data_19516 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19516 _Entry.Title ; Solution NMR structure of Dot1L in complex with AF9 (Dot1L-AF9). ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-20 _Entry.Accession_date 2013-09-20 _Entry.Last_release_date 2015-04-20 _Entry.Original_release_date 2015-04-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Aravinda Kuntimaddi . . . 19516 2 John Bushweller . H. . 19516 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19516 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AF4 . 19516 AF9 . 19516 Animals . 19516 'Bone Marrow Cells' . 19516 ChIP . 19516 ChIP-Seq . 19516 'Chromatin Immunoprecipitation' . 19516 Dot1 . 19516 Dot1L . 19516 Epigenetics . 19516 H3K79 . 19516 'Histone H3-K79 methyltransferase' . 19516 'Histone methyltransferases' . 19516 'Histone-lysine N-methyltransferase, H3 lysine-79 specific' . 19516 IDP . 19516 'Intrinsically Disordered Protein' . 19516 KMT4 . 19516 Leukemia . 19516 MLL . 19516 MLL-AF9 . 19516 MLLT3 . 19516 Mice . 19516 'Mixed Lineage Leukemia' . 19516 Mutagenesis . 19516 'Myeloid-Lymphoid Leukemia Protein' . 19516 NMR . 19516 'Non Linear Repeat Motifs' . 19516 'Protein AF-9' . 19516 'Protein Structure' . 19516 'Reverse Transcriptase Polymerase Chain Reaction' . 19516 YEATS3 . 19516 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19516 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 19516 '15N chemical shifts' 89 19516 '1H chemical shifts' 638 19516 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 . . 2015-04-20 . original BMRB . 19516 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LM0 'Solution NMR structure of the AF4-AF9 complex' 19516 PDB 2me5 'BMRB Entry Tracking System' 19516 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 19516 _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 ; Solution NMR structure of Dot1L in complex with AF9 (Dot1L-AF9). ; _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 Aravinda Kuntimaddi . . . 19516 1 2 John Bushweller . H. . 19516 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19516 _Assembly.ID 1 _Assembly.Name 'Dot1L-AF9 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'AF9 protein' 1 $Protein_AF-9 A . yes native no no . . . 19516 1 2 'Dot1L Histone lysine N-methyltransferase' 2 $Dot1L_Histone-lysine_N-methyltransferase B . yes native no no . . . 19516 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Protein_AF-9 _Entity.Sf_category entity _Entity.Sf_framecode Protein_AF-9 _Entity.Entry_ID 19516 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Protein_AF-9 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DKAYLDELVELHRRLMTLRE RHILQQIVNLIEETGHFHIT NTTFDFDLCSLDKTTVRKLQ SYLETSGTS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'AF9 Residues 500-568' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8147.291 _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 18094 . "AF4-Af9 fusion" . . . . . 100.00 125 100.00 100.00 2.74e-41 . . . . 19516 1 2 no PDB 2LM0 . "Solution Structure Of The Af4-af9 Complex" . . . . . 100.00 125 100.00 100.00 2.74e-41 . . . . 19516 1 3 no PDB 2MV7 . "Solution Nmr Structure Of Dot1l In Complex With Af9 (dot1l-af9)" . . . . . 100.00 69 100.00 100.00 1.13e-40 . . . . 19516 1 4 no DBJ BAA04090 . "LTG9/MLLT3 protein [Homo sapiens]" . . . . . 100.00 342 100.00 100.00 3.66e-37 . . . . 19516 1 5 no DBJ BAB31731 . "unnamed protein product [Mus musculus]" . . . . . 63.77 138 97.73 100.00 3.89e-21 . . . . 19516 1 6 no DBJ BAE27603 . "unnamed protein product [Mus musculus]" . . . . . 100.00 162 100.00 100.00 3.66e-41 . . . . 19516 1 7 no DBJ BAG35760 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 568 100.00 100.00 9.64e-37 . . . . 19516 1 8 no DBJ BAG72836 . "trithorax homolog [synthetic construct]" . . . . . 100.00 551 100.00 100.00 1.03e-36 . . . . 19516 1 9 no EMBL CAA06960 . "AF-9 [Rattus norvegicus]" . . . . . 100.00 370 100.00 100.00 1.54e-36 . . . . 19516 1 10 no EMBL CDQ62412 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 98.55 644 100.00 100.00 6.90e-38 . . . . 19516 1 11 no EMBL CDQ68675 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 568 98.55 98.55 6.10e-38 . . . . 19516 1 12 no GB AAA58361 . "AF-9 [Homo sapiens]" . . . . . 100.00 568 100.00 100.00 1.20e-36 . . . . 19516 1 13 no GB AAH21420 . "Mllt3 protein [Mus musculus]" . . . . . 100.00 557 100.00 100.00 1.03e-36 . . . . 19516 1 14 no GB AAH36089 . "Myeloid/lymphoid or mixed-lineage leukemia (trithorax homolog, Drosophila); translocated to, 3 [Homo sapiens]" . . . . . 100.00 568 100.00 100.00 8.56e-37 . . . . 19516 1 15 no GB AAI29090 . "Mllt3 protein [Rattus norvegicus]" . . . . . 100.00 382 100.00 100.00 2.14e-36 . . . . 19516 1 16 no GB AAK28536 . "AF9, partial [Mus musculus]" . . . . . 100.00 560 100.00 100.00 6.53e-37 . . . . 19516 1 17 no REF NP_001179478 . "protein AF-9 [Bos taurus]" . . . . . 100.00 567 100.00 100.00 8.52e-37 . . . . 19516 1 18 no REF NP_001273087 . "protein AF-9 isoform 3 [Mus musculus]" . . . . . 63.77 138 97.73 100.00 3.89e-21 . . . . 19516 1 19 no REF NP_001273620 . "protein AF-9 isoform b [Homo sapiens]" . . . . . 100.00 565 100.00 100.00 1.18e-36 . . . . 19516 1 20 no REF NP_004520 . "protein AF-9 isoform a [Homo sapiens]" . . . . . 100.00 568 100.00 100.00 1.16e-36 . . . . 19516 1 21 no REF NP_081602 . "protein AF-9 isoform 1 [Mus musculus]" . . . . . 100.00 569 100.00 100.00 8.60e-37 . . . . 19516 1 22 no SP A2AM29 . "RecName: Full=Protein AF-9; AltName: Full=Myeloid/lymphoid or mixed-lineage leukemia translocated to chromosome 3 protein homol" . . . . . 100.00 569 100.00 100.00 8.60e-37 . . . . 19516 1 23 no SP P42568 . "RecName: Full=Protein AF-9; AltName: Full=ALL1-fused gene from chromosome 9 protein; AltName: Full=Myeloid/lymphoid or mixed-li" . . . . . 100.00 568 100.00 100.00 1.16e-36 . . . . 19516 1 24 no TPG DAA26970 . "TPA: myeloid/lymphoid or mixed lineage-leukemia translocation to 3 homolog [Bos taurus]" . . . . . 100.00 567 100.00 100.00 8.52e-37 . . . . 19516 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 1 500 ASP . 19516 1 2 501 LYS . 19516 1 3 502 ALA . 19516 1 4 503 TYR . 19516 1 5 504 LEU . 19516 1 6 505 ASP . 19516 1 7 506 GLU . 19516 1 8 507 LEU . 19516 1 9 508 VAL . 19516 1 10 509 GLU . 19516 1 11 510 LEU . 19516 1 12 511 HIS . 19516 1 13 512 ARG . 19516 1 14 513 ARG . 19516 1 15 514 LEU . 19516 1 16 515 MET . 19516 1 17 516 THR . 19516 1 18 517 LEU . 19516 1 19 518 ARG . 19516 1 20 519 GLU . 19516 1 21 520 ARG . 19516 1 22 521 HIS . 19516 1 23 522 ILE . 19516 1 24 523 LEU . 19516 1 25 524 GLN . 19516 1 26 525 GLN . 19516 1 27 526 ILE . 19516 1 28 527 VAL . 19516 1 29 528 ASN . 19516 1 30 529 LEU . 19516 1 31 530 ILE . 19516 1 32 531 GLU . 19516 1 33 532 GLU . 19516 1 34 533 THR . 19516 1 35 534 GLY . 19516 1 36 535 HIS . 19516 1 37 536 PHE . 19516 1 38 537 HIS . 19516 1 39 538 ILE . 19516 1 40 539 THR . 19516 1 41 540 ASN . 19516 1 42 541 THR . 19516 1 43 542 THR . 19516 1 44 543 PHE . 19516 1 45 544 ASP . 19516 1 46 545 PHE . 19516 1 47 546 ASP . 19516 1 48 547 LEU . 19516 1 49 548 CYS . 19516 1 50 549 SER . 19516 1 51 550 LEU . 19516 1 52 551 ASP . 19516 1 53 552 LYS . 19516 1 54 553 THR . 19516 1 55 554 THR . 19516 1 56 555 VAL . 19516 1 57 556 ARG . 19516 1 58 557 LYS . 19516 1 59 558 LEU . 19516 1 60 559 GLN . 19516 1 61 560 SER . 19516 1 62 561 TYR . 19516 1 63 562 LEU . 19516 1 64 563 GLU . 19516 1 65 564 THR . 19516 1 66 565 SER . 19516 1 67 566 GLY . 19516 1 68 567 THR . 19516 1 69 568 SER . 19516 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 . ASP 1 1 19516 1 . LYS 2 2 19516 1 . ALA 3 3 19516 1 . TYR 4 4 19516 1 . LEU 5 5 19516 1 . ASP 6 6 19516 1 . GLU 7 7 19516 1 . LEU 8 8 19516 1 . VAL 9 9 19516 1 . GLU 10 10 19516 1 . LEU 11 11 19516 1 . HIS 12 12 19516 1 . ARG 13 13 19516 1 . ARG 14 14 19516 1 . LEU 15 15 19516 1 . MET 16 16 19516 1 . THR 17 17 19516 1 . LEU 18 18 19516 1 . ARG 19 19 19516 1 . GLU 20 20 19516 1 . ARG 21 21 19516 1 . HIS 22 22 19516 1 . ILE 23 23 19516 1 . LEU 24 24 19516 1 . GLN 25 25 19516 1 . GLN 26 26 19516 1 . ILE 27 27 19516 1 . VAL 28 28 19516 1 . ASN 29 29 19516 1 . LEU 30 30 19516 1 . ILE 31 31 19516 1 . GLU 32 32 19516 1 . GLU 33 33 19516 1 . THR 34 34 19516 1 . GLY 35 35 19516 1 . HIS 36 36 19516 1 . PHE 37 37 19516 1 . HIS 38 38 19516 1 . ILE 39 39 19516 1 . THR 40 40 19516 1 . ASN 41 41 19516 1 . THR 42 42 19516 1 . THR 43 43 19516 1 . PHE 44 44 19516 1 . ASP 45 45 19516 1 . PHE 46 46 19516 1 . ASP 47 47 19516 1 . LEU 48 48 19516 1 . CYS 49 49 19516 1 . SER 50 50 19516 1 . LEU 51 51 19516 1 . ASP 52 52 19516 1 . LYS 53 53 19516 1 . THR 54 54 19516 1 . THR 55 55 19516 1 . VAL 56 56 19516 1 . ARG 57 57 19516 1 . LYS 58 58 19516 1 . LEU 59 59 19516 1 . GLN 60 60 19516 1 . SER 61 61 19516 1 . TYR 62 62 19516 1 . LEU 63 63 19516 1 . GLU 64 64 19516 1 . THR 65 65 19516 1 . SER 66 66 19516 1 . GLY 67 67 19516 1 . THR 68 68 19516 1 . SER 69 69 19516 1 stop_ save_ save_Dot1L_Histone-lysine_N-methyltransferase _Entity.Sf_category entity _Entity.Sf_framecode Dot1L_Histone-lysine_N-methyltransferase _Entity.Entry_ID 19516 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Dot1L_Histone-lysine_N-methyltransferase _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TNKLPVSIPLASVVLPSRAE RARST ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 25 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Dot1L Residues 876-900' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2667.140 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 876 THR . 19516 2 2 877 ASN . 19516 2 3 878 LYS . 19516 2 4 879 LEU . 19516 2 5 880 PRO . 19516 2 6 881 VAL . 19516 2 7 882 SER . 19516 2 8 883 ILE . 19516 2 9 884 PRO . 19516 2 10 885 LEU . 19516 2 11 886 ALA . 19516 2 12 887 SER . 19516 2 13 888 VAL . 19516 2 14 889 VAL . 19516 2 15 890 LEU . 19516 2 16 891 PRO . 19516 2 17 892 SER . 19516 2 18 893 ARG . 19516 2 19 894 ALA . 19516 2 20 895 GLU . 19516 2 21 896 ARG . 19516 2 22 897 ALA . 19516 2 23 898 ARG . 19516 2 24 899 SER . 19516 2 25 900 THR . 19516 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . THR 1 1 19516 2 . ASN 2 2 19516 2 . LYS 3 3 19516 2 . LEU 4 4 19516 2 . PRO 5 5 19516 2 . VAL 6 6 19516 2 . SER 7 7 19516 2 . ILE 8 8 19516 2 . PRO 9 9 19516 2 . LEU 10 10 19516 2 . ALA 11 11 19516 2 . SER 12 12 19516 2 . VAL 13 13 19516 2 . VAL 14 14 19516 2 . LEU 15 15 19516 2 . PRO 16 16 19516 2 . SER 17 17 19516 2 . ARG 18 18 19516 2 . ALA 19 19 19516 2 . GLU 20 20 19516 2 . ARG 21 21 19516 2 . ALA 22 22 19516 2 . ARG 23 23 19516 2 . SER 24 24 19516 2 . THR 25 25 19516 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19516 _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 $Protein_AF-9 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'MLLT3, AF9, YEATS3' . 19516 1 2 2 $Dot1L_Histone-lysine_N-methyltransferase . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'DOT1L, KIAA1814, KMT4' . 19516 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 19516 _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 $Protein_AF-9 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta 2 De3' . . . . . pETduet-1 . . 'Thioredoxin Coding Region was inserted into pETduet-1 vector to increase expression' 19516 1 2 2 $Dot1L_Histone-lysine_N-methyltransferase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta 2 De3' . . . . . pETduet-1 . . 'Thioredoxin Coding Region was inserted into pETduet-1 vector to increase expression' 19516 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Dot1L-AF9 _Sample.Sf_category sample _Sample.Sf_framecode Dot1L-AF9 _Sample.Entry_ID 19516 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Protein AF-9' '[U-100% 13C; U-100% 15N]' . . 1 $Protein_AF-9 . . 750 . . uM . . . . 19516 1 2 'Histone-lysine N-methyltransferase, H3 lysine-79 specific' '[U-100% 13C; U-100% 15N]' . . 2 $Dot1L_Histone-lysine_N-methyltransferase . . 750 . . uM . . . . 19516 1 3 Bis-Tris 'natural abundance' . . . . . . 9.3 . . mM . . . . 19516 1 4 MES 'natural abundance' . . . . . . 15.8 . . mM . . . . 19516 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19516 1 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19516 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19516 1 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19516 1 stop_ save_ save_Dot1L-AF9_RDC_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Dot1L-AF9_RDC_sample_1 _Sample.Entry_ID 19516 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Protein AF-9' '[U-100% 13C; U-100% 15N]' . . 1 $Protein_AF-9 . . 750 . . uM . . . . 19516 2 2 'Histone-lysine N-methyltransferase, H3 lysine-79 specific' '[U-100% 13C; U-100% 15N]' . . 2 $Dot1L_Histone-lysine_N-methyltransferase . . 750 . . uM . . . . 19516 2 3 Bis-Tris 'natural abundance' . . . . . . 9.3 . . mM . . . . 19516 2 4 MES 'natural abundance' . . . . . . 15.8 . . mM . . . . 19516 2 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19516 2 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19516 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19516 2 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19516 2 9 '(3-acrylamidopropyl)-trimethylammonium chloride' 'natural abundance' . . . . . . 3.5 . . % . . . . 19516 2 10 'acrylic acid' 'natural abundance' . . . . . . 3.5 . . % . . . . 19516 2 stop_ save_ save_Dot1L-AF9_RDC_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Dot1L-AF9_RDC_sample_2 _Sample.Entry_ID 19516 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Protein AF-9' '[U-100% 13C; U-100% 15N]' . . 1 $Protein_AF-9 . . 750 . . uM . . . . 19516 3 2 'Histone-lysine N-methyltransferase, H3 lysine-79 specific' '[U-100% 13C; U-100% 15N]' . . 2 $Dot1L_Histone-lysine_N-methyltransferase . . 750 . . uM . . . . 19516 3 3 Bis-Tris 'natural abundance' . . . . . . 9.3 . . mM . . . . 19516 3 4 MES 'natural abundance' . . . . . . 15.8 . . mM . . . . 19516 3 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19516 3 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19516 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19516 3 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19516 3 9 '(3-acrylamidopropyl)-trimethylammonium chloride' 'natural abundance' . . . . . . 3.5 . . % . . . . 19516 3 10 acrylamide 'natural abundance' . . . . . . 3.5 . . % . . . . 19516 3 stop_ save_ ####################### # Sample conditions # ####################### save_Dot1L-AF9_NMR_Sample_Conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Dot1L-AF9_NMR_Sample_Conditions _Sample_condition_list.Entry_ID 19516 _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 19516 1 pH 6.0 . pH 19516 1 pressure 1 . atm 19516 1 temperature 298 . K 19516 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19516 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19516 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19516 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19516 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19516 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19516 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19516 _Software.ID 3 _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' . . 19516 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19516 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19516 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19516 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19516 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19516 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.34 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19516 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19516 5 'structure solution' 19516 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 19516 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 19516 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19516 6 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19516 _Software.ID 7 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19516 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19516 7 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 19516 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19516 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 19516 _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 . 600 Cryoprobe . . 19516 1 2 spectrometer_2 Varian INOVA . 600 Cryoprobe . . 19516 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 19516 _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 $Dot1L-AF9 isotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19516 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Dot1L-AF9 isotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19516 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $Dot1L-AF9 isotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19516 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Dot1L-AF9 isotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19516 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $Dot1L-AF9 isotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19516 1 6 '3D HNCO' no . . . . . . . . . . 1 $Dot1L-AF9 isotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19516 1 7 '3D HNCA' no . . . . . . . . . . 1 $Dot1L-AF9 isotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19516 1 8 '3D HNCACB' no . . . . . . . . . . 1 $Dot1L-AF9 isotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19516 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $Dot1L-AF9 isotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19516 1 10 '3D HNHA' no . . . . . . . . . . 1 $Dot1L-AF9 isotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19516 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Dot1L-AF9 isotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19516 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $Dot1L-AF9 isotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19516 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $Dot1L-AF9 isotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19516 1 14 '3D HNCO IPAP' no . . . . . . . . . . 2 $Dot1L-AF9_RDC_sample_1 anisotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19516 1 15 '3D HNCO IPAP' no . . . . . . . . . . 3 $Dot1L-AF9_RDC_sample_2 anisotropic . . 1 $Dot1L-AF9_NMR_Sample_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19516 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 19516 _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 internal indirect 0.251449530 . . . . . . . . . 19516 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19516 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . . . . . 19516 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 19516 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Dot1L-AF9_NMR_Sample_Conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $Dot1L-AF9 . 19516 1 3 '2D 1H-13C HSQC' 1 $Dot1L-AF9 . 19516 1 4 '3D CBCA(CO)NH' 1 $Dot1L-AF9 . 19516 1 5 '3D C(CO)NH' 1 $Dot1L-AF9 . 19516 1 6 '3D HNCO' 1 $Dot1L-AF9 . 19516 1 7 '3D HNCA' 1 $Dot1L-AF9 . 19516 1 8 '3D HNCACB' 1 $Dot1L-AF9 . 19516 1 9 '3D HCCH-TOCSY' 1 $Dot1L-AF9 . 19516 1 10 '3D HNHA' 1 $Dot1L-AF9 . 19516 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 1 1 ASP C C 13 175.974 0.000 . 1 . . . A 500 ASP C . 19516 1 2 . 1 1 1 1 ASP CA C 13 54.070 0.000 . 1 . . . A 500 ASP CA . 19516 1 3 . 1 1 1 1 ASP CB C 13 41.855 0.000 . 1 . . . A 500 ASP CB . 19516 1 4 . 1 1 2 2 LYS H H 1 8.677 0.002 . 1 . . . A 501 LYS H . 19516 1 5 . 1 1 2 2 LYS HA H 1 4.007 0.002 . 1 . . . A 501 LYS HA . 19516 1 6 . 1 1 2 2 LYS HB2 H 1 1.872 0.012 . 1 . . . A 501 LYS HB2 . 19516 1 7 . 1 1 2 2 LYS HB3 H 1 1.872 0.012 . 1 . . . A 501 LYS HB3 . 19516 1 8 . 1 1 2 2 LYS HG2 H 1 1.473 0.003 . 1 . . . A 501 LYS HG2 . 19516 1 9 . 1 1 2 2 LYS HG3 H 1 1.473 0.003 . 1 . . . A 501 LYS HG3 . 19516 1 10 . 1 1 2 2 LYS HD2 H 1 1.631 0.002 . 1 . . . A 501 LYS HD2 . 19516 1 11 . 1 1 2 2 LYS HD3 H 1 1.752 0.007 . 1 . . . A 501 LYS HD3 . 19516 1 12 . 1 1 2 2 LYS HE2 H 1 3.018 0.003 . 1 . . . A 501 LYS HE2 . 19516 1 13 . 1 1 2 2 LYS HE3 H 1 3.018 0.003 . 1 . . . A 501 LYS HE3 . 19516 1 14 . 1 1 2 2 LYS C C 13 177.113 0.000 . 1 . . . A 501 LYS C . 19516 1 15 . 1 1 2 2 LYS CA C 13 59.115 0.000 . 1 . . . A 501 LYS CA . 19516 1 16 . 1 1 2 2 LYS CB C 13 32.793 0.023 . 1 . . . A 501 LYS CB . 19516 1 17 . 1 1 2 2 LYS CG C 13 24.909 0.079 . 1 . . . A 501 LYS CG . 19516 1 18 . 1 1 2 2 LYS CD C 13 28.839 0.073 . 1 . . . A 501 LYS CD . 19516 1 19 . 1 1 2 2 LYS CE C 13 42.274 0.128 . 1 . . . A 501 LYS CE . 19516 1 20 . 1 1 2 2 LYS N N 15 125.415 0.015 . 1 . . . A 501 LYS N . 19516 1 21 . 1 1 3 3 ALA H H 1 8.382 0.005 . 1 . . . A 502 ALA H . 19516 1 22 . 1 1 3 3 ALA HA H 1 4.240 0.005 . 1 . . . A 502 ALA HA . 19516 1 23 . 1 1 3 3 ALA HB1 H 1 1.490 0.000 . 1 . . . A 502 ALA HB1 . 19516 1 24 . 1 1 3 3 ALA HB2 H 1 1.490 0.000 . 1 . . . A 502 ALA HB2 . 19516 1 25 . 1 1 3 3 ALA HB3 H 1 1.490 0.000 . 1 . . . A 502 ALA HB3 . 19516 1 26 . 1 1 3 3 ALA C C 13 180.345 0.000 . 1 . . . A 502 ALA C . 19516 1 27 . 1 1 3 3 ALA CA C 13 54.738 0.020 . 1 . . . A 502 ALA CA . 19516 1 28 . 1 1 3 3 ALA CB C 13 18.172 0.000 . 1 . . . A 502 ALA CB . 19516 1 29 . 1 1 3 3 ALA N N 15 120.718 0.037 . 1 . . . A 502 ALA N . 19516 1 30 . 1 1 4 4 TYR H H 1 7.817 0.005 . 1 . . . A 503 TYR H . 19516 1 31 . 1 1 4 4 TYR HA H 1 4.543 0.003 . 1 . . . A 503 TYR HA . 19516 1 32 . 1 1 4 4 TYR HB2 H 1 2.918 0.012 . 1 . . . A 503 TYR HB2 . 19516 1 33 . 1 1 4 4 TYR HB3 H 1 3.252 0.001 . 1 . . . A 503 TYR HB3 . 19516 1 34 . 1 1 4 4 TYR HD1 H 1 7.172 0.000 . 1 . . . A 503 TYR HD1 . 19516 1 35 . 1 1 4 4 TYR HD2 H 1 7.172 0.000 . 1 . . . A 503 TYR HD2 . 19516 1 36 . 1 1 4 4 TYR HE1 H 1 6.739 0.000 . 1 . . . A 503 TYR HE1 . 19516 1 37 . 1 1 4 4 TYR HE2 H 1 6.739 0.000 . 1 . . . A 503 TYR HE2 . 19516 1 38 . 1 1 4 4 TYR C C 13 177.235 0.000 . 1 . . . A 503 TYR C . 19516 1 39 . 1 1 4 4 TYR CA C 13 60.020 0.125 . 1 . . . A 503 TYR CA . 19516 1 40 . 1 1 4 4 TYR CB C 13 38.707 0.033 . 1 . . . A 503 TYR CB . 19516 1 41 . 1 1 4 4 TYR CD1 C 13 132.827 0.000 . 1 . . . A 503 TYR CD1 . 19516 1 42 . 1 1 4 4 TYR CD2 C 13 132.827 0.000 . 1 . . . A 503 TYR CD2 . 19516 1 43 . 1 1 4 4 TYR CE1 C 13 117.810 0.000 . 1 . . . A 503 TYR CE1 . 19516 1 44 . 1 1 4 4 TYR CE2 C 13 117.810 0.000 . 1 . . . A 503 TYR CE2 . 19516 1 45 . 1 1 4 4 TYR N N 15 120.200 0.015 . 1 . . . A 503 TYR N . 19516 1 46 . 1 1 5 5 LEU H H 1 8.175 0.005 . 1 . . . A 504 LEU H . 19516 1 47 . 1 1 5 5 LEU HA H 1 3.857 0.005 . 1 . . . A 504 LEU HA . 19516 1 48 . 1 1 5 5 LEU HB2 H 1 1.530 0.003 . 1 . . . A 504 LEU HB2 . 19516 1 49 . 1 1 5 5 LEU HB3 H 1 1.839 0.010 . 1 . . . A 504 LEU HB3 . 19516 1 50 . 1 1 5 5 LEU HG H 1 0.611 0.004 . 1 . . . A 504 LEU HG . 19516 1 51 . 1 1 5 5 LEU HD11 H 1 0.854 0.000 . 1 . . . A 504 LEU HD11 . 19516 1 52 . 1 1 5 5 LEU HD12 H 1 0.854 0.000 . 1 . . . A 504 LEU HD12 . 19516 1 53 . 1 1 5 5 LEU HD13 H 1 0.854 0.000 . 1 . . . A 504 LEU HD13 . 19516 1 54 . 1 1 5 5 LEU HD21 H 1 0.858 0.010 . 1 . . . A 504 LEU HD21 . 19516 1 55 . 1 1 5 5 LEU HD22 H 1 0.858 0.010 . 1 . . . A 504 LEU HD22 . 19516 1 56 . 1 1 5 5 LEU HD23 H 1 0.858 0.010 . 1 . . . A 504 LEU HD23 . 19516 1 57 . 1 1 5 5 LEU C C 13 178.616 0.000 . 1 . . . A 504 LEU C . 19516 1 58 . 1 1 5 5 LEU CA C 13 58.200 0.029 . 1 . . . A 504 LEU CA . 19516 1 59 . 1 1 5 5 LEU CB C 13 41.066 0.050 . 1 . . . A 504 LEU CB . 19516 1 60 . 1 1 5 5 LEU CG C 13 26.752 0.179 . 1 . . . A 504 LEU CG . 19516 1 61 . 1 1 5 5 LEU CD1 C 13 23.163 0.041 . 1 . . . A 504 LEU CD1 . 19516 1 62 . 1 1 5 5 LEU CD2 C 13 25.099 0.083 . 1 . . . A 504 LEU CD2 . 19516 1 63 . 1 1 5 5 LEU N N 15 120.133 0.023 . 1 . . . A 504 LEU N . 19516 1 64 . 1 1 6 6 ASP H H 1 8.308 0.002 . 1 . . . A 505 ASP H . 19516 1 65 . 1 1 6 6 ASP HA H 1 4.307 0.003 . 1 . . . A 505 ASP HA . 19516 1 66 . 1 1 6 6 ASP HB2 H 1 2.593 0.002 . 1 . . . A 505 ASP HB2 . 19516 1 67 . 1 1 6 6 ASP HB3 H 1 2.814 0.003 . 1 . . . A 505 ASP HB3 . 19516 1 68 . 1 1 6 6 ASP C C 13 179.849 0.000 . 1 . . . A 505 ASP C . 19516 1 69 . 1 1 6 6 ASP CA C 13 57.578 0.000 . 1 . . . A 505 ASP CA . 19516 1 70 . 1 1 6 6 ASP CB C 13 39.811 0.000 . 1 . . . A 505 ASP CB . 19516 1 71 . 1 1 6 6 ASP N N 15 117.709 0.030 . 1 . . . A 505 ASP N . 19516 1 72 . 1 1 7 7 GLU H H 1 7.657 0.006 . 1 . . . A 506 GLU H . 19516 1 73 . 1 1 7 7 GLU HA H 1 4.038 0.003 . 1 . . . A 506 GLU HA . 19516 1 74 . 1 1 7 7 GLU HB2 H 1 2.001 0.001 . 1 . . . A 506 GLU HB2 . 19516 1 75 . 1 1 7 7 GLU HB3 H 1 2.272 0.001 . 1 . . . A 506 GLU HB3 . 19516 1 76 . 1 1 7 7 GLU HG2 H 1 2.067 0.002 . 1 . . . A 506 GLU HG2 . 19516 1 77 . 1 1 7 7 GLU HG3 H 1 2.500 0.003 . 1 . . . A 506 GLU HG3 . 19516 1 78 . 1 1 7 7 GLU C C 13 179.957 0.000 . 1 . . . A 506 GLU C . 19516 1 79 . 1 1 7 7 GLU CA C 13 59.786 0.000 . 1 . . . A 506 GLU CA . 19516 1 80 . 1 1 7 7 GLU CB C 13 29.644 0.047 . 1 . . . A 506 GLU CB . 19516 1 81 . 1 1 7 7 GLU CG C 13 36.570 0.028 . 1 . . . A 506 GLU CG . 19516 1 82 . 1 1 7 7 GLU N N 15 121.244 0.023 . 1 . . . A 506 GLU N . 19516 1 83 . 1 1 8 8 LEU H H 1 8.255 0.004 . 1 . . . A 507 LEU H . 19516 1 84 . 1 1 8 8 LEU HA H 1 3.860 0.003 . 1 . . . A 507 LEU HA . 19516 1 85 . 1 1 8 8 LEU HB2 H 1 1.136 0.004 . 1 . . . A 507 LEU HB2 . 19516 1 86 . 1 1 8 8 LEU HB3 H 1 1.861 0.003 . 1 . . . A 507 LEU HB3 . 19516 1 87 . 1 1 8 8 LEU HG H 1 1.225 0.007 . 1 . . . A 507 LEU HG . 19516 1 88 . 1 1 8 8 LEU HD21 H 1 0.607 0.002 . 1 . . . A 507 LEU HD21 . 19516 1 89 . 1 1 8 8 LEU HD22 H 1 0.607 0.002 . 1 . . . A 507 LEU HD22 . 19516 1 90 . 1 1 8 8 LEU HD23 H 1 0.607 0.002 . 1 . . . A 507 LEU HD23 . 19516 1 91 . 1 1 8 8 LEU C C 13 178.973 0.000 . 1 . . . A 507 LEU C . 19516 1 92 . 1 1 8 8 LEU CA C 13 57.925 0.174 . 1 . . . A 507 LEU CA . 19516 1 93 . 1 1 8 8 LEU CB C 13 41.882 0.050 . 1 . . . A 507 LEU CB . 19516 1 94 . 1 1 8 8 LEU CG C 13 25.727 0.064 . 1 . . . A 507 LEU CG . 19516 1 95 . 1 1 8 8 LEU CD2 C 13 23.415 0.076 . 1 . . . A 507 LEU CD2 . 19516 1 96 . 1 1 8 8 LEU N N 15 121.550 0.006 . 1 . . . A 507 LEU N . 19516 1 97 . 1 1 9 9 VAL H H 1 8.679 0.003 . 1 . . . A 508 VAL H . 19516 1 98 . 1 1 9 9 VAL HA H 1 3.522 0.003 . 1 . . . A 508 VAL HA . 19516 1 99 . 1 1 9 9 VAL HB H 1 2.171 0.004 . 1 . . . A 508 VAL HB . 19516 1 100 . 1 1 9 9 VAL HG11 H 1 0.965 0.003 . 1 . . . A 508 VAL HG11 . 19516 1 101 . 1 1 9 9 VAL HG12 H 1 0.965 0.003 . 1 . . . A 508 VAL HG12 . 19516 1 102 . 1 1 9 9 VAL HG13 H 1 0.965 0.003 . 1 . . . A 508 VAL HG13 . 19516 1 103 . 1 1 9 9 VAL HG21 H 1 1.057 0.002 . 1 . . . A 508 VAL HG21 . 19516 1 104 . 1 1 9 9 VAL HG22 H 1 1.057 0.002 . 1 . . . A 508 VAL HG22 . 19516 1 105 . 1 1 9 9 VAL HG23 H 1 1.057 0.002 . 1 . . . A 508 VAL HG23 . 19516 1 106 . 1 1 9 9 VAL C C 13 178.831 0.000 . 1 . . . A 508 VAL C . 19516 1 107 . 1 1 9 9 VAL CA C 13 67.098 0.032 . 1 . . . A 508 VAL CA . 19516 1 108 . 1 1 9 9 VAL CB C 13 31.988 0.000 . 1 . . . A 508 VAL CB . 19516 1 109 . 1 1 9 9 VAL CG1 C 13 21.096 0.068 . 1 . . . A 508 VAL CG1 . 19516 1 110 . 1 1 9 9 VAL CG2 C 13 23.547 0.044 . 1 . . . A 508 VAL CG2 . 19516 1 111 . 1 1 9 9 VAL N N 15 121.174 0.033 . 1 . . . A 508 VAL N . 19516 1 112 . 1 1 10 10 GLU H H 1 7.534 0.006 . 1 . . . A 509 GLU H . 19516 1 113 . 1 1 10 10 GLU HA H 1 4.286 0.005 . 1 . . . A 509 GLU HA . 19516 1 114 . 1 1 10 10 GLU HB2 H 1 2.024 0.002 . 1 . . . A 509 GLU HB2 . 19516 1 115 . 1 1 10 10 GLU HB3 H 1 2.107 0.000 . 1 . . . A 509 GLU HB3 . 19516 1 116 . 1 1 10 10 GLU HG2 H 1 2.285 0.003 . 1 . . . A 509 GLU HG2 . 19516 1 117 . 1 1 10 10 GLU HG3 H 1 2.387 0.002 . 1 . . . A 509 GLU HG3 . 19516 1 118 . 1 1 10 10 GLU C C 13 178.354 0.000 . 1 . . . A 509 GLU C . 19516 1 119 . 1 1 10 10 GLU CA C 13 58.837 0.111 . 1 . . . A 509 GLU CA . 19516 1 120 . 1 1 10 10 GLU CB C 13 28.859 0.177 . 1 . . . A 509 GLU CB . 19516 1 121 . 1 1 10 10 GLU CG C 13 35.311 0.001 . 1 . . . A 509 GLU CG . 19516 1 122 . 1 1 10 10 GLU N N 15 120.516 0.038 . 1 . . . A 509 GLU N . 19516 1 123 . 1 1 11 11 LEU H H 1 8.018 0.006 . 1 . . . A 510 LEU H . 19516 1 124 . 1 1 11 11 LEU HA H 1 4.141 0.008 . 1 . . . A 510 LEU HA . 19516 1 125 . 1 1 11 11 LEU HB2 H 1 1.667 0.008 . 1 . . . A 510 LEU HB2 . 19516 1 126 . 1 1 11 11 LEU HB3 H 1 2.010 0.005 . 1 . . . A 510 LEU HB3 . 19516 1 127 . 1 1 11 11 LEU HD11 H 1 0.952 0.006 . 1 . . . A 510 LEU HD11 . 19516 1 128 . 1 1 11 11 LEU HD12 H 1 0.952 0.006 . 1 . . . A 510 LEU HD12 . 19516 1 129 . 1 1 11 11 LEU HD13 H 1 0.952 0.006 . 1 . . . A 510 LEU HD13 . 19516 1 130 . 1 1 11 11 LEU C C 13 177.961 0.000 . 1 . . . A 510 LEU C . 19516 1 131 . 1 1 11 11 LEU CA C 13 57.722 0.060 . 1 . . . A 510 LEU CA . 19516 1 132 . 1 1 11 11 LEU CB C 13 41.776 0.068 . 1 . . . A 510 LEU CB . 19516 1 133 . 1 1 11 11 LEU CG C 13 27.328 0.000 . 1 . . . A 510 LEU CG . 19516 1 134 . 1 1 11 11 LEU CD1 C 13 23.651 0.054 . 1 . . . A 510 LEU CD1 . 19516 1 135 . 1 1 11 11 LEU CD2 C 13 26.139 0.000 . 1 . . . A 510 LEU CD2 . 19516 1 136 . 1 1 11 11 LEU N N 15 121.442 0.015 . 1 . . . A 510 LEU N . 19516 1 137 . 1 1 12 12 HIS H H 1 9.028 0.003 . 1 . . . A 511 HIS H . 19516 1 138 . 1 1 12 12 HIS HA H 1 3.708 0.002 . 1 . . . A 511 HIS HA . 19516 1 139 . 1 1 12 12 HIS HB2 H 1 3.123 0.001 . 1 . . . A 511 HIS HB2 . 19516 1 140 . 1 1 12 12 HIS HB3 H 1 3.419 0.002 . 1 . . . A 511 HIS HB3 . 19516 1 141 . 1 1 12 12 HIS HD2 H 1 6.476 0.000 . 1 . . . A 511 HIS HD2 . 19516 1 142 . 1 1 12 12 HIS HE1 H 1 7.858 0.000 . 1 . . . A 511 HIS HE1 . 19516 1 143 . 1 1 12 12 HIS C C 13 176.325 0.000 . 1 . . . A 511 HIS C . 19516 1 144 . 1 1 12 12 HIS CA C 13 62.252 0.067 . 1 . . . A 511 HIS CA . 19516 1 145 . 1 1 12 12 HIS CB C 13 31.459 0.081 . 1 . . . A 511 HIS CB . 19516 1 146 . 1 1 12 12 HIS CD2 C 13 117.012 0.000 . 1 . . . A 511 HIS CD2 . 19516 1 147 . 1 1 12 12 HIS CE1 C 13 137.626 0.000 . 1 . . . A 511 HIS CE1 . 19516 1 148 . 1 1 12 12 HIS N N 15 119.858 0.043 . 1 . . . A 511 HIS N . 19516 1 149 . 1 1 13 13 ARG H H 1 7.942 0.005 . 1 . . . A 512 ARG H . 19516 1 150 . 1 1 13 13 ARG HA H 1 3.859 0.005 . 1 . . . A 512 ARG HA . 19516 1 151 . 1 1 13 13 ARG HB2 H 1 2.032 0.007 . 1 . . . A 512 ARG HB2 . 19516 1 152 . 1 1 13 13 ARG HB3 H 1 2.032 0.007 . 1 . . . A 512 ARG HB3 . 19516 1 153 . 1 1 13 13 ARG HG2 H 1 1.589 0.006 . 1 . . . A 512 ARG HG2 . 19516 1 154 . 1 1 13 13 ARG HG3 H 1 1.805 0.007 . 1 . . . A 512 ARG HG3 . 19516 1 155 . 1 1 13 13 ARG HD2 H 1 3.163 0.007 . 1 . . . A 512 ARG HD2 . 19516 1 156 . 1 1 13 13 ARG HD3 H 1 3.280 0.007 . 1 . . . A 512 ARG HD3 . 19516 1 157 . 1 1 13 13 ARG C C 13 179.801 0.000 . 1 . . . A 512 ARG C . 19516 1 158 . 1 1 13 13 ARG CA C 13 59.584 0.000 . 1 . . . A 512 ARG CA . 19516 1 159 . 1 1 13 13 ARG CB C 13 30.154 0.000 . 1 . . . A 512 ARG CB . 19516 1 160 . 1 1 13 13 ARG CG C 13 27.345 0.025 . 1 . . . A 512 ARG CG . 19516 1 161 . 1 1 13 13 ARG CD C 13 43.350 0.000 . 1 . . . A 512 ARG CD . 19516 1 162 . 1 1 13 13 ARG N N 15 117.523 0.047 . 1 . . . A 512 ARG N . 19516 1 163 . 1 1 14 14 ARG H H 1 7.845 0.005 . 1 . . . A 513 ARG H . 19516 1 164 . 1 1 14 14 ARG HA H 1 4.041 0.003 . 1 . . . A 513 ARG HA . 19516 1 165 . 1 1 14 14 ARG HB2 H 1 1.948 0.004 . 1 . . . A 513 ARG HB2 . 19516 1 166 . 1 1 14 14 ARG HB3 H 1 1.948 0.004 . 1 . . . A 513 ARG HB3 . 19516 1 167 . 1 1 14 14 ARG HD2 H 1 3.162 0.000 . 1 . . . A 513 ARG HD2 . 19516 1 168 . 1 1 14 14 ARG HD3 H 1 3.245 0.001 . 1 . . . A 513 ARG HD3 . 19516 1 169 . 1 1 14 14 ARG C C 13 179.852 0.000 . 1 . . . A 513 ARG C . 19516 1 170 . 1 1 14 14 ARG CA C 13 58.766 0.035 . 1 . . . A 513 ARG CA . 19516 1 171 . 1 1 14 14 ARG CB C 13 30.582 0.037 . 1 . . . A 513 ARG CB . 19516 1 172 . 1 1 14 14 ARG CG C 13 27.363 0.000 . 1 . . . A 513 ARG CG . 19516 1 173 . 1 1 14 14 ARG CD C 13 43.367 0.000 . 1 . . . A 513 ARG CD . 19516 1 174 . 1 1 14 14 ARG N N 15 117.870 0.019 . 1 . . . A 513 ARG N . 19516 1 175 . 1 1 15 15 LEU H H 1 8.753 0.002 . 1 . . . A 514 LEU H . 19516 1 176 . 1 1 15 15 LEU HA H 1 4.031 0.004 . 1 . . . A 514 LEU HA . 19516 1 177 . 1 1 15 15 LEU HB2 H 1 1.324 0.002 . 1 . . . A 514 LEU HB2 . 19516 1 178 . 1 1 15 15 LEU HB3 H 1 1.960 0.004 . 1 . . . A 514 LEU HB3 . 19516 1 179 . 1 1 15 15 LEU HG H 1 2.011 0.005 . 1 . . . A 514 LEU HG . 19516 1 180 . 1 1 15 15 LEU HD11 H 1 1.054 0.003 . 1 . . . A 514 LEU HD11 . 19516 1 181 . 1 1 15 15 LEU HD12 H 1 1.054 0.003 . 1 . . . A 514 LEU HD12 . 19516 1 182 . 1 1 15 15 LEU HD13 H 1 1.054 0.003 . 1 . . . A 514 LEU HD13 . 19516 1 183 . 1 1 15 15 LEU HD21 H 1 0.972 0.005 . 1 . . . A 514 LEU HD21 . 19516 1 184 . 1 1 15 15 LEU HD22 H 1 0.972 0.005 . 1 . . . A 514 LEU HD22 . 19516 1 185 . 1 1 15 15 LEU HD23 H 1 0.972 0.005 . 1 . . . A 514 LEU HD23 . 19516 1 186 . 1 1 15 15 LEU C C 13 178.922 0.000 . 1 . . . A 514 LEU C . 19516 1 187 . 1 1 15 15 LEU CA C 13 57.671 0.000 . 1 . . . A 514 LEU CA . 19516 1 188 . 1 1 15 15 LEU CB C 13 41.926 0.024 . 1 . . . A 514 LEU CB . 19516 1 189 . 1 1 15 15 LEU CG C 13 26.824 0.109 . 1 . . . A 514 LEU CG . 19516 1 190 . 1 1 15 15 LEU CD1 C 13 27.977 0.072 . 1 . . . A 514 LEU CD1 . 19516 1 191 . 1 1 15 15 LEU CD2 C 13 24.627 0.084 . 1 . . . A 514 LEU CD2 . 19516 1 192 . 1 1 15 15 LEU N N 15 119.343 0.023 . 1 . . . A 514 LEU N . 19516 1 193 . 1 1 16 16 MET H H 1 7.810 0.004 . 1 . . . A 515 MET H . 19516 1 194 . 1 1 16 16 MET HA H 1 4.397 0.005 . 1 . . . A 515 MET HA . 19516 1 195 . 1 1 16 16 MET HB2 H 1 2.305 0.005 . 1 . . . A 515 MET HB2 . 19516 1 196 . 1 1 16 16 MET HB3 H 1 2.452 0.004 . 1 . . . A 515 MET HB3 . 19516 1 197 . 1 1 16 16 MET C C 13 177.921 0.000 . 1 . . . A 515 MET C . 19516 1 198 . 1 1 16 16 MET CA C 13 56.895 0.090 . 1 . . . A 515 MET CA . 19516 1 199 . 1 1 16 16 MET CB C 13 31.659 0.021 . 1 . . . A 515 MET CB . 19516 1 200 . 1 1 16 16 MET N N 15 115.167 0.026 . 1 . . . A 515 MET N . 19516 1 201 . 1 1 17 17 THR H H 1 7.269 0.003 . 1 . . . A 516 THR H . 19516 1 202 . 1 1 17 17 THR HA H 1 4.441 0.002 . 1 . . . A 516 THR HA . 19516 1 203 . 1 1 17 17 THR HB H 1 4.298 0.000 . 1 . . . A 516 THR HB . 19516 1 204 . 1 1 17 17 THR HG21 H 1 1.244 0.000 . 1 . . . A 516 THR HG21 . 19516 1 205 . 1 1 17 17 THR HG22 H 1 1.244 0.000 . 1 . . . A 516 THR HG22 . 19516 1 206 . 1 1 17 17 THR HG23 H 1 1.244 0.000 . 1 . . . A 516 THR HG23 . 19516 1 207 . 1 1 17 17 THR C C 13 174.390 0.000 . 1 . . . A 516 THR C . 19516 1 208 . 1 1 17 17 THR CA C 13 61.133 0.007 . 1 . . . A 516 THR CA . 19516 1 209 . 1 1 17 17 THR CB C 13 69.787 0.006 . 1 . . . A 516 THR CB . 19516 1 210 . 1 1 17 17 THR CG2 C 13 21.688 0.000 . 1 . . . A 516 THR CG2 . 19516 1 211 . 1 1 17 17 THR N N 15 106.551 0.018 . 1 . . . A 516 THR N . 19516 1 212 . 1 1 18 18 LEU H H 1 7.036 0.004 . 1 . . . A 517 LEU H . 19516 1 213 . 1 1 18 18 LEU HA H 1 4.283 0.002 . 1 . . . A 517 LEU HA . 19516 1 214 . 1 1 18 18 LEU HB2 H 1 1.664 0.006 . 1 . . . A 517 LEU HB2 . 19516 1 215 . 1 1 18 18 LEU HB3 H 1 1.788 0.005 . 1 . . . A 517 LEU HB3 . 19516 1 216 . 1 1 18 18 LEU HD11 H 1 1.041 0.002 . 1 . . . A 517 LEU HD11 . 19516 1 217 . 1 1 18 18 LEU HD12 H 1 1.041 0.002 . 1 . . . A 517 LEU HD12 . 19516 1 218 . 1 1 18 18 LEU HD13 H 1 1.041 0.002 . 1 . . . A 517 LEU HD13 . 19516 1 219 . 1 1 18 18 LEU HD21 H 1 0.882 0.004 . 1 . . . A 517 LEU HD21 . 19516 1 220 . 1 1 18 18 LEU HD22 H 1 0.882 0.004 . 1 . . . A 517 LEU HD22 . 19516 1 221 . 1 1 18 18 LEU HD23 H 1 0.882 0.004 . 1 . . . A 517 LEU HD23 . 19516 1 222 . 1 1 18 18 LEU C C 13 177.241 0.000 . 1 . . . A 517 LEU C . 19516 1 223 . 1 1 18 18 LEU CA C 13 56.137 0.038 . 1 . . . A 517 LEU CA . 19516 1 224 . 1 1 18 18 LEU CB C 13 42.974 0.048 . 1 . . . A 517 LEU CB . 19516 1 225 . 1 1 18 18 LEU CD1 C 13 24.920 0.042 . 1 . . . A 517 LEU CD1 . 19516 1 226 . 1 1 18 18 LEU CD2 C 13 25.922 0.028 . 1 . . . A 517 LEU CD2 . 19516 1 227 . 1 1 18 18 LEU N N 15 123.805 0.024 . 1 . . . A 517 LEU N . 19516 1 228 . 1 1 19 19 ARG H H 1 9.040 0.002 . 1 . . . A 518 ARG H . 19516 1 229 . 1 1 19 19 ARG HA H 1 4.598 0.004 . 1 . . . A 518 ARG HA . 19516 1 230 . 1 1 19 19 ARG HB2 H 1 1.714 0.002 . 1 . . . A 518 ARG HB2 . 19516 1 231 . 1 1 19 19 ARG HB3 H 1 2.007 0.004 . 1 . . . A 518 ARG HB3 . 19516 1 232 . 1 1 19 19 ARG HG2 H 1 1.655 0.002 . 1 . . . A 518 ARG HG2 . 19516 1 233 . 1 1 19 19 ARG HG3 H 1 1.655 0.002 . 1 . . . A 518 ARG HG3 . 19516 1 234 . 1 1 19 19 ARG HD2 H 1 3.154 0.003 . 1 . . . A 518 ARG HD2 . 19516 1 235 . 1 1 19 19 ARG HD3 H 1 3.265 0.001 . 1 . . . A 518 ARG HD3 . 19516 1 236 . 1 1 19 19 ARG C C 13 175.915 0.000 . 1 . . . A 518 ARG C . 19516 1 237 . 1 1 19 19 ARG CA C 13 54.831 0.030 . 1 . . . A 518 ARG CA . 19516 1 238 . 1 1 19 19 ARG CB C 13 32.442 0.000 . 1 . . . A 518 ARG CB . 19516 1 239 . 1 1 19 19 ARG CG C 13 26.655 0.015 . 1 . . . A 518 ARG CG . 19516 1 240 . 1 1 19 19 ARG CD C 13 43.029 0.008 . 1 . . . A 518 ARG CD . 19516 1 241 . 1 1 19 19 ARG N N 15 122.669 0.029 . 1 . . . A 518 ARG N . 19516 1 242 . 1 1 20 20 GLU H H 1 7.172 0.006 . 1 . . . A 519 GLU H . 19516 1 243 . 1 1 20 20 GLU HA H 1 4.295 0.001 . 1 . . . A 519 GLU HA . 19516 1 244 . 1 1 20 20 GLU HB2 H 1 1.962 0.001 . 1 . . . A 519 GLU HB2 . 19516 1 245 . 1 1 20 20 GLU HB3 H 1 1.962 0.001 . 1 . . . A 519 GLU HB3 . 19516 1 246 . 1 1 20 20 GLU HG2 H 1 2.449 0.004 . 1 . . . A 519 GLU HG2 . 19516 1 247 . 1 1 20 20 GLU HG3 H 1 2.449 0.004 . 1 . . . A 519 GLU HG3 . 19516 1 248 . 1 1 20 20 GLU C C 13 177.016 0.000 . 1 . . . A 519 GLU C . 19516 1 249 . 1 1 20 20 GLU CA C 13 57.380 0.022 . 1 . . . A 519 GLU CA . 19516 1 250 . 1 1 20 20 GLU CB C 13 30.017 0.014 . 1 . . . A 519 GLU CB . 19516 1 251 . 1 1 20 20 GLU CG C 13 36.714 0.000 . 1 . . . A 519 GLU CG . 19516 1 252 . 1 1 20 20 GLU N N 15 121.385 0.073 . 1 . . . A 519 GLU N . 19516 1 253 . 1 1 21 21 ARG H H 1 8.918 0.005 . 1 . . . A 520 ARG H . 19516 1 254 . 1 1 21 21 ARG HA H 1 3.811 0.003 . 1 . . . A 520 ARG HA . 19516 1 255 . 1 1 21 21 ARG HB2 H 1 1.953 0.004 . 1 . . . A 520 ARG HB2 . 19516 1 256 . 1 1 21 21 ARG HB3 H 1 1.953 0.004 . 1 . . . A 520 ARG HB3 . 19516 1 257 . 1 1 21 21 ARG HG2 H 1 1.670 0.004 . 1 . . . A 520 ARG HG2 . 19516 1 258 . 1 1 21 21 ARG HG3 H 1 1.880 0.005 . 1 . . . A 520 ARG HG3 . 19516 1 259 . 1 1 21 21 ARG HD2 H 1 3.257 0.003 . 1 . . . A 520 ARG HD2 . 19516 1 260 . 1 1 21 21 ARG HD3 H 1 3.257 0.003 . 1 . . . A 520 ARG HD3 . 19516 1 261 . 1 1 21 21 ARG C C 13 177.930 0.000 . 1 . . . A 520 ARG C . 19516 1 262 . 1 1 21 21 ARG CA C 13 60.867 0.142 . 1 . . . A 520 ARG CA . 19516 1 263 . 1 1 21 21 ARG CB C 13 30.187 0.022 . 1 . . . A 520 ARG CB . 19516 1 264 . 1 1 21 21 ARG CG C 13 27.725 0.084 . 1 . . . A 520 ARG CG . 19516 1 265 . 1 1 21 21 ARG CD C 13 43.527 0.026 . 1 . . . A 520 ARG CD . 19516 1 266 . 1 1 21 21 ARG N N 15 128.171 0.029 . 1 . . . A 520 ARG N . 19516 1 267 . 1 1 22 22 HIS H H 1 9.073 0.019 . 1 . . . A 521 HIS H . 19516 1 268 . 1 1 22 22 HIS HA H 1 4.402 0.001 . 1 . . . A 521 HIS HA . 19516 1 269 . 1 1 22 22 HIS HB2 H 1 3.222 0.003 . 1 . . . A 521 HIS HB2 . 19516 1 270 . 1 1 22 22 HIS HB3 H 1 3.357 0.003 . 1 . . . A 521 HIS HB3 . 19516 1 271 . 1 1 22 22 HIS HD2 H 1 7.147 0.000 . 1 . . . A 521 HIS HD2 . 19516 1 272 . 1 1 22 22 HIS HE1 H 1 8.225 0.000 . 1 . . . A 521 HIS HE1 . 19516 1 273 . 1 1 22 22 HIS C C 13 177.637 0.000 . 1 . . . A 521 HIS C . 19516 1 274 . 1 1 22 22 HIS CA C 13 59.645 0.117 . 1 . . . A 521 HIS CA . 19516 1 275 . 1 1 22 22 HIS CB C 13 28.425 0.083 . 1 . . . A 521 HIS CB . 19516 1 276 . 1 1 22 22 HIS CD2 C 13 119.570 0.000 . 1 . . . A 521 HIS CD2 . 19516 1 277 . 1 1 22 22 HIS CE1 C 13 137.406 0.000 . 1 . . . A 521 HIS CE1 . 19516 1 278 . 1 1 22 22 HIS N N 15 116.808 0.056 . 1 . . . A 521 HIS N . 19516 1 279 . 1 1 23 23 ILE H H 1 7.088 0.041 . 1 . . . A 522 ILE H . 19516 1 280 . 1 1 23 23 ILE HA H 1 3.896 0.003 . 1 . . . A 522 ILE HA . 19516 1 281 . 1 1 23 23 ILE HB H 1 1.782 0.002 . 1 . . . A 522 ILE HB . 19516 1 282 . 1 1 23 23 ILE HG12 H 1 1.002 0.005 . 1 . . . A 522 ILE HG12 . 19516 1 283 . 1 1 23 23 ILE HG13 H 1 1.289 0.002 . 1 . . . A 522 ILE HG13 . 19516 1 284 . 1 1 23 23 ILE HG21 H 1 0.923 0.003 . 1 . . . A 522 ILE HG21 . 19516 1 285 . 1 1 23 23 ILE HG22 H 1 0.923 0.003 . 1 . . . A 522 ILE HG22 . 19516 1 286 . 1 1 23 23 ILE HG23 H 1 0.923 0.003 . 1 . . . A 522 ILE HG23 . 19516 1 287 . 1 1 23 23 ILE HD11 H 1 0.868 0.003 . 1 . . . A 522 ILE HD11 . 19516 1 288 . 1 1 23 23 ILE HD12 H 1 0.868 0.003 . 1 . . . A 522 ILE HD12 . 19516 1 289 . 1 1 23 23 ILE HD13 H 1 0.868 0.003 . 1 . . . A 522 ILE HD13 . 19516 1 290 . 1 1 23 23 ILE C C 13 177.866 0.000 . 1 . . . A 522 ILE C . 19516 1 291 . 1 1 23 23 ILE CA C 13 63.397 0.048 . 1 . . . A 522 ILE CA . 19516 1 292 . 1 1 23 23 ILE CB C 13 37.650 0.044 . 1 . . . A 522 ILE CB . 19516 1 293 . 1 1 23 23 ILE CG1 C 13 28.247 0.106 . 1 . . . A 522 ILE CG1 . 19516 1 294 . 1 1 23 23 ILE CG2 C 13 18.274 0.034 . 1 . . . A 522 ILE CG2 . 19516 1 295 . 1 1 23 23 ILE CD1 C 13 12.694 0.069 . 1 . . . A 522 ILE CD1 . 19516 1 296 . 1 1 23 23 ILE N N 15 119.592 0.035 . 1 . . . A 522 ILE N . 19516 1 297 . 1 1 24 24 LEU H H 1 7.905 0.007 . 1 . . . A 523 LEU H . 19516 1 298 . 1 1 24 24 LEU HA H 1 3.819 0.006 . 1 . . . A 523 LEU HA . 19516 1 299 . 1 1 24 24 LEU HB2 H 1 1.022 0.005 . 1 . . . A 523 LEU HB2 . 19516 1 300 . 1 1 24 24 LEU HB3 H 1 1.764 0.011 . 1 . . . A 523 LEU HB3 . 19516 1 301 . 1 1 24 24 LEU HG H 1 0.823 0.000 . 1 . . . A 523 LEU HG . 19516 1 302 . 1 1 24 24 LEU HD11 H 1 0.731 0.003 . 1 . . . A 523 LEU HD11 . 19516 1 303 . 1 1 24 24 LEU HD12 H 1 0.731 0.003 . 1 . . . A 523 LEU HD12 . 19516 1 304 . 1 1 24 24 LEU HD13 H 1 0.731 0.003 . 1 . . . A 523 LEU HD13 . 19516 1 305 . 1 1 24 24 LEU HD21 H 1 0.605 0.001 . 1 . . . A 523 LEU HD21 . 19516 1 306 . 1 1 24 24 LEU HD22 H 1 0.605 0.001 . 1 . . . A 523 LEU HD22 . 19516 1 307 . 1 1 24 24 LEU HD23 H 1 0.605 0.001 . 1 . . . A 523 LEU HD23 . 19516 1 308 . 1 1 24 24 LEU C C 13 178.379 0.000 . 1 . . . A 523 LEU C . 19516 1 309 . 1 1 24 24 LEU CA C 13 58.386 0.126 . 1 . . . A 523 LEU CA . 19516 1 310 . 1 1 24 24 LEU CB C 13 41.318 0.020 . 1 . . . A 523 LEU CB . 19516 1 311 . 1 1 24 24 LEU CD1 C 13 25.500 0.041 . 1 . . . A 523 LEU CD1 . 19516 1 312 . 1 1 24 24 LEU N N 15 119.719 0.021 . 1 . . . A 523 LEU N . 19516 1 313 . 1 1 25 25 GLN H H 1 8.265 0.006 . 1 . . . A 524 GLN H . 19516 1 314 . 1 1 25 25 GLN HA H 1 3.552 0.003 . 1 . . . A 524 GLN HA . 19516 1 315 . 1 1 25 25 GLN HB2 H 1 2.064 0.016 . 1 . . . A 524 GLN HB2 . 19516 1 316 . 1 1 25 25 GLN HB3 H 1 2.268 0.006 . 1 . . . A 524 GLN HB3 . 19516 1 317 . 1 1 25 25 GLN HG2 H 1 2.073 0.002 . 1 . . . A 524 GLN HG2 . 19516 1 318 . 1 1 25 25 GLN HG3 H 1 2.326 0.004 . 1 . . . A 524 GLN HG3 . 19516 1 319 . 1 1 25 25 GLN C C 13 177.441 0.000 . 1 . . . A 524 GLN C . 19516 1 320 . 1 1 25 25 GLN CA C 13 58.259 0.000 . 1 . . . A 524 GLN CA . 19516 1 321 . 1 1 25 25 GLN CB C 13 29.097 0.067 . 1 . . . A 524 GLN CB . 19516 1 322 . 1 1 25 25 GLN CG C 13 33.829 0.011 . 1 . . . A 524 GLN CG . 19516 1 323 . 1 1 25 25 GLN N N 15 116.700 0.030 . 1 . . . A 524 GLN N . 19516 1 324 . 1 1 26 26 GLN H H 1 7.300 0.011 . 1 . . . A 525 GLN H . 19516 1 325 . 1 1 26 26 GLN HA H 1 3.777 0.002 . 1 . . . A 525 GLN HA . 19516 1 326 . 1 1 26 26 GLN HB2 H 1 1.282 0.009 . 1 . . . A 525 GLN HB2 . 19516 1 327 . 1 1 26 26 GLN HB3 H 1 1.837 0.008 . 1 . . . A 525 GLN HB3 . 19516 1 328 . 1 1 26 26 GLN HG2 H 1 1.933 0.004 . 1 . . . A 525 GLN HG2 . 19516 1 329 . 1 1 26 26 GLN HG3 H 1 2.135 0.003 . 1 . . . A 525 GLN HG3 . 19516 1 330 . 1 1 26 26 GLN C C 13 179.278 0.000 . 1 . . . A 525 GLN C . 19516 1 331 . 1 1 26 26 GLN CA C 13 58.986 0.000 . 1 . . . A 525 GLN CA . 19516 1 332 . 1 1 26 26 GLN CB C 13 28.545 0.014 . 1 . . . A 525 GLN CB . 19516 1 333 . 1 1 26 26 GLN CG C 13 33.954 0.054 . 1 . . . A 525 GLN CG . 19516 1 334 . 1 1 26 26 GLN N N 15 117.608 0.021 . 1 . . . A 525 GLN N . 19516 1 335 . 1 1 27 27 ILE H H 1 8.039 0.006 . 1 . . . A 526 ILE H . 19516 1 336 . 1 1 27 27 ILE HA H 1 3.434 0.002 . 1 . . . A 526 ILE HA . 19516 1 337 . 1 1 27 27 ILE HB H 1 2.010 0.001 . 1 . . . A 526 ILE HB . 19516 1 338 . 1 1 27 27 ILE HG12 H 1 0.994 0.006 . 1 . . . A 526 ILE HG12 . 19516 1 339 . 1 1 27 27 ILE HG13 H 1 1.927 0.003 . 1 . . . A 526 ILE HG13 . 19516 1 340 . 1 1 27 27 ILE HG21 H 1 0.815 0.006 . 1 . . . A 526 ILE HG21 . 19516 1 341 . 1 1 27 27 ILE HG22 H 1 0.815 0.006 . 1 . . . A 526 ILE HG22 . 19516 1 342 . 1 1 27 27 ILE HG23 H 1 0.815 0.006 . 1 . . . A 526 ILE HG23 . 19516 1 343 . 1 1 27 27 ILE HD11 H 1 0.823 0.003 . 1 . . . A 526 ILE HD11 . 19516 1 344 . 1 1 27 27 ILE HD12 H 1 0.823 0.003 . 1 . . . A 526 ILE HD12 . 19516 1 345 . 1 1 27 27 ILE HD13 H 1 0.823 0.003 . 1 . . . A 526 ILE HD13 . 19516 1 346 . 1 1 27 27 ILE C C 13 176.638 0.000 . 1 . . . A 526 ILE C . 19516 1 347 . 1 1 27 27 ILE CA C 13 66.116 0.032 . 1 . . . A 526 ILE CA . 19516 1 348 . 1 1 27 27 ILE CB C 13 37.581 0.031 . 1 . . . A 526 ILE CB . 19516 1 349 . 1 1 27 27 ILE CG1 C 13 29.343 0.067 . 1 . . . A 526 ILE CG1 . 19516 1 350 . 1 1 27 27 ILE CG2 C 13 17.392 0.083 . 1 . . . A 526 ILE CG2 . 19516 1 351 . 1 1 27 27 ILE CD1 C 13 14.523 0.190 . 1 . . . A 526 ILE CD1 . 19516 1 352 . 1 1 27 27 ILE N N 15 119.883 0.043 . 1 . . . A 526 ILE N . 19516 1 353 . 1 1 28 28 VAL H H 1 8.052 0.003 . 1 . . . A 527 VAL H . 19516 1 354 . 1 1 28 28 VAL HA H 1 2.791 0.004 . 1 . . . A 527 VAL HA . 19516 1 355 . 1 1 28 28 VAL HB H 1 1.575 0.002 . 1 . . . A 527 VAL HB . 19516 1 356 . 1 1 28 28 VAL HG11 H 1 -0.027 0.003 . 1 . . . A 527 VAL HG11 . 19516 1 357 . 1 1 28 28 VAL HG12 H 1 -0.027 0.003 . 1 . . . A 527 VAL HG12 . 19516 1 358 . 1 1 28 28 VAL HG13 H 1 -0.027 0.003 . 1 . . . A 527 VAL HG13 . 19516 1 359 . 1 1 28 28 VAL HG21 H 1 0.347 0.002 . 1 . . . A 527 VAL HG21 . 19516 1 360 . 1 1 28 28 VAL HG22 H 1 0.347 0.002 . 1 . . . A 527 VAL HG22 . 19516 1 361 . 1 1 28 28 VAL HG23 H 1 0.347 0.002 . 1 . . . A 527 VAL HG23 . 19516 1 362 . 1 1 28 28 VAL C C 13 176.957 0.000 . 1 . . . A 527 VAL C . 19516 1 363 . 1 1 28 28 VAL CA C 13 66.371 0.064 . 1 . . . A 527 VAL CA . 19516 1 364 . 1 1 28 28 VAL CB C 13 30.623 0.025 . 1 . . . A 527 VAL CB . 19516 1 365 . 1 1 28 28 VAL CG1 C 13 19.914 0.031 . 1 . . . A 527 VAL CG1 . 19516 1 366 . 1 1 28 28 VAL CG2 C 13 22.980 0.126 . 1 . . . A 527 VAL CG2 . 19516 1 367 . 1 1 28 28 VAL N N 15 119.535 0.050 . 1 . . . A 527 VAL N . 19516 1 368 . 1 1 29 29 ASN H H 1 8.172 0.006 . 1 . . . A 528 ASN H . 19516 1 369 . 1 1 29 29 ASN HA H 1 4.138 0.002 . 1 . . . A 528 ASN HA . 19516 1 370 . 1 1 29 29 ASN HB2 H 1 2.688 0.003 . 1 . . . A 528 ASN HB2 . 19516 1 371 . 1 1 29 29 ASN HB3 H 1 2.763 0.001 . 1 . . . A 528 ASN HB3 . 19516 1 372 . 1 1 29 29 ASN C C 13 178.148 0.000 . 1 . . . A 528 ASN C . 19516 1 373 . 1 1 29 29 ASN CA C 13 55.696 0.000 . 1 . . . A 528 ASN CA . 19516 1 374 . 1 1 29 29 ASN CB C 13 37.192 0.015 . 1 . . . A 528 ASN CB . 19516 1 375 . 1 1 29 29 ASN N N 15 117.957 0.036 . 1 . . . A 528 ASN N . 19516 1 376 . 1 1 30 30 LEU H H 1 7.666 0.007 . 1 . . . A 529 LEU H . 19516 1 377 . 1 1 30 30 LEU HA H 1 4.166 0.010 . 1 . . . A 529 LEU HA . 19516 1 378 . 1 1 30 30 LEU HB2 H 1 1.941 0.006 . 1 . . . A 529 LEU HB2 . 19516 1 379 . 1 1 30 30 LEU HB3 H 1 1.941 0.006 . 1 . . . A 529 LEU HB3 . 19516 1 380 . 1 1 30 30 LEU HG H 1 1.421 0.006 . 1 . . . A 529 LEU HG . 19516 1 381 . 1 1 30 30 LEU HD11 H 1 0.988 0.008 . 1 . . . A 529 LEU HD11 . 19516 1 382 . 1 1 30 30 LEU HD12 H 1 0.988 0.008 . 1 . . . A 529 LEU HD12 . 19516 1 383 . 1 1 30 30 LEU HD13 H 1 0.988 0.008 . 1 . . . A 529 LEU HD13 . 19516 1 384 . 1 1 30 30 LEU HD21 H 1 0.926 0.004 . 1 . . . A 529 LEU HD21 . 19516 1 385 . 1 1 30 30 LEU HD22 H 1 0.926 0.004 . 1 . . . A 529 LEU HD22 . 19516 1 386 . 1 1 30 30 LEU HD23 H 1 0.926 0.004 . 1 . . . A 529 LEU HD23 . 19516 1 387 . 1 1 30 30 LEU C C 13 178.908 0.000 . 1 . . . A 529 LEU C . 19516 1 388 . 1 1 30 30 LEU CA C 13 57.870 0.130 . 1 . . . A 529 LEU CA . 19516 1 389 . 1 1 30 30 LEU CB C 13 42.512 0.106 . 1 . . . A 529 LEU CB . 19516 1 390 . 1 1 30 30 LEU CG C 13 27.304 0.123 . 1 . . . A 529 LEU CG . 19516 1 391 . 1 1 30 30 LEU CD1 C 13 26.911 0.083 . 1 . . . A 529 LEU CD1 . 19516 1 392 . 1 1 30 30 LEU CD2 C 13 23.608 0.020 . 1 . . . A 529 LEU CD2 . 19516 1 393 . 1 1 30 30 LEU N N 15 120.654 0.008 . 1 . . . A 529 LEU N . 19516 1 394 . 1 1 31 31 ILE H H 1 8.543 0.005 . 1 . . . A 530 ILE H . 19516 1 395 . 1 1 31 31 ILE HA H 1 3.677 0.002 . 1 . . . A 530 ILE HA . 19516 1 396 . 1 1 31 31 ILE HB H 1 1.782 0.003 . 1 . . . A 530 ILE HB . 19516 1 397 . 1 1 31 31 ILE HG12 H 1 -0.089 0.008 . 1 . . . A 530 ILE HG12 . 19516 1 398 . 1 1 31 31 ILE HG13 H 1 1.481 0.004 . 1 . . . A 530 ILE HG13 . 19516 1 399 . 1 1 31 31 ILE HG21 H 1 0.669 0.002 . 1 . . . A 530 ILE HG21 . 19516 1 400 . 1 1 31 31 ILE HG22 H 1 0.669 0.002 . 1 . . . A 530 ILE HG22 . 19516 1 401 . 1 1 31 31 ILE HG23 H 1 0.669 0.002 . 1 . . . A 530 ILE HG23 . 19516 1 402 . 1 1 31 31 ILE HD11 H 1 0.230 0.002 . 1 . . . A 530 ILE HD11 . 19516 1 403 . 1 1 31 31 ILE HD12 H 1 0.230 0.002 . 1 . . . A 530 ILE HD12 . 19516 1 404 . 1 1 31 31 ILE HD13 H 1 0.230 0.002 . 1 . . . A 530 ILE HD13 . 19516 1 405 . 1 1 31 31 ILE C C 13 180.762 0.000 . 1 . . . A 530 ILE C . 19516 1 406 . 1 1 31 31 ILE CA C 13 61.592 0.000 . 1 . . . A 530 ILE CA . 19516 1 407 . 1 1 31 31 ILE CB C 13 34.726 0.051 . 1 . . . A 530 ILE CB . 19516 1 408 . 1 1 31 31 ILE CG1 C 13 26.255 0.041 . 1 . . . A 530 ILE CG1 . 19516 1 409 . 1 1 31 31 ILE CG2 C 13 18.432 0.025 . 1 . . . A 530 ILE CG2 . 19516 1 410 . 1 1 31 31 ILE CD1 C 13 10.152 0.014 . 1 . . . A 530 ILE CD1 . 19516 1 411 . 1 1 31 31 ILE N N 15 117.213 0.046 . 1 . . . A 530 ILE N . 19516 1 412 . 1 1 32 32 GLU H H 1 9.276 0.005 . 1 . . . A 531 GLU H . 19516 1 413 . 1 1 32 32 GLU HA H 1 3.940 0.004 . 1 . . . A 531 GLU HA . 19516 1 414 . 1 1 32 32 GLU HB2 H 1 2.089 0.006 . 1 . . . A 531 GLU HB2 . 19516 1 415 . 1 1 32 32 GLU HB3 H 1 2.089 0.006 . 1 . . . A 531 GLU HB3 . 19516 1 416 . 1 1 32 32 GLU HG2 H 1 1.998 0.001 . 1 . . . A 531 GLU HG2 . 19516 1 417 . 1 1 32 32 GLU HG3 H 1 1.998 0.001 . 1 . . . A 531 GLU HG3 . 19516 1 418 . 1 1 32 32 GLU C C 13 178.698 0.000 . 1 . . . A 531 GLU C . 19516 1 419 . 1 1 32 32 GLU CA C 13 59.763 0.036 . 1 . . . A 531 GLU CA . 19516 1 420 . 1 1 32 32 GLU CB C 13 27.691 0.157 . 1 . . . A 531 GLU CB . 19516 1 421 . 1 1 32 32 GLU CG C 13 35.078 0.063 . 1 . . . A 531 GLU CG . 19516 1 422 . 1 1 32 32 GLU N N 15 124.050 0.047 . 1 . . . A 531 GLU N . 19516 1 423 . 1 1 33 33 GLU H H 1 7.003 0.011 . 1 . . . A 532 GLU H . 19516 1 424 . 1 1 33 33 GLU HA H 1 3.995 0.006 . 1 . . . A 532 GLU HA . 19516 1 425 . 1 1 33 33 GLU HB2 H 1 2.183 0.014 . 1 . . . A 532 GLU HB2 . 19516 1 426 . 1 1 33 33 GLU HB3 H 1 2.183 0.014 . 1 . . . A 532 GLU HB3 . 19516 1 427 . 1 1 33 33 GLU HG2 H 1 2.343 0.003 . 1 . . . A 532 GLU HG2 . 19516 1 428 . 1 1 33 33 GLU HG3 H 1 2.498 0.001 . 1 . . . A 532 GLU HG3 . 19516 1 429 . 1 1 33 33 GLU C C 13 178.030 0.000 . 1 . . . A 532 GLU C . 19516 1 430 . 1 1 33 33 GLU CA C 13 58.903 0.000 . 1 . . . A 532 GLU CA . 19516 1 431 . 1 1 33 33 GLU CB C 13 29.666 0.021 . 1 . . . A 532 GLU CB . 19516 1 432 . 1 1 33 33 GLU CG C 13 36.135 0.045 . 1 . . . A 532 GLU CG . 19516 1 433 . 1 1 33 33 GLU N N 15 116.396 0.030 . 1 . . . A 532 GLU N . 19516 1 434 . 1 1 34 34 THR H H 1 7.611 0.006 . 1 . . . A 533 THR H . 19516 1 435 . 1 1 34 34 THR HA H 1 4.328 0.000 . 1 . . . A 533 THR HA . 19516 1 436 . 1 1 34 34 THR C C 13 176.559 0.000 . 1 . . . A 533 THR C . 19516 1 437 . 1 1 34 34 THR CA C 13 63.112 0.000 . 1 . . . A 533 THR CA . 19516 1 438 . 1 1 34 34 THR CB C 13 71.513 0.000 . 1 . . . A 533 THR CB . 19516 1 439 . 1 1 34 34 THR N N 15 107.227 0.019 . 1 . . . A 533 THR N . 19516 1 440 . 1 1 35 35 GLY H H 1 7.618 0.007 . 1 . . . A 534 GLY H . 19516 1 441 . 1 1 35 35 GLY HA2 H 1 3.941 0.001 . 1 . . . A 534 GLY HA2 . 19516 1 442 . 1 1 35 35 GLY HA3 H 1 4.248 0.001 . 1 . . . A 534 GLY HA3 . 19516 1 443 . 1 1 35 35 GLY C C 13 174.199 0.000 . 1 . . . A 534 GLY C . 19516 1 444 . 1 1 35 35 GLY CA C 13 45.527 0.000 . 1 . . . A 534 GLY CA . 19516 1 445 . 1 1 35 35 GLY N N 15 106.448 0.024 . 1 . . . A 534 GLY N . 19516 1 446 . 1 1 36 36 HIS H H 1 8.430 0.006 . 1 . . . A 535 HIS H . 19516 1 447 . 1 1 36 36 HIS HA H 1 4.909 0.004 . 1 . . . A 535 HIS HA . 19516 1 448 . 1 1 36 36 HIS HB2 H 1 3.118 0.002 . 1 . . . A 535 HIS HB2 . 19516 1 449 . 1 1 36 36 HIS HB3 H 1 3.244 0.001 . 1 . . . A 535 HIS HB3 . 19516 1 450 . 1 1 36 36 HIS HD2 H 1 7.241 0.000 . 1 . . . A 535 HIS HD2 . 19516 1 451 . 1 1 36 36 HIS HE1 H 1 8.544 0.000 . 1 . . . A 535 HIS HE1 . 19516 1 452 . 1 1 36 36 HIS C C 13 172.641 0.000 . 1 . . . A 535 HIS C . 19516 1 453 . 1 1 36 36 HIS CA C 13 53.806 0.008 . 1 . . . A 535 HIS CA . 19516 1 454 . 1 1 36 36 HIS CB C 13 27.013 0.000 . 1 . . . A 535 HIS CB . 19516 1 455 . 1 1 36 36 HIS CD2 C 13 119.973 0.000 . 1 . . . A 535 HIS CD2 . 19516 1 456 . 1 1 36 36 HIS CE1 C 13 137.182 0.000 . 1 . . . A 535 HIS CE1 . 19516 1 457 . 1 1 36 36 HIS N N 15 121.292 0.101 . 1 . . . A 535 HIS N . 19516 1 458 . 1 1 37 37 PHE H H 1 7.173 0.001 . 1 . . . A 536 PHE H . 19516 1 459 . 1 1 37 37 PHE HA H 1 5.282 0.002 . 1 . . . A 536 PHE HA . 19516 1 460 . 1 1 37 37 PHE HB2 H 1 2.108 0.003 . 1 . . . A 536 PHE HB2 . 19516 1 461 . 1 1 37 37 PHE HB3 H 1 2.551 0.002 . 1 . . . A 536 PHE HB3 . 19516 1 462 . 1 1 37 37 PHE HD1 H 1 6.555 0.000 . 1 . . . A 536 PHE HD1 . 19516 1 463 . 1 1 37 37 PHE HD2 H 1 6.555 0.000 . 1 . . . A 536 PHE HD2 . 19516 1 464 . 1 1 37 37 PHE HE1 H 1 7.528 0.000 . 1 . . . A 536 PHE HE1 . 19516 1 465 . 1 1 37 37 PHE HE2 H 1 7.528 0.000 . 1 . . . A 536 PHE HE2 . 19516 1 466 . 1 1 37 37 PHE C C 13 173.438 0.000 . 1 . . . A 536 PHE C . 19516 1 467 . 1 1 37 37 PHE CA C 13 55.736 0.048 . 1 . . . A 536 PHE CA . 19516 1 468 . 1 1 37 37 PHE CB C 13 42.099 0.052 . 1 . . . A 536 PHE CB . 19516 1 469 . 1 1 37 37 PHE CD1 C 13 131.712 0.000 . 1 . . . A 536 PHE CD1 . 19516 1 470 . 1 1 37 37 PHE CE1 C 13 131.399 0.000 . 1 . . . A 536 PHE CE1 . 19516 1 471 . 1 1 37 37 PHE N N 15 115.908 0.013 . 1 . . . A 536 PHE N . 19516 1 472 . 1 1 38 38 HIS H H 1 9.185 0.005 . 1 . . . A 537 HIS H . 19516 1 473 . 1 1 38 38 HIS HA H 1 4.667 0.000 . 1 . . . A 537 HIS HA . 19516 1 474 . 1 1 38 38 HIS HB2 H 1 3.024 0.000 . 1 . . . A 537 HIS HB2 . 19516 1 475 . 1 1 38 38 HIS HB3 H 1 3.024 0.000 . 1 . . . A 537 HIS HB3 . 19516 1 476 . 1 1 38 38 HIS HD2 H 1 7.100 0.000 . 1 . . . A 537 HIS HD2 . 19516 1 477 . 1 1 38 38 HIS HE1 H 1 8.366 0.000 . 1 . . . A 537 HIS HE1 . 19516 1 478 . 1 1 38 38 HIS C C 13 172.182 0.000 . 1 . . . A 537 HIS C . 19516 1 479 . 1 1 38 38 HIS CA C 13 55.264 0.035 . 1 . . . A 537 HIS CA . 19516 1 480 . 1 1 38 38 HIS CB C 13 32.118 0.073 . 1 . . . A 537 HIS CB . 19516 1 481 . 1 1 38 38 HIS CD2 C 13 119.821 0.000 . 1 . . . A 537 HIS CD2 . 19516 1 482 . 1 1 38 38 HIS CE1 C 13 136.476 0.000 . 1 . . . A 537 HIS CE1 . 19516 1 483 . 1 1 38 38 HIS N N 15 117.767 0.048 . 1 . . . A 537 HIS N . 19516 1 484 . 1 1 39 39 ILE H H 1 8.649 0.008 . 1 . . . A 538 ILE H . 19516 1 485 . 1 1 39 39 ILE HA H 1 4.986 0.002 . 1 . . . A 538 ILE HA . 19516 1 486 . 1 1 39 39 ILE HB H 1 1.947 0.002 . 1 . . . A 538 ILE HB . 19516 1 487 . 1 1 39 39 ILE HG12 H 1 1.313 0.005 . 1 . . . A 538 ILE HG12 . 19516 1 488 . 1 1 39 39 ILE HG13 H 1 1.814 0.001 . 1 . . . A 538 ILE HG13 . 19516 1 489 . 1 1 39 39 ILE HG21 H 1 1.213 0.003 . 1 . . . A 538 ILE HG21 . 19516 1 490 . 1 1 39 39 ILE HG22 H 1 1.213 0.003 . 1 . . . A 538 ILE HG22 . 19516 1 491 . 1 1 39 39 ILE HG23 H 1 1.213 0.003 . 1 . . . A 538 ILE HG23 . 19516 1 492 . 1 1 39 39 ILE HD11 H 1 1.112 0.004 . 1 . . . A 538 ILE HD11 . 19516 1 493 . 1 1 39 39 ILE HD12 H 1 1.112 0.004 . 1 . . . A 538 ILE HD12 . 19516 1 494 . 1 1 39 39 ILE HD13 H 1 1.112 0.004 . 1 . . . A 538 ILE HD13 . 19516 1 495 . 1 1 39 39 ILE C C 13 176.686 0.000 . 1 . . . A 538 ILE C . 19516 1 496 . 1 1 39 39 ILE CA C 13 60.271 0.000 . 1 . . . A 538 ILE CA . 19516 1 497 . 1 1 39 39 ILE CB C 13 39.400 0.000 . 1 . . . A 538 ILE CB . 19516 1 498 . 1 1 39 39 ILE CG1 C 13 28.320 0.016 . 1 . . . A 538 ILE CG1 . 19516 1 499 . 1 1 39 39 ILE CG2 C 13 18.530 0.027 . 1 . . . A 538 ILE CG2 . 19516 1 500 . 1 1 39 39 ILE CD1 C 13 13.911 0.022 . 1 . . . A 538 ILE CD1 . 19516 1 501 . 1 1 39 39 ILE N N 15 123.861 0.076 . 1 . . . A 538 ILE N . 19516 1 502 . 1 1 40 40 THR H H 1 9.118 0.002 . 1 . . . A 539 THR H . 19516 1 503 . 1 1 40 40 THR HA H 1 4.726 0.000 . 1 . . . A 539 THR HA . 19516 1 504 . 1 1 40 40 THR C C 13 173.788 0.000 . 1 . . . A 539 THR C . 19516 1 505 . 1 1 40 40 THR CA C 13 60.256 0.000 . 1 . . . A 539 THR CA . 19516 1 506 . 1 1 40 40 THR CB C 13 70.391 0.000 . 1 . . . A 539 THR CB . 19516 1 507 . 1 1 40 40 THR N N 15 119.438 0.025 . 1 . . . A 539 THR N . 19516 1 508 . 1 1 41 41 ASN H H 1 8.569 0.002 . 1 . . . A 540 ASN H . 19516 1 509 . 1 1 41 41 ASN HA H 1 4.542 0.000 . 1 . . . A 540 ASN HA . 19516 1 510 . 1 1 41 41 ASN C C 13 176.815 0.000 . 1 . . . A 540 ASN C . 19516 1 511 . 1 1 41 41 ASN CA C 13 56.202 0.000 . 1 . . . A 540 ASN CA . 19516 1 512 . 1 1 41 41 ASN CB C 13 38.371 0.000 . 1 . . . A 540 ASN CB . 19516 1 513 . 1 1 41 41 ASN N N 15 114.191 0.024 . 1 . . . A 540 ASN N . 19516 1 514 . 1 1 42 42 THR H H 1 7.913 0.004 . 1 . . . A 541 THR H . 19516 1 515 . 1 1 42 42 THR HA H 1 4.688 0.002 . 1 . . . A 541 THR HA . 19516 1 516 . 1 1 42 42 THR HB H 1 4.385 0.002 . 1 . . . A 541 THR HB . 19516 1 517 . 1 1 42 42 THR HG21 H 1 1.163 0.001 . 1 . . . A 541 THR HG21 . 19516 1 518 . 1 1 42 42 THR HG22 H 1 1.163 0.001 . 1 . . . A 541 THR HG22 . 19516 1 519 . 1 1 42 42 THR HG23 H 1 1.163 0.001 . 1 . . . A 541 THR HG23 . 19516 1 520 . 1 1 42 42 THR C C 13 175.793 0.000 . 1 . . . A 541 THR C . 19516 1 521 . 1 1 42 42 THR CA C 13 61.897 0.061 . 1 . . . A 541 THR CA . 19516 1 522 . 1 1 42 42 THR CB C 13 71.614 0.021 . 1 . . . A 541 THR CB . 19516 1 523 . 1 1 42 42 THR CG2 C 13 22.437 0.090 . 1 . . . A 541 THR CG2 . 19516 1 524 . 1 1 42 42 THR N N 15 102.711 0.037 . 1 . . . A 541 THR N . 19516 1 525 . 1 1 43 43 THR H H 1 8.164 0.004 . 1 . . . A 542 THR H . 19516 1 526 . 1 1 43 43 THR HA H 1 5.196 0.002 . 1 . . . A 542 THR HA . 19516 1 527 . 1 1 43 43 THR HB H 1 4.027 0.004 . 1 . . . A 542 THR HB . 19516 1 528 . 1 1 43 43 THR HG21 H 1 1.032 0.002 . 1 . . . A 542 THR HG21 . 19516 1 529 . 1 1 43 43 THR HG22 H 1 1.032 0.002 . 1 . . . A 542 THR HG22 . 19516 1 530 . 1 1 43 43 THR HG23 H 1 1.032 0.002 . 1 . . . A 542 THR HG23 . 19516 1 531 . 1 1 43 43 THR C C 13 170.174 0.000 . 1 . . . A 542 THR C . 19516 1 532 . 1 1 43 43 THR CA C 13 61.241 0.133 . 1 . . . A 542 THR CA . 19516 1 533 . 1 1 43 43 THR CB C 13 72.559 0.157 . 1 . . . A 542 THR CB . 19516 1 534 . 1 1 43 43 THR CG2 C 13 22.279 0.041 . 1 . . . A 542 THR CG2 . 19516 1 535 . 1 1 43 43 THR N N 15 115.756 0.015 . 1 . . . A 542 THR N . 19516 1 536 . 1 1 44 44 PHE H H 1 9.363 0.005 . 1 . . . A 543 PHE H . 19516 1 537 . 1 1 44 44 PHE HA H 1 4.754 0.008 . 1 . . . A 543 PHE HA . 19516 1 538 . 1 1 44 44 PHE HB2 H 1 2.622 0.002 . 1 . . . A 543 PHE HB2 . 19516 1 539 . 1 1 44 44 PHE HB3 H 1 3.218 0.001 . 1 . . . A 543 PHE HB3 . 19516 1 540 . 1 1 44 44 PHE HD1 H 1 7.070 0.000 . 1 . . . A 543 PHE HD1 . 19516 1 541 . 1 1 44 44 PHE HD2 H 1 7.070 0.000 . 1 . . . A 543 PHE HD2 . 19516 1 542 . 1 1 44 44 PHE HE1 H 1 7.108 0.000 . 1 . . . A 543 PHE HE1 . 19516 1 543 . 1 1 44 44 PHE HE2 H 1 7.108 0.000 . 1 . . . A 543 PHE HE2 . 19516 1 544 . 1 1 44 44 PHE C C 13 173.268 0.000 . 1 . . . A 543 PHE C . 19516 1 545 . 1 1 44 44 PHE CA C 13 57.809 0.104 . 1 . . . A 543 PHE CA . 19516 1 546 . 1 1 44 44 PHE CB C 13 41.077 0.037 . 1 . . . A 543 PHE CB . 19516 1 547 . 1 1 44 44 PHE CD1 C 13 131.688 0.000 . 1 . . . A 543 PHE CD1 . 19516 1 548 . 1 1 44 44 PHE CD2 C 13 131.688 0.000 . 1 . . . A 543 PHE CD2 . 19516 1 549 . 1 1 44 44 PHE CE1 C 13 129.762 0.000 . 1 . . . A 543 PHE CE1 . 19516 1 550 . 1 1 44 44 PHE CE2 C 13 129.762 0.000 . 1 . . . A 543 PHE CE2 . 19516 1 551 . 1 1 44 44 PHE N N 15 122.724 0.020 . 1 . . . A 543 PHE N . 19516 1 552 . 1 1 45 45 ASP H H 1 8.751 0.005 . 1 . . . A 544 ASP H . 19516 1 553 . 1 1 45 45 ASP HA H 1 6.057 0.003 . 1 . . . A 544 ASP HA . 19516 1 554 . 1 1 45 45 ASP HB2 H 1 2.450 0.005 . 1 . . . A 544 ASP HB2 . 19516 1 555 . 1 1 45 45 ASP HB3 H 1 2.572 0.008 . 1 . . . A 544 ASP HB3 . 19516 1 556 . 1 1 45 45 ASP C C 13 175.674 0.000 . 1 . . . A 544 ASP C . 19516 1 557 . 1 1 45 45 ASP CA C 13 52.913 0.027 . 1 . . . A 544 ASP CA . 19516 1 558 . 1 1 45 45 ASP CB C 13 42.879 0.031 . 1 . . . A 544 ASP CB . 19516 1 559 . 1 1 45 45 ASP N N 15 128.063 0.018 . 1 . . . A 544 ASP N . 19516 1 560 . 1 1 46 46 PHE H H 1 8.662 0.003 . 1 . . . A 545 PHE H . 19516 1 561 . 1 1 46 46 PHE HA H 1 4.925 0.004 . 1 . . . A 545 PHE HA . 19516 1 562 . 1 1 46 46 PHE HB2 H 1 3.126 0.003 . 1 . . . A 545 PHE HB2 . 19516 1 563 . 1 1 46 46 PHE HB3 H 1 3.323 0.002 . 1 . . . A 545 PHE HB3 . 19516 1 564 . 1 1 46 46 PHE HD1 H 1 7.013 0.000 . 1 . . . A 545 PHE HD1 . 19516 1 565 . 1 1 46 46 PHE HD2 H 1 7.013 0.000 . 1 . . . A 545 PHE HD2 . 19516 1 566 . 1 1 46 46 PHE HE1 H 1 6.985 0.000 . 1 . . . A 545 PHE HE1 . 19516 1 567 . 1 1 46 46 PHE HE2 H 1 6.985 0.000 . 1 . . . A 545 PHE HE2 . 19516 1 568 . 1 1 46 46 PHE C C 13 171.897 0.000 . 1 . . . A 545 PHE C . 19516 1 569 . 1 1 46 46 PHE CA C 13 56.380 0.059 . 1 . . . A 545 PHE CA . 19516 1 570 . 1 1 46 46 PHE CB C 13 41.371 0.031 . 1 . . . A 545 PHE CB . 19516 1 571 . 1 1 46 46 PHE CD1 C 13 132.979 0.000 . 1 . . . A 545 PHE CD1 . 19516 1 572 . 1 1 46 46 PHE CD2 C 13 132.979 0.000 . 1 . . . A 545 PHE CD2 . 19516 1 573 . 1 1 46 46 PHE CE1 C 13 128.357 0.000 . 1 . . . A 545 PHE CE1 . 19516 1 574 . 1 1 46 46 PHE CE2 C 13 128.357 0.000 . 1 . . . A 545 PHE CE2 . 19516 1 575 . 1 1 46 46 PHE N N 15 114.137 0.029 . 1 . . . A 545 PHE N . 19516 1 576 . 1 1 47 47 ASP H H 1 9.219 0.002 . 1 . . . A 546 ASP H . 19516 1 577 . 1 1 47 47 ASP HA H 1 5.019 0.003 . 1 . . . A 546 ASP HA . 19516 1 578 . 1 1 47 47 ASP HB2 H 1 2.480 0.002 . 1 . . . A 546 ASP HB2 . 19516 1 579 . 1 1 47 47 ASP HB3 H 1 2.764 0.003 . 1 . . . A 546 ASP HB3 . 19516 1 580 . 1 1 47 47 ASP C C 13 178.950 0.000 . 1 . . . A 546 ASP C . 19516 1 581 . 1 1 47 47 ASP CA C 13 52.045 0.025 . 1 . . . A 546 ASP CA . 19516 1 582 . 1 1 47 47 ASP CB C 13 43.129 0.015 . 1 . . . A 546 ASP CB . 19516 1 583 . 1 1 47 47 ASP N N 15 121.001 0.018 . 1 . . . A 546 ASP N . 19516 1 584 . 1 1 48 48 LEU H H 1 8.623 0.003 . 1 . . . A 547 LEU H . 19516 1 585 . 1 1 48 48 LEU HA H 1 4.104 0.005 . 1 . . . A 547 LEU HA . 19516 1 586 . 1 1 48 48 LEU HB2 H 1 1.652 0.002 . 1 . . . A 547 LEU HB2 . 19516 1 587 . 1 1 48 48 LEU HB3 H 1 1.982 0.004 . 1 . . . A 547 LEU HB3 . 19516 1 588 . 1 1 48 48 LEU HG H 1 1.091 0.003 . 1 . . . A 547 LEU HG . 19516 1 589 . 1 1 48 48 LEU HD21 H 1 1.035 0.002 . 1 . . . A 547 LEU HD21 . 19516 1 590 . 1 1 48 48 LEU HD22 H 1 1.035 0.002 . 1 . . . A 547 LEU HD22 . 19516 1 591 . 1 1 48 48 LEU HD23 H 1 1.035 0.002 . 1 . . . A 547 LEU HD23 . 19516 1 592 . 1 1 48 48 LEU C C 13 178.679 0.000 . 1 . . . A 547 LEU C . 19516 1 593 . 1 1 48 48 LEU CA C 13 58.272 0.033 . 1 . . . A 547 LEU CA . 19516 1 594 . 1 1 48 48 LEU CB C 13 43.101 0.007 . 1 . . . A 547 LEU CB . 19516 1 595 . 1 1 48 48 LEU CG C 13 26.560 0.000 . 1 . . . A 547 LEU CG . 19516 1 596 . 1 1 48 48 LEU CD2 C 13 24.385 0.056 . 1 . . . A 547 LEU CD2 . 19516 1 597 . 1 1 48 48 LEU N N 15 126.156 0.041 . 1 . . . A 547 LEU N . 19516 1 598 . 1 1 49 49 CYS H H 1 8.820 0.004 . 1 . . . A 548 CYS H . 19516 1 599 . 1 1 49 49 CYS HA H 1 4.021 0.002 . 1 . . . A 548 CYS HA . 19516 1 600 . 1 1 49 49 CYS HB2 H 1 2.954 0.008 . 1 . . . A 548 CYS HB2 . 19516 1 601 . 1 1 49 49 CYS HB3 H 1 3.065 0.001 . 1 . . . A 548 CYS HB3 . 19516 1 602 . 1 1 49 49 CYS C C 13 174.884 0.000 . 1 . . . A 548 CYS C . 19516 1 603 . 1 1 49 49 CYS CA C 13 61.823 0.135 . 1 . . . A 548 CYS CA . 19516 1 604 . 1 1 49 49 CYS CB C 13 27.228 0.032 . 1 . . . A 548 CYS CB . 19516 1 605 . 1 1 49 49 CYS N N 15 113.743 0.026 . 1 . . . A 548 CYS N . 19516 1 606 . 1 1 50 50 SER H H 1 7.720 0.005 . 1 . . . A 549 SER H . 19516 1 607 . 1 1 50 50 SER HA H 1 4.456 0.000 . 1 . . . A 549 SER HA . 19516 1 608 . 1 1 50 50 SER C C 13 173.519 0.000 . 1 . . . A 549 SER C . 19516 1 609 . 1 1 50 50 SER CA C 13 58.515 0.000 . 1 . . . A 549 SER CA . 19516 1 610 . 1 1 50 50 SER CB C 13 64.459 0.000 . 1 . . . A 549 SER CB . 19516 1 611 . 1 1 50 50 SER N N 15 113.613 0.015 . 1 . . . A 549 SER N . 19516 1 612 . 1 1 51 51 LEU H H 1 6.779 0.005 . 1 . . . A 550 LEU H . 19516 1 613 . 1 1 51 51 LEU HA H 1 4.471 0.004 . 1 . . . A 550 LEU HA . 19516 1 614 . 1 1 51 51 LEU HB2 H 1 1.433 0.005 . 1 . . . A 550 LEU HB2 . 19516 1 615 . 1 1 51 51 LEU HB3 H 1 1.889 0.007 . 1 . . . A 550 LEU HB3 . 19516 1 616 . 1 1 51 51 LEU HG H 1 2.210 0.004 . 1 . . . A 550 LEU HG . 19516 1 617 . 1 1 51 51 LEU HD11 H 1 0.967 0.002 . 1 . . . A 550 LEU HD11 . 19516 1 618 . 1 1 51 51 LEU HD12 H 1 0.967 0.002 . 1 . . . A 550 LEU HD12 . 19516 1 619 . 1 1 51 51 LEU HD13 H 1 0.967 0.002 . 1 . . . A 550 LEU HD13 . 19516 1 620 . 1 1 51 51 LEU HD21 H 1 1.021 0.002 . 1 . . . A 550 LEU HD21 . 19516 1 621 . 1 1 51 51 LEU HD22 H 1 1.021 0.002 . 1 . . . A 550 LEU HD22 . 19516 1 622 . 1 1 51 51 LEU HD23 H 1 1.021 0.002 . 1 . . . A 550 LEU HD23 . 19516 1 623 . 1 1 51 51 LEU C C 13 176.903 0.000 . 1 . . . A 550 LEU C . 19516 1 624 . 1 1 51 51 LEU CA C 13 53.498 0.060 . 1 . . . A 550 LEU CA . 19516 1 625 . 1 1 51 51 LEU CB C 13 43.619 0.062 . 1 . . . A 550 LEU CB . 19516 1 626 . 1 1 51 51 LEU CG C 13 26.173 0.000 . 1 . . . A 550 LEU CG . 19516 1 627 . 1 1 51 51 LEU CD1 C 13 27.139 0.021 . 1 . . . A 550 LEU CD1 . 19516 1 628 . 1 1 51 51 LEU CD2 C 13 21.977 0.056 . 1 . . . A 550 LEU CD2 . 19516 1 629 . 1 1 51 51 LEU N N 15 118.126 0.041 . 1 . . . A 550 LEU N . 19516 1 630 . 1 1 52 52 ASP H H 1 9.082 0.004 . 1 . . . A 551 ASP H . 19516 1 631 . 1 1 52 52 ASP HA H 1 4.665 0.003 . 1 . . . A 551 ASP HA . 19516 1 632 . 1 1 52 52 ASP HB2 H 1 2.833 0.007 . 1 . . . A 551 ASP HB2 . 19516 1 633 . 1 1 52 52 ASP HB3 H 1 3.018 0.003 . 1 . . . A 551 ASP HB3 . 19516 1 634 . 1 1 52 52 ASP C C 13 176.382 0.000 . 1 . . . A 551 ASP C . 19516 1 635 . 1 1 52 52 ASP CA C 13 53.535 0.016 . 1 . . . A 551 ASP CA . 19516 1 636 . 1 1 52 52 ASP CB C 13 42.051 0.000 . 1 . . . A 551 ASP CB . 19516 1 637 . 1 1 52 52 ASP N N 15 121.893 0.018 . 1 . . . A 551 ASP N . 19516 1 638 . 1 1 53 53 LYS H H 1 8.601 0.002 . 1 . . . A 552 LYS H . 19516 1 639 . 1 1 53 53 LYS HA H 1 4.149 0.004 . 1 . . . A 552 LYS HA . 19516 1 640 . 1 1 53 53 LYS HB2 H 1 1.743 0.002 . 1 . . . A 552 LYS HB2 . 19516 1 641 . 1 1 53 53 LYS HB3 H 1 1.743 0.002 . 1 . . . A 552 LYS HB3 . 19516 1 642 . 1 1 53 53 LYS HG2 H 1 1.316 0.004 . 1 . . . A 552 LYS HG2 . 19516 1 643 . 1 1 53 53 LYS HG3 H 1 1.450 0.003 . 1 . . . A 552 LYS HG3 . 19516 1 644 . 1 1 53 53 LYS HD2 H 1 1.427 0.008 . 1 . . . A 552 LYS HD2 . 19516 1 645 . 1 1 53 53 LYS HD3 H 1 1.427 0.008 . 1 . . . A 552 LYS HD3 . 19516 1 646 . 1 1 53 53 LYS HE2 H 1 2.326 0.004 . 1 . . . A 552 LYS HE2 . 19516 1 647 . 1 1 53 53 LYS HE3 H 1 2.509 0.001 . 1 . . . A 552 LYS HE3 . 19516 1 648 . 1 1 53 53 LYS C C 13 179.021 0.000 . 1 . . . A 552 LYS C . 19516 1 649 . 1 1 53 53 LYS CA C 13 60.233 0.000 . 1 . . . A 552 LYS CA . 19516 1 650 . 1 1 53 53 LYS CB C 13 32.495 0.000 . 1 . . . A 552 LYS CB . 19516 1 651 . 1 1 53 53 LYS CG C 13 25.614 0.026 . 1 . . . A 552 LYS CG . 19516 1 652 . 1 1 53 53 LYS CD C 13 29.410 0.000 . 1 . . . A 552 LYS CD . 19516 1 653 . 1 1 53 53 LYS CE C 13 41.562 0.087 . 1 . . . A 552 LYS CE . 19516 1 654 . 1 1 53 53 LYS N N 15 121.414 0.023 . 1 . . . A 552 LYS N . 19516 1 655 . 1 1 54 54 THR H H 1 8.244 0.004 . 1 . . . A 553 THR H . 19516 1 656 . 1 1 54 54 THR HA H 1 3.910 0.002 . 1 . . . A 553 THR HA . 19516 1 657 . 1 1 54 54 THR HB H 1 4.189 0.003 . 1 . . . A 553 THR HB . 19516 1 658 . 1 1 54 54 THR HG21 H 1 1.262 0.001 . 1 . . . A 553 THR HG21 . 19516 1 659 . 1 1 54 54 THR HG22 H 1 1.262 0.001 . 1 . . . A 553 THR HG22 . 19516 1 660 . 1 1 54 54 THR HG23 H 1 1.262 0.001 . 1 . . . A 553 THR HG23 . 19516 1 661 . 1 1 54 54 THR C C 13 177.036 0.000 . 1 . . . A 553 THR C . 19516 1 662 . 1 1 54 54 THR CA C 13 66.065 0.019 . 1 . . . A 553 THR CA . 19516 1 663 . 1 1 54 54 THR CB C 13 68.436 0.129 . 1 . . . A 553 THR CB . 19516 1 664 . 1 1 54 54 THR CG2 C 13 22.212 0.002 . 1 . . . A 553 THR CG2 . 19516 1 665 . 1 1 54 54 THR N N 15 113.449 0.032 . 1 . . . A 553 THR N . 19516 1 666 . 1 1 55 55 THR H H 1 7.862 0.005 . 1 . . . A 554 THR H . 19516 1 667 . 1 1 55 55 THR HA H 1 3.828 0.006 . 1 . . . A 554 THR HA . 19516 1 668 . 1 1 55 55 THR HB H 1 4.314 0.007 . 1 . . . A 554 THR HB . 19516 1 669 . 1 1 55 55 THR HG21 H 1 1.169 0.002 . 1 . . . A 554 THR HG21 . 19516 1 670 . 1 1 55 55 THR HG22 H 1 1.169 0.002 . 1 . . . A 554 THR HG22 . 19516 1 671 . 1 1 55 55 THR HG23 H 1 1.169 0.002 . 1 . . . A 554 THR HG23 . 19516 1 672 . 1 1 55 55 THR C C 13 176.156 0.000 . 1 . . . A 554 THR C . 19516 1 673 . 1 1 55 55 THR CA C 13 66.779 0.024 . 1 . . . A 554 THR CA . 19516 1 674 . 1 1 55 55 THR CB C 13 67.976 0.059 . 1 . . . A 554 THR CB . 19516 1 675 . 1 1 55 55 THR CG2 C 13 23.100 0.000 . 1 . . . A 554 THR CG2 . 19516 1 676 . 1 1 55 55 THR N N 15 120.799 0.023 . 1 . . . A 554 THR N . 19516 1 677 . 1 1 56 56 VAL H H 1 7.970 0.141 . 1 . . . A 555 VAL H . 19516 1 678 . 1 1 56 56 VAL HA H 1 3.366 0.001 . 1 . . . A 555 VAL HA . 19516 1 679 . 1 1 56 56 VAL HB H 1 2.300 0.002 . 1 . . . A 555 VAL HB . 19516 1 680 . 1 1 56 56 VAL HG11 H 1 0.845 0.005 . 1 . . . A 555 VAL HG11 . 19516 1 681 . 1 1 56 56 VAL HG12 H 1 0.845 0.005 . 1 . . . A 555 VAL HG12 . 19516 1 682 . 1 1 56 56 VAL HG13 H 1 0.845 0.005 . 1 . . . A 555 VAL HG13 . 19516 1 683 . 1 1 56 56 VAL HG21 H 1 1.062 0.004 . 1 . . . A 555 VAL HG21 . 19516 1 684 . 1 1 56 56 VAL HG22 H 1 1.062 0.004 . 1 . . . A 555 VAL HG22 . 19516 1 685 . 1 1 56 56 VAL HG23 H 1 1.062 0.004 . 1 . . . A 555 VAL HG23 . 19516 1 686 . 1 1 56 56 VAL C C 13 177.296 0.000 . 1 . . . A 555 VAL C . 19516 1 687 . 1 1 56 56 VAL CA C 13 68.041 0.136 . 1 . . . A 555 VAL CA . 19516 1 688 . 1 1 56 56 VAL CB C 13 31.715 0.018 . 1 . . . A 555 VAL CB . 19516 1 689 . 1 1 56 56 VAL CG1 C 13 20.359 0.092 . 1 . . . A 555 VAL CG1 . 19516 1 690 . 1 1 56 56 VAL CG2 C 13 24.340 0.068 . 1 . . . A 555 VAL CG2 . 19516 1 691 . 1 1 56 56 VAL N N 15 122.618 0.015 . 1 . . . A 555 VAL N . 19516 1 692 . 1 1 57 57 ARG H H 1 8.342 0.003 . 1 . . . A 556 ARG H . 19516 1 693 . 1 1 57 57 ARG HA H 1 4.420 0.002 . 1 . . . A 556 ARG HA . 19516 1 694 . 1 1 57 57 ARG HB2 H 1 1.925 0.004 . 1 . . . A 556 ARG HB2 . 19516 1 695 . 1 1 57 57 ARG HB3 H 1 1.925 0.004 . 1 . . . A 556 ARG HB3 . 19516 1 696 . 1 1 57 57 ARG HG2 H 1 1.798 0.003 . 1 . . . A 556 ARG HG2 . 19516 1 697 . 1 1 57 57 ARG HG3 H 1 1.798 0.003 . 1 . . . A 556 ARG HG3 . 19516 1 698 . 1 1 57 57 ARG HD2 H 1 3.171 0.004 . 1 . . . A 556 ARG HD2 . 19516 1 699 . 1 1 57 57 ARG HD3 H 1 3.294 0.011 . 1 . . . A 556 ARG HD3 . 19516 1 700 . 1 1 57 57 ARG C C 13 180.076 0.000 . 1 . . . A 556 ARG C . 19516 1 701 . 1 1 57 57 ARG CA C 13 58.628 0.123 . 1 . . . A 556 ARG CA . 19516 1 702 . 1 1 57 57 ARG CB C 13 29.147 0.104 . 1 . . . A 556 ARG CB . 19516 1 703 . 1 1 57 57 ARG CG C 13 27.804 0.069 . 1 . . . A 556 ARG CG . 19516 1 704 . 1 1 57 57 ARG CD C 13 43.014 0.021 . 1 . . . A 556 ARG CD . 19516 1 705 . 1 1 57 57 ARG N N 15 118.700 0.023 . 1 . . . A 556 ARG N . 19516 1 706 . 1 1 58 58 LYS H H 1 7.670 0.004 . 1 . . . A 557 LYS H . 19516 1 707 . 1 1 58 58 LYS HA H 1 3.913 0.002 . 1 . . . A 557 LYS HA . 19516 1 708 . 1 1 58 58 LYS HB2 H 1 1.674 0.003 . 1 . . . A 557 LYS HB2 . 19516 1 709 . 1 1 58 58 LYS HB3 H 1 1.914 0.002 . 1 . . . A 557 LYS HB3 . 19516 1 710 . 1 1 58 58 LYS HG2 H 1 1.380 0.013 . 1 . . . A 557 LYS HG2 . 19516 1 711 . 1 1 58 58 LYS HG3 H 1 1.380 0.013 . 1 . . . A 557 LYS HG3 . 19516 1 712 . 1 1 58 58 LYS HD2 H 1 1.618 0.006 . 1 . . . A 557 LYS HD2 . 19516 1 713 . 1 1 58 58 LYS HD3 H 1 1.618 0.006 . 1 . . . A 557 LYS HD3 . 19516 1 714 . 1 1 58 58 LYS HE2 H 1 2.850 0.002 . 1 . . . A 557 LYS HE2 . 19516 1 715 . 1 1 58 58 LYS HE3 H 1 2.915 0.002 . 1 . . . A 557 LYS HE3 . 19516 1 716 . 1 1 58 58 LYS C C 13 178.774 0.000 . 1 . . . A 557 LYS C . 19516 1 717 . 1 1 58 58 LYS CA C 13 59.270 0.000 . 1 . . . A 557 LYS CA . 19516 1 718 . 1 1 58 58 LYS CB C 13 32.075 0.037 . 1 . . . A 557 LYS CB . 19516 1 719 . 1 1 58 58 LYS CG C 13 25.630 0.011 . 1 . . . A 557 LYS CG . 19516 1 720 . 1 1 58 58 LYS CD C 13 29.366 0.072 . 1 . . . A 557 LYS CD . 19516 1 721 . 1 1 58 58 LYS CE C 13 42.125 0.000 . 1 . . . A 557 LYS CE . 19516 1 722 . 1 1 58 58 LYS N N 15 120.947 0.034 . 1 . . . A 557 LYS N . 19516 1 723 . 1 1 59 59 LEU H H 1 8.166 0.004 . 1 . . . A 558 LEU H . 19516 1 724 . 1 1 59 59 LEU HA H 1 3.704 0.002 . 1 . . . A 558 LEU HA . 19516 1 725 . 1 1 59 59 LEU HB2 H 1 1.459 0.003 . 1 . . . A 558 LEU HB2 . 19516 1 726 . 1 1 59 59 LEU HB3 H 1 2.186 0.003 . 1 . . . A 558 LEU HB3 . 19516 1 727 . 1 1 59 59 LEU HG H 1 1.840 0.007 . 1 . . . A 558 LEU HG . 19516 1 728 . 1 1 59 59 LEU HD11 H 1 0.898 0.001 . 1 . . . A 558 LEU HD11 . 19516 1 729 . 1 1 59 59 LEU HD12 H 1 0.898 0.001 . 1 . . . A 558 LEU HD12 . 19516 1 730 . 1 1 59 59 LEU HD13 H 1 0.898 0.001 . 1 . . . A 558 LEU HD13 . 19516 1 731 . 1 1 59 59 LEU HD21 H 1 0.938 0.004 . 1 . . . A 558 LEU HD21 . 19516 1 732 . 1 1 59 59 LEU HD22 H 1 0.938 0.004 . 1 . . . A 558 LEU HD22 . 19516 1 733 . 1 1 59 59 LEU HD23 H 1 0.938 0.004 . 1 . . . A 558 LEU HD23 . 19516 1 734 . 1 1 59 59 LEU C C 13 178.702 0.000 . 1 . . . A 558 LEU C . 19516 1 735 . 1 1 59 59 LEU CA C 13 58.682 0.000 . 1 . . . A 558 LEU CA . 19516 1 736 . 1 1 59 59 LEU CB C 13 42.744 0.029 . 1 . . . A 558 LEU CB . 19516 1 737 . 1 1 59 59 LEU CG C 13 26.693 0.145 . 1 . . . A 558 LEU CG . 19516 1 738 . 1 1 59 59 LEU CD2 C 13 25.700 0.040 . 1 . . . A 558 LEU CD2 . 19516 1 739 . 1 1 59 59 LEU N N 15 120.582 0.016 . 1 . . . A 558 LEU N . 19516 1 740 . 1 1 60 60 GLN H H 1 8.441 0.003 . 1 . . . A 559 GLN H . 19516 1 741 . 1 1 60 60 GLN HA H 1 3.869 0.005 . 1 . . . A 559 GLN HA . 19516 1 742 . 1 1 60 60 GLN HB2 H 1 2.041 0.005 . 1 . . . A 559 GLN HB2 . 19516 1 743 . 1 1 60 60 GLN HB3 H 1 2.388 0.005 . 1 . . . A 559 GLN HB3 . 19516 1 744 . 1 1 60 60 GLN HG2 H 1 2.282 0.003 . 1 . . . A 559 GLN HG2 . 19516 1 745 . 1 1 60 60 GLN HG3 H 1 2.575 0.003 . 1 . . . A 559 GLN HG3 . 19516 1 746 . 1 1 60 60 GLN C C 13 179.502 0.000 . 1 . . . A 559 GLN C . 19516 1 747 . 1 1 60 60 GLN CA C 13 59.568 0.106 . 1 . . . A 559 GLN CA . 19516 1 748 . 1 1 60 60 GLN CB C 13 28.527 0.084 . 1 . . . A 559 GLN CB . 19516 1 749 . 1 1 60 60 GLN CG C 13 35.101 0.028 . 1 . . . A 559 GLN CG . 19516 1 750 . 1 1 60 60 GLN N N 15 115.514 0.022 . 1 . . . A 559 GLN N . 19516 1 751 . 1 1 61 61 SER H H 1 7.883 0.002 . 1 . . . A 560 SER H . 19516 1 752 . 1 1 61 61 SER HA H 1 4.310 0.004 . 1 . . . A 560 SER HA . 19516 1 753 . 1 1 61 61 SER HB2 H 1 3.984 0.000 . 1 . . . A 560 SER HB2 . 19516 1 754 . 1 1 61 61 SER HB3 H 1 3.984 0.000 . 1 . . . A 560 SER HB3 . 19516 1 755 . 1 1 61 61 SER C C 13 176.997 0.000 . 1 . . . A 560 SER C . 19516 1 756 . 1 1 61 61 SER CA C 13 61.535 0.036 . 1 . . . A 560 SER CA . 19516 1 757 . 1 1 61 61 SER CB C 13 62.810 0.049 . 1 . . . A 560 SER CB . 19516 1 758 . 1 1 61 61 SER N N 15 115.703 0.014 . 1 . . . A 560 SER N . 19516 1 759 . 1 1 62 62 TYR H H 1 7.856 0.004 . 1 . . . A 561 TYR H . 19516 1 760 . 1 1 62 62 TYR HA H 1 4.667 0.001 . 1 . . . A 561 TYR HA . 19516 1 761 . 1 1 62 62 TYR HB2 H 1 3.089 0.006 . 1 . . . A 561 TYR HB2 . 19516 1 762 . 1 1 62 62 TYR HB3 H 1 3.188 0.003 . 1 . . . A 561 TYR HB3 . 19516 1 763 . 1 1 62 62 TYR HD1 H 1 6.911 0.000 . 1 . . . A 561 TYR HD1 . 19516 1 764 . 1 1 62 62 TYR HD2 H 1 6.911 0.000 . 1 . . . A 561 TYR HD2 . 19516 1 765 . 1 1 62 62 TYR HE1 H 1 6.650 0.000 . 1 . . . A 561 TYR HE1 . 19516 1 766 . 1 1 62 62 TYR HE2 H 1 6.650 0.000 . 1 . . . A 561 TYR HE2 . 19516 1 767 . 1 1 62 62 TYR C C 13 178.019 0.000 . 1 . . . A 561 TYR C . 19516 1 768 . 1 1 62 62 TYR CA C 13 57.854 0.000 . 1 . . . A 561 TYR CA . 19516 1 769 . 1 1 62 62 TYR CB C 13 36.842 0.033 . 1 . . . A 561 TYR CB . 19516 1 770 . 1 1 62 62 TYR CD1 C 13 131.175 0.000 . 1 . . . A 561 TYR CD1 . 19516 1 771 . 1 1 62 62 TYR CD2 C 13 131.175 0.000 . 1 . . . A 561 TYR CD2 . 19516 1 772 . 1 1 62 62 TYR CE1 C 13 117.998 0.000 . 1 . . . A 561 TYR CE1 . 19516 1 773 . 1 1 62 62 TYR CE2 C 13 117.998 0.000 . 1 . . . A 561 TYR CE2 . 19516 1 774 . 1 1 62 62 TYR N N 15 121.470 0.022 . 1 . . . A 561 TYR N . 19516 1 775 . 1 1 63 63 LEU H H 1 7.618 0.003 . 1 . . . A 562 LEU H . 19516 1 776 . 1 1 63 63 LEU HA H 1 4.233 0.005 . 1 . . . A 562 LEU HA . 19516 1 777 . 1 1 63 63 LEU HB2 H 1 1.682 0.008 . 1 . . . A 562 LEU HB2 . 19516 1 778 . 1 1 63 63 LEU HB3 H 1 1.832 0.003 . 1 . . . A 562 LEU HB3 . 19516 1 779 . 1 1 63 63 LEU HG H 1 1.860 0.003 . 1 . . . A 562 LEU HG . 19516 1 780 . 1 1 63 63 LEU HD11 H 1 0.857 0.002 . 1 . . . A 562 LEU HD11 . 19516 1 781 . 1 1 63 63 LEU HD12 H 1 0.857 0.002 . 1 . . . A 562 LEU HD12 . 19516 1 782 . 1 1 63 63 LEU HD13 H 1 0.857 0.002 . 1 . . . A 562 LEU HD13 . 19516 1 783 . 1 1 63 63 LEU HD21 H 1 0.838 0.008 . 1 . . . A 562 LEU HD21 . 19516 1 784 . 1 1 63 63 LEU HD22 H 1 0.838 0.008 . 1 . . . A 562 LEU HD22 . 19516 1 785 . 1 1 63 63 LEU HD23 H 1 0.838 0.008 . 1 . . . A 562 LEU HD23 . 19516 1 786 . 1 1 63 63 LEU C C 13 178.086 0.000 . 1 . . . A 562 LEU C . 19516 1 787 . 1 1 63 63 LEU CA C 13 55.989 0.000 . 1 . . . A 562 LEU CA . 19516 1 788 . 1 1 63 63 LEU CB C 13 41.606 0.012 . 1 . . . A 562 LEU CB . 19516 1 789 . 1 1 63 63 LEU CG C 13 27.540 0.000 . 1 . . . A 562 LEU CG . 19516 1 790 . 1 1 63 63 LEU CD1 C 13 25.902 0.023 . 1 . . . A 562 LEU CD1 . 19516 1 791 . 1 1 63 63 LEU CD2 C 13 23.959 0.089 . 1 . . . A 562 LEU CD2 . 19516 1 792 . 1 1 63 63 LEU N N 15 117.382 0.014 . 1 . . . A 562 LEU N . 19516 1 793 . 1 1 64 64 GLU H H 1 7.724 0.006 . 1 . . . A 563 GLU H . 19516 1 794 . 1 1 64 64 GLU HA H 1 4.313 0.004 . 1 . . . A 563 GLU HA . 19516 1 795 . 1 1 64 64 GLU HB2 H 1 2.147 0.004 . 1 . . . A 563 GLU HB2 . 19516 1 796 . 1 1 64 64 GLU HB3 H 1 2.147 0.004 . 1 . . . A 563 GLU HB3 . 19516 1 797 . 1 1 64 64 GLU HG2 H 1 2.341 0.002 . 1 . . . A 563 GLU HG2 . 19516 1 798 . 1 1 64 64 GLU HG3 H 1 2.428 0.010 . 1 . . . A 563 GLU HG3 . 19516 1 799 . 1 1 64 64 GLU C C 13 177.407 0.000 . 1 . . . A 563 GLU C . 19516 1 800 . 1 1 64 64 GLU CA C 13 57.577 0.032 . 1 . . . A 563 GLU CA . 19516 1 801 . 1 1 64 64 GLU CB C 13 30.072 0.000 . 1 . . . A 563 GLU CB . 19516 1 802 . 1 1 64 64 GLU CG C 13 36.020 0.000 . 1 . . . A 563 GLU CG . 19516 1 803 . 1 1 64 64 GLU N N 15 119.602 0.020 . 1 . . . A 563 GLU N . 19516 1 804 . 1 1 65 65 THR H H 1 8.019 0.003 . 1 . . . A 564 THR H . 19516 1 805 . 1 1 65 65 THR HA H 1 4.416 0.033 . 1 . . . A 564 THR HA . 19516 1 806 . 1 1 65 65 THR HB H 1 4.371 0.004 . 1 . . . A 564 THR HB . 19516 1 807 . 1 1 65 65 THR HG21 H 1 1.271 0.000 . 1 . . . A 564 THR HG21 . 19516 1 808 . 1 1 65 65 THR HG22 H 1 1.271 0.000 . 1 . . . A 564 THR HG22 . 19516 1 809 . 1 1 65 65 THR HG23 H 1 1.271 0.000 . 1 . . . A 564 THR HG23 . 19516 1 810 . 1 1 65 65 THR C C 13 174.998 0.000 . 1 . . . A 564 THR C . 19516 1 811 . 1 1 65 65 THR CA C 13 62.021 0.118 . 1 . . . A 564 THR CA . 19516 1 812 . 1 1 65 65 THR CB C 13 69.690 0.000 . 1 . . . A 564 THR CB . 19516 1 813 . 1 1 65 65 THR N N 15 112.400 0.022 . 1 . . . A 564 THR N . 19516 1 814 . 1 1 66 66 SER H H 1 8.136 0.004 . 1 . . . A 565 SER H . 19516 1 815 . 1 1 66 66 SER HA H 1 4.463 0.003 . 1 . . . A 565 SER HA . 19516 1 816 . 1 1 66 66 SER HB2 H 1 3.920 0.003 . 1 . . . A 565 SER HB2 . 19516 1 817 . 1 1 66 66 SER HB3 H 1 3.920 0.003 . 1 . . . A 565 SER HB3 . 19516 1 818 . 1 1 66 66 SER C C 13 175.109 0.000 . 1 . . . A 565 SER C . 19516 1 819 . 1 1 66 66 SER CA C 13 58.814 0.133 . 1 . . . A 565 SER CA . 19516 1 820 . 1 1 66 66 SER CB C 13 63.945 0.000 . 1 . . . A 565 SER CB . 19516 1 821 . 1 1 66 66 SER N N 15 117.680 0.021 . 1 . . . A 565 SER N . 19516 1 822 . 1 1 67 67 GLY H H 1 8.510 0.002 . 1 . . . A 566 GLY H . 19516 1 823 . 1 1 67 67 GLY HA2 H 1 4.060 0.000 . 1 . . . A 566 GLY HA2 . 19516 1 824 . 1 1 67 67 GLY HA3 H 1 4.060 0.000 . 1 . . . A 566 GLY HA3 . 19516 1 825 . 1 1 67 67 GLY C C 13 174.384 0.000 . 1 . . . A 566 GLY C . 19516 1 826 . 1 1 67 67 GLY CA C 13 45.575 0.000 . 1 . . . A 566 GLY CA . 19516 1 827 . 1 1 67 67 GLY N N 15 111.023 0.009 . 1 . . . A 566 GLY N . 19516 1 828 . 1 1 68 68 THR H H 1 8.061 0.003 . 1 . . . A 567 THR H . 19516 1 829 . 1 1 68 68 THR HA H 1 4.405 0.056 . 1 . . . A 567 THR HA . 19516 1 830 . 1 1 68 68 THR HB H 1 4.295 0.002 . 1 . . . A 567 THR HB . 19516 1 831 . 1 1 68 68 THR HG21 H 1 1.191 0.000 . 1 . . . A 567 THR HG21 . 19516 1 832 . 1 1 68 68 THR HG22 H 1 1.191 0.000 . 1 . . . A 567 THR HG22 . 19516 1 833 . 1 1 68 68 THR HG23 H 1 1.191 0.000 . 1 . . . A 567 THR HG23 . 19516 1 834 . 1 1 68 68 THR C C 13 173.995 0.000 . 1 . . . A 567 THR C . 19516 1 835 . 1 1 68 68 THR CA C 13 61.713 0.030 . 1 . . . A 567 THR CA . 19516 1 836 . 1 1 68 68 THR CB C 13 70.013 0.000 . 1 . . . A 567 THR CB . 19516 1 837 . 1 1 68 68 THR CG2 C 13 21.558 0.000 . 1 . . . A 567 THR CG2 . 19516 1 838 . 1 1 68 68 THR N N 15 113.077 0.018 . 1 . . . A 567 THR N . 19516 1 839 . 1 1 69 69 SER H H 1 8.030 0.001 . 1 . . . A 568 SER H . 19516 1 840 . 1 1 69 69 SER HA H 1 4.287 0.001 . 1 . . . A 568 SER HA . 19516 1 841 . 1 1 69 69 SER HB2 H 1 3.855 0.001 . 1 . . . A 568 SER HB2 . 19516 1 842 . 1 1 69 69 SER HB3 H 1 3.855 0.001 . 1 . . . A 568 SER HB3 . 19516 1 843 . 1 1 69 69 SER CA C 13 60.165 0.036 . 1 . . . A 568 SER CA . 19516 1 844 . 1 1 69 69 SER CB C 13 64.905 0.043 . 1 . . . A 568 SER CB . 19516 1 845 . 1 1 69 69 SER N N 15 123.642 0.010 . 1 . . . A 568 SER N . 19516 1 846 . 2 2 1 1 THR C C 13 173.934 0.000 . 1 . . . . 876 THR C . 19516 1 847 . 2 2 1 1 THR CA C 13 62.068 0.012 . 1 . . . . 876 THR CA . 19516 1 848 . 2 2 1 1 THR CB C 13 69.694 0.025 . 1 . . . . 876 THR CB . 19516 1 849 . 2 2 1 1 THR CG2 C 13 21.575 0.000 . 1 . . . . 876 THR CG2 . 19516 1 850 . 2 2 2 2 ASN H H 1 8.445 0.004 . 1 . . . . 877 ASN H . 19516 1 851 . 2 2 2 2 ASN HA H 1 4.681 0.002 . 1 . . . . 877 ASN HA . 19516 1 852 . 2 2 2 2 ASN HB2 H 1 2.819 0.006 . 1 . . . . 877 ASN HB2 . 19516 1 853 . 2 2 2 2 ASN HB3 H 1 2.666 0.001 . 1 . . . . 877 ASN HB3 . 19516 1 854 . 2 2 2 2 ASN C C 13 173.789 0.000 . 1 . . . . 877 ASN C . 19516 1 855 . 2 2 2 2 ASN CA C 13 53.568 0.066 . 1 . . . . 877 ASN CA . 19516 1 856 . 2 2 2 2 ASN CB C 13 39.603 0.101 . 1 . . . . 877 ASN CB . 19516 1 857 . 2 2 2 2 ASN N N 15 121.618 0.059 . 1 . . . . 877 ASN N . 19516 1 858 . 2 2 3 3 LYS H H 1 8.003 0.002 . 1 . . . . 878 LYS H . 19516 1 859 . 2 2 3 3 LYS HA H 1 4.561 0.004 . 1 . . . . 878 LYS HA . 19516 1 860 . 2 2 3 3 LYS HB2 H 1 1.627 0.014 . 1 . . . . 878 LYS HB# . 19516 1 861 . 2 2 3 3 LYS HB3 H 1 1.627 0.014 . 1 . . . . 878 LYS HB# . 19516 1 862 . 2 2 3 3 LYS HG2 H 1 1.274 0.005 . 1 . . . . 878 LYS HG# . 19516 1 863 . 2 2 3 3 LYS HG3 H 1 1.274 0.005 . 1 . . . . 878 LYS HG# . 19516 1 864 . 2 2 3 3 LYS HD2 H 1 1.558 0.010 . 1 . . . . 878 LYS HD# . 19516 1 865 . 2 2 3 3 LYS HD3 H 1 1.558 0.010 . 1 . . . . 878 LYS HD# . 19516 1 866 . 2 2 3 3 LYS HE2 H 1 2.879 0.006 . 1 . . . . 878 LYS HE# . 19516 1 867 . 2 2 3 3 LYS HE3 H 1 2.879 0.006 . 1 . . . . 878 LYS HE# . 19516 1 868 . 2 2 3 3 LYS C C 13 175.242 0.000 . 1 . . . . 878 LYS C . 19516 1 869 . 2 2 3 3 LYS CA C 13 56.388 0.084 . 1 . . . . 878 LYS CA . 19516 1 870 . 2 2 3 3 LYS CB C 13 35.493 0.054 . 1 . . . . 878 LYS CB . 19516 1 871 . 2 2 3 3 LYS CG C 13 24.374 0.040 . 1 . . . . 878 LYS CG . 19516 1 872 . 2 2 3 3 LYS CD C 13 29.168 0.038 . 1 . . . . 878 LYS CD . 19516 1 873 . 2 2 3 3 LYS CE C 13 42.186 0.054 . 1 . . . . 878 LYS CE . 19516 1 874 . 2 2 3 3 LYS N N 15 120.707 0.017 . 1 . . . . 878 LYS N . 19516 1 875 . 2 2 4 4 LEU H H 1 9.201 0.004 . 1 . . . . 879 LEU H . 19516 1 876 . 2 2 4 4 LEU HA H 1 4.288 0.006 . 1 . . . . 879 LEU HA . 19516 1 877 . 2 2 4 4 LEU HB2 H 1 1.609 0.004 . 1 . . . . 879 LEU HB2 . 19516 1 878 . 2 2 4 4 LEU HB3 H 1 0.909 0.004 . 1 . . . . 879 LEU HB3 . 19516 1 879 . 2 2 4 4 LEU HG H 1 1.186 0.002 . 1 . . . . 879 LEU HG . 19516 1 880 . 2 2 4 4 LEU HD11 H 1 0.643 0.005 . 1 . . . . 879 LEU HD1# . 19516 1 881 . 2 2 4 4 LEU HD12 H 1 0.643 0.005 . 1 . . . . 879 LEU HD1# . 19516 1 882 . 2 2 4 4 LEU HD13 H 1 0.643 0.005 . 1 . . . . 879 LEU HD1# . 19516 1 883 . 2 2 4 4 LEU HD21 H 1 0.462 0.056 . 1 . . . . 879 LEU HD2# . 19516 1 884 . 2 2 4 4 LEU HD22 H 1 0.462 0.056 . 1 . . . . 879 LEU HD2# . 19516 1 885 . 2 2 4 4 LEU HD23 H 1 0.462 0.056 . 1 . . . . 879 LEU HD2# . 19516 1 886 . 2 2 4 4 LEU CA C 13 51.660 0.119 . 1 . . . . 879 LEU CA . 19516 1 887 . 2 2 4 4 LEU CB C 13 44.539 0.051 . 1 . . . . 879 LEU CB . 19516 1 888 . 2 2 4 4 LEU CG C 13 26.117 0.044 . 1 . . . . 879 LEU CG . 19516 1 889 . 2 2 4 4 LEU CD1 C 13 27.922 0.129 . 1 . . . . 879 LEU CD1 . 19516 1 890 . 2 2 4 4 LEU CD2 C 13 22.696 0.070 . 1 . . . . 879 LEU CD2 . 19516 1 891 . 2 2 4 4 LEU N N 15 125.553 0.014 . 1 . . . . 879 LEU N . 19516 1 892 . 2 2 5 5 PRO HA H 1 4.738 0.001 . 1 . . . . 880 PRO HA . 19516 1 893 . 2 2 5 5 PRO HB2 H 1 2.093 0.003 . 1 . . . . 880 PRO HB2 . 19516 1 894 . 2 2 5 5 PRO HB3 H 1 1.972 0.004 . 1 . . . . 880 PRO HB3 . 19516 1 895 . 2 2 5 5 PRO HG2 H 1 2.191 0.003 . 1 . . . . 880 PRO HG2 . 19516 1 896 . 2 2 5 5 PRO HG3 H 1 1.867 0.005 . 1 . . . . 880 PRO HG3 . 19516 1 897 . 2 2 5 5 PRO HD2 H 1 3.582 0.003 . 1 . . . . 880 PRO HD2 . 19516 1 898 . 2 2 5 5 PRO HD3 H 1 3.218 0.004 . 1 . . . . 880 PRO HD3 . 19516 1 899 . 2 2 5 5 PRO C C 13 176.969 0.000 . 1 . . . . 880 PRO C . 19516 1 900 . 2 2 5 5 PRO CA C 13 63.001 0.105 . 1 . . . . 880 PRO CA . 19516 1 901 . 2 2 5 5 PRO CB C 13 32.763 0.061 . 1 . . . . 880 PRO CB . 19516 1 902 . 2 2 5 5 PRO CG C 13 26.912 0.056 . 1 . . . . 880 PRO CG . 19516 1 903 . 2 2 5 5 PRO CD C 13 50.600 0.048 . 1 . . . . 880 PRO CD . 19516 1 904 . 2 2 6 6 VAL H H 1 9.132 0.002 . 1 . . . . 881 VAL H . 19516 1 905 . 2 2 6 6 VAL HA H 1 4.045 0.002 . 1 . . . . 881 VAL HA . 19516 1 906 . 2 2 6 6 VAL HB H 1 0.428 0.005 . 1 . . . . 881 VAL HB . 19516 1 907 . 2 2 6 6 VAL HG11 H 1 0.640 0.001 . 1 . . . . 881 VAL HG1# . 19516 1 908 . 2 2 6 6 VAL HG12 H 1 0.640 0.001 . 1 . . . . 881 VAL HG1# . 19516 1 909 . 2 2 6 6 VAL HG13 H 1 0.640 0.001 . 1 . . . . 881 VAL HG1# . 19516 1 910 . 2 2 6 6 VAL HG21 H 1 0.684 0.002 . 1 . . . . 881 VAL HG2# . 19516 1 911 . 2 2 6 6 VAL HG22 H 1 0.684 0.002 . 1 . . . . 881 VAL HG2# . 19516 1 912 . 2 2 6 6 VAL HG23 H 1 0.684 0.002 . 1 . . . . 881 VAL HG2# . 19516 1 913 . 2 2 6 6 VAL C C 13 174.130 0.000 . 1 . . . . 881 VAL C . 19516 1 914 . 2 2 6 6 VAL CA C 13 61.329 0.116 . 1 . . . . 881 VAL CA . 19516 1 915 . 2 2 6 6 VAL CB C 13 33.701 0.045 . 1 . . . . 881 VAL CB . 19516 1 916 . 2 2 6 6 VAL CG1 C 13 22.029 0.000 . 1 . . . . 881 VAL CG1 . 19516 1 917 . 2 2 6 6 VAL CG2 C 13 22.094 0.086 . 1 . . . . 881 VAL CG2 . 19516 1 918 . 2 2 6 6 VAL N N 15 125.984 0.016 . 1 . . . . 881 VAL N . 19516 1 919 . 2 2 7 7 SER H H 1 8.054 0.004 . 1 . . . . 882 SER H . 19516 1 920 . 2 2 7 7 SER HA H 1 5.419 0.002 . 1 . . . . 882 SER HA . 19516 1 921 . 2 2 7 7 SER HB2 H 1 3.589 0.005 . 1 . . . . 882 SER HB2 . 19516 1 922 . 2 2 7 7 SER HB3 H 1 3.481 0.002 . 1 . . . . 882 SER HB3 . 19516 1 923 . 2 2 7 7 SER C C 13 173.837 0.000 . 1 . . . . 882 SER C . 19516 1 924 . 2 2 7 7 SER CA C 13 56.895 0.092 . 1 . . . . 882 SER CA . 19516 1 925 . 2 2 7 7 SER CB C 13 65.538 0.029 . 1 . . . . 882 SER CB . 19516 1 926 . 2 2 7 7 SER N N 15 121.443 0.025 . 1 . . . . 882 SER N . 19516 1 927 . 2 2 8 8 ILE H H 1 9.650 0.002 . 1 . . . . 883 ILE H . 19516 1 928 . 2 2 8 8 ILE HA H 1 4.694 0.001 . 1 . . . . 883 ILE HA . 19516 1 929 . 2 2 8 8 ILE HB H 1 2.105 0.003 . 1 . . . . 883 ILE HB . 19516 1 930 . 2 2 8 8 ILE HG12 H 1 1.757 0.003 . 1 . . . . 883 ILE HG12 . 19516 1 931 . 2 2 8 8 ILE HG13 H 1 1.404 0.002 . 1 . . . . 883 ILE HG13 . 19516 1 932 . 2 2 8 8 ILE HG21 H 1 0.850 0.002 . 1 . . . . 883 ILE HG2# . 19516 1 933 . 2 2 8 8 ILE HG22 H 1 0.850 0.002 . 1 . . . . 883 ILE HG2# . 19516 1 934 . 2 2 8 8 ILE HG23 H 1 0.850 0.002 . 1 . . . . 883 ILE HG2# . 19516 1 935 . 2 2 8 8 ILE HD11 H 1 0.972 0.002 . 1 . . . . 883 ILE HD1# . 19516 1 936 . 2 2 8 8 ILE HD12 H 1 0.972 0.002 . 1 . . . . 883 ILE HD1# . 19516 1 937 . 2 2 8 8 ILE HD13 H 1 0.972 0.002 . 1 . . . . 883 ILE HD1# . 19516 1 938 . 2 2 8 8 ILE CA C 13 57.639 0.000 . 1 . . . . 883 ILE CA . 19516 1 939 . 2 2 8 8 ILE CB C 13 41.457 0.000 . 1 . . . . 883 ILE CB . 19516 1 940 . 2 2 8 8 ILE CG1 C 13 27.631 0.000 . 1 . . . . 883 ILE CG1 . 19516 1 941 . 2 2 8 8 ILE CG2 C 13 15.981 0.000 . 1 . . . . 883 ILE CG2 . 19516 1 942 . 2 2 8 8 ILE CD1 C 13 13.430 0.000 . 1 . . . . 883 ILE CD1 . 19516 1 943 . 2 2 8 8 ILE N N 15 128.603 0.015 . 1 . . . . 883 ILE N . 19516 1 944 . 2 2 9 9 PRO HA H 1 4.531 0.003 . 1 . . . . 884 PRO HA . 19516 1 945 . 2 2 9 9 PRO HB2 H 1 2.456 0.004 . 1 . . . . 884 PRO HB2 . 19516 1 946 . 2 2 9 9 PRO HB3 H 1 2.034 0.009 . 1 . . . . 884 PRO HB3 . 19516 1 947 . 2 2 9 9 PRO HG2 H 1 2.195 0.001 . 1 . . . . 884 PRO HG2 . 19516 1 948 . 2 2 9 9 PRO HG3 H 1 2.014 0.008 . 1 . . . . 884 PRO HG3 . 19516 1 949 . 2 2 9 9 PRO HD2 H 1 4.026 0.002 . 1 . . . . 884 PRO HD2 . 19516 1 950 . 2 2 9 9 PRO HD3 H 1 3.605 0.001 . 1 . . . . 884 PRO HD3 . 19516 1 951 . 2 2 9 9 PRO C C 13 177.927 0.000 . 1 . . . . 884 PRO C . 19516 1 952 . 2 2 9 9 PRO CA C 13 63.341 0.095 . 1 . . . . 884 PRO CA . 19516 1 953 . 2 2 9 9 PRO CB C 13 31.881 0.106 . 1 . . . . 884 PRO CB . 19516 1 954 . 2 2 9 9 PRO CG C 13 27.953 0.119 . 1 . . . . 884 PRO CG . 19516 1 955 . 2 2 9 9 PRO CD C 13 51.735 0.038 . 1 . . . . 884 PRO CD . 19516 1 956 . 2 2 10 10 LEU H H 1 8.550 0.003 . 1 . . . . 885 LEU H . 19516 1 957 . 2 2 10 10 LEU HA H 1 3.952 0.002 . 1 . . . . 885 LEU HA . 19516 1 958 . 2 2 10 10 LEU HB2 H 1 1.481 0.004 . 1 . . . . 885 LEU HB . 19516 1 959 . 2 2 10 10 LEU HB3 H 1 1.481 0.004 . 1 . . . . 885 LEU HB . 19516 1 960 . 2 2 10 10 LEU HG H 1 1.229 0.002 . 1 . . . . 885 LEU HG . 19516 1 961 . 2 2 10 10 LEU HD11 H 1 0.810 0.001 . 1 . . . . 885 LEU HD1# . 19516 1 962 . 2 2 10 10 LEU HD12 H 1 0.810 0.001 . 1 . . . . 885 LEU HD1# . 19516 1 963 . 2 2 10 10 LEU HD13 H 1 0.810 0.001 . 1 . . . . 885 LEU HD1# . 19516 1 964 . 2 2 10 10 LEU HD21 H 1 0.868 0.002 . 1 . . . . 885 LEU HD2# . 19516 1 965 . 2 2 10 10 LEU HD22 H 1 0.868 0.002 . 1 . . . . 885 LEU HD2# . 19516 1 966 . 2 2 10 10 LEU HD23 H 1 0.868 0.002 . 1 . . . . 885 LEU HD2# . 19516 1 967 . 2 2 10 10 LEU C C 13 178.565 0.000 . 1 . . . . 885 LEU C . 19516 1 968 . 2 2 10 10 LEU CA C 13 56.773 0.054 . 1 . . . . 885 LEU CA . 19516 1 969 . 2 2 10 10 LEU CB C 13 41.024 0.015 . 1 . . . . 885 LEU CB . 19516 1 970 . 2 2 10 10 LEU CG C 13 26.756 0.028 . 1 . . . . 885 LEU CG . 19516 1 971 . 2 2 10 10 LEU CD1 C 13 25.431 0.049 . 1 . . . . 885 LEU CD1 . 19516 1 972 . 2 2 10 10 LEU CD2 C 13 22.916 0.066 . 1 . . . . 885 LEU CD2 . 19516 1 973 . 2 2 10 10 LEU N N 15 125.904 0.026 . 1 . . . . 885 LEU N . 19516 1 974 . 2 2 11 11 ALA H H 1 8.247 0.003 . 1 . . . . 886 ALA H . 19516 1 975 . 2 2 11 11 ALA HA H 1 4.203 0.003 . 1 . . . . 886 ALA HA . 19516 1 976 . 2 2 11 11 ALA HB1 H 1 1.414 0.001 . 1 . . . . 886 ALA HB# . 19516 1 977 . 2 2 11 11 ALA HB2 H 1 1.414 0.001 . 1 . . . . 886 ALA HB# . 19516 1 978 . 2 2 11 11 ALA HB3 H 1 1.414 0.001 . 1 . . . . 886 ALA HB# . 19516 1 979 . 2 2 11 11 ALA C C 13 178.999 0.000 . 1 . . . . 886 ALA C . 19516 1 980 . 2 2 11 11 ALA CA C 13 53.696 0.094 . 1 . . . . 886 ALA CA . 19516 1 981 . 2 2 11 11 ALA CB C 13 18.514 0.059 . 1 . . . . 886 ALA CB . 19516 1 982 . 2 2 11 11 ALA N N 15 116.856 0.019 . 1 . . . . 886 ALA N . 19516 1 983 . 2 2 12 12 SER H H 1 7.650 0.003 . 1 . . . . 887 SER H . 19516 1 984 . 2 2 12 12 SER HA H 1 4.401 0.002 . 1 . . . . 887 SER HA . 19516 1 985 . 2 2 12 12 SER HB2 H 1 3.355 0.000 . 1 . . . . 887 SER HB2 . 19516 1 986 . 2 2 12 12 SER HB3 H 1 3.221 0.000 . 1 . . . . 887 SER HB3 . 19516 1 987 . 2 2 12 12 SER C C 13 172.720 0.000 . 1 . . . . 887 SER C . 19516 1 988 . 2 2 12 12 SER CA C 13 59.684 0.055 . 1 . . . . 887 SER CA . 19516 1 989 . 2 2 12 12 SER CB C 13 65.286 0.011 . 1 . . . . 887 SER CB . 19516 1 990 . 2 2 12 12 SER N N 15 111.099 0.021 . 1 . . . . 887 SER N . 19516 1 991 . 2 2 13 13 VAL H H 1 7.312 0.004 . 1 . . . . 888 VAL H . 19516 1 992 . 2 2 13 13 VAL HA H 1 4.607 0.003 . 1 . . . . 888 VAL HA . 19516 1 993 . 2 2 13 13 VAL HB H 1 1.791 0.002 . 1 . . . . 888 VAL HB . 19516 1 994 . 2 2 13 13 VAL HG11 H 1 0.473 0.002 . 1 . . . . 888 VAL HG1# . 19516 1 995 . 2 2 13 13 VAL HG12 H 1 0.473 0.002 . 1 . . . . 888 VAL HG1# . 19516 1 996 . 2 2 13 13 VAL HG13 H 1 0.473 0.002 . 1 . . . . 888 VAL HG1# . 19516 1 997 . 2 2 13 13 VAL HG21 H 1 0.571 0.001 . 1 . . . . 888 VAL HG2# . 19516 1 998 . 2 2 13 13 VAL HG22 H 1 0.571 0.001 . 1 . . . . 888 VAL HG2# . 19516 1 999 . 2 2 13 13 VAL HG23 H 1 0.571 0.001 . 1 . . . . 888 VAL HG2# . 19516 1 1000 . 2 2 13 13 VAL C C 13 173.627 0.000 . 1 . . . . 888 VAL C . 19516 1 1001 . 2 2 13 13 VAL CA C 13 59.465 0.174 . 1 . . . . 888 VAL CA . 19516 1 1002 . 2 2 13 13 VAL CB C 13 36.582 0.063 . 1 . . . . 888 VAL CB . 19516 1 1003 . 2 2 13 13 VAL CG1 C 13 21.785 0.093 . 1 . . . . 888 VAL CG1 . 19516 1 1004 . 2 2 13 13 VAL CG2 C 13 16.364 0.083 . 1 . . . . 888 VAL CG2 . 19516 1 1005 . 2 2 13 13 VAL N N 15 109.928 0.038 . 1 . . . . 888 VAL N . 19516 1 1006 . 2 2 14 14 VAL H H 1 9.255 0.005 . 1 . . . . 889 VAL H . 19516 1 1007 . 2 2 14 14 VAL HA H 1 4.230 0.000 . 1 . . . . 889 VAL HA . 19516 1 1008 . 2 2 14 14 VAL HB H 1 1.788 0.002 . 1 . . . . 889 VAL HB . 19516 1 1009 . 2 2 14 14 VAL HG11 H 1 0.789 0.003 . 1 . . . . 889 VAL HG1# . 19516 1 1010 . 2 2 14 14 VAL HG12 H 1 0.789 0.003 . 1 . . . . 889 VAL HG1# . 19516 1 1011 . 2 2 14 14 VAL HG13 H 1 0.789 0.003 . 1 . . . . 889 VAL HG1# . 19516 1 1012 . 2 2 14 14 VAL HG21 H 1 0.793 0.000 . 1 . . . . 889 VAL HG2# . 19516 1 1013 . 2 2 14 14 VAL HG22 H 1 0.793 0.000 . 1 . . . . 889 VAL HG2# . 19516 1 1014 . 2 2 14 14 VAL HG23 H 1 0.793 0.000 . 1 . . . . 889 VAL HG2# . 19516 1 1015 . 2 2 14 14 VAL C C 13 176.777 0.000 . 1 . . . . 889 VAL C . 19516 1 1016 . 2 2 14 14 VAL CA C 13 60.957 0.049 . 1 . . . . 889 VAL CA . 19516 1 1017 . 2 2 14 14 VAL CB C 13 33.370 0.046 . 1 . . . . 889 VAL CB . 19516 1 1018 . 2 2 14 14 VAL CG1 C 13 20.772 0.067 . 1 . . . . 889 VAL CG1 . 19516 1 1019 . 2 2 14 14 VAL CG2 C 13 20.461 0.000 . 1 . . . . 889 VAL CG2 . 19516 1 1020 . 2 2 14 14 VAL N N 15 119.666 0.028 . 1 . . . . 889 VAL N . 19516 1 1021 . 2 2 15 15 LEU H H 1 8.829 0.003 . 1 . . . . 890 LEU H . 19516 1 1022 . 2 2 15 15 LEU HA H 1 4.335 0.002 . 1 . . . . 890 LEU HA . 19516 1 1023 . 2 2 15 15 LEU HB2 H 1 1.570 0.002 . 1 . . . . 890 LEU HB2 . 19516 1 1024 . 2 2 15 15 LEU HB3 H 1 1.420 0.004 . 1 . . . . 890 LEU HB3 . 19516 1 1025 . 2 2 15 15 LEU HG H 1 0.904 0.003 . 1 . . . . 890 LEU HG . 19516 1 1026 . 2 2 15 15 LEU HD21 H 1 0.694 0.003 . 1 . . . . 890 LEU HD2# . 19516 1 1027 . 2 2 15 15 LEU HD22 H 1 0.694 0.003 . 1 . . . . 890 LEU HD2# . 19516 1 1028 . 2 2 15 15 LEU HD23 H 1 0.694 0.003 . 1 . . . . 890 LEU HD2# . 19516 1 1029 . 2 2 15 15 LEU CA C 13 52.488 0.037 . 1 . . . . 890 LEU CA . 19516 1 1030 . 2 2 15 15 LEU CB C 13 41.512 0.000 . 1 . . . . 890 LEU CB . 19516 1 1031 . 2 2 15 15 LEU CG C 13 25.896 0.000 . 1 . . . . 890 LEU CG . 19516 1 1032 . 2 2 15 15 LEU CD2 C 13 23.459 0.076 . 1 . . . . 890 LEU CD2 . 19516 1 1033 . 2 2 15 15 LEU N N 15 128.822 0.009 . 1 . . . . 890 LEU N . 19516 1 1034 . 2 2 16 16 PRO HA H 1 4.342 0.003 . 1 . . . . 891 PRO HA . 19516 1 1035 . 2 2 16 16 PRO HB2 H 1 2.243 0.001 . 1 . . . . 891 PRO HB2 . 19516 1 1036 . 2 2 16 16 PRO HB3 H 1 1.716 0.008 . 1 . . . . 891 PRO HB3 . 19516 1 1037 . 2 2 16 16 PRO HG2 H 1 1.923 0.003 . 1 . . . . 891 PRO HG2 . 19516 1 1038 . 2 2 16 16 PRO HG3 H 1 1.815 0.005 . 1 . . . . 891 PRO HG3 . 19516 1 1039 . 2 2 16 16 PRO HD2 H 1 3.672 0.005 . 1 . . . . 891 PRO HD2 . 19516 1 1040 . 2 2 16 16 PRO HD3 H 1 3.258 0.006 . 1 . . . . 891 PRO HD3 . 19516 1 1041 . 2 2 16 16 PRO C C 13 176.928 0.000 . 1 . . . . 891 PRO C . 19516 1 1042 . 2 2 16 16 PRO CA C 13 62.992 0.110 . 1 . . . . 891 PRO CA . 19516 1 1043 . 2 2 16 16 PRO CB C 13 32.179 0.123 . 1 . . . . 891 PRO CB . 19516 1 1044 . 2 2 16 16 PRO CG C 13 27.321 0.002 . 1 . . . . 891 PRO CG . 19516 1 1045 . 2 2 16 16 PRO CD C 13 50.326 0.051 . 1 . . . . 891 PRO CD . 19516 1 1046 . 2 2 17 17 SER H H 1 8.509 0.006 . 1 . . . . 892 SER H . 19516 1 1047 . 2 2 17 17 SER HA H 1 4.326 0.007 . 1 . . . . 892 SER HA . 19516 1 1048 . 2 2 17 17 SER HB2 H 1 3.858 0.003 . 1 . . . . 892 SER HB2 . 19516 1 1049 . 2 2 17 17 SER HB3 H 1 3.711 0.001 . 1 . . . . 892 SER HB3 . 19516 1 1050 . 2 2 17 17 SER C C 13 175.357 0.000 . 1 . . . . 892 SER C . 19516 1 1051 . 2 2 17 17 SER CA C 13 59.127 0.055 . 1 . . . . 892 SER CA . 19516 1 1052 . 2 2 17 17 SER CB C 13 63.412 0.027 . 1 . . . . 892 SER CB . 19516 1 1053 . 2 2 17 17 SER N N 15 117.423 0.037 . 1 . . . . 892 SER N . 19516 1 1054 . 2 2 18 18 ARG H H 1 8.493 0.003 . 1 . . . . 893 ARG H . 19516 1 1055 . 2 2 18 18 ARG HA H 1 4.285 0.004 . 1 . . . . 893 ARG HA . 19516 1 1056 . 2 2 18 18 ARG HB2 H 1 1.870 0.002 . 1 . . . . 893 ARG HB2 . 19516 1 1057 . 2 2 18 18 ARG HB3 H 1 1.790 0.004 . 1 . . . . 893 ARG HB3 . 19516 1 1058 . 2 2 18 18 ARG HG2 H 1 1.656 0.007 . 1 . . . . 893 ARG HG# . 19516 1 1059 . 2 2 18 18 ARG HG3 H 1 1.656 0.007 . 1 . . . . 893 ARG HG# . 19516 1 1060 . 2 2 18 18 ARG HD2 H 1 3.203 0.003 . 1 . . . . 893 ARG HD# . 19516 1 1061 . 2 2 18 18 ARG HD3 H 1 3.203 0.003 . 1 . . . . 893 ARG HD# . 19516 1 1062 . 2 2 18 18 ARG C C 13 176.576 0.000 . 1 . . . . 893 ARG C . 19516 1 1063 . 2 2 18 18 ARG CA C 13 56.778 0.050 . 1 . . . . 893 ARG CA . 19516 1 1064 . 2 2 18 18 ARG CB C 13 30.521 0.041 . 1 . . . . 893 ARG CB . 19516 1 1065 . 2 2 18 18 ARG CG C 13 26.897 0.118 . 1 . . . . 893 ARG CG . 19516 1 1066 . 2 2 18 18 ARG CD C 13 43.425 0.042 . 1 . . . . 893 ARG CD . 19516 1 1067 . 2 2 18 18 ARG N N 15 122.328 0.043 . 1 . . . . 893 ARG N . 19516 1 1068 . 2 2 19 19 ALA H H 1 8.093 0.011 . 1 . . . . 894 ALA H . 19516 1 1069 . 2 2 19 19 ALA HA H 1 4.338 0.002 . 1 . . . . 894 ALA HA . 19516 1 1070 . 2 2 19 19 ALA HB1 H 1 1.410 0.005 . 1 . . . . 894 ALA HB# . 19516 1 1071 . 2 2 19 19 ALA HB2 H 1 1.410 0.005 . 1 . . . . 894 ALA HB# . 19516 1 1072 . 2 2 19 19 ALA HB3 H 1 1.410 0.005 . 1 . . . . 894 ALA HB# . 19516 1 1073 . 2 2 19 19 ALA C C 13 177.907 0.000 . 1 . . . . 894 ALA C . 19516 1 1074 . 2 2 19 19 ALA CA C 13 52.928 0.136 . 1 . . . . 894 ALA CA . 19516 1 1075 . 2 2 19 19 ALA CB C 13 19.146 0.050 . 1 . . . . 894 ALA CB . 19516 1 1076 . 2 2 19 19 ALA N N 15 123.798 0.062 . 1 . . . . 894 ALA N . 19516 1 1077 . 2 2 20 20 GLU H H 1 8.190 0.009 . 1 . . . . 895 GLU H . 19516 1 1078 . 2 2 20 20 GLU HA H 1 4.194 0.003 . 1 . . . . 895 GLU HA . 19516 1 1079 . 2 2 20 20 GLU HB2 H 1 1.990 0.017 . 1 . . . . 895 GLU HB# . 19516 1 1080 . 2 2 20 20 GLU HB3 H 1 1.990 0.017 . 1 . . . . 895 GLU HB# . 19516 1 1081 . 2 2 20 20 GLU HG2 H 1 2.258 0.001 . 1 . . . . 895 GLU HG# . 19516 1 1082 . 2 2 20 20 GLU HG3 H 1 2.258 0.001 . 1 . . . . 895 GLU HG# . 19516 1 1083 . 2 2 20 20 GLU C C 13 176.962 0.000 . 1 . . . . 895 GLU C . 19516 1 1084 . 2 2 20 20 GLU CA C 13 57.107 0.012 . 1 . . . . 895 GLU CA . 19516 1 1085 . 2 2 20 20 GLU CB C 13 30.114 0.004 . 1 . . . . 895 GLU CB . 19516 1 1086 . 2 2 20 20 GLU CG C 13 36.033 0.041 . 1 . . . . 895 GLU CG . 19516 1 1087 . 2 2 20 20 GLU N N 15 119.271 0.054 . 1 . . . . 895 GLU N . 19516 1 1088 . 2 2 21 21 ARG H H 1 8.157 0.006 . 1 . . . . 896 ARG H . 19516 1 1089 . 2 2 21 21 ARG HA H 1 4.292 0.006 . 1 . . . . 896 ARG HA . 19516 1 1090 . 2 2 21 21 ARG HB2 H 1 1.873 0.003 . 1 . . . . 896 ARG HB2 . 19516 1 1091 . 2 2 21 21 ARG HB3 H 1 1.785 0.008 . 1 . . . . 896 ARG HB3 . 19516 1 1092 . 2 2 21 21 ARG HG2 H 1 1.652 0.006 . 1 . . . . 896 ARG HG# . 19516 1 1093 . 2 2 21 21 ARG HG3 H 1 1.652 0.006 . 1 . . . . 896 ARG HG# . 19516 1 1094 . 2 2 21 21 ARG HD2 H 1 3.201 0.006 . 1 . . . . 896 ARG HD# . 19516 1 1095 . 2 2 21 21 ARG HD3 H 1 3.201 0.006 . 1 . . . . 896 ARG HD# . 19516 1 1096 . 2 2 21 21 ARG C C 13 176.239 0.000 . 1 . . . . 896 ARG C . 19516 1 1097 . 2 2 21 21 ARG CA C 13 56.479 0.205 . 1 . . . . 896 ARG CA . 19516 1 1098 . 2 2 21 21 ARG CB C 13 30.641 0.090 . 1 . . . . 896 ARG CB . 19516 1 1099 . 2 2 21 21 ARG CG C 13 26.990 0.136 . 1 . . . . 896 ARG CG . 19516 1 1100 . 2 2 21 21 ARG CD C 13 43.347 0.000 . 1 . . . . 896 ARG CD . 19516 1 1101 . 2 2 21 21 ARG N N 15 120.960 0.029 . 1 . . . . 896 ARG N . 19516 1 1102 . 2 2 22 22 ALA H H 1 8.167 0.007 . 1 . . . . 897 ALA H . 19516 1 1103 . 2 2 22 22 ALA HA H 1 4.303 0.004 . 1 . . . . 897 ALA HA . 19516 1 1104 . 2 2 22 22 ALA HB1 H 1 1.397 0.008 . 1 . . . . 897 ALA HB# . 19516 1 1105 . 2 2 22 22 ALA HB2 H 1 1.397 0.008 . 1 . . . . 897 ALA HB# . 19516 1 1106 . 2 2 22 22 ALA HB3 H 1 1.397 0.008 . 1 . . . . 897 ALA HB# . 19516 1 1107 . 2 2 22 22 ALA C C 13 177.700 0.000 . 1 . . . . 897 ALA C . 19516 1 1108 . 2 2 22 22 ALA CA C 13 52.333 0.308 . 1 . . . . 897 ALA CA . 19516 1 1109 . 2 2 22 22 ALA CB C 13 19.132 0.056 . 1 . . . . 897 ALA CB . 19516 1 1110 . 2 2 22 22 ALA N N 15 124.386 0.045 . 1 . . . . 897 ALA N . 19516 1 1111 . 2 2 23 23 ARG H H 1 8.188 0.004 . 1 . . . . 898 ARG H . 19516 1 1112 . 2 2 23 23 ARG HA H 1 4.374 0.003 . 1 . . . . 898 ARG HA . 19516 1 1113 . 2 2 23 23 ARG HB2 H 1 1.886 0.004 . 1 . . . . 898 ARG HB2 . 19516 1 1114 . 2 2 23 23 ARG HB3 H 1 1.790 0.005 . 1 . . . . 898 ARG HB3 . 19516 1 1115 . 2 2 23 23 ARG HG2 H 1 1.661 0.006 . 1 . . . . 898 ARG HG# . 19516 1 1116 . 2 2 23 23 ARG HG3 H 1 1.661 0.006 . 1 . . . . 898 ARG HG# . 19516 1 1117 . 2 2 23 23 ARG HD2 H 1 3.198 0.000 . 1 . . . . 898 ARG HD# . 19516 1 1118 . 2 2 23 23 ARG HD3 H 1 3.198 0.000 . 1 . . . . 898 ARG HD# . 19516 1 1119 . 2 2 23 23 ARG C C 13 176.341 0.000 . 1 . . . . 898 ARG C . 19516 1 1120 . 2 2 23 23 ARG CA C 13 56.229 0.073 . 1 . . . . 898 ARG CA . 19516 1 1121 . 2 2 23 23 ARG CB C 13 31.058 0.027 . 1 . . . . 898 ARG CB . 19516 1 1122 . 2 2 23 23 ARG CG C 13 27.181 0.139 . 1 . . . . 898 ARG CG . 19516 1 1123 . 2 2 23 23 ARG CD C 13 43.442 0.040 . 1 . . . . 898 ARG CD . 19516 1 1124 . 2 2 23 23 ARG N N 15 120.178 0.089 . 1 . . . . 898 ARG N . 19516 1 1125 . 2 2 24 24 SER H H 1 8.383 0.003 . 1 . . . . 899 SER H . 19516 1 1126 . 2 2 24 24 SER HA H 1 4.539 0.003 . 1 . . . . 899 SER HA . 19516 1 1127 . 2 2 24 24 SER HB2 H 1 3.897 0.001 . 1 . . . . 899 SER HB# . 19516 1 1128 . 2 2 24 24 SER HB3 H 1 3.897 0.001 . 1 . . . . 899 SER HB# . 19516 1 1129 . 2 2 24 24 SER C C 13 173.882 0.000 . 1 . . . . 899 SER C . 19516 1 1130 . 2 2 24 24 SER CA C 13 58.347 0.026 . 1 . . . . 899 SER CA . 19516 1 1131 . 2 2 24 24 SER CB C 13 63.988 0.035 . 1 . . . . 899 SER CB . 19516 1 1132 . 2 2 24 24 SER N N 15 117.603 0.025 . 1 . . . . 899 SER N . 19516 1 1133 . 2 2 25 25 THR H H 1 7.818 0.002 . 1 . . . . 900 THR H . 19516 1 1134 . 2 2 25 25 THR HA H 1 4.189 0.036 . 1 . . . . 900 THR HA . 19516 1 1135 . 2 2 25 25 THR HB H 1 4.222 0.038 . 1 . . . . 900 THR HB . 19516 1 1136 . 2 2 25 25 THR HG21 H 1 1.156 0.001 . 1 . . . . 900 THR HG2# . 19516 1 1137 . 2 2 25 25 THR HG22 H 1 1.156 0.001 . 1 . . . . 900 THR HG2# . 19516 1 1138 . 2 2 25 25 THR HG23 H 1 1.156 0.001 . 1 . . . . 900 THR HG2# . 19516 1 1139 . 2 2 25 25 THR CA C 13 63.327 0.102 . 1 . . . . 900 THR CA . 19516 1 1140 . 2 2 25 25 THR CB C 13 70.782 0.048 . 1 . . . . 900 THR CB . 19516 1 1141 . 2 2 25 25 THR N N 15 120.688 0.013 . 1 . . . . 900 THR N . 19516 1 stop_ save_