data_19171 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19171 _Entry.Title ; transcriptional repressor domain of methylated DNA binding domain protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-16 _Entry.Accession_date 2013-04-16 _Entry.Last_release_date 2014-09-19 _Entry.Original_release_date 2014-09-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'transcriptional repressor domain of methylated DNA binding domain protein 1 , D507-Q605' _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 Jackwee Lim . . . 19171 2 'Umar Farook' 'Shahul Hameed' . . . 19171 3 Daiwen Yang . . . 19171 4 Swaminathan Kunchithapadam . . . 19171 5 Mariusz Wasik . A. . 19171 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19171 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 442 19171 '13C chemical shifts' 258 19171 '15N chemical shifts' 91 19171 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 . . 2014-09-19 2013-04-16 original author . 19171 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19171 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/srep04896 _Citation.PubMed_ID 24810720 _Citation.Full_citation . _Citation.Title 'Transcriptional repressor domain of MBD1 is intrinsically disordered and interacts with its binding partners in a selective manner.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 4 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 4896 _Citation.Page_last 4896 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Umar Farook Shahul' Hameed U. F. . 19171 1 2 Jackwee Lim J. . . 19171 1 3 Qian Zhang Q. . . 19171 1 4 Mariusz Wasik M. A. . 19171 1 5 Daiwen Yang D. . . 19171 1 6 Kunchithapadam Swaminathan K. . . 19171 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19171 _Assembly.ID 1 _Assembly.Name 'TRD of MBD1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12594 _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 'TRD of MBD1' 1 $TRD_of_MBD1 A . yes native no no . . . 19171 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TRD_of_MBD1 _Entity.Sf_category entity _Entity.Sf_framecode TRD_of_MBD1 _Entity.Entry_ID 19171 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TRD_of_MBD1 _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 ; MHHHHHHSSGLVPRGSEFDE WTPGTAVLTSPVLVPGCPSK AVDPGLPSVKQEPPDPEEDK EENKDDSASKLAPEEEAGGA GTPVITEIFSLGGTRFRDTA VWLPRSKDLKKPGARKQ ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _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 DBJ BAE02268 . "unnamed protein product [Macaca fascicularis]" . . . . . 84.62 432 100.00 100.00 4.97e-59 . . . . 19171 1 2 no DBJ BAF84208 . "unnamed protein product [Homo sapiens]" . . . . . 84.62 605 100.00 100.00 7.96e-58 . . . . 19171 1 3 no DBJ BAG58353 . "unnamed protein product [Homo sapiens]" . . . . . 84.62 656 100.00 100.00 1.18e-57 . . . . 19171 1 4 no DBJ BAG63407 . "unnamed protein product [Homo sapiens]" . . . . . 84.62 630 100.00 100.00 9.96e-58 . . . . 19171 1 5 no DBJ BAI45833 . "methyl-CpG binding domain protein 1 [synthetic construct]" . . . . . 84.62 630 100.00 100.00 9.96e-58 . . . . 19171 1 6 no EMBL CAA71735 . "methyl-CpG binding protein [Homo sapiens]" . . . . . 84.62 556 100.00 100.00 5.59e-58 . . . . 19171 1 7 no EMBL CAH90629 . "hypothetical protein [Pongo abelii]" . . . . . 84.62 605 98.99 98.99 3.86e-57 . . . . 19171 1 8 no GB AAD50371 . "methyl-CpG binding protein 1 [Homo sapiens]" . . . . . 84.62 605 100.00 100.00 6.47e-58 . . . . 19171 1 9 no GB AAD51442 . "methyl-CpG binding protein splice variant 1 [Homo sapiens]" . . . . . 84.62 605 100.00 100.00 8.04e-58 . . . . 19171 1 10 no GB AAD51444 . "methyl-CpG binding protein splice variant 3 [Homo sapiens]" . . . . . 84.62 549 100.00 100.00 7.73e-58 . . . . 19171 1 11 no GB AAH33242 . "Methyl-CpG binding domain protein 1 [Homo sapiens]" . . . . . 84.62 549 100.00 100.00 7.57e-58 . . . . 19171 1 12 no GB ABM47767 . "MBD1 [Saguinus labiatus]" . . . . . 73.50 266 100.00 100.00 3.70e-51 . . . . 19171 1 13 no REF NP_001191065 . "methyl-CpG-binding domain protein 1 isoform 6 [Homo sapiens]" . . . . . 73.50 655 100.00 100.00 1.72e-48 . . . . 19171 1 14 no REF NP_001191066 . "methyl-CpG-binding domain protein 1 isoform 7 [Homo sapiens]" . . . . . 84.62 630 100.00 100.00 9.96e-58 . . . . 19171 1 15 no REF NP_001191067 . "methyl-CpG-binding domain protein 1 isoform 8 [Homo sapiens]" . . . . . 84.62 629 100.00 100.00 1.08e-57 . . . . 19171 1 16 no REF NP_001191068 . "methyl-CpG-binding domain protein 1 isoform 1 [Homo sapiens]" . . . . . 84.62 605 100.00 100.00 7.96e-58 . . . . 19171 1 17 no REF NP_001191069 . "methyl-CpG-binding domain protein 1 isoform 9 [Homo sapiens]" . . . . . 84.62 574 100.00 100.00 1.07e-57 . . . . 19171 1 18 no SP Q9UIS9 . "RecName: Full=Methyl-CpG-binding domain protein 1; AltName: Full=CXXC-type zinc finger protein 3; AltName: Full=Methyl-CpG-bind" . . . . . 84.62 605 100.00 100.00 7.96e-58 . . . . 19171 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'gene repression' 19171 1 'recruiting binding partners for heterochromatin formation' 19171 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 19171 1 2 2 HIS . 19171 1 3 3 HIS . 19171 1 4 4 HIS . 19171 1 5 5 HIS . 19171 1 6 6 HIS . 19171 1 7 7 HIS . 19171 1 8 8 SER . 19171 1 9 9 SER . 19171 1 10 10 GLY . 19171 1 11 11 LEU . 19171 1 12 12 VAL . 19171 1 13 13 PRO . 19171 1 14 14 ARG . 19171 1 15 15 GLY . 19171 1 16 16 SER . 19171 1 17 17 GLU . 19171 1 18 18 PHE . 19171 1 19 19 ASP . 19171 1 20 20 GLU . 19171 1 21 21 TRP . 19171 1 22 22 THR . 19171 1 23 23 PRO . 19171 1 24 24 GLY . 19171 1 25 25 THR . 19171 1 26 26 ALA . 19171 1 27 27 VAL . 19171 1 28 28 LEU . 19171 1 29 29 THR . 19171 1 30 30 SER . 19171 1 31 31 PRO . 19171 1 32 32 VAL . 19171 1 33 33 LEU . 19171 1 34 34 VAL . 19171 1 35 35 PRO . 19171 1 36 36 GLY . 19171 1 37 37 CYS . 19171 1 38 38 PRO . 19171 1 39 39 SER . 19171 1 40 40 LYS . 19171 1 41 41 ALA . 19171 1 42 42 VAL . 19171 1 43 43 ASP . 19171 1 44 44 PRO . 19171 1 45 45 GLY . 19171 1 46 46 LEU . 19171 1 47 47 PRO . 19171 1 48 48 SER . 19171 1 49 49 VAL . 19171 1 50 50 LYS . 19171 1 51 51 GLN . 19171 1 52 52 GLU . 19171 1 53 53 PRO . 19171 1 54 54 PRO . 19171 1 55 55 ASP . 19171 1 56 56 PRO . 19171 1 57 57 GLU . 19171 1 58 58 GLU . 19171 1 59 59 ASP . 19171 1 60 60 LYS . 19171 1 61 61 GLU . 19171 1 62 62 GLU . 19171 1 63 63 ASN . 19171 1 64 64 LYS . 19171 1 65 65 ASP . 19171 1 66 66 ASP . 19171 1 67 67 SER . 19171 1 68 68 ALA . 19171 1 69 69 SER . 19171 1 70 70 LYS . 19171 1 71 71 LEU . 19171 1 72 72 ALA . 19171 1 73 73 PRO . 19171 1 74 74 GLU . 19171 1 75 75 GLU . 19171 1 76 76 GLU . 19171 1 77 77 ALA . 19171 1 78 78 GLY . 19171 1 79 79 GLY . 19171 1 80 80 ALA . 19171 1 81 81 GLY . 19171 1 82 82 THR . 19171 1 83 83 PRO . 19171 1 84 84 VAL . 19171 1 85 85 ILE . 19171 1 86 86 THR . 19171 1 87 87 GLU . 19171 1 88 88 ILE . 19171 1 89 89 PHE . 19171 1 90 90 SER . 19171 1 91 91 LEU . 19171 1 92 92 GLY . 19171 1 93 93 GLY . 19171 1 94 94 THR . 19171 1 95 95 ARG . 19171 1 96 96 PHE . 19171 1 97 97 ARG . 19171 1 98 98 ASP . 19171 1 99 99 THR . 19171 1 100 100 ALA . 19171 1 101 101 VAL . 19171 1 102 102 TRP . 19171 1 103 103 LEU . 19171 1 104 104 PRO . 19171 1 105 105 ARG . 19171 1 106 106 SER . 19171 1 107 107 LYS . 19171 1 108 108 ASP . 19171 1 109 109 LEU . 19171 1 110 110 LYS . 19171 1 111 111 LYS . 19171 1 112 112 PRO . 19171 1 113 113 GLY . 19171 1 114 114 ALA . 19171 1 115 115 ARG . 19171 1 116 116 LYS . 19171 1 117 117 GLN . 19171 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19171 1 . HIS 2 2 19171 1 . HIS 3 3 19171 1 . HIS 4 4 19171 1 . HIS 5 5 19171 1 . HIS 6 6 19171 1 . HIS 7 7 19171 1 . SER 8 8 19171 1 . SER 9 9 19171 1 . GLY 10 10 19171 1 . LEU 11 11 19171 1 . VAL 12 12 19171 1 . PRO 13 13 19171 1 . ARG 14 14 19171 1 . GLY 15 15 19171 1 . SER 16 16 19171 1 . GLU 17 17 19171 1 . PHE 18 18 19171 1 . ASP 19 19 19171 1 . GLU 20 20 19171 1 . TRP 21 21 19171 1 . THR 22 22 19171 1 . PRO 23 23 19171 1 . GLY 24 24 19171 1 . THR 25 25 19171 1 . ALA 26 26 19171 1 . VAL 27 27 19171 1 . LEU 28 28 19171 1 . THR 29 29 19171 1 . SER 30 30 19171 1 . PRO 31 31 19171 1 . VAL 32 32 19171 1 . LEU 33 33 19171 1 . VAL 34 34 19171 1 . PRO 35 35 19171 1 . GLY 36 36 19171 1 . CYS 37 37 19171 1 . PRO 38 38 19171 1 . SER 39 39 19171 1 . LYS 40 40 19171 1 . ALA 41 41 19171 1 . VAL 42 42 19171 1 . ASP 43 43 19171 1 . PRO 44 44 19171 1 . GLY 45 45 19171 1 . LEU 46 46 19171 1 . PRO 47 47 19171 1 . SER 48 48 19171 1 . VAL 49 49 19171 1 . LYS 50 50 19171 1 . GLN 51 51 19171 1 . GLU 52 52 19171 1 . PRO 53 53 19171 1 . PRO 54 54 19171 1 . ASP 55 55 19171 1 . PRO 56 56 19171 1 . GLU 57 57 19171 1 . GLU 58 58 19171 1 . ASP 59 59 19171 1 . LYS 60 60 19171 1 . GLU 61 61 19171 1 . GLU 62 62 19171 1 . ASN 63 63 19171 1 . LYS 64 64 19171 1 . ASP 65 65 19171 1 . ASP 66 66 19171 1 . SER 67 67 19171 1 . ALA 68 68 19171 1 . SER 69 69 19171 1 . LYS 70 70 19171 1 . LEU 71 71 19171 1 . ALA 72 72 19171 1 . PRO 73 73 19171 1 . GLU 74 74 19171 1 . GLU 75 75 19171 1 . GLU 76 76 19171 1 . ALA 77 77 19171 1 . GLY 78 78 19171 1 . GLY 79 79 19171 1 . ALA 80 80 19171 1 . GLY 81 81 19171 1 . THR 82 82 19171 1 . PRO 83 83 19171 1 . VAL 84 84 19171 1 . ILE 85 85 19171 1 . THR 86 86 19171 1 . GLU 87 87 19171 1 . ILE 88 88 19171 1 . PHE 89 89 19171 1 . SER 90 90 19171 1 . LEU 91 91 19171 1 . GLY 92 92 19171 1 . GLY 93 93 19171 1 . THR 94 94 19171 1 . ARG 95 95 19171 1 . PHE 96 96 19171 1 . ARG 97 97 19171 1 . ASP 98 98 19171 1 . THR 99 99 19171 1 . ALA 100 100 19171 1 . VAL 101 101 19171 1 . TRP 102 102 19171 1 . LEU 103 103 19171 1 . PRO 104 104 19171 1 . ARG 105 105 19171 1 . SER 106 106 19171 1 . LYS 107 107 19171 1 . ASP 108 108 19171 1 . LEU 109 109 19171 1 . LYS 110 110 19171 1 . LYS 111 111 19171 1 . PRO 112 112 19171 1 . GLY 113 113 19171 1 . ALA 114 114 19171 1 . ARG 115 115 19171 1 . LYS 116 116 19171 1 . GLN 117 117 19171 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 19171 _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 $TRD_of_MBD1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19171 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 19171 _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 $TRD_of_MBD1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET32a . . . 'pET32a modified vector with an N-terminal His6x-tag-MBD1(TRD)' . . 19171 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19171 _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 'TRD of MBD1' '[U-99% 13C; U-99% 15N]' . . 1 $TRD_of_MBD1 . . 1 . . mM . . . . 19171 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19171 1 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 19171 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19171 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19171 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 19171 _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' 0.02 . M 19171 1 pH 6.5 . pH 19171 1 pressure 1 . atm 19171 1 temperature 298 . K 19171 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRspy _Software.Sf_category software _Software.Sf_framecode NMRspy _Software.Entry_ID 19171 _Software.ID 1 _Software.Name NMRspy _Software.Version . _Software.Details In-House loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Daiwen' ; Department of Biological Sciences National University of Singapore 14 Science Drive 4 Singapore 117543 ; dbsydw@nus.edu.sg 19171 1 'Zheng Yu' . . 19171 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19171 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19171 _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, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19171 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19171 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19171 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19171 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19171 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 19171 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19171 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19171 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 19171 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19171 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19171 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19171 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19171 1 5 '3D MQ-(H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19171 1 6 '4D timeshared 13C/15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19171 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 19171 _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 . . . . . . . . . 19171 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19171 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19171 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 19171 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 3 '3D HN(CO)CA' . . . 19171 1 4 '3D HNCA' . . . 19171 1 5 '3D MQ-(H)CCH-TOCSY' . . . 19171 1 6 '4D timeshared 13C/15N NOESY' . . . 19171 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 9 9 SER H H 1 8.433 0.03 . 1 . . . . 9 SER H . 19171 1 2 . 1 1 9 9 SER HA H 1 4.415 0.03 . 1 . . . . 9 SER HA . 19171 1 3 . 1 1 9 9 SER HB3 H 1 3.922 0.03 . 1 . . . . 9 SER HB3 . 19171 1 4 . 1 1 9 9 SER CA C 13 58.756 0.3 . 1 . . . . 9 SER CA . 19171 1 5 . 1 1 9 9 SER CB C 13 67.006 0.3 . 1 . . . . 9 SER CB . 19171 1 6 . 1 1 9 9 SER N N 15 117.925 0.3 . 1 . . . . 9 SER N . 19171 1 7 . 1 1 10 10 GLY H H 1 8.352 0.03 . 1 . . . . 10 GLY H . 19171 1 8 . 1 1 10 10 GLY HA3 H 1 4.047 0.03 . 1 . . . . 10 GLY HA3 . 19171 1 9 . 1 1 10 10 GLY CA C 13 45.693 0.3 . 1 . . . . 10 GLY CA . 19171 1 10 . 1 1 10 10 GLY N N 15 110.465 0.3 . 1 . . . . 10 GLY N . 19171 1 11 . 1 1 11 11 LEU H H 1 8.009 0.03 . 1 . . . . 11 LEU H . 19171 1 12 . 1 1 11 11 LEU HA H 1 4.310 0.03 . 1 . . . . 11 LEU HA . 19171 1 13 . 1 1 11 11 LEU HB3 H 1 1.540 0.03 . 1 . . . . 11 LEU HB3 . 19171 1 14 . 1 1 11 11 LEU HG H 1 1.471 0.03 . 1 . . . . 11 LEU HG . 19171 1 15 . 1 1 11 11 LEU HD11 H 1 0.793 0.03 . 1 . . . . 11 LEU MD1 . 19171 1 16 . 1 1 11 11 LEU HD12 H 1 0.793 0.03 . 1 . . . . 11 LEU MD1 . 19171 1 17 . 1 1 11 11 LEU HD13 H 1 0.793 0.03 . 1 . . . . 11 LEU MD1 . 19171 1 18 . 1 1 11 11 LEU CA C 13 55.318 0.3 . 1 . . . . 11 LEU CA . 19171 1 19 . 1 1 11 11 LEU CB C 13 42.256 0.3 . 1 . . . . 11 LEU CB . 19171 1 20 . 1 1 11 11 LEU CG C 13 27.130 0.3 . 1 . . . . 11 LEU CG . 19171 1 21 . 1 1 11 11 LEU CD1 C 13 23.693 0.3 . 1 . . . . 11 LEU CD1 . 19171 1 22 . 1 1 11 11 LEU N N 15 121.412 0.3 . 1 . . . . 11 LEU N . 19171 1 23 . 1 1 12 12 VAL H H 1 8.017 0.03 . 1 . . . . 12 VAL H . 19171 1 24 . 1 1 12 12 VAL HA H 1 4.331 0.03 . 1 . . . . 12 VAL HA . 19171 1 25 . 1 1 12 12 VAL HB H 1 1.988 0.03 . 1 . . . . 12 VAL HB . 19171 1 26 . 1 1 12 12 VAL HG21 H 1 0.846 0.03 . 1 . . . . 12 VAL MG2 . 19171 1 27 . 1 1 12 12 VAL HG22 H 1 0.846 0.03 . 1 . . . . 12 VAL MG2 . 19171 1 28 . 1 1 12 12 VAL HG23 H 1 0.846 0.03 . 1 . . . . 12 VAL MG2 . 19171 1 29 . 1 1 12 12 VAL CA C 13 59.443 0.3 . 1 . . . . 12 VAL CA . 19171 1 30 . 1 1 12 12 VAL CB C 13 32.630 0.3 . 1 . . . . 12 VAL CB . 19171 1 31 . 1 1 12 12 VAL CG2 C 13 20.256 0.3 . 1 . . . . 12 VAL CG2 . 19171 1 32 . 1 1 12 12 VAL N N 15 122.047 0.3 . 1 . . . . 12 VAL N . 19171 1 33 . 1 1 15 15 GLY H H 1 8.573 0.03 . 1 . . . . 15 GLY H . 19171 1 34 . 1 1 15 15 GLY HA2 H 1 3.933 0.03 . 1 . . . . 15 GLY HA2 . 19171 1 35 . 1 1 15 15 GLY HA3 H 1 3.979 0.03 . 1 . . . . 15 GLY HA3 . 19171 1 36 . 1 1 15 15 GLY CA C 13 46.380 0.3 . 1 . . . . 15 GLY CA . 19171 1 37 . 1 1 15 15 GLY N N 15 110.939 0.3 . 1 . . . . 15 GLY N . 19171 1 38 . 1 1 16 16 SER H H 1 8.230 0.03 . 1 . . . . 16 SER H . 19171 1 39 . 1 1 16 16 SER HA H 1 4.408 0.03 . 1 . . . . 16 SER HA . 19171 1 40 . 1 1 16 16 SER HB3 H 1 3.807 0.03 . 1 . . . . 16 SER HB3 . 19171 1 41 . 1 1 16 16 SER CA C 13 58.756 0.3 . 1 . . . . 16 SER CA . 19171 1 42 . 1 1 16 16 SER CB C 13 64.256 0.3 . 1 . . . . 16 SER CB . 19171 1 43 . 1 1 16 16 SER N N 15 115.867 0.3 . 1 . . . . 16 SER N . 19171 1 44 . 1 1 17 17 GLU H H 1 8.734 0.03 . 1 . . . . 17 GLU H . 19171 1 45 . 1 1 17 17 GLU HA H 1 4.139 0.03 . 1 . . . . 17 GLU HA . 19171 1 46 . 1 1 17 17 GLU HB2 H 1 1.742 0.03 . 1 . . . . 17 GLU HB2 . 19171 1 47 . 1 1 17 17 GLU HG2 H 1 1.938 0.03 . 1 . . . . 17 GLU HG2 . 19171 1 48 . 1 1 17 17 GLU CA C 13 57.381 0.3 . 1 . . . . 17 GLU CA . 19171 1 49 . 1 1 17 17 GLU CB C 13 29.880 0.3 . 1 . . . . 17 GLU CB . 19171 1 50 . 1 1 17 17 GLU CG C 13 36.068 0.3 . 1 . . . . 17 GLU CG . 19171 1 51 . 1 1 17 17 GLU N N 15 122.386 0.3 . 1 . . . . 17 GLU N . 19171 1 52 . 1 1 18 18 PHE H H 1 7.994 0.03 . 1 . . . . 18 PHE H . 19171 1 53 . 1 1 18 18 PHE HA H 1 4.562 0.03 . 1 . . . . 18 PHE HA . 19171 1 54 . 1 1 18 18 PHE HB2 H 1 3.180 0.03 . 1 . . . . 18 PHE HB2 . 19171 1 55 . 1 1 18 18 PHE HB3 H 1 2.861 0.03 . 1 . . . . 18 PHE HB3 . 19171 1 56 . 1 1 18 18 PHE CA C 13 57.381 0.3 . 1 . . . . 18 PHE CA . 19171 1 57 . 1 1 18 18 PHE CB C 13 39.506 0.3 . 1 . . . . 18 PHE CB . 19171 1 58 . 1 1 18 18 PHE N N 15 119.049 0.3 . 1 . . . . 18 PHE N . 19171 1 59 . 1 1 19 19 ASP H H 1 8.048 0.03 . 1 . . . . 19 ASP H . 19171 1 60 . 1 1 19 19 ASP HA H 1 4.549 0.03 . 1 . . . . 19 ASP HA . 19171 1 61 . 1 1 19 19 ASP HB3 H 1 2.572 0.03 . 1 . . . . 19 ASP HB3 . 19171 1 62 . 1 1 19 19 ASP CA C 13 54.630 0.3 . 1 . . . . 19 ASP CA . 19171 1 63 . 1 1 19 19 ASP CB C 13 41.568 0.3 . 1 . . . . 19 ASP CB . 19171 1 64 . 1 1 19 19 ASP N N 15 121.522 0.3 . 1 . . . . 19 ASP N . 19171 1 65 . 1 1 20 20 GLU H H 1 8.188 0.03 . 1 . . . . 20 GLU H . 19171 1 66 . 1 1 20 20 GLU HA H 1 4.221 0.03 . 1 . . . . 20 GLU HA . 19171 1 67 . 1 1 20 20 GLU HB3 H 1 1.812 0.03 . 1 . . . . 20 GLU HB3 . 19171 1 68 . 1 1 20 20 GLU HG2 H 1 2.086 0.03 . 1 . . . . 20 GLU HG2 . 19171 1 69 . 1 1 20 20 GLU HG3 H 1 2.394 0.03 . 1 . . . . 20 GLU HG3 . 19171 1 70 . 1 1 20 20 GLU CA C 13 56.693 0.3 . 1 . . . . 20 GLU CA . 19171 1 71 . 1 1 20 20 GLU CB C 13 29.880 0.3 . 1 . . . . 20 GLU CB . 19171 1 72 . 1 1 20 20 GLU CG C 13 36.068 0.3 . 1 . . . . 20 GLU CG . 19171 1 73 . 1 1 20 20 GLU N N 15 120.628 0.3 . 1 . . . . 20 GLU N . 19171 1 74 . 1 1 21 21 TRP H H 1 8.207 0.03 . 1 . . . . 21 TRP H . 19171 1 75 . 1 1 21 21 TRP HA H 1 4.545 0.03 . 1 . . . . 21 TRP HA . 19171 1 76 . 1 1 21 21 TRP HB3 H 1 3.162 0.03 . 1 . . . . 21 TRP HB3 . 19171 1 77 . 1 1 21 21 TRP HE1 H 1 9.963 0.03 . 1 . . . . 21 TRP HE1 . 19171 1 78 . 1 1 21 21 TRP CA C 13 58.068 0.3 . 1 . . . . 21 TRP CA . 19171 1 79 . 1 1 21 21 TRP CB C 13 29.880 0.3 . 1 . . . . 21 TRP CB . 19171 1 80 . 1 1 21 21 TRP N N 15 122.535 0.3 . 1 . . . . 21 TRP N . 19171 1 81 . 1 1 21 21 TRP NE1 N 15 130.169 0.3 . 1 . . . . 21 TRP NE1 . 19171 1 82 . 1 1 22 22 THR H H 1 7.681 0.03 . 1 . . . . 22 THR H . 19171 1 83 . 1 1 22 22 THR HA H 1 4.404 0.03 . 1 . . . . 22 THR HA . 19171 1 84 . 1 1 22 22 THR HB H 1 3.968 0.03 . 1 . . . . 22 THR HB . 19171 1 85 . 1 1 22 22 THR HG21 H 1 1.053 0.03 . 1 . . . . 22 THR HG1 . 19171 1 86 . 1 1 22 22 THR HG22 H 1 1.053 0.03 . 1 . . . . 22 THR HG1 . 19171 1 87 . 1 1 22 22 THR HG23 H 1 1.053 0.03 . 1 . . . . 22 THR HG1 . 19171 1 88 . 1 1 22 22 THR CA C 13 59.443 0.3 . 1 . . . . 22 THR CA . 19171 1 89 . 1 1 22 22 THR CB C 13 69.755 0.3 . 1 . . . . 22 THR CB . 19171 1 90 . 1 1 22 22 THR CG2 C 13 21.631 0.3 . 1 . . . . 22 THR CG2 . 19171 1 91 . 1 1 22 22 THR N N 15 119.211 0.3 . 1 . . . . 22 THR N . 19171 1 92 . 1 1 23 23 PRO HA H 1 4.086 0.03 . 1 . . . . 23 PRO HA . 19171 1 93 . 1 1 23 23 PRO HB2 H 1 1.860 0.03 . 1 . . . . 23 PRO HB2 . 19171 1 94 . 1 1 23 23 PRO HB3 H 1 2.215 0.03 . 1 . . . . 23 PRO HB3 . 19171 1 95 . 1 1 23 23 PRO HD2 H 1 3.458 0.03 . 1 . . . . 23 PRO HD2 . 19171 1 96 . 1 1 23 23 PRO CA C 13 63.568 0.3 . 1 . . . . 23 PRO CA . 19171 1 97 . 1 1 23 23 PRO CB C 13 31.943 0.3 . 1 . . . . 23 PRO CB . 19171 1 98 . 1 1 23 23 PRO CD C 13 50.505 0.3 . 1 . . . . 23 PRO CD . 19171 1 99 . 1 1 24 24 GLY H H 1 8.310 0.03 . 1 . . . . 24 GLY H . 19171 1 100 . 1 1 24 24 GLY HA3 H 1 3.919 0.03 . 1 . . . . 24 GLY HA3 . 19171 1 101 . 1 1 24 24 GLY CA C 13 45.006 0.3 . 1 . . . . 24 GLY CA . 19171 1 102 . 1 1 24 24 GLY N N 15 108.811 0.3 . 1 . . . . 24 GLY N . 19171 1 103 . 1 1 25 25 THR H H 1 7.839 0.03 . 1 . . . . 25 THR H . 19171 1 104 . 1 1 25 25 THR HA H 1 4.221 0.03 . 1 . . . . 25 THR HA . 19171 1 105 . 1 1 25 25 THR HB H 1 4.149 0.03 . 1 . . . . 25 THR HB . 19171 1 106 . 1 1 25 25 THR HG21 H 1 1.106 0.03 . 1 . . . . 25 THR HG1 . 19171 1 107 . 1 1 25 25 THR HG22 H 1 1.106 0.03 . 1 . . . . 25 THR HG1 . 19171 1 108 . 1 1 25 25 THR HG23 H 1 1.106 0.03 . 1 . . . . 25 THR HG1 . 19171 1 109 . 1 1 25 25 THR CA C 13 62.193 0.3 . 1 . . . . 25 THR CA . 19171 1 110 . 1 1 25 25 THR CB C 13 69.755 0.3 . 1 . . . . 25 THR CB . 19171 1 111 . 1 1 25 25 THR CG2 C 13 21.631 0.3 . 1 . . . . 25 THR CG2 . 19171 1 112 . 1 1 25 25 THR N N 15 113.503 0.3 . 1 . . . . 25 THR N . 19171 1 113 . 1 1 26 26 ALA H H 1 8.247 0.03 . 1 . . . . 26 ALA H . 19171 1 114 . 1 1 26 26 ALA HA H 1 4.275 0.03 . 1 . . . . 26 ALA HA . 19171 1 115 . 1 1 26 26 ALA HB1 H 1 1.279 0.03 . 1 . . . . 26 ALA MB . 19171 1 116 . 1 1 26 26 ALA HB2 H 1 1.279 0.03 . 1 . . . . 26 ALA MB . 19171 1 117 . 1 1 26 26 ALA HB3 H 1 1.279 0.03 . 1 . . . . 26 ALA MB . 19171 1 118 . 1 1 26 26 ALA CA C 13 52.568 0.3 . 1 . . . . 26 ALA CA . 19171 1 119 . 1 1 26 26 ALA CB C 13 19.568 0.3 . 1 . . . . 26 ALA CB . 19171 1 120 . 1 1 26 26 ALA N N 15 126.679 0.3 . 1 . . . . 26 ALA N . 19171 1 121 . 1 1 27 27 VAL H H 1 8.026 0.03 . 1 . . . . 27 VAL H . 19171 1 122 . 1 1 27 27 VAL HA H 1 4.044 0.03 . 1 . . . . 27 VAL HA . 19171 1 123 . 1 1 27 27 VAL HB H 1 2.001 0.03 . 1 . . . . 27 VAL HB . 19171 1 124 . 1 1 27 27 VAL HG21 H 1 0.872 0.03 . 1 . . . . 27 VAL MG2 . 19171 1 125 . 1 1 27 27 VAL HG22 H 1 0.872 0.03 . 1 . . . . 27 VAL MG2 . 19171 1 126 . 1 1 27 27 VAL HG23 H 1 0.872 0.03 . 1 . . . . 27 VAL MG2 . 19171 1 127 . 1 1 27 27 VAL CA C 13 62.193 0.3 . 1 . . . . 27 VAL CA . 19171 1 128 . 1 1 27 27 VAL CB C 13 32.630 0.3 . 1 . . . . 27 VAL CB . 19171 1 129 . 1 1 27 27 VAL CG2 C 13 20.943 0.3 . 1 . . . . 27 VAL CG2 . 19171 1 130 . 1 1 27 27 VAL N N 15 119.528 0.3 . 1 . . . . 27 VAL N . 19171 1 131 . 1 1 28 28 LEU H H 1 8.227 0.03 . 1 . . . . 28 LEU H . 19171 1 132 . 1 1 28 28 LEU HA H 1 4.373 0.03 . 1 . . . . 28 LEU HA . 19171 1 133 . 1 1 28 28 LEU HB3 H 1 1.543 0.03 . 1 . . . . 28 LEU HB3 . 19171 1 134 . 1 1 28 28 LEU HG H 1 1.518 0.03 . 1 . . . . 28 LEU HG . 19171 1 135 . 1 1 28 28 LEU HD11 H 1 0.846 0.03 . 1 . . . . 28 LEU MD1 . 19171 1 136 . 1 1 28 28 LEU HD12 H 1 0.846 0.03 . 1 . . . . 28 LEU MD1 . 19171 1 137 . 1 1 28 28 LEU HD13 H 1 0.846 0.03 . 1 . . . . 28 LEU MD1 . 19171 1 138 . 1 1 28 28 LEU CA C 13 54.630 0.3 . 1 . . . . 28 LEU CA . 19171 1 139 . 1 1 28 28 LEU CB C 13 42.256 0.3 . 1 . . . . 28 LEU CB . 19171 1 140 . 1 1 28 28 LEU CG C 13 27.130 0.3 . 1 . . . . 28 LEU CG . 19171 1 141 . 1 1 28 28 LEU CD1 C 13 25.048 0.3 . 1 . . . . 28 LEU CD1 . 19171 1 142 . 1 1 28 28 LEU N N 15 126.588 0.3 . 1 . . . . 28 LEU N . 19171 1 143 . 1 1 29 29 THR H H 1 8.057 0.03 . 1 . . . . 29 THR H . 19171 1 144 . 1 1 29 29 THR HA H 1 4.322 0.03 . 1 . . . . 29 THR HA . 19171 1 145 . 1 1 29 29 THR HB H 1 4.150 0.03 . 1 . . . . 29 THR HB . 19171 1 146 . 1 1 29 29 THR HG21 H 1 1.133 0.03 . 1 . . . . 29 THR HG1 . 19171 1 147 . 1 1 29 29 THR HG22 H 1 1.133 0.03 . 1 . . . . 29 THR HG1 . 19171 1 148 . 1 1 29 29 THR HG23 H 1 1.133 0.03 . 1 . . . . 29 THR HG1 . 19171 1 149 . 1 1 29 29 THR CA C 13 61.506 0.3 . 1 . . . . 29 THR CA . 19171 1 150 . 1 1 29 29 THR CB C 13 69.755 0.3 . 1 . . . . 29 THR CB . 19171 1 151 . 1 1 29 29 THR CG2 C 13 21.632 0.3 . 1 . . . . 29 THR CG2 . 19171 1 152 . 1 1 29 29 THR N N 15 114.765 0.3 . 1 . . . . 29 THR N . 19171 1 153 . 1 1 30 30 SER H H 1 8.191 0.03 . 1 . . . . 30 SER H . 19171 1 154 . 1 1 30 30 SER HA H 1 4.731 0.03 . 1 . . . . 30 SER HA . 19171 1 155 . 1 1 30 30 SER HB3 H 1 3.809 0.03 . 1 . . . . 30 SER HB3 . 19171 1 156 . 1 1 30 30 SER CA C 13 56.693 0.3 . 1 . . . . 30 SER CA . 19171 1 157 . 1 1 30 30 SER CB C 13 63.568 0.3 . 1 . . . . 30 SER CB . 19171 1 158 . 1 1 30 30 SER N N 15 119.172 0.3 . 1 . . . . 30 SER N . 19171 1 159 . 1 1 31 31 PRO HA H 1 4.392 0.03 . 1 . . . . 31 PRO HA . 19171 1 160 . 1 1 31 31 PRO HB2 H 1 1.856 0.03 . 1 . . . . 31 PRO HB2 . 19171 1 161 . 1 1 31 31 PRO HB3 H 1 2.223 0.03 . 1 . . . . 31 PRO HB3 . 19171 1 162 . 1 1 31 31 PRO HG3 H 1 1.934 0.03 . 1 . . . . 31 PRO HG3 . 19171 1 163 . 1 1 31 31 PRO CA C 13 63.568 0.3 . 1 . . . . 31 PRO CA . 19171 1 164 . 1 1 31 31 PRO CB C 13 31.943 0.3 . 1 . . . . 31 PRO CB . 19171 1 165 . 1 1 31 31 PRO CG C 13 27.130 0.3 . 1 . . . . 31 PRO CG . 19171 1 166 . 1 1 32 32 VAL H H 1 8.084 0.03 . 1 . . . . 32 VAL H . 19171 1 167 . 1 1 32 32 VAL HA H 1 4.006 0.03 . 1 . . . . 32 VAL HA . 19171 1 168 . 1 1 32 32 VAL HB H 1 1.980 0.03 . 1 . . . . 32 VAL HB . 19171 1 169 . 1 1 32 32 VAL HG21 H 1 0.876 0.03 . 1 . . . . 32 VAL MG2 . 19171 1 170 . 1 1 32 32 VAL HG22 H 1 0.876 0.03 . 1 . . . . 32 VAL MG2 . 19171 1 171 . 1 1 32 32 VAL HG23 H 1 0.876 0.03 . 1 . . . . 32 VAL MG2 . 19171 1 172 . 1 1 32 32 VAL CA C 13 62.193 0.3 . 1 . . . . 32 VAL CA . 19171 1 173 . 1 1 32 32 VAL CB C 13 32.630 0.3 . 1 . . . . 32 VAL CB . 19171 1 174 . 1 1 32 32 VAL CG2 C 13 20.943 0.3 . 1 . . . . 32 VAL CG2 . 19171 1 175 . 1 1 32 32 VAL N N 15 120.191 0.3 . 1 . . . . 32 VAL N . 19171 1 176 . 1 1 33 33 LEU H H 1 8.276 0.03 . 1 . . . . 33 LEU H . 19171 1 177 . 1 1 33 33 LEU HA H 1 4.235 0.053 . 1 . . . . 33 LEU HA . 19171 1 178 . 1 1 33 33 LEU HB3 H 1 1.542 0.03 . 1 . . . . 33 LEU HB3 . 19171 1 179 . 1 1 33 33 LEU HG H 1 1.366 0.03 . 1 . . . . 33 LEU HG . 19171 1 180 . 1 1 33 33 LEU HD21 H 1 0.816 0.03 . 1 . . . . 33 LEU MD2 . 19171 1 181 . 1 1 33 33 LEU HD22 H 1 0.816 0.03 . 1 . . . . 33 LEU MD2 . 19171 1 182 . 1 1 33 33 LEU HD23 H 1 0.816 0.03 . 1 . . . . 33 LEU MD2 . 19171 1 183 . 1 1 33 33 LEU CA C 13 55.005 0.3 . 1 . . . . 33 LEU CA . 19171 1 184 . 1 1 33 33 LEU CB C 13 42.256 0.3 . 1 . . . . 33 LEU CB . 19171 1 185 . 1 1 33 33 LEU CG C 13 24.380 0.3 . 1 . . . . 33 LEU CG . 19171 1 186 . 1 1 33 33 LEU CD2 C 13 24.380 0.3 . 1 . . . . 33 LEU CD2 . 19171 1 187 . 1 1 33 33 LEU N N 15 125.973 0.3 . 1 . . . . 33 LEU N . 19171 1 188 . 1 1 34 34 VAL H H 1 8.165 0.03 . 1 . . . . 34 VAL H . 19171 1 189 . 1 1 34 34 VAL HA H 1 4.372 0.03 . 1 . . . . 34 VAL HA . 19171 1 190 . 1 1 34 34 VAL HB H 1 1.714 0.03 . 1 . . . . 34 VAL HB . 19171 1 191 . 1 1 34 34 VAL HG21 H 1 0.869 0.03 . 1 . . . . 34 VAL MG2 . 19171 1 192 . 1 1 34 34 VAL HG22 H 1 0.869 0.03 . 1 . . . . 34 VAL MG2 . 19171 1 193 . 1 1 34 34 VAL HG23 H 1 0.869 0.03 . 1 . . . . 34 VAL MG2 . 19171 1 194 . 1 1 34 34 VAL CA C 13 59.443 0.3 . 1 . . . . 34 VAL CA . 19171 1 195 . 1 1 34 34 VAL CB C 13 32.630 0.3 . 1 . . . . 34 VAL CB . 19171 1 196 . 1 1 34 34 VAL CG2 C 13 20.943 0.3 . 1 . . . . 34 VAL CG2 . 19171 1 197 . 1 1 34 34 VAL N N 15 123.488 0.3 . 1 . . . . 34 VAL N . 19171 1 198 . 1 1 35 35 PRO HA H 1 4.370 0.03 . 1 . . . . 35 PRO HA . 19171 1 199 . 1 1 35 35 PRO HB2 H 1 2.234 0.03 . 1 . . . . 35 PRO HB2 . 19171 1 200 . 1 1 35 35 PRO HB3 H 1 1.951 0.03 . 1 . . . . 35 PRO HB3 . 19171 1 201 . 1 1 35 35 PRO HG3 H 1 1.976 0.03 . 1 . . . . 35 PRO HG3 . 19171 1 202 . 1 1 35 35 PRO HD3 H 1 3.835 0.03 . 1 . . . . 35 PRO HD3 . 19171 1 203 . 1 1 35 35 PRO CA C 13 63.568 0.3 . 1 . . . . 35 PRO CA . 19171 1 204 . 1 1 35 35 PRO CB C 13 31.943 0.3 . 1 . . . . 35 PRO CB . 19171 1 205 . 1 1 35 35 PRO CG C 13 27.130 0.3 . 1 . . . . 35 PRO CG . 19171 1 206 . 1 1 35 35 PRO CD C 13 50.505 0.3 . 1 . . . . 35 PRO CD . 19171 1 207 . 1 1 36 36 GLY H H 1 8.446 0.03 . 1 . . . . 36 GLY H . 19171 1 208 . 1 1 36 36 GLY HA2 H 1 3.916 0.03 . 1 . . . . 36 GLY HA2 . 19171 1 209 . 1 1 36 36 GLY HA3 H 1 3.824 0.03 . 1 . . . . 36 GLY HA3 . 19171 1 210 . 1 1 36 36 GLY CA C 13 45.006 0.3 . 1 . . . . 36 GLY CA . 19171 1 211 . 1 1 36 36 GLY N N 15 110.041 0.3 . 1 . . . . 36 GLY N . 19171 1 212 . 1 1 38 38 PRO HA H 1 4.397 0.03 . 1 . . . . 38 PRO HA . 19171 1 213 . 1 1 38 38 PRO HB2 H 1 1.876 0.03 . 1 . . . . 38 PRO HB2 . 19171 1 214 . 1 1 38 38 PRO HB3 H 1 2.264 0.03 . 1 . . . . 38 PRO HB3 . 19171 1 215 . 1 1 38 38 PRO HG3 H 1 1.984 0.03 . 1 . . . . 38 PRO HG3 . 19171 1 216 . 1 1 38 38 PRO CA C 13 63.568 0.3 . 1 . . . . 38 PRO CA . 19171 1 217 . 1 1 38 38 PRO CB C 13 31.943 0.3 . 1 . . . . 38 PRO CB . 19171 1 218 . 1 1 38 38 PRO CG C 13 27.130 0.3 . 1 . . . . 38 PRO CG . 19171 1 219 . 1 1 39 39 SER H H 1 8.318 0.03 . 1 . . . . 39 SER H . 19171 1 220 . 1 1 39 39 SER HA H 1 4.424 0.03 . 1 . . . . 39 SER HA . 19171 1 221 . 1 1 39 39 SER HB3 H 1 3.799 0.03 . 1 . . . . 39 SER HB3 . 19171 1 222 . 1 1 39 39 SER CA C 13 58.068 0.3 . 1 . . . . 39 SER CA . 19171 1 223 . 1 1 39 39 SER CB C 13 64.256 0.3 . 1 . . . . 39 SER CB . 19171 1 224 . 1 1 39 39 SER N N 15 116.043 0.3 . 1 . . . . 39 SER N . 19171 1 225 . 1 1 40 40 LYS H H 1 8.231 0.03 . 1 . . . . 40 LYS H . 19171 1 226 . 1 1 40 40 LYS HA H 1 4.240 0.03 . 1 . . . . 40 LYS HA . 19171 1 227 . 1 1 40 40 LYS CA C 13 56.525 0.3 . 1 . . . . 40 LYS CA . 19171 1 228 . 1 1 40 40 LYS N N 15 123.275 0.3 . 1 . . . . 40 LYS N . 19171 1 229 . 1 1 41 41 ALA H H 1 8.240 0.03 . 1 . . . . 41 ALA H . 19171 1 230 . 1 1 41 41 ALA HA H 1 4.266 0.03 . 1 . . . . 41 ALA HA . 19171 1 231 . 1 1 41 41 ALA HB1 H 1 1.276 0.03 . 1 . . . . 41 ALA MB . 19171 1 232 . 1 1 41 41 ALA HB2 H 1 1.276 0.03 . 1 . . . . 41 ALA MB . 19171 1 233 . 1 1 41 41 ALA HB3 H 1 1.276 0.03 . 1 . . . . 41 ALA MB . 19171 1 234 . 1 1 41 41 ALA CA C 13 52.568 0.3 . 1 . . . . 41 ALA CA . 19171 1 235 . 1 1 41 41 ALA CB C 13 19.568 0.3 . 1 . . . . 41 ALA CB . 19171 1 236 . 1 1 41 41 ALA N N 15 125.719 0.3 . 1 . . . . 41 ALA N . 19171 1 237 . 1 1 42 42 VAL H H 1 8.050 0.03 . 1 . . . . 42 VAL H . 19171 1 238 . 1 1 42 42 VAL HA H 1 4.047 0.03 . 1 . . . . 42 VAL HA . 19171 1 239 . 1 1 42 42 VAL CA C 13 62.292 0.3 . 1 . . . . 42 VAL CA . 19171 1 240 . 1 1 42 42 VAL N N 15 119.502 0.3 . 1 . . . . 42 VAL N . 19171 1 241 . 1 1 44 44 PRO HA H 1 4.370 0.03 . 1 . . . . 44 PRO HA . 19171 1 242 . 1 1 44 44 PRO HB2 H 1 2.234 0.03 . 1 . . . . 44 PRO HB2 . 19171 1 243 . 1 1 44 44 PRO HB3 H 1 1.951 0.03 . 1 . . . . 44 PRO HB3 . 19171 1 244 . 1 1 44 44 PRO HG3 H 1 1.976 0.03 . 1 . . . . 44 PRO HG3 . 19171 1 245 . 1 1 44 44 PRO HD3 H 1 3.835 0.03 . 1 . . . . 44 PRO HD3 . 19171 1 246 . 1 1 44 44 PRO CA C 13 63.568 0.3 . 1 . . . . 44 PRO CA . 19171 1 247 . 1 1 44 44 PRO CB C 13 31.943 0.3 . 1 . . . . 44 PRO CB . 19171 1 248 . 1 1 44 44 PRO CG C 13 27.130 0.3 . 1 . . . . 44 PRO CG . 19171 1 249 . 1 1 44 44 PRO CD C 13 50.505 0.3 . 1 . . . . 44 PRO CD . 19171 1 250 . 1 1 45 45 GLY H H 1 8.457 0.03 . 1 . . . . 45 GLY H . 19171 1 251 . 1 1 45 45 GLY HA2 H 1 3.914 0.03 . 1 . . . . 45 GLY HA2 . 19171 1 252 . 1 1 45 45 GLY HA3 H 1 3.824 0.03 . 1 . . . . 45 GLY HA3 . 19171 1 253 . 1 1 45 45 GLY CA C 13 45.006 0.3 . 1 . . . . 45 GLY CA . 19171 1 254 . 1 1 45 45 GLY N N 15 108.216 0.3 . 1 . . . . 45 GLY N . 19171 1 255 . 1 1 46 46 LEU H H 1 7.840 0.03 . 1 . . . . 46 LEU H . 19171 1 256 . 1 1 46 46 LEU HA H 1 4.582 0.03 . 1 . . . . 46 LEU HA . 19171 1 257 . 1 1 46 46 LEU HB3 H 1 1.587 0.03 . 1 . . . . 46 LEU HB3 . 19171 1 258 . 1 1 46 46 LEU HG H 1 1.596 0.03 . 1 . . . . 46 LEU HG . 19171 1 259 . 1 1 46 46 LEU HD11 H 1 0.883 0.03 . 1 . . . . 46 LEU MD1 . 19171 1 260 . 1 1 46 46 LEU HD12 H 1 0.883 0.03 . 1 . . . . 46 LEU MD1 . 19171 1 261 . 1 1 46 46 LEU HD13 H 1 0.883 0.03 . 1 . . . . 46 LEU MD1 . 19171 1 262 . 1 1 46 46 LEU CA C 13 53.255 0.3 . 1 . . . . 46 LEU CA . 19171 1 263 . 1 1 46 46 LEU CB C 13 41.568 0.3 . 1 . . . . 46 LEU CB . 19171 1 264 . 1 1 46 46 LEU CG C 13 27.130 0.3 . 1 . . . . 46 LEU CG . 19171 1 265 . 1 1 46 46 LEU CD1 C 13 25.068 0.3 . 1 . . . . 46 LEU CD1 . 19171 1 266 . 1 1 46 46 LEU N N 15 122.594 0.3 . 1 . . . . 46 LEU N . 19171 1 267 . 1 1 47 47 PRO HA H 1 4.497 0.03 . 1 . . . . 47 PRO HA . 19171 1 268 . 1 1 47 47 PRO HD3 H 1 3.831 0.03 . 1 . . . . 47 PRO HD3 . 19171 1 269 . 1 1 47 47 PRO CA C 13 62.881 0.3 . 1 . . . . 47 PRO CA . 19171 1 270 . 1 1 47 47 PRO CD C 13 50.505 0.3 . 1 . . . . 47 PRO CD . 19171 1 271 . 1 1 48 48 SER H H 1 8.572 0.03 . 1 . . . . 48 SER H . 19171 1 272 . 1 1 48 48 SER HA H 1 4.413 0.03 . 1 . . . . 48 SER HA . 19171 1 273 . 1 1 48 48 SER HB3 H 1 3.826 0.03 . 1 . . . . 48 SER HB3 . 19171 1 274 . 1 1 48 48 SER CA C 13 58.756 0.3 . 1 . . . . 48 SER CA . 19171 1 275 . 1 1 48 48 SER CB C 13 63.568 0.3 . 1 . . . . 48 SER CB . 19171 1 276 . 1 1 48 48 SER N N 15 116.870 0.3 . 1 . . . . 48 SER N . 19171 1 277 . 1 1 49 49 VAL H H 1 8.067 0.03 . 1 . . . . 49 VAL H . 19171 1 278 . 1 1 49 49 VAL HA H 1 4.094 0.03 . 1 . . . . 49 VAL HA . 19171 1 279 . 1 1 49 49 VAL HB H 1 2.041 0.03 . 1 . . . . 49 VAL HB . 19171 1 280 . 1 1 49 49 VAL HG21 H 1 0.864 0.03 . 1 . . . . 49 VAL MG2 . 19171 1 281 . 1 1 49 49 VAL HG22 H 1 0.864 0.03 . 1 . . . . 49 VAL MG2 . 19171 1 282 . 1 1 49 49 VAL HG23 H 1 0.864 0.03 . 1 . . . . 49 VAL MG2 . 19171 1 283 . 1 1 49 49 VAL CA C 13 62.193 0.3 . 1 . . . . 49 VAL CA . 19171 1 284 . 1 1 49 49 VAL CB C 13 32.630 0.3 . 1 . . . . 49 VAL CB . 19171 1 285 . 1 1 49 49 VAL CG2 C 13 20.943 0.3 . 1 . . . . 49 VAL CG2 . 19171 1 286 . 1 1 49 49 VAL N N 15 121.794 0.3 . 1 . . . . 49 VAL N . 19171 1 287 . 1 1 50 50 LYS H H 1 8.336 0.03 . 1 . . . . 50 LYS H . 19171 1 288 . 1 1 50 50 LYS HA H 1 4.281 0.03 . 1 . . . . 50 LYS HA . 19171 1 289 . 1 1 50 50 LYS HB3 H 1 1.710 0.03 . 1 . . . . 50 LYS HB3 . 19171 1 290 . 1 1 50 50 LYS HG3 H 1 1.320 0.03 . 1 . . . . 50 LYS HG3 . 19171 1 291 . 1 1 50 50 LYS HD3 H 1 1.6984 0.03 . 1 . . . . 50 LYS HD3 . 19171 1 292 . 1 1 50 50 LYS CA C 13 56.005 0.3 . 1 . . . . 50 LYS CA . 19171 1 293 . 1 1 50 50 LYS CB C 13 33.318 0.3 . 1 . . . . 50 LYS CB . 19171 1 294 . 1 1 50 50 LYS CG C 13 24.380 0.3 . 1 . . . . 50 LYS CG . 19171 1 295 . 1 1 50 50 LYS CD C 13 25.068 0.3 . 1 . . . . 50 LYS CD . 19171 1 296 . 1 1 50 50 LYS N N 15 125.516 0.3 . 1 . . . . 50 LYS N . 19171 1 297 . 1 1 51 51 GLN H H 1 8.421 0.03 . 1 . . . . 51 GLN H . 19171 1 298 . 1 1 51 51 GLN HA H 1 4.327 0.03 . 1 . . . . 51 GLN HA . 19171 1 299 . 1 1 51 51 GLN HB3 H 1 1.930 0.03 . 1 . . . . 51 GLN HB3 . 19171 1 300 . 1 1 51 51 GLN HG2 H 1 2.252 0.03 . 1 . . . . 51 GLN HG2 . 19171 1 301 . 1 1 51 51 GLN HG3 H 1 2.306 0.03 . 1 . . . . 51 GLN HG3 . 19171 1 302 . 1 1 51 51 GLN HE21 H 1 7.499 0.03 . 1 . . . . 51 GLN HE21 . 19171 1 303 . 1 1 51 51 GLN HE22 H 1 6.851 0.03 . 1 . . . . 51 GLN HE22 . 19171 1 304 . 1 1 51 51 GLN CA C 13 55.318 0.3 . 1 . . . . 51 GLN CA . 19171 1 305 . 1 1 51 51 GLN CB C 13 29.880 0.3 . 1 . . . . 51 GLN CB . 19171 1 306 . 1 1 51 51 GLN CG C 13 34.005 0.3 . 1 . . . . 51 GLN CG . 19171 1 307 . 1 1 51 51 GLN N N 15 122.985 0.3 . 1 . . . . 51 GLN N . 19171 1 308 . 1 1 51 51 GLN NE2 N 15 112.525 0.3 . 1 . . . . 51 GLN NE2 . 19171 1 309 . 1 1 52 52 GLU H H 1 8.440 0.03 . 1 . . . . 52 GLU H . 19171 1 310 . 1 1 52 52 GLU HA H 1 4.535 0.03 . 1 . . . . 52 GLU HA . 19171 1 311 . 1 1 52 52 GLU HB2 H 1 1.799 0.03 . 1 . . . . 52 GLU HB2 . 19171 1 312 . 1 1 52 52 GLU HB3 H 1 1.991 0.03 . 1 . . . . 52 GLU HB3 . 19171 1 313 . 1 1 52 52 GLU HG3 H 1 2.252 0.03 . 1 . . . . 52 GLU HG3 . 19171 1 314 . 1 1 52 52 GLU CA C 13 54.630 0.3 . 1 . . . . 52 GLU CA . 19171 1 315 . 1 1 52 52 GLU CB C 13 29.642 0.3 . 1 . . . . 52 GLU CB . 19171 1 316 . 1 1 52 52 GLU CG C 13 36.068 0.3 . 1 . . . . 52 GLU CG . 19171 1 317 . 1 1 52 52 GLU N N 15 124.305 0.3 . 1 . . . . 52 GLU N . 19171 1 318 . 1 1 53 53 PRO HD3 H 1 3.722 0.03 . 1 . . . . 53 PRO HD3 . 19171 1 319 . 1 1 53 53 PRO CD C 13 50.505 0.3 . 1 . . . . 53 PRO CD . 19171 1 320 . 1 1 54 54 PRO HA H 1 4.067 0.03 . 1 . . . . 54 PRO HA . 19171 1 321 . 1 1 54 54 PRO CA C 13 62.152 0.3 . 1 . . . . 54 PRO CA . 19171 1 322 . 1 1 56 56 PRO HA H 1 4.365 0.03 . 1 . . . . 56 PRO HA . 19171 1 323 . 1 1 56 56 PRO HB2 H 1 2.248 0.03 . 1 . . . . 56 PRO HB2 . 19171 1 324 . 1 1 56 56 PRO HB3 H 1 1.880 0.03 . 1 . . . . 56 PRO HB3 . 19171 1 325 . 1 1 56 56 PRO HG3 H 1 1.990 0.03 . 1 . . . . 56 PRO HG3 . 19171 1 326 . 1 1 56 56 PRO HD3 H 1 3.733 0.03 . 1 . . . . 56 PRO HD3 . 19171 1 327 . 1 1 56 56 PRO CA C 13 63.568 0.3 . 1 . . . . 56 PRO CA . 19171 1 328 . 1 1 56 56 PRO CB C 13 32.630 0.3 . 1 . . . . 56 PRO CB . 19171 1 329 . 1 1 56 56 PRO CG C 13 27.130 0.3 . 1 . . . . 56 PRO CG . 19171 1 330 . 1 1 56 56 PRO CD C 13 50.505 0.3 . 1 . . . . 56 PRO CD . 19171 1 331 . 1 1 57 57 GLU H H 1 8.471 0.03 . 1 . . . . 57 GLU H . 19171 1 332 . 1 1 57 57 GLU HA H 1 4.231 0.03 . 1 . . . . 57 GLU HA . 19171 1 333 . 1 1 57 57 GLU HB3 H 1 1.879 0.03 . 1 . . . . 57 GLU HB3 . 19171 1 334 . 1 1 57 57 GLU HG3 H 1 2.228 0.03 . 1 . . . . 57 GLU HG3 . 19171 1 335 . 1 1 57 57 GLU CA C 13 55.846 0.3 . 1 . . . . 57 GLU CA . 19171 1 336 . 1 1 57 57 GLU CB C 13 30.568 0.3 . 1 . . . . 57 GLU CB . 19171 1 337 . 1 1 57 57 GLU CG C 13 36.068 0.3 . 1 . . . . 57 GLU CG . 19171 1 338 . 1 1 57 57 GLU N N 15 120.064 0.3 . 1 . . . . 57 GLU N . 19171 1 339 . 1 1 58 58 GLU HA H 1 4.189 0.03 . 1 . . . . 58 GLU HA . 19171 1 340 . 1 1 58 58 GLU CA C 13 56.693 0.3 . 1 . . . . 58 GLU CA . 19171 1 341 . 1 1 59 59 ASP H H 1 8.337 0.03 . 1 . . . . 59 ASP H . 19171 1 342 . 1 1 59 59 ASP HA H 1 4.532 0.03 . 1 . . . . 59 ASP HA . 19171 1 343 . 1 1 59 59 ASP HB2 H 1 2.592 0.03 . 1 . . . . 59 ASP HB2 . 19171 1 344 . 1 1 59 59 ASP HB3 H 1 2.684 0.03 . 1 . . . . 59 ASP HB3 . 19171 1 345 . 1 1 59 59 ASP CA C 13 54.630 0.3 . 1 . . . . 59 ASP CA . 19171 1 346 . 1 1 59 59 ASP CB C 13 40.881 0.3 . 1 . . . . 59 ASP CB . 19171 1 347 . 1 1 59 59 ASP N N 15 121.649 0.3 . 1 . . . . 59 ASP N . 19171 1 348 . 1 1 60 60 LYS HA H 1 4.586 0.03 . 1 . . . . 60 LYS HA . 19171 1 349 . 1 1 60 60 LYS CA C 13 54.630 0.3 . 1 . . . . 60 LYS CA . 19171 1 350 . 1 1 61 61 GLU H H 1 8.300 0.03 . 1 . . . . 61 GLU H . 19171 1 351 . 1 1 61 61 GLU HA H 1 4.229 0.03 . 1 . . . . 61 GLU HA . 19171 1 352 . 1 1 61 61 GLU HB3 H 1 1.927 0.03 . 1 . . . . 61 GLU HB3 . 19171 1 353 . 1 1 61 61 GLU HG3 H 1 2.194 0.03 . 1 . . . . 61 GLU HG3 . 19171 1 354 . 1 1 61 61 GLU CA C 13 56.693 0.3 . 1 . . . . 61 GLU CA . 19171 1 355 . 1 1 61 61 GLU CB C 13 30.568 0.3 . 1 . . . . 61 GLU CB . 19171 1 356 . 1 1 61 61 GLU CG C 13 36.756 0.3 . 1 . . . . 61 GLU CG . 19171 1 357 . 1 1 61 61 GLU N N 15 121.972 0.3 . 1 . . . . 61 GLU N . 19171 1 358 . 1 1 62 62 GLU H H 1 8.429 0.03 . 1 . . . . 62 GLU H . 19171 1 359 . 1 1 62 62 GLU HA H 1 4.182 0.03 . 1 . . . . 62 GLU HA . 19171 1 360 . 1 1 62 62 GLU HB3 H 1 1.939 0.03 . 1 . . . . 62 GLU HB3 . 19171 1 361 . 1 1 62 62 GLU HG3 H 1 2.223 0.03 . 1 . . . . 62 GLU HG3 . 19171 1 362 . 1 1 62 62 GLU CA C 13 56.693 0.3 . 1 . . . . 62 GLU CA . 19171 1 363 . 1 1 62 62 GLU CB C 13 30.568 0.3 . 1 . . . . 62 GLU CB . 19171 1 364 . 1 1 62 62 GLU CG C 13 36.068 0.3 . 1 . . . . 62 GLU CG . 19171 1 365 . 1 1 62 62 GLU N N 15 121.903 0.3 . 1 . . . . 62 GLU N . 19171 1 366 . 1 1 63 63 ASN H H 1 8.471 0.03 . 1 . . . . 63 ASN H . 19171 1 367 . 1 1 63 63 ASN HA H 1 4.645 0.03 . 1 . . . . 63 ASN HA . 19171 1 368 . 1 1 63 63 ASN HB3 H 1 2.715 0.03 . 1 . . . . 63 ASN HB3 . 19171 1 369 . 1 1 63 63 ASN HD21 H 1 7.599 0.03 . 1 . . . . 63 ASN HD21 . 19171 1 370 . 1 1 63 63 ASN HD22 H 1 6.918 0.03 . 1 . . . . 63 ASN HD22 . 19171 1 371 . 1 1 63 63 ASN CA C 13 53.255 0.3 . 1 . . . . 63 ASN CA . 19171 1 372 . 1 1 63 63 ASN CB C 13 38.818 0.3 . 1 . . . . 63 ASN CB . 19171 1 373 . 1 1 63 63 ASN N N 15 120.064 0.3 . 1 . . . . 63 ASN N . 19171 1 374 . 1 1 63 63 ASN ND2 N 15 112.915 0.3 . 1 . . . . 63 ASN ND2 . 19171 1 375 . 1 1 64 64 LYS H H 1 8.273 0.03 . 1 . . . . 64 LYS H . 19171 1 376 . 1 1 64 64 LYS HA H 1 4.223 0.03 . 1 . . . . 64 LYS HA . 19171 1 377 . 1 1 64 64 LYS HB3 H 1 1.701 0.03 . 1 . . . . 64 LYS HB3 . 19171 1 378 . 1 1 64 64 LYS HG3 H 1 1.320 0.03 . 1 . . . . 64 LYS HG3 . 19171 1 379 . 1 1 64 64 LYS HE3 H 1 2.759 0.03 . 1 . . . . 64 LYS HE3 . 19171 1 380 . 1 1 64 64 LYS CA C 13 56.693 0.3 . 1 . . . . 64 LYS CA . 19171 1 381 . 1 1 64 64 LYS CB C 13 33.318 0.3 . 1 . . . . 64 LYS CB . 19171 1 382 . 1 1 64 64 LYS CG C 13 24.380 0.3 . 1 . . . . 64 LYS CG . 19171 1 383 . 1 1 64 64 LYS CE C 13 38.818 0.3 . 1 . . . . 64 LYS CE . 19171 1 384 . 1 1 64 64 LYS N N 15 122.349 0.3 . 1 . . . . 64 LYS N . 19171 1 385 . 1 1 65 65 ASP H H 1 8.321 0.03 . 1 . . . . 65 ASP H . 19171 1 386 . 1 1 65 65 ASP HA H 1 4.560 0.03 . 1 . . . . 65 ASP HA . 19171 1 387 . 1 1 65 65 ASP CA C 13 54.479 0.3 . 1 . . . . 65 ASP CA . 19171 1 388 . 1 1 65 65 ASP N N 15 121.309 0.3 . 1 . . . . 65 ASP N . 19171 1 389 . 1 1 66 66 ASP H H 1 8.315 0.03 . 1 . . . . 66 ASP H . 19171 1 390 . 1 1 66 66 ASP HA H 1 4.587 0.03 . 1 . . . . 66 ASP HA . 19171 1 391 . 1 1 66 66 ASP HB3 H 1 2.687 0.03 . 1 . . . . 66 ASP HB3 . 19171 1 392 . 1 1 66 66 ASP CA C 13 54.630 0.3 . 1 . . . . 66 ASP CA . 19171 1 393 . 1 1 66 66 ASP CB C 13 40.881 0.3 . 1 . . . . 66 ASP CB . 19171 1 394 . 1 1 66 66 ASP N N 15 122.282 0.3 . 1 . . . . 66 ASP N . 19171 1 395 . 1 1 67 67 SER H H 1 8.289 0.03 . 1 . . . . 67 SER H . 19171 1 396 . 1 1 67 67 SER HA H 1 4.281 0.03 . 1 . . . . 67 SER HA . 19171 1 397 . 1 1 67 67 SER HB3 H 1 3.868 0.03 . 1 . . . . 67 SER HB3 . 19171 1 398 . 1 1 67 67 SER CA C 13 59.443 0.3 . 1 . . . . 67 SER CA . 19171 1 399 . 1 1 67 67 SER CB C 13 63.568 0.3 . 1 . . . . 67 SER CB . 19171 1 400 . 1 1 67 67 SER N N 15 116.381 0.3 . 1 . . . . 67 SER N . 19171 1 401 . 1 1 68 68 ALA H H 1 8.189 0.03 . 1 . . . . 68 ALA H . 19171 1 402 . 1 1 68 68 ALA HA H 1 4.265 0.03 . 1 . . . . 68 ALA HA . 19171 1 403 . 1 1 68 68 ALA HB1 H 1 1.394 0.03 . 1 . . . . 68 ALA MB . 19171 1 404 . 1 1 68 68 ALA HB2 H 1 1.394 0.03 . 1 . . . . 68 ALA MB . 19171 1 405 . 1 1 68 68 ALA HB3 H 1 1.394 0.03 . 1 . . . . 68 ALA MB . 19171 1 406 . 1 1 68 68 ALA CA C 13 53.255 0.3 . 1 . . . . 68 ALA CA . 19171 1 407 . 1 1 68 68 ALA CB C 13 18.881 0.3 . 1 . . . . 68 ALA CB . 19171 1 408 . 1 1 68 68 ALA N N 15 125.113 0.3 . 1 . . . . 68 ALA N . 19171 1 409 . 1 1 69 69 SER H H 1 8.061 0.03 . 1 . . . . 69 SER H . 19171 1 410 . 1 1 69 69 SER HA H 1 4.324 0.03 . 1 . . . . 69 SER HA . 19171 1 411 . 1 1 69 69 SER HB2 H 1 3.820 0.03 . 1 . . . . 69 SER HB2 . 19171 1 412 . 1 1 69 69 SER HB3 H 1 3.866 0.03 . 1 . . . . 69 SER HB3 . 19171 1 413 . 1 1 69 69 SER CA C 13 58.756 0.3 . 1 . . . . 69 SER CA . 19171 1 414 . 1 1 69 69 SER CB C 13 63.568 0.3 . 1 . . . . 69 SER CB . 19171 1 415 . 1 1 69 69 SER N N 15 114.161 0.3 . 1 . . . . 69 SER N . 19171 1 416 . 1 1 70 70 LYS H H 1 8.045 0.03 . 1 . . . . 70 LYS H . 19171 1 417 . 1 1 70 70 LYS HA H 1 4.272 0.03 . 1 . . . . 70 LYS HA . 19171 1 418 . 1 1 70 70 LYS HB3 H 1 1.726 0.03 . 1 . . . . 70 LYS HB3 . 19171 1 419 . 1 1 70 70 LYS HG3 H 1 1.375 0.03 . 1 . . . . 70 LYS HG3 . 19171 1 420 . 1 1 70 70 LYS HD3 H 1 1.648 0.03 . 1 . . . . 70 LYS HD3 . 19171 1 421 . 1 1 70 70 LYS CA C 13 56.005 0.3 . 1 . . . . 70 LYS CA . 19171 1 422 . 1 1 70 70 LYS CB C 13 32.630 0.3 . 1 . . . . 70 LYS CB . 19171 1 423 . 1 1 70 70 LYS CG C 13 25.068 0.3 . 1 . . . . 70 LYS CG . 19171 1 424 . 1 1 70 70 LYS CD C 13 29.530 0.3 . 1 . . . . 70 LYS CD . 19171 1 425 . 1 1 70 70 LYS N N 15 122.781 0.3 . 1 . . . . 70 LYS N . 19171 1 426 . 1 1 71 71 LEU HA H 1 4.290 0.03 . 1 . . . . 71 LEU HA . 19171 1 427 . 1 1 71 71 LEU HB3 H 1 1.585 0.03 . 1 . . . . 71 LEU HB3 . 19171 1 428 . 1 1 71 71 LEU HG H 1 1.559 0.03 . 1 . . . . 71 LEU HG . 19171 1 429 . 1 1 71 71 LEU HD11 H 1 0.879 0.03 . 1 . . . . 71 LEU MD1 . 19171 1 430 . 1 1 71 71 LEU HD12 H 1 0.879 0.03 . 1 . . . . 71 LEU MD1 . 19171 1 431 . 1 1 71 71 LEU HD13 H 1 0.879 0.03 . 1 . . . . 71 LEU MD1 . 19171 1 432 . 1 1 71 71 LEU CA C 13 54.630 0.3 . 1 . . . . 71 LEU CA . 19171 1 433 . 1 1 71 71 LEU CB C 13 42.256 0.3 . 1 . . . . 71 LEU CB . 19171 1 434 . 1 1 71 71 LEU CG C 13 27.130 0.3 . 1 . . . . 71 LEU CG . 19171 1 435 . 1 1 71 71 LEU CD1 C 13 25.068 0.3 . 1 . . . . 71 LEU CD1 . 19171 1 436 . 1 1 72 72 ALA H H 1 8.281 0.03 . 1 . . . . 72 ALA H . 19171 1 437 . 1 1 72 72 ALA HA H 1 4.545 0.03 . 1 . . . . 72 ALA HA . 19171 1 438 . 1 1 72 72 ALA HB1 H 1 1.345 0.03 . 1 . . . . 72 ALA MB . 19171 1 439 . 1 1 72 72 ALA HB2 H 1 1.345 0.03 . 1 . . . . 72 ALA MB . 19171 1 440 . 1 1 72 72 ALA HB3 H 1 1.345 0.03 . 1 . . . . 72 ALA MB . 19171 1 441 . 1 1 72 72 ALA CA C 13 50.505 0.3 . 1 . . . . 72 ALA CA . 19171 1 442 . 1 1 72 72 ALA CB C 13 18.193 0.3 . 1 . . . . 72 ALA CB . 19171 1 443 . 1 1 72 72 ALA N N 15 126.217 0.3 . 1 . . . . 72 ALA N . 19171 1 444 . 1 1 73 73 PRO HA H 1 4.362 0.03 . 1 . . . . 73 PRO HA . 19171 1 445 . 1 1 73 73 PRO HB2 H 1 2.263 0.03 . 1 . . . . 73 PRO HB2 . 19171 1 446 . 1 1 73 73 PRO HB3 H 1 1.858 0.03 . 1 . . . . 73 PRO HB3 . 19171 1 447 . 1 1 73 73 PRO HG3 H 1 2.004 0.03 . 1 . . . . 73 PRO HG3 . 19171 1 448 . 1 1 73 73 PRO HD2 H 1 3.627 0.03 . 1 . . . . 73 PRO HD2 . 19171 1 449 . 1 1 73 73 PRO CA C 13 63.568 0.3 . 1 . . . . 73 PRO CA . 19171 1 450 . 1 1 73 73 PRO CB C 13 31.943 0.3 . 1 . . . . 73 PRO CB . 19171 1 451 . 1 1 73 73 PRO CG C 13 27.130 0.3 . 1 . . . . 73 PRO CG . 19171 1 452 . 1 1 73 73 PRO CD C 13 50.505 0.3 . 1 . . . . 73 PRO CD . 19171 1 453 . 1 1 74 74 GLU H H 1 8.611 0.03 . 1 . . . . 74 GLU H . 19171 1 454 . 1 1 74 74 GLU HA H 1 4.202 0.03 . 1 . . . . 74 GLU HA . 19171 1 455 . 1 1 74 74 GLU HB3 H 1 1.949 0.03 . 1 . . . . 74 GLU HB3 . 19171 1 456 . 1 1 74 74 GLU HG3 H 1 2.281 0.03 . 1 . . . . 74 GLU HG3 . 19171 1 457 . 1 1 74 74 GLU CA C 13 56.693 0.3 . 1 . . . . 74 GLU CA . 19171 1 458 . 1 1 74 74 GLU CB C 13 29.880 0.3 . 1 . . . . 74 GLU CB . 19171 1 459 . 1 1 74 74 GLU CG C 13 36.068 0.3 . 1 . . . . 74 GLU CG . 19171 1 460 . 1 1 74 74 GLU N N 15 120.340 0.3 . 1 . . . . 74 GLU N . 19171 1 461 . 1 1 75 75 GLU HA H 1 4.214 0.03 . 1 . . . . 75 GLU HA . 19171 1 462 . 1 1 75 75 GLU CA C 13 56.900 0.3 . 1 . . . . 75 GLU CA . 19171 1 463 . 1 1 76 76 GLU H H 1 8.406 0.03 . 1 . . . . 76 GLU H . 19171 1 464 . 1 1 76 76 GLU HA H 1 4.183 0.03 . 1 . . . . 76 GLU HA . 19171 1 465 . 1 1 76 76 GLU HB3 H 1 1.934 0.03 . 1 . . . . 76 GLU HB3 . 19171 1 466 . 1 1 76 76 GLU HG3 H 1 2.228 0.03 . 1 . . . . 76 GLU HG3 . 19171 1 467 . 1 1 76 76 GLU CA C 13 56.693 0.3 . 1 . . . . 76 GLU CA . 19171 1 468 . 1 1 76 76 GLU CB C 13 30.568 0.3 . 1 . . . . 76 GLU CB . 19171 1 469 . 1 1 76 76 GLU CG C 13 36.068 0.3 . 1 . . . . 76 GLU CG . 19171 1 470 . 1 1 76 76 GLU N N 15 121.989 0.3 . 1 . . . . 76 GLU N . 19171 1 471 . 1 1 77 77 ALA H H 1 8.324 0.03 . 1 . . . . 77 ALA H . 19171 1 472 . 1 1 77 77 ALA HA H 1 4.277 0.03 . 1 . . . . 77 ALA HA . 19171 1 473 . 1 1 77 77 ALA HB1 H 1 1.348 0.03 . 1 . . . . 77 ALA MB . 19171 1 474 . 1 1 77 77 ALA HB2 H 1 1.348 0.03 . 1 . . . . 77 ALA MB . 19171 1 475 . 1 1 77 77 ALA HB3 H 1 1.348 0.03 . 1 . . . . 77 ALA MB . 19171 1 476 . 1 1 77 77 ALA CA C 13 52.568 0.3 . 1 . . . . 77 ALA CA . 19171 1 477 . 1 1 77 77 ALA CB C 13 18.881 0.3 . 1 . . . . 77 ALA CB . 19171 1 478 . 1 1 77 77 ALA N N 15 125.106 0.3 . 1 . . . . 77 ALA N . 19171 1 479 . 1 1 78 78 GLY H H 1 8.335 0.03 . 1 . . . . 78 GLY H . 19171 1 480 . 1 1 78 78 GLY HA3 H 1 3.910 0.03 . 1 . . . . 78 GLY HA3 . 19171 1 481 . 1 1 78 78 GLY CA C 13 45.693 0.3 . 1 . . . . 78 GLY CA . 19171 1 482 . 1 1 78 78 GLY N N 15 108.044 0.3 . 1 . . . . 78 GLY N . 19171 1 483 . 1 1 79 79 GLY H H 1 8.185 0.03 . 1 . . . . 79 GLY H . 19171 1 484 . 1 1 79 79 GLY HA3 H 1 3.919 0.03 . 1 . . . . 79 GLY HA3 . 19171 1 485 . 1 1 79 79 GLY CA C 13 45.006 0.3 . 1 . . . . 79 GLY CA . 19171 1 486 . 1 1 79 79 GLY N N 15 108.644 0.3 . 1 . . . . 79 GLY N . 19171 1 487 . 1 1 80 80 ALA H H 1 8.241 0.03 . 1 . . . . 80 ALA H . 19171 1 488 . 1 1 80 80 ALA HA H 1 4.277 0.03 . 1 . . . . 80 ALA HA . 19171 1 489 . 1 1 80 80 ALA HB1 H 1 1.321 0.03 . 1 . . . . 80 ALA MB . 19171 1 490 . 1 1 80 80 ALA HB2 H 1 1.321 0.03 . 1 . . . . 80 ALA MB . 19171 1 491 . 1 1 80 80 ALA HB3 H 1 1.321 0.03 . 1 . . . . 80 ALA MB . 19171 1 492 . 1 1 80 80 ALA CA C 13 52.568 0.3 . 1 . . . . 80 ALA CA . 19171 1 493 . 1 1 80 80 ALA CB C 13 19.568 0.3 . 1 . . . . 80 ALA CB . 19171 1 494 . 1 1 80 80 ALA N N 15 123.619 0.3 . 1 . . . . 80 ALA N . 19171 1 495 . 1 1 81 81 GLY H H 1 8.369 0.03 . 1 . . . . 81 GLY H . 19171 1 496 . 1 1 81 81 GLY HA3 H 1 3.913 0.03 . 1 . . . . 81 GLY HA3 . 19171 1 497 . 1 1 81 81 GLY CA C 13 45.006 0.3 . 1 . . . . 81 GLY CA . 19171 1 498 . 1 1 81 81 GLY N N 15 107.949 0.3 . 1 . . . . 81 GLY N . 19171 1 499 . 1 1 82 82 THR H H 1 7.977 0.03 . 1 . . . . 82 THR H . 19171 1 500 . 1 1 82 82 THR HA H 1 4.541 0.03 . 1 . . . . 82 THR HA . 19171 1 501 . 1 1 82 82 THR HB H 1 4.095 0.03 . 1 . . . . 82 THR HB . 19171 1 502 . 1 1 82 82 THR HG21 H 1 1.189 0.03 . 1 . . . . 82 THR HG1 . 19171 1 503 . 1 1 82 82 THR HG22 H 1 1.189 0.03 . 1 . . . . 82 THR HG1 . 19171 1 504 . 1 1 82 82 THR HG23 H 1 1.189 0.03 . 1 . . . . 82 THR HG1 . 19171 1 505 . 1 1 82 82 THR CA C 13 60.131 0.3 . 1 . . . . 82 THR CA . 19171 1 506 . 1 1 82 82 THR CB C 13 69.755 0.3 . 1 . . . . 82 THR CB . 19171 1 507 . 1 1 82 82 THR CG2 C 13 21.631 0.3 . 1 . . . . 82 THR CG2 . 19171 1 508 . 1 1 82 82 THR N N 15 116.454 0.3 . 1 . . . . 82 THR N . 19171 1 509 . 1 1 83 83 PRO HA H 1 4.434 0.03 . 1 . . . . 83 PRO HA . 19171 1 510 . 1 1 83 83 PRO HB3 H 1 2.214 0.03 . 1 . . . . 83 PRO HB3 . 19171 1 511 . 1 1 83 83 PRO HG3 H 1 1.957 0.03 . 1 . . . . 83 PRO HG3 . 19171 1 512 . 1 1 83 83 PRO HD3 H 1 3.627 0.03 . 1 . . . . 83 PRO HD3 . 19171 1 513 . 1 1 83 83 PRO CA C 13 62.881 0.3 . 1 . . . . 83 PRO CA . 19171 1 514 . 1 1 83 83 PRO CB C 13 31.943 0.3 . 1 . . . . 83 PRO CB . 19171 1 515 . 1 1 83 83 PRO CG C 13 27.130 0.3 . 1 . . . . 83 PRO CG . 19171 1 516 . 1 1 83 83 PRO CD C 13 51.193 0.3 . 1 . . . . 83 PRO CD . 19171 1 517 . 1 1 84 84 VAL H H 1 8.211 0.03 . 1 . . . . 84 VAL H . 19171 1 518 . 1 1 84 84 VAL HA H 1 4.065 0.03 . 1 . . . . 84 VAL HA . 19171 1 519 . 1 1 84 84 VAL HB H 1 1.986 0.03 . 1 . . . . 84 VAL HB . 19171 1 520 . 1 1 84 84 VAL HG21 H 1 0.882 0.03 . 1 . . . . 84 VAL MG2 . 19171 1 521 . 1 1 84 84 VAL HG22 H 1 0.882 0.03 . 1 . . . . 84 VAL MG2 . 19171 1 522 . 1 1 84 84 VAL HG23 H 1 0.882 0.03 . 1 . . . . 84 VAL MG2 . 19171 1 523 . 1 1 84 84 VAL CA C 13 62.193 0.3 . 1 . . . . 84 VAL CA . 19171 1 524 . 1 1 84 84 VAL CB C 13 32.630 0.3 . 1 . . . . 84 VAL CB . 19171 1 525 . 1 1 84 84 VAL CG2 C 13 20.943 0.3 . 1 . . . . 84 VAL CG2 . 19171 1 526 . 1 1 84 84 VAL N N 15 121.079 0.3 . 1 . . . . 84 VAL N . 19171 1 527 . 1 1 85 85 ILE H H 1 8.247 0.03 . 1 . . . . 85 ILE H . 19171 1 528 . 1 1 85 85 ILE HA H 1 4.195 0.03 . 1 . . . . 85 ILE HA . 19171 1 529 . 1 1 85 85 ILE HB H 1 1.834 0.03 . 1 . . . . 85 ILE HB . 19171 1 530 . 1 1 85 85 ILE HG12 H 1 1.400 0.03 . 1 . . . . 85 ILE HG12 . 19171 1 531 . 1 1 85 85 ILE HG13 H 1 1.166 0.03 . 1 . . . . 85 ILE HG13 . 19171 1 532 . 1 1 85 85 ILE HG21 H 1 0.844 0.03 . 1 . . . . 85 ILE MG . 19171 1 533 . 1 1 85 85 ILE HG22 H 1 0.844 0.03 . 1 . . . . 85 ILE MG . 19171 1 534 . 1 1 85 85 ILE HG23 H 1 0.844 0.03 . 1 . . . . 85 ILE MG . 19171 1 535 . 1 1 85 85 ILE HD11 H 1 0.797 0.03 . 1 . . . . 85 ILE MD . 19171 1 536 . 1 1 85 85 ILE HD12 H 1 0.797 0.03 . 1 . . . . 85 ILE MD . 19171 1 537 . 1 1 85 85 ILE HD13 H 1 0.797 0.03 . 1 . . . . 85 ILE MD . 19171 1 538 . 1 1 85 85 ILE CA C 13 60.818 0.3 . 1 . . . . 85 ILE CA . 19171 1 539 . 1 1 85 85 ILE CB C 13 38.818 0.3 . 1 . . . . 85 ILE CB . 19171 1 540 . 1 1 85 85 ILE CG1 C 13 27.130 0.3 . 1 . . . . 85 ILE CG1 . 19171 1 541 . 1 1 85 85 ILE CG2 C 13 17.506 0.3 . 1 . . . . 85 ILE CG2 . 19171 1 542 . 1 1 85 85 ILE CD1 C 13 12.693 0.3 . 1 . . . . 85 ILE CD1 . 19171 1 543 . 1 1 85 85 ILE N N 15 125.287 0.3 . 1 . . . . 85 ILE N . 19171 1 544 . 1 1 86 86 THR H H 1 8.130 0.03 . 1 . . . . 86 THR H . 19171 1 545 . 1 1 86 86 THR HA H 1 4.264 0.03 . 1 . . . . 86 THR HA . 19171 1 546 . 1 1 86 86 THR HB H 1 4.143 0.03 . 1 . . . . 86 THR HB . 19171 1 547 . 1 1 86 86 THR HG21 H 1 1.121 0.03 . 1 . . . . 86 THR HG1 . 19171 1 548 . 1 1 86 86 THR HG22 H 1 1.121 0.03 . 1 . . . . 86 THR HG1 . 19171 1 549 . 1 1 86 86 THR HG23 H 1 1.121 0.03 . 1 . . . . 86 THR HG1 . 19171 1 550 . 1 1 86 86 THR CA C 13 62.193 0.3 . 1 . . . . 86 THR CA . 19171 1 551 . 1 1 86 86 THR CB C 13 69.755 0.3 . 1 . . . . 86 THR CB . 19171 1 552 . 1 1 86 86 THR CG2 C 13 21.631 0.3 . 1 . . . . 86 THR CG2 . 19171 1 553 . 1 1 86 86 THR N N 15 118.400 0.3 . 1 . . . . 86 THR N . 19171 1 554 . 1 1 87 87 GLU H H 1 8.292 0.03 . 1 . . . . 87 GLU H . 19171 1 555 . 1 1 87 87 GLU HA H 1 4.275 0.03 . 1 . . . . 87 GLU HA . 19171 1 556 . 1 1 87 87 GLU HB2 H 1 1.884 0.03 . 1 . . . . 87 GLU HB2 . 19171 1 557 . 1 1 87 87 GLU HB3 H 1 1.843 0.03 . 1 . . . . 87 GLU HB3 . 19171 1 558 . 1 1 87 87 GLU HG3 H 1 2.122 0.03 . 1 . . . . 87 GLU HG3 . 19171 1 559 . 1 1 87 87 GLU CA C 13 56.693 0.3 . 1 . . . . 87 GLU CA . 19171 1 560 . 1 1 87 87 GLU CB C 13 30.568 0.3 . 1 . . . . 87 GLU CB . 19171 1 561 . 1 1 87 87 GLU CG C 13 36.068 0.3 . 1 . . . . 87 GLU CG . 19171 1 562 . 1 1 87 87 GLU N N 15 123.487 0.3 . 1 . . . . 87 GLU N . 19171 1 563 . 1 1 88 88 ILE H H 1 8.013 0.03 . 1 . . . . 88 ILE H . 19171 1 564 . 1 1 88 88 ILE HA H 1 4.042 0.03 . 1 . . . . 88 ILE HA . 19171 1 565 . 1 1 88 88 ILE HB H 1 1.705 0.03 . 1 . . . . 88 ILE HB . 19171 1 566 . 1 1 88 88 ILE HG12 H 1 1.306 0.03 . 1 . . . . 88 ILE HG12 . 19171 1 567 . 1 1 88 88 ILE HG13 H 1 1.022 0.03 . 1 . . . . 88 ILE HG13 . 19171 1 568 . 1 1 88 88 ILE HG21 H 1 0.700 0.03 . 1 . . . . 88 ILE MG . 19171 1 569 . 1 1 88 88 ILE HG22 H 1 0.700 0.03 . 1 . . . . 88 ILE MG . 19171 1 570 . 1 1 88 88 ILE HG23 H 1 0.700 0.03 . 1 . . . . 88 ILE MG . 19171 1 571 . 1 1 88 88 ILE HD11 H 1 0.753 0.03 . 1 . . . . 88 ILE MD . 19171 1 572 . 1 1 88 88 ILE HD12 H 1 0.753 0.03 . 1 . . . . 88 ILE MD . 19171 1 573 . 1 1 88 88 ILE HD13 H 1 0.753 0.03 . 1 . . . . 88 ILE MD . 19171 1 574 . 1 1 88 88 ILE CA C 13 61.506 0.3 . 1 . . . . 88 ILE CA . 19171 1 575 . 1 1 88 88 ILE CB C 13 38.818 0.3 . 1 . . . . 88 ILE CB . 19171 1 576 . 1 1 88 88 ILE CG1 C 13 27.130 0.3 . 1 . . . . 88 ILE CG1 . 19171 1 577 . 1 1 88 88 ILE CG2 C 13 17.506 0.3 . 1 . . . . 88 ILE CG2 . 19171 1 578 . 1 1 88 88 ILE CD1 C 13 12.693 0.3 . 1 . . . . 88 ILE CD1 . 19171 1 579 . 1 1 88 88 ILE N N 15 121.076 0.3 . 1 . . . . 88 ILE N . 19171 1 580 . 1 1 89 89 PHE H H 1 8.209 0.03 . 1 . . . . 89 PHE H . 19171 1 581 . 1 1 89 89 PHE HA H 1 4.594 0.03 . 1 . . . . 89 PHE HA . 19171 1 582 . 1 1 89 89 PHE HB2 H 1 2.953 0.03 . 1 . . . . 89 PHE HB2 . 19171 1 583 . 1 1 89 89 PHE HB3 H 1 3.094 0.03 . 1 . . . . 89 PHE HB3 . 19171 1 584 . 1 1 89 89 PHE CA C 13 58.068 0.3 . 1 . . . . 89 PHE CA . 19171 1 585 . 1 1 89 89 PHE CB C 13 39.506 0.3 . 1 . . . . 89 PHE CB . 19171 1 586 . 1 1 89 89 PHE N N 15 123.591 0.3 . 1 . . . . 89 PHE N . 19171 1 587 . 1 1 90 90 SER H H 1 8.103 0.03 . 1 . . . . 90 SER H . 19171 1 588 . 1 1 90 90 SER HA H 1 4.395 0.03 . 1 . . . . 90 SER HA . 19171 1 589 . 1 1 90 90 SER HB3 H 1 3.767 0.03 . 1 . . . . 90 SER HB3 . 19171 1 590 . 1 1 90 90 SER CA C 13 58.681 0.3 . 1 . . . . 90 SER CA . 19171 1 591 . 1 1 90 90 SER CB C 13 64.256 0.3 . 1 . . . . 90 SER CB . 19171 1 592 . 1 1 90 90 SER N N 15 117.069 0.3 . 1 . . . . 90 SER N . 19171 1 593 . 1 1 91 91 LEU H H 1 8.191 0.03 . 1 . . . . 91 LEU H . 19171 1 594 . 1 1 91 91 LEU HA H 1 4.283 0.03 . 1 . . . . 91 LEU HA . 19171 1 595 . 1 1 91 91 LEU HB3 H 1 1.570 0.03 . 1 . . . . 91 LEU HB3 . 19171 1 596 . 1 1 91 91 LEU HG H 1 1.568 0.03 . 1 . . . . 91 LEU HG . 19171 1 597 . 1 1 91 91 LEU HD11 H 1 0.878 0.03 . 1 . . . . 91 LEU MD1 . 19171 1 598 . 1 1 91 91 LEU HD12 H 1 0.878 0.03 . 1 . . . . 91 LEU MD1 . 19171 1 599 . 1 1 91 91 LEU HD13 H 1 0.878 0.03 . 1 . . . . 91 LEU MD1 . 19171 1 600 . 1 1 91 91 LEU CA C 13 55.318 0.3 . 1 . . . . 91 LEU CA . 19171 1 601 . 1 1 91 91 LEU CB C 13 42.256 0.3 . 1 . . . . 91 LEU CB . 19171 1 602 . 1 1 91 91 LEU CG C 13 27.130 0.3 . 1 . . . . 91 LEU CG . 19171 1 603 . 1 1 91 91 LEU CD1 C 13 25.068 0.3 . 1 . . . . 91 LEU CD1 . 19171 1 604 . 1 1 91 91 LEU N N 15 123.939 0.3 . 1 . . . . 91 LEU N . 19171 1 605 . 1 1 92 92 GLY H H 1 8.338 0.03 . 1 . . . . 92 GLY H . 19171 1 606 . 1 1 92 92 GLY HA3 H 1 3.913 0.03 . 1 . . . . 92 GLY HA3 . 19171 1 607 . 1 1 92 92 GLY CA C 13 45.280 0.3 . 1 . . . . 92 GLY CA . 19171 1 608 . 1 1 92 92 GLY N N 15 109.234 0.3 . 1 . . . . 92 GLY N . 19171 1 609 . 1 1 93 93 GLY H H 1 8.204 0.03 . 1 . . . . 93 GLY H . 19171 1 610 . 1 1 93 93 GLY HA3 H 1 3.923 0.03 . 1 . . . . 93 GLY HA3 . 19171 1 611 . 1 1 93 93 GLY CA C 13 45.693 0.3 . 1 . . . . 93 GLY CA . 19171 1 612 . 1 1 93 93 GLY N N 15 108.687 0.3 . 1 . . . . 93 GLY N . 19171 1 613 . 1 1 94 94 THR H H 1 8.047 0.03 . 1 . . . . 94 THR H . 19171 1 614 . 1 1 94 94 THR HA H 1 4.272 0.03 . 1 . . . . 94 THR HA . 19171 1 615 . 1 1 94 94 THR HB H 1 4.136 0.03 . 1 . . . . 94 THR HB . 19171 1 616 . 1 1 94 94 THR HG21 H 1 1.127 0.03 . 1 . . . . 94 THR HG1 . 19171 1 617 . 1 1 94 94 THR HG22 H 1 1.127 0.03 . 1 . . . . 94 THR HG1 . 19171 1 618 . 1 1 94 94 THR HG23 H 1 1.127 0.03 . 1 . . . . 94 THR HG1 . 19171 1 619 . 1 1 94 94 THR CA C 13 62.193 0.3 . 1 . . . . 94 THR CA . 19171 1 620 . 1 1 94 94 THR CB C 13 69.755 0.3 . 1 . . . . 94 THR CB . 19171 1 621 . 1 1 94 94 THR CG2 C 13 21.631 0.3 . 1 . . . . 94 THR CG2 . 19171 1 622 . 1 1 94 94 THR N N 15 113.818 0.3 . 1 . . . . 94 THR N . 19171 1 623 . 1 1 95 95 ARG H H 1 8.258 0.03 . 1 . . . . 95 ARG H . 19171 1 624 . 1 1 95 95 ARG HA H 1 4.251 0.03 . 1 . . . . 95 ARG HA . 19171 1 625 . 1 1 95 95 ARG HB3 H 1 1.626 0.03 . 1 . . . . 95 ARG HB3 . 19171 1 626 . 1 1 95 95 ARG HG3 H 1 1.373 0.03 . 1 . . . . 95 ARG HG3 . 19171 1 627 . 1 1 95 95 ARG CA C 13 56.005 0.3 . 1 . . . . 95 ARG CA . 19171 1 628 . 1 1 95 95 ARG CB C 13 30.568 0.3 . 1 . . . . 95 ARG CB . 19171 1 629 . 1 1 95 95 ARG CG C 13 27.130 0.3 . 1 . . . . 95 ARG CG . 19171 1 630 . 1 1 95 95 ARG N N 15 122.910 0.3 . 1 . . . . 95 ARG N . 19171 1 631 . 1 1 96 96 PHE H H 1 8.174 0.03 . 1 . . . . 96 PHE H . 19171 1 632 . 1 1 96 96 PHE HA H 1 4.539 0.03 . 1 . . . . 96 PHE HA . 19171 1 633 . 1 1 96 96 PHE HB2 H 1 3.087 0.03 . 1 . . . . 96 PHE HB2 . 19171 1 634 . 1 1 96 96 PHE HB3 H 1 2.953 0.03 . 1 . . . . 96 PHE HB3 . 19171 1 635 . 1 1 96 96 PHE CA C 13 58.068 0.3 . 1 . . . . 96 PHE CA . 19171 1 636 . 1 1 96 96 PHE CB C 13 39.506 0.3 . 1 . . . . 96 PHE CB . 19171 1 637 . 1 1 96 96 PHE N N 15 120.905 0.3 . 1 . . . . 96 PHE N . 19171 1 638 . 1 1 97 97 ARG H H 1 8.131 0.03 . 1 . . . . 97 ARG H . 19171 1 639 . 1 1 97 97 ARG HA H 1 4.247 0.03 . 1 . . . . 97 ARG HA . 19171 1 640 . 1 1 97 97 ARG HB3 H 1 1.649 0.03 . 1 . . . . 97 ARG HB3 . 19171 1 641 . 1 1 97 97 ARG HG3 H 1 1.430 0.03 . 1 . . . . 97 ARG HG3 . 19171 1 642 . 1 1 97 97 ARG CA C 13 56.005 0.3 . 1 . . . . 97 ARG CA . 19171 1 643 . 1 1 97 97 ARG CB C 13 31.255 0.3 . 1 . . . . 97 ARG CB . 19171 1 644 . 1 1 97 97 ARG CG C 13 27.130 0.3 . 1 . . . . 97 ARG CG . 19171 1 645 . 1 1 97 97 ARG N N 15 122.035 0.3 . 1 . . . . 97 ARG N . 19171 1 646 . 1 1 98 98 ASP H H 1 8.255 0.03 . 1 . . . . 98 ASP H . 19171 1 647 . 1 1 98 98 ASP HA H 1 4.589 0.03 . 1 . . . . 98 ASP HA . 19171 1 648 . 1 1 98 98 ASP HB3 H 1 2.609 0.03 . 1 . . . . 98 ASP HB3 . 19171 1 649 . 1 1 98 98 ASP CA C 13 54.630 0.3 . 1 . . . . 98 ASP CA . 19171 1 650 . 1 1 98 98 ASP CB C 13 41.568 0.3 . 1 . . . . 98 ASP CB . 19171 1 651 . 1 1 98 98 ASP N N 15 121.296 0.3 . 1 . . . . 98 ASP N . 19171 1 652 . 1 1 99 99 THR H H 1 7.974 0.03 . 1 . . . . 99 THR H . 19171 1 653 . 1 1 99 99 THR HA H 1 4.224 0.03 . 1 . . . . 99 THR HA . 19171 1 654 . 1 1 99 99 THR HB H 1 4.225 0.03 . 1 . . . . 99 THR HB . 19171 1 655 . 1 1 99 99 THR HG21 H 1 1.166 0.03 . 1 . . . . 99 THR HG1 . 19171 1 656 . 1 1 99 99 THR HG22 H 1 1.166 0.03 . 1 . . . . 99 THR HG1 . 19171 1 657 . 1 1 99 99 THR HG23 H 1 1.166 0.03 . 1 . . . . 99 THR HG1 . 19171 1 658 . 1 1 99 99 THR CA C 13 62.193 0.3 . 1 . . . . 99 THR CA . 19171 1 659 . 1 1 99 99 THR CB C 13 69.755 0.3 . 1 . . . . 99 THR CB . 19171 1 660 . 1 1 99 99 THR CG2 C 13 21.631 0.3 . 1 . . . . 99 THR CG2 . 19171 1 661 . 1 1 99 99 THR N N 15 113.860 0.3 . 1 . . . . 99 THR N . 19171 1 662 . 1 1 100 100 ALA H H 1 8.200 0.03 . 1 . . . . 100 ALA H . 19171 1 663 . 1 1 100 100 ALA HA H 1 4.239 0.03 . 1 . . . . 100 ALA HA . 19171 1 664 . 1 1 100 100 ALA HB1 H 1 1.245 0.03 . 1 . . . . 100 ALA MB . 19171 1 665 . 1 1 100 100 ALA HB2 H 1 1.245 0.03 . 1 . . . . 100 ALA MB . 19171 1 666 . 1 1 100 100 ALA HB3 H 1 1.245 0.03 . 1 . . . . 100 ALA MB . 19171 1 667 . 1 1 100 100 ALA CA C 13 52.568 0.3 . 1 . . . . 100 ALA CA . 19171 1 668 . 1 1 100 100 ALA CB C 13 19.049 0.3 . 1 . . . . 100 ALA CB . 19171 1 669 . 1 1 100 100 ALA N N 15 125.807 0.3 . 1 . . . . 100 ALA N . 19171 1 670 . 1 1 101 101 VAL H H 1 7.819 0.03 . 1 . . . . 101 VAL H . 19171 1 671 . 1 1 101 101 VAL HA H 1 4.006 0.03 . 1 . . . . 101 VAL HA . 19171 1 672 . 1 1 101 101 VAL HB H 1 1.952 0.03 . 1 . . . . 101 VAL HB . 19171 1 673 . 1 1 101 101 VAL HG21 H 1 0.779 0.03 . 1 . . . . 101 VAL MG2 . 19171 1 674 . 1 1 101 101 VAL HG22 H 1 0.779 0.03 . 1 . . . . 101 VAL MG2 . 19171 1 675 . 1 1 101 101 VAL HG23 H 1 0.779 0.03 . 1 . . . . 101 VAL MG2 . 19171 1 676 . 1 1 101 101 VAL CA C 13 62.193 0.3 . 1 . . . . 101 VAL CA . 19171 1 677 . 1 1 101 101 VAL CB C 13 32.630 0.3 . 1 . . . . 101 VAL CB . 19171 1 678 . 1 1 101 101 VAL CG2 C 13 20.943 0.3 . 1 . . . . 101 VAL CG2 . 19171 1 679 . 1 1 101 101 VAL N N 15 118.025 0.3 . 1 . . . . 101 VAL N . 19171 1 680 . 1 1 102 102 TRP H H 1 8.043 0.03 . 1 . . . . 102 TRP H . 19171 1 681 . 1 1 102 102 TRP HA H 1 4.659 0.03 . 1 . . . . 102 TRP HA . 19171 1 682 . 1 1 102 102 TRP HB3 H 1 3.127 0.03 . 1 . . . . 102 TRP HB3 . 19171 1 683 . 1 1 102 102 TRP HE1 H 1 10.041 0.03 . 1 . . . . 102 TRP HE1 . 19171 1 684 . 1 1 102 102 TRP CA C 13 56.693 0.3 . 1 . . . . 102 TRP CA . 19171 1 685 . 1 1 102 102 TRP CB C 13 29.880 0.3 . 1 . . . . 102 TRP CB . 19171 1 686 . 1 1 102 102 TRP N N 15 124.248 0.3 . 1 . . . . 102 TRP N . 19171 1 687 . 1 1 102 102 TRP NE1 N 15 130.145 0.3 . 1 . . . . 102 TRP NE1 . 19171 1 688 . 1 1 103 103 LEU H H 1 7.771 0.03 . 1 . . . . 103 LEU H . 19171 1 689 . 1 1 103 103 LEU HA H 1 4.498 0.03 . 1 . . . . 103 LEU HA . 19171 1 690 . 1 1 103 103 LEU HB3 H 1 1.397 0.03 . 1 . . . . 103 LEU HB3 . 19171 1 691 . 1 1 103 103 LEU HG H 1 1.422 0.03 . 1 . . . . 103 LEU HG . 19171 1 692 . 1 1 103 103 LEU HD11 H 1 0.770 0.03 . 1 . . . . 103 LEU MD1 . 19171 1 693 . 1 1 103 103 LEU HD12 H 1 0.770 0.03 . 1 . . . . 103 LEU MD1 . 19171 1 694 . 1 1 103 103 LEU HD13 H 1 0.770 0.03 . 1 . . . . 103 LEU MD1 . 19171 1 695 . 1 1 103 103 LEU CA C 13 52.568 0.3 . 1 . . . . 103 LEU CA . 19171 1 696 . 1 1 103 103 LEU CB C 13 42.256 0.3 . 1 . . . . 103 LEU CB . 19171 1 697 . 1 1 103 103 LEU CG C 13 27.130 0.3 . 1 . . . . 103 LEU CG . 19171 1 698 . 1 1 103 103 LEU CD1 C 13 24.380 0.3 . 1 . . . . 103 LEU CD1 . 19171 1 699 . 1 1 103 103 LEU N N 15 125.605 0.3 . 1 . . . . 103 LEU N . 19171 1 700 . 1 1 104 104 PRO HA H 1 4.189 0.03 . 1 . . . . 104 PRO HA . 19171 1 701 . 1 1 104 104 PRO HB3 H 1 2.226 0.03 . 1 . . . . 104 PRO HB3 . 19171 1 702 . 1 1 104 104 PRO CA C 13 62.881 0.3 . 1 . . . . 104 PRO CA . 19171 1 703 . 1 1 104 104 PRO CB C 13 31.943 0.3 . 1 . . . . 104 PRO CB . 19171 1 704 . 1 1 105 105 ARG H H 1 8.341 0.03 . 1 . . . . 105 ARG H . 19171 1 705 . 1 1 105 105 ARG HA H 1 4.289 0.03 . 1 . . . . 105 ARG HA . 19171 1 706 . 1 1 105 105 ARG HB2 H 1 1.801 0.03 . 1 . . . . 105 ARG HB2 . 19171 1 707 . 1 1 105 105 ARG HB3 H 1 1.740 0.03 . 1 . . . . 105 ARG HB3 . 19171 1 708 . 1 1 105 105 ARG HG2 H 1 1.626 0.03 . 1 . . . . 105 ARG HG2 . 19171 1 709 . 1 1 105 105 ARG HG3 H 1 1.566 0.03 . 1 . . . . 105 ARG HG3 . 19171 1 710 . 1 1 105 105 ARG CA C 13 56.005 0.3 . 1 . . . . 105 ARG CA . 19171 1 711 . 1 1 105 105 ARG CB C 13 31.255 0.3 . 1 . . . . 105 ARG CB . 19171 1 712 . 1 1 105 105 ARG CG C 13 27.130 0.3 . 1 . . . . 105 ARG CG . 19171 1 713 . 1 1 105 105 ARG N N 15 120.691 0.3 . 1 . . . . 105 ARG N . 19171 1 714 . 1 1 106 106 SER H H 1 8.259 0.03 . 1 . . . . 106 SER H . 19171 1 715 . 1 1 106 106 SER HA H 1 4.367 0.03 . 1 . . . . 106 SER HA . 19171 1 716 . 1 1 106 106 SER HB3 H 1 3.833 0.03 . 1 . . . . 106 SER HB3 . 19171 1 717 . 1 1 106 106 SER CA C 13 58.756 0.3 . 1 . . . . 106 SER CA . 19171 1 718 . 1 1 106 106 SER CB C 13 63.568 0.3 . 1 . . . . 106 SER CB . 19171 1 719 . 1 1 106 106 SER N N 15 116.760 0.3 . 1 . . . . 106 SER N . 19171 1 720 . 1 1 107 107 LYS H H 1 8.342 0.03 . 1 . . . . 107 LYS H . 19171 1 721 . 1 1 107 107 LYS HA H 1 4.234 0.03 . 1 . . . . 107 LYS HA . 19171 1 722 . 1 1 107 107 LYS HB3 H 1 1.740 0.03 . 1 . . . . 107 LYS HB3 . 19171 1 723 . 1 1 107 107 LYS CA C 13 56.330 0.3 . 1 . . . . 107 LYS CA . 19171 1 724 . 1 1 107 107 LYS CB C 13 33.318 0.3 . 1 . . . . 107 LYS CB . 19171 1 725 . 1 1 107 107 LYS N N 15 122.742 0.3 . 1 . . . . 107 LYS N . 19171 1 726 . 1 1 108 108 ASP H H 1 8.169 0.03 . 1 . . . . 108 ASP H . 19171 1 727 . 1 1 108 108 ASP HA H 1 4.535 0.03 . 1 . . . . 108 ASP HA . 19171 1 728 . 1 1 108 108 ASP HB2 H 1 2.499 0.03 . 1 . . . . 108 ASP HB2 . 19171 1 729 . 1 1 108 108 ASP HB3 H 1 2.733 0.03 . 1 . . . . 108 ASP HB3 . 19171 1 730 . 1 1 108 108 ASP CA C 13 54.630 0.3 . 1 . . . . 108 ASP CA . 19171 1 731 . 1 1 108 108 ASP CB C 13 40.881 0.3 . 1 . . . . 108 ASP CB . 19171 1 732 . 1 1 108 108 ASP N N 15 120.717 0.3 . 1 . . . . 108 ASP N . 19171 1 733 . 1 1 109 109 LEU H H 1 8.037 0.03 . 1 . . . . 109 LEU H . 19171 1 734 . 1 1 109 109 LEU HA H 1 4.245 0.03 . 1 . . . . 109 LEU HA . 19171 1 735 . 1 1 109 109 LEU HB3 H 1 1.580 0.03 . 1 . . . . 109 LEU HB3 . 19171 1 736 . 1 1 109 109 LEU HG H 1 1.559 0.03 . 1 . . . . 109 LEU HG . 19171 1 737 . 1 1 109 109 LEU HD11 H 1 0.855 0.03 . 1 . . . . 109 LEU MD1 . 19171 1 738 . 1 1 109 109 LEU HD12 H 1 0.855 0.03 . 1 . . . . 109 LEU MD1 . 19171 1 739 . 1 1 109 109 LEU HD13 H 1 0.855 0.03 . 1 . . . . 109 LEU MD1 . 19171 1 740 . 1 1 109 109 LEU CA C 13 55.318 0.3 . 1 . . . . 109 LEU CA . 19171 1 741 . 1 1 109 109 LEU CB C 13 42.256 0.3 . 1 . . . . 109 LEU CB . 19171 1 742 . 1 1 109 109 LEU CG C 13 27.130 0.3 . 1 . . . . 109 LEU CG . 19171 1 743 . 1 1 109 109 LEU CD1 C 13 24.473 0.3 . 1 . . . . 109 LEU CD1 . 19171 1 744 . 1 1 109 109 LEU N N 15 122.580 0.3 . 1 . . . . 109 LEU N . 19171 1 745 . 1 1 110 110 LYS H H 1 8.211 0.03 . 1 . . . . 110 LYS H . 19171 1 746 . 1 1 110 110 LYS HA H 1 4.194 0.03 . 1 . . . . 110 LYS HA . 19171 1 747 . 1 1 110 110 LYS HB3 H 1 1.713 0.03 . 1 . . . . 110 LYS HB3 . 19171 1 748 . 1 1 110 110 LYS HG3 H 1 1.335 0.03 . 1 . . . . 110 LYS HG3 . 19171 1 749 . 1 1 110 110 LYS CA C 13 56.696 0.3 . 1 . . . . 110 LYS CA . 19171 1 750 . 1 1 110 110 LYS CB C 13 32.630 0.3 . 1 . . . . 110 LYS CB . 19171 1 751 . 1 1 110 110 LYS CG C 13 25.068 0.3 . 1 . . . . 110 LYS CG . 19171 1 752 . 1 1 110 110 LYS N N 15 121.500 0.3 . 1 . . . . 110 LYS N . 19171 1 753 . 1 1 112 112 PRO HA H 1 4.315 0.03 . 1 . . . . 112 PRO HA . 19171 1 754 . 1 1 112 112 PRO CA C 13 63.568 0.3 . 1 . . . . 112 PRO CA . 19171 1 755 . 1 1 113 113 GLY H H 1 8.431 0.03 . 1 . . . . 113 GLY H . 19171 1 756 . 1 1 113 113 GLY HA3 H 1 3.917 0.03 . 1 . . . . 113 GLY HA3 . 19171 1 757 . 1 1 113 113 GLY CA C 13 45.006 0.3 . 1 . . . . 113 GLY CA . 19171 1 758 . 1 1 113 113 GLY N N 15 109.268 0.3 . 1 . . . . 113 GLY N . 19171 1 759 . 1 1 114 114 ALA H H 1 8.054 0.03 . 1 . . . . 114 ALA H . 19171 1 760 . 1 1 114 114 ALA HA H 1 4.272 0.03 . 1 . . . . 114 ALA HA . 19171 1 761 . 1 1 114 114 ALA HB1 H 1 1.341 0.03 . 1 . . . . 114 ALA MB . 19171 1 762 . 1 1 114 114 ALA HB2 H 1 1.341 0.03 . 1 . . . . 114 ALA MB . 19171 1 763 . 1 1 114 114 ALA HB3 H 1 1.341 0.03 . 1 . . . . 114 ALA MB . 19171 1 764 . 1 1 114 114 ALA CA C 13 52.568 0.3 . 1 . . . . 114 ALA CA . 19171 1 765 . 1 1 114 114 ALA CB C 13 19.568 0.3 . 1 . . . . 114 ALA CB . 19171 1 766 . 1 1 114 114 ALA N N 15 123.590 0.3 . 1 . . . . 114 ALA N . 19171 1 767 . 1 1 115 115 ARG H H 1 8.293 0.03 . 1 . . . . 115 ARG H . 19171 1 768 . 1 1 115 115 ARG HA H 1 4.273 0.03 . 1 . . . . 115 ARG HA . 19171 1 769 . 1 1 115 115 ARG HB3 H 1 1.748 0.03 . 1 . . . . 115 ARG HB3 . 19171 1 770 . 1 1 115 115 ARG HG3 H 1 1.587 0.03 . 1 . . . . 115 ARG HG3 . 19171 1 771 . 1 1 115 115 ARG CA C 13 56.005 0.3 . 1 . . . . 115 ARG CA . 19171 1 772 . 1 1 115 115 ARG CB C 13 31.255 0.3 . 1 . . . . 115 ARG CB . 19171 1 773 . 1 1 115 115 ARG CG C 13 26.443 0.3 . 1 . . . . 115 ARG CG . 19171 1 774 . 1 1 115 115 ARG N N 15 120.563 0.3 . 1 . . . . 115 ARG N . 19171 1 775 . 1 1 116 116 LYS H H 1 8.384 0.03 . 1 . . . . 116 LYS H . 19171 1 776 . 1 1 116 116 LYS HA H 1 4.274 0.03 . 1 . . . . 116 LYS HA . 19171 1 777 . 1 1 116 116 LYS HB3 H 1 1.729 0.03 . 1 . . . . 116 LYS HB3 . 19171 1 778 . 1 1 116 116 LYS CA C 13 56.394 0.3 . 1 . . . . 116 LYS CA . 19171 1 779 . 1 1 116 116 LYS CB C 13 32.930 0.3 . 1 . . . . 116 LYS CB . 19171 1 780 . 1 1 116 116 LYS N N 15 123.856 0.3 . 1 . . . . 116 LYS N . 19171 1 781 . 1 1 117 117 GLN H H 1 7.993 0.03 . 1 . . . . 117 GLN H . 19171 1 782 . 1 1 117 117 GLN HA H 1 4.140 0.03 . 1 . . . . 117 GLN HA . 19171 1 783 . 1 1 117 117 GLN HB3 H 1 1.887 0.03 . 1 . . . . 117 GLN HB3 . 19171 1 784 . 1 1 117 117 GLN HG3 H 1 1.795 0.03 . 1 . . . . 117 GLN HG3 . 19171 1 785 . 1 1 117 117 GLN HE21 H 1 7.502 0.03 . 1 . . . . 117 GLN HE21 . 19171 1 786 . 1 1 117 117 GLN CA C 13 57.381 0.3 . 1 . . . . 117 GLN CA . 19171 1 787 . 1 1 117 117 GLN CB C 13 30.568 0.3 . 1 . . . . 117 GLN CB . 19171 1 788 . 1 1 117 117 GLN CG C 13 33.318 0.3 . 1 . . . . 117 GLN CG . 19171 1 789 . 1 1 117 117 GLN CD C 13 6.789 0.03 . 1 . . . . 117 GLN CD . 19171 1 790 . 1 1 117 117 GLN N N 15 126.988 0.3 . 1 . . . . 117 GLN N . 19171 1 791 . 1 1 117 117 GLN NE2 N 15 112.156 0.3 . 1 . . . . 117 GLN NE2 . 19171 1 stop_ save_