data_19908 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19908 _Entry.Title ; NMR resonance assignment of the archaeal ribosomal protein L7Ae bound to a 25 nt RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-11 _Entry.Accession_date 2014-04-11 _Entry.Last_release_date 2014-04-11 _Entry.Original_release_date 2014-04-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details '50 S ribosomal protein L7Ae from Methanocaldococcus jannaschii bound to 25 nt C/D-box mimic RNA' _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.ORCID _Entry_author.Entry_ID 1 Thomas Moschen . . . . 19908 2 Christoph Wunderlich . H. . . 19908 3 Christoph Kreutz . R. . . 19908 4 Martin Tollinger . . . . 19908 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Innsbruck' . 19908 2 . 'Center for Molecular Biosciences Innsbruck (CMBI)' . 19908 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19908 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 326 19908 '15N chemical shifts' 111 19908 '1H chemical shifts' 210 19908 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 . . 2019-07-12 . original BMRB . 19908 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19907 'NMR resonance assignment of the archaeal ribosomal protein L7Ae' 19908 PDB 1RA4 'L7Ae apo' 19908 PDB 1SDS 'L7Ae bound to H/ACA box RNA' 19908 stop_ save_ ############### # Citations # ############### save_ref1 _Citation.Sf_category citations _Citation.Sf_framecode ref1 _Citation.Entry_ID 19908 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25030110 _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of the archaeal ribosomal protein L7Ae in the apo form and bound to a 25 nt RNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 177 _Citation.Page_last 180 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Thomas Moschen . . . . 19908 1 2 Christoph Wunderlich . H. . . 19908 1 3 Christoph Kreutz . R. . . 19908 1 4 Martin Tollinger . . . . 19908 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19908 _Assembly.ID 1 _Assembly.Name 'L7Ae RNA complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'L7Ae bound to 25 nt C/D box mimic RNA' _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 L7Ae 1 $L7Ae_complex A . yes native no no . . . 19908 1 2 '25nt C/D box mimic' 2 $25_nt_C-D-box_RNA_mimic B . no native no no . . . 19908 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1SDS . . X-ray 1.80 . 'L7Ae protein bound to H/ACA box RNA' 19908 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_L7Ae_complex _Entity.Sf_category entity _Entity.Sf_framecode L7Ae_complex _Entity.Entry_ID 19908 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name L7Ae_complex _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 ; RGSHMAVYVKFKVPEEIQKE LLDAVAKAQKIKKGANEVTK AVERGIAKLVIIAEDVKPEE VVAHLPYLCEEKGIPYAYVA SKQDLGKAAGLEVAASSVAI INEGDAEELKVLIEKVNVLK Q ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -4R-3G-2S-1H1M2A3V4Y5V6K7F8K9V10P 11E12E13I14Q15K16E17L18L19D20A21V 22A23K24A25Q26K27I28K29K30G31A32N 33E34V35T36K37A38V39E40R41G42I43A 44K45L46V47I48I49A50E51D52V53K54P 55E56E57V58V59A60H61L62P63Y64L65C 66E67E68K69G70I71P72Y73A74Y75V76A 77S78K79Q80D81L82G83K84A85A86G87L 88E89V90A91A92S93S94V95A96I97I98N 99E100G101D102A103E104E105L106K107V 108L109I110E111K112V113N114V115L116K 117Q ; _Entity.Polymer_author_seq_details 'first 4 residues are left from cleavage with thrombin' _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment L7Ae _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13123.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 -3 ARG . 19908 1 2 -2 GLY . 19908 1 3 -1 SER . 19908 1 4 0 HIS . 19908 1 5 1 MET . 19908 1 6 2 ALA . 19908 1 7 3 VAL . 19908 1 8 4 TYR . 19908 1 9 5 VAL . 19908 1 10 6 LYS . 19908 1 11 7 PHE . 19908 1 12 8 LYS . 19908 1 13 9 VAL . 19908 1 14 10 PRO . 19908 1 15 11 GLU . 19908 1 16 12 GLU . 19908 1 17 13 ILE . 19908 1 18 14 GLN . 19908 1 19 15 LYS . 19908 1 20 16 GLU . 19908 1 21 17 LEU . 19908 1 22 18 LEU . 19908 1 23 19 ASP . 19908 1 24 20 ALA . 19908 1 25 21 VAL . 19908 1 26 22 ALA . 19908 1 27 23 LYS . 19908 1 28 24 ALA . 19908 1 29 25 GLN . 19908 1 30 26 LYS . 19908 1 31 27 ILE . 19908 1 32 28 LYS . 19908 1 33 29 LYS . 19908 1 34 30 GLY . 19908 1 35 31 ALA . 19908 1 36 32 ASN . 19908 1 37 33 GLU . 19908 1 38 34 VAL . 19908 1 39 35 THR . 19908 1 40 36 LYS . 19908 1 41 37 ALA . 19908 1 42 38 VAL . 19908 1 43 39 GLU . 19908 1 44 40 ARG . 19908 1 45 41 GLY . 19908 1 46 42 ILE . 19908 1 47 43 ALA . 19908 1 48 44 LYS . 19908 1 49 45 LEU . 19908 1 50 46 VAL . 19908 1 51 47 ILE . 19908 1 52 48 ILE . 19908 1 53 49 ALA . 19908 1 54 50 GLU . 19908 1 55 51 ASP . 19908 1 56 52 VAL . 19908 1 57 53 LYS . 19908 1 58 54 PRO . 19908 1 59 55 GLU . 19908 1 60 56 GLU . 19908 1 61 57 VAL . 19908 1 62 58 VAL . 19908 1 63 59 ALA . 19908 1 64 60 HIS . 19908 1 65 61 LEU . 19908 1 66 62 PRO . 19908 1 67 63 TYR . 19908 1 68 64 LEU . 19908 1 69 65 CYS . 19908 1 70 66 GLU . 19908 1 71 67 GLU . 19908 1 72 68 LYS . 19908 1 73 69 GLY . 19908 1 74 70 ILE . 19908 1 75 71 PRO . 19908 1 76 72 TYR . 19908 1 77 73 ALA . 19908 1 78 74 TYR . 19908 1 79 75 VAL . 19908 1 80 76 ALA . 19908 1 81 77 SER . 19908 1 82 78 LYS . 19908 1 83 79 GLN . 19908 1 84 80 ASP . 19908 1 85 81 LEU . 19908 1 86 82 GLY . 19908 1 87 83 LYS . 19908 1 88 84 ALA . 19908 1 89 85 ALA . 19908 1 90 86 GLY . 19908 1 91 87 LEU . 19908 1 92 88 GLU . 19908 1 93 89 VAL . 19908 1 94 90 ALA . 19908 1 95 91 ALA . 19908 1 96 92 SER . 19908 1 97 93 SER . 19908 1 98 94 VAL . 19908 1 99 95 ALA . 19908 1 100 96 ILE . 19908 1 101 97 ILE . 19908 1 102 98 ASN . 19908 1 103 99 GLU . 19908 1 104 100 GLY . 19908 1 105 101 ASP . 19908 1 106 102 ALA . 19908 1 107 103 GLU . 19908 1 108 104 GLU . 19908 1 109 105 LEU . 19908 1 110 106 LYS . 19908 1 111 107 VAL . 19908 1 112 108 LEU . 19908 1 113 109 ILE . 19908 1 114 110 GLU . 19908 1 115 111 LYS . 19908 1 116 112 VAL . 19908 1 117 113 ASN . 19908 1 118 114 VAL . 19908 1 119 115 LEU . 19908 1 120 116 LYS . 19908 1 121 117 GLN . 19908 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 . ARG 1 1 19908 1 . GLY 2 2 19908 1 . SER 3 3 19908 1 . HIS 4 4 19908 1 . MET 5 5 19908 1 . ALA 6 6 19908 1 . VAL 7 7 19908 1 . TYR 8 8 19908 1 . VAL 9 9 19908 1 . LYS 10 10 19908 1 . PHE 11 11 19908 1 . LYS 12 12 19908 1 . VAL 13 13 19908 1 . PRO 14 14 19908 1 . GLU 15 15 19908 1 . GLU 16 16 19908 1 . ILE 17 17 19908 1 . GLN 18 18 19908 1 . LYS 19 19 19908 1 . GLU 20 20 19908 1 . LEU 21 21 19908 1 . LEU 22 22 19908 1 . ASP 23 23 19908 1 . ALA 24 24 19908 1 . VAL 25 25 19908 1 . ALA 26 26 19908 1 . LYS 27 27 19908 1 . ALA 28 28 19908 1 . GLN 29 29 19908 1 . LYS 30 30 19908 1 . ILE 31 31 19908 1 . LYS 32 32 19908 1 . LYS 33 33 19908 1 . GLY 34 34 19908 1 . ALA 35 35 19908 1 . ASN 36 36 19908 1 . GLU 37 37 19908 1 . VAL 38 38 19908 1 . THR 39 39 19908 1 . LYS 40 40 19908 1 . ALA 41 41 19908 1 . VAL 42 42 19908 1 . GLU 43 43 19908 1 . ARG 44 44 19908 1 . GLY 45 45 19908 1 . ILE 46 46 19908 1 . ALA 47 47 19908 1 . LYS 48 48 19908 1 . LEU 49 49 19908 1 . VAL 50 50 19908 1 . ILE 51 51 19908 1 . ILE 52 52 19908 1 . ALA 53 53 19908 1 . GLU 54 54 19908 1 . ASP 55 55 19908 1 . VAL 56 56 19908 1 . LYS 57 57 19908 1 . PRO 58 58 19908 1 . GLU 59 59 19908 1 . GLU 60 60 19908 1 . VAL 61 61 19908 1 . VAL 62 62 19908 1 . ALA 63 63 19908 1 . HIS 64 64 19908 1 . LEU 65 65 19908 1 . PRO 66 66 19908 1 . TYR 67 67 19908 1 . LEU 68 68 19908 1 . CYS 69 69 19908 1 . GLU 70 70 19908 1 . GLU 71 71 19908 1 . LYS 72 72 19908 1 . GLY 73 73 19908 1 . ILE 74 74 19908 1 . PRO 75 75 19908 1 . TYR 76 76 19908 1 . ALA 77 77 19908 1 . TYR 78 78 19908 1 . VAL 79 79 19908 1 . ALA 80 80 19908 1 . SER 81 81 19908 1 . LYS 82 82 19908 1 . GLN 83 83 19908 1 . ASP 84 84 19908 1 . LEU 85 85 19908 1 . GLY 86 86 19908 1 . LYS 87 87 19908 1 . ALA 88 88 19908 1 . ALA 89 89 19908 1 . GLY 90 90 19908 1 . LEU 91 91 19908 1 . GLU 92 92 19908 1 . VAL 93 93 19908 1 . ALA 94 94 19908 1 . ALA 95 95 19908 1 . SER 96 96 19908 1 . SER 97 97 19908 1 . VAL 98 98 19908 1 . ALA 99 99 19908 1 . ILE 100 100 19908 1 . ILE 101 101 19908 1 . ASN 102 102 19908 1 . GLU 103 103 19908 1 . GLY 104 104 19908 1 . ASP 105 105 19908 1 . ALA 106 106 19908 1 . GLU 107 107 19908 1 . GLU 108 108 19908 1 . LEU 109 109 19908 1 . LYS 110 110 19908 1 . VAL 111 111 19908 1 . LEU 112 112 19908 1 . ILE 113 113 19908 1 . GLU 114 114 19908 1 . LYS 115 115 19908 1 . VAL 116 116 19908 1 . ASN 117 117 19908 1 . VAL 118 118 19908 1 . LEU 119 119 19908 1 . LYS 120 120 19908 1 . GLN 121 121 19908 1 stop_ save_ save_25_nt_C-D-box_RNA_mimic _Entity.Sf_category entity _Entity.Sf_framecode 25_nt_C-D-box_RNA_mimic _Entity.Entry_ID 19908 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 25_nt_C/D-box_RNA_mimic _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCUCUGACCGAAAGGCGUGA UGAGC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '25 nucleotide C/D box mimic k-turn RNA' _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 25 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8075.93 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 G . 19908 2 2 2 C . 19908 2 3 3 U . 19908 2 4 4 C . 19908 2 5 5 U . 19908 2 6 6 G . 19908 2 7 7 A . 19908 2 8 8 C . 19908 2 9 9 C . 19908 2 10 10 G . 19908 2 11 11 A . 19908 2 12 12 A . 19908 2 13 13 A . 19908 2 14 14 G . 19908 2 15 15 G . 19908 2 16 16 C . 19908 2 17 17 G . 19908 2 18 18 U . 19908 2 19 19 G . 19908 2 20 20 A . 19908 2 21 21 U . 19908 2 22 22 G . 19908 2 23 23 A . 19908 2 24 24 G . 19908 2 25 25 C . 19908 2 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 . G 1 1 19908 2 . C 2 2 19908 2 . U 3 3 19908 2 . C 4 4 19908 2 . U 5 5 19908 2 . G 6 6 19908 2 . A 7 7 19908 2 . C 8 8 19908 2 . C 9 9 19908 2 . G 10 10 19908 2 . A 11 11 19908 2 . A 12 12 19908 2 . A 13 13 19908 2 . G 14 14 19908 2 . G 15 15 19908 2 . C 16 16 19908 2 . G 17 17 19908 2 . U 18 18 19908 2 . G 19 19 19908 2 . A 20 20 19908 2 . U 21 21 19908 2 . G 22 22 19908 2 . A 23 23 19908 2 . G 24 24 19908 2 . C 25 25 19908 2 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 19908 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 2 $25_nt_C-D-box_RNA_mimic . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 19908 1 2 1 $L7Ae_complex . 2190 plasmid . 'Methanococcus jannaschii' euryarchaeotes . . Archaea . Methanococcus jannaschii . . . . . . . . . . . . . 19908 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 19908 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 2 $25_nt_C-D-box_RNA_mimic . 'chemical synthesis' . . . . . . . . . . . . . . . . 19908 1 2 1 $L7Ae_complex . 'recombinant technology' . . . . . . . . . . . . . . . . 19908 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 19908 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 10 mM sodium cacodylate 50 mM sodium chloride ; _Sample.Aggregate_sample_number . _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 L7Ae_complex '[U-100% 13C; U-100% 15N]' . . 1 $L7Ae_complex . . 1 . . mM . . . . 19908 1 2 '25 nt C/D-box RNA mimic' 'natural abundance' . . 2 $25_nt_C-D-box_RNA_mimic . . 1 . . mM . . . . 19908 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19908 1 4 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 19908 1 5 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19908 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19908 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 19908 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 19908 1 pressure 1 . atm 19908 1 temperature 273 . K 19908 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 19908 _Software.ID 1 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19908 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19908 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19908 _Software.ID 2 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19908 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19908 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19908 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19908 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19908 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19908 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'DD2 console' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _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 19908 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Avance II+' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19908 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Unity . 500 'DD2 console' . . 19908 1 2 spectrometer_2 Bruker Avance . 600 'Avance II+' . . 19908 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 19908 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19908 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19908 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19908 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19908 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19908 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19908 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19908 1 8 '3D 15N-TOCSY-HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19908 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 19908 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 19908 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19908 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19908 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_L7Ae_complex _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_L7Ae_complex _Assigned_chem_shift_list.Entry_ID 19908 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19908 1 2 '2D 1H-13C HSQC' . . . 19908 1 3 '3D HNCO' . . . 19908 1 4 '3D HNCA' . . . 19908 1 5 '3D HNCACB' . . . 19908 1 6 '3D CBCA(CO)NH' . . . 19908 1 7 '3D HN(CO)CA' . . . 19908 1 8 '3D 15N-TOCSY-HSQC' . . . 19908 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 MET H H 1 8.193 0.010 . 1 . . . . . 1 Met H . 19908 1 2 . 1 1 5 5 MET HA H 1 4.776 0.000 . 1 . . . . . 1 Met HA . 19908 1 3 . 1 1 5 5 MET C C 13 175.156 0.000 . 1 . . . . . 1 Met C . 19908 1 4 . 1 1 5 5 MET CA C 13 54.859 0.000 . 1 . . . . . 1 Met CA . 19908 1 5 . 1 1 5 5 MET CB C 13 33.783 0.000 . 1 . . . . . 1 Met CB . 19908 1 6 . 1 1 5 5 MET N N 15 122.791 0.021 . 1 . . . . . 1 Met N . 19908 1 7 . 1 1 6 6 ALA H H 1 8.392 0.009 . 1 . . . . . 2 Ala H . 19908 1 8 . 1 1 6 6 ALA HA H 1 4.774 0.000 . 1 . . . . . 2 Ala HA . 19908 1 9 . 1 1 6 6 ALA C C 13 179.017 0.000 . 1 . . . . . 2 Ala C . 19908 1 10 . 1 1 6 6 ALA CA C 13 52.120 0.000 . 1 . . . . . 2 Ala CA . 19908 1 11 . 1 1 6 6 ALA CB C 13 19.611 0.000 . 1 . . . . . 2 Ala CB . 19908 1 12 . 1 1 6 6 ALA N N 15 125.982 0.014 . 1 . . . . . 2 Ala N . 19908 1 13 . 1 1 7 7 VAL H H 1 8.789 0.006 . 1 . . . . . 3 Val H . 19908 1 14 . 1 1 7 7 VAL HA H 1 3.770 0.000 . 1 . . . . . 3 Val HA . 19908 1 15 . 1 1 7 7 VAL CA C 13 64.742 0.006 . 1 . . . . . 3 Val CA . 19908 1 16 . 1 1 7 7 VAL CB C 13 31.568 0.000 . 1 . . . . . 3 Val CB . 19908 1 17 . 1 1 7 7 VAL N N 15 120.708 0.005 . 1 . . . . . 3 Val N . 19908 1 18 . 1 1 8 8 TYR C C 13 174.396 0.000 . 1 . . . . . 4 Tyr C . 19908 1 19 . 1 1 8 8 TYR CA C 13 57.100 0.000 . 1 . . . . . 4 Tyr CA . 19908 1 20 . 1 1 8 8 TYR CB C 13 38.070 0.000 . 1 . . . . . 4 Tyr CB . 19908 1 21 . 1 1 9 9 VAL H H 1 7.208 0.005 . 1 . . . . . 5 Val H . 19908 1 22 . 1 1 9 9 VAL HA H 1 3.085 0.000 . 1 . . . . . 5 Val HA . 19908 1 23 . 1 1 9 9 VAL C C 13 174.481 0.000 . 1 . . . . . 5 Val C . 19908 1 24 . 1 1 9 9 VAL CA C 13 62.085 0.006 . 1 . . . . . 5 Val CA . 19908 1 25 . 1 1 9 9 VAL CB C 13 29.823 0.000 . 1 . . . . . 5 Val CB . 19908 1 26 . 1 1 9 9 VAL N N 15 126.316 0.025 . 1 . . . . . 5 Val N . 19908 1 27 . 1 1 10 10 LYS H H 1 7.661 0.005 . 1 . . . . . 6 Lys H . 19908 1 28 . 1 1 10 10 LYS C C 13 175.387 0.000 . 1 . . . . . 6 Lys C . 19908 1 29 . 1 1 10 10 LYS CA C 13 56.748 0.041 . 1 . . . . . 6 Lys CA . 19908 1 30 . 1 1 10 10 LYS CB C 13 32.684 0.000 . 1 . . . . . 6 Lys CB . 19908 1 31 . 1 1 10 10 LYS N N 15 122.306 0.062 . 1 . . . . . 6 Lys N . 19908 1 32 . 1 1 11 11 PHE H H 1 6.862 0.014 . 1 . . . . . 7 Phe H . 19908 1 33 . 1 1 11 11 PHE HA H 1 4.661 0.000 . 1 . . . . . 7 Phe HA . 19908 1 34 . 1 1 11 11 PHE C C 13 172.188 0.000 . 1 . . . . . 7 Phe C . 19908 1 35 . 1 1 11 11 PHE CA C 13 55.037 0.000 . 1 . . . . . 7 Phe CA . 19908 1 36 . 1 1 11 11 PHE CB C 13 39.419 0.000 . 1 . . . . . 7 Phe CB . 19908 1 37 . 1 1 11 11 PHE N N 15 112.417 0.021 . 1 . . . . . 7 Phe N . 19908 1 38 . 1 1 12 12 LYS H H 1 8.467 0.008 . 1 . . . . . 8 Lys H . 19908 1 39 . 1 1 12 12 LYS HA H 1 4.409 0.000 . 1 . . . . . 8 Lys HA . 19908 1 40 . 1 1 12 12 LYS C C 13 176.082 0.000 . 1 . . . . . 8 Lys C . 19908 1 41 . 1 1 12 12 LYS CA C 13 54.511 0.006 . 1 . . . . . 8 Lys CA . 19908 1 42 . 1 1 12 12 LYS CB C 13 33.003 0.000 . 1 . . . . . 8 Lys CB . 19908 1 43 . 1 1 12 12 LYS N N 15 118.731 0.018 . 1 . . . . . 8 Lys N . 19908 1 44 . 1 1 13 13 VAL H H 1 9.183 0.011 . 1 . . . . . 9 Val H . 19908 1 45 . 1 1 13 13 VAL HA H 1 4.423 0.000 . 1 . . . . . 9 Val HA . 19908 1 46 . 1 1 13 13 VAL CA C 13 59.234 0.004 . 1 . . . . . 9 Val CA . 19908 1 47 . 1 1 13 13 VAL CB C 13 32.472 0.000 . 1 . . . . . 9 Val CB . 19908 1 48 . 1 1 13 13 VAL N N 15 127.150 0.006 . 1 . . . . . 9 Val N . 19908 1 49 . 1 1 14 14 PRO C C 13 177.781 0.000 . 1 . . . . . 10 Pro C . 19908 1 50 . 1 1 14 14 PRO CA C 13 63.239 0.000 . 1 . . . . . 10 Pro CA . 19908 1 51 . 1 1 14 14 PRO CB C 13 33.008 0.000 . 1 . . . . . 10 Pro CB . 19908 1 52 . 1 1 15 15 GLU H H 1 9.404 0.005 . 1 . . . . . 11 Glu H . 19908 1 53 . 1 1 15 15 GLU HA H 1 4.761 0.000 . 1 . . . . . 11 Glu HA . 19908 1 54 . 1 1 15 15 GLU C C 13 177.963 0.000 . 1 . . . . . 11 Glu C . 19908 1 55 . 1 1 15 15 GLU CA C 13 61.225 0.000 . 1 . . . . . 11 Glu CA . 19908 1 56 . 1 1 15 15 GLU CB C 13 29.434 0.000 . 1 . . . . . 11 Glu CB . 19908 1 57 . 1 1 15 15 GLU N N 15 125.510 0.004 . 1 . . . . . 11 Glu N . 19908 1 58 . 1 1 16 16 GLU H H 1 9.696 0.012 . 1 . . . . . 12 Glu H . 19908 1 59 . 1 1 16 16 GLU HA H 1 4.769 0.000 . 1 . . . . . 12 Glu HA . 19908 1 60 . 1 1 16 16 GLU C C 13 179.045 0.000 . 1 . . . . . 12 Glu C . 19908 1 61 . 1 1 16 16 GLU CA C 13 60.025 0.000 . 1 . . . . . 12 Glu CA . 19908 1 62 . 1 1 16 16 GLU CB C 13 28.405 0.000 . 1 . . . . . 12 Glu CB . 19908 1 63 . 1 1 16 16 GLU N N 15 117.912 0.018 . 1 . . . . . 12 Glu N . 19908 1 64 . 1 1 17 17 ILE H H 1 6.970 0.008 . 1 . . . . . 13 Ile H . 19908 1 65 . 1 1 17 17 ILE HA H 1 4.762 0.000 . 1 . . . . . 13 Ile HA . 19908 1 66 . 1 1 17 17 ILE C C 13 177.829 0.000 . 1 . . . . . 13 Ile C . 19908 1 67 . 1 1 17 17 ILE CA C 13 62.985 0.000 . 1 . . . . . 13 Ile CA . 19908 1 68 . 1 1 17 17 ILE CB C 13 36.957 0.000 . 1 . . . . . 13 Ile CB . 19908 1 69 . 1 1 17 17 ILE N N 15 118.236 0.007 . 1 . . . . . 13 Ile N . 19908 1 70 . 1 1 18 18 GLN H H 1 8.176 0.003 . 1 . . . . . 14 Gln H . 19908 1 71 . 1 1 18 18 GLN C C 13 178.054 0.000 . 1 . . . . . 14 Gln C . 19908 1 72 . 1 1 18 18 GLN CA C 13 60.778 0.000 . 1 . . . . . 14 Gln CA . 19908 1 73 . 1 1 18 18 GLN CB C 13 26.955 0.000 . 1 . . . . . 14 Gln CB . 19908 1 74 . 1 1 18 18 GLN N N 15 121.408 0.003 . 1 . . . . . 14 Gln N . 19908 1 75 . 1 1 19 19 LYS H H 1 7.808 0.005 . 1 . . . . . 15 Lys H . 19908 1 76 . 1 1 19 19 LYS C C 13 178.788 0.000 . 1 . . . . . 15 Lys C . 19908 1 77 . 1 1 19 19 LYS CA C 13 59.818 0.000 . 1 . . . . . 15 Lys CA . 19908 1 78 . 1 1 19 19 LYS CB C 13 31.797 0.000 . 1 . . . . . 15 Lys CB . 19908 1 79 . 1 1 19 19 LYS N N 15 116.788 0.009 . 1 . . . . . 15 Lys N . 19908 1 80 . 1 1 20 20 GLU H H 1 7.076 0.008 . 1 . . . . . 16 Glu H . 19908 1 81 . 1 1 20 20 GLU HA H 1 4.037 0.000 . 1 . . . . . 16 Glu HA . 19908 1 82 . 1 1 20 20 GLU C C 13 180.052 0.000 . 1 . . . . . 16 Glu C . 19908 1 83 . 1 1 20 20 GLU CA C 13 59.674 0.004 . 1 . . . . . 16 Glu CA . 19908 1 84 . 1 1 20 20 GLU CB C 13 29.970 0.000 . 1 . . . . . 16 Glu CB . 19908 1 85 . 1 1 20 20 GLU N N 15 118.805 0.057 . 1 . . . . . 16 Glu N . 19908 1 86 . 1 1 21 21 LEU H H 1 8.473 0.009 . 1 . . . . . 17 Leu H . 19908 1 87 . 1 1 21 21 LEU HA H 1 3.873 0.000 . 1 . . . . . 17 Leu HA . 19908 1 88 . 1 1 21 21 LEU C C 13 179.347 0.000 . 1 . . . . . 17 Leu C . 19908 1 89 . 1 1 21 21 LEU CA C 13 58.226 0.020 . 1 . . . . . 17 Leu CA . 19908 1 90 . 1 1 21 21 LEU CB C 13 41.529 0.000 . 1 . . . . . 17 Leu CB . 19908 1 91 . 1 1 21 21 LEU N N 15 122.054 0.035 . 1 . . . . . 17 Leu N . 19908 1 92 . 1 1 22 22 LEU H H 1 7.746 0.010 . 1 . . . . . 18 Leu H . 19908 1 93 . 1 1 22 22 LEU HA H 1 3.996 0.000 . 1 . . . . . 18 Leu HA . 19908 1 94 . 1 1 22 22 LEU C C 13 179.716 0.000 . 1 . . . . . 18 Leu C . 19908 1 95 . 1 1 22 22 LEU CA C 13 58.243 0.006 . 1 . . . . . 18 Leu CA . 19908 1 96 . 1 1 22 22 LEU CB C 13 41.141 0.000 . 1 . . . . . 18 Leu CB . 19908 1 97 . 1 1 22 22 LEU N N 15 118.563 0.036 . 1 . . . . . 18 Leu N . 19908 1 98 . 1 1 23 23 ASP H H 1 8.152 0.005 . 1 . . . . . 19 Asp H . 19908 1 99 . 1 1 23 23 ASP HA H 1 4.357 0.000 . 1 . . . . . 19 Asp HA . 19908 1 100 . 1 1 23 23 ASP C C 13 177.919 0.000 . 1 . . . . . 19 Asp C . 19908 1 101 . 1 1 23 23 ASP CA C 13 57.150 0.000 . 1 . . . . . 19 Asp CA . 19908 1 102 . 1 1 23 23 ASP CB C 13 40.651 0.000 . 1 . . . . . 19 Asp CB . 19908 1 103 . 1 1 23 23 ASP N N 15 120.165 0.058 . 1 . . . . . 19 Asp N . 19908 1 104 . 1 1 24 24 ALA H H 1 7.888 0.009 . 1 . . . . . 20 Ala H . 19908 1 105 . 1 1 24 24 ALA HA H 1 3.966 0.000 . 1 . . . . . 20 Ala HA . 19908 1 106 . 1 1 24 24 ALA C C 13 180.514 0.000 . 1 . . . . . 20 Ala C . 19908 1 107 . 1 1 24 24 ALA CA C 13 54.832 0.001 . 1 . . . . . 20 Ala CA . 19908 1 108 . 1 1 24 24 ALA CB C 13 16.860 0.000 . 1 . . . . . 20 Ala CB . 19908 1 109 . 1 1 24 24 ALA N N 15 121.448 0.088 . 1 . . . . . 20 Ala N . 19908 1 110 . 1 1 25 25 VAL H H 1 7.679 0.002 . 1 . . . . . 21 Val H . 19908 1 111 . 1 1 25 25 VAL HA H 1 3.147 0.000 . 1 . . . . . 21 Val HA . 19908 1 112 . 1 1 25 25 VAL C C 13 177.036 0.000 . 1 . . . . . 21 Val C . 19908 1 113 . 1 1 25 25 VAL CA C 13 67.082 0.041 . 1 . . . . . 21 Val CA . 19908 1 114 . 1 1 25 25 VAL CB C 13 31.521 0.000 . 1 . . . . . 21 Val CB . 19908 1 115 . 1 1 25 25 VAL N N 15 118.204 0.111 . 1 . . . . . 21 Val N . 19908 1 116 . 1 1 26 26 ALA H H 1 7.805 0.005 . 1 . . . . . 22 Ala H . 19908 1 117 . 1 1 26 26 ALA HA H 1 4.236 0.000 . 1 . . . . . 22 Ala HA . 19908 1 118 . 1 1 26 26 ALA C C 13 179.400 0.000 . 1 . . . . . 22 Ala C . 19908 1 119 . 1 1 26 26 ALA CA C 13 54.732 0.031 . 1 . . . . . 22 Ala CA . 19908 1 120 . 1 1 26 26 ALA CB C 13 18.449 0.028 . 1 . . . . . 22 Ala CB . 19908 1 121 . 1 1 26 26 ALA N N 15 121.208 0.066 . 1 . . . . . 22 Ala N . 19908 1 122 . 1 1 27 27 LYS H H 1 7.655 0.003 . 1 . . . . . 23 Lys H . 19908 1 123 . 1 1 27 27 LYS HA H 1 4.326 0.000 . 1 . . . . . 23 Lys HA . 19908 1 124 . 1 1 27 27 LYS C C 13 175.707 0.000 . 1 . . . . . 23 Lys C . 19908 1 125 . 1 1 27 27 LYS CA C 13 55.573 0.009 . 1 . . . . . 23 Lys CA . 19908 1 126 . 1 1 27 27 LYS CB C 13 32.918 0.000 . 1 . . . . . 23 Lys CB . 19908 1 127 . 1 1 27 27 LYS N N 15 113.979 0.025 . 1 . . . . . 23 Lys N . 19908 1 128 . 1 1 28 28 ALA H H 1 7.165 0.005 . 1 . . . . . 24 Ala H . 19908 1 129 . 1 1 28 28 ALA HA H 1 4.010 0.000 . 1 . . . . . 24 Ala HA . 19908 1 130 . 1 1 28 28 ALA C C 13 177.195 0.000 . 1 . . . . . 24 Ala C . 19908 1 131 . 1 1 28 28 ALA CA C 13 52.989 0.020 . 1 . . . . . 24 Ala CA . 19908 1 132 . 1 1 28 28 ALA CB C 13 19.252 0.000 . 1 . . . . . 24 Ala CB . 19908 1 133 . 1 1 28 28 ALA N N 15 122.755 0.006 . 1 . . . . . 24 Ala N . 19908 1 134 . 1 1 29 29 GLN H H 1 7.542 0.001 . 1 . . . . . 25 Gln H . 19908 1 135 . 1 1 29 29 GLN HA H 1 4.218 0.000 . 1 . . . . . 25 Gln HA . 19908 1 136 . 1 1 29 29 GLN C C 13 176.855 0.000 . 1 . . . . . 25 Gln C . 19908 1 137 . 1 1 29 29 GLN CA C 13 57.406 0.007 . 1 . . . . . 25 Gln CA . 19908 1 138 . 1 1 29 29 GLN CB C 13 29.709 0.000 . 1 . . . . . 25 Gln CB . 19908 1 139 . 1 1 29 29 GLN N N 15 120.100 0.096 . 1 . . . . . 25 Gln N . 19908 1 140 . 1 1 30 30 LYS H H 1 8.257 0.009 . 1 . . . . . 26 Lys H . 19908 1 141 . 1 1 30 30 LYS HA H 1 4.782 0.000 . 1 . . . . . 26 Lys HA . 19908 1 142 . 1 1 30 30 LYS C C 13 175.390 0.000 . 1 . . . . . 26 Lys C . 19908 1 143 . 1 1 30 30 LYS CA C 13 56.326 0.000 . 1 . . . . . 26 Lys CA . 19908 1 144 . 1 1 30 30 LYS CB C 13 35.958 0.000 . 1 . . . . . 26 Lys CB . 19908 1 145 . 1 1 30 30 LYS N N 15 117.056 0.002 . 1 . . . . . 26 Lys N . 19908 1 146 . 1 1 31 31 ILE H H 1 9.088 0.010 . 1 . . . . . 27 Ile H . 19908 1 147 . 1 1 31 31 ILE HA H 1 5.220 0.000 . 1 . . . . . 27 Ile HA . 19908 1 148 . 1 1 31 31 ILE C C 13 174.518 0.000 . 1 . . . . . 27 Ile C . 19908 1 149 . 1 1 31 31 ILE CA C 13 59.432 0.006 . 1 . . . . . 27 Ile CA . 19908 1 150 . 1 1 31 31 ILE CB C 13 42.103 0.000 . 1 . . . . . 27 Ile CB . 19908 1 151 . 1 1 31 31 ILE N N 15 122.654 0.057 . 1 . . . . . 27 Ile N . 19908 1 152 . 1 1 32 32 LYS H H 1 8.712 0.013 . 1 . . . . . 28 Lys H . 19908 1 153 . 1 1 32 32 LYS HA H 1 4.883 0.000 . 1 . . . . . 28 Lys HA . 19908 1 154 . 1 1 32 32 LYS C C 13 174.645 0.000 . 1 . . . . . 28 Lys C . 19908 1 155 . 1 1 32 32 LYS CA C 13 53.130 0.000 . 1 . . . . . 28 Lys CA . 19908 1 156 . 1 1 32 32 LYS N N 15 117.639 0.006 . 1 . . . . . 28 Lys N . 19908 1 157 . 1 1 33 33 LYS H H 1 9.544 0.006 . 1 . . . . . 29 Lys H . 19908 1 158 . 1 1 33 33 LYS HA H 1 4.621 0.000 . 1 . . . . . 29 Lys HA . 19908 1 159 . 1 1 33 33 LYS C C 13 173.016 0.000 . 1 . . . . . 29 Lys C . 19908 1 160 . 1 1 33 33 LYS CA C 13 55.044 0.041 . 1 . . . . . 29 Lys CA . 19908 1 161 . 1 1 33 33 LYS CB C 13 34.074 0.000 . 1 . . . . . 29 Lys CB . 19908 1 162 . 1 1 33 33 LYS N N 15 122.094 0.021 . 1 . . . . . 29 Lys N . 19908 1 163 . 1 1 34 34 GLY H H 1 7.367 0.014 . 1 . . . . . 30 Gly H . 19908 1 164 . 1 1 34 34 GLY HA2 H 1 3.891 0.000 . 1 . . . . . 30 Gly HA2 . 19908 1 165 . 1 1 34 34 GLY HA3 H 1 4.162 0.000 . 1 . . . . . 30 Gly HA3 . 19908 1 166 . 1 1 34 34 GLY C C 13 174.334 0.000 . 1 . . . . . 30 Gly C . 19908 1 167 . 1 1 34 34 GLY CA C 13 42.584 0.000 . 1 . . . . . 30 Gly CA . 19908 1 168 . 1 1 34 34 GLY N N 15 107.899 0.016 . 1 . . . . . 30 Gly N . 19908 1 169 . 1 1 35 35 ALA H H 1 9.117 0.005 . 1 . . . . . 31 Ala H . 19908 1 170 . 1 1 35 35 ALA C C 13 181.133 0.000 . 1 . . . . . 31 Ala C . 19908 1 171 . 1 1 35 35 ALA CA C 13 56.034 0.000 . 1 . . . . . 31 Ala CA . 19908 1 172 . 1 1 35 35 ALA CB C 13 18.483 0.000 . 1 . . . . . 31 Ala CB . 19908 1 173 . 1 1 35 35 ALA N N 15 123.925 0.077 . 1 . . . . . 31 Ala N . 19908 1 174 . 1 1 36 36 ASN H H 1 8.877 0.004 . 1 . . . . . 32 Asn H . 19908 1 175 . 1 1 36 36 ASN HA H 1 4.583 0.000 . 1 . . . . . 32 Asn HA . 19908 1 176 . 1 1 36 36 ASN C C 13 177.908 0.000 . 1 . . . . . 32 Asn C . 19908 1 177 . 1 1 36 36 ASN CA C 13 56.792 0.014 . 1 . . . . . 32 Asn CA . 19908 1 178 . 1 1 36 36 ASN CB C 13 38.241 0.000 . 1 . . . . . 32 Asn CB . 19908 1 179 . 1 1 36 36 ASN N N 15 120.224 0.007 . 1 . . . . . 32 Asn N . 19908 1 180 . 1 1 37 37 GLU H H 1 8.574 0.003 . 1 . . . . . 33 Glu H . 19908 1 181 . 1 1 37 37 GLU HA H 1 4.052 0.000 . 1 . . . . . 33 Glu HA . 19908 1 182 . 1 1 37 37 GLU C C 13 180.155 0.000 . 1 . . . . . 33 Glu C . 19908 1 183 . 1 1 37 37 GLU CA C 13 60.079 0.000 . 1 . . . . . 33 Glu CA . 19908 1 184 . 1 1 37 37 GLU CB C 13 30.499 0.000 . 1 . . . . . 33 Glu CB . 19908 1 185 . 1 1 37 37 GLU N N 15 119.877 0.112 . 1 . . . . . 33 Glu N . 19908 1 186 . 1 1 38 38 VAL H H 1 9.176 0.010 . 1 . . . . . 34 Val H . 19908 1 187 . 1 1 38 38 VAL HA H 1 3.206 0.000 . 1 . . . . . 34 Val HA . 19908 1 188 . 1 1 38 38 VAL C C 13 176.877 0.000 . 1 . . . . . 34 Val C . 19908 1 189 . 1 1 38 38 VAL CA C 13 67.834 0.023 . 1 . . . . . 34 Val CA . 19908 1 190 . 1 1 38 38 VAL CB C 13 31.212 0.000 . 1 . . . . . 34 Val CB . 19908 1 191 . 1 1 38 38 VAL N N 15 122.793 0.035 . 1 . . . . . 34 Val N . 19908 1 192 . 1 1 39 39 THR H H 1 8.046 0.004 . 1 . . . . . 35 Thr H . 19908 1 193 . 1 1 39 39 THR HA H 1 3.504 0.000 . 1 . . . . . 35 Thr HA . 19908 1 194 . 1 1 39 39 THR C C 13 176.254 0.000 . 1 . . . . . 35 Thr C . 19908 1 195 . 1 1 39 39 THR CA C 13 68.595 0.062 . 1 . . . . . 35 Thr CA . 19908 1 196 . 1 1 39 39 THR N N 15 116.558 0.006 . 1 . . . . . 35 Thr N . 19908 1 197 . 1 1 40 40 LYS H H 1 7.885 0.005 . 1 . . . . . 36 Lys H . 19908 1 198 . 1 1 40 40 LYS HA H 1 4.151 0.000 . 1 . . . . . 36 Lys HA . 19908 1 199 . 1 1 40 40 LYS C C 13 178.081 0.000 . 1 . . . . . 36 Lys C . 19908 1 200 . 1 1 40 40 LYS CA C 13 59.759 0.000 . 1 . . . . . 36 Lys CA . 19908 1 201 . 1 1 40 40 LYS CB C 13 32.267 0.000 . 1 . . . . . 36 Lys CB . 19908 1 202 . 1 1 40 40 LYS N N 15 119.238 0.005 . 1 . . . . . 36 Lys N . 19908 1 203 . 1 1 41 41 ALA H H 1 7.916 0.006 . 1 . . . . . 37 Ala H . 19908 1 204 . 1 1 41 41 ALA HA H 1 3.995 0.000 . 1 . . . . . 37 Ala HA . 19908 1 205 . 1 1 41 41 ALA C C 13 179.452 0.000 . 1 . . . . . 37 Ala C . 19908 1 206 . 1 1 41 41 ALA CA C 13 54.471 0.009 . 1 . . . . . 37 Ala CA . 19908 1 207 . 1 1 41 41 ALA CB C 13 17.832 0.000 . 1 . . . . . 37 Ala CB . 19908 1 208 . 1 1 41 41 ALA N N 15 120.757 0.001 . 1 . . . . . 37 Ala N . 19908 1 209 . 1 1 42 42 VAL H H 1 8.015 0.015 . 1 . . . . . 38 Val H . 19908 1 210 . 1 1 42 42 VAL HA H 1 3.503 0.000 . 1 . . . . . 38 Val HA . 19908 1 211 . 1 1 42 42 VAL C C 13 178.642 0.000 . 1 . . . . . 38 Val C . 19908 1 212 . 1 1 42 42 VAL CA C 13 66.365 0.007 . 1 . . . . . 38 Val CA . 19908 1 213 . 1 1 42 42 VAL CB C 13 31.725 0.000 . 1 . . . . . 38 Val CB . 19908 1 214 . 1 1 42 42 VAL N N 15 119.706 0.141 . 1 . . . . . 38 Val N . 19908 1 215 . 1 1 43 43 GLU H H 1 8.662 0.008 . 1 . . . . . 39 Glu H . 19908 1 216 . 1 1 43 43 GLU C C 13 179.213 0.000 . 1 . . . . . 39 Glu C . 19908 1 217 . 1 1 43 43 GLU CA C 13 60.421 0.000 . 1 . . . . . 39 Glu CA . 19908 1 218 . 1 1 43 43 GLU CB C 13 29.508 0.000 . 1 . . . . . 39 Glu CB . 19908 1 219 . 1 1 43 43 GLU N N 15 120.176 0.069 . 1 . . . . . 39 Glu N . 19908 1 220 . 1 1 44 44 ARG H H 1 8.236 0.009 . 1 . . . . . 40 Arg H . 19908 1 221 . 1 1 44 44 ARG HA H 1 4.142 0.000 . 1 . . . . . 40 Arg HA . 19908 1 222 . 1 1 44 44 ARG C C 13 177.100 0.000 . 1 . . . . . 40 Arg C . 19908 1 223 . 1 1 44 44 ARG CA C 13 56.782 0.013 . 1 . . . . . 40 Arg CA . 19908 1 224 . 1 1 44 44 ARG CB C 13 31.025 0.000 . 1 . . . . . 40 Arg CB . 19908 1 225 . 1 1 44 44 ARG N N 15 114.159 0.059 . 1 . . . . . 40 Arg N . 19908 1 226 . 1 1 45 45 GLY H H 1 7.880 0.006 . 1 . . . . . 41 Gly H . 19908 1 227 . 1 1 45 45 GLY C C 13 174.707 0.000 . 1 . . . . . 41 Gly C . 19908 1 228 . 1 1 45 45 GLY CA C 13 46.293 0.000 . 1 . . . . . 41 Gly CA . 19908 1 229 . 1 1 45 45 GLY N N 15 108.124 0.023 . 1 . . . . . 41 Gly N . 19908 1 230 . 1 1 46 46 ILE H H 1 7.656 0.006 . 1 . . . . . 42 Ile H . 19908 1 231 . 1 1 46 46 ILE HA H 1 4.476 0.000 . 1 . . . . . 42 Ile HA . 19908 1 232 . 1 1 46 46 ILE C C 13 175.649 0.000 . 1 . . . . . 42 Ile C . 19908 1 233 . 1 1 46 46 ILE CA C 13 61.331 0.003 . 1 . . . . . 42 Ile CA . 19908 1 234 . 1 1 46 46 ILE CB C 13 38.951 0.000 . 1 . . . . . 42 Ile CB . 19908 1 235 . 1 1 46 46 ILE N N 15 109.656 0.030 . 1 . . . . . 42 Ile N . 19908 1 236 . 1 1 47 47 ALA H H 1 6.588 0.004 . 1 . . . . . 43 Ala H . 19908 1 237 . 1 1 47 47 ALA HA H 1 4.065 0.000 . 1 . . . . . 43 Ala HA . 19908 1 238 . 1 1 47 47 ALA C C 13 175.675 0.000 . 1 . . . . . 43 Ala C . 19908 1 239 . 1 1 47 47 ALA CA C 13 51.823 0.043 . 1 . . . . . 43 Ala CA . 19908 1 240 . 1 1 47 47 ALA CB C 13 19.865 0.000 . 1 . . . . . 43 Ala CB . 19908 1 241 . 1 1 47 47 ALA N N 15 121.519 0.036 . 1 . . . . . 43 Ala N . 19908 1 242 . 1 1 48 48 LYS H H 1 8.780 0.004 . 1 . . . . . 44 Lys H . 19908 1 243 . 1 1 48 48 LYS HA H 1 4.342 0.000 . 1 . . . . . 44 Lys HA . 19908 1 244 . 1 1 48 48 LYS C C 13 176.132 0.000 . 1 . . . . . 44 Lys C . 19908 1 245 . 1 1 48 48 LYS CA C 13 57.080 0.003 . 1 . . . . . 44 Lys CA . 19908 1 246 . 1 1 48 48 LYS CB C 13 34.471 0.000 . 1 . . . . . 44 Lys CB . 19908 1 247 . 1 1 48 48 LYS N N 15 118.961 0.071 . 1 . . . . . 44 Lys N . 19908 1 248 . 1 1 49 49 LEU H H 1 6.655 0.001 . 1 . . . . . 45 Leu H . 19908 1 249 . 1 1 49 49 LEU HA H 1 4.546 0.000 . 1 . . . . . 45 Leu HA . 19908 1 250 . 1 1 49 49 LEU C C 13 174.334 0.000 . 1 . . . . . 45 Leu C . 19908 1 251 . 1 1 49 49 LEU CA C 13 55.108 0.046 . 1 . . . . . 45 Leu CA . 19908 1 252 . 1 1 49 49 LEU CB C 13 44.637 0.000 . 1 . . . . . 45 Leu CB . 19908 1 253 . 1 1 49 49 LEU N N 15 113.291 0.007 . 1 . . . . . 45 Leu N . 19908 1 254 . 1 1 50 50 VAL H H 1 8.613 0.015 . 1 . . . . . 46 Val H . 19908 1 255 . 1 1 50 50 VAL HA H 1 4.657 0.000 . 1 . . . . . 46 Val HA . 19908 1 256 . 1 1 50 50 VAL C C 13 172.925 0.000 . 1 . . . . . 46 Val C . 19908 1 257 . 1 1 50 50 VAL CA C 13 61.682 0.000 . 1 . . . . . 46 Val CA . 19908 1 258 . 1 1 50 50 VAL CB C 13 33.346 0.000 . 1 . . . . . 46 Val CB . 19908 1 259 . 1 1 50 50 VAL N N 15 129.718 0.064 . 1 . . . . . 46 Val N . 19908 1 260 . 1 1 51 51 ILE H H 1 9.090 0.009 . 1 . . . . . 47 Ile H . 19908 1 261 . 1 1 51 51 ILE C C 13 173.583 0.000 . 1 . . . . . 47 Ile C . 19908 1 262 . 1 1 51 51 ILE CA C 13 60.050 0.000 . 1 . . . . . 47 Ile CA . 19908 1 263 . 1 1 51 51 ILE CB C 13 40.532 0.000 . 1 . . . . . 47 Ile CB . 19908 1 264 . 1 1 51 51 ILE N N 15 126.736 0.010 . 1 . . . . . 47 Ile N . 19908 1 265 . 1 1 52 52 ILE H H 1 8.528 0.007 . 1 . . . . . 48 Ile H . 19908 1 266 . 1 1 52 52 ILE HA H 1 3.820 0.000 . 1 . . . . . 48 Ile HA . 19908 1 267 . 1 1 52 52 ILE C C 13 175.296 0.000 . 1 . . . . . 48 Ile C . 19908 1 268 . 1 1 52 52 ILE CA C 13 59.534 0.032 . 1 . . . . . 48 Ile CA . 19908 1 269 . 1 1 52 52 ILE CB C 13 40.942 0.000 . 1 . . . . . 48 Ile CB . 19908 1 270 . 1 1 52 52 ILE N N 15 126.390 0.039 . 1 . . . . . 48 Ile N . 19908 1 271 . 1 1 53 53 ALA H H 1 8.510 0.010 . 1 . . . . . 49 Ala H . 19908 1 272 . 1 1 53 53 ALA HA H 1 5.056 0.000 . 1 . . . . . 49 Ala HA . 19908 1 273 . 1 1 53 53 ALA C C 13 180.403 0.000 . 1 . . . . . 49 Ala C . 19908 1 274 . 1 1 53 53 ALA CA C 13 51.674 0.039 . 1 . . . . . 49 Ala CA . 19908 1 275 . 1 1 53 53 ALA CB C 13 18.896 0.000 . 1 . . . . . 49 Ala CB . 19908 1 276 . 1 1 53 53 ALA N N 15 128.620 0.071 . 1 . . . . . 49 Ala N . 19908 1 277 . 1 1 54 54 GLU H H 1 8.763 0.005 . 1 . . . . . 50 Glu H . 19908 1 278 . 1 1 54 54 GLU HA H 1 4.897 0.000 . 1 . . . . . 50 Glu HA . 19908 1 279 . 1 1 54 54 GLU C C 13 176.131 0.000 . 1 . . . . . 50 Glu C . 19908 1 280 . 1 1 54 54 GLU CA C 13 58.811 0.000 . 1 . . . . . 50 Glu CA . 19908 1 281 . 1 1 54 54 GLU CB C 13 31.370 0.000 . 1 . . . . . 50 Glu CB . 19908 1 282 . 1 1 54 54 GLU N N 15 118.713 0.009 . 1 . . . . . 50 Glu N . 19908 1 283 . 1 1 55 55 ASP H H 1 8.713 0.014 . 1 . . . . . 51 Asp H . 19908 1 284 . 1 1 55 55 ASP HA H 1 4.809 0.000 . 1 . . . . . 51 Asp HA . 19908 1 285 . 1 1 55 55 ASP C C 13 175.275 0.000 . 1 . . . . . 51 Asp C . 19908 1 286 . 1 1 55 55 ASP CA C 13 52.578 0.000 . 1 . . . . . 51 Asp CA . 19908 1 287 . 1 1 55 55 ASP CB C 13 38.799 0.000 . 1 . . . . . 51 Asp CB . 19908 1 288 . 1 1 55 55 ASP N N 15 118.809 0.007 . 1 . . . . . 51 Asp N . 19908 1 289 . 1 1 56 56 VAL H H 1 6.887 0.008 . 1 . . . . . 52 Val H . 19908 1 290 . 1 1 56 56 VAL HA H 1 3.960 0.000 . 1 . . . . . 52 Val HA . 19908 1 291 . 1 1 56 56 VAL C C 13 175.147 0.000 . 1 . . . . . 52 Val C . 19908 1 292 . 1 1 56 56 VAL CA C 13 62.927 0.005 . 1 . . . . . 52 Val CA . 19908 1 293 . 1 1 56 56 VAL N N 15 120.720 0.007 . 1 . . . . . 52 Val N . 19908 1 294 . 1 1 57 57 LYS H H 1 7.941 0.002 . 1 . . . . . 53 Lys H . 19908 1 295 . 1 1 57 57 LYS HA H 1 4.557 0.000 . 1 . . . . . 53 Lys HA . 19908 1 296 . 1 1 57 57 LYS CA C 13 53.243 0.017 . 1 . . . . . 53 Lys CA . 19908 1 297 . 1 1 57 57 LYS CB C 13 36.106 0.000 . 1 . . . . . 53 Lys CB . 19908 1 298 . 1 1 57 57 LYS N N 15 126.808 0.053 . 1 . . . . . 53 Lys N . 19908 1 299 . 1 1 58 58 PRO C C 13 176.041 0.000 . 1 . . . . . 54 Pro C . 19908 1 300 . 1 1 58 58 PRO CA C 13 63.538 0.000 . 1 . . . . . 54 Pro CA . 19908 1 301 . 1 1 58 58 PRO CB C 13 34.220 0.000 . 1 . . . . . 54 Pro CB . 19908 1 302 . 1 1 59 59 GLU H H 1 9.660 0.009 . 1 . . . . . 55 Glu H . 19908 1 303 . 1 1 59 59 GLU C C 13 177.716 0.000 . 1 . . . . . 55 Glu C . 19908 1 304 . 1 1 59 59 GLU CA C 13 60.348 0.000 . 1 . . . . . 55 Glu CA . 19908 1 305 . 1 1 59 59 GLU N N 15 123.075 0.008 . 1 . . . . . 55 Glu N . 19908 1 306 . 1 1 60 60 GLU H H 1 9.052 0.003 . 1 . . . . . 56 Glu H . 19908 1 307 . 1 1 60 60 GLU C C 13 176.240 0.000 . 1 . . . . . 56 Glu C . 19908 1 308 . 1 1 60 60 GLU CA C 13 59.608 0.000 . 1 . . . . . 56 Glu CA . 19908 1 309 . 1 1 60 60 GLU CB C 13 29.035 0.000 . 1 . . . . . 56 Glu CB . 19908 1 310 . 1 1 60 60 GLU N N 15 115.378 0.006 . 1 . . . . . 56 Glu N . 19908 1 311 . 1 1 61 61 VAL H H 1 7.283 0.012 . 1 . . . . . 57 Val H . 19908 1 312 . 1 1 61 61 VAL HA H 1 4.772 0.000 . 1 . . . . . 57 Val HA . 19908 1 313 . 1 1 61 61 VAL C C 13 176.301 0.000 . 1 . . . . . 57 Val C . 19908 1 314 . 1 1 61 61 VAL CA C 13 66.546 0.000 . 1 . . . . . 57 Val CA . 19908 1 315 . 1 1 61 61 VAL CB C 13 32.280 0.000 . 1 . . . . . 57 Val CB . 19908 1 316 . 1 1 61 61 VAL N N 15 119.473 0.015 . 1 . . . . . 57 Val N . 19908 1 317 . 1 1 62 62 VAL H H 1 6.714 0.002 . 1 . . . . . 58 Val H . 19908 1 318 . 1 1 62 62 VAL HA H 1 4.479 0.000 . 1 . . . . . 58 Val HA . 19908 1 319 . 1 1 62 62 VAL C C 13 177.705 0.000 . 1 . . . . . 58 Val C . 19908 1 320 . 1 1 62 62 VAL CA C 13 59.969 0.011 . 1 . . . . . 58 Val CA . 19908 1 321 . 1 1 62 62 VAL N N 15 100.390 0.005 . 1 . . . . . 58 Val N . 19908 1 322 . 1 1 63 63 ALA H H 1 7.703 0.006 . 1 . . . . . 59 Ala H . 19908 1 323 . 1 1 63 63 ALA C C 13 176.878 0.000 . 1 . . . . . 59 Ala C . 19908 1 324 . 1 1 63 63 ALA CA C 13 55.594 0.000 . 1 . . . . . 59 Ala CA . 19908 1 325 . 1 1 63 63 ALA CB C 13 19.149 0.000 . 1 . . . . . 59 Ala CB . 19908 1 326 . 1 1 63 63 ALA N N 15 122.637 0.117 . 1 . . . . . 59 Ala N . 19908 1 327 . 1 1 64 64 HIS H H 1 8.821 0.016 . 1 . . . . . 60 His H . 19908 1 328 . 1 1 64 64 HIS HA H 1 4.787 0.000 . 1 . . . . . 60 His HA . 19908 1 329 . 1 1 64 64 HIS N N 15 112.945 0.015 . 1 . . . . . 60 His N . 19908 1 330 . 1 1 66 66 PRO HA H 1 2.720 0.000 . 1 . . . . . 62 Pro HA . 19908 1 331 . 1 1 66 66 PRO C C 13 177.070 0.000 . 1 . . . . . 62 Pro C . 19908 1 332 . 1 1 66 66 PRO CA C 13 66.528 0.090 . 1 . . . . . 62 Pro CA . 19908 1 333 . 1 1 66 66 PRO CB C 13 30.849 0.000 . 1 . . . . . 62 Pro CB . 19908 1 334 . 1 1 67 67 TYR H H 1 6.886 0.009 . 1 . . . . . 63 Tyr H . 19908 1 335 . 1 1 67 67 TYR HA H 1 4.080 0.000 . 1 . . . . . 63 Tyr HA . 19908 1 336 . 1 1 67 67 TYR C C 13 177.960 0.000 . 1 . . . . . 63 Tyr C . 19908 1 337 . 1 1 67 67 TYR CA C 13 60.696 0.005 . 1 . . . . . 63 Tyr CA . 19908 1 338 . 1 1 67 67 TYR CB C 13 37.684 0.000 . 1 . . . . . 63 Tyr CB . 19908 1 339 . 1 1 67 67 TYR N N 15 113.385 0.005 . 1 . . . . . 63 Tyr N . 19908 1 340 . 1 1 68 68 LEU H H 1 7.862 0.016 . 1 . . . . . 64 Leu H . 19908 1 341 . 1 1 68 68 LEU HA H 1 4.036 0.000 . 1 . . . . . 64 Leu HA . 19908 1 342 . 1 1 68 68 LEU C C 13 179.066 0.000 . 1 . . . . . 64 Leu C . 19908 1 343 . 1 1 68 68 LEU CA C 13 57.688 0.007 . 1 . . . . . 64 Leu CA . 19908 1 344 . 1 1 68 68 LEU CB C 13 42.859 0.000 . 1 . . . . . 64 Leu CB . 19908 1 345 . 1 1 68 68 LEU N N 15 121.704 0.069 . 1 . . . . . 64 Leu N . 19908 1 346 . 1 1 69 69 CYS H H 1 8.524 0.009 . 1 . . . . . 65 Cys H . 19908 1 347 . 1 1 69 69 CYS HA H 1 3.773 0.000 . 1 . . . . . 65 Cys HA . 19908 1 348 . 1 1 69 69 CYS C C 13 177.772 0.000 . 1 . . . . . 65 Cys C . 19908 1 349 . 1 1 69 69 CYS CA C 13 65.558 0.018 . 1 . . . . . 65 Cys CA . 19908 1 350 . 1 1 69 69 CYS CB C 13 26.346 0.000 . 1 . . . . . 65 Cys CB . 19908 1 351 . 1 1 69 69 CYS N N 15 115.786 0.002 . 1 . . . . . 65 Cys N . 19908 1 352 . 1 1 70 70 GLU H H 1 8.054 0.005 . 1 . . . . . 66 Glu H . 19908 1 353 . 1 1 70 70 GLU HA H 1 4.205 0.000 . 1 . . . . . 66 Glu HA . 19908 1 354 . 1 1 70 70 GLU C C 13 180.112 0.000 . 1 . . . . . 66 Glu C . 19908 1 355 . 1 1 70 70 GLU CA C 13 59.188 0.002 . 1 . . . . . 66 Glu CA . 19908 1 356 . 1 1 70 70 GLU CB C 13 28.768 0.000 . 1 . . . . . 66 Glu CB . 19908 1 357 . 1 1 70 70 GLU N N 15 119.374 0.007 . 1 . . . . . 66 Glu N . 19908 1 358 . 1 1 71 71 GLU H H 1 8.106 0.002 . 1 . . . . . 67 Glu H . 19908 1 359 . 1 1 71 71 GLU HA H 1 3.991 0.000 . 1 . . . . . 67 Glu HA . 19908 1 360 . 1 1 71 71 GLU C C 13 178.665 0.000 . 1 . . . . . 67 Glu C . 19908 1 361 . 1 1 71 71 GLU CA C 13 59.164 0.012 . 1 . . . . . 67 Glu CA . 19908 1 362 . 1 1 71 71 GLU CB C 13 29.672 0.000 . 1 . . . . . 67 Glu CB . 19908 1 363 . 1 1 71 71 GLU N N 15 120.261 0.004 . 1 . . . . . 67 Glu N . 19908 1 364 . 1 1 72 72 LYS H H 1 7.778 0.006 . 1 . . . . . 68 Lys H . 19908 1 365 . 1 1 72 72 LYS HA H 1 4.306 0.000 . 1 . . . . . 68 Lys HA . 19908 1 366 . 1 1 72 72 LYS C C 13 176.719 0.000 . 1 . . . . . 68 Lys C . 19908 1 367 . 1 1 72 72 LYS CA C 13 54.801 0.021 . 1 . . . . . 68 Lys CA . 19908 1 368 . 1 1 72 72 LYS CB C 13 32.435 0.000 . 1 . . . . . 68 Lys CB . 19908 1 369 . 1 1 72 72 LYS N N 15 114.751 0.007 . 1 . . . . . 68 Lys N . 19908 1 370 . 1 1 73 73 GLY H H 1 7.876 0.009 . 1 . . . . . 69 Gly H . 19908 1 371 . 1 1 73 73 GLY HA2 H 1 3.938 0.000 . 1 . . . . . 69 Gly HA2 . 19908 1 372 . 1 1 73 73 GLY HA3 H 1 4.014 0.000 . 1 . . . . . 69 Gly HA3 . 19908 1 373 . 1 1 73 73 GLY C C 13 174.687 0.000 . 1 . . . . . 69 Gly C . 19908 1 374 . 1 1 73 73 GLY CA C 13 46.464 0.000 . 1 . . . . . 69 Gly CA . 19908 1 375 . 1 1 73 73 GLY N N 15 110.146 0.013 . 1 . . . . . 69 Gly N . 19908 1 376 . 1 1 74 74 ILE H H 1 8.434 0.009 . 1 . . . . . 70 Ile H . 19908 1 377 . 1 1 74 74 ILE HA H 1 4.474 0.000 . 1 . . . . . 70 Ile HA . 19908 1 378 . 1 1 74 74 ILE CA C 13 57.292 0.007 . 1 . . . . . 70 Ile CA . 19908 1 379 . 1 1 74 74 ILE CB C 13 40.856 0.000 . 1 . . . . . 70 Ile CB . 19908 1 380 . 1 1 74 74 ILE N N 15 123.260 0.007 . 1 . . . . . 70 Ile N . 19908 1 381 . 1 1 75 75 PRO C C 13 174.271 0.000 . 1 . . . . . 71 Pro C . 19908 1 382 . 1 1 75 75 PRO CA C 13 63.333 0.000 . 1 . . . . . 71 Pro CA . 19908 1 383 . 1 1 75 75 PRO CB C 13 32.384 0.000 . 1 . . . . . 71 Pro CB . 19908 1 384 . 1 1 76 76 TYR H H 1 7.676 0.003 . 1 . . . . . 72 Tyr H . 19908 1 385 . 1 1 76 76 TYR HA H 1 5.984 0.000 . 1 . . . . . 72 Tyr HA . 19908 1 386 . 1 1 76 76 TYR C C 13 172.914 0.000 . 1 . . . . . 72 Tyr C . 19908 1 387 . 1 1 76 76 TYR CA C 13 54.534 0.025 . 1 . . . . . 72 Tyr CA . 19908 1 388 . 1 1 76 76 TYR CB C 13 41.728 0.000 . 1 . . . . . 72 Tyr CB . 19908 1 389 . 1 1 76 76 TYR N N 15 115.958 0.007 . 1 . . . . . 72 Tyr N . 19908 1 390 . 1 1 77 77 ALA H H 1 8.475 0.006 . 1 . . . . . 73 Ala H . 19908 1 391 . 1 1 77 77 ALA HA H 1 4.140 0.000 . 1 . . . . . 73 Ala HA . 19908 1 392 . 1 1 77 77 ALA C C 13 173.121 0.000 . 1 . . . . . 73 Ala C . 19908 1 393 . 1 1 77 77 ALA CA C 13 50.589 0.027 . 1 . . . . . 73 Ala CA . 19908 1 394 . 1 1 77 77 ALA CB C 13 23.391 0.000 . 1 . . . . . 73 Ala CB . 19908 1 395 . 1 1 77 77 ALA N N 15 117.094 0.058 . 1 . . . . . 73 Ala N . 19908 1 396 . 1 1 78 78 TYR H H 1 5.928 0.003 . 1 . . . . . 74 Tyr H . 19908 1 397 . 1 1 78 78 TYR HA H 1 6.177 0.000 . 1 . . . . . 74 Tyr HA . 19908 1 398 . 1 1 78 78 TYR C C 13 175.539 0.000 . 1 . . . . . 74 Tyr C . 19908 1 399 . 1 1 78 78 TYR CA C 13 56.180 0.019 . 1 . . . . . 74 Tyr CA . 19908 1 400 . 1 1 78 78 TYR CB C 13 42.878 0.000 . 1 . . . . . 74 Tyr CB . 19908 1 401 . 1 1 78 78 TYR N N 15 113.795 0.021 . 1 . . . . . 74 Tyr N . 19908 1 402 . 1 1 79 79 VAL H H 1 7.661 0.003 . 1 . . . . . 75 Val H . 19908 1 403 . 1 1 79 79 VAL HA H 1 4.275 0.000 . 1 . . . . . 75 Val HA . 19908 1 404 . 1 1 79 79 VAL C C 13 175.884 0.000 . 1 . . . . . 75 Val C . 19908 1 405 . 1 1 79 79 VAL CA C 13 58.501 0.005 . 1 . . . . . 75 Val CA . 19908 1 406 . 1 1 79 79 VAL N N 15 105.905 0.029 . 1 . . . . . 75 Val N . 19908 1 407 . 1 1 80 80 ALA H H 1 8.005 0.003 . 1 . . . . . 76 Ala H . 19908 1 408 . 1 1 80 80 ALA HA H 1 4.589 0.000 . 1 . . . . . 76 Ala HA . 19908 1 409 . 1 1 80 80 ALA C C 13 178.480 0.000 . 1 . . . . . 76 Ala C . 19908 1 410 . 1 1 80 80 ALA CA C 13 55.924 0.007 . 1 . . . . . 76 Ala CA . 19908 1 411 . 1 1 80 80 ALA CB C 13 19.537 0.000 . 1 . . . . . 76 Ala CB . 19908 1 412 . 1 1 80 80 ALA N N 15 122.417 0.011 . 1 . . . . . 76 Ala N . 19908 1 413 . 1 1 81 81 SER H H 1 7.766 0.006 . 1 . . . . . 77 Ser H . 19908 1 414 . 1 1 81 81 SER HA H 1 5.275 0.000 . 1 . . . . . 77 Ser HA . 19908 1 415 . 1 1 81 81 SER C C 13 175.783 0.000 . 1 . . . . . 77 Ser C . 19908 1 416 . 1 1 81 81 SER CA C 13 54.584 0.000 . 1 . . . . . 77 Ser CA . 19908 1 417 . 1 1 81 81 SER CB C 13 64.855 0.000 . 1 . . . . . 77 Ser CB . 19908 1 418 . 1 1 81 81 SER N N 15 106.750 0.007 . 1 . . . . . 77 Ser N . 19908 1 419 . 1 1 82 82 LYS H H 1 11.161 0.004 . 1 . . . . . 78 Lys H . 19908 1 420 . 1 1 82 82 LYS HA H 1 4.227 0.000 . 1 . . . . . 78 Lys HA . 19908 1 421 . 1 1 82 82 LYS C C 13 178.993 0.000 . 1 . . . . . 78 Lys C . 19908 1 422 . 1 1 82 82 LYS CA C 13 58.094 0.002 . 1 . . . . . 78 Lys CA . 19908 1 423 . 1 1 82 82 LYS CB C 13 31.350 0.000 . 1 . . . . . 78 Lys CB . 19908 1 424 . 1 1 82 82 LYS N N 15 132.839 0.008 . 1 . . . . . 78 Lys N . 19908 1 425 . 1 1 83 83 GLN H H 1 8.521 0.010 . 1 . . . . . 79 Gln H . 19908 1 426 . 1 1 83 83 GLN C C 13 178.052 0.000 . 1 . . . . . 79 Gln C . 19908 1 427 . 1 1 83 83 GLN CA C 13 59.266 0.000 . 1 . . . . . 79 Gln CA . 19908 1 428 . 1 1 83 83 GLN CB C 13 28.071 0.000 . 1 . . . . . 79 Gln CB . 19908 1 429 . 1 1 83 83 GLN N N 15 125.998 0.092 . 1 . . . . . 79 Gln N . 19908 1 430 . 1 1 84 84 ASP H H 1 7.757 0.008 . 1 . . . . . 80 Asp H . 19908 1 431 . 1 1 84 84 ASP HA H 1 4.244 0.000 . 1 . . . . . 80 Asp HA . 19908 1 432 . 1 1 84 84 ASP C C 13 179.259 0.000 . 1 . . . . . 80 Asp C . 19908 1 433 . 1 1 84 84 ASP CA C 13 56.877 0.031 . 1 . . . . . 80 Asp CA . 19908 1 434 . 1 1 84 84 ASP CB C 13 39.817 0.000 . 1 . . . . . 80 Asp CB . 19908 1 435 . 1 1 84 84 ASP N N 15 121.347 0.006 . 1 . . . . . 80 Asp N . 19908 1 436 . 1 1 85 85 LEU H H 1 8.391 0.006 . 1 . . . . . 81 Leu H . 19908 1 437 . 1 1 85 85 LEU HA H 1 4.000 0.000 . 1 . . . . . 81 Leu HA . 19908 1 438 . 1 1 85 85 LEU C C 13 177.767 0.000 . 1 . . . . . 81 Leu C . 19908 1 439 . 1 1 85 85 LEU CA C 13 57.591 0.007 . 1 . . . . . 81 Leu CA . 19908 1 440 . 1 1 85 85 LEU CB C 13 40.689 0.000 . 1 . . . . . 81 Leu CB . 19908 1 441 . 1 1 85 85 LEU N N 15 122.521 0.010 . 1 . . . . . 81 Leu N . 19908 1 442 . 1 1 86 86 GLY H H 1 7.900 0.006 . 1 . . . . . 82 Gly H . 19908 1 443 . 1 1 86 86 GLY C C 13 175.036 0.000 . 1 . . . . . 82 Gly C . 19908 1 444 . 1 1 86 86 GLY CA C 13 47.956 0.000 . 1 . . . . . 82 Gly CA . 19908 1 445 . 1 1 86 86 GLY N N 15 104.222 0.007 . 1 . . . . . 82 Gly N . 19908 1 446 . 1 1 87 87 LYS H H 1 7.548 0.005 . 1 . . . . . 83 Lys H . 19908 1 447 . 1 1 87 87 LYS HA H 1 4.222 0.000 . 1 . . . . . 83 Lys HA . 19908 1 448 . 1 1 87 87 LYS C C 13 181.544 0.000 . 1 . . . . . 83 Lys C . 19908 1 449 . 1 1 87 87 LYS CA C 13 58.923 0.003 . 1 . . . . . 83 Lys CA . 19908 1 450 . 1 1 87 87 LYS CB C 13 31.699 0.000 . 1 . . . . . 83 Lys CB . 19908 1 451 . 1 1 87 87 LYS N N 15 121.182 0.010 . 1 . . . . . 83 Lys N . 19908 1 452 . 1 1 88 88 ALA H H 1 8.059 0.007 . 1 . . . . . 84 Ala H . 19908 1 453 . 1 1 88 88 ALA HA H 1 4.022 0.000 . 1 . . . . . 84 Ala HA . 19908 1 454 . 1 1 88 88 ALA C C 13 177.882 0.000 . 1 . . . . . 84 Ala C . 19908 1 455 . 1 1 88 88 ALA CA C 13 55.229 0.000 . 1 . . . . . 84 Ala CA . 19908 1 456 . 1 1 88 88 ALA CB C 13 18.393 0.000 . 1 . . . . . 84 Ala CB . 19908 1 457 . 1 1 88 88 ALA N N 15 124.212 0.008 . 1 . . . . . 84 Ala N . 19908 1 458 . 1 1 89 89 ALA H H 1 7.391 0.013 . 1 . . . . . 85 Ala H . 19908 1 459 . 1 1 89 89 ALA HA H 1 3.802 0.011 . 1 . . . . . 85 Ala HA . 19908 1 460 . 1 1 89 89 ALA C C 13 174.672 0.000 . 1 . . . . . 85 Ala C . 19908 1 461 . 1 1 89 89 ALA CA C 13 51.287 0.035 . 1 . . . . . 85 Ala CA . 19908 1 462 . 1 1 89 89 ALA CB C 13 18.609 0.026 . 1 . . . . . 85 Ala CB . 19908 1 463 . 1 1 89 89 ALA N N 15 116.678 0.009 . 1 . . . . . 85 Ala N . 19908 1 464 . 1 1 90 90 GLY H H 1 7.659 0.008 . 1 . . . . . 86 Gly H . 19908 1 465 . 1 1 90 90 GLY C C 13 174.460 0.000 . 1 . . . . . 86 Gly C . 19908 1 466 . 1 1 90 90 GLY CA C 13 45.364 0.000 . 1 . . . . . 86 Gly CA . 19908 1 467 . 1 1 90 90 GLY N N 15 105.588 0.005 . 1 . . . . . 86 Gly N . 19908 1 468 . 1 1 91 91 LEU H H 1 8.006 0.007 . 1 . . . . . 87 Leu H . 19908 1 469 . 1 1 91 91 LEU HA H 1 4.280 0.000 . 1 . . . . . 87 Leu HA . 19908 1 470 . 1 1 91 91 LEU C C 13 177.165 0.000 . 1 . . . . . 87 Leu C . 19908 1 471 . 1 1 91 91 LEU CA C 13 52.607 0.048 . 1 . . . . . 87 Leu CA . 19908 1 472 . 1 1 91 91 LEU CB C 13 43.716 0.000 . 1 . . . . . 87 Leu CB . 19908 1 473 . 1 1 91 91 LEU N N 15 118.053 0.127 . 1 . . . . . 87 Leu N . 19908 1 474 . 1 1 92 92 GLU H H 1 8.988 0.006 . 1 . . . . . 88 Glu H . 19908 1 475 . 1 1 92 92 GLU HA H 1 4.275 0.000 . 1 . . . . . 88 Glu HA . 19908 1 476 . 1 1 92 92 GLU C C 13 175.888 0.000 . 1 . . . . . 88 Glu C . 19908 1 477 . 1 1 92 92 GLU CA C 13 55.640 0.099 . 1 . . . . . 88 Glu CA . 19908 1 478 . 1 1 92 92 GLU CB C 13 29.985 0.000 . 1 . . . . . 88 Glu CB . 19908 1 479 . 1 1 92 92 GLU N N 15 117.770 0.009 . 1 . . . . . 88 Glu N . 19908 1 480 . 1 1 93 93 VAL H H 1 6.362 0.008 . 1 . . . . . 89 Val H . 19908 1 481 . 1 1 93 93 VAL HA H 1 4.427 0.000 . 1 . . . . . 89 Val HA . 19908 1 482 . 1 1 93 93 VAL C C 13 173.702 0.000 . 1 . . . . . 89 Val C . 19908 1 483 . 1 1 93 93 VAL CA C 13 58.442 0.005 . 1 . . . . . 89 Val CA . 19908 1 484 . 1 1 93 93 VAL CB C 13 33.919 0.000 . 1 . . . . . 89 Val CB . 19908 1 485 . 1 1 93 93 VAL N N 15 109.953 0.008 . 1 . . . . . 89 Val N . 19908 1 486 . 1 1 94 94 ALA H H 1 7.720 0.005 . 1 . . . . . 90 Ala H . 19908 1 487 . 1 1 94 94 ALA HA H 1 4.030 0.000 . 1 . . . . . 90 Ala HA . 19908 1 488 . 1 1 94 94 ALA C C 13 176.511 0.000 . 1 . . . . . 90 Ala C . 19908 1 489 . 1 1 94 94 ALA CA C 13 51.343 0.007 . 1 . . . . . 90 Ala CA . 19908 1 490 . 1 1 94 94 ALA CB C 13 20.191 0.000 . 1 . . . . . 90 Ala CB . 19908 1 491 . 1 1 94 94 ALA N N 15 118.458 0.074 . 1 . . . . . 90 Ala N . 19908 1 492 . 1 1 95 95 ALA H H 1 7.451 0.003 . 1 . . . . . 91 Ala H . 19908 1 493 . 1 1 95 95 ALA HA H 1 4.526 0.000 . 1 . . . . . 91 Ala HA . 19908 1 494 . 1 1 95 95 ALA C C 13 175.951 0.000 . 1 . . . . . 91 Ala C . 19908 1 495 . 1 1 95 95 ALA CA C 13 51.471 0.036 . 1 . . . . . 91 Ala CA . 19908 1 496 . 1 1 95 95 ALA CB C 13 20.215 0.000 . 1 . . . . . 91 Ala CB . 19908 1 497 . 1 1 95 95 ALA N N 15 117.200 0.004 . 1 . . . . . 91 Ala N . 19908 1 498 . 1 1 96 96 SER H H 1 9.388 0.009 . 1 . . . . . 92 Ser H . 19908 1 499 . 1 1 96 96 SER C C 13 172.587 0.000 . 1 . . . . . 92 Ser C . 19908 1 500 . 1 1 96 96 SER CA C 13 60.675 0.000 . 1 . . . . . 92 Ser CA . 19908 1 501 . 1 1 96 96 SER CB C 13 61.761 0.000 . 1 . . . . . 92 Ser CB . 19908 1 502 . 1 1 96 96 SER N N 15 117.120 0.017 . 1 . . . . . 92 Ser N . 19908 1 503 . 1 1 97 97 SER H H 1 6.771 0.003 . 1 . . . . . 93 Ser H . 19908 1 504 . 1 1 97 97 SER HA H 1 5.165 0.000 . 1 . . . . . 93 Ser HA . 19908 1 505 . 1 1 97 97 SER C C 13 172.618 0.000 . 1 . . . . . 93 Ser C . 19908 1 506 . 1 1 97 97 SER CA C 13 56.542 0.069 . 1 . . . . . 93 Ser CA . 19908 1 507 . 1 1 97 97 SER CB C 13 64.151 0.000 . 1 . . . . . 93 Ser CB . 19908 1 508 . 1 1 97 97 SER N N 15 107.545 0.022 . 1 . . . . . 93 Ser N . 19908 1 509 . 1 1 98 98 VAL H H 1 8.790 0.020 . 1 . . . . . 94 Val H . 19908 1 510 . 1 1 98 98 VAL HA H 1 4.655 0.000 . 1 . . . . . 94 Val HA . 19908 1 511 . 1 1 98 98 VAL C C 13 173.442 0.000 . 1 . . . . . 94 Val C . 19908 1 512 . 1 1 98 98 VAL CA C 13 59.838 0.000 . 1 . . . . . 94 Val CA . 19908 1 513 . 1 1 98 98 VAL CB C 13 37.903 0.000 . 1 . . . . . 94 Val CB . 19908 1 514 . 1 1 98 98 VAL N N 15 117.647 0.006 . 1 . . . . . 94 Val N . 19908 1 515 . 1 1 99 99 ALA H H 1 9.016 0.002 . 1 . . . . . 95 Ala H . 19908 1 516 . 1 1 99 99 ALA HA H 1 5.403 0.000 . 1 . . . . . 95 Ala HA . 19908 1 517 . 1 1 99 99 ALA C C 13 176.516 0.000 . 1 . . . . . 95 Ala C . 19908 1 518 . 1 1 99 99 ALA CA C 13 49.196 0.051 . 1 . . . . . 95 Ala CA . 19908 1 519 . 1 1 99 99 ALA CB C 13 21.590 0.000 . 1 . . . . . 95 Ala CB . 19908 1 520 . 1 1 99 99 ALA N N 15 123.584 0.005 . 1 . . . . . 95 Ala N . 19908 1 521 . 1 1 100 100 ILE H H 1 8.824 0.003 . 1 . . . . . 96 Ile H . 19908 1 522 . 1 1 100 100 ILE HA H 1 4.002 0.000 . 1 . . . . . 96 Ile HA . 19908 1 523 . 1 1 100 100 ILE C C 13 173.888 0.000 . 1 . . . . . 96 Ile C . 19908 1 524 . 1 1 100 100 ILE CA C 13 63.020 0.015 . 1 . . . . . 96 Ile CA . 19908 1 525 . 1 1 100 100 ILE N N 15 121.948 0.004 . 1 . . . . . 96 Ile N . 19908 1 526 . 1 1 101 101 ILE H H 1 8.489 0.007 . 1 . . . . . 97 Ile H . 19908 1 527 . 1 1 101 101 ILE HA H 1 4.406 0.000 . 1 . . . . . 97 Ile HA . 19908 1 528 . 1 1 101 101 ILE C C 13 174.498 0.000 . 1 . . . . . 97 Ile C . 19908 1 529 . 1 1 101 101 ILE CA C 13 60.559 0.002 . 1 . . . . . 97 Ile CA . 19908 1 530 . 1 1 101 101 ILE N N 15 129.422 0.008 . 1 . . . . . 97 Ile N . 19908 1 531 . 1 1 102 102 ASN H H 1 8.053 0.005 . 1 . . . . . 98 Asn H . 19908 1 532 . 1 1 102 102 ASN HA H 1 5.036 0.000 . 1 . . . . . 98 Asn HA . 19908 1 533 . 1 1 102 102 ASN C C 13 173.434 0.000 . 1 . . . . . 98 Asn C . 19908 1 534 . 1 1 102 102 ASN CA C 13 53.306 0.018 . 1 . . . . . 98 Asn CA . 19908 1 535 . 1 1 102 102 ASN CB C 13 40.883 0.000 . 1 . . . . . 98 Asn CB . 19908 1 536 . 1 1 102 102 ASN N N 15 114.882 0.006 . 1 . . . . . 98 Asn N . 19908 1 537 . 1 1 103 103 GLU H H 1 11.769 0.008 . 1 . . . . . 99 Glu H . 19908 1 538 . 1 1 103 103 GLU HA H 1 4.360 0.000 . 1 . . . . . 99 Glu HA . 19908 1 539 . 1 1 103 103 GLU C C 13 174.938 0.000 . 1 . . . . . 99 Glu C . 19908 1 540 . 1 1 103 103 GLU CA C 13 55.621 0.001 . 1 . . . . . 99 Glu CA . 19908 1 541 . 1 1 103 103 GLU CB C 13 30.489 0.000 . 1 . . . . . 99 Glu CB . 19908 1 542 . 1 1 103 103 GLU N N 15 129.949 0.007 . 1 . . . . . 99 Glu N . 19908 1 543 . 1 1 104 104 GLY H H 1 9.592 0.004 . 1 . . . . . 100 Gly H . 19908 1 544 . 1 1 104 104 GLY C C 13 173.838 0.000 . 1 . . . . . 100 Gly C . 19908 1 545 . 1 1 104 104 GLY CA C 13 46.402 0.000 . 1 . . . . . 100 Gly CA . 19908 1 546 . 1 1 104 104 GLY N N 15 109.089 0.011 . 1 . . . . . 100 Gly N . 19908 1 547 . 1 1 105 105 ASP H H 1 6.939 0.014 . 1 . . . . . 101 Asp H . 19908 1 548 . 1 1 105 105 ASP HA H 1 4.766 0.000 . 1 . . . . . 101 Asp HA . 19908 1 549 . 1 1 105 105 ASP C C 13 176.295 0.000 . 1 . . . . . 101 Asp C . 19908 1 550 . 1 1 105 105 ASP CA C 13 54.299 0.000 . 1 . . . . . 101 Asp CA . 19908 1 551 . 1 1 105 105 ASP CB C 13 43.545 0.000 . 1 . . . . . 101 Asp CB . 19908 1 552 . 1 1 105 105 ASP N N 15 117.606 0.034 . 1 . . . . . 101 Asp N . 19908 1 553 . 1 1 106 106 ALA H H 1 9.208 0.010 . 1 . . . . . 102 Ala H . 19908 1 554 . 1 1 106 106 ALA HA H 1 4.778 0.000 . 1 . . . . . 102 Ala HA . 19908 1 555 . 1 1 106 106 ALA C C 13 180.145 0.000 . 1 . . . . . 102 Ala C . 19908 1 556 . 1 1 106 106 ALA CA C 13 55.624 0.000 . 1 . . . . . 102 Ala CA . 19908 1 557 . 1 1 106 106 ALA CB C 13 19.081 0.000 . 1 . . . . . 102 Ala CB . 19908 1 558 . 1 1 106 106 ALA N N 15 132.176 0.012 . 1 . . . . . 102 Ala N . 19908 1 559 . 1 1 107 107 GLU H H 1 8.286 0.005 . 1 . . . . . 103 Glu H . 19908 1 560 . 1 1 107 107 GLU HA H 1 4.099 0.000 . 1 . . . . . 103 Glu HA . 19908 1 561 . 1 1 107 107 GLU C C 13 179.082 0.000 . 1 . . . . . 103 Glu C . 19908 1 562 . 1 1 107 107 GLU CA C 13 59.319 0.000 . 1 . . . . . 103 Glu CA . 19908 1 563 . 1 1 107 107 GLU CB C 13 28.743 0.000 . 1 . . . . . 103 Glu CB . 19908 1 564 . 1 1 107 107 GLU N N 15 120.571 0.022 . 1 . . . . . 103 Glu N . 19908 1 565 . 1 1 108 108 GLU H H 1 8.535 0.008 . 1 . . . . . 104 Glu H . 19908 1 566 . 1 1 108 108 GLU HA H 1 4.345 0.000 . 1 . . . . . 104 Glu HA . 19908 1 567 . 1 1 108 108 GLU C C 13 178.023 0.000 . 1 . . . . . 104 Glu C . 19908 1 568 . 1 1 108 108 GLU CA C 13 58.500 0.017 . 1 . . . . . 104 Glu CA . 19908 1 569 . 1 1 108 108 GLU CB C 13 30.210 0.000 . 1 . . . . . 104 Glu CB . 19908 1 570 . 1 1 108 108 GLU N N 15 119.230 0.005 . 1 . . . . . 104 Glu N . 19908 1 571 . 1 1 109 109 LEU H H 1 8.017 0.005 . 1 . . . . . 105 Leu H . 19908 1 572 . 1 1 109 109 LEU HA H 1 3.982 0.000 . 1 . . . . . 105 Leu HA . 19908 1 573 . 1 1 109 109 LEU C C 13 177.373 0.000 . 1 . . . . . 105 Leu C . 19908 1 574 . 1 1 109 109 LEU CA C 13 58.168 0.001 . 1 . . . . . 105 Leu CA . 19908 1 575 . 1 1 109 109 LEU CB C 13 40.782 0.000 . 1 . . . . . 105 Leu CB . 19908 1 576 . 1 1 109 109 LEU N N 15 118.384 0.050 . 1 . . . . . 105 Leu N . 19908 1 577 . 1 1 110 110 LYS H H 1 7.640 0.004 . 1 . . . . . 106 Lys H . 19908 1 578 . 1 1 110 110 LYS HA H 1 3.882 0.000 . 1 . . . . . 106 Lys HA . 19908 1 579 . 1 1 110 110 LYS C C 13 180.111 0.000 . 1 . . . . . 106 Lys C . 19908 1 580 . 1 1 110 110 LYS CA C 13 60.292 0.002 . 1 . . . . . 106 Lys CA . 19908 1 581 . 1 1 110 110 LYS CB C 13 32.268 0.000 . 1 . . . . . 106 Lys CB . 19908 1 582 . 1 1 110 110 LYS N N 15 118.402 0.107 . 1 . . . . . 106 Lys N . 19908 1 583 . 1 1 111 111 VAL H H 1 7.742 0.011 . 1 . . . . . 107 Val H . 19908 1 584 . 1 1 111 111 VAL HA H 1 3.710 0.000 . 1 . . . . . 107 Val HA . 19908 1 585 . 1 1 111 111 VAL C C 13 178.176 0.000 . 1 . . . . . 107 Val C . 19908 1 586 . 1 1 111 111 VAL CA C 13 65.959 0.000 . 1 . . . . . 107 Val CA . 19908 1 587 . 1 1 111 111 VAL CB C 13 32.058 0.000 . 1 . . . . . 107 Val CB . 19908 1 588 . 1 1 111 111 VAL N N 15 118.504 0.097 . 1 . . . . . 107 Val N . 19908 1 589 . 1 1 112 112 LEU H H 1 7.808 0.006 . 1 . . . . . 108 Leu H . 19908 1 590 . 1 1 112 112 LEU HA H 1 5.171 0.000 . 1 . . . . . 108 Leu HA . 19908 1 591 . 1 1 112 112 LEU C C 13 178.298 0.000 . 1 . . . . . 108 Leu C . 19908 1 592 . 1 1 112 112 LEU CA C 13 57.972 0.031 . 1 . . . . . 108 Leu CA . 19908 1 593 . 1 1 112 112 LEU CB C 13 42.405 0.000 . 1 . . . . . 108 Leu CB . 19908 1 594 . 1 1 112 112 LEU N N 15 122.244 0.002 . 1 . . . . . 108 Leu N . 19908 1 595 . 1 1 113 113 ILE H H 1 8.580 0.008 . 1 . . . . . 109 Ile H . 19908 1 596 . 1 1 113 113 ILE HA H 1 3.306 0.000 . 1 . . . . . 109 Ile HA . 19908 1 597 . 1 1 113 113 ILE C C 13 177.804 0.000 . 1 . . . . . 109 Ile C . 19908 1 598 . 1 1 113 113 ILE CA C 13 66.441 0.024 . 1 . . . . . 109 Ile CA . 19908 1 599 . 1 1 113 113 ILE CB C 13 38.134 0.000 . 1 . . . . . 109 Ile CB . 19908 1 600 . 1 1 113 113 ILE N N 15 118.986 0.002 . 1 . . . . . 109 Ile N . 19908 1 601 . 1 1 114 114 GLU H H 1 7.700 0.002 . 1 . . . . . 110 Glu H . 19908 1 602 . 1 1 114 114 GLU HA H 1 4.061 0.000 . 1 . . . . . 110 Glu HA . 19908 1 603 . 1 1 114 114 GLU C C 13 179.394 0.000 . 1 . . . . . 110 Glu C . 19908 1 604 . 1 1 114 114 GLU CA C 13 59.618 0.006 . 1 . . . . . 110 Glu CA . 19908 1 605 . 1 1 114 114 GLU CB C 13 28.784 0.000 . 1 . . . . . 110 Glu CB . 19908 1 606 . 1 1 114 114 GLU N N 15 118.798 0.001 . 1 . . . . . 110 Glu N . 19908 1 607 . 1 1 115 115 LYS H H 1 8.009 0.006 . 1 . . . . . 111 Lys H . 19908 1 608 . 1 1 115 115 LYS HA H 1 4.013 0.000 . 1 . . . . . 111 Lys HA . 19908 1 609 . 1 1 115 115 LYS C C 13 179.594 0.000 . 1 . . . . . 111 Lys C . 19908 1 610 . 1 1 115 115 LYS CA C 13 60.132 0.003 . 1 . . . . . 111 Lys CA . 19908 1 611 . 1 1 115 115 LYS CB C 13 32.620 0.000 . 1 . . . . . 111 Lys CB . 19908 1 612 . 1 1 115 115 LYS N N 15 118.511 0.002 . 1 . . . . . 111 Lys N . 19908 1 613 . 1 1 116 116 VAL H H 1 8.169 0.004 . 1 . . . . . 112 Val H . 19908 1 614 . 1 1 116 116 VAL HA H 1 3.680 0.000 . 1 . . . . . 112 Val HA . 19908 1 615 . 1 1 116 116 VAL C C 13 177.534 0.000 . 1 . . . . . 112 Val C . 19908 1 616 . 1 1 116 116 VAL CA C 13 65.839 0.007 . 1 . . . . . 112 Val CA . 19908 1 617 . 1 1 116 116 VAL CB C 13 31.094 0.000 . 1 . . . . . 112 Val CB . 19908 1 618 . 1 1 116 116 VAL N N 15 117.403 0.003 . 1 . . . . . 112 Val N . 19908 1 619 . 1 1 117 117 ASN H H 1 8.327 0.007 . 1 . . . . . 113 Asn H . 19908 1 620 . 1 1 117 117 ASN HA H 1 4.247 0.000 . 1 . . . . . 113 Asn HA . 19908 1 621 . 1 1 117 117 ASN C C 13 178.654 0.000 . 1 . . . . . 113 Asn C . 19908 1 622 . 1 1 117 117 ASN CA C 13 55.807 0.004 . 1 . . . . . 113 Asn CA . 19908 1 623 . 1 1 117 117 ASN CB C 13 37.588 0.000 . 1 . . . . . 113 Asn CB . 19908 1 624 . 1 1 117 117 ASN N N 15 118.684 0.002 . 1 . . . . . 113 Asn N . 19908 1 625 . 1 1 118 118 VAL H H 1 7.333 0.014 . 1 . . . . . 114 Val H . 19908 1 626 . 1 1 118 118 VAL HA H 1 3.895 0.000 . 1 . . . . . 114 Val HA . 19908 1 627 . 1 1 118 118 VAL C C 13 177.687 0.000 . 1 . . . . . 114 Val C . 19908 1 628 . 1 1 118 118 VAL CA C 13 64.880 0.000 . 1 . . . . . 114 Val CA . 19908 1 629 . 1 1 118 118 VAL CB C 13 31.612 0.000 . 1 . . . . . 114 Val CB . 19908 1 630 . 1 1 118 118 VAL N N 15 116.724 0.032 . 1 . . . . . 114 Val N . 19908 1 631 . 1 1 119 119 LEU H H 1 7.366 0.003 . 1 . . . . . 115 Leu H . 19908 1 632 . 1 1 119 119 LEU HA H 1 4.128 0.000 . 1 . . . . . 115 Leu HA . 19908 1 633 . 1 1 119 119 LEU C C 13 177.392 0.000 . 1 . . . . . 115 Leu C . 19908 1 634 . 1 1 119 119 LEU CA C 13 55.956 0.003 . 1 . . . . . 115 Leu CA . 19908 1 635 . 1 1 119 119 LEU CB C 13 42.000 0.000 . 1 . . . . . 115 Leu CB . 19908 1 636 . 1 1 119 119 LEU N N 15 118.460 0.002 . 1 . . . . . 115 Leu N . 19908 1 637 . 1 1 120 120 LYS H H 1 6.889 0.017 . 1 . . . . . 116 Lys H . 19908 1 638 . 1 1 120 120 LYS HA H 1 3.647 0.000 . 1 . . . . . 116 Lys HA . 19908 1 639 . 1 1 120 120 LYS C C 13 175.364 0.000 . 1 . . . . . 116 Lys C . 19908 1 640 . 1 1 120 120 LYS CA C 13 56.802 0.000 . 1 . . . . . 116 Lys CA . 19908 1 641 . 1 1 120 120 LYS CB C 13 32.331 0.000 . 1 . . . . . 116 Lys CB . 19908 1 642 . 1 1 120 120 LYS N N 15 116.140 0.030 . 1 . . . . . 116 Lys N . 19908 1 643 . 1 1 121 121 GLN H H 1 7.295 0.004 . 1 . . . . . 117 Gln H . 19908 1 644 . 1 1 121 121 GLN HA H 1 4.019 0.000 . 1 . . . . . 117 Gln HA . 19908 1 645 . 1 1 121 121 GLN CA C 13 57.628 0.004 . 1 . . . . . 117 Gln CA . 19908 1 646 . 1 1 121 121 GLN CB C 13 29.864 0.000 . 1 . . . . . 117 Gln CB . 19908 1 647 . 1 1 121 121 GLN N N 15 124.400 0.004 . 1 . . . . . 117 Gln N . 19908 1 stop_ save_