data_15599 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15599 _Entry.Title ; 1H, 13C and 15N Assignments of Human Phosphohistidine Phosphatase 1 (PHPT1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-18 _Entry.Accession_date 2007-12-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Weibin Gong . . . 15599 2 Gaofeng Cui . . . 15599 3 Changwen Jin . . . 15599 4 Bin Xia . . . 15599 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 . 'not applicable' 'not applicable' . 15599 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15599 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 15599 '15N chemical shifts' 109 15599 '1H chemical shifts' 706 15599 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 2 . . 2009-02-20 2007-12-18 update BMRB 'complete entry citation' 15599 1 . . 2008-11-14 2007-12-18 original author 'original release' 15599 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6625 'Pi-bound form PHPT1' 15599 PDB 2OZX 'Pi-free structure' 15599 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15599 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18991813 _Citation.Full_citation . _Citation.Title 'Solution structure and catalytic mechanism of human protein histidine phosphatase 1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 418 _Citation.Journal_issue 2 _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 337 _Citation.Page_last 344 _Citation.Year 2008 _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 Weibin Gong . . . 15599 1 2 Yifei Li . . . 15599 1 3 Gaofeng Cui . . . 15599 1 4 Jicheng Hu . . . 15599 1 5 Huaming Fang . . . 15599 1 6 Changwen Jin . . . 15599 1 7 Bin Xia . . . 15599 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15599 _Assembly.ID 1 _Assembly.Name 'PHPT1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'PHPT1 monomer' 1 $entity_phpt1_lower A . yes native yes no . . . 15599 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2OZW . . 'solution NMR' . . 'Structure of PHPT1 in Pi-free form' 15599 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_phpt1_lower _Entity.Sf_category entity _Entity.Sf_framecode entity_phpt1_lower _Entity.Entry_ID 15599 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_phpt1_lower _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAVADLALIPDVDIDSDGVF KYVLIRVHSAPRSGAPAAES KEIVRGYKWAEYHADIYDKV SGDMQKQGCDCECLGGGRIS HQSQDKKIHVYGYSMAYGPA QHAISTEKIKAKYPDYEVTW ANDGY ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment A _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13833.00 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2AI6 . "Solution Structure Of Human Phosphohistidine Phosphatase 1" . . . . . 99.20 125 100.00 100.00 2.56e-84 . . . . 15599 1 2 no PDB 2HW4 . "Crystal Structure Of Human Phosphohistidine Phosphatase" . . . . . 96.80 144 100.00 100.00 2.10e-82 . . . . 15599 1 3 no PDB 2NMM . "Crystal Structure Of Human Phosphohistidine Phosphatase. Northeast Structural Genomics Consortium Target Hr1409" . . . . . 99.20 135 98.39 98.39 9.07e-82 . . . . 15599 1 4 no PDB 2OZW . "Solution Structure Of Human Phosphohistidine Phosphatase 1 With Phosphate Ligand" . . . . . 99.20 125 100.00 100.00 2.56e-84 . . . . 15599 1 5 no PDB 2OZX . "Solution Structure Of Human Phosphohistidine Phosphatase 1 In Phosphate Free Form" . . . . . 99.20 125 100.00 100.00 2.56e-84 . . . . 15599 1 6 no DBJ BAI46371 . "phosphohistidine phosphatase 1 [synthetic construct]" . . . . . 100.00 125 97.60 98.40 1.11e-83 . . . . 15599 1 7 no EMBL CAB66579 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 125 97.60 98.40 1.11e-83 . . . . 15599 1 8 no EMBL CAG38512 . "PHP14 [Homo sapiens]" . . . . . 100.00 125 97.60 98.40 1.83e-83 . . . . 15599 1 9 no EMBL CAL38548 . "hypothetical protein [synthetic construct]" . . . . . 100.00 125 97.60 98.40 1.11e-83 . . . . 15599 1 10 no GB AAF80759 . "sex-regulated protein janus-a [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 4.31e-85 . . . . 15599 1 11 no GB AAG01156 . "CGI-202 [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 4.31e-85 . . . . 15599 1 12 no GB AAH24648 . "Phosphohistidine phosphatase 1 [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 4.31e-85 . . . . 15599 1 13 no GB AAN52504 . "phosphohistidine phosphatase [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 4.31e-85 . . . . 15599 1 14 no GB ACJ13700 . "epididymis secretory sperm binding protein Li 132P [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 4.31e-85 . . . . 15599 1 15 no REF NP_001129333 . "14 kDa phosphohistidine phosphatase isoform 2 [Homo sapiens]" . . . . . 76.00 124 100.00 100.00 1.64e-60 . . . . 15599 1 16 no REF NP_001274271 . "14 kDa phosphohistidine phosphatase isoform 4 [Homo sapiens]" . . . . . 101.60 127 98.43 98.43 4.67e-83 . . . . 15599 1 17 no REF NP_054891 . "14 kDa phosphohistidine phosphatase isoform 3 [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 4.31e-85 . . . . 15599 1 18 no REF XP_001117869 . "PREDICTED: hypothetical protein LOC721674 [Macaca mulatta]" . . . . . 57.60 153 98.61 98.61 8.04e-44 . . . . 15599 1 19 no REF XP_004048950 . "PREDICTED: 14 kDa phosphohistidine phosphatase isoform 1 [Gorilla gorilla gorilla]" . . . . . 100.00 125 97.60 98.40 7.47e-83 . . . . 15599 1 20 no SP Q9NRX4 . "RecName: Full=14 kDa phosphohistidine phosphatase; AltName: Full=Phosphohistidine phosphatase 1; AltName: Full=Protein janus-A " . . . . . 100.00 125 100.00 100.00 4.31e-85 . . . . 15599 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protein histidine phosphatase' 15599 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 . MET . 15599 1 2 . ALA . 15599 1 3 . VAL . 15599 1 4 . ALA . 15599 1 5 . ASP . 15599 1 6 . LEU . 15599 1 7 . ALA . 15599 1 8 . LEU . 15599 1 9 . ILE . 15599 1 10 . PRO . 15599 1 11 . ASP . 15599 1 12 . VAL . 15599 1 13 . ASP . 15599 1 14 . ILE . 15599 1 15 . ASP . 15599 1 16 . SER . 15599 1 17 . ASP . 15599 1 18 . GLY . 15599 1 19 . VAL . 15599 1 20 . PHE . 15599 1 21 . LYS . 15599 1 22 . TYR . 15599 1 23 . VAL . 15599 1 24 . LEU . 15599 1 25 . ILE . 15599 1 26 . ARG . 15599 1 27 . VAL . 15599 1 28 . HIS . 15599 1 29 . SER . 15599 1 30 . ALA . 15599 1 31 . PRO . 15599 1 32 . ARG . 15599 1 33 . SER . 15599 1 34 . GLY . 15599 1 35 . ALA . 15599 1 36 . PRO . 15599 1 37 . ALA . 15599 1 38 . ALA . 15599 1 39 . GLU . 15599 1 40 . SER . 15599 1 41 . LYS . 15599 1 42 . GLU . 15599 1 43 . ILE . 15599 1 44 . VAL . 15599 1 45 . ARG . 15599 1 46 . GLY . 15599 1 47 . TYR . 15599 1 48 . LYS . 15599 1 49 . TRP . 15599 1 50 . ALA . 15599 1 51 . GLU . 15599 1 52 . TYR . 15599 1 53 . HIS . 15599 1 54 . ALA . 15599 1 55 . ASP . 15599 1 56 . ILE . 15599 1 57 . TYR . 15599 1 58 . ASP . 15599 1 59 . LYS . 15599 1 60 . VAL . 15599 1 61 . SER . 15599 1 62 . GLY . 15599 1 63 . ASP . 15599 1 64 . MET . 15599 1 65 . GLN . 15599 1 66 . LYS . 15599 1 67 . GLN . 15599 1 68 . GLY . 15599 1 69 . CYS . 15599 1 70 . ASP . 15599 1 71 . CYS . 15599 1 72 . GLU . 15599 1 73 . CYS . 15599 1 74 . LEU . 15599 1 75 . GLY . 15599 1 76 . GLY . 15599 1 77 . GLY . 15599 1 78 . ARG . 15599 1 79 . ILE . 15599 1 80 . SER . 15599 1 81 . HIS . 15599 1 82 . GLN . 15599 1 83 . SER . 15599 1 84 . GLN . 15599 1 85 . ASP . 15599 1 86 . LYS . 15599 1 87 . LYS . 15599 1 88 . ILE . 15599 1 89 . HIS . 15599 1 90 . VAL . 15599 1 91 . TYR . 15599 1 92 . GLY . 15599 1 93 . TYR . 15599 1 94 . SER . 15599 1 95 . MET . 15599 1 96 . ALA . 15599 1 97 . TYR . 15599 1 98 . GLY . 15599 1 99 . PRO . 15599 1 100 . ALA . 15599 1 101 . GLN . 15599 1 102 . HIS . 15599 1 103 . ALA . 15599 1 104 . ILE . 15599 1 105 . SER . 15599 1 106 . THR . 15599 1 107 . GLU . 15599 1 108 . LYS . 15599 1 109 . ILE . 15599 1 110 . LYS . 15599 1 111 . ALA . 15599 1 112 . LYS . 15599 1 113 . TYR . 15599 1 114 . PRO . 15599 1 115 . ASP . 15599 1 116 . TYR . 15599 1 117 . GLU . 15599 1 118 . VAL . 15599 1 119 . THR . 15599 1 120 . TRP . 15599 1 121 . ALA . 15599 1 122 . ASN . 15599 1 123 . ASP . 15599 1 124 . GLY . 15599 1 125 . TYR . 15599 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15599 1 . ALA 2 2 15599 1 . VAL 3 3 15599 1 . ALA 4 4 15599 1 . ASP 5 5 15599 1 . LEU 6 6 15599 1 . ALA 7 7 15599 1 . LEU 8 8 15599 1 . ILE 9 9 15599 1 . PRO 10 10 15599 1 . ASP 11 11 15599 1 . VAL 12 12 15599 1 . ASP 13 13 15599 1 . ILE 14 14 15599 1 . ASP 15 15 15599 1 . SER 16 16 15599 1 . ASP 17 17 15599 1 . GLY 18 18 15599 1 . VAL 19 19 15599 1 . PHE 20 20 15599 1 . LYS 21 21 15599 1 . TYR 22 22 15599 1 . VAL 23 23 15599 1 . LEU 24 24 15599 1 . ILE 25 25 15599 1 . ARG 26 26 15599 1 . VAL 27 27 15599 1 . HIS 28 28 15599 1 . SER 29 29 15599 1 . ALA 30 30 15599 1 . PRO 31 31 15599 1 . ARG 32 32 15599 1 . SER 33 33 15599 1 . GLY 34 34 15599 1 . ALA 35 35 15599 1 . PRO 36 36 15599 1 . ALA 37 37 15599 1 . ALA 38 38 15599 1 . GLU 39 39 15599 1 . SER 40 40 15599 1 . LYS 41 41 15599 1 . GLU 42 42 15599 1 . ILE 43 43 15599 1 . VAL 44 44 15599 1 . ARG 45 45 15599 1 . GLY 46 46 15599 1 . TYR 47 47 15599 1 . LYS 48 48 15599 1 . TRP 49 49 15599 1 . ALA 50 50 15599 1 . GLU 51 51 15599 1 . TYR 52 52 15599 1 . HIS 53 53 15599 1 . ALA 54 54 15599 1 . ASP 55 55 15599 1 . ILE 56 56 15599 1 . TYR 57 57 15599 1 . ASP 58 58 15599 1 . LYS 59 59 15599 1 . VAL 60 60 15599 1 . SER 61 61 15599 1 . GLY 62 62 15599 1 . ASP 63 63 15599 1 . MET 64 64 15599 1 . GLN 65 65 15599 1 . LYS 66 66 15599 1 . GLN 67 67 15599 1 . GLY 68 68 15599 1 . CYS 69 69 15599 1 . ASP 70 70 15599 1 . CYS 71 71 15599 1 . GLU 72 72 15599 1 . CYS 73 73 15599 1 . LEU 74 74 15599 1 . GLY 75 75 15599 1 . GLY 76 76 15599 1 . GLY 77 77 15599 1 . ARG 78 78 15599 1 . ILE 79 79 15599 1 . SER 80 80 15599 1 . HIS 81 81 15599 1 . GLN 82 82 15599 1 . SER 83 83 15599 1 . GLN 84 84 15599 1 . ASP 85 85 15599 1 . LYS 86 86 15599 1 . LYS 87 87 15599 1 . ILE 88 88 15599 1 . HIS 89 89 15599 1 . VAL 90 90 15599 1 . TYR 91 91 15599 1 . GLY 92 92 15599 1 . TYR 93 93 15599 1 . SER 94 94 15599 1 . MET 95 95 15599 1 . ALA 96 96 15599 1 . TYR 97 97 15599 1 . GLY 98 98 15599 1 . PRO 99 99 15599 1 . ALA 100 100 15599 1 . GLN 101 101 15599 1 . HIS 102 102 15599 1 . ALA 103 103 15599 1 . ILE 104 104 15599 1 . SER 105 105 15599 1 . THR 106 106 15599 1 . GLU 107 107 15599 1 . LYS 108 108 15599 1 . ILE 109 109 15599 1 . LYS 110 110 15599 1 . ALA 111 111 15599 1 . LYS 112 112 15599 1 . TYR 113 113 15599 1 . PRO 114 114 15599 1 . ASP 115 115 15599 1 . TYR 116 116 15599 1 . GLU 117 117 15599 1 . VAL 118 118 15599 1 . THR 119 119 15599 1 . TRP 120 120 15599 1 . ALA 121 121 15599 1 . ASN 122 122 15599 1 . ASP 123 123 15599 1 . GLY 124 124 15599 1 . TYR 125 125 15599 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 15599 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_phpt1_lower . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . phpt1 . . . . 15599 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 15599 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_phpt1_lower . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28a . . . . . . 15599 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15599 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_phpt1_lower '[U-95% 13C; U-95% 15N]' . . 1 $entity_phpt1_lower . . 1 . . mM . . . . 15599 1 2 Tris-HCl . . . . . . . 50 . . mM . . . . 15599 1 3 NaCl . . . . . . . 50 . . mM . . . . 15599 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15599 1 5 H2O . . . . . . . 90 . . % . . . . 15599 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 15599 _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' 0.15 . M 15599 1 pH 7.2 . pH 15599 1 pressure 1 . atm 15599 1 temperature 298 . K 15599 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15599 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 15599 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15599 1 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 15599 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15599 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15599 _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 . 500 . . . 15599 1 2 spectrometer_2 Bruker Avance . 600 . . . 15599 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 15599 _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 . . . . . . . . . . . . . . . . . . . . . 15599 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15599 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15599 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15599 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15599 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15599 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 15599 _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 carbons' . . . . ppm 0 internal indirect 1.0 . . . . . . . . . 15599 1 H 1 DSS protons . . . . ppm 0 internal direct 1.0 . . . . . . . . . 15599 1 N 15 DSS nitrogen . . . . ppm 0 internal indirect 1.0 . . . . . . . . . 15599 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_assignments_phpt1_lower _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_phpt1_lower _Assigned_chem_shift_list.Entry_ID 15599 _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' . . . 15599 1 3 '3D HNCACB' . . . 15599 1 4 '3D CBCA(CO)NH' . . . 15599 1 5 '3D HCCH-TOCSY' . . . 15599 1 6 '3D HBHA(CO)NH' . . . 15599 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 15599 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.430 0.03 . 1 . . . . 1 MET HA . 15599 1 2 . 1 1 1 1 MET HB2 H 1 1.939 0.03 . 2 . . . . 1 MET HB1 . 15599 1 3 . 1 1 1 1 MET HB3 H 1 2.040 0.03 . 2 . . . . 1 MET HB2 . 15599 1 4 . 1 1 1 1 MET CA C 13 55.370 0.3 . 1 . . . . 1 MET CA . 15599 1 5 . 1 1 1 1 MET CB C 13 33.184 0.3 . 1 . . . . 1 MET CB . 15599 1 6 . 1 1 2 2 ALA H H 1 8.316 0.03 . 1 . . . . 2 ALA HN . 15599 1 7 . 1 1 2 2 ALA HA H 1 4.345 0.03 . 1 . . . . 2 ALA HA . 15599 1 8 . 1 1 2 2 ALA HB1 H 1 1.376 0.03 . 1 . . . . 2 ALA HB1 . 15599 1 9 . 1 1 2 2 ALA HB2 H 1 1.376 0.03 . 1 . . . . 2 ALA HB1 . 15599 1 10 . 1 1 2 2 ALA HB3 H 1 1.376 0.03 . 1 . . . . 2 ALA HB1 . 15599 1 11 . 1 1 2 2 ALA CA C 13 52.503 0.3 . 1 . . . . 2 ALA CA . 15599 1 12 . 1 1 2 2 ALA CB C 13 19.530 0.3 . 1 . . . . 2 ALA CB . 15599 1 13 . 1 1 2 2 ALA N N 15 126.700 0.3 . 1 . . . . 2 ALA N . 15599 1 14 . 1 1 3 3 VAL H H 1 8.048 0.03 . 1 . . . . 3 VAL HN . 15599 1 15 . 1 1 3 3 VAL HA H 1 4.142 0.03 . 1 . . . . 3 VAL HA . 15599 1 16 . 1 1 3 3 VAL HB H 1 2.055 0.03 . 1 . . . . 3 VAL HB . 15599 1 17 . 1 1 3 3 VAL HG11 H 1 0.946 0.03 . 2 . . . . 3 VAL HG11 . 15599 1 18 . 1 1 3 3 VAL HG12 H 1 0.946 0.03 . 2 . . . . 3 VAL HG11 . 15599 1 19 . 1 1 3 3 VAL HG13 H 1 0.946 0.03 . 2 . . . . 3 VAL HG11 . 15599 1 20 . 1 1 3 3 VAL HG21 H 1 0.950 0.03 . 2 . . . . 3 VAL HG21 . 15599 1 21 . 1 1 3 3 VAL HG22 H 1 0.950 0.03 . 2 . . . . 3 VAL HG21 . 15599 1 22 . 1 1 3 3 VAL HG23 H 1 0.950 0.03 . 2 . . . . 3 VAL HG21 . 15599 1 23 . 1 1 3 3 VAL CA C 13 61.840 0.3 . 1 . . . . 3 VAL CA . 15599 1 24 . 1 1 3 3 VAL CB C 13 33.220 0.3 . 1 . . . . 3 VAL CB . 15599 1 25 . 1 1 3 3 VAL CG1 C 13 20.662 0.3 . 1 . . . . 3 VAL CG1 . 15599 1 26 . 1 1 3 3 VAL CG2 C 13 21.551 0.3 . 1 . . . . 3 VAL CG2 . 15599 1 27 . 1 1 3 3 VAL N N 15 120.100 0.3 . 1 . . . . 3 VAL N . 15599 1 28 . 1 1 4 4 ALA H H 1 8.457 0.03 . 1 . . . . 4 ALA HN . 15599 1 29 . 1 1 4 4 ALA HA H 1 4.270 0.03 . 1 . . . . 4 ALA HA . 15599 1 30 . 1 1 4 4 ALA HB1 H 1 1.326 0.03 . 1 . . . . 4 ALA HB1 . 15599 1 31 . 1 1 4 4 ALA HB2 H 1 1.326 0.03 . 1 . . . . 4 ALA HB1 . 15599 1 32 . 1 1 4 4 ALA HB3 H 1 1.326 0.03 . 1 . . . . 4 ALA HB1 . 15599 1 33 . 1 1 4 4 ALA CA C 13 52.721 0.3 . 1 . . . . 4 ALA CA . 15599 1 34 . 1 1 4 4 ALA CB C 13 19.951 0.3 . 1 . . . . 4 ALA CB . 15599 1 35 . 1 1 4 4 ALA N N 15 128.630 0.3 . 1 . . . . 4 ALA N . 15599 1 36 . 1 1 5 5 ASP H H 1 8.037 0.03 . 1 . . . . 5 ASP HN . 15599 1 37 . 1 1 5 5 ASP HA H 1 4.607 0.03 . 1 . . . . 5 ASP HA . 15599 1 38 . 1 1 5 5 ASP HB2 H 1 2.560 0.03 . 2 . . . . 5 ASP HB1 . 15599 1 39 . 1 1 5 5 ASP HB3 H 1 2.774 0.03 . 2 . . . . 5 ASP HB2 . 15599 1 40 . 1 1 5 5 ASP CA C 13 53.591 0.3 . 1 . . . . 5 ASP CA . 15599 1 41 . 1 1 5 5 ASP CB C 13 41.335 0.3 . 1 . . . . 5 ASP CB . 15599 1 42 . 1 1 5 5 ASP N N 15 120.300 0.3 . 1 . . . . 5 ASP N . 15599 1 43 . 1 1 6 6 LEU H H 1 8.696 0.03 . 1 . . . . 6 LEU HN . 15599 1 44 . 1 1 6 6 LEU HA H 1 3.915 0.03 . 1 . . . . 6 LEU HA . 15599 1 45 . 1 1 6 6 LEU HB2 H 1 1.323 0.03 . 2 . . . . 6 LEU HB1 . 15599 1 46 . 1 1 6 6 LEU HB3 H 1 1.788 0.03 . 2 . . . . 6 LEU HB2 . 15599 1 47 . 1 1 6 6 LEU HD11 H 1 0.737 0.03 . 2 . . . . 6 LEU HD11 . 15599 1 48 . 1 1 6 6 LEU HD12 H 1 0.737 0.03 . 2 . . . . 6 LEU HD11 . 15599 1 49 . 1 1 6 6 LEU HD13 H 1 0.737 0.03 . 2 . . . . 6 LEU HD11 . 15599 1 50 . 1 1 6 6 LEU HD21 H 1 0.654 0.03 . 2 . . . . 6 LEU HD21 . 15599 1 51 . 1 1 6 6 LEU HD22 H 1 0.654 0.03 . 2 . . . . 6 LEU HD21 . 15599 1 52 . 1 1 6 6 LEU HD23 H 1 0.654 0.03 . 2 . . . . 6 LEU HD21 . 15599 1 53 . 1 1 6 6 LEU HG H 1 1.691 0.03 . 1 . . . . 6 LEU HG . 15599 1 54 . 1 1 6 6 LEU CA C 13 57.049 0.3 . 1 . . . . 6 LEU CA . 15599 1 55 . 1 1 6 6 LEU CB C 13 41.439 0.3 . 1 . . . . 6 LEU CB . 15599 1 56 . 1 1 6 6 LEU CD1 C 13 25.560 0.3 . 1 . . . . 6 LEU CD1 . 15599 1 57 . 1 1 6 6 LEU CD2 C 13 23.779 0.3 . 1 . . . . 6 LEU CD2 . 15599 1 58 . 1 1 6 6 LEU CG C 13 27.210 0.3 . 1 . . . . 6 LEU CG . 15599 1 59 . 1 1 6 6 LEU N N 15 125.300 0.3 . 1 . . . . 6 LEU N . 15599 1 60 . 1 1 7 7 ALA H H 1 8.232 0.03 . 1 . . . . 7 ALA HN . 15599 1 61 . 1 1 7 7 ALA HA H 1 4.093 0.03 . 1 . . . . 7 ALA HA . 15599 1 62 . 1 1 7 7 ALA HB1 H 1 1.402 0.03 . 1 . . . . 7 ALA HB1 . 15599 1 63 . 1 1 7 7 ALA HB2 H 1 1.402 0.03 . 1 . . . . 7 ALA HB1 . 15599 1 64 . 1 1 7 7 ALA HB3 H 1 1.402 0.03 . 1 . . . . 7 ALA HB1 . 15599 1 65 . 1 1 7 7 ALA CA C 13 54.250 0.3 . 1 . . . . 7 ALA CA . 15599 1 66 . 1 1 7 7 ALA CB C 13 18.200 0.3 . 1 . . . . 7 ALA CB . 15599 1 67 . 1 1 7 7 ALA N N 15 120.474 0.3 . 1 . . . . 7 ALA N . 15599 1 68 . 1 1 8 8 LEU H H 1 7.394 0.03 . 1 . . . . 8 LEU HN . 15599 1 69 . 1 1 8 8 LEU HA H 1 4.180 0.03 . 1 . . . . 8 LEU HA . 15599 1 70 . 1 1 8 8 LEU HB2 H 1 1.687 0.03 . 2 . . . . 8 LEU HB1 . 15599 1 71 . 1 1 8 8 LEU HB3 H 1 1.754 0.03 . 2 . . . . 8 LEU HB2 . 15599 1 72 . 1 1 8 8 LEU HD11 H 1 0.968 0.03 . 2 . . . . 8 LEU HD11 . 15599 1 73 . 1 1 8 8 LEU HD12 H 1 0.968 0.03 . 2 . . . . 8 LEU HD11 . 15599 1 74 . 1 1 8 8 LEU HD13 H 1 0.968 0.03 . 2 . . . . 8 LEU HD11 . 15599 1 75 . 1 1 8 8 LEU HD21 H 1 0.813 0.03 . 2 . . . . 8 LEU HD21 . 15599 1 76 . 1 1 8 8 LEU HD22 H 1 0.813 0.03 . 2 . . . . 8 LEU HD21 . 15599 1 77 . 1 1 8 8 LEU HD23 H 1 0.813 0.03 . 2 . . . . 8 LEU HD21 . 15599 1 78 . 1 1 8 8 LEU HG H 1 1.601 0.03 . 1 . . . . 8 LEU HG . 15599 1 79 . 1 1 8 8 LEU CA C 13 54.673 0.3 . 1 . . . . 8 LEU CA . 15599 1 80 . 1 1 8 8 LEU CB C 13 41.800 0.3 . 1 . . . . 8 LEU CB . 15599 1 81 . 1 1 8 8 LEU CD1 C 13 25.540 0.3 . 1 . . . . 8 LEU CD1 . 15599 1 82 . 1 1 8 8 LEU CD2 C 13 22.420 0.3 . 1 . . . . 8 LEU CD2 . 15599 1 83 . 1 1 8 8 LEU CG C 13 27.144 0.3 . 1 . . . . 8 LEU CG . 15599 1 84 . 1 1 8 8 LEU N N 15 116.038 0.3 . 1 . . . . 8 LEU N . 15599 1 85 . 1 1 9 9 ILE H H 1 7.403 0.03 . 1 . . . . 9 ILE HN . 15599 1 86 . 1 1 9 9 ILE HA H 1 4.285 0.03 . 1 . . . . 9 ILE HA . 15599 1 87 . 1 1 9 9 ILE HB H 1 1.810 0.03 . 1 . . . . 9 ILE HB . 15599 1 88 . 1 1 9 9 ILE HD11 H 1 0.838 0.03 . 1 . . . . 9 ILE HD11 . 15599 1 89 . 1 1 9 9 ILE HD12 H 1 0.838 0.03 . 1 . . . . 9 ILE HD11 . 15599 1 90 . 1 1 9 9 ILE HD13 H 1 0.838 0.03 . 1 . . . . 9 ILE HD11 . 15599 1 91 . 1 1 9 9 ILE HG12 H 1 1.051 0.03 . 1 . . . . 9 ILE HG11 . 15599 1 92 . 1 1 9 9 ILE HG13 H 1 1.537 0.03 . 1 . . . . 9 ILE HG12 . 15599 1 93 . 1 1 9 9 ILE HG21 H 1 0.781 0.03 . 1 . . . . 9 ILE HG21 . 15599 1 94 . 1 1 9 9 ILE HG22 H 1 0.781 0.03 . 1 . . . . 9 ILE HG21 . 15599 1 95 . 1 1 9 9 ILE HG23 H 1 0.781 0.03 . 1 . . . . 9 ILE HG21 . 15599 1 96 . 1 1 9 9 ILE CA C 13 58.230 0.3 . 1 . . . . 9 ILE CA . 15599 1 97 . 1 1 9 9 ILE CB C 13 39.460 0.3 . 1 . . . . 9 ILE CB . 15599 1 98 . 1 1 9 9 ILE CD1 C 13 14.55 0.3 . 1 . . . . 9 ILE CD1 . 15599 1 99 . 1 1 9 9 ILE CG1 C 13 27.119 0.3 . 1 . . . . 9 ILE CG1 . 15599 1 100 . 1 1 9 9 ILE CG2 C 13 17.090 0.3 . 1 . . . . 9 ILE CG2 . 15599 1 101 . 1 1 9 9 ILE N N 15 123.310 0.3 . 1 . . . . 9 ILE N . 15599 1 102 . 1 1 10 10 PRO HA H 1 4.399 0.03 . 1 . . . . 10 PRO HA . 15599 1 103 . 1 1 10 10 PRO HB2 H 1 2.380 0.03 . 2 . . . . 10 PRO HB1 . 15599 1 104 . 1 1 10 10 PRO HB3 H 1 1.698 0.03 . 2 . . . . 10 PRO HB2 . 15599 1 105 . 1 1 10 10 PRO HD2 H 1 4.110 0.03 . 2 . . . . 10 PRO HD1 . 15599 1 106 . 1 1 10 10 PRO HD3 H 1 3.580 0.03 . 2 . . . . 10 PRO HD2 . 15599 1 107 . 1 1 10 10 PRO HG2 H 1 2.053 0.03 . 2 . . . . 10 PRO HG2 . 15599 1 108 . 1 1 10 10 PRO CA C 13 62.900 0.3 . 1 . . . . 10 PRO CA . 15599 1 109 . 1 1 10 10 PRO CB C 13 32.315 0.3 . 1 . . . . 10 PRO CB . 15599 1 110 . 1 1 10 10 PRO CD C 13 51.110 0.3 . 1 . . . . 10 PRO CD . 15599 1 111 . 1 1 10 10 PRO CG C 13 27.568 0.3 . 1 . . . . 10 PRO CG . 15599 1 112 . 1 1 11 11 ASP H H 1 8.932 0.03 . 1 . . . . 11 ASP HN . 15599 1 113 . 1 1 11 11 ASP HA H 1 4.478 0.03 . 1 . . . . 11 ASP HA . 15599 1 114 . 1 1 11 11 ASP HB2 H 1 2.556 0.03 . 2 . . . . 11 ASP HB1 . 15599 1 115 . 1 1 11 11 ASP HB3 H 1 2.860 0.03 . 2 . . . . 11 ASP HB2 . 15599 1 116 . 1 1 11 11 ASP CA C 13 57.930 0.3 . 1 . . . . 11 ASP CA . 15599 1 117 . 1 1 11 11 ASP CB C 13 41.310 0.3 . 1 . . . . 11 ASP CB . 15599 1 118 . 1 1 11 11 ASP N N 15 127.039 0.3 . 1 . . . . 11 ASP N . 15599 1 119 . 1 1 12 12 VAL H H 1 8.406 0.03 . 1 . . . . 12 VAL HN . 15599 1 120 . 1 1 12 12 VAL HA H 1 4.413 0.03 . 1 . . . . 12 VAL HA . 15599 1 121 . 1 1 12 12 VAL HB H 1 1.876 0.03 . 1 . . . . 12 VAL HB . 15599 1 122 . 1 1 12 12 VAL HG11 H 1 0.690 0.03 . 2 . . . . 12 VAL HG11 . 15599 1 123 . 1 1 12 12 VAL HG12 H 1 0.690 0.03 . 2 . . . . 12 VAL HG11 . 15599 1 124 . 1 1 12 12 VAL HG13 H 1 0.690 0.03 . 2 . . . . 12 VAL HG11 . 15599 1 125 . 1 1 12 12 VAL HG21 H 1 0.892 0.03 . 2 . . . . 12 VAL HG21 . 15599 1 126 . 1 1 12 12 VAL HG22 H 1 0.892 0.03 . 2 . . . . 12 VAL HG21 . 15599 1 127 . 1 1 12 12 VAL HG23 H 1 0.892 0.03 . 2 . . . . 12 VAL HG21 . 15599 1 128 . 1 1 12 12 VAL CA C 13 61.180 0.3 . 1 . . . . 12 VAL CA . 15599 1 129 . 1 1 12 12 VAL CB C 13 36.008 0.3 . 1 . . . . 12 VAL CB . 15599 1 130 . 1 1 12 12 VAL CG1 C 13 22.660 0.3 . 1 . . . . 12 VAL CG1 . 15599 1 131 . 1 1 12 12 VAL CG2 C 13 23.337 0.3 . 1 . . . . 12 VAL CG2 . 15599 1 132 . 1 1 12 12 VAL N N 15 117.300 0.3 . 1 . . . . 12 VAL N . 15599 1 133 . 1 1 13 13 ASP H H 1 7.516 0.03 . 1 . . . . 13 ASP HN . 15599 1 134 . 1 1 13 13 ASP HA H 1 4.891 0.03 . 1 . . . . 13 ASP HA . 15599 1 135 . 1 1 13 13 ASP HB2 H 1 2.322 0.03 . 2 . . . . 13 ASP HB1 . 15599 1 136 . 1 1 13 13 ASP HB3 H 1 2.721 0.03 . 2 . . . . 13 ASP HB2 . 15599 1 137 . 1 1 13 13 ASP CA C 13 55.676 0.3 . 1 . . . . 13 ASP CA . 15599 1 138 . 1 1 13 13 ASP CB C 13 42.125 0.3 . 1 . . . . 13 ASP CB . 15599 1 139 . 1 1 13 13 ASP N N 15 126.860 0.3 . 1 . . . . 13 ASP N . 15599 1 140 . 1 1 14 14 ILE H H 1 8.406 0.03 . 1 . . . . 14 ILE HN . 15599 1 141 . 1 1 14 14 ILE HA H 1 5.408 0.03 . 1 . . . . 14 ILE HA . 15599 1 142 . 1 1 14 14 ILE HB H 1 2.026 0.03 . 1 . . . . 14 ILE HB . 15599 1 143 . 1 1 14 14 ILE HD11 H 1 0.553 0.03 . 1 . . . . 14 ILE HD11 . 15599 1 144 . 1 1 14 14 ILE HD12 H 1 0.553 0.03 . 1 . . . . 14 ILE HD11 . 15599 1 145 . 1 1 14 14 ILE HD13 H 1 0.553 0.03 . 1 . . . . 14 ILE HD11 . 15599 1 146 . 1 1 14 14 ILE HG12 H 1 0.926 0.03 . 1 . . . . 14 ILE HG11 . 15599 1 147 . 1 1 14 14 ILE HG13 H 1 1.694 0.03 . 1 . . . . 14 ILE HG12 . 15599 1 148 . 1 1 14 14 ILE HG21 H 1 0.667 0.03 . 1 . . . . 14 ILE HG21 . 15599 1 149 . 1 1 14 14 ILE HG22 H 1 0.667 0.03 . 1 . . . . 14 ILE HG21 . 15599 1 150 . 1 1 14 14 ILE HG23 H 1 0.667 0.03 . 1 . . . . 14 ILE HG21 . 15599 1 151 . 1 1 14 14 ILE CA C 13 57.400 0.3 . 1 . . . . 14 ILE CA . 15599 1 152 . 1 1 14 14 ILE CB C 13 43.000 0.3 . 1 . . . . 14 ILE CB . 15599 1 153 . 1 1 14 14 ILE CD1 C 13 13.81 0.3 . 1 . . . . 14 ILE CD1 . 15599 1 154 . 1 1 14 14 ILE CG1 C 13 24.700 0.3 . 1 . . . . 14 ILE CG1 . 15599 1 155 . 1 1 14 14 ILE CG2 C 13 17.870 0.3 . 1 . . . . 14 ILE CG2 . 15599 1 156 . 1 1 14 14 ILE N N 15 117.100 0.3 . 1 . . . . 14 ILE N . 15599 1 157 . 1 1 19 19 VAL H H 1 8.354 0.03 . 1 . . . . 19 VAL HN . 15599 1 158 . 1 1 19 19 VAL HA H 1 5.242 0.03 . 1 . . . . 19 VAL HA . 15599 1 159 . 1 1 19 19 VAL HB H 1 1.932 0.03 . 1 . . . . 19 VAL HB . 15599 1 160 . 1 1 19 19 VAL HG11 H 1 0.858 0.03 . 2 . . . . 19 VAL HG11 . 15599 1 161 . 1 1 19 19 VAL HG12 H 1 0.858 0.03 . 2 . . . . 19 VAL HG11 . 15599 1 162 . 1 1 19 19 VAL HG13 H 1 0.858 0.03 . 2 . . . . 19 VAL HG11 . 15599 1 163 . 1 1 19 19 VAL HG21 H 1 0.976 0.03 . 2 . . . . 19 VAL HG21 . 15599 1 164 . 1 1 19 19 VAL HG22 H 1 0.976 0.03 . 2 . . . . 19 VAL HG21 . 15599 1 165 . 1 1 19 19 VAL HG23 H 1 0.976 0.03 . 2 . . . . 19 VAL HG21 . 15599 1 166 . 1 1 19 19 VAL CA C 13 60.740 0.3 . 1 . . . . 19 VAL CA . 15599 1 167 . 1 1 19 19 VAL CB C 13 33.570 0.3 . 1 . . . . 19 VAL CB . 15599 1 168 . 1 1 19 19 VAL CG1 C 13 21.550 0.3 . 1 . . . . 19 VAL CG1 . 15599 1 169 . 1 1 19 19 VAL CG2 C 13 21.210 0.3 . 1 . . . . 19 VAL CG2 . 15599 1 170 . 1 1 19 19 VAL N N 15 120.474 0.3 . 1 . . . . 19 VAL N . 15599 1 171 . 1 1 20 20 PHE H H 1 8.244 0.03 . 1 . . . . 20 PHE HN . 15599 1 172 . 1 1 20 20 PHE HA H 1 5.088 0.03 . 1 . . . . 20 PHE HA . 15599 1 173 . 1 1 20 20 PHE HB2 H 1 2.790 0.03 . 2 . . . . 20 PHE HB1 . 15599 1 174 . 1 1 20 20 PHE HB3 H 1 3.081 0.03 . 2 . . . . 20 PHE HB2 . 15599 1 175 . 1 1 20 20 PHE CA C 13 54.300 0.3 . 1 . . . . 20 PHE CA . 15599 1 176 . 1 1 20 20 PHE CB C 13 40.100 0.3 . 1 . . . . 20 PHE CB . 15599 1 177 . 1 1 20 20 PHE N N 15 122.249 0.3 . 1 . . . . 20 PHE N . 15599 1 178 . 1 1 21 21 LYS H H 1 8.710 0.03 . 1 . . . . 21 LYS HN . 15599 1 179 . 1 1 21 21 LYS HA H 1 4.527 0.03 . 1 . . . . 21 LYS HA . 15599 1 180 . 1 1 21 21 LYS HB2 H 1 1.362 0.03 . 2 . . . . 21 LYS HB1 . 15599 1 181 . 1 1 21 21 LYS HB3 H 1 0.866 0.03 . 2 . . . . 21 LYS HB2 . 15599 1 182 . 1 1 21 21 LYS HD2 H 1 1.655 0.03 . 2 . . . . 21 LYS HD1 . 15599 1 183 . 1 1 21 21 LYS HD3 H 1 1.396 0.03 . 2 . . . . 21 LYS HD2 . 15599 1 184 . 1 1 21 21 LYS HE2 H 1 2.832 0.03 . 2 . . . . 21 LYS HE1 . 15599 1 185 . 1 1 21 21 LYS HE3 H 1 2.918 0.03 . 2 . . . . 21 LYS HE2 . 15599 1 186 . 1 1 21 21 LYS CA C 13 57.400 0.3 . 1 . . . . 21 LYS CA . 15599 1 187 . 1 1 21 21 LYS CB C 13 34.020 0.3 . 1 . . . . 21 LYS CB . 15599 1 188 . 1 1 21 21 LYS CD C 13 28.900 0.3 . 1 . . . . 21 LYS CD . 15599 1 189 . 1 1 21 21 LYS CE C 13 42.700 0.3 . 1 . . . . 21 LYS CE . 15599 1 190 . 1 1 21 21 LYS N N 15 120.470 0.3 . 1 . . . . 21 LYS N . 15599 1 191 . 1 1 22 22 TYR H H 1 8.289 0.03 . 1 . . . . 22 TYR HN . 15599 1 192 . 1 1 22 22 TYR HA H 1 5.630 0.03 . 1 . . . . 22 TYR HA . 15599 1 193 . 1 1 22 22 TYR HB2 H 1 2.270 0.03 . 2 . . . . 22 TYR HB1 . 15599 1 194 . 1 1 22 22 TYR HB3 H 1 3.110 0.03 . 2 . . . . 22 TYR HB2 . 15599 1 195 . 1 1 22 22 TYR HD1 H 1 6.780 0.03 . 3 . . . . 22 TYR HD1 . 15599 1 196 . 1 1 22 22 TYR HE1 H 1 7.534 0.03 . 3 . . . . 22 TYR HE1 . 15599 1 197 . 1 1 22 22 TYR CA C 13 54.684 0.3 . 1 . . . . 22 TYR CA . 15599 1 198 . 1 1 22 22 TYR CB C 13 44.991 0.3 . 1 . . . . 22 TYR CB . 15599 1 199 . 1 1 22 22 TYR CD1 C 13 131.740 0.3 . 3 . . . . 22 TYR CD1 . 15599 1 200 . 1 1 22 22 TYR CE1 C 13 117.997 0.3 . 3 . . . . 22 TYR CE1 . 15599 1 201 . 1 1 22 22 TYR N N 15 119.400 0.3 . 1 . . . . 22 TYR N . 15599 1 202 . 1 1 23 23 VAL H H 1 8.966 0.03 . 1 . . . . 23 VAL HN . 15599 1 203 . 1 1 23 23 VAL HA H 1 4.526 0.03 . 1 . . . . 23 VAL HA . 15599 1 204 . 1 1 23 23 VAL HB H 1 1.997 0.03 . 1 . . . . 23 VAL HB . 15599 1 205 . 1 1 23 23 VAL HG11 H 1 0.864 0.03 . 2 . . . . 23 VAL HG11 . 15599 1 206 . 1 1 23 23 VAL HG12 H 1 0.864 0.03 . 2 . . . . 23 VAL HG11 . 15599 1 207 . 1 1 23 23 VAL HG13 H 1 0.864 0.03 . 2 . . . . 23 VAL HG11 . 15599 1 208 . 1 1 23 23 VAL HG21 H 1 0.903 0.03 . 2 . . . . 23 VAL HG21 . 15599 1 209 . 1 1 23 23 VAL HG22 H 1 0.903 0.03 . 2 . . . . 23 VAL HG21 . 15599 1 210 . 1 1 23 23 VAL HG23 H 1 0.903 0.03 . 2 . . . . 23 VAL HG21 . 15599 1 211 . 1 1 23 23 VAL CA C 13 59.229 0.3 . 1 . . . . 23 VAL CA . 15599 1 212 . 1 1 23 23 VAL CB C 13 35.780 0.3 . 1 . . . . 23 VAL CB . 15599 1 213 . 1 1 23 23 VAL CG1 C 13 20.100 0.3 . 1 . . . . 23 VAL CG1 . 15599 1 214 . 1 1 23 23 VAL CG2 C 13 23.776 0.3 . 1 . . . . 23 VAL CG2 . 15599 1 215 . 1 1 23 23 VAL N N 15 113.732 0.3 . 1 . . . . 23 VAL N . 15599 1 216 . 1 1 24 24 LEU H H 1 7.948 0.03 . 1 . . . . 24 LEU HN . 15599 1 217 . 1 1 24 24 LEU HA H 1 5.204 0.03 . 1 . . . . 24 LEU HA . 15599 1 218 . 1 1 24 24 LEU HB2 H 1 1.017 0.03 . 2 . . . . 24 LEU HB1 . 15599 1 219 . 1 1 24 24 LEU HB3 H 1 1.549 0.03 . 2 . . . . 24 LEU HB2 . 15599 1 220 . 1 1 24 24 LEU HD11 H 1 0.790 0.03 . 2 . . . . 24 LEU HD11 . 15599 1 221 . 1 1 24 24 LEU HD12 H 1 0.790 0.03 . 2 . . . . 24 LEU HD11 . 15599 1 222 . 1 1 24 24 LEU HD13 H 1 0.790 0.03 . 2 . . . . 24 LEU HD11 . 15599 1 223 . 1 1 24 24 LEU HD21 H 1 0.857 0.03 . 2 . . . . 24 LEU HD21 . 15599 1 224 . 1 1 24 24 LEU HD22 H 1 0.857 0.03 . 2 . . . . 24 LEU HD21 . 15599 1 225 . 1 1 24 24 LEU HD23 H 1 0.857 0.03 . 2 . . . . 24 LEU HD21 . 15599 1 226 . 1 1 24 24 LEU HG H 1 1.286 0.03 . 1 . . . . 24 LEU HG . 15599 1 227 . 1 1 24 24 LEU CA C 13 52.940 0.3 . 1 . . . . 24 LEU CA . 15599 1 228 . 1 1 24 24 LEU CB C 13 45.147 0.3 . 1 . . . . 24 LEU CB . 15599 1 229 . 1 1 24 24 LEU CD1 C 13 26.000 0.3 . 1 . . . . 24 LEU CD1 . 15599 1 230 . 1 1 24 24 LEU CD2 C 13 22.708 0.3 . 1 . . . . 24 LEU CD2 . 15599 1 231 . 1 1 24 24 LEU CG C 13 27.876 0.3 . 1 . . . . 24 LEU CG . 15599 1 232 . 1 1 24 24 LEU N N 15 125.970 0.3 . 1 . . . . 24 LEU N . 15599 1 233 . 1 1 25 25 ILE H H 1 9.175 0.03 . 1 . . . . 25 ILE HN . 15599 1 234 . 1 1 25 25 ILE HA H 1 4.745 0.03 . 1 . . . . 25 ILE HA . 15599 1 235 . 1 1 25 25 ILE HB H 1 1.621 0.03 . 1 . . . . 25 ILE HB . 15599 1 236 . 1 1 25 25 ILE HD11 H 1 0.852 0.03 . 1 . . . . 25 ILE HD11 . 15599 1 237 . 1 1 25 25 ILE HD12 H 1 0.852 0.03 . 1 . . . . 25 ILE HD11 . 15599 1 238 . 1 1 25 25 ILE HD13 H 1 0.852 0.03 . 1 . . . . 25 ILE HD11 . 15599 1 239 . 1 1 25 25 ILE HG12 H 1 0.971 0.03 . 1 . . . . 25 ILE HG11 . 15599 1 240 . 1 1 25 25 ILE HG13 H 1 1.627 0.03 . 1 . . . . 25 ILE HG12 . 15599 1 241 . 1 1 25 25 ILE HG21 H 1 0.913 0.03 . 1 . . . . 25 ILE HG21 . 15599 1 242 . 1 1 25 25 ILE HG22 H 1 0.913 0.03 . 1 . . . . 25 ILE HG21 . 15599 1 243 . 1 1 25 25 ILE HG23 H 1 0.913 0.03 . 1 . . . . 25 ILE HG21 . 15599 1 244 . 1 1 25 25 ILE CA C 13 59.674 0.3 . 1 . . . . 25 ILE CA . 15599 1 245 . 1 1 25 25 ILE CB C 13 43.180 0.3 . 1 . . . . 25 ILE CB . 15599 1 246 . 1 1 25 25 ILE CD1 C 13 15.42 0.3 . 1 . . . . 25 ILE CD1 . 15599 1 247 . 1 1 25 25 ILE CG1 C 13 28.062 0.3 . 1 . . . . 25 ILE CG1 . 15599 1 248 . 1 1 25 25 ILE CG2 C 13 17.541 0.3 . 1 . . . . 25 ILE CG2 . 15599 1 249 . 1 1 25 25 ILE N N 15 127.740 0.3 . 1 . . . . 25 ILE N . 15599 1 250 . 1 1 26 26 ARG H H 1 9.278 0.03 . 1 . . . . 26 ARG HN . 15599 1 251 . 1 1 26 26 ARG HA H 1 5.053 0.03 . 1 . . . . 26 ARG HA . 15599 1 252 . 1 1 26 26 ARG HB2 H 1 1.690 0.03 . 2 . . . . 26 ARG HB1 . 15599 1 253 . 1 1 26 26 ARG HB3 H 1 1.877 0.03 . 2 . . . . 26 ARG HB2 . 15599 1 254 . 1 1 26 26 ARG HD2 H 1 3.134 0.03 . 2 . . . . 26 ARG HD1 . 15599 1 255 . 1 1 26 26 ARG HD3 H 1 3.184 0.03 . 2 . . . . 26 ARG HD2 . 15599 1 256 . 1 1 26 26 ARG HE H 1 7.600 0.03 . 1 . . . . 26 ARG HE . 15599 1 257 . 1 1 26 26 ARG HG2 H 1 0.890 0.03 . 2 . . . . 26 ARG HG1 . 15599 1 258 . 1 1 26 26 ARG HG3 H 1 1.280 0.03 . 2 . . . . 26 ARG HG2 . 15599 1 259 . 1 1 26 26 ARG CA C 13 55.319 0.3 . 1 . . . . 26 ARG CA . 15599 1 260 . 1 1 26 26 ARG CB C 13 32.100 0.3 . 1 . . . . 26 ARG CB . 15599 1 261 . 1 1 26 26 ARG CD C 13 43.379 0.3 . 1 . . . . 26 ARG CD . 15599 1 262 . 1 1 26 26 ARG CG C 13 27.600 0.3 . 1 . . . . 26 ARG CG . 15599 1 263 . 1 1 26 26 ARG N N 15 128.281 0.3 . 1 . . . . 26 ARG N . 15599 1 264 . 1 1 26 26 ARG NE N 15 98.1 0.3 . 1 . . . . 26 ARG NE . 15599 1 265 . 1 1 27 27 VAL H H 1 9.214 0.03 . 1 . . . . 27 VAL HN . 15599 1 266 . 1 1 27 27 VAL HA H 1 4.853 0.03 . 1 . . . . 27 VAL HA . 15599 1 267 . 1 1 27 27 VAL HB H 1 1.796 0.03 . 1 . . . . 27 VAL HB . 15599 1 268 . 1 1 27 27 VAL HG21 H 1 0.890 0.03 . 2 . . . . 27 VAL HG21 . 15599 1 269 . 1 1 27 27 VAL HG22 H 1 0.890 0.03 . 2 . . . . 27 VAL HG21 . 15599 1 270 . 1 1 27 27 VAL HG23 H 1 0.890 0.03 . 2 . . . . 27 VAL HG21 . 15599 1 271 . 1 1 27 27 VAL CA C 13 60.070 0.3 . 1 . . . . 27 VAL CA . 15599 1 272 . 1 1 27 27 VAL CB C 13 34.240 0.3 . 1 . . . . 27 VAL CB . 15599 1 273 . 1 1 27 27 VAL CG2 C 13 22.000 0.3 . 1 . . . . 27 VAL CG2 . 15599 1 274 . 1 1 27 27 VAL N N 15 127.570 0.3 . 1 . . . . 27 VAL N . 15599 1 275 . 1 1 28 28 HIS H H 1 8.858 0.03 . 1 . . . . 28 HIS HN . 15599 1 276 . 1 1 28 28 HIS HA H 1 5.062 0.03 . 1 . . . . 28 HIS HA . 15599 1 277 . 1 1 28 28 HIS HB2 H 1 3.041 0.03 . 2 . . . . 28 HIS HB1 . 15599 1 278 . 1 1 28 28 HIS HB3 H 1 3.170 0.03 . 2 . . . . 28 HIS HB2 . 15599 1 279 . 1 1 28 28 HIS HD2 H 1 6.746 0.03 . 1 . . . . 28 HIS HD2 . 15599 1 280 . 1 1 28 28 HIS HE1 H 1 7.892 0.03 . 1 . . . . 28 HIS HE1 . 15599 1 281 . 1 1 28 28 HIS CA C 13 54.673 0.3 . 1 . . . . 28 HIS CA . 15599 1 282 . 1 1 28 28 HIS CB C 13 33.200 0.3 . 1 . . . . 28 HIS CB . 15599 1 283 . 1 1 28 28 HIS CD2 C 13 119.810 0.3 . 1 . . . . 28 HIS CD2 . 15599 1 284 . 1 1 28 28 HIS CE1 C 13 137.529 0.3 . 1 . . . . 28 HIS CE1 . 15599 1 285 . 1 1 28 28 HIS N N 15 123.776 0.3 . 1 . . . . 28 HIS N . 15599 1 286 . 1 1 29 29 SER H H 1 8.687 0.03 . 1 . . . . 29 SER HN . 15599 1 287 . 1 1 29 29 SER HA H 1 4.550 0.03 . 1 . . . . 29 SER HA . 15599 1 288 . 1 1 29 29 SER HB2 H 1 3.810 0.03 . 2 . . . . 29 SER HB1 . 15599 1 289 . 1 1 29 29 SER HB3 H 1 4.081 0.03 . 2 . . . . 29 SER HB2 . 15599 1 290 . 1 1 29 29 SER CA C 13 58.369 0.3 . 1 . . . . 29 SER CA . 15599 1 291 . 1 1 29 29 SER CB C 13 64.280 0.3 . 1 . . . . 29 SER CB . 15599 1 292 . 1 1 29 29 SER N N 15 116.570 0.3 . 1 . . . . 29 SER N . 15599 1 293 . 1 1 30 30 ALA H H 1 8.341 0.03 . 1 . . . . 30 ALA HN . 15599 1 294 . 1 1 30 30 ALA HA H 1 4.748 0.03 . 1 . . . . 30 ALA HA . 15599 1 295 . 1 1 30 30 ALA HB1 H 1 1.408 0.03 . 1 . . . . 30 ALA HB1 . 15599 1 296 . 1 1 30 30 ALA HB2 H 1 1.408 0.03 . 1 . . . . 30 ALA HB1 . 15599 1 297 . 1 1 30 30 ALA HB3 H 1 1.408 0.03 . 1 . . . . 30 ALA HB1 . 15599 1 298 . 1 1 30 30 ALA CA C 13 50.700 0.3 . 1 . . . . 30 ALA CA . 15599 1 299 . 1 1 30 30 ALA CB C 13 18.700 0.3 . 1 . . . . 30 ALA CB . 15599 1 300 . 1 1 30 30 ALA N N 15 127.040 0.3 . 1 . . . . 30 ALA N . 15599 1 301 . 1 1 31 31 PRO HA H 1 4.415 0.03 . 1 . . . . 31 PRO HA . 15599 1 302 . 1 1 31 31 PRO HB2 H 1 1.936 0.03 . 2 . . . . 31 PRO HB1 . 15599 1 303 . 1 1 31 31 PRO HB3 H 1 2.250 0.03 . 2 . . . . 31 PRO HB2 . 15599 1 304 . 1 1 31 31 PRO HD2 H 1 3.726 0.03 . 2 . . . . 31 PRO HD1 . 15599 1 305 . 1 1 31 31 PRO HD3 H 1 3.909 0.03 . 2 . . . . 31 PRO HD2 . 15599 1 306 . 1 1 31 31 PRO HG2 H 1 1.995 0.03 . 2 . . . . 31 PRO HG1 . 15599 1 307 . 1 1 31 31 PRO HG3 H 1 2.080 0.03 . 2 . . . . 31 PRO HG2 . 15599 1 308 . 1 1 31 31 PRO CA C 13 63.500 0.3 . 1 . . . . 31 PRO CA . 15599 1 309 . 1 1 31 31 PRO CB C 13 32.100 0.3 . 1 . . . . 31 PRO CB . 15599 1 310 . 1 1 31 31 PRO CD C 13 50.600 0.3 . 1 . . . . 31 PRO CD . 15599 1 311 . 1 1 31 31 PRO CG C 13 27.800 0.3 . 1 . . . . 31 PRO CG . 15599 1 312 . 1 1 32 32 ARG HA H 1 4.550 0.03 . 1 . . . . 32 ARG HA . 15599 1 313 . 1 1 32 32 ARG HB2 H 1 1.760 0.03 . 2 . . . . 32 ARG HB1 . 15599 1 314 . 1 1 32 32 ARG HB3 H 1 1.920 0.03 . 2 . . . . 32 ARG HB2 . 15599 1 315 . 1 1 32 32 ARG HD2 H 1 3.210 0.03 . 2 . . . . 32 ARG HD2 . 15599 1 316 . 1 1 32 32 ARG HG2 H 1 1.655 0.03 . 2 . . . . 32 ARG HG2 . 15599 1 317 . 1 1 32 32 ARG CA C 13 55.120 0.3 . 1 . . . . 32 ARG CA . 15599 1 318 . 1 1 32 32 ARG CB C 13 32.100 0.3 . 1 . . . . 32 ARG CB . 15599 1 319 . 1 1 32 32 ARG CD C 13 43.500 0.3 . 1 . . . . 32 ARG CD . 15599 1 320 . 1 1 32 32 ARG CG C 13 26.990 0.3 . 1 . . . . 32 ARG CG . 15599 1 321 . 1 1 33 33 SER H H 1 9.205 0.03 . 1 . . . . 33 SER HN . 15599 1 322 . 1 1 33 33 SER HA H 1 4.325 0.03 . 1 . . . . 33 SER HA . 15599 1 323 . 1 1 33 33 SER HB2 H 1 4.001 0.03 . 2 . . . . 33 SER HB1 . 15599 1 324 . 1 1 33 33 SER HB3 H 1 4.078 0.03 . 2 . . . . 33 SER HB2 . 15599 1 325 . 1 1 33 33 SER CA C 13 59.212 0.3 . 1 . . . . 33 SER CA . 15599 1 326 . 1 1 33 33 SER CB C 13 64.900 0.3 . 1 . . . . 33 SER CB . 15599 1 327 . 1 1 33 33 SER N N 15 119.580 0.3 . 1 . . . . 33 SER N . 15599 1 328 . 1 1 34 34 GLY HA2 H 1 3.825 0.03 . 2 . . . . 34 GLY HA1 . 15599 1 329 . 1 1 34 34 GLY HA3 H 1 4.071 0.03 . 2 . . . . 34 GLY HA2 . 15599 1 330 . 1 1 34 34 GLY CA C 13 45.360 0.3 . 1 . . . . 34 GLY CA . 15599 1 331 . 1 1 35 35 ALA H H 1 7.839 0.03 . 1 . . . . 35 ALA HN . 15599 1 332 . 1 1 35 35 ALA HA H 1 4.707 0.03 . 1 . . . . 35 ALA HA . 15599 1 333 . 1 1 35 35 ALA HB1 H 1 1.372 0.03 . 1 . . . . 35 ALA HB1 . 15599 1 334 . 1 1 35 35 ALA HB2 H 1 1.372 0.03 . 1 . . . . 35 ALA HB1 . 15599 1 335 . 1 1 35 35 ALA HB3 H 1 1.372 0.03 . 1 . . . . 35 ALA HB1 . 15599 1 336 . 1 1 35 35 ALA CA C 13 50.500 0.3 . 1 . . . . 35 ALA CA . 15599 1 337 . 1 1 35 35 ALA CB C 13 18.880 0.3 . 1 . . . . 35 ALA CB . 15599 1 338 . 1 1 35 35 ALA N N 15 124.730 0.3 . 1 . . . . 35 ALA N . 15599 1 339 . 1 1 36 36 PRO HA H 1 4.410 0.03 . 1 . . . . 36 PRO HA . 15599 1 340 . 1 1 36 36 PRO HB2 H 1 1.928 0.03 . 2 . . . . 36 PRO HB1 . 15599 1 341 . 1 1 36 36 PRO HB3 H 1 2.280 0.03 . 2 . . . . 36 PRO HB2 . 15599 1 342 . 1 1 36 36 PRO HD2 H 1 3.702 0.03 . 2 . . . . 36 PRO HD1 . 15599 1 343 . 1 1 36 36 PRO HD3 H 1 3.900 0.03 . 2 . . . . 36 PRO HD2 . 15599 1 344 . 1 1 36 36 PRO HG2 H 1 2.080 0.03 . 2 . . . . 36 PRO HG1 . 15599 1 345 . 1 1 36 36 PRO HG3 H 1 2.020 0.03 . 2 . . . . 36 PRO HG2 . 15599 1 346 . 1 1 36 36 PRO CA C 13 63.600 0.3 . 1 . . . . 36 PRO CA . 15599 1 347 . 1 1 36 36 PRO CB C 13 32.087 0.3 . 1 . . . . 36 PRO CB . 15599 1 348 . 1 1 36 36 PRO CD C 13 50.492 0.3 . 1 . . . . 36 PRO CD . 15599 1 349 . 1 1 36 36 PRO CG C 13 27.355 0.3 . 1 . . . . 36 PRO CG . 15599 1 350 . 1 1 37 37 ALA H H 1 8.106 0.03 . 1 . . . . 37 ALA HN . 15599 1 351 . 1 1 37 37 ALA HA H 1 4.355 0.03 . 1 . . . . 37 ALA HA . 15599 1 352 . 1 1 37 37 ALA HB1 H 1 1.392 0.03 . 1 . . . . 37 ALA HB1 . 15599 1 353 . 1 1 37 37 ALA HB2 H 1 1.392 0.03 . 1 . . . . 37 ALA HB1 . 15599 1 354 . 1 1 37 37 ALA HB3 H 1 1.392 0.03 . 1 . . . . 37 ALA HB1 . 15599 1 355 . 1 1 37 37 ALA CA C 13 51.983 0.3 . 1 . . . . 37 ALA CA . 15599 1 356 . 1 1 37 37 ALA CB C 13 19.980 0.3 . 1 . . . . 37 ALA CB . 15599 1 357 . 1 1 37 37 ALA N N 15 122.950 0.3 . 1 . . . . 37 ALA N . 15599 1 358 . 1 1 38 38 ALA H H 1 8.293 0.03 . 1 . . . . 38 ALA HN . 15599 1 359 . 1 1 38 38 ALA HA H 1 4.336 0.03 . 1 . . . . 38 ALA HA . 15599 1 360 . 1 1 38 38 ALA HB1 H 1 1.445 0.03 . 1 . . . . 38 ALA HB1 . 15599 1 361 . 1 1 38 38 ALA HB2 H 1 1.445 0.03 . 1 . . . . 38 ALA HB1 . 15599 1 362 . 1 1 38 38 ALA HB3 H 1 1.445 0.03 . 1 . . . . 38 ALA HB1 . 15599 1 363 . 1 1 38 38 ALA CA C 13 52.517 0.3 . 1 . . . . 38 ALA CA . 15599 1 364 . 1 1 38 38 ALA CB C 13 20.057 0.3 . 1 . . . . 38 ALA CB . 15599 1 365 . 1 1 38 38 ALA N N 15 124.910 0.3 . 1 . . . . 38 ALA N . 15599 1 366 . 1 1 39 39 GLU H H 1 8.248 0.03 . 1 . . . . 39 GLU HN . 15599 1 367 . 1 1 39 39 GLU HA H 1 4.533 0.03 . 1 . . . . 39 GLU HA . 15599 1 368 . 1 1 39 39 GLU HB2 H 1 1.946 0.03 . 2 . . . . 39 GLU HB1 . 15599 1 369 . 1 1 39 39 GLU HB3 H 1 2.068 0.03 . 2 . . . . 39 GLU HB2 . 15599 1 370 . 1 1 39 39 GLU HG2 H 1 2.316 0.03 . 2 . . . . 39 GLU HG1 . 15599 1 371 . 1 1 39 39 GLU HG3 H 1 2.270 0.03 . 2 . . . . 39 GLU HG2 . 15599 1 372 . 1 1 39 39 GLU CA C 13 56.185 0.3 . 1 . . . . 39 GLU CA . 15599 1 373 . 1 1 39 39 GLU CB C 13 32.194 0.3 . 1 . . . . 39 GLU CB . 15599 1 374 . 1 1 39 39 GLU CG C 13 36.462 0.3 . 1 . . . . 39 GLU CG . 15599 1 375 . 1 1 39 39 GLU N N 15 121.180 0.3 . 1 . . . . 39 GLU N . 15599 1 376 . 1 1 40 40 SER H H 1 8.294 0.03 . 1 . . . . 40 SER HN . 15599 1 377 . 1 1 40 40 SER HA H 1 5.391 0.03 . 1 . . . . 40 SER HA . 15599 1 378 . 1 1 40 40 SER HB2 H 1 3.298 0.03 . 2 . . . . 40 SER HB1 . 15599 1 379 . 1 1 40 40 SER HB3 H 1 3.613 0.03 . 2 . . . . 40 SER HB2 . 15599 1 380 . 1 1 40 40 SER CA C 13 57.200 0.3 . 1 . . . . 40 SER CA . 15599 1 381 . 1 1 40 40 SER CB C 13 66.633 0.3 . 1 . . . . 40 SER CB . 15599 1 382 . 1 1 40 40 SER N N 15 116.040 0.3 . 1 . . . . 40 SER N . 15599 1 383 . 1 1 41 41 LYS H H 1 8.576 0.03 . 1 . . . . 41 LYS HN . 15599 1 384 . 1 1 41 41 LYS HA H 1 4.648 0.03 . 1 . . . . 41 LYS HA . 15599 1 385 . 1 1 41 41 LYS HB2 H 1 1.857 0.03 . 2 . . . . 41 LYS HB1 . 15599 1 386 . 1 1 41 41 LYS HB3 H 1 1.902 0.03 . 2 . . . . 41 LYS HB2 . 15599 1 387 . 1 1 41 41 LYS HD2 H 1 1.535 0.03 . 2 . . . . 41 LYS HD1 . 15599 1 388 . 1 1 41 41 LYS HD3 H 1 1.620 0.03 . 2 . . . . 41 LYS HD2 . 15599 1 389 . 1 1 41 41 LYS HE2 H 1 2.610 0.03 . 2 . . . . 41 LYS HE1 . 15599 1 390 . 1 1 41 41 LYS HE3 H 1 2.780 0.03 . 2 . . . . 41 LYS HE2 . 15599 1 391 . 1 1 41 41 LYS HG2 H 1 0.920 0.03 . 2 . . . . 41 LYS HG1 . 15599 1 392 . 1 1 41 41 LYS HG3 H 1 1.155 0.03 . 2 . . . . 41 LYS HG2 . 15599 1 393 . 1 1 41 41 LYS CA C 13 55.634 0.3 . 1 . . . . 41 LYS CA . 15599 1 394 . 1 1 41 41 LYS CB C 13 35.739 0.3 . 1 . . . . 41 LYS CB . 15599 1 395 . 1 1 41 41 LYS CD C 13 30.450 0.3 . 1 . . . . 41 LYS CD . 15599 1 396 . 1 1 41 41 LYS CE C 13 42.260 0.3 . 1 . . . . 41 LYS CE . 15599 1 397 . 1 1 41 41 LYS CG C 13 23.340 0.3 . 1 . . . . 41 LYS CG . 15599 1 398 . 1 1 41 41 LYS N N 15 117.300 0.3 . 1 . . . . 41 LYS N . 15599 1 399 . 1 1 42 42 GLU H H 1 8.161 0.03 . 1 . . . . 42 GLU HN . 15599 1 400 . 1 1 42 42 GLU HA H 1 5.437 0.03 . 1 . . . . 42 GLU HA . 15599 1 401 . 1 1 42 42 GLU HB2 H 1 1.564 0.03 . 2 . . . . 42 GLU HB1 . 15599 1 402 . 1 1 42 42 GLU HB3 H 1 1.927 0.03 . 2 . . . . 42 GLU HB2 . 15599 1 403 . 1 1 42 42 GLU HG2 H 1 1.917 0.03 . 2 . . . . 42 GLU HG1 . 15599 1 404 . 1 1 42 42 GLU HG3 H 1 2.110 0.03 . 2 . . . . 42 GLU HG2 . 15599 1 405 . 1 1 42 42 GLU CA C 13 55.947 0.3 . 1 . . . . 42 GLU CA . 15599 1 406 . 1 1 42 42 GLU CB C 13 30.330 0.3 . 1 . . . . 42 GLU CB . 15599 1 407 . 1 1 42 42 GLU CG C 13 37.752 0.3 . 1 . . . . 42 GLU CG . 15599 1 408 . 1 1 42 42 GLU N N 15 120.500 0.3 . 1 . . . . 42 GLU N . 15599 1 409 . 1 1 43 43 ILE H H 1 9.520 0.03 . 1 . . . . 43 ILE HN . 15599 1 410 . 1 1 43 43 ILE HA H 1 5.350 0.03 . 1 . . . . 43 ILE HA . 15599 1 411 . 1 1 43 43 ILE HB H 1 1.972 0.03 . 1 . . . . 43 ILE HB . 15599 1 412 . 1 1 43 43 ILE HD11 H 1 0.582 0.03 . 1 . . . . 43 ILE HD11 . 15599 1 413 . 1 1 43 43 ILE HD12 H 1 0.582 0.03 . 1 . . . . 43 ILE HD11 . 15599 1 414 . 1 1 43 43 ILE HD13 H 1 0.582 0.03 . 1 . . . . 43 ILE HD11 . 15599 1 415 . 1 1 43 43 ILE HG12 H 1 1.167 0.03 . 1 . . . . 43 ILE HG11 . 15599 1 416 . 1 1 43 43 ILE HG13 H 1 1.287 0.03 . 1 . . . . 43 ILE HG12 . 15599 1 417 . 1 1 43 43 ILE HG21 H 1 0.816 0.03 . 1 . . . . 43 ILE HG21 . 15599 1 418 . 1 1 43 43 ILE HG22 H 1 0.816 0.03 . 1 . . . . 43 ILE HG21 . 15599 1 419 . 1 1 43 43 ILE HG23 H 1 0.816 0.03 . 1 . . . . 43 ILE HG21 . 15599 1 420 . 1 1 43 43 ILE CA C 13 58.900 0.3 . 1 . . . . 43 ILE CA . 15599 1 421 . 1 1 43 43 ILE CB C 13 40.952 0.3 . 1 . . . . 43 ILE CB . 15599 1 422 . 1 1 43 43 ILE CD1 C 13 13.55 0.3 . 1 . . . . 43 ILE CD1 . 15599 1 423 . 1 1 43 43 ILE CG1 C 13 26.370 0.3 . 1 . . . . 43 ILE CG1 . 15599 1 424 . 1 1 43 43 ILE CG2 C 13 18.880 0.3 . 1 . . . . 43 ILE CG2 . 15599 1 425 . 1 1 43 43 ILE N N 15 114.080 0.3 . 1 . . . . 43 ILE N . 15599 1 426 . 1 1 44 44 VAL H H 1 8.945 0.03 . 1 . . . . 44 VAL HN . 15599 1 427 . 1 1 44 44 VAL HA H 1 4.705 0.03 . 1 . . . . 44 VAL HA . 15599 1 428 . 1 1 44 44 VAL HB H 1 1.940 0.03 . 1 . . . . 44 VAL HB . 15599 1 429 . 1 1 44 44 VAL HG11 H 1 0.709 0.03 . 2 . . . . 44 VAL HG11 . 15599 1 430 . 1 1 44 44 VAL HG12 H 1 0.709 0.03 . 2 . . . . 44 VAL HG11 . 15599 1 431 . 1 1 44 44 VAL HG13 H 1 0.709 0.03 . 2 . . . . 44 VAL HG11 . 15599 1 432 . 1 1 44 44 VAL HG21 H 1 0.985 0.03 . 2 . . . . 44 VAL HG21 . 15599 1 433 . 1 1 44 44 VAL HG22 H 1 0.985 0.03 . 2 . . . . 44 VAL HG21 . 15599 1 434 . 1 1 44 44 VAL HG23 H 1 0.985 0.03 . 2 . . . . 44 VAL HG21 . 15599 1 435 . 1 1 44 44 VAL CA C 13 61.600 0.3 . 1 . . . . 44 VAL CA . 15599 1 436 . 1 1 44 44 VAL CB C 13 34.974 0.3 . 1 . . . . 44 VAL CB . 15599 1 437 . 1 1 44 44 VAL CG1 C 13 21.200 0.3 . 1 . . . . 44 VAL CG1 . 15599 1 438 . 1 1 44 44 VAL CG2 C 13 21.760 0.3 . 1 . . . . 44 VAL CG2 . 15599 1 439 . 1 1 44 44 VAL N N 15 121.360 0.3 . 1 . . . . 44 VAL N . 15599 1 440 . 1 1 45 45 ARG H H 1 8.626 0.03 . 1 . . . . 45 ARG HN . 15599 1 441 . 1 1 45 45 ARG HA H 1 5.348 0.03 . 1 . . . . 45 ARG HA . 15599 1 442 . 1 1 45 45 ARG HB2 H 1 1.550 0.03 . 2 . . . . 45 ARG HB1 . 15599 1 443 . 1 1 45 45 ARG HB3 H 1 1.746 0.03 . 2 . . . . 45 ARG HB2 . 15599 1 444 . 1 1 45 45 ARG HD2 H 1 3.777 0.03 . 2 . . . . 45 ARG HD1 . 15599 1 445 . 1 1 45 45 ARG HD3 H 1 3.889 0.03 . 2 . . . . 45 ARG HD2 . 15599 1 446 . 1 1 45 45 ARG HE H 1 6.133 0.03 . 1 . . . . 45 ARG HE . 15599 1 447 . 1 1 45 45 ARG HG2 H 1 1.363 0.03 . 2 . . . . 45 ARG HG1 . 15599 1 448 . 1 1 45 45 ARG HG3 H 1 1.626 0.03 . 2 . . . . 45 ARG HG2 . 15599 1 449 . 1 1 45 45 ARG CA C 13 52.590 0.3 . 1 . . . . 45 ARG CA . 15599 1 450 . 1 1 45 45 ARG CB C 13 34.900 0.3 . 1 . . . . 45 ARG CB . 15599 1 451 . 1 1 45 45 ARG CD C 13 44.020 0.3 . 1 . . . . 45 ARG CD . 15599 1 452 . 1 1 45 45 ARG CG C 13 26.520 0.3 . 1 . . . . 45 ARG CG . 15599 1 453 . 1 1 45 45 ARG N N 15 129.890 0.3 . 1 . . . . 45 ARG N . 15599 1 454 . 1 1 45 45 ARG NE N 15 115.060 0.3 . 1 . . . . 45 ARG NE . 15599 1 455 . 1 1 46 46 GLY H H 1 7.155 0.03 . 1 . . . . 46 GLY HN . 15599 1 456 . 1 1 46 46 GLY HA2 H 1 3.770 0.03 . 2 . . . . 46 GLY HA1 . 15599 1 457 . 1 1 46 46 GLY HA3 H 1 4.550 0.03 . 2 . . . . 46 GLY HA2 . 15599 1 458 . 1 1 46 46 GLY CA C 13 49.087 0.3 . 1 . . . . 46 GLY CA . 15599 1 459 . 1 1 46 46 GLY N N 15 111.071 0.3 . 1 . . . . 46 GLY N . 15599 1 460 . 1 1 47 47 TYR H H 1 6.386 0.03 . 1 . . . . 47 TYR HN . 15599 1 461 . 1 1 47 47 TYR HA H 1 5.619 0.03 . 1 . . . . 47 TYR HA . 15599 1 462 . 1 1 47 47 TYR HD1 H 1 6.689 0.03 . 3 . . . . 47 TYR HD1 . 15599 1 463 . 1 1 47 47 TYR HE1 H 1 6.519 0.03 . 3 . . . . 47 TYR HE1 . 15599 1 464 . 1 1 47 47 TYR CA C 13 54.700 0.3 . 1 . . . . 47 TYR CA . 15599 1 465 . 1 1 47 47 TYR CB C 13 43.710 0.3 . 1 . . . . 47 TYR CB . 15599 1 466 . 1 1 47 47 TYR CD1 C 13 134.470 0.3 . 3 . . . . 47 TYR CD1 . 15599 1 467 . 1 1 47 47 TYR CE1 C 13 116.530 0.3 . 3 . . . . 47 TYR CE1 . 15599 1 468 . 1 1 47 47 TYR N N 15 117.300 0.3 . 1 . . . . 47 TYR N . 15599 1 469 . 1 1 48 48 LYS H H 1 10.280 0.03 . 1 . . . . 48 LYS HN . 15599 1 470 . 1 1 48 48 LYS HA H 1 4.484 0.03 . 1 . . . . 48 LYS HA . 15599 1 471 . 1 1 48 48 LYS CA C 13 55.080 0.3 . 1 . . . . 48 LYS CA . 15599 1 472 . 1 1 48 48 LYS N N 15 125.800 0.3 . 1 . . . . 48 LYS N . 15599 1 473 . 1 1 49 49 TRP HA H 1 4.420 0.03 . 1 . . . . 49 TRP HA . 15599 1 474 . 1 1 49 49 TRP HB2 H 1 3.210 0.03 . 2 . . . . 49 TRP HB1 . 15599 1 475 . 1 1 49 49 TRP HB3 H 1 3.580 0.03 . 2 . . . . 49 TRP HB2 . 15599 1 476 . 1 1 49 49 TRP HD1 H 1 7.499 0.03 . 1 . . . . 49 TRP HD1 . 15599 1 477 . 1 1 49 49 TRP HE1 H 1 9.476 0.03 . 1 . . . . 49 TRP HE1 . 15599 1 478 . 1 1 49 49 TRP HE3 H 1 7.381 0.03 . 1 . . . . 49 TRP HE3 . 15599 1 479 . 1 1 49 49 TRP HH2 H 1 7.034 0.03 . 1 . . . . 49 TRP HH2 . 15599 1 480 . 1 1 49 49 TRP HZ2 H 1 6.832 0.03 . 1 . . . . 49 TRP HZ2 . 15599 1 481 . 1 1 49 49 TRP HZ3 H 1 6.939 0.03 . 1 . . . . 49 TRP HZ3 . 15599 1 482 . 1 1 49 49 TRP CA C 13 56.339 0.3 . 1 . . . . 49 TRP CA . 15599 1 483 . 1 1 49 49 TRP CB C 13 28.995 0.3 . 1 . . . . 49 TRP CB . 15599 1 484 . 1 1 49 49 TRP CD1 C 13 130.254 0.3 . 1 . . . . 49 TRP CD1 . 15599 1 485 . 1 1 49 49 TRP CE3 C 13 121.632 0.3 . 1 . . . . 49 TRP CE3 . 15599 1 486 . 1 1 49 49 TRP CH2 C 13 123.766 0.3 . 1 . . . . 49 TRP CH2 . 15599 1 487 . 1 1 49 49 TRP CZ2 C 13 114.823 0.3 . 1 . . . . 49 TRP CZ2 . 15599 1 488 . 1 1 49 49 TRP CZ3 C 13 121.770 0.3 . 1 . . . . 49 TRP CZ3 . 15599 1 489 . 1 1 49 49 TRP NE1 N 15 108.560 0.3 . 1 . . . . 49 TRP NE1 . 15599 1 490 . 1 1 50 50 ALA H H 1 6.202 0.03 . 1 . . . . 50 ALA HN . 15599 1 491 . 1 1 50 50 ALA HA H 1 4.420 0.03 . 1 . . . . 50 ALA HA . 15599 1 492 . 1 1 50 50 ALA HB1 H 1 0.876 0.03 . 1 . . . . 50 ALA HB1 . 15599 1 493 . 1 1 50 50 ALA HB2 H 1 0.876 0.03 . 1 . . . . 50 ALA HB1 . 15599 1 494 . 1 1 50 50 ALA HB3 H 1 0.876 0.03 . 1 . . . . 50 ALA HB1 . 15599 1 495 . 1 1 50 50 ALA CA C 13 52.300 0.3 . 1 . . . . 50 ALA CA . 15599 1 496 . 1 1 50 50 ALA CB C 13 19.400 0.3 . 1 . . . . 50 ALA CB . 15599 1 497 . 1 1 50 50 ALA N N 15 123.130 0.3 . 1 . . . . 50 ALA N . 15599 1 498 . 1 1 51 51 GLU H H 1 9.056 0.03 . 1 . . . . 51 GLU HN . 15599 1 499 . 1 1 51 51 GLU HA H 1 4.050 0.03 . 1 . . . . 51 GLU HA . 15599 1 500 . 1 1 51 51 GLU HB2 H 1 1.765 0.03 . 2 . . . . 51 GLU HB1 . 15599 1 501 . 1 1 51 51 GLU HB3 H 1 2.020 0.03 . 2 . . . . 51 GLU HB2 . 15599 1 502 . 1 1 51 51 GLU HG2 H 1 2.040 0.03 . 2 . . . . 51 GLU HG1 . 15599 1 503 . 1 1 51 51 GLU HG3 H 1 1.864 0.03 . 2 . . . . 51 GLU HG2 . 15599 1 504 . 1 1 51 51 GLU CA C 13 58.202 0.3 . 1 . . . . 51 GLU CA . 15599 1 505 . 1 1 51 51 GLU CB C 13 30.700 0.3 . 1 . . . . 51 GLU CB . 15599 1 506 . 1 1 51 51 GLU CG C 13 36.223 0.3 . 1 . . . . 51 GLU CG . 15599 1 507 . 1 1 51 51 GLU N N 15 128.630 0.3 . 1 . . . . 51 GLU N . 15599 1 508 . 1 1 52 52 TYR H H 1 8.261 0.03 . 1 . . . . 52 TYR HN . 15599 1 509 . 1 1 52 52 TYR HA H 1 4.880 0.03 . 1 . . . . 52 TYR HA . 15599 1 510 . 1 1 52 52 TYR HB2 H 1 2.724 0.03 . 2 . . . . 52 TYR HB1 . 15599 1 511 . 1 1 52 52 TYR HB3 H 1 3.784 0.03 . 2 . . . . 52 TYR HB2 . 15599 1 512 . 1 1 52 52 TYR HD1 H 1 7.459 0.03 . 3 . . . . 52 TYR HD1 . 15599 1 513 . 1 1 52 52 TYR HE1 H 1 6.918 0.03 . 3 . . . . 52 TYR HE1 . 15599 1 514 . 1 1 52 52 TYR CA C 13 56.070 0.3 . 1 . . . . 52 TYR CA . 15599 1 515 . 1 1 52 52 TYR CB C 13 40.480 0.3 . 1 . . . . 52 TYR CB . 15599 1 516 . 1 1 52 52 TYR CD1 C 13 134.060 0.3 . 3 . . . . 52 TYR CD1 . 15599 1 517 . 1 1 52 52 TYR CE1 C 13 118.300 0.3 . 3 . . . . 52 TYR CE1 . 15599 1 518 . 1 1 52 52 TYR N N 15 116.390 0.3 . 1 . . . . 52 TYR N . 15599 1 519 . 1 1 53 53 HIS HA H 1 3.849 0.03 . 1 . . . . 53 HIS HA . 15599 1 520 . 1 1 53 53 HIS HB2 H 1 3.325 0.03 . 2 . . . . 53 HIS HB1 . 15599 1 521 . 1 1 53 53 HIS HB3 H 1 3.078 0.03 . 2 . . . . 53 HIS HB2 . 15599 1 522 . 1 1 53 53 HIS CA C 13 11.40 0.3 . 1 . . . . 53 HIS CA . 15599 1 523 . 1 1 53 53 HIS CB C 13 30.700 0.3 . 1 . . . . 53 HIS CB . 15599 1 524 . 1 1 54 54 ALA H H 1 9.497 0.03 . 1 . . . . 54 ALA HN . 15599 1 525 . 1 1 54 54 ALA HA H 1 4.870 0.03 . 1 . . . . 54 ALA HA . 15599 1 526 . 1 1 54 54 ALA HB1 H 1 1.554 0.03 . 1 . . . . 54 ALA HB1 . 15599 1 527 . 1 1 54 54 ALA HB2 H 1 1.554 0.03 . 1 . . . . 54 ALA HB1 . 15599 1 528 . 1 1 54 54 ALA HB3 H 1 1.554 0.03 . 1 . . . . 54 ALA HB1 . 15599 1 529 . 1 1 54 54 ALA CA C 13 55.200 0.3 . 1 . . . . 54 ALA CA . 15599 1 530 . 1 1 54 54 ALA CB C 13 19.100 0.3 . 1 . . . . 54 ALA CB . 15599 1 531 . 1 1 54 54 ALA N N 15 121.716 0.3 . 1 . . . . 54 ALA N . 15599 1 532 . 1 1 55 55 ASP H H 1 7.430 0.03 . 1 . . . . 55 ASP HN . 15599 1 533 . 1 1 55 55 ASP HA H 1 4.659 0.03 . 1 . . . . 55 ASP HA . 15599 1 534 . 1 1 55 55 ASP HB2 H 1 3.159 0.03 . 2 . . . . 55 ASP HB1 . 15599 1 535 . 1 1 55 55 ASP HB3 H 1 3.268 0.03 . 2 . . . . 55 ASP HB2 . 15599 1 536 . 1 1 55 55 ASP CA C 13 57.830 0.3 . 1 . . . . 55 ASP CA . 15599 1 537 . 1 1 55 55 ASP CB C 13 41.400 0.3 . 1 . . . . 55 ASP CB . 15599 1 538 . 1 1 55 55 ASP N N 15 116.300 0.3 . 1 . . . . 55 ASP N . 15599 1 539 . 1 1 56 56 ILE H H 1 7.310 0.03 . 1 . . . . 56 ILE HN . 15599 1 540 . 1 1 56 56 ILE HA H 1 3.890 0.03 . 1 . . . . 56 ILE HA . 15599 1 541 . 1 1 56 56 ILE HB H 1 2.028 0.03 . 1 . . . . 56 ILE HB . 15599 1 542 . 1 1 56 56 ILE HD11 H 1 0.868 0.03 . 1 . . . . 56 ILE HD11 . 15599 1 543 . 1 1 56 56 ILE HD12 H 1 0.868 0.03 . 1 . . . . 56 ILE HD11 . 15599 1 544 . 1 1 56 56 ILE HD13 H 1 0.868 0.03 . 1 . . . . 56 ILE HD11 . 15599 1 545 . 1 1 56 56 ILE HG12 H 1 0.407 0.03 . 1 . . . . 56 ILE HG11 . 15599 1 546 . 1 1 56 56 ILE HG13 H 1 1.665 0.03 . 1 . . . . 56 ILE HG12 . 15599 1 547 . 1 1 56 56 ILE HG21 H 1 0.940 0.03 . 1 . . . . 56 ILE HG21 . 15599 1 548 . 1 1 56 56 ILE HG22 H 1 0.940 0.03 . 1 . . . . 56 ILE HG21 . 15599 1 549 . 1 1 56 56 ILE HG23 H 1 0.940 0.03 . 1 . . . . 56 ILE HG21 . 15599 1 550 . 1 1 56 56 ILE CA C 13 65.200 0.3 . 1 . . . . 56 ILE CA . 15599 1 551 . 1 1 56 56 ILE CB C 13 39.010 0.3 . 1 . . . . 56 ILE CB . 15599 1 552 . 1 1 56 56 ILE CD1 C 13 17.95 0.3 . 1 . . . . 56 ILE CD1 . 15599 1 553 . 1 1 56 56 ILE CG1 C 13 28.900 0.3 . 1 . . . . 56 ILE CG1 . 15599 1 554 . 1 1 56 56 ILE CG2 C 13 19.300 0.3 . 1 . . . . 56 ILE CG2 . 15599 1 555 . 1 1 56 56 ILE N N 15 116.750 0.3 . 1 . . . . 56 ILE N . 15599 1 556 . 1 1 57 57 TYR H H 1 7.894 0.03 . 1 . . . . 57 TYR HN . 15599 1 557 . 1 1 57 57 TYR HA H 1 3.858 0.03 . 1 . . . . 57 TYR HA . 15599 1 558 . 1 1 57 57 TYR HB2 H 1 2.793 0.03 . 2 . . . . 57 TYR HB1 . 15599 1 559 . 1 1 57 57 TYR HB3 H 1 3.200 0.03 . 2 . . . . 57 TYR HB2 . 15599 1 560 . 1 1 57 57 TYR HD1 H 1 6.975 0.03 . 3 . . . . 57 TYR HD1 . 15599 1 561 . 1 1 57 57 TYR HE1 H 1 6.566 0.03 . 3 . . . . 57 TYR HE1 . 15599 1 562 . 1 1 57 57 TYR CA C 13 63.200 0.3 . 1 . . . . 57 TYR CA . 15599 1 563 . 1 1 57 57 TYR CB C 13 38.600 0.3 . 1 . . . . 57 TYR CB . 15599 1 564 . 1 1 57 57 TYR CD1 C 13 132.601 0.3 . 3 . . . . 57 TYR CD1 . 15599 1 565 . 1 1 57 57 TYR CE1 C 13 117.860 0.3 . 3 . . . . 57 TYR CE1 . 15599 1 566 . 1 1 57 57 TYR N N 15 119.055 0.3 . 1 . . . . 57 TYR N . 15599 1 567 . 1 1 58 58 ASP H H 1 9.485 0.03 . 1 . . . . 58 ASP HN . 15599 1 568 . 1 1 58 58 ASP HA H 1 4.165 0.03 . 1 . . . . 58 ASP HA . 15599 1 569 . 1 1 58 58 ASP HB2 H 1 2.649 0.03 . 2 . . . . 58 ASP HB1 . 15599 1 570 . 1 1 58 58 ASP HB3 H 1 2.895 0.03 . 2 . . . . 58 ASP HB2 . 15599 1 571 . 1 1 58 58 ASP CA C 13 58.200 0.3 . 1 . . . . 58 ASP CA . 15599 1 572 . 1 1 58 58 ASP CB C 13 40.200 0.3 . 1 . . . . 58 ASP CB . 15599 1 573 . 1 1 58 58 ASP N N 15 121.180 0.3 . 1 . . . . 58 ASP N . 15599 1 574 . 1 1 59 59 LYS H H 1 7.028 0.03 . 1 . . . . 59 LYS HN . 15599 1 575 . 1 1 59 59 LYS HA H 1 4.155 0.03 . 1 . . . . 59 LYS HA . 15599 1 576 . 1 1 59 59 LYS HB2 H 1 2.231 0.03 . 2 . . . . 59 LYS HB1 . 15599 1 577 . 1 1 59 59 LYS HB3 H 1 2.268 0.03 . 2 . . . . 59 LYS HB2 . 15599 1 578 . 1 1 59 59 LYS HD2 H 1 1.630 0.03 . 2 . . . . 59 LYS HD1 . 15599 1 579 . 1 1 59 59 LYS HD3 H 1 1.660 0.03 . 2 . . . . 59 LYS HD2 . 15599 1 580 . 1 1 59 59 LYS HE2 H 1 2.842 0.03 . 2 . . . . 59 LYS HE2 . 15599 1 581 . 1 1 59 59 LYS HG2 H 1 1.515 0.03 . 2 . . . . 59 LYS HG2 . 15599 1 582 . 1 1 59 59 LYS CA C 13 59.280 0.3 . 1 . . . . 59 LYS CA . 15599 1 583 . 1 1 59 59 LYS CB C 13 33.100 0.3 . 1 . . . . 59 LYS CB . 15599 1 584 . 1 1 59 59 LYS CD C 13 29.100 0.3 . 1 . . . . 59 LYS CD . 15599 1 585 . 1 1 59 59 LYS CE C 13 42.300 0.3 . 1 . . . . 59 LYS CE . 15599 1 586 . 1 1 59 59 LYS CG C 13 25.000 0.3 . 1 . . . . 59 LYS CG . 15599 1 587 . 1 1 59 59 LYS N N 15 120.830 0.3 . 1 . . . . 59 LYS N . 15599 1 588 . 1 1 60 60 VAL H H 1 8.457 0.03 . 1 . . . . 60 VAL HN . 15599 1 589 . 1 1 60 60 VAL HA H 1 3.860 0.03 . 1 . . . . 60 VAL HA . 15599 1 590 . 1 1 60 60 VAL HB H 1 1.887 0.03 . 1 . . . . 60 VAL HB . 15599 1 591 . 1 1 60 60 VAL HG11 H 1 0.956 0.03 . 2 . . . . 60 VAL HG11 . 15599 1 592 . 1 1 60 60 VAL HG12 H 1 0.956 0.03 . 2 . . . . 60 VAL HG11 . 15599 1 593 . 1 1 60 60 VAL HG13 H 1 0.956 0.03 . 2 . . . . 60 VAL HG11 . 15599 1 594 . 1 1 60 60 VAL HG21 H 1 1.213 0.03 . 2 . . . . 60 VAL HG21 . 15599 1 595 . 1 1 60 60 VAL HG22 H 1 1.213 0.03 . 2 . . . . 60 VAL HG21 . 15599 1 596 . 1 1 60 60 VAL HG23 H 1 1.213 0.03 . 2 . . . . 60 VAL HG21 . 15599 1 597 . 1 1 60 60 VAL CA C 13 65.900 0.3 . 1 . . . . 60 VAL CA . 15599 1 598 . 1 1 60 60 VAL CB C 13 32.200 0.3 . 1 . . . . 60 VAL CB . 15599 1 599 . 1 1 60 60 VAL CG1 C 13 21.800 0.3 . 1 . . . . 60 VAL CG1 . 15599 1 600 . 1 1 60 60 VAL CG2 C 13 22.400 0.3 . 1 . . . . 60 VAL CG2 . 15599 1 601 . 1 1 60 60 VAL N N 15 119.050 0.3 . 1 . . . . 60 VAL N . 15599 1 602 . 1 1 61 61 SER H H 1 8.824 0.03 . 1 . . . . 61 SER HN . 15599 1 603 . 1 1 61 61 SER HA H 1 4.186 0.03 . 1 . . . . 61 SER HA . 15599 1 604 . 1 1 61 61 SER HB2 H 1 3.248 0.03 . 2 . . . . 61 SER HB1 . 15599 1 605 . 1 1 61 61 SER HB3 H 1 3.424 0.03 . 2 . . . . 61 SER HB2 . 15599 1 606 . 1 1 61 61 SER CA C 13 62.000 0.3 . 1 . . . . 61 SER CA . 15599 1 607 . 1 1 61 61 SER CB C 13 62.170 0.3 . 1 . . . . 61 SER CB . 15599 1 608 . 1 1 61 61 SER N N 15 115.150 0.3 . 1 . . . . 61 SER N . 15599 1 609 . 1 1 62 62 GLY H H 1 7.650 0.03 . 1 . . . . 62 GLY HN . 15599 1 610 . 1 1 62 62 GLY HA2 H 1 3.900 0.03 . 2 . . . . 62 GLY HA1 . 15599 1 611 . 1 1 62 62 GLY HA3 H 1 4.010 0.03 . 2 . . . . 62 GLY HA2 . 15599 1 612 . 1 1 62 62 GLY CA C 13 47.421 0.3 . 1 . . . . 62 GLY CA . 15599 1 613 . 1 1 62 62 GLY N N 15 111.070 0.3 . 1 . . . . 62 GLY N . 15599 1 614 . 1 1 63 63 ASP H H 1 7.921 0.03 . 1 . . . . 63 ASP HN . 15599 1 615 . 1 1 63 63 ASP HA H 1 4.440 0.03 . 1 . . . . 63 ASP HA . 15599 1 616 . 1 1 63 63 ASP HB2 H 1 2.630 0.03 . 2 . . . . 63 ASP HB1 . 15599 1 617 . 1 1 63 63 ASP HB3 H 1 2.931 0.03 . 2 . . . . 63 ASP HB2 . 15599 1 618 . 1 1 63 63 ASP CA C 13 57.516 0.3 . 1 . . . . 63 ASP CA . 15599 1 619 . 1 1 63 63 ASP CB C 13 40.168 0.3 . 1 . . . . 63 ASP CB . 15599 1 620 . 1 1 63 63 ASP N N 15 123.850 0.3 . 1 . . . . 63 ASP N . 15599 1 621 . 1 1 64 64 MET H H 1 8.689 0.03 . 1 . . . . 64 MET HN . 15599 1 622 . 1 1 64 64 MET HA H 1 4.362 0.03 . 1 . . . . 64 MET HA . 15599 1 623 . 1 1 64 64 MET HB2 H 1 1.617 0.03 . 2 . . . . 64 MET HB1 . 15599 1 624 . 1 1 64 64 MET HB3 H 1 2.160 0.03 . 2 . . . . 64 MET HB2 . 15599 1 625 . 1 1 64 64 MET HE1 H 1 1.956 0.03 . 1 . . . . 64 MET HE1 . 15599 1 626 . 1 1 64 64 MET HE2 H 1 1.956 0.03 . 1 . . . . 64 MET HE1 . 15599 1 627 . 1 1 64 64 MET HE3 H 1 1.956 0.03 . 1 . . . . 64 MET HE1 . 15599 1 628 . 1 1 64 64 MET HG2 H 1 2.510 0.03 . 2 . . . . 64 MET HG1 . 15599 1 629 . 1 1 64 64 MET HG3 H 1 2.672 0.03 . 2 . . . . 64 MET HG2 . 15599 1 630 . 1 1 64 64 MET CA C 13 56.928 0.3 . 1 . . . . 64 MET CA . 15599 1 631 . 1 1 64 64 MET CB C 13 32.524 0.3 . 1 . . . . 64 MET CB . 15599 1 632 . 1 1 64 64 MET CE C 13 19.640 0.3 . 1 . . . . 64 MET CE . 15599 1 633 . 1 1 64 64 MET CG C 13 33.300 0.3 . 1 . . . . 64 MET CG . 15599 1 634 . 1 1 64 64 MET N N 15 119.580 0.3 . 1 . . . . 64 MET N . 15599 1 635 . 1 1 65 65 GLN H H 1 8.527 0.03 . 1 . . . . 65 GLN HN . 15599 1 636 . 1 1 65 65 GLN HA H 1 4.345 0.03 . 1 . . . . 65 GLN HA . 15599 1 637 . 1 1 65 65 GLN HB2 H 1 2.262 0.03 . 2 . . . . 65 GLN HB1 . 15599 1 638 . 1 1 65 65 GLN HB3 H 1 2.330 0.03 . 2 . . . . 65 GLN HB2 . 15599 1 639 . 1 1 65 65 GLN HE21 H 1 7.431 0.03 . 2 . . . . 65 GLN HE21 . 15599 1 640 . 1 1 65 65 GLN HE22 H 1 6.870 0.03 . 2 . . . . 65 GLN HE22 . 15599 1 641 . 1 1 65 65 GLN HG2 H 1 2.529 0.03 . 2 . . . . 65 GLN HG1 . 15599 1 642 . 1 1 65 65 GLN HG3 H 1 2.619 0.03 . 2 . . . . 65 GLN HG2 . 15599 1 643 . 1 1 65 65 GLN CA C 13 59.084 0.3 . 1 . . . . 65 GLN CA . 15599 1 644 . 1 1 65 65 GLN CB C 13 28.309 0.3 . 1 . . . . 65 GLN CB . 15599 1 645 . 1 1 65 65 GLN CG C 13 34.340 0.3 . 1 . . . . 65 GLN CG . 15599 1 646 . 1 1 65 65 GLN N N 15 123.140 0.3 . 1 . . . . 65 GLN N . 15599 1 647 . 1 1 65 65 GLN NE2 N 15 111.958 0.3 . 1 . . . . 65 GLN NE2 . 15599 1 648 . 1 1 66 66 LYS H H 1 7.497 0.03 . 1 . . . . 66 LYS HN . 15599 1 649 . 1 1 66 66 LYS HA H 1 4.168 0.03 . 1 . . . . 66 LYS HA . 15599 1 650 . 1 1 66 66 LYS HB2 H 1 2.018 0.03 . 2 . . . . 66 LYS HB2 . 15599 1 651 . 1 1 66 66 LYS HD2 H 1 1.747 0.03 . 2 . . . . 66 LYS HD2 . 15599 1 652 . 1 1 66 66 LYS HE2 H 1 3.020 0.03 . 2 . . . . 66 LYS HE2 . 15599 1 653 . 1 1 66 66 LYS HG2 H 1 1.567 0.03 . 2 . . . . 66 LYS HG1 . 15599 1 654 . 1 1 66 66 LYS HG3 H 1 1.749 0.03 . 2 . . . . 66 LYS HG2 . 15599 1 655 . 1 1 66 66 LYS CA C 13 58.790 0.3 . 1 . . . . 66 LYS CA . 15599 1 656 . 1 1 66 66 LYS CB C 13 32.426 0.3 . 1 . . . . 66 LYS CB . 15599 1 657 . 1 1 66 66 LYS CD C 13 29.362 0.3 . 1 . . . . 66 LYS CD . 15599 1 658 . 1 1 66 66 LYS CE C 13 42.300 0.3 . 1 . . . . 66 LYS CE . 15599 1 659 . 1 1 66 66 LYS CG C 13 25.547 0.3 . 1 . . . . 66 LYS CG . 15599 1 660 . 1 1 66 66 LYS N N 15 119.580 0.3 . 1 . . . . 66 LYS N . 15599 1 661 . 1 1 67 67 GLN H H 1 7.340 0.03 . 1 . . . . 67 GLN HN . 15599 1 662 . 1 1 67 67 GLN HA H 1 4.577 0.03 . 1 . . . . 67 GLN HA . 15599 1 663 . 1 1 67 67 GLN HB2 H 1 2.087 0.03 . 2 . . . . 67 GLN HB1 . 15599 1 664 . 1 1 67 67 GLN HB3 H 1 2.400 0.03 . 2 . . . . 67 GLN HB2 . 15599 1 665 . 1 1 67 67 GLN HE21 H 1 7.169 0.03 . 2 . . . . 67 GLN HE21 . 15599 1 666 . 1 1 67 67 GLN HE22 H 1 6.620 0.03 . 2 . . . . 67 GLN HE22 . 15599 1 667 . 1 1 67 67 GLN HG2 H 1 2.400 0.03 . 2 . . . . 67 GLN HG2 . 15599 1 668 . 1 1 67 67 GLN CA C 13 54.869 0.3 . 1 . . . . 67 GLN CA . 15599 1 669 . 1 1 67 67 GLN CB C 13 29.779 0.3 . 1 . . . . 67 GLN CB . 15599 1 670 . 1 1 67 67 GLN CG C 13 34.164 0.3 . 1 . . . . 67 GLN CG . 15599 1 671 . 1 1 67 67 GLN N N 15 116.039 0.3 . 1 . . . . 67 GLN N . 15599 1 672 . 1 1 67 67 GLN NE2 N 15 111.070 0.3 . 1 . . . . 67 GLN NE2 . 15599 1 673 . 1 1 68 68 GLY H H 1 7.770 0.03 . 1 . . . . 68 GLY HN . 15599 1 674 . 1 1 68 68 GLY HA2 H 1 3.839 0.03 . 2 . . . . 68 GLY HA1 . 15599 1 675 . 1 1 68 68 GLY HA3 H 1 4.190 0.03 . 2 . . . . 68 GLY HA2 . 15599 1 676 . 1 1 68 68 GLY CA C 13 46.049 0.3 . 1 . . . . 68 GLY CA . 15599 1 677 . 1 1 68 68 GLY N N 15 130.050 0.3 . 1 . . . . 68 GLY N . 15599 1 678 . 1 1 69 69 CYS H H 1 7.699 0.03 . 1 . . . . 69 CYS HN . 15599 1 679 . 1 1 69 69 CYS HA H 1 4.812 0.03 . 1 . . . . 69 CYS HA . 15599 1 680 . 1 1 69 69 CYS HB2 H 1 2.417 0.03 . 2 . . . . 69 CYS HB1 . 15599 1 681 . 1 1 69 69 CYS HB3 H 1 2.781 0.03 . 2 . . . . 69 CYS HB2 . 15599 1 682 . 1 1 69 69 CYS CA C 13 58.500 0.3 . 1 . . . . 69 CYS CA . 15599 1 683 . 1 1 69 69 CYS CB C 13 30.500 0.3 . 1 . . . . 69 CYS CB . 15599 1 684 . 1 1 69 69 CYS N N 15 106.61 0.3 . 1 . . . . 69 CYS N . 15599 1 685 . 1 1 70 70 ASP H H 1 8.347 0.03 . 1 . . . . 70 ASP HN . 15599 1 686 . 1 1 70 70 ASP HA H 1 4.937 0.03 . 1 . . . . 70 ASP HA . 15599 1 687 . 1 1 70 70 ASP HB2 H 1 2.417 0.03 . 2 . . . . 70 ASP HB1 . 15599 1 688 . 1 1 70 70 ASP HB3 H 1 2.630 0.03 . 2 . . . . 70 ASP HB2 . 15599 1 689 . 1 1 70 70 ASP CA C 13 53.399 0.3 . 1 . . . . 70 ASP CA . 15599 1 690 . 1 1 70 70 ASP CB C 13 43.800 0.3 . 1 . . . . 70 ASP CB . 15599 1 691 . 1 1 70 70 ASP N N 15 122.780 0.3 . 1 . . . . 70 ASP N . 15599 1 692 . 1 1 71 71 CYS H H 1 8.520 0.03 . 1 . . . . 71 CYS HN . 15599 1 693 . 1 1 71 71 CYS HA H 1 5.820 0.03 . 1 . . . . 71 CYS HA . 15599 1 694 . 1 1 71 71 CYS HB2 H 1 2.712 0.03 . 2 . . . . 71 CYS HB1 . 15599 1 695 . 1 1 71 71 CYS HB3 H 1 2.897 0.03 . 2 . . . . 71 CYS HB2 . 15599 1 696 . 1 1 71 71 CYS CA C 13 58.050 0.3 . 1 . . . . 71 CYS CA . 15599 1 697 . 1 1 71 71 CYS CB C 13 32.720 0.3 . 1 . . . . 71 CYS CB . 15599 1 698 . 1 1 71 71 CYS N N 15 116.920 0.3 . 1 . . . . 71 CYS N . 15599 1 699 . 1 1 72 72 GLU H H 1 8.893 0.03 . 1 . . . . 72 GLU HN . 15599 1 700 . 1 1 72 72 GLU HA H 1 4.750 0.03 . 1 . . . . 72 GLU HA . 15599 1 701 . 1 1 72 72 GLU HB2 H 1 1.930 0.03 . 2 . . . . 72 GLU HB1 . 15599 1 702 . 1 1 72 72 GLU HB3 H 1 2.071 0.03 . 2 . . . . 72 GLU HB2 . 15599 1 703 . 1 1 72 72 GLU HG2 H 1 2.191 0.03 . 2 . . . . 72 GLU HG1 . 15599 1 704 . 1 1 72 72 GLU HG3 H 1 2.236 0.03 . 2 . . . . 72 GLU HG2 . 15599 1 705 . 1 1 72 72 GLU CA C 13 55.065 0.3 . 1 . . . . 72 GLU CA . 15599 1 706 . 1 1 72 72 GLU CB C 13 34.010 0.3 . 1 . . . . 72 GLU CB . 15599 1 707 . 1 1 72 72 GLU CG C 13 36.689 0.3 . 1 . . . . 72 GLU CG . 15599 1 708 . 1 1 72 72 GLU N N 15 119.230 0.3 . 1 . . . . 72 GLU N . 15599 1 709 . 1 1 73 73 CYS H H 1 9.222 0.03 . 1 . . . . 73 CYS HN . 15599 1 710 . 1 1 73 73 CYS HA H 1 4.150 0.03 . 1 . . . . 73 CYS HA . 15599 1 711 . 1 1 73 73 CYS HB2 H 1 1.156 0.03 . 2 . . . . 73 CYS HB1 . 15599 1 712 . 1 1 73 73 CYS HB3 H 1 2.005 0.03 . 2 . . . . 73 CYS HB2 . 15599 1 713 . 1 1 73 73 CYS CA C 13 58.820 0.3 . 1 . . . . 73 CYS CA . 15599 1 714 . 1 1 73 73 CYS CB C 13 26.990 0.3 . 1 . . . . 73 CYS CB . 15599 1 715 . 1 1 73 73 CYS N N 15 125.970 0.3 . 1 . . . . 73 CYS N . 15599 1 716 . 1 1 74 74 LEU H H 1 9.097 0.03 . 1 . . . . 74 LEU HN . 15599 1 717 . 1 1 74 74 LEU HA H 1 4.543 0.03 . 1 . . . . 74 LEU HA . 15599 1 718 . 1 1 74 74 LEU HB2 H 1 1.328 0.03 . 2 . . . . 74 LEU HB1 . 15599 1 719 . 1 1 74 74 LEU HB3 H 1 1.681 0.03 . 2 . . . . 74 LEU HB2 . 15599 1 720 . 1 1 74 74 LEU HD11 H 1 0.779 0.03 . 2 . . . . 74 LEU HD11 . 15599 1 721 . 1 1 74 74 LEU HD12 H 1 0.779 0.03 . 2 . . . . 74 LEU HD11 . 15599 1 722 . 1 1 74 74 LEU HD13 H 1 0.779 0.03 . 2 . . . . 74 LEU HD11 . 15599 1 723 . 1 1 74 74 LEU HD21 H 1 0.682 0.03 . 2 . . . . 74 LEU HD21 . 15599 1 724 . 1 1 74 74 LEU HD22 H 1 0.682 0.03 . 2 . . . . 74 LEU HD21 . 15599 1 725 . 1 1 74 74 LEU HD23 H 1 0.682 0.03 . 2 . . . . 74 LEU HD21 . 15599 1 726 . 1 1 74 74 LEU HG H 1 1.498 0.03 . 1 . . . . 74 LEU HG . 15599 1 727 . 1 1 74 74 LEU CA C 13 54.281 0.3 . 1 . . . . 74 LEU CA . 15599 1 728 . 1 1 74 74 LEU CB C 13 41.100 0.3 . 1 . . . . 74 LEU CB . 15599 1 729 . 1 1 74 74 LEU CD1 C 13 25.793 0.3 . 1 . . . . 74 LEU CD1 . 15599 1 730 . 1 1 74 74 LEU CD2 C 13 21.560 0.3 . 1 . . . . 74 LEU CD2 . 15599 1 731 . 1 1 74 74 LEU CG C 13 26.770 0.3 . 1 . . . . 74 LEU CG . 15599 1 732 . 1 1 74 74 LEU N N 15 129.170 0.3 . 1 . . . . 74 LEU N . 15599 1 733 . 1 1 75 75 GLY H H 1 7.531 0.03 . 1 . . . . 75 GLY HN . 15599 1 734 . 1 1 75 75 GLY HA2 H 1 3.439 0.03 . 2 . . . . 75 GLY HA1 . 15599 1 735 . 1 1 75 75 GLY HA3 H 1 3.999 0.03 . 2 . . . . 75 GLY HA2 . 15599 1 736 . 1 1 75 75 GLY CA C 13 43.350 0.3 . 1 . . . . 75 GLY CA . 15599 1 737 . 1 1 75 75 GLY N N 15 105.73 0.3 . 1 . . . . 75 GLY N . 15599 1 738 . 1 1 76 76 GLY H H 1 8.043 0.03 . 1 . . . . 76 GLY HN . 15599 1 739 . 1 1 76 76 GLY HA2 H 1 3.408 0.03 . 2 . . . . 76 GLY HA1 . 15599 1 740 . 1 1 76 76 GLY HA3 H 1 4.195 0.03 . 2 . . . . 76 GLY HA2 . 15599 1 741 . 1 1 76 76 GLY CA C 13 45.150 0.3 . 1 . . . . 76 GLY CA . 15599 1 742 . 1 1 76 76 GLY N N 15 103.06 0.3 . 1 . . . . 76 GLY N . 15599 1 743 . 1 1 77 77 GLY H H 1 7.590 0.03 . 1 . . . . 77 GLY HN . 15599 1 744 . 1 1 77 77 GLY HA2 H 1 3.915 0.03 . 2 . . . . 77 GLY HA1 . 15599 1 745 . 1 1 77 77 GLY HA3 H 1 4.149 0.03 . 2 . . . . 77 GLY HA2 . 15599 1 746 . 1 1 77 77 GLY CA C 13 46.260 0.3 . 1 . . . . 77 GLY CA . 15599 1 747 . 1 1 77 77 GLY N N 15 104.91 0.3 . 1 . . . . 77 GLY N . 15599 1 748 . 1 1 78 78 ARG H H 1 9.884 0.03 . 1 . . . . 78 ARG HN . 15599 1 749 . 1 1 78 78 ARG HA H 1 4.940 0.03 . 1 . . . . 78 ARG HA . 15599 1 750 . 1 1 78 78 ARG HB2 H 1 0.515 0.03 . 2 . . . . 78 ARG HB1 . 15599 1 751 . 1 1 78 78 ARG HB3 H 1 0.760 0.03 . 2 . . . . 78 ARG HB2 . 15599 1 752 . 1 1 78 78 ARG HD2 H 1 2.754 0.03 . 2 . . . . 78 ARG HD1 . 15599 1 753 . 1 1 78 78 ARG HD3 H 1 2.902 0.03 . 2 . . . . 78 ARG HD2 . 15599 1 754 . 1 1 78 78 ARG HG2 H 1 1.260 0.03 . 2 . . . . 78 ARG HG1 . 15599 1 755 . 1 1 78 78 ARG HG3 H 1 1.390 0.03 . 2 . . . . 78 ARG HG2 . 15599 1 756 . 1 1 78 78 ARG CA C 13 54.400 0.3 . 1 . . . . 78 ARG CA . 15599 1 757 . 1 1 78 78 ARG CB C 13 34.600 0.3 . 1 . . . . 78 ARG CB . 15599 1 758 . 1 1 78 78 ARG CD C 13 43.600 0.3 . 1 . . . . 78 ARG CD . 15599 1 759 . 1 1 78 78 ARG CG C 13 28.010 0.3 . 1 . . . . 78 ARG CG . 15599 1 760 . 1 1 78 78 ARG N N 15 130.765 0.3 . 1 . . . . 78 ARG N . 15599 1 761 . 1 1 79 79 ILE H H 1 8.692 0.03 . 1 . . . . 79 ILE HN . 15599 1 762 . 1 1 79 79 ILE HA H 1 4.499 0.03 . 1 . . . . 79 ILE HA . 15599 1 763 . 1 1 79 79 ILE HB H 1 0.610 0.03 . 1 . . . . 79 ILE HB . 15599 1 764 . 1 1 79 79 ILE HD11 H 1 0.059 0.03 . 1 . . . . 79 ILE HD11 . 15599 1 765 . 1 1 79 79 ILE HD12 H 1 0.059 0.03 . 1 . . . . 79 ILE HD11 . 15599 1 766 . 1 1 79 79 ILE HD13 H 1 0.059 0.03 . 1 . . . . 79 ILE HD11 . 15599 1 767 . 1 1 79 79 ILE HG12 H 1 0.330 0.03 . 1 . . . . 79 ILE HG11 . 15599 1 768 . 1 1 79 79 ILE HG13 H 1 1.061 0.03 . 1 . . . . 79 ILE HG12 . 15599 1 769 . 1 1 79 79 ILE HG21 H 1 0.303 0.03 . 1 . . . . 79 ILE HG21 . 15599 1 770 . 1 1 79 79 ILE HG22 H 1 0.303 0.03 . 1 . . . . 79 ILE HG21 . 15599 1 771 . 1 1 79 79 ILE HG23 H 1 0.303 0.03 . 1 . . . . 79 ILE HG21 . 15599 1 772 . 1 1 79 79 ILE CA C 13 59.422 0.3 . 1 . . . . 79 ILE CA . 15599 1 773 . 1 1 79 79 ILE CB C 13 41.810 0.3 . 1 . . . . 79 ILE CB . 15599 1 774 . 1 1 79 79 ILE CD1 C 13 13.50 0.3 . 1 . . . . 79 ILE CD1 . 15599 1 775 . 1 1 79 79 ILE CG1 C 13 28.670 0.3 . 1 . . . . 79 ILE CG1 . 15599 1 776 . 1 1 79 79 ILE CG2 C 13 17.990 0.3 . 1 . . . . 79 ILE CG2 . 15599 1 777 . 1 1 79 79 ILE N N 15 120.297 0.3 . 1 . . . . 79 ILE N . 15599 1 778 . 1 1 80 80 SER H H 1 8.937 0.03 . 1 . . . . 80 SER HN . 15599 1 779 . 1 1 80 80 SER HB2 H 1 3.909 0.03 . 2 . . . . 80 SER HB1 . 15599 1 780 . 1 1 80 80 SER HB3 H 1 3.989 0.03 . 2 . . . . 80 SER HB2 . 15599 1 781 . 1 1 80 80 SER CA C 13 55.400 0.3 . 1 . . . . 80 SER CA . 15599 1 782 . 1 1 80 80 SER CB C 13 64.100 0.3 . 1 . . . . 80 SER CB . 15599 1 783 . 1 1 80 80 SER N N 15 118.345 0.3 . 1 . . . . 80 SER N . 15599 1 784 . 1 1 81 81 HIS HA H 1 4.138 0.03 . 1 . . . . 81 HIS HA . 15599 1 785 . 1 1 81 81 HIS HB2 H 1 2.857 0.03 . 2 . . . . 81 HIS HB1 . 15599 1 786 . 1 1 81 81 HIS HB3 H 1 3.120 0.03 . 2 . . . . 81 HIS HB2 . 15599 1 787 . 1 1 81 81 HIS CA C 13 54.730 0.3 . 1 . . . . 81 HIS CA . 15599 1 788 . 1 1 81 81 HIS CB C 13 32.020 0.3 . 1 . . . . 81 HIS CB . 15599 1 789 . 1 1 82 82 GLN H H 1 8.926 0.03 . 1 . . . . 82 GLN HN . 15599 1 790 . 1 1 82 82 GLN HA H 1 4.093 0.03 . 1 . . . . 82 GLN HA . 15599 1 791 . 1 1 82 82 GLN HB2 H 1 2.070 0.03 . 2 . . . . 82 GLN HB2 . 15599 1 792 . 1 1 82 82 GLN HE21 H 1 7.588 0.03 . 2 . . . . 82 GLN HE21 . 15599 1 793 . 1 1 82 82 GLN HE22 H 1 6.870 0.03 . 2 . . . . 82 GLN HE22 . 15599 1 794 . 1 1 82 82 GLN HG2 H 1 2.403 0.03 . 2 . . . . 82 GLN HG2 . 15599 1 795 . 1 1 82 82 GLN CA C 13 58.700 0.3 . 1 . . . . 82 GLN CA . 15599 1 796 . 1 1 82 82 GLN CB C 13 28.000 0.3 . 1 . . . . 82 GLN CB . 15599 1 797 . 1 1 82 82 GLN CG C 13 34.020 0.3 . 1 . . . . 82 GLN CG . 15599 1 798 . 1 1 82 82 GLN N N 15 123.930 0.3 . 1 . . . . 82 GLN N . 15599 1 799 . 1 1 82 82 GLN NE2 N 15 113.460 0.3 . 1 . . . . 82 GLN NE2 . 15599 1 800 . 1 1 83 83 SER HA H 1 4.275 0.03 . 1 . . . . 83 SER HA . 15599 1 801 . 1 1 83 83 SER HB2 H 1 3.895 0.03 . 2 . . . . 83 SER HB2 . 15599 1 802 . 1 1 83 83 SER CA C 13 59.160 0.3 . 1 . . . . 83 SER CA . 15599 1 803 . 1 1 83 83 SER CB C 13 63.200 0.3 . 1 . . . . 83 SER CB . 15599 1 804 . 1 1 84 84 GLN HE21 H 1 7.364 0.03 . 2 . . . . 84 GLN HE21 . 15599 1 805 . 1 1 84 84 GLN HE22 H 1 6.776 0.03 . 2 . . . . 84 GLN HE22 . 15599 1 806 . 1 1 84 84 GLN NE2 N 15 111.780 0.3 . 1 . . . . 84 GLN NE2 . 15599 1 807 . 1 1 87 87 LYS HA H 1 5.382 0.03 . 1 . . . . 87 LYS HA . 15599 1 808 . 1 1 87 87 LYS HB2 H 1 1.471 0.03 . 2 . . . . 87 LYS HB1 . 15599 1 809 . 1 1 87 87 LYS HB3 H 1 1.751 0.03 . 2 . . . . 87 LYS HB2 . 15599 1 810 . 1 1 87 87 LYS HD2 H 1 1.536 0.03 . 2 . . . . 87 LYS HD1 . 15599 1 811 . 1 1 87 87 LYS HD3 H 1 1.594 0.03 . 2 . . . . 87 LYS HD2 . 15599 1 812 . 1 1 87 87 LYS HE2 H 1 2.888 0.03 . 2 . . . . 87 LYS HE2 . 15599 1 813 . 1 1 87 87 LYS HG2 H 1 1.272 0.03 . 2 . . . . 87 LYS HG1 . 15599 1 814 . 1 1 87 87 LYS HG3 H 1 1.380 0.03 . 2 . . . . 87 LYS HG2 . 15599 1 815 . 1 1 87 87 LYS CA C 13 55.170 0.3 . 1 . . . . 87 LYS CA . 15599 1 816 . 1 1 87 87 LYS CB C 13 37.400 0.3 . 1 . . . . 87 LYS CB . 15599 1 817 . 1 1 87 87 LYS CD C 13 29.550 0.3 . 1 . . . . 87 LYS CD . 15599 1 818 . 1 1 87 87 LYS CE C 13 42.260 0.3 . 1 . . . . 87 LYS CE . 15599 1 819 . 1 1 87 87 LYS CG C 13 25.110 0.3 . 1 . . . . 87 LYS CG . 15599 1 820 . 1 1 88 88 ILE H H 1 8.680 0.03 . 1 . . . . 88 ILE HN . 15599 1 821 . 1 1 88 88 ILE HA H 1 5.180 0.03 . 1 . . . . 88 ILE HA . 15599 1 822 . 1 1 88 88 ILE HG21 H 1 0.623 0.03 . 1 . . . . 88 ILE HG21 . 15599 1 823 . 1 1 88 88 ILE HG22 H 1 0.623 0.03 . 1 . . . . 88 ILE HG21 . 15599 1 824 . 1 1 88 88 ILE HG23 H 1 0.623 0.03 . 1 . . . . 88 ILE HG21 . 15599 1 825 . 1 1 88 88 ILE CA C 13 60.100 0.3 . 1 . . . . 88 ILE CA . 15599 1 826 . 1 1 88 88 ILE CG2 C 13 18.870 0.3 . 1 . . . . 88 ILE CG2 . 15599 1 827 . 1 1 88 88 ILE N N 15 124.820 0.3 . 1 . . . . 88 ILE N . 15599 1 828 . 1 1 89 89 HIS HA H 1 5.744 0.03 . 1 . . . . 89 HIS HA . 15599 1 829 . 1 1 89 89 HIS HB2 H 1 2.901 0.03 . 2 . . . . 89 HIS HB1 . 15599 1 830 . 1 1 89 89 HIS HB3 H 1 2.760 0.03 . 2 . . . . 89 HIS HB2 . 15599 1 831 . 1 1 89 89 HIS HE1 H 1 7.290 0.03 . 3 . . . . 89 HIS HE1 . 15599 1 832 . 1 1 89 89 HIS CA C 13 54.370 0.3 . 1 . . . . 89 HIS CA . 15599 1 833 . 1 1 89 89 HIS CB C 13 34.876 0.3 . 1 . . . . 89 HIS CB . 15599 1 834 . 1 1 89 89 HIS CE1 C 13 137.520 0.3 . 1 . . . . 89 HIS CE1 . 15599 1 835 . 1 1 90 90 VAL H H 1 8.425 0.03 . 1 . . . . 90 VAL HN . 15599 1 836 . 1 1 90 90 VAL HA H 1 4.339 0.03 . 1 . . . . 90 VAL HA . 15599 1 837 . 1 1 90 90 VAL HB H 1 1.894 0.03 . 1 . . . . 90 VAL HB . 15599 1 838 . 1 1 90 90 VAL HG11 H 1 0.507 0.03 . 2 . . . . 90 VAL HG11 . 15599 1 839 . 1 1 90 90 VAL HG12 H 1 0.507 0.03 . 2 . . . . 90 VAL HG11 . 15599 1 840 . 1 1 90 90 VAL HG13 H 1 0.507 0.03 . 2 . . . . 90 VAL HG11 . 15599 1 841 . 1 1 90 90 VAL HG21 H 1 0.651 0.03 . 2 . . . . 90 VAL HG21 . 15599 1 842 . 1 1 90 90 VAL HG22 H 1 0.651 0.03 . 2 . . . . 90 VAL HG21 . 15599 1 843 . 1 1 90 90 VAL HG23 H 1 0.651 0.03 . 2 . . . . 90 VAL HG21 . 15599 1 844 . 1 1 90 90 VAL CA C 13 61.500 0.3 . 1 . . . . 90 VAL CA . 15599 1 845 . 1 1 90 90 VAL CB C 13 33.110 0.3 . 1 . . . . 90 VAL CB . 15599 1 846 . 1 1 90 90 VAL CG1 C 13 21.772 0.3 . 1 . . . . 90 VAL CG1 . 15599 1 847 . 1 1 90 90 VAL CG2 C 13 22.655 0.3 . 1 . . . . 90 VAL CG2 . 15599 1 848 . 1 1 90 90 VAL N N 15 129.900 0.3 . 1 . . . . 90 VAL N . 15599 1 849 . 1 1 91 91 TYR H H 1 8.673 0.03 . 1 . . . . 91 TYR HN . 15599 1 850 . 1 1 91 91 TYR HA H 1 5.389 0.03 . 1 . . . . 91 TYR HA . 15599 1 851 . 1 1 91 91 TYR HB2 H 1 2.659 0.03 . 2 . . . . 91 TYR HB1 . 15599 1 852 . 1 1 91 91 TYR HB3 H 1 3.018 0.03 . 2 . . . . 91 TYR HB2 . 15599 1 853 . 1 1 91 91 TYR HD1 H 1 6.768 0.03 . 3 . . . . 91 TYR HD1 . 15599 1 854 . 1 1 91 91 TYR HE1 H 1 6.492 0.03 . 3 . . . . 91 TYR HE1 . 15599 1 855 . 1 1 91 91 TYR CA C 13 56.045 0.3 . 1 . . . . 91 TYR CA . 15599 1 856 . 1 1 91 91 TYR CB C 13 38.404 0.3 . 1 . . . . 91 TYR CB . 15599 1 857 . 1 1 91 91 TYR CD1 C 13 135.094 0.3 . 3 . . . . 91 TYR CD1 . 15599 1 858 . 1 1 91 91 TYR CE1 C 13 117.620 0.3 . 3 . . . . 91 TYR CE1 . 15599 1 859 . 1 1 91 91 TYR N N 15 122.780 0.3 . 1 . . . . 91 TYR N . 15599 1 860 . 1 1 92 92 GLY H H 1 8.211 0.03 . 1 . . . . 92 GLY HN . 15599 1 861 . 1 1 92 92 GLY HA2 H 1 4.102 0.03 . 2 . . . . 92 GLY HA1 . 15599 1 862 . 1 1 92 92 GLY HA3 H 1 4.204 0.03 . 2 . . . . 92 GLY HA2 . 15599 1 863 . 1 1 92 92 GLY CA C 13 45.800 0.3 . 1 . . . . 92 GLY CA . 15599 1 864 . 1 1 92 92 GLY N N 15 104.50 0.3 . 1 . . . . 92 GLY N . 15599 1 865 . 1 1 93 93 TYR H H 1 8.220 0.03 . 1 . . . . 93 TYR HN . 15599 1 866 . 1 1 93 93 TYR HA H 1 5.221 0.03 . 1 . . . . 93 TYR HA . 15599 1 867 . 1 1 93 93 TYR HB2 H 1 2.463 0.03 . 2 . . . . 93 TYR HB1 . 15599 1 868 . 1 1 93 93 TYR HB3 H 1 3.219 0.03 . 2 . . . . 93 TYR HB2 . 15599 1 869 . 1 1 93 93 TYR HD1 H 1 6.870 0.03 . 3 . . . . 93 TYR HD1 . 15599 1 870 . 1 1 93 93 TYR HE1 H 1 6.837 0.03 . 3 . . . . 93 TYR HE1 . 15599 1 871 . 1 1 93 93 TYR CA C 13 56.535 0.3 . 1 . . . . 93 TYR CA . 15599 1 872 . 1 1 93 93 TYR CB C 13 40.700 0.3 . 1 . . . . 93 TYR CB . 15599 1 873 . 1 1 93 93 TYR CD1 C 13 133.590 0.3 . 3 . . . . 93 TYR CD1 . 15599 1 874 . 1 1 93 93 TYR CE1 C 13 118.450 0.3 . 3 . . . . 93 TYR CE1 . 15599 1 875 . 1 1 93 93 TYR N N 15 114.970 0.3 . 1 . . . . 93 TYR N . 15599 1 876 . 1 1 94 94 SER H H 1 5.960 0.03 . 1 . . . . 94 SER HN . 15599 1 877 . 1 1 94 94 SER HA H 1 4.645 0.03 . 1 . . . . 94 SER HA . 15599 1 878 . 1 1 94 94 SER HB2 H 1 2.326 0.03 . 2 . . . . 94 SER HB1 . 15599 1 879 . 1 1 94 94 SER HB3 H 1 3.160 0.03 . 2 . . . . 94 SER HB2 . 15599 1 880 . 1 1 94 94 SER CA C 13 55.100 0.3 . 1 . . . . 94 SER CA . 15599 1 881 . 1 1 94 94 SER CB C 13 64.827 0.3 . 1 . . . . 94 SER CB . 15599 1 882 . 1 1 94 94 SER N N 15 111.600 0.3 . 1 . . . . 94 SER N . 15599 1 883 . 1 1 95 95 MET HA H 1 4.391 0.03 . 1 . . . . 95 MET HA . 15599 1 884 . 1 1 95 95 MET HB2 H 1 2.172 0.03 . 2 . . . . 95 MET HB1 . 15599 1 885 . 1 1 95 95 MET HB3 H 1 2.273 0.03 . 2 . . . . 95 MET HB2 . 15599 1 886 . 1 1 95 95 MET HG2 H 1 2.719 0.03 . 2 . . . . 95 MET HG1 . 15599 1 887 . 1 1 95 95 MET HG3 H 1 2.786 0.03 . 2 . . . . 95 MET HG2 . 15599 1 888 . 1 1 95 95 MET CA C 13 58.380 0.3 . 1 . . . . 95 MET CA . 15599 1 889 . 1 1 95 95 MET CB C 13 32.400 0.3 . 1 . . . . 95 MET CB . 15599 1 890 . 1 1 95 95 MET CG C 13 32.403 0.3 . 1 . . . . 95 MET CG . 15599 1 891 . 1 1 96 96 ALA HA H 1 3.972 0.03 . 1 . . . . 96 ALA HA . 15599 1 892 . 1 1 96 96 ALA HB1 H 1 0.783 0.03 . 1 . . . . 96 ALA HB1 . 15599 1 893 . 1 1 96 96 ALA HB2 H 1 0.783 0.03 . 1 . . . . 96 ALA HB1 . 15599 1 894 . 1 1 96 96 ALA HB3 H 1 0.783 0.03 . 1 . . . . 96 ALA HB1 . 15599 1 895 . 1 1 96 96 ALA CA C 13 54.590 0.3 . 1 . . . . 96 ALA CA . 15599 1 896 . 1 1 96 96 ALA CB C 13 18.705 0.3 . 1 . . . . 96 ALA CB . 15599 1 897 . 1 1 97 97 TYR H H 1 7.245 0.03 . 1 . . . . 97 TYR HN . 15599 1 898 . 1 1 97 97 TYR HA H 1 4.726 0.03 . 1 . . . . 97 TYR HA . 15599 1 899 . 1 1 97 97 TYR HB2 H 1 2.129 0.03 . 2 . . . . 97 TYR HB1 . 15599 1 900 . 1 1 97 97 TYR HB3 H 1 3.072 0.03 . 2 . . . . 97 TYR HB2 . 15599 1 901 . 1 1 97 97 TYR HD1 H 1 6.805 0.03 . 3 . . . . 97 TYR HD1 . 15599 1 902 . 1 1 97 97 TYR HE1 H 1 6.406 0.03 . 3 . . . . 97 TYR HE1 . 15599 1 903 . 1 1 97 97 TYR CA C 13 56.339 0.3 . 1 . . . . 97 TYR CA . 15599 1 904 . 1 1 97 97 TYR CB C 13 40.470 0.3 . 1 . . . . 97 TYR CB . 15599 1 905 . 1 1 97 97 TYR CD1 C 13 132.500 0.3 . 3 . . . . 97 TYR CD1 . 15599 1 906 . 1 1 97 97 TYR CE1 C 13 117.180 0.3 . 3 . . . . 97 TYR CE1 . 15599 1 907 . 1 1 97 97 TYR N N 15 111.690 0.3 . 1 . . . . 97 TYR N . 15599 1 908 . 1 1 98 98 GLY H H 1 7.559 0.03 . 1 . . . . 98 GLY HN . 15599 1 909 . 1 1 98 98 GLY HA2 H 1 4.170 0.03 . 2 . . . . 98 GLY HA1 . 15599 1 910 . 1 1 98 98 GLY HA3 H 1 4.450 0.03 . 2 . . . . 98 GLY HA2 . 15599 1 911 . 1 1 98 98 GLY CA C 13 44.700 0.3 . 1 . . . . 98 GLY CA . 15599 1 912 . 1 1 98 98 GLY N N 15 109.470 0.3 . 1 . . . . 98 GLY N . 15599 1 913 . 1 1 99 99 PRO HA H 1 4.974 0.03 . 1 . . . . 99 PRO HA . 15599 1 914 . 1 1 99 99 PRO HB2 H 1 2.084 0.03 . 2 . . . . 99 PRO HB1 . 15599 1 915 . 1 1 99 99 PRO HB3 H 1 2.413 0.03 . 2 . . . . 99 PRO HB2 . 15599 1 916 . 1 1 99 99 PRO HD2 H 1 3.711 0.03 . 2 . . . . 99 PRO HD1 . 15599 1 917 . 1 1 99 99 PRO HD3 H 1 3.822 0.03 . 2 . . . . 99 PRO HD2 . 15599 1 918 . 1 1 99 99 PRO HG2 H 1 2.120 0.03 . 2 . . . . 99 PRO HG1 . 15599 1 919 . 1 1 99 99 PRO HG3 H 1 2.286 0.03 . 2 . . . . 99 PRO HG2 . 15599 1 920 . 1 1 99 99 PRO CA C 13 62.416 0.3 . 1 . . . . 99 PRO CA . 15599 1 921 . 1 1 99 99 PRO CB C 13 31.446 0.3 . 1 . . . . 99 PRO CB . 15599 1 922 . 1 1 99 99 PRO CD C 13 49.600 0.3 . 1 . . . . 99 PRO CD . 15599 1 923 . 1 1 99 99 PRO CG C 13 27.100 0.3 . 1 . . . . 99 PRO CG . 15599 1 924 . 1 1 100 100 ALA H H 1 7.420 0.03 . 1 . . . . 100 ALA HN . 15599 1 925 . 1 1 100 100 ALA HA H 1 4.256 0.03 . 1 . . . . 100 ALA HA . 15599 1 926 . 1 1 100 100 ALA HB1 H 1 0.751 0.03 . 1 . . . . 100 ALA HB1 . 15599 1 927 . 1 1 100 100 ALA HB2 H 1 0.751 0.03 . 1 . . . . 100 ALA HB1 . 15599 1 928 . 1 1 100 100 ALA HB3 H 1 0.751 0.03 . 1 . . . . 100 ALA HB1 . 15599 1 929 . 1 1 100 100 ALA CA C 13 50.851 0.3 . 1 . . . . 100 ALA CA . 15599 1 930 . 1 1 100 100 ALA CB C 13 19.200 0.3 . 1 . . . . 100 ALA CB . 15599 1 931 . 1 1 100 100 ALA N N 15 126.320 0.3 . 1 . . . . 100 ALA N . 15599 1 932 . 1 1 101 101 GLN H H 1 7.840 0.03 . 1 . . . . 101 GLN HN . 15599 1 933 . 1 1 101 101 GLN HA H 1 4.020 0.03 . 1 . . . . 101 GLN HA . 15599 1 934 . 1 1 101 101 GLN HB2 H 1 1.764 0.03 . 2 . . . . 101 GLN HB1 . 15599 1 935 . 1 1 101 101 GLN HB3 H 1 1.915 0.03 . 2 . . . . 101 GLN HB2 . 15599 1 936 . 1 1 101 101 GLN HE21 H 1 7.476 0.03 . 2 . . . . 101 GLN HE21 . 15599 1 937 . 1 1 101 101 GLN HE22 H 1 6.736 0.03 . 2 . . . . 101 GLN HE22 . 15599 1 938 . 1 1 101 101 GLN HG2 H 1 2.204 0.03 . 2 . . . . 101 GLN HG1 . 15599 1 939 . 1 1 101 101 GLN HG3 H 1 2.271 0.03 . 2 . . . . 101 GLN HG2 . 15599 1 940 . 1 1 101 101 GLN CA C 13 54.700 0.3 . 1 . . . . 101 GLN CA . 15599 1 941 . 1 1 101 101 GLN CB C 13 26.447 0.3 . 1 . . . . 101 GLN CB . 15599 1 942 . 1 1 101 101 GLN CG C 13 33.833 0.3 . 1 . . . . 101 GLN CG . 15599 1 943 . 1 1 101 101 GLN N N 15 119.940 0.3 . 1 . . . . 101 GLN N . 15599 1 944 . 1 1 101 101 GLN NE2 N 15 112.400 0.3 . 1 . . . . 101 GLN NE2 . 15599 1 945 . 1 1 102 102 HIS H H 1 6.931 0.03 . 1 . . . . 102 HIS HN . 15599 1 946 . 1 1 102 102 HIS HA H 1 4.035 0.03 . 1 . . . . 102 HIS HA . 15599 1 947 . 1 1 102 102 HIS HB2 H 1 2.648 0.03 . 2 . . . . 102 HIS HB1 . 15599 1 948 . 1 1 102 102 HIS HB3 H 1 2.901 0.03 . 2 . . . . 102 HIS HB2 . 15599 1 949 . 1 1 102 102 HIS HD2 H 1 6.434 0.03 . 3 . . . . 102 HIS HD2 . 15599 1 950 . 1 1 102 102 HIS HE1 H 1 7.535 0.03 . 3 . . . . 102 HIS HE1 . 15599 1 951 . 1 1 102 102 HIS CA C 13 58.070 0.3 . 1 . . . . 102 HIS CA . 15599 1 952 . 1 1 102 102 HIS CB C 13 31.570 0.3 . 1 . . . . 102 HIS CB . 15599 1 953 . 1 1 102 102 HIS CD2 C 13 116.900 0.3 . 1 . . . . 102 HIS CD2 . 15599 1 954 . 1 1 102 102 HIS CE1 C 13 139.500 0.3 . 1 . . . . 102 HIS CE1 . 15599 1 955 . 1 1 102 102 HIS N N 15 125.797 0.3 . 1 . . . . 102 HIS N . 15599 1 956 . 1 1 103 103 ALA H H 1 8.266 0.03 . 1 . . . . 103 ALA HN . 15599 1 957 . 1 1 103 103 ALA HA H 1 3.085 0.03 . 1 . . . . 103 ALA HA . 15599 1 958 . 1 1 103 103 ALA HB1 H 1 0.876 0.03 . 1 . . . . 103 ALA HB1 . 15599 1 959 . 1 1 103 103 ALA HB2 H 1 0.876 0.03 . 1 . . . . 103 ALA HB1 . 15599 1 960 . 1 1 103 103 ALA HB3 H 1 0.876 0.03 . 1 . . . . 103 ALA HB1 . 15599 1 961 . 1 1 103 103 ALA CA C 13 54.900 0.3 . 1 . . . . 103 ALA CA . 15599 1 962 . 1 1 103 103 ALA CB C 13 18.200 0.3 . 1 . . . . 103 ALA CB . 15599 1 963 . 1 1 103 103 ALA N N 15 122.420 0.3 . 1 . . . . 103 ALA N . 15599 1 964 . 1 1 104 104 ILE H H 1 7.433 0.03 . 1 . . . . 104 ILE HN . 15599 1 965 . 1 1 104 104 ILE HA H 1 3.716 0.03 . 1 . . . . 104 ILE HA . 15599 1 966 . 1 1 104 104 ILE HB H 1 1.926 0.03 . 1 . . . . 104 ILE HB . 15599 1 967 . 1 1 104 104 ILE HD11 H 1 0.750 0.03 . 1 . . . . 104 ILE HD11 . 15599 1 968 . 1 1 104 104 ILE HD12 H 1 0.750 0.03 . 1 . . . . 104 ILE HD11 . 15599 1 969 . 1 1 104 104 ILE HD13 H 1 0.750 0.03 . 1 . . . . 104 ILE HD11 . 15599 1 970 . 1 1 104 104 ILE HG12 H 1 1.065 0.03 . 1 . . . . 104 ILE HG11 . 15599 1 971 . 1 1 104 104 ILE HG13 H 1 1.452 0.03 . 1 . . . . 104 ILE HG12 . 15599 1 972 . 1 1 104 104 ILE HG21 H 1 0.750 0.03 . 1 . . . . 104 ILE HG21 . 15599 1 973 . 1 1 104 104 ILE HG22 H 1 0.750 0.03 . 1 . . . . 104 ILE HG21 . 15599 1 974 . 1 1 104 104 ILE HG23 H 1 0.750 0.03 . 1 . . . . 104 ILE HG21 . 15599 1 975 . 1 1 104 104 ILE CA C 13 63.886 0.3 . 1 . . . . 104 ILE CA . 15599 1 976 . 1 1 104 104 ILE CB C 13 37.130 0.3 . 1 . . . . 104 ILE CB . 15599 1 977 . 1 1 104 104 ILE CD1 C 13 12.41 0.3 . 1 . . . . 104 ILE CD1 . 15599 1 978 . 1 1 104 104 ILE CG1 C 13 28.000 0.3 . 1 . . . . 104 ILE CG1 . 15599 1 979 . 1 1 104 104 ILE CG2 C 13 17.030 0.3 . 1 . . . . 104 ILE CG2 . 15599 1 980 . 1 1 104 104 ILE N N 15 119.760 0.3 . 1 . . . . 104 ILE N . 15599 1 981 . 1 1 105 105 SER H H 1 7.081 0.03 . 1 . . . . 105 SER HN . 15599 1 982 . 1 1 105 105 SER HA H 1 3.783 0.03 . 1 . . . . 105 SER HA . 15599 1 983 . 1 1 105 105 SER HB2 H 1 3.471 0.03 . 2 . . . . 105 SER HB1 . 15599 1 984 . 1 1 105 105 SER HB3 H 1 3.975 0.03 . 2 . . . . 105 SER HB2 . 15599 1 985 . 1 1 105 105 SER CA C 13 60.456 0.3 . 1 . . . . 105 SER CA . 15599 1 986 . 1 1 105 105 SER CB C 13 61.600 0.3 . 1 . . . . 105 SER CB . 15599 1 987 . 1 1 105 105 SER N N 15 114.790 0.3 . 1 . . . . 105 SER N . 15599 1 988 . 1 1 106 106 THR H H 1 8.512 0.03 . 1 . . . . 106 THR HN . 15599 1 989 . 1 1 106 106 THR HA H 1 3.525 0.03 . 1 . . . . 106 THR HA . 15599 1 990 . 1 1 106 106 THR HB H 1 4.044 0.03 . 1 . . . . 106 THR HB . 15599 1 991 . 1 1 106 106 THR HG21 H 1 1.173 0.03 . 1 . . . . 106 THR HG21 . 15599 1 992 . 1 1 106 106 THR HG22 H 1 1.173 0.03 . 1 . . . . 106 THR HG21 . 15599 1 993 . 1 1 106 106 THR HG23 H 1 1.173 0.03 . 1 . . . . 106 THR HG21 . 15599 1 994 . 1 1 106 106 THR CA C 13 67.266 0.3 . 1 . . . . 106 THR CA . 15599 1 995 . 1 1 106 106 THR CB C 13 68.290 0.3 . 1 . . . . 106 THR CB . 15599 1 996 . 1 1 106 106 THR CG2 C 13 22.442 0.3 . 1 . . . . 106 THR CG2 . 15599 1 997 . 1 1 106 106 THR N N 15 114.790 0.3 . 1 . . . . 106 THR N . 15599 1 998 . 1 1 107 107 GLU H H 1 7.294 0.03 . 1 . . . . 107 GLU HN . 15599 1 999 . 1 1 107 107 GLU HA H 1 3.980 0.03 . 1 . . . . 107 GLU HA . 15599 1 1000 . 1 1 107 107 GLU HB2 H 1 2.180 0.03 . 2 . . . . 107 GLU HB2 . 15599 1 1001 . 1 1 107 107 GLU HG2 H 1 2.295 0.03 . 2 . . . . 107 GLU HG1 . 15599 1 1002 . 1 1 107 107 GLU HG3 H 1 2.412 0.03 . 2 . . . . 107 GLU HG2 . 15599 1 1003 . 1 1 107 107 GLU CA C 13 59.868 0.3 . 1 . . . . 107 GLU CA . 15599 1 1004 . 1 1 107 107 GLU CB C 13 29.387 0.3 . 1 . . . . 107 GLU CB . 15599 1 1005 . 1 1 107 107 GLU CG C 13 36.044 0.3 . 1 . . . . 107 GLU CG . 15599 1 1006 . 1 1 107 107 GLU N N 15 122.960 0.3 . 1 . . . . 107 GLU N . 15599 1 1007 . 1 1 108 108 LYS H H 1 7.363 0.03 . 1 . . . . 108 LYS HN . 15599 1 1008 . 1 1 108 108 LYS HA H 1 4.136 0.03 . 1 . . . . 108 LYS HA . 15599 1 1009 . 1 1 108 108 LYS HB2 H 1 1.880 0.03 . 2 . . . . 108 LYS HB1 . 15599 1 1010 . 1 1 108 108 LYS HB3 H 1 1.629 0.03 . 2 . . . . 108 LYS HB2 . 15599 1 1011 . 1 1 108 108 LYS HD2 H 1 1.619 0.03 . 2 . . . . 108 LYS HD1 . 15599 1 1012 . 1 1 108 108 LYS HD3 H 1 1.455 0.03 . 2 . . . . 108 LYS HD2 . 15599 1 1013 . 1 1 108 108 LYS HE2 H 1 2.847 0.03 . 2 . . . . 108 LYS HE1 . 15599 1 1014 . 1 1 108 108 LYS HE3 H 1 3.019 0.03 . 2 . . . . 108 LYS HE2 . 15599 1 1015 . 1 1 108 108 LYS HG2 H 1 1.660 0.03 . 2 . . . . 108 LYS HG1 . 15599 1 1016 . 1 1 108 108 LYS HG3 H 1 1.367 0.03 . 2 . . . . 108 LYS HG2 . 15599 1 1017 . 1 1 108 108 LYS CA C 13 58.006 0.3 . 1 . . . . 108 LYS CA . 15599 1 1018 . 1 1 108 108 LYS CB C 13 31.838 0.3 . 1 . . . . 108 LYS CB . 15599 1 1019 . 1 1 108 108 LYS CD C 13 28.450 0.3 . 1 . . . . 108 LYS CD . 15599 1 1020 . 1 1 108 108 LYS CE C 13 42.500 0.3 . 1 . . . . 108 LYS CE . 15599 1 1021 . 1 1 108 108 LYS CG C 13 24.890 0.3 . 1 . . . . 108 LYS CG . 15599 1 1022 . 1 1 108 108 LYS N N 15 116.920 0.3 . 1 . . . . 108 LYS N . 15599 1 1023 . 1 1 109 109 ILE H H 1 8.449 0.03 . 1 . . . . 109 ILE HN . 15599 1 1024 . 1 1 109 109 ILE HA H 1 3.517 0.03 . 1 . . . . 109 ILE HA . 15599 1 1025 . 1 1 109 109 ILE HB H 1 1.675 0.03 . 1 . . . . 109 ILE HB . 15599 1 1026 . 1 1 109 109 ILE HD11 H 1 0.387 0.03 . 1 . . . . 109 ILE HD11 . 15599 1 1027 . 1 1 109 109 ILE HD12 H 1 0.387 0.03 . 1 . . . . 109 ILE HD11 . 15599 1 1028 . 1 1 109 109 ILE HD13 H 1 0.387 0.03 . 1 . . . . 109 ILE HD11 . 15599 1 1029 . 1 1 109 109 ILE HG12 H 1 1.835 0.03 . 1 . . . . 109 ILE HG11 . 15599 1 1030 . 1 1 109 109 ILE HG13 H 1 0.594 0.03 . 1 . . . . 109 ILE HG12 . 15599 1 1031 . 1 1 109 109 ILE HG21 H 1 0.748 0.03 . 1 . . . . 109 ILE HG21 . 15599 1 1032 . 1 1 109 109 ILE HG22 H 1 0.748 0.03 . 1 . . . . 109 ILE HG21 . 15599 1 1033 . 1 1 109 109 ILE HG23 H 1 0.748 0.03 . 1 . . . . 109 ILE HG21 . 15599 1 1034 . 1 1 109 109 ILE CA C 13 66.300 0.3 . 1 . . . . 109 ILE CA . 15599 1 1035 . 1 1 109 109 ILE CB C 13 38.680 0.3 . 1 . . . . 109 ILE CB . 15599 1 1036 . 1 1 109 109 ILE CD1 C 13 14.40 0.3 . 1 . . . . 109 ILE CD1 . 15599 1 1037 . 1 1 109 109 ILE CG1 C 13 30.700 0.3 . 1 . . . . 109 ILE CG1 . 15599 1 1038 . 1 1 109 109 ILE CG2 C 13 20.200 0.3 . 1 . . . . 109 ILE CG2 . 15599 1 1039 . 1 1 109 109 ILE N N 15 121.360 0.3 . 1 . . . . 109 ILE N . 15599 1 1040 . 1 1 110 110 LYS H H 1 8.864 0.03 . 1 . . . . 110 LYS HN . 15599 1 1041 . 1 1 110 110 LYS HA H 1 3.918 0.03 . 1 . . . . 110 LYS HA . 15599 1 1042 . 1 1 110 110 LYS HB2 H 1 1.801 0.03 . 2 . . . . 110 LYS HB1 . 15599 1 1043 . 1 1 110 110 LYS HB3 H 1 1.936 0.03 . 2 . . . . 110 LYS HB2 . 15599 1 1044 . 1 1 110 110 LYS HD2 H 1 1.640 0.03 . 2 . . . . 110 LYS HD1 . 15599 1 1045 . 1 1 110 110 LYS HD3 H 1 1.914 0.03 . 2 . . . . 110 LYS HD2 . 15599 1 1046 . 1 1 110 110 LYS HE2 H 1 3.061 0.03 . 2 . . . . 110 LYS HE1 . 15599 1 1047 . 1 1 110 110 LYS HE3 H 1 3.135 0.03 . 2 . . . . 110 LYS HE2 . 15599 1 1048 . 1 1 110 110 LYS HG2 H 1 1.630 0.03 . 2 . . . . 110 LYS HG1 . 15599 1 1049 . 1 1 110 110 LYS HG3 H 1 1.540 0.03 . 2 . . . . 110 LYS HG2 . 15599 1 1050 . 1 1 110 110 LYS CA C 13 59.200 0.3 . 1 . . . . 110 LYS CA . 15599 1 1051 . 1 1 110 110 LYS CB C 13 32.700 0.3 . 1 . . . . 110 LYS CB . 15599 1 1052 . 1 1 110 110 LYS CD C 13 29.539 0.3 . 1 . . . . 110 LYS CD . 15599 1 1053 . 1 1 110 110 LYS CE C 13 42.500 0.3 . 1 . . . . 110 LYS CE . 15599 1 1054 . 1 1 110 110 LYS CG C 13 25.458 0.3 . 1 . . . . 110 LYS CG . 15599 1 1055 . 1 1 110 110 LYS N N 15 121.006 0.3 . 1 . . . . 110 LYS N . 15599 1 1056 . 1 1 111 111 ALA H H 1 6.924 0.03 . 1 . . . . 111 ALA HN . 15599 1 1057 . 1 1 111 111 ALA HA H 1 4.132 0.03 . 1 . . . . 111 ALA HA . 15599 1 1058 . 1 1 111 111 ALA HB1 H 1 1.502 0.03 . 1 . . . . 111 ALA HB1 . 15599 1 1059 . 1 1 111 111 ALA HB2 H 1 1.502 0.03 . 1 . . . . 111 ALA HB1 . 15599 1 1060 . 1 1 111 111 ALA HB3 H 1 1.502 0.03 . 1 . . . . 111 ALA HB1 . 15599 1 1061 . 1 1 111 111 ALA CA C 13 54.281 0.3 . 1 . . . . 111 ALA CA . 15599 1 1062 . 1 1 111 111 ALA CB C 13 18.116 0.3 . 1 . . . . 111 ALA CB . 15599 1 1063 . 1 1 111 111 ALA N N 15 117.810 0.3 . 1 . . . . 111 ALA N . 15599 1 1064 . 1 1 112 112 LYS H H 1 7.130 0.03 . 1 . . . . 112 LYS HN . 15599 1 1065 . 1 1 112 112 LYS HA H 1 4.110 0.03 . 1 . . . . 112 LYS HA . 15599 1 1066 . 1 1 112 112 LYS HB2 H 1 1.617 0.03 . 2 . . . . 112 LYS HB1 . 15599 1 1067 . 1 1 112 112 LYS HB3 H 1 1.727 0.03 . 2 . . . . 112 LYS HB2 . 15599 1 1068 . 1 1 112 112 LYS HD2 H 1 1.403 0.03 . 2 . . . . 112 LYS HD1 . 15599 1 1069 . 1 1 112 112 LYS HD3 H 1 1.681 0.03 . 2 . . . . 112 LYS HD2 . 15599 1 1070 . 1 1 112 112 LYS HE2 H 1 2.826 0.03 . 2 . . . . 112 LYS HE1 . 15599 1 1071 . 1 1 112 112 LYS HE3 H 1 2.920 0.03 . 2 . . . . 112 LYS HE2 . 15599 1 1072 . 1 1 112 112 LYS HG2 H 1 0.695 0.03 . 2 . . . . 112 LYS HG2 . 15599 1 1073 . 1 1 112 112 LYS CA C 13 56.437 0.3 . 1 . . . . 112 LYS CA . 15599 1 1074 . 1 1 112 112 LYS CB C 13 33.014 0.3 . 1 . . . . 112 LYS CB . 15599 1 1075 . 1 1 112 112 LYS CD C 13 28.900 0.3 . 1 . . . . 112 LYS CD . 15599 1 1076 . 1 1 112 112 LYS CE C 13 42.570 0.3 . 1 . . . . 112 LYS CE . 15599 1 1077 . 1 1 112 112 LYS CG C 13 25.300 0.3 . 1 . . . . 112 LYS CG . 15599 1 1078 . 1 1 112 112 LYS N N 15 118.160 0.3 . 1 . . . . 112 LYS N . 15599 1 1079 . 1 1 113 113 TYR H H 1 7.924 0.03 . 1 . . . . 113 TYR HN . 15599 1 1080 . 1 1 113 113 TYR CA C 13 54.800 0.3 . 1 . . . . 113 TYR CA . 15599 1 1081 . 1 1 113 113 TYR CB C 13 36.900 0.3 . 1 . . . . 113 TYR CB . 15599 1 1082 . 1 1 113 113 TYR N N 15 118.878 0.3 . 1 . . . . 113 TYR N . 15599 1 1083 . 1 1 117 117 GLU HA H 1 4.677 0.03 . 1 . . . . 117 GLU HA . 15599 1 1084 . 1 1 117 117 GLU HB2 H 1 2.020 0.03 . 2 . . . . 117 GLU HB1 . 15599 1 1085 . 1 1 117 117 GLU HB3 H 1 2.110 0.03 . 2 . . . . 117 GLU HB2 . 15599 1 1086 . 1 1 117 117 GLU HG2 H 1 2.190 0.03 . 2 . . . . 117 GLU HG1 . 15599 1 1087 . 1 1 117 117 GLU HG3 H 1 2.303 0.03 . 2 . . . . 117 GLU HG2 . 15599 1 1088 . 1 1 117 117 GLU CA C 13 56.045 0.3 . 1 . . . . 117 GLU CA . 15599 1 1089 . 1 1 117 117 GLU CB C 13 30.661 0.3 . 1 . . . . 117 GLU CB . 15599 1 1090 . 1 1 117 117 GLU CG C 13 36.364 0.3 . 1 . . . . 117 GLU CG . 15599 1 1091 . 1 1 118 118 VAL H H 1 8.774 0.03 . 1 . . . . 118 VAL HN . 15599 1 1092 . 1 1 118 118 VAL HA H 1 5.517 0.03 . 1 . . . . 118 VAL HA . 15599 1 1093 . 1 1 118 118 VAL HB H 1 2.038 0.03 . 1 . . . . 118 VAL HB . 15599 1 1094 . 1 1 118 118 VAL HG11 H 1 0.844 0.03 . 2 . . . . 118 VAL HG11 . 15599 1 1095 . 1 1 118 118 VAL HG12 H 1 0.844 0.03 . 2 . . . . 118 VAL HG11 . 15599 1 1096 . 1 1 118 118 VAL HG13 H 1 0.844 0.03 . 2 . . . . 118 VAL HG11 . 15599 1 1097 . 1 1 118 118 VAL HG21 H 1 0.902 0.03 . 2 . . . . 118 VAL HG21 . 15599 1 1098 . 1 1 118 118 VAL HG22 H 1 0.902 0.03 . 2 . . . . 118 VAL HG21 . 15599 1 1099 . 1 1 118 118 VAL HG23 H 1 0.902 0.03 . 2 . . . . 118 VAL HG21 . 15599 1 1100 . 1 1 118 118 VAL CA C 13 60.900 0.3 . 1 . . . . 118 VAL CA . 15599 1 1101 . 1 1 118 118 VAL CB C 13 32.500 0.3 . 1 . . . . 118 VAL CB . 15599 1 1102 . 1 1 118 118 VAL CG1 C 13 21.900 0.3 . 1 . . . . 118 VAL CG1 . 15599 1 1103 . 1 1 118 118 VAL CG2 C 13 22.260 0.3 . 1 . . . . 118 VAL CG2 . 15599 1 1104 . 1 1 118 118 VAL N N 15 130.580 0.3 . 1 . . . . 118 VAL N . 15599 1 1105 . 1 1 119 119 THR H H 1 9.202 0.03 . 1 . . . . 119 THR HN . 15599 1 1106 . 1 1 119 119 THR HA H 1 4.903 0.03 . 1 . . . . 119 THR HA . 15599 1 1107 . 1 1 119 119 THR HB H 1 4.547 0.03 . 1 . . . . 119 THR HB . 15599 1 1108 . 1 1 119 119 THR HG21 H 1 1.151 0.03 . 1 . . . . 119 THR HG21 . 15599 1 1109 . 1 1 119 119 THR HG22 H 1 1.151 0.03 . 1 . . . . 119 THR HG21 . 15599 1 1110 . 1 1 119 119 THR HG23 H 1 1.151 0.03 . 1 . . . . 119 THR HG21 . 15599 1 1111 . 1 1 119 119 THR CA C 13 59.574 0.3 . 1 . . . . 119 THR CA . 15599 1 1112 . 1 1 119 119 THR CB C 13 72.70 0.3 . 1 . . . . 119 THR CB . 15599 1 1113 . 1 1 119 119 THR CG2 C 13 21.992 0.3 . 1 . . . . 119 THR CG2 . 15599 1 1114 . 1 1 119 119 THR N N 15 119.580 0.3 . 1 . . . . 119 THR N . 15599 1 1115 . 1 1 120 120 TRP H H 1 8.218 0.03 . 1 . . . . 120 TRP HN . 15599 1 1116 . 1 1 120 120 TRP HA H 1 5.808 0.03 . 1 . . . . 120 TRP HA . 15599 1 1117 . 1 1 120 120 TRP HB2 H 1 3.138 0.03 . 2 . . . . 120 TRP HB2 . 15599 1 1118 . 1 1 120 120 TRP HD1 H 1 7.194 0.03 . 1 . . . . 120 TRP HD1 . 15599 1 1119 . 1 1 120 120 TRP HE1 H 1 10.391 0.03 . 1 . . . . 120 TRP HE1 . 15599 1 1120 . 1 1 120 120 TRP HE3 H 1 7.585 0.03 . 1 . . . . 120 TRP HE3 . 15599 1 1121 . 1 1 120 120 TRP HH2 H 1 7.288 0.03 . 1 . . . . 120 TRP HH2 . 15599 1 1122 . 1 1 120 120 TRP HZ2 H 1 7.554 0.03 . 1 . . . . 120 TRP HZ2 . 15599 1 1123 . 1 1 120 120 TRP HZ3 H 1 7.350 0.03 . 1 . . . . 120 TRP HZ3 . 15599 1 1124 . 1 1 120 120 TRP CA C 13 54.967 0.3 . 1 . . . . 120 TRP CA . 15599 1 1125 . 1 1 120 120 TRP CB C 13 33.014 0.3 . 1 . . . . 120 TRP CB . 15599 1 1126 . 1 1 120 120 TRP CD1 C 13 127.836 0.3 . 3 . . . . 120 TRP CD1 . 15599 1 1127 . 1 1 120 120 TRP CE3 C 13 120.324 0.3 . 3 . . . . 120 TRP CE3 . 15599 1 1128 . 1 1 120 120 TRP CH2 C 13 124.300 0.3 . 1 . . . . 120 TRP CH2 . 15599 1 1129 . 1 1 120 120 TRP CZ2 C 13 114.911 0.3 . 3 . . . . 120 TRP CZ2 . 15599 1 1130 . 1 1 120 120 TRP CZ3 C 13 120.543 0.3 . 3 . . . . 120 TRP CZ3 . 15599 1 1131 . 1 1 120 120 TRP N N 15 114.620 0.3 . 1 . . . . 120 TRP N . 15599 1 1132 . 1 1 120 120 TRP NE1 N 15 130.580 0.3 . 1 . . . . 120 TRP NE1 . 15599 1 1133 . 1 1 121 121 ALA H H 1 8.631 0.03 . 1 . . . . 121 ALA HN . 15599 1 1134 . 1 1 121 121 ALA HA H 1 4.344 0.03 . 1 . . . . 121 ALA HA . 15599 1 1135 . 1 1 121 121 ALA HB1 H 1 1.591 0.03 . 1 . . . . 121 ALA HB1 . 15599 1 1136 . 1 1 121 121 ALA HB2 H 1 1.591 0.03 . 1 . . . . 121 ALA HB1 . 15599 1 1137 . 1 1 121 121 ALA HB3 H 1 1.591 0.03 . 1 . . . . 121 ALA HB1 . 15599 1 1138 . 1 1 121 121 ALA CA C 13 51.773 0.3 . 1 . . . . 121 ALA CA . 15599 1 1139 . 1 1 121 121 ALA CB C 13 23.100 0.3 . 1 . . . . 121 ALA CB . 15599 1 1140 . 1 1 121 121 ALA N N 15 121.360 0.3 . 1 . . . . 121 ALA N . 15599 1 1141 . 1 1 122 122 ASN H H 1 8.861 0.03 . 1 . . . . 122 ASN HN . 15599 1 1142 . 1 1 122 122 ASN HA H 1 5.451 0.03 . 1 . . . . 122 ASN HA . 15599 1 1143 . 1 1 122 122 ASN HB2 H 1 2.908 0.03 . 2 . . . . 122 ASN HB1 . 15599 1 1144 . 1 1 122 122 ASN HB3 H 1 3.080 0.03 . 2 . . . . 122 ASN HB2 . 15599 1 1145 . 1 1 122 122 ASN HD21 H 1 7.799 0.03 . 2 . . . . 122 ASN HD21 . 15599 1 1146 . 1 1 122 122 ASN HD22 H 1 7.046 0.03 . 2 . . . . 122 ASN HD22 . 15599 1 1147 . 1 1 122 122 ASN CA C 13 53.157 0.3 . 1 . . . . 122 ASN CA . 15599 1 1148 . 1 1 122 122 ASN CB C 13 38.900 0.3 . 1 . . . . 122 ASN CB . 15599 1 1149 . 1 1 122 122 ASN N N 15 119.232 0.3 . 1 . . . . 122 ASN N . 15599 1 1150 . 1 1 122 122 ASN ND2 N 15 112.490 0.3 . 1 . . . . 122 ASN ND2 . 15599 1 1151 . 1 1 123 123 ASP H H 1 8.121 0.03 . 1 . . . . 123 ASP HN . 15599 1 1152 . 1 1 123 123 ASP HA H 1 4.838 0.03 . 1 . . . . 123 ASP HA . 15599 1 1153 . 1 1 123 123 ASP HB2 H 1 2.737 0.03 . 2 . . . . 123 ASP HB2 . 15599 1 1154 . 1 1 123 123 ASP CA C 13 53.912 0.3 . 1 . . . . 123 ASP CA . 15599 1 1155 . 1 1 123 123 ASP CB C 13 42.549 0.3 . 1 . . . . 123 ASP CB . 15599 1 1156 . 1 1 123 123 ASP N N 15 119.590 0.3 . 1 . . . . 123 ASP N . 15599 1 1157 . 1 1 124 124 GLY H H 1 8.357 0.03 . 1 . . . . 124 GLY HN . 15599 1 1158 . 1 1 124 124 GLY HA2 H 1 3.826 0.03 . 1 . . . . 124 GLY HA1 . 15599 1 1159 . 1 1 124 124 GLY HA3 H 1 3.976 0.03 . 1 . . . . 124 GLY HA2 . 15599 1 1160 . 1 1 124 124 GLY CA C 13 45.559 0.3 . 1 . . . . 124 GLY CA . 15599 1 1161 . 1 1 124 124 GLY N N 15 107.34 0.3 . 1 . . . . 124 GLY N . 15599 1 1162 . 1 1 125 125 TYR H H 1 7.652 0.03 . 1 . . . . 125 TYR HN . 15599 1 1163 . 1 1 125 125 TYR HA H 1 4.350 0.03 . 1 . . . . 125 TYR HA . 15599 1 1164 . 1 1 125 125 TYR HB2 H 1 2.820 0.03 . 2 . . . . 125 TYR HB1 . 15599 1 1165 . 1 1 125 125 TYR HB3 H 1 2.947 0.03 . 2 . . . . 125 TYR HB2 . 15599 1 1166 . 1 1 125 125 TYR HD1 H 1 6.765 0.03 . 3 . . . . 125 TYR HD1 . 15599 1 1167 . 1 1 125 125 TYR HE1 H 1 6.732 0.03 . 3 . . . . 125 TYR HE1 . 15599 1 1168 . 1 1 125 125 TYR CA C 13 59.850 0.3 . 1 . . . . 125 TYR CA . 15599 1 1169 . 1 1 125 125 TYR CB C 13 39.800 0.3 . 1 . . . . 125 TYR CB . 15599 1 1170 . 1 1 125 125 TYR CD1 C 13 132.930 0.3 . 3 . . . . 125 TYR CD1 . 15599 1 1171 . 1 1 125 125 TYR CE1 C 13 118.060 0.3 . 3 . . . . 125 TYR CE1 . 15599 1 1172 . 1 1 125 125 TYR N N 15 123.846 0.3 . 1 . . . . 125 TYR N . 15599 1 stop_ save_