data_19792 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19792 _Entry.Title ; NMR structure of the RRM domain of RBMX from homo sapiens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-14 _Entry.Accession_date 2014-02-14 _Entry.Last_release_date 2014-03-10 _Entry.Original_release_date 2014-03-10 _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 NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Pedro Serrano . . . 19792 2 Michael Geralt . . . 19792 3 Kurt Wuthrich . . . 19792 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Joint Center for Structural Genomics' . 19792 2 PSI:Biology 'Partnership for T-Cell Biology' . 19792 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PSI:Biology . 19792 RBMX . 19792 'RNA binding protein' . 19792 RRM . 19792 T-Cell . 19792 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19792 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 19792 '15N chemical shifts' 92 19792 '1H chemical shifts' 581 19792 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 . . 2014-03-10 2014-02-12 original author . 19792 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MKS 'BMRB Entry Tracking System' 19792 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19792 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the first RRM domain of the protein RBM39 from homo sapiens' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Pedro Serrano . . . 19792 1 2 Kurt Wuthrich . . . 19792 1 3 Michael Geralt . . . 19792 1 4 Samit Dutta . K. . 19792 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19792 _Assembly.ID 1 _Assembly.Name RBMX _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RBMX 1 $entity A . yes native no no . . . 19792 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19792 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMVEADRPGKLFIGGLNTE TNEKALEAVFGKYGRIVEVL LMKDRETNKSRGFAFVTFES PADAKDAARDMNGKSLDGKA IKVEQATKPSFE ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10093.535 _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 19382 . hnRNP_G_RRM . . . . . 97.83 95 100.00 100.00 2.50e-56 . . . . 19792 1 2 no PDB 2MB0 . "Solution Structure Of Hnrnp G Rrm In Complex With The Rna 5'-aucaaa-3'" . . . . . 97.83 95 100.00 100.00 2.50e-56 . . . . 19792 1 3 no PDB 2MKS . "Nmr Structure Of The Rrm Domain Of Rbmx From Homo Sapiens" . . . . . 100.00 92 100.00 100.00 1.35e-58 . . . . 19792 1 4 no DBJ BAC31099 . "unnamed protein product [Mus musculus]" . . . . . 97.83 388 98.89 100.00 3.50e-48 . . . . 19792 1 5 no DBJ BAE00972 . "unnamed protein product [Macaca fascicularis]" . . . . . 97.83 391 100.00 100.00 2.98e-48 . . . . 19792 1 6 no DBJ BAE22448 . "unnamed protein product [Mus musculus]" . . . . . 97.83 391 100.00 100.00 3.60e-48 . . . . 19792 1 7 no DBJ BAE37998 . "unnamed protein product [Mus musculus]" . . . . . 97.83 289 100.00 100.00 1.86e-55 . . . . 19792 1 8 no DBJ BAF62396 . "RNA binding motif protein, X-linked [Pan troglodytes verus]" . . . . . 97.83 391 100.00 100.00 3.60e-48 . . . . 19792 1 9 no EMBL CAA80599 . "hnRNP G protein [Homo sapiens]" . . . . . 97.83 391 100.00 100.00 4.54e-48 . . . . 19792 1 10 no EMBL CAB51361 . "heterogeneous nuclear ribonucleoprotein G [Mus musculus]" . . . . . 97.83 289 100.00 100.00 1.86e-55 . . . . 19792 1 11 no EMBL CAB51362 . "heterogeneous nuclear ribonucleoprotein G [Mus musculus]" . . . . . 97.83 391 100.00 100.00 3.60e-48 . . . . 19792 1 12 no EMBL CAG31684 . "hypothetical protein RCJMB04_9j22 [Gallus gallus]" . . . . . 97.83 385 100.00 100.00 5.71e-48 . . . . 19792 1 13 no EMBL CAI46148 . "hypothetical protein [Homo sapiens]" . . . . . 97.83 390 97.78 98.89 2.55e-47 . . . . 19792 1 14 no GB AAH03710 . "RNA binding motif protein, X chromosome [Mus musculus]" . . . . . 97.83 391 100.00 100.00 3.60e-48 . . . . 19792 1 15 no GB AAH06550 . "RNA binding motif protein, X-linked [Homo sapiens]" . . . . . 97.83 391 100.00 100.00 3.60e-48 . . . . 19792 1 16 no GB AAH07435 . "RNA binding motif protein, X-linked [Homo sapiens]" . . . . . 97.83 391 100.00 100.00 3.60e-48 . . . . 19792 1 17 no GB AAH11441 . "Rbmxrt protein [Mus musculus]" . . . . . 97.83 388 98.89 100.00 3.50e-48 . . . . 19792 1 18 no GB AAH12942 . "Cysteine conjugate-beta lyase 2 [Homo sapiens]" . . . . . 97.83 390 97.78 98.89 2.55e-47 . . . . 19792 1 19 no PIR S41766 . "heterogeneous nuclear ribonucleoprotein G - human" . . . . . 97.83 437 100.00 100.00 5.01e-54 . . . . 19792 1 20 no REF NP_001020834 . "RNA-binding motif protein, X chromosome [Rattus norvegicus]" . . . . . 97.83 390 100.00 100.00 2.92e-48 . . . . 19792 1 21 no REF NP_001073196 . "heterogeneous nuclear ribonucleoprotein G [Gallus gallus]" . . . . . 97.83 385 100.00 100.00 5.71e-48 . . . . 19792 1 22 no REF NP_001100890 . "RNA-binding motif protein, X chromosome retrogene-like [Rattus norvegicus]" . . . . . 97.83 388 97.78 98.89 1.13e-47 . . . . 19792 1 23 no REF NP_001128678 . "RNA-binding motif protein, X chromosome [Pan troglodytes]" . . . . . 97.83 391 100.00 100.00 3.60e-48 . . . . 19792 1 24 no REF NP_001156008 . "RNA binding motif protein, X-linked-like-1 [Homo sapiens]" . . . . . 97.83 390 97.78 98.89 2.55e-47 . . . . 19792 1 25 no SP A5A6M3 . "RecName: Full=RNA-binding motif protein, X chromosome; AltName: Full=Heterogeneous nuclear ribonucleoprotein G; Short=hnRNP G; " . . . . . 97.83 391 100.00 100.00 3.60e-48 . . . . 19792 1 26 no SP D4AE41 . "RecName: Full=RNA binding motif protein, X-linked-like-1; AltName: Full=Heterogeneous nuclear ribonucleoprotein G-like 1; Conta" . . . . . 97.83 388 97.78 98.89 5.46e-48 . . . . 19792 1 27 no SP P38159 . "RecName: Full=RNA-binding motif protein, X chromosome; AltName: Full=Glycoprotein p43; AltName: Full=Heterogeneous nuclear ribo" . . . . . 97.83 391 100.00 100.00 3.60e-48 . . . . 19792 1 28 no SP P84586 . "RecName: Full=RNA-binding motif protein, X chromosome retrogene-like; AltName: Full=Heterogeneous nuclear ribonucleoprotein G r" . . . . . 97.83 388 97.78 98.89 1.13e-47 . . . . 19792 1 29 no SP Q4R7F0 . "RecName: Full=RNA-binding motif protein, X chromosome; AltName: Full=Heterogeneous nuclear ribonucleoprotein G; Short=hnRNP G; " . . . . . 97.83 391 100.00 100.00 2.98e-48 . . . . 19792 1 30 no TPG DAA13328 . "TPA: RNA binding motif protein, X-linked isoform 1 [Bos taurus]" . . . . . 97.83 391 100.00 100.00 2.85e-48 . . . . 19792 1 31 no TPG DAA13329 . "TPA: RNA binding motif protein, X-linked isoform 2 [Bos taurus]" . . . . . 55.43 352 100.00 100.00 3.54e-22 . . . . 19792 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 . GLY . 19792 1 2 . HIS . 19792 1 3 . MET . 19792 1 4 . VAL . 19792 1 5 . GLU . 19792 1 6 . ALA . 19792 1 7 . ASP . 19792 1 8 . ARG . 19792 1 9 . PRO . 19792 1 10 . GLY . 19792 1 11 . LYS . 19792 1 12 . LEU . 19792 1 13 . PHE . 19792 1 14 . ILE . 19792 1 15 . GLY . 19792 1 16 . GLY . 19792 1 17 . LEU . 19792 1 18 . ASN . 19792 1 19 . THR . 19792 1 20 . GLU . 19792 1 21 . THR . 19792 1 22 . ASN . 19792 1 23 . GLU . 19792 1 24 . LYS . 19792 1 25 . ALA . 19792 1 26 . LEU . 19792 1 27 . GLU . 19792 1 28 . ALA . 19792 1 29 . VAL . 19792 1 30 . PHE . 19792 1 31 . GLY . 19792 1 32 . LYS . 19792 1 33 . TYR . 19792 1 34 . GLY . 19792 1 35 . ARG . 19792 1 36 . ILE . 19792 1 37 . VAL . 19792 1 38 . GLU . 19792 1 39 . VAL . 19792 1 40 . LEU . 19792 1 41 . LEU . 19792 1 42 . MET . 19792 1 43 . LYS . 19792 1 44 . ASP . 19792 1 45 . ARG . 19792 1 46 . GLU . 19792 1 47 . THR . 19792 1 48 . ASN . 19792 1 49 . LYS . 19792 1 50 . SER . 19792 1 51 . ARG . 19792 1 52 . GLY . 19792 1 53 . PHE . 19792 1 54 . ALA . 19792 1 55 . PHE . 19792 1 56 . VAL . 19792 1 57 . THR . 19792 1 58 . PHE . 19792 1 59 . GLU . 19792 1 60 . SER . 19792 1 61 . PRO . 19792 1 62 . ALA . 19792 1 63 . ASP . 19792 1 64 . ALA . 19792 1 65 . LYS . 19792 1 66 . ASP . 19792 1 67 . ALA . 19792 1 68 . ALA . 19792 1 69 . ARG . 19792 1 70 . ASP . 19792 1 71 . MET . 19792 1 72 . ASN . 19792 1 73 . GLY . 19792 1 74 . LYS . 19792 1 75 . SER . 19792 1 76 . LEU . 19792 1 77 . ASP . 19792 1 78 . GLY . 19792 1 79 . LYS . 19792 1 80 . ALA . 19792 1 81 . ILE . 19792 1 82 . LYS . 19792 1 83 . VAL . 19792 1 84 . GLU . 19792 1 85 . GLN . 19792 1 86 . ALA . 19792 1 87 . THR . 19792 1 88 . LYS . 19792 1 89 . PRO . 19792 1 90 . SER . 19792 1 91 . PHE . 19792 1 92 . GLU . 19792 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 . GLY 1 1 19792 1 . HIS 2 2 19792 1 . MET 3 3 19792 1 . VAL 4 4 19792 1 . GLU 5 5 19792 1 . ALA 6 6 19792 1 . ASP 7 7 19792 1 . ARG 8 8 19792 1 . PRO 9 9 19792 1 . GLY 10 10 19792 1 . LYS 11 11 19792 1 . LEU 12 12 19792 1 . PHE 13 13 19792 1 . ILE 14 14 19792 1 . GLY 15 15 19792 1 . GLY 16 16 19792 1 . LEU 17 17 19792 1 . ASN 18 18 19792 1 . THR 19 19 19792 1 . GLU 20 20 19792 1 . THR 21 21 19792 1 . ASN 22 22 19792 1 . GLU 23 23 19792 1 . LYS 24 24 19792 1 . ALA 25 25 19792 1 . LEU 26 26 19792 1 . GLU 27 27 19792 1 . ALA 28 28 19792 1 . VAL 29 29 19792 1 . PHE 30 30 19792 1 . GLY 31 31 19792 1 . LYS 32 32 19792 1 . TYR 33 33 19792 1 . GLY 34 34 19792 1 . ARG 35 35 19792 1 . ILE 36 36 19792 1 . VAL 37 37 19792 1 . GLU 38 38 19792 1 . VAL 39 39 19792 1 . LEU 40 40 19792 1 . LEU 41 41 19792 1 . MET 42 42 19792 1 . LYS 43 43 19792 1 . ASP 44 44 19792 1 . ARG 45 45 19792 1 . GLU 46 46 19792 1 . THR 47 47 19792 1 . ASN 48 48 19792 1 . LYS 49 49 19792 1 . SER 50 50 19792 1 . ARG 51 51 19792 1 . GLY 52 52 19792 1 . PHE 53 53 19792 1 . ALA 54 54 19792 1 . PHE 55 55 19792 1 . VAL 56 56 19792 1 . THR 57 57 19792 1 . PHE 58 58 19792 1 . GLU 59 59 19792 1 . SER 60 60 19792 1 . PRO 61 61 19792 1 . ALA 62 62 19792 1 . ASP 63 63 19792 1 . ALA 64 64 19792 1 . LYS 65 65 19792 1 . ASP 66 66 19792 1 . ALA 67 67 19792 1 . ALA 68 68 19792 1 . ARG 69 69 19792 1 . ASP 70 70 19792 1 . MET 71 71 19792 1 . ASN 72 72 19792 1 . GLY 73 73 19792 1 . LYS 74 74 19792 1 . SER 75 75 19792 1 . LEU 76 76 19792 1 . ASP 77 77 19792 1 . GLY 78 78 19792 1 . LYS 79 79 19792 1 . ALA 80 80 19792 1 . ILE 81 81 19792 1 . LYS 82 82 19792 1 . VAL 83 83 19792 1 . GLU 84 84 19792 1 . GLN 85 85 19792 1 . ALA 86 86 19792 1 . THR 87 87 19792 1 . LYS 88 88 19792 1 . PRO 89 89 19792 1 . SER 90 90 19792 1 . PHE 91 91 19792 1 . GLU 92 92 19792 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 19792 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19792 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 19792 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pSpeedET . . . . . . 19792 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19792 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 19792 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19792 1 3 'sodium acetate' '[U-99% 2H]' . . . . . . 10 . . mM . . . . 19792 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19792 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19792 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 19792 _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' 0.220 . M 19792 1 pH 5 . pH 19792 1 pressure 1 . atm 19792 1 temperature 298 . K 19792 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19792 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 19792 1 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 19792 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19792 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19792 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19792 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19792 2 processing 19792 2 stop_ save_ save_CAra _Software.Sf_category software _Software.Sf_framecode CAra _Software.Entry_ID 19792 _Software.ID 3 _Software.Name CAra _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19792 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19792 3 'data analysis' 19792 3 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 19792 _Software.ID 4 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'UNIO Herrmann and Wuthrich' . . 19792 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19792 4 'structure solution' 19792 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Avance601 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance601 _NMR_spectrometer.Entry_ID 19792 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Avance800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance800 _NMR_spectrometer.Entry_ID 19792 _NMR_spectrometer.ID 2 _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 19792 _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 Avance601 Bruker Avance . 600 . . . 19792 1 2 Avance800 Bruker Avance . 800 . . . 19792 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 19792 _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_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19792 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19792 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19792 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19792 1 5 '4D APSY HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19792 1 6 '5D APSY CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19792 1 7 '5D APSY HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19792 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 19792 _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 . . . . . . . . . 19792 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19792 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19792 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 19792 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19792 1 2 '3D 1H-13C NOESY aliphatic' . . . 19792 1 3 '3D 1H-13C NOESY aromatic' . . . 19792 1 4 '3D 1H-15N NOESY' . . . 19792 1 5 '4D APSY HACANH' . . . 19792 1 6 '5D APSY CBCACONH' . . . 19792 1 7 '5D APSY HACACONH' . . . 19792 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 2 2 HIS HA H 1 4.596 0.000 . . . . . A 2 HIS HA . 19792 1 2 . 1 1 2 2 HIS HD2 H 1 7.022 0.000 . . . . . A 2 HIS HD2 . 19792 1 3 . 1 1 2 2 HIS HE1 H 1 8.070 0.000 . . . . . A 2 HIS HE1 . 19792 1 4 . 1 1 2 2 HIS C C 13 171.930 0.000 . . . . . A 2 HIS C . 19792 1 5 . 1 1 2 2 HIS CA C 13 52.879 0.000 . . . . . A 2 HIS CA . 19792 1 6 . 1 1 2 2 HIS CB C 13 27.693 0.000 . . . . . A 2 HIS CB . 19792 1 7 . 1 1 2 2 HIS CD2 C 13 117.060 0.000 . . . . . A 2 HIS CD2 . 19792 1 8 . 1 1 2 2 HIS CE1 C 13 134.777 0.000 . . . . . A 2 HIS CE1 . 19792 1 9 . 1 1 3 3 MET H H 1 8.407 0.000 . . . . . A 3 MET H . 19792 1 10 . 1 1 3 3 MET HA H 1 4.365 0.000 . . . . . A 3 MET HA . 19792 1 11 . 1 1 3 3 MET HB2 H 1 1.859 0.000 . . . . . A 3 MET HB2 . 19792 1 12 . 1 1 3 3 MET HE1 H 1 1.959 0.000 . . . . . A 3 MET QE . 19792 1 13 . 1 1 3 3 MET HE2 H 1 1.959 0.000 . . . . . A 3 MET QE . 19792 1 14 . 1 1 3 3 MET HE3 H 1 1.959 0.000 . . . . . A 3 MET QE . 19792 1 15 . 1 1 3 3 MET C C 13 173.051 0.000 . . . . . A 3 MET C . 19792 1 16 . 1 1 3 3 MET CA C 13 52.457 0.000 . . . . . A 3 MET CA . 19792 1 17 . 1 1 3 3 MET CB C 13 30.267 0.000 . . . . . A 3 MET CB . 19792 1 18 . 1 1 3 3 MET CE C 13 14.238 0.000 . . . . . A 3 MET CE . 19792 1 19 . 1 1 3 3 MET N N 15 122.778 0.000 . . . . . A 3 MET N . 19792 1 20 . 1 1 4 4 VAL H H 1 8.170 0.000 . . . . . A 4 VAL H . 19792 1 21 . 1 1 4 4 VAL HA H 1 3.992 0.000 . . . . . A 4 VAL HA . 19792 1 22 . 1 1 4 4 VAL HB H 1 1.924 0.000 . . . . . A 4 VAL HB . 19792 1 23 . 1 1 4 4 VAL HG11 H 1 0.791 0.000 . . . . . A 4 VAL QG1 . 19792 1 24 . 1 1 4 4 VAL HG12 H 1 0.791 0.000 . . . . . A 4 VAL QG1 . 19792 1 25 . 1 1 4 4 VAL HG13 H 1 0.791 0.000 . . . . . A 4 VAL QG1 . 19792 1 26 . 1 1 4 4 VAL C C 13 173.161 0.000 . . . . . A 4 VAL C . 19792 1 27 . 1 1 4 4 VAL CA C 13 59.189 0.000 . . . . . A 4 VAL CA . 19792 1 28 . 1 1 4 4 VAL CB C 13 30.313 0.000 . . . . . A 4 VAL CB . 19792 1 29 . 1 1 4 4 VAL CG1 C 13 18.231 0.000 . . . . . A 4 VAL CG1 . 19792 1 30 . 1 1 4 4 VAL N N 15 121.985 0.000 . . . . . A 4 VAL N . 19792 1 31 . 1 1 5 5 GLU H H 1 8.469 0.000 . . . . . A 5 GLU H . 19792 1 32 . 1 1 5 5 GLU HA H 1 4.162 0.000 . . . . . A 5 GLU HA . 19792 1 33 . 1 1 5 5 GLU HB2 H 1 1.791 0.000 . . . . . A 5 GLU HB2 . 19792 1 34 . 1 1 5 5 GLU HB3 H 1 1.892 0.000 . . . . . A 5 GLU HB3 . 19792 1 35 . 1 1 5 5 GLU HG2 H 1 2.140 0.000 . . . . . A 5 GLU HG2 . 19792 1 36 . 1 1 5 5 GLU C C 13 173.208 0.000 . . . . . A 5 GLU C . 19792 1 37 . 1 1 5 5 GLU CA C 13 53.271 0.000 . . . . . A 5 GLU CA . 19792 1 38 . 1 1 5 5 GLU CB C 13 27.861 0.000 . . . . . A 5 GLU CB . 19792 1 39 . 1 1 5 5 GLU CG C 13 33.661 0.000 . . . . . A 5 GLU CG . 19792 1 40 . 1 1 5 5 GLU N N 15 124.990 0.000 . . . . . A 5 GLU N . 19792 1 41 . 1 1 6 6 ALA H H 1 8.229 0.000 . . . . . A 6 ALA H . 19792 1 42 . 1 1 6 6 ALA HA H 1 4.135 0.000 . . . . . A 6 ALA HA . 19792 1 43 . 1 1 6 6 ALA HB1 H 1 1.252 0.000 . . . . . A 6 ALA QB . 19792 1 44 . 1 1 6 6 ALA HB2 H 1 1.252 0.000 . . . . . A 6 ALA QB . 19792 1 45 . 1 1 6 6 ALA HB3 H 1 1.252 0.000 . . . . . A 6 ALA QB . 19792 1 46 . 1 1 6 6 ALA C C 13 174.516 0.000 . . . . . A 6 ALA C . 19792 1 47 . 1 1 6 6 ALA CA C 13 49.571 0.000 . . . . . A 6 ALA CA . 19792 1 48 . 1 1 6 6 ALA CB C 13 16.604 0.000 . . . . . A 6 ALA CB . 19792 1 49 . 1 1 6 6 ALA N N 15 124.750 0.000 . . . . . A 6 ALA N . 19792 1 50 . 1 1 7 7 ASP H H 1 8.172 0.000 . . . . . A 7 ASP H . 19792 1 51 . 1 1 7 7 ASP HA H 1 4.430 0.000 . . . . . A 7 ASP HA . 19792 1 52 . 1 1 7 7 ASP HB2 H 1 2.487 0.000 . . . . . A 7 ASP HB2 . 19792 1 53 . 1 1 7 7 ASP HB3 H 1 2.435 0.000 . . . . . A 7 ASP HB3 . 19792 1 54 . 1 1 7 7 ASP C C 13 173.005 0.000 . . . . . A 7 ASP C . 19792 1 55 . 1 1 7 7 ASP CA C 13 51.032 0.000 . . . . . A 7 ASP CA . 19792 1 56 . 1 1 7 7 ASP CB C 13 38.658 0.000 . . . . . A 7 ASP CB . 19792 1 57 . 1 1 7 7 ASP N N 15 119.477 0.000 . . . . . A 7 ASP N . 19792 1 58 . 1 1 8 8 ARG H H 1 8.168 0.000 . . . . . A 8 ARG H . 19792 1 59 . 1 1 8 8 ARG HA H 1 4.103 0.000 . . . . . A 8 ARG HA . 19792 1 60 . 1 1 8 8 ARG HB2 H 1 1.728 0.000 . . . . . A 8 ARG QB . 19792 1 61 . 1 1 8 8 ARG HB3 H 1 1.728 0.000 . . . . . A 8 ARG QB . 19792 1 62 . 1 1 8 8 ARG HG2 H 1 1.594 0.000 . . . . . A 8 ARG QG . 19792 1 63 . 1 1 8 8 ARG HG3 H 1 1.594 0.000 . . . . . A 8 ARG QG . 19792 1 64 . 1 1 8 8 ARG HD2 H 1 3.139 0.000 . . . . . A 8 ARG QD . 19792 1 65 . 1 1 8 8 ARG HD3 H 1 3.139 0.000 . . . . . A 8 ARG QD . 19792 1 66 . 1 1 8 8 ARG CA C 13 54.708 0.000 . . . . . A 8 ARG CA . 19792 1 67 . 1 1 8 8 ARG CB C 13 27.813 0.000 . . . . . A 8 ARG CB . 19792 1 68 . 1 1 8 8 ARG CG C 13 25.060 0.000 . . . . . A 8 ARG CG . 19792 1 69 . 1 1 8 8 ARG CD C 13 40.508 0.000 . . . . . A 8 ARG CD . 19792 1 70 . 1 1 8 8 ARG N N 15 121.454 0.000 . . . . . A 8 ARG N . 19792 1 71 . 1 1 9 9 PRO HA H 1 4.413 0.000 . . . . . A 9 PRO HA . 19792 1 72 . 1 1 9 9 PRO HB2 H 1 2.252 0.000 . . . . . A 9 PRO HB2 . 19792 1 73 . 1 1 9 9 PRO HG2 H 1 1.785 0.000 . . . . . A 9 PRO QG . 19792 1 74 . 1 1 9 9 PRO HG3 H 1 1.785 0.000 . . . . . A 9 PRO QG . 19792 1 75 . 1 1 9 9 PRO HD2 H 1 3.698 0.000 . . . . . A 9 PRO HD2 . 19792 1 76 . 1 1 9 9 PRO HD3 H 1 3.565 0.000 . . . . . A 9 PRO HD3 . 19792 1 77 . 1 1 9 9 PRO C C 13 174.662 0.000 . . . . . A 9 PRO C . 19792 1 78 . 1 1 9 9 PRO CA C 13 60.806 0.000 . . . . . A 9 PRO CA . 19792 1 79 . 1 1 9 9 PRO CB C 13 29.471 0.000 . . . . . A 9 PRO CB . 19792 1 80 . 1 1 9 9 PRO CG C 13 29.316 0.000 . . . . . A 9 PRO CG . 19792 1 81 . 1 1 9 9 PRO CD C 13 47.671 0.000 . . . . . A 9 PRO CD . 19792 1 82 . 1 1 10 10 GLY H H 1 8.769 0.000 . . . . . A 10 GLY H . 19792 1 83 . 1 1 10 10 GLY HA2 H 1 3.849 0.000 . . . . . A 10 GLY QA . 19792 1 84 . 1 1 10 10 GLY HA3 H 1 3.849 0.000 . . . . . A 10 GLY QA . 19792 1 85 . 1 1 10 10 GLY C C 13 169.715 0.000 . . . . . A 10 GLY C . 19792 1 86 . 1 1 10 10 GLY CA C 13 42.529 0.000 . . . . . A 10 GLY CA . 19792 1 87 . 1 1 10 10 GLY N N 15 108.287 0.000 . . . . . A 10 GLY N . 19792 1 88 . 1 1 11 11 LYS H H 1 7.753 0.000 . . . . . A 11 LYS H . 19792 1 89 . 1 1 11 11 LYS HA H 1 4.864 0.000 . . . . . A 11 LYS HA . 19792 1 90 . 1 1 11 11 LYS HB2 H 1 1.923 0.000 . . . . . A 11 LYS HB2 . 19792 1 91 . 1 1 11 11 LYS HB3 H 1 1.490 0.000 . . . . . A 11 LYS HB3 . 19792 1 92 . 1 1 11 11 LYS HG3 H 1 1.348 0.000 . . . . . A 11 LYS HG3 . 19792 1 93 . 1 1 11 11 LYS HD2 H 1 1.348 0.000 . . . . . A 11 LYS HD2 . 19792 1 94 . 1 1 11 11 LYS C C 13 172.419 0.000 . . . . . A 11 LYS C . 19792 1 95 . 1 1 11 11 LYS CA C 13 53.417 0.000 . . . . . A 11 LYS CA . 19792 1 96 . 1 1 11 11 LYS CB C 13 32.058 0.000 . . . . . A 11 LYS CB . 19792 1 97 . 1 1 11 11 LYS CD C 13 27.105 0.000 . . . . . A 11 LYS CD . 19792 1 98 . 1 1 11 11 LYS N N 15 122.177 0.000 . . . . . A 11 LYS N . 19792 1 99 . 1 1 12 12 LEU H H 1 9.465 0.000 . . . . . A 12 LEU H . 19792 1 100 . 1 1 12 12 LEU HA H 1 4.939 0.000 . . . . . A 12 LEU HA . 19792 1 101 . 1 1 12 12 LEU HB2 H 1 1.705 0.000 . . . . . A 12 LEU HB2 . 19792 1 102 . 1 1 12 12 LEU HB3 H 1 1.140 0.000 . . . . . A 12 LEU HB3 . 19792 1 103 . 1 1 12 12 LEU HG H 1 1.771 0.000 . . . . . A 12 LEU HG . 19792 1 104 . 1 1 12 12 LEU HD11 H 1 0.827 0.000 . . . . . A 12 LEU QD1 . 19792 1 105 . 1 1 12 12 LEU HD12 H 1 0.827 0.000 . . . . . A 12 LEU QD1 . 19792 1 106 . 1 1 12 12 LEU HD13 H 1 0.827 0.000 . . . . . A 12 LEU QD1 . 19792 1 107 . 1 1 12 12 LEU HD21 H 1 0.659 0.000 . . . . . A 12 LEU QD2 . 19792 1 108 . 1 1 12 12 LEU HD22 H 1 0.659 0.000 . . . . . A 12 LEU QD2 . 19792 1 109 . 1 1 12 12 LEU HD23 H 1 0.659 0.000 . . . . . A 12 LEU QD2 . 19792 1 110 . 1 1 12 12 LEU C C 13 173.185 0.000 . . . . . A 12 LEU C . 19792 1 111 . 1 1 12 12 LEU CA C 13 50.301 0.000 . . . . . A 12 LEU CA . 19792 1 112 . 1 1 12 12 LEU CB C 13 42.075 0.000 . . . . . A 12 LEU CB . 19792 1 113 . 1 1 12 12 LEU CG C 13 23.715 0.000 . . . . . A 12 LEU CG . 19792 1 114 . 1 1 12 12 LEU CD1 C 13 23.867 0.000 . . . . . A 12 LEU CD1 . 19792 1 115 . 1 1 12 12 LEU CD2 C 13 20.174 0.000 . . . . . A 12 LEU CD2 . 19792 1 116 . 1 1 12 12 LEU N N 15 127.116 0.000 . . . . . A 12 LEU N . 19792 1 117 . 1 1 13 13 PHE H H 1 9.213 0.000 . . . . . A 13 PHE H . 19792 1 118 . 1 1 13 13 PHE HA H 1 4.712 0.000 . . . . . A 13 PHE HA . 19792 1 119 . 1 1 13 13 PHE HB2 H 1 2.974 0.000 . . . . . A 13 PHE HB2 . 19792 1 120 . 1 1 13 13 PHE HB3 H 1 2.753 0.000 . . . . . A 13 PHE HB3 . 19792 1 121 . 1 1 13 13 PHE HD1 H 1 6.781 0.000 . . . . . A 13 PHE QD . 19792 1 122 . 1 1 13 13 PHE HD2 H 1 6.781 0.000 . . . . . A 13 PHE QD . 19792 1 123 . 1 1 13 13 PHE HE1 H 1 7.423 0.000 . . . . . A 13 PHE QE . 19792 1 124 . 1 1 13 13 PHE HE2 H 1 7.423 0.000 . . . . . A 13 PHE QE . 19792 1 125 . 1 1 13 13 PHE C C 13 170.330 0.000 . . . . . A 13 PHE C . 19792 1 126 . 1 1 13 13 PHE CA C 13 54.041 0.000 . . . . . A 13 PHE CA . 19792 1 127 . 1 1 13 13 PHE CB C 13 38.520 0.000 . . . . . A 13 PHE CB . 19792 1 128 . 1 1 13 13 PHE CD1 C 13 129.133 0.000 . . . . . A 13 PHE CD1 . 19792 1 129 . 1 1 13 13 PHE CD2 C 13 129.133 0.000 . . . . . A 13 PHE CD2 . 19792 1 130 . 1 1 13 13 PHE CE2 C 13 128.738 0.000 . . . . . A 13 PHE CE2 . 19792 1 131 . 1 1 13 13 PHE N N 15 122.922 0.000 . . . . . A 13 PHE N . 19792 1 132 . 1 1 14 14 ILE H H 1 8.304 0.000 . . . . . A 14 ILE H . 19792 1 133 . 1 1 14 14 ILE HA H 1 4.815 0.000 . . . . . A 14 ILE HA . 19792 1 134 . 1 1 14 14 ILE HB H 1 1.334 0.000 . . . . . A 14 ILE HB . 19792 1 135 . 1 1 14 14 ILE HG12 H 1 0.846 0.000 . . . . . A 14 ILE HG12 . 19792 1 136 . 1 1 14 14 ILE HG13 H 1 0.968 0.000 . . . . . A 14 ILE HG13 . 19792 1 137 . 1 1 14 14 ILE HG21 H 1 0.665 0.000 . . . . . A 14 ILE QG2 . 19792 1 138 . 1 1 14 14 ILE HG22 H 1 0.665 0.000 . . . . . A 14 ILE QG2 . 19792 1 139 . 1 1 14 14 ILE HG23 H 1 0.665 0.000 . . . . . A 14 ILE QG2 . 19792 1 140 . 1 1 14 14 ILE HD11 H 1 0.125 0.000 . . . . . A 14 ILE QD1 . 19792 1 141 . 1 1 14 14 ILE HD12 H 1 0.125 0.000 . . . . . A 14 ILE QD1 . 19792 1 142 . 1 1 14 14 ILE HD13 H 1 0.125 0.000 . . . . . A 14 ILE QD1 . 19792 1 143 . 1 1 14 14 ILE C C 13 171.441 0.000 . . . . . A 14 ILE C . 19792 1 144 . 1 1 14 14 ILE CA C 13 55.411 0.000 . . . . . A 14 ILE CA . 19792 1 145 . 1 1 14 14 ILE CB C 13 36.448 0.000 . . . . . A 14 ILE CB . 19792 1 146 . 1 1 14 14 ILE CG1 C 13 25.697 0.000 . . . . . A 14 ILE CG1 . 19792 1 147 . 1 1 14 14 ILE CG2 C 13 16.915 0.000 . . . . . A 14 ILE CG2 . 19792 1 148 . 1 1 14 14 ILE CD1 C 13 12.097 0.000 . . . . . A 14 ILE CD1 . 19792 1 149 . 1 1 14 14 ILE N N 15 128.128 0.000 . . . . . A 14 ILE N . 19792 1 150 . 1 1 15 15 GLY H H 1 8.965 0.000 . . . . . A 15 GLY H . 19792 1 151 . 1 1 15 15 GLY HA2 H 1 3.540 0.000 . . . . . A 15 GLY HA2 . 19792 1 152 . 1 1 15 15 GLY HA3 H 1 4.640 0.000 . . . . . A 15 GLY HA3 . 19792 1 153 . 1 1 15 15 GLY C C 13 170.863 0.000 . . . . . A 15 GLY C . 19792 1 154 . 1 1 15 15 GLY CA C 13 40.913 0.000 . . . . . A 15 GLY CA . 19792 1 155 . 1 1 15 15 GLY N N 15 110.945 0.000 . . . . . A 15 GLY N . 19792 1 156 . 1 1 16 16 GLY H H 1 7.865 0.000 . . . . . A 16 GLY H . 19792 1 157 . 1 1 16 16 GLY HA2 H 1 4.069 0.000 . . . . . A 16 GLY HA2 . 19792 1 158 . 1 1 16 16 GLY HA3 H 1 3.591 0.000 . . . . . A 16 GLY HA3 . 19792 1 159 . 1 1 16 16 GLY C C 13 172.134 0.000 . . . . . A 16 GLY C . 19792 1 160 . 1 1 16 16 GLY CA C 13 42.862 0.000 . . . . . A 16 GLY CA . 19792 1 161 . 1 1 16 16 GLY N N 15 107.025 0.000 . . . . . A 16 GLY N . 19792 1 162 . 1 1 17 17 LEU H H 1 7.521 0.000 . . . . . A 17 LEU H . 19792 1 163 . 1 1 17 17 LEU HA H 1 3.912 0.000 . . . . . A 17 LEU HA . 19792 1 164 . 1 1 17 17 LEU HB2 H 1 1.251 0.000 . . . . . A 17 LEU HB2 . 19792 1 165 . 1 1 17 17 LEU HB3 H 1 0.947 0.000 . . . . . A 17 LEU HB3 . 19792 1 166 . 1 1 17 17 LEU HG H 1 1.117 0.000 . . . . . A 17 LEU HG . 19792 1 167 . 1 1 17 17 LEU HD11 H 1 0.315 0.000 . . . . . A 17 LEU QD1 . 19792 1 168 . 1 1 17 17 LEU HD12 H 1 0.315 0.000 . . . . . A 17 LEU QD1 . 19792 1 169 . 1 1 17 17 LEU HD13 H 1 0.315 0.000 . . . . . A 17 LEU QD1 . 19792 1 170 . 1 1 17 17 LEU HD21 H 1 0.731 0.000 . . . . . A 17 LEU QD2 . 19792 1 171 . 1 1 17 17 LEU HD22 H 1 0.731 0.000 . . . . . A 17 LEU QD2 . 19792 1 172 . 1 1 17 17 LEU HD23 H 1 0.731 0.000 . . . . . A 17 LEU QD2 . 19792 1 173 . 1 1 17 17 LEU C C 13 176.024 0.000 . . . . . A 17 LEU C . 19792 1 174 . 1 1 17 17 LEU CA C 13 51.583 0.000 . . . . . A 17 LEU CA . 19792 1 175 . 1 1 17 17 LEU CB C 13 40.169 0.000 . . . . . A 17 LEU CB . 19792 1 176 . 1 1 17 17 LEU CG C 13 24.163 0.000 . . . . . A 17 LEU CG . 19792 1 177 . 1 1 17 17 LEU CD1 C 13 23.817 0.000 . . . . . A 17 LEU CD1 . 19792 1 178 . 1 1 17 17 LEU CD2 C 13 21.844 0.000 . . . . . A 17 LEU CD2 . 19792 1 179 . 1 1 17 17 LEU N N 15 115.104 0.000 . . . . . A 17 LEU N . 19792 1 180 . 1 1 18 18 ASN H H 1 9.528 0.000 . . . . . A 18 ASN H . 19792 1 181 . 1 1 18 18 ASN HA H 1 4.386 0.000 . . . . . A 18 ASN HA . 19792 1 182 . 1 1 18 18 ASN HB2 H 1 2.482 0.000 . . . . . A 18 ASN HB2 . 19792 1 183 . 1 1 18 18 ASN HB3 H 1 3.396 0.000 . . . . . A 18 ASN HB3 . 19792 1 184 . 1 1 18 18 ASN HD21 H 1 7.068 0.000 . . . . . A 18 ASN HD21 . 19792 1 185 . 1 1 18 18 ASN HD22 H 1 8.089 0.000 . . . . . A 18 ASN HD22 . 19792 1 186 . 1 1 18 18 ASN C C 13 176.199 0.000 . . . . . A 18 ASN C . 19792 1 187 . 1 1 18 18 ASN CA C 13 50.302 0.000 . . . . . A 18 ASN CA . 19792 1 188 . 1 1 18 18 ASN CB C 13 35.692 0.000 . . . . . A 18 ASN CB . 19792 1 189 . 1 1 18 18 ASN N N 15 120.666 0.000 . . . . . A 18 ASN N . 19792 1 190 . 1 1 18 18 ASN ND2 N 15 113.698 0.000 . . . . . A 18 ASN ND2 . 19792 1 191 . 1 1 19 19 THR H H 1 8.809 0.000 . . . . . A 19 THR H . 19792 1 192 . 1 1 19 19 THR HA H 1 3.699 0.000 . . . . . A 19 THR HA . 19792 1 193 . 1 1 19 19 THR HB H 1 4.279 0.000 . . . . . A 19 THR HB . 19792 1 194 . 1 1 19 19 THR HG21 H 1 1.155 0.000 . . . . . A 19 THR QG2 . 19792 1 195 . 1 1 19 19 THR HG22 H 1 1.155 0.000 . . . . . A 19 THR QG2 . 19792 1 196 . 1 1 19 19 THR HG23 H 1 1.155 0.000 . . . . . A 19 THR QG2 . 19792 1 197 . 1 1 19 19 THR C C 13 172.195 0.000 . . . . . A 19 THR C . 19792 1 198 . 1 1 19 19 THR CA C 13 62.512 0.000 . . . . . A 19 THR CA . 19792 1 199 . 1 1 19 19 THR CB C 13 65.438 0.000 . . . . . A 19 THR CB . 19792 1 200 . 1 1 19 19 THR CG2 C 13 19.365 0.000 . . . . . A 19 THR CG2 . 19792 1 201 . 1 1 19 19 THR N N 15 123.230 0.000 . . . . . A 19 THR N . 19792 1 202 . 1 1 20 20 GLU H H 1 8.703 0.000 . . . . . A 20 GLU H . 19792 1 203 . 1 1 20 20 GLU HA H 1 4.176 0.000 . . . . . A 20 GLU HA . 19792 1 204 . 1 1 20 20 GLU HB2 H 1 2.046 0.000 . . . . . A 20 GLU HB2 . 19792 1 205 . 1 1 20 20 GLU HB3 H 1 1.595 0.000 . . . . . A 20 GLU HB3 . 19792 1 206 . 1 1 20 20 GLU HG2 H 1 1.972 0.000 . . . . . A 20 GLU HG2 . 19792 1 207 . 1 1 20 20 GLU C C 13 174.826 0.000 . . . . . A 20 GLU C . 19792 1 208 . 1 1 20 20 GLU CA C 13 53.181 0.000 . . . . . A 20 GLU CA . 19792 1 209 . 1 1 20 20 GLU CB C 13 27.076 0.000 . . . . . A 20 GLU CB . 19792 1 210 . 1 1 20 20 GLU CG C 13 29.199 0.000 . . . . . A 20 GLU CG . 19792 1 211 . 1 1 20 20 GLU N N 15 118.055 0.000 . . . . . A 20 GLU N . 19792 1 212 . 1 1 21 21 THR H H 1 7.514 0.000 . . . . . A 21 THR H . 19792 1 213 . 1 1 21 21 THR HA H 1 3.930 0.000 . . . . . A 21 THR HA . 19792 1 214 . 1 1 21 21 THR HB H 1 3.810 0.000 . . . . . A 21 THR HB . 19792 1 215 . 1 1 21 21 THR HG21 H 1 1.134 0.000 . . . . . A 21 THR QG2 . 19792 1 216 . 1 1 21 21 THR HG22 H 1 1.134 0.000 . . . . . A 21 THR QG2 . 19792 1 217 . 1 1 21 21 THR HG23 H 1 1.134 0.000 . . . . . A 21 THR QG2 . 19792 1 218 . 1 1 21 21 THR C C 13 171.688 0.000 . . . . . A 21 THR C . 19792 1 219 . 1 1 21 21 THR CA C 13 61.882 0.000 . . . . . A 21 THR CA . 19792 1 220 . 1 1 21 21 THR CB C 13 65.397 0.000 . . . . . A 21 THR CB . 19792 1 221 . 1 1 21 21 THR CG2 C 13 19.971 0.000 . . . . . A 21 THR CG2 . 19792 1 222 . 1 1 21 21 THR N N 15 119.209 0.000 . . . . . A 21 THR N . 19792 1 223 . 1 1 22 22 ASN H H 1 8.031 0.000 . . . . . A 22 ASN H . 19792 1 224 . 1 1 22 22 ASN HA H 1 4.769 0.000 . . . . . A 22 ASN HA . 19792 1 225 . 1 1 22 22 ASN HB2 H 1 2.782 0.000 . . . . . A 22 ASN HB2 . 19792 1 226 . 1 1 22 22 ASN HB3 H 1 3.211 0.000 . . . . . A 22 ASN HB3 . 19792 1 227 . 1 1 22 22 ASN HD21 H 1 6.678 0.000 . . . . . A 22 ASN HD21 . 19792 1 228 . 1 1 22 22 ASN HD22 H 1 7.670 0.000 . . . . . A 22 ASN HD22 . 19792 1 229 . 1 1 22 22 ASN C C 13 172.032 0.000 . . . . . A 22 ASN C . 19792 1 230 . 1 1 22 22 ASN CA C 13 47.706 0.000 . . . . . A 22 ASN CA . 19792 1 231 . 1 1 22 22 ASN CB C 13 37.373 0.000 . . . . . A 22 ASN CB . 19792 1 232 . 1 1 22 22 ASN N N 15 126.624 0.000 . . . . . A 22 ASN N . 19792 1 233 . 1 1 22 22 ASN ND2 N 15 111.427 0.000 . . . . . A 22 ASN ND2 . 19792 1 234 . 1 1 23 23 GLU H H 1 10.151 0.000 . . . . . A 23 GLU H . 19792 1 235 . 1 1 23 23 GLU HA H 1 3.567 0.000 . . . . . A 23 GLU HA . 19792 1 236 . 1 1 23 23 GLU HB2 H 1 1.967 0.000 . . . . . A 23 GLU HB2 . 19792 1 237 . 1 1 23 23 GLU HB3 H 1 1.860 0.000 . . . . . A 23 GLU HB3 . 19792 1 238 . 1 1 23 23 GLU HG2 H 1 2.535 0.000 . . . . . A 23 GLU HG2 . 19792 1 239 . 1 1 23 23 GLU HG3 H 1 1.977 0.000 . . . . . A 23 GLU HG3 . 19792 1 240 . 1 1 23 23 GLU CA C 13 58.784 0.000 . . . . . A 23 GLU CA . 19792 1 241 . 1 1 23 23 GLU CB C 13 25.862 0.000 . . . . . A 23 GLU CB . 19792 1 242 . 1 1 23 23 GLU CG C 13 35.055 0.000 . . . . . A 23 GLU CG . 19792 1 243 . 1 1 23 23 GLU N N 15 118.056 0.000 . . . . . A 23 GLU N . 19792 1 244 . 1 1 24 24 LYS H H 1 7.839 0.000 . . . . . A 24 LYS H . 19792 1 245 . 1 1 24 24 LYS HA H 1 4.005 0.000 . . . . . A 24 LYS HA . 19792 1 246 . 1 1 24 24 LYS HB2 H 1 1.932 0.000 . . . . . A 24 LYS HB2 . 19792 1 247 . 1 1 24 24 LYS HB3 H 1 1.790 0.000 . . . . . A 24 LYS HB3 . 19792 1 248 . 1 1 24 24 LYS HG3 H 1 1.733 0.000 . . . . . A 24 LYS HG3 . 19792 1 249 . 1 1 24 24 LYS HD2 H 1 2.020 0.000 . . . . . A 24 LYS QD . 19792 1 250 . 1 1 24 24 LYS HD3 H 1 2.020 0.000 . . . . . A 24 LYS QD . 19792 1 251 . 1 1 24 24 LYS C C 13 176.843 0.000 . . . . . A 24 LYS C . 19792 1 252 . 1 1 24 24 LYS CA C 13 55.731 0.000 . . . . . A 24 LYS CA . 19792 1 253 . 1 1 24 24 LYS CB C 13 29.371 0.000 . . . . . A 24 LYS CB . 19792 1 254 . 1 1 24 24 LYS CG C 13 28.773 0.000 . . . . . A 24 LYS CG . 19792 1 255 . 1 1 24 24 LYS N N 15 118.897 0.000 . . . . . A 24 LYS N . 19792 1 256 . 1 1 25 25 ALA H H 1 7.827 0.000 . . . . . A 25 ALA H . 19792 1 257 . 1 1 25 25 ALA HA H 1 4.169 0.000 . . . . . A 25 ALA HA . 19792 1 258 . 1 1 25 25 ALA HB1 H 1 1.533 0.000 . . . . . A 25 ALA QB . 19792 1 259 . 1 1 25 25 ALA HB2 H 1 1.533 0.000 . . . . . A 25 ALA QB . 19792 1 260 . 1 1 25 25 ALA HB3 H 1 1.533 0.000 . . . . . A 25 ALA QB . 19792 1 261 . 1 1 25 25 ALA C C 13 178.048 0.000 . . . . . A 25 ALA C . 19792 1 262 . 1 1 25 25 ALA CA C 13 51.868 0.000 . . . . . A 25 ALA CA . 19792 1 263 . 1 1 25 25 ALA CB C 13 16.139 0.000 . . . . . A 25 ALA CB . 19792 1 264 . 1 1 25 25 ALA N N 15 123.210 0.000 . . . . . A 25 ALA N . 19792 1 265 . 1 1 26 26 LEU H H 1 7.652 0.000 . . . . . A 26 LEU H . 19792 1 266 . 1 1 26 26 LEU HA H 1 4.024 0.000 . . . . . A 26 LEU HA . 19792 1 267 . 1 1 26 26 LEU HB2 H 1 1.958 0.000 . . . . . A 26 LEU HB2 . 19792 1 268 . 1 1 26 26 LEU HB3 H 1 1.032 0.000 . . . . . A 26 LEU HB3 . 19792 1 269 . 1 1 26 26 LEU HG H 1 1.599 0.000 . . . . . A 26 LEU HG . 19792 1 270 . 1 1 26 26 LEU HD11 H 1 0.641 0.000 . . . . . A 26 LEU QD1 . 19792 1 271 . 1 1 26 26 LEU HD12 H 1 0.641 0.000 . . . . . A 26 LEU QD1 . 19792 1 272 . 1 1 26 26 LEU HD13 H 1 0.641 0.000 . . . . . A 26 LEU QD1 . 19792 1 273 . 1 1 26 26 LEU HD21 H 1 0.410 0.000 . . . . . A 26 LEU QD2 . 19792 1 274 . 1 1 26 26 LEU HD22 H 1 0.410 0.000 . . . . . A 26 LEU QD2 . 19792 1 275 . 1 1 26 26 LEU HD23 H 1 0.410 0.000 . . . . . A 26 LEU QD2 . 19792 1 276 . 1 1 26 26 LEU C C 13 176.375 0.000 . . . . . A 26 LEU C . 19792 1 277 . 1 1 26 26 LEU CA C 13 54.958 0.000 . . . . . A 26 LEU CA . 19792 1 278 . 1 1 26 26 LEU CB C 13 39.701 0.000 . . . . . A 26 LEU CB . 19792 1 279 . 1 1 26 26 LEU CG C 13 23.818 0.000 . . . . . A 26 LEU CG . 19792 1 280 . 1 1 26 26 LEU CD1 C 13 20.794 0.000 . . . . . A 26 LEU CD1 . 19792 1 281 . 1 1 26 26 LEU CD2 C 13 22.940 0.000 . . . . . A 26 LEU CD2 . 19792 1 282 . 1 1 26 26 LEU N N 15 116.466 0.000 . . . . . A 26 LEU N . 19792 1 283 . 1 1 27 27 GLU H H 1 8.480 0.000 . . . . . A 27 GLU H . 19792 1 284 . 1 1 27 27 GLU HA H 1 3.591 0.000 . . . . . A 27 GLU HA . 19792 1 285 . 1 1 27 27 GLU HB2 H 1 2.041 0.000 . . . . . A 27 GLU HB2 . 19792 1 286 . 1 1 27 27 GLU HG2 H 1 2.047 0.000 . . . . . A 27 GLU HG2 . 19792 1 287 . 1 1 27 27 GLU HG3 H 1 2.189 0.000 . . . . . A 27 GLU HG3 . 19792 1 288 . 1 1 27 27 GLU C C 13 176.206 0.000 . . . . . A 27 GLU C . 19792 1 289 . 1 1 27 27 GLU CA C 13 57.072 0.000 . . . . . A 27 GLU CA . 19792 1 290 . 1 1 27 27 GLU CB C 13 27.067 0.000 . . . . . A 27 GLU CB . 19792 1 291 . 1 1 27 27 GLU CG C 13 33.865 0.000 . . . . . A 27 GLU CG . 19792 1 292 . 1 1 27 27 GLU N N 15 119.789 0.000 . . . . . A 27 GLU N . 19792 1 293 . 1 1 28 28 ALA H H 1 7.837 0.000 . . . . . A 28 ALA H . 19792 1 294 . 1 1 28 28 ALA HA H 1 4.039 0.000 . . . . . A 28 ALA HA . 19792 1 295 . 1 1 28 28 ALA HB1 H 1 1.451 0.000 . . . . . A 28 ALA QB . 19792 1 296 . 1 1 28 28 ALA HB2 H 1 1.451 0.000 . . . . . A 28 ALA QB . 19792 1 297 . 1 1 28 28 ALA HB3 H 1 1.451 0.000 . . . . . A 28 ALA QB . 19792 1 298 . 1 1 28 28 ALA C C 13 177.506 0.000 . . . . . A 28 ALA C . 19792 1 299 . 1 1 28 28 ALA CA C 13 51.907 0.000 . . . . . A 28 ALA CA . 19792 1 300 . 1 1 28 28 ALA CB C 13 15.407 0.000 . . . . . A 28 ALA CB . 19792 1 301 . 1 1 28 28 ALA N N 15 120.599 0.000 . . . . . A 28 ALA N . 19792 1 302 . 1 1 29 29 VAL H H 1 7.626 0.000 . . . . . A 29 VAL H . 19792 1 303 . 1 1 29 29 VAL HA H 1 3.826 0.000 . . . . . A 29 VAL HA . 19792 1 304 . 1 1 29 29 VAL HB H 1 1.921 0.000 . . . . . A 29 VAL HB . 19792 1 305 . 1 1 29 29 VAL HG11 H 1 0.969 0.000 . . . . . A 29 VAL QG1 . 19792 1 306 . 1 1 29 29 VAL HG12 H 1 0.969 0.000 . . . . . A 29 VAL QG1 . 19792 1 307 . 1 1 29 29 VAL HG13 H 1 0.969 0.000 . . . . . A 29 VAL QG1 . 19792 1 308 . 1 1 29 29 VAL HG21 H 1 0.612 0.000 . . . . . A 29 VAL QG2 . 19792 1 309 . 1 1 29 29 VAL HG22 H 1 0.612 0.000 . . . . . A 29 VAL QG2 . 19792 1 310 . 1 1 29 29 VAL HG23 H 1 0.612 0.000 . . . . . A 29 VAL QG2 . 19792 1 311 . 1 1 29 29 VAL C C 13 174.998 0.000 . . . . . A 29 VAL C . 19792 1 312 . 1 1 29 29 VAL CA C 13 61.999 0.000 . . . . . A 29 VAL CA . 19792 1 313 . 1 1 29 29 VAL CB C 13 29.878 0.000 . . . . . A 29 VAL CB . 19792 1 314 . 1 1 29 29 VAL CG1 C 13 19.569 0.000 . . . . . A 29 VAL CG1 . 19792 1 315 . 1 1 29 29 VAL CG2 C 13 18.168 0.000 . . . . . A 29 VAL CG2 . 19792 1 316 . 1 1 29 29 VAL N N 15 115.536 0.000 . . . . . A 29 VAL N . 19792 1 317 . 1 1 30 30 PHE H H 1 8.514 0.000 . . . . . A 30 PHE H . 19792 1 318 . 1 1 30 30 PHE HA H 1 4.482 0.000 . . . . . A 30 PHE HA . 19792 1 319 . 1 1 30 30 PHE HB2 H 1 2.932 0.000 . . . . . A 30 PHE HB2 . 19792 1 320 . 1 1 30 30 PHE HB3 H 1 3.221 0.000 . . . . . A 30 PHE HB3 . 19792 1 321 . 1 1 30 30 PHE HD1 H 1 7.513 0.000 . . . . . A 30 PHE QD . 19792 1 322 . 1 1 30 30 PHE HD2 H 1 7.513 0.000 . . . . . A 30 PHE QD . 19792 1 323 . 1 1 30 30 PHE HE1 H 1 6.868 0.000 . . . . . A 30 PHE QE . 19792 1 324 . 1 1 30 30 PHE HE2 H 1 6.868 0.000 . . . . . A 30 PHE QE . 19792 1 325 . 1 1 30 30 PHE HZ H 1 6.923 0.000 . . . . . A 30 PHE HZ . 19792 1 326 . 1 1 30 30 PHE C C 13 174.725 0.000 . . . . . A 30 PHE C . 19792 1 327 . 1 1 30 30 PHE CA C 13 59.628 0.000 . . . . . A 30 PHE CA . 19792 1 328 . 1 1 30 30 PHE CB C 13 35.394 0.000 . . . . . A 30 PHE CB . 19792 1 329 . 1 1 30 30 PHE CD1 C 13 128.560 0.000 . . . . . A 30 PHE CD1 . 19792 1 330 . 1 1 30 30 PHE CE1 C 13 127.683 0.000 . . . . . A 30 PHE CE1 . 19792 1 331 . 1 1 30 30 PHE CZ C 13 126.221 0.000 . . . . . A 30 PHE CZ . 19792 1 332 . 1 1 30 30 PHE N N 15 115.465 0.000 . . . . . A 30 PHE N . 19792 1 333 . 1 1 31 31 GLY H H 1 8.294 0.000 . . . . . A 31 GLY H . 19792 1 334 . 1 1 31 31 GLY HA2 H 1 4.311 0.000 . . . . . A 31 GLY HA2 . 19792 1 335 . 1 1 31 31 GLY HA3 H 1 3.970 0.000 . . . . . A 31 GLY HA3 . 19792 1 336 . 1 1 31 31 GLY C C 13 172.455 0.000 . . . . . A 31 GLY C . 19792 1 337 . 1 1 31 31 GLY CA C 13 43.505 0.000 . . . . . A 31 GLY CA . 19792 1 338 . 1 1 31 31 GLY N N 15 108.299 0.000 . . . . . A 31 GLY N . 19792 1 339 . 1 1 32 32 LYS H H 1 6.846 0.000 . . . . . A 32 LYS H . 19792 1 340 . 1 1 32 32 LYS HA H 1 3.926 0.000 . . . . . A 32 LYS HA . 19792 1 341 . 1 1 32 32 LYS HB2 H 1 1.433 0.000 . . . . . A 32 LYS HB2 . 19792 1 342 . 1 1 32 32 LYS HB3 H 1 1.281 0.000 . . . . . A 32 LYS HB3 . 19792 1 343 . 1 1 32 32 LYS HG2 H 1 0.950 0.000 . . . . . A 32 LYS HG2 . 19792 1 344 . 1 1 32 32 LYS HG3 H 1 0.780 0.000 . . . . . A 32 LYS HG3 . 19792 1 345 . 1 1 32 32 LYS HD2 H 1 1.352 0.000 . . . . . A 32 LYS QD . 19792 1 346 . 1 1 32 32 LYS HD3 H 1 1.352 0.000 . . . . . A 32 LYS QD . 19792 1 347 . 1 1 32 32 LYS HE2 H 1 2.725 0.000 . . . . . A 32 LYS QE . 19792 1 348 . 1 1 32 32 LYS HE3 H 1 2.725 0.000 . . . . . A 32 LYS QE . 19792 1 349 . 1 1 32 32 LYS C C 13 174.779 0.000 . . . . . A 32 LYS C . 19792 1 350 . 1 1 32 32 LYS CA C 13 54.700 0.000 . . . . . A 32 LYS CA . 19792 1 351 . 1 1 32 32 LYS CB C 13 28.935 0.000 . . . . . A 32 LYS CB . 19792 1 352 . 1 1 32 32 LYS CG C 13 20.600 0.000 . . . . . A 32 LYS CG . 19792 1 353 . 1 1 32 32 LYS CD C 13 26.013 0.000 . . . . . A 32 LYS CD . 19792 1 354 . 1 1 32 32 LYS CE C 13 39.039 0.000 . . . . . A 32 LYS CE . 19792 1 355 . 1 1 32 32 LYS N N 15 117.309 0.000 . . . . . A 32 LYS N . 19792 1 356 . 1 1 33 33 TYR H H 1 7.593 0.000 . . . . . A 33 TYR H . 19792 1 357 . 1 1 33 33 TYR HA H 1 4.117 0.000 . . . . . A 33 TYR HA . 19792 1 358 . 1 1 33 33 TYR HB2 H 1 3.096 0.000 . . . . . A 33 TYR HB2 . 19792 1 359 . 1 1 33 33 TYR HB3 H 1 2.862 0.000 . . . . . A 33 TYR HB3 . 19792 1 360 . 1 1 33 33 TYR HD1 H 1 7.382 0.000 . . . . . A 33 TYR QD . 19792 1 361 . 1 1 33 33 TYR HD2 H 1 7.382 0.000 . . . . . A 33 TYR QD . 19792 1 362 . 1 1 33 33 TYR HE1 H 1 6.555 0.000 . . . . . A 33 TYR QE . 19792 1 363 . 1 1 33 33 TYR HE2 H 1 6.555 0.000 . . . . . A 33 TYR QE . 19792 1 364 . 1 1 33 33 TYR C C 13 171.935 0.000 . . . . . A 33 TYR C . 19792 1 365 . 1 1 33 33 TYR CA C 13 56.609 0.000 . . . . . A 33 TYR CA . 19792 1 366 . 1 1 33 33 TYR CB C 13 35.735 0.000 . . . . . A 33 TYR CB . 19792 1 367 . 1 1 33 33 TYR CD1 C 13 130.520 0.000 . . . . . A 33 TYR CD1 . 19792 1 368 . 1 1 33 33 TYR CD2 C 13 130.520 0.000 . . . . . A 33 TYR CD2 . 19792 1 369 . 1 1 33 33 TYR CE1 C 13 115.285 0.000 . . . . . A 33 TYR CE1 . 19792 1 370 . 1 1 33 33 TYR CE2 C 13 115.285 0.000 . . . . . A 33 TYR CE2 . 19792 1 371 . 1 1 33 33 TYR N N 15 115.635 0.000 . . . . . A 33 TYR N . 19792 1 372 . 1 1 34 34 GLY H H 1 7.253 0.000 . . . . . A 34 GLY H . 19792 1 373 . 1 1 34 34 GLY HA2 H 1 4.851 0.000 . . . . . A 34 GLY HA2 . 19792 1 374 . 1 1 34 34 GLY HA3 H 1 3.726 0.000 . . . . . A 34 GLY HA3 . 19792 1 375 . 1 1 34 34 GLY C C 13 168.962 0.000 . . . . . A 34 GLY C . 19792 1 376 . 1 1 34 34 GLY CA C 13 41.563 0.000 . . . . . A 34 GLY CA . 19792 1 377 . 1 1 34 34 GLY N N 15 104.503 0.000 . . . . . A 34 GLY N . 19792 1 378 . 1 1 35 35 ARG H H 1 8.196 0.000 . . . . . A 35 ARG H . 19792 1 379 . 1 1 35 35 ARG HA H 1 4.115 0.000 . . . . . A 35 ARG HA . 19792 1 380 . 1 1 35 35 ARG C C 13 174.272 0.000 . . . . . A 35 ARG C . 19792 1 381 . 1 1 35 35 ARG CA C 13 54.785 0.000 . . . . . A 35 ARG CA . 19792 1 382 . 1 1 35 35 ARG CB C 13 27.958 0.000 . . . . . A 35 ARG CB . 19792 1 383 . 1 1 35 35 ARG N N 15 116.679 0.000 . . . . . A 35 ARG N . 19792 1 384 . 1 1 36 36 ILE H H 1 8.760 0.000 . . . . . A 36 ILE H . 19792 1 385 . 1 1 36 36 ILE HA H 1 3.827 0.000 . . . . . A 36 ILE HA . 19792 1 386 . 1 1 36 36 ILE HB H 1 1.517 0.000 . . . . . A 36 ILE HB . 19792 1 387 . 1 1 36 36 ILE HG12 H 1 1.441 0.000 . . . . . A 36 ILE HG12 . 19792 1 388 . 1 1 36 36 ILE HG13 H 1 -0.094 0.000 . . . . . A 36 ILE HG13 . 19792 1 389 . 1 1 36 36 ILE HG21 H 1 0.391 0.000 . . . . . A 36 ILE QG2 . 19792 1 390 . 1 1 36 36 ILE HG22 H 1 0.391 0.000 . . . . . A 36 ILE QG2 . 19792 1 391 . 1 1 36 36 ILE HG23 H 1 0.391 0.000 . . . . . A 36 ILE QG2 . 19792 1 392 . 1 1 36 36 ILE HD11 H 1 0.290 0.000 . . . . . A 36 ILE QD1 . 19792 1 393 . 1 1 36 36 ILE HD12 H 1 0.290 0.000 . . . . . A 36 ILE QD1 . 19792 1 394 . 1 1 36 36 ILE HD13 H 1 0.290 0.000 . . . . . A 36 ILE QD1 . 19792 1 395 . 1 1 36 36 ILE C C 13 173.725 0.000 . . . . . A 36 ILE C . 19792 1 396 . 1 1 36 36 ILE CA C 13 57.740 0.000 . . . . . A 36 ILE CA . 19792 1 397 . 1 1 36 36 ILE CB C 13 37.006 0.000 . . . . . A 36 ILE CB . 19792 1 398 . 1 1 36 36 ILE CG1 C 13 25.091 0.000 . . . . . A 36 ILE CG1 . 19792 1 399 . 1 1 36 36 ILE CG2 C 13 15.216 0.000 . . . . . A 36 ILE CG2 . 19792 1 400 . 1 1 36 36 ILE CD1 C 13 10.741 0.000 . . . . . A 36 ILE CD1 . 19792 1 401 . 1 1 36 36 ILE N N 15 128.885 0.000 . . . . . A 36 ILE N . 19792 1 402 . 1 1 37 37 VAL H H 1 8.751 0.000 . . . . . A 37 VAL H . 19792 1 403 . 1 1 37 37 VAL HA H 1 4.083 0.000 . . . . . A 37 VAL HA . 19792 1 404 . 1 1 37 37 VAL HB H 1 1.787 0.000 . . . . . A 37 VAL HB . 19792 1 405 . 1 1 37 37 VAL HG11 H 1 0.745 0.000 . . . . . A 37 VAL QG1 . 19792 1 406 . 1 1 37 37 VAL HG12 H 1 0.745 0.000 . . . . . A 37 VAL QG1 . 19792 1 407 . 1 1 37 37 VAL HG13 H 1 0.745 0.000 . . . . . A 37 VAL QG1 . 19792 1 408 . 1 1 37 37 VAL HG21 H 1 0.618 0.000 . . . . . A 37 VAL QG2 . 19792 1 409 . 1 1 37 37 VAL HG22 H 1 0.618 0.000 . . . . . A 37 VAL QG2 . 19792 1 410 . 1 1 37 37 VAL HG23 H 1 0.618 0.000 . . . . . A 37 VAL QG2 . 19792 1 411 . 1 1 37 37 VAL C C 13 172.917 0.000 . . . . . A 37 VAL C . 19792 1 412 . 1 1 37 37 VAL CA C 13 59.346 0.000 . . . . . A 37 VAL CA . 19792 1 413 . 1 1 37 37 VAL CB C 13 30.375 0.000 . . . . . A 37 VAL CB . 19792 1 414 . 1 1 37 37 VAL CG1 C 13 18.343 0.000 . . . . . A 37 VAL CG1 . 19792 1 415 . 1 1 37 37 VAL CG2 C 13 16.959 0.000 . . . . . A 37 VAL CG2 . 19792 1 416 . 1 1 37 37 VAL N N 15 122.612 0.000 . . . . . A 37 VAL N . 19792 1 417 . 1 1 38 38 GLU H H 1 7.075 0.000 . . . . . A 38 GLU H . 19792 1 418 . 1 1 38 38 GLU HA H 1 4.368 0.000 . . . . . A 38 GLU HA . 19792 1 419 . 1 1 38 38 GLU HB2 H 1 1.903 0.000 . . . . . A 38 GLU HB2 . 19792 1 420 . 1 1 38 38 GLU HB3 H 1 1.735 0.000 . . . . . A 38 GLU HB3 . 19792 1 421 . 1 1 38 38 GLU HG2 H 1 1.744 0.000 . . . . . A 38 GLU HG2 . 19792 1 422 . 1 1 38 38 GLU HG3 H 1 2.039 0.000 . . . . . A 38 GLU HG3 . 19792 1 423 . 1 1 38 38 GLU C C 13 170.647 0.000 . . . . . A 38 GLU C . 19792 1 424 . 1 1 38 38 GLU CA C 13 53.636 0.000 . . . . . A 38 GLU CA . 19792 1 425 . 1 1 38 38 GLU CB C 13 31.112 0.000 . . . . . A 38 GLU CB . 19792 1 426 . 1 1 38 38 GLU CG C 13 34.078 0.000 . . . . . A 38 GLU CG . 19792 1 427 . 1 1 38 38 GLU N N 15 118.683 0.000 . . . . . A 38 GLU N . 19792 1 428 . 1 1 39 39 VAL H H 1 8.509 0.000 . . . . . A 39 VAL H . 19792 1 429 . 1 1 39 39 VAL HA H 1 4.319 0.000 . . . . . A 39 VAL HA . 19792 1 430 . 1 1 39 39 VAL HB H 1 1.908 0.000 . . . . . A 39 VAL HB . 19792 1 431 . 1 1 39 39 VAL HG11 H 1 0.705 0.000 . . . . . A 39 VAL QG1 . 19792 1 432 . 1 1 39 39 VAL HG12 H 1 0.705 0.000 . . . . . A 39 VAL QG1 . 19792 1 433 . 1 1 39 39 VAL HG13 H 1 0.705 0.000 . . . . . A 39 VAL QG1 . 19792 1 434 . 1 1 39 39 VAL HG21 H 1 0.757 0.000 . . . . . A 39 VAL QG2 . 19792 1 435 . 1 1 39 39 VAL HG22 H 1 0.757 0.000 . . . . . A 39 VAL QG2 . 19792 1 436 . 1 1 39 39 VAL HG23 H 1 0.757 0.000 . . . . . A 39 VAL QG2 . 19792 1 437 . 1 1 39 39 VAL C C 13 170.693 0.000 . . . . . A 39 VAL C . 19792 1 438 . 1 1 39 39 VAL CA C 13 59.056 0.000 . . . . . A 39 VAL CA . 19792 1 439 . 1 1 39 39 VAL CB C 13 31.077 0.000 . . . . . A 39 VAL CB . 19792 1 440 . 1 1 39 39 VAL CG1 C 13 18.765 0.000 . . . . . A 39 VAL CG1 . 19792 1 441 . 1 1 39 39 VAL CG2 C 13 18.958 0.000 . . . . . A 39 VAL CG2 . 19792 1 442 . 1 1 39 39 VAL N N 15 125.880 0.000 . . . . . A 39 VAL N . 19792 1 443 . 1 1 40 40 LEU H H 1 8.928 0.000 . . . . . A 40 LEU H . 19792 1 444 . 1 1 40 40 LEU HA H 1 4.675 0.000 . . . . . A 40 LEU HA . 19792 1 445 . 1 1 40 40 LEU HB2 H 1 1.744 0.000 . . . . . A 40 LEU HB2 . 19792 1 446 . 1 1 40 40 LEU HB3 H 1 1.342 0.000 . . . . . A 40 LEU HB3 . 19792 1 447 . 1 1 40 40 LEU HD11 H 1 0.784 0.000 . . . . . A 40 LEU QD1 . 19792 1 448 . 1 1 40 40 LEU HD12 H 1 0.784 0.000 . . . . . A 40 LEU QD1 . 19792 1 449 . 1 1 40 40 LEU HD13 H 1 0.784 0.000 . . . . . A 40 LEU QD1 . 19792 1 450 . 1 1 40 40 LEU HD21 H 1 0.708 0.000 . . . . . A 40 LEU QD2 . 19792 1 451 . 1 1 40 40 LEU HD22 H 1 0.708 0.000 . . . . . A 40 LEU QD2 . 19792 1 452 . 1 1 40 40 LEU HD23 H 1 0.708 0.000 . . . . . A 40 LEU QD2 . 19792 1 453 . 1 1 40 40 LEU C C 13 171.627 0.000 . . . . . A 40 LEU C . 19792 1 454 . 1 1 40 40 LEU CA C 13 50.744 0.000 . . . . . A 40 LEU CA . 19792 1 455 . 1 1 40 40 LEU CB C 13 42.066 0.000 . . . . . A 40 LEU CB . 19792 1 456 . 1 1 40 40 LEU CD1 C 13 22.517 0.000 . . . . . A 40 LEU CD1 . 19792 1 457 . 1 1 40 40 LEU CD2 C 13 23.199 0.000 . . . . . A 40 LEU CD2 . 19792 1 458 . 1 1 40 40 LEU N N 15 129.331 0.000 . . . . . A 40 LEU N . 19792 1 459 . 1 1 41 41 LEU H H 1 9.023 0.000 . . . . . A 41 LEU H . 19792 1 460 . 1 1 41 41 LEU HA H 1 4.340 0.000 . . . . . A 41 LEU HA . 19792 1 461 . 1 1 41 41 LEU HB2 H 1 1.737 0.000 . . . . . A 41 LEU HB2 . 19792 1 462 . 1 1 41 41 LEU HB3 H 1 0.853 0.000 . . . . . A 41 LEU HB3 . 19792 1 463 . 1 1 41 41 LEU HG H 1 1.237 0.000 . . . . . A 41 LEU HG . 19792 1 464 . 1 1 41 41 LEU HD11 H 1 0.731 0.000 . . . . . A 41 LEU QD1 . 19792 1 465 . 1 1 41 41 LEU HD12 H 1 0.731 0.000 . . . . . A 41 LEU QD1 . 19792 1 466 . 1 1 41 41 LEU HD13 H 1 0.731 0.000 . . . . . A 41 LEU QD1 . 19792 1 467 . 1 1 41 41 LEU HD21 H 1 0.662 0.000 . . . . . A 41 LEU QD2 . 19792 1 468 . 1 1 41 41 LEU HD22 H 1 0.662 0.000 . . . . . A 41 LEU QD2 . 19792 1 469 . 1 1 41 41 LEU HD23 H 1 0.662 0.000 . . . . . A 41 LEU QD2 . 19792 1 470 . 1 1 41 41 LEU C C 13 172.935 0.000 . . . . . A 41 LEU C . 19792 1 471 . 1 1 41 41 LEU CA C 13 50.876 0.000 . . . . . A 41 LEU CA . 19792 1 472 . 1 1 41 41 LEU CB C 13 41.547 0.000 . . . . . A 41 LEU CB . 19792 1 473 . 1 1 41 41 LEU CG C 13 24.473 0.000 . . . . . A 41 LEU CG . 19792 1 474 . 1 1 41 41 LEU CD1 C 13 23.550 0.000 . . . . . A 41 LEU CD1 . 19792 1 475 . 1 1 41 41 LEU CD2 C 13 20.916 0.000 . . . . . A 41 LEU CD2 . 19792 1 476 . 1 1 41 41 LEU N N 15 128.574 0.000 . . . . . A 41 LEU N . 19792 1 477 . 1 1 42 42 MET H H 1 7.988 0.000 . . . . . A 42 MET H . 19792 1 478 . 1 1 42 42 MET HA H 1 4.357 0.000 . . . . . A 42 MET HA . 19792 1 479 . 1 1 42 42 MET HB2 H 1 1.347 0.000 . . . . . A 42 MET HB2 . 19792 1 480 . 1 1 42 42 MET HB3 H 1 1.123 0.000 . . . . . A 42 MET HB3 . 19792 1 481 . 1 1 42 42 MET HG2 H 1 2.082 0.000 . . . . . A 42 MET HG2 . 19792 1 482 . 1 1 42 42 MET HG3 H 1 2.252 0.000 . . . . . A 42 MET HG3 . 19792 1 483 . 1 1 42 42 MET HE1 H 1 2.008 0.000 . . . . . A 42 MET QE . 19792 1 484 . 1 1 42 42 MET HE2 H 1 2.008 0.000 . . . . . A 42 MET QE . 19792 1 485 . 1 1 42 42 MET HE3 H 1 2.008 0.000 . . . . . A 42 MET QE . 19792 1 486 . 1 1 42 42 MET C C 13 172.606 0.000 . . . . . A 42 MET C . 19792 1 487 . 1 1 42 42 MET CA C 13 51.857 0.000 . . . . . A 42 MET CA . 19792 1 488 . 1 1 42 42 MET CB C 13 27.700 0.000 . . . . . A 42 MET CB . 19792 1 489 . 1 1 42 42 MET CG C 13 29.557 0.000 . . . . . A 42 MET CG . 19792 1 490 . 1 1 42 42 MET CE C 13 14.190 0.000 . . . . . A 42 MET CE . 19792 1 491 . 1 1 42 42 MET N N 15 125.617 0.000 . . . . . A 42 MET N . 19792 1 492 . 1 1 43 43 LYS H H 1 8.289 0.000 . . . . . A 43 LYS H . 19792 1 493 . 1 1 43 43 LYS HA H 1 4.759 0.000 . . . . . A 43 LYS HA . 19792 1 494 . 1 1 43 43 LYS HB2 H 1 1.272 0.000 . . . . . A 43 LYS HB2 . 19792 1 495 . 1 1 43 43 LYS HB3 H 1 1.406 0.000 . . . . . A 43 LYS HB3 . 19792 1 496 . 1 1 43 43 LYS HG2 H 1 0.910 0.000 . . . . . A 43 LYS HG2 . 19792 1 497 . 1 1 43 43 LYS HG3 H 1 1.229 0.000 . . . . . A 43 LYS HG3 . 19792 1 498 . 1 1 43 43 LYS HD2 H 1 1.391 0.000 . . . . . A 43 LYS HD2 . 19792 1 499 . 1 1 43 43 LYS HD3 H 1 1.490 0.000 . . . . . A 43 LYS HD3 . 19792 1 500 . 1 1 43 43 LYS HE2 H 1 2.790 0.000 . . . . . A 43 LYS QE . 19792 1 501 . 1 1 43 43 LYS HE3 H 1 2.790 0.000 . . . . . A 43 LYS QE . 19792 1 502 . 1 1 43 43 LYS C C 13 173.591 0.000 . . . . . A 43 LYS C . 19792 1 503 . 1 1 43 43 LYS CA C 13 51.608 0.000 . . . . . A 43 LYS CA . 19792 1 504 . 1 1 43 43 LYS CB C 13 33.447 0.000 . . . . . A 43 LYS CB . 19792 1 505 . 1 1 43 43 LYS CG C 13 22.194 0.000 . . . . . A 43 LYS CG . 19792 1 506 . 1 1 43 43 LYS CD C 13 26.287 0.000 . . . . . A 43 LYS CD . 19792 1 507 . 1 1 43 43 LYS CE C 13 39.577 0.000 . . . . . A 43 LYS CE . 19792 1 508 . 1 1 43 43 LYS N N 15 121.956 0.000 . . . . . A 43 LYS N . 19792 1 509 . 1 1 44 44 ASP H H 1 8.693 0.000 . . . . . A 44 ASP H . 19792 1 510 . 1 1 44 44 ASP HA H 1 4.471 0.000 . . . . . A 44 ASP HA . 19792 1 511 . 1 1 44 44 ASP HB2 H 1 2.877 0.000 . . . . . A 44 ASP HB2 . 19792 1 512 . 1 1 44 44 ASP HB3 H 1 2.456 0.000 . . . . . A 44 ASP HB3 . 19792 1 513 . 1 1 44 44 ASP C C 13 174.790 0.000 . . . . . A 44 ASP C . 19792 1 514 . 1 1 44 44 ASP CA C 13 51.279 0.000 . . . . . A 44 ASP CA . 19792 1 515 . 1 1 44 44 ASP CB C 13 40.177 0.000 . . . . . A 44 ASP CB . 19792 1 516 . 1 1 44 44 ASP N N 15 123.608 0.000 . . . . . A 44 ASP N . 19792 1 517 . 1 1 45 45 ARG H H 1 8.875 0.000 . . . . . A 45 ARG H . 19792 1 518 . 1 1 45 45 ARG HA H 1 3.976 0.000 . . . . . A 45 ARG HA . 19792 1 519 . 1 1 45 45 ARG HB2 H 1 1.826 0.000 . . . . . A 45 ARG QB . 19792 1 520 . 1 1 45 45 ARG HB3 H 1 1.826 0.000 . . . . . A 45 ARG QB . 19792 1 521 . 1 1 45 45 ARG HG2 H 1 1.614 0.000 . . . . . A 45 ARG QG . 19792 1 522 . 1 1 45 45 ARG HG3 H 1 1.614 0.000 . . . . . A 45 ARG QG . 19792 1 523 . 1 1 45 45 ARG HD2 H 1 3.145 0.000 . . . . . A 45 ARG QD . 19792 1 524 . 1 1 45 45 ARG HD3 H 1 3.145 0.000 . . . . . A 45 ARG QD . 19792 1 525 . 1 1 45 45 ARG C C 13 174.578 0.000 . . . . . A 45 ARG C . 19792 1 526 . 1 1 45 45 ARG CA C 13 55.637 0.000 . . . . . A 45 ARG CA . 19792 1 527 . 1 1 45 45 ARG CB C 13 27.544 0.000 . . . . . A 45 ARG CB . 19792 1 528 . 1 1 45 45 ARG CG C 13 24.382 0.000 . . . . . A 45 ARG CG . 19792 1 529 . 1 1 45 45 ARG CD C 13 40.505 0.000 . . . . . A 45 ARG CD . 19792 1 530 . 1 1 45 45 ARG N N 15 126.884 0.000 . . . . . A 45 ARG N . 19792 1 531 . 1 1 46 46 GLU H H 1 8.561 0.000 . . . . . A 46 GLU H . 19792 1 532 . 1 1 46 46 GLU HA H 1 4.182 0.000 . . . . . A 46 GLU HA . 19792 1 533 . 1 1 46 46 GLU HB2 H 1 2.078 0.000 . . . . . A 46 GLU HB2 . 19792 1 534 . 1 1 46 46 GLU HB3 H 1 2.031 0.000 . . . . . A 46 GLU HB3 . 19792 1 535 . 1 1 46 46 GLU HG2 H 1 2.138 0.000 . . . . . A 46 GLU HG2 . 19792 1 536 . 1 1 46 46 GLU HG3 H 1 2.224 0.000 . . . . . A 46 GLU HG3 . 19792 1 537 . 1 1 46 46 GLU C C 13 175.625 0.000 . . . . . A 46 GLU C . 19792 1 538 . 1 1 46 46 GLU CA C 13 55.628 0.000 . . . . . A 46 GLU CA . 19792 1 539 . 1 1 46 46 GLU CB C 13 27.597 0.000 . . . . . A 46 GLU CB . 19792 1 540 . 1 1 46 46 GLU CG C 13 33.775 0.000 . . . . . A 46 GLU CG . 19792 1 541 . 1 1 46 46 GLU N N 15 117.313 0.000 . . . . . A 46 GLU N . 19792 1 542 . 1 1 47 47 THR H H 1 8.053 0.000 . . . . . A 47 THR H . 19792 1 543 . 1 1 47 47 THR HA H 1 4.277 0.000 . . . . . A 47 THR HA . 19792 1 544 . 1 1 47 47 THR HB H 1 4.263 0.000 . . . . . A 47 THR HB . 19792 1 545 . 1 1 47 47 THR HG21 H 1 1.113 0.000 . . . . . A 47 THR QG2 . 19792 1 546 . 1 1 47 47 THR HG22 H 1 1.113 0.000 . . . . . A 47 THR QG2 . 19792 1 547 . 1 1 47 47 THR HG23 H 1 1.113 0.000 . . . . . A 47 THR QG2 . 19792 1 548 . 1 1 47 47 THR C C 13 173.242 0.000 . . . . . A 47 THR C . 19792 1 549 . 1 1 47 47 THR CA C 13 58.709 0.000 . . . . . A 47 THR CA . 19792 1 550 . 1 1 47 47 THR CB C 13 67.971 0.000 . . . . . A 47 THR CB . 19792 1 551 . 1 1 47 47 THR CG2 C 13 18.407 0.000 . . . . . A 47 THR CG2 . 19792 1 552 . 1 1 47 47 THR N N 15 107.019 0.000 . . . . . A 47 THR N . 19792 1 553 . 1 1 48 48 ASN H H 1 8.230 0.000 . . . . . A 48 ASN H . 19792 1 554 . 1 1 48 48 ASN HA H 1 4.335 0.000 . . . . . A 48 ASN HA . 19792 1 555 . 1 1 48 48 ASN HB2 H 1 2.705 0.000 . . . . . A 48 ASN HB2 . 19792 1 556 . 1 1 48 48 ASN HB3 H 1 3.072 0.000 . . . . . A 48 ASN HB3 . 19792 1 557 . 1 1 48 48 ASN HD21 H 1 6.743 0.000 . . . . . A 48 ASN HD21 . 19792 1 558 . 1 1 48 48 ASN HD22 H 1 7.431 0.000 . . . . . A 48 ASN HD22 . 19792 1 559 . 1 1 48 48 ASN C C 13 171.106 0.000 . . . . . A 48 ASN C . 19792 1 560 . 1 1 48 48 ASN CA C 13 52.130 0.000 . . . . . A 48 ASN CA . 19792 1 561 . 1 1 48 48 ASN CB C 13 35.645 0.000 . . . . . A 48 ASN CB . 19792 1 562 . 1 1 48 48 ASN N N 15 117.468 0.000 . . . . . A 48 ASN N . 19792 1 563 . 1 1 48 48 ASN ND2 N 15 112.229 0.000 . . . . . A 48 ASN ND2 . 19792 1 564 . 1 1 49 49 LYS H H 1 7.517 0.000 . . . . . A 49 LYS H . 19792 1 565 . 1 1 49 49 LYS HA H 1 4.296 0.000 . . . . . A 49 LYS HA . 19792 1 566 . 1 1 49 49 LYS HB2 H 1 1.736 0.000 . . . . . A 49 LYS HB2 . 19792 1 567 . 1 1 49 49 LYS HB3 H 1 1.572 0.000 . . . . . A 49 LYS HB3 . 19792 1 568 . 1 1 49 49 LYS HG2 H 1 1.368 0.000 . . . . . A 49 LYS QG . 19792 1 569 . 1 1 49 49 LYS HG3 H 1 1.368 0.000 . . . . . A 49 LYS QG . 19792 1 570 . 1 1 49 49 LYS HD2 H 1 1.591 0.000 . . . . . A 49 LYS HD2 . 19792 1 571 . 1 1 49 49 LYS HE2 H 1 2.915 0.000 . . . . . A 49 LYS QE . 19792 1 572 . 1 1 49 49 LYS HE3 H 1 2.915 0.000 . . . . . A 49 LYS QE . 19792 1 573 . 1 1 49 49 LYS C C 13 173.910 0.000 . . . . . A 49 LYS C . 19792 1 574 . 1 1 49 49 LYS CA C 13 52.763 0.000 . . . . . A 49 LYS CA . 19792 1 575 . 1 1 49 49 LYS CB C 13 31.039 0.000 . . . . . A 49 LYS CB . 19792 1 576 . 1 1 49 49 LYS CG C 13 22.155 0.000 . . . . . A 49 LYS CG . 19792 1 577 . 1 1 49 49 LYS CD C 13 26.111 0.000 . . . . . A 49 LYS CD . 19792 1 578 . 1 1 49 49 LYS CE C 13 39.437 0.000 . . . . . A 49 LYS CE . 19792 1 579 . 1 1 49 49 LYS N N 15 117.523 0.000 . . . . . A 49 LYS N . 19792 1 580 . 1 1 50 50 SER H H 1 8.705 0.000 . . . . . A 50 SER H . 19792 1 581 . 1 1 50 50 SER HA H 1 4.197 0.000 . . . . . A 50 SER HA . 19792 1 582 . 1 1 50 50 SER HB2 H 1 3.935 0.000 . . . . . A 50 SER QB . 19792 1 583 . 1 1 50 50 SER HB3 H 1 3.935 0.000 . . . . . A 50 SER QB . 19792 1 584 . 1 1 50 50 SER C C 13 173.417 0.000 . . . . . A 50 SER C . 19792 1 585 . 1 1 50 50 SER CA C 13 55.614 0.000 . . . . . A 50 SER CA . 19792 1 586 . 1 1 50 50 SER CB C 13 61.524 0.000 . . . . . A 50 SER CB . 19792 1 587 . 1 1 50 50 SER N N 15 115.960 0.000 . . . . . A 50 SER N . 19792 1 588 . 1 1 51 51 ARG H H 1 9.023 0.000 . . . . . A 51 ARG H . 19792 1 589 . 1 1 51 51 ARG HA H 1 4.308 0.000 . . . . . A 51 ARG HA . 19792 1 590 . 1 1 51 51 ARG HB2 H 1 2.267 0.000 . . . . . A 51 ARG HB2 . 19792 1 591 . 1 1 51 51 ARG HB3 H 1 1.074 0.000 . . . . . A 51 ARG HB3 . 19792 1 592 . 1 1 51 51 ARG HG2 H 1 1.493 0.000 . . . . . A 51 ARG HG2 . 19792 1 593 . 1 1 51 51 ARG HG3 H 1 1.658 0.000 . . . . . A 51 ARG HG3 . 19792 1 594 . 1 1 51 51 ARG HD2 H 1 2.782 0.000 . . . . . A 51 ARG HD2 . 19792 1 595 . 1 1 51 51 ARG HD3 H 1 3.118 0.000 . . . . . A 51 ARG HD3 . 19792 1 596 . 1 1 51 51 ARG C C 13 174.657 0.000 . . . . . A 51 ARG C . 19792 1 597 . 1 1 51 51 ARG CA C 13 53.393 0.000 . . . . . A 51 ARG CA . 19792 1 598 . 1 1 51 51 ARG CB C 13 28.779 0.000 . . . . . A 51 ARG CB . 19792 1 599 . 1 1 51 51 ARG CG C 13 24.771 0.000 . . . . . A 51 ARG CG . 19792 1 600 . 1 1 51 51 ARG CD C 13 41.235 0.000 . . . . . A 51 ARG CD . 19792 1 601 . 1 1 51 51 ARG N N 15 124.058 0.000 . . . . . A 51 ARG N . 19792 1 602 . 1 1 52 52 GLY H H 1 9.129 0.000 . . . . . A 52 GLY H . 19792 1 603 . 1 1 52 52 GLY HA2 H 1 3.999 0.000 . . . . . A 52 GLY HA2 . 19792 1 604 . 1 1 52 52 GLY HA3 H 1 3.112 0.000 . . . . . A 52 GLY HA3 . 19792 1 605 . 1 1 52 52 GLY C C 13 168.863 0.000 . . . . . A 52 GLY C . 19792 1 606 . 1 1 52 52 GLY CA C 13 42.919 0.000 . . . . . A 52 GLY CA . 19792 1 607 . 1 1 52 52 GLY N N 15 106.703 0.000 . . . . . A 52 GLY N . 19792 1 608 . 1 1 53 53 PHE H H 1 6.845 0.000 . . . . . A 53 PHE H . 19792 1 609 . 1 1 53 53 PHE HA H 1 5.243 0.000 . . . . . A 53 PHE HA . 19792 1 610 . 1 1 53 53 PHE HB2 H 1 3.091 0.000 . . . . . A 53 PHE HB2 . 19792 1 611 . 1 1 53 53 PHE HB3 H 1 2.709 0.000 . . . . . A 53 PHE HB3 . 19792 1 612 . 1 1 53 53 PHE HD1 H 1 6.866 0.000 . . . . . A 53 PHE QD . 19792 1 613 . 1 1 53 53 PHE HD2 H 1 6.866 0.000 . . . . . A 53 PHE QD . 19792 1 614 . 1 1 53 53 PHE HE1 H 1 7.319 0.000 . . . . . A 53 PHE QE . 19792 1 615 . 1 1 53 53 PHE HE2 H 1 7.319 0.000 . . . . . A 53 PHE QE . 19792 1 616 . 1 1 53 53 PHE HZ H 1 7.270 0.000 . . . . . A 53 PHE HZ . 19792 1 617 . 1 1 53 53 PHE C C 13 169.552 0.000 . . . . . A 53 PHE C . 19792 1 618 . 1 1 53 53 PHE CA C 13 52.095 0.000 . . . . . A 53 PHE CA . 19792 1 619 . 1 1 53 53 PHE CB C 13 38.914 0.000 . . . . . A 53 PHE CB . 19792 1 620 . 1 1 53 53 PHE CD2 C 13 130.137 0.000 . . . . . A 53 PHE CD2 . 19792 1 621 . 1 1 53 53 PHE CE2 C 13 128.554 0.000 . . . . . A 53 PHE CE2 . 19792 1 622 . 1 1 53 53 PHE CZ C 13 126.826 0.000 . . . . . A 53 PHE CZ . 19792 1 623 . 1 1 53 53 PHE N N 15 112.307 0.000 . . . . . A 53 PHE N . 19792 1 624 . 1 1 54 54 ALA H H 1 8.970 0.000 . . . . . A 54 ALA H . 19792 1 625 . 1 1 54 54 ALA HA H 1 4.894 0.000 . . . . . A 54 ALA HA . 19792 1 626 . 1 1 54 54 ALA HB1 H 1 0.875 0.000 . . . . . A 54 ALA QB . 19792 1 627 . 1 1 54 54 ALA HB2 H 1 0.875 0.000 . . . . . A 54 ALA QB . 19792 1 628 . 1 1 54 54 ALA HB3 H 1 0.875 0.000 . . . . . A 54 ALA QB . 19792 1 629 . 1 1 54 54 ALA C C 13 171.062 0.000 . . . . . A 54 ALA C . 19792 1 630 . 1 1 54 54 ALA CA C 13 47.049 0.000 . . . . . A 54 ALA CA . 19792 1 631 . 1 1 54 54 ALA CB C 13 22.826 0.000 . . . . . A 54 ALA CB . 19792 1 632 . 1 1 54 54 ALA N N 15 120.987 0.000 . . . . . A 54 ALA N . 19792 1 633 . 1 1 55 55 PHE H H 1 8.837 0.000 . . . . . A 55 PHE H . 19792 1 634 . 1 1 55 55 PHE HA H 1 5.768 0.000 . . . . . A 55 PHE HA . 19792 1 635 . 1 1 55 55 PHE HB2 H 1 2.785 0.000 . . . . . A 55 PHE HB2 . 19792 1 636 . 1 1 55 55 PHE HB3 H 1 2.644 0.000 . . . . . A 55 PHE HB3 . 19792 1 637 . 1 1 55 55 PHE HD1 H 1 7.132 0.000 . . . . . A 55 PHE QD . 19792 1 638 . 1 1 55 55 PHE HD2 H 1 7.132 0.000 . . . . . A 55 PHE QD . 19792 1 639 . 1 1 55 55 PHE HE1 H 1 7.090 0.000 . . . . . A 55 PHE QE . 19792 1 640 . 1 1 55 55 PHE HE2 H 1 7.090 0.000 . . . . . A 55 PHE QE . 19792 1 641 . 1 1 55 55 PHE C C 13 173.605 0.000 . . . . . A 55 PHE C . 19792 1 642 . 1 1 55 55 PHE CA C 13 53.080 0.000 . . . . . A 55 PHE CA . 19792 1 643 . 1 1 55 55 PHE CB C 13 40.029 0.000 . . . . . A 55 PHE CB . 19792 1 644 . 1 1 55 55 PHE CD2 C 13 129.377 0.000 . . . . . A 55 PHE CD2 . 19792 1 645 . 1 1 55 55 PHE CE2 C 13 128.633 0.000 . . . . . A 55 PHE CE2 . 19792 1 646 . 1 1 55 55 PHE CZ C 13 128.647 0.000 . . . . . A 55 PHE CZ . 19792 1 647 . 1 1 55 55 PHE N N 15 114.157 0.000 . . . . . A 55 PHE N . 19792 1 648 . 1 1 56 56 VAL H H 1 8.558 0.000 . . . . . A 56 VAL H . 19792 1 649 . 1 1 56 56 VAL HA H 1 4.474 0.000 . . . . . A 56 VAL HA . 19792 1 650 . 1 1 56 56 VAL HB H 1 1.277 0.000 . . . . . A 56 VAL HB . 19792 1 651 . 1 1 56 56 VAL HG11 H 1 0.334 0.000 . . . . . A 56 VAL QG1 . 19792 1 652 . 1 1 56 56 VAL HG12 H 1 0.334 0.000 . . . . . A 56 VAL QG1 . 19792 1 653 . 1 1 56 56 VAL HG13 H 1 0.334 0.000 . . . . . A 56 VAL QG1 . 19792 1 654 . 1 1 56 56 VAL HG21 H 1 0.233 0.000 . . . . . A 56 VAL QG2 . 19792 1 655 . 1 1 56 56 VAL HG22 H 1 0.233 0.000 . . . . . A 56 VAL QG2 . 19792 1 656 . 1 1 56 56 VAL HG23 H 1 0.233 0.000 . . . . . A 56 VAL QG2 . 19792 1 657 . 1 1 56 56 VAL C C 13 171.401 0.000 . . . . . A 56 VAL C . 19792 1 658 . 1 1 56 56 VAL CA C 13 57.848 0.000 . . . . . A 56 VAL CA . 19792 1 659 . 1 1 56 56 VAL CB C 13 32.527 0.000 . . . . . A 56 VAL CB . 19792 1 660 . 1 1 56 56 VAL CG1 C 13 18.997 0.000 . . . . . A 56 VAL CG1 . 19792 1 661 . 1 1 56 56 VAL CG2 C 13 18.694 0.000 . . . . . A 56 VAL CG2 . 19792 1 662 . 1 1 56 56 VAL N N 15 123.812 0.000 . . . . . A 56 VAL N . 19792 1 663 . 1 1 57 57 THR H H 1 8.808 0.000 . . . . . A 57 THR H . 19792 1 664 . 1 1 57 57 THR HA H 1 4.974 0.000 . . . . . A 57 THR HA . 19792 1 665 . 1 1 57 57 THR HB H 1 3.687 0.000 . . . . . A 57 THR HB . 19792 1 666 . 1 1 57 57 THR HG21 H 1 0.875 0.000 . . . . . A 57 THR QG2 . 19792 1 667 . 1 1 57 57 THR HG22 H 1 0.875 0.000 . . . . . A 57 THR QG2 . 19792 1 668 . 1 1 57 57 THR HG23 H 1 0.875 0.000 . . . . . A 57 THR QG2 . 19792 1 669 . 1 1 57 57 THR C C 13 171.340 0.000 . . . . . A 57 THR C . 19792 1 670 . 1 1 57 57 THR CA C 13 58.659 0.000 . . . . . A 57 THR CA . 19792 1 671 . 1 1 57 57 THR CB C 13 66.662 0.000 . . . . . A 57 THR CB . 19792 1 672 . 1 1 57 57 THR CG2 C 13 18.846 0.000 . . . . . A 57 THR CG2 . 19792 1 673 . 1 1 57 57 THR N N 15 123.000 0.000 . . . . . A 57 THR N . 19792 1 674 . 1 1 58 58 PHE H H 1 8.835 0.000 . . . . . A 58 PHE H . 19792 1 675 . 1 1 58 58 PHE HA H 1 4.683 0.000 . . . . . A 58 PHE HA . 19792 1 676 . 1 1 58 58 PHE HB2 H 1 3.606 0.000 . . . . . A 58 PHE HB2 . 19792 1 677 . 1 1 58 58 PHE HB3 H 1 2.660 0.000 . . . . . A 58 PHE HB3 . 19792 1 678 . 1 1 58 58 PHE HD1 H 1 7.158 0.000 . . . . . A 58 PHE QD . 19792 1 679 . 1 1 58 58 PHE HD2 H 1 7.158 0.000 . . . . . A 58 PHE QD . 19792 1 680 . 1 1 58 58 PHE HE1 H 1 7.555 0.000 . . . . . A 58 PHE QE . 19792 1 681 . 1 1 58 58 PHE HE2 H 1 7.555 0.000 . . . . . A 58 PHE QE . 19792 1 682 . 1 1 58 58 PHE C C 13 172.367 0.000 . . . . . A 58 PHE C . 19792 1 683 . 1 1 58 58 PHE CA C 13 55.449 0.000 . . . . . A 58 PHE CA . 19792 1 684 . 1 1 58 58 PHE CB C 13 37.909 0.000 . . . . . A 58 PHE CB . 19792 1 685 . 1 1 58 58 PHE CD1 C 13 128.717 0.000 . . . . . A 58 PHE CD1 . 19792 1 686 . 1 1 58 58 PHE CE1 C 13 126.743 0.000 . . . . . A 58 PHE CE1 . 19792 1 687 . 1 1 58 58 PHE N N 15 128.385 0.000 . . . . . A 58 PHE N . 19792 1 688 . 1 1 59 59 GLU H H 1 8.067 0.000 . . . . . A 59 GLU H . 19792 1 689 . 1 1 59 59 GLU HA H 1 3.766 0.000 . . . . . A 59 GLU HA . 19792 1 690 . 1 1 59 59 GLU HB2 H 1 2.071 0.000 . . . . . A 59 GLU HB2 . 19792 1 691 . 1 1 59 59 GLU HB3 H 1 1.761 0.000 . . . . . A 59 GLU HB3 . 19792 1 692 . 1 1 59 59 GLU C C 13 173.666 0.000 . . . . . A 59 GLU C . 19792 1 693 . 1 1 59 59 GLU CA C 13 56.293 0.000 . . . . . A 59 GLU CA . 19792 1 694 . 1 1 59 59 GLU CB C 13 27.787 0.000 . . . . . A 59 GLU CB . 19792 1 695 . 1 1 59 59 GLU N N 15 121.627 0.000 . . . . . A 59 GLU N . 19792 1 696 . 1 1 60 60 SER H H 1 9.333 0.000 . . . . . A 60 SER H . 19792 1 697 . 1 1 60 60 SER HA H 1 5.163 0.000 . . . . . A 60 SER HA . 19792 1 698 . 1 1 60 60 SER HB2 H 1 3.903 0.000 . . . . . A 60 SER QB . 19792 1 699 . 1 1 60 60 SER HB3 H 1 3.903 0.000 . . . . . A 60 SER QB . 19792 1 700 . 1 1 60 60 SER CA C 13 50.137 0.000 . . . . . A 60 SER CA . 19792 1 701 . 1 1 60 60 SER CB C 13 61.350 0.000 . . . . . A 60 SER CB . 19792 1 702 . 1 1 60 60 SER N N 15 112.302 0.000 . . . . . A 60 SER N . 19792 1 703 . 1 1 61 61 PRO HA H 1 3.998 0.000 . . . . . A 61 PRO HA . 19792 1 704 . 1 1 61 61 PRO HB2 H 1 2.143 0.000 . . . . . A 61 PRO HB2 . 19792 1 705 . 1 1 61 61 PRO HB3 H 1 1.786 0.000 . . . . . A 61 PRO HB3 . 19792 1 706 . 1 1 61 61 PRO HG2 H 1 1.744 0.000 . . . . . A 61 PRO HG2 . 19792 1 707 . 1 1 61 61 PRO HG3 H 1 2.120 0.000 . . . . . A 61 PRO HG3 . 19792 1 708 . 1 1 61 61 PRO HD2 H 1 4.020 0.000 . . . . . A 61 PRO HD2 . 19792 1 709 . 1 1 61 61 PRO HD3 H 1 3.931 0.000 . . . . . A 61 PRO HD3 . 19792 1 710 . 1 1 61 61 PRO CA C 13 61.850 0.000 . . . . . A 61 PRO CA . 19792 1 711 . 1 1 61 61 PRO CB C 13 29.391 0.000 . . . . . A 61 PRO CB . 19792 1 712 . 1 1 61 61 PRO CG C 13 25.146 0.000 . . . . . A 61 PRO CG . 19792 1 713 . 1 1 61 61 PRO CD C 13 48.543 0.000 . . . . . A 61 PRO CD . 19792 1 714 . 1 1 62 62 ALA H H 1 7.821 0.000 . . . . . A 62 ALA H . 19792 1 715 . 1 1 62 62 ALA HA H 1 3.932 0.000 . . . . . A 62 ALA HA . 19792 1 716 . 1 1 62 62 ALA HB1 H 1 1.300 0.000 . . . . . A 62 ALA QB . 19792 1 717 . 1 1 62 62 ALA HB2 H 1 1.300 0.000 . . . . . A 62 ALA QB . 19792 1 718 . 1 1 62 62 ALA HB3 H 1 1.300 0.000 . . . . . A 62 ALA QB . 19792 1 719 . 1 1 62 62 ALA C C 13 176.826 0.000 . . . . . A 62 ALA C . 19792 1 720 . 1 1 62 62 ALA CA C 13 52.266 0.000 . . . . . A 62 ALA CA . 19792 1 721 . 1 1 62 62 ALA CB C 13 15.618 0.000 . . . . . A 62 ALA CB . 19792 1 722 . 1 1 62 62 ALA N N 15 121.088 0.000 . . . . . A 62 ALA N . 19792 1 723 . 1 1 63 63 ASP H H 1 6.960 0.000 . . . . . A 63 ASP H . 19792 1 724 . 1 1 63 63 ASP HA H 1 4.092 0.000 . . . . . A 63 ASP HA . 19792 1 725 . 1 1 63 63 ASP HB2 H 1 2.388 0.000 . . . . . A 63 ASP HB2 . 19792 1 726 . 1 1 63 63 ASP HB3 H 1 2.654 0.000 . . . . . A 63 ASP HB3 . 19792 1 727 . 1 1 63 63 ASP C C 13 174.505 0.000 . . . . . A 63 ASP C . 19792 1 728 . 1 1 63 63 ASP CA C 13 53.809 0.000 . . . . . A 63 ASP CA . 19792 1 729 . 1 1 63 63 ASP CB C 13 37.374 0.000 . . . . . A 63 ASP CB . 19792 1 730 . 1 1 63 63 ASP N N 15 120.099 0.000 . . . . . A 63 ASP N . 19792 1 731 . 1 1 64 64 ALA H H 1 6.771 0.000 . . . . . A 64 ALA H . 19792 1 732 . 1 1 64 64 ALA HA H 1 3.141 0.000 . . . . . A 64 ALA HA . 19792 1 733 . 1 1 64 64 ALA HB1 H 1 1.370 0.000 . . . . . A 64 ALA QB . 19792 1 734 . 1 1 64 64 ALA HB2 H 1 1.370 0.000 . . . . . A 64 ALA QB . 19792 1 735 . 1 1 64 64 ALA HB3 H 1 1.370 0.000 . . . . . A 64 ALA QB . 19792 1 736 . 1 1 64 64 ALA C C 13 176.037 0.000 . . . . . A 64 ALA C . 19792 1 737 . 1 1 64 64 ALA CA C 13 51.399 0.000 . . . . . A 64 ALA CA . 19792 1 738 . 1 1 64 64 ALA CB C 13 15.565 0.000 . . . . . A 64 ALA CB . 19792 1 739 . 1 1 64 64 ALA N N 15 119.533 0.000 . . . . . A 64 ALA N . 19792 1 740 . 1 1 65 65 LYS H H 1 7.478 0.000 . . . . . A 65 LYS H . 19792 1 741 . 1 1 65 65 LYS HA H 1 3.727 0.000 . . . . . A 65 LYS HA . 19792 1 742 . 1 1 65 65 LYS HB2 H 1 1.796 0.000 . . . . . A 65 LYS QB . 19792 1 743 . 1 1 65 65 LYS HB3 H 1 1.796 0.000 . . . . . A 65 LYS QB . 19792 1 744 . 1 1 65 65 LYS HG2 H 1 1.476 0.000 . . . . . A 65 LYS HG2 . 19792 1 745 . 1 1 65 65 LYS HG3 H 1 1.282 0.000 . . . . . A 65 LYS HG3 . 19792 1 746 . 1 1 65 65 LYS HD2 H 1 1.582 0.000 . . . . . A 65 LYS QD . 19792 1 747 . 1 1 65 65 LYS HD3 H 1 1.582 0.000 . . . . . A 65 LYS QD . 19792 1 748 . 1 1 65 65 LYS HE2 H 1 2.863 0.000 . . . . . A 65 LYS QE . 19792 1 749 . 1 1 65 65 LYS HE3 H 1 2.863 0.000 . . . . . A 65 LYS QE . 19792 1 750 . 1 1 65 65 LYS C C 13 176.716 0.000 . . . . . A 65 LYS C . 19792 1 751 . 1 1 65 65 LYS CA C 13 56.684 0.000 . . . . . A 65 LYS CA . 19792 1 752 . 1 1 65 65 LYS CB C 13 29.183 0.000 . . . . . A 65 LYS CB . 19792 1 753 . 1 1 65 65 LYS CG C 13 22.423 0.000 . . . . . A 65 LYS CG . 19792 1 754 . 1 1 65 65 LYS CD C 13 26.604 0.000 . . . . . A 65 LYS CD . 19792 1 755 . 1 1 65 65 LYS CE C 13 39.341 0.000 . . . . . A 65 LYS CE . 19792 1 756 . 1 1 65 65 LYS N N 15 117.395 0.000 . . . . . A 65 LYS N . 19792 1 757 . 1 1 66 66 ASP H H 1 7.403 0.000 . . . . . A 66 ASP H . 19792 1 758 . 1 1 66 66 ASP HA H 1 4.183 0.000 . . . . . A 66 ASP HA . 19792 1 759 . 1 1 66 66 ASP HB2 H 1 2.611 0.000 . . . . . A 66 ASP HB2 . 19792 1 760 . 1 1 66 66 ASP HB3 H 1 2.833 0.000 . . . . . A 66 ASP HB3 . 19792 1 761 . 1 1 66 66 ASP C C 13 175.111 0.000 . . . . . A 66 ASP C . 19792 1 762 . 1 1 66 66 ASP CA C 13 54.430 0.000 . . . . . A 66 ASP CA . 19792 1 763 . 1 1 66 66 ASP CB C 13 37.720 0.000 . . . . . A 66 ASP CB . 19792 1 764 . 1 1 66 66 ASP N N 15 120.839 0.000 . . . . . A 66 ASP N . 19792 1 765 . 1 1 67 67 ALA H H 1 7.737 0.000 . . . . . A 67 ALA H . 19792 1 766 . 1 1 67 67 ALA HA H 1 2.160 0.000 . . . . . A 67 ALA HA . 19792 1 767 . 1 1 67 67 ALA HB1 H 1 0.942 0.000 . . . . . A 67 ALA QB . 19792 1 768 . 1 1 67 67 ALA HB2 H 1 0.942 0.000 . . . . . A 67 ALA QB . 19792 1 769 . 1 1 67 67 ALA HB3 H 1 0.942 0.000 . . . . . A 67 ALA QB . 19792 1 770 . 1 1 67 67 ALA C C 13 176.448 0.000 . . . . . A 67 ALA C . 19792 1 771 . 1 1 67 67 ALA CA C 13 51.299 0.000 . . . . . A 67 ALA CA . 19792 1 772 . 1 1 67 67 ALA CB C 13 17.253 0.000 . . . . . A 67 ALA CB . 19792 1 773 . 1 1 67 67 ALA N N 15 122.056 0.000 . . . . . A 67 ALA N . 19792 1 774 . 1 1 68 68 ALA H H 1 8.108 0.000 . . . . . A 68 ALA H . 19792 1 775 . 1 1 68 68 ALA HA H 1 3.699 0.000 . . . . . A 68 ALA HA . 19792 1 776 . 1 1 68 68 ALA HB1 H 1 1.258 0.000 . . . . . A 68 ALA QB . 19792 1 777 . 1 1 68 68 ALA HB2 H 1 1.258 0.000 . . . . . A 68 ALA QB . 19792 1 778 . 1 1 68 68 ALA HB3 H 1 1.258 0.000 . . . . . A 68 ALA QB . 19792 1 779 . 1 1 68 68 ALA C C 13 176.619 0.000 . . . . . A 68 ALA C . 19792 1 780 . 1 1 68 68 ALA CA C 13 52.280 0.000 . . . . . A 68 ALA CA . 19792 1 781 . 1 1 68 68 ALA CB C 13 14.849 0.000 . . . . . A 68 ALA CB . 19792 1 782 . 1 1 68 68 ALA N N 15 118.624 0.000 . . . . . A 68 ALA N . 19792 1 783 . 1 1 69 69 ARG H H 1 7.599 0.000 . . . . . A 69 ARG H . 19792 1 784 . 1 1 69 69 ARG HA H 1 3.932 0.000 . . . . . A 69 ARG HA . 19792 1 785 . 1 1 69 69 ARG HB2 H 1 1.848 0.000 . . . . . A 69 ARG HB2 . 19792 1 786 . 1 1 69 69 ARG HG2 H 1 1.675 0.000 . . . . . A 69 ARG HG2 . 19792 1 787 . 1 1 69 69 ARG HG3 H 1 1.535 0.000 . . . . . A 69 ARG HG3 . 19792 1 788 . 1 1 69 69 ARG HD2 H 1 3.134 0.000 . . . . . A 69 ARG HD2 . 19792 1 789 . 1 1 69 69 ARG HD3 H 1 3.199 0.000 . . . . . A 69 ARG HD3 . 19792 1 790 . 1 1 69 69 ARG C C 13 175.857 0.000 . . . . . A 69 ARG C . 19792 1 791 . 1 1 69 69 ARG CA C 13 55.734 0.000 . . . . . A 69 ARG CA . 19792 1 792 . 1 1 69 69 ARG CB C 13 27.249 0.000 . . . . . A 69 ARG CB . 19792 1 793 . 1 1 69 69 ARG CG C 13 24.298 0.000 . . . . . A 69 ARG CG . 19792 1 794 . 1 1 69 69 ARG CD C 13 40.546 0.000 . . . . . A 69 ARG CD . 19792 1 795 . 1 1 69 69 ARG N N 15 116.265 0.000 . . . . . A 69 ARG N . 19792 1 796 . 1 1 70 70 ASP H H 1 7.657 0.000 . . . . . A 70 ASP H . 19792 1 797 . 1 1 70 70 ASP HA H 1 4.555 0.000 . . . . . A 70 ASP HA . 19792 1 798 . 1 1 70 70 ASP HB2 H 1 2.620 0.000 . . . . . A 70 ASP HB2 . 19792 1 799 . 1 1 70 70 ASP HB3 H 1 2.410 0.000 . . . . . A 70 ASP HB3 . 19792 1 800 . 1 1 70 70 ASP C C 13 174.867 0.000 . . . . . A 70 ASP C . 19792 1 801 . 1 1 70 70 ASP CA C 13 53.314 0.000 . . . . . A 70 ASP CA . 19792 1 802 . 1 1 70 70 ASP CB C 13 39.839 0.000 . . . . . A 70 ASP CB . 19792 1 803 . 1 1 70 70 ASP N N 15 116.202 0.000 . . . . . A 70 ASP N . 19792 1 804 . 1 1 71 71 MET H H 1 8.069 0.000 . . . . . A 71 MET H . 19792 1 805 . 1 1 71 71 MET HA H 1 4.742 0.000 . . . . . A 71 MET HA . 19792 1 806 . 1 1 71 71 MET HB2 H 1 2.285 0.000 . . . . . A 71 MET HB2 . 19792 1 807 . 1 1 71 71 MET HB3 H 1 1.947 0.000 . . . . . A 71 MET HB3 . 19792 1 808 . 1 1 71 71 MET HG2 H 1 1.917 0.000 . . . . . A 71 MET HG2 . 19792 1 809 . 1 1 71 71 MET HE1 H 1 1.533 0.000 . . . . . A 71 MET QE . 19792 1 810 . 1 1 71 71 MET HE2 H 1 1.533 0.000 . . . . . A 71 MET QE . 19792 1 811 . 1 1 71 71 MET HE3 H 1 1.533 0.000 . . . . . A 71 MET QE . 19792 1 812 . 1 1 71 71 MET C C 13 175.174 0.000 . . . . . A 71 MET C . 19792 1 813 . 1 1 71 71 MET CA C 13 50.378 0.000 . . . . . A 71 MET CA . 19792 1 814 . 1 1 71 71 MET CB C 13 29.047 0.000 . . . . . A 71 MET CB . 19792 1 815 . 1 1 71 71 MET CG C 13 30.116 0.000 . . . . . A 71 MET CG . 19792 1 816 . 1 1 71 71 MET CE C 13 11.990 0.000 . . . . . A 71 MET CE . 19792 1 817 . 1 1 71 71 MET N N 15 111.561 0.000 . . . . . A 71 MET N . 19792 1 818 . 1 1 72 72 ASN H H 1 7.442 0.000 . . . . . A 72 ASN H . 19792 1 819 . 1 1 72 72 ASN HA H 1 4.281 0.000 . . . . . A 72 ASN HA . 19792 1 820 . 1 1 72 72 ASN HB2 H 1 3.329 0.000 . . . . . A 72 ASN HB2 . 19792 1 821 . 1 1 72 72 ASN HB3 H 1 2.846 0.000 . . . . . A 72 ASN HB3 . 19792 1 822 . 1 1 72 72 ASN HD21 H 1 6.995 0.000 . . . . . A 72 ASN HD21 . 19792 1 823 . 1 1 72 72 ASN HD22 H 1 7.672 0.000 . . . . . A 72 ASN HD22 . 19792 1 824 . 1 1 72 72 ASN C C 13 173.812 0.000 . . . . . A 72 ASN C . 19792 1 825 . 1 1 72 72 ASN CA C 13 53.826 0.000 . . . . . A 72 ASN CA . 19792 1 826 . 1 1 72 72 ASN CB C 13 35.885 0.000 . . . . . A 72 ASN CB . 19792 1 827 . 1 1 72 72 ASN N N 15 116.196 0.000 . . . . . A 72 ASN N . 19792 1 828 . 1 1 72 72 ASN ND2 N 15 114.625 0.000 . . . . . A 72 ASN ND2 . 19792 1 829 . 1 1 73 73 GLY H H 1 8.884 0.000 . . . . . A 73 GLY H . 19792 1 830 . 1 1 73 73 GLY HA2 H 1 4.145 0.000 . . . . . A 73 GLY HA2 . 19792 1 831 . 1 1 73 73 GLY HA3 H 1 3.630 0.000 . . . . . A 73 GLY HA3 . 19792 1 832 . 1 1 73 73 GLY C C 13 171.629 0.000 . . . . . A 73 GLY C . 19792 1 833 . 1 1 73 73 GLY CA C 13 43.091 0.000 . . . . . A 73 GLY CA . 19792 1 834 . 1 1 73 73 GLY N N 15 116.956 0.000 . . . . . A 73 GLY N . 19792 1 835 . 1 1 74 74 LYS H H 1 7.797 0.000 . . . . . A 74 LYS H . 19792 1 836 . 1 1 74 74 LYS HA H 1 4.240 0.000 . . . . . A 74 LYS HA . 19792 1 837 . 1 1 74 74 LYS HB2 H 1 1.922 0.000 . . . . . A 74 LYS HB2 . 19792 1 838 . 1 1 74 74 LYS HB3 H 1 1.710 0.000 . . . . . A 74 LYS HB3 . 19792 1 839 . 1 1 74 74 LYS HG2 H 1 1.192 0.000 . . . . . A 74 LYS HG2 . 19792 1 840 . 1 1 74 74 LYS HG3 H 1 1.650 0.000 . . . . . A 74 LYS HG3 . 19792 1 841 . 1 1 74 74 LYS HD2 H 1 1.581 0.000 . . . . . A 74 LYS HD2 . 19792 1 842 . 1 1 74 74 LYS HE2 H 1 2.994 0.000 . . . . . A 74 LYS QE . 19792 1 843 . 1 1 74 74 LYS HE3 H 1 2.994 0.000 . . . . . A 74 LYS QE . 19792 1 844 . 1 1 74 74 LYS C C 13 172.132 0.000 . . . . . A 74 LYS C . 19792 1 845 . 1 1 74 74 LYS CA C 13 52.333 0.000 . . . . . A 74 LYS CA . 19792 1 846 . 1 1 74 74 LYS CB C 13 30.131 0.000 . . . . . A 74 LYS CB . 19792 1 847 . 1 1 74 74 LYS CG C 13 23.145 0.000 . . . . . A 74 LYS CG . 19792 1 848 . 1 1 74 74 LYS CE C 13 39.954 0.000 . . . . . A 74 LYS CE . 19792 1 849 . 1 1 74 74 LYS N N 15 120.829 0.000 . . . . . A 74 LYS N . 19792 1 850 . 1 1 75 75 SER H H 1 8.037 0.000 . . . . . A 75 SER H . 19792 1 851 . 1 1 75 75 SER HA H 1 4.940 0.000 . . . . . A 75 SER HA . 19792 1 852 . 1 1 75 75 SER HB2 H 1 3.507 0.000 . . . . . A 75 SER HB2 . 19792 1 853 . 1 1 75 75 SER HB3 H 1 3.458 0.000 . . . . . A 75 SER HB3 . 19792 1 854 . 1 1 75 75 SER C C 13 171.838 0.000 . . . . . A 75 SER C . 19792 1 855 . 1 1 75 75 SER CA C 13 54.722 0.000 . . . . . A 75 SER CA . 19792 1 856 . 1 1 75 75 SER CB C 13 61.242 0.000 . . . . . A 75 SER CB . 19792 1 857 . 1 1 75 75 SER N N 15 112.883 0.000 . . . . . A 75 SER N . 19792 1 858 . 1 1 76 76 LEU H H 1 8.988 0.000 . . . . . A 76 LEU H . 19792 1 859 . 1 1 76 76 LEU HA H 1 4.436 0.000 . . . . . A 76 LEU HA . 19792 1 860 . 1 1 76 76 LEU HB2 H 1 1.712 0.000 . . . . . A 76 LEU HB2 . 19792 1 861 . 1 1 76 76 LEU HB3 H 1 1.118 0.000 . . . . . A 76 LEU HB3 . 19792 1 862 . 1 1 76 76 LEU C C 13 173.849 0.000 . . . . . A 76 LEU C . 19792 1 863 . 1 1 76 76 LEU CA C 13 51.775 0.000 . . . . . A 76 LEU CA . 19792 1 864 . 1 1 76 76 LEU CB C 13 41.886 0.000 . . . . . A 76 LEU CB . 19792 1 865 . 1 1 76 76 LEU CD1 C 13 15.794 0.000 . . . . . A 76 LEU CD1 . 19792 1 866 . 1 1 76 76 LEU N N 15 127.669 0.000 . . . . . A 76 LEU N . 19792 1 867 . 1 1 77 77 ASP H H 1 9.523 0.000 . . . . . A 77 ASP H . 19792 1 868 . 1 1 77 77 ASP HA H 1 4.174 0.000 . . . . . A 77 ASP HA . 19792 1 869 . 1 1 77 77 ASP HB2 H 1 2.382 0.000 . . . . . A 77 ASP HB2 . 19792 1 870 . 1 1 77 77 ASP HB3 H 1 2.746 0.000 . . . . . A 77 ASP HB3 . 19792 1 871 . 1 1 77 77 ASP C C 13 173.415 0.000 . . . . . A 77 ASP C . 19792 1 872 . 1 1 77 77 ASP CA C 13 52.876 0.000 . . . . . A 77 ASP CA . 19792 1 873 . 1 1 77 77 ASP CB C 13 36.413 0.000 . . . . . A 77 ASP CB . 19792 1 874 . 1 1 77 77 ASP N N 15 129.054 0.000 . . . . . A 77 ASP N . 19792 1 875 . 1 1 78 78 GLY H H 1 8.396 0.000 . . . . . A 78 GLY H . 19792 1 876 . 1 1 78 78 GLY HA2 H 1 4.018 0.000 . . . . . A 78 GLY HA2 . 19792 1 877 . 1 1 78 78 GLY HA3 H 1 3.462 0.000 . . . . . A 78 GLY HA3 . 19792 1 878 . 1 1 78 78 GLY C C 13 170.989 0.000 . . . . . A 78 GLY C . 19792 1 879 . 1 1 78 78 GLY CA C 13 42.769 0.000 . . . . . A 78 GLY CA . 19792 1 880 . 1 1 78 78 GLY N N 15 101.915 0.000 . . . . . A 78 GLY N . 19792 1 881 . 1 1 79 79 LYS H H 1 7.269 0.000 . . . . . A 79 LYS H . 19792 1 882 . 1 1 79 79 LYS HA H 1 4.546 0.000 . . . . . A 79 LYS HA . 19792 1 883 . 1 1 79 79 LYS HB2 H 1 1.638 0.000 . . . . . A 79 LYS HB2 . 19792 1 884 . 1 1 79 79 LYS HB3 H 1 1.884 0.000 . . . . . A 79 LYS HB3 . 19792 1 885 . 1 1 79 79 LYS HG2 H 1 1.265 0.000 . . . . . A 79 LYS QG . 19792 1 886 . 1 1 79 79 LYS HG3 H 1 1.265 0.000 . . . . . A 79 LYS QG . 19792 1 887 . 1 1 79 79 LYS HD2 H 1 1.616 0.000 . . . . . A 79 LYS QD . 19792 1 888 . 1 1 79 79 LYS HD3 H 1 1.616 0.000 . . . . . A 79 LYS QD . 19792 1 889 . 1 1 79 79 LYS HE2 H 1 2.840 0.000 . . . . . A 79 LYS QE . 19792 1 890 . 1 1 79 79 LYS HE3 H 1 2.840 0.000 . . . . . A 79 LYS QE . 19792 1 891 . 1 1 79 79 LYS C C 13 171.513 0.000 . . . . . A 79 LYS C . 19792 1 892 . 1 1 79 79 LYS CA C 13 50.277 0.000 . . . . . A 79 LYS CA . 19792 1 893 . 1 1 79 79 LYS CB C 13 31.955 0.000 . . . . . A 79 LYS CB . 19792 1 894 . 1 1 79 79 LYS CG C 13 21.519 0.000 . . . . . A 79 LYS CG . 19792 1 895 . 1 1 79 79 LYS CD C 13 25.042 0.000 . . . . . A 79 LYS CD . 19792 1 896 . 1 1 79 79 LYS CE C 13 39.431 0.000 . . . . . A 79 LYS CE . 19792 1 897 . 1 1 79 79 LYS N N 15 119.791 0.000 . . . . . A 79 LYS N . 19792 1 898 . 1 1 80 80 ALA H H 1 8.235 0.000 . . . . . A 80 ALA H . 19792 1 899 . 1 1 80 80 ALA HA H 1 4.365 0.000 . . . . . A 80 ALA HA . 19792 1 900 . 1 1 80 80 ALA HB1 H 1 1.096 0.000 . . . . . A 80 ALA QB . 19792 1 901 . 1 1 80 80 ALA HB2 H 1 1.096 0.000 . . . . . A 80 ALA QB . 19792 1 902 . 1 1 80 80 ALA HB3 H 1 1.096 0.000 . . . . . A 80 ALA QB . 19792 1 903 . 1 1 80 80 ALA C C 13 175.007 0.000 . . . . . A 80 ALA C . 19792 1 904 . 1 1 80 80 ALA CA C 13 48.381 0.000 . . . . . A 80 ALA CA . 19792 1 905 . 1 1 80 80 ALA CB C 13 15.215 0.000 . . . . . A 80 ALA CB . 19792 1 906 . 1 1 80 80 ALA N N 15 125.002 0.000 . . . . . A 80 ALA N . 19792 1 907 . 1 1 81 81 ILE H H 1 8.204 0.000 . . . . . A 81 ILE H . 19792 1 908 . 1 1 81 81 ILE HA H 1 4.614 0.000 . . . . . A 81 ILE HA . 19792 1 909 . 1 1 81 81 ILE HB H 1 1.798 0.000 . . . . . A 81 ILE HB . 19792 1 910 . 1 1 81 81 ILE HG12 H 1 1.381 0.000 . . . . . A 81 ILE QG1 . 19792 1 911 . 1 1 81 81 ILE HG13 H 1 1.381 0.000 . . . . . A 81 ILE QG1 . 19792 1 912 . 1 1 81 81 ILE HG21 H 1 0.787 0.000 . . . . . A 81 ILE QG2 . 19792 1 913 . 1 1 81 81 ILE HG22 H 1 0.787 0.000 . . . . . A 81 ILE QG2 . 19792 1 914 . 1 1 81 81 ILE HG23 H 1 0.787 0.000 . . . . . A 81 ILE QG2 . 19792 1 915 . 1 1 81 81 ILE HD11 H 1 0.654 0.000 . . . . . A 81 ILE QD1 . 19792 1 916 . 1 1 81 81 ILE HD12 H 1 0.654 0.000 . . . . . A 81 ILE QD1 . 19792 1 917 . 1 1 81 81 ILE HD13 H 1 0.654 0.000 . . . . . A 81 ILE QD1 . 19792 1 918 . 1 1 81 81 ILE C C 13 172.389 0.000 . . . . . A 81 ILE C . 19792 1 919 . 1 1 81 81 ILE CA C 13 57.921 0.000 . . . . . A 81 ILE CA . 19792 1 920 . 1 1 81 81 ILE CB C 13 37.547 0.000 . . . . . A 81 ILE CB . 19792 1 921 . 1 1 81 81 ILE CG1 C 13 21.655 0.000 . . . . . A 81 ILE CG1 . 19792 1 922 . 1 1 81 81 ILE CG2 C 13 15.835 0.000 . . . . . A 81 ILE CG2 . 19792 1 923 . 1 1 81 81 ILE CD1 C 13 11.883 0.000 . . . . . A 81 ILE CD1 . 19792 1 924 . 1 1 81 81 ILE N N 15 119.947 0.000 . . . . . A 81 ILE N . 19792 1 925 . 1 1 82 82 LYS H H 1 8.460 0.000 . . . . . A 82 LYS H . 19792 1 926 . 1 1 82 82 LYS HA H 1 4.846 0.000 . . . . . A 82 LYS HA . 19792 1 927 . 1 1 82 82 LYS HB2 H 1 1.564 0.000 . . . . . A 82 LYS QB . 19792 1 928 . 1 1 82 82 LYS HB3 H 1 1.564 0.000 . . . . . A 82 LYS QB . 19792 1 929 . 1 1 82 82 LYS C C 13 172.571 0.000 . . . . . A 82 LYS C . 19792 1 930 . 1 1 82 82 LYS CA C 13 51.341 0.000 . . . . . A 82 LYS CA . 19792 1 931 . 1 1 82 82 LYS CB C 13 31.948 0.000 . . . . . A 82 LYS CB . 19792 1 932 . 1 1 82 82 LYS N N 15 123.700 0.000 . . . . . A 82 LYS N . 19792 1 933 . 1 1 83 83 VAL H H 1 8.653 0.000 . . . . . A 83 VAL H . 19792 1 934 . 1 1 83 83 VAL HA H 1 5.068 0.000 . . . . . A 83 VAL HA . 19792 1 935 . 1 1 83 83 VAL HB H 1 1.842 0.000 . . . . . A 83 VAL HB . 19792 1 936 . 1 1 83 83 VAL HG11 H 1 0.946 0.000 . . . . . A 83 VAL QG1 . 19792 1 937 . 1 1 83 83 VAL HG12 H 1 0.946 0.000 . . . . . A 83 VAL QG1 . 19792 1 938 . 1 1 83 83 VAL HG13 H 1 0.946 0.000 . . . . . A 83 VAL QG1 . 19792 1 939 . 1 1 83 83 VAL HG21 H 1 0.854 0.000 . . . . . A 83 VAL QG2 . 19792 1 940 . 1 1 83 83 VAL HG22 H 1 0.854 0.000 . . . . . A 83 VAL QG2 . 19792 1 941 . 1 1 83 83 VAL HG23 H 1 0.854 0.000 . . . . . A 83 VAL QG2 . 19792 1 942 . 1 1 83 83 VAL C C 13 171.831 0.000 . . . . . A 83 VAL C . 19792 1 943 . 1 1 83 83 VAL CA C 13 57.954 0.000 . . . . . A 83 VAL CA . 19792 1 944 . 1 1 83 83 VAL CB C 13 31.979 0.000 . . . . . A 83 VAL CB . 19792 1 945 . 1 1 83 83 VAL CG1 C 13 19.113 0.000 . . . . . A 83 VAL CG1 . 19792 1 946 . 1 1 83 83 VAL CG2 C 13 21.121 0.000 . . . . . A 83 VAL CG2 . 19792 1 947 . 1 1 83 83 VAL N N 15 123.707 0.000 . . . . . A 83 VAL N . 19792 1 948 . 1 1 84 84 GLU H H 1 8.977 0.000 . . . . . A 84 GLU H . 19792 1 949 . 1 1 84 84 GLU HA H 1 4.684 0.000 . . . . . A 84 GLU HA . 19792 1 950 . 1 1 84 84 GLU HB2 H 1 1.908 0.000 . . . . . A 84 GLU HB2 . 19792 1 951 . 1 1 84 84 GLU HB3 H 1 2.090 0.000 . . . . . A 84 GLU HB3 . 19792 1 952 . 1 1 84 84 GLU HG2 H 1 2.109 0.000 . . . . . A 84 GLU HG2 . 19792 1 953 . 1 1 84 84 GLU HG3 H 1 2.190 0.000 . . . . . A 84 GLU HG3 . 19792 1 954 . 1 1 84 84 GLU C C 13 172.141 0.000 . . . . . A 84 GLU C . 19792 1 955 . 1 1 84 84 GLU CA C 13 51.305 0.000 . . . . . A 84 GLU CA . 19792 1 956 . 1 1 84 84 GLU CB C 13 31.690 0.000 . . . . . A 84 GLU CB . 19792 1 957 . 1 1 84 84 GLU CG C 13 32.552 0.000 . . . . . A 84 GLU CG . 19792 1 958 . 1 1 84 84 GLU N N 15 123.150 0.000 . . . . . A 84 GLU N . 19792 1 959 . 1 1 85 85 GLN H H 1 8.835 0.000 . . . . . A 85 GLN H . 19792 1 960 . 1 1 85 85 GLN HA H 1 4.249 0.000 . . . . . A 85 GLN HA . 19792 1 961 . 1 1 85 85 GLN HB2 H 1 2.055 0.000 . . . . . A 85 GLN HB2 . 19792 1 962 . 1 1 85 85 GLN HB3 H 1 1.914 0.000 . . . . . A 85 GLN HB3 . 19792 1 963 . 1 1 85 85 GLN HG2 H 1 2.265 0.000 . . . . . A 85 GLN QG . 19792 1 964 . 1 1 85 85 GLN HG3 H 1 2.265 0.000 . . . . . A 85 GLN QG . 19792 1 965 . 1 1 85 85 GLN HE21 H 1 7.627 0.000 . . . . . A 85 GLN HE21 . 19792 1 966 . 1 1 85 85 GLN HE22 H 1 6.698 0.000 . . . . . A 85 GLN HE22 . 19792 1 967 . 1 1 85 85 GLN C C 13 173.263 0.000 . . . . . A 85 GLN C . 19792 1 968 . 1 1 85 85 GLN CA C 13 54.257 0.000 . . . . . A 85 GLN CA . 19792 1 969 . 1 1 85 85 GLN CB C 13 26.519 0.000 . . . . . A 85 GLN CB . 19792 1 970 . 1 1 85 85 GLN CG C 13 31.420 0.000 . . . . . A 85 GLN CG . 19792 1 971 . 1 1 85 85 GLN N N 15 121.740 0.000 . . . . . A 85 GLN N . 19792 1 972 . 1 1 85 85 GLN NE2 N 15 111.783 0.000 . . . . . A 85 GLN NE2 . 19792 1 973 . 1 1 86 86 ALA H H 1 8.608 0.000 . . . . . A 86 ALA H . 19792 1 974 . 1 1 86 86 ALA HA H 1 4.434 0.000 . . . . . A 86 ALA HA . 19792 1 975 . 1 1 86 86 ALA HB1 H 1 1.378 0.000 . . . . . A 86 ALA QB . 19792 1 976 . 1 1 86 86 ALA HB2 H 1 1.378 0.000 . . . . . A 86 ALA QB . 19792 1 977 . 1 1 86 86 ALA HB3 H 1 1.378 0.000 . . . . . A 86 ALA QB . 19792 1 978 . 1 1 86 86 ALA C C 13 174.487 0.000 . . . . . A 86 ALA C . 19792 1 979 . 1 1 86 86 ALA CA C 13 50.016 0.000 . . . . . A 86 ALA CA . 19792 1 980 . 1 1 86 86 ALA CB C 13 16.340 0.000 . . . . . A 86 ALA CB . 19792 1 981 . 1 1 86 86 ALA N N 15 127.885 0.000 . . . . . A 86 ALA N . 19792 1 982 . 1 1 87 87 THR H H 1 8.271 0.000 . . . . . A 87 THR H . 19792 1 983 . 1 1 87 87 THR HA H 1 4.339 0.000 . . . . . A 87 THR HA . 19792 1 984 . 1 1 87 87 THR HB H 1 4.070 0.000 . . . . . A 87 THR HB . 19792 1 985 . 1 1 87 87 THR HG21 H 1 1.049 0.000 . . . . . A 87 THR QG2 . 19792 1 986 . 1 1 87 87 THR HG22 H 1 1.049 0.000 . . . . . A 87 THR QG2 . 19792 1 987 . 1 1 87 87 THR HG23 H 1 1.049 0.000 . . . . . A 87 THR QG2 . 19792 1 988 . 1 1 87 87 THR C C 13 171.331 0.000 . . . . . A 87 THR C . 19792 1 989 . 1 1 87 87 THR CA C 13 58.219 0.000 . . . . . A 87 THR CA . 19792 1 990 . 1 1 87 87 THR CB C 13 67.397 0.000 . . . . . A 87 THR CB . 19792 1 991 . 1 1 87 87 THR CG2 C 13 18.937 0.000 . . . . . A 87 THR CG2 . 19792 1 992 . 1 1 87 87 THR N N 15 113.372 0.000 . . . . . A 87 THR N . 19792 1 993 . 1 1 88 88 LYS H H 1 8.203 0.000 . . . . . A 88 LYS H . 19792 1 994 . 1 1 88 88 LYS HA H 1 4.473 0.000 . . . . . A 88 LYS HA . 19792 1 995 . 1 1 88 88 LYS HB2 H 1 1.569 0.000 . . . . . A 88 LYS HB2 . 19792 1 996 . 1 1 88 88 LYS HB3 H 1 1.666 0.000 . . . . . A 88 LYS HB3 . 19792 1 997 . 1 1 88 88 LYS HG2 H 1 1.309 0.000 . . . . . A 88 LYS QG . 19792 1 998 . 1 1 88 88 LYS HG3 H 1 1.309 0.000 . . . . . A 88 LYS QG . 19792 1 999 . 1 1 88 88 LYS HE2 H 1 2.447 0.000 . . . . . A 88 LYS QE . 19792 1 1000 . 1 1 88 88 LYS HE3 H 1 2.447 0.000 . . . . . A 88 LYS QE . 19792 1 1001 . 1 1 88 88 LYS CA C 13 51.611 0.000 . . . . . A 88 LYS CA . 19792 1 1002 . 1 1 88 88 LYS CB C 13 29.867 0.000 . . . . . A 88 LYS CB . 19792 1 1003 . 1 1 88 88 LYS CG C 13 21.477 0.000 . . . . . A 88 LYS CG . 19792 1 1004 . 1 1 88 88 LYS N N 15 123.502 0.000 . . . . . A 88 LYS N . 19792 1 1005 . 1 1 89 89 PRO HA H 1 4.194 0.000 . . . . . A 89 PRO HA . 19792 1 1006 . 1 1 89 89 PRO HB2 H 1 1.560 0.000 . . . . . A 89 PRO HB2 . 19792 1 1007 . 1 1 89 89 PRO HG2 H 1 1.783 0.000 . . . . . A 89 PRO HG2 . 19792 1 1008 . 1 1 89 89 PRO HG3 H 1 1.811 0.000 . . . . . A 89 PRO HG3 . 19792 1 1009 . 1 1 89 89 PRO HD2 H 1 3.634 0.000 . . . . . A 89 PRO HD2 . 19792 1 1010 . 1 1 89 89 PRO HD3 H 1 3.489 0.000 . . . . . A 89 PRO HD3 . 19792 1 1011 . 1 1 89 89 PRO C C 13 173.726 0.000 . . . . . A 89 PRO C . 19792 1 1012 . 1 1 89 89 PRO CA C 13 60.070 0.000 . . . . . A 89 PRO CA . 19792 1 1013 . 1 1 89 89 PRO CB C 13 29.315 0.000 . . . . . A 89 PRO CB . 19792 1 1014 . 1 1 89 89 PRO CG C 13 24.472 0.000 . . . . . A 89 PRO CG . 19792 1 1015 . 1 1 89 89 PRO CD C 13 47.488 0.000 . . . . . A 89 PRO CD . 19792 1 1016 . 1 1 90 90 SER H H 1 7.991 0.000 . . . . . A 90 SER H . 19792 1 1017 . 1 1 90 90 SER HA H 1 4.229 0.000 . . . . . A 90 SER HA . 19792 1 1018 . 1 1 90 90 SER HB2 H 1 3.640 0.000 . . . . . A 90 SER HB2 . 19792 1 1019 . 1 1 90 90 SER HB3 H 1 3.578 0.000 . . . . . A 90 SER HB3 . 19792 1 1020 . 1 1 90 90 SER C C 13 171.123 0.000 . . . . . A 90 SER C . 19792 1 1021 . 1 1 90 90 SER CA C 13 55.017 0.000 . . . . . A 90 SER CA . 19792 1 1022 . 1 1 90 90 SER CB C 13 60.977 0.000 . . . . . A 90 SER CB . 19792 1 1023 . 1 1 90 90 SER N N 15 115.260 0.000 . . . . . A 90 SER N . 19792 1 1024 . 1 1 91 91 PHE H H 1 8.004 0.000 . . . . . A 91 PHE H . 19792 1 1025 . 1 1 91 91 PHE HA H 1 4.527 0.000 . . . . . A 91 PHE HA . 19792 1 1026 . 1 1 91 91 PHE HB2 H 1 3.042 0.000 . . . . . A 91 PHE HB2 . 19792 1 1027 . 1 1 91 91 PHE HB3 H 1 2.854 0.000 . . . . . A 91 PHE HB3 . 19792 1 1028 . 1 1 91 91 PHE HD1 H 1 7.096 0.000 . . . . . A 91 PHE QD . 19792 1 1029 . 1 1 91 91 PHE HD2 H 1 7.096 0.000 . . . . . A 91 PHE QD . 19792 1 1030 . 1 1 91 91 PHE C C 13 171.798 0.000 . . . . . A 91 PHE C . 19792 1 1031 . 1 1 91 91 PHE CA C 13 54.467 0.000 . . . . . A 91 PHE CA . 19792 1 1032 . 1 1 91 91 PHE CB C 13 37.008 0.000 . . . . . A 91 PHE CB . 19792 1 1033 . 1 1 91 91 PHE CD2 C 13 129.046 0.000 . . . . . A 91 PHE CD2 . 19792 1 1034 . 1 1 91 91 PHE N N 15 121.128 0.000 . . . . . A 91 PHE N . 19792 1 1035 . 1 1 92 92 GLU H H 1 7.712 0.000 . . . . . A 92 GLU H . 19792 1 1036 . 1 1 92 92 GLU HA H 1 3.996 0.000 . . . . . A 92 GLU HA . 19792 1 1037 . 1 1 92 92 GLU HB2 H 1 1.924 0.000 . . . . . A 92 GLU HB2 . 19792 1 1038 . 1 1 92 92 GLU CA C 13 54.927 0.000 . . . . . A 92 GLU CA . 19792 1 1039 . 1 1 92 92 GLU N N 15 126.176 0.000 . . . . . A 92 GLU N . 19792 1 stop_ save_