25 25 ALA CA C 13 52.159 0.3 . 1 . . . . 25 ALA CA . 18567 1 58 . 1 1 25 25 ALA CB C 13 18.38 0.3 . 1 . . . . 25 ALA CB . 18567 1 59 . 1 1 25 25 ALA N N 15 124.418 0.3 . 1 . . . . 25 ALA N . 18567 1 60 . 1 1 26 26 GLU H H 1 8.302 0.02 . 1 . . . . 26 GLU H . 18567 1 61 . 1 1 26 26 GLU C C 13 173.415 0.3 . 1 . . . . 26 GLU C . 18567 1 62 . 1 1 26 26 GLU CA C 13 58.308 0.3 . 1 . . . . 26 GLU CA . 18567 1 63 . 1 1 26 26 GLU CB C 13 29.387 0.3 . 1 . . . . 26 GLU CB . 18567 1 64 . 1 1 26 26 GLU N N 15 119.327 0.3 . 1 . . . . 26 GLU N . 18567 1 65 . 1 1 27 27 HIS H H 1 8.122 0.02 . 1 . . . . 27 HIS H . 18567 1 66 . 1 1 27 27 HIS C C 13 173.869 0.3 . 1 . . . . 27 HIS C . 18567 1 67 . 1 1 27 27 HIS CA C 13 54.911 0.3 . 1 . . . . 27 HIS CA . 18567 1 68 . 1 1 27 27 HIS CB C 13 28.628 0.3 . 1 . . . . 27 HIS CB . 18567 1 69 . 1 1 27 27 HIS N N 15 118.213 0.3 . 1 . . . . 27 HIS N . 18567 1 70 . 1 1 28 28 GLN H H 1 8.371 0.02 . 1 . . . . 28 GLN H . 18567 1 71 . 1 1 28 28 GLN C C 13 175.079 0.3 . 1 . . . . 28 GLN C . 18567 1 72 . 1 1 28 28 GLN CA C 13 54.911 0.3 . 1 . . . . 28 GLN CA . 18567 1 73 . 1 1 28 28 GLN CB C 13 28.628 0.3 . 1 . . . . 28 GLN CB . 18567 1 74 . 1 1 28 28 GLN N N 15 121.309 0.3 . 1 . . . . 28 GLN N . 18567 1 75 . 1 1 29 29 LEU H H 1 8.417 0.02 . 1 . . . . 29 LEU H . 18567 1 76 . 1 1 29 29 LEU C C 13 177.921 0.3 . 1 . . . . 29 LEU C . 18567 1 77 . 1 1 29 29 LEU CA C 13 54.911 0.3 . 1 . . . . 29 LEU CA . 18567 1 78 . 1 1 29 29 LEU CB C 13 42.007 0.3 . 1 . . . . 29 LEU CB . 18567 1 79 . 1 1 29 29 LEU N N 15 123.827 0.3 . 1 . . . . 29 LEU N . 18567 1 80 . 1 1 30 30 GLY H H 1 8.519 0.02 . 1 . . . . 30 GLY H . 18567 1 81 . 1 1 30 30 GLY C C 13 172.452 0.3 . 1 . . . . 30 GLY C . 18567 1 82 . 1 1 30 30 GLY CA C 13 44.568 0.3 . 1 . . . . 30 GLY CA . 18567 1 83 . 1 1 30 30 GLY N N 15 110.871 0.3 . 1 . . . . 30 GLY N . 18567 1 84 . 1 1 31 31 PRO C C 13 180.224 0.3 . 1 . . . . 31 PRO C . 18567 1 85 . 1 1 32 32 ILE H H 1 10.329 0.02 . 1 . . . . 32 ILE H . 18567 1 86 . 1 1 32 32 ILE C C 13 176.857 0.3 . 1 . . . . 32 ILE C . 18567 1 87 . 1 1 32 32 ILE CA C 13 63.556 0.3 . 1 . . . . 32 ILE CA . 18567 1 88 . 1 1 32 32 ILE CB C 13 37.033 0.3 . 1 . . . . 32 ILE CB . 18567 1 89 . 1 1 32 32 ILE N N 15 124.287 0.3 . 1 . . . . 32 ILE N . 18567 1 90 . 1 1 33 33 ALA H H 1 9.347 0.02 . 1 . . . . 33 ALA H . 18567 1 91 . 1 1 33 33 ALA C C 13 179.316 0.3 . 1 . . . . 33 ALA C . 18567 1 92 . 1 1 33 33 ALA CA C 13 54.443 0.3 . 1 . . . . 33 ALA CA . 18567 1 93 . 1 1 33 33 ALA CB C 13 18.844 0.3 . 1 . . . . 33 ALA CB . 18567 1 94 . 1 1 33 33 ALA N N 15 124.412 0.3 . 1 . . . . 33 ALA N . 18567 1 95 . 1 1 34 34 GLY H H 1 8.67 0.02 . 1 . . . . 34 GLY H . 18567 1 96 . 1 1 34 34 GLY C C 13 175.684 0.3 . 1 . . . . 34 GLY C . 18567 1 97 . 1 1 34 34 GLY CA C 13 46.181 0.3 . 1 . . . . 34 GLY CA . 18567 1 98 . 1 1 34 34 GLY N N 15 132.175 0.3 . 1 . . . . 34 GLY N . 18567 1 99 . 1 1 35 35 ALA H H 1 7.397 0.02 . 1 . . . . 35 ALA H . 18567 1 100 . 1 1 35 35 ALA C C 13 178.635 0.3 . 1 . . . . 35 ALA C . 18567 1 101 . 1 1 35 35 ALA CA C 13 54.152 0.3 . 1 . . . . 35 ALA CA . 18567 1 102 . 1 1 35 35 ALA CB C 13 18.19 0.3 . 1 . . . . 35 ALA CB . 18567 1 103 . 1 1 35 35 ALA N N 15 126.174 0.3 . 1 . . . . 35 ALA N . 18567 1 104 . 1 1 36 36 ILE H H 1 8.425 0.02 . 1 . . . . 36 ILE H . 18567 1 105 . 1 1 36 36 ILE C C 13 176.706 0.3 . 1 . . . . 36 ILE C . 18567 1 106 . 1 1 36 36 ILE CA C 13 65.075 0.3 . 1 . . . . 36 ILE CA . 18567 1 107 . 1 1 36 36 ILE CB C 13 36.786 0.3 . 1 . . . . 36 ILE CB . 18567 1 108 . 1 1 36 36 ILE N N 15 117.159 0.3 . 1 . . . . 36 ILE N . 18567 1 109 . 1 1 37 37 LYS H H 1 7.908 0.02 . 1 . . . . 37 LYS H . 18567 1 110 . 1 1 37 37 LYS C C 13 176.895 0.3 . 1 . . . . 37 LYS C . 18567 1 111 . 1 1 37 37 LYS CA C 13 58.991 0.3 . 1 . . . . 37 LYS CA . 18567 1 112 . 1 1 37 37 LYS CB C 13 32.328 0.3 . 1 . . . . 37 LYS CB . 18567 1 113 . 1 1 37 37 LYS N N 15 116.596 0.3 . 1 . . . . 37 LYS N . 18567 1 114 . 1 1 38 38 SER H H 1 8.048 0.02 . 1 . . . . 38 SER H . 18567 1 115 . 1 1 38 38 SER C C 13 177.76 0.3 . 1 . . . . 38 SER C . 18567 1 116 . 1 1 38 38 SER CA C 13 55.101 0.3 . 1 . . . . 38 SER CA . 18567 1 117 . 1 1 38 38 SER CB C 13 62.122 0.3 . 1 . . . . 38 SER CB . 18567 1 118 . 1 1 38 38 SER N N 15 111.668 0.3 . 1 . . . . 38 SER N . 18567 1 119 . 1 1 39 39 LYS H H 1 8.624 0.02 . 1 . . . . 39 LYS H . 18567 1 120 . 1 1 39 39 LYS C C 13 179.694 0.3 . 1 . . . . 39 LYS C . 18567 1 121 . 1 1 39 39 LYS CA C 13 55.101 0.3 . 1 . . . . 39 LYS CA . 18567 1 122 . 1 1 39 39 LYS CB C 13 34.395 0.3 . 1 . . . . 39 LYS CB . 18567 1 123 . 1 1 39 39 LYS N N 15 120.626 0.3 . 1 . . . . 39 LYS N . 18567 1 124 . 1 1 40 40 VAL H H 1 8.475 0.02 . 1 . . . . 40 VAL H . 18567 1 125 . 1 1 40 40 VAL C C 13 180.715 0.3 . 1 . . . . 40 VAL C . 18567 1 126 . 1 1 40 40 VAL CA C 13 56.239 0.3 . 1 . . . . 40 VAL CA . 18567 1 127 . 1 1 40 40 VAL CB C 13 30.046 0.3 . 1 . . . . 40 VAL CB . 18567 1 128 . 1 1 40 40 VAL N N 15 118.92 0.3 . 1 . . . . 40 VAL N . 18567 1 129 . 1 1 41 41 GLU H H 1 8.341 0.02 . 1 . . . . 41 GLU H . 18567 1 130 . 1 1 41 41 GLU C C 13 178.786 0.3 . 1 . . . . 41 GLU C . 18567 1 131 . 1 1 41 41 GLU CA C 13 54.816 0.3 . 1 . . . . 41 GLU CA . 18567 1 132 . 1 1 41 41 GLU CB C 13 28.628 0.3 . 1 . . . . 41 GLU CB . 18567 1 133 . 1 1 41 41 GLU N N 15 118.628 0.3 . 1 . . . . 41 GLU N . 18567 1 134 . 1 1 42 42 ALA H H 1 7.618 0.02 . 1 . . . . 42 ALA H . 18567 1 135 . 1 1 42 42 ALA C C 13 178.786 0.3 . 1 . . . . 42 ALA C . 18567 1 136 . 1 1 42 42 ALA CA C 13 53.393 0.3 . 1 . . . . 42 ALA CA . 18567 1 137 . 1 1 42 42 ALA CB C 13 17.906 0.3 . 1 . . . . 42 ALA CB . 18567 1 138 . 1 1 42 42 ALA N N 15 118.67 0.3 . 1 . . . . 42 ALA N . 18567 1 139 . 1 1 43 43 ALA H H 1 7.523 0.02 . 1 . . . . 43 ALA H . 18567 1 140 . 1 1 43 43 ALA C C 13 179.127 0.3 . 1 . . . . 43 ALA C . 18567 1 141 . 1 1 43 43 ALA CA C 13 53.772 0.3 . 1 . . . . 43 ALA CA . 18567 1 142 . 1 1 43 43 ALA CB C 13 19.793 0.3 . 1 . . . . 43 ALA CB . 18567 1 143 . 1 1 43 43 ALA N N 15 115.576 0.3 . 1 . . . . 43 ALA N . 18567 1 144 . 1 1 44 44 LEU H H 1 8.052 0.02 . 1 . . . . 44 LEU H . 18567 1 145 . 1 1 44 44 LEU C C 13 176.214 0.3 . 1 . . . . 44 LEU C . 18567 1 146 . 1 1 44 44 LEU CA C 13 53.298 0.3 . 1 . . . . 44 LEU CA . 18567 1 147 . 1 1 44 44 LEU CB C 13 41.342 0.3 . 1 . . . . 44 LEU CB . 18567 1 148 . 1 1 44 44 LEU N N 15 112.134 0.3 . 1 . . . . 44 LEU N . 18567 1 149 . 1 1 45 45 SER H H 1 7.73 0.02 . 1 . . . . 45 SER H . 18567 1 150 . 1 1 45 45 SER C C 13 177.144 0.3 . 1 . . . . 45 SER C . 18567 1 151 . 1 1 45 45 SER CA C 13 57.093 0.3 . 1 . . . . 45 SER CA . 18567 1 152 . 1 1 45 45 SER CB C 13 61.553 0.3 . 1 . . . . 45 SER CB . 18567 1 153 . 1 1 45 45 SER N N 15 113.571 0.3 . 1 . . . . 45 SER N . 18567 1 154 . 1 1 46 46 PRO C C 13 177.198 0.3 . 1 . . . . 46 PRO C . 18567 1 155 . 1 1 47 47 THR H H 1 8.415 0.02 . 1 . . . . 47 THR H . 18567 1 156 . 1 1 47 47 THR C C 13 175.563 0.3 . 1 . . . . 47 THR C . 18567 1 157 . 1 1 47 47 THR CA C 13 61.648 0.3 . 1 . . . . 47 THR CA . 18567 1 158 . 1 1 47 47 THR CB C 13 67.436 0.3 . 1 . . . . 47 THR CB . 18567 1 159 . 1 1 47 47 THR N N 15 111.443 0.3 . 1 . . . . 47 THR N . 18567 1 160 . 1 1 48 48 HIS H H 1 7.33 0.02 . 1 . . . . 48 HIS H . 18567 1 161 . 1 1 48 48 HIS C C 13 171.864 0.3 . 1 . . . . 48 HIS C . 18567 1 162 . 1 1 48 48 HIS CA C 13 55.772 0.3 . 1 . . . . 48 HIS CA . 18567 1 163 . 1 1 48 48 HIS CB C 13 31.565 0.3 . 1 . . . . 48 HIS CB . 18567 1 164 . 1 1 48 48 HIS N N 15 119.441 0.3 . 1 . . . . 48 HIS N . 18567 1 165 . 1 1 49 49 PHE H H 1 8.155 0.02 . 1 . . . . 49 PHE H . 18567 1 166 . 1 1 49 49 PHE C C 13 172.129 0.3 . 1 . . . . 49 PHE C . 18567 1 167 . 1 1 49 49 PHE CA C 13 55.772 0.3 . 1 . . . . 49 PHE CA . 18567 1 168 . 1 1 49 49 PHE CB C 13 41.912 0.3 . 1 . . . . 49 PHE CB . 18567 1 169 . 1 1 49 49 PHE N N 15 127.577 0.3 . 1 . . . . 49 PHE N . 18567 1 170 . 1 1 50 50 LYS H H 1 8.19 0.02 . 1 . . . . 50 LYS H . 18567 1 171 . 1 1 50 50 LYS C C 13 172.598 0.3 . 1 . . . . 50 LYS C . 18567 1 172 . 1 1 50 50 LYS CA C 13 55.101 0.3 . 1 . . . . 50 LYS CA . 18567 1 173 . 1 1 50 50 LYS CB C 13 35.934 0.3 . 1 . . . . 50 LYS CB . 18567 1 174 . 1 1 50 50 LYS N N 15 128.69 0.3 . 1 . . . . 50 LYS N . 18567 1 175 . 1 1 51 51 LEU H H 1 8.582 0.02 . 1 . . . . 51 LEU H . 18567 1 176 . 1 1 51 51 LEU C C 13 174.587 0.3 . 1 . . . . 51 LEU C . 18567 1 177 . 1 1 51 51 LEU CA C 13 52.639 0.3 . 1 . . . . 51 LEU CA . 18567 1 178 . 1 1 51 51 LEU CB C 13 44.853 0.3 . 1 . . . . 51 LEU CB . 18567 1 179 . 1 1 51 51 LEU N N 15 128.371 0.3 . 1 . . . . 51 LEU N . 18567 1 180 . 1 1 52 52 ILE H H 1 9.281 0.02 . 1 . . . . 52 ILE H . 18567 1 181 . 1 1 52 52 ILE C C 13 174.133 0.3 . 1 . . . . 52 ILE C . 18567 1 182 . 1 1 52 52 ILE CA C 13 60.035 0.3 . 1 . . . . 52 ILE CA . 18567 1 183 . 1 1 52 52 ILE CB C 13 41.058 0.3 . 1 . . . . 52 ILE CB . 18567 1 184 . 1 1 52 52 ILE N N 15 126.939 0.3 . 1 . . . . 52 ILE N . 18567 1 185 . 1 1 53 53 ASN H H 1 9.288 0.02 . 1 . . . . 53 ASN H . 18567 1 186 . 1 1 53 53 ASN C C 13 174.096 0.3 . 1 . . . . 53 ASN C . 18567 1 187 . 1 1 53 53 ASN CA C 13 51.969 0.3 . 1 . . . . 53 ASN CA . 18567 1 188 . 1 1 53 53 ASN CB C 13 37.25 0.3 . 1 . . . . 53 ASN CB . 18567 1 189 . 1 1 53 53 ASN N N 15 126.146 0.3 . 1 . . . . 53 ASN N . 18567 1 190 . 1 1 54 54 ASP H H 1 8.641 0.02 . 1 . . . . 54 ASP H . 18567 1 191 . 1 1 54 54 ASP C C 13 177.273 0.3 . 1 . . . . 54 ASP C . 18567 1 192 . 1 1 54 54 ASP CA C 13 52.634 0.3 . 1 . . . . 54 ASP CA . 18567 1 193 . 1 1 54 54 ASP CB C 13 41.722 0.3 . 1 . . . . 54 ASP CB . 18567 1 194 . 1 1 54 54 ASP N N 15 128.565 0.3 . 1 . . . . 54 ASP N . 18567 1 195 . 1 1 55 55 SER H H 1 8.814 0.02 . 1 . . . . 55 SER H . 18567 1 196 . 1 1 55 55 SER C C 13 175.824 0.3 . 1 . . . . 55 SER C . 18567 1 197 . 1 1 55 55 SER CA C 13 62.702 0.3 . 1 . . . . 55 SER CA . 18567 1 198 . 1 1 55 55 SER CB C 13 62.132 0.3 . 1 . . . . 55 SER CB . 18567 1 199 . 1 1 55 55 SER N N 15 118.945 0.3 . 1 . . . . 55 SER N . 18567 1 200 . 1 1 56 56 HIS H H 1 8.406 0.02 . 1 . . . . 56 HIS H . 18567 1 201 . 1 1 56 56 HIS C C 13 175.495 0.3 . 1 . . . . 56 HIS C . 18567 1 202 . 1 1 56 56 HIS CA C 13 57.101 0.3 . 1 . . . . 56 HIS CA . 18567 1 203 . 1 1 56 56 HIS CB C 13 30.529 0.3 . 1 . . . . 56 HIS CB . 18567 1 204 . 1 1 56 56 HIS N N 15 118.328 0.3 . 1 . . . . 56 HIS N . 18567 1 205 . 1 1 57 57 LYS H H 1 7.291 0.02 . 1 . . . . 57 LYS H . 18567 1 206 . 1 1 57 57 LYS C C 13 175.42 0.3 . 1 . . . . 57 LYS C . 18567 1 207 . 1 1 57 57 LYS CA C 13 55.86 0.3 . 1 . . . . 57 LYS CA . 18567 1 208 . 1 1 57 57 LYS CB C 13 31.095 0.3 . 1 . . . . 57 LYS CB . 18567 1 209 . 1 1 57 57 LYS N N 15 118.721 0.3 . 1 . . . . 57 LYS N . 18567 1 210 . 1 1 58 58 HIS H H 1 7.457 0.02 . 1 . . . . 58 HIS H . 18567 1 211 . 1 1 58 58 HIS CA C 13 54.158 0.3 . 1 . . . . 58 HIS CA . 18567 1 212 . 1 1 58 58 HIS CB C 13 29.191 0.3 . 1 . . . . 58 HIS CB . 18567 1 213 . 1 1 58 58 HIS N N 15 116.837 0.3 . 1 . . . . 58 HIS N . 18567 1 214 . 1 1 59 59 ALA H H 1 7.713 0.02 . 1 . . . . 59 ALA H . 18567 1 215 . 1 1 59 59 ALA C C 13 177.5 0.3 . 1 . . . . 59 ALA C . 18567 1 216 . 1 1 59 59 ALA CA C 13 52.444 0.3 . 1 . . . . 59 ALA CA . 18567 1 217 . 1 1 59 59 ALA CB C 13 18.464 0.3 . 1 . . . . 59 ALA CB . 18567 1 218 . 1 1 59 59 ALA N N 15 123.866 0.3 . 1 . . . . 59 ALA N . 18567 1 219 . 1 1 60 60 GLY H H 1 8.447 0.02 . 1 . . . . 60 GLY H . 18567 1 220 . 1 1 60 60 GLY C C 13 173.415 0.3 . 1 . . . . 60 GLY C . 18567 1 221 . 1 1 60 60 GLY CA C 13 44.76 0.3 . 1 . . . . 60 GLY CA . 18567 1 222 . 1 1 60 60 GLY N N 15 107.641 0.3 . 1 . . . . 60 GLY N . 18567 1 223 . 1 1 61 61 HIS H H 1 8.117 0.02 . 1 . . . . 61 HIS H . 18567 1 224 . 1 1 61 61 HIS C C 13 173.679 0.3 . 1 . . . . 61 HIS C . 18567 1 225 . 1 1 61 61 HIS CA C 13 54.917 0.3 . 1 . . . . 61 HIS CA . 18567 1 226 . 1 1 61 61 HIS CB C 13 28.717 0.3 . 1 . . . . 61 HIS CB . 18567 1 227 . 1 1 61 61 HIS N N 15 117.993 0.3 . 1 . . . . 61 HIS N . 18567 1 228 . 1 1 62 62 TYR H H 1 8.045 0.02 . 1 . . . . 62 TYR H . 18567 1 229 . 1 1 62 62 TYR C C 13 174.625 0.3 . 1 . . . . 62 TYR C . 18567 1 230 . 1 1 62 62 TYR CA C 13 56.816 0.3 . 1 . . . . 62 TYR CA . 18567 1 231 . 1 1 62 62 TYR CB C 13 38.305 0.3 . 1 . . . . 62 TYR CB . 18567 1 232 . 1 1 62 62 TYR N N 15 120.61 0.3 . 1 . . . . 62 TYR N . 18567 1 233 . 1 1 63 63 ALA H H 1 8.219 0.02 . 1 . . . . 63 ALA H . 18567 1 234 . 1 1 63 63 ALA C C 13 177.084 0.3 . 1 . . . . 63 ALA C . 18567 1 235 . 1 1 63 63 ALA CA C 13 51.4 0.3 . 1 . . . . 63 ALA CA . 18567 1 236 . 1 1 63 63 ALA CB C 13 18.665 0.3 . 1 . . . . 63 ALA CB . 18567 1 237 . 1 1 63 63 ALA N N 15 125.883 0.3 . 1 . . . . 63 ALA N . 18567 1 238 . 1 1 64 64 ARG H H 1 8.339 0.02 . 1 . . . . 64 ARG H . 18567 1 239 . 1 1 64 64 ARG C C 13 175.722 0.3 . 1 . . . . 64 ARG C . 18567 1 240 . 1 1 64 64 ARG CA C 13 55.962 0.3 . 1 . . . . 64 ARG CA . 18567 1 241 . 1 1 64 64 ARG CB C 13 29.476 0.3 . 1 . . . . 64 ARG CB . 18567 1 242 . 1 1 64 64 ARG N N 15 120.435 0.3 . 1 . . . . 64 ARG N . 18567 1 243 . 1 1 65 65 ASP H H 1 8.189 0.02 . 1 . . . . 65 ASP H . 18567 1 244 . 1 1 65 65 ASP C C 13 176.327 0.3 . 1 . . . . 65 ASP C . 18567 1 245 . 1 1 65 65 ASP CA C 13 53.298 0.3 . 1 . . . . 65 ASP CA . 18567 1 246 . 1 1 65 65 ASP CB C 13 40.299 0.3 . 1 . . . . 65 ASP CB . 18567 1 247 . 1 1 65 65 ASP N N 15 120.014 0.3 . 1 . . . . 65 ASP N . 18567 1 248 . 1 1 66 66 GLY H H 1 8.368 0.02 . 1 . . . . 66 GLY H . 18567 1 249 . 1 1 66 66 GLY C C 13 173.831 0.3 . 1 . . . . 66 GLY C . 18567 1 250 . 1 1 66 66 GLY CA C 13 44.663 0.3 . 1 . . . . 66 GLY CA . 18567 1 251 . 1 1 66 66 GLY N N 15 109.2 0.3 . 1 . . . . 66 GLY N . 18567 1 252 . 1 1 67 67 SER H H 1 8.245 0.02 . 1 . . . . 67 SER H . 18567 1 253 . 1 1 67 67 SER C C 13 175.1 0.3 . 1 . . . . 67 SER C . 18567 1 254 . 1 1 67 67 SER CA C 13 57.947 0.3 . 1 . . . . 67 SER CA . 18567 1 255 . 1 1 67 67 SER CB C 13 63.356 0.3 . 1 . . . . 67 SER CB . 18567 1 256 . 1 1 67 67 SER N N 15 115.739 0.3 . 1 . . . . 67 SER N . 18567 1 257 . 1 1 68 68 THR H H 1 8.417 0.02 . 1 . . . . 68 THR H . 18567 1 258 . 1 1 68 68 THR C C 13 174.285 0.3 . 1 . . . . 68 THR C . 18567 1 259 . 1 1 68 68 THR CA C 13 61.932 0.3 . 1 . . . . 68 THR CA . 18567 1 260 . 1 1 68 68 THR CB C 13 68.859 0.3 . 1 . . . . 68 THR CB . 18567 1 261 . 1 1 68 68 THR N N 15 115.837 0.3 . 1 . . . . 68 THR N . 18567 1 262 . 1 1 69 69 ALA H H 1 8.368 0.02 . 1 . . . . 69 ALA H . 18567 1 263 . 1 1 69 69 ALA C C 13 177.387 0.3 . 1 . . . . 69 ALA C . 18567 1 264 . 1 1 69 69 ALA CA C 13 52.444 0.3 . 1 . . . . 69 ALA CA . 18567 1 265 . 1 1 69 69 ALA CB C 13 18.38 0.3 . 1 . . . . 69 ALA CB . 18567 1 266 . 1 1 69 69 ALA N N 15 125.438 0.3 . 1 . . . . 69 ALA N . 18567 1 267 . 1 1 70 70 SER H H 1 8.24 0.02 . 1 . . . . 70 SER H . 18567 1 268 . 1 1 70 70 SER C C 13 174.323 0.3 . 1 . . . . 70 SER C . 18567 1 269 . 1 1 70 70 SER CA C 13 58.422 0.3 . 1 . . . . 70 SER CA . 18567 1 270 . 1 1 70 70 SER CB C 13 62.976 0.3 . 1 . . . . 70 SER CB . 18567 1 271 . 1 1 70 70 SER N N 15 114.469 0.3 . 1 . . . . 70 SER N . 18567 1 272 . 1 1 71 71 ASP H H 1 8.314 0.02 . 1 . . . . 71 ASP H . 18567 1 273 . 1 1 71 71 ASP C C 13 175.457 0.3 . 1 . . . . 71 ASP C . 18567 1 274 . 1 1 71 71 ASP CA C 13 54.152 0.3 . 1 . . . . 71 ASP CA . 18567 1 275 . 1 1 71 71 ASP CB C 13 40.393 0.3 . 1 . . . . 71 ASP CB . 18567 1 276 . 1 1 71 71 ASP N N 15 121.882 0.3 . 1 . . . . 71 ASP N . 18567 1 277 . 1 1 72 72 ALA H H 1 8.123 0.02 . 1 . . . . 72 ALA H . 18567 1 278 . 1 1 72 72 ALA C C 13 177.198 0.3 . 1 . . . . 72 ALA C . 18567 1 279 . 1 1 72 72 ALA CA C 13 51.685 0.3 . 1 . . . . 72 ALA CA . 18567 1 280 . 1 1 72 72 ALA CB C 13 18.475 0.3 . 1 . . . . 72 ALA CB . 18567 1 281 . 1 1 72 72 ALA N N 15 122.98 0.3 . 1 . . . . 72 ALA N . 18567 1 282 . 1 1 73 73 GLY H H 1 8.266 0.02 . 1 . . . . 73 GLY H . 18567 1 283 . 1 1 73 73 GLY C C 13 173.188 0.3 . 1 . . . . 73 GLY C . 18567 1 284 . 1 1 73 73 GLY CA C 13 44.948 0.3 . 1 . . . . 73 GLY CA . 18567 1 285 . 1 1 73 73 GLY N N 15 107.044 0.3 . 1 . . . . 73 GLY N . 18567 1 286 . 1 1 74 74 GLU H H 1 8.517 0.02 . 1 . . . . 74 GLU H . 18567 1 287 . 1 1 74 74 GLU C C 13 173.519 0.3 . 1 . . . . 74 GLU C . 18567 1 288 . 1 1 74 74 GLU CA C 13 54.816 0.3 . 1 . . . . 74 GLU CA . 18567 1 289 . 1 1 74 74 GLU CB C 13 31.379 0.3 . 1 . . . . 74 GLU CB . 18567 1 290 . 1 1 74 74 GLU N N 15 121.975 0.3 . 1 . . . . 74 GLU N . 18567 1 291 . 1 1 75 75 THR H H 1 8.22 0.02 . 1 . . . . 75 THR H . 18567 1 292 . 1 1 75 75 THR C C 13 175.306 0.3 . 1 . . . . 75 THR C . 18567 1 293 . 1 1 75 75 THR CA C 13 62.217 0.3 . 1 . . . . 75 THR CA . 18567 1 294 . 1 1 75 75 THR CB C 13 68.574 0.3 . 1 . . . . 75 THR CB . 18567 1 295 . 1 1 75 75 THR N N 15 107.572 0.3 . 1 . . . . 75 THR N . 18567 1 296 . 1 1 76 76 HIS H H 1 7.832 0.02 . 1 . . . . 76 HIS H . 18567 1 297 . 1 1 76 76 HIS C C 13 172.847 0.3 . 1 . . . . 76 HIS C . 18567 1 298 . 1 1 76 76 HIS CA C 13 55.67 0.3 . 1 . . . . 76 HIS CA . 18567 1 299 . 1 1 76 76 HIS CB C 13 32.613 0.3 . 1 . . . . 76 HIS CB . 18567 1 300 . 1 1 76 76 HIS N N 15 122.562 0.3 . 1 . . . . 76 HIS N . 18567 1 301 . 1 1 77 77 PHE H H 1 7.972 0.02 . 1 . . . . 77 PHE H . 18567 1 302 . 1 1 77 77 PHE C C 13 175.722 0.3 . 1 . . . . 77 PHE C . 18567 1 303 . 1 1 77 77 PHE CA C 13 57.663 0.3 . 1 . . . . 77 PHE CA . 18567 1 304 . 1 1 77 77 PHE CB C 13 43.525 0.3 . 1 . . . . 77 PHE CB . 18567 1 305 . 1 1 77 77 PHE N N 15 116.13 0.3 . 1 . . . . 77 PHE N . 18567 1 306 . 1 1 78 78 ARG H H 1 9.393 0.02 . 1 . . . . 78 ARG H . 18567 1 307 . 1 1 78 78 ARG C C 13 174.854 0.3 . 1 . . . . 78 ARG C . 18567 1 308 . 1 1 78 78 ARG CA C 13 54.531 0.3 . 1 . . . . 78 ARG CA . 18567 1 309 . 1 1 78 78 ARG CB C 13 32.613 0.3 . 1 . . . . 78 ARG CB . 18567 1 310 . 1 1 78 78 ARG N N 15 121.854 0.3 . 1 . . . . 78 ARG N . 18567 1 311 . 1 1 79 79 LEU H H 1 8.614 0.02 . 1 . . . . 79 LEU H . 18567 1 312 . 1 1 79 79 LEU C C 13 173.566 0.3 . 1 . . . . 79 LEU C . 18567 1 313 . 1 1 79 79 LEU CA C 13 52.444 0.3 . 1 . . . . 79 LEU CA . 18567 1 314 . 1 1 79 79 LEU CB C 13 44.758 0.3 . 1 . . . . 79 LEU CB . 18567 1 315 . 1 1 79 79 LEU N N 15 123.859 0.3 . 1 . . . . 79 LEU N . 18567 1 316 . 1 1 80 80 GLU H H 1 9.234 0.02 . 1 . . . . 80 GLU H . 18567 1 317 . 1 1 80 80 GLU C C 13 174.02 0.3 . 1 . . . . 80 GLU C . 18567 1 318 . 1 1 80 80 GLU CA C 13 59.75 0.3 . 1 . . . . 80 GLU CA . 18567 1 319 . 1 1 80 80 GLU CB C 13 30.146 0.3 . 1 . . . . 80 GLU CB . 18567 1 320 . 1 1 80 80 GLU N N 15 126.84 0.3 . 1 . . . . 80 GLU N . 18567 1 321 . 1 1 81 81 VAL H H 1 8.583 0.02 . 1 . . . . 81 VAL H . 18567 1 322 . 1 1 81 81 VAL C C 13 173.301 0.3 . 1 . . . . 81 VAL C . 18567 1 323 . 1 1 81 81 VAL CA C 13 59.94 0.3 . 1 . . . . 81 VAL CA . 18567 1 324 . 1 1 81 81 VAL CB C 13 34.795 0.3 . 1 . . . . 81 VAL CB . 18567 1 325 . 1 1 81 81 VAL N N 15 119.171 0.3 . 1 . . . . 81 VAL N . 18567 1 326 . 1 1 82 82 THR H H 1 8.823 0.02 . 1 . . . . 82 THR H . 18567 1 327 . 1 1 82 82 THR C C 13 173.642 0.3 . 1 . . . . 82 THR C . 18567 1 328 . 1 1 82 82 THR CA C 13 59.181 0.3 . 1 . . . . 82 THR CA . 18567 1 329 . 1 1 82 82 THR CB C 13 68.669 0.3 . 1 . . . . 82 THR CB . 18567 1 330 . 1 1 82 82 THR N N 15 127.148 0.3 . 1 . . . . 82 THR N . 18567 1 331 . 1 1 83 83 SER H H 1 8.939 0.02 . 1 . . . . 83 SER H . 18567 1 332 . 1 1 83 83 SER C C 13 174.55 0.3 . 1 . . . . 83 SER C . 18567 1 333 . 1 1 83 83 SER CA C 13 56.05 0.3 . 1 . . . . 83 SER CA . 18567 1 334 . 1 1 83 83 SER CB C 13 63.356 0.3 . 1 . . . . 83 SER CB . 18567 1 335 . 1 1 83 83 SER N N 15 117.236 0.3 . 1 . . . . 83 SER N . 18567 1 336 . 1 1 84 84 ASP H H 1 9.19 0.02 . 1 . . . . 84 ASP H . 18567 1 337 . 1 1 84 84 ASP C C 13 177.16 0.3 . 1 . . . . 84 ASP C . 18567 1 338 . 1 1 84 84 ASP CA C 13 56.334 0.3 . 1 . . . . 84 ASP CA . 18567 1 339 . 1 1 84 84 ASP CB C 13 40.204 0.3 . 1 . . . . 84 ASP CB . 18567 1 340 . 1 1 84 84 ASP N N 15 130.628 0.3 . 1 . . . . 84 ASP N . 18567 1 341 . 1 1 85 85 ALA H H 1 8.665 0.02 . 1 . . . . 85 ALA H . 18567 1 342 . 1 1 85 85 ALA C C 13 177.424 0.3 . 1 . . . . 85 ALA C . 18567 1 343 . 1 1 85 85 ALA CA C 13 53.013 0.3 . 1 . . . . 85 ALA CA . 18567 1 344 . 1 1 85 85 ALA CB C 13 17.716 0.3 . 1 . . . . 85 ALA CB . 18567 1 345 . 1 1 85 85 ALA N N 15 122.589 0.3 . 1 . . . . 85 ALA N . 18567 1 346 . 1 1 86 86 PHE H H 1 6.71 0.02 . 1 . . . . 86 PHE H . 18567 1 347 . 1 1 86 86 PHE C C 13 174.474 0.3 . 1 . . . . 86 PHE C . 18567 1 348 . 1 1 86 86 PHE CA C 13 53.962 0.3 . 1 . . . . 86 PHE CA . 18567 1 349 . 1 1 86 86 PHE CB C 13 37.167 0.3 . 1 . . . . 86 PHE CB . 18567 1 350 . 1 1 86 86 PHE N N 15 111.325 0.3 . 1 . . . . 86 PHE N . 18567 1 351 . 1 1 87 87 LYS H H 1 7.515 0.02 . 1 . . . . 87 LYS H . 18567 1 352 . 1 1 87 87 LYS C C 13 176.857 0.3 . 1 . . . . 87 LYS C . 18567 1 353 . 1 1 87 87 LYS CA C 13 58.232 0.3 . 1 . . . . 87 LYS CA . 18567 1 354 . 1 1 87 87 LYS CB C 13 31.379 0.3 . 1 . . . . 87 LYS CB . 18567 1 355 . 1 1 87 87 LYS N N 15 120.471 0.3 . 1 . . . . 87 LYS N . 18567 1 356 . 1 1 88 88 GLY H H 1 9.09 0.02 . 1 . . . . 88 GLY H . 18567 1 357 . 1 1 88 88 GLY C C 13 173.339 0.3 . 1 . . . . 88 GLY C . 18567 1 358 . 1 1 88 88 GLY CA C 13 44.758 0.3 . 1 . . . . 88 GLY CA . 18567 1 359 . 1 1 88 88 GLY N N 15 113.642 0.3 . 1 . . . . 88 GLY N . 18567 1 360 . 1 1 89 89 LEU H H 1 7.958 0.02 . 1 . . . . 89 LEU H . 18567 1 361 . 1 1 89 89 LEU C C 13 178.105 0.3 . 1 . . . . 89 LEU C . 18567 1 362 . 1 1 89 89 LEU CA C 13 53.108 0.3 . 1 . . . . 89 LEU CA . 18567 1 363 . 1 1 89 89 LEU CB C 13 44.815 0.3 . 1 . . . . 89 LEU CB . 18567 1 364 . 1 1 89 89 LEU N N 15 120.043 0.3 . 1 . . . . 89 LEU N . 18567 1 365 . 1 1 90 90 THR H H 1 7.851 0.02 . 1 . . . . 90 THR H . 18567 1 366 . 1 1 90 90 THR C C 13 174.285 0.3 . 1 . . . . 90 THR C . 18567 1 367 . 1 1 90 90 THR CA C 13 60.225 0.3 . 1 . . . . 90 THR CA . 18567 1 368 . 1 1 90 90 THR CB C 13 69.334 0.3 . 1 . . . . 90 THR CB . 18567 1 369 . 1 1 90 90 THR N N 15 114.99 0.3 . 1 . . . . 90 THR N . 18567 1 370 . 1 1 91 91 LEU H H 1 8.651 0.02 . 1 . . . . 91 LEU H . 18567 1 371 . 1 1 91 91 LEU C C 13 178.03 0.3 . 1 . . . . 91 LEU C . 18567 1 372 . 1 1 91 91 LEU CA C 13 59.181 0.3 . 1 . . . . 91 LEU CA . 18567 1 373 . 1 1 91 91 LEU CB C 13 40.393 0.3 . 1 . . . . 91 LEU CB . 18567 1 374 . 1 1 91 91 LEU N N 15 122.821 0.3 . 1 . . . . 91 LEU N . 18567 1 375 . 1 1 92 92 VAL H H 1 7.99 0.02 . 1 . . . . 92 VAL H . 18567 1 376 . 1 1 92 92 VAL C C 13 177.765 0.3 . 1 . . . . 92 VAL C . 18567 1 377 . 1 1 92 92 VAL CA C 13 65.253 0.3 . 1 . . . . 92 VAL CA . 18567 1 378 . 1 1 92 92 VAL CB C 13 30.715 0.3 . 1 . . . . 92 VAL CB . 18567 1 379 . 1 1 92 92 VAL N N 15 114.283 0.3 . 1 . . . . 92 VAL N . 18567 1 380 . 1 1 93 93 LYS H H 1 7.14 0.02 . 1 . . . . 93 LYS H . 18567 1 381 . 1 1 93 93 LYS C C 13 179.429 0.3 . 1 . . . . 93 LYS C . 18567 1 382 . 1 1 93 93 LYS CA C 13 58.232 0.3 . 1 . . . . 93 LYS CA . 18567 1 383 . 1 1 93 93 LYS CB C 13 32.044 0.3 . 1 . . . . 93 LYS CB . 18567 1 384 . 1 1 93 93 LYS N N 15 119.841 0.3 . 1 . . . . 93 LYS N . 18567 1 385 . 1 1 94 94 ARG H H 1 8.528 0.02 . 1 . . . . 94 ARG H . 18567 1 386 . 1 1 94 94 ARG C C 13 176.857 0.3 . 1 . . . . 94 ARG C . 18567 1 387 . 1 1 94 94 ARG CA C 13 59.276 0.3 . 1 . . . . 94 ARG CA . 18567 1 388 . 1 1 94 94 ARG CB C 13 28.912 0.3 . 1 . . . . 94 ARG CB . 18567 1 389 . 1 1 94 94 ARG N N 15 121.222 0.3 . 1 . . . . 94 ARG N . 18567 1 390 . 1 1 95 95 HIS H H 1 8.145 0.02 . 1 . . . . 95 HIS H . 18567 1 391 . 1 1 95 95 HIS C C 13 176.819 0.3 . 1 . . . . 95 HIS C . 18567 1 392 . 1 1 95 95 HIS CA C 13 57.188 0.3 . 1 . . . . 95 HIS CA . 18567 1 393 . 1 1 95 95 HIS CB C 13 28.817 0.3 . 1 . . . . 95 HIS CB . 18567 1 394 . 1 1 95 95 HIS N N 15 116.41 0.3 . 1 . . . . 95 HIS N . 18567 1 395 . 1 1 96 96 GLN H H 1 8.451 0.02 . 1 . . . . 96 GLN H . 18567 1 396 . 1 1 96 96 GLN C C 13 178.068 0.3 . 1 . . . . 96 GLN C . 18567 1 397 . 1 1 96 96 GLN CA C 13 58.327 0.3 . 1 . . . . 96 GLN CA . 18567 1 398 . 1 1 96 96 GLN CB C 13 27.584 0.3 . 1 . . . . 96 GLN CB . 18567 1 399 . 1 1 96 96 GLN N N 15 117.748 0.3 . 1 . . . . 96 GLN N . 18567 1 400 . 1 1 97 97 LEU H H 1 7.892 0.02 . 1 . . . . 97 LEU H . 18567 1 401 . 1 1 97 97 LEU C C 13 179.013 0.3 . 1 . . . . 97 LEU C . 18567 1 402 . 1 1 97 97 LEU CA C 13 57.947 0.3 . 1 . . . . 97 LEU CA . 18567 1 403 . 1 1 97 97 LEU CB C 13 41.627 0.3 . 1 . . . . 97 LEU CB . 18567 1 404 . 1 1 97 97 LEU N N 15 121.924 0.3 . 1 . . . . 97 LEU N . 18567 1 405 . 1 1 98 98 ILE H H 1 7.17 0.02 . 1 . . . . 98 ILE H . 18567 1 406 . 1 1 98 98 ILE C C 13 177.198 0.3 . 1 . . . . 98 ILE C . 18567 1 407 . 1 1 98 98 ILE CA C 13 63.071 0.3 . 1 . . . . 98 ILE CA . 18567 1 408 . 1 1 98 98 ILE CB C 13 34.89 0.3 . 1 . . . . 98 ILE CB . 18567 1 409 . 1 1 98 98 ILE N N 15 117.792 0.3 . 1 . . . . 98 ILE N . 18567 1 410 . 1 1 99 99 TYR H H 1 8.678 0.02 . 1 . . . . 99 TYR H . 18567 1 411 . 1 1 99 99 TYR C C 13 179.278 0.3 . 1 . . . . 99 TYR C . 18567 1 412 . 1 1 99 99 TYR CA C 13 63.128 0.3 . 1 . . . . 99 TYR CA . 18567 1 413 . 1 1 99 99 TYR CB C 13 36.503 0.3 . 1 . . . . 99 TYR CB . 18567 1 414 . 1 1 99 99 TYR N N 15 118.375 0.3 . 1 . . . . 99 TYR N . 18567 1 415 . 1 1 100 100 GLY H H 1 8.414 0.02 . 1 . . . . 100 GLY H . 18567 1 416 . 1 1 100 100 GLY C C 13 175.722 0.3 . 1 . . . . 100 GLY C . 18567 1 417 . 1 1 100 100 GLY CA C 13 46.276 0.3 . 1 . . . . 100 GLY CA . 18567 1 418 . 1 1 100 100 GLY N N 15 104.597 0.3 . 1 . . . . 100 GLY N . 18567 1 419 . 1 1 101 101 LEU H H 1 7.76 0.02 . 1 . . . . 101 LEU H . 18567 1 420 . 1 1 101 101 LEU C C 13 178.37 0.3 . 1 . . . . 101 LEU C . 18567 1 421 . 1 1 101 101 LEU CA C 13 56.05 0.3 . 1 . . . . 101 LEU CA . 18567 1 422 . 1 1 101 101 LEU CB C 13 42.481 0.3 . 1 . . . . 101 LEU CB . 18567 1 423 . 1 1 101 101 LEU N N 15 121.169 0.3 . 1 . . . . 101 LEU N . 18567 1 424 . 1 1 102 102 LEU H H 1 7.472 0.02 . 1 . . . . 102 LEU H . 18567 1 425 . 1 1 102 102 LEU C C 13 176.025 0.3 . 1 . . . . 102 LEU C . 18567 1 426 . 1 1 102 102 LEU CA C 13 55.082 0.3 . 1 . . . . 102 LEU CA . 18567 1 427 . 1 1 102 102 LEU CB C 13 43.313 0.3 . 1 . . . . 102 LEU CB . 18567 1 428 . 1 1 102 102 LEU N N 15 115.881 0.3 . 1 . . . . 102 LEU N . 18567 1 429 . 1 1 103 103 SER H H 1 7.962 0.02 . 1 . . . . 103 SER H . 18567 1 430 . 1 1 103 103 SER C C 13 177.16 0.3 . 1 . . . . 103 SER C . 18567 1 431 . 1 1 103 103 SER CA C 13 61.265 0.3 . 1 . . . . 103 SER CA . 18567 1 432 . 1 1 103 103 SER CB C 13 64.34 0.3 . 1 . . . . 103 SER CB . 18567 1 433 . 1 1 103 103 SER N N 15 126.115 0.3 . 1 . . . . 103 SER N . 18567 1 434 . 1 1 104 104 ASP H H 1 8.988 0.02 . 1 . . . . 104 ASP H . 18567 1 435 . 1 1 104 104 ASP C C 13 177.689 0.3 . 1 . . . . 104 ASP C . 18567 1 436 . 1 1 104 104 ASP CA C 13 56.809 0.3 . 1 . . . . 104 ASP CA . 18567 1 437 . 1 1 104 104 ASP CB C 13 38.686 0.3 . 1 . . . . 104 ASP CB . 18567 1 438 . 1 1 104 104 ASP N N 15 119.77 0.3 . 1 . . . . 104 ASP N . 18567 1 439 . 1 1 105 105 GLU H H 1 7.964 0.02 . 1 . . . . 105 GLU H . 18567 1 440 . 1 1 105 105 GLU C C 13 178.257 0.3 . 1 . . . . 105 GLU C . 18567 1 441 . 1 1 105 105 GLU CA C 13 60.889 0.3 . 1 . . . . 105 GLU CA . 18567 1 442 . 1 1 105 105 GLU CB C 13 27.204 0.3 . 1 . . . . 105 GLU CB . 18567 1 443 . 1 1 105 105 GLU N N 15 123.658 0.3 . 1 . . . . 105 GLU N . 18567 1 444 . 1 1 106 106 PHE H H 1 7.906 0.02 . 1 . . . . 106 PHE H . 18567 1 445 . 1 1 106 106 PHE C C 13 178.597 0.3 . 1 . . . . 106 PHE C . 18567 1 446 . 1 1 106 106 PHE CA C 13 61.268 0.3 . 1 . . . . 106 PHE CA . 18567 1 447 . 1 1 106 106 PHE CB C 13 37.737 0.3 . 1 . . . . 106 PHE CB . 18567 1 448 . 1 1 106 106 PHE N N 15 118.409 0.3 . 1 . . . . 106 PHE N . 18567 1 449 . 1 1 107 107 LYS H H 1 7.694 0.02 . 1 . . . . 107 LYS H . 18567 1 450 . 1 1 107 107 LYS C C 13 176.933 0.3 . 1 . . . . 107 LYS C . 18567 1 451 . 1 1 107 107 LYS CA C 13 58.042 0.3 . 1 . . . . 107 LYS CA . 18567 1 452 . 1 1 107 107 LYS CB C 13 31.379 0.3 . 1 . . . . 107 LYS CB . 18567 1 453 . 1 1 107 107 LYS N N 15 119.416 0.3 . 1 . . . . 107 LYS N . 18567 1 454 . 1 1 108 108 ALA H H 1 7.477 0.02 . 1 . . . . 108 ALA H . 18567 1 455 . 1 1 108 108 ALA C C 13 176.214 0.3 . 1 . . . . 108 ALA C . 18567 1 456 . 1 1 108 108 ALA CA C 13 51.59 0.3 . 1 . . . . 108 ALA CA . 18567 1 457 . 1 1 108 108 ALA CB C 13 18.475 0.3 . 1 . . . . 108 ALA CB . 18567 1 458 . 1 1 108 108 ALA N N 15 120.329 0.3 . 1 . . . . 108 ALA N . 18567 1 459 . 1 1 109 109 GLY H H 1 7.488 0.02 . 1 . . . . 109 GLY H . 18567 1 460 . 1 1 109 109 GLY C C 13 173.642 0.3 . 1 . . . . 109 GLY C . 18567 1 461 . 1 1 109 109 GLY CA C 13 44.758 0.3 . 1 . . . . 109 GLY CA . 18567 1 462 . 1 1 109 109 GLY N N 15 104.704 0.3 . 1 . . . . 109 GLY N . 18567 1 463 . 1 1 110 110 LEU H H 1 7.805 0.02 . 1 . . . . 110 LEU H . 18567 1 464 . 1 1 110 110 LEU C C 13 174.323 0.3 . 1 . . . . 110 LEU C . 18567 1 465 . 1 1 110 110 LEU CA C 13 55.575 0.3 . 1 . . . . 110 LEU CA . 18567 1 466 . 1 1 110 110 LEU CB C 13 41.437 0.3 . 1 . . . . 110 LEU CB . 18567 1 467 . 1 1 110 110 LEU N N 15 123.173 0.3 . 1 . . . . 110 LEU N . 18567 1 468 . 1 1 111 111 HIS H H 1 9.452 0.02 . 1 . . . . 111 HIS H . 18567 1 469 . 1 1 111 111 HIS C C 13 174.474 0.3 . 1 . . . . 111 HIS C . 18567 1 470 . 1 1 111 111 HIS CA C 13 55.575 0.3 . 1 . . . . 111 HIS CA . 18567 1 471 . 1 1 111 111 HIS CB C 13 30.051 0.3 . 1 . . . . 111 HIS CB . 18567 1 472 . 1 1 111 111 HIS N N 15 124.289 0.3 . 1 . . . . 111 HIS N . 18567 1 473 . 1 1 112 112 ALA H H 1 7.9 0.02 . 1 . . . . 112 ALA H . 18567 1 474 . 1 1 112 112 ALA C C 13 173.831 0.3 . 1 . . . . 112 ALA C . 18567 1 475 . 1 1 112 112 ALA CA C 13 51.495 0.3 . 1 . . . . 112 ALA CA . 18567 1 476 . 1 1 112 112 ALA CB C 13 22.27 0.3 . 1 . . . . 112 ALA CB . 18567 1 477 . 1 1 112 112 ALA N N 15 119.264 0.3 . 1 . . . . 112 ALA N . 18567 1 478 . 1 1 113 113 LEU H H 1 8.694 0.02 . 1 . . . . 113 LEU H . 18567 1 479 . 1 1 113 113 LEU C C 13 175.586 0.3 . 1 . . . . 113 LEU C . 18567 1 480 . 1 1 113 113 LEU CA C 13 51.88 0.3 . 1 . . . . 113 LEU CA . 18567 1 481 . 1 1 113 113 LEU CB C 13 48.399 0.3 . 1 . . . . 113 LEU CB . 18567 1 482 . 1 1 113 113 LEU N N 15 120.243 0.3 . 1 . . . . 113 LEU N . 18567 1 483 . 1 1 114 114 ALA H H 1 8.302 0.02 . 1 . . . . 114 ALA H . 18567 1 484 . 1 1 114 114 ALA C C 13 176.857 0.3 . 1 . . . . 114 ALA C . 18567 1 485 . 1 1 114 114 ALA CA C 13 56.151 0.3 . 1 . . . . 114 ALA CA . 18567 1 486 . 1 1 114 114 ALA CB C 13 18.369 0.3 . 1 . . . . 114 ALA CB . 18567 1 487 . 1 1 114 114 ALA N N 15 118.869 0.3 . 1 . . . . 114 ALA N . 18567 1 488 . 1 1 115 115 MET H H 1 8.941 0.02 . 1 . . . . 115 MET H . 18567 1 489 . 1 1 115 115 MET C C 13 174.777 0.3 . 1 . . . . 115 MET C . 18567 1 490 . 1 1 115 115 MET CA C 13 54.531 0.3 . 1 . . . . 115 MET CA . 18567 1 491 . 1 1 115 115 MET CB C 13 36.883 0.3 . 1 . . . . 115 MET CB . 18567 1 492 . 1 1 115 115 MET N N 15 122.739 0.3 . 1 . . . . 115 MET N . 18567 1 493 . 1 1 116 116 THR H H 1 8.725 0.02 . 1 . . . . 116 THR H . 18567 1 494 . 1 1 116 116 THR C C 13 173.642 0.3 . 1 . . . . 116 THR C . 18567 1 495 . 1 1 116 116 THR CA C 13 61.363 0.3 . 1 . . . . 116 THR CA . 18567 1 496 . 1 1 116 116 THR CB C 13 69.808 0.3 . 1 . . . . 116 THR CB . 18567 1 497 . 1 1 116 116 THR N N 15 119.563 0.3 . 1 . . . . 116 THR N . 18567 1 498 . 1 1 117 117 THR H H 1 9.045 0.02 . 1 . . . . 117 THR H . 18567 1 499 . 1 1 117 117 THR C C 13 174.814 0.3 . 1 . . . . 117 THR C . 18567 1 500 . 1 1 117 117 THR CA C 13 58 0.3 . 1 . . . . 117 THR CA . 18567 1 501 . 1 1 117 117 THR CB C 13 69.144 0.3 . 1 . . . . 117 THR CB . 18567 1 502 . 1 1 117 117 THR N N 15 117.42 0.3 . 1 . . . . 117 THR N . 18567 1 503 . 1 1 118 118 LYS H H 1 8.604 0.02 . 1 . . . . 118 LYS H . 18567 1 504 . 1 1 118 118 LYS C C 13 175.117 0.3 . 1 . . . . 118 LYS C . 18567 1 505 . 1 1 118 118 LYS CA C 13 54.247 0.3 . 1 . . . . 118 LYS CA . 18567 1 506 . 1 1 118 118 LYS CB C 13 36.313 0.3 . 1 . . . . 118 LYS CB . 18567 1 507 . 1 1 118 118 LYS N N 15 125.33 0.3 . 1 . . . . 118 LYS N . 18567 1 508 . 1 1 119 119 THR H H 1 8.604 0.02 . 1 . . . . 119 THR H . 18567 1 509 . 1 1 119 119 THR C C 13 175.811 0.3 . 1 . . . . 119 THR C . 18567 1 510 . 1 1 119 119 THR CA C 13 58.801 0.3 . 1 . . . . 119 THR CA . 18567 1 511 . 1 1 119 119 THR CB C 13 67.056 0.3 . 1 . . . . 119 THR CB . 18567 1 512 . 1 1 119 119 THR N N 15 111.934 0.3 . 1 . . . . 119 THR N . 18567 1 513 . 1 1 120 120 PRO C C 13 176.29 0.3 . 1 . . . . 120 PRO C . 18567 1 514 . 1 1 121 121 ALA H H 1 7.703 0.02 . 1 . . . . 121 ALA H . 18567 1 515 . 1 1 121 121 ALA C C 13 177.803 0.3 . 1 . . . . 121 ALA C . 18567 1 516 . 1 1 121 121 ALA CA C 13 52.064 0.3 . 1 . . . . 121 ALA CA . 18567 1 517 . 1 1 121 121 ALA CB C 13 18.475 0.3 . 1 . . . . 121 ALA CB . 18567 1 518 . 1 1 121 121 ALA N N 15 116.789 0.3 . 1 . . . . 121 ALA N . 18567 1 519 . 1 1 122 122 GLU H H 1 7.518 0.02 . 1 . . . . 122 GLU H . 18567 1 520 . 1 1 122 122 GLU C C 13 175.344 0.3 . 1 . . . . 122 GLU C . 18567 1 521 . 1 1 122 122 GLU CA C 13 55.385 0.3 . 1 . . . . 122 GLU CA . 18567 1 522 . 1 1 122 122 GLU CB C 13 29.766 0.3 . 1 . . . . 122 GLU CB . 18567 1 523 . 1 1 122 122 GLU N N 15 119.118 0.3 . 1 . . . . 122 GLU N . 18567 1 524 . 1 1 123 123 GLN H H 1 7.825 0.02 . 1 . . . . 123 GLN H . 18567 1 525 . 1 1 123 123 GLN C C 13 181.273 0.3 . 1 . . . . 123 GLN C . 18567 1 526 . 1 1 123 123 GLN CA C 13 57.188 0.3 . 1 . . . . 123 GLN CA . 18567 1 527 . 1 1 123 123 GLN CB C 13 29.197 0.3 . 1 . . . . 123 GLN CB . 18567 1 528 . 1 1 123 123 GLN N N 15 125.396 0.3 . 1 . . . . 123 GLN N . 18567 1 stop_ save_