data_16835 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16835 _Entry.Title ; The NMR structure of the autophagy-related protein Atg8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-05 _Entry.Accession_date 2010-04-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Hiroyuki Kumeta . . . 16835 2 Masahiro Watanabe . . . 16835 3 Hitoshi Nakatogawa . . . 16835 4 Masaya Yamaguchi . . . 16835 5 Kenji Ogura . . . 16835 6 Wakana Adachi . . . 16835 7 Yuko Fujioka . . . 16835 8 Nobuo Noda . N. . 16835 9 Yoshinori Ohsumi . . . 16835 10 Fuyuhiko Inagaki . . . 16835 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' . 16835 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Atg8 . 16835 Autophagy . 16835 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16835 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 521 16835 '15N chemical shifts' 113 16835 '1H chemical shifts' 863 16835 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 . . 2010-08-12 2010-04-05 update BMRB 'Complete entry citation' 16835 1 . . 2010-05-11 2010-04-05 original author 'original release' 16835 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KWC 'BMRB Entry Tracking System' 16835 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16835 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20428927 _Citation.Full_citation . _Citation.Title 'The NMR structure of the autophagy-related protein Atg8.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 47 _Citation.Journal_issue 3 _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 237 _Citation.Page_last 241 _Citation.Year 2010 _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 Hiroyuki Kumeta . . . 16835 1 2 Masahiro Watanabe . . . 16835 1 3 Hitoshi Nakatogawa . . . 16835 1 4 Masaya Yamaguchi . . . 16835 1 5 Kenji Ogura . . . 16835 1 6 Wakana Adachi . . . 16835 1 7 Yuko Fujioka . . . 16835 1 8 Nobuo Noda . N. . 16835 1 9 Yoshinori Ohsumi . . . 16835 1 10 Fuyuhiko Inagaki . . . 16835 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16835 _Assembly.ID 1 _Assembly.Name Atg8 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Atg8 1 $Atg8_K26P A . yes native no no . . . 16835 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Atg8_K26P _Entity.Sf_category entity _Entity.Sf_framecode Atg8_K26P _Entity.Entry_ID 16835 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Atg8_K26P _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKSTFKSEYPFEKRKAESER IADRFPNRIPVICEKAEKSD IPEIDKRKYLVPADLTVGQF VYVIRKRIMLPPEKAIFIFV NDTLPPTAALMSAIYQEHKD KDGFLYVTYSGENTFG ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13459.674 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16120 . Atg8 . . . . . 100.00 119 99.14 99.14 1.05e-76 . . . . 16835 1 2 no BMRB 17879 . Atg8K26P . . . . . 100.00 117 100.00 100.00 1.01e-77 . . . . 16835 1 3 no PDB 2KQ7 . "Solution Structure Of The Autophagy-Related Protein Atg8" . . . . . 100.00 119 99.14 99.14 1.05e-76 . . . . 16835 1 4 no PDB 2KWC . "The Nmr Structure Of The Autophagy-Related Protein Atg8" . . . . . 100.00 116 100.00 100.00 9.25e-78 . . . . 16835 1 5 no PDB 2LI5 . "Nmr Structure Of Atg8-Atg7c30 Complex" . . . . . 100.00 117 100.00 100.00 1.01e-77 . . . . 16835 1 6 no PDB 2ZPN . "The Crystal Structure Of Saccharomyces Cerevisiae Atg8- Atg19(412-415) Complex" . . . . . 100.00 119 99.14 99.14 1.04e-76 . . . . 16835 1 7 no PDB 3RUI . "Crystal Structure Of Atg7c-atg8 Complex" . . . . . 100.00 118 99.14 99.14 9.44e-77 . . . . 16835 1 8 no PDB 3VH3 . "Crystal Structure Of Atg7ctd-Atg8 Complex" . . . . . 100.00 119 100.00 100.00 1.40e-77 . . . . 16835 1 9 no PDB 3VH4 . "Crystal Structure Of Atg7ctd-Atg8-Mgatp Complex" . . . . . 100.00 119 100.00 100.00 1.40e-77 . . . . 16835 1 10 no PDB 3VXW . "Crystal Structure Of Saccharomyces Cerevisiae Atg8 Complexed With Atg32 Aim" . . . . . 100.00 119 99.14 99.14 1.04e-76 . . . . 16835 1 11 no DBJ GAA21477 . "K7_Atg8p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 117 99.14 99.14 1.05e-76 . . . . 16835 1 12 no EMBL CAA56032 . "E-117 protein [Saccharomyces cerevisiae]" . . . . . 100.00 117 99.14 99.14 1.05e-76 . . . . 16835 1 13 no EMBL CAA84899 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 100.00 117 99.14 99.14 1.05e-76 . . . . 16835 1 14 no EMBL CAY77706 . "Atg8p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 117 99.14 99.14 1.05e-76 . . . . 16835 1 15 no GB AAT92889 . "YBL078C [Saccharomyces cerevisiae]" . . . . . 100.00 117 99.14 99.14 1.05e-76 . . . . 16835 1 16 no GB AHY74413 . "Atg8p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 117 99.14 99.14 1.05e-76 . . . . 16835 1 17 no GB AJP37015 . "Atg8p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 117 99.14 99.14 1.05e-76 . . . . 16835 1 18 no GB AJP81917 . "Atg8p [Saccharomyces cerevisiae YJM1402]" . . . . . 100.00 117 99.14 99.14 1.05e-76 . . . . 16835 1 19 no GB AJP82297 . "Atg8p [Saccharomyces cerevisiae YJM1415]" . . . . . 100.00 117 99.14 99.14 1.05e-76 . . . . 16835 1 20 no REF NP_009475 . "ubiquitin-like protein ATG8 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 117 99.14 99.14 1.05e-76 . . . . 16835 1 21 no SP A6ZKM4 . "RecName: Full=Autophagy-related protein 8; AltName: Full=Autophagy-related ubiquitin-like modifier ATG8; AltName: Full=Cytoplas" . . . . . 100.00 117 99.14 99.14 1.05e-76 . . . . 16835 1 22 no SP P38182 . "RecName: Full=Autophagy-related protein 8; AltName: Full=Autophagy-related ubiquitin-like modifier ATG8; AltName: Full=Cytoplas" . . . . . 100.00 117 99.14 99.14 1.05e-76 . . . . 16835 1 23 no TPG DAA07045 . "TPA: ubiquitin-like protein ATG8 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 117 99.14 99.14 1.05e-76 . . . . 16835 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 . 16835 1 2 . LYS . 16835 1 3 . SER . 16835 1 4 . THR . 16835 1 5 . PHE . 16835 1 6 . LYS . 16835 1 7 . SER . 16835 1 8 . GLU . 16835 1 9 . TYR . 16835 1 10 . PRO . 16835 1 11 . PHE . 16835 1 12 . GLU . 16835 1 13 . LYS . 16835 1 14 . ARG . 16835 1 15 . LYS . 16835 1 16 . ALA . 16835 1 17 . GLU . 16835 1 18 . SER . 16835 1 19 . GLU . 16835 1 20 . ARG . 16835 1 21 . ILE . 16835 1 22 . ALA . 16835 1 23 . ASP . 16835 1 24 . ARG . 16835 1 25 . PHE . 16835 1 26 . PRO . 16835 1 27 . ASN . 16835 1 28 . ARG . 16835 1 29 . ILE . 16835 1 30 . PRO . 16835 1 31 . VAL . 16835 1 32 . ILE . 16835 1 33 . CYS . 16835 1 34 . GLU . 16835 1 35 . LYS . 16835 1 36 . ALA . 16835 1 37 . GLU . 16835 1 38 . LYS . 16835 1 39 . SER . 16835 1 40 . ASP . 16835 1 41 . ILE . 16835 1 42 . PRO . 16835 1 43 . GLU . 16835 1 44 . ILE . 16835 1 45 . ASP . 16835 1 46 . LYS . 16835 1 47 . ARG . 16835 1 48 . LYS . 16835 1 49 . TYR . 16835 1 50 . LEU . 16835 1 51 . VAL . 16835 1 52 . PRO . 16835 1 53 . ALA . 16835 1 54 . ASP . 16835 1 55 . LEU . 16835 1 56 . THR . 16835 1 57 . VAL . 16835 1 58 . GLY . 16835 1 59 . GLN . 16835 1 60 . PHE . 16835 1 61 . VAL . 16835 1 62 . TYR . 16835 1 63 . VAL . 16835 1 64 . ILE . 16835 1 65 . ARG . 16835 1 66 . LYS . 16835 1 67 . ARG . 16835 1 68 . ILE . 16835 1 69 . MET . 16835 1 70 . LEU . 16835 1 71 . PRO . 16835 1 72 . PRO . 16835 1 73 . GLU . 16835 1 74 . LYS . 16835 1 75 . ALA . 16835 1 76 . ILE . 16835 1 77 . PHE . 16835 1 78 . ILE . 16835 1 79 . PHE . 16835 1 80 . VAL . 16835 1 81 . ASN . 16835 1 82 . ASP . 16835 1 83 . THR . 16835 1 84 . LEU . 16835 1 85 . PRO . 16835 1 86 . PRO . 16835 1 87 . THR . 16835 1 88 . ALA . 16835 1 89 . ALA . 16835 1 90 . LEU . 16835 1 91 . MET . 16835 1 92 . SER . 16835 1 93 . ALA . 16835 1 94 . ILE . 16835 1 95 . TYR . 16835 1 96 . GLN . 16835 1 97 . GLU . 16835 1 98 . HIS . 16835 1 99 . LYS . 16835 1 100 . ASP . 16835 1 101 . LYS . 16835 1 102 . ASP . 16835 1 103 . GLY . 16835 1 104 . PHE . 16835 1 105 . LEU . 16835 1 106 . TYR . 16835 1 107 . VAL . 16835 1 108 . THR . 16835 1 109 . TYR . 16835 1 110 . SER . 16835 1 111 . GLY . 16835 1 112 . GLU . 16835 1 113 . ASN . 16835 1 114 . THR . 16835 1 115 . PHE . 16835 1 116 . GLY . 16835 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 16835 1 . LYS 2 2 16835 1 . SER 3 3 16835 1 . THR 4 4 16835 1 . PHE 5 5 16835 1 . LYS 6 6 16835 1 . SER 7 7 16835 1 . GLU 8 8 16835 1 . TYR 9 9 16835 1 . PRO 10 10 16835 1 . PHE 11 11 16835 1 . GLU 12 12 16835 1 . LYS 13 13 16835 1 . ARG 14 14 16835 1 . LYS 15 15 16835 1 . ALA 16 16 16835 1 . GLU 17 17 16835 1 . SER 18 18 16835 1 . GLU 19 19 16835 1 . ARG 20 20 16835 1 . ILE 21 21 16835 1 . ALA 22 22 16835 1 . ASP 23 23 16835 1 . ARG 24 24 16835 1 . PHE 25 25 16835 1 . PRO 26 26 16835 1 . ASN 27 27 16835 1 . ARG 28 28 16835 1 . ILE 29 29 16835 1 . PRO 30 30 16835 1 . VAL 31 31 16835 1 . ILE 32 32 16835 1 . CYS 33 33 16835 1 . GLU 34 34 16835 1 . LYS 35 35 16835 1 . ALA 36 36 16835 1 . GLU 37 37 16835 1 . LYS 38 38 16835 1 . SER 39 39 16835 1 . ASP 40 40 16835 1 . ILE 41 41 16835 1 . PRO 42 42 16835 1 . GLU 43 43 16835 1 . ILE 44 44 16835 1 . ASP 45 45 16835 1 . LYS 46 46 16835 1 . ARG 47 47 16835 1 . LYS 48 48 16835 1 . TYR 49 49 16835 1 . LEU 50 50 16835 1 . VAL 51 51 16835 1 . PRO 52 52 16835 1 . ALA 53 53 16835 1 . ASP 54 54 16835 1 . LEU 55 55 16835 1 . THR 56 56 16835 1 . VAL 57 57 16835 1 . GLY 58 58 16835 1 . GLN 59 59 16835 1 . PHE 60 60 16835 1 . VAL 61 61 16835 1 . TYR 62 62 16835 1 . VAL 63 63 16835 1 . ILE 64 64 16835 1 . ARG 65 65 16835 1 . LYS 66 66 16835 1 . ARG 67 67 16835 1 . ILE 68 68 16835 1 . MET 69 69 16835 1 . LEU 70 70 16835 1 . PRO 71 71 16835 1 . PRO 72 72 16835 1 . GLU 73 73 16835 1 . LYS 74 74 16835 1 . ALA 75 75 16835 1 . ILE 76 76 16835 1 . PHE 77 77 16835 1 . ILE 78 78 16835 1 . PHE 79 79 16835 1 . VAL 80 80 16835 1 . ASN 81 81 16835 1 . ASP 82 82 16835 1 . THR 83 83 16835 1 . LEU 84 84 16835 1 . PRO 85 85 16835 1 . PRO 86 86 16835 1 . THR 87 87 16835 1 . ALA 88 88 16835 1 . ALA 89 89 16835 1 . LEU 90 90 16835 1 . MET 91 91 16835 1 . SER 92 92 16835 1 . ALA 93 93 16835 1 . ILE 94 94 16835 1 . TYR 95 95 16835 1 . GLN 96 96 16835 1 . GLU 97 97 16835 1 . HIS 98 98 16835 1 . LYS 99 99 16835 1 . ASP 100 100 16835 1 . LYS 101 101 16835 1 . ASP 102 102 16835 1 . GLY 103 103 16835 1 . PHE 104 104 16835 1 . LEU 105 105 16835 1 . TYR 106 106 16835 1 . VAL 107 107 16835 1 . THR 108 108 16835 1 . TYR 109 109 16835 1 . SER 110 110 16835 1 . GLY 111 111 16835 1 . GLU 112 112 16835 1 . ASN 113 113 16835 1 . THR 114 114 16835 1 . PHE 115 115 16835 1 . GLY 116 116 16835 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 16835 _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 $Atg8_K26P . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 16835 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 16835 _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 $Atg8_K26P . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX6p . . . . . . 16835 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CN-label _Sample.Sf_category sample _Sample.Sf_framecode CN-label _Sample.Entry_ID 16835 _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 'Atg8 K26P' '[U-99% 13C; U-99% 15N]' . . 1 $Atg8_K26P . . 0.6 . . mM . . . . 16835 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16835 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16835 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 16835 _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' 170 . mM 16835 1 pH 6.8 . pH 16835 1 pressure 1 . atm 16835 1 temperature 297 . K 16835 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16835 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16835 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16835 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16835 _Software.ID 2 _Software.Name NMRPipe _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16835 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16835 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16835 _Software.ID 3 _Software.Name TALOS _Software.Version 2007.068.09.07 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16835 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16835 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16835 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16835 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16835 4 'peak picking' 16835 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16835 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16835 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16835 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16835 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16835 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16835 _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 Varian INOVA . 800 . . . 16835 1 2 spectrometer_2 Varian INOVA . 600 . . . 16835 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 16835 _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 $CN-label isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16835 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $CN-label isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16835 1 3 '3D HNCO' no . . . . . . . . . . 1 $CN-label isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16835 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $CN-label isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16835 1 5 '3D HNCA' no . . . . . . . . . . 1 $CN-label isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16835 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $CN-label isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16835 1 7 '3D HN(CA)HA' no . . . . . . . . . . 1 $CN-label isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16835 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $CN-label isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16835 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $CN-label isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16835 1 10 '3D CCH-TOCSY' no . . . . . . . . . . 1 $CN-label isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16835 1 11 '2D HbCbCgCdHd' no . . . . . . . . . . 1 $CN-label isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16835 1 12 '2D HbCbCgCdCeHe' no . . . . . . . . . . 1 $CN-label isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16835 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $CN-label isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16835 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $CN-label isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16835 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 16835 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16835 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16835 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16835 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16835 _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' . . . 16835 1 2 '2D 1H-13C HSQC' . . . 16835 1 13 '3D 1H-15N NOESY' . . . 16835 1 14 '3D 1H-13C NOESY' . . . 16835 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 H H 1 8.372 0.000 . 1 . . . . 1 M HN . 16835 1 2 . 1 1 1 1 MET HA H 1 4.435 0.000 . 1 . . . . 1 M HA . 16835 1 3 . 1 1 1 1 MET HB2 H 1 1.978 0.000 . 2 . . . . 1 M HB2 . 16835 1 4 . 1 1 1 1 MET HB3 H 1 2.035 0.000 . 2 . . . . 1 M HB3 . 16835 1 5 . 1 1 1 1 MET HE1 H 1 2.053 0.000 . . . . . . 1 M QE . 16835 1 6 . 1 1 1 1 MET HE2 H 1 2.053 0.000 . . . . . . 1 M QE . 16835 1 7 . 1 1 1 1 MET HE3 H 1 2.053 0.000 . . . . . . 1 M QE . 16835 1 8 . 1 1 1 1 MET HG2 H 1 2.508 0.000 . 2 . . . . 1 M QG . 16835 1 9 . 1 1 1 1 MET HG3 H 1 2.508 0.000 . 2 . . . . 1 M QG . 16835 1 10 . 1 1 1 1 MET C C 13 175.631 0.000 . 1 . . . . 1 M C . 16835 1 11 . 1 1 1 1 MET CA C 13 55.501 0.000 . 1 . . . . 1 M CA . 16835 1 12 . 1 1 1 1 MET CB C 13 33.171 0.010 . 1 . . . . 1 M CB . 16835 1 13 . 1 1 1 1 MET CE C 13 17.235 0.000 . 1 . . . . 1 M CE . 16835 1 14 . 1 1 1 1 MET CG C 13 31.912 0.000 . 1 . . . . 1 M CG . 16835 1 15 . 1 1 1 1 MET N N 15 122.398 0.000 . 1 . . . . 1 M N . 16835 1 16 . 1 1 2 2 LYS H H 1 8.480 0.000 . 1 . . . . 2 K HN . 16835 1 17 . 1 1 2 2 LYS HA H 1 4.315 0.000 . 1 . . . . 2 K HA . 16835 1 18 . 1 1 2 2 LYS HB2 H 1 1.816 0.000 . 2 . . . . 2 K HB2 . 16835 1 19 . 1 1 2 2 LYS HB3 H 1 1.753 0.000 . 2 . . . . 2 K HB3 . 16835 1 20 . 1 1 2 2 LYS HD2 H 1 1.687 0.000 . 2 . . . . 2 K QD . 16835 1 21 . 1 1 2 2 LYS HD3 H 1 1.687 0.000 . 2 . . . . 2 K QD . 16835 1 22 . 1 1 2 2 LYS HE2 H 1 2.990 0.000 . 2 . . . . 2 K QE . 16835 1 23 . 1 1 2 2 LYS HE3 H 1 2.990 0.000 . 2 . . . . 2 K QE . 16835 1 24 . 1 1 2 2 LYS HG2 H 1 1.403 0.000 . 2 . . . . 2 K HG2 . 16835 1 25 . 1 1 2 2 LYS HG3 H 1 1.444 0.000 . 2 . . . . 2 K HG3 . 16835 1 26 . 1 1 2 2 LYS C C 13 176.146 0.000 . 1 . . . . 2 K C . 16835 1 27 . 1 1 2 2 LYS CA C 13 56.328 0.000 . 1 . . . . 2 K CA . 16835 1 28 . 1 1 2 2 LYS CB C 13 33.204 0.000 . 1 . . . . 2 K CB . 16835 1 29 . 1 1 2 2 LYS CD C 13 29.168 0.000 . 1 . . . . 2 K CD . 16835 1 30 . 1 1 2 2 LYS CE C 13 42.143 0.000 . 1 . . . . 2 K CE . 16835 1 31 . 1 1 2 2 LYS CG C 13 24.730 0.003 . 1 . . . . 2 K CG . 16835 1 32 . 1 1 2 2 LYS N N 15 123.808 0.000 . 1 . . . . 2 K N . 16835 1 33 . 1 1 3 3 SER H H 1 8.365 0.000 . 1 . . . . 3 S HN . 16835 1 34 . 1 1 3 3 SER HA H 1 4.667 0.000 . 1 . . . . 3 S HA . 16835 1 35 . 1 1 3 3 SER HB2 H 1 3.930 0.000 . 2 . . . . 3 S HB2 . 16835 1 36 . 1 1 3 3 SER HB3 H 1 3.671 0.000 . 2 . . . . 3 S HB3 . 16835 1 37 . 1 1 3 3 SER CA C 13 57.576 0.000 . 1 . . . . 3 S CA . 16835 1 38 . 1 1 3 3 SER CB C 13 64.164 0.010 . 1 . . . . 3 S CB . 16835 1 39 . 1 1 3 3 SER N N 15 117.904 0.000 . 1 . . . . 3 S N . 16835 1 40 . 1 1 4 4 THR H H 1 9.732 0.000 . 1 . . . . 4 T HN . 16835 1 41 . 1 1 4 4 THR HA H 1 4.407 0.000 . 1 . . . . 4 T HA . 16835 1 42 . 1 1 4 4 THR HB H 1 4.652 0.000 . 1 . . . . 4 T HB . 16835 1 43 . 1 1 4 4 THR HG21 H 1 1.307 0.000 . . . . . . 4 T QG2 . 16835 1 44 . 1 1 4 4 THR HG22 H 1 1.307 0.000 . . . . . . 4 T QG2 . 16835 1 45 . 1 1 4 4 THR HG23 H 1 1.307 0.000 . . . . . . 4 T QG2 . 16835 1 46 . 1 1 4 4 THR C C 13 174.191 0.000 . 1 . . . . 4 T C . 16835 1 47 . 1 1 4 4 THR CA C 13 62.943 0.000 . 1 . . . . 4 T CA . 16835 1 48 . 1 1 4 4 THR CB C 13 69.891 0.000 . 1 . . . . 4 T CB . 16835 1 49 . 1 1 4 4 THR CG2 C 13 22.162 0.000 . 1 . . . . 4 T CG2 . 16835 1 50 . 1 1 4 4 THR N N 15 127.237 0.000 . 1 . . . . 4 T N . 16835 1 51 . 1 1 5 5 PHE H H 1 8.817 0.000 . 1 . . . . 5 F HN . 16835 1 52 . 1 1 5 5 PHE HA H 1 4.237 0.000 . 1 . . . . 5 F HA . 16835 1 53 . 1 1 5 5 PHE HB2 H 1 3.007 0.000 . 2 . . . . 5 F HB2 . 16835 1 54 . 1 1 5 5 PHE HB3 H 1 3.122 0.000 . 2 . . . . 5 F HB3 . 16835 1 55 . 1 1 5 5 PHE HD1 H 1 7.324 0.000 . 3 . . . . 5 F QD . 16835 1 56 . 1 1 5 5 PHE HD2 H 1 7.324 0.000 . 3 . . . . 5 F QD . 16835 1 57 . 1 1 5 5 PHE HZ H 1 6.525 0.000 . 1 . . . . 5 F HZ . 16835 1 58 . 1 1 5 5 PHE CA C 13 62.802 0.000 . 1 . . . . 5 F CA . 16835 1 59 . 1 1 5 5 PHE CB C 13 40.824 0.000 . 1 . . . . 5 F CB . 16835 1 60 . 1 1 5 5 PHE CD1 C 13 131.305 0.000 . 3 . . . . 5 F CD1 . 16835 1 61 . 1 1 5 5 PHE CZ C 13 128.917 0.000 . 1 . . . . 5 F CZ . 16835 1 62 . 1 1 5 5 PHE N N 15 120.694 0.000 . 1 . . . . 5 F N . 16835 1 63 . 1 1 6 6 LYS H H 1 8.339 0.000 . 1 . . . . 6 K HN . 16835 1 64 . 1 1 6 6 LYS HA H 1 3.957 0.000 . 1 . . . . 6 K HA . 16835 1 65 . 1 1 6 6 LYS HB2 H 1 1.734 0.000 . 2 . . . . 6 K HB2 . 16835 1 66 . 1 1 6 6 LYS HB3 H 1 1.784 0.000 . 2 . . . . 6 K HB3 . 16835 1 67 . 1 1 6 6 LYS HD2 H 1 1.432 0.000 . 2 . . . . 6 K HD2 . 16835 1 68 . 1 1 6 6 LYS HD3 H 1 1.540 0.000 . 2 . . . . 6 K HD3 . 16835 1 69 . 1 1 6 6 LYS HE2 H 1 2.060 0.000 . 2 . . . . 6 K HE2 . 16835 1 70 . 1 1 6 6 LYS HE3 H 1 2.614 0.000 . 2 . . . . 6 K HE3 . 16835 1 71 . 1 1 6 6 LYS HG2 H 1 1.289 0.000 . 2 . . . . 6 K HG2 . 16835 1 72 . 1 1 6 6 LYS HG3 H 1 1.774 0.000 . 2 . . . . 6 K HG3 . 16835 1 73 . 1 1 6 6 LYS CA C 13 59.830 0.000 . 1 . . . . 6 K CA . 16835 1 74 . 1 1 6 6 LYS CB C 13 33.597 0.020 . 1 . . . . 6 K CB . 16835 1 75 . 1 1 6 6 LYS CD C 13 30.799 0.007 . 1 . . . . 6 K CD . 16835 1 76 . 1 1 6 6 LYS CE C 13 41.763 0.004 . 1 . . . . 6 K CE . 16835 1 77 . 1 1 6 6 LYS CG C 13 27.001 0.020 . 1 . . . . 6 K CG . 16835 1 78 . 1 1 6 6 LYS N N 15 114.058 0.000 . 1 . . . . 6 K N . 16835 1 79 . 1 1 7 7 SER H H 1 7.609 0.000 . 1 . . . . 7 S HN . 16835 1 80 . 1 1 7 7 SER HA H 1 4.278 0.000 . 1 . . . . 7 S HA . 16835 1 81 . 1 1 7 7 SER HB2 H 1 3.868 0.000 . 2 . . . . 7 S HB2 . 16835 1 82 . 1 1 7 7 SER HB3 H 1 3.982 0.000 . 2 . . . . 7 S HB3 . 16835 1 83 . 1 1 7 7 SER C C 13 175.642 0.000 . 1 . . . . 7 S C . 16835 1 84 . 1 1 7 7 SER CA C 13 60.101 0.000 . 1 . . . . 7 S CA . 16835 1 85 . 1 1 7 7 SER CB C 13 63.653 0.007 . 1 . . . . 7 S CB . 16835 1 86 . 1 1 7 7 SER N N 15 111.673 0.000 . 1 . . . . 7 S N . 16835 1 87 . 1 1 8 8 GLU H H 1 7.857 0.000 . 1 . . . . 8 E HN . 16835 1 88 . 1 1 8 8 GLU HA H 1 3.860 0.000 . 1 . . . . 8 E HA . 16835 1 89 . 1 1 8 8 GLU HB2 H 1 1.405 0.000 . 2 . . . . 8 E HB2 . 16835 1 90 . 1 1 8 8 GLU HB3 H 1 1.789 0.000 . 2 . . . . 8 E HB3 . 16835 1 91 . 1 1 8 8 GLU HG2 H 1 1.700 0.000 . 2 . . . . 8 E HG2 . 16835 1 92 . 1 1 8 8 GLU HG3 H 1 2.084 0.000 . 2 . . . . 8 E HG3 . 16835 1 93 . 1 1 8 8 GLU C C 13 178.947 0.000 . 1 . . . . 8 E C . 16835 1 94 . 1 1 8 8 GLU CA C 13 57.935 0.000 . 1 . . . . 8 E CA . 16835 1 95 . 1 1 8 8 GLU CB C 13 31.185 0.006 . 1 . . . . 8 E CB . 16835 1 96 . 1 1 8 8 GLU CG C 13 36.287 0.013 . 1 . . . . 8 E CG . 16835 1 97 . 1 1 8 8 GLU N N 15 121.931 0.000 . 1 . . . . 8 E N . 16835 1 98 . 1 1 9 9 TYR H H 1 7.219 0.000 . 1 . . . . 9 Y HN . 16835 1 99 . 1 1 9 9 TYR HA H 1 4.987 0.000 . 1 . . . . 9 Y HA . 16835 1 100 . 1 1 9 9 TYR HB2 H 1 2.102 0.000 . 2 . . . . 9 Y HB2 . 16835 1 101 . 1 1 9 9 TYR HB3 H 1 2.524 0.000 . 2 . . . . 9 Y HB3 . 16835 1 102 . 1 1 9 9 TYR HD1 H 1 6.656 0.004 . 3 . . . . 9 Y QD . 16835 1 103 . 1 1 9 9 TYR HD2 H 1 6.656 0.004 . 3 . . . . 9 Y QD . 16835 1 104 . 1 1 9 9 TYR HE1 H 1 6.725 0.000 . 3 . . . . 9 Y QE . 16835 1 105 . 1 1 9 9 TYR HE2 H 1 6.725 0.000 . 3 . . . . 9 Y QE . 16835 1 106 . 1 1 9 9 TYR CA C 13 54.127 0.000 . 1 . . . . 9 Y CA . 16835 1 107 . 1 1 9 9 TYR CB C 13 40.804 0.046 . 1 . . . . 9 Y CB . 16835 1 108 . 1 1 9 9 TYR CD1 C 13 133.639 0.000 . 3 . . . . 9 Y CD1 . 16835 1 109 . 1 1 9 9 TYR CE1 C 13 118.373 0.000 . 3 . . . . 9 Y CE1 . 16835 1 110 . 1 1 9 9 TYR N N 15 115.971 0.000 . 1 . . . . 9 Y N . 16835 1 111 . 1 1 10 10 PRO HA H 1 4.717 0.000 . 1 . . . . 10 P HA . 16835 1 112 . 1 1 10 10 PRO HB2 H 1 2.152 0.000 . 2 . . . . 10 P HB2 . 16835 1 113 . 1 1 10 10 PRO HB3 H 1 2.602 0.000 . 2 . . . . 10 P HB3 . 16835 1 114 . 1 1 10 10 PRO HD2 H 1 3.677 0.000 . 2 . . . . 10 P HD2 . 16835 1 115 . 1 1 10 10 PRO HD3 H 1 4.004 0.000 . 2 . . . . 10 P HD3 . 16835 1 116 . 1 1 10 10 PRO HG2 H 1 2.212 0.000 . 2 . . . . 10 P QG . 16835 1 117 . 1 1 10 10 PRO HG3 H 1 2.212 0.000 . 2 . . . . 10 P QG . 16835 1 118 . 1 1 10 10 PRO C C 13 177.272 0.078 . 1 . . . . 10 P C . 16835 1 119 . 1 1 10 10 PRO CA C 13 62.211 0.000 . 1 . . . . 10 P CA . 16835 1 120 . 1 1 10 10 PRO CB C 13 33.078 0.019 . 1 . . . . 10 P CB . 16835 1 121 . 1 1 10 10 PRO CD C 13 51.212 0.004 . 1 . . . . 10 P CD . 16835 1 122 . 1 1 10 10 PRO CG C 13 27.693 0.000 . 1 . . . . 10 P CG . 16835 1 123 . 1 1 11 11 PHE H H 1 9.356 0.000 . 1 . . . . 11 F HN . 16835 1 124 . 1 1 11 11 PHE HA H 1 3.883 0.000 . 1 . . . . 11 F HA . 16835 1 125 . 1 1 11 11 PHE HB2 H 1 3.028 0.000 . 2 . . . . 11 F HB2 . 16835 1 126 . 1 1 11 11 PHE HB3 H 1 3.461 0.000 . 2 . . . . 11 F HB3 . 16835 1 127 . 1 1 11 11 PHE HD1 H 1 7.347 0.003 . 3 . . . . 11 F QD . 16835 1 128 . 1 1 11 11 PHE HD2 H 1 7.347 0.003 . 3 . . . . 11 F QD . 16835 1 129 . 1 1 11 11 PHE HE1 H 1 7.237 0.017 . 3 . . . . 11 F QE . 16835 1 130 . 1 1 11 11 PHE HE2 H 1 7.237 0.017 . 3 . . . . 11 F QE . 16835 1 131 . 1 1 11 11 PHE CA C 13 63.215 0.000 . 1 . . . . 11 F CA . 16835 1 132 . 1 1 11 11 PHE CB C 13 39.955 0.037 . 1 . . . . 11 F CB . 16835 1 133 . 1 1 11 11 PHE CD1 C 13 132.336 0.000 . 3 . . . . 11 F CD1 . 16835 1 134 . 1 1 11 11 PHE CE1 C 13 130.976 0.000 . 3 . . . . 11 F CE1 . 16835 1 135 . 1 1 11 11 PHE N N 15 125.132 0.000 . 1 . . . . 11 F N . 16835 1 136 . 1 1 12 12 GLU H H 1 9.745 0.000 . 1 . . . . 12 E HN . 16835 1 137 . 1 1 12 12 GLU HA H 1 3.851 0.000 . 1 . . . . 12 E HA . 16835 1 138 . 1 1 12 12 GLU HB2 H 1 2.123 0.000 . 2 . . . . 12 E QB . 16835 1 139 . 1 1 12 12 GLU HB3 H 1 2.123 0.000 . 2 . . . . 12 E QB . 16835 1 140 . 1 1 12 12 GLU HG2 H 1 2.494 0.000 . 2 . . . . 12 E QG . 16835 1 141 . 1 1 12 12 GLU HG3 H 1 2.494 0.000 . 2 . . . . 12 E QG . 16835 1 142 . 1 1 12 12 GLU CA C 13 60.136 0.000 . 1 . . . . 12 E CA . 16835 1 143 . 1 1 12 12 GLU CB C 13 28.677 0.000 . 1 . . . . 12 E CB . 16835 1 144 . 1 1 12 12 GLU CG C 13 36.696 0.000 . 1 . . . . 12 E CG . 16835 1 145 . 1 1 12 12 GLU N N 15 115.384 0.000 . 1 . . . . 12 E N . 16835 1 146 . 1 1 13 13 LYS H H 1 7.187 0.000 . 1 . . . . 13 K HN . 16835 1 147 . 1 1 13 13 LYS HA H 1 4.243 0.000 . 1 . . . . 13 K HA . 16835 1 148 . 1 1 13 13 LYS HB2 H 1 1.987 0.000 . 2 . . . . 13 K QB . 16835 1 149 . 1 1 13 13 LYS HB3 H 1 1.987 0.000 . 2 . . . . 13 K QB . 16835 1 150 . 1 1 13 13 LYS HD2 H 1 1.751 0.000 . 2 . . . . 13 K QD . 16835 1 151 . 1 1 13 13 LYS HD3 H 1 1.751 0.000 . 2 . . . . 13 K QD . 16835 1 152 . 1 1 13 13 LYS HE2 H 1 3.012 0.000 . 2 . . . . 13 K QE . 16835 1 153 . 1 1 13 13 LYS HE3 H 1 3.012 0.000 . 2 . . . . 13 K QE . 16835 1 154 . 1 1 13 13 LYS HG2 H 1 1.512 0.000 . 2 . . . . 13 K HG2 . 16835 1 155 . 1 1 13 13 LYS HG3 H 1 1.627 0.000 . 2 . . . . 13 K HG3 . 16835 1 156 . 1 1 13 13 LYS CA C 13 58.108 0.000 . 1 . . . . 13 K CA . 16835 1 157 . 1 1 13 13 LYS CB C 13 32.588 0.000 . 1 . . . . 13 K CB . 16835 1 158 . 1 1 13 13 LYS CD C 13 29.053 0.000 . 1 . . . . 13 K CD . 16835 1 159 . 1 1 13 13 LYS CE C 13 42.148 0.000 . 1 . . . . 13 K CE . 16835 1 160 . 1 1 13 13 LYS CG C 13 25.427 0.019 . 1 . . . . 13 K CG . 16835 1 161 . 1 1 13 13 LYS N N 15 118.364 0.000 . 1 . . . . 13 K N . 16835 1 162 . 1 1 14 14 ARG H H 1 7.753 0.000 . 1 . . . . 14 R HN . 16835 1 163 . 1 1 14 14 ARG HA H 1 4.012 0.000 . 1 . . . . 14 R HA . 16835 1 164 . 1 1 14 14 ARG C C 13 177.034 0.000 . 1 . . . . 14 R C . 16835 1 165 . 1 1 14 14 ARG CA C 13 61.210 0.000 . 1 . . . . 14 R CA . 16835 1 166 . 1 1 14 14 ARG N N 15 121.856 0.000 . 1 . . . . 14 R N . 16835 1 167 . 1 1 15 15 LYS H H 1 8.606 0.000 . 1 . . . . 15 K HN . 16835 1 168 . 1 1 15 15 LYS HA H 1 4.427 0.000 . 1 . . . . 15 K HA . 16835 1 169 . 1 1 15 15 LYS HB2 H 1 0.937 0.000 . 2 . . . . 15 K HB2 . 16835 1 170 . 1 1 15 15 LYS HB3 H 1 1.531 0.000 . 2 . . . . 15 K HB3 . 16835 1 171 . 1 1 15 15 LYS HD2 H 1 1.623 0.000 . 2 . . . . 15 K HD2 . 16835 1 172 . 1 1 15 15 LYS HD3 H 1 1.707 0.000 . 2 . . . . 15 K HD3 . 16835 1 173 . 1 1 15 15 LYS HE2 H 1 3.024 0.000 . 2 . . . . 15 K HE2 . 16835 1 174 . 1 1 15 15 LYS HE3 H 1 3.077 0.000 . 2 . . . . 15 K HE3 . 16835 1 175 . 1 1 15 15 LYS HG2 H 1 1.327 0.000 . 2 . . . . 15 K QG . 16835 1 176 . 1 1 15 15 LYS HG3 H 1 1.327 0.000 . 2 . . . . 15 K QG . 16835 1 177 . 1 1 15 15 LYS C C 13 177.799 0.000 . 1 . . . . 15 K C . 16835 1 178 . 1 1 15 15 LYS CA C 13 57.538 0.000 . 1 . . . . 15 K CA . 16835 1 179 . 1 1 15 15 LYS CB C 13 32.511 0.013 . 1 . . . . 15 K CB . 16835 1 180 . 1 1 15 15 LYS CD C 13 29.392 0.021 . 1 . . . . 15 K CD . 16835 1 181 . 1 1 15 15 LYS CE C 13 42.543 0.006 . 1 . . . . 15 K CE . 16835 1 182 . 1 1 15 15 LYS CG C 13 24.399 0.000 . 1 . . . . 15 K CG . 16835 1 183 . 1 1 15 15 LYS N N 15 119.111 0.000 . 1 . . . . 15 K N . 16835 1 184 . 1 1 16 16 ALA H H 1 7.296 0.000 . 1 . . . . 16 A HN . 16835 1 185 . 1 1 16 16 ALA HA H 1 4.154 0.000 . 1 . . . . 16 A HA . 16835 1 186 . 1 1 16 16 ALA HB1 H 1 1.510 0.000 . . . . . . 16 A QB . 16835 1 187 . 1 1 16 16 ALA HB2 H 1 1.510 0.000 . . . . . . 16 A QB . 16835 1 188 . 1 1 16 16 ALA HB3 H 1 1.510 0.000 . . . . . . 16 A QB . 16835 1 189 . 1 1 16 16 ALA C C 13 180.663 0.000 . 1 . . . . 16 A C . 16835 1 190 . 1 1 16 16 ALA CA C 13 54.681 0.000 . 1 . . . . 16 A CA . 16835 1 191 . 1 1 16 16 ALA CB C 13 18.172 0.000 . 1 . . . . 16 A CB . 16835 1 192 . 1 1 16 16 ALA N N 15 117.818 0.000 . 1 . . . . 16 A N . 16835 1 193 . 1 1 17 17 GLU H H 1 7.905 0.000 . 1 . . . . 17 E HN . 16835 1 194 . 1 1 17 17 GLU HA H 1 4.361 0.000 . 1 . . . . 17 E HA . 16835 1 195 . 1 1 17 17 GLU HB2 H 1 2.247 0.000 . 2 . . . . 17 E HB2 . 16835 1 196 . 1 1 17 17 GLU HB3 H 1 2.376 0.000 . 2 . . . . 17 E HB3 . 16835 1 197 . 1 1 17 17 GLU HG2 H 1 2.412 0.000 . 2 . . . . 17 E QG . 16835 1 198 . 1 1 17 17 GLU HG3 H 1 2.412 0.000 . 2 . . . . 17 E QG . 16835 1 199 . 1 1 17 17 GLU C C 13 178.676 0.000 . 1 . . . . 17 E C . 16835 1 200 . 1 1 17 17 GLU CA C 13 58.938 0.000 . 1 . . . . 17 E CA . 16835 1 201 . 1 1 17 17 GLU CB C 13 28.954 0.005 . 1 . . . . 17 E CB . 16835 1 202 . 1 1 17 17 GLU CG C 13 35.841 0.000 . 1 . . . . 17 E CG . 16835 1 203 . 1 1 17 17 GLU N N 15 119.458 0.000 . 1 . . . . 17 E N . 16835 1 204 . 1 1 18 18 SER H H 1 8.775 0.000 . 1 . . . . 18 S HN . 16835 1 205 . 1 1 18 18 SER HA H 1 3.531 0.000 . 1 . . . . 18 S HA . 16835 1 206 . 1 1 18 18 SER HB2 H 1 3.020 0.000 . 2 . . . . 18 S HB2 . 16835 1 207 . 1 1 18 18 SER HB3 H 1 3.293 0.000 . 2 . . . . 18 S HB3 . 16835 1 208 . 1 1 18 18 SER C C 13 178.114 0.000 . 1 . . . . 18 S C . 16835 1 209 . 1 1 18 18 SER CA C 13 62.003 0.000 . 1 . . . . 18 S CA . 16835 1 210 . 1 1 18 18 SER CB C 13 59.876 0.008 . 1 . . . . 18 S CB . 16835 1 211 . 1 1 18 18 SER N N 15 117.238 0.000 . 1 . . . . 18 S N . 16835 1 212 . 1 1 19 19 GLU H H 1 8.121 0.000 . 1 . . . . 19 E HN . 16835 1 213 . 1 1 19 19 GLU HA H 1 4.000 0.000 . 1 . . . . 19 E HA . 16835 1 214 . 1 1 19 19 GLU HB2 H 1 1.987 0.000 . 2 . . . . 19 E HB2 . 16835 1 215 . 1 1 19 19 GLU HB3 H 1 2.198 0.000 . 2 . . . . 19 E HB3 . 16835 1 216 . 1 1 19 19 GLU HG2 H 1 2.206 0.000 . 2 . . . . 19 E HG2 . 16835 1 217 . 1 1 19 19 GLU HG3 H 1 2.558 0.000 . 2 . . . . 19 E HG3 . 16835 1 218 . 1 1 19 19 GLU C C 13 178.886 0.000 . 1 . . . . 19 E C . 16835 1 219 . 1 1 19 19 GLU CA C 13 59.693 0.000 . 1 . . . . 19 E CA . 16835 1 220 . 1 1 19 19 GLU CB C 13 29.381 0.024 . 1 . . . . 19 E CB . 16835 1 221 . 1 1 19 19 GLU CG C 13 37.002 0.007 . 1 . . . . 19 E CG . 16835 1 222 . 1 1 19 19 GLU N N 15 124.518 0.000 . 1 . . . . 19 E N . 16835 1 223 . 1 1 20 20 ARG H H 1 7.856 0.000 . 1 . . . . 20 R HN . 16835 1 224 . 1 1 20 20 ARG HA H 1 4.140 0.000 . 1 . . . . 20 R HA . 16835 1 225 . 1 1 20 20 ARG HB2 H 1 2.040 0.000 . 2 . . . . 20 R QB . 16835 1 226 . 1 1 20 20 ARG HB3 H 1 2.040 0.000 . 2 . . . . 20 R QB . 16835 1 227 . 1 1 20 20 ARG HD2 H 1 3.191 0.000 . 2 . . . . 20 R HD2 . 16835 1 228 . 1 1 20 20 ARG HD3 H 1 3.325 0.000 . 2 . . . . 20 R HD3 . 16835 1 229 . 1 1 20 20 ARG HG2 H 1 1.563 0.000 . 2 . . . . 20 R HG2 . 16835 1 230 . 1 1 20 20 ARG HG3 H 1 1.786 0.000 . 2 . . . . 20 R HG3 . 16835 1 231 . 1 1 20 20 ARG C C 13 179.439 0.000 . 1 . . . . 20 R C . 16835 1 232 . 1 1 20 20 ARG CA C 13 59.335 0.000 . 1 . . . . 20 R CA . 16835 1 233 . 1 1 20 20 ARG CB C 13 30.246 0.000 . 1 . . . . 20 R CB . 16835 1 234 . 1 1 20 20 ARG CD C 13 43.407 0.025 . 1 . . . . 20 R CD . 16835 1 235 . 1 1 20 20 ARG CG C 13 27.529 0.010 . 1 . . . . 20 R CG . 16835 1 236 . 1 1 20 20 ARG N N 15 121.153 0.000 . 1 . . . . 20 R N . 16835 1 237 . 1 1 21 21 ILE H H 1 8.249 0.000 . 1 . . . . 21 I HN . 16835 1 238 . 1 1 21 21 ILE HA H 1 3.688 0.000 . 1 . . . . 21 I HA . 16835 1 239 . 1 1 21 21 ILE HB H 1 1.770 0.000 . 1 . . . . 21 I HB . 16835 1 240 . 1 1 21 21 ILE HD11 H 1 0.809 0.000 . . . . . . 21 I QD1 . 16835 1 241 . 1 1 21 21 ILE HD12 H 1 0.809 0.000 . . . . . . 21 I QD1 . 16835 1 242 . 1 1 21 21 ILE HD13 H 1 0.809 0.000 . . . . . . 21 I QD1 . 16835 1 243 . 1 1 21 21 ILE HG12 H 1 1.093 0.000 . 2 . . . . 21 I HG12 . 16835 1 244 . 1 1 21 21 ILE HG13 H 1 1.887 0.000 . 2 . . . . 21 I HG13 . 16835 1 245 . 1 1 21 21 ILE HG21 H 1 0.857 0.000 . . . . . . 21 I QG2 . 16835 1 246 . 1 1 21 21 ILE HG22 H 1 0.857 0.000 . . . . . . 21 I QG2 . 16835 1 247 . 1 1 21 21 ILE HG23 H 1 0.857 0.000 . . . . . . 21 I QG2 . 16835 1 248 . 1 1 21 21 ILE C C 13 176.904 0.000 . 1 . . . . 21 I C . 16835 1 249 . 1 1 21 21 ILE CA C 13 65.474 0.000 . 1 . . . . 21 I CA . 16835 1 250 . 1 1 21 21 ILE CB C 13 38.325 0.000 . 1 . . . . 21 I CB . 16835 1 251 . 1 1 21 21 ILE CD1 C 13 14.351 0.000 . 1 . . . . 21 I CD1 . 16835 1 252 . 1 1 21 21 ILE CG1 C 13 29.620 0.002 . 1 . . . . 21 I CG1 . 16835 1 253 . 1 1 21 21 ILE CG2 C 13 17.767 0.000 . 1 . . . . 21 I CG2 . 16835 1 254 . 1 1 21 21 ILE N N 15 120.442 0.000 . 1 . . . . 21 I N . 16835 1 255 . 1 1 22 22 ALA H H 1 7.936 0.000 . 1 . . . . 22 A HN . 16835 1 256 . 1 1 22 22 ALA HA H 1 4.080 0.000 . 1 . . . . 22 A HA . 16835 1 257 . 1 1 22 22 ALA HB1 H 1 1.458 0.000 . . . . . . 22 A QB . 16835 1 258 . 1 1 22 22 ALA HB2 H 1 1.458 0.000 . . . . . . 22 A QB . 16835 1 259 . 1 1 22 22 ALA HB3 H 1 1.458 0.000 . . . . . . 22 A QB . 16835 1 260 . 1 1 22 22 ALA C C 13 179.227 0.000 . 1 . . . . 22 A C . 16835 1 261 . 1 1 22 22 ALA CA C 13 54.486 0.000 . 1 . . . . 22 A CA . 16835 1 262 . 1 1 22 22 ALA CB C 13 18.033 0.000 . 1 . . . . 22 A CB . 16835 1 263 . 1 1 22 22 ALA N N 15 121.490 0.000 . 1 . . . . 22 A N . 16835 1 264 . 1 1 23 23 ASP H H 1 7.410 0.000 . 1 . . . . 23 D HN . 16835 1 265 . 1 1 23 23 ASP HA H 1 4.397 0.000 . 1 . . . . 23 D HA . 16835 1 266 . 1 1 23 23 ASP HB2 H 1 2.664 0.000 . 2 . . . . 23 D HB2 . 16835 1 267 . 1 1 23 23 ASP HB3 H 1 2.724 0.000 . 2 . . . . 23 D HB3 . 16835 1 268 . 1 1 23 23 ASP C C 13 177.375 0.000 . 1 . . . . 23 D C . 16835 1 269 . 1 1 23 23 ASP CA C 13 56.263 0.000 . 1 . . . . 23 D CA . 16835 1 270 . 1 1 23 23 ASP CB C 13 42.162 0.013 . 1 . . . . 23 D CB . 16835 1 271 . 1 1 23 23 ASP N N 15 114.936 0.000 . 1 . . . . 23 D N . 16835 1 272 . 1 1 24 24 ARG H H 1 7.800 0.000 . 1 . . . . 24 R HN . 16835 1 273 . 1 1 24 24 ARG HA H 1 3.920 0.000 . 1 . . . . 24 R HA . 16835 1 274 . 1 1 24 24 ARG HB2 H 1 1.155 0.000 . 2 . . . . 24 R HB2 . 16835 1 275 . 1 1 24 24 ARG HB3 H 1 1.459 0.000 . 2 . . . . 24 R HB3 . 16835 1 276 . 1 1 24 24 ARG HD2 H 1 2.952 0.000 . 2 . . . . 24 R HD2 . 16835 1 277 . 1 1 24 24 ARG HD3 H 1 2.989 0.000 . 2 . . . . 24 R HD3 . 16835 1 278 . 1 1 24 24 ARG HE H 1 7.421 0.000 . 1 . . . . 24 R HE . 16835 1 279 . 1 1 24 24 ARG HG2 H 1 1.165 0.000 . 2 . . . . 24 R HG2 . 16835 1 280 . 1 1 24 24 ARG HG3 H 1 1.263 0.000 . 2 . . . . 24 R HG3 . 16835 1 281 . 1 1 24 24 ARG C C 13 176.308 0.000 . 1 . . . . 24 R C . 16835 1 282 . 1 1 24 24 ARG CA C 13 57.146 0.000 . 1 . . . . 24 R CA . 16835 1 283 . 1 1 24 24 ARG CB C 13 31.615 0.000 . 1 . . . . 24 R CB . 16835 1 284 . 1 1 24 24 ARG CD C 13 43.032 0.019 . 1 . . . . 24 R CD . 16835 1 285 . 1 1 24 24 ARG CG C 13 26.912 0.008 . 1 . . . . 24 R CG . 16835 1 286 . 1 1 24 24 ARG N N 15 116.629 0.000 . 1 . . . . 24 R N . 16835 1 287 . 1 1 24 24 ARG NE N 15 117.576 0.000 . 1 . . . . 24 R NE . 16835 1 288 . 1 1 25 25 PHE H H 1 8.649 0.000 . 1 . . . . 25 F HN . 16835 1 289 . 1 1 25 25 PHE HA H 1 5.122 0.000 . 1 . . . . 25 F HA . 16835 1 290 . 1 1 25 25 PHE HB2 H 1 2.761 0.000 . 2 . . . . 25 F HB2 . 16835 1 291 . 1 1 25 25 PHE HB3 H 1 2.976 0.000 . 2 . . . . 25 F HB3 . 16835 1 292 . 1 1 25 25 PHE HD1 H 1 7.257 0.011 . 3 . . . . 25 F QD . 16835 1 293 . 1 1 25 25 PHE HD2 H 1 7.257 0.011 . 3 . . . . 25 F QD . 16835 1 294 . 1 1 25 25 PHE HE1 H 1 7.259 0.006 . 3 . . . . 25 F QE . 16835 1 295 . 1 1 25 25 PHE HE2 H 1 7.259 0.006 . 3 . . . . 25 F QE . 16835 1 296 . 1 1 25 25 PHE HZ H 1 7.174 0.000 . 1 . . . . 25 F HZ . 16835 1 297 . 1 1 25 25 PHE CA C 13 54.404 0.000 . 1 . . . . 25 F CA . 16835 1 298 . 1 1 25 25 PHE CB C 13 39.033 0.013 . 1 . . . . 25 F CB . 16835 1 299 . 1 1 25 25 PHE CD1 C 13 131.992 0.000 . 3 . . . . 25 F CD1 . 16835 1 300 . 1 1 25 25 PHE CE1 C 13 132.649 0.000 . 3 . . . . 25 F CE1 . 16835 1 301 . 1 1 25 25 PHE CZ C 13 129.516 0.000 . 1 . . . . 25 F CZ . 16835 1 302 . 1 1 25 25 PHE N N 15 116.955 0.000 . 1 . . . . 25 F N . 16835 1 303 . 1 1 26 26 PRO HA H 1 4.506 0.000 . 1 . . . . 26 P HA . 16835 1 304 . 1 1 26 26 PRO HB2 H 1 1.918 0.000 . 2 . . . . 26 P HB2 . 16835 1 305 . 1 1 26 26 PRO HB3 H 1 2.419 0.000 . 2 . . . . 26 P HB3 . 16835 1 306 . 1 1 26 26 PRO HD2 H 1 3.270 0.000 . 2 . . . . 26 P HD2 . 16835 1 307 . 1 1 26 26 PRO HD3 H 1 3.611 0.000 . 2 . . . . 26 P HD3 . 16835 1 308 . 1 1 26 26 PRO HG2 H 1 1.904 0.000 . 2 . . . . 26 P HG2 . 16835 1 309 . 1 1 26 26 PRO HG3 H 1 2.002 0.000 . 2 . . . . 26 P HG3 . 16835 1 310 . 1 1 26 26 PRO C C 13 177.541 0.000 . 1 . . . . 26 P C . 16835 1 311 . 1 1 26 26 PRO CA C 13 64.369 0.000 . 1 . . . . 26 P CA . 16835 1 312 . 1 1 26 26 PRO CB C 13 31.976 0.019 . 1 . . . . 26 P CB . 16835 1 313 . 1 1 26 26 PRO CD C 13 50.210 0.002 . 1 . . . . 26 P CD . 16835 1 314 . 1 1 26 26 PRO CG C 13 27.309 0.002 . 1 . . . . 26 P CG . 16835 1 315 . 1 1 27 27 ASN H H 1 8.547 0.000 . 1 . . . . 27 N HN . 16835 1 316 . 1 1 27 27 ASN HA H 1 4.755 0.000 . 1 . . . . 27 N HA . 16835 1 317 . 1 1 27 27 ASN HB2 H 1 2.984 0.000 . 2 . . . . 27 N QB . 16835 1 318 . 1 1 27 27 ASN HB3 H 1 2.984 0.000 . 2 . . . . 27 N QB . 16835 1 319 . 1 1 27 27 ASN HD21 H 1 7.003 0.002 . 2 . . . . 27 N HD21 . 16835 1 320 . 1 1 27 27 ASN HD22 H 1 7.625 0.001 . 2 . . . . 27 N HD22 . 16835 1 321 . 1 1 27 27 ASN C C 13 174.829 0.000 . 1 . . . . 27 N C . 16835 1 322 . 1 1 27 27 ASN CA C 13 53.065 0.000 . 1 . . . . 27 N CA . 16835 1 323 . 1 1 27 27 ASN CB C 13 38.403 0.000 . 1 . . . . 27 N CB . 16835 1 324 . 1 1 27 27 ASN CG C 13 178.025 0.010 . 1 . . . . 27 N CG . 16835 1 325 . 1 1 27 27 ASN N N 15 114.843 0.000 . 1 . . . . 27 N N . 16835 1 326 . 1 1 27 27 ASN ND2 N 15 113.391 0.000 . 1 . . . . 27 N ND2 . 16835 1 327 . 1 1 28 28 ARG H H 1 7.640 0.000 . 1 . . . . 28 R HN . 16835 1 328 . 1 1 28 28 ARG HA H 1 4.852 0.000 . 1 . . . . 28 R HA . 16835 1 329 . 1 1 28 28 ARG HB2 H 1 1.031 0.000 . 2 . . . . 28 R HB2 . 16835 1 330 . 1 1 28 28 ARG HB3 H 1 1.644 0.000 . 2 . . . . 28 R HB3 . 16835 1 331 . 1 1 28 28 ARG HD2 H 1 2.551 0.000 . 2 . . . . 28 R HD2 . 16835 1 332 . 1 1 28 28 ARG HD3 H 1 2.812 0.000 . 2 . . . . 28 R HD3 . 16835 1 333 . 1 1 28 28 ARG HG2 H 1 1.437 0.000 . 2 . . . . 28 R QG . 16835 1 334 . 1 1 28 28 ARG HG3 H 1 1.437 0.000 . 2 . . . . 28 R QG . 16835 1 335 . 1 1 28 28 ARG C C 13 174.323 0.000 . 1 . . . . 28 R C . 16835 1 336 . 1 1 28 28 ARG CA C 13 53.346 0.000 . 1 . . . . 28 R CA . 16835 1 337 . 1 1 28 28 ARG CB C 13 33.061 0.009 . 1 . . . . 28 R CB . 16835 1 338 . 1 1 28 28 ARG CD C 13 42.850 0.020 . 1 . . . . 28 R CD . 16835 1 339 . 1 1 28 28 ARG CG C 13 27.629 0.000 . 1 . . . . 28 R CG . 16835 1 340 . 1 1 28 28 ARG N N 15 117.556 0.000 . 1 . . . . 28 R N . 16835 1 341 . 1 1 29 29 ILE H H 1 9.295 0.000 . 1 . . . . 29 I HN . 16835 1 342 . 1 1 29 29 ILE HA H 1 4.123 0.000 . 1 . . . . 29 I HA . 16835 1 343 . 1 1 29 29 ILE HB H 1 1.471 0.000 . 1 . . . . 29 I HB . 16835 1 344 . 1 1 29 29 ILE HD11 H 1 0.359 0.000 . . . . . . 29 I QD1 . 16835 1 345 . 1 1 29 29 ILE HD12 H 1 0.359 0.000 . . . . . . 29 I QD1 . 16835 1 346 . 1 1 29 29 ILE HD13 H 1 0.359 0.000 . . . . . . 29 I QD1 . 16835 1 347 . 1 1 29 29 ILE HG12 H 1 0.942 0.000 . . . . . . 29 I QG1 . 16835 1 348 . 1 1 29 29 ILE HG13 H 1 0.942 0.000 . . . . . . 29 I QG1 . 16835 1 349 . 1 1 29 29 ILE HG21 H 1 0.254 0.000 . . . . . . 29 I QG2 . 16835 1 350 . 1 1 29 29 ILE HG22 H 1 0.254 0.000 . . . . . . 29 I QG2 . 16835 1 351 . 1 1 29 29 ILE HG23 H 1 0.254 0.000 . . . . . . 29 I QG2 . 16835 1 352 . 1 1 29 29 ILE CA C 13 55.709 0.000 . 1 . . . . 29 I CA . 16835 1 353 . 1 1 29 29 ILE CB C 13 38.889 0.000 . 1 . . . . 29 I CB . 16835 1 354 . 1 1 29 29 ILE CD1 C 13 11.908 0.000 . 1 . . . . 29 I CD1 . 16835 1 355 . 1 1 29 29 ILE CG1 C 13 26.698 0.000 . 1 . . . . 29 I CG1 . 16835 1 356 . 1 1 29 29 ILE CG2 C 13 16.984 0.000 . 1 . . . . 29 I CG2 . 16835 1 357 . 1 1 29 29 ILE N N 15 121.690 0.000 . 1 . . . . 29 I N . 16835 1 358 . 1 1 30 30 PRO HA H 1 4.881 0.000 . 1 . . . . 30 P HA . 16835 1 359 . 1 1 30 30 PRO HB2 H 1 1.504 0.000 . 2 . . . . 30 P HB2 . 16835 1 360 . 1 1 30 30 PRO HB3 H 1 1.916 0.000 . 2 . . . . 30 P HB3 . 16835 1 361 . 1 1 30 30 PRO HD2 H 1 3.248 0.000 . 2 . . . . 30 P HD2 . 16835 1 362 . 1 1 30 30 PRO HD3 H 1 3.472 0.000 . 2 . . . . 30 P HD3 . 16835 1 363 . 1 1 30 30 PRO HG2 H 1 1.688 0.000 . 2 . . . . 30 P HG2 . 16835 1 364 . 1 1 30 30 PRO HG3 H 1 2.438 0.000 . 2 . . . . 30 P HG3 . 16835 1 365 . 1 1 30 30 PRO C C 13 174.238 0.000 . 1 . . . . 30 P C . 16835 1 366 . 1 1 30 30 PRO CA C 13 61.671 0.000 . 1 . . . . 30 P CA . 16835 1 367 . 1 1 30 30 PRO CB C 13 30.980 0.011 . 1 . . . . 30 P CB . 16835 1 368 . 1 1 30 30 PRO CD C 13 50.252 0.027 . 1 . . . . 30 P CD . 16835 1 369 . 1 1 30 30 PRO CG C 13 26.717 0.014 . 1 . . . . 30 P CG . 16835 1 370 . 1 1 31 31 VAL H H 1 8.982 0.000 . 1 . . . . 31 V HN . 16835 1 371 . 1 1 31 31 VAL HA H 1 5.001 0.000 . 1 . . . . 31 V HA . 16835 1 372 . 1 1 31 31 VAL HB H 1 1.849 0.000 . 1 . . . . 31 V HB . 16835 1 373 . 1 1 31 31 VAL HG11 H 1 0.569 0.000 . . . . . . 31 V QG1 . 16835 1 374 . 1 1 31 31 VAL HG12 H 1 0.569 0.000 . . . . . . 31 V QG1 . 16835 1 375 . 1 1 31 31 VAL HG13 H 1 0.569 0.000 . . . . . . 31 V QG1 . 16835 1 376 . 1 1 31 31 VAL HG21 H 1 0.671 0.000 . . . . . . 31 V QG2 . 16835 1 377 . 1 1 31 31 VAL HG22 H 1 0.671 0.000 . . . . . . 31 V QG2 . 16835 1 378 . 1 1 31 31 VAL HG23 H 1 0.671 0.000 . . . . . . 31 V QG2 . 16835 1 379 . 1 1 31 31 VAL C C 13 174.349 0.000 . 1 . . . . 31 V C . 16835 1 380 . 1 1 31 31 VAL CA C 13 60.514 0.000 . 1 . . . . 31 V CA . 16835 1 381 . 1 1 31 31 VAL CB C 13 35.719 0.000 . 1 . . . . 31 V CB . 16835 1 382 . 1 1 31 31 VAL CG1 C 13 22.846 0.000 . 2 . . . . 31 V CG1 . 16835 1 383 . 1 1 31 31 VAL CG2 C 13 22.168 0.000 . 2 . . . . 31 V CG2 . 16835 1 384 . 1 1 31 31 VAL N N 15 126.862 0.000 . 1 . . . . 31 V N . 16835 1 385 . 1 1 32 32 ILE H H 1 8.817 0.000 . 1 . . . . 32 I HN . 16835 1 386 . 1 1 32 32 ILE HA H 1 4.830 0.000 . 1 . . . . 32 I HA . 16835 1 387 . 1 1 32 32 ILE HB H 1 1.376 0.000 . 1 . . . . 32 I HB . 16835 1 388 . 1 1 32 32 ILE HD11 H 1 -0.861 0.000 . . . . . . 32 I QD1 . 16835 1 389 . 1 1 32 32 ILE HD12 H 1 -0.861 0.000 . . . . . . 32 I QD1 . 16835 1 390 . 1 1 32 32 ILE HD13 H 1 -0.861 0.000 . . . . . . 32 I QD1 . 16835 1 391 . 1 1 32 32 ILE HG12 H 1 -0.105 0.000 . 2 . . . . 32 I HG12 . 16835 1 392 . 1 1 32 32 ILE HG13 H 1 0.468 0.000 . 2 . . . . 32 I HG13 . 16835 1 393 . 1 1 32 32 ILE HG21 H 1 0.550 0.000 . . . . . . 32 I QG2 . 16835 1 394 . 1 1 32 32 ILE HG22 H 1 0.550 0.000 . . . . . . 32 I QG2 . 16835 1 395 . 1 1 32 32 ILE HG23 H 1 0.550 0.000 . . . . . . 32 I QG2 . 16835 1 396 . 1 1 32 32 ILE C C 13 174.932 0.000 . 1 . . . . 32 I C . 16835 1 397 . 1 1 32 32 ILE CA C 13 56.488 0.000 . 1 . . . . 32 I CA . 16835 1 398 . 1 1 32 32 ILE CB C 13 35.995 0.000 . 1 . . . . 32 I CB . 16835 1 399 . 1 1 32 32 ILE CD1 C 13 7.593 0.000 . 1 . . . . 32 I CD1 . 16835 1 400 . 1 1 32 32 ILE CG1 C 13 25.211 0.007 . 1 . . . . 32 I CG1 . 16835 1 401 . 1 1 32 32 ILE CG2 C 13 16.898 0.000 . 1 . . . . 32 I CG2 . 16835 1 402 . 1 1 32 32 ILE N N 15 127.606 0.000 . 1 . . . . 32 I N . 16835 1 403 . 1 1 33 33 CYS H H 1 9.587 0.000 . 1 . . . . 33 C HN . 16835 1 404 . 1 1 33 33 CYS HA H 1 5.526 0.000 . 1 . . . . 33 C HA . 16835 1 405 . 1 1 33 33 CYS HB2 H 1 2.384 0.000 . 2 . . . . 33 C HB2 . 16835 1 406 . 1 1 33 33 CYS HB3 H 1 3.093 0.000 . 2 . . . . 33 C HB3 . 16835 1 407 . 1 1 33 33 CYS HG H 1 1.299 0.000 . 1 . . . . 33 C HG . 16835 1 408 . 1 1 33 33 CYS C C 13 173.348 0.000 . 1 . . . . 33 C C . 16835 1 409 . 1 1 33 33 CYS CA C 13 57.057 0.000 . 1 . . . . 33 C CA . 16835 1 410 . 1 1 33 33 CYS CB C 13 28.995 0.006 . 1 . . . . 33 C CB . 16835 1 411 . 1 1 33 33 CYS N N 15 128.871 0.000 . 1 . . . . 33 C N . 16835 1 412 . 1 1 34 34 GLU H H 1 8.526 0.000 . 1 . . . . 34 E HN . 16835 1 413 . 1 1 34 34 GLU HA H 1 4.969 0.000 . 1 . . . . 34 E HA . 16835 1 414 . 1 1 34 34 GLU HB2 H 1 2.073 0.000 . 2 . . . . 34 E HB2 . 16835 1 415 . 1 1 34 34 GLU HB3 H 1 2.302 0.000 . 2 . . . . 34 E HB3 . 16835 1 416 . 1 1 34 34 GLU HG2 H 1 2.353 0.000 . 2 . . . . 34 E QG . 16835 1 417 . 1 1 34 34 GLU HG3 H 1 2.353 0.000 . 2 . . . . 34 E QG . 16835 1 418 . 1 1 34 34 GLU C C 13 174.200 0.000 . 1 . . . . 34 E C . 16835 1 419 . 1 1 34 34 GLU CA C 13 54.280 0.000 . 1 . . . . 34 E CA . 16835 1 420 . 1 1 34 34 GLU CB C 13 35.116 0.006 . 1 . . . . 34 E CB . 16835 1 421 . 1 1 34 34 GLU CG C 13 38.412 0.000 . 1 . . . . 34 E CG . 16835 1 422 . 1 1 34 34 GLU N N 15 124.399 0.000 . 1 . . . . 34 E N . 16835 1 423 . 1 1 35 35 LYS H H 1 8.985 0.000 . 1 . . . . 35 K HN . 16835 1 424 . 1 1 35 35 LYS HA H 1 3.097 0.000 . 1 . . . . 35 K HA . 16835 1 425 . 1 1 35 35 LYS HB2 H 1 1.546 0.000 . 2 . . . . 35 K HB2 . 16835 1 426 . 1 1 35 35 LYS HB3 H 1 1.641 0.000 . 2 . . . . 35 K HB3 . 16835 1 427 . 1 1 35 35 LYS HD2 H 1 1.607 0.000 . 2 . . . . 35 K QD . 16835 1 428 . 1 1 35 35 LYS HD3 H 1 1.607 0.000 . 2 . . . . 35 K QD . 16835 1 429 . 1 1 35 35 LYS HE2 H 1 3.106 0.000 . 2 . . . . 35 K QE . 16835 1 430 . 1 1 35 35 LYS HE3 H 1 3.106 0.000 . 2 . . . . 35 K QE . 16835 1 431 . 1 1 35 35 LYS HG2 H 1 0.917 0.000 . 2 . . . . 35 K HG2 . 16835 1 432 . 1 1 35 35 LYS HG3 H 1 1.512 0.000 . 2 . . . . 35 K HG3 . 16835 1 433 . 1 1 35 35 LYS C C 13 177.424 0.000 . 1 . . . . 35 K C . 16835 1 434 . 1 1 35 35 LYS CA C 13 56.368 0.000 . 1 . . . . 35 K CA . 16835 1 435 . 1 1 35 35 LYS CB C 13 32.799 0.033 . 1 . . . . 35 K CB . 16835 1 436 . 1 1 35 35 LYS CD C 13 29.414 0.000 . 1 . . . . 35 K CD . 16835 1 437 . 1 1 35 35 LYS CE C 13 42.364 0.000 . 1 . . . . 35 K CE . 16835 1 438 . 1 1 35 35 LYS CG C 13 22.796 0.043 . 1 . . . . 35 K CG . 16835 1 439 . 1 1 35 35 LYS N N 15 123.692 0.000 . 1 . . . . 35 K N . 16835 1 440 . 1 1 36 36 ALA H H 1 8.538 0.000 . 1 . . . . 36 A HN . 16835 1 441 . 1 1 36 36 ALA HA H 1 4.149 0.000 . 1 . . . . 36 A HA . 16835 1 442 . 1 1 36 36 ALA HB1 H 1 1.319 0.000 . . . . . . 36 A QB . 16835 1 443 . 1 1 36 36 ALA HB2 H 1 1.319 0.000 . . . . . . 36 A QB . 16835 1 444 . 1 1 36 36 ALA HB3 H 1 1.319 0.000 . . . . . . 36 A QB . 16835 1 445 . 1 1 36 36 ALA C C 13 178.296 0.000 . 1 . . . . 36 A C . 16835 1 446 . 1 1 36 36 ALA CA C 13 52.684 0.000 . 1 . . . . 36 A CA . 16835 1 447 . 1 1 36 36 ALA CB C 13 18.723 0.000 . 1 . . . . 36 A CB . 16835 1 448 . 1 1 36 36 ALA N N 15 129.417 0.000 . 1 . . . . 36 A N . 16835 1 449 . 1 1 37 37 GLU H H 1 8.608 0.000 . 1 . . . . 37 E HN . 16835 1 450 . 1 1 37 37 GLU HA H 1 3.959 0.000 . 1 . . . . 37 E HA . 16835 1 451 . 1 1 37 37 GLU HB2 H 1 1.970 0.000 . 2 . . . . 37 E HB2 . 16835 1 452 . 1 1 37 37 GLU HB3 H 1 2.072 0.000 . 2 . . . . 37 E HB3 . 16835 1 453 . 1 1 37 37 GLU HG2 H 1 2.217 0.000 . 2 . . . . 37 E HG2 . 16835 1 454 . 1 1 37 37 GLU HG3 H 1 2.320 0.000 . 2 . . . . 37 E HG3 . 16835 1 455 . 1 1 37 37 GLU C C 13 177.485 0.000 . 1 . . . . 37 E C . 16835 1 456 . 1 1 37 37 GLU CA C 13 59.159 0.000 . 1 . . . . 37 E CA . 16835 1 457 . 1 1 37 37 GLU CB C 13 30.136 0.007 . 1 . . . . 37 E CB . 16835 1 458 . 1 1 37 37 GLU CG C 13 36.056 0.027 . 1 . . . . 37 E CG . 16835 1 459 . 1 1 37 37 GLU N N 15 124.998 0.000 . 1 . . . . 37 E N . 16835 1 460 . 1 1 38 38 LYS H H 1 8.510 0.000 . 1 . . . . 38 K HN . 16835 1 461 . 1 1 38 38 LYS HA H 1 4.178 0.000 . 1 . . . . 38 K HA . 16835 1 462 . 1 1 38 38 LYS HB2 H 1 1.929 0.000 . 2 . . . . 38 K HB2 . 16835 1 463 . 1 1 38 38 LYS HB3 H 1 1.734 0.000 . 2 . . . . 38 K HB3 . 16835 1 464 . 1 1 38 38 LYS HD2 H 1 1.581 0.000 . 2 . . . . 38 K HD2 . 16835 1 465 . 1 1 38 38 LYS HD3 H 1 1.614 0.000 . 2 . . . . 38 K HD3 . 16835 1 466 . 1 1 38 38 LYS HE2 H 1 2.921 0.000 . 2 . . . . 38 K QE . 16835 1 467 . 1 1 38 38 LYS HE3 H 1 2.921 0.000 . 2 . . . . 38 K QE . 16835 1 468 . 1 1 38 38 LYS HG2 H 1 1.376 0.000 . 2 . . . . 38 K HG2 . 16835 1 469 . 1 1 38 38 LYS HG3 H 1 1.342 0.000 . 2 . . . . 38 K HG3 . 16835 1 470 . 1 1 38 38 LYS C C 13 176.229 0.000 . 1 . . . . 38 K C . 16835 1 471 . 1 1 38 38 LYS CA C 13 56.523 0.000 . 1 . . . . 38 K CA . 16835 1 472 . 1 1 38 38 LYS CB C 13 31.441 0.006 . 1 . . . . 38 K CB . 16835 1 473 . 1 1 38 38 LYS CD C 13 28.953 0.011 . 1 . . . . 38 K CD . 16835 1 474 . 1 1 38 38 LYS CE C 13 42.087 0.000 . 1 . . . . 38 K CE . 16835 1 475 . 1 1 38 38 LYS CG C 13 25.376 0.000 . 1 . . . . 38 K CG . 16835 1 476 . 1 1 38 38 LYS N N 15 115.193 0.000 . 1 . . . . 38 K N . 16835 1 477 . 1 1 39 39 SER H H 1 7.345 0.000 . 1 . . . . 39 S HN . 16835 1 478 . 1 1 39 39 SER HA H 1 4.521 0.000 . 1 . . . . 39 S HA . 16835 1 479 . 1 1 39 39 SER HB2 H 1 3.706 0.000 . 2 . . . . 39 S HB2 . 16835 1 480 . 1 1 39 39 SER HB3 H 1 4.067 0.000 . 2 . . . . 39 S HB3 . 16835 1 481 . 1 1 39 39 SER C C 13 174.916 0.000 . 1 . . . . 39 S C . 16835 1 482 . 1 1 39 39 SER CA C 13 57.965 0.000 . 1 . . . . 39 S CA . 16835 1 483 . 1 1 39 39 SER CB C 13 65.251 0.000 . 1 . . . . 39 S CB . 16835 1 484 . 1 1 39 39 SER N N 15 113.112 0.000 . 1 . . . . 39 S N . 16835 1 485 . 1 1 40 40 ASP H H 1 8.745 0.000 . 1 . . . . 40 D HN . 16835 1 486 . 1 1 40 40 ASP HA H 1 4.788 0.000 . 1 . . . . 40 D HA . 16835 1 487 . 1 1 40 40 ASP HB2 H 1 2.757 0.000 . 2 . . . . 40 D QB . 16835 1 488 . 1 1 40 40 ASP HB3 H 1 2.757 0.000 . 2 . . . . 40 D QB . 16835 1 489 . 1 1 40 40 ASP C C 13 175.193 0.000 . 1 . . . . 40 D C . 16835 1 490 . 1 1 40 40 ASP CA C 13 53.564 0.000 . 1 . . . . 40 D CA . 16835 1 491 . 1 1 40 40 ASP CB C 13 39.984 0.000 . 1 . . . . 40 D CB . 16835 1 492 . 1 1 40 40 ASP N N 15 127.329 0.000 . 1 . . . . 40 D N . 16835 1 493 . 1 1 41 41 ILE H H 1 7.657 0.000 . 1 . . . . 41 I HN . 16835 1 494 . 1 1 41 41 ILE HA H 1 4.652 0.000 . 1 . . . . 41 I HA . 16835 1 495 . 1 1 41 41 ILE HB H 1 1.948 0.000 . 1 . . . . 41 I HB . 16835 1 496 . 1 1 41 41 ILE HD11 H 1 0.987 0.000 . . . . . . 41 I QD1 . 16835 1 497 . 1 1 41 41 ILE HD12 H 1 0.987 0.000 . . . . . . 41 I QD1 . 16835 1 498 . 1 1 41 41 ILE HD13 H 1 0.987 0.000 . . . . . . 41 I QD1 . 16835 1 499 . 1 1 41 41 ILE HG12 H 1 1.452 0.000 . 2 . . . . 41 I HG12 . 16835 1 500 . 1 1 41 41 ILE HG13 H 1 1.725 0.000 . 2 . . . . 41 I HG13 . 16835 1 501 . 1 1 41 41 ILE HG21 H 1 0.951 0.000 . . . . . . 41 I QG2 . 16835 1 502 . 1 1 41 41 ILE HG22 H 1 0.951 0.000 . . . . . . 41 I QG2 . 16835 1 503 . 1 1 41 41 ILE HG23 H 1 0.951 0.000 . . . . . . 41 I QG2 . 16835 1 504 . 1 1 41 41 ILE CA C 13 59.120 0.000 . 1 . . . . 41 I CA . 16835 1 505 . 1 1 41 41 ILE CB C 13 40.566 0.000 . 1 . . . . 41 I CB . 16835 1 506 . 1 1 41 41 ILE CD1 C 13 14.920 0.000 . 1 . . . . 41 I CD1 . 16835 1 507 . 1 1 41 41 ILE CG1 C 13 28.754 0.003 . 1 . . . . 41 I CG1 . 16835 1 508 . 1 1 41 41 ILE CG2 C 13 17.987 0.000 . 1 . . . . 41 I CG2 . 16835 1 509 . 1 1 41 41 ILE N N 15 123.090 0.000 . 1 . . . . 41 I N . 16835 1 510 . 1 1 42 42 PRO HA H 1 4.410 0.000 . 1 . . . . 42 P HA . 16835 1 511 . 1 1 42 42 PRO HB2 H 1 1.787 0.000 . 2 . . . . 42 P HB2 . 16835 1 512 . 1 1 42 42 PRO HB3 H 1 2.477 0.000 . 2 . . . . 42 P HB3 . 16835 1 513 . 1 1 42 42 PRO HD2 H 1 3.391 0.000 . 2 . . . . 42 P HD2 . 16835 1 514 . 1 1 42 42 PRO HD3 H 1 3.999 0.000 . 2 . . . . 42 P HD3 . 16835 1 515 . 1 1 42 42 PRO HG2 H 1 1.998 0.000 . 2 . . . . 42 P HG2 . 16835 1 516 . 1 1 42 42 PRO HG3 H 1 2.057 0.000 . 2 . . . . 42 P HG3 . 16835 1 517 . 1 1 42 42 PRO C C 13 175.980 0.000 . 1 . . . . 42 P C . 16835 1 518 . 1 1 42 42 PRO CA C 13 63.781 0.000 . 1 . . . . 42 P CA . 16835 1 519 . 1 1 42 42 PRO CB C 13 32.858 0.013 . 1 . . . . 42 P CB . 16835 1 520 . 1 1 42 42 PRO CD C 13 51.895 0.001 . 1 . . . . 42 P CD . 16835 1 521 . 1 1 42 42 PRO CG C 13 28.023 0.013 . 1 . . . . 42 P CG . 16835 1 522 . 1 1 43 43 GLU H H 1 8.400 0.000 . 1 . . . . 43 E HN . 16835 1 523 . 1 1 43 43 GLU HA H 1 4.293 0.000 . 1 . . . . 43 E HA . 16835 1 524 . 1 1 43 43 GLU HB2 H 1 1.939 0.000 . 2 . . . . 43 E HB2 . 16835 1 525 . 1 1 43 43 GLU HB3 H 1 2.100 0.000 . 2 . . . . 43 E HB3 . 16835 1 526 . 1 1 43 43 GLU HG2 H 1 2.396 0.000 . 2 . . . . 43 E QG . 16835 1 527 . 1 1 43 43 GLU HG3 H 1 2.396 0.000 . 2 . . . . 43 E QG . 16835 1 528 . 1 1 43 43 GLU C C 13 175.279 0.000 . 1 . . . . 43 E C . 16835 1 529 . 1 1 43 43 GLU CA C 13 56.317 0.000 . 1 . . . . 43 E CA . 16835 1 530 . 1 1 43 43 GLU CB C 13 31.257 0.006 . 1 . . . . 43 E CB . 16835 1 531 . 1 1 43 43 GLU CG C 13 36.351 0.000 . 1 . . . . 43 E CG . 16835 1 532 . 1 1 43 43 GLU N N 15 120.452 0.000 . 1 . . . . 43 E N . 16835 1 533 . 1 1 44 44 ILE H H 1 8.086 0.000 . 1 . . . . 44 I HN . 16835 1 534 . 1 1 44 44 ILE HA H 1 4.438 0.000 . 1 . . . . 44 I HA . 16835 1 535 . 1 1 44 44 ILE HB H 1 1.893 0.000 . 1 . . . . 44 I HB . 16835 1 536 . 1 1 44 44 ILE HD11 H 1 0.815 0.000 . . . . . . 44 I QD1 . 16835 1 537 . 1 1 44 44 ILE HD12 H 1 0.815 0.000 . . . . . . 44 I QD1 . 16835 1 538 . 1 1 44 44 ILE HD13 H 1 0.815 0.000 . . . . . . 44 I QD1 . 16835 1 539 . 1 1 44 44 ILE HG12 H 1 1.513 0.000 . 2 . . . . 44 I HG12 . 16835 1 540 . 1 1 44 44 ILE HG13 H 1 1.436 0.000 . 2 . . . . 44 I HG13 . 16835 1 541 . 1 1 44 44 ILE HG21 H 1 1.024 0.000 . . . . . . 44 I QG2 . 16835 1 542 . 1 1 44 44 ILE HG22 H 1 1.024 0.000 . . . . . . 44 I QG2 . 16835 1 543 . 1 1 44 44 ILE HG23 H 1 1.024 0.000 . . . . . . 44 I QG2 . 16835 1 544 . 1 1 44 44 ILE C C 13 174.827 0.000 . 1 . . . . 44 I C . 16835 1 545 . 1 1 44 44 ILE CA C 13 60.915 0.000 . 1 . . . . 44 I CA . 16835 1 546 . 1 1 44 44 ILE CB C 13 40.633 0.000 . 1 . . . . 44 I CB . 16835 1 547 . 1 1 44 44 ILE CD1 C 13 15.656 0.000 . 1 . . . . 44 I CD1 . 16835 1 548 . 1 1 44 44 ILE CG1 C 13 28.697 0.000 . 1 . . . . 44 I CG1 . 16835 1 549 . 1 1 44 44 ILE CG2 C 13 16.780 0.000 . 1 . . . . 44 I CG2 . 16835 1 550 . 1 1 44 44 ILE N N 15 123.362 0.000 . 1 . . . . 44 I N . 16835 1 551 . 1 1 45 45 ASP H H 1 8.479 0.000 . 1 . . . . 45 D HN . 16835 1 552 . 1 1 45 45 ASP HA H 1 4.435 0.000 . 1 . . . . 45 D HA . 16835 1 553 . 1 1 45 45 ASP HB2 H 1 2.789 0.000 . 2 . . . . 45 D QB . 16835 1 554 . 1 1 45 45 ASP HB3 H 1 2.789 0.000 . 2 . . . . 45 D QB . 16835 1 555 . 1 1 45 45 ASP C C 13 175.564 0.000 . 1 . . . . 45 D C . 16835 1 556 . 1 1 45 45 ASP CA C 13 55.209 0.000 . 1 . . . . 45 D CA . 16835 1 557 . 1 1 45 45 ASP CB C 13 40.090 0.000 . 1 . . . . 45 D CB . 16835 1 558 . 1 1 45 45 ASP N N 15 123.109 0.000 . 1 . . . . 45 D N . 16835 1 559 . 1 1 46 46 LYS H H 1 7.254 0.000 . 1 . . . . 46 K HN . 16835 1 560 . 1 1 46 46 LYS HA H 1 4.429 0.000 . 1 . . . . 46 K HA . 16835 1 561 . 1 1 46 46 LYS HB2 H 1 1.590 0.000 . 2 . . . . 46 K QB . 16835 1 562 . 1 1 46 46 LYS HB3 H 1 1.590 0.000 . 2 . . . . 46 K QB . 16835 1 563 . 1 1 46 46 LYS HD2 H 1 1.277 0.000 . 2 . . . . 46 K HD2 . 16835 1 564 . 1 1 46 46 LYS HD3 H 1 1.447 0.000 . 2 . . . . 46 K HD3 . 16835 1 565 . 1 1 46 46 LYS HE2 H 1 2.479 0.000 . 2 . . . . 46 K HE2 . 16835 1 566 . 1 1 46 46 LYS HE3 H 1 2.594 0.000 . 2 . . . . 46 K HE3 . 16835 1 567 . 1 1 46 46 LYS HG2 H 1 0.518 0.000 . 2 . . . . 46 K HG2 . 16835 1 568 . 1 1 46 46 LYS HG3 H 1 1.204 0.000 . 2 . . . . 46 K HG3 . 16835 1 569 . 1 1 46 46 LYS C C 13 174.653 0.000 . 1 . . . . 46 K C . 16835 1 570 . 1 1 46 46 LYS CA C 13 56.009 0.000 . 1 . . . . 46 K CA . 16835 1 571 . 1 1 46 46 LYS CB C 13 34.602 0.000 . 1 . . . . 46 K CB . 16835 1 572 . 1 1 46 46 LYS CD C 13 29.578 0.006 . 1 . . . . 46 K CD . 16835 1 573 . 1 1 46 46 LYS CE C 13 42.272 0.020 . 1 . . . . 46 K CE . 16835 1 574 . 1 1 46 46 LYS CG C 13 24.435 0.007 . 1 . . . . 46 K CG . 16835 1 575 . 1 1 46 46 LYS N N 15 121.726 0.000 . 1 . . . . 46 K N . 16835 1 576 . 1 1 47 47 ARG H H 1 8.558 0.000 . 1 . . . . 47 R HN . 16835 1 577 . 1 1 47 47 ARG HA H 1 5.106 0.000 . 1 . . . . 47 R HA . 16835 1 578 . 1 1 47 47 ARG HB2 H 1 1.943 0.000 . 2 . . . . 47 R QB . 16835 1 579 . 1 1 47 47 ARG HB3 H 1 1.943 0.000 . 2 . . . . 47 R QB . 16835 1 580 . 1 1 47 47 ARG HD2 H 1 3.267 0.000 . 2 . . . . 47 R HD2 . 16835 1 581 . 1 1 47 47 ARG HD3 H 1 3.444 0.000 . 2 . . . . 47 R HD3 . 16835 1 582 . 1 1 47 47 ARG HG2 H 1 1.700 0.000 . 2 . . . . 47 R HG2 . 16835 1 583 . 1 1 47 47 ARG HG3 H 1 1.855 0.000 . 2 . . . . 47 R HG3 . 16835 1 584 . 1 1 47 47 ARG C C 13 173.919 0.000 . 1 . . . . 47 R C . 16835 1 585 . 1 1 47 47 ARG CA C 13 56.056 0.000 . 1 . . . . 47 R CA . 16835 1 586 . 1 1 47 47 ARG CB C 13 32.919 0.000 . 1 . . . . 47 R CB . 16835 1 587 . 1 1 47 47 ARG CD C 13 44.540 0.006 . 1 . . . . 47 R CD . 16835 1 588 . 1 1 47 47 ARG CG C 13 26.548 0.017 . 1 . . . . 47 R CG . 16835 1 589 . 1 1 47 47 ARG N N 15 124.949 0.000 . 1 . . . . 47 R N . 16835 1 590 . 1 1 48 48 LYS H H 1 7.320 0.000 . 1 . . . . 48 K HN . 16835 1 591 . 1 1 48 48 LYS HA H 1 5.005 0.000 . 1 . . . . 48 K HA . 16835 1 592 . 1 1 48 48 LYS HB2 H 1 1.252 0.000 . 2 . . . . 48 K HB2 . 16835 1 593 . 1 1 48 48 LYS HB3 H 1 1.636 0.000 . 2 . . . . 48 K HB3 . 16835 1 594 . 1 1 48 48 LYS HD2 H 1 1.508 0.000 . 2 . . . . 48 K HD2 . 16835 1 595 . 1 1 48 48 LYS HD3 H 1 1.607 0.000 . 2 . . . . 48 K HD3 . 16835 1 596 . 1 1 48 48 LYS HE2 H 1 2.761 0.000 . 2 . . . . 48 K QE . 16835 1 597 . 1 1 48 48 LYS HE3 H 1 2.761 0.000 . 2 . . . . 48 K QE . 16835 1 598 . 1 1 48 48 LYS HG2 H 1 0.893 0.000 . 2 . . . . 48 K HG2 . 16835 1 599 . 1 1 48 48 LYS HG3 H 1 1.148 0.000 . 2 . . . . 48 K HG3 . 16835 1 600 . 1 1 48 48 LYS C C 13 174.635 0.000 . 1 . . . . 48 K C . 16835 1 601 . 1 1 48 48 LYS CA C 13 55.145 0.000 . 1 . . . . 48 K CA . 16835 1 602 . 1 1 48 48 LYS CB C 13 33.905 0.007 . 1 . . . . 48 K CB . 16835 1 603 . 1 1 48 48 LYS CD C 13 29.852 0.013 . 1 . . . . 48 K CD . 16835 1 604 . 1 1 48 48 LYS CE C 13 41.024 0.000 . 1 . . . . 48 K CE . 16835 1 605 . 1 1 48 48 LYS CG C 13 24.102 0.005 . 1 . . . . 48 K CG . 16835 1 606 . 1 1 48 48 LYS N N 15 121.364 0.000 . 1 . . . . 48 K N . 16835 1 607 . 1 1 49 49 TYR H H 1 9.601 0.000 . 1 . . . . 49 Y HN . 16835 1 608 . 1 1 49 49 TYR HA H 1 4.478 0.000 . 1 . . . . 49 Y HA . 16835 1 609 . 1 1 49 49 TYR HB2 H 1 2.629 0.000 . 2 . . . . 49 Y HB2 . 16835 1 610 . 1 1 49 49 TYR HB3 H 1 2.798 0.000 . 2 . . . . 49 Y HB3 . 16835 1 611 . 1 1 49 49 TYR HD1 H 1 7.035 0.010 . 3 . . . . 49 Y QD . 16835 1 612 . 1 1 49 49 TYR HD2 H 1 7.035 0.010 . 3 . . . . 49 Y QD . 16835 1 613 . 1 1 49 49 TYR HE1 H 1 6.588 0.001 . 3 . . . . 49 Y QE . 16835 1 614 . 1 1 49 49 TYR HE2 H 1 6.588 0.001 . 3 . . . . 49 Y QE . 16835 1 615 . 1 1 49 49 TYR C C 13 173.693 0.000 . 1 . . . . 49 Y C . 16835 1 616 . 1 1 49 49 TYR CA C 13 57.171 0.000 . 1 . . . . 49 Y CA . 16835 1 617 . 1 1 49 49 TYR CB C 13 42.407 0.040 . 1 . . . . 49 Y CB . 16835 1 618 . 1 1 49 49 TYR CD1 C 13 132.669 0.000 . 3 . . . . 49 Y CD1 . 16835 1 619 . 1 1 49 49 TYR CE1 C 13 118.148 0.000 . 3 . . . . 49 Y CE1 . 16835 1 620 . 1 1 49 49 TYR N N 15 125.549 0.000 . 1 . . . . 49 Y N . 16835 1 621 . 1 1 50 50 LEU H H 1 8.555 0.000 . 1 . . . . 50 L HN . 16835 1 622 . 1 1 50 50 LEU HA H 1 4.786 0.000 . 1 . . . . 50 L HA . 16835 1 623 . 1 1 50 50 LEU HB2 H 1 0.825 0.000 . 2 . . . . 50 L HB2 . 16835 1 624 . 1 1 50 50 LEU HB3 H 1 1.590 0.000 . 2 . . . . 50 L HB3 . 16835 1 625 . 1 1 50 50 LEU HD11 H 1 0.420 0.000 . . . . . . 50 L QD1 . 16835 1 626 . 1 1 50 50 LEU HD12 H 1 0.420 0.000 . . . . . . 50 L QD1 . 16835 1 627 . 1 1 50 50 LEU HD13 H 1 0.420 0.000 . . . . . . 50 L QD1 . 16835 1 628 . 1 1 50 50 LEU HD21 H 1 0.497 0.000 . . . . . . 50 L QD2 . 16835 1 629 . 1 1 50 50 LEU HD22 H 1 0.497 0.000 . . . . . . 50 L QD2 . 16835 1 630 . 1 1 50 50 LEU HD23 H 1 0.497 0.000 . . . . . . 50 L QD2 . 16835 1 631 . 1 1 50 50 LEU HG H 1 1.303 0.000 . 1 . . . . 50 L HG . 16835 1 632 . 1 1 50 50 LEU C C 13 176.651 0.000 . 1 . . . . 50 L C . 16835 1 633 . 1 1 50 50 LEU CA C 13 53.409 0.000 . 1 . . . . 50 L CA . 16835 1 634 . 1 1 50 50 LEU CB C 13 41.161 0.013 . 1 . . . . 50 L CB . 16835 1 635 . 1 1 50 50 LEU CD1 C 13 24.552 0.000 . 2 . . . . 50 L CD1 . 16835 1 636 . 1 1 50 50 LEU CD2 C 13 24.785 0.000 . 2 . . . . 50 L CD2 . 16835 1 637 . 1 1 50 50 LEU CG C 13 27.399 0.000 . 1 . . . . 50 L CG . 16835 1 638 . 1 1 50 50 LEU N N 15 124.437 0.000 . 1 . . . . 50 L N . 16835 1 639 . 1 1 51 51 VAL H H 1 8.691 0.000 . 1 . . . . 51 V HN . 16835 1 640 . 1 1 51 51 VAL HA H 1 4.572 0.000 . 1 . . . . 51 V HA . 16835 1 641 . 1 1 51 51 VAL HB H 1 1.962 0.000 . 1 . . . . 51 V HB . 16835 1 642 . 1 1 51 51 VAL HG11 H 1 0.930 0.000 . . . . . . 51 V QG1 . 16835 1 643 . 1 1 51 51 VAL HG12 H 1 0.930 0.000 . . . . . . 51 V QG1 . 16835 1 644 . 1 1 51 51 VAL HG13 H 1 0.930 0.000 . . . . . . 51 V QG1 . 16835 1 645 . 1 1 51 51 VAL HG21 H 1 0.676 0.000 . . . . . . 51 V QG2 . 16835 1 646 . 1 1 51 51 VAL HG22 H 1 0.676 0.000 . . . . . . 51 V QG2 . 16835 1 647 . 1 1 51 51 VAL HG23 H 1 0.676 0.000 . . . . . . 51 V QG2 . 16835 1 648 . 1 1 51 51 VAL CA C 13 59.702 0.000 . 1 . . . . 51 V CA . 16835 1 649 . 1 1 51 51 VAL CB C 13 33.655 0.000 . 1 . . . . 51 V CB . 16835 1 650 . 1 1 51 51 VAL CG1 C 13 21.735 0.000 . 2 . . . . 51 V CG1 . 16835 1 651 . 1 1 51 51 VAL CG2 C 13 22.125 0.000 . 2 . . . . 51 V CG2 . 16835 1 652 . 1 1 51 51 VAL N N 15 124.106 0.000 . 1 . . . . 51 V N . 16835 1 653 . 1 1 52 52 PRO HA H 1 4.442 0.000 . 1 . . . . 52 P HA . 16835 1 654 . 1 1 52 52 PRO HB2 H 1 2.031 0.000 . 2 . . . . 52 P HB2 . 16835 1 655 . 1 1 52 52 PRO HB3 H 1 2.509 0.000 . 2 . . . . 52 P HB3 . 16835 1 656 . 1 1 52 52 PRO HD2 H 1 3.598 0.000 . 2 . . . . 52 P HD2 . 16835 1 657 . 1 1 52 52 PRO HD3 H 1 4.117 0.000 . 2 . . . . 52 P HD3 . 16835 1 658 . 1 1 52 52 PRO HG2 H 1 1.893 0.000 . 2 . . . . 52 P HG2 . 16835 1 659 . 1 1 52 52 PRO HG3 H 1 2.014 0.000 . 2 . . . . 52 P HG3 . 16835 1 660 . 1 1 52 52 PRO C C 13 176.739 0.000 . 1 . . . . 52 P C . 16835 1 661 . 1 1 52 52 PRO CA C 13 63.941 0.000 . 1 . . . . 52 P CA . 16835 1 662 . 1 1 52 52 PRO CB C 13 32.412 0.003 . 1 . . . . 52 P CB . 16835 1 663 . 1 1 52 52 PRO CD C 13 51.340 0.030 . 1 . . . . 52 P CD . 16835 1 664 . 1 1 52 52 PRO CG C 13 28.292 0.001 . 1 . . . . 52 P CG . 16835 1 665 . 1 1 53 53 ALA H H 1 7.994 0.000 . 1 . . . . 53 A HN . 16835 1 666 . 1 1 53 53 ALA HA H 1 3.786 0.000 . 1 . . . . 53 A HA . 16835 1 667 . 1 1 53 53 ALA HB1 H 1 1.318 0.000 . . . . . . 53 A QB . 16835 1 668 . 1 1 53 53 ALA HB2 H 1 1.318 0.000 . . . . . . 53 A QB . 16835 1 669 . 1 1 53 53 ALA HB3 H 1 1.318 0.000 . . . . . . 53 A QB . 16835 1 670 . 1 1 53 53 ALA C C 13 176.427 0.000 . 1 . . . . 53 A C . 16835 1 671 . 1 1 53 53 ALA CA C 13 54.601 0.000 . 1 . . . . 53 A CA . 16835 1 672 . 1 1 53 53 ALA CB C 13 18.894 0.000 . 1 . . . . 53 A CB . 16835 1 673 . 1 1 53 53 ALA N N 15 123.453 0.000 . 1 . . . . 53 A N . 16835 1 674 . 1 1 54 54 ASP H H 1 8.167 0.000 . 1 . . . . 54 D HN . 16835 1 675 . 1 1 54 54 ASP HA H 1 4.627 0.000 . 1 . . . . 54 D HA . 16835 1 676 . 1 1 54 54 ASP HB2 H 1 2.875 0.000 . 2 . . . . 54 D HB2 . 16835 1 677 . 1 1 54 54 ASP HB3 H 1 2.605 0.000 . 2 . . . . 54 D HB3 . 16835 1 678 . 1 1 54 54 ASP C C 13 175.969 0.000 . 1 . . . . 54 D C . 16835 1 679 . 1 1 54 54 ASP CA C 13 52.737 0.000 . 1 . . . . 54 D CA . 16835 1 680 . 1 1 54 54 ASP CB C 13 39.926 0.000 . 1 . . . . 54 D CB . 16835 1 681 . 1 1 54 54 ASP N N 15 111.443 0.000 . 1 . . . . 54 D N . 16835 1 682 . 1 1 55 55 LEU H H 1 7.378 0.000 . 1 . . . . 55 L HN . 16835 1 683 . 1 1 55 55 LEU HA H 1 4.418 0.000 . 1 . . . . 55 L HA . 16835 1 684 . 1 1 55 55 LEU HB2 H 1 1.564 0.000 . 2 . . . . 55 L HB2 . 16835 1 685 . 1 1 55 55 LEU HB3 H 1 1.691 0.000 . 2 . . . . 55 L HB3 . 16835 1 686 . 1 1 55 55 LEU HD11 H 1 0.922 0.000 . . . . . . 55 L QD1 . 16835 1 687 . 1 1 55 55 LEU HD12 H 1 0.922 0.000 . . . . . . 55 L QD1 . 16835 1 688 . 1 1 55 55 LEU HD13 H 1 0.922 0.000 . . . . . . 55 L QD1 . 16835 1 689 . 1 1 55 55 LEU HD21 H 1 0.963 0.000 . . . . . . 55 L QD2 . 16835 1 690 . 1 1 55 55 LEU HD22 H 1 0.963 0.000 . . . . . . 55 L QD2 . 16835 1 691 . 1 1 55 55 LEU HD23 H 1 0.963 0.000 . . . . . . 55 L QD2 . 16835 1 692 . 1 1 55 55 LEU HG H 1 2.087 0.000 . 1 . . . . 55 L HG . 16835 1 693 . 1 1 55 55 LEU C C 13 177.799 0.000 . 1 . . . . 55 L C . 16835 1 694 . 1 1 55 55 LEU CA C 13 55.684 0.000 . 1 . . . . 55 L CA . 16835 1 695 . 1 1 55 55 LEU CB C 13 43.432 0.007 . 1 . . . . 55 L CB . 16835 1 696 . 1 1 55 55 LEU CD1 C 13 24.941 0.000 . 2 . . . . 55 L CD1 . 16835 1 697 . 1 1 55 55 LEU CD2 C 13 25.278 0.000 . 2 . . . . 55 L CD2 . 16835 1 698 . 1 1 55 55 LEU CG C 13 27.133 0.000 . 1 . . . . 55 L CG . 16835 1 699 . 1 1 55 55 LEU N N 15 121.118 0.000 . 1 . . . . 55 L N . 16835 1 700 . 1 1 56 56 THR H H 1 8.470 0.000 . 1 . . . . 56 T HN . 16835 1 701 . 1 1 56 56 THR HA H 1 5.215 0.000 . 1 . . . . 56 T HA . 16835 1 702 . 1 1 56 56 THR HB H 1 4.798 0.000 . 1 . . . . 56 T HB . 16835 1 703 . 1 1 56 56 THR HG1 H 1 5.633 0.000 . 1 . . . . 56 T HG1 . 16835 1 704 . 1 1 56 56 THR HG21 H 1 1.220 0.000 . . . . . . 56 T QG2 . 16835 1 705 . 1 1 56 56 THR HG22 H 1 1.220 0.000 . . . . . . 56 T QG2 . 16835 1 706 . 1 1 56 56 THR HG23 H 1 1.220 0.000 . . . . . . 56 T QG2 . 16835 1 707 . 1 1 56 56 THR C C 13 176.534 0.000 . 1 . . . . 56 T C . 16835 1 708 . 1 1 56 56 THR CA C 13 60.308 0.000 . 1 . . . . 56 T CA . 16835 1 709 . 1 1 56 56 THR CB C 13 71.303 0.000 . 1 . . . . 56 T CB . 16835 1 710 . 1 1 56 56 THR CG2 C 13 22.256 0.000 . 1 . . . . 56 T CG2 . 16835 1 711 . 1 1 56 56 THR N N 15 114.331 0.000 . 1 . . . . 56 T N . 16835 1 712 . 1 1 57 57 VAL H H 1 8.850 0.000 . 1 . . . . 57 V HN . 16835 1 713 . 1 1 57 57 VAL HA H 1 3.733 0.000 . 1 . . . . 57 V HA . 16835 1 714 . 1 1 57 57 VAL HB H 1 2.325 0.000 . 1 . . . . 57 V HB . 16835 1 715 . 1 1 57 57 VAL HG11 H 1 0.822 0.000 . . . . . . 57 V QG1 . 16835 1 716 . 1 1 57 57 VAL HG12 H 1 0.822 0.000 . . . . . . 57 V QG1 . 16835 1 717 . 1 1 57 57 VAL HG13 H 1 0.822 0.000 . . . . . . 57 V QG1 . 16835 1 718 . 1 1 57 57 VAL HG21 H 1 0.947 0.000 . . . . . . 57 V QG2 . 16835 1 719 . 1 1 57 57 VAL HG22 H 1 0.947 0.000 . . . . . . 57 V QG2 . 16835 1 720 . 1 1 57 57 VAL HG23 H 1 0.947 0.000 . . . . . . 57 V QG2 . 16835 1 721 . 1 1 57 57 VAL C C 13 178.775 0.000 . 1 . . . . 57 V C . 16835 1 722 . 1 1 57 57 VAL CA C 13 66.819 0.000 . 1 . . . . 57 V CA . 16835 1 723 . 1 1 57 57 VAL CB C 13 31.718 0.000 . 1 . . . . 57 V CB . 16835 1 724 . 1 1 57 57 VAL CG1 C 13 21.443 0.000 . 2 . . . . 57 V CG1 . 16835 1 725 . 1 1 57 57 VAL CG2 C 13 24.083 0.000 . 2 . . . . 57 V CG2 . 16835 1 726 . 1 1 57 57 VAL N N 15 122.551 0.000 . 1 . . . . 57 V N . 16835 1 727 . 1 1 58 58 GLY H H 1 9.383 0.000 . 1 . . . . 58 G HN . 16835 1 728 . 1 1 58 58 GLY HA2 H 1 3.915 0.000 . . . . . . 58 G HA1 . 16835 1 729 . 1 1 58 58 GLY HA3 H 1 3.716 0.000 . 2 . . . . 58 G HA2 . 16835 1 730 . 1 1 58 58 GLY C C 13 176.940 0.000 . 1 . . . . 58 G C . 16835 1 731 . 1 1 58 58 GLY CA C 13 47.258 0.000 . 1 . . . . 58 G CA . 16835 1 732 . 1 1 58 58 GLY N N 15 105.431 0.000 . 1 . . . . 58 G N . 16835 1 733 . 1 1 59 59 GLN H H 1 8.030 0.000 . 1 . . . . 59 Q HN . 16835 1 734 . 1 1 59 59 GLN HA H 1 4.147 0.000 . 1 . . . . 59 Q HA . 16835 1 735 . 1 1 59 59 GLN HB2 H 1 2.074 0.000 . 2 . . . . 59 Q HB2 . 16835 1 736 . 1 1 59 59 GLN HB3 H 1 2.484 0.000 . 2 . . . . 59 Q HB3 . 16835 1 737 . 1 1 59 59 GLN HE21 H 1 6.835 0.000 . 2 . . . . 59 Q HE21 . 16835 1 738 . 1 1 59 59 GLN HE22 H 1 7.522 0.001 . 2 . . . . 59 Q HE22 . 16835 1 739 . 1 1 59 59 GLN HG2 H 1 2.445 0.000 . 2 . . . . 59 Q QG . 16835 1 740 . 1 1 59 59 GLN HG3 H 1 2.445 0.000 . 2 . . . . 59 Q QG . 16835 1 741 . 1 1 59 59 GLN C C 13 179.312 0.000 . 1 . . . . 59 Q C . 16835 1 742 . 1 1 59 59 GLN CA C 13 58.604 0.000 . 1 . . . . 59 Q CA . 16835 1 743 . 1 1 59 59 GLN CB C 13 29.020 0.016 . 1 . . . . 59 Q CB . 16835 1 744 . 1 1 59 59 GLN CD C 13 180.278 0.010 . 1 . . . . 59 Q CD . 16835 1 745 . 1 1 59 59 GLN CG C 13 35.094 0.000 . 1 . . . . 59 Q CG . 16835 1 746 . 1 1 59 59 GLN N N 15 120.982 0.000 . 1 . . . . 59 Q N . 16835 1 747 . 1 1 59 59 GLN NE2 N 15 111.373 0.000 . 1 . . . . 59 Q NE2 . 16835 1 748 . 1 1 60 60 PHE H H 1 8.690 0.000 . 1 . . . . 60 F HN . 16835 1 749 . 1 1 60 60 PHE HA H 1 4.268 0.000 . 1 . . . . 60 F HA . 16835 1 750 . 1 1 60 60 PHE HB2 H 1 3.357 0.000 . 2 . . . . 60 F HB2 . 16835 1 751 . 1 1 60 60 PHE HB3 H 1 3.068 0.000 . 2 . . . . 60 F HB3 . 16835 1 752 . 1 1 60 60 PHE HD1 H 1 6.911 0.012 . 3 . . . . 60 F QD . 16835 1 753 . 1 1 60 60 PHE HD2 H 1 6.911 0.012 . 3 . . . . 60 F QD . 16835 1 754 . 1 1 60 60 PHE HE1 H 1 6.717 0.000 . 3 . . . . 60 F QE . 16835 1 755 . 1 1 60 60 PHE HE2 H 1 6.717 0.000 . 3 . . . . 60 F QE . 16835 1 756 . 1 1 60 60 PHE HZ H 1 6.285 0.000 . 1 . . . . 60 F HZ . 16835 1 757 . 1 1 60 60 PHE C C 13 176.735 0.000 . 1 . . . . 60 F C . 16835 1 758 . 1 1 60 60 PHE CA C 13 61.096 0.000 . 1 . . . . 60 F CA . 16835 1 759 . 1 1 60 60 PHE CB C 13 38.886 0.168 . 1 . . . . 60 F CB . 16835 1 760 . 1 1 60 60 PHE CD1 C 13 130.951 0.000 . 3 . . . . 60 F CD1 . 16835 1 761 . 1 1 60 60 PHE CE1 C 13 130.329 0.000 . 3 . . . . 60 F CE1 . 16835 1 762 . 1 1 60 60 PHE CZ C 13 128.976 0.000 . 1 . . . . 60 F CZ . 16835 1 763 . 1 1 60 60 PHE N N 15 124.056 0.000 . 1 . . . . 60 F N . 16835 1 764 . 1 1 61 61 VAL H H 1 8.599 0.000 . 1 . . . . 61 V HN . 16835 1 765 . 1 1 61 61 VAL HA H 1 3.019 0.000 . 1 . . . . 61 V HA . 16835 1 766 . 1 1 61 61 VAL HB H 1 2.159 0.000 . 1 . . . . 61 V HB . 16835 1 767 . 1 1 61 61 VAL HG11 H 1 0.687 0.000 . . . . . . 61 V QG1 . 16835 1 768 . 1 1 61 61 VAL HG12 H 1 0.687 0.000 . . . . . . 61 V QG1 . 16835 1 769 . 1 1 61 61 VAL HG13 H 1 0.687 0.000 . . . . . . 61 V QG1 . 16835 1 770 . 1 1 61 61 VAL HG21 H 1 0.980 0.000 . . . . . . 61 V QG2 . 16835 1 771 . 1 1 61 61 VAL HG22 H 1 0.980 0.000 . . . . . . 61 V QG2 . 16835 1 772 . 1 1 61 61 VAL HG23 H 1 0.980 0.000 . . . . . . 61 V QG2 . 16835 1 773 . 1 1 61 61 VAL C C 13 177.151 0.000 . 1 . . . . 61 V C . 16835 1 774 . 1 1 61 61 VAL CA C 13 67.195 0.000 . 1 . . . . 61 V CA . 16835 1 775 . 1 1 61 61 VAL CB C 13 30.856 0.000 . 1 . . . . 61 V CB . 16835 1 776 . 1 1 61 61 VAL CG1 C 13 22.144 0.000 . 2 . . . . 61 V CG1 . 16835 1 777 . 1 1 61 61 VAL CG2 C 13 23.874 0.000 . 2 . . . . 61 V CG2 . 16835 1 778 . 1 1 61 61 VAL N N 15 119.377 0.000 . 1 . . . . 61 V N . 16835 1 779 . 1 1 62 62 TYR H H 1 7.183 0.000 . 1 . . . . 62 Y HN . 16835 1 780 . 1 1 62 62 TYR HA H 1 4.016 0.000 . 1 . . . . 62 Y HA . 16835 1 781 . 1 1 62 62 TYR HB2 H 1 3.173 0.000 . 2 . . . . 62 Y HB2 . 16835 1 782 . 1 1 62 62 TYR HB3 H 1 3.080 0.000 . 2 . . . . 62 Y HB3 . 16835 1 783 . 1 1 62 62 TYR HD1 H 1 7.182 0.003 . 3 . . . . 62 Y QD . 16835 1 784 . 1 1 62 62 TYR HD2 H 1 7.182 0.003 . 3 . . . . 62 Y QD . 16835 1 785 . 1 1 62 62 TYR HE1 H 1 6.806 0.000 . 3 . . . . 62 Y QE . 16835 1 786 . 1 1 62 62 TYR HE2 H 1 6.806 0.000 . 3 . . . . 62 Y QE . 16835 1 787 . 1 1 62 62 TYR C C 13 177.438 0.000 . 1 . . . . 62 Y C . 16835 1 788 . 1 1 62 62 TYR CA C 13 61.646 0.000 . 1 . . . . 62 Y CA . 16835 1 789 . 1 1 62 62 TYR CB C 13 37.798 0.024 . 1 . . . . 62 Y CB . 16835 1 790 . 1 1 62 62 TYR CD1 C 13 133.011 0.000 . 3 . . . . 62 Y CD1 . 16835 1 791 . 1 1 62 62 TYR CD2 C 13 133.011 0.000 . 3 . . . . 62 Y CD2 . 16835 1 792 . 1 1 62 62 TYR CE1 C 13 118.167 0.000 . 3 . . . . 62 Y CE1 . 16835 1 793 . 1 1 62 62 TYR N N 15 117.678 0.000 . 1 . . . . 62 Y N . 16835 1 794 . 1 1 63 63 VAL H H 1 7.345 0.000 . 1 . . . . 63 V HN . 16835 1 795 . 1 1 63 63 VAL HA H 1 3.410 0.000 . 1 . . . . 63 V HA . 16835 1 796 . 1 1 63 63 VAL HB H 1 2.217 0.000 . 1 . . . . 63 V HB . 16835 1 797 . 1 1 63 63 VAL HG11 H 1 0.811 0.000 . . . . . . 63 V QG1 . 16835 1 798 . 1 1 63 63 VAL HG12 H 1 0.811 0.000 . . . . . . 63 V QG1 . 16835 1 799 . 1 1 63 63 VAL HG13 H 1 0.811 0.000 . . . . . . 63 V QG1 . 16835 1 800 . 1 1 63 63 VAL HG21 H 1 1.133 0.000 . . . . . . 63 V QG2 . 16835 1 801 . 1 1 63 63 VAL HG22 H 1 1.133 0.000 . . . . . . 63 V QG2 . 16835 1 802 . 1 1 63 63 VAL HG23 H 1 1.133 0.000 . . . . . . 63 V QG2 . 16835 1 803 . 1 1 63 63 VAL C C 13 178.887 0.000 . 1 . . . . 63 V C . 16835 1 804 . 1 1 63 63 VAL CA C 13 66.600 0.000 . 1 . . . . 63 V CA . 16835 1 805 . 1 1 63 63 VAL CB C 13 31.070 0.000 . 1 . . . . 63 V CB . 16835 1 806 . 1 1 63 63 VAL CG1 C 13 20.953 0.000 . 2 . . . . 63 V CG1 . 16835 1 807 . 1 1 63 63 VAL CG2 C 13 22.401 0.000 . 2 . . . . 63 V CG2 . 16835 1 808 . 1 1 63 63 VAL N N 15 119.955 0.000 . 1 . . . . 63 V N . 16835 1 809 . 1 1 64 64 ILE H H 1 7.213 0.003 . 1 . . . . 64 I HN . 16835 1 810 . 1 1 64 64 ILE HA H 1 3.316 0.000 . 1 . . . . 64 I HA . 16835 1 811 . 1 1 64 64 ILE HB H 1 1.432 0.000 . 1 . . . . 64 I HB . 16835 1 812 . 1 1 64 64 ILE HD11 H 1 -0.036 0.000 . . . . . . 64 I QD1 . 16835 1 813 . 1 1 64 64 ILE HD12 H 1 -0.036 0.000 . . . . . . 64 I QD1 . 16835 1 814 . 1 1 64 64 ILE HD13 H 1 -0.036 0.000 . . . . . . 64 I QD1 . 16835 1 815 . 1 1 64 64 ILE HG12 H 1 0.362 0.000 . 2 . . . . 64 I HG12 . 16835 1 816 . 1 1 64 64 ILE HG13 H 1 0.549 0.000 . 2 . . . . 64 I HG13 . 16835 1 817 . 1 1 64 64 ILE HG21 H 1 -0.048 0.000 . . . . . . 64 I QG2 . 16835 1 818 . 1 1 64 64 ILE HG22 H 1 -0.048 0.000 . . . . . . 64 I QG2 . 16835 1 819 . 1 1 64 64 ILE HG23 H 1 -0.048 0.000 . . . . . . 64 I QG2 . 16835 1 820 . 1 1 64 64 ILE C C 13 177.793 0.000 . 1 . . . . 64 I C . 16835 1 821 . 1 1 64 64 ILE CA C 13 63.827 0.000 . 1 . . . . 64 I CA . 16835 1 822 . 1 1 64 64 ILE CB C 13 36.445 0.000 . 1 . . . . 64 I CB . 16835 1 823 . 1 1 64 64 ILE CD1 C 13 12.093 0.000 . 1 . . . . 64 I CD1 . 16835 1 824 . 1 1 64 64 ILE CG1 C 13 26.283 0.000 . 1 . . . . 64 I CG1 . 16835 1 825 . 1 1 64 64 ILE CG2 C 13 16.929 0.000 . 1 . . . . 64 I CG2 . 16835 1 826 . 1 1 64 64 ILE N N 15 118.255 0.001 . 1 . . . . 64 I N . 16835 1 827 . 1 1 65 65 ARG H H 1 8.534 0.000 . 1 . . . . 65 R HN . 16835 1 828 . 1 1 65 65 ARG HA H 1 3.382 0.000 . 1 . . . . 65 R HA . 16835 1 829 . 1 1 65 65 ARG HB2 H 1 1.708 0.000 . 2 . . . . 65 R HB2 . 16835 1 830 . 1 1 65 65 ARG HB3 H 1 1.750 0.000 . 2 . . . . 65 R HB3 . 16835 1 831 . 1 1 65 65 ARG HD2 H 1 3.030 0.000 . 2 . . . . 65 R QD . 16835 1 832 . 1 1 65 65 ARG HD3 H 1 3.030 0.000 . 2 . . . . 65 R QD . 16835 1 833 . 1 1 65 65 ARG HG2 H 1 1.327 0.000 . 2 . . . . 65 R HG2 . 16835 1 834 . 1 1 65 65 ARG HG3 H 1 1.549 0.000 . 2 . . . . 65 R HG3 . 16835 1 835 . 1 1 65 65 ARG C C 13 178.398 0.000 . 1 . . . . 65 R C . 16835 1 836 . 1 1 65 65 ARG CA C 13 60.179 0.000 . 1 . . . . 65 R CA . 16835 1 837 . 1 1 65 65 ARG CB C 13 30.206 0.006 . 1 . . . . 65 R CB . 16835 1 838 . 1 1 65 65 ARG CD C 13 43.286 0.000 . 1 . . . . 65 R CD . 16835 1 839 . 1 1 65 65 ARG CG C 13 28.517 0.002 . 1 . . . . 65 R CG . 16835 1 840 . 1 1 65 65 ARG N N 15 119.285 0.000 . 1 . . . . 65 R N . 16835 1 841 . 1 1 66 66 LYS H H 1 7.613 0.000 . 1 . . . . 66 K HN . 16835 1 842 . 1 1 66 66 LYS HA H 1 3.986 0.000 . 1 . . . . 66 K HA . 16835 1 843 . 1 1 66 66 LYS HB2 H 1 1.715 0.000 . 2 . . . . 66 K HB2 . 16835 1 844 . 1 1 66 66 LYS HB3 H 1 1.754 0.000 . 2 . . . . 66 K HB3 . 16835 1 845 . 1 1 66 66 LYS HD2 H 1 1.584 0.000 . 2 . . . . 66 K QD . 16835 1 846 . 1 1 66 66 LYS HD3 H 1 1.584 0.000 . 2 . . . . 66 K QD . 16835 1 847 . 1 1 66 66 LYS HE2 H 1 2.850 0.000 . 2 . . . . 66 K QE . 16835 1 848 . 1 1 66 66 LYS HE3 H 1 2.850 0.000 . 2 . . . . 66 K QE . 16835 1 849 . 1 1 66 66 LYS HG2 H 1 1.277 0.000 . 2 . . . . 66 K HG2 . 16835 1 850 . 1 1 66 66 LYS HG3 H 1 1.356 0.000 . 2 . . . . 66 K HG3 . 16835 1 851 . 1 1 66 66 LYS C C 13 178.760 0.000 . 1 . . . . 66 K C . 16835 1 852 . 1 1 66 66 LYS CA C 13 58.226 0.000 . 1 . . . . 66 K CA . 16835 1 853 . 1 1 66 66 LYS CB C 13 32.013 0.003 . 1 . . . . 66 K CB . 16835 1 854 . 1 1 66 66 LYS CD C 13 28.880 0.000 . 1 . . . . 66 K CD . 16835 1 855 . 1 1 66 66 LYS CE C 13 41.993 0.000 . 1 . . . . 66 K CE . 16835 1 856 . 1 1 66 66 LYS CG C 13 24.715 0.014 . 1 . . . . 66 K CG . 16835 1 857 . 1 1 66 66 LYS N N 15 115.929 0.000 . 1 . . . . 66 K N . 16835 1 858 . 1 1 67 67 ARG H H 1 7.656 0.000 . 1 . . . . 67 R HN . 16835 1 859 . 1 1 67 67 ARG HA H 1 4.152 0.000 . 1 . . . . 67 R HA . 16835 1 860 . 1 1 67 67 ARG HB2 H 1 1.917 0.000 . 2 . . . . 67 R HB2 . 16835 1 861 . 1 1 67 67 ARG HB3 H 1 2.061 0.000 . 2 . . . . 67 R HB3 . 16835 1 862 . 1 1 67 67 ARG HD2 H 1 3.271 0.000 . 2 . . . . 67 R QD . 16835 1 863 . 1 1 67 67 ARG HD3 H 1 3.271 0.000 . 2 . . . . 67 R QD . 16835 1 864 . 1 1 67 67 ARG HG2 H 1 1.759 0.000 . 2 . . . . 67 R HG2 . 16835 1 865 . 1 1 67 67 ARG HG3 H 1 1.886 0.000 . 2 . . . . 67 R HG3 . 16835 1 866 . 1 1 67 67 ARG C C 13 177.980 0.000 . 1 . . . . 67 R C . 16835 1 867 . 1 1 67 67 ARG CA C 13 57.920 0.000 . 1 . . . . 67 R CA . 16835 1 868 . 1 1 67 67 ARG CB C 13 30.173 0.018 . 1 . . . . 67 R CB . 16835 1 869 . 1 1 67 67 ARG CD C 13 42.965 0.000 . 1 . . . . 67 R CD . 16835 1 870 . 1 1 67 67 ARG CG C 13 27.038 0.012 . 1 . . . . 67 R CG . 16835 1 871 . 1 1 67 67 ARG N N 15 118.540 0.000 . 1 . . . . 67 R N . 16835 1 872 . 1 1 68 68 ILE H H 1 7.692 0.000 . 1 . . . . 68 I HN . 16835 1 873 . 1 1 68 68 ILE HA H 1 4.226 0.000 . 1 . . . . 68 I HA . 16835 1 874 . 1 1 68 68 ILE HB H 1 1.811 0.000 . 1 . . . . 68 I HB . 16835 1 875 . 1 1 68 68 ILE HD11 H 1 0.524 0.000 . . . . . . 68 I QD1 . 16835 1 876 . 1 1 68 68 ILE HD12 H 1 0.524 0.000 . . . . . . 68 I QD1 . 16835 1 877 . 1 1 68 68 ILE HD13 H 1 0.524 0.000 . . . . . . 68 I QD1 . 16835 1 878 . 1 1 68 68 ILE HG12 H 1 1.123 0.000 . 2 . . . . 68 I HG12 . 16835 1 879 . 1 1 68 68 ILE HG13 H 1 1.283 0.000 . 2 . . . . 68 I HG13 . 16835 1 880 . 1 1 68 68 ILE HG21 H 1 0.761 0.000 . . . . . . 68 I QG2 . 16835 1 881 . 1 1 68 68 ILE HG22 H 1 0.761 0.000 . . . . . . 68 I QG2 . 16835 1 882 . 1 1 68 68 ILE HG23 H 1 0.761 0.000 . . . . . . 68 I QG2 . 16835 1 883 . 1 1 68 68 ILE C C 13 174.563 0.000 . 1 . . . . 68 I C . 16835 1 884 . 1 1 68 68 ILE CA C 13 61.469 0.000 . 1 . . . . 68 I CA . 16835 1 885 . 1 1 68 68 ILE CB C 13 38.885 0.000 . 1 . . . . 68 I CB . 16835 1 886 . 1 1 68 68 ILE CD1 C 13 14.632 0.000 . 1 . . . . 68 I CD1 . 16835 1 887 . 1 1 68 68 ILE CG1 C 13 26.334 0.000 . 1 . . . . 68 I CG1 . 16835 1 888 . 1 1 68 68 ILE CG2 C 13 17.778 0.000 . 1 . . . . 68 I CG2 . 16835 1 889 . 1 1 68 68 ILE N N 15 112.428 0.000 . 1 . . . . 68 I N . 16835 1 890 . 1 1 69 69 MET H H 1 7.846 0.000 . 1 . . . . 69 M HN . 16835 1 891 . 1 1 69 69 MET HA H 1 4.014 0.000 . 1 . . . . 69 M HA . 16835 1 892 . 1 1 69 69 MET HB2 H 1 2.095 0.000 . 2 . . . . 69 M HB2 . 16835 1 893 . 1 1 69 69 MET HB3 H 1 2.209 0.000 . 2 . . . . 69 M HB3 . 16835 1 894 . 1 1 69 69 MET HE1 H 1 2.081 0.000 . . . . . . 69 M QE . 16835 1 895 . 1 1 69 69 MET HE2 H 1 2.081 0.000 . . . . . . 69 M QE . 16835 1 896 . 1 1 69 69 MET HE3 H 1 2.081 0.000 . . . . . . 69 M QE . 16835 1 897 . 1 1 69 69 MET HG2 H 1 2.470 0.000 . 2 . . . . 69 M QG . 16835 1 898 . 1 1 69 69 MET HG3 H 1 2.470 0.000 . 2 . . . . 69 M QG . 16835 1 899 . 1 1 69 69 MET C C 13 175.425 0.000 . 1 . . . . 69 M C . 16835 1 900 . 1 1 69 69 MET CA C 13 55.719 0.000 . 1 . . . . 69 M CA . 16835 1 901 . 1 1 69 69 MET CB C 13 29.357 0.000 . 1 . . . . 69 M CB . 16835 1 902 . 1 1 69 69 MET CE C 13 16.898 0.000 . 1 . . . . 69 M CE . 16835 1 903 . 1 1 69 69 MET CG C 13 32.323 0.000 . 1 . . . . 69 M CG . 16835 1 904 . 1 1 69 69 MET N N 15 118.612 0.000 . 1 . . . . 69 M N . 16835 1 905 . 1 1 70 70 LEU H H 1 7.445 0.000 . 1 . . . . 70 L HN . 16835 1 906 . 1 1 70 70 LEU HA H 1 4.629 0.000 . 1 . . . . 70 L HA . 16835 1 907 . 1 1 70 70 LEU HB2 H 1 1.570 0.000 . 2 . . . . 70 L HB2 . 16835 1 908 . 1 1 70 70 LEU HB3 H 1 1.230 0.000 . 2 . . . . 70 L HB3 . 16835 1 909 . 1 1 70 70 LEU HD11 H 1 0.894 0.000 . . . . . . 70 L QD1 . 16835 1 910 . 1 1 70 70 LEU HD12 H 1 0.894 0.000 . . . . . . 70 L QD1 . 16835 1 911 . 1 1 70 70 LEU HD13 H 1 0.894 0.000 . . . . . . 70 L QD1 . 16835 1 912 . 1 1 70 70 LEU HD21 H 1 0.766 0.000 . . . . . . 70 L QD2 . 16835 1 913 . 1 1 70 70 LEU HD22 H 1 0.766 0.000 . . . . . . 70 L QD2 . 16835 1 914 . 1 1 70 70 LEU HD23 H 1 0.766 0.000 . . . . . . 70 L QD2 . 16835 1 915 . 1 1 70 70 LEU HG H 1 1.588 0.000 . 1 . . . . 70 L HG . 16835 1 916 . 1 1 70 70 LEU CA C 13 52.505 0.000 . 1 . . . . 70 L CA . 16835 1 917 . 1 1 70 70 LEU CB C 13 44.094 0.024 . 1 . . . . 70 L CB . 16835 1 918 . 1 1 70 70 LEU CD1 C 13 25.378 0.000 . 2 . . . . 70 L CD1 . 16835 1 919 . 1 1 70 70 LEU CD2 C 13 25.941 0.000 . 2 . . . . 70 L CD2 . 16835 1 920 . 1 1 70 70 LEU CG C 13 26.522 0.000 . 1 . . . . 70 L CG . 16835 1 921 . 1 1 70 70 LEU N N 15 122.023 0.000 . 1 . . . . 70 L N . 16835 1 922 . 1 1 71 71 PRO HA H 1 4.680 0.000 . 1 . . . . 71 P HA . 16835 1 923 . 1 1 71 71 PRO HB2 H 1 2.028 0.000 . 2 . . . . 71 P HB2 . 16835 1 924 . 1 1 71 71 PRO HB3 H 1 2.487 0.000 . 2 . . . . 71 P HB3 . 16835 1 925 . 1 1 71 71 PRO HD2 H 1 3.505 0.000 . 2 . . . . 71 P HD2 . 16835 1 926 . 1 1 71 71 PRO HD3 H 1 4.102 0.000 . 2 . . . . 71 P HD3 . 16835 1 927 . 1 1 71 71 PRO HG2 H 1 2.028 0.000 . 2 . . . . 71 P HG2 . 16835 1 928 . 1 1 71 71 PRO HG3 H 1 2.110 0.000 . 2 . . . . 71 P HG3 . 16835 1 929 . 1 1 71 71 PRO CA C 13 62.090 0.000 . 1 . . . . 71 P CA . 16835 1 930 . 1 1 71 71 PRO CB C 13 31.309 0.007 . 1 . . . . 71 P CB . 16835 1 931 . 1 1 71 71 PRO CD C 13 51.321 0.001 . 1 . . . . 71 P CD . 16835 1 932 . 1 1 71 71 PRO CG C 13 27.724 0.012 . 1 . . . . 71 P CG . 16835 1 933 . 1 1 72 72 PRO HA H 1 4.105 0.000 . 1 . . . . 72 P HA . 16835 1 934 . 1 1 72 72 PRO HB2 H 1 1.941 0.000 . 2 . . . . 72 P HB2 . 16835 1 935 . 1 1 72 72 PRO HB3 H 1 2.322 0.000 . 2 . . . . 72 P HB3 . 16835 1 936 . 1 1 72 72 PRO HD2 H 1 3.785 0.000 . 2 . . . . 72 P QD . 16835 1 937 . 1 1 72 72 PRO HD3 H 1 3.785 0.000 . 2 . . . . 72 P QD . 16835 1 938 . 1 1 72 72 PRO HG2 H 1 2.052 0.000 . 2 . . . . 72 P HG2 . 16835 1 939 . 1 1 72 72 PRO HG3 H 1 2.098 0.000 . 2 . . . . 72 P HG3 . 16835 1 940 . 1 1 72 72 PRO C C 13 177.036 0.000 . 1 . . . . 72 P C . 16835 1 941 . 1 1 72 72 PRO CA C 13 64.948 0.000 . 1 . . . . 72 P CA . 16835 1 942 . 1 1 72 72 PRO CB C 13 32.032 0.027 . 1 . . . . 72 P CB . 16835 1 943 . 1 1 72 72 PRO CD C 13 50.701 0.000 . 1 . . . . 72 P CD . 16835 1 944 . 1 1 72 72 PRO CG C 13 27.540 0.005 . 1 . . . . 72 P CG . 16835 1 945 . 1 1 73 73 GLU H H 1 9.051 0.000 . 1 . . . . 73 E HN . 16835 1 946 . 1 1 73 73 GLU HA H 1 4.163 0.000 . 1 . . . . 73 E HA . 16835 1 947 . 1 1 73 73 GLU HB2 H 1 2.030 0.000 . 2 . . . . 73 E HB2 . 16835 1 948 . 1 1 73 73 GLU HB3 H 1 2.073 0.000 . 2 . . . . 73 E HB3 . 16835 1 949 . 1 1 73 73 GLU HG2 H 1 2.207 0.000 . 2 . . . . 73 E HG2 . 16835 1 950 . 1 1 73 73 GLU HG3 H 1 2.306 0.000 . 2 . . . . 73 E HG3 . 16835 1 951 . 1 1 73 73 GLU C C 13 176.433 0.000 . 1 . . . . 73 E C . 16835 1 952 . 1 1 73 73 GLU CA C 13 57.740 0.000 . 1 . . . . 73 E CA . 16835 1 953 . 1 1 73 73 GLU CB C 13 28.331 0.005 . 1 . . . . 73 E CB . 16835 1 954 . 1 1 73 73 GLU CG C 13 36.212 0.007 . 1 . . . . 73 E CG . 16835 1 955 . 1 1 73 73 GLU N N 15 115.155 0.000 . 1 . . . . 73 E N . 16835 1 956 . 1 1 74 74 LYS H H 1 7.786 0.000 . 1 . . . . 74 K HN . 16835 1 957 . 1 1 74 74 LYS HA H 1 4.507 0.000 . 1 . . . . 74 K HA . 16835 1 958 . 1 1 74 74 LYS HB2 H 1 1.762 0.000 . 2 . . . . 74 K HB2 . 16835 1 959 . 1 1 74 74 LYS HB3 H 1 1.916 0.000 . 2 . . . . 74 K HB3 . 16835 1 960 . 1 1 74 74 LYS HD2 H 1 1.730 0.000 . 2 . . . . 74 K QD . 16835 1 961 . 1 1 74 74 LYS HD3 H 1 1.730 0.000 . 2 . . . . 74 K QD . 16835 1 962 . 1 1 74 74 LYS HE2 H 1 3.049 0.000 . 2 . . . . 74 K QE . 16835 1 963 . 1 1 74 74 LYS HE3 H 1 3.049 0.000 . 2 . . . . 74 K QE . 16835 1 964 . 1 1 74 74 LYS HG2 H 1 1.401 0.000 . 2 . . . . 74 K HG2 . 16835 1 965 . 1 1 74 74 LYS HG3 H 1 1.454 0.000 . 2 . . . . 74 K HG3 . 16835 1 966 . 1 1 74 74 LYS C C 13 174.809 0.000 . 1 . . . . 74 K C . 16835 1 967 . 1 1 74 74 LYS CA C 13 54.751 0.000 . 1 . . . . 74 K CA . 16835 1 968 . 1 1 74 74 LYS CB C 13 32.744 0.010 . 1 . . . . 74 K CB . 16835 1 969 . 1 1 74 74 LYS CD C 13 28.815 0.000 . 1 . . . . 74 K CD . 16835 1 970 . 1 1 74 74 LYS CE C 13 42.273 0.000 . 1 . . . . 74 K CE . 16835 1 971 . 1 1 74 74 LYS CG C 13 25.239 0.000 . 1 . . . . 74 K CG . 16835 1 972 . 1 1 74 74 LYS N N 15 121.775 0.000 . 1 . . . . 74 K N . 16835 1 973 . 1 1 75 75 ALA H H 1 8.416 0.000 . 1 . . . . 75 A HN . 16835 1 974 . 1 1 75 75 ALA HA H 1 4.033 0.000 . 1 . . . . 75 A HA . 16835 1 975 . 1 1 75 75 ALA HB1 H 1 1.207 0.000 . . . . . . 75 A QB . 16835 1 976 . 1 1 75 75 ALA HB2 H 1 1.207 0.000 . . . . . . 75 A QB . 16835 1 977 . 1 1 75 75 ALA HB3 H 1 1.207 0.000 . . . . . . 75 A QB . 16835 1 978 . 1 1 75 75 ALA C C 13 175.775 0.000 . 1 . . . . 75 A C . 16835 1 979 . 1 1 75 75 ALA CA C 13 52.307 0.000 . 1 . . . . 75 A CA . 16835 1 980 . 1 1 75 75 ALA CB C 13 20.863 0.000 . 1 . . . . 75 A CB . 16835 1 981 . 1 1 75 75 ALA N N 15 128.167 0.000 . 1 . . . . 75 A N . 16835 1 982 . 1 1 76 76 ILE H H 1 7.162 0.000 . 1 . . . . 76 I HN . 16835 1 983 . 1 1 76 76 ILE HA H 1 4.539 0.000 . 1 . . . . 76 I HA . 16835 1 984 . 1 1 76 76 ILE HB H 1 1.383 0.000 . 1 . . . . 76 I HB . 16835 1 985 . 1 1 76 76 ILE HD11 H 1 0.516 0.000 . . . . . . 76 I QD1 . 16835 1 986 . 1 1 76 76 ILE HD12 H 1 0.516 0.000 . . . . . . 76 I QD1 . 16835 1 987 . 1 1 76 76 ILE HD13 H 1 0.516 0.000 . . . . . . 76 I QD1 . 16835 1 988 . 1 1 76 76 ILE HG12 H 1 1.383 0.000 . 2 . . . . 76 I HG12 . 16835 1 989 . 1 1 76 76 ILE HG13 H 1 0.775 0.000 . 2 . . . . 76 I HG13 . 16835 1 990 . 1 1 76 76 ILE HG21 H 1 0.617 0.000 . . . . . . 76 I QG2 . 16835 1 991 . 1 1 76 76 ILE HG22 H 1 0.617 0.000 . . . . . . 76 I QG2 . 16835 1 992 . 1 1 76 76 ILE HG23 H 1 0.617 0.000 . . . . . . 76 I QG2 . 16835 1 993 . 1 1 76 76 ILE C C 13 172.523 0.000 . 1 . . . . 76 I C . 16835 1 994 . 1 1 76 76 ILE CA C 13 59.915 0.000 . 1 . . . . 76 I CA . 16835 1 995 . 1 1 76 76 ILE CB C 13 41.230 0.000 . 1 . . . . 76 I CB . 16835 1 996 . 1 1 76 76 ILE CD1 C 13 13.914 0.000 . 1 . . . . 76 I CD1 . 16835 1 997 . 1 1 76 76 ILE CG1 C 13 27.822 0.007 . 1 . . . . 76 I CG1 . 16835 1 998 . 1 1 76 76 ILE CG2 C 13 16.770 0.000 . 1 . . . . 76 I CG2 . 16835 1 999 . 1 1 76 76 ILE N N 15 114.451 0.000 . 1 . . . . 76 I N . 16835 1 1000 . 1 1 77 77 PHE H H 1 8.935 0.000 . 1 . . . . 77 F HN . 16835 1 1001 . 1 1 77 77 PHE HA H 1 4.533 0.000 . 1 . . . . 77 F HA . 16835 1 1002 . 1 1 77 77 PHE HB2 H 1 2.479 0.000 . 2 . . . . 77 F HB2 . 16835 1 1003 . 1 1 77 77 PHE HB3 H 1 2.591 0.000 . 2 . . . . 77 F HB3 . 16835 1 1004 . 1 1 77 77 PHE HD1 H 1 6.964 0.002 . 3 . . . . 77 F QD . 16835 1 1005 . 1 1 77 77 PHE HD2 H 1 6.964 0.002 . 3 . . . . 77 F QD . 16835 1 1006 . 1 1 77 77 PHE HE1 H 1 7.200 0.000 . 3 . . . . 77 F QE . 16835 1 1007 . 1 1 77 77 PHE HE2 H 1 7.200 0.000 . 3 . . . . 77 F QE . 16835 1 1008 . 1 1 77 77 PHE HZ H 1 7.225 0.000 . 1 . . . . 77 F HZ . 16835 1 1009 . 1 1 77 77 PHE C C 13 174.412 0.000 . 1 . . . . 77 F C . 16835 1 1010 . 1 1 77 77 PHE CA C 13 56.560 0.000 . 1 . . . . 77 F CA . 16835 1 1011 . 1 1 77 77 PHE CB C 13 42.405 0.046 . 1 . . . . 77 F CB . 16835 1 1012 . 1 1 77 77 PHE CD1 C 13 132.218 0.000 . 3 . . . . 77 F CD1 . 16835 1 1013 . 1 1 77 77 PHE CE1 C 13 131.083 0.000 . 3 . . . . 77 F CE1 . 16835 1 1014 . 1 1 77 77 PHE CZ C 13 129.529 0.000 . 1 . . . . 77 F CZ . 16835 1 1015 . 1 1 77 77 PHE N N 15 124.098 0.000 . 1 . . . . 77 F N . 16835 1 1016 . 1 1 78 78 ILE H H 1 8.005 0.000 . 1 . . . . 78 I HN . 16835 1 1017 . 1 1 78 78 ILE HA H 1 5.197 0.000 . 1 . . . . 78 I HA . 16835 1 1018 . 1 1 78 78 ILE HB H 1 1.795 0.000 . 1 . . . . 78 I HB . 16835 1 1019 . 1 1 78 78 ILE HD11 H 1 0.773 0.000 . . . . . . 78 I QD1 . 16835 1 1020 . 1 1 78 78 ILE HD12 H 1 0.773 0.000 . . . . . . 78 I QD1 . 16835 1 1021 . 1 1 78 78 ILE HD13 H 1 0.773 0.000 . . . . . . 78 I QD1 . 16835 1 1022 . 1 1 78 78 ILE HG12 H 1 1.341 0.000 . 2 . . . . 78 I HG12 . 16835 1 1023 . 1 1 78 78 ILE HG13 H 1 1.151 0.000 . 2 . . . . 78 I HG13 . 16835 1 1024 . 1 1 78 78 ILE HG21 H 1 0.776 0.000 . . . . . . 78 I QG2 . 16835 1 1025 . 1 1 78 78 ILE HG22 H 1 0.776 0.000 . . . . . . 78 I QG2 . 16835 1 1026 . 1 1 78 78 ILE HG23 H 1 0.776 0.000 . . . . . . 78 I QG2 . 16835 1 1027 . 1 1 78 78 ILE C C 13 173.290 0.000 . 1 . . . . 78 I C . 16835 1 1028 . 1 1 78 78 ILE CA C 13 58.109 0.000 . 1 . . . . 78 I CA . 16835 1 1029 . 1 1 78 78 ILE CB C 13 39.361 0.000 . 1 . . . . 78 I CB . 16835 1 1030 . 1 1 78 78 ILE CD1 C 13 12.871 0.000 . 1 . . . . 78 I CD1 . 16835 1 1031 . 1 1 78 78 ILE CG1 C 13 26.753 0.014 . 1 . . . . 78 I CG1 . 16835 1 1032 . 1 1 78 78 ILE CG2 C 13 17.347 0.000 . 1 . . . . 78 I CG2 . 16835 1 1033 . 1 1 78 78 ILE N N 15 117.560 0.000 . 1 . . . . 78 I N . 16835 1 1034 . 1 1 79 79 PHE H H 1 9.182 0.000 . 1 . . . . 79 F HN . 16835 1 1035 . 1 1 79 79 PHE HA H 1 5.334 0.000 . 1 . . . . 79 F HA . 16835 1 1036 . 1 1 79 79 PHE HB2 H 1 2.925 0.000 . 2 . . . . 79 F QB . 16835 1 1037 . 1 1 79 79 PHE HB3 H 1 2.925 0.000 . 2 . . . . 79 F QB . 16835 1 1038 . 1 1 79 79 PHE HD1 H 1 6.933 0.004 . 3 . . . . 79 F QD . 16835 1 1039 . 1 1 79 79 PHE HD2 H 1 6.933 0.004 . 3 . . . . 79 F QD . 16835 1 1040 . 1 1 79 79 PHE HE1 H 1 7.178 0.000 . 3 . . . . 79 F QE . 16835 1 1041 . 1 1 79 79 PHE HE2 H 1 7.178 0.000 . 3 . . . . 79 F QE . 16835 1 1042 . 1 1 79 79 PHE HZ H 1 7.038 0.000 . 1 . . . . 79 F HZ . 16835 1 1043 . 1 1 79 79 PHE C C 13 176.270 0.000 . 1 . . . . 79 F C . 16835 1 1044 . 1 1 79 79 PHE CA C 13 55.927 0.000 . 1 . . . . 79 F CA . 16835 1 1045 . 1 1 79 79 PHE CB C 13 42.725 0.033 . 1 . . . . 79 F CB . 16835 1 1046 . 1 1 79 79 PHE CD1 C 13 131.861 0.000 . 3 . . . . 79 F CD1 . 16835 1 1047 . 1 1 79 79 PHE CE1 C 13 131.195 0.000 . 3 . . . . 79 F CE1 . 16835 1 1048 . 1 1 79 79 PHE CZ C 13 129.281 0.000 . 1 . . . . 79 F CZ . 16835 1 1049 . 1 1 79 79 PHE N N 15 120.940 0.000 . 1 . . . . 79 F N . 16835 1 1050 . 1 1 80 80 VAL H H 1 8.818 0.000 . 1 . . . . 80 V HN . 16835 1 1051 . 1 1 80 80 VAL HA H 1 4.502 0.000 . 1 . . . . 80 V HA . 16835 1 1052 . 1 1 80 80 VAL HB H 1 1.566 0.000 . 1 . . . . 80 V HB . 16835 1 1053 . 1 1 80 80 VAL HG11 H 1 0.658 0.000 . . . . . . 80 V QG1 . 16835 1 1054 . 1 1 80 80 VAL HG12 H 1 0.658 0.000 . . . . . . 80 V QG1 . 16835 1 1055 . 1 1 80 80 VAL HG13 H 1 0.658 0.000 . . . . . . 80 V QG1 . 16835 1 1056 . 1 1 80 80 VAL HG21 H 1 0.726 0.000 . . . . . . 80 V QG2 . 16835 1 1057 . 1 1 80 80 VAL HG22 H 1 0.726 0.000 . . . . . . 80 V QG2 . 16835 1 1058 . 1 1 80 80 VAL HG23 H 1 0.726 0.000 . . . . . . 80 V QG2 . 16835 1 1059 . 1 1 80 80 VAL C C 13 175.737 0.000 . 1 . . . . 80 V C . 16835 1 1060 . 1 1 80 80 VAL CA C 13 60.484 0.000 . 1 . . . . 80 V CA . 16835 1 1061 . 1 1 80 80 VAL CB C 13 34.243 0.000 . 1 . . . . 80 V CB . 16835 1 1062 . 1 1 80 80 VAL CG1 C 13 21.407 0.000 . 2 . . . . 80 V CG1 . 16835 1 1063 . 1 1 80 80 VAL CG2 C 13 20.673 0.000 . 2 . . . . 80 V CG2 . 16835 1 1064 . 1 1 80 80 VAL N N 15 118.049 0.000 . 1 . . . . 80 V N . 16835 1 1065 . 1 1 81 81 ASN H H 1 9.683 0.000 . 1 . . . . 81 N HN . 16835 1 1066 . 1 1 81 81 ASN HA H 1 4.329 0.000 . 1 . . . . 81 N HA . 16835 1 1067 . 1 1 81 81 ASN HB2 H 1 2.786 0.000 . 2 . . . . 81 N HB2 . 16835 1 1068 . 1 1 81 81 ASN HB3 H 1 3.034 0.000 . 2 . . . . 81 N HB3 . 16835 1 1069 . 1 1 81 81 ASN HD21 H 1 7.130 0.002 . 2 . . . . 81 N HD21 . 16835 1 1070 . 1 1 81 81 ASN HD22 H 1 8.747 0.001 . 2 . . . . 81 N HD22 . 16835 1 1071 . 1 1 81 81 ASN C C 13 174.053 0.000 . 1 . . . . 81 N C . 16835 1 1072 . 1 1 81 81 ASN CA C 13 55.238 0.000 . 1 . . . . 81 N CA . 16835 1 1073 . 1 1 81 81 ASN CB C 13 37.442 0.002 . 1 . . . . 81 N CB . 16835 1 1074 . 1 1 81 81 ASN CG C 13 177.933 0.000 . 1 . . . . 81 N CG . 16835 1 1075 . 1 1 81 81 ASN N N 15 127.644 0.000 . 1 . . . . 81 N N . 16835 1 1076 . 1 1 81 81 ASN ND2 N 15 116.023 0.000 . 1 . . . . 81 N ND2 . 16835 1 1077 . 1 1 82 82 ASP H H 1 8.778 0.000 . 1 . . . . 82 D HN . 16835 1 1078 . 1 1 82 82 ASP HA H 1 4.146 0.000 . 1 . . . . 82 D HA . 16835 1 1079 . 1 1 82 82 ASP HB2 H 1 2.689 0.000 . 2 . . . . 82 D HB2 . 16835 1 1080 . 1 1 82 82 ASP HB3 H 1 2.820 0.000 . 2 . . . . 82 D HB3 . 16835 1 1081 . 1 1 82 82 ASP C C 13 174.572 0.000 . 1 . . . . 82 D C . 16835 1 1082 . 1 1 82 82 ASP CA C 13 55.586 0.000 . 1 . . . . 82 D CA . 16835 1 1083 . 1 1 82 82 ASP CB C 13 39.556 0.058 . 1 . . . . 82 D CB . 16835 1 1084 . 1 1 82 82 ASP N N 15 112.822 0.000 . 1 . . . . 82 D N . 16835 1 1085 . 1 1 83 83 THR H H 1 8.071 0.000 . 1 . . . . 83 T HN . 16835 1 1086 . 1 1 83 83 THR HA H 1 4.704 0.000 . 1 . . . . 83 T HA . 16835 1 1087 . 1 1 83 83 THR HB H 1 4.121 0.000 . 1 . . . . 83 T HB . 16835 1 1088 . 1 1 83 83 THR HG21 H 1 1.208 0.000 . . . . . . 83 T QG2 . 16835 1 1089 . 1 1 83 83 THR HG22 H 1 1.208 0.000 . . . . . . 83 T QG2 . 16835 1 1090 . 1 1 83 83 THR HG23 H 1 1.208 0.000 . . . . . . 83 T QG2 . 16835 1 1091 . 1 1 83 83 THR C C 13 172.186 0.000 . 1 . . . . 83 T C . 16835 1 1092 . 1 1 83 83 THR CA C 13 60.849 0.000 . 1 . . . . 83 T CA . 16835 1 1093 . 1 1 83 83 THR CB C 13 72.216 0.000 . 1 . . . . 83 T CB . 16835 1 1094 . 1 1 83 83 THR CG2 C 13 21.275 0.000 . 1 . . . . 83 T CG2 . 16835 1 1095 . 1 1 83 83 THR N N 15 112.609 0.000 . 1 . . . . 83 T N . 16835 1 1096 . 1 1 84 84 LEU H H 1 8.509 0.000 . 1 . . . . 84 L HN . 16835 1 1097 . 1 1 84 84 LEU HA H 1 5.093 0.000 . 1 . . . . 84 L HA . 16835 1 1098 . 1 1 84 84 LEU HB2 H 1 1.672 0.000 . 2 . . . . 84 L HB2 . 16835 1 1099 . 1 1 84 84 LEU HB3 H 1 1.452 0.000 . 2 . . . . 84 L HB3 . 16835 1 1100 . 1 1 84 84 LEU HD11 H 1 0.756 0.000 . . . . . . 84 L QD1 . 16835 1 1101 . 1 1 84 84 LEU HD12 H 1 0.756 0.000 . . . . . . 84 L QD1 . 16835 1 1102 . 1 1 84 84 LEU HD13 H 1 0.756 0.000 . . . . . . 84 L QD1 . 16835 1 1103 . 1 1 84 84 LEU HD21 H 1 0.607 0.000 . . . . . . 84 L QD2 . 16835 1 1104 . 1 1 84 84 LEU HD22 H 1 0.607 0.000 . . . . . . 84 L QD2 . 16835 1 1105 . 1 1 84 84 LEU HD23 H 1 0.607 0.000 . . . . . . 84 L QD2 . 16835 1 1106 . 1 1 84 84 LEU HG H 1 1.341 0.000 . 1 . . . . 84 L HG . 16835 1 1107 . 1 1 84 84 LEU CA C 13 51.936 0.000 . 1 . . . . 84 L CA . 16835 1 1108 . 1 1 84 84 LEU CB C 13 42.733 0.000 . 1 . . . . 84 L CB . 16835 1 1109 . 1 1 84 84 LEU CD1 C 13 25.368 0.000 . 2 . . . . 84 L CD1 . 16835 1 1110 . 1 1 84 84 LEU CD2 C 13 25.499 0.000 . 2 . . . . 84 L CD2 . 16835 1 1111 . 1 1 84 84 LEU CG C 13 27.093 0.000 . 1 . . . . 84 L CG . 16835 1 1112 . 1 1 84 84 LEU N N 15 125.951 0.000 . 1 . . . . 84 L N . 16835 1 1113 . 1 1 85 85 PRO HA H 1 4.821 0.000 . 1 . . . . 85 P HA . 16835 1 1114 . 1 1 85 85 PRO HB2 H 1 1.840 0.000 . 2 . . . . 85 P HB2 . 16835 1 1115 . 1 1 85 85 PRO HB3 H 1 2.199 0.000 . 2 . . . . 85 P HB3 . 16835 1 1116 . 1 1 85 85 PRO HD2 H 1 3.945 0.000 . 2 . . . . 85 P HD2 . 16835 1 1117 . 1 1 85 85 PRO HD3 H 1 4.245 0.000 . 2 . . . . 85 P HD3 . 16835 1 1118 . 1 1 85 85 PRO HG2 H 1 1.669 0.000 . 2 . . . . 85 P HG2 . 16835 1 1119 . 1 1 85 85 PRO HG3 H 1 1.911 0.000 . 2 . . . . 85 P HG3 . 16835 1 1120 . 1 1 85 85 PRO CA C 13 60.908 0.000 . 1 . . . . 85 P CA . 16835 1 1121 . 1 1 85 85 PRO CB C 13 30.803 0.003 . 1 . . . . 85 P CB . 16835 1 1122 . 1 1 85 85 PRO CD C 13 50.776 0.033 . 1 . . . . 85 P CD . 16835 1 1123 . 1 1 85 85 PRO CG C 13 26.846 0.024 . 1 . . . . 85 P CG . 16835 1 1124 . 1 1 86 86 PRO HA H 1 4.568 0.000 . 1 . . . . 86 P HA . 16835 1 1125 . 1 1 86 86 PRO HB2 H 1 1.992 0.000 . 2 . . . . 86 P HB2 . 16835 1 1126 . 1 1 86 86 PRO HB3 H 1 2.467 0.000 . 2 . . . . 86 P HB3 . 16835 1 1127 . 1 1 86 86 PRO HD2 H 1 3.526 0.000 . 2 . . . . 86 P HD2 . 16835 1 1128 . 1 1 86 86 PRO HD3 H 1 3.944 0.000 . 2 . . . . 86 P HD3 . 16835 1 1129 . 1 1 86 86 PRO HG2 H 1 2.122 0.000 . 2 . . . . 86 P HG2 . 16835 1 1130 . 1 1 86 86 PRO HG3 H 1 2.177 0.000 . 2 . . . . 86 P HG3 . 16835 1 1131 . 1 1 86 86 PRO C C 13 177.890 0.000 . 1 . . . . 86 P C . 16835 1 1132 . 1 1 86 86 PRO CA C 13 62.477 0.000 . 1 . . . . 86 P CA . 16835 1 1133 . 1 1 86 86 PRO CB C 13 31.924 0.017 . 1 . . . . 86 P CB . 16835 1 1134 . 1 1 86 86 PRO CD C 13 50.581 0.007 . 1 . . . . 86 P CD . 16835 1 1135 . 1 1 86 86 PRO CG C 13 27.773 0.007 . 1 . . . . 86 P CG . 16835 1 1136 . 1 1 87 87 THR H H 1 8.288 0.000 . 1 . . . . 87 T HN . 16835 1 1137 . 1 1 87 87 THR HA H 1 3.798 0.000 . 1 . . . . 87 T HA . 16835 1 1138 . 1 1 87 87 THR HB H 1 4.158 0.000 . 1 . . . . 87 T HB . 16835 1 1139 . 1 1 87 87 THR HG21 H 1 1.321 0.000 . . . . . . 87 T QG2 . 16835 1 1140 . 1 1 87 87 THR HG22 H 1 1.321 0.000 . . . . . . 87 T QG2 . 16835 1 1141 . 1 1 87 87 THR HG23 H 1 1.321 0.000 . . . . . . 87 T QG2 . 16835 1 1142 . 1 1 87 87 THR C C 13 175.704 0.000 . 1 . . . . 87 T C . 16835 1 1143 . 1 1 87 87 THR CA C 13 65.094 0.000 . 1 . . . . 87 T CA . 16835 1 1144 . 1 1 87 87 THR CB C 13 68.800 0.000 . 1 . . . . 87 T CB . 16835 1 1145 . 1 1 87 87 THR CG2 C 13 22.385 0.000 . 1 . . . . 87 T CG2 . 16835 1 1146 . 1 1 87 87 THR N N 15 114.865 0.000 . 1 . . . . 87 T N . 16835 1 1147 . 1 1 88 88 ALA H H 1 8.032 0.000 . 1 . . . . 88 A HN . 16835 1 1148 . 1 1 88 88 ALA HA H 1 4.416 0.000 . 1 . . . . 88 A HA . 16835 1 1149 . 1 1 88 88 ALA HB1 H 1 1.439 0.000 . . . . . . 88 A QB . 16835 1 1150 . 1 1 88 88 ALA HB2 H 1 1.439 0.000 . . . . . . 88 A QB . 16835 1 1151 . 1 1 88 88 ALA HB3 H 1 1.439 0.000 . . . . . . 88 A QB . 16835 1 1152 . 1 1 88 88 ALA C C 13 177.728 0.000 . 1 . . . . 88 A C . 16835 1 1153 . 1 1 88 88 ALA CA C 13 52.072 0.000 . 1 . . . . 88 A CA . 16835 1 1154 . 1 1 88 88 ALA CB C 13 19.324 0.000 . 1 . . . . 88 A CB . 16835 1 1155 . 1 1 88 88 ALA N N 15 119.678 0.000 . 1 . . . . 88 A N . 16835 1 1156 . 1 1 89 89 ALA H H 1 7.464 0.000 . 1 . . . . 89 A HN . 16835 1 1157 . 1 1 89 89 ALA HA H 1 4.188 0.000 . 1 . . . . 89 A HA . 16835 1 1158 . 1 1 89 89 ALA HB1 H 1 1.449 0.000 . . . . . . 89 A QB . 16835 1 1159 . 1 1 89 89 ALA HB2 H 1 1.449 0.000 . . . . . . 89 A QB . 16835 1 1160 . 1 1 89 89 ALA HB3 H 1 1.449 0.000 . . . . . . 89 A QB . 16835 1 1161 . 1 1 89 89 ALA C C 13 176.577 0.000 . 1 . . . . 89 A C . 16835 1 1162 . 1 1 89 89 ALA CA C 13 52.417 0.000 . 1 . . . . 89 A CA . 16835 1 1163 . 1 1 89 89 ALA CB C 13 19.274 0.000 . 1 . . . . 89 A CB . 16835 1 1164 . 1 1 89 89 ALA N N 15 120.361 0.000 . 1 . . . . 89 A N . 16835 1 1165 . 1 1 90 90 LEU H H 1 8.492 0.000 . 1 . . . . 90 L HN . 16835 1 1166 . 1 1 90 90 LEU HA H 1 4.463 0.000 . 1 . . . . 90 L HA . 16835 1 1167 . 1 1 90 90 LEU HB2 H 1 1.805 0.000 . 2 . . . . 90 L HB2 . 16835 1 1168 . 1 1 90 90 LEU HB3 H 1 1.719 0.000 . 2 . . . . 90 L HB3 . 16835 1 1169 . 1 1 90 90 LEU HD11 H 1 0.836 0.000 . . . . . . 90 L QD1 . 16835 1 1170 . 1 1 90 90 LEU HD12 H 1 0.836 0.000 . . . . . . 90 L QD1 . 16835 1 1171 . 1 1 90 90 LEU HD13 H 1 0.836 0.000 . . . . . . 90 L QD1 . 16835 1 1172 . 1 1 90 90 LEU HD21 H 1 0.974 0.000 . . . . . . 90 L QD2 . 16835 1 1173 . 1 1 90 90 LEU HD22 H 1 0.974 0.000 . . . . . . 90 L QD2 . 16835 1 1174 . 1 1 90 90 LEU HD23 H 1 0.974 0.000 . . . . . . 90 L QD2 . 16835 1 1175 . 1 1 90 90 LEU HG H 1 1.820 0.000 . 1 . . . . 90 L HG . 16835 1 1176 . 1 1 90 90 LEU C C 13 179.517 0.000 . 1 . . . . 90 L C . 16835 1 1177 . 1 1 90 90 LEU CA C 13 54.660 0.000 . 1 . . . . 90 L CA . 16835 1 1178 . 1 1 90 90 LEU CB C 13 42.577 0.013 . 1 . . . . 90 L CB . 16835 1 1179 . 1 1 90 90 LEU CD1 C 13 23.225 0.000 . 2 . . . . 90 L CD1 . 16835 1 1180 . 1 1 90 90 LEU CD2 C 13 25.385 0.000 . 2 . . . . 90 L CD2 . 16835 1 1181 . 1 1 90 90 LEU CG C 13 27.609 0.000 . 1 . . . . 90 L CG . 16835 1 1182 . 1 1 90 90 LEU N N 15 119.426 0.000 . 1 . . . . 90 L N . 16835 1 1183 . 1 1 91 91 MET H H 1 9.228 0.000 . 1 . . . . 91 M HN . 16835 1 1184 . 1 1 91 91 MET HA H 1 4.264 0.000 . 1 . . . . 91 M HA . 16835 1 1185 . 1 1 91 91 MET HB2 H 1 1.488 0.000 . 2 . . . . 91 M HB2 . 16835 1 1186 . 1 1 91 91 MET HB3 H 1 2.090 0.000 . 2 . . . . 91 M HB3 . 16835 1 1187 . 1 1 91 91 MET HE1 H 1 1.193 0.000 . . . . . . 91 M QE . 16835 1 1188 . 1 1 91 91 MET HE2 H 1 1.193 0.000 . . . . . . 91 M QE . 16835 1 1189 . 1 1 91 91 MET HE3 H 1 1.193 0.000 . . . . . . 91 M QE . 16835 1 1190 . 1 1 91 91 MET HG2 H 1 2.231 0.000 . 2 . . . . 91 M HG2 . 16835 1 1191 . 1 1 91 91 MET HG3 H 1 2.321 0.000 . 2 . . . . 91 M HG3 . 16835 1 1192 . 1 1 91 91 MET C C 13 178.924 0.000 . 1 . . . . 91 M C . 16835 1 1193 . 1 1 91 91 MET CA C 13 56.795 0.000 . 1 . . . . 91 M CA . 16835 1 1194 . 1 1 91 91 MET CB C 13 29.296 0.000 . 1 . . . . 91 M CB . 16835 1 1195 . 1 1 91 91 MET CE C 13 15.499 0.000 . 1 . . . . 91 M CE . 16835 1 1196 . 1 1 91 91 MET CG C 13 32.849 0.006 . 1 . . . . 91 M CG . 16835 1 1197 . 1 1 91 91 MET N N 15 121.671 0.000 . 1 . . . . 91 M N . 16835 1 1198 . 1 1 92 92 SER H H 1 8.796 0.000 . 1 . . . . 92 S HN . 16835 1 1199 . 1 1 92 92 SER HA H 1 3.984 0.000 . 1 . . . . 92 S HA . 16835 1 1200 . 1 1 92 92 SER HB2 H 1 3.988 0.000 . 2 . . . . 92 S QB . 16835 1 1201 . 1 1 92 92 SER HB3 H 1 3.988 0.000 . 2 . . . . 92 S QB . 16835 1 1202 . 1 1 92 92 SER C C 13 176.328 0.000 . 1 . . . . 92 S C . 16835 1 1203 . 1 1 92 92 SER CA C 13 60.956 0.000 . 1 . . . . 92 S CA . 16835 1 1204 . 1 1 92 92 SER CB C 13 61.587 0.000 . 1 . . . . 92 S CB . 16835 1 1205 . 1 1 92 92 SER N N 15 113.060 0.000 . 1 . . . . 92 S N . 16835 1 1206 . 1 1 93 93 ALA H H 1 7.058 0.000 . 1 . . . . 93 A HN . 16835 1 1207 . 1 1 93 93 ALA HA H 1 4.356 0.000 . 1 . . . . 93 A HA . 16835 1 1208 . 1 1 93 93 ALA HB1 H 1 1.660 0.000 . . . . . . 93 A QB . 16835 1 1209 . 1 1 93 93 ALA HB2 H 1 1.660 0.000 . . . . . . 93 A QB . 16835 1 1210 . 1 1 93 93 ALA HB3 H 1 1.660 0.000 . . . . . . 93 A QB . 16835 1 1211 . 1 1 93 93 ALA C C 13 180.789 0.000 . 1 . . . . 93 A C . 16835 1 1212 . 1 1 93 93 ALA CA C 13 54.840 0.000 . 1 . . . . 93 A CA . 16835 1 1213 . 1 1 93 93 ALA CB C 13 18.625 0.000 . 1 . . . . 93 A CB . 16835 1 1214 . 1 1 93 93 ALA N N 15 126.805 0.000 . 1 . . . . 93 A N . 16835 1 1215 . 1 1 94 94 ILE H H 1 7.897 0.000 . 1 . . . . 94 I HN . 16835 1 1216 . 1 1 94 94 ILE HA H 1 4.050 0.000 . 1 . . . . 94 I HA . 16835 1 1217 . 1 1 94 94 ILE HB H 1 2.173 0.000 . 1 . . . . 94 I HB . 16835 1 1218 . 1 1 94 94 ILE HD11 H 1 0.776 0.000 . . . . . . 94 I QD1 . 16835 1 1219 . 1 1 94 94 ILE HD12 H 1 0.776 0.000 . . . . . . 94 I QD1 . 16835 1 1220 . 1 1 94 94 ILE HD13 H 1 0.776 0.000 . . . . . . 94 I QD1 . 16835 1 1221 . 1 1 94 94 ILE HG12 H 1 1.372 0.000 . 2 . . . . 94 I HG12 . 16835 1 1222 . 1 1 94 94 ILE HG13 H 1 1.651 0.000 . 2 . . . . 94 I HG13 . 16835 1 1223 . 1 1 94 94 ILE HG21 H 1 0.991 0.000 . . . . . . 94 I QG2 . 16835 1 1224 . 1 1 94 94 ILE HG22 H 1 0.991 0.000 . . . . . . 94 I QG2 . 16835 1 1225 . 1 1 94 94 ILE HG23 H 1 0.991 0.000 . . . . . . 94 I QG2 . 16835 1 1226 . 1 1 94 94 ILE C C 13 178.324 0.000 . 1 . . . . 94 I C . 16835 1 1227 . 1 1 94 94 ILE CA C 13 62.699 0.000 . 1 . . . . 94 I CA . 16835 1 1228 . 1 1 94 94 ILE CB C 13 36.362 0.000 . 1 . . . . 94 I CB . 16835 1 1229 . 1 1 94 94 ILE CD1 C 13 10.890 0.000 . 1 . . . . 94 I CD1 . 16835 1 1230 . 1 1 94 94 ILE CG1 C 13 26.988 0.000 . 1 . . . . 94 I CG1 . 16835 1 1231 . 1 1 94 94 ILE CG2 C 13 19.107 0.000 . 1 . . . . 94 I CG2 . 16835 1 1232 . 1 1 94 94 ILE N N 15 118.895 0.000 . 1 . . . . 94 I N . 16835 1 1233 . 1 1 95 95 TYR H H 1 8.882 0.000 . 1 . . . . 95 Y HN . 16835 1 1234 . 1 1 95 95 TYR HA H 1 4.007 0.000 . 1 . . . . 95 Y HA . 16835 1 1235 . 1 1 95 95 TYR HB2 H 1 3.021 0.000 . 2 . . . . 95 Y HB2 . 16835 1 1236 . 1 1 95 95 TYR HB3 H 1 3.166 0.000 . 2 . . . . 95 Y HB3 . 16835 1 1237 . 1 1 95 95 TYR HD1 H 1 7.051 0.005 . 3 . . . . 95 Y QD . 16835 1 1238 . 1 1 95 95 TYR HD2 H 1 7.051 0.005 . 3 . . . . 95 Y QD . 16835 1 1239 . 1 1 95 95 TYR HE1 H 1 6.881 0.001 . 3 . . . . 95 Y QE . 16835 1 1240 . 1 1 95 95 TYR HE2 H 1 6.881 0.001 . 3 . . . . 95 Y QE . 16835 1 1241 . 1 1 95 95 TYR C C 13 176.018 0.000 . 1 . . . . 95 Y C . 16835 1 1242 . 1 1 95 95 TYR CA C 13 62.305 0.000 . 1 . . . . 95 Y CA . 16835 1 1243 . 1 1 95 95 TYR CB C 13 39.077 0.053 . 1 . . . . 95 Y CB . 16835 1 1244 . 1 1 95 95 TYR CD1 C 13 133.474 0.000 . 3 . . . . 95 Y CD1 . 16835 1 1245 . 1 1 95 95 TYR CE1 C 13 118.180 0.000 . 3 . . . . 95 Y CE1 . 16835 1 1246 . 1 1 95 95 TYR N N 15 120.702 0.000 . 1 . . . . 95 Y N . 16835 1 1247 . 1 1 96 96 GLN H H 1 7.765 0.000 . 1 . . . . 96 Q HN . 16835 1 1248 . 1 1 96 96 GLN HA H 1 3.783 0.000 . 1 . . . . 96 Q HA . 16835 1 1249 . 1 1 96 96 GLN HB2 H 1 2.184 0.000 . 2 . . . . 96 Q HB2 . 16835 1 1250 . 1 1 96 96 GLN HB3 H 1 2.225 0.000 . 2 . . . . 96 Q HB3 . 16835 1 1251 . 1 1 96 96 GLN HE21 H 1 6.950 0.002 . 2 . . . . 96 Q HE21 . 16835 1 1252 . 1 1 96 96 GLN HE22 H 1 7.583 0.001 . 2 . . . . 96 Q HE22 . 16835 1 1253 . 1 1 96 96 GLN HG2 H 1 2.580 0.000 . 2 . . . . 96 Q QG . 16835 1 1254 . 1 1 96 96 GLN HG3 H 1 2.580 0.000 . 2 . . . . 96 Q QG . 16835 1 1255 . 1 1 96 96 GLN C C 13 177.284 0.000 . 1 . . . . 96 Q C . 16835 1 1256 . 1 1 96 96 GLN CA C 13 58.720 0.000 . 1 . . . . 96 Q CA . 16835 1 1257 . 1 1 96 96 GLN CB C 13 28.291 0.001 . 1 . . . . 96 Q CB . 16835 1 1258 . 1 1 96 96 GLN CD C 13 180.139 0.009 . 1 . . . . 96 Q CD . 16835 1 1259 . 1 1 96 96 GLN CG C 13 33.512 0.000 . 1 . . . . 96 Q CG . 16835 1 1260 . 1 1 96 96 GLN N N 15 115.082 0.000 . 1 . . . . 96 Q N . 16835 1 1261 . 1 1 96 96 GLN NE2 N 15 112.137 0.000 . 1 . . . . 96 Q NE2 . 16835 1 1262 . 1 1 97 97 GLU H H 1 7.147 0.000 . 1 . . . . 97 E HN . 16835 1 1263 . 1 1 97 97 GLU HA H 1 4.090 0.000 . 1 . . . . 97 E HA . 16835 1 1264 . 1 1 97 97 GLU HB2 H 1 1.581 0.000 . 2 . . . . 97 E HB2 . 16835 1 1265 . 1 1 97 97 GLU HB3 H 1 1.816 0.000 . 2 . . . . 97 E HB3 . 16835 1 1266 . 1 1 97 97 GLU HG2 H 1 1.537 0.000 . 2 . . . . 97 E HG2 . 16835 1 1267 . 1 1 97 97 GLU HG3 H 1 1.975 0.000 . 2 . . . . 97 E HG3 . 16835 1 1268 . 1 1 97 97 GLU C C 13 178.152 0.000 . 1 . . . . 97 E C . 16835 1 1269 . 1 1 97 97 GLU CA C 13 57.820 0.000 . 1 . . . . 97 E CA . 16835 1 1270 . 1 1 97 97 GLU CB C 13 31.541 0.008 . 1 . . . . 97 E CB . 16835 1 1271 . 1 1 97 97 GLU CG C 13 35.582 0.008 . 1 . . . . 97 E CG . 16835 1 1272 . 1 1 97 97 GLU N N 15 114.426 0.000 . 1 . . . . 97 E N . 16835 1 1273 . 1 1 98 98 HIS H H 1 8.263 0.000 . 1 . . . . 98 H HN . 16835 1 1274 . 1 1 98 98 HIS HA H 1 4.826 0.000 . 1 . . . . 98 H HA . 16835 1 1275 . 1 1 98 98 HIS HB2 H 1 2.787 0.000 . 2 . . . . 98 H HB2 . 16835 1 1276 . 1 1 98 98 HIS HB3 H 1 3.218 0.000 . 2 . . . . 98 H HB3 . 16835 1 1277 . 1 1 98 98 HIS HD2 H 1 7.043 0.006 . 1 . . . . 98 H HD2 . 16835 1 1278 . 1 1 98 98 HIS HE1 H 1 7.871 0.000 . 1 . . . . 98 H HE1 . 16835 1 1279 . 1 1 98 98 HIS C C 13 175.896 0.000 . 1 . . . . 98 H C . 16835 1 1280 . 1 1 98 98 HIS CA C 13 56.711 0.000 . 1 . . . . 98 H CA . 16835 1 1281 . 1 1 98 98 HIS CB C 13 32.852 0.028 . 1 . . . . 98 H CB . 16835 1 1282 . 1 1 98 98 HIS CD2 C 13 119.832 0.000 . 1 . . . . 98 H CD2 . 16835 1 1283 . 1 1 98 98 HIS CE1 C 13 138.942 0.000 . 1 . . . . 98 H CE1 . 16835 1 1284 . 1 1 98 98 HIS N N 15 113.349 0.000 . 1 . . . . 98 H N . 16835 1 1285 . 1 1 99 99 LYS H H 1 8.087 0.000 . 1 . . . . 99 K HN . 16835 1 1286 . 1 1 99 99 LYS HA H 1 3.979 0.000 . 1 . . . . 99 K HA . 16835 1 1287 . 1 1 99 99 LYS HB2 H 1 1.200 0.000 . 2 . . . . 99 K QB . 16835 1 1288 . 1 1 99 99 LYS HB3 H 1 1.200 0.000 . 2 . . . . 99 K QB . 16835 1 1289 . 1 1 99 99 LYS HD2 H 1 0.896 0.000 . 2 . . . . 99 K HD2 . 16835 1 1290 . 1 1 99 99 LYS HD3 H 1 1.224 0.000 . 2 . . . . 99 K HD3 . 16835 1 1291 . 1 1 99 99 LYS HE2 H 1 2.760 0.000 . 2 . . . . 99 K HE2 . 16835 1 1292 . 1 1 99 99 LYS HE3 H 1 2.788 0.000 . 2 . . . . 99 K HE3 . 16835 1 1293 . 1 1 99 99 LYS HG2 H 1 1.005 0.000 . 2 . . . . 99 K QG . 16835 1 1294 . 1 1 99 99 LYS HG3 H 1 1.005 0.000 . 2 . . . . 99 K QG . 16835 1 1295 . 1 1 99 99 LYS C C 13 174.777 0.000 . 1 . . . . 99 K C . 16835 1 1296 . 1 1 99 99 LYS CA C 13 57.602 0.000 . 1 . . . . 99 K CA . 16835 1 1297 . 1 1 99 99 LYS CB C 13 31.632 0.000 . 1 . . . . 99 K CB . 16835 1 1298 . 1 1 99 99 LYS CD C 13 29.311 0.004 . 1 . . . . 99 K CD . 16835 1 1299 . 1 1 99 99 LYS CE C 13 42.272 0.007 . 1 . . . . 99 K CE . 16835 1 1300 . 1 1 99 99 LYS CG C 13 22.595 0.000 . 1 . . . . 99 K CG . 16835 1 1301 . 1 1 99 99 LYS N N 15 120.924 0.000 . 1 . . . . 99 K N . 16835 1 1302 . 1 1 100 100 ASP H H 1 9.008 0.000 . 1 . . . . 100 D HN . 16835 1 1303 . 1 1 100 100 ASP HA H 1 4.765 0.000 . 1 . . . . 100 D HA . 16835 1 1304 . 1 1 100 100 ASP HB2 H 1 3.173 0.000 . 2 . . . . 100 D HB2 . 16835 1 1305 . 1 1 100 100 ASP HB3 H 1 3.891 0.000 . 2 . . . . 100 D HB3 . 16835 1 1306 . 1 1 100 100 ASP C C 13 177.694 0.000 . 1 . . . . 100 D C . 16835 1 1307 . 1 1 100 100 ASP CA C 13 54.030 0.000 . 1 . . . . 100 D CA . 16835 1 1308 . 1 1 100 100 ASP CB C 13 43.444 0.013 . 1 . . . . 100 D CB . 16835 1 1309 . 1 1 100 100 ASP N N 15 124.196 0.000 . 1 . . . . 100 D N . 16835 1 1310 . 1 1 101 101 LYS H H 1 8.695 0.000 . 1 . . . . 101 K HN . 16835 1 1311 . 1 1 101 101 LYS HA H 1 4.236 0.000 . 1 . . . . 101 K HA . 16835 1 1312 . 1 1 101 101 LYS HB2 H 1 2.045 0.000 . 2 . . . . 101 K QB . 16835 1 1313 . 1 1 101 101 LYS HB3 H 1 2.045 0.000 . 2 . . . . 101 K QB . 16835 1 1314 . 1 1 101 101 LYS HD2 H 1 1.710 0.000 . 2 . . . . 101 K QD . 16835 1 1315 . 1 1 101 101 LYS HD3 H 1 1.710 0.000 . 2 . . . . 101 K QD . 16835 1 1316 . 1 1 101 101 LYS HE2 H 1 2.971 0.000 . 2 . . . . 101 K QE . 16835 1 1317 . 1 1 101 101 LYS HE3 H 1 2.971 0.000 . 2 . . . . 101 K QE . 16835 1 1318 . 1 1 101 101 LYS HG2 H 1 1.655 0.000 . 2 . . . . 101 K HG2 . 16835 1 1319 . 1 1 101 101 LYS HG3 H 1 1.705 0.000 . 2 . . . . 101 K HG3 . 16835 1 1320 . 1 1 101 101 LYS C C 13 178.023 0.000 . 1 . . . . 101 K C . 16835 1 1321 . 1 1 101 101 LYS CA C 13 59.475 0.000 . 1 . . . . 101 K CA . 16835 1 1322 . 1 1 101 101 LYS CB C 13 32.889 0.000 . 1 . . . . 101 K CB . 16835 1 1323 . 1 1 101 101 LYS CD C 13 28.993 0.000 . 1 . . . . 101 K CD . 16835 1 1324 . 1 1 101 101 LYS CE C 13 42.111 0.000 . 1 . . . . 101 K CE . 16835 1 1325 . 1 1 101 101 LYS CG C 13 25.587 0.014 . 1 . . . . 101 K CG . 16835 1 1326 . 1 1 101 101 LYS N N 15 125.993 0.000 . 1 . . . . 101 K N . 16835 1 1327 . 1 1 102 102 ASP H H 1 10.265 0.000 . 1 . . . . 102 D HN . 16835 1 1328 . 1 1 102 102 ASP HA H 1 4.119 0.000 . 1 . . . . 102 D HA . 16835 1 1329 . 1 1 102 102 ASP HB2 H 1 2.609 0.000 . 2 . . . . 102 D HB2 . 16835 1 1330 . 1 1 102 102 ASP HB3 H 1 2.872 0.000 . 2 . . . . 102 D HB3 . 16835 1 1331 . 1 1 102 102 ASP C C 13 176.820 0.000 . 1 . . . . 102 D C . 16835 1 1332 . 1 1 102 102 ASP CA C 13 54.653 0.000 . 1 . . . . 102 D CA . 16835 1 1333 . 1 1 102 102 ASP CB C 13 39.730 0.006 . 1 . . . . 102 D CB . 16835 1 1334 . 1 1 102 102 ASP N N 15 119.342 0.000 . 1 . . . . 102 D N . 16835 1 1335 . 1 1 103 103 GLY H H 1 8.175 0.000 . 1 . . . . 103 G HN . 16835 1 1336 . 1 1 103 103 GLY HA2 H 1 3.489 0.000 . . . . . . 103 G HA1 . 16835 1 1337 . 1 1 103 103 GLY HA3 H 1 4.411 0.000 . 2 . . . . 103 G HA2 . 16835 1 1338 . 1 1 103 103 GLY C C 13 174.655 0.000 . 1 . . . . 103 G C . 16835 1 1339 . 1 1 103 103 GLY CA C 13 45.350 0.010 . 1 . . . . 103 G CA . 16835 1 1340 . 1 1 103 103 GLY N N 15 106.132 0.000 . 1 . . . . 103 G N . 16835 1 1341 . 1 1 104 104 PHE H H 1 9.578 0.003 . 1 . . . . 104 F HN . 16835 1 1342 . 1 1 104 104 PHE HA H 1 4.670 0.000 . 1 . . . . 104 F HA . 16835 1 1343 . 1 1 104 104 PHE HB2 H 1 2.083 0.000 . 2 . . . . 104 F HB2 . 16835 1 1344 . 1 1 104 104 PHE HB3 H 1 3.473 0.000 . 2 . . . . 104 F HB3 . 16835 1 1345 . 1 1 104 104 PHE HD1 H 1 7.266 0.000 . 3 . . . . 104 F QD . 16835 1 1346 . 1 1 104 104 PHE HD2 H 1 7.266 0.000 . 3 . . . . 104 F QD . 16835 1 1347 . 1 1 104 104 PHE HE1 H 1 7.207 0.000 . 3 . . . . 104 F QE . 16835 1 1348 . 1 1 104 104 PHE HE2 H 1 7.207 0.000 . 3 . . . . 104 F QE . 16835 1 1349 . 1 1 104 104 PHE HZ H 1 6.933 0.000 . 1 . . . . 104 F HZ . 16835 1 1350 . 1 1 104 104 PHE C C 13 174.937 0.000 . 1 . . . . 104 F C . 16835 1 1351 . 1 1 104 104 PHE CA C 13 59.409 0.000 . 1 . . . . 104 F CA . 16835 1 1352 . 1 1 104 104 PHE CB C 13 39.793 0.004 . 1 . . . . 104 F CB . 16835 1 1353 . 1 1 104 104 PHE CD1 C 13 131.199 0.000 . 3 . . . . 104 F CD1 . 16835 1 1354 . 1 1 104 104 PHE CE1 C 13 130.687 0.000 . 3 . . . . 104 F CE1 . 16835 1 1355 . 1 1 104 104 PHE CZ C 13 127.724 0.000 . 1 . . . . 104 F CZ . 16835 1 1356 . 1 1 104 104 PHE N N 15 121.797 0.005 . 1 . . . . 104 F N . 16835 1 1357 . 1 1 105 105 LEU H H 1 8.368 0.000 . 1 . . . . 105 L HN . 16835 1 1358 . 1 1 105 105 LEU HA H 1 4.894 0.000 . 1 . . . . 105 L HA . 16835 1 1359 . 1 1 105 105 LEU HB2 H 1 1.451 0.000 . 2 . . . . 105 L HB2 . 16835 1 1360 . 1 1 105 105 LEU HB3 H 1 2.096 0.000 . 2 . . . . 105 L HB3 . 16835 1 1361 . 1 1 105 105 LEU HD11 H 1 0.704 0.000 . . . . . . 105 L QD1 . 16835 1 1362 . 1 1 105 105 LEU HD12 H 1 0.704 0.000 . . . . . . 105 L QD1 . 16835 1 1363 . 1 1 105 105 LEU HD13 H 1 0.704 0.000 . . . . . . 105 L QD1 . 16835 1 1364 . 1 1 105 105 LEU HD21 H 1 0.926 0.000 . . . . . . 105 L QD2 . 16835 1 1365 . 1 1 105 105 LEU HD22 H 1 0.926 0.000 . . . . . . 105 L QD2 . 16835 1 1366 . 1 1 105 105 LEU HD23 H 1 0.926 0.000 . . . . . . 105 L QD2 . 16835 1 1367 . 1 1 105 105 LEU HG H 1 1.443 0.000 . 1 . . . . 105 L HG . 16835 1 1368 . 1 1 105 105 LEU C C 13 173.967 0.000 . 1 . . . . 105 L C . 16835 1 1369 . 1 1 105 105 LEU CA C 13 53.454 0.000 . 1 . . . . 105 L CA . 16835 1 1370 . 1 1 105 105 LEU CB C 13 45.062 0.000 . 1 . . . . 105 L CB . 16835 1 1371 . 1 1 105 105 LEU CD1 C 13 26.154 0.000 . 2 . . . . 105 L CD1 . 16835 1 1372 . 1 1 105 105 LEU CD2 C 13 24.239 0.000 . 2 . . . . 105 L CD2 . 16835 1 1373 . 1 1 105 105 LEU CG C 13 27.305 0.000 . 1 . . . . 105 L CG . 16835 1 1374 . 1 1 105 105 LEU N N 15 119.955 0.000 . 1 . . . . 105 L N . 16835 1 1375 . 1 1 106 106 TYR H H 1 9.141 0.000 . 1 . . . . 106 Y HN . 16835 1 1376 . 1 1 106 106 TYR HA H 1 4.993 0.000 . 1 . . . . 106 Y HA . 16835 1 1377 . 1 1 106 106 TYR HB2 H 1 3.077 0.000 . 2 . . . . 106 Y HB2 . 16835 1 1378 . 1 1 106 106 TYR HB3 H 1 2.939 0.000 . 2 . . . . 106 Y HB3 . 16835 1 1379 . 1 1 106 106 TYR HD1 H 1 7.291 0.001 . 3 . . . . 106 Y QD . 16835 1 1380 . 1 1 106 106 TYR HD2 H 1 7.291 0.001 . 3 . . . . 106 Y QD . 16835 1 1381 . 1 1 106 106 TYR HE1 H 1 7.275 0.000 . 3 . . . . 106 Y QE . 16835 1 1382 . 1 1 106 106 TYR HE2 H 1 7.275 0.000 . 3 . . . . 106 Y QE . 16835 1 1383 . 1 1 106 106 TYR C C 13 176.111 0.000 . 1 . . . . 106 Y C . 16835 1 1384 . 1 1 106 106 TYR CA C 13 58.801 0.000 . 1 . . . . 106 Y CA . 16835 1 1385 . 1 1 106 106 TYR CB C 13 38.157 0.028 . 1 . . . . 106 Y CB . 16835 1 1386 . 1 1 106 106 TYR CD1 C 13 132.735 0.000 . 3 . . . . 106 Y CD1 . 16835 1 1387 . 1 1 106 106 TYR CE1 C 13 118.813 0.000 . 3 . . . . 106 Y CE1 . 16835 1 1388 . 1 1 106 106 TYR N N 15 127.800 0.000 . 1 . . . . 106 Y N . 16835 1 1389 . 1 1 107 107 VAL H H 1 9.521 0.003 . 1 . . . . 107 V HN . 16835 1 1390 . 1 1 107 107 VAL HA H 1 5.123 0.000 . 1 . . . . 107 V HA . 16835 1 1391 . 1 1 107 107 VAL HB H 1 2.241 0.000 . 1 . . . . 107 V HB . 16835 1 1392 . 1 1 107 107 VAL HG11 H 1 0.832 0.000 . . . . . . 107 V QG1 . 16835 1 1393 . 1 1 107 107 VAL HG12 H 1 0.832 0.000 . . . . . . 107 V QG1 . 16835 1 1394 . 1 1 107 107 VAL HG13 H 1 0.832 0.000 . . . . . . 107 V QG1 . 16835 1 1395 . 1 1 107 107 VAL HG21 H 1 0.915 0.000 . . . . . . 107 V QG2 . 16835 1 1396 . 1 1 107 107 VAL HG22 H 1 0.915 0.000 . . . . . . 107 V QG2 . 16835 1 1397 . 1 1 107 107 VAL HG23 H 1 0.915 0.000 . . . . . . 107 V QG2 . 16835 1 1398 . 1 1 107 107 VAL C C 13 175.719 0.000 . 1 . . . . 107 V C . 16835 1 1399 . 1 1 107 107 VAL CA C 13 59.500 0.000 . 1 . . . . 107 V CA . 16835 1 1400 . 1 1 107 107 VAL CB C 13 34.840 0.000 . 1 . . . . 107 V CB . 16835 1 1401 . 1 1 107 107 VAL CG1 C 13 20.895 0.000 . 2 . . . . 107 V CG1 . 16835 1 1402 . 1 1 107 107 VAL CG2 C 13 22.129 0.000 . 2 . . . . 107 V CG2 . 16835 1 1403 . 1 1 107 107 VAL N N 15 121.440 0.004 . 1 . . . . 107 V N . 16835 1 1404 . 1 1 108 108 THR H H 1 9.041 0.000 . 1 . . . . 108 T HN . 16835 1 1405 . 1 1 108 108 THR HA H 1 6.115 0.000 . 1 . . . . 108 T HA . 16835 1 1406 . 1 1 108 108 THR HB H 1 4.031 0.000 . 1 . . . . 108 T HB . 16835 1 1407 . 1 1 108 108 THR HG21 H 1 1.214 0.000 . . . . . . 108 T QG2 . 16835 1 1408 . 1 1 108 108 THR HG22 H 1 1.214 0.000 . . . . . . 108 T QG2 . 16835 1 1409 . 1 1 108 108 THR HG23 H 1 1.214 0.000 . . . . . . 108 T QG2 . 16835 1 1410 . 1 1 108 108 THR C C 13 174.145 0.000 . 1 . . . . 108 T C . 16835 1 1411 . 1 1 108 108 THR CA C 13 59.981 0.000 . 1 . . . . 108 T CA . 16835 1 1412 . 1 1 108 108 THR CB C 13 72.219 0.000 . 1 . . . . 108 T CB . 16835 1 1413 . 1 1 108 108 THR CG2 C 13 22.203 0.000 . 1 . . . . 108 T CG2 . 16835 1 1414 . 1 1 108 108 THR N N 15 119.962 0.000 . 1 . . . . 108 T N . 16835 1 1415 . 1 1 109 109 TYR H H 1 8.471 0.000 . 1 . . . . 109 Y HN . 16835 1 1416 . 1 1 109 109 TYR HA H 1 6.316 0.000 . 1 . . . . 109 Y HA . 16835 1 1417 . 1 1 109 109 TYR HB2 H 1 2.553 0.000 . 2 . . . . 109 Y HB2 . 16835 1 1418 . 1 1 109 109 TYR HB3 H 1 2.892 0.000 . 2 . . . . 109 Y HB3 . 16835 1 1419 . 1 1 109 109 TYR HD1 H 1 6.827 0.000 . 3 . . . . 109 Y QD . 16835 1 1420 . 1 1 109 109 TYR HD2 H 1 6.827 0.000 . 3 . . . . 109 Y QD . 16835 1 1421 . 1 1 109 109 TYR HE1 H 1 6.625 0.010 . 3 . . . . 109 Y QE . 16835 1 1422 . 1 1 109 109 TYR HE2 H 1 6.625 0.010 . 3 . . . . 109 Y QE . 16835 1 1423 . 1 1 109 109 TYR C C 13 173.315 0.000 . 1 . . . . 109 Y C . 16835 1 1424 . 1 1 109 109 TYR CA C 13 54.626 0.000 . 1 . . . . 109 Y CA . 16835 1 1425 . 1 1 109 109 TYR CB C 13 42.274 0.051 . 1 . . . . 109 Y CB . 16835 1 1426 . 1 1 109 109 TYR CD1 C 13 132.897 0.000 . 3 . . . . 109 Y CD1 . 16835 1 1427 . 1 1 109 109 TYR CE1 C 13 117.462 0.000 . 3 . . . . 109 Y CE1 . 16835 1 1428 . 1 1 109 109 TYR N N 15 119.926 0.000 . 1 . . . . 109 Y N . 16835 1 1429 . 1 1 110 110 SER H H 1 9.079 0.000 . 1 . . . . 110 S HN . 16835 1 1430 . 1 1 110 110 SER HA H 1 4.726 0.000 . 1 . . . . 110 S HA . 16835 1 1431 . 1 1 110 110 SER HB2 H 1 3.831 0.000 . 2 . . . . 110 S HB2 . 16835 1 1432 . 1 1 110 110 SER HB3 H 1 3.978 0.000 . 2 . . . . 110 S HB3 . 16835 1 1433 . 1 1 110 110 SER C C 13 173.674 0.000 . 1 . . . . 110 S C . 16835 1 1434 . 1 1 110 110 SER CA C 13 56.074 0.000 . 1 . . . . 110 S CA . 16835 1 1435 . 1 1 110 110 SER CB C 13 66.249 0.000 . 1 . . . . 110 S CB . 16835 1 1436 . 1 1 110 110 SER N N 15 112.979 0.000 . 1 . . . . 110 S N . 16835 1 1437 . 1 1 111 111 GLY H H 1 8.425 0.000 . 1 . . . . 111 G HN . 16835 1 1438 . 1 1 111 111 GLY HA2 H 1 3.837 0.000 . . . . . . 111 G HA1 . 16835 1 1439 . 1 1 111 111 GLY HA3 H 1 4.806 0.000 . 2 . . . . 111 G HA2 . 16835 1 1440 . 1 1 111 111 GLY C C 13 173.320 0.000 . 1 . . . . 111 G C . 16835 1 1441 . 1 1 111 111 GLY CA C 13 45.328 0.000 . 1 . . . . 111 G CA . 16835 1 1442 . 1 1 111 111 GLY N N 15 111.053 0.000 . 1 . . . . 111 G N . 16835 1 1443 . 1 1 112 112 GLU H H 1 8.414 0.000 . 1 . . . . 112 E HN . 16835 1 1444 . 1 1 112 112 GLU HA H 1 4.662 0.000 . 1 . . . . 112 E HA . 16835 1 1445 . 1 1 112 112 GLU HB2 H 1 1.969 0.000 . 2 . . . . 112 E HB2 . 16835 1 1446 . 1 1 112 112 GLU HB3 H 1 2.034 0.000 . 2 . . . . 112 E HB3 . 16835 1 1447 . 1 1 112 112 GLU HG2 H 1 2.291 0.000 . 2 . . . . 112 E HG2 . 16835 1 1448 . 1 1 112 112 GLU HG3 H 1 2.183 0.000 . 2 . . . . 112 E HG3 . 16835 1 1449 . 1 1 112 112 GLU C C 13 174.567 0.000 . 1 . . . . 112 E C . 16835 1 1450 . 1 1 112 112 GLU CA C 13 55.749 0.000 . 1 . . . . 112 E CA . 16835 1 1451 . 1 1 112 112 GLU CB C 13 33.094 0.017 . 1 . . . . 112 E CB . 16835 1 1452 . 1 1 112 112 GLU CG C 13 36.427 0.000 . 1 . . . . 112 E CG . 16835 1 1453 . 1 1 112 112 GLU N N 15 118.829 0.000 . 1 . . . . 112 E N . 16835 1 1454 . 1 1 113 113 ASN H H 1 8.176 0.000 . 1 . . . . 113 N HN . 16835 1 1455 . 1 1 113 113 ASN HA H 1 4.157 0.000 . 1 . . . . 113 N HA . 16835 1 1456 . 1 1 113 113 ASN HB2 H 1 1.571 0.000 . 2 . . . . 113 N HB2 . 16835 1 1457 . 1 1 113 113 ASN HB3 H 1 1.944 0.000 . 2 . . . . 113 N HB3 . 16835 1 1458 . 1 1 113 113 ASN HD21 H 1 6.535 0.001 . 2 . . . . 113 N HD21 . 16835 1 1459 . 1 1 113 113 ASN HD22 H 1 6.994 0.000 . 2 . . . . 113 N HD22 . 16835 1 1460 . 1 1 113 113 ASN C C 13 174.954 0.000 . 1 . . . . 113 N C . 16835 1 1461 . 1 1 113 113 ASN CA C 13 51.898 0.000 . 1 . . . . 113 N CA . 16835 1 1462 . 1 1 113 113 ASN CB C 13 36.774 0.000 . 1 . . . . 113 N CB . 16835 1 1463 . 1 1 113 113 ASN CG C 13 176.507 0.013 . 1 . . . . 113 N CG . 16835 1 1464 . 1 1 113 113 ASN N N 15 118.045 0.000 . 1 . . . . 113 N N . 16835 1 1465 . 1 1 113 113 ASN ND2 N 15 109.472 0.000 . 1 . . . . 113 N ND2 . 16835 1 1466 . 1 1 114 114 THR H H 1 7.378 0.000 . 1 . . . . 114 T HN . 16835 1 1467 . 1 1 114 114 THR HA H 1 4.189 0.000 . 1 . . . . 114 T HA . 16835 1 1468 . 1 1 114 114 THR HB H 1 3.955 0.000 . 1 . . . . 114 T HB . 16835 1 1469 . 1 1 114 114 THR HG21 H 1 0.955 0.000 . . . . . . 114 T QG2 . 16835 1 1470 . 1 1 114 114 THR HG22 H 1 0.955 0.000 . . . . . . 114 T QG2 . 16835 1 1471 . 1 1 114 114 THR HG23 H 1 0.955 0.000 . . . . . . 114 T QG2 . 16835 1 1472 . 1 1 114 114 THR C C 13 173.554 0.000 . 1 . . . . 114 T C . 16835 1 1473 . 1 1 114 114 THR CA C 13 61.070 0.000 . 1 . . . . 114 T CA . 16835 1 1474 . 1 1 114 114 THR CB C 13 69.957 0.000 . 1 . . . . 114 T CB . 16835 1 1475 . 1 1 114 114 THR CG2 C 13 21.287 0.000 . 1 . . . . 114 T CG2 . 16835 1 1476 . 1 1 114 114 THR N N 15 112.653 0.000 . 1 . . . . 114 T N . 16835 1 1477 . 1 1 115 115 PHE H H 1 8.034 0.000 . 1 . . . . 115 F HN . 16835 1 1478 . 1 1 115 115 PHE HA H 1 4.430 0.000 . 1 . . . . 115 F HA . 16835 1 1479 . 1 1 115 115 PHE HB2 H 1 3.014 0.000 . 2 . . . . 115 F HB2 . 16835 1 1480 . 1 1 115 115 PHE HB3 H 1 2.758 0.000 . 2 . . . . 115 F HB3 . 16835 1 1481 . 1 1 115 115 PHE HD1 H 1 6.966 0.003 . 3 . . . . 115 F QD . 16835 1 1482 . 1 1 115 115 PHE HD2 H 1 6.966 0.003 . 3 . . . . 115 F QD . 16835 1 1483 . 1 1 115 115 PHE HE1 H 1 7.067 0.002 . 3 . . . . 115 F QE . 16835 1 1484 . 1 1 115 115 PHE HE2 H 1 7.067 0.002 . 3 . . . . 115 F QE . 16835 1 1485 . 1 1 115 115 PHE HZ H 1 7.071 0.000 . 1 . . . . 115 F HZ . 16835 1 1486 . 1 1 115 115 PHE C C 13 175.058 0.000 . 1 . . . . 115 F C . 16835 1 1487 . 1 1 115 115 PHE CA C 13 57.716 0.000 . 1 . . . . 115 F CA . 16835 1 1488 . 1 1 115 115 PHE CB C 13 39.595 0.033 . 1 . . . . 115 F CB . 16835 1 1489 . 1 1 115 115 PHE CD1 C 13 131.727 0.000 . 3 . . . . 115 F CD1 . 16835 1 1490 . 1 1 115 115 PHE CE1 C 13 131.054 0.000 . 3 . . . . 115 F CE1 . 16835 1 1491 . 1 1 115 115 PHE CZ C 13 129.521 0.000 . 1 . . . . 115 F CZ . 16835 1 1492 . 1 1 115 115 PHE N N 15 121.522 0.000 . 1 . . . . 115 F N . 16835 1 1493 . 1 1 116 116 GLY H H 1 7.715 0.000 . 1 . . . . 116 G HN . 16835 1 1494 . 1 1 116 116 GLY HA2 H 1 3.646 0.000 . 2 . . . . 116 G QA . 16835 1 1495 . 1 1 116 116 GLY HA3 H 1 3.646 0.000 . 2 . . . . 116 G QA . 16835 1 1496 . 1 1 116 116 GLY CA C 13 46.142 0.000 . 1 . . . . 116 G CA . 16835 1 1497 . 1 1 116 116 GLY N N 15 116.305 0.000 . 1 . . . . 116 G N . 16835 1 stop_ save_