data_26643 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26643 _Entry.Title ; Backbone 1H, 13C, and 15N chemical shift assignments for the N-WASP-GBD Nck complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-30 _Entry.Accession_date 2015-08-30 _Entry.Last_release_date 2015-09-23 _Entry.Original_release_date 2015-09-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone assignment for a fusion protein of N-WASP (aa 196-272) and Nck1 (aa 62-83).' _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 Qiong Wu . . . 26643 2 Julia Okrut . . . 26643 3 Jack Taunton . . . 26643 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26643 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 264 26643 '15N chemical shifts' 88 26643 '1H chemical shifts' 136 26643 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 . . 2015-09-23 . original BMRB . 26643 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26643 _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 ; Allosteric N-WASP activation by an inter-SH3 domain linker in Nck ; _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 Julia Okrut . . . 26643 1 2 Sumit Prakash . . . 26643 1 3 Qiong Wu . . . 26643 1 4 Mark Kelly . JS . 26643 1 5 Jack Taunton . . . 26643 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID N-WASP 26643 1 Nck 26643 1 'SH3 adapter' 26643 1 'actin cytoskeleton' 26643 1 'signal transduction' 26643 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26643 _Assembly.ID 1 _Assembly.Name GBD-Nck _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 GBD-Nck 1 $GBD-Nck A . yes native no no . . . 26643 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GBD-Nck _Entity.Sf_category entity _Entity.Sf_framecode GBD-Nck _Entity.Entry_ID 26643 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GBD-Nck _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMTKADIGTPSNFQHIGHV GWDPNTGFDLNNLDPELKNL FDMCGISEAQLKDRETSKVI YDFIEKTGGVEAVKNELRRQ GGSGGSARKASIVKNLKDTL GIGKVKRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residue 1-3 are cloning artifacts. Residues 4-80 correspond to N-WASP aa 196-272. Residues 81-86 constitute a GGSGGS linker. Residues 87-108 correspond to Nck1 aa 62-83. ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 18165 . entity_1 . . . . . 59.26 65 100.00 100.00 5.69e-39 . . . . 26643 1 2 no PDB 2LNH . "Enterohaemorrhagic E. Coli (Ehec) Exploits A Tryptophan Switch To Hijack Host F-Actin Assembly" . . . . . 59.26 65 100.00 100.00 5.69e-39 . . . . 26643 1 3 no DBJ BAA11082 . "N-WASP [Bos taurus]" . . . . . 73.15 505 97.47 98.73 8.58e-47 . . . . 26643 1 4 no DBJ BAA21534 . "N-WASP [Rattus rattus]" . . . . . 73.15 501 97.47 98.73 1.36e-46 . . . . 26643 1 5 no DBJ BAE25143 . "unnamed protein product [Mus musculus]" . . . . . 73.15 443 97.47 98.73 1.50e-46 . . . . 26643 1 6 no DBJ BAE25639 . "unnamed protein product [Mus musculus]" . . . . . 73.15 501 97.47 98.73 1.50e-46 . . . . 26643 1 7 no DBJ BAE28201 . "unnamed protein product [Mus musculus]" . . . . . 73.15 414 97.47 98.73 1.26e-46 . . . . 26643 1 8 no EMBL CAC69994 . "N-WASP protein [Mus musculus]" . . . . . 73.15 501 97.47 98.73 1.50e-46 . . . . 26643 1 9 no EMBL CAH89371 . "hypothetical protein [Pongo abelii]" . . . . . 73.15 506 97.47 98.73 1.03e-46 . . . . 26643 1 10 no EMBL CAH91010 . "hypothetical protein [Pongo abelii]" . . . . . 73.15 494 97.47 98.73 7.40e-47 . . . . 26643 1 11 no EMBL CAL26602 . "WASL protein [Homo sapiens]" . . . . . 73.15 505 97.47 98.73 8.15e-47 . . . . 26643 1 12 no GB AAH52955 . "Wiskott-Aldrich syndrome-like [Homo sapiens]" . . . . . 73.15 505 97.47 98.73 8.15e-47 . . . . 26643 1 13 no GB AAH55045 . "Wiskott-Aldrich syndrome-like (human) [Mus musculus]" . . . . . 73.15 501 97.47 98.73 1.51e-46 . . . . 26643 1 14 no GB AAI51608 . "Wiskott-Aldrich syndrome-like [Bos taurus]" . . . . . 73.15 505 97.47 98.73 9.13e-47 . . . . 26643 1 15 no GB AAQ96857 . "unknown [Homo sapiens]" . . . . . 73.15 505 97.47 98.73 8.15e-47 . . . . 26643 1 16 no GB AAV38348 . "Wiskott-Aldrich syndrome-like [synthetic construct]" . . . . . 73.15 506 97.47 98.73 8.01e-47 . . . . 26643 1 17 no REF NP_001103835 . "neural Wiskott-Aldrich syndrome protein [Rattus norvegicus]" . . . . . 73.15 501 97.47 98.73 1.51e-46 . . . . 26643 1 18 no REF NP_001128797 . "neural Wiskott-Aldrich syndrome protein [Pongo abelii]" . . . . . 73.15 505 97.47 98.73 8.15e-47 . . . . 26643 1 19 no REF NP_001253726 . "neural Wiskott-Aldrich syndrome protein [Macaca mulatta]" . . . . . 73.15 505 97.47 98.73 8.50e-47 . . . . 26643 1 20 no REF NP_003932 . "neural Wiskott-Aldrich syndrome protein [Homo sapiens]" . . . . . 73.15 505 97.47 98.73 8.15e-47 . . . . 26643 1 21 no REF NP_082735 . "neural Wiskott-Aldrich syndrome protein isoform 1 [Mus musculus]" . . . . . 73.15 501 97.47 98.73 1.50e-46 . . . . 26643 1 22 no SP O00401 . "RecName: Full=Neural Wiskott-Aldrich syndrome protein; Short=N-WASP" . . . . . 73.15 505 97.47 98.73 8.15e-47 . . . . 26643 1 23 no SP O08816 . "RecName: Full=Neural Wiskott-Aldrich syndrome protein; Short=N-WASP" . . . . . 73.15 501 97.47 98.73 1.36e-46 . . . . 26643 1 24 no SP Q91YD9 . "RecName: Full=Neural Wiskott-Aldrich syndrome protein; Short=N-WASP" . . . . . 73.15 501 97.47 98.73 1.50e-46 . . . . 26643 1 25 no SP Q95107 . "RecName: Full=Neural Wiskott-Aldrich syndrome protein; Short=N-WASP" . . . . . 73.15 505 97.47 98.73 8.58e-47 . . . . 26643 1 26 no TPG DAA30422 . "TPA: neural Wiskott-Aldrich syndrome protein [Bos taurus]" . . . . . 73.15 505 97.47 98.73 8.58e-47 . . . . 26643 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 26643 1 2 2 HIS . 26643 1 3 3 MET . 26643 1 4 4 THR . 26643 1 5 5 LYS . 26643 1 6 6 ALA . 26643 1 7 7 ASP . 26643 1 8 8 ILE . 26643 1 9 9 GLY . 26643 1 10 10 THR . 26643 1 11 11 PRO . 26643 1 12 12 SER . 26643 1 13 13 ASN . 26643 1 14 14 PHE . 26643 1 15 15 GLN . 26643 1 16 16 HIS . 26643 1 17 17 ILE . 26643 1 18 18 GLY . 26643 1 19 19 HIS . 26643 1 20 20 VAL . 26643 1 21 21 GLY . 26643 1 22 22 TRP . 26643 1 23 23 ASP . 26643 1 24 24 PRO . 26643 1 25 25 ASN . 26643 1 26 26 THR . 26643 1 27 27 GLY . 26643 1 28 28 PHE . 26643 1 29 29 ASP . 26643 1 30 30 LEU . 26643 1 31 31 ASN . 26643 1 32 32 ASN . 26643 1 33 33 LEU . 26643 1 34 34 ASP . 26643 1 35 35 PRO . 26643 1 36 36 GLU . 26643 1 37 37 LEU . 26643 1 38 38 LYS . 26643 1 39 39 ASN . 26643 1 40 40 LEU . 26643 1 41 41 PHE . 26643 1 42 42 ASP . 26643 1 43 43 MET . 26643 1 44 44 CYS . 26643 1 45 45 GLY . 26643 1 46 46 ILE . 26643 1 47 47 SER . 26643 1 48 48 GLU . 26643 1 49 49 ALA . 26643 1 50 50 GLN . 26643 1 51 51 LEU . 26643 1 52 52 LYS . 26643 1 53 53 ASP . 26643 1 54 54 ARG . 26643 1 55 55 GLU . 26643 1 56 56 THR . 26643 1 57 57 SER . 26643 1 58 58 LYS . 26643 1 59 59 VAL . 26643 1 60 60 ILE . 26643 1 61 61 TYR . 26643 1 62 62 ASP . 26643 1 63 63 PHE . 26643 1 64 64 ILE . 26643 1 65 65 GLU . 26643 1 66 66 LYS . 26643 1 67 67 THR . 26643 1 68 68 GLY . 26643 1 69 69 GLY . 26643 1 70 70 VAL . 26643 1 71 71 GLU . 26643 1 72 72 ALA . 26643 1 73 73 VAL . 26643 1 74 74 LYS . 26643 1 75 75 ASN . 26643 1 76 76 GLU . 26643 1 77 77 LEU . 26643 1 78 78 ARG . 26643 1 79 79 ARG . 26643 1 80 80 GLN . 26643 1 81 81 GLY . 26643 1 82 82 GLY . 26643 1 83 83 SER . 26643 1 84 84 GLY . 26643 1 85 85 GLY . 26643 1 86 86 SER . 26643 1 87 87 ALA . 26643 1 88 88 ARG . 26643 1 89 89 LYS . 26643 1 90 90 ALA . 26643 1 91 91 SER . 26643 1 92 92 ILE . 26643 1 93 93 VAL . 26643 1 94 94 LYS . 26643 1 95 95 ASN . 26643 1 96 96 LEU . 26643 1 97 97 LYS . 26643 1 98 98 ASP . 26643 1 99 99 THR . 26643 1 100 100 LEU . 26643 1 101 101 GLY . 26643 1 102 102 ILE . 26643 1 103 103 GLY . 26643 1 104 104 LYS . 26643 1 105 105 VAL . 26643 1 106 106 LYS . 26643 1 107 107 ARG . 26643 1 108 108 LYS . 26643 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 26643 1 . HIS 2 2 26643 1 . MET 3 3 26643 1 . THR 4 4 26643 1 . LYS 5 5 26643 1 . ALA 6 6 26643 1 . ASP 7 7 26643 1 . ILE 8 8 26643 1 . GLY 9 9 26643 1 . THR 10 10 26643 1 . PRO 11 11 26643 1 . SER 12 12 26643 1 . ASN 13 13 26643 1 . PHE 14 14 26643 1 . GLN 15 15 26643 1 . HIS 16 16 26643 1 . ILE 17 17 26643 1 . GLY 18 18 26643 1 . HIS 19 19 26643 1 . VAL 20 20 26643 1 . GLY 21 21 26643 1 . TRP 22 22 26643 1 . ASP 23 23 26643 1 . PRO 24 24 26643 1 . ASN 25 25 26643 1 . THR 26 26 26643 1 . GLY 27 27 26643 1 . PHE 28 28 26643 1 . ASP 29 29 26643 1 . LEU 30 30 26643 1 . ASN 31 31 26643 1 . ASN 32 32 26643 1 . LEU 33 33 26643 1 . ASP 34 34 26643 1 . PRO 35 35 26643 1 . GLU 36 36 26643 1 . LEU 37 37 26643 1 . LYS 38 38 26643 1 . ASN 39 39 26643 1 . LEU 40 40 26643 1 . PHE 41 41 26643 1 . ASP 42 42 26643 1 . MET 43 43 26643 1 . CYS 44 44 26643 1 . GLY 45 45 26643 1 . ILE 46 46 26643 1 . SER 47 47 26643 1 . GLU 48 48 26643 1 . ALA 49 49 26643 1 . GLN 50 50 26643 1 . LEU 51 51 26643 1 . LYS 52 52 26643 1 . ASP 53 53 26643 1 . ARG 54 54 26643 1 . GLU 55 55 26643 1 . THR 56 56 26643 1 . SER 57 57 26643 1 . LYS 58 58 26643 1 . VAL 59 59 26643 1 . ILE 60 60 26643 1 . TYR 61 61 26643 1 . ASP 62 62 26643 1 . PHE 63 63 26643 1 . ILE 64 64 26643 1 . GLU 65 65 26643 1 . LYS 66 66 26643 1 . THR 67 67 26643 1 . GLY 68 68 26643 1 . GLY 69 69 26643 1 . VAL 70 70 26643 1 . GLU 71 71 26643 1 . ALA 72 72 26643 1 . VAL 73 73 26643 1 . LYS 74 74 26643 1 . ASN 75 75 26643 1 . GLU 76 76 26643 1 . LEU 77 77 26643 1 . ARG 78 78 26643 1 . ARG 79 79 26643 1 . GLN 80 80 26643 1 . GLY 81 81 26643 1 . GLY 82 82 26643 1 . SER 83 83 26643 1 . GLY 84 84 26643 1 . GLY 85 85 26643 1 . SER 86 86 26643 1 . ALA 87 87 26643 1 . ARG 88 88 26643 1 . LYS 89 89 26643 1 . ALA 90 90 26643 1 . SER 91 91 26643 1 . ILE 92 92 26643 1 . VAL 93 93 26643 1 . LYS 94 94 26643 1 . ASN 95 95 26643 1 . LEU 96 96 26643 1 . LYS 97 97 26643 1 . ASP 98 98 26643 1 . THR 99 99 26643 1 . LEU 100 100 26643 1 . GLY 101 101 26643 1 . ILE 102 102 26643 1 . GLY 103 103 26643 1 . LYS 104 104 26643 1 . VAL 105 105 26643 1 . LYS 106 106 26643 1 . ARG 107 107 26643 1 . LYS 108 108 26643 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 26643 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $GBD-Nck . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26643 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 26643 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $GBD-Nck . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'modified pet24' . . . 26643 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26643 _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 GBD-Nck '[U-98% 13C; U-98% 15N]' . . 1 $GBD-Nck . . 550 . . uM . . . . 26643 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26643 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26643 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 26643 _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' 100 . mM 26643 1 pH 7 . pH 26643 1 pressure 1 . atm 26643 1 temperature 298 . K 26643 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26643 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26643 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26643 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26643 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 26643 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26643 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 26643 _Software.ID 3 _Software.Name VNMRJ _Software.Version 4.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 26643 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26643 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26643 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26643 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent DD2 . 600 . . . 26643 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 26643 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26643 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26643 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26643 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 26643 _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 na indirect 0.251449530 . . . . . . . . . 26643 1 H 1 DSS 'methyl protons' . . . . ppm 0 na indirect 1.0 . . . . . . . . . 26643 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 26643 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 26643 _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 '3D CBCA(CO)NH' . . . 26643 1 2 '3D HNCO' . . . 26643 1 3 '3D HNCACB' . . . 26643 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 26643 1 2 $NMRPipe . . 26643 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 4 4 THR C C 13 174.3548 0.0000 . 1 . . . . 4 THR C . 26643 1 2 . 1 1 4 4 THR CA C 13 61.7732 0.0000 . 1 . 30437 . . 4 THR CA . 26643 1 3 . 1 1 4 4 THR CB C 13 69.9491 0.0000 . 1 . 30431 . . 4 THR CB . 26643 1 4 . 1 1 5 5 LYS H H 1 8.3816 0.0000 . 1 . 30430 . . 5 LYS H . 26643 1 5 . 1 1 5 5 LYS HA H 1 4.2992 0.0000 . 1 . . . . 5 LYS HA . 26643 1 6 . 1 1 5 5 LYS C C 13 176.0956 0.0000 . 1 . . . . 5 LYS C . 26643 1 7 . 1 1 5 5 LYS CA C 13 56.4262 0.0000 . 1 . 31334 . . 5 LYS CA . 26643 1 8 . 1 1 5 5 LYS CB C 13 33.1334 0.0000 . 1 . 30449 . . 5 LYS CB . 26643 1 9 . 1 1 5 5 LYS N N 15 123.9607 0.0000 . 1 . 30432 . . 5 LYS N . 26643 1 10 . 1 1 6 6 ALA H H 1 8.3024 0.0000 . 1 . 30403 . . 6 ALA H . 26643 1 11 . 1 1 6 6 ALA C C 13 177.3040 0.0000 . 1 . . . . 6 ALA C . 26643 1 12 . 1 1 6 6 ALA CA C 13 52.5182 0.0000 . 1 . 30407 . . 6 ALA CA . 26643 1 13 . 1 1 6 6 ALA CB C 13 19.3857 0.0000 . 1 . 30416 . . 6 ALA CB . 26643 1 14 . 1 1 6 6 ALA N N 15 125.2734 0.0000 . 1 . 30405 . . 6 ALA N . 26643 1 15 . 1 1 7 7 ASP H H 1 8.2711 0.0000 . 1 . 30739 . . 7 ASP H . 26643 1 16 . 1 1 7 7 ASP C C 13 176.3283 0.0000 . 1 . . . . 7 ASP C . 26643 1 17 . 1 1 7 7 ASP CA C 13 54.2879 0.0000 . 1 . 30740 . . 7 ASP CA . 26643 1 18 . 1 1 7 7 ASP CB C 13 41.3082 0.0000 . 1 . 30752 . . 7 ASP CB . 26643 1 19 . 1 1 7 7 ASP N N 15 119.9159 0.0000 . 1 . 30741 . . 7 ASP N . 26643 1 20 . 1 1 8 8 ILE H H 1 8.0194 0.0000 . 1 . 31597 . . 8 ILE H . 26643 1 21 . 1 1 8 8 ILE HA H 1 4.1779 0.0000 . 1 . . . . 8 ILE HA . 26643 1 22 . 1 1 8 8 ILE C C 13 176.7264 0.0000 . 1 . . . . 8 ILE C . 26643 1 23 . 1 1 8 8 ILE CA C 13 61.5147 0.0000 . 1 . 30713 . . 8 ILE CA . 26643 1 24 . 1 1 8 8 ILE CB C 13 38.7821 0.0000 . 1 . 30731 . . 8 ILE CB . 26643 1 25 . 1 1 8 8 ILE N N 15 120.2600 0.0000 . 1 . 31599 . . 8 ILE N . 26643 1 26 . 1 1 9 9 GLY H H 1 8.4327 0.0000 . 1 . 32008 . . 9 GLY H . 26643 1 27 . 1 1 9 9 GLY HA2 H 1 3.9744 0.0000 . 2 . . . . 9 GLY HA2 . 26643 1 28 . 1 1 9 9 GLY C C 13 173.9103 0.0000 . 1 . . . . 9 GLY C . 26643 1 29 . 1 1 9 9 GLY CA C 13 45.1831 0.0000 . 1 . 32423 . . 9 GLY CA . 26643 1 30 . 1 1 9 9 GLY N N 15 111.9905 0.0000 . 1 . 32009 . . 9 GLY N . 26643 1 31 . 1 1 10 10 THR H H 1 8.0386 0.0000 . 1 . 32054 . . 10 THR H . 26643 1 32 . 1 1 10 10 THR CA C 13 59.8269 0.0000 . 1 . 31079 . . 10 THR CA . 26643 1 33 . 1 1 10 10 THR CB C 13 69.7747 0.0000 . 1 . 31070 . . 10 THR CB . 26643 1 34 . 1 1 10 10 THR N N 15 116.5768 0.0000 . 1 . 32055 . . 10 THR N . 26643 1 35 . 1 1 13 13 ASN C C 13 174.9354 0.0000 . 1 . . . . 13 ASN C . 26643 1 36 . 1 1 13 13 ASN CA C 13 53.2083 0.0000 . 1 . 30722 . . 13 ASN CA . 26643 1 37 . 1 1 13 13 ASN CB C 13 38.6909 0.0000 . 1 . 31298 . . 13 ASN CB . 26643 1 38 . 1 1 14 14 PHE H H 1 8.1130 0.0000 . 1 . 32048 . . 14 PHE H . 26643 1 39 . 1 1 14 14 PHE C C 13 175.5872 0.0000 . 1 . . . . 14 PHE C . 26643 1 40 . 1 1 14 14 PHE CA C 13 58.0084 0.0000 . 1 . 30716 . . 14 PHE CA . 26643 1 41 . 1 1 14 14 PHE CB C 13 39.4062 0.0000 . 1 . 30728 . . 14 PHE CB . 26643 1 42 . 1 1 14 14 PHE N N 15 120.2182 0.0000 . 1 . 32049 . . 14 PHE N . 26643 1 43 . 1 1 15 15 GLN H H 1 8.1716 0.0000 . 1 . 32040 . . 15 GLN H . 26643 1 44 . 1 1 15 15 GLN CA C 13 55.9551 0.0000 . 1 . 30596 . . 15 GLN CA . 26643 1 45 . 1 1 15 15 GLN CB C 13 29.5435 0.0000 . 1 . 30608 . . 15 GLN CB . 26643 1 46 . 1 1 15 15 GLN N N 15 121.4291 0.0000 . 1 . 32041 . . 15 GLN N . 26643 1 47 . 1 1 16 16 HIS C C 13 175.3214 0.0000 . 1 . . . . 16 HIS C . 26643 1 48 . 1 1 16 16 HIS CA C 13 56.2427 0.0000 . 1 . 32472 . . 16 HIS CA . 26643 1 49 . 1 1 16 16 HIS CB C 13 30.6129 0.0000 . 1 . 30542 . . 16 HIS CB . 26643 1 50 . 1 1 17 17 ILE H H 1 8.0224 0.0000 . 1 . 30526 . . 17 ILE H . 26643 1 51 . 1 1 17 17 ILE HA H 1 4.1522 0.0000 . 1 . . . . 17 ILE HA . 26643 1 52 . 1 1 17 17 ILE C C 13 176.6322 0.0000 . 1 . . . . 17 ILE C . 26643 1 53 . 1 1 17 17 ILE CA C 13 61.5269 0.0000 . 1 . 30521 . . 17 ILE CA . 26643 1 54 . 1 1 17 17 ILE CB C 13 38.5844 0.0000 . 1 . 30539 . . 17 ILE CB . 26643 1 55 . 1 1 17 17 ILE N N 15 122.0669 0.0000 . 1 . 30528 . . 17 ILE N . 26643 1 56 . 1 1 18 18 GLY H H 1 8.7077 0.0000 . 1 . 31984 . . 18 GLY H . 26643 1 57 . 1 1 18 18 GLY C C 13 175.1936 0.0000 . 1 . . . . 18 GLY C . 26643 1 58 . 1 1 18 18 GLY CA C 13 45.2409 0.0000 . 1 . 31205 . . 18 GLY CA . 26643 1 59 . 1 1 18 18 GLY N N 15 112.8749 0.0000 . 1 . 31985 . . 18 GLY N . 26643 1 60 . 1 1 19 19 HIS H H 1 8.3061 0.0000 . 1 . 30736 . . 19 HIS H . 26643 1 61 . 1 1 19 19 HIS C C 13 175.2007 0.0000 . 1 . . . . 19 HIS C . 26643 1 62 . 1 1 19 19 HIS CA C 13 56.3017 0.0000 . 1 . 30737 . . 19 HIS CA . 26643 1 63 . 1 1 19 19 HIS CB C 13 31.1530 0.0000 . 1 . 30797 . . 19 HIS CB . 26643 1 64 . 1 1 19 19 HIS N N 15 119.8465 0.0000 . 1 . 30738 . . 19 HIS N . 26643 1 65 . 1 1 20 20 VAL H H 1 8.4219 0.0000 . 1 . 32012 . . 20 VAL H . 26643 1 66 . 1 1 20 20 VAL HA H 1 4.2163 0.0000 . 1 . . . . 20 VAL HA . 26643 1 67 . 1 1 20 20 VAL C C 13 175.7833 0.0000 . 1 . . . . 20 VAL C . 26643 1 68 . 1 1 20 20 VAL CA C 13 62.5946 0.0000 . 1 . 30497 . . 20 VAL CA . 26643 1 69 . 1 1 20 20 VAL CB C 13 32.9910 0.0000 . 1 . 30512 . . 20 VAL CB . 26643 1 70 . 1 1 20 20 VAL N N 15 122.3354 0.0000 . 1 . 32013 . . 20 VAL N . 26643 1 71 . 1 1 21 21 GLY H H 1 8.6503 0.0000 . 1 . 31225 . . 21 GLY H . 26643 1 72 . 1 1 21 21 GLY HA2 H 1 4.0855 0.0000 . 2 . . . . 21 GLY HA2 . 26643 1 73 . 1 1 21 21 GLY C C 13 173.0472 0.0000 . 1 . . . . 21 GLY C . 26643 1 74 . 1 1 21 21 GLY CA C 13 46.4114 0.0000 . 1 . 31223 . . 21 GLY CA . 26643 1 75 . 1 1 21 21 GLY N N 15 111.6358 0.0000 . 1 . 31227 . . 21 GLY N . 26643 1 76 . 1 1 22 22 TRP H H 1 7.8062 0.0000 . 1 . 32088 . . 22 TRP H . 26643 1 77 . 1 1 22 22 TRP HA H 1 4.2930 0.0000 . 1 . . . . 22 TRP HA . 26643 1 78 . 1 1 22 22 TRP C C 13 172.8456 0.0000 . 1 . . . . 22 TRP C . 26643 1 79 . 1 1 22 22 TRP CA C 13 57.6125 0.0000 . 1 . 30467 . . 22 TRP CA . 26643 1 80 . 1 1 22 22 TRP CB C 13 31.2260 0.0000 . 1 . 30476 . . 22 TRP CB . 26643 1 81 . 1 1 22 22 TRP N N 15 123.4408 0.0000 . 1 . 32089 . . 22 TRP N . 26643 1 82 . 1 1 23 23 ASP H H 1 7.0610 0.0000 . 1 . 32130 . . 23 ASP H . 26643 1 83 . 1 1 23 23 ASP CA C 13 50.1014 0.0000 . 1 . 30353 . . 23 ASP CA . 26643 1 84 . 1 1 23 23 ASP CB C 13 45.2849 0.0000 . 1 . 30356 . . 23 ASP CB . 26643 1 85 . 1 1 23 23 ASP N N 15 128.6973 0.0000 . 1 . 32131 . . 23 ASP N . 26643 1 86 . 1 1 24 24 PRO C C 13 176.9991 0.0000 . 1 . . . . 24 PRO C . 26643 1 87 . 1 1 24 24 PRO CA C 13 63.5299 0.0000 . 1 . 31181 . . 24 PRO CA . 26643 1 88 . 1 1 24 24 PRO CB C 13 31.8875 0.0000 . 1 . 31190 . . 24 PRO CB . 26643 1 89 . 1 1 25 25 ASN H H 1 8.4640 0.0000 . 1 . 32004 . . 25 ASN H . 26643 1 90 . 1 1 25 25 ASN C C 13 176.6505 0.0000 . 1 . . . . 25 ASN C . 26643 1 91 . 1 1 25 25 ASN CA C 13 54.5460 0.0000 . 1 . 31184 . . 25 ASN CA . 26643 1 92 . 1 1 25 25 ASN CB C 13 39.8754 0.0000 . 1 . 31187 . . 25 ASN CB . 26643 1 93 . 1 1 25 25 ASN N N 15 113.5559 0.0000 . 1 . 32005 . . 25 ASN N . 26643 1 94 . 1 1 26 26 THR H H 1 7.7288 0.0000 . 1 . 32096 . . 26 THR H . 26643 1 95 . 1 1 26 26 THR HA H 1 4.3485 0.0000 . 1 . . . . 26 THR HA . 26643 1 96 . 1 1 26 26 THR C C 13 174.6547 0.0000 . 1 . . . . 26 THR C . 26643 1 97 . 1 1 26 26 THR CA C 13 61.5019 0.0000 . 1 . 31247 . . 26 THR CA . 26643 1 98 . 1 1 26 26 THR CB C 13 69.7759 0.0000 . 1 . 31244 . . 26 THR CB . 26643 1 99 . 1 1 26 26 THR N N 15 108.4373 0.0000 . 1 . 32097 . . 26 THR N . 26643 1 100 . 1 1 27 27 GLY H H 1 7.9574 0.0000 . 1 . 32066 . . 27 GLY H . 26643 1 101 . 1 1 27 27 GLY HA2 H 1 4.2116 0.0000 . 2 . . . . 27 GLY HA2 . 26643 1 102 . 1 1 27 27 GLY HA3 H 1 3.5222 0.0000 . 2 . . . . 27 GLY HA3 . 26643 1 103 . 1 1 27 27 GLY C C 13 143.3368 0.0000 . 1 . . . . 27 GLY C . 26643 1 104 . 1 1 27 27 GLY CA C 13 45.3352 0.0000 . 1 . 31238 . . 27 GLY CA . 26643 1 105 . 1 1 27 27 GLY N N 15 110.5997 0.0000 . 1 . 32067 . . 27 GLY N . 26643 1 106 . 1 1 28 28 PHE H H 1 8.6684 0.0000 . 1 . 31986 . . 28 PHE H . 26643 1 107 . 1 1 28 28 PHE CA C 13 59.7579 0.0000 . 1 . 30611 . . 28 PHE CA . 26643 1 108 . 1 1 28 28 PHE CB C 13 40.5297 0.0000 . 1 . 32483 . . 28 PHE CB . 26643 1 109 . 1 1 28 28 PHE N N 15 121.0679 0.0000 . 1 . 31987 . . 28 PHE N . 26643 1 110 . 1 1 29 29 ASP C C 13 177.3480 0.0000 . 1 . . . . 29 ASP C . 26643 1 111 . 1 1 29 29 ASP CA C 13 52.7571 0.0000 . 1 . 30389 . . 29 ASP CA . 26643 1 112 . 1 1 29 29 ASP CB C 13 40.4589 0.0000 . 1 . 30392 . . 29 ASP CB . 26643 1 113 . 1 1 30 30 LEU H H 1 8.6307 0.0000 . 1 . 31420 . . 30 LEU H . 26643 1 114 . 1 1 30 30 LEU HA H 1 4.0702 0.0000 . 1 . . . . 30 LEU HA . 26643 1 115 . 1 1 30 30 LEU C C 13 178.4652 0.0000 . 1 . . . . 30 LEU C . 26643 1 116 . 1 1 30 30 LEU CA C 13 56.9105 0.0000 . 1 . 32475 . . 30 LEU CA . 26643 1 117 . 1 1 30 30 LEU CB C 13 40.5191 0.0000 . 1 . 32479 . . 30 LEU CB . 26643 1 118 . 1 1 30 30 LEU N N 15 125.7651 0.0000 . 1 . 31422 . . 30 LEU N . 26643 1 119 . 1 1 31 31 ASN H H 1 8.3318 0.0000 . 1 . 32020 . . 31 ASN H . 26643 1 120 . 1 1 31 31 ASN C C 13 175.5873 0.0000 . 1 . . . . 31 ASN C . 26643 1 121 . 1 1 31 31 ASN CA C 13 54.8460 0.0000 . 1 . 31121 . . 31 ASN CA . 26643 1 122 . 1 1 31 31 ASN CB C 13 38.7402 0.0000 . 1 . 31127 . . 31 ASN CB . 26643 1 123 . 1 1 31 31 ASN N N 15 115.7604 0.0000 . 1 . 32021 . . 31 ASN N . 26643 1 124 . 1 1 32 32 ASN H H 1 7.5144 0.0000 . 1 . 32106 . . 32 ASN H . 26643 1 125 . 1 1 32 32 ASN HA H 1 4.8672 0.0000 . 1 . . . . 32 ASN HA . 26643 1 126 . 1 1 32 32 ASN C C 13 173.6028 0.0000 . 1 . . . . 32 ASN C . 26643 1 127 . 1 1 32 32 ASN CA C 13 52.4668 0.0000 . 1 . 31034 . . 32 ASN CA . 26643 1 128 . 1 1 32 32 ASN CB C 13 39.8985 0.0000 . 1 . 31037 . . 32 ASN CB . 26643 1 129 . 1 1 32 32 ASN N N 15 117.3310 0.0000 . 1 . 32107 . . 32 ASN N . 26643 1 130 . 1 1 33 33 LEU H H 1 7.2823 0.0000 . 1 . 32124 . . 33 LEU H . 26643 1 131 . 1 1 33 33 LEU HA H 1 4.4303 0.0000 . 1 . . . . 33 LEU HA . 26643 1 132 . 1 1 33 33 LEU C C 13 176.3142 0.0000 . 1 . . . . 33 LEU C . 26643 1 133 . 1 1 33 33 LEU CA C 13 54.7714 0.0000 . 1 . 30530 . . 33 LEU CA . 26643 1 134 . 1 1 33 33 LEU CB C 13 43.6670 0.0000 . 1 . 30560 . . 33 LEU CB . 26643 1 135 . 1 1 33 33 LEU N N 15 122.0060 0.0000 . 1 . 32125 . . 33 LEU N . 26643 1 136 . 1 1 34 34 ASP H H 1 8.7668 0.0000 . 1 . 31387 . . 34 ASP H . 26643 1 137 . 1 1 34 34 ASP CA C 13 52.9844 0.0000 . 1 . 30341 . . 34 ASP CA . 26643 1 138 . 1 1 34 34 ASP CB C 13 42.8824 0.0000 . 1 . 30344 . . 34 ASP CB . 26643 1 139 . 1 1 34 34 ASP N N 15 128.9278 0.0000 . 1 . 31389 . . 34 ASP N . 26643 1 140 . 1 1 35 35 PRO HA H 1 4.1764 0.0000 . 1 . . . . 35 PRO HA . 26643 1 141 . 1 1 35 35 PRO C C 13 179.2400 0.0000 . 1 . . . . 35 PRO C . 26643 1 142 . 1 1 35 35 PRO CA C 13 65.1868 0.0000 . 1 . 30959 . . 35 PRO CA . 26643 1 143 . 1 1 35 35 PRO CB C 13 32.4055 0.0000 . 1 . 30980 . . 35 PRO CB . 26643 1 144 . 1 1 36 36 GLU H H 1 8.9010 0.0000 . 1 . 31966 . . 36 GLU H . 26643 1 145 . 1 1 36 36 GLU C C 13 179.6304 0.0000 . 1 . . . . 36 GLU C . 26643 1 146 . 1 1 36 36 GLU CA C 13 58.9690 0.0000 . 1 . 30965 . . 36 GLU CA . 26643 1 147 . 1 1 36 36 GLU CB C 13 29.4471 0.0000 . 1 . 30986 . . 36 GLU CB . 26643 1 148 . 1 1 36 36 GLU N N 15 118.1015 0.0000 . 1 . 31967 . . 36 GLU N . 26643 1 149 . 1 1 37 37 LEU H H 1 7.4689 0.0000 . 1 . 30838 . . 37 LEU H . 26643 1 150 . 1 1 37 37 LEU C C 13 177.0799 0.0000 . 1 . . . . 37 LEU C . 26643 1 151 . 1 1 37 37 LEU CA C 13 56.7357 0.0000 . 1 . 30854 . . 37 LEU CA . 26643 1 152 . 1 1 37 37 LEU CB C 13 40.8390 0.0000 . 1 . 30842 . . 37 LEU CB . 26643 1 153 . 1 1 37 37 LEU N N 15 119.1842 0.0000 . 1 . 30840 . . 37 LEU N . 26643 1 154 . 1 1 38 38 LYS H H 1 7.8596 0.0000 . 1 . 32078 . . 38 LYS H . 26643 1 155 . 1 1 38 38 LYS HA H 1 3.6388 0.0000 . 1 . . . . 38 LYS HA . 26643 1 156 . 1 1 38 38 LYS CA C 13 59.6912 0.0000 . 1 . 30962 . . 38 LYS CA . 26643 1 157 . 1 1 38 38 LYS CB C 13 31.9373 0.0000 . 1 . 30983 . . 38 LYS CB . 26643 1 158 . 1 1 38 38 LYS N N 15 148.0756 0.0000 . 1 . 32079 . . 38 LYS N . 26643 1 159 . 1 1 39 39 ASN H H 1 7.6885 0.0000 . 1 . 32098 . . 39 ASN H . 26643 1 160 . 1 1 39 39 ASN C C 13 177.1119 0.0000 . 1 . . . . 39 ASN C . 26643 1 161 . 1 1 39 39 ASN CA C 13 56.4161 0.0000 . 1 . 31136 . . 39 ASN CA . 26643 1 162 . 1 1 39 39 ASN CB C 13 38.3086 0.0000 . 1 . 31142 . . 39 ASN CB . 26643 1 163 . 1 1 39 39 ASN N N 15 115.5280 0.0000 . 1 . 32099 . . 39 ASN N . 26643 1 164 . 1 1 40 40 LEU H H 1 7.3837 0.0000 . 1 . 32118 . . 40 LEU H . 26643 1 165 . 1 1 40 40 LEU CA C 13 58.3641 0.0000 . 1 . 30668 . . 40 LEU CA . 26643 1 166 . 1 1 40 40 LEU CB C 13 40.4427 0.0000 . 1 . 30677 . . 40 LEU CB . 26643 1 167 . 1 1 40 40 LEU N N 15 120.7741 0.0000 . 1 . 32119 . . 40 LEU N . 26643 1 168 . 1 1 41 41 PHE H H 1 8.2460 0.0000 . 1 . . . . 41 PHE H . 26643 1 169 . 1 1 41 41 PHE C C 13 178.6059 0.0000 . 1 . . . . 41 PHE C . 26643 1 170 . 1 1 41 41 PHE CA C 13 57.9422 0.0000 . 1 . 32323 . . 41 PHE CA . 26643 1 171 . 1 1 41 41 PHE CB C 13 35.8440 0.0000 . 1 . 30638 . . 41 PHE CB . 26643 1 172 . 1 1 41 41 PHE N N 15 118.7901 0.0000 . 1 . . . . 41 PHE N . 26643 1 173 . 1 1 42 42 ASP H H 1 8.7684 0.0000 . 1 . 30637 . . 42 ASP H . 26643 1 174 . 1 1 42 42 ASP CA C 13 57.5960 0.0000 . 1 . 30620 . . 42 ASP CA . 26643 1 175 . 1 1 42 42 ASP CB C 13 40.1393 0.0000 . 1 . 30635 . . 42 ASP CB . 26643 1 176 . 1 1 42 42 ASP N N 15 121.2475 0.0000 . 1 . 30639 . . 42 ASP N . 26643 1 177 . 1 1 43 43 MET H H 1 8.5438 0.0000 . 1 . 32284 . . 43 MET H . 26643 1 178 . 1 1 43 43 MET HA H 1 4.1660 0.0000 . 1 . . . . 43 MET HA . 26643 1 179 . 1 1 43 43 MET C C 13 178.2964 0.0000 . 1 . . . . 43 MET C . 26643 1 180 . 1 1 43 43 MET CA C 13 59.2627 0.0000 . 1 . 32302 . . 43 MET CA . 26643 1 181 . 1 1 43 43 MET CB C 13 33.5992 0.0000 . 1 . 32287 . . 43 MET CB . 26643 1 182 . 1 1 43 43 MET N N 15 120.9815 0.0000 . 1 . 32285 . . 43 MET N . 26643 1 183 . 1 1 44 44 CYS H H 1 7.8163 0.0000 . 1 . 32449 . . 44 CYS H . 26643 1 184 . 1 1 44 44 CYS C C 13 173.6853 0.0000 . 1 . . . . 44 CYS C . 26643 1 185 . 1 1 44 44 CYS CA C 13 61.0810 0.0000 . 1 . 32452 . . 44 CYS CA . 26643 1 186 . 1 1 44 44 CYS CB C 13 28.9267 0.0000 . 1 . 32464 . . 44 CYS CB . 26643 1 187 . 1 1 44 44 CYS N N 15 114.5337 0.0000 . 1 . 32450 . . 44 CYS N . 26643 1 188 . 1 1 45 45 GLY H H 1 7.8411 0.0000 . 1 . 32082 . . 45 GLY H . 26643 1 189 . 1 1 45 45 GLY C C 13 174.7183 0.0000 . 1 . . . . 45 GLY C . 26643 1 190 . 1 1 45 45 GLY CA C 13 46.0288 0.0000 . 1 . 31307 . . 45 GLY CA . 26643 1 191 . 1 1 45 45 GLY N N 15 107.4838 0.0000 . 1 . 32083 . . 45 GLY N . 26643 1 192 . 1 1 46 46 ILE H H 1 7.7980 0.0000 . 1 . 32090 . . 46 ILE H . 26643 1 193 . 1 1 46 46 ILE HA H 1 4.0484 0.0000 . 1 . . . . 46 ILE HA . 26643 1 194 . 1 1 46 46 ILE C C 13 175.5865 0.0000 . 1 . . . . 46 ILE C . 26643 1 195 . 1 1 46 46 ILE CA C 13 61.2690 0.0000 . 1 . 30572 . . 46 ILE CA . 26643 1 196 . 1 1 46 46 ILE CB C 13 38.7004 0.0000 . 1 . 30581 . . 46 ILE CB . 26643 1 197 . 1 1 46 46 ILE N N 15 121.5372 0.0000 . 1 . 32091 . . 46 ILE N . 26643 1 198 . 1 1 47 47 SER H H 1 8.8615 0.0000 . 1 . 31432 . . 47 SER H . 26643 1 199 . 1 1 47 47 SER HA H 1 4.3473 0.0000 . 1 . . . . 47 SER HA . 26643 1 200 . 1 1 47 47 SER C C 13 174.9728 0.0000 . 1 . . . . 47 SER C . 26643 1 201 . 1 1 47 47 SER CA C 13 56.7087 0.0000 . 1 . 30401 . . 47 SER CA . 26643 1 202 . 1 1 47 47 SER CB C 13 66.3769 0.0000 . 1 . 30395 . . 47 SER CB . 26643 1 203 . 1 1 47 47 SER N N 15 125.4213 0.0000 . 1 . 31434 . . 47 SER N . 26643 1 204 . 1 1 48 48 GLU H H 1 8.8561 0.0000 . 1 . 31972 . . 48 GLU H . 26643 1 205 . 1 1 48 48 GLU C C 13 178.0928 0.0000 . 1 . . . . 48 GLU C . 26643 1 206 . 1 1 48 48 GLU CA C 13 60.5387 0.0000 . 1 . 30665 . . 48 GLU CA . 26643 1 207 . 1 1 48 48 GLU CB C 13 29.4309 0.0000 . 1 . 30689 . . 48 GLU CB . 26643 1 208 . 1 1 48 48 GLU N N 15 120.7045 0.0000 . 1 . 31973 . . 48 GLU N . 26643 1 209 . 1 1 49 49 ALA H H 1 8.1113 0.0000 . 1 . 32217 . . 49 ALA H . 26643 1 210 . 1 1 49 49 ALA HA H 1 4.0261 0.0000 . 1 . . . . 49 ALA HA . 26643 1 211 . 1 1 49 49 ALA C C 13 181.3253 0.0000 . 1 . . . . 49 ALA C . 26643 1 212 . 1 1 49 49 ALA CA C 13 55.2192 0.0000 . 1 . 32229 . . 49 ALA CA . 26643 1 213 . 1 1 49 49 ALA CB C 13 18.1815 0.0000 . 1 . 32235 . . 49 ALA CB . 26643 1 214 . 1 1 49 49 ALA N N 15 118.7294 0.0000 . 1 . 32219 . . 49 ALA N . 26643 1 215 . 1 1 50 50 GLN H H 1 7.6079 0.0000 . 1 . 31027 . . 50 GLN H . 26643 1 216 . 1 1 50 50 GLN CA C 13 59.0011 0.0000 . 1 . 31025 . . 50 GLN CA . 26643 1 217 . 1 1 50 50 GLN CB C 13 29.8389 0.0000 . 1 . 31043 . . 50 GLN CB . 26643 1 218 . 1 1 50 50 GLN N N 15 117.2166 0.0000 . 1 . 31029 . . 50 GLN N . 26643 1 219 . 1 1 51 51 LEU H H 1 7.4414 0.0000 . 1 . 32110 . . 51 LEU H . 26643 1 220 . 1 1 51 51 LEU CA C 13 56.6722 0.0000 . 1 . 31133 . . 51 LEU CA . 26643 1 221 . 1 1 51 51 LEU CB C 13 42.3281 0.0000 . 1 . 31139 . . 51 LEU CB . 26643 1 222 . 1 1 51 51 LEU N N 15 115.6274 0.0000 . 1 . 32111 . . 51 LEU N . 26643 1 223 . 1 1 52 52 LYS H H 1 7.4423 0.0000 . 1 . 32112 . . 52 LYS H . 26643 1 224 . 1 1 52 52 LYS HA H 1 4.6339 0.0000 . 1 . . . . 52 LYS HA . 26643 1 225 . 1 1 52 52 LYS C C 13 175.7131 0.0000 . 1 . . . . 52 LYS C . 26643 1 226 . 1 1 52 52 LYS CA C 13 55.1293 0.0000 . 1 . 31148 . . 52 LYS CA . 26643 1 227 . 1 1 52 52 LYS CB C 13 32.0655 0.0000 . 1 . 31151 . . 52 LYS CB . 26643 1 228 . 1 1 52 52 LYS N N 15 115.3526 0.0000 . 1 . 32113 . . 52 LYS N . 26643 1 229 . 1 1 53 53 ASP H H 1 7.2864 0.0000 . 1 . 31318 . . 53 ASP H . 26643 1 230 . 1 1 53 53 ASP C C 13 177.8281 0.0000 . 1 . . . . 53 ASP C . 26643 1 231 . 1 1 53 53 ASP CA C 13 54.2439 0.0000 . 1 . 30623 . . 53 ASP CA . 26643 1 232 . 1 1 53 53 ASP CB C 13 43.6184 0.0000 . 1 . 31322 . . 53 ASP CB . 26643 1 233 . 1 1 53 53 ASP N N 15 121.0788 0.0000 . 1 . 31320 . . 53 ASP N . 26643 1 234 . 1 1 54 54 ARG H H 1 9.0978 0.0000 . 1 . 31960 . . 54 ARG H . 26643 1 235 . 1 1 54 54 ARG HA H 1 3.8074 0.0000 . 1 . . . . 54 ARG HA . 26643 1 236 . 1 1 54 54 ARG C C 13 177.7996 0.0000 . 1 . . . . 54 ARG C . 26643 1 237 . 1 1 54 54 ARG CA C 13 60.6841 0.0000 . 1 . 30329 . . 54 ARG CA . 26643 1 238 . 1 1 54 54 ARG CB C 13 30.3831 0.0000 . 1 . 30338 . . 54 ARG CB . 26643 1 239 . 1 1 54 54 ARG N N 15 129.4853 0.0000 . 1 . 31961 . . 54 ARG N . 26643 1 240 . 1 1 55 55 GLU H H 1 8.4158 0.0000 . 1 . 32014 . . 55 GLU H . 26643 1 241 . 1 1 55 55 GLU HA H 1 4.2810 0.0000 . 1 . . . . 55 GLU HA . 26643 1 242 . 1 1 55 55 GLU C C 13 179.5820 0.0000 . 1 . . . . 55 GLU C . 26643 1 243 . 1 1 55 55 GLU CA C 13 59.3656 0.0000 . 1 . 31007 . . 55 GLU CA . 26643 1 244 . 1 1 55 55 GLU CB C 13 29.7787 0.0000 . 1 . 31004 . . 55 GLU CB . 26643 1 245 . 1 1 55 55 GLU N N 15 117.8114 0.0000 . 1 . 32015 . . 55 GLU N . 26643 1 246 . 1 1 56 56 THR H H 1 8.9909 0.0000 . 1 . 31084 . . 56 THR H . 26643 1 247 . 1 1 56 56 THR HA H 1 4.4663 0.0000 . 1 . . . . 56 THR HA . 26643 1 248 . 1 1 56 56 THR C C 13 177.0083 0.0000 . 1 . . . . 56 THR C . 26643 1 249 . 1 1 56 56 THR CA C 13 66.7786 0.0000 . 1 . 32330 . . 56 THR CA . 26643 1 250 . 1 1 56 56 THR CB C 13 68.0380 0.0000 . 1 . 32326 . . 56 THR CB . 26643 1 251 . 1 1 56 56 THR N N 15 116.6150 0.0000 . 1 . 31086 . . 56 THR N . 26643 1 252 . 1 1 57 57 SER H H 1 8.7364 0.0000 . 1 . 31978 . . 57 SER H . 26643 1 253 . 1 1 57 57 SER HA H 1 4.4490 0.0000 . 1 . . . . 57 SER HA . 26643 1 254 . 1 1 57 57 SER C C 13 175.9415 0.0000 . 1 . . . . 57 SER C . 26643 1 255 . 1 1 57 57 SER CA C 13 63.3463 0.0000 . 1 . 31064 . . 57 SER CA . 26643 1 256 . 1 1 57 57 SER N N 15 116.7021 0.0000 . 1 . 31979 . . 57 SER N . 26643 1 257 . 1 1 58 58 LYS H H 1 7.2101 0.0000 . 1 . 32126 . . 58 LYS H . 26643 1 258 . 1 1 58 58 LYS C C 13 177.3185 0.0000 . 1 . . . . 58 LYS C . 26643 1 259 . 1 1 58 58 LYS CA C 13 59.2010 0.0000 . 1 . 30440 . . 58 LYS CA . 26643 1 260 . 1 1 58 58 LYS CB C 13 32.4097 0.0000 . 1 . 30452 . . 58 LYS CB . 26643 1 261 . 1 1 58 58 LYS N N 15 123.8887 0.0000 . 1 . 32127 . . 58 LYS N . 26643 1 262 . 1 1 59 59 VAL H H 1 7.3430 0.0000 . 1 . 32120 . . 59 VAL H . 26643 1 263 . 1 1 59 59 VAL C C 13 179.4377 0.0000 . 1 . . . . 59 VAL C . 26643 1 264 . 1 1 59 59 VAL CA C 13 66.3635 0.0000 . 1 . 30848 . . 59 VAL CA . 26643 1 265 . 1 1 59 59 VAL CB C 13 31.6031 0.0000 . 1 . 30857 . . 59 VAL CB . 26643 1 266 . 1 1 59 59 VAL N N 15 119.1604 0.0000 . 1 . 32121 . . 59 VAL N . 26643 1 267 . 1 1 60 60 ILE H H 1 7.7354 0.0000 . 1 . 31651 . . 60 ILE H . 26643 1 268 . 1 1 60 60 ILE C C 13 177.1760 0.0000 . 1 . . . . 60 ILE C . 26643 1 269 . 1 1 60 60 ILE CA C 13 65.9485 0.0000 . 1 . 30761 . . 60 ILE CA . 26643 1 270 . 1 1 60 60 ILE CB C 13 38.5216 0.0000 . 1 . 30788 . . 60 ILE CB . 26643 1 271 . 1 1 60 60 ILE N N 15 119.8486 0.0000 . 1 . 31653 . . 60 ILE N . 26643 1 272 . 1 1 61 61 TYR H H 1 8.8764 0.0000 . 1 . 31968 . . 61 TYR H . 26643 1 273 . 1 1 61 61 TYR HA H 1 3.8145 0.0000 . 1 . . . . 61 TYR HA . 26643 1 274 . 1 1 61 61 TYR C C 13 177.3631 0.0000 . 1 . . . . 61 TYR C . 26643 1 275 . 1 1 61 61 TYR CA C 13 62.9709 0.0000 . 1 . 30551 . . 61 TYR CA . 26643 1 276 . 1 1 61 61 TYR CB C 13 37.5578 0.0000 . 1 . 30569 . . 61 TYR CB . 26643 1 277 . 1 1 61 61 TYR N N 15 121.8735 0.0000 . 1 . 31969 . . 61 TYR N . 26643 1 278 . 1 1 62 62 ASP H H 1 8.8991 0.0000 . 1 . 30823 . . 62 ASP H . 26643 1 279 . 1 1 62 62 ASP C C 13 178.6610 0.0000 . 1 . . . . 62 ASP C . 26643 1 280 . 1 1 62 62 ASP CA C 13 57.2404 0.0000 . 1 . 30809 . . 62 ASP CA . 26643 1 281 . 1 1 62 62 ASP CB C 13 39.8547 0.0000 . 1 . 30821 . . 62 ASP CB . 26643 1 282 . 1 1 62 62 ASP N N 15 119.4890 0.0000 . 1 . 30825 . . 62 ASP N . 26643 1 283 . 1 1 63 63 PHE H H 1 8.0426 0.0000 . 1 . 30556 . . 63 PHE H . 26643 1 284 . 1 1 63 63 PHE HA H 1 4.1367 0.0000 . 1 . . . . 63 PHE HA . 26643 1 285 . 1 1 63 63 PHE C C 13 178.5028 0.0000 . 1 . . . . 63 PHE C . 26643 1 286 . 1 1 63 63 PHE CA C 13 61.7764 0.0000 . 1 . 30557 . . 63 PHE CA . 26643 1 287 . 1 1 63 63 PHE N N 15 121.9905 0.0000 . 1 . 30558 . . 63 PHE N . 26643 1 288 . 1 1 64 64 ILE H H 1 8.4279 0.0000 . 1 . 32010 . . 64 ILE H . 26643 1 289 . 1 1 64 64 ILE C C 13 178.2150 0.0000 . 1 . . . . 64 ILE C . 26643 1 290 . 1 1 64 64 ILE CA C 13 65.2998 0.0000 . 1 . 30458 . . 64 ILE CA . 26643 1 291 . 1 1 64 64 ILE CB C 13 37.0828 0.0000 . 1 . 30464 . . 64 ILE CB . 26643 1 292 . 1 1 64 64 ILE N N 15 123.6182 0.0000 . 1 . 32011 . . 64 ILE N . 26643 1 293 . 1 1 65 65 GLU H H 1 8.2429 0.0000 . 1 . 32034 . . 65 GLU H . 26643 1 294 . 1 1 65 65 GLU C C 13 180.5523 0.0000 . 1 . . . . 65 GLU C . 26643 1 295 . 1 1 65 65 GLU CA C 13 59.9011 0.0000 . 1 . 30695 . . 65 GLU CA . 26643 1 296 . 1 1 65 65 GLU CB C 13 29.4634 0.0000 . 1 . 30710 . . 65 GLU CB . 26643 1 297 . 1 1 65 65 GLU N N 15 120.5101 0.0000 . 1 . 32035 . . 65 GLU N . 26643 1 298 . 1 1 66 66 LYS H H 1 8.5424 0.0000 . 1 . 32264 . . 66 LYS H . 26643 1 299 . 1 1 66 66 LYS HA H 1 3.9531 0.0000 . 1 . . . . 66 LYS HA . 26643 1 300 . 1 1 66 66 LYS C C 13 178.2641 0.0000 . 1 . . . . 66 LYS C . 26643 1 301 . 1 1 66 66 LYS CA C 13 58.7356 0.0000 . 1 . 32279 . . 66 LYS CA . 26643 1 302 . 1 1 66 66 LYS CB C 13 31.8880 0.0000 . 1 . 32273 . . 66 LYS CB . 26643 1 303 . 1 1 66 66 LYS N N 15 121.2253 0.0000 . 1 . 32266 . . 66 LYS N . 26643 1 304 . 1 1 67 67 THR H H 1 7.4158 0.0000 . 1 . 32114 . . 67 THR H . 26643 1 305 . 1 1 67 67 THR HA H 1 3.8098 0.0000 . 1 . . . . 67 THR HA . 26643 1 306 . 1 1 67 67 THR CA C 13 64.3077 0.0000 . 1 . 31157 . . 67 THR CA . 26643 1 307 . 1 1 67 67 THR CB C 13 68.4082 0.0000 . 1 . 31154 . . 67 THR CB . 26643 1 308 . 1 1 67 67 THR N N 15 114.8451 0.0000 . 1 . 32115 . . 67 THR N . 26643 1 309 . 1 1 68 68 GLY H H 1 7.3899 0.0000 . 1 . 30301 . . 68 GLY H . 26643 1 310 . 1 1 68 68 GLY HA2 H 1 4.3854 0.0000 . 2 . . . . 68 GLY HA2 . 26643 1 311 . 1 1 68 68 GLY HA3 H 1 3.6052 0.0000 . 2 . . . . 68 GLY HA3 . 26643 1 312 . 1 1 68 68 GLY C C 13 174.6804 0.0000 . 1 . . . . 68 GLY C . 26643 1 313 . 1 1 68 68 GLY CA C 13 44.5377 0.0000 . 1 . 30308 . . 68 GLY CA . 26643 1 314 . 1 1 68 68 GLY N N 15 134.6036 0.0000 . 1 . 30303 . . 68 GLY N . 26643 1 315 . 1 1 69 69 GLY H H 1 8.2970 0.0000 . 1 . 32026 . . 69 GLY H . 26643 1 316 . 1 1 69 69 GLY HA2 H 1 4.6618 0.0000 . 2 . . . . 69 GLY HA2 . 26643 1 317 . 1 1 69 69 GLY C C 13 173.4870 0.0000 . 1 . . . . 69 GLY C . 26643 1 318 . 1 1 69 69 GLY CA C 13 43.6110 0.0000 . 1 . 31229 . . 69 GLY CA . 26643 1 319 . 1 1 69 69 GLY N N 15 111.0402 0.0000 . 1 . 32027 . . 69 GLY N . 26643 1 320 . 1 1 70 70 VAL H H 1 8.7291 0.0000 . 1 . 30934 . . 70 VAL H . 26643 1 321 . 1 1 70 70 VAL C C 13 177.1076 0.0000 . 1 . . . . 70 VAL C . 26643 1 322 . 1 1 70 70 VAL CA C 13 67.5170 0.0000 . 1 . 30914 . . 70 VAL CA . 26643 1 323 . 1 1 70 70 VAL CB C 13 31.9972 0.0000 . 1 . 30935 . . 70 VAL CB . 26643 1 324 . 1 1 70 70 VAL N N 15 118.6197 0.0000 . 1 . 30936 . . 70 VAL N . 26643 1 325 . 1 1 71 71 GLU H H 1 8.4976 0.0000 . 1 . 32002 . . 71 GLU H . 26643 1 326 . 1 1 71 71 GLU HA H 1 3.9428 0.0000 . 1 . . . . 71 GLU HA . 26643 1 327 . 1 1 71 71 GLU C C 13 178.4401 0.0000 . 1 . . . . 71 GLU C . 26643 1 328 . 1 1 71 71 GLU CA C 13 59.4480 0.0000 . 1 . 30920 . . 71 GLU CA . 26643 1 329 . 1 1 71 71 GLU CB C 13 28.4801 0.0000 . 1 . 30941 . . 71 GLU CB . 26643 1 330 . 1 1 71 71 GLU N N 15 118.5961 0.0000 . 1 . 32003 . . 71 GLU N . 26643 1 331 . 1 1 72 72 ALA H H 1 7.5171 0.0000 . 1 . 30505 . . 72 ALA H . 26643 1 332 . 1 1 72 72 ALA HA H 1 4.1404 0.0000 . 1 . . . . 72 ALA HA . 26643 1 333 . 1 1 72 72 ALA C C 13 180.8082 0.0000 . 1 . . . . 72 ALA C . 26643 1 334 . 1 1 72 72 ALA CA C 13 54.9279 0.0000 . 1 . 30506 . . 72 ALA CA . 26643 1 335 . 1 1 72 72 ALA CB C 13 18.2140 0.0000 . 1 . 30518 . . 72 ALA CB . 26643 1 336 . 1 1 72 72 ALA N N 15 122.1879 0.0000 . 1 . 30507 . . 72 ALA N . 26643 1 337 . 1 1 73 73 VAL H H 1 7.9952 0.0000 . 1 . 30883 . . 73 VAL H . 26643 1 338 . 1 1 73 73 VAL C C 13 177.4533 0.0000 . 1 . . . . 73 VAL C . 26643 1 339 . 1 1 73 73 VAL CA C 13 66.8184 0.0000 . 1 . 30863 . . 73 VAL CA . 26643 1 340 . 1 1 73 73 VAL CB C 13 31.3113 0.0000 . 1 . 30902 . . 73 VAL CB . 26643 1 341 . 1 1 73 73 VAL N N 15 118.9356 0.0000 . 1 . 30885 . . 73 VAL N . 26643 1 342 . 1 1 74 74 LYS H H 1 8.2735 0.0000 . 1 . 32030 . . 74 LYS H . 26643 1 343 . 1 1 74 74 LYS C C 13 178.9124 0.0000 . 1 . . . . 74 LYS C . 26643 1 344 . 1 1 74 74 LYS CA C 13 60.6558 0.0000 . 1 . 30947 . . 74 LYS CA . 26643 1 345 . 1 1 74 74 LYS CB C 13 31.7528 0.0000 . 1 . 30950 . . 74 LYS CB . 26643 1 346 . 1 1 74 74 LYS N N 15 118.3943 0.0000 . 1 . 32031 . . 74 LYS N . 26643 1 347 . 1 1 75 75 ASN H H 1 8.2246 0.0000 . 1 . 32038 . . 75 ASN H . 26643 1 348 . 1 1 75 75 ASN C C 13 177.9250 0.0000 . 1 . . . . 75 ASN C . 26643 1 349 . 1 1 75 75 ASN CA C 13 56.2671 0.0000 . 1 . 31052 . . 75 ASN CA . 26643 1 350 . 1 1 75 75 ASN CB C 13 38.2633 0.0000 . 1 . 31055 . . 75 ASN CB . 26643 1 351 . 1 1 75 75 ASN N N 15 116.8749 0.0000 . 1 . 32039 . . 75 ASN N . 26643 1 352 . 1 1 76 76 GLU H H 1 7.9321 0.0000 . 1 . 32068 . . 76 GLU H . 26643 1 353 . 1 1 76 76 GLU C C 13 178.8574 0.0000 . 1 . . . . 76 GLU C . 26643 1 354 . 1 1 76 76 GLU CA C 13 58.7892 0.0000 . 1 . 30770 . . 76 GLU CA . 26643 1 355 . 1 1 76 76 GLU CB C 13 29.4076 0.0000 . 1 . 30800 . . 76 GLU CB . 26643 1 356 . 1 1 76 76 GLU N N 15 119.7865 0.0000 . 1 . 32069 . . 76 GLU N . 26643 1 357 . 1 1 77 77 LEU H H 1 8.1188 0.0000 . 1 . 32237 . . 77 LEU H . 26643 1 358 . 1 1 77 77 LEU HA H 1 4.0010 0.0000 . 1 . . . . 77 LEU HA . 26643 1 359 . 1 1 77 77 LEU C C 13 179.0612 0.0000 . 1 . . . . 77 LEU C . 26643 1 360 . 1 1 77 77 LEU CA C 13 57.2418 0.0000 . 1 . 32246 . . 77 LEU CA . 26643 1 361 . 1 1 77 77 LEU CB C 13 41.8110 0.0000 . 1 . 32241 . . 77 LEU CB . 26643 1 362 . 1 1 77 77 LEU N N 15 118.6814 0.0000 . 1 . 32239 . . 77 LEU N . 26643 1 363 . 1 1 78 78 ARG H H 1 7.8220 0.0000 . 1 . 32084 . . 78 ARG H . 26643 1 364 . 1 1 78 78 ARG HA H 1 4.1578 0.0000 . 1 . . . . 78 ARG HA . 26643 1 365 . 1 1 78 78 ARG C C 13 177.9647 0.0000 . 1 . . . . 78 ARG C . 26643 1 366 . 1 1 78 78 ARG CA C 13 57.8968 0.0000 . 1 . 30992 . . 78 ARG CA . 26643 1 367 . 1 1 78 78 ARG CB C 13 30.7092 0.0000 . 1 . 31001 . . 78 ARG CB . 26643 1 368 . 1 1 78 78 ARG N N 15 117.8642 0.0000 . 1 . 32085 . . 78 ARG N . 26643 1 369 . 1 1 79 79 ARG H H 1 7.7731 0.0000 . 1 . 32092 . . 79 ARG H . 26643 1 370 . 1 1 79 79 ARG HA H 1 4.1990 0.0000 . 1 . . . . 79 ARG HA . 26643 1 371 . 1 1 79 79 ARG C C 13 177.2953 0.0000 . 1 . . . . 79 ARG C . 26643 1 372 . 1 1 79 79 ARG CA C 13 57.8139 0.0000 . 1 . 30734 . . 79 ARG CA . 26643 1 373 . 1 1 79 79 ARG CB C 13 30.4793 0.0000 . 1 . 30755 . . 79 ARG CB . 26643 1 374 . 1 1 79 79 ARG N N 15 119.9247 0.0000 . 1 . 32093 . . 79 ARG N . 26643 1 375 . 1 1 80 80 GLN H H 1 8.1730 0.0000 . 1 . 30829 . . 80 GLN H . 26643 1 376 . 1 1 80 80 GLN CA C 13 56.2448 0.0000 . 1 . 32471 . . 80 GLN CA . 26643 1 377 . 1 1 80 80 GLN CB C 13 29.2278 0.0000 . 1 . 30830 . . 80 GLN CB . 26643 1 378 . 1 1 80 80 GLN N N 15 119.5749 0.0000 . 1 . 30831 . . 80 GLN N . 26643 1 379 . 1 1 87 87 ALA HA H 1 4.2536 0.0000 . 1 . . . . 87 ALA HA . 26643 1 380 . 1 1 87 87 ALA C C 13 178.3878 0.0000 . 1 . . . . 87 ALA C . 26643 1 381 . 1 1 87 87 ALA CA C 13 53.8375 0.0000 . 1 . 31013 . . 87 ALA CA . 26643 1 382 . 1 1 87 87 ALA CB C 13 18.8648 0.0000 . 1 . 31022 . . 87 ALA CB . 26643 1 383 . 1 1 88 88 ARG H H 1 8.0644 0.0000 . 1 . 31012 . . 88 ARG H . 26643 1 384 . 1 1 88 88 ARG HA H 1 4.2248 0.0000 . 1 . . . . 88 ARG HA . 26643 1 385 . 1 1 88 88 ARG C C 13 177.0741 0.0000 . 1 . . . . 88 ARG C . 26643 1 386 . 1 1 88 88 ARG CA C 13 57.5876 0.0000 . 1 . 31010 . . 88 ARG CA . 26643 1 387 . 1 1 88 88 ARG CB C 13 30.2954 0.0000 . 1 . 31019 . . 88 ARG CB . 26643 1 388 . 1 1 88 88 ARG N N 15 117.7409 0.0000 . 1 . 31014 . . 88 ARG N . 26643 1 389 . 1 1 89 89 LYS H H 1 7.9650 0.0000 . 1 . 31300 . . 89 LYS H . 26643 1 390 . 1 1 89 89 LYS HA H 1 4.1856 0.0000 . 1 . . . . 89 LYS HA . 26643 1 391 . 1 1 89 89 LYS C C 13 176.3239 0.0000 . 1 . . . . 89 LYS C . 26643 1 392 . 1 1 89 89 LYS CA C 13 57.0595 0.0000 . 1 . 30776 . . 89 LYS CA . 26643 1 393 . 1 1 89 89 LYS CB C 13 32.6930 0.0000 . 1 . 30794 . . 89 LYS CB . 26643 1 394 . 1 1 89 89 LYS N N 15 119.7511 0.0000 . 1 . 31302 . . 89 LYS N . 26643 1 395 . 1 1 90 90 ALA H H 1 7.9746 0.0000 . 1 . 32064 . . 90 ALA H . 26643 1 396 . 1 1 90 90 ALA CA C 13 53.1301 0.0000 . 1 . 30482 . . 90 ALA CA . 26643 1 397 . 1 1 90 90 ALA CB C 13 19.0974 0.0000 . 1 . 30488 . . 90 ALA CB . 26643 1 398 . 1 1 90 90 ALA N N 15 122.5675 0.0000 . 1 . 32065 . . 90 ALA N . 26643 1 399 . 1 1 91 91 SER HA H 1 4.3060 0.0000 . 1 . . . . 91 SER HA . 26643 1 400 . 1 1 91 91 SER C C 13 175.7206 0.0000 . 1 . . . . 91 SER C . 26643 1 401 . 1 1 91 91 SER CA C 13 60.4035 0.0000 . 1 . 30500 . . 91 SER CA . 26643 1 402 . 1 1 91 91 SER CB C 13 63.2964 0.0000 . 1 . 31475 . . 91 SER CB . 26643 1 403 . 1 1 92 92 ILE H H 1 8.5127 0.0000 . 1 . 32000 . . 92 ILE H . 26643 1 404 . 1 1 92 92 ILE HA H 1 4.2151 0.0000 . 1 . . . . 92 ILE HA . 26643 1 405 . 1 1 92 92 ILE C C 13 176.0155 0.0000 . 1 . . . . 92 ILE C . 26643 1 406 . 1 1 92 92 ILE CA C 13 64.5801 0.0000 . 1 . 30491 . . 92 ILE CA . 26643 1 407 . 1 1 92 92 ILE CB C 13 37.6200 0.0000 . 1 . 30509 . . 92 ILE CB . 26643 1 408 . 1 1 92 92 ILE N N 15 122.2553 0.0000 . 1 . 32001 . . 92 ILE N . 26643 1 409 . 1 1 93 93 VAL H H 1 7.1979 0.0000 . 1 . 32128 . . 93 VAL H . 26643 1 410 . 1 1 93 93 VAL C C 13 177.1043 0.0000 . 1 . . . . 93 VAL C . 26643 1 411 . 1 1 93 93 VAL CA C 13 65.7703 0.0000 . 1 . 30659 . . 93 VAL CA . 26643 1 412 . 1 1 93 93 VAL CB C 13 32.2226 0.0000 . 1 . 30686 . . 93 VAL CB . 26643 1 413 . 1 1 93 93 VAL N N 15 120.6139 0.0000 . 1 . 32129 . . 93 VAL N . 26643 1 414 . 1 1 94 94 LYS H H 1 7.4871 0.0000 . 1 . 32108 . . 94 LYS H . 26643 1 415 . 1 1 94 94 LYS HA H 1 3.8651 0.0000 . 1 . . . . 94 LYS HA . 26643 1 416 . 1 1 94 94 LYS C C 13 178.3675 0.0000 . 1 . . . . 94 LYS C . 26643 1 417 . 1 1 94 94 LYS CA C 13 59.4057 0.0000 . 1 . 30836 . . 94 LYS CA . 26643 1 418 . 1 1 94 94 LYS CB C 13 32.4431 0.0000 . 1 . 30845 . . 94 LYS CB . 26643 1 419 . 1 1 94 94 LYS N N 15 119.2166 0.0000 . 1 . 32109 . . 94 LYS N . 26643 1 420 . 1 1 95 95 ASN H H 1 8.5865 0.0000 . 1 . 31994 . . 95 ASN H . 26643 1 421 . 1 1 95 95 ASN C C 13 178.5290 0.0000 . 1 . . . . 95 ASN C . 26643 1 422 . 1 1 95 95 ASN CA C 13 56.0098 0.0000 . 1 . 31106 . . 95 ASN CA . 26643 1 423 . 1 1 95 95 ASN CB C 13 37.7601 0.0000 . 1 . 31109 . . 95 ASN CB . 26643 1 424 . 1 1 95 95 ASN N N 15 116.1221 0.0000 . 1 . 31995 . . 95 ASN N . 26643 1 425 . 1 1 96 96 LEU H H 1 8.3350 0.0000 . 1 . 31438 . . 96 LEU H . 26643 1 426 . 1 1 96 96 LEU C C 13 178.0720 0.0000 . 1 . . . . 96 LEU C . 26643 1 427 . 1 1 96 96 LEU CA C 13 58.2855 0.0000 . 1 . 30419 . . 96 LEU CA . 26643 1 428 . 1 1 96 96 LEU CB C 13 39.4059 0.0000 . 1 . 30425 . . 96 LEU CB . 26643 1 429 . 1 1 96 96 LEU N N 15 125.0586 0.0000 . 1 . 31440 . . 96 LEU N . 26643 1 430 . 1 1 97 97 LYS H H 1 8.2489 0.0000 . 1 . 33164 . . 97 LYS H . 26643 1 431 . 1 1 97 97 LYS C C 13 179.7134 0.0000 . 1 . . . . 97 LYS C . 26643 1 432 . 1 1 97 97 LYS CA C 13 61.2726 0.0000 . 1 . 30869 . . 97 LYS CA . 26643 1 433 . 1 1 97 97 LYS CB C 13 32.2166 0.0000 . 1 . 30899 . . 97 LYS CB . 26643 1 434 . 1 1 97 97 LYS N N 15 118.8613 0.0000 . 1 . 33165 . . 97 LYS N . 26643 1 435 . 1 1 98 98 ASP H H 1 8.7076 0.0000 . 1 . 31696 . . 98 ASP H . 26643 1 436 . 1 1 98 98 ASP C C 13 179.4887 0.0000 . 1 . . . . 98 ASP C . 26643 1 437 . 1 1 98 98 ASP CA C 13 57.1752 0.0000 . 1 . 30878 . . 98 ASP CA . 26643 1 438 . 1 1 98 98 ASP CB C 13 40.1968 0.0000 . 1 . 30890 . . 98 ASP CB . 26643 1 439 . 1 1 98 98 ASP N N 15 118.7866 0.0000 . 1 . 31698 . . 98 ASP N . 26643 1 440 . 1 1 99 99 THR H H 1 7.9243 0.0000 . 1 . 32070 . . 99 THR H . 26643 1 441 . 1 1 99 99 THR HA H 1 4.2473 0.0000 . 1 . . . . 99 THR HA . 26643 1 442 . 1 1 99 99 THR C C 13 175.5819 0.0000 . 1 . . . . 99 THR C . 26643 1 443 . 1 1 99 99 THR CA C 13 66.6958 0.0000 . 1 . 30956 . . 99 THR CA . 26643 1 444 . 1 1 99 99 THR CB C 13 68.8694 0.0000 . 1 . 30953 . . 99 THR CB . 26643 1 445 . 1 1 99 99 THR N N 15 118.1225 0.0000 . 1 . 32071 . . 99 THR N . 26643 1 446 . 1 1 100 100 LEU H H 1 7.5631 0.0000 . 1 . 32102 . . 100 LEU H . 26643 1 447 . 1 1 100 100 LEU HA H 1 4.1989 0.0000 . 1 . . . . 100 LEU HA . 26643 1 448 . 1 1 100 100 LEU C C 13 177.5027 0.0000 . 1 . . . . 100 LEU C . 26643 1 449 . 1 1 100 100 LEU CA C 13 55.7129 0.0000 . 1 . 30815 . . 100 LEU CA . 26643 1 450 . 1 1 100 100 LEU CB C 13 43.0563 0.0000 . 1 . 30818 . . 100 LEU CB . 26643 1 451 . 1 1 100 100 LEU N N 15 119.5375 0.0000 . 1 . 32103 . . 100 LEU N . 26643 1 452 . 1 1 101 101 GLY H H 1 7.8682 0.0000 . 1 . 32076 . . 101 GLY H . 26643 1 453 . 1 1 101 101 GLY C C 13 175.0656 0.0000 . 1 . . . . 101 GLY C . 26643 1 454 . 1 1 101 101 GLY CA C 13 46.1633 0.0000 . 1 . 31265 . . 101 GLY CA . 26643 1 455 . 1 1 101 101 GLY N N 15 107.9602 0.0000 . 1 . 32077 . . 101 GLY N . 26643 1 456 . 1 1 102 102 ILE H H 1 7.8945 0.0000 . 1 . 32072 . . 102 ILE H . 26643 1 457 . 1 1 102 102 ILE HA H 1 4.0716 0.0000 . 1 . . . . 102 ILE HA . 26643 1 458 . 1 1 102 102 ILE C C 13 176.9762 0.0000 . 1 . . . . 102 ILE C . 26643 1 459 . 1 1 102 102 ILE CA C 13 62.1051 0.0000 . 1 . 30764 . . 102 ILE CA . 26643 1 460 . 1 1 102 102 ILE CB C 13 38.2283 0.0000 . 1 . 30791 . . 102 ILE CB . 26643 1 461 . 1 1 102 102 ILE N N 15 119.7666 0.0000 . 1 . 32073 . . 102 ILE N . 26643 1 462 . 1 1 103 103 GLY H H 1 8.6108 0.0000 . 1 . 31198 . . 103 GLY H . 26643 1 463 . 1 1 103 103 GLY C C 13 174.1504 0.0000 . 1 . . . . 103 GLY C . 26643 1 464 . 1 1 103 103 GLY CA C 13 45.4233 0.0000 . 1 . 31196 . . 103 GLY CA . 26643 1 465 . 1 1 103 103 GLY N N 15 113.3687 0.0000 . 1 . 31200 . . 103 GLY N . 26643 1 466 . 1 1 104 104 LYS H H 1 7.8884 0.0000 . 1 . 32074 . . 104 LYS H . 26643 1 467 . 1 1 104 104 LYS HA H 1 4.3418 0.0000 . 1 . . . . 104 LYS HA . 26643 1 468 . 1 1 104 104 LYS C C 13 176.5223 0.0000 . 1 . . . . 104 LYS C . 26643 1 469 . 1 1 104 104 LYS CA C 13 56.2044 0.0000 . 1 . 30698 . . 104 LYS CA . 26643 1 470 . 1 1 104 104 LYS CB C 13 33.1204 0.0000 . 1 . 30707 . . 104 LYS CB . 26643 1 471 . 1 1 104 104 LYS N N 15 120.4350 0.0000 . 1 . 32075 . . 104 LYS N . 26643 1 472 . 1 1 105 105 VAL H H 1 8.1146 0.0000 . 1 . 31516 . . 105 VAL H . 26643 1 473 . 1 1 105 105 VAL HA H 1 4.0777 0.0000 . 1 . . . . 105 VAL HA . 26643 1 474 . 1 1 105 105 VAL C C 13 175.9361 0.0000 . 1 . . . . 105 VAL C . 26643 1 475 . 1 1 105 105 VAL CA C 13 62.3249 0.0000 . 1 . 32336 . . 105 VAL CA . 26643 1 476 . 1 1 105 105 VAL CB C 13 32.8324 0.0000 . 1 . 32332 . . 105 VAL CB . 26643 1 477 . 1 1 105 105 VAL N N 15 121.4835 0.0000 . 1 . 31518 . . 105 VAL N . 26643 1 478 . 1 1 106 106 LYS H H 1 8.4386 0.0000 . 1 . 32006 . . 106 LYS H . 26643 1 479 . 1 1 106 106 LYS CB C 13 33.1104 0.0000 . 1 . 30383 . . 106 LYS CB . 26643 1 480 . 1 1 106 106 LYS N N 15 126.4028 0.0000 . 1 . 32007 . . 106 LYS N . 26643 1 481 . 1 1 107 107 ARG HA H 1 4.3333 0.0000 . 1 . . . . 107 ARG HA . 26643 1 482 . 1 1 107 107 ARG C C 13 175.2584 0.0000 . 1 . . . . 107 ARG C . 26643 1 483 . 1 1 107 107 ARG CA C 13 56.0766 0.0000 . 1 . . . . 107 ARG CA . 26643 1 484 . 1 1 107 107 ARG CB C 13 31.1103 0.0000 . 1 . . . . 107 ARG CB . 26643 1 485 . 1 1 108 108 LYS H H 1 7.9851 0.0000 . 1 . . . . 108 LYS H . 26643 1 486 . 1 1 108 108 LYS CA C 13 57.9215 0.0000 . 1 . . . . 108 LYS CA . 26643 1 487 . 1 1 108 108 LYS CB C 13 33.7835 0.0000 . 1 . . . . 108 LYS CB . 26643 1 488 . 1 1 108 108 LYS N N 15 127.9976 0.0000 . 1 . . . . 108 LYS N . 26643 1 stop_ save_