data_18292 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18292 _Entry.Title ; NMR structure of the RNA binding motif 39 (RBM39) from Mus musculus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-23 _Entry.Accession_date 2012-02-23 _Entry.Last_release_date 2012-03-22 _Entry.Original_release_date 2012-03-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Pedro Serrano . . . 18292 2 Samit Dutta . K. . 18292 3 Michael Geralt . . . 18292 4 Kurt Wuthrich . . . 18292 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Joint Center for Structural Genomics' . 18292 2 PSI:Biology 'Partnership for T-Cell Biology' . 18292 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA binding domain' . 18292 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18292 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 476 18292 '15N chemical shifts' 120 18292 '1H chemical shifts' 756 18292 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 . . 2012-03-22 2012-02-23 original author . 18292 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LQ5 'BMRB Entry Tracking System' 18292 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18292 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the RNA binding motif 39 (RBM39) from Mus musculus' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pedro Serrano . . . 18292 1 2 Samit Dutta . K. . 18292 1 3 Michael Geralt . . . 18292 1 4 Kurt Wuthrich . . . 18292 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18292 _Assembly.ID 1 _Assembly.Name RBM39 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RBM39 1 $RBM39 A . yes native no no . . . 18292 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RBM39 _Entity.Sf_category entity _Entity.Sf_framecode RBM39 _Entity.Entry_ID 18292 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VQPLATQCFQLSNMFNPQTE EEVGWDTEIKDDVIEECNKH GGVIHIYVDKNSAQGNVYVK CPSIAAAIAAVNALHGRWFA GKMITAAYVPLPTYHNLFPD SMTATQLLVPSRR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12516.306 _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 PDB 2LQ5 . "Nmr Structure Of The Rna Binding Motif 39 (rbm39) From Mus Musculus" . . . . . 100.00 113 100.00 100.00 7.19e-79 . . . . 18292 1 2 no PDB 3S6E . "Crystal Structure Of A Rna Binding Motif Protein 39 (rbm39) From Mus Musculus At 0.95 A Resolution" . . . . . 100.00 114 97.35 97.35 1.23e-75 . . . . 18292 1 3 no PDB 4J5O . "Room Temperature Crystal Structure Of A Rna Binding Motif Protein 39 (rbm39) From Mus Musculus At 1.11 A Resolution" . . . . . 100.00 114 100.00 100.00 9.55e-79 . . . . 18292 1 4 no PDB 4OZ0 . "Crystal Structure Of Human Caperalpha U2af Homology Motif (apo-state)" . . . . . 100.00 115 100.00 100.00 6.73e-79 . . . . 18292 1 5 no PDB 4OZ1 . "Crystal Structure Of Human Caperalpha Uhm Bound To Sf3b155 Ulm5" . . . . . 100.00 115 100.00 100.00 6.73e-79 . . . . 18292 1 6 no PDB 4RU2 . "Crystal Structure Of A Rna-binding Protein 39 (rbm39) In Complex With Fragment Of Splicing Factor (u2af) From Mus Musculus At 2" . . . . . 100.00 114 99.12 99.12 1.33e-77 . . . . 18292 1 7 no PDB 5CXT . "Crystal Structure Of A Rna-binding Protein 39 (rbm39) In Complex With Fragment Of Splicing Factor (u2af) From Unknown At 2.20 A" . . . . . 100.00 114 99.12 99.12 1.33e-77 . . . . 18292 1 8 no DBJ BAE22009 . "unnamed protein product [Mus musculus]" . . . . . 100.00 169 100.00 100.00 4.01e-80 . . . . 18292 1 9 no DBJ BAE22477 . "unnamed protein product [Mus musculus]" . . . . . 100.00 521 100.00 100.00 5.22e-78 . . . . 18292 1 10 no DBJ BAE27657 . "unnamed protein product [Mus musculus]" . . . . . 100.00 530 100.00 100.00 6.44e-78 . . . . 18292 1 11 no DBJ BAE32977 . "unnamed protein product [Mus musculus]" . . . . . 100.00 524 100.00 100.00 5.60e-78 . . . . 18292 1 12 no DBJ BAG54289 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 506 100.00 100.00 3.66e-78 . . . . 18292 1 13 no EMBL CAD97833 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 373 100.00 100.00 1.53e-78 . . . . 18292 1 14 no EMBL CAE45833 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 367 100.00 100.00 1.20e-78 . . . . 18292 1 15 no EMBL CAE45890 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 373 100.00 100.00 1.42e-78 . . . . 18292 1 16 no EMBL CAH18281 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 513 100.00 100.00 4.32e-78 . . . . 18292 1 17 no EMBL CAH90627 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 524 100.00 100.00 5.60e-78 . . . . 18292 1 18 no GB AAA16346 . "splicing factor [Homo sapiens]" . . . . . 100.00 524 100.00 100.00 5.60e-78 . . . . 18292 1 19 no GB AAA16347 . "splicing factor [Homo sapiens]" . . . . . 100.00 530 100.00 100.00 6.44e-78 . . . . 18292 1 20 no GB AAH04000 . "Rbm39 protein, partial [Mus musculus]" . . . . . 100.00 429 100.00 100.00 9.86e-78 . . . . 18292 1 21 no GB AAH30493 . "Rbm39 protein [Mus musculus]" . . . . . 100.00 367 100.00 100.00 1.20e-78 . . . . 18292 1 22 no GB AAH82607 . "Rbm39 protein [Mus musculus]" . . . . . 100.00 367 100.00 100.00 1.20e-78 . . . . 18292 1 23 no REF NP_001013225 . "RNA-binding protein 39 [Rattus norvegicus]" . . . . . 100.00 524 100.00 100.00 5.60e-78 . . . . 18292 1 24 no REF NP_001125339 . "RNA-binding protein 39 [Pongo abelii]" . . . . . 100.00 524 100.00 100.00 5.60e-78 . . . . 18292 1 25 no REF NP_001162566 . "RNA-binding protein 39 [Papio anubis]" . . . . . 100.00 530 100.00 100.00 6.44e-78 . . . . 18292 1 26 no REF NP_001164806 . "RNA-binding protein 39 [Oryctolagus cuniculus]" . . . . . 100.00 530 100.00 100.00 6.44e-78 . . . . 18292 1 27 no REF NP_001193433 . "RNA-binding protein 39 [Bos taurus]" . . . . . 100.00 530 100.00 100.00 6.44e-78 . . . . 18292 1 28 no SP Q14498 . "RecName: Full=RNA-binding protein 39; AltName: Full=CAPER alpha; AltName: Full=Hepatocellular carcinoma protein 1; AltName: Ful" . . . . . 100.00 530 100.00 100.00 6.44e-78 . . . . 18292 1 29 no SP Q5RC80 . "RecName: Full=RNA-binding protein 39; AltName: Full=RNA-binding motif protein 39" . . . . . 100.00 524 100.00 100.00 5.60e-78 . . . . 18292 1 30 no SP Q8VH51 . "RecName: Full=RNA-binding protein 39; AltName: Full=Coactivator of activating protein 1 and estrogen receptors; Short=Coactivat" . . . . . 100.00 530 100.00 100.00 6.44e-78 . . . . 18292 1 31 no TPG DAA23046 . "TPA: RNA binding motif protein 39 [Bos taurus]" . . . . . 100.00 524 100.00 100.00 5.60e-78 . . . . 18292 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 . VAL . 18292 1 2 . GLN . 18292 1 3 . PRO . 18292 1 4 . LEU . 18292 1 5 . ALA . 18292 1 6 . THR . 18292 1 7 . GLN . 18292 1 8 . CYS . 18292 1 9 . PHE . 18292 1 10 . GLN . 18292 1 11 . LEU . 18292 1 12 . SER . 18292 1 13 . ASN . 18292 1 14 . MET . 18292 1 15 . PHE . 18292 1 16 . ASN . 18292 1 17 . PRO . 18292 1 18 . GLN . 18292 1 19 . THR . 18292 1 20 . GLU . 18292 1 21 . GLU . 18292 1 22 . GLU . 18292 1 23 . VAL . 18292 1 24 . GLY . 18292 1 25 . TRP . 18292 1 26 . ASP . 18292 1 27 . THR . 18292 1 28 . GLU . 18292 1 29 . ILE . 18292 1 30 . LYS . 18292 1 31 . ASP . 18292 1 32 . ASP . 18292 1 33 . VAL . 18292 1 34 . ILE . 18292 1 35 . GLU . 18292 1 36 . GLU . 18292 1 37 . CYS . 18292 1 38 . ASN . 18292 1 39 . LYS . 18292 1 40 . HIS . 18292 1 41 . GLY . 18292 1 42 . GLY . 18292 1 43 . VAL . 18292 1 44 . ILE . 18292 1 45 . HIS . 18292 1 46 . ILE . 18292 1 47 . TYR . 18292 1 48 . VAL . 18292 1 49 . ASP . 18292 1 50 . LYS . 18292 1 51 . ASN . 18292 1 52 . SER . 18292 1 53 . ALA . 18292 1 54 . GLN . 18292 1 55 . GLY . 18292 1 56 . ASN . 18292 1 57 . VAL . 18292 1 58 . TYR . 18292 1 59 . VAL . 18292 1 60 . LYS . 18292 1 61 . CYS . 18292 1 62 . PRO . 18292 1 63 . SER . 18292 1 64 . ILE . 18292 1 65 . ALA . 18292 1 66 . ALA . 18292 1 67 . ALA . 18292 1 68 . ILE . 18292 1 69 . ALA . 18292 1 70 . ALA . 18292 1 71 . VAL . 18292 1 72 . ASN . 18292 1 73 . ALA . 18292 1 74 . LEU . 18292 1 75 . HIS . 18292 1 76 . GLY . 18292 1 77 . ARG . 18292 1 78 . TRP . 18292 1 79 . PHE . 18292 1 80 . ALA . 18292 1 81 . GLY . 18292 1 82 . LYS . 18292 1 83 . MET . 18292 1 84 . ILE . 18292 1 85 . THR . 18292 1 86 . ALA . 18292 1 87 . ALA . 18292 1 88 . TYR . 18292 1 89 . VAL . 18292 1 90 . PRO . 18292 1 91 . LEU . 18292 1 92 . PRO . 18292 1 93 . THR . 18292 1 94 . TYR . 18292 1 95 . HIS . 18292 1 96 . ASN . 18292 1 97 . LEU . 18292 1 98 . PHE . 18292 1 99 . PRO . 18292 1 100 . ASP . 18292 1 101 . SER . 18292 1 102 . MET . 18292 1 103 . THR . 18292 1 104 . ALA . 18292 1 105 . THR . 18292 1 106 . GLN . 18292 1 107 . LEU . 18292 1 108 . LEU . 18292 1 109 . VAL . 18292 1 110 . PRO . 18292 1 111 . SER . 18292 1 112 . ARG . 18292 1 113 . ARG . 18292 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 . VAL 1 1 18292 1 . GLN 2 2 18292 1 . PRO 3 3 18292 1 . LEU 4 4 18292 1 . ALA 5 5 18292 1 . THR 6 6 18292 1 . GLN 7 7 18292 1 . CYS 8 8 18292 1 . PHE 9 9 18292 1 . GLN 10 10 18292 1 . LEU 11 11 18292 1 . SER 12 12 18292 1 . ASN 13 13 18292 1 . MET 14 14 18292 1 . PHE 15 15 18292 1 . ASN 16 16 18292 1 . PRO 17 17 18292 1 . GLN 18 18 18292 1 . THR 19 19 18292 1 . GLU 20 20 18292 1 . GLU 21 21 18292 1 . GLU 22 22 18292 1 . VAL 23 23 18292 1 . GLY 24 24 18292 1 . TRP 25 25 18292 1 . ASP 26 26 18292 1 . THR 27 27 18292 1 . GLU 28 28 18292 1 . ILE 29 29 18292 1 . LYS 30 30 18292 1 . ASP 31 31 18292 1 . ASP 32 32 18292 1 . VAL 33 33 18292 1 . ILE 34 34 18292 1 . GLU 35 35 18292 1 . GLU 36 36 18292 1 . CYS 37 37 18292 1 . ASN 38 38 18292 1 . LYS 39 39 18292 1 . HIS 40 40 18292 1 . GLY 41 41 18292 1 . GLY 42 42 18292 1 . VAL 43 43 18292 1 . ILE 44 44 18292 1 . HIS 45 45 18292 1 . ILE 46 46 18292 1 . TYR 47 47 18292 1 . VAL 48 48 18292 1 . ASP 49 49 18292 1 . LYS 50 50 18292 1 . ASN 51 51 18292 1 . SER 52 52 18292 1 . ALA 53 53 18292 1 . GLN 54 54 18292 1 . GLY 55 55 18292 1 . ASN 56 56 18292 1 . VAL 57 57 18292 1 . TYR 58 58 18292 1 . VAL 59 59 18292 1 . LYS 60 60 18292 1 . CYS 61 61 18292 1 . PRO 62 62 18292 1 . SER 63 63 18292 1 . ILE 64 64 18292 1 . ALA 65 65 18292 1 . ALA 66 66 18292 1 . ALA 67 67 18292 1 . ILE 68 68 18292 1 . ALA 69 69 18292 1 . ALA 70 70 18292 1 . VAL 71 71 18292 1 . ASN 72 72 18292 1 . ALA 73 73 18292 1 . LEU 74 74 18292 1 . HIS 75 75 18292 1 . GLY 76 76 18292 1 . ARG 77 77 18292 1 . TRP 78 78 18292 1 . PHE 79 79 18292 1 . ALA 80 80 18292 1 . GLY 81 81 18292 1 . LYS 82 82 18292 1 . MET 83 83 18292 1 . ILE 84 84 18292 1 . THR 85 85 18292 1 . ALA 86 86 18292 1 . ALA 87 87 18292 1 . TYR 88 88 18292 1 . VAL 89 89 18292 1 . PRO 90 90 18292 1 . LEU 91 91 18292 1 . PRO 92 92 18292 1 . THR 93 93 18292 1 . TYR 94 94 18292 1 . HIS 95 95 18292 1 . ASN 96 96 18292 1 . LEU 97 97 18292 1 . PHE 98 98 18292 1 . PRO 99 99 18292 1 . ASP 100 100 18292 1 . SER 101 101 18292 1 . MET 102 102 18292 1 . THR 103 103 18292 1 . ALA 104 104 18292 1 . THR 105 105 18292 1 . GLN 106 106 18292 1 . LEU 107 107 18292 1 . LEU 108 108 18292 1 . VAL 109 109 18292 1 . PRO 110 110 18292 1 . SER 111 111 18292 1 . ARG 112 112 18292 1 . ARG 113 113 18292 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18292 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RBM39 . 10090 organism . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18292 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 18292 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RBM39 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pSpeedET . . . . . . 18292 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18292 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RBM39 '[U-95% 13C; U-95% 15N]' . . 1 $RBM39 . . 1.2 . . mM . . . . 18292 1 2 'sodium azide' 'natural abundance' . . . . . . 4.5 . . mM . . . . 18292 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18292 1 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18292 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18292 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18292 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18292 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.083 . M 18292 1 pH 6.0 . pH 18292 1 pressure 1 . atm 18292 1 temperature 298 . K 18292 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18292 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18292 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18292 1 'data analysis' 18292 1 stop_ save_ save_Opalp _Software.Sf_category software _Software.Sf_framecode Opalp _Software.Entry_ID 18292 _Software.ID 2 _Software.Name Opalp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 18292 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18292 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18292 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18292 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18292 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18292 _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' . . 18292 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18292 4 'data analysis' 18292 4 processing 18292 4 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 18292 _Software.ID 5 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Unio Herrmann Wuthrich' . . 18292 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18292 5 'structure solution' 18292 5 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 18292 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18292 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18292 _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 . . . 18292 1 2 spectrometer_2 Bruker Avance . 800 . . . 18292 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 18292 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18292 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18292 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18292 1 4 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18292 1 5 '4D APSY HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18292 1 6 '5D APSY CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18292 1 7 '5D APSY HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18292 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18292 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 18292 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18292 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18292 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18292 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 18292 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 18292 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18292 1 2 '3D 1H-13C NOESY aliphatic' . . . 18292 1 3 '3D 1H-15N NOESY' . . . 18292 1 4 '3D 1H-13C NOESY aromatic' . . . 18292 1 5 '4D APSY HACANH' . . . 18292 1 6 '5D APSY CBCACONH' . . . 18292 1 7 '5D APSY HACACONH' . . . 18292 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN H H 1 8.471 0.000 . 1 . . . A 2 GLN H . 18292 1 2 . 1 1 2 2 GLN HA H 1 4.571 0.000 . 1 . . . A 2 GLN HA . 18292 1 3 . 1 1 2 2 GLN HB2 H 1 2.026 0.000 . 2 . . . A 2 GLN HB2 . 18292 1 4 . 1 1 2 2 GLN HB3 H 1 1.893 0.000 . 2 . . . A 2 GLN HB3 . 18292 1 5 . 1 1 2 2 GLN HG2 H 1 2.341 0.000 . 2 . . . A 2 GLN QG . 18292 1 6 . 1 1 2 2 GLN HG3 H 1 2.341 0.000 . 2 . . . A 2 GLN QG . 18292 1 7 . 1 1 2 2 GLN CA C 13 50.502 0.000 . 1 . . . A 2 GLN CA . 18292 1 8 . 1 1 2 2 GLN CB C 13 26.254 0.000 . 1 . . . A 2 GLN CB . 18292 1 9 . 1 1 2 2 GLN CG C 13 30.994 0.000 . 1 . . . A 2 GLN CG . 18292 1 10 . 1 1 2 2 GLN N N 15 125.719 0.000 . 1 . . . A 2 GLN N . 18292 1 11 . 1 1 2 2 GLN NE2 N 15 107.000 0.000 . 1 . . . A 2 GLN NE2 . 18292 1 12 . 1 1 3 3 PRO HA H 1 4.311 0.000 . 1 . . . A 3 PRO HA . 18292 1 13 . 1 1 3 3 PRO HB2 H 1 1.831 0.000 . 2 . . . A 3 PRO HB2 . 18292 1 14 . 1 1 3 3 PRO HB3 H 1 2.250 0.000 . 2 . . . A 3 PRO HB3 . 18292 1 15 . 1 1 3 3 PRO HG2 H 1 1.967 0.000 . 2 . . . A 3 PRO QG . 18292 1 16 . 1 1 3 3 PRO HG3 H 1 1.967 0.000 . 2 . . . A 3 PRO QG . 18292 1 17 . 1 1 3 3 PRO HD2 H 1 3.640 0.000 . 2 . . . A 3 PRO HD2 . 18292 1 18 . 1 1 3 3 PRO HD3 H 1 3.769 0.000 . 2 . . . A 3 PRO HD3 . 18292 1 19 . 1 1 3 3 PRO C C 13 173.634 0.000 . 1 . . . A 3 PRO C . 18292 1 20 . 1 1 3 3 PRO CA C 13 60.349 0.000 . 1 . . . A 3 PRO CA . 18292 1 21 . 1 1 3 3 PRO CB C 13 29.678 0.000 . 1 . . . A 3 PRO CB . 18292 1 22 . 1 1 3 3 PRO CG C 13 24.814 0.000 . 1 . . . A 3 PRO CG . 18292 1 23 . 1 1 3 3 PRO CD C 13 47.933 0.000 . 1 . . . A 3 PRO CD . 18292 1 24 . 1 1 4 4 LEU H H 1 7.912 0.000 . 1 . . . A 4 LEU H . 18292 1 25 . 1 1 4 4 LEU HA H 1 4.133 0.000 . 1 . . . A 4 LEU HA . 18292 1 26 . 1 1 4 4 LEU HB2 H 1 1.460 0.000 . 2 . . . A 4 LEU HB2 . 18292 1 27 . 1 1 4 4 LEU HG H 1 1.515 0.000 . 1 . . . A 4 LEU HG . 18292 1 28 . 1 1 4 4 LEU HD11 H 1 0.778 0.000 . . . . . A 4 LEU QD1 . 18292 1 29 . 1 1 4 4 LEU HD12 H 1 0.778 0.000 . . . . . A 4 LEU QD1 . 18292 1 30 . 1 1 4 4 LEU HD13 H 1 0.778 0.000 . . . . . A 4 LEU QD1 . 18292 1 31 . 1 1 4 4 LEU HD21 H 1 0.838 0.000 . . . . . A 4 LEU QD2 . 18292 1 32 . 1 1 4 4 LEU HD22 H 1 0.838 0.000 . . . . . A 4 LEU QD2 . 18292 1 33 . 1 1 4 4 LEU HD23 H 1 0.838 0.000 . . . . . A 4 LEU QD2 . 18292 1 34 . 1 1 4 4 LEU C C 13 172.946 0.000 . 1 . . . A 4 LEU C . 18292 1 35 . 1 1 4 4 LEU CA C 13 51.900 0.000 . 1 . . . A 4 LEU CA . 18292 1 36 . 1 1 4 4 LEU CB C 13 39.711 0.000 . 1 . . . A 4 LEU CB . 18292 1 37 . 1 1 4 4 LEU CG C 13 24.354 0.000 . 1 . . . A 4 LEU CG . 18292 1 38 . 1 1 4 4 LEU CD1 C 13 21.034 0.000 . 2 . . . A 4 LEU CD1 . 18292 1 39 . 1 1 4 4 LEU CD2 C 13 22.177 0.000 . 2 . . . A 4 LEU CD2 . 18292 1 40 . 1 1 4 4 LEU N N 15 122.253 0.000 . 1 . . . A 4 LEU N . 18292 1 41 . 1 1 5 5 ALA H H 1 7.415 0.000 . 1 . . . A 5 ALA H . 18292 1 42 . 1 1 5 5 ALA HA H 1 2.385 0.000 . 1 . . . A 5 ALA HA . 18292 1 43 . 1 1 5 5 ALA HB1 H 1 0.802 0.000 . . . . . A 5 ALA QB . 18292 1 44 . 1 1 5 5 ALA HB2 H 1 0.802 0.000 . . . . . A 5 ALA QB . 18292 1 45 . 1 1 5 5 ALA HB3 H 1 0.802 0.000 . . . . . A 5 ALA QB . 18292 1 46 . 1 1 5 5 ALA C C 13 174.164 0.000 . 1 . . . A 5 ALA C . 18292 1 47 . 1 1 5 5 ALA CA C 13 49.205 0.000 . 1 . . . A 5 ALA CA . 18292 1 48 . 1 1 5 5 ALA CB C 13 17.058 0.000 . 1 . . . A 5 ALA CB . 18292 1 49 . 1 1 5 5 ALA N N 15 122.619 0.000 . 1 . . . A 5 ALA N . 18292 1 50 . 1 1 6 6 THR H H 1 6.601 0.000 . 1 . . . A 6 THR H . 18292 1 51 . 1 1 6 6 THR HA H 1 4.393 0.000 . 1 . . . A 6 THR HA . 18292 1 52 . 1 1 6 6 THR HB H 1 4.426 0.000 . 1 . . . A 6 THR HB . 18292 1 53 . 1 1 6 6 THR HG21 H 1 1.113 0.000 . . . . . A 6 THR QG2 . 18292 1 54 . 1 1 6 6 THR HG22 H 1 1.113 0.000 . . . . . A 6 THR QG2 . 18292 1 55 . 1 1 6 6 THR HG23 H 1 1.113 0.000 . . . . . A 6 THR QG2 . 18292 1 56 . 1 1 6 6 THR C C 13 168.908 0.000 . 1 . . . A 6 THR C . 18292 1 57 . 1 1 6 6 THR CA C 13 56.371 0.000 . 1 . . . A 6 THR CA . 18292 1 58 . 1 1 6 6 THR CB C 13 68.874 0.000 . 1 . . . A 6 THR CB . 18292 1 59 . 1 1 6 6 THR CG2 C 13 19.581 0.000 . 1 . . . A 6 THR CG2 . 18292 1 60 . 1 1 6 6 THR N N 15 112.768 0.000 . 1 . . . A 6 THR N . 18292 1 61 . 1 1 7 7 GLN H H 1 8.547 0.000 . 1 . . . A 7 GLN H . 18292 1 62 . 1 1 7 7 GLN HA H 1 4.344 0.000 . 1 . . . A 7 GLN HA . 18292 1 63 . 1 1 7 7 GLN HB2 H 1 1.852 0.000 . 2 . . . A 7 GLN HB2 . 18292 1 64 . 1 1 7 7 GLN HB3 H 1 2.065 0.000 . 2 . . . A 7 GLN HB3 . 18292 1 65 . 1 1 7 7 GLN HG2 H 1 2.053 0.000 . 2 . . . A 7 GLN HG2 . 18292 1 66 . 1 1 7 7 GLN HG3 H 1 2.274 0.000 . 2 . . . A 7 GLN HG3 . 18292 1 67 . 1 1 7 7 GLN HE21 H 1 7.694 0.000 . 2 . . . A 7 GLN HE21 . 18292 1 68 . 1 1 7 7 GLN HE22 H 1 7.067 0.000 . 2 . . . A 7 GLN HE22 . 18292 1 69 . 1 1 7 7 GLN C C 13 171.068 0.000 . 1 . . . A 7 GLN C . 18292 1 70 . 1 1 7 7 GLN CA C 13 53.795 0.000 . 1 . . . A 7 GLN CA . 18292 1 71 . 1 1 7 7 GLN CB C 13 28.252 0.000 . 1 . . . A 7 GLN CB . 18292 1 72 . 1 1 7 7 GLN CG C 13 32.880 0.000 . 1 . . . A 7 GLN CG . 18292 1 73 . 1 1 7 7 GLN N N 15 111.707 0.000 . 1 . . . A 7 GLN N . 18292 1 74 . 1 1 7 7 GLN NE2 N 15 110.091 0.000 . 1 . . . A 7 GLN NE2 . 18292 1 75 . 1 1 8 8 CYS H H 1 8.558 0.000 . 1 . . . A 8 CYS H . 18292 1 76 . 1 1 8 8 CYS HA H 1 5.389 0.000 . 1 . . . A 8 CYS HA . 18292 1 77 . 1 1 8 8 CYS HB2 H 1 2.357 0.000 . 2 . . . A 8 CYS HB2 . 18292 1 78 . 1 1 8 8 CYS HB3 H 1 3.042 0.000 . 2 . . . A 8 CYS HB3 . 18292 1 79 . 1 1 8 8 CYS C C 13 171.026 0.000 . 1 . . . A 8 CYS C . 18292 1 80 . 1 1 8 8 CYS CA C 13 53.652 0.000 . 1 . . . A 8 CYS CA . 18292 1 81 . 1 1 8 8 CYS CB C 13 29.416 0.000 . 1 . . . A 8 CYS CB . 18292 1 82 . 1 1 8 8 CYS N N 15 118.669 0.000 . 1 . . . A 8 CYS N . 18292 1 83 . 1 1 9 9 PHE H H 1 9.533 0.000 . 1 . . . A 9 PHE H . 18292 1 84 . 1 1 9 9 PHE HA H 1 5.369 0.000 . 1 . . . A 9 PHE HA . 18292 1 85 . 1 1 9 9 PHE HB2 H 1 2.677 0.000 . 2 . . . A 9 PHE HB2 . 18292 1 86 . 1 1 9 9 PHE HB3 H 1 2.444 0.000 . 2 . . . A 9 PHE HB3 . 18292 1 87 . 1 1 9 9 PHE HD1 H 1 6.598 0.000 . 3 . . . A 9 PHE QD . 18292 1 88 . 1 1 9 9 PHE HD2 H 1 6.598 0.000 . 3 . . . A 9 PHE QD . 18292 1 89 . 1 1 9 9 PHE HE1 H 1 6.994 0.000 . 3 . . . A 9 PHE QE . 18292 1 90 . 1 1 9 9 PHE HE2 H 1 6.994 0.000 . 3 . . . A 9 PHE QE . 18292 1 91 . 1 1 9 9 PHE HZ H 1 6.713 0.000 . 1 . . . A 9 PHE HZ . 18292 1 92 . 1 1 9 9 PHE C C 13 168.313 0.000 . 1 . . . A 9 PHE C . 18292 1 93 . 1 1 9 9 PHE CA C 13 53.341 0.000 . 1 . . . A 9 PHE CA . 18292 1 94 . 1 1 9 9 PHE CB C 13 39.008 0.000 . 1 . . . A 9 PHE CB . 18292 1 95 . 1 1 9 9 PHE CD1 C 13 127.424 0.000 . 3 . . . A 9 PHE CD1 . 18292 1 96 . 1 1 9 9 PHE CD2 C 13 127.424 0.000 . 3 . . . A 9 PHE CD2 . 18292 1 97 . 1 1 9 9 PHE CE1 C 13 125.834 0.000 . 3 . . . A 9 PHE CE1 . 18292 1 98 . 1 1 9 9 PHE CE2 C 13 125.834 0.000 . 3 . . . A 9 PHE CE2 . 18292 1 99 . 1 1 9 9 PHE CZ C 13 124.379 0.000 . 1 . . . A 9 PHE CZ . 18292 1 100 . 1 1 9 9 PHE N N 15 117.117 0.000 . 1 . . . A 9 PHE N . 18292 1 101 . 1 1 10 10 GLN H H 1 9.299 0.000 . 1 . . . A 10 GLN H . 18292 1 102 . 1 1 10 10 GLN HA H 1 5.063 0.000 . 1 . . . A 10 GLN HA . 18292 1 103 . 1 1 10 10 GLN HB2 H 1 1.776 0.000 . 2 . . . A 10 GLN HB2 . 18292 1 104 . 1 1 10 10 GLN HB3 H 1 1.668 0.000 . 2 . . . A 10 GLN HB3 . 18292 1 105 . 1 1 10 10 GLN HG2 H 1 1.525 0.000 . 2 . . . A 10 GLN HG2 . 18292 1 106 . 1 1 10 10 GLN HG3 H 1 1.321 0.000 . 2 . . . A 10 GLN HG3 . 18292 1 107 . 1 1 10 10 GLN HE21 H 1 6.720 0.000 . 2 . . . A 10 GLN HE21 . 18292 1 108 . 1 1 10 10 GLN HE22 H 1 6.207 0.000 . 2 . . . A 10 GLN HE22 . 18292 1 109 . 1 1 10 10 GLN C C 13 173.280 0.000 . 1 . . . A 10 GLN C . 18292 1 110 . 1 1 10 10 GLN CA C 13 50.242 0.000 . 1 . . . A 10 GLN CA . 18292 1 111 . 1 1 10 10 GLN CB C 13 30.263 0.000 . 1 . . . A 10 GLN CB . 18292 1 112 . 1 1 10 10 GLN CG C 13 30.597 0.000 . 1 . . . A 10 GLN CG . 18292 1 113 . 1 1 10 10 GLN N N 15 118.344 0.000 . 1 . . . A 10 GLN N . 18292 1 114 . 1 1 10 10 GLN NE2 N 15 109.500 0.000 . 1 . . . A 10 GLN NE2 . 18292 1 115 . 1 1 11 11 LEU H H 1 9.679 0.000 . 1 . . . A 11 LEU H . 18292 1 116 . 1 1 11 11 LEU HA H 1 5.474 0.000 . 1 . . . A 11 LEU HA . 18292 1 117 . 1 1 11 11 LEU HB2 H 1 1.731 0.000 . 2 . . . A 11 LEU HB2 . 18292 1 118 . 1 1 11 11 LEU HB3 H 1 1.483 0.000 . 2 . . . A 11 LEU HB3 . 18292 1 119 . 1 1 11 11 LEU HG H 1 1.728 0.000 . 1 . . . A 11 LEU HG . 18292 1 120 . 1 1 11 11 LEU HD11 H 1 0.879 0.000 . . . . . A 11 LEU QD1 . 18292 1 121 . 1 1 11 11 LEU HD12 H 1 0.879 0.000 . . . . . A 11 LEU QD1 . 18292 1 122 . 1 1 11 11 LEU HD13 H 1 0.879 0.000 . . . . . A 11 LEU QD1 . 18292 1 123 . 1 1 11 11 LEU HD21 H 1 0.859 0.000 . . . . . A 11 LEU QD2 . 18292 1 124 . 1 1 11 11 LEU HD22 H 1 0.859 0.000 . . . . . A 11 LEU QD2 . 18292 1 125 . 1 1 11 11 LEU HD23 H 1 0.859 0.000 . . . . . A 11 LEU QD2 . 18292 1 126 . 1 1 11 11 LEU C C 13 173.987 0.000 . 1 . . . A 11 LEU C . 18292 1 127 . 1 1 11 11 LEU CA C 13 50.153 0.000 . 1 . . . A 11 LEU CA . 18292 1 128 . 1 1 11 11 LEU CB C 13 41.779 0.000 . 1 . . . A 11 LEU CB . 18292 1 129 . 1 1 11 11 LEU CG C 13 24.292 0.000 . 1 . . . A 11 LEU CG . 18292 1 130 . 1 1 11 11 LEU CD1 C 13 21.041 0.000 . 2 . . . A 11 LEU CD1 . 18292 1 131 . 1 1 11 11 LEU CD2 C 13 23.687 0.000 . 2 . . . A 11 LEU CD2 . 18292 1 132 . 1 1 11 11 LEU N N 15 128.664 0.000 . 1 . . . A 11 LEU N . 18292 1 133 . 1 1 12 12 SER H H 1 8.717 0.000 . 1 . . . A 12 SER H . 18292 1 134 . 1 1 12 12 SER HA H 1 4.877 0.000 . 1 . . . A 12 SER HA . 18292 1 135 . 1 1 12 12 SER HB2 H 1 3.514 0.000 . 2 . . . A 12 SER HB2 . 18292 1 136 . 1 1 12 12 SER HB3 H 1 3.661 0.000 . 2 . . . A 12 SER HB3 . 18292 1 137 . 1 1 12 12 SER C C 13 170.086 0.000 . 1 . . . A 12 SER C . 18292 1 138 . 1 1 12 12 SER CA C 13 54.698 0.000 . 1 . . . A 12 SER CA . 18292 1 139 . 1 1 12 12 SER CB C 13 63.054 0.000 . 1 . . . A 12 SER CB . 18292 1 140 . 1 1 12 12 SER N N 15 115.661 0.000 . 1 . . . A 12 SER N . 18292 1 141 . 1 1 13 13 ASN H H 1 8.563 0.000 . 1 . . . A 13 ASN H . 18292 1 142 . 1 1 13 13 ASN HA H 1 4.165 0.000 . 1 . . . A 13 ASN HA . 18292 1 143 . 1 1 13 13 ASN HB2 H 1 3.076 0.000 . 2 . . . A 13 ASN HB2 . 18292 1 144 . 1 1 13 13 ASN HB3 H 1 2.860 0.000 . 2 . . . A 13 ASN HB3 . 18292 1 145 . 1 1 13 13 ASN HD21 H 1 6.722 0.000 . 2 . . . A 13 ASN HD21 . 18292 1 146 . 1 1 13 13 ASN HD22 H 1 7.436 0.000 . 2 . . . A 13 ASN HD22 . 18292 1 147 . 1 1 13 13 ASN C C 13 171.867 0.000 . 1 . . . A 13 ASN C . 18292 1 148 . 1 1 13 13 ASN CA C 13 51.269 0.000 . 1 . . . A 13 ASN CA . 18292 1 149 . 1 1 13 13 ASN CB C 13 34.988 0.000 . 1 . . . A 13 ASN CB . 18292 1 150 . 1 1 13 13 ASN N N 15 114.812 0.000 . 1 . . . A 13 ASN N . 18292 1 151 . 1 1 13 13 ASN ND2 N 15 112.719 0.000 . 1 . . . A 13 ASN ND2 . 18292 1 152 . 1 1 14 14 MET H H 1 8.261 0.000 . 1 . . . A 14 MET H . 18292 1 153 . 1 1 14 14 MET HA H 1 4.258 0.000 . 1 . . . A 14 MET HA . 18292 1 154 . 1 1 14 14 MET HB2 H 1 1.979 0.000 . 2 . . . A 14 MET HB2 . 18292 1 155 . 1 1 14 14 MET HG2 H 1 2.217 0.000 . 2 . . . A 14 MET HG2 . 18292 1 156 . 1 1 14 14 MET HG3 H 1 2.108 0.000 . 2 . . . A 14 MET HG3 . 18292 1 157 . 1 1 14 14 MET HE1 H 1 1.490 0.000 . . . . . A 14 MET QE . 18292 1 158 . 1 1 14 14 MET HE2 H 1 1.490 0.000 . . . . . A 14 MET QE . 18292 1 159 . 1 1 14 14 MET HE3 H 1 1.490 0.000 . . . . . A 14 MET QE . 18292 1 160 . 1 1 14 14 MET C C 13 171.935 0.000 . 1 . . . A 14 MET C . 18292 1 161 . 1 1 14 14 MET CA C 13 53.020 0.000 . 1 . . . A 14 MET CA . 18292 1 162 . 1 1 14 14 MET CB C 13 29.746 0.000 . 1 . . . A 14 MET CB . 18292 1 163 . 1 1 14 14 MET CG C 13 30.729 0.000 . 1 . . . A 14 MET CG . 18292 1 164 . 1 1 14 14 MET CE C 13 13.566 0.000 . 1 . . . A 14 MET CE . 18292 1 165 . 1 1 14 14 MET N N 15 113.100 0.000 . 1 . . . A 14 MET N . 18292 1 166 . 1 1 15 15 PHE H H 1 6.804 0.000 . 1 . . . A 15 PHE H . 18292 1 167 . 1 1 15 15 PHE HA H 1 4.485 0.000 . 1 . . . A 15 PHE HA . 18292 1 168 . 1 1 15 15 PHE HB2 H 1 2.648 0.000 . 2 . . . A 15 PHE HB2 . 18292 1 169 . 1 1 15 15 PHE HB3 H 1 3.329 0.000 . 2 . . . A 15 PHE HB3 . 18292 1 170 . 1 1 15 15 PHE HD1 H 1 6.573 0.000 . 3 . . . A 15 PHE QD . 18292 1 171 . 1 1 15 15 PHE HD2 H 1 6.573 0.000 . 3 . . . A 15 PHE QD . 18292 1 172 . 1 1 15 15 PHE C C 13 170.024 0.000 . 1 . . . A 15 PHE C . 18292 1 173 . 1 1 15 15 PHE CA C 13 53.080 0.000 . 1 . . . A 15 PHE CA . 18292 1 174 . 1 1 15 15 PHE CB C 13 36.300 0.000 . 1 . . . A 15 PHE CB . 18292 1 175 . 1 1 15 15 PHE CD1 C 13 128.080 0.000 . 3 . . . A 15 PHE CD1 . 18292 1 176 . 1 1 15 15 PHE CD2 C 13 128.080 0.000 . 3 . . . A 15 PHE CD2 . 18292 1 177 . 1 1 15 15 PHE N N 15 108.769 0.000 . 1 . . . A 15 PHE N . 18292 1 178 . 1 1 16 16 ASN H H 1 8.681 0.000 . 1 . . . A 16 ASN H . 18292 1 179 . 1 1 16 16 ASN HA H 1 4.932 0.000 . 1 . . . A 16 ASN HA . 18292 1 180 . 1 1 16 16 ASN HB2 H 1 2.898 0.000 . 2 . . . A 16 ASN HB2 . 18292 1 181 . 1 1 16 16 ASN HB3 H 1 2.656 0.000 . 2 . . . A 16 ASN HB3 . 18292 1 182 . 1 1 16 16 ASN HD21 H 1 7.515 0.000 . 2 . . . A 16 ASN HD21 . 18292 1 183 . 1 1 16 16 ASN HD22 H 1 6.916 0.000 . 2 . . . A 16 ASN HD22 . 18292 1 184 . 1 1 16 16 ASN CA C 13 47.510 0.000 . 1 . . . A 16 ASN CA . 18292 1 185 . 1 1 16 16 ASN CB C 13 36.512 0.000 . 1 . . . A 16 ASN CB . 18292 1 186 . 1 1 16 16 ASN N N 15 117.922 0.000 . 1 . . . A 16 ASN N . 18292 1 187 . 1 1 16 16 ASN ND2 N 15 112.564 0.000 . 1 . . . A 16 ASN ND2 . 18292 1 188 . 1 1 17 17 PRO HA H 1 4.102 0.000 . 1 . . . A 17 PRO HA . 18292 1 189 . 1 1 17 17 PRO HB2 H 1 2.412 0.000 . 2 . . . A 17 PRO HB2 . 18292 1 190 . 1 1 17 17 PRO HG3 H 1 1.987 0.000 . 2 . . . A 17 PRO HG3 . 18292 1 191 . 1 1 17 17 PRO HD2 H 1 3.685 0.000 . 2 . . . A 17 PRO HD2 . 18292 1 192 . 1 1 17 17 PRO HD3 H 1 3.771 0.000 . 2 . . . A 17 PRO HD3 . 18292 1 193 . 1 1 17 17 PRO C C 13 174.773 0.000 . 1 . . . A 17 PRO C . 18292 1 194 . 1 1 17 17 PRO CA C 13 61.933 0.000 . 1 . . . A 17 PRO CA . 18292 1 195 . 1 1 17 17 PRO CB C 13 29.557 0.000 . 1 . . . A 17 PRO CB . 18292 1 196 . 1 1 17 17 PRO CG C 13 24.942 0.000 . 1 . . . A 17 PRO CG . 18292 1 197 . 1 1 17 17 PRO CD C 13 48.148 0.000 . 1 . . . A 17 PRO CD . 18292 1 198 . 1 1 18 18 GLN H H 1 7.934 0.000 . 1 . . . A 18 GLN H . 18292 1 199 . 1 1 18 18 GLN HA H 1 4.146 0.000 . 1 . . . A 18 GLN HA . 18292 1 200 . 1 1 18 18 GLN HB2 H 1 2.022 0.000 . 2 . . . A 18 GLN HB2 . 18292 1 201 . 1 1 18 18 GLN HB3 H 1 1.853 0.000 . 2 . . . A 18 GLN HB3 . 18292 1 202 . 1 1 18 18 GLN HG2 H 1 2.163 0.000 . 2 . . . A 18 GLN HG2 . 18292 1 203 . 1 1 18 18 GLN HG3 H 1 2.222 0.000 . 2 . . . A 18 GLN HG3 . 18292 1 204 . 1 1 18 18 GLN HE21 H 1 6.691 0.000 . 2 . . . A 18 GLN HE21 . 18292 1 205 . 1 1 18 18 GLN HE22 H 1 7.414 0.000 . 2 . . . A 18 GLN HE22 . 18292 1 206 . 1 1 18 18 GLN C C 13 174.423 0.000 . 1 . . . A 18 GLN C . 18292 1 207 . 1 1 18 18 GLN CA C 13 54.067 0.000 . 1 . . . A 18 GLN CA . 18292 1 208 . 1 1 18 18 GLN CB C 13 26.326 0.000 . 1 . . . A 18 GLN CB . 18292 1 209 . 1 1 18 18 GLN CG C 13 31.637 0.000 . 1 . . . A 18 GLN CG . 18292 1 210 . 1 1 18 18 GLN N N 15 116.462 0.000 . 1 . . . A 18 GLN N . 18292 1 211 . 1 1 18 18 GLN NE2 N 15 112.232 0.000 . 1 . . . A 18 GLN NE2 . 18292 1 212 . 1 1 19 19 THR H H 1 7.723 0.000 . 1 . . . A 19 THR H . 18292 1 213 . 1 1 19 19 THR HA H 1 4.176 0.000 . 1 . . . A 19 THR HA . 18292 1 214 . 1 1 19 19 THR HB H 1 4.170 0.000 . 1 . . . A 19 THR HB . 18292 1 215 . 1 1 19 19 THR HG21 H 1 1.058 0.000 . . . . . A 19 THR QG2 . 18292 1 216 . 1 1 19 19 THR HG22 H 1 1.058 0.000 . . . . . A 19 THR QG2 . 18292 1 217 . 1 1 19 19 THR HG23 H 1 1.058 0.000 . . . . . A 19 THR QG2 . 18292 1 218 . 1 1 19 19 THR C C 13 171.908 0.000 . 1 . . . A 19 THR C . 18292 1 219 . 1 1 19 19 THR CA C 13 59.509 0.000 . 1 . . . A 19 THR CA . 18292 1 220 . 1 1 19 19 THR CB C 13 66.360 0.000 . 1 . . . A 19 THR CB . 18292 1 221 . 1 1 19 19 THR CG2 C 13 19.156 0.000 . 1 . . . A 19 THR CG2 . 18292 1 222 . 1 1 19 19 THR N N 15 112.362 0.000 . 1 . . . A 19 THR N . 18292 1 223 . 1 1 20 20 GLU H H 1 7.312 0.000 . 1 . . . A 20 GLU H . 18292 1 224 . 1 1 20 20 GLU HA H 1 3.658 0.000 . 1 . . . A 20 GLU HA . 18292 1 225 . 1 1 20 20 GLU HB2 H 1 1.314 0.000 . 2 . . . A 20 GLU QB . 18292 1 226 . 1 1 20 20 GLU HB3 H 1 1.314 0.000 . 2 . . . A 20 GLU QB . 18292 1 227 . 1 1 20 20 GLU HG2 H 1 1.408 0.000 . 2 . . . A 20 GLU HG2 . 18292 1 228 . 1 1 20 20 GLU HG3 H 1 1.561 0.000 . 2 . . . A 20 GLU HG3 . 18292 1 229 . 1 1 20 20 GLU C C 13 173.311 0.000 . 1 . . . A 20 GLU C . 18292 1 230 . 1 1 20 20 GLU CA C 13 53.164 0.000 . 1 . . . A 20 GLU CA . 18292 1 231 . 1 1 20 20 GLU CB C 13 25.837 0.000 . 1 . . . A 20 GLU CB . 18292 1 232 . 1 1 20 20 GLU CG C 13 31.247 0.000 . 1 . . . A 20 GLU CG . 18292 1 233 . 1 1 20 20 GLU N N 15 120.326 0.000 . 1 . . . A 20 GLU N . 18292 1 234 . 1 1 21 21 GLU H H 1 8.011 0.000 . 1 . . . A 21 GLU H . 18292 1 235 . 1 1 21 21 GLU HA H 1 4.162 0.000 . 1 . . . A 21 GLU HA . 18292 1 236 . 1 1 21 21 GLU HB2 H 1 1.975 0.000 . 2 . . . A 21 GLU HB2 . 18292 1 237 . 1 1 21 21 GLU HB3 H 1 1.719 0.000 . 2 . . . A 21 GLU HB3 . 18292 1 238 . 1 1 21 21 GLU HG2 H 1 2.026 0.000 . 2 . . . A 21 GLU HG2 . 18292 1 239 . 1 1 21 21 GLU HG3 H 1 2.058 0.000 . 2 . . . A 21 GLU HG3 . 18292 1 240 . 1 1 21 21 GLU C C 13 173.747 0.000 . 1 . . . A 21 GLU C . 18292 1 241 . 1 1 21 21 GLU CA C 13 53.873 0.000 . 1 . . . A 21 GLU CA . 18292 1 242 . 1 1 21 21 GLU CB C 13 28.445 0.000 . 1 . . . A 21 GLU CB . 18292 1 243 . 1 1 21 21 GLU CG C 13 33.327 0.000 . 1 . . . A 21 GLU CG . 18292 1 244 . 1 1 21 21 GLU N N 15 120.796 0.000 . 1 . . . A 21 GLU N . 18292 1 245 . 1 1 22 22 GLU H H 1 8.039 0.000 . 1 . . . A 22 GLU H . 18292 1 246 . 1 1 22 22 GLU HA H 1 4.393 0.000 . 1 . . . A 22 GLU HA . 18292 1 247 . 1 1 22 22 GLU HB2 H 1 2.056 0.000 . 2 . . . A 22 GLU HB2 . 18292 1 248 . 1 1 22 22 GLU HB3 H 1 1.969 0.000 . 2 . . . A 22 GLU HB3 . 18292 1 249 . 1 1 22 22 GLU HG2 H 1 2.239 0.000 . 2 . . . A 22 GLU HG2 . 18292 1 250 . 1 1 22 22 GLU HG3 H 1 2.308 0.000 . 2 . . . A 22 GLU HG3 . 18292 1 251 . 1 1 22 22 GLU C C 13 173.536 0.000 . 1 . . . A 22 GLU C . 18292 1 252 . 1 1 22 22 GLU CA C 13 52.982 0.000 . 1 . . . A 22 GLU CA . 18292 1 253 . 1 1 22 22 GLU CB C 13 28.012 0.000 . 1 . . . A 22 GLU CB . 18292 1 254 . 1 1 22 22 GLU CG C 13 33.262 0.000 . 1 . . . A 22 GLU CG . 18292 1 255 . 1 1 22 22 GLU N N 15 121.370 0.000 . 1 . . . A 22 GLU N . 18292 1 256 . 1 1 23 23 VAL H H 1 8.447 0.000 . 1 . . . A 23 VAL H . 18292 1 257 . 1 1 23 23 VAL HA H 1 3.901 0.000 . 1 . . . A 23 VAL HA . 18292 1 258 . 1 1 23 23 VAL HB H 1 1.986 0.000 . 1 . . . A 23 VAL HB . 18292 1 259 . 1 1 23 23 VAL HG11 H 1 1.026 0.000 . . . . . A 23 VAL QG1 . 18292 1 260 . 1 1 23 23 VAL HG12 H 1 1.026 0.000 . . . . . A 23 VAL QG1 . 18292 1 261 . 1 1 23 23 VAL HG13 H 1 1.026 0.000 . . . . . A 23 VAL QG1 . 18292 1 262 . 1 1 23 23 VAL HG21 H 1 0.916 0.000 . . . . . A 23 VAL QG2 . 18292 1 263 . 1 1 23 23 VAL HG22 H 1 0.916 0.000 . . . . . A 23 VAL QG2 . 18292 1 264 . 1 1 23 23 VAL HG23 H 1 0.916 0.000 . . . . . A 23 VAL QG2 . 18292 1 265 . 1 1 23 23 VAL C C 13 175.077 0.000 . 1 . . . A 23 VAL C . 18292 1 266 . 1 1 23 23 VAL CA C 13 61.540 0.000 . 1 . . . A 23 VAL CA . 18292 1 267 . 1 1 23 23 VAL CB C 13 29.361 0.000 . 1 . . . A 23 VAL CB . 18292 1 268 . 1 1 23 23 VAL CG1 C 13 18.311 0.000 . 2 . . . A 23 VAL CG1 . 18292 1 269 . 1 1 23 23 VAL CG2 C 13 18.311 0.000 . 2 . . . A 23 VAL CG2 . 18292 1 270 . 1 1 23 23 VAL N N 15 123.340 0.000 . 1 . . . A 23 VAL N . 18292 1 271 . 1 1 24 24 GLY H H 1 9.087 0.000 . 1 . . . A 24 GLY H . 18292 1 272 . 1 1 24 24 GLY HA2 H 1 4.171 0.000 . 2 . . . A 24 GLY HA2 . 18292 1 273 . 1 1 24 24 GLY HA3 H 1 3.751 0.000 . 2 . . . A 24 GLY HA3 . 18292 1 274 . 1 1 24 24 GLY C C 13 173.717 0.000 . 1 . . . A 24 GLY C . 18292 1 275 . 1 1 24 24 GLY CA C 13 42.667 0.000 . 1 . . . A 24 GLY CA . 18292 1 276 . 1 1 24 24 GLY N N 15 114.476 0.000 . 1 . . . A 24 GLY N . 18292 1 277 . 1 1 25 25 TRP HA H 1 4.214 0.000 . 1 . . . A 25 TRP HA . 18292 1 278 . 1 1 25 25 TRP HB2 H 1 3.294 0.000 . 2 . . . A 25 TRP HB2 . 18292 1 279 . 1 1 25 25 TRP HB3 H 1 3.448 0.000 . 2 . . . A 25 TRP HB3 . 18292 1 280 . 1 1 25 25 TRP HD1 H 1 7.576 0.000 . 1 . . . A 25 TRP HD1 . 18292 1 281 . 1 1 25 25 TRP HE1 H 1 10.053 0.000 . 1 . . . A 25 TRP HE1 . 18292 1 282 . 1 1 25 25 TRP HE3 H 1 6.863 0.000 . 1 . . . A 25 TRP HE3 . 18292 1 283 . 1 1 25 25 TRP HZ2 H 1 7.146 0.000 . 1 . . . A 25 TRP HZ2 . 18292 1 284 . 1 1 25 25 TRP HZ3 H 1 5.352 0.000 . 1 . . . A 25 TRP HZ3 . 18292 1 285 . 1 1 25 25 TRP HH2 H 1 6.092 0.000 . 1 . . . A 25 TRP HH2 . 18292 1 286 . 1 1 25 25 TRP C C 13 174.056 0.000 . 1 . . . A 25 TRP C . 18292 1 287 . 1 1 25 25 TRP CA C 13 56.093 0.000 . 1 . . . A 25 TRP CA . 18292 1 288 . 1 1 25 25 TRP CB C 13 25.016 0.000 . 1 . . . A 25 TRP CB . 18292 1 289 . 1 1 25 25 TRP CD1 C 13 123.964 0.000 . 1 . . . A 25 TRP CD1 . 18292 1 290 . 1 1 25 25 TRP CE3 C 13 115.045 0.000 . 1 . . . A 25 TRP CE3 . 18292 1 291 . 1 1 25 25 TRP CZ2 C 13 109.100 0.000 . 1 . . . A 25 TRP CZ2 . 18292 1 292 . 1 1 25 25 TRP CZ3 C 13 116.189 0.000 . 1 . . . A 25 TRP CZ3 . 18292 1 293 . 1 1 25 25 TRP CH2 C 13 119.205 0.000 . 1 . . . A 25 TRP CH2 . 18292 1 294 . 1 1 25 25 TRP N N 15 121.382 0.000 . 1 . . . A 25 TRP N . 18292 1 295 . 1 1 25 25 TRP NE1 N 15 129.748 0.000 . 1 . . . A 25 TRP NE1 . 18292 1 296 . 1 1 26 26 ASP H H 1 7.939 0.000 . 1 . . . A 26 ASP H . 18292 1 297 . 1 1 26 26 ASP HA H 1 3.261 0.000 . 1 . . . A 26 ASP HA . 18292 1 298 . 1 1 26 26 ASP HB2 H 1 1.507 0.000 . 2 . . . A 26 ASP HB2 . 18292 1 299 . 1 1 26 26 ASP HB3 H 1 0.172 0.000 . 2 . . . A 26 ASP HB3 . 18292 1 300 . 1 1 26 26 ASP C C 13 174.709 0.000 . 1 . . . A 26 ASP C . 18292 1 301 . 1 1 26 26 ASP CA C 13 52.705 0.000 . 1 . . . A 26 ASP CA . 18292 1 302 . 1 1 26 26 ASP CB C 13 34.503 0.000 . 1 . . . A 26 ASP CB . 18292 1 303 . 1 1 26 26 ASP N N 15 118.789 0.000 . 1 . . . A 26 ASP N . 18292 1 304 . 1 1 27 27 THR H H 1 7.103 0.000 . 1 . . . A 27 THR H . 18292 1 305 . 1 1 27 27 THR HA H 1 3.552 0.000 . 1 . . . A 27 THR HA . 18292 1 306 . 1 1 27 27 THR HB H 1 4.018 0.000 . 1 . . . A 27 THR HB . 18292 1 307 . 1 1 27 27 THR HG21 H 1 1.051 0.000 . . . . . A 27 THR QG2 . 18292 1 308 . 1 1 27 27 THR HG22 H 1 1.051 0.000 . . . . . A 27 THR QG2 . 18292 1 309 . 1 1 27 27 THR HG23 H 1 1.051 0.000 . . . . . A 27 THR QG2 . 18292 1 310 . 1 1 27 27 THR C C 13 172.390 0.000 . 1 . . . A 27 THR C . 18292 1 311 . 1 1 27 27 THR CA C 13 63.307 0.000 . 1 . . . A 27 THR CA . 18292 1 312 . 1 1 27 27 THR CB C 13 65.331 0.000 . 1 . . . A 27 THR CB . 18292 1 313 . 1 1 27 27 THR CG2 C 13 19.806 0.000 . 1 . . . A 27 THR CG2 . 18292 1 314 . 1 1 27 27 THR N N 15 118.934 0.000 . 1 . . . A 27 THR N . 18292 1 315 . 1 1 28 28 GLU H H 1 7.473 0.000 . 1 . . . A 28 GLU H . 18292 1 316 . 1 1 28 28 GLU HA H 1 3.978 0.000 . 1 . . . A 28 GLU HA . 18292 1 317 . 1 1 28 28 GLU HB2 H 1 2.056 0.000 . 2 . . . A 28 GLU QB . 18292 1 318 . 1 1 28 28 GLU HB3 H 1 2.056 0.000 . 2 . . . A 28 GLU QB . 18292 1 319 . 1 1 28 28 GLU HG2 H 1 2.287 0.000 . 2 . . . A 28 GLU HG2 . 18292 1 320 . 1 1 28 28 GLU HG3 H 1 2.222 0.000 . 2 . . . A 28 GLU HG3 . 18292 1 321 . 1 1 28 28 GLU C C 13 175.447 0.000 . 1 . . . A 28 GLU C . 18292 1 322 . 1 1 28 28 GLU CA C 13 56.760 0.000 . 1 . . . A 28 GLU CA . 18292 1 323 . 1 1 28 28 GLU CB C 13 26.418 0.000 . 1 . . . A 28 GLU CB . 18292 1 324 . 1 1 28 28 GLU CG C 13 33.002 0.000 . 1 . . . A 28 GLU CG . 18292 1 325 . 1 1 28 28 GLU N N 15 120.484 0.000 . 1 . . . A 28 GLU N . 18292 1 326 . 1 1 29 29 ILE H H 1 7.113 0.000 . 1 . . . A 29 ILE H . 18292 1 327 . 1 1 29 29 ILE HA H 1 3.773 0.000 . 1 . . . A 29 ILE HA . 18292 1 328 . 1 1 29 29 ILE HB H 1 1.668 0.000 . 1 . . . A 29 ILE HB . 18292 1 329 . 1 1 29 29 ILE HG12 H 1 1.422 0.000 . . . . . A 29 ILE QG1 . 18292 1 330 . 1 1 29 29 ILE HG13 H 1 1.422 0.000 . . . . . A 29 ILE QG1 . 18292 1 331 . 1 1 29 29 ILE HG21 H 1 0.727 0.000 . . . . . A 29 ILE QG2 . 18292 1 332 . 1 1 29 29 ILE HG22 H 1 0.727 0.000 . . . . . A 29 ILE QG2 . 18292 1 333 . 1 1 29 29 ILE HG23 H 1 0.727 0.000 . . . . . A 29 ILE QG2 . 18292 1 334 . 1 1 29 29 ILE HD11 H 1 0.931 0.000 . . . . . A 29 ILE QD1 . 18292 1 335 . 1 1 29 29 ILE HD12 H 1 0.931 0.000 . . . . . A 29 ILE QD1 . 18292 1 336 . 1 1 29 29 ILE HD13 H 1 0.931 0.000 . . . . . A 29 ILE QD1 . 18292 1 337 . 1 1 29 29 ILE C C 13 174.605 0.000 . 1 . . . A 29 ILE C . 18292 1 338 . 1 1 29 29 ILE CA C 13 61.243 0.000 . 1 . . . A 29 ILE CA . 18292 1 339 . 1 1 29 29 ILE CB C 13 35.267 0.000 . 1 . . . A 29 ILE CB . 18292 1 340 . 1 1 29 29 ILE CG1 C 13 25.917 0.000 . 1 . . . A 29 ILE CG1 . 18292 1 341 . 1 1 29 29 ILE CG2 C 13 15.321 0.000 . 1 . . . A 29 ILE CG2 . 18292 1 342 . 1 1 29 29 ILE CD1 C 13 10.706 0.000 . 1 . . . A 29 ILE CD1 . 18292 1 343 . 1 1 29 29 ILE N N 15 116.961 0.000 . 1 . . . A 29 ILE N . 18292 1 344 . 1 1 30 30 LYS H H 1 7.480 0.000 . 1 . . . A 30 LYS H . 18292 1 345 . 1 1 30 30 LYS HA H 1 3.430 0.000 . 1 . . . A 30 LYS HA . 18292 1 346 . 1 1 30 30 LYS HB2 H 1 1.683 0.000 . 2 . . . A 30 LYS QB . 18292 1 347 . 1 1 30 30 LYS HB3 H 1 1.683 0.000 . 2 . . . A 30 LYS QB . 18292 1 348 . 1 1 30 30 LYS HG2 H 1 1.231 0.000 . 2 . . . A 30 LYS HG2 . 18292 1 349 . 1 1 30 30 LYS HG3 H 1 1.055 0.000 . 2 . . . A 30 LYS HG3 . 18292 1 350 . 1 1 30 30 LYS HD2 H 1 1.458 0.000 . 2 . . . A 30 LYS QD . 18292 1 351 . 1 1 30 30 LYS HD3 H 1 1.458 0.000 . 2 . . . A 30 LYS QD . 18292 1 352 . 1 1 30 30 LYS HE2 H 1 2.636 0.000 . 2 . . . A 30 LYS QE . 18292 1 353 . 1 1 30 30 LYS HE3 H 1 2.636 0.000 . 2 . . . A 30 LYS QE . 18292 1 354 . 1 1 30 30 LYS C C 13 174.886 0.000 . 1 . . . A 30 LYS C . 18292 1 355 . 1 1 30 30 LYS CA C 13 57.872 0.000 . 1 . . . A 30 LYS CA . 18292 1 356 . 1 1 30 30 LYS CB C 13 29.680 0.000 . 1 . . . A 30 LYS CB . 18292 1 357 . 1 1 30 30 LYS CG C 13 22.926 0.000 . 1 . . . A 30 LYS CG . 18292 1 358 . 1 1 30 30 LYS CD C 13 27.022 0.000 . 1 . . . A 30 LYS CD . 18292 1 359 . 1 1 30 30 LYS CE C 13 39.113 0.000 . 1 . . . A 30 LYS CE . 18292 1 360 . 1 1 30 30 LYS N N 15 118.457 0.000 . 1 . . . A 30 LYS N . 18292 1 361 . 1 1 31 31 ASP H H 1 8.334 0.000 . 1 . . . A 31 ASP H . 18292 1 362 . 1 1 31 31 ASP HA H 1 4.233 0.000 . 1 . . . A 31 ASP HA . 18292 1 363 . 1 1 31 31 ASP HB2 H 1 2.758 0.000 . 2 . . . A 31 ASP HB2 . 18292 1 364 . 1 1 31 31 ASP HB3 H 1 2.395 0.000 . 2 . . . A 31 ASP HB3 . 18292 1 365 . 1 1 31 31 ASP C C 13 175.558 0.000 . 1 . . . A 31 ASP C . 18292 1 366 . 1 1 31 31 ASP CA C 13 55.137 0.000 . 1 . . . A 31 ASP CA . 18292 1 367 . 1 1 31 31 ASP CB C 13 36.829 0.000 . 1 . . . A 31 ASP CB . 18292 1 368 . 1 1 31 31 ASP N N 15 118.630 0.000 . 1 . . . A 31 ASP N . 18292 1 369 . 1 1 32 32 ASP H H 1 8.189 0.000 . 1 . . . A 32 ASP H . 18292 1 370 . 1 1 32 32 ASP HA H 1 4.277 0.000 . 1 . . . A 32 ASP HA . 18292 1 371 . 1 1 32 32 ASP HB2 H 1 2.554 0.000 . 2 . . . A 32 ASP HB2 . 18292 1 372 . 1 1 32 32 ASP HB3 H 1 2.989 0.000 . 2 . . . A 32 ASP HB3 . 18292 1 373 . 1 1 32 32 ASP C C 13 176.966 0.000 . 1 . . . A 32 ASP C . 18292 1 374 . 1 1 32 32 ASP CA C 13 54.829 0.000 . 1 . . . A 32 ASP CA . 18292 1 375 . 1 1 32 32 ASP CB C 13 37.331 0.000 . 1 . . . A 32 ASP CB . 18292 1 376 . 1 1 32 32 ASP N N 15 120.576 0.000 . 1 . . . A 32 ASP N . 18292 1 377 . 1 1 33 33 VAL H H 1 8.069 0.000 . 1 . . . A 33 VAL H . 18292 1 378 . 1 1 33 33 VAL HA H 1 3.444 0.000 . 1 . . . A 33 VAL HA . 18292 1 379 . 1 1 33 33 VAL HB H 1 2.034 0.000 . 1 . . . A 33 VAL HB . 18292 1 380 . 1 1 33 33 VAL HG11 H 1 0.805 0.000 . . . . . A 33 VAL QG1 . 18292 1 381 . 1 1 33 33 VAL HG12 H 1 0.805 0.000 . . . . . A 33 VAL QG1 . 18292 1 382 . 1 1 33 33 VAL HG13 H 1 0.805 0.000 . . . . . A 33 VAL QG1 . 18292 1 383 . 1 1 33 33 VAL HG21 H 1 0.711 0.000 . . . . . A 33 VAL QG2 . 18292 1 384 . 1 1 33 33 VAL HG22 H 1 0.711 0.000 . . . . . A 33 VAL QG2 . 18292 1 385 . 1 1 33 33 VAL HG23 H 1 0.711 0.000 . . . . . A 33 VAL QG2 . 18292 1 386 . 1 1 33 33 VAL C C 13 175.529 0.000 . 1 . . . A 33 VAL C . 18292 1 387 . 1 1 33 33 VAL CA C 13 64.511 0.000 . 1 . . . A 33 VAL CA . 18292 1 388 . 1 1 33 33 VAL CB C 13 28.920 0.000 . 1 . . . A 33 VAL CB . 18292 1 389 . 1 1 33 33 VAL CG1 C 13 20.998 0.000 . 2 . . . A 33 VAL CG1 . 18292 1 390 . 1 1 33 33 VAL CG2 C 13 20.311 0.000 . 2 . . . A 33 VAL CG2 . 18292 1 391 . 1 1 33 33 VAL N N 15 121.083 0.000 . 1 . . . A 33 VAL N . 18292 1 392 . 1 1 34 34 ILE H H 1 8.887 0.000 . 1 . . . A 34 ILE H . 18292 1 393 . 1 1 34 34 ILE HA H 1 3.272 0.000 . 1 . . . A 34 ILE HA . 18292 1 394 . 1 1 34 34 ILE HB H 1 1.614 0.000 . 1 . . . A 34 ILE HB . 18292 1 395 . 1 1 34 34 ILE HG12 H 1 1.797 0.000 . . . . . A 34 ILE QG1 . 18292 1 396 . 1 1 34 34 ILE HG13 H 1 1.797 0.000 . . . . . A 34 ILE QG1 . 18292 1 397 . 1 1 34 34 ILE HG21 H 1 0.491 0.000 . . . . . A 34 ILE QG2 . 18292 1 398 . 1 1 34 34 ILE HG22 H 1 0.491 0.000 . . . . . A 34 ILE QG2 . 18292 1 399 . 1 1 34 34 ILE HG23 H 1 0.491 0.000 . . . . . A 34 ILE QG2 . 18292 1 400 . 1 1 34 34 ILE HD11 H 1 0.565 0.000 . . . . . A 34 ILE QD1 . 18292 1 401 . 1 1 34 34 ILE HD12 H 1 0.565 0.000 . . . . . A 34 ILE QD1 . 18292 1 402 . 1 1 34 34 ILE HD13 H 1 0.565 0.000 . . . . . A 34 ILE QD1 . 18292 1 403 . 1 1 34 34 ILE C C 13 174.723 0.000 . 1 . . . A 34 ILE C . 18292 1 404 . 1 1 34 34 ILE CA C 13 63.723 0.000 . 1 . . . A 34 ILE CA . 18292 1 405 . 1 1 34 34 ILE CB C 13 35.949 0.000 . 1 . . . A 34 ILE CB . 18292 1 406 . 1 1 34 34 ILE CG1 C 13 26.669 0.000 . 1 . . . A 34 ILE CG1 . 18292 1 407 . 1 1 34 34 ILE CG2 C 13 14.639 0.000 . 1 . . . A 34 ILE CG2 . 18292 1 408 . 1 1 34 34 ILE CD1 C 13 12.186 0.000 . 1 . . . A 34 ILE CD1 . 18292 1 409 . 1 1 34 34 ILE N N 15 122.145 0.000 . 1 . . . A 34 ILE N . 18292 1 410 . 1 1 35 35 GLU H H 1 8.565 0.000 . 1 . . . A 35 GLU H . 18292 1 411 . 1 1 35 35 GLU HA H 1 3.830 0.000 . 1 . . . A 35 GLU HA . 18292 1 412 . 1 1 35 35 GLU HB2 H 1 2.113 0.000 . 2 . . . A 35 GLU HB2 . 18292 1 413 . 1 1 35 35 GLU HB3 H 1 2.004 0.000 . 2 . . . A 35 GLU HB3 . 18292 1 414 . 1 1 35 35 GLU HG2 H 1 2.317 0.000 . 2 . . . A 35 GLU HG2 . 18292 1 415 . 1 1 35 35 GLU HG3 H 1 2.123 0.000 . 2 . . . A 35 GLU HG3 . 18292 1 416 . 1 1 35 35 GLU C C 13 176.747 0.000 . 1 . . . A 35 GLU C . 18292 1 417 . 1 1 35 35 GLU CA C 13 57.183 0.000 . 1 . . . A 35 GLU CA . 18292 1 418 . 1 1 35 35 GLU CB C 13 26.969 0.000 . 1 . . . A 35 GLU CB . 18292 1 419 . 1 1 35 35 GLU CG C 13 34.059 0.000 . 1 . . . A 35 GLU CG . 18292 1 420 . 1 1 35 35 GLU N N 15 117.927 0.000 . 1 . . . A 35 GLU N . 18292 1 421 . 1 1 36 36 GLU H H 1 7.523 0.000 . 1 . . . A 36 GLU H . 18292 1 422 . 1 1 36 36 GLU HA H 1 4.012 0.000 . 1 . . . A 36 GLU HA . 18292 1 423 . 1 1 36 36 GLU HB2 H 1 2.254 0.000 . 2 . . . A 36 GLU HB2 . 18292 1 424 . 1 1 36 36 GLU HB3 H 1 2.034 0.000 . 2 . . . A 36 GLU HB3 . 18292 1 425 . 1 1 36 36 GLU HG2 H 1 2.349 0.000 . 2 . . . A 36 GLU HG2 . 18292 1 426 . 1 1 36 36 GLU C C 13 176.604 0.000 . 1 . . . A 36 GLU C . 18292 1 427 . 1 1 36 36 GLU CA C 13 56.357 0.000 . 1 . . . A 36 GLU CA . 18292 1 428 . 1 1 36 36 GLU CB C 13 26.612 0.000 . 1 . . . A 36 GLU CB . 18292 1 429 . 1 1 36 36 GLU CG C 13 33.315 0.000 . 1 . . . A 36 GLU CG . 18292 1 430 . 1 1 36 36 GLU N N 15 117.299 0.000 . 1 . . . A 36 GLU N . 18292 1 431 . 1 1 37 37 CYS H H 1 8.754 0.000 . 1 . . . A 37 CYS H . 18292 1 432 . 1 1 37 37 CYS HA H 1 4.141 0.000 . 1 . . . A 37 CYS HA . 18292 1 433 . 1 1 37 37 CYS HB2 H 1 2.805 0.000 . 2 . . . A 37 CYS HB2 . 18292 1 434 . 1 1 37 37 CYS HB3 H 1 2.612 0.000 . 2 . . . A 37 CYS HB3 . 18292 1 435 . 1 1 37 37 CYS C C 13 175.888 0.000 . 1 . . . A 37 CYS C . 18292 1 436 . 1 1 37 37 CYS CA C 13 61.915 0.000 . 1 . . . A 37 CYS CA . 18292 1 437 . 1 1 37 37 CYS CB C 13 24.513 0.000 . 1 . . . A 37 CYS CB . 18292 1 438 . 1 1 37 37 CYS N N 15 116.308 0.000 . 1 . . . A 37 CYS N . 18292 1 439 . 1 1 38 38 ASN H H 1 8.800 0.000 . 1 . . . A 38 ASN H . 18292 1 440 . 1 1 38 38 ASN HA H 1 4.452 0.000 . 1 . . . A 38 ASN HA . 18292 1 441 . 1 1 38 38 ASN HB2 H 1 2.834 0.000 . 2 . . . A 38 ASN QB . 18292 1 442 . 1 1 38 38 ASN HB3 H 1 2.834 0.000 . 2 . . . A 38 ASN QB . 18292 1 443 . 1 1 38 38 ASN HD21 H 1 6.641 0.000 . 2 . . . A 38 ASN HD21 . 18292 1 444 . 1 1 38 38 ASN HD22 H 1 7.661 0.000 . 2 . . . A 38 ASN HD22 . 18292 1 445 . 1 1 38 38 ASN C C 13 174.340 0.000 . 1 . . . A 38 ASN C . 18292 1 446 . 1 1 38 38 ASN CA C 13 52.249 0.000 . 1 . . . A 38 ASN CA . 18292 1 447 . 1 1 38 38 ASN CB C 13 34.488 0.000 . 1 . . . A 38 ASN CB . 18292 1 448 . 1 1 38 38 ASN N N 15 121.598 0.000 . 1 . . . A 38 ASN N . 18292 1 449 . 1 1 38 38 ASN ND2 N 15 107.322 0.000 . 1 . . . A 38 ASN ND2 . 18292 1 450 . 1 1 39 39 LYS H H 1 7.427 0.000 . 1 . . . A 39 LYS H . 18292 1 451 . 1 1 39 39 LYS HA H 1 4.002 0.000 . 1 . . . A 39 LYS HA . 18292 1 452 . 1 1 39 39 LYS HB2 H 1 1.420 0.000 . 2 . . . A 39 LYS HB2 . 18292 1 453 . 1 1 39 39 LYS HB3 H 1 0.994 0.000 . 2 . . . A 39 LYS HB3 . 18292 1 454 . 1 1 39 39 LYS HG2 H 1 1.190 0.000 . 2 . . . A 39 LYS HG2 . 18292 1 455 . 1 1 39 39 LYS HG3 H 1 1.462 0.000 . 2 . . . A 39 LYS HG3 . 18292 1 456 . 1 1 39 39 LYS HD2 H 1 1.574 0.000 . 2 . . . A 39 LYS HD2 . 18292 1 457 . 1 1 39 39 LYS HE2 H 1 2.782 0.000 . 2 . . . A 39 LYS HE2 . 18292 1 458 . 1 1 39 39 LYS HE3 H 1 2.858 0.000 . 2 . . . A 39 LYS HE3 . 18292 1 459 . 1 1 39 39 LYS C C 13 174.388 0.000 . 1 . . . A 39 LYS C . 18292 1 460 . 1 1 39 39 LYS CA C 13 55.239 0.000 . 1 . . . A 39 LYS CA . 18292 1 461 . 1 1 39 39 LYS CB C 13 29.477 0.000 . 1 . . . A 39 LYS CB . 18292 1 462 . 1 1 39 39 LYS CG C 13 22.717 0.000 . 1 . . . A 39 LYS CG . 18292 1 463 . 1 1 39 39 LYS CD C 13 26.956 0.000 . 1 . . . A 39 LYS CD . 18292 1 464 . 1 1 39 39 LYS CE C 13 39.559 0.000 . 1 . . . A 39 LYS CE . 18292 1 465 . 1 1 39 39 LYS N N 15 119.297 0.000 . 1 . . . A 39 LYS N . 18292 1 466 . 1 1 40 40 HIS H H 1 7.453 0.000 . 1 . . . A 40 HIS H . 18292 1 467 . 1 1 40 40 HIS HA H 1 4.896 0.000 . 1 . . . A 40 HIS HA . 18292 1 468 . 1 1 40 40 HIS HB2 H 1 3.459 0.000 . 2 . . . A 40 HIS HB2 . 18292 1 469 . 1 1 40 40 HIS HB3 H 1 3.164 0.000 . 2 . . . A 40 HIS HB3 . 18292 1 470 . 1 1 40 40 HIS HD2 H 1 7.015 0.000 . 1 . . . A 40 HIS HD2 . 18292 1 471 . 1 1 40 40 HIS HE1 H 1 7.650 0.000 . 1 . . . A 40 HIS HE1 . 18292 1 472 . 1 1 40 40 HIS C C 13 171.895 0.000 . 1 . . . A 40 HIS C . 18292 1 473 . 1 1 40 40 HIS CA C 13 51.758 0.000 . 1 . . . A 40 HIS CA . 18292 1 474 . 1 1 40 40 HIS CB C 13 28.775 0.000 . 1 . . . A 40 HIS CB . 18292 1 475 . 1 1 40 40 HIS CD2 C 13 116.300 0.000 . 1 . . . A 40 HIS CD2 . 18292 1 476 . 1 1 40 40 HIS CE1 C 13 134.054 0.000 . 1 . . . A 40 HIS CE1 . 18292 1 477 . 1 1 40 40 HIS N N 15 114.421 0.000 . 1 . . . A 40 HIS N . 18292 1 478 . 1 1 41 41 GLY H H 1 7.599 0.000 . 1 . . . A 41 GLY H . 18292 1 479 . 1 1 41 41 GLY HA2 H 1 4.418 0.000 . 2 . . . A 41 GLY HA2 . 18292 1 480 . 1 1 41 41 GLY HA3 H 1 3.690 0.000 . 2 . . . A 41 GLY HA3 . 18292 1 481 . 1 1 41 41 GLY C C 13 171.376 0.000 . 1 . . . A 41 GLY C . 18292 1 482 . 1 1 41 41 GLY CA C 13 42.388 0.000 . 1 . . . A 41 GLY CA . 18292 1 483 . 1 1 41 41 GLY N N 15 106.587 0.000 . 1 . . . A 41 GLY N . 18292 1 484 . 1 1 42 42 GLY H H 1 7.942 0.000 . 1 . . . A 42 GLY H . 18292 1 485 . 1 1 42 42 GLY HA2 H 1 4.427 0.000 . 2 . . . A 42 GLY HA2 . 18292 1 486 . 1 1 42 42 GLY HA3 H 1 3.816 0.000 . 2 . . . A 42 GLY HA3 . 18292 1 487 . 1 1 42 42 GLY C C 13 169.120 0.000 . 1 . . . A 42 GLY C . 18292 1 488 . 1 1 42 42 GLY CA C 13 41.518 0.000 . 1 . . . A 42 GLY CA . 18292 1 489 . 1 1 42 42 GLY N N 15 107.066 0.000 . 1 . . . A 42 GLY N . 18292 1 490 . 1 1 43 43 VAL H H 1 8.679 0.000 . 1 . . . A 43 VAL H . 18292 1 491 . 1 1 43 43 VAL HA H 1 4.527 0.000 . 1 . . . A 43 VAL HA . 18292 1 492 . 1 1 43 43 VAL HB H 1 2.100 0.000 . 1 . . . A 43 VAL HB . 18292 1 493 . 1 1 43 43 VAL HG11 H 1 0.875 0.000 . . . . . A 43 VAL QG1 . 18292 1 494 . 1 1 43 43 VAL HG12 H 1 0.875 0.000 . . . . . A 43 VAL QG1 . 18292 1 495 . 1 1 43 43 VAL HG13 H 1 0.875 0.000 . . . . . A 43 VAL QG1 . 18292 1 496 . 1 1 43 43 VAL HG21 H 1 0.862 0.000 . . . . . A 43 VAL QG2 . 18292 1 497 . 1 1 43 43 VAL HG22 H 1 0.862 0.000 . . . . . A 43 VAL QG2 . 18292 1 498 . 1 1 43 43 VAL HG23 H 1 0.862 0.000 . . . . . A 43 VAL QG2 . 18292 1 499 . 1 1 43 43 VAL C C 13 169.861 0.000 . 1 . . . A 43 VAL C . 18292 1 500 . 1 1 43 43 VAL CA C 13 58.404 0.000 . 1 . . . A 43 VAL CA . 18292 1 501 . 1 1 43 43 VAL CB C 13 31.692 0.000 . 1 . . . A 43 VAL CB . 18292 1 502 . 1 1 43 43 VAL CG1 C 13 21.571 0.000 . 2 . . . A 43 VAL CG1 . 18292 1 503 . 1 1 43 43 VAL CG2 C 13 19.382 0.000 . 2 . . . A 43 VAL CG2 . 18292 1 504 . 1 1 43 43 VAL N N 15 114.640 0.000 . 1 . . . A 43 VAL N . 18292 1 505 . 1 1 44 44 ILE H H 1 8.587 0.000 . 1 . . . A 44 ILE H . 18292 1 506 . 1 1 44 44 ILE HA H 1 4.918 0.000 . 1 . . . A 44 ILE HA . 18292 1 507 . 1 1 44 44 ILE HB H 1 1.760 0.000 . 1 . . . A 44 ILE HB . 18292 1 508 . 1 1 44 44 ILE HG12 H 1 0.947 0.000 . 2 . . . A 44 ILE HG12 . 18292 1 509 . 1 1 44 44 ILE HG13 H 1 0.444 0.000 . 2 . . . A 44 ILE HG13 . 18292 1 510 . 1 1 44 44 ILE HG21 H 1 0.579 0.000 . . . . . A 44 ILE QG2 . 18292 1 511 . 1 1 44 44 ILE HG22 H 1 0.579 0.000 . . . . . A 44 ILE QG2 . 18292 1 512 . 1 1 44 44 ILE HG23 H 1 0.579 0.000 . . . . . A 44 ILE QG2 . 18292 1 513 . 1 1 44 44 ILE HD11 H 1 0.660 0.000 . . . . . A 44 ILE QD1 . 18292 1 514 . 1 1 44 44 ILE HD12 H 1 0.660 0.000 . . . . . A 44 ILE QD1 . 18292 1 515 . 1 1 44 44 ILE HD13 H 1 0.660 0.000 . . . . . A 44 ILE QD1 . 18292 1 516 . 1 1 44 44 ILE C C 13 172.246 0.000 . 1 . . . A 44 ILE C . 18292 1 517 . 1 1 44 44 ILE CA C 13 57.770 0.000 . 1 . . . A 44 ILE CA . 18292 1 518 . 1 1 44 44 ILE CB C 13 37.197 0.000 . 1 . . . A 44 ILE CB . 18292 1 519 . 1 1 44 44 ILE CG1 C 13 23.634 0.000 . 1 . . . A 44 ILE CG1 . 18292 1 520 . 1 1 44 44 ILE CG2 C 13 16.014 0.000 . 1 . . . A 44 ILE CG2 . 18292 1 521 . 1 1 44 44 ILE CD1 C 13 10.858 0.000 . 1 . . . A 44 ILE CD1 . 18292 1 522 . 1 1 44 44 ILE N N 15 115.792 0.000 . 1 . . . A 44 ILE N . 18292 1 523 . 1 1 45 45 HIS H H 1 7.791 0.000 . 1 . . . A 45 HIS H . 18292 1 524 . 1 1 45 45 HIS HA H 1 4.426 0.000 . 1 . . . A 45 HIS HA . 18292 1 525 . 1 1 45 45 HIS HB2 H 1 3.048 0.000 . 2 . . . A 45 HIS HB2 . 18292 1 526 . 1 1 45 45 HIS HB3 H 1 2.774 0.000 . 2 . . . A 45 HIS HB3 . 18292 1 527 . 1 1 45 45 HIS HD2 H 1 6.968 0.000 . 1 . . . A 45 HIS HD2 . 18292 1 528 . 1 1 45 45 HIS HE1 H 1 8.016 0.000 . 1 . . . A 45 HIS HE1 . 18292 1 529 . 1 1 45 45 HIS C C 13 168.452 0.000 . 1 . . . A 45 HIS C . 18292 1 530 . 1 1 45 45 HIS CA C 13 55.548 0.000 . 1 . . . A 45 HIS CA . 18292 1 531 . 1 1 45 45 HIS CB C 13 31.632 0.000 . 1 . . . A 45 HIS CB . 18292 1 532 . 1 1 45 45 HIS CD2 C 13 112.834 0.000 . 1 . . . A 45 HIS CD2 . 18292 1 533 . 1 1 45 45 HIS CE1 C 13 133.033 0.000 . 1 . . . A 45 HIS CE1 . 18292 1 534 . 1 1 45 45 HIS N N 15 122.684 0.000 . 1 . . . A 45 HIS N . 18292 1 535 . 1 1 46 46 ILE H H 1 7.391 0.000 . 1 . . . A 46 ILE H . 18292 1 536 . 1 1 46 46 ILE HA H 1 5.120 0.000 . 1 . . . A 46 ILE HA . 18292 1 537 . 1 1 46 46 ILE HB H 1 1.215 0.000 . 1 . . . A 46 ILE HB . 18292 1 538 . 1 1 46 46 ILE HG12 H 1 1.589 0.000 . . . . . A 46 ILE QG1 . 18292 1 539 . 1 1 46 46 ILE HG13 H 1 1.589 0.000 . . . . . A 46 ILE QG1 . 18292 1 540 . 1 1 46 46 ILE HG21 H 1 0.493 0.000 . . . . . A 46 ILE QG2 . 18292 1 541 . 1 1 46 46 ILE HG22 H 1 0.493 0.000 . . . . . A 46 ILE QG2 . 18292 1 542 . 1 1 46 46 ILE HG23 H 1 0.493 0.000 . . . . . A 46 ILE QG2 . 18292 1 543 . 1 1 46 46 ILE HD11 H 1 0.632 0.000 . . . . . A 46 ILE QD1 . 18292 1 544 . 1 1 46 46 ILE HD12 H 1 0.632 0.000 . . . . . A 46 ILE QD1 . 18292 1 545 . 1 1 46 46 ILE HD13 H 1 0.632 0.000 . . . . . A 46 ILE QD1 . 18292 1 546 . 1 1 46 46 ILE C C 13 170.171 0.000 . 1 . . . A 46 ILE C . 18292 1 547 . 1 1 46 46 ILE CA C 13 56.063 0.000 . 1 . . . A 46 ILE CA . 18292 1 548 . 1 1 46 46 ILE CB C 13 39.753 0.000 . 1 . . . A 46 ILE CB . 18292 1 549 . 1 1 46 46 ILE CG1 C 13 26.268 0.000 . 1 . . . A 46 ILE CG1 . 18292 1 550 . 1 1 46 46 ILE CG2 C 13 13.688 0.000 . 1 . . . A 46 ILE CG2 . 18292 1 551 . 1 1 46 46 ILE CD1 C 13 13.665 0.000 . 1 . . . A 46 ILE CD1 . 18292 1 552 . 1 1 46 46 ILE N N 15 123.917 0.000 . 1 . . . A 46 ILE N . 18292 1 553 . 1 1 47 47 TYR H H 1 9.055 0.000 . 1 . . . A 47 TYR H . 18292 1 554 . 1 1 47 47 TYR HA H 1 4.370 0.000 . 1 . . . A 47 TYR HA . 18292 1 555 . 1 1 47 47 TYR HB2 H 1 2.113 0.000 . 2 . . . A 47 TYR HB2 . 18292 1 556 . 1 1 47 47 TYR HD1 H 1 6.963 0.000 . 3 . . . A 47 TYR QD . 18292 1 557 . 1 1 47 47 TYR HD2 H 1 6.963 0.000 . 3 . . . A 47 TYR QD . 18292 1 558 . 1 1 47 47 TYR HE1 H 1 6.873 0.000 . 3 . . . A 47 TYR HE1 . 18292 1 559 . 1 1 47 47 TYR HE2 H 1 6.814 0.000 . 3 . . . A 47 TYR HE2 . 18292 1 560 . 1 1 47 47 TYR C C 13 171.029 0.000 . 1 . . . A 47 TYR C . 18292 1 561 . 1 1 47 47 TYR CA C 13 54.800 0.000 . 1 . . . A 47 TYR CA . 18292 1 562 . 1 1 47 47 TYR CB C 13 39.851 0.000 . 1 . . . A 47 TYR CB . 18292 1 563 . 1 1 47 47 TYR CD1 C 13 128.709 0.000 . 3 . . . A 47 TYR CD1 . 18292 1 564 . 1 1 47 47 TYR CD2 C 13 128.709 0.000 . 3 . . . A 47 TYR CD2 . 18292 1 565 . 1 1 47 47 TYR CE1 C 13 113.194 0.000 . 3 . . . A 47 TYR CE1 . 18292 1 566 . 1 1 47 47 TYR CE2 C 13 112.858 0.000 . 3 . . . A 47 TYR CE2 . 18292 1 567 . 1 1 47 47 TYR N N 15 125.750 0.000 . 1 . . . A 47 TYR N . 18292 1 568 . 1 1 48 48 VAL H H 1 8.290 0.000 . 1 . . . A 48 VAL H . 18292 1 569 . 1 1 48 48 VAL HA H 1 3.869 0.000 . 1 . . . A 48 VAL HA . 18292 1 570 . 1 1 48 48 VAL HB H 1 1.609 0.000 . 1 . . . A 48 VAL HB . 18292 1 571 . 1 1 48 48 VAL HG11 H 1 0.633 0.000 . . . . . A 48 VAL QG1 . 18292 1 572 . 1 1 48 48 VAL HG12 H 1 0.633 0.000 . . . . . A 48 VAL QG1 . 18292 1 573 . 1 1 48 48 VAL HG13 H 1 0.633 0.000 . . . . . A 48 VAL QG1 . 18292 1 574 . 1 1 48 48 VAL HG21 H 1 0.357 0.000 . . . . . A 48 VAL QG2 . 18292 1 575 . 1 1 48 48 VAL HG22 H 1 0.357 0.000 . . . . . A 48 VAL QG2 . 18292 1 576 . 1 1 48 48 VAL HG23 H 1 0.357 0.000 . . . . . A 48 VAL QG2 . 18292 1 577 . 1 1 48 48 VAL C C 13 170.949 0.000 . 1 . . . A 48 VAL C . 18292 1 578 . 1 1 48 48 VAL CA C 13 59.328 0.000 . 1 . . . A 48 VAL CA . 18292 1 579 . 1 1 48 48 VAL CB C 13 29.022 0.000 . 1 . . . A 48 VAL CB . 18292 1 580 . 1 1 48 48 VAL CG1 C 13 18.134 0.000 . 2 . . . A 48 VAL CG1 . 18292 1 581 . 1 1 48 48 VAL CG2 C 13 19.165 0.000 . 2 . . . A 48 VAL CG2 . 18292 1 582 . 1 1 48 48 VAL N N 15 129.720 0.000 . 1 . . . A 48 VAL N . 18292 1 583 . 1 1 49 49 ASP H H 1 8.274 0.000 . 1 . . . A 49 ASP H . 18292 1 584 . 1 1 49 49 ASP HA H 1 4.703 0.000 . 1 . . . A 49 ASP HA . 18292 1 585 . 1 1 49 49 ASP HB2 H 1 3.573 0.000 . 2 . . . A 49 ASP HB2 . 18292 1 586 . 1 1 49 49 ASP HB3 H 1 2.664 0.000 . 2 . . . A 49 ASP HB3 . 18292 1 587 . 1 1 49 49 ASP C C 13 173.851 0.000 . 1 . . . A 49 ASP C . 18292 1 588 . 1 1 49 49 ASP CA C 13 50.349 0.000 . 1 . . . A 49 ASP CA . 18292 1 589 . 1 1 49 49 ASP CB C 13 38.139 0.000 . 1 . . . A 49 ASP CB . 18292 1 590 . 1 1 49 49 ASP N N 15 125.287 0.000 . 1 . . . A 49 ASP N . 18292 1 591 . 1 1 50 50 LYS H H 1 8.090 0.000 . 1 . . . A 50 LYS H . 18292 1 592 . 1 1 50 50 LYS HA H 1 4.096 0.000 . 1 . . . A 50 LYS HA . 18292 1 593 . 1 1 50 50 LYS HB2 H 1 1.831 0.000 . 2 . . . A 50 LYS HB2 . 18292 1 594 . 1 1 50 50 LYS HG2 H 1 1.327 0.000 . 2 . . . A 50 LYS HG2 . 18292 1 595 . 1 1 50 50 LYS HG3 H 1 1.126 0.000 . 2 . . . A 50 LYS HG3 . 18292 1 596 . 1 1 50 50 LYS HD2 H 1 1.486 0.000 . 2 . . . A 50 LYS HD2 . 18292 1 597 . 1 1 50 50 LYS HE2 H 1 2.664 0.000 . 2 . . . A 50 LYS HE2 . 18292 1 598 . 1 1 50 50 LYS HE3 H 1 2.784 0.000 . 2 . . . A 50 LYS HE3 . 18292 1 599 . 1 1 50 50 LYS C C 13 173.120 0.000 . 1 . . . A 50 LYS C . 18292 1 600 . 1 1 50 50 LYS CA C 13 56.284 0.000 . 1 . . . A 50 LYS CA . 18292 1 601 . 1 1 50 50 LYS CB C 13 29.763 0.000 . 1 . . . A 50 LYS CB . 18292 1 602 . 1 1 50 50 LYS CG C 13 22.144 0.000 . 1 . . . A 50 LYS CG . 18292 1 603 . 1 1 50 50 LYS CD C 13 26.555 0.000 . 1 . . . A 50 LYS CD . 18292 1 604 . 1 1 50 50 LYS CE C 13 39.101 0.000 . 1 . . . A 50 LYS CE . 18292 1 605 . 1 1 50 50 LYS N N 15 125.099 0.000 . 1 . . . A 50 LYS N . 18292 1 606 . 1 1 51 51 ASN H H 1 8.272 0.000 . 1 . . . A 51 ASN H . 18292 1 607 . 1 1 51 51 ASN HA H 1 4.931 0.000 . 1 . . . A 51 ASN HA . 18292 1 608 . 1 1 51 51 ASN HB2 H 1 3.006 0.000 . 2 . . . A 51 ASN HB2 . 18292 1 609 . 1 1 51 51 ASN HB3 H 1 2.801 0.000 . 2 . . . A 51 ASN HB3 . 18292 1 610 . 1 1 51 51 ASN HD21 H 1 6.958 0.000 . 2 . . . A 51 ASN HD21 . 18292 1 611 . 1 1 51 51 ASN HD22 H 1 7.756 0.000 . 2 . . . A 51 ASN HD22 . 18292 1 612 . 1 1 51 51 ASN C C 13 172.685 0.000 . 1 . . . A 51 ASN C . 18292 1 613 . 1 1 51 51 ASN CA C 13 50.744 0.000 . 1 . . . A 51 ASN CA . 18292 1 614 . 1 1 51 51 ASN CB C 13 37.036 0.000 . 1 . . . A 51 ASN CB . 18292 1 615 . 1 1 51 51 ASN N N 15 114.422 0.000 . 1 . . . A 51 ASN N . 18292 1 616 . 1 1 51 51 ASN ND2 N 15 113.667 0.000 . 1 . . . A 51 ASN ND2 . 18292 1 617 . 1 1 52 52 SER H H 1 7.920 0.000 . 1 . . . A 52 SER H . 18292 1 618 . 1 1 52 52 SER HA H 1 4.410 0.000 . 1 . . . A 52 SER HA . 18292 1 619 . 1 1 52 52 SER HB2 H 1 4.267 0.000 . 2 . . . A 52 SER HB2 . 18292 1 620 . 1 1 52 52 SER HB3 H 1 4.200 0.000 . 2 . . . A 52 SER HB3 . 18292 1 621 . 1 1 52 52 SER C C 13 172.628 0.000 . 1 . . . A 52 SER C . 18292 1 622 . 1 1 52 52 SER CA C 13 55.035 0.000 . 1 . . . A 52 SER CA . 18292 1 623 . 1 1 52 52 SER CB C 13 61.604 0.000 . 1 . . . A 52 SER CB . 18292 1 624 . 1 1 52 52 SER N N 15 115.013 0.000 . 1 . . . A 52 SER N . 18292 1 625 . 1 1 53 53 ALA H H 1 8.837 0.000 . 1 . . . A 53 ALA H . 18292 1 626 . 1 1 53 53 ALA HA H 1 4.088 0.000 . 1 . . . A 53 ALA HA . 18292 1 627 . 1 1 53 53 ALA HB1 H 1 1.392 0.000 . . . . . A 53 ALA QB . 18292 1 628 . 1 1 53 53 ALA HB2 H 1 1.392 0.000 . . . . . A 53 ALA QB . 18292 1 629 . 1 1 53 53 ALA HB3 H 1 1.392 0.000 . . . . . A 53 ALA QB . 18292 1 630 . 1 1 53 53 ALA C C 13 175.951 0.000 . 1 . . . A 53 ALA C . 18292 1 631 . 1 1 53 53 ALA CA C 13 51.409 0.000 . 1 . . . A 53 ALA CA . 18292 1 632 . 1 1 53 53 ALA CB C 13 15.878 0.000 . 1 . . . A 53 ALA CB . 18292 1 633 . 1 1 53 53 ALA N N 15 129.163 0.000 . 1 . . . A 53 ALA N . 18292 1 634 . 1 1 54 54 GLN H H 1 7.836 0.000 . 1 . . . A 54 GLN H . 18292 1 635 . 1 1 54 54 GLN HA H 1 4.202 0.000 . 1 . . . A 54 GLN HA . 18292 1 636 . 1 1 54 54 GLN HB2 H 1 2.164 0.000 . 2 . . . A 54 GLN HB2 . 18292 1 637 . 1 1 54 54 GLN HB3 H 1 1.830 0.000 . 2 . . . A 54 GLN HB3 . 18292 1 638 . 1 1 54 54 GLN HG2 H 1 2.372 0.000 . 2 . . . A 54 GLN HG2 . 18292 1 639 . 1 1 54 54 GLN HG3 H 1 2.286 0.000 . 2 . . . A 54 GLN HG3 . 18292 1 640 . 1 1 54 54 GLN HE21 H 1 7.515 0.000 . 2 . . . A 54 GLN HE21 . 18292 1 641 . 1 1 54 54 GLN HE22 H 1 6.790 0.000 . 2 . . . A 54 GLN HE22 . 18292 1 642 . 1 1 54 54 GLN C C 13 173.388 0.000 . 1 . . . A 54 GLN C . 18292 1 643 . 1 1 54 54 GLN CA C 13 52.993 0.000 . 1 . . . A 54 GLN CA . 18292 1 644 . 1 1 54 54 GLN CB C 13 26.360 0.000 . 1 . . . A 54 GLN CB . 18292 1 645 . 1 1 54 54 GLN CG C 13 31.997 0.000 . 1 . . . A 54 GLN CG . 18292 1 646 . 1 1 54 54 GLN N N 15 113.081 0.000 . 1 . . . A 54 GLN N . 18292 1 647 . 1 1 54 54 GLN NE2 N 15 112.272 0.000 . 1 . . . A 54 GLN NE2 . 18292 1 648 . 1 1 55 55 GLY H H 1 7.191 0.000 . 1 . . . A 55 GLY H . 18292 1 649 . 1 1 55 55 GLY HA2 H 1 1.799 0.000 . 2 . . . A 55 GLY HA2 . 18292 1 650 . 1 1 55 55 GLY HA3 H 1 2.932 0.000 . 2 . . . A 55 GLY HA3 . 18292 1 651 . 1 1 55 55 GLY CA C 13 45.087 0.000 . 1 . . . A 55 GLY CA . 18292 1 652 . 1 1 55 55 GLY N N 15 108.967 0.000 . 1 . . . A 55 GLY N . 18292 1 653 . 1 1 56 56 ASN H H 1 7.614 0.000 . 1 . . . A 56 ASN H . 18292 1 654 . 1 1 56 56 ASN HA H 1 5.520 0.000 . 1 . . . A 56 ASN HA . 18292 1 655 . 1 1 56 56 ASN HB2 H 1 2.150 0.000 . 2 . . . A 56 ASN HB2 . 18292 1 656 . 1 1 56 56 ASN HB3 H 1 2.781 0.000 . 2 . . . A 56 ASN HB3 . 18292 1 657 . 1 1 56 56 ASN HD21 H 1 7.486 0.000 . 2 . . . A 56 ASN HD21 . 18292 1 658 . 1 1 56 56 ASN HD22 H 1 6.661 0.000 . 2 . . . A 56 ASN HD22 . 18292 1 659 . 1 1 56 56 ASN C C 13 172.166 0.000 . 1 . . . A 56 ASN C . 18292 1 660 . 1 1 56 56 ASN CA C 13 50.462 0.000 . 1 . . . A 56 ASN CA . 18292 1 661 . 1 1 56 56 ASN CB C 13 38.400 0.000 . 1 . . . A 56 ASN CB . 18292 1 662 . 1 1 56 56 ASN N N 15 114.505 0.000 . 1 . . . A 56 ASN N . 18292 1 663 . 1 1 56 56 ASN ND2 N 15 110.609 0.000 . 1 . . . A 56 ASN ND2 . 18292 1 664 . 1 1 57 57 VAL H H 1 8.354 0.000 . 1 . . . A 57 VAL H . 18292 1 665 . 1 1 57 57 VAL HA H 1 4.692 0.000 . 1 . . . A 57 VAL HA . 18292 1 666 . 1 1 57 57 VAL HB H 1 1.801 0.000 . 1 . . . A 57 VAL HB . 18292 1 667 . 1 1 57 57 VAL HG11 H 1 1.005 0.000 . . . . . A 57 VAL QG1 . 18292 1 668 . 1 1 57 57 VAL HG12 H 1 1.005 0.000 . . . . . A 57 VAL QG1 . 18292 1 669 . 1 1 57 57 VAL HG13 H 1 1.005 0.000 . . . . . A 57 VAL QG1 . 18292 1 670 . 1 1 57 57 VAL HG21 H 1 0.700 0.000 . . . . . A 57 VAL QG2 . 18292 1 671 . 1 1 57 57 VAL HG22 H 1 0.700 0.000 . . . . . A 57 VAL QG2 . 18292 1 672 . 1 1 57 57 VAL HG23 H 1 0.700 0.000 . . . . . A 57 VAL QG2 . 18292 1 673 . 1 1 57 57 VAL C C 13 170.667 0.000 . 1 . . . A 57 VAL C . 18292 1 674 . 1 1 57 57 VAL CA C 13 58.163 0.000 . 1 . . . A 57 VAL CA . 18292 1 675 . 1 1 57 57 VAL CB C 13 33.663 0.000 . 1 . . . A 57 VAL CB . 18292 1 676 . 1 1 57 57 VAL CG1 C 13 21.051 0.000 . 2 . . . A 57 VAL CG1 . 18292 1 677 . 1 1 57 57 VAL CG2 C 13 18.789 0.000 . 2 . . . A 57 VAL CG2 . 18292 1 678 . 1 1 57 57 VAL N N 15 119.859 0.000 . 1 . . . A 57 VAL N . 18292 1 679 . 1 1 58 58 TYR H H 1 9.275 0.000 . 1 . . . A 58 TYR H . 18292 1 680 . 1 1 58 58 TYR HA H 1 4.937 0.000 . 1 . . . A 58 TYR HA . 18292 1 681 . 1 1 58 58 TYR HB2 H 1 3.279 0.000 . 2 . . . A 58 TYR HB2 . 18292 1 682 . 1 1 58 58 TYR HB3 H 1 2.556 0.000 . 2 . . . A 58 TYR HB3 . 18292 1 683 . 1 1 58 58 TYR HD1 H 1 7.178 0.000 . 3 . . . A 58 TYR QD . 18292 1 684 . 1 1 58 58 TYR HD2 H 1 7.178 0.000 . 3 . . . A 58 TYR QD . 18292 1 685 . 1 1 58 58 TYR HE1 H 1 6.867 0.000 . 3 . . . A 58 TYR QE . 18292 1 686 . 1 1 58 58 TYR HE2 H 1 6.867 0.000 . 3 . . . A 58 TYR QE . 18292 1 687 . 1 1 58 58 TYR C C 13 170.605 0.000 . 1 . . . A 58 TYR C . 18292 1 688 . 1 1 58 58 TYR CA C 13 55.354 0.000 . 1 . . . A 58 TYR CA . 18292 1 689 . 1 1 58 58 TYR CB C 13 37.775 0.000 . 1 . . . A 58 TYR CB . 18292 1 690 . 1 1 58 58 TYR CD1 C 13 128.164 0.000 . 3 . . . A 58 TYR CD1 . 18292 1 691 . 1 1 58 58 TYR CD2 C 13 128.164 0.000 . 3 . . . A 58 TYR CD2 . 18292 1 692 . 1 1 58 58 TYR CE1 C 13 112.788 0.000 . 3 . . . A 58 TYR CE1 . 18292 1 693 . 1 1 58 58 TYR N N 15 128.478 0.000 . 1 . . . A 58 TYR N . 18292 1 694 . 1 1 59 59 VAL H H 1 8.860 0.000 . 1 . . . A 59 VAL H . 18292 1 695 . 1 1 59 59 VAL HA H 1 4.462 0.000 . 1 . . . A 59 VAL HA . 18292 1 696 . 1 1 59 59 VAL HB H 1 -0.061 0.000 . 1 . . . A 59 VAL HB . 18292 1 697 . 1 1 59 59 VAL HG11 H 1 0.299 0.000 . . . . . A 59 VAL QG1 . 18292 1 698 . 1 1 59 59 VAL HG12 H 1 0.299 0.000 . . . . . A 59 VAL QG1 . 18292 1 699 . 1 1 59 59 VAL HG13 H 1 0.299 0.000 . . . . . A 59 VAL QG1 . 18292 1 700 . 1 1 59 59 VAL HG21 H 1 0.606 0.000 . . . . . A 59 VAL QG2 . 18292 1 701 . 1 1 59 59 VAL HG22 H 1 0.606 0.000 . . . . . A 59 VAL QG2 . 18292 1 702 . 1 1 59 59 VAL HG23 H 1 0.606 0.000 . . . . . A 59 VAL QG2 . 18292 1 703 . 1 1 59 59 VAL C C 13 170.875 0.000 . 1 . . . A 59 VAL C . 18292 1 704 . 1 1 59 59 VAL CA C 13 58.527 0.000 . 1 . . . A 59 VAL CA . 18292 1 705 . 1 1 59 59 VAL CB C 13 32.611 0.000 . 1 . . . A 59 VAL CB . 18292 1 706 . 1 1 59 59 VAL CG1 C 13 19.671 0.000 . 2 . . . A 59 VAL CG1 . 18292 1 707 . 1 1 59 59 VAL CG2 C 13 21.854 0.000 . 2 . . . A 59 VAL CG2 . 18292 1 708 . 1 1 59 59 VAL N N 15 123.117 0.000 . 1 . . . A 59 VAL N . 18292 1 709 . 1 1 60 60 LYS H H 1 8.668 0.000 . 1 . . . A 60 LYS H . 18292 1 710 . 1 1 60 60 LYS HA H 1 4.745 0.000 . 1 . . . A 60 LYS HA . 18292 1 711 . 1 1 60 60 LYS HB2 H 1 1.666 0.000 . 2 . . . A 60 LYS HB2 . 18292 1 712 . 1 1 60 60 LYS HB3 H 1 1.294 0.000 . 2 . . . A 60 LYS HB3 . 18292 1 713 . 1 1 60 60 LYS HG2 H 1 1.058 0.000 . 2 . . . A 60 LYS HG2 . 18292 1 714 . 1 1 60 60 LYS HE2 H 1 2.767 0.000 . 2 . . . A 60 LYS HE2 . 18292 1 715 . 1 1 60 60 LYS HE3 H 1 3.029 0.000 . 2 . . . A 60 LYS HE3 . 18292 1 716 . 1 1 60 60 LYS C C 13 173.399 0.000 . 1 . . . A 60 LYS C . 18292 1 717 . 1 1 60 60 LYS CA C 13 52.207 0.000 . 1 . . . A 60 LYS CA . 18292 1 718 . 1 1 60 60 LYS CB C 13 34.244 0.000 . 1 . . . A 60 LYS CB . 18292 1 719 . 1 1 60 60 LYS CG C 13 22.144 0.000 . 1 . . . A 60 LYS CG . 18292 1 720 . 1 1 60 60 LYS N N 15 123.266 0.000 . 1 . . . A 60 LYS N . 18292 1 721 . 1 1 61 61 CYS H H 1 9.207 0.000 . 1 . . . A 61 CYS H . 18292 1 722 . 1 1 61 61 CYS HA H 1 4.740 0.000 . 1 . . . A 61 CYS HA . 18292 1 723 . 1 1 61 61 CYS HB2 H 1 2.852 0.000 . 2 . . . A 61 CYS HB2 . 18292 1 724 . 1 1 61 61 CYS HB3 H 1 3.268 0.000 . 2 . . . A 61 CYS HB3 . 18292 1 725 . 1 1 61 61 CYS CA C 13 56.393 0.000 . 1 . . . A 61 CYS CA . 18292 1 726 . 1 1 61 61 CYS CB C 13 27.416 0.000 . 1 . . . A 61 CYS CB . 18292 1 727 . 1 1 61 61 CYS N N 15 125.267 0.000 . 1 . . . A 61 CYS N . 18292 1 728 . 1 1 62 62 PRO HA H 1 4.266 0.000 . 1 . . . A 62 PRO HA . 18292 1 729 . 1 1 62 62 PRO HB2 H 1 2.152 0.000 . 2 . . . A 62 PRO HB2 . 18292 1 730 . 1 1 62 62 PRO HG2 H 1 1.843 0.000 . 2 . . . A 62 PRO HG2 . 18292 1 731 . 1 1 62 62 PRO HG3 H 1 1.966 0.000 . 2 . . . A 62 PRO HG3 . 18292 1 732 . 1 1 62 62 PRO HD2 H 1 3.171 0.000 . 2 . . . A 62 PRO HD2 . 18292 1 733 . 1 1 62 62 PRO HD3 H 1 3.561 0.000 . 2 . . . A 62 PRO HD3 . 18292 1 734 . 1 1 62 62 PRO C C 13 171.443 0.000 . 1 . . . A 62 PRO C . 18292 1 735 . 1 1 62 62 PRO CA C 13 61.167 0.000 . 1 . . . A 62 PRO CA . 18292 1 736 . 1 1 62 62 PRO CB C 13 29.450 0.000 . 1 . . . A 62 PRO CB . 18292 1 737 . 1 1 62 62 PRO CG C 13 24.861 0.000 . 1 . . . A 62 PRO CG . 18292 1 738 . 1 1 62 62 PRO CD C 13 47.875 0.000 . 1 . . . A 62 PRO CD . 18292 1 739 . 1 1 63 63 SER H H 1 6.990 0.000 . 1 . . . A 63 SER H . 18292 1 740 . 1 1 63 63 SER HA H 1 4.606 0.000 . 1 . . . A 63 SER HA . 18292 1 741 . 1 1 63 63 SER HB2 H 1 3.892 0.000 . 2 . . . A 63 SER HB2 . 18292 1 742 . 1 1 63 63 SER HB3 H 1 4.140 0.000 . 2 . . . A 63 SER HB3 . 18292 1 743 . 1 1 63 63 SER C C 13 171.147 0.000 . 1 . . . A 63 SER C . 18292 1 744 . 1 1 63 63 SER CA C 13 53.259 0.000 . 1 . . . A 63 SER CA . 18292 1 745 . 1 1 63 63 SER CB C 13 63.378 0.000 . 1 . . . A 63 SER CB . 18292 1 746 . 1 1 63 63 SER N N 15 108.558 0.000 . 1 . . . A 63 SER N . 18292 1 747 . 1 1 64 64 ILE H H 1 8.786 0.000 . 1 . . . A 64 ILE H . 18292 1 748 . 1 1 64 64 ILE HA H 1 3.462 0.000 . 1 . . . A 64 ILE HA . 18292 1 749 . 1 1 64 64 ILE HB H 1 1.601 0.000 . 1 . . . A 64 ILE HB . 18292 1 750 . 1 1 64 64 ILE HG12 H 1 1.645 0.000 . 2 . . . A 64 ILE HG12 . 18292 1 751 . 1 1 64 64 ILE HG13 H 1 0.679 0.000 . 2 . . . A 64 ILE HG13 . 18292 1 752 . 1 1 64 64 ILE HG21 H 1 0.629 0.000 . . . . . A 64 ILE QG2 . 18292 1 753 . 1 1 64 64 ILE HG22 H 1 0.629 0.000 . . . . . A 64 ILE QG2 . 18292 1 754 . 1 1 64 64 ILE HG23 H 1 0.629 0.000 . . . . . A 64 ILE QG2 . 18292 1 755 . 1 1 64 64 ILE HD11 H 1 0.820 0.000 . . . . . A 64 ILE QD1 . 18292 1 756 . 1 1 64 64 ILE HD12 H 1 0.820 0.000 . . . . . A 64 ILE QD1 . 18292 1 757 . 1 1 64 64 ILE HD13 H 1 0.820 0.000 . . . . . A 64 ILE QD1 . 18292 1 758 . 1 1 64 64 ILE C C 13 174.204 0.000 . 1 . . . A 64 ILE C . 18292 1 759 . 1 1 64 64 ILE CA C 13 62.955 0.000 . 1 . . . A 64 ILE CA . 18292 1 760 . 1 1 64 64 ILE CB C 13 35.297 0.000 . 1 . . . A 64 ILE CB . 18292 1 761 . 1 1 64 64 ILE CG1 C 13 27.380 0.000 . 1 . . . A 64 ILE CG1 . 18292 1 762 . 1 1 64 64 ILE CG2 C 13 14.328 0.000 . 1 . . . A 64 ILE CG2 . 18292 1 763 . 1 1 64 64 ILE CD1 C 13 10.787 0.000 . 1 . . . A 64 ILE CD1 . 18292 1 764 . 1 1 64 64 ILE N N 15 122.885 0.000 . 1 . . . A 64 ILE N . 18292 1 765 . 1 1 65 65 ALA H H 1 8.287 0.000 . 1 . . . A 65 ALA H . 18292 1 766 . 1 1 65 65 ALA HA H 1 3.890 0.000 . 1 . . . A 65 ALA HA . 18292 1 767 . 1 1 65 65 ALA HB1 H 1 1.352 0.000 . . . . . A 65 ALA QB . 18292 1 768 . 1 1 65 65 ALA HB2 H 1 1.352 0.000 . . . . . A 65 ALA QB . 18292 1 769 . 1 1 65 65 ALA HB3 H 1 1.352 0.000 . . . . . A 65 ALA QB . 18292 1 770 . 1 1 65 65 ALA C C 13 177.926 0.000 . 1 . . . A 65 ALA C . 18292 1 771 . 1 1 65 65 ALA CA C 13 52.772 0.000 . 1 . . . A 65 ALA CA . 18292 1 772 . 1 1 65 65 ALA CB C 13 15.552 0.000 . 1 . . . A 65 ALA CB . 18292 1 773 . 1 1 65 65 ALA N N 15 120.653 0.000 . 1 . . . A 65 ALA N . 18292 1 774 . 1 1 66 66 ALA H H 1 7.952 0.000 . 1 . . . A 66 ALA H . 18292 1 775 . 1 1 66 66 ALA HA H 1 4.344 0.000 . 1 . . . A 66 ALA HA . 18292 1 776 . 1 1 66 66 ALA HB1 H 1 1.467 0.000 . . . . . A 66 ALA QB . 18292 1 777 . 1 1 66 66 ALA HB2 H 1 1.467 0.000 . . . . . A 66 ALA QB . 18292 1 778 . 1 1 66 66 ALA HB3 H 1 1.467 0.000 . . . . . A 66 ALA QB . 18292 1 779 . 1 1 66 66 ALA C C 13 176.063 0.000 . 1 . . . A 66 ALA C . 18292 1 780 . 1 1 66 66 ALA CA C 13 52.108 0.000 . 1 . . . A 66 ALA CA . 18292 1 781 . 1 1 66 66 ALA CB C 13 16.106 0.000 . 1 . . . A 66 ALA CB . 18292 1 782 . 1 1 66 66 ALA N N 15 119.802 0.000 . 1 . . . A 66 ALA N . 18292 1 783 . 1 1 67 67 ALA H H 1 7.332 0.000 . 1 . . . A 67 ALA H . 18292 1 784 . 1 1 67 67 ALA HA H 1 4.398 0.000 . 1 . . . A 67 ALA HA . 18292 1 785 . 1 1 67 67 ALA HB1 H 1 1.818 0.000 . . . . . A 67 ALA QB . 18292 1 786 . 1 1 67 67 ALA HB2 H 1 1.818 0.000 . . . . . A 67 ALA QB . 18292 1 787 . 1 1 67 67 ALA HB3 H 1 1.818 0.000 . . . . . A 67 ALA QB . 18292 1 788 . 1 1 67 67 ALA C C 13 175.824 0.000 . 1 . . . A 67 ALA C . 18292 1 789 . 1 1 67 67 ALA CA C 13 53.135 0.000 . 1 . . . A 67 ALA CA . 18292 1 790 . 1 1 67 67 ALA CB C 13 17.020 0.000 . 1 . . . A 67 ALA CB . 18292 1 791 . 1 1 67 67 ALA N N 15 121.626 0.000 . 1 . . . A 67 ALA N . 18292 1 792 . 1 1 68 68 ILE H H 1 8.655 0.000 . 1 . . . A 68 ILE H . 18292 1 793 . 1 1 68 68 ILE HA H 1 4.185 0.000 . 1 . . . A 68 ILE HA . 18292 1 794 . 1 1 68 68 ILE HB H 1 1.584 0.000 . 1 . . . A 68 ILE HB . 18292 1 795 . 1 1 68 68 ILE HG12 H 1 1.689 0.000 . 2 . . . A 68 ILE HG12 . 18292 1 796 . 1 1 68 68 ILE HG13 H 1 0.971 0.000 . 2 . . . A 68 ILE HG13 . 18292 1 797 . 1 1 68 68 ILE HG21 H 1 0.720 0.000 . . . . . A 68 ILE QG2 . 18292 1 798 . 1 1 68 68 ILE HG22 H 1 0.720 0.000 . . . . . A 68 ILE QG2 . 18292 1 799 . 1 1 68 68 ILE HG23 H 1 0.720 0.000 . . . . . A 68 ILE QG2 . 18292 1 800 . 1 1 68 68 ILE HD11 H 1 0.601 0.000 . . . . . A 68 ILE QD1 . 18292 1 801 . 1 1 68 68 ILE HD12 H 1 0.601 0.000 . . . . . A 68 ILE QD1 . 18292 1 802 . 1 1 68 68 ILE HD13 H 1 0.601 0.000 . . . . . A 68 ILE QD1 . 18292 1 803 . 1 1 68 68 ILE C C 13 176.163 0.000 . 1 . . . A 68 ILE C . 18292 1 804 . 1 1 68 68 ILE CA C 13 61.323 0.000 . 1 . . . A 68 ILE CA . 18292 1 805 . 1 1 68 68 ILE CB C 13 36.657 0.000 . 1 . . . A 68 ILE CB . 18292 1 806 . 1 1 68 68 ILE CG1 C 13 25.803 0.000 . 1 . . . A 68 ILE CG1 . 18292 1 807 . 1 1 68 68 ILE CG2 C 13 14.284 0.000 . 1 . . . A 68 ILE CG2 . 18292 1 808 . 1 1 68 68 ILE CD1 C 13 12.021 0.000 . 1 . . . A 68 ILE CD1 . 18292 1 809 . 1 1 68 68 ILE N N 15 117.793 0.000 . 1 . . . A 68 ILE N . 18292 1 810 . 1 1 69 69 ALA H H 1 7.377 0.000 . 1 . . . A 69 ALA H . 18292 1 811 . 1 1 69 69 ALA HA H 1 3.836 0.000 . 1 . . . A 69 ALA HA . 18292 1 812 . 1 1 69 69 ALA HB1 H 1 1.337 0.000 . . . . . A 69 ALA QB . 18292 1 813 . 1 1 69 69 ALA HB2 H 1 1.337 0.000 . . . . . A 69 ALA QB . 18292 1 814 . 1 1 69 69 ALA HB3 H 1 1.337 0.000 . . . . . A 69 ALA QB . 18292 1 815 . 1 1 69 69 ALA C C 13 177.325 0.000 . 1 . . . A 69 ALA C . 18292 1 816 . 1 1 69 69 ALA CA C 13 51.781 0.000 . 1 . . . A 69 ALA CA . 18292 1 817 . 1 1 69 69 ALA CB C 13 15.767 0.000 . 1 . . . A 69 ALA CB . 18292 1 818 . 1 1 69 69 ALA N N 15 119.051 0.000 . 1 . . . A 69 ALA N . 18292 1 819 . 1 1 70 70 ALA H H 1 7.798 0.000 . 1 . . . A 70 ALA H . 18292 1 820 . 1 1 70 70 ALA HA H 1 3.544 0.000 . 1 . . . A 70 ALA HA . 18292 1 821 . 1 1 70 70 ALA HB1 H 1 1.462 0.000 . . . . . A 70 ALA QB . 18292 1 822 . 1 1 70 70 ALA HB2 H 1 1.462 0.000 . . . . . A 70 ALA QB . 18292 1 823 . 1 1 70 70 ALA HB3 H 1 1.462 0.000 . . . . . A 70 ALA QB . 18292 1 824 . 1 1 70 70 ALA C C 13 176.012 0.000 . 1 . . . A 70 ALA C . 18292 1 825 . 1 1 70 70 ALA CA C 13 52.966 0.000 . 1 . . . A 70 ALA CA . 18292 1 826 . 1 1 70 70 ALA CB C 13 16.740 0.000 . 1 . . . A 70 ALA CB . 18292 1 827 . 1 1 70 70 ALA N N 15 121.378 0.000 . 1 . . . A 70 ALA N . 18292 1 828 . 1 1 71 71 VAL H H 1 8.662 0.000 . 1 . . . A 71 VAL H . 18292 1 829 . 1 1 71 71 VAL HA H 1 2.524 0.000 . 1 . . . A 71 VAL HA . 18292 1 830 . 1 1 71 71 VAL HB H 1 1.812 0.000 . 1 . . . A 71 VAL HB . 18292 1 831 . 1 1 71 71 VAL HG11 H 1 0.207 0.000 . . . . . A 71 VAL QG1 . 18292 1 832 . 1 1 71 71 VAL HG12 H 1 0.207 0.000 . . . . . A 71 VAL QG1 . 18292 1 833 . 1 1 71 71 VAL HG13 H 1 0.207 0.000 . . . . . A 71 VAL QG1 . 18292 1 834 . 1 1 71 71 VAL HG21 H 1 -0.397 0.000 . . . . . A 71 VAL QG2 . 18292 1 835 . 1 1 71 71 VAL HG22 H 1 -0.397 0.000 . . . . . A 71 VAL QG2 . 18292 1 836 . 1 1 71 71 VAL HG23 H 1 -0.397 0.000 . . . . . A 71 VAL QG2 . 18292 1 837 . 1 1 71 71 VAL C C 13 175.408 0.000 . 1 . . . A 71 VAL C . 18292 1 838 . 1 1 71 71 VAL CA C 13 64.993 0.000 . 1 . . . A 71 VAL CA . 18292 1 839 . 1 1 71 71 VAL CB C 13 28.184 0.000 . 1 . . . A 71 VAL CB . 18292 1 840 . 1 1 71 71 VAL CG1 C 13 17.712 0.000 . 2 . . . A 71 VAL CG1 . 18292 1 841 . 1 1 71 71 VAL CG2 C 13 20.798 0.000 . 2 . . . A 71 VAL CG2 . 18292 1 842 . 1 1 71 71 VAL N N 15 119.944 0.000 . 1 . . . A 71 VAL N . 18292 1 843 . 1 1 72 72 ASN H H 1 8.061 0.000 . 1 . . . A 72 ASN H . 18292 1 844 . 1 1 72 72 ASN HA H 1 4.244 0.000 . 1 . . . A 72 ASN HA . 18292 1 845 . 1 1 72 72 ASN HB2 H 1 2.601 0.000 . 2 . . . A 72 ASN HB2 . 18292 1 846 . 1 1 72 72 ASN HB3 H 1 2.690 0.000 . 2 . . . A 72 ASN HB3 . 18292 1 847 . 1 1 72 72 ASN HD21 H 1 7.531 0.000 . 2 . . . A 72 ASN HD21 . 18292 1 848 . 1 1 72 72 ASN HD22 H 1 6.741 0.000 . 2 . . . A 72 ASN HD22 . 18292 1 849 . 1 1 72 72 ASN C C 13 174.490 0.000 . 1 . . . A 72 ASN C . 18292 1 850 . 1 1 72 72 ASN CA C 13 52.776 0.000 . 1 . . . A 72 ASN CA . 18292 1 851 . 1 1 72 72 ASN CB C 13 35.394 0.000 . 1 . . . A 72 ASN CB . 18292 1 852 . 1 1 72 72 ASN N N 15 114.981 0.000 . 1 . . . A 72 ASN N . 18292 1 853 . 1 1 72 72 ASN ND2 N 15 112.391 0.000 . 1 . . . A 72 ASN ND2 . 18292 1 854 . 1 1 73 73 ALA H H 1 7.230 0.000 . 1 . . . A 73 ALA H . 18292 1 855 . 1 1 73 73 ALA HA H 1 4.162 0.000 . 1 . . . A 73 ALA HA . 18292 1 856 . 1 1 73 73 ALA HB1 H 1 1.305 0.000 . . . . . A 73 ALA QB . 18292 1 857 . 1 1 73 73 ALA HB2 H 1 1.305 0.000 . . . . . A 73 ALA QB . 18292 1 858 . 1 1 73 73 ALA HB3 H 1 1.305 0.000 . . . . . A 73 ALA QB . 18292 1 859 . 1 1 73 73 ALA C C 13 176.245 0.000 . 1 . . . A 73 ALA C . 18292 1 860 . 1 1 73 73 ALA CA C 13 51.058 0.000 . 1 . . . A 73 ALA CA . 18292 1 861 . 1 1 73 73 ALA CB C 13 17.457 0.000 . 1 . . . A 73 ALA CB . 18292 1 862 . 1 1 73 73 ALA N N 15 120.308 0.000 . 1 . . . A 73 ALA N . 18292 1 863 . 1 1 74 74 LEU H H 1 7.856 0.000 . 1 . . . A 74 LEU H . 18292 1 864 . 1 1 74 74 LEU HA H 1 4.021 0.000 . 1 . . . A 74 LEU HA . 18292 1 865 . 1 1 74 74 LEU HB2 H 1 1.494 0.000 . 2 . . . A 74 LEU HB2 . 18292 1 866 . 1 1 74 74 LEU HB3 H 1 1.162 0.000 . 2 . . . A 74 LEU HB3 . 18292 1 867 . 1 1 74 74 LEU HD11 H 1 0.706 0.000 . . . . . A 74 LEU QD1 . 18292 1 868 . 1 1 74 74 LEU HD12 H 1 0.706 0.000 . . . . . A 74 LEU QD1 . 18292 1 869 . 1 1 74 74 LEU HD13 H 1 0.706 0.000 . . . . . A 74 LEU QD1 . 18292 1 870 . 1 1 74 74 LEU HD21 H 1 0.762 0.000 . . . . . A 74 LEU QD2 . 18292 1 871 . 1 1 74 74 LEU HD22 H 1 0.762 0.000 . . . . . A 74 LEU QD2 . 18292 1 872 . 1 1 74 74 LEU HD23 H 1 0.762 0.000 . . . . . A 74 LEU QD2 . 18292 1 873 . 1 1 74 74 LEU C C 13 173.863 0.000 . 1 . . . A 74 LEU C . 18292 1 874 . 1 1 74 74 LEU CA C 13 53.853 0.000 . 1 . . . A 74 LEU CA . 18292 1 875 . 1 1 74 74 LEU CB C 13 41.552 0.000 . 1 . . . A 74 LEU CB . 18292 1 876 . 1 1 74 74 LEU CD1 C 13 20.387 0.000 . 2 . . . A 74 LEU CD1 . 18292 1 877 . 1 1 74 74 LEU CD2 C 13 23.129 0.000 . 2 . . . A 74 LEU CD2 . 18292 1 878 . 1 1 74 74 LEU N N 15 118.156 0.000 . 1 . . . A 74 LEU N . 18292 1 879 . 1 1 75 75 HIS H H 1 8.434 0.000 . 1 . . . A 75 HIS H . 18292 1 880 . 1 1 75 75 HIS HA H 1 3.830 0.000 . 1 . . . A 75 HIS HA . 18292 1 881 . 1 1 75 75 HIS HB2 H 1 2.813 0.000 . 2 . . . A 75 HIS HB2 . 18292 1 882 . 1 1 75 75 HIS HB3 H 1 3.026 0.000 . 2 . . . A 75 HIS HB3 . 18292 1 883 . 1 1 75 75 HIS HD2 H 1 6.754 0.000 . 1 . . . A 75 HIS HD2 . 18292 1 884 . 1 1 75 75 HIS HE1 H 1 7.684 0.000 . 1 . . . A 75 HIS HE1 . 18292 1 885 . 1 1 75 75 HIS C C 13 174.851 0.000 . 1 . . . A 75 HIS C . 18292 1 886 . 1 1 75 75 HIS CA C 13 56.621 0.000 . 1 . . . A 75 HIS CA . 18292 1 887 . 1 1 75 75 HIS CB C 13 28.299 0.000 . 1 . . . A 75 HIS CB . 18292 1 888 . 1 1 75 75 HIS CD2 C 13 112.841 0.000 . 1 . . . A 75 HIS CD2 . 18292 1 889 . 1 1 75 75 HIS N N 15 117.126 0.000 . 1 . . . A 75 HIS N . 18292 1 890 . 1 1 76 76 GLY H H 1 8.418 0.000 . 1 . . . A 76 GLY H . 18292 1 891 . 1 1 76 76 GLY HA2 H 1 3.290 0.000 . 2 . . . A 76 GLY HA2 . 18292 1 892 . 1 1 76 76 GLY HA3 H 1 3.909 0.000 . 2 . . . A 76 GLY HA3 . 18292 1 893 . 1 1 76 76 GLY CA C 13 42.221 0.000 . 1 . . . A 76 GLY CA . 18292 1 894 . 1 1 76 76 GLY N N 15 116.761 0.000 . 1 . . . A 76 GLY N . 18292 1 895 . 1 1 77 77 ARG H H 1 7.385 0.000 . 1 . . . A 77 ARG H . 18292 1 896 . 1 1 77 77 ARG HA H 1 4.248 0.000 . 1 . . . A 77 ARG HA . 18292 1 897 . 1 1 77 77 ARG HB3 H 1 1.833 0.000 . 2 . . . A 77 ARG HB3 . 18292 1 898 . 1 1 77 77 ARG HG2 H 1 1.596 0.000 . 2 . . . A 77 ARG HG2 . 18292 1 899 . 1 1 77 77 ARG HG3 H 1 1.755 0.000 . 2 . . . A 77 ARG HG3 . 18292 1 900 . 1 1 77 77 ARG HD2 H 1 3.090 0.000 . 2 . . . A 77 ARG HD2 . 18292 1 901 . 1 1 77 77 ARG HD3 H 1 3.188 0.000 . 2 . . . A 77 ARG HD3 . 18292 1 902 . 1 1 77 77 ARG C C 13 173.536 0.000 . 1 . . . A 77 ARG C . 18292 1 903 . 1 1 77 77 ARG CA C 13 53.029 0.000 . 1 . . . A 77 ARG CA . 18292 1 904 . 1 1 77 77 ARG CB C 13 29.058 0.000 . 1 . . . A 77 ARG CB . 18292 1 905 . 1 1 77 77 ARG CG C 13 24.777 0.000 . 1 . . . A 77 ARG CG . 18292 1 906 . 1 1 77 77 ARG CD C 13 41.143 0.000 . 1 . . . A 77 ARG CD . 18292 1 907 . 1 1 77 77 ARG N N 15 120.430 0.000 . 1 . . . A 77 ARG N . 18292 1 908 . 1 1 78 78 TRP H H 1 8.463 0.000 . 1 . . . A 78 TRP H . 18292 1 909 . 1 1 78 78 TRP HA H 1 4.941 0.000 . 1 . . . A 78 TRP HA . 18292 1 910 . 1 1 78 78 TRP HB2 H 1 2.929 0.000 . 2 . . . A 78 TRP HB2 . 18292 1 911 . 1 1 78 78 TRP HB3 H 1 3.035 0.000 . 2 . . . A 78 TRP HB3 . 18292 1 912 . 1 1 78 78 TRP HD1 H 1 7.178 0.000 . 1 . . . A 78 TRP HD1 . 18292 1 913 . 1 1 78 78 TRP HE1 H 1 9.938 0.000 . 1 . . . A 78 TRP HE1 . 18292 1 914 . 1 1 78 78 TRP HE3 H 1 7.031 0.000 . 1 . . . A 78 TRP HE3 . 18292 1 915 . 1 1 78 78 TRP HZ2 H 1 7.329 0.000 . 1 . . . A 78 TRP HZ2 . 18292 1 916 . 1 1 78 78 TRP HZ3 H 1 7.068 0.000 . 1 . . . A 78 TRP HZ3 . 18292 1 917 . 1 1 78 78 TRP HH2 H 1 6.905 0.000 . 1 . . . A 78 TRP HH2 . 18292 1 918 . 1 1 78 78 TRP C C 13 173.888 0.000 . 1 . . . A 78 TRP C . 18292 1 919 . 1 1 78 78 TRP CA C 13 54.234 0.000 . 1 . . . A 78 TRP CA . 18292 1 920 . 1 1 78 78 TRP CB C 13 26.923 0.000 . 1 . . . A 78 TRP CB . 18292 1 921 . 1 1 78 78 TRP CD1 C 13 122.476 0.000 . 1 . . . A 78 TRP CD1 . 18292 1 922 . 1 1 78 78 TRP CE3 C 13 114.954 0.000 . 1 . . . A 78 TRP CE3 . 18292 1 923 . 1 1 78 78 TRP CZ2 C 13 109.577 0.000 . 1 . . . A 78 TRP CZ2 . 18292 1 924 . 1 1 78 78 TRP CZ3 C 13 119.561 0.000 . 1 . . . A 78 TRP CZ3 . 18292 1 925 . 1 1 78 78 TRP CH2 C 13 117.027 0.000 . 1 . . . A 78 TRP CH2 . 18292 1 926 . 1 1 78 78 TRP N N 15 122.989 0.000 . 1 . . . A 78 TRP N . 18292 1 927 . 1 1 78 78 TRP NE1 N 15 128.789 0.000 . 1 . . . A 78 TRP NE1 . 18292 1 928 . 1 1 79 79 PHE H H 1 9.500 0.000 . 1 . . . A 79 PHE H . 18292 1 929 . 1 1 79 79 PHE HA H 1 4.637 0.000 . 1 . . . A 79 PHE HA . 18292 1 930 . 1 1 79 79 PHE HB2 H 1 2.825 0.000 . 2 . . . A 79 PHE HB2 . 18292 1 931 . 1 1 79 79 PHE HB3 H 1 2.979 0.000 . 2 . . . A 79 PHE HB3 . 18292 1 932 . 1 1 79 79 PHE HD1 H 1 7.211 0.000 . 3 . . . A 79 PHE QD . 18292 1 933 . 1 1 79 79 PHE HD2 H 1 7.211 0.000 . 3 . . . A 79 PHE QD . 18292 1 934 . 1 1 79 79 PHE HE1 H 1 7.281 0.000 . 3 . . . A 79 PHE QE . 18292 1 935 . 1 1 79 79 PHE HE2 H 1 7.281 0.000 . 3 . . . A 79 PHE QE . 18292 1 936 . 1 1 79 79 PHE HZ H 1 7.201 0.000 . 1 . . . A 79 PHE HZ . 18292 1 937 . 1 1 79 79 PHE C C 13 171.696 0.000 . 1 . . . A 79 PHE C . 18292 1 938 . 1 1 79 79 PHE CA C 13 54.624 0.000 . 1 . . . A 79 PHE CA . 18292 1 939 . 1 1 79 79 PHE CB C 13 39.577 0.000 . 1 . . . A 79 PHE CB . 18292 1 940 . 1 1 79 79 PHE CD1 C 13 127.329 0.000 . 3 . . . A 79 PHE CD1 . 18292 1 941 . 1 1 79 79 PHE CD2 C 13 127.329 0.000 . 3 . . . A 79 PHE CD2 . 18292 1 942 . 1 1 79 79 PHE CE1 C 13 126.838 0.000 . 3 . . . A 79 PHE CE1 . 18292 1 943 . 1 1 79 79 PHE CE2 C 13 126.838 0.000 . 3 . . . A 79 PHE CE2 . 18292 1 944 . 1 1 79 79 PHE CZ C 13 124.910 0.000 . 1 . . . A 79 PHE CZ . 18292 1 945 . 1 1 79 79 PHE N N 15 126.899 0.000 . 1 . . . A 79 PHE N . 18292 1 946 . 1 1 80 80 ALA H H 1 8.840 0.000 . 1 . . . A 80 ALA H . 18292 1 947 . 1 1 80 80 ALA HA H 1 3.705 0.000 . 1 . . . A 80 ALA HA . 18292 1 948 . 1 1 80 80 ALA HB1 H 1 0.955 0.000 . . . . . A 80 ALA QB . 18292 1 949 . 1 1 80 80 ALA HB2 H 1 0.955 0.000 . . . . . A 80 ALA QB . 18292 1 950 . 1 1 80 80 ALA HB3 H 1 0.955 0.000 . . . . . A 80 ALA QB . 18292 1 951 . 1 1 80 80 ALA C C 13 174.560 0.000 . 1 . . . A 80 ALA C . 18292 1 952 . 1 1 80 80 ALA CA C 13 49.993 0.000 . 1 . . . A 80 ALA CA . 18292 1 953 . 1 1 80 80 ALA CB C 13 14.479 0.000 . 1 . . . A 80 ALA CB . 18292 1 954 . 1 1 80 80 ALA N N 15 130.285 0.000 . 1 . . . A 80 ALA N . 18292 1 955 . 1 1 81 81 GLY H H 1 8.268 0.000 . 1 . . . A 81 GLY H . 18292 1 956 . 1 1 81 81 GLY HA2 H 1 4.077 0.000 . 2 . . . A 81 GLY HA2 . 18292 1 957 . 1 1 81 81 GLY HA3 H 1 3.584 0.000 . 2 . . . A 81 GLY HA3 . 18292 1 958 . 1 1 81 81 GLY C C 13 171.087 0.000 . 1 . . . A 81 GLY C . 18292 1 959 . 1 1 81 81 GLY CA C 13 42.891 0.000 . 1 . . . A 81 GLY CA . 18292 1 960 . 1 1 81 81 GLY N N 15 102.771 0.000 . 1 . . . A 81 GLY N . 18292 1 961 . 1 1 82 82 LYS H H 1 7.791 0.000 . 1 . . . A 82 LYS H . 18292 1 962 . 1 1 82 82 LYS HA H 1 4.469 0.000 . 1 . . . A 82 LYS HA . 18292 1 963 . 1 1 82 82 LYS HB2 H 1 1.681 0.000 . 2 . . . A 82 LYS HB2 . 18292 1 964 . 1 1 82 82 LYS HB3 H 1 1.798 0.000 . 2 . . . A 82 LYS HB3 . 18292 1 965 . 1 1 82 82 LYS HG3 H 1 1.291 0.000 . 2 . . . A 82 LYS HG3 . 18292 1 966 . 1 1 82 82 LYS HE2 H 1 2.790 0.000 . 2 . . . A 82 LYS HE2 . 18292 1 967 . 1 1 82 82 LYS C C 13 170.688 0.000 . 1 . . . A 82 LYS C . 18292 1 968 . 1 1 82 82 LYS CA C 13 52.029 0.000 . 1 . . . A 82 LYS CA . 18292 1 969 . 1 1 82 82 LYS CB C 13 32.776 0.000 . 1 . . . A 82 LYS CB . 18292 1 970 . 1 1 82 82 LYS CG C 13 21.827 0.000 . 1 . . . A 82 LYS CG . 18292 1 971 . 1 1 82 82 LYS CE C 13 39.448 0.000 . 1 . . . A 82 LYS CE . 18292 1 972 . 1 1 82 82 LYS N N 15 120.307 0.000 . 1 . . . A 82 LYS N . 18292 1 973 . 1 1 83 83 MET H H 1 7.953 0.000 . 1 . . . A 83 MET H . 18292 1 974 . 1 1 83 83 MET HA H 1 3.871 0.000 . 1 . . . A 83 MET HA . 18292 1 975 . 1 1 83 83 MET HB2 H 1 1.307 0.000 . 2 . . . A 83 MET HB2 . 18292 1 976 . 1 1 83 83 MET HB3 H 1 0.436 0.000 . 2 . . . A 83 MET HB3 . 18292 1 977 . 1 1 83 83 MET HG2 H 1 1.577 0.000 . 2 . . . A 83 MET HG2 . 18292 1 978 . 1 1 83 83 MET HG3 H 1 1.229 0.000 . 2 . . . A 83 MET HG3 . 18292 1 979 . 1 1 83 83 MET HE1 H 1 1.641 0.000 . . . . . A 83 MET QE . 18292 1 980 . 1 1 83 83 MET HE2 H 1 1.641 0.000 . . . . . A 83 MET QE . 18292 1 981 . 1 1 83 83 MET HE3 H 1 1.641 0.000 . . . . . A 83 MET QE . 18292 1 982 . 1 1 83 83 MET C C 13 173.474 0.000 . 1 . . . A 83 MET C . 18292 1 983 . 1 1 83 83 MET CA C 13 51.968 0.000 . 1 . . . A 83 MET CA . 18292 1 984 . 1 1 83 83 MET CB C 13 30.275 0.000 . 1 . . . A 83 MET CB . 18292 1 985 . 1 1 83 83 MET CG C 13 28.478 0.000 . 1 . . . A 83 MET CG . 18292 1 986 . 1 1 83 83 MET CE C 13 14.047 0.000 . 1 . . . A 83 MET CE . 18292 1 987 . 1 1 83 83 MET N N 15 121.212 0.000 . 1 . . . A 83 MET N . 18292 1 988 . 1 1 84 84 ILE H H 1 8.683 0.000 . 1 . . . A 84 ILE H . 18292 1 989 . 1 1 84 84 ILE HA H 1 4.230 0.000 . 1 . . . A 84 ILE HA . 18292 1 990 . 1 1 84 84 ILE HB H 1 1.971 0.000 . 1 . . . A 84 ILE HB . 18292 1 991 . 1 1 84 84 ILE HG12 H 1 1.215 0.000 . 2 . . . A 84 ILE HG12 . 18292 1 992 . 1 1 84 84 ILE HG13 H 1 1.483 0.000 . 2 . . . A 84 ILE HG13 . 18292 1 993 . 1 1 84 84 ILE HG21 H 1 0.801 0.000 . . . . . A 84 ILE QG2 . 18292 1 994 . 1 1 84 84 ILE HG22 H 1 0.801 0.000 . . . . . A 84 ILE QG2 . 18292 1 995 . 1 1 84 84 ILE HG23 H 1 0.801 0.000 . . . . . A 84 ILE QG2 . 18292 1 996 . 1 1 84 84 ILE HD11 H 1 0.688 0.000 . . . . . A 84 ILE QD1 . 18292 1 997 . 1 1 84 84 ILE HD12 H 1 0.688 0.000 . . . . . A 84 ILE QD1 . 18292 1 998 . 1 1 84 84 ILE HD13 H 1 0.688 0.000 . . . . . A 84 ILE QD1 . 18292 1 999 . 1 1 84 84 ILE C C 13 173.459 0.000 . 1 . . . A 84 ILE C . 18292 1 1000 . 1 1 84 84 ILE CA C 13 58.832 0.000 . 1 . . . A 84 ILE CA . 18292 1 1001 . 1 1 84 84 ILE CB C 13 36.088 0.000 . 1 . . . A 84 ILE CB . 18292 1 1002 . 1 1 84 84 ILE CG1 C 13 24.843 0.000 . 1 . . . A 84 ILE CG1 . 18292 1 1003 . 1 1 84 84 ILE CG2 C 13 16.410 0.000 . 1 . . . A 84 ILE CG2 . 18292 1 1004 . 1 1 84 84 ILE CD1 C 13 11.679 0.000 . 1 . . . A 84 ILE CD1 . 18292 1 1005 . 1 1 84 84 ILE N N 15 128.512 0.000 . 1 . . . A 84 ILE N . 18292 1 1006 . 1 1 85 85 THR H H 1 7.318 0.000 . 1 . . . A 85 THR H . 18292 1 1007 . 1 1 85 85 THR HA H 1 4.825 0.000 . 1 . . . A 85 THR HA . 18292 1 1008 . 1 1 85 85 THR HB H 1 4.102 0.000 . 1 . . . A 85 THR HB . 18292 1 1009 . 1 1 85 85 THR HG21 H 1 0.926 0.000 . . . . . A 85 THR QG2 . 18292 1 1010 . 1 1 85 85 THR HG22 H 1 0.926 0.000 . . . . . A 85 THR QG2 . 18292 1 1011 . 1 1 85 85 THR HG23 H 1 0.926 0.000 . . . . . A 85 THR QG2 . 18292 1 1012 . 1 1 85 85 THR CA C 13 56.520 0.000 . 1 . . . A 85 THR CA . 18292 1 1013 . 1 1 85 85 THR CB C 13 68.803 0.000 . 1 . . . A 85 THR CB . 18292 1 1014 . 1 1 85 85 THR CG2 C 13 18.873 0.000 . 1 . . . A 85 THR CG2 . 18292 1 1015 . 1 1 85 85 THR N N 15 115.456 0.000 . 1 . . . A 85 THR N . 18292 1 1016 . 1 1 86 86 ALA H H 1 10.712 0.000 . 1 . . . A 86 ALA H . 18292 1 1017 . 1 1 86 86 ALA HA H 1 5.542 0.000 . 1 . . . A 86 ALA HA . 18292 1 1018 . 1 1 86 86 ALA HB1 H 1 1.054 0.000 . . . . . A 86 ALA QB . 18292 1 1019 . 1 1 86 86 ALA HB2 H 1 1.054 0.000 . . . . . A 86 ALA QB . 18292 1 1020 . 1 1 86 86 ALA HB3 H 1 1.054 0.000 . . . . . A 86 ALA QB . 18292 1 1021 . 1 1 86 86 ALA C C 13 173.070 0.000 . 1 . . . A 86 ALA C . 18292 1 1022 . 1 1 86 86 ALA CA C 13 47.491 0.000 . 1 . . . A 86 ALA CA . 18292 1 1023 . 1 1 86 86 ALA CB C 13 22.241 0.000 . 1 . . . A 86 ALA CB . 18292 1 1024 . 1 1 86 86 ALA N N 15 128.004 0.000 . 1 . . . A 86 ALA N . 18292 1 1025 . 1 1 87 87 ALA H H 1 8.413 0.000 . 1 . . . A 87 ALA H . 18292 1 1026 . 1 1 87 87 ALA HA H 1 4.499 0.000 . 1 . . . A 87 ALA HA . 18292 1 1027 . 1 1 87 87 ALA HB1 H 1 1.262 0.000 . . . . . A 87 ALA QB . 18292 1 1028 . 1 1 87 87 ALA HB2 H 1 1.262 0.000 . . . . . A 87 ALA QB . 18292 1 1029 . 1 1 87 87 ALA HB3 H 1 1.262 0.000 . . . . . A 87 ALA QB . 18292 1 1030 . 1 1 87 87 ALA C C 13 173.781 0.000 . 1 . . . A 87 ALA C . 18292 1 1031 . 1 1 87 87 ALA CA C 13 47.989 0.000 . 1 . . . A 87 ALA CA . 18292 1 1032 . 1 1 87 87 ALA CB C 13 19.981 0.000 . 1 . . . A 87 ALA CB . 18292 1 1033 . 1 1 87 87 ALA N N 15 122.902 0.000 . 1 . . . A 87 ALA N . 18292 1 1034 . 1 1 88 88 TYR H H 1 8.311 0.000 . 1 . . . A 88 TYR H . 18292 1 1035 . 1 1 88 88 TYR HA H 1 4.723 0.000 . 1 . . . A 88 TYR HA . 18292 1 1036 . 1 1 88 88 TYR HB2 H 1 3.282 0.000 . 2 . . . A 88 TYR HB2 . 18292 1 1037 . 1 1 88 88 TYR HB3 H 1 2.585 0.000 . 2 . . . A 88 TYR HB3 . 18292 1 1038 . 1 1 88 88 TYR HD1 H 1 7.233 0.000 . 3 . . . A 88 TYR QD . 18292 1 1039 . 1 1 88 88 TYR HD2 H 1 7.233 0.000 . 3 . . . A 88 TYR QD . 18292 1 1040 . 1 1 88 88 TYR HE1 H 1 6.564 0.000 . 3 . . . A 88 TYR QE . 18292 1 1041 . 1 1 88 88 TYR HE2 H 1 6.564 0.000 . 3 . . . A 88 TYR QE . 18292 1 1042 . 1 1 88 88 TYR C C 13 173.615 0.000 . 1 . . . A 88 TYR C . 18292 1 1043 . 1 1 88 88 TYR CA C 13 57.556 0.000 . 1 . . . A 88 TYR CA . 18292 1 1044 . 1 1 88 88 TYR CB C 13 36.474 0.000 . 1 . . . A 88 TYR CB . 18292 1 1045 . 1 1 88 88 TYR CD1 C 13 128.341 0.000 . 3 . . . A 88 TYR CD1 . 18292 1 1046 . 1 1 88 88 TYR CD2 C 13 128.341 0.000 . 3 . . . A 88 TYR CD2 . 18292 1 1047 . 1 1 88 88 TYR CE1 C 13 113.789 0.000 . 3 . . . A 88 TYR CE1 . 18292 1 1048 . 1 1 88 88 TYR CE2 C 13 113.789 0.000 . 3 . . . A 88 TYR CE2 . 18292 1 1049 . 1 1 88 88 TYR N N 15 120.267 0.000 . 1 . . . A 88 TYR N . 18292 1 1050 . 1 1 89 89 VAL H H 1 8.420 0.000 . 1 . . . A 89 VAL H . 18292 1 1051 . 1 1 89 89 VAL HA H 1 4.696 0.000 . 1 . . . A 89 VAL HA . 18292 1 1052 . 1 1 89 89 VAL HB H 1 1.807 0.000 . 1 . . . A 89 VAL HB . 18292 1 1053 . 1 1 89 89 VAL HG11 H 1 1.103 0.000 . . . . . A 89 VAL QG1 . 18292 1 1054 . 1 1 89 89 VAL HG12 H 1 1.103 0.000 . . . . . A 89 VAL QG1 . 18292 1 1055 . 1 1 89 89 VAL HG13 H 1 1.103 0.000 . . . . . A 89 VAL QG1 . 18292 1 1056 . 1 1 89 89 VAL HG21 H 1 1.244 0.000 . . . . . A 89 VAL QG2 . 18292 1 1057 . 1 1 89 89 VAL HG22 H 1 1.244 0.000 . . . . . A 89 VAL QG2 . 18292 1 1058 . 1 1 89 89 VAL HG23 H 1 1.244 0.000 . . . . . A 89 VAL QG2 . 18292 1 1059 . 1 1 89 89 VAL CA C 13 55.899 0.000 . 1 . . . A 89 VAL CA . 18292 1 1060 . 1 1 89 89 VAL CB C 13 33.445 0.000 . 1 . . . A 89 VAL CB . 18292 1 1061 . 1 1 89 89 VAL CG1 C 13 18.958 0.000 . 2 . . . A 89 VAL CG1 . 18292 1 1062 . 1 1 89 89 VAL CG2 C 13 18.236 0.000 . 2 . . . A 89 VAL CG2 . 18292 1 1063 . 1 1 89 89 VAL N N 15 123.298 0.000 . 1 . . . A 89 VAL N . 18292 1 1064 . 1 1 90 90 PRO HA H 1 4.450 0.000 . 1 . . . A 90 PRO HA . 18292 1 1065 . 1 1 90 90 PRO HB2 H 1 1.870 0.000 . 2 . . . A 90 PRO HB2 . 18292 1 1066 . 1 1 90 90 PRO HG2 H 1 2.157 0.000 . 2 . . . A 90 PRO QG . 18292 1 1067 . 1 1 90 90 PRO HG3 H 1 2.157 0.000 . 2 . . . A 90 PRO QG . 18292 1 1068 . 1 1 90 90 PRO HD2 H 1 3.990 0.000 . 2 . . . A 90 PRO HD2 . 18292 1 1069 . 1 1 90 90 PRO HD3 H 1 3.543 0.000 . 2 . . . A 90 PRO HD3 . 18292 1 1070 . 1 1 90 90 PRO CA C 13 60.310 0.000 . 1 . . . A 90 PRO CA . 18292 1 1071 . 1 1 90 90 PRO CB C 13 30.489 0.000 . 1 . . . A 90 PRO CB . 18292 1 1072 . 1 1 90 90 PRO CG C 13 25.663 0.000 . 1 . . . A 90 PRO CG . 18292 1 1073 . 1 1 90 90 PRO CD C 13 49.130 0.000 . 1 . . . A 90 PRO CD . 18292 1 1074 . 1 1 91 91 LEU H H 1 8.997 0.000 . 1 . . . A 91 LEU H . 18292 1 1075 . 1 1 91 91 LEU HA H 1 3.975 0.000 . 1 . . . A 91 LEU HA . 18292 1 1076 . 1 1 91 91 LEU HB2 H 1 1.588 0.000 . 2 . . . A 91 LEU QB . 18292 1 1077 . 1 1 91 91 LEU HB3 H 1 1.588 0.000 . 2 . . . A 91 LEU QB . 18292 1 1078 . 1 1 91 91 LEU HG H 1 1.215 0.000 . 1 . . . A 91 LEU HG . 18292 1 1079 . 1 1 91 91 LEU HD11 H 1 0.818 0.000 . . . . . A 91 LEU QD1 . 18292 1 1080 . 1 1 91 91 LEU HD12 H 1 0.818 0.000 . . . . . A 91 LEU QD1 . 18292 1 1081 . 1 1 91 91 LEU HD13 H 1 0.818 0.000 . . . . . A 91 LEU QD1 . 18292 1 1082 . 1 1 91 91 LEU HD21 H 1 0.699 0.000 . . . . . A 91 LEU QD2 . 18292 1 1083 . 1 1 91 91 LEU HD22 H 1 0.699 0.000 . . . . . A 91 LEU QD2 . 18292 1 1084 . 1 1 91 91 LEU HD23 H 1 0.699 0.000 . . . . . A 91 LEU QD2 . 18292 1 1085 . 1 1 91 91 LEU CA C 13 56.691 0.000 . 1 . . . A 91 LEU CA . 18292 1 1086 . 1 1 91 91 LEU CB C 13 37.139 0.000 . 1 . . . A 91 LEU CB . 18292 1 1087 . 1 1 91 91 LEU CG C 13 24.703 0.000 . 1 . . . A 91 LEU CG . 18292 1 1088 . 1 1 91 91 LEU CD1 C 13 22.243 0.000 . 2 . . . A 91 LEU CD1 . 18292 1 1089 . 1 1 91 91 LEU CD2 C 13 22.263 0.000 . 2 . . . A 91 LEU CD2 . 18292 1 1090 . 1 1 91 91 LEU N N 15 126.649 0.000 . 1 . . . A 91 LEU N . 18292 1 1091 . 1 1 92 92 PRO HA H 1 4.211 0.000 . 1 . . . A 92 PRO HA . 18292 1 1092 . 1 1 92 92 PRO HB2 H 1 2.264 0.000 . 2 . . . A 92 PRO HB2 . 18292 1 1093 . 1 1 92 92 PRO HB3 H 1 1.798 0.000 . 2 . . . A 92 PRO HB3 . 18292 1 1094 . 1 1 92 92 PRO HG2 H 1 1.923 0.000 . 2 . . . A 92 PRO HG2 . 18292 1 1095 . 1 1 92 92 PRO HG3 H 1 2.021 0.000 . 2 . . . A 92 PRO HG3 . 18292 1 1096 . 1 1 92 92 PRO HD2 H 1 3.527 0.000 . 2 . . . A 92 PRO HD2 . 18292 1 1097 . 1 1 92 92 PRO HD3 H 1 3.738 0.000 . 2 . . . A 92 PRO HD3 . 18292 1 1098 . 1 1 92 92 PRO C C 13 177.175 0.000 . 1 . . . A 92 PRO C . 18292 1 1099 . 1 1 92 92 PRO CA C 13 63.104 0.000 . 1 . . . A 92 PRO CA . 18292 1 1100 . 1 1 92 92 PRO CB C 13 27.973 0.000 . 1 . . . A 92 PRO CB . 18292 1 1101 . 1 1 92 92 PRO CG C 13 26.007 0.000 . 1 . . . A 92 PRO CG . 18292 1 1102 . 1 1 92 92 PRO CD C 13 47.464 0.000 . 1 . . . A 92 PRO CD . 18292 1 1103 . 1 1 93 93 THR H H 1 6.528 0.000 . 1 . . . A 93 THR H . 18292 1 1104 . 1 1 93 93 THR HA H 1 3.827 0.000 . 1 . . . A 93 THR HA . 18292 1 1105 . 1 1 93 93 THR HB H 1 4.131 0.000 . 1 . . . A 93 THR HB . 18292 1 1106 . 1 1 93 93 THR HG21 H 1 1.105 0.000 . . . . . A 93 THR QG2 . 18292 1 1107 . 1 1 93 93 THR HG22 H 1 1.105 0.000 . . . . . A 93 THR QG2 . 18292 1 1108 . 1 1 93 93 THR HG23 H 1 1.105 0.000 . . . . . A 93 THR QG2 . 18292 1 1109 . 1 1 93 93 THR C C 13 172.669 0.000 . 1 . . . A 93 THR C . 18292 1 1110 . 1 1 93 93 THR CA C 13 63.096 0.000 . 1 . . . A 93 THR CA . 18292 1 1111 . 1 1 93 93 THR CB C 13 65.968 0.000 . 1 . . . A 93 THR CB . 18292 1 1112 . 1 1 93 93 THR CG2 C 13 18.741 0.000 . 1 . . . A 93 THR CG2 . 18292 1 1113 . 1 1 93 93 THR N N 15 112.839 0.000 . 1 . . . A 93 THR N . 18292 1 1114 . 1 1 94 94 TYR H H 1 8.263 0.000 . 1 . . . A 94 TYR H . 18292 1 1115 . 1 1 94 94 TYR HA H 1 3.515 0.000 . 1 . . . A 94 TYR HA . 18292 1 1116 . 1 1 94 94 TYR HB2 H 1 2.595 0.000 . 2 . . . A 94 TYR HB2 . 18292 1 1117 . 1 1 94 94 TYR HB3 H 1 2.978 0.000 . 2 . . . A 94 TYR HB3 . 18292 1 1118 . 1 1 94 94 TYR HD1 H 1 6.773 0.000 . 3 . . . A 94 TYR QD . 18292 1 1119 . 1 1 94 94 TYR HD2 H 1 6.773 0.000 . 3 . . . A 94 TYR QD . 18292 1 1120 . 1 1 94 94 TYR C C 13 174.953 0.000 . 1 . . . A 94 TYR C . 18292 1 1121 . 1 1 94 94 TYR CA C 13 60.012 0.000 . 1 . . . A 94 TYR CA . 18292 1 1122 . 1 1 94 94 TYR CB C 13 37.588 0.000 . 1 . . . A 94 TYR CB . 18292 1 1123 . 1 1 94 94 TYR CD1 C 13 127.954 0.000 . 3 . . . A 94 TYR CD1 . 18292 1 1124 . 1 1 94 94 TYR CD2 C 13 127.954 0.000 . 3 . . . A 94 TYR CD2 . 18292 1 1125 . 1 1 94 94 TYR N N 15 125.195 0.000 . 1 . . . A 94 TYR N . 18292 1 1126 . 1 1 95 95 HIS H H 1 8.529 0.000 . 1 . . . A 95 HIS H . 18292 1 1127 . 1 1 95 95 HIS HA H 1 4.187 0.000 . 1 . . . A 95 HIS HA . 18292 1 1128 . 1 1 95 95 HIS HB2 H 1 3.024 0.000 . 2 . . . A 95 HIS QB . 18292 1 1129 . 1 1 95 95 HIS HB3 H 1 3.024 0.000 . 2 . . . A 95 HIS QB . 18292 1 1130 . 1 1 95 95 HIS C C 13 173.780 0.000 . 1 . . . A 95 HIS C . 18292 1 1131 . 1 1 95 95 HIS CA C 13 53.471 0.000 . 1 . . . A 95 HIS CA . 18292 1 1132 . 1 1 95 95 HIS CB C 13 26.528 0.000 . 1 . . . A 95 HIS CB . 18292 1 1133 . 1 1 95 95 HIS N N 15 114.994 0.000 . 1 . . . A 95 HIS N . 18292 1 1134 . 1 1 96 96 ASN H H 1 7.343 0.000 . 1 . . . A 96 ASN H . 18292 1 1135 . 1 1 96 96 ASN HA H 1 4.315 0.000 . 1 . . . A 96 ASN HA . 18292 1 1136 . 1 1 96 96 ASN HB2 H 1 2.753 0.000 . 2 . . . A 96 ASN HB2 . 18292 1 1137 . 1 1 96 96 ASN HB3 H 1 2.627 0.000 . 2 . . . A 96 ASN HB3 . 18292 1 1138 . 1 1 96 96 ASN HD21 H 1 6.703 0.000 . . . . . A 96 ASN QD2 . 18292 1 1139 . 1 1 96 96 ASN HD22 H 1 6.703 0.000 . . . . . A 96 ASN QD2 . 18292 1 1140 . 1 1 96 96 ASN C C 13 175.849 0.000 . 1 . . . A 96 ASN C . 18292 1 1141 . 1 1 96 96 ASN CA C 13 52.814 0.000 . 1 . . . A 96 ASN CA . 18292 1 1142 . 1 1 96 96 ASN CB C 13 36.453 0.000 . 1 . . . A 96 ASN CB . 18292 1 1143 . 1 1 96 96 ASN N N 15 116.599 0.000 . 1 . . . A 96 ASN N . 18292 1 1144 . 1 1 96 96 ASN ND2 N 15 112.153 0.000 . 1 . . . A 96 ASN ND2 . 18292 1 1145 . 1 1 97 97 LEU H H 1 7.299 0.000 . 1 . . . A 97 LEU H . 18292 1 1146 . 1 1 97 97 LEU HA H 1 3.406 0.000 . 1 . . . A 97 LEU HA . 18292 1 1147 . 1 1 97 97 LEU HB2 H 1 -0.502 0.000 . 2 . . . A 97 LEU HB2 . 18292 1 1148 . 1 1 97 97 LEU HB3 H 1 0.788 0.000 . 2 . . . A 97 LEU HB3 . 18292 1 1149 . 1 1 97 97 LEU HG H 1 1.105 0.000 . 1 . . . A 97 LEU HG . 18292 1 1150 . 1 1 97 97 LEU HD11 H 1 0.297 0.000 . . . . . A 97 LEU QD1 . 18292 1 1151 . 1 1 97 97 LEU HD12 H 1 0.297 0.000 . . . . . A 97 LEU QD1 . 18292 1 1152 . 1 1 97 97 LEU HD13 H 1 0.297 0.000 . . . . . A 97 LEU QD1 . 18292 1 1153 . 1 1 97 97 LEU CA C 13 54.399 0.000 . 1 . . . A 97 LEU CA . 18292 1 1154 . 1 1 97 97 LEU CB C 13 39.614 0.000 . 1 . . . A 97 LEU CB . 18292 1 1155 . 1 1 97 97 LEU CG C 13 23.489 0.000 . 1 . . . A 97 LEU CG . 18292 1 1156 . 1 1 97 97 LEU CD1 C 13 19.562 0.000 . 2 . . . A 97 LEU CD1 . 18292 1 1157 . 1 1 97 97 LEU N N 15 119.316 0.000 . 1 . . . A 97 LEU N . 18292 1 1158 . 1 1 98 98 PHE H H 1 7.795 0.000 . 1 . . . A 98 PHE H . 18292 1 1159 . 1 1 98 98 PHE HA H 1 4.696 0.000 . 1 . . . A 98 PHE HA . 18292 1 1160 . 1 1 98 98 PHE HB2 H 1 2.370 0.000 . 2 . . . A 98 PHE HB2 . 18292 1 1161 . 1 1 98 98 PHE HB3 H 1 2.484 0.000 . 2 . . . A 98 PHE HB3 . 18292 1 1162 . 1 1 98 98 PHE HD1 H 1 6.014 0.000 . 3 . . . A 98 PHE QD . 18292 1 1163 . 1 1 98 98 PHE HD2 H 1 6.014 0.000 . 3 . . . A 98 PHE QD . 18292 1 1164 . 1 1 98 98 PHE HE1 H 1 5.762 0.000 . 3 . . . A 98 PHE QE . 18292 1 1165 . 1 1 98 98 PHE HE2 H 1 5.762 0.000 . 3 . . . A 98 PHE QE . 18292 1 1166 . 1 1 98 98 PHE HZ H 1 5.923 0.000 . 1 . . . A 98 PHE HZ . 18292 1 1167 . 1 1 98 98 PHE CA C 13 54.399 0.000 . 1 . . . A 98 PHE CA . 18292 1 1168 . 1 1 98 98 PHE CB C 13 35.380 0.000 . 1 . . . A 98 PHE CB . 18292 1 1169 . 1 1 98 98 PHE CD1 C 13 132.118 0.000 . 3 . . . A 98 PHE CD1 . 18292 1 1170 . 1 1 98 98 PHE CD2 C 13 129.000 0.000 . 3 . . . A 98 PHE CD2 . 18292 1 1171 . 1 1 98 98 PHE CE2 C 13 126.011 0.000 . 3 . . . A 98 PHE CE2 . 18292 1 1172 . 1 1 98 98 PHE CZ C 13 123.448 0.000 . 1 . . . A 98 PHE CZ . 18292 1 1173 . 1 1 98 98 PHE N N 15 113.688 0.000 . 1 . . . A 98 PHE N . 18292 1 1174 . 1 1 99 99 PRO HA H 1 4.430 0.000 . 1 . . . A 99 PRO HA . 18292 1 1175 . 1 1 99 99 PRO HB2 H 1 2.290 0.000 . 2 . . . A 99 PRO HB2 . 18292 1 1176 . 1 1 99 99 PRO HB3 H 1 1.862 0.000 . 2 . . . A 99 PRO HB3 . 18292 1 1177 . 1 1 99 99 PRO HG3 H 1 1.941 0.000 . 2 . . . A 99 PRO HG3 . 18292 1 1178 . 1 1 99 99 PRO HD2 H 1 3.175 0.000 . 2 . . . A 99 PRO HD2 . 18292 1 1179 . 1 1 99 99 PRO HD3 H 1 3.561 0.000 . 2 . . . A 99 PRO HD3 . 18292 1 1180 . 1 1 99 99 PRO C C 13 176.469 0.000 . 1 . . . A 99 PRO C . 18292 1 1181 . 1 1 99 99 PRO CA C 13 63.174 0.000 . 1 . . . A 99 PRO CA . 18292 1 1182 . 1 1 99 99 PRO CB C 13 28.822 0.000 . 1 . . . A 99 PRO CB . 18292 1 1183 . 1 1 99 99 PRO CG C 13 24.856 0.000 . 1 . . . A 99 PRO CG . 18292 1 1184 . 1 1 99 99 PRO CD C 13 47.283 0.000 . 1 . . . A 99 PRO CD . 18292 1 1185 . 1 1 100 100 ASP H H 1 8.897 0.000 . 1 . . . A 100 ASP H . 18292 1 1186 . 1 1 100 100 ASP HA H 1 4.306 0.000 . 1 . . . A 100 ASP HA . 18292 1 1187 . 1 1 100 100 ASP HB2 H 1 2.689 0.000 . 2 . . . A 100 ASP HB2 . 18292 1 1188 . 1 1 100 100 ASP HB3 H 1 2.556 0.000 . 2 . . . A 100 ASP HB3 . 18292 1 1189 . 1 1 100 100 ASP C C 13 174.886 0.000 . 1 . . . A 100 ASP C . 18292 1 1190 . 1 1 100 100 ASP CA C 13 53.064 0.000 . 1 . . . A 100 ASP CA . 18292 1 1191 . 1 1 100 100 ASP CB C 13 36.736 0.000 . 1 . . . A 100 ASP CB . 18292 1 1192 . 1 1 100 100 ASP N N 15 115.482 0.000 . 1 . . . A 100 ASP N . 18292 1 1193 . 1 1 101 101 SER H H 1 8.057 0.000 . 1 . . . A 101 SER H . 18292 1 1194 . 1 1 101 101 SER HA H 1 3.876 0.000 . 1 . . . A 101 SER HA . 18292 1 1195 . 1 1 101 101 SER HB2 H 1 2.515 0.000 . 2 . . . A 101 SER HB2 . 18292 1 1196 . 1 1 101 101 SER HB3 H 1 3.562 0.000 . 2 . . . A 101 SER HB3 . 18292 1 1197 . 1 1 101 101 SER C C 13 173.539 0.000 . 1 . . . A 101 SER C . 18292 1 1198 . 1 1 101 101 SER CA C 13 58.183 0.000 . 1 . . . A 101 SER CA . 18292 1 1199 . 1 1 101 101 SER CB C 13 61.403 0.000 . 1 . . . A 101 SER CB . 18292 1 1200 . 1 1 101 101 SER N N 15 114.743 0.000 . 1 . . . A 101 SER N . 18292 1 1201 . 1 1 102 102 MET H H 1 7.319 0.000 . 1 . . . A 102 MET H . 18292 1 1202 . 1 1 102 102 MET HA H 1 3.340 0.000 . 1 . . . A 102 MET HA . 18292 1 1203 . 1 1 102 102 MET HB2 H 1 1.829 0.000 . 2 . . . A 102 MET HB2 . 18292 1 1204 . 1 1 102 102 MET HB3 H 1 1.670 0.000 . 2 . . . A 102 MET HB3 . 18292 1 1205 . 1 1 102 102 MET HG2 H 1 2.016 0.000 . 2 . . . A 102 MET HG2 . 18292 1 1206 . 1 1 102 102 MET HG3 H 1 1.363 0.000 . 2 . . . A 102 MET HG3 . 18292 1 1207 . 1 1 102 102 MET HE1 H 1 1.913 0.000 . . . . . A 102 MET QE . 18292 1 1208 . 1 1 102 102 MET HE2 H 1 1.913 0.000 . . . . . A 102 MET QE . 18292 1 1209 . 1 1 102 102 MET HE3 H 1 1.913 0.000 . . . . . A 102 MET QE . 18292 1 1210 . 1 1 102 102 MET C C 13 174.488 0.000 . 1 . . . A 102 MET C . 18292 1 1211 . 1 1 102 102 MET CA C 13 56.606 0.000 . 1 . . . A 102 MET CA . 18292 1 1212 . 1 1 102 102 MET CB C 13 31.312 0.000 . 1 . . . A 102 MET CB . 18292 1 1213 . 1 1 102 102 MET CG C 13 28.964 0.000 . 1 . . . A 102 MET CG . 18292 1 1214 . 1 1 102 102 MET CE C 13 14.041 0.000 . 1 . . . A 102 MET CE . 18292 1 1215 . 1 1 102 102 MET N N 15 122.103 0.000 . 1 . . . A 102 MET N . 18292 1 1216 . 1 1 103 103 THR H H 1 7.216 0.000 . 1 . . . A 103 THR H . 18292 1 1217 . 1 1 103 103 THR HA H 1 4.318 0.000 . 1 . . . A 103 THR HA . 18292 1 1218 . 1 1 103 103 THR HB H 1 4.438 0.000 . 1 . . . A 103 THR HB . 18292 1 1219 . 1 1 103 103 THR HG21 H 1 1.010 0.000 . . . . . A 103 THR QG2 . 18292 1 1220 . 1 1 103 103 THR HG22 H 1 1.010 0.000 . . . . . A 103 THR QG2 . 18292 1 1221 . 1 1 103 103 THR HG23 H 1 1.010 0.000 . . . . . A 103 THR QG2 . 18292 1 1222 . 1 1 103 103 THR C C 13 171.121 0.000 . 1 . . . A 103 THR C . 18292 1 1223 . 1 1 103 103 THR CA C 13 57.203 0.000 . 1 . . . A 103 THR CA . 18292 1 1224 . 1 1 103 103 THR CB C 13 65.753 0.000 . 1 . . . A 103 THR CB . 18292 1 1225 . 1 1 103 103 THR CG2 C 13 18.967 0.000 . 1 . . . A 103 THR CG2 . 18292 1 1226 . 1 1 103 103 THR N N 15 104.780 0.000 . 1 . . . A 103 THR N . 18292 1 1227 . 1 1 104 104 ALA H H 1 6.605 0.000 . 1 . . . A 104 ALA H . 18292 1 1228 . 1 1 104 104 ALA HA H 1 4.347 0.000 . 1 . . . A 104 ALA HA . 18292 1 1229 . 1 1 104 104 ALA HB1 H 1 1.418 0.000 . . . . . A 104 ALA QB . 18292 1 1230 . 1 1 104 104 ALA HB2 H 1 1.418 0.000 . . . . . A 104 ALA QB . 18292 1 1231 . 1 1 104 104 ALA HB3 H 1 1.418 0.000 . . . . . A 104 ALA QB . 18292 1 1232 . 1 1 104 104 ALA C C 13 174.370 0.000 . 1 . . . A 104 ALA C . 18292 1 1233 . 1 1 104 104 ALA CA C 13 50.244 0.000 . 1 . . . A 104 ALA CA . 18292 1 1234 . 1 1 104 104 ALA CB C 13 16.077 0.000 . 1 . . . A 104 ALA CB . 18292 1 1235 . 1 1 104 104 ALA N N 15 125.795 0.000 . 1 . . . A 104 ALA N . 18292 1 1236 . 1 1 105 105 THR H H 1 8.698 0.000 . 1 . . . A 105 THR H . 18292 1 1237 . 1 1 105 105 THR HA H 1 4.390 0.000 . 1 . . . A 105 THR HA . 18292 1 1238 . 1 1 105 105 THR HB H 1 4.194 0.000 . 1 . . . A 105 THR HB . 18292 1 1239 . 1 1 105 105 THR HG21 H 1 1.071 0.000 . . . . . A 105 THR QG2 . 18292 1 1240 . 1 1 105 105 THR HG22 H 1 1.071 0.000 . . . . . A 105 THR QG2 . 18292 1 1241 . 1 1 105 105 THR HG23 H 1 1.071 0.000 . . . . . A 105 THR QG2 . 18292 1 1242 . 1 1 105 105 THR C C 13 171.563 0.000 . 1 . . . A 105 THR C . 18292 1 1243 . 1 1 105 105 THR CA C 13 58.977 0.000 . 1 . . . A 105 THR CA . 18292 1 1244 . 1 1 105 105 THR CB C 13 68.537 0.000 . 1 . . . A 105 THR CB . 18292 1 1245 . 1 1 105 105 THR CG2 C 13 18.729 0.000 . 1 . . . A 105 THR CG2 . 18292 1 1246 . 1 1 105 105 THR N N 15 111.482 0.000 . 1 . . . A 105 THR N . 18292 1 1247 . 1 1 106 106 GLN H H 1 7.944 0.000 . 1 . . . A 106 GLN H . 18292 1 1248 . 1 1 106 106 GLN HA H 1 4.294 0.000 . 1 . . . A 106 GLN HA . 18292 1 1249 . 1 1 106 106 GLN HB2 H 1 1.949 0.000 . 2 . . . A 106 GLN QB . 18292 1 1250 . 1 1 106 106 GLN HB3 H 1 1.949 0.000 . 2 . . . A 106 GLN QB . 18292 1 1251 . 1 1 106 106 GLN HG2 H 1 2.341 0.000 . 2 . . . A 106 GLN QG . 18292 1 1252 . 1 1 106 106 GLN HG3 H 1 2.341 0.000 . 2 . . . A 106 GLN QG . 18292 1 1253 . 1 1 106 106 GLN HE21 H 1 6.810 0.000 . 2 . . . A 106 GLN HE21 . 18292 1 1254 . 1 1 106 106 GLN HE22 H 1 7.457 0.000 . 2 . . . A 106 GLN HE22 . 18292 1 1255 . 1 1 106 106 GLN C C 13 172.973 0.000 . 1 . . . A 106 GLN C . 18292 1 1256 . 1 1 106 106 GLN CA C 13 52.710 0.000 . 1 . . . A 106 GLN CA . 18292 1 1257 . 1 1 106 106 GLN CB C 13 27.282 0.000 . 1 . . . A 106 GLN CB . 18292 1 1258 . 1 1 106 106 GLN CG C 13 31.046 0.000 . 1 . . . A 106 GLN CG . 18292 1 1259 . 1 1 106 106 GLN N N 15 123.003 0.000 . 1 . . . A 106 GLN N . 18292 1 1260 . 1 1 106 106 GLN NE2 N 15 112.668 0.000 . 1 . . . A 106 GLN NE2 . 18292 1 1261 . 1 1 107 107 LEU H H 1 8.390 0.000 . 1 . . . A 107 LEU H . 18292 1 1262 . 1 1 107 107 LEU HA H 1 4.328 0.000 . 1 . . . A 107 LEU HA . 18292 1 1263 . 1 1 107 107 LEU HB2 H 1 1.567 0.000 . 2 . . . A 107 LEU HB2 . 18292 1 1264 . 1 1 107 107 LEU HB3 H 1 1.760 0.000 . 2 . . . A 107 LEU HB3 . 18292 1 1265 . 1 1 107 107 LEU HG H 1 1.722 0.000 . 1 . . . A 107 LEU HG . 18292 1 1266 . 1 1 107 107 LEU HD11 H 1 0.816 0.000 . . . . . A 107 LEU QD1 . 18292 1 1267 . 1 1 107 107 LEU HD12 H 1 0.816 0.000 . . . . . A 107 LEU QD1 . 18292 1 1268 . 1 1 107 107 LEU HD13 H 1 0.816 0.000 . . . . . A 107 LEU QD1 . 18292 1 1269 . 1 1 107 107 LEU HD21 H 1 0.900 0.000 . . . . . A 107 LEU QD2 . 18292 1 1270 . 1 1 107 107 LEU HD22 H 1 0.900 0.000 . . . . . A 107 LEU QD2 . 18292 1 1271 . 1 1 107 107 LEU HD23 H 1 0.900 0.000 . . . . . A 107 LEU QD2 . 18292 1 1272 . 1 1 107 107 LEU C C 13 174.110 0.000 . 1 . . . A 107 LEU C . 18292 1 1273 . 1 1 107 107 LEU CA C 13 52.798 0.000 . 1 . . . A 107 LEU CA . 18292 1 1274 . 1 1 107 107 LEU CB C 13 37.829 0.000 . 1 . . . A 107 LEU CB . 18292 1 1275 . 1 1 107 107 LEU CG C 13 24.878 0.000 . 1 . . . A 107 LEU CG . 18292 1 1276 . 1 1 107 107 LEU CD1 C 13 20.455 0.000 . 2 . . . A 107 LEU CD1 . 18292 1 1277 . 1 1 107 107 LEU CD2 C 13 22.835 0.000 . 2 . . . A 107 LEU CD2 . 18292 1 1278 . 1 1 107 107 LEU N N 15 124.765 0.000 . 1 . . . A 107 LEU N . 18292 1 1279 . 1 1 108 108 LEU H H 1 8.480 0.000 . 1 . . . A 108 LEU H . 18292 1 1280 . 1 1 108 108 LEU HA H 1 4.259 0.000 . 1 . . . A 108 LEU HA . 18292 1 1281 . 1 1 108 108 LEU HB2 H 1 1.266 0.000 . 2 . . . A 108 LEU HB2 . 18292 1 1282 . 1 1 108 108 LEU HB3 H 1 1.451 0.000 . 2 . . . A 108 LEU HB3 . 18292 1 1283 . 1 1 108 108 LEU HG H 1 1.594 0.000 . 1 . . . A 108 LEU HG . 18292 1 1284 . 1 1 108 108 LEU HD11 H 1 0.593 0.000 . . . . . A 108 LEU QD1 . 18292 1 1285 . 1 1 108 108 LEU HD12 H 1 0.593 0.000 . . . . . A 108 LEU QD1 . 18292 1 1286 . 1 1 108 108 LEU HD13 H 1 0.593 0.000 . . . . . A 108 LEU QD1 . 18292 1 1287 . 1 1 108 108 LEU HD21 H 1 0.764 0.000 . . . . . A 108 LEU QD2 . 18292 1 1288 . 1 1 108 108 LEU HD22 H 1 0.764 0.000 . . . . . A 108 LEU QD2 . 18292 1 1289 . 1 1 108 108 LEU HD23 H 1 0.764 0.000 . . . . . A 108 LEU QD2 . 18292 1 1290 . 1 1 108 108 LEU C C 13 173.870 0.000 . 1 . . . A 108 LEU C . 18292 1 1291 . 1 1 108 108 LEU CA C 13 52.092 0.000 . 1 . . . A 108 LEU CA . 18292 1 1292 . 1 1 108 108 LEU CB C 13 39.253 0.000 . 1 . . . A 108 LEU CB . 18292 1 1293 . 1 1 108 108 LEU CG C 13 24.228 0.000 . 1 . . . A 108 LEU CG . 18292 1 1294 . 1 1 108 108 LEU CD1 C 13 23.237 0.000 . 2 . . . A 108 LEU CD1 . 18292 1 1295 . 1 1 108 108 LEU CD2 C 13 19.151 0.000 . 2 . . . A 108 LEU CD2 . 18292 1 1296 . 1 1 108 108 LEU N N 15 122.332 0.000 . 1 . . . A 108 LEU N . 18292 1 1297 . 1 1 109 109 VAL H H 1 8.007 0.000 . 1 . . . A 109 VAL H . 18292 1 1298 . 1 1 109 109 VAL HA H 1 4.444 0.000 . 1 . . . A 109 VAL HA . 18292 1 1299 . 1 1 109 109 VAL HB H 1 1.987 0.000 . 1 . . . A 109 VAL HB . 18292 1 1300 . 1 1 109 109 VAL HG11 H 1 0.871 0.000 . . . . . A 109 VAL QG1 . 18292 1 1301 . 1 1 109 109 VAL HG12 H 1 0.871 0.000 . . . . . A 109 VAL QG1 . 18292 1 1302 . 1 1 109 109 VAL HG13 H 1 0.871 0.000 . . . . . A 109 VAL QG1 . 18292 1 1303 . 1 1 109 109 VAL HG21 H 1 0.766 0.000 . . . . . A 109 VAL QG2 . 18292 1 1304 . 1 1 109 109 VAL HG22 H 1 0.766 0.000 . . . . . A 109 VAL QG2 . 18292 1 1305 . 1 1 109 109 VAL HG23 H 1 0.766 0.000 . . . . . A 109 VAL QG2 . 18292 1 1306 . 1 1 109 109 VAL CA C 13 55.640 0.000 . 1 . . . A 109 VAL CA . 18292 1 1307 . 1 1 109 109 VAL CB C 13 31.153 0.000 . 1 . . . A 109 VAL CB . 18292 1 1308 . 1 1 109 109 VAL CG1 C 13 18.551 0.000 . 2 . . . A 109 VAL CG1 . 18292 1 1309 . 1 1 109 109 VAL CG2 C 13 16.524 0.000 . 2 . . . A 109 VAL CG2 . 18292 1 1310 . 1 1 109 109 VAL N N 15 115.421 0.000 . 1 . . . A 109 VAL N . 18292 1 1311 . 1 1 110 110 PRO HA H 1 4.361 0.000 . 1 . . . A 110 PRO HA . 18292 1 1312 . 1 1 110 110 PRO HB2 H 1 2.024 0.000 . 2 . . . A 110 PRO QB . 18292 1 1313 . 1 1 110 110 PRO HB3 H 1 2.024 0.000 . 2 . . . A 110 PRO QB . 18292 1 1314 . 1 1 110 110 PRO HG2 H 1 1.695 0.000 . 2 . . . A 110 PRO HG2 . 18292 1 1315 . 1 1 110 110 PRO HG3 H 1 2.062 0.000 . 2 . . . A 110 PRO HG3 . 18292 1 1316 . 1 1 110 110 PRO HD2 H 1 3.555 0.000 . 2 . . . A 110 PRO HD2 . 18292 1 1317 . 1 1 110 110 PRO HD3 H 1 3.490 0.000 . 2 . . . A 110 PRO HD3 . 18292 1 1318 . 1 1 110 110 PRO C C 13 173.778 0.000 . 1 . . . A 110 PRO C . 18292 1 1319 . 1 1 110 110 PRO CA C 13 59.737 0.000 . 1 . . . A 110 PRO CA . 18292 1 1320 . 1 1 110 110 PRO CB C 13 29.710 0.000 . 1 . . . A 110 PRO CB . 18292 1 1321 . 1 1 110 110 PRO CG C 13 25.050 0.000 . 1 . . . A 110 PRO CG . 18292 1 1322 . 1 1 110 110 PRO CD C 13 48.103 0.000 . 1 . . . A 110 PRO CD . 18292 1 1323 . 1 1 111 111 SER H H 1 9.945 0.000 . 1 . . . A 111 SER H . 18292 1 1324 . 1 1 111 111 SER HA H 1 4.139 0.000 . 1 . . . A 111 SER HA . 18292 1 1325 . 1 1 111 111 SER HB2 H 1 3.828 0.000 . 2 . . . A 111 SER HB2 . 18292 1 1326 . 1 1 111 111 SER HB3 H 1 3.866 0.000 . 2 . . . A 111 SER HB3 . 18292 1 1327 . 1 1 111 111 SER C C 13 172.475 0.000 . 1 . . . A 111 SER C . 18292 1 1328 . 1 1 111 111 SER CA C 13 57.674 0.000 . 1 . . . A 111 SER CA . 18292 1 1329 . 1 1 111 111 SER CB C 13 60.580 0.000 . 1 . . . A 111 SER CB . 18292 1 1330 . 1 1 111 111 SER N N 15 120.434 0.000 . 1 . . . A 111 SER N . 18292 1 1331 . 1 1 112 112 ARG H H 1 7.861 0.000 . 1 . . . A 112 ARG H . 18292 1 1332 . 1 1 112 112 ARG HA H 1 4.253 0.000 . 1 . . . A 112 ARG HA . 18292 1 1333 . 1 1 112 112 ARG HB2 H 1 1.737 0.000 . 2 . . . A 112 ARG HB2 . 18292 1 1334 . 1 1 112 112 ARG HB3 H 1 1.765 0.000 . 2 . . . A 112 ARG HB3 . 18292 1 1335 . 1 1 112 112 ARG HG2 H 1 1.474 0.000 . 2 . . . A 112 ARG HG2 . 18292 1 1336 . 1 1 112 112 ARG HD2 H 1 3.093 0.000 . 2 . . . A 112 ARG QD . 18292 1 1337 . 1 1 112 112 ARG HD3 H 1 3.093 0.000 . 2 . . . A 112 ARG QD . 18292 1 1338 . 1 1 112 112 ARG C C 13 172.216 0.000 . 1 . . . A 112 ARG C . 18292 1 1339 . 1 1 112 112 ARG CA C 13 53.071 0.000 . 1 . . . A 112 ARG CA . 18292 1 1340 . 1 1 112 112 ARG CB C 13 27.963 0.000 . 1 . . . A 112 ARG CB . 18292 1 1341 . 1 1 112 112 ARG CG C 13 24.071 0.000 . 1 . . . A 112 ARG CG . 18292 1 1342 . 1 1 112 112 ARG CD C 13 41.115 0.000 . 1 . . . A 112 ARG CD . 18292 1 1343 . 1 1 112 112 ARG N N 15 121.013 0.000 . 1 . . . A 112 ARG N . 18292 1 1344 . 1 1 113 113 ARG H H 1 7.679 0.000 . 1 . . . A 113 ARG H . 18292 1 1345 . 1 1 113 113 ARG HA H 1 4.083 0.000 . 1 . . . A 113 ARG HA . 18292 1 1346 . 1 1 113 113 ARG HB2 H 1 1.757 0.000 . 2 . . . A 113 ARG HB2 . 18292 1 1347 . 1 1 113 113 ARG HG3 H 1 1.584 0.000 . 2 . . . A 113 ARG HG3 . 18292 1 1348 . 1 1 113 113 ARG CA C 13 54.268 0.000 . 1 . . . A 113 ARG CA . 18292 1 1349 . 1 1 113 113 ARG CB C 13 29.023 0.000 . 1 . . . A 113 ARG CB . 18292 1 1350 . 1 1 113 113 ARG CG C 13 28.987 0.000 . 1 . . . A 113 ARG CG . 18292 1 1351 . 1 1 113 113 ARG CD C 13 41.246 0.000 . 1 . . . A 113 ARG CD . 18292 1 1352 . 1 1 113 113 ARG N N 15 126.950 0.000 . 1 . . . A 113 ARG N . 18292 1 stop_ save_