data_26854 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26854 _Entry.Title ; AsLOV2 (Avena sativa phototropin 1, LOV2 domain) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-14 _Entry.Accession_date 2016-07-14 _Entry.Last_release_date 2016-11-09 _Entry.Original_release_date 2016-11-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Kevin Gardner K. H. . . 26854 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26854 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 644 26854 '15N chemical shifts' 166 26854 '1H chemical shifts' 987 26854 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 . . 2016-11-09 2016-05-01 update author 'update assignments, etc.' 26854 1 . . 2016-08-11 2016-05-01 original author 'original release' 26854 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26854 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12970567 _Citation.Full_citation . _Citation.Title ; Structural basis of a phototropin light switch ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume 301 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1541 _Citation.Page_last 1544 _Citation.Year 2003 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shannon Harper S. M. . . 26854 1 2 Lori Neil L. C. . . 26854 1 3 Kevin Gardner K. H. . . 26854 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26854 _Assembly.ID 1 _Assembly.Name AsLOV2 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'AsLOV2 protein' 1 $AsLOV2 A . yes native no no . . . 26854 1 2 'AsLOV2 FMN' 2 $entity_FMN A . no native no no . . . 26854 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2v0u . . X-ray 1.4 'crystal structure solved independently of this work' . 26854 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AsLOV2 _Entity.Sf_category entity _Entity.Sf_framecode AsLOV2 _Entity.Entry_ID 26854 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AsLOV2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GEFLATTLERIEKNFVITDP RLPDNPIIFASDSFLQLTEY SREEILGRNCRFLQGPETDR ATVRKIRDAIDNQTEVTVQL INYTKSGKKFWNLFHLQPMR DQKGDVQYFIGVQLDGTEHV RDAAEREGVMLIKKTAENID EAAKELPDANLRPEDLWANH G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; residues 1-3 (GEF) and residue 161 (G) are vector-derived residues 4-160 correspond to residues 404-560 of A. sativa phototropin 1 ; _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 161 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes GB AAC05083.1 . NPH1 . . . . . . . . . . . . . . 26854 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'plant photosensor' 26854 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 26854 1 2 2 GLU . 26854 1 3 3 PHE . 26854 1 4 4 LEU . 26854 1 5 5 ALA . 26854 1 6 6 THR . 26854 1 7 7 THR . 26854 1 8 8 LEU . 26854 1 9 9 GLU . 26854 1 10 10 ARG . 26854 1 11 11 ILE . 26854 1 12 12 GLU . 26854 1 13 13 LYS . 26854 1 14 14 ASN . 26854 1 15 15 PHE . 26854 1 16 16 VAL . 26854 1 17 17 ILE . 26854 1 18 18 THR . 26854 1 19 19 ASP . 26854 1 20 20 PRO . 26854 1 21 21 ARG . 26854 1 22 22 LEU . 26854 1 23 23 PRO . 26854 1 24 24 ASP . 26854 1 25 25 ASN . 26854 1 26 26 PRO . 26854 1 27 27 ILE . 26854 1 28 28 ILE . 26854 1 29 29 PHE . 26854 1 30 30 ALA . 26854 1 31 31 SER . 26854 1 32 32 ASP . 26854 1 33 33 SER . 26854 1 34 34 PHE . 26854 1 35 35 LEU . 26854 1 36 36 GLN . 26854 1 37 37 LEU . 26854 1 38 38 THR . 26854 1 39 39 GLU . 26854 1 40 40 TYR . 26854 1 41 41 SER . 26854 1 42 42 ARG . 26854 1 43 43 GLU . 26854 1 44 44 GLU . 26854 1 45 45 ILE . 26854 1 46 46 LEU . 26854 1 47 47 GLY . 26854 1 48 48 ARG . 26854 1 49 49 ASN . 26854 1 50 50 CYS . 26854 1 51 51 ARG . 26854 1 52 52 PHE . 26854 1 53 53 LEU . 26854 1 54 54 GLN . 26854 1 55 55 GLY . 26854 1 56 56 PRO . 26854 1 57 57 GLU . 26854 1 58 58 THR . 26854 1 59 59 ASP . 26854 1 60 60 ARG . 26854 1 61 61 ALA . 26854 1 62 62 THR . 26854 1 63 63 VAL . 26854 1 64 64 ARG . 26854 1 65 65 LYS . 26854 1 66 66 ILE . 26854 1 67 67 ARG . 26854 1 68 68 ASP . 26854 1 69 69 ALA . 26854 1 70 70 ILE . 26854 1 71 71 ASP . 26854 1 72 72 ASN . 26854 1 73 73 GLN . 26854 1 74 74 THR . 26854 1 75 75 GLU . 26854 1 76 76 VAL . 26854 1 77 77 THR . 26854 1 78 78 VAL . 26854 1 79 79 GLN . 26854 1 80 80 LEU . 26854 1 81 81 ILE . 26854 1 82 82 ASN . 26854 1 83 83 TYR . 26854 1 84 84 THR . 26854 1 85 85 LYS . 26854 1 86 86 SER . 26854 1 87 87 GLY . 26854 1 88 88 LYS . 26854 1 89 89 LYS . 26854 1 90 90 PHE . 26854 1 91 91 TRP . 26854 1 92 92 ASN . 26854 1 93 93 LEU . 26854 1 94 94 PHE . 26854 1 95 95 HIS . 26854 1 96 96 LEU . 26854 1 97 97 GLN . 26854 1 98 98 PRO . 26854 1 99 99 MET . 26854 1 100 100 ARG . 26854 1 101 101 ASP . 26854 1 102 102 GLN . 26854 1 103 103 LYS . 26854 1 104 104 GLY . 26854 1 105 105 ASP . 26854 1 106 106 VAL . 26854 1 107 107 GLN . 26854 1 108 108 TYR . 26854 1 109 109 PHE . 26854 1 110 110 ILE . 26854 1 111 111 GLY . 26854 1 112 112 VAL . 26854 1 113 113 GLN . 26854 1 114 114 LEU . 26854 1 115 115 ASP . 26854 1 116 116 GLY . 26854 1 117 117 THR . 26854 1 118 118 GLU . 26854 1 119 119 HIS . 26854 1 120 120 VAL . 26854 1 121 121 ARG . 26854 1 122 122 ASP . 26854 1 123 123 ALA . 26854 1 124 124 ALA . 26854 1 125 125 GLU . 26854 1 126 126 ARG . 26854 1 127 127 GLU . 26854 1 128 128 GLY . 26854 1 129 129 VAL . 26854 1 130 130 MET . 26854 1 131 131 LEU . 26854 1 132 132 ILE . 26854 1 133 133 LYS . 26854 1 134 134 LYS . 26854 1 135 135 THR . 26854 1 136 136 ALA . 26854 1 137 137 GLU . 26854 1 138 138 ASN . 26854 1 139 139 ILE . 26854 1 140 140 ASP . 26854 1 141 141 GLU . 26854 1 142 142 ALA . 26854 1 143 143 ALA . 26854 1 144 144 LYS . 26854 1 145 145 GLU . 26854 1 146 146 LEU . 26854 1 147 147 PRO . 26854 1 148 148 ASP . 26854 1 149 149 ALA . 26854 1 150 150 ASN . 26854 1 151 151 LEU . 26854 1 152 152 ARG . 26854 1 153 153 PRO . 26854 1 154 154 GLU . 26854 1 155 155 ASP . 26854 1 156 156 LEU . 26854 1 157 157 TRP . 26854 1 158 158 ALA . 26854 1 159 159 ASN . 26854 1 160 160 HIS . 26854 1 161 161 GLY . 26854 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 . GLY 1 1 26854 1 . GLU 2 2 26854 1 . PHE 3 3 26854 1 . LEU 4 4 26854 1 . ALA 5 5 26854 1 . THR 6 6 26854 1 . THR 7 7 26854 1 . LEU 8 8 26854 1 . GLU 9 9 26854 1 . ARG 10 10 26854 1 . ILE 11 11 26854 1 . GLU 12 12 26854 1 . LYS 13 13 26854 1 . ASN 14 14 26854 1 . PHE 15 15 26854 1 . VAL 16 16 26854 1 . ILE 17 17 26854 1 . THR 18 18 26854 1 . ASP 19 19 26854 1 . PRO 20 20 26854 1 . ARG 21 21 26854 1 . LEU 22 22 26854 1 . PRO 23 23 26854 1 . ASP 24 24 26854 1 . ASN 25 25 26854 1 . PRO 26 26 26854 1 . ILE 27 27 26854 1 . ILE 28 28 26854 1 . PHE 29 29 26854 1 . ALA 30 30 26854 1 . SER 31 31 26854 1 . ASP 32 32 26854 1 . SER 33 33 26854 1 . PHE 34 34 26854 1 . LEU 35 35 26854 1 . GLN 36 36 26854 1 . LEU 37 37 26854 1 . THR 38 38 26854 1 . GLU 39 39 26854 1 . TYR 40 40 26854 1 . SER 41 41 26854 1 . ARG 42 42 26854 1 . GLU 43 43 26854 1 . GLU 44 44 26854 1 . ILE 45 45 26854 1 . LEU 46 46 26854 1 . GLY 47 47 26854 1 . ARG 48 48 26854 1 . ASN 49 49 26854 1 . CYS 50 50 26854 1 . ARG 51 51 26854 1 . PHE 52 52 26854 1 . LEU 53 53 26854 1 . GLN 54 54 26854 1 . GLY 55 55 26854 1 . PRO 56 56 26854 1 . GLU 57 57 26854 1 . THR 58 58 26854 1 . ASP 59 59 26854 1 . ARG 60 60 26854 1 . ALA 61 61 26854 1 . THR 62 62 26854 1 . VAL 63 63 26854 1 . ARG 64 64 26854 1 . LYS 65 65 26854 1 . ILE 66 66 26854 1 . ARG 67 67 26854 1 . ASP 68 68 26854 1 . ALA 69 69 26854 1 . ILE 70 70 26854 1 . ASP 71 71 26854 1 . ASN 72 72 26854 1 . GLN 73 73 26854 1 . THR 74 74 26854 1 . GLU 75 75 26854 1 . VAL 76 76 26854 1 . THR 77 77 26854 1 . VAL 78 78 26854 1 . GLN 79 79 26854 1 . LEU 80 80 26854 1 . ILE 81 81 26854 1 . ASN 82 82 26854 1 . TYR 83 83 26854 1 . THR 84 84 26854 1 . LYS 85 85 26854 1 . SER 86 86 26854 1 . GLY 87 87 26854 1 . LYS 88 88 26854 1 . LYS 89 89 26854 1 . PHE 90 90 26854 1 . TRP 91 91 26854 1 . ASN 92 92 26854 1 . LEU 93 93 26854 1 . PHE 94 94 26854 1 . HIS 95 95 26854 1 . LEU 96 96 26854 1 . GLN 97 97 26854 1 . PRO 98 98 26854 1 . MET 99 99 26854 1 . ARG 100 100 26854 1 . ASP 101 101 26854 1 . GLN 102 102 26854 1 . LYS 103 103 26854 1 . GLY 104 104 26854 1 . ASP 105 105 26854 1 . VAL 106 106 26854 1 . GLN 107 107 26854 1 . TYR 108 108 26854 1 . PHE 109 109 26854 1 . ILE 110 110 26854 1 . GLY 111 111 26854 1 . VAL 112 112 26854 1 . GLN 113 113 26854 1 . LEU 114 114 26854 1 . ASP 115 115 26854 1 . GLY 116 116 26854 1 . THR 117 117 26854 1 . GLU 118 118 26854 1 . HIS 119 119 26854 1 . VAL 120 120 26854 1 . ARG 121 121 26854 1 . ASP 122 122 26854 1 . ALA 123 123 26854 1 . ALA 124 124 26854 1 . GLU 125 125 26854 1 . ARG 126 126 26854 1 . GLU 127 127 26854 1 . GLY 128 128 26854 1 . VAL 129 129 26854 1 . MET 130 130 26854 1 . LEU 131 131 26854 1 . ILE 132 132 26854 1 . LYS 133 133 26854 1 . LYS 134 134 26854 1 . THR 135 135 26854 1 . ALA 136 136 26854 1 . GLU 137 137 26854 1 . ASN 138 138 26854 1 . ILE 139 139 26854 1 . ASP 140 140 26854 1 . GLU 141 141 26854 1 . ALA 142 142 26854 1 . ALA 143 143 26854 1 . LYS 144 144 26854 1 . GLU 145 145 26854 1 . LEU 146 146 26854 1 . PRO 147 147 26854 1 . ASP 148 148 26854 1 . ALA 149 149 26854 1 . ASN 150 150 26854 1 . LEU 151 151 26854 1 . ARG 152 152 26854 1 . PRO 153 153 26854 1 . GLU 154 154 26854 1 . ASP 155 155 26854 1 . LEU 156 156 26854 1 . TRP 157 157 26854 1 . ALA 158 158 26854 1 . ASN 159 159 26854 1 . HIS 160 160 26854 1 . GLY 161 161 26854 1 stop_ save_ save_entity_FMN _Entity.Sf_category entity _Entity.Sf_framecode entity_FMN _Entity.Entry_ID 26854 _Entity.ID 2 _Entity.BMRB_code FMN _Entity.Name 'FLAVIN MONONUCLEOTIDE' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID FMN _Entity.Nonpolymer_comp_label $chem_comp_FMN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 456.344 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FLAVIN MONONUCLEOTIDE' BMRB 26854 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'FLAVIN MONONUCLEOTIDE' BMRB 26854 2 FMN 'Three letter code' 26854 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 FMN $chem_comp_FMN 26854 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26854 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AsLOV2 . 4498 organism . 'Avena sativa' oat . . Eukaryota Viridiplantae Avena sativa . . . . . . . . . . . . . 26854 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 26854 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AsLOV2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pHis-GB1 . . . 26854 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FMN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FMN _Chem_comp.Entry_ID 26854 _Chem_comp.ID FMN _Chem_comp.Provenance PDB _Chem_comp.Name 'FLAVIN MONONUCLEOTIDE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code FMN _Chem_comp.PDB_code FMN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2016-02-17 _Chem_comp.Modified_date 2016-02-17 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FMN _Chem_comp.Number_atoms_all 52 _Chem_comp.Number_atoms_nh 31 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'RIBOFLAVIN MONOPHOSPHATE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C17 H21 N4 O9 P' _Chem_comp.Formula_weight 456.344 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FLM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C SMILES_CANONICAL CACTVS 3.385 26854 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C SMILES CACTVS 3.385 26854 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.7.6 26854 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 26854 FMN FVTCRASFADXXNN-SCRDCRAPSA-N InChIKey InChI 1.03 26854 FMN ; InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 ; InChI InChI 1.03 26854 FMN N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O SMILES ACDLabs 12.01 26854 FMN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol 'SYSTEMATIC NAME' ACDLabs 12.01 26854 FMN '[(2R,3S,4S)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 26854 FMN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 33.864 . 7.225 . 13.583 . 2.118 -2.493 0.531 1 . 26854 FMN C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 33.031 . 6.319 . 13.062 . 2.713 -3.638 0.206 2 . 26854 FMN O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 33.185 . 5.133 . 13.215 . 2.122 -4.677 0.445 3 . 26854 FMN N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 31.974 . 6.721 . 12.176 . 3.921 -3.721 -0.368 4 . 26854 FMN C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 31.788 . 8.007 . 11.826 . 4.636 -2.610 -0.664 5 . 26854 FMN O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 30.899 . 8.358 . 11.037 . 5.732 -2.682 -1.185 6 . 26854 FMN C4A C4A C4A C4A . C . . N 0 . . . 1 no no . . . . 32.736 . 8.990 . 12.357 . 4.027 -1.305 -0.325 7 . 26854 FMN N5 N5 N5 N5 . N . . N 0 . . . 1 no no . . . . 32.559 . 10.279 . 12.130 . 4.631 -0.170 -0.566 8 . 26854 FMN C5A C5A C5A C5A . C . . N 0 . . . 1 yes no . . . . 33.345 . 11.186 . 12.722 . 4.051 0.995 -0.246 9 . 26854 FMN C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 33.122 . 12.607 . 12.487 . 4.718 2.206 -0.514 10 . 26854 FMN C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . 33.814 . 13.518 . 13.226 . 4.131 3.392 -0.190 11 . 26854 FMN C7M C7M C7M C7M . C . . N 0 . . . 1 no no . . . . 33.489 . 15.018 . 13.122 . 4.850 4.683 -0.480 12 . 26854 FMN C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 34.893 . 13.117 . 14.090 . 2.874 3.423 0.405 13 . 26854 FMN C8M C8M C8M C8M . C . . N 0 . . . 1 no no . . . . 35.812 . 14.115 . 14.778 . 2.246 4.748 0.752 14 . 26854 FMN C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . 35.153 . 11.792 . 14.273 . 2.197 2.255 0.678 15 . 26854 FMN C9A C9A C9A C9A . C . . N 0 . . . 1 yes no . . . . 34.382 . 10.809 . 13.674 . 2.774 1.029 0.359 16 . 26854 FMN N10 N10 N10 N10 . N . . N 0 . . . 1 no no . . . . 34.557 . 9.434 . 13.883 . 2.101 -0.144 0.631 17 . 26854 FMN C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 33.786 . 8.495 . 13.263 . 2.695 -1.325 0.304 18 . 26854 FMN C1' C1' C1' C1' . C . . N 0 . . . 1 no no . . . . 35.554 . 8.925 . 14.861 . 0.777 -0.119 1.258 19 . 26854 FMN C2' C2' C2' C2' . C . . S 0 . . . 1 no no . . . . 34.789 . 8.587 . 16.157 . -0.300 -0.060 0.173 20 . 26854 FMN O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . 34.417 . 9.829 . 16.794 . -0.122 1.121 -0.611 21 . 26854 FMN C3' C3' C3' C3' . C . . S 0 . . . 1 no no . . . . 35.681 . 7.821 . 17.150 . -1.683 -0.035 0.827 22 . 26854 FMN O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 36.849 . 8.662 . 17.488 . -1.860 -1.217 1.611 23 . 26854 FMN C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 36.212 . 6.518 . 16.591 . -2.760 0.024 -0.258 24 . 26854 FMN O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . 35.149 . 5.804 . 15.909 . -2.582 1.206 -1.042 25 . 26854 FMN C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 36.712 . 5.634 . 17.721 . -4.142 0.049 0.397 26 . 26854 FMN O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 35.604 . 5.252 . 18.579 . -5.149 -0.013 -0.615 27 . 26854 FMN P P P P . P . . N 0 . . . 1 no no . . . . 35.837 . 4.628 . 20.038 . -6.725 -0.007 -0.285 28 . 26854 FMN O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 36.585 . 5.692 . 20.802 . -7.053 1.180 0.536 29 . 26854 FMN O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 36.682 . 3.364 . 19.847 . -7.561 0.045 -1.660 30 . 26854 FMN O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 34.436 . 4.306 . 20.554 . -7.109 -1.344 0.526 31 . 26854 FMN HN3 HN3 HN3 HN3 . H . . N 0 . . . 1 no no . . . . 31.358 . 6.024 . 11.808 . 4.291 -4.593 -0.577 32 . 26854 FMN H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 32.417 . 12.933 . 11.737 . 5.695 2.195 -0.975 33 . 26854 FMN HM71 HM71 HM71 HM71 . H . . N 0 . . . 0 no no . . . . 32.733 . 15.283 . 13.876 . 4.585 5.031 -1.479 34 . 26854 FMN HM72 HM72 HM72 HM72 . H . . N 0 . . . 0 no no . . . . 34.403 . 15.604 . 13.297 . 4.560 5.434 0.255 35 . 26854 FMN HM73 HM73 HM73 HM73 . H . . N 0 . . . 0 no no . . . . 33.098 . 15.240 . 12.118 . 5.927 4.520 -0.427 36 . 26854 FMN HM81 HM81 HM81 HM81 . H . . N 0 . . . 0 no no . . . . 35.406 . 14.366 . 15.769 . 1.656 5.103 -0.093 37 . 26854 FMN HM82 HM82 HM82 HM82 . H . . N 0 . . . 0 no no . . . . 36.813 . 13.673 . 14.893 . 1.599 4.627 1.622 38 . 26854 FMN HM83 HM83 HM83 HM83 . H . . N 0 . . . 0 no no . . . . 35.883 . 15.028 . 14.169 . 3.028 5.473 0.979 39 . 26854 FMN H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 35.982 . 11.500 . 14.901 . 1.222 2.290 1.141 40 . 26854 FMN H1'1 H1'1 H1'1 H1'1 . H . . N 0 . . . 0 no no . . . . 36.043 . 8.023 . 14.466 . 0.642 -1.021 1.856 41 . 26854 FMN H1'2 H1'2 H1'2 H1'2 . H . . N 0 . . . 0 no no . . . . 36.313 . 9.696 . 15.061 . 0.695 0.758 1.899 42 . 26854 FMN H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . 33.900 . 7.985 . 15.916 . -0.218 -0.938 -0.469 43 . 26854 FMN HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 no no . . . . 33.943 . 9.644 . 17.597 . -0.183 1.942 -0.104 44 . 26854 FMN H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 35.100 . 7.613 . 18.061 . -1.765 0.842 1.469 45 . 26854 FMN HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 no no . . . . 37.407 . 8.198 . 18.101 . -1.800 -2.038 1.104 46 . 26854 FMN H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 37.039 . 6.727 . 15.897 . -2.677 -0.853 -0.900 47 . 26854 FMN HO4' HO4' HO4' HO4' . H . . N 0 . . . 0 no no . . . . 35.488 . 4.988 . 15.561 . -2.642 2.027 -0.535 48 . 26854 FMN H5'1 H5'1 H5'1 H5'1 . H . . N 0 . . . 0 no no . . . . 37.175 . 4.730 . 17.299 . -4.244 -0.807 1.064 49 . 26854 FMN H5'2 H5'2 H5'2 H5'2 . H . . N 0 . . . 0 no no . . . . 37.458 . 6.185 . 18.312 . -4.257 0.971 0.967 50 . 26854 FMN HOP2 HOP2 HOP2 HOP2 . H . . N 0 . . . 0 no no . . . . 37.533 . 3.487 . 20.251 . -8.520 0.051 -1.537 51 . 26854 FMN HOP3 HOP3 HOP3 HOP3 . H . . N 0 . . . 0 no no . . . . 34.244 . 4.849 . 21.309 . -6.921 -2.162 0.047 52 . 26854 FMN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 no N 1 . 26854 FMN 2 . DOUB N1 C10 no N 2 . 26854 FMN 3 . DOUB C2 O2 no N 3 . 26854 FMN 4 . SING C2 N3 no N 4 . 26854 FMN 5 . SING N3 C4 no N 5 . 26854 FMN 6 . SING N3 HN3 no N 6 . 26854 FMN 7 . DOUB C4 O4 no N 7 . 26854 FMN 8 . SING C4 C4A no N 8 . 26854 FMN 9 . DOUB C4A N5 no N 9 . 26854 FMN 10 . SING C4A C10 no N 10 . 26854 FMN 11 . SING N5 C5A no N 11 . 26854 FMN 12 . DOUB C5A C6 yes N 12 . 26854 FMN 13 . SING C5A C9A yes N 13 . 26854 FMN 14 . SING C6 C7 yes N 14 . 26854 FMN 15 . SING C6 H6 no N 15 . 26854 FMN 16 . SING C7 C7M no N 16 . 26854 FMN 17 . DOUB C7 C8 yes N 17 . 26854 FMN 18 . SING C7M HM71 no N 18 . 26854 FMN 19 . SING C7M HM72 no N 19 . 26854 FMN 20 . SING C7M HM73 no N 20 . 26854 FMN 21 . SING C8 C8M no N 21 . 26854 FMN 22 . SING C8 C9 yes N 22 . 26854 FMN 23 . SING C8M HM81 no N 23 . 26854 FMN 24 . SING C8M HM82 no N 24 . 26854 FMN 25 . SING C8M HM83 no N 25 . 26854 FMN 26 . DOUB C9 C9A yes N 26 . 26854 FMN 27 . SING C9 H9 no N 27 . 26854 FMN 28 . SING C9A N10 no N 28 . 26854 FMN 29 . SING N10 C10 no N 29 . 26854 FMN 30 . SING N10 C1' no N 30 . 26854 FMN 31 . SING C1' C2' no N 31 . 26854 FMN 32 . SING C1' H1'1 no N 32 . 26854 FMN 33 . SING C1' H1'2 no N 33 . 26854 FMN 34 . SING C2' O2' no N 34 . 26854 FMN 35 . SING C2' C3' no N 35 . 26854 FMN 36 . SING C2' H2' no N 36 . 26854 FMN 37 . SING O2' HO2' no N 37 . 26854 FMN 38 . SING C3' O3' no N 38 . 26854 FMN 39 . SING C3' C4' no N 39 . 26854 FMN 40 . SING C3' H3' no N 40 . 26854 FMN 41 . SING O3' HO3' no N 41 . 26854 FMN 42 . SING C4' O4' no N 42 . 26854 FMN 43 . SING C4' C5' no N 43 . 26854 FMN 44 . SING C4' H4' no N 44 . 26854 FMN 45 . SING O4' HO4' no N 45 . 26854 FMN 46 . SING C5' O5' no N 46 . 26854 FMN 47 . SING C5' H5'1 no N 47 . 26854 FMN 48 . SING C5' H5'2 no N 48 . 26854 FMN 49 . SING O5' P no N 49 . 26854 FMN 50 . DOUB P O1P no N 50 . 26854 FMN 51 . SING P O2P no N 51 . 26854 FMN 52 . SING P O3P no N 52 . 26854 FMN 53 . SING O2P HOP2 no N 53 . 26854 FMN 54 . SING O3P HOP3 no N 54 . 26854 FMN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26854 _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 AsLOV2 '[U-100% 13C; U-100% 15N]' . . 1 $AsLOV2 . . . 0.1 0.5 mM . . . . 26854 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26854 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26854 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26854 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26854 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 26854 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 26854 1 pH 6.0 . pH 26854 1 pressure 1 . atm 26854 1 temperature 293 . K 26854 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26854 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26854 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26854 1 'peak picking' 26854 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26854 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26854 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26854 2 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 26854 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26854 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 26854 _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 . 600 . . . 26854 1 2 spectrometer_2 Varian INOVA . 500 . . . 26854 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 26854 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26854 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26854 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26854 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26854 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26854 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26854 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26854 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26854 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26854 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26854 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 26854 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26854 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26854 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26854 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 26854 _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' . . . 26854 1 2 '2D 1H-13C HSQC' . . . 26854 1 3 '3D HNCO' . . . 26854 1 4 '3D HNCACB' . . . 26854 1 5 '3D CBCA(CO)NH' . . . 26854 1 6 '3D C(CO)NH' . . . 26854 1 7 '3D HCCH-TOCSY' . . . 26854 1 8 '3D 1H-15N NOESY' . . . 26854 1 9 '3D 1H-13C NOESY aliphatic' . . . 26854 1 10 '3D 1H-13C NOESY aromatic' . . . 26854 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 GLY HA3 H 1 3.856 0.05 . 1 . . . . 1 GLY HA3 . 26854 1 2 . 1 1 1 1 GLY C C 13 169.978 0.3 . 1 . . . . 1 GLY C . 26854 1 3 . 1 1 1 1 GLY CA C 13 43.330 0.3 . 1 . . . . 1 GLY CA . 26854 1 4 . 1 1 2 2 GLU H H 1 8.664 0.05 . 1 . . . . 2 GLU HN . 26854 1 5 . 1 1 2 2 GLU HA H 1 4.309 0.05 . 1 . . . . 2 GLU HA . 26854 1 6 . 1 1 2 2 GLU HB2 H 1 1.844 0.05 . 1 . . . . 2 GLU HB2 . 26854 1 7 . 1 1 2 2 GLU HB3 H 1 1.943 0.05 . 1 . . . . 2 GLU HB3 . 26854 1 8 . 1 1 2 2 GLU HG2 H 1 2.130 0.05 . 1 . . . . 2 GLU HG2 . 26854 1 9 . 1 1 2 2 GLU HG3 H 1 2.186 0.05 . 1 . . . . 2 GLU HG3 . 26854 1 10 . 1 1 2 2 GLU C C 13 175.850 0.3 . 1 . . . . 2 GLU C . 26854 1 11 . 1 1 2 2 GLU CA C 13 56.407 0.3 . 1 . . . . 2 GLU CA . 26854 1 12 . 1 1 2 2 GLU CB C 13 30.589 0.3 . 1 . . . . 2 GLU CB . 26854 1 13 . 1 1 2 2 GLU CG C 13 35.952 0.3 . 1 . . . . 2 GLU CG . 26854 1 14 . 1 1 2 2 GLU N N 15 120.491 0.3 . 1 . . . . 2 GLU N . 26854 1 15 . 1 1 3 3 PHE H H 1 8.434 0.05 . 1 . . . . 3 PHE HN . 26854 1 16 . 1 1 3 3 PHE HA H 1 4.661 0.05 . 1 . . . . 3 PHE HA . 26854 1 17 . 1 1 3 3 PHE HB2 H 1 3.012 0.05 . 1 . . . . 3 PHE HB2 . 26854 1 18 . 1 1 3 3 PHE HB3 H 1 3.099 0.05 . 1 . . . . 3 PHE HB3 . 26854 1 19 . 1 1 3 3 PHE HD1 H 1 7.221 0.05 . 3 . . . . 3 PHE HD1 . 26854 1 20 . 1 1 3 3 PHE HE1 H 1 7.315 0.05 . 3 . . . . 3 PHE HE1 . 26854 1 21 . 1 1 3 3 PHE C C 13 175.202 0.3 . 1 . . . . 3 PHE C . 26854 1 22 . 1 1 3 3 PHE CA C 13 57.502 0.3 . 1 . . . . 3 PHE CA . 26854 1 23 . 1 1 3 3 PHE CB C 13 39.765 0.3 . 1 . . . . 3 PHE CB . 26854 1 24 . 1 1 3 3 PHE CD1 C 13 131.780 0.3 . 3 . . . . 3 PHE CD1 . 26854 1 25 . 1 1 3 3 PHE CE1 C 13 131.530 0.3 . 3 . . . . 3 PHE CE1 . 26854 1 26 . 1 1 3 3 PHE N N 15 121.270 0.3 . 1 . . . . 3 PHE N . 26854 1 27 . 1 1 4 4 LEU H H 1 8.356 0.05 . 1 . . . . 4 LEU HN . 26854 1 28 . 1 1 4 4 LEU HA H 1 4.307 0.05 . 1 . . . . 4 LEU HA . 26854 1 29 . 1 1 4 4 LEU HB3 H 1 1.593 0.05 . 1 . . . . 4 LEU HB3 . 26854 1 30 . 1 1 4 4 LEU HG H 1 1.529 0.05 . 1 . . . . 4 LEU HG . 26854 1 31 . 1 1 4 4 LEU HD11 H 1 0.899 0.05 . 2 . . . . 4 LEU HD11 . 26854 1 32 . 1 1 4 4 LEU HD12 H 1 0.899 0.05 . 2 . . . . 4 LEU HD11 . 26854 1 33 . 1 1 4 4 LEU HD13 H 1 0.899 0.05 . 2 . . . . 4 LEU HD11 . 26854 1 34 . 1 1 4 4 LEU HD21 H 1 0.841 0.05 . 2 . . . . 4 LEU HD21 . 26854 1 35 . 1 1 4 4 LEU HD22 H 1 0.841 0.05 . 2 . . . . 4 LEU HD21 . 26854 1 36 . 1 1 4 4 LEU HD23 H 1 0.841 0.05 . 2 . . . . 4 LEU HD21 . 26854 1 37 . 1 1 4 4 LEU C C 13 176.380 0.3 . 1 . . . . 4 LEU C . 26854 1 38 . 1 1 4 4 LEU CA C 13 54.706 0.3 . 1 . . . . 4 LEU CA . 26854 1 39 . 1 1 4 4 LEU CB C 13 42.406 0.3 . 1 . . . . 4 LEU CB . 26854 1 40 . 1 1 4 4 LEU CG C 13 26.936 0.3 . 1 . . . . 4 LEU CG . 26854 1 41 . 1 1 4 4 LEU CD1 C 13 24.900 0.3 . 2 . . . . 4 LEU CD1 . 26854 1 42 . 1 1 4 4 LEU CD2 C 13 23.759 0.3 . 2 . . . . 4 LEU CD2 . 26854 1 43 . 1 1 4 4 LEU N N 15 125.434 0.3 . 1 . . . . 4 LEU N . 26854 1 44 . 1 1 5 5 ALA H H 1 8.229 0.05 . 1 . . . . 5 ALA HN . 26854 1 45 . 1 1 5 5 ALA HA H 1 4.249 0.05 . 1 . . . . 5 ALA HA . 26854 1 46 . 1 1 5 5 ALA HB1 H 1 1.388 0.05 . 1 . . . . 5 ALA HB3 . 26854 1 47 . 1 1 5 5 ALA HB2 H 1 1.388 0.05 . 1 . . . . 5 ALA HB3 . 26854 1 48 . 1 1 5 5 ALA HB3 H 1 1.388 0.05 . 1 . . . . 5 ALA HB3 . 26854 1 49 . 1 1 5 5 ALA C C 13 177.861 0.3 . 1 . . . . 5 ALA C . 26854 1 50 . 1 1 5 5 ALA CA C 13 52.718 0.3 . 1 . . . . 5 ALA CA . 26854 1 51 . 1 1 5 5 ALA CB C 13 19.409 0.3 . 1 . . . . 5 ALA CB . 26854 1 52 . 1 1 5 5 ALA N N 15 124.962 0.3 . 1 . . . . 5 ALA N . 26854 1 53 . 1 1 6 6 THR H H 1 8.087 0.05 . 1 . . . . 6 THR HN . 26854 1 54 . 1 1 6 6 THR HA H 1 4.319 0.05 . 1 . . . . 6 THR HA . 26854 1 55 . 1 1 6 6 THR HB H 1 4.390 0.05 . 1 . . . . 6 THR HB . 26854 1 56 . 1 1 6 6 THR HG21 H 1 1.211 0.05 . 1 . . . . 6 THR HG21 . 26854 1 57 . 1 1 6 6 THR HG22 H 1 1.211 0.05 . 1 . . . . 6 THR HG21 . 26854 1 58 . 1 1 6 6 THR HG23 H 1 1.211 0.05 . 1 . . . . 6 THR HG21 . 26854 1 59 . 1 1 6 6 THR C C 13 177.872 0.3 . 1 . . . . 6 THR C . 26854 1 60 . 1 1 6 6 THR CA C 13 61.956 0.3 . 1 . . . . 6 THR CA . 26854 1 61 . 1 1 6 6 THR CB C 13 71.067 0.3 . 1 . . . . 6 THR CB . 26854 1 62 . 1 1 6 6 THR CG2 C 13 21.936 0.3 . 1 . . . . 6 THR CG2 . 26854 1 63 . 1 1 6 6 THR N N 15 112.277 0.3 . 1 . . . . 6 THR N . 26854 1 64 . 1 1 7 7 THR HA H 1 3.836 0.05 . 1 . . . . 7 THR HA . 26854 1 65 . 1 1 7 7 THR HB H 1 4.180 0.05 . 1 . . . . 7 THR HB . 26854 1 66 . 1 1 7 7 THR HG21 H 1 1.204 0.05 . 1 . . . . 7 THR HG21 . 26854 1 67 . 1 1 7 7 THR HG22 H 1 1.204 0.05 . 1 . . . . 7 THR HG21 . 26854 1 68 . 1 1 7 7 THR HG23 H 1 1.204 0.05 . 1 . . . . 7 THR HG21 . 26854 1 69 . 1 1 7 7 THR CA C 13 65.721 0.3 . 1 . . . . 7 THR CA . 26854 1 70 . 1 1 7 7 THR CB C 13 67.842 0.3 . 1 . . . . 7 THR CB . 26854 1 71 . 1 1 7 7 THR CG2 C 13 23.108 0.3 . 1 . . . . 7 THR CG2 . 26854 1 72 . 1 1 9 9 GLU HA H 1 4.193 0.05 . 1 . . . . 9 GLU HA . 26854 1 73 . 1 1 9 9 GLU HB3 H 1 2.285 0.05 . 1 . . . . 9 GLU HB3 . 26854 1 74 . 1 1 9 9 GLU HG2 H 1 2.268 0.05 . 1 . . . . 9 GLU HG2 . 26854 1 75 . 1 1 9 9 GLU HG3 H 1 2.571 0.05 . 1 . . . . 9 GLU HG3 . 26854 1 76 . 1 1 9 9 GLU C C 13 175.962 0.3 . 1 . . . . 9 GLU C . 26854 1 77 . 1 1 9 9 GLU CA C 13 58.441 0.3 . 1 . . . . 9 GLU CA . 26854 1 78 . 1 1 9 9 GLU CB C 13 31.002 0.3 . 1 . . . . 9 GLU CB . 26854 1 79 . 1 1 9 9 GLU CG C 13 38.520 0.3 . 1 . . . . 9 GLU CG . 26854 1 80 . 1 1 10 10 ARG H H 1 7.622 0.05 . 1 . . . . 10 ARG HN . 26854 1 81 . 1 1 10 10 ARG HA H 1 4.496 0.05 . 1 . . . . 10 ARG HA . 26854 1 82 . 1 1 10 10 ARG HB2 H 1 1.833 0.05 . 1 . . . . 10 ARG HB2 . 26854 1 83 . 1 1 10 10 ARG HB3 H 1 2.123 0.05 . 1 . . . . 10 ARG HB3 . 26854 1 84 . 1 1 10 10 ARG HG2 H 1 1.627 0.05 . 1 . . . . 10 ARG HG2 . 26854 1 85 . 1 1 10 10 ARG HG3 H 1 1.785 0.05 . 1 . . . . 10 ARG HG3 . 26854 1 86 . 1 1 10 10 ARG HD3 H 1 3.168 0.05 . 1 . . . . 10 ARG HD3 . 26854 1 87 . 1 1 10 10 ARG HE H 1 7.009 0.05 . 1 . . . . 10 ARG HE . 26854 1 88 . 1 1 10 10 ARG C C 13 176.286 0.3 . 1 . . . . 10 ARG C . 26854 1 89 . 1 1 10 10 ARG CA C 13 56.012 0.3 . 1 . . . . 10 ARG CA . 26854 1 90 . 1 1 10 10 ARG CB C 13 31.053 0.3 . 1 . . . . 10 ARG CB . 26854 1 91 . 1 1 10 10 ARG CG C 13 27.734 0.3 . 1 . . . . 10 ARG CG . 26854 1 92 . 1 1 10 10 ARG CD C 13 43.539 0.3 . 1 . . . . 10 ARG CD . 26854 1 93 . 1 1 10 10 ARG N N 15 116.380 0.3 . 1 . . . . 10 ARG N . 26854 1 94 . 1 1 10 10 ARG NE N 15 84.511 0.3 . 1 . . . . 10 ARG NE . 26854 1 95 . 1 1 11 11 ILE H H 1 7.198 0.05 . 1 . . . . 11 ILE HN . 26854 1 96 . 1 1 11 11 ILE HA H 1 4.037 0.05 . 1 . . . . 11 ILE HA . 26854 1 97 . 1 1 11 11 ILE HB H 1 2.223 0.05 . 1 . . . . 11 ILE HB . 26854 1 98 . 1 1 11 11 ILE HG12 H 1 1.016 0.05 . 1 . . . . 11 ILE HG12 . 26854 1 99 . 1 1 11 11 ILE HG13 H 1 2.010 0.05 . 1 . . . . 11 ILE HG13 . 26854 1 100 . 1 1 11 11 ILE HG21 H 1 0.925 0.05 . 1 . . . . 11 ILE HG21 . 26854 1 101 . 1 1 11 11 ILE HG22 H 1 0.925 0.05 . 1 . . . . 11 ILE HG21 . 26854 1 102 . 1 1 11 11 ILE HG23 H 1 0.925 0.05 . 1 . . . . 11 ILE HG21 . 26854 1 103 . 1 1 11 11 ILE HD11 H 1 0.634 0.05 . 1 . . . . 11 ILE HD11 . 26854 1 104 . 1 1 11 11 ILE HD12 H 1 0.634 0.05 . 1 . . . . 11 ILE HD11 . 26854 1 105 . 1 1 11 11 ILE HD13 H 1 0.634 0.05 . 1 . . . . 11 ILE HD11 . 26854 1 106 . 1 1 11 11 ILE C C 13 176.985 0.3 . 1 . . . . 11 ILE C . 26854 1 107 . 1 1 11 11 ILE CA C 13 63.247 0.3 . 1 . . . . 11 ILE CA . 26854 1 108 . 1 1 11 11 ILE CB C 13 38.136 0.3 . 1 . . . . 11 ILE CB . 26854 1 109 . 1 1 11 11 ILE CG1 C 13 27.494 0.3 . 1 . . . . 11 ILE CG1 . 26854 1 110 . 1 1 11 11 ILE CG2 C 13 16.995 0.3 . 1 . . . . 11 ILE CG2 . 26854 1 111 . 1 1 11 11 ILE CD1 C 13 14.203 0.3 . 1 . . . . 11 ILE CD1 . 26854 1 112 . 1 1 11 11 ILE N N 15 120.442 0.3 . 1 . . . . 11 ILE N . 26854 1 113 . 1 1 12 12 GLU H H 1 9.249 0.05 . 1 . . . . 12 GLU HN . 26854 1 114 . 1 1 12 12 GLU HA H 1 4.723 0.05 . 1 . . . . 12 GLU HA . 26854 1 115 . 1 1 12 12 GLU HB2 H 1 1.964 0.05 . 1 . . . . 12 GLU HB2 . 26854 1 116 . 1 1 12 12 GLU HB3 H 1 2.205 0.05 . 1 . . . . 12 GLU HB3 . 26854 1 117 . 1 1 12 12 GLU HG2 H 1 2.284 0.05 . 1 . . . . 12 GLU HG2 . 26854 1 118 . 1 1 12 12 GLU HG3 H 1 2.442 0.05 . 1 . . . . 12 GLU HG3 . 26854 1 119 . 1 1 12 12 GLU C C 13 175.569 0.3 . 1 . . . . 12 GLU C . 26854 1 120 . 1 1 12 12 GLU CA C 13 55.839 0.3 . 1 . . . . 12 GLU CA . 26854 1 121 . 1 1 12 12 GLU CB C 13 28.051 0.3 . 1 . . . . 12 GLU CB . 26854 1 122 . 1 1 12 12 GLU CG C 13 36.169 0.3 . 1 . . . . 12 GLU CG . 26854 1 123 . 1 1 12 12 GLU N N 15 108.605 0.3 . 1 . . . . 12 GLU N . 26854 1 124 . 1 1 13 13 LYS H H 1 7.586 0.05 . 1 . . . . 13 LYS HN . 26854 1 125 . 1 1 13 13 LYS HA H 1 4.884 0.05 . 1 . . . . 13 LYS HA . 26854 1 126 . 1 1 13 13 LYS HB2 H 1 1.532 0.05 . 1 . . . . 13 LYS HB2 . 26854 1 127 . 1 1 13 13 LYS HB3 H 1 2.220 0.05 . 1 . . . . 13 LYS HB3 . 26854 1 128 . 1 1 13 13 LYS HG2 H 1 1.352 0.05 . 1 . . . . 13 LYS HG2 . 26854 1 129 . 1 1 13 13 LYS HG3 H 1 1.620 0.05 . 1 . . . . 13 LYS HG3 . 26854 1 130 . 1 1 13 13 LYS HD2 H 1 1.761 0.05 . 1 . . . . 13 LYS HD2 . 26854 1 131 . 1 1 13 13 LYS HD3 H 1 1.984 0.05 . 1 . . . . 13 LYS HD3 . 26854 1 132 . 1 1 13 13 LYS HE2 H 1 2.917 0.05 . 1 . . . . 13 LYS HE2 . 26854 1 133 . 1 1 13 13 LYS HE3 H 1 3.065 0.05 . 1 . . . . 13 LYS HE3 . 26854 1 134 . 1 1 13 13 LYS C C 13 175.962 0.3 . 1 . . . . 13 LYS C . 26854 1 135 . 1 1 13 13 LYS CA C 13 52.609 0.3 . 1 . . . . 13 LYS CA . 26854 1 136 . 1 1 13 13 LYS CB C 13 36.254 0.3 . 1 . . . . 13 LYS CB . 26854 1 137 . 1 1 13 13 LYS CG C 13 24.352 0.3 . 1 . . . . 13 LYS CG . 26854 1 138 . 1 1 13 13 LYS CD C 13 28.197 0.3 . 1 . . . . 13 LYS CD . 26854 1 139 . 1 1 13 13 LYS CE C 13 42.500 0.3 . 1 . . . . 13 LYS CE . 26854 1 140 . 1 1 13 13 LYS N N 15 117.544 0.3 . 1 . . . . 13 LYS N . 26854 1 141 . 1 1 14 14 ASN H H 1 9.578 0.05 . 1 . . . . 14 ASN HN . 26854 1 142 . 1 1 14 14 ASN HA H 1 4.538 0.05 . 1 . . . . 14 ASN HA . 26854 1 143 . 1 1 14 14 ASN HB3 H 1 2.782 0.05 . 1 . . . . 14 ASN HB3 . 26854 1 144 . 1 1 14 14 ASN HD21 H 1 7.220 0.05 . 1 . . . . 14 ASN HD21 . 26854 1 145 . 1 1 14 14 ASN HD22 H 1 6.635 0.05 . 1 . . . . 14 ASN HD22 . 26854 1 146 . 1 1 14 14 ASN C C 13 172.552 0.3 . 1 . . . . 14 ASN C . 26854 1 147 . 1 1 14 14 ASN CA C 13 54.013 0.3 . 1 . . . . 14 ASN CA . 26854 1 148 . 1 1 14 14 ASN CB C 13 39.028 0.3 . 1 . . . . 14 ASN CB . 26854 1 149 . 1 1 14 14 ASN N N 15 122.717 0.3 . 1 . . . . 14 ASN N . 26854 1 150 . 1 1 14 14 ASN ND2 N 15 113.388 0.3 . 1 . . . . 14 ASN ND2 . 26854 1 151 . 1 1 15 15 PHE H H 1 7.886 0.05 . 1 . . . . 15 PHE HN . 26854 1 152 . 1 1 15 15 PHE HA H 1 6.187 0.05 . 1 . . . . 15 PHE HA . 26854 1 153 . 1 1 15 15 PHE HB2 H 1 3.290 0.05 . 1 . . . . 15 PHE HB2 . 26854 1 154 . 1 1 15 15 PHE HB3 H 1 3.445 0.05 . 1 . . . . 15 PHE HB3 . 26854 1 155 . 1 1 15 15 PHE HD1 H 1 6.964 0.05 . 3 . . . . 15 PHE HD1 . 26854 1 156 . 1 1 15 15 PHE HE1 H 1 7.602 0.05 . 3 . . . . 15 PHE HE1 . 26854 1 157 . 1 1 15 15 PHE HZ H 1 7.146 0.05 . 1 . . . . 15 PHE HZ . 26854 1 158 . 1 1 15 15 PHE C C 13 173.220 0.3 . 1 . . . . 15 PHE C . 26854 1 159 . 1 1 15 15 PHE CA C 13 57.462 0.3 . 1 . . . . 15 PHE CA . 26854 1 160 . 1 1 15 15 PHE CB C 13 41.835 0.3 . 1 . . . . 15 PHE CB . 26854 1 161 . 1 1 15 15 PHE CD1 C 13 131.600 0.3 . 3 . . . . 15 PHE CD1 . 26854 1 162 . 1 1 15 15 PHE CE1 C 13 129.777 0.3 . 3 . . . . 15 PHE CE1 . 26854 1 163 . 1 1 15 15 PHE CZ C 13 129.944 0.3 . 1 . . . . 15 PHE CZ . 26854 1 164 . 1 1 15 15 PHE N N 15 117.602 0.3 . 1 . . . . 15 PHE N . 26854 1 165 . 1 1 16 16 VAL H H 1 9.271 0.05 . 1 . . . . 16 VAL HN . 26854 1 166 . 1 1 16 16 VAL HA H 1 4.910 0.05 . 1 . . . . 16 VAL HA . 26854 1 167 . 1 1 16 16 VAL HB H 1 1.880 0.05 . 1 . . . . 16 VAL HB . 26854 1 168 . 1 1 16 16 VAL HG11 H 1 0.847 0.05 . 2 . . . . 16 VAL HG13 . 26854 1 169 . 1 1 16 16 VAL HG12 H 1 0.847 0.05 . 2 . . . . 16 VAL HG13 . 26854 1 170 . 1 1 16 16 VAL HG13 H 1 0.847 0.05 . 2 . . . . 16 VAL HG13 . 26854 1 171 . 1 1 16 16 VAL HG21 H 1 0.129 0.05 . 2 . . . . 16 VAL HG21 . 26854 1 172 . 1 1 16 16 VAL HG22 H 1 0.129 0.05 . 2 . . . . 16 VAL HG21 . 26854 1 173 . 1 1 16 16 VAL HG23 H 1 0.129 0.05 . 2 . . . . 16 VAL HG21 . 26854 1 174 . 1 1 16 16 VAL C C 13 174.220 0.3 . 1 . . . . 16 VAL C . 26854 1 175 . 1 1 16 16 VAL CA C 13 58.485 0.3 . 1 . . . . 16 VAL CA . 26854 1 176 . 1 1 16 16 VAL CB C 13 36.320 0.3 . 1 . . . . 16 VAL CB . 26854 1 177 . 1 1 16 16 VAL CG1 C 13 20.843 0.3 . 2 . . . . 16 VAL CG1 . 26854 1 178 . 1 1 16 16 VAL CG2 C 13 20.950 0.3 . 2 . . . . 16 VAL CG2 . 26854 1 179 . 1 1 16 16 VAL N N 15 109.931 0.3 . 1 . . . . 16 VAL N . 26854 1 180 . 1 1 17 17 ILE H H 1 8.810 0.05 . 1 . . . . 17 ILE HN . 26854 1 181 . 1 1 17 17 ILE HA H 1 5.532 0.05 . 1 . . . . 17 ILE HA . 26854 1 182 . 1 1 17 17 ILE HB H 1 1.613 0.05 . 1 . . . . 17 ILE HB . 26854 1 183 . 1 1 17 17 ILE HG12 H 1 1.235 0.05 . 1 . . . . 17 ILE HG12 . 26854 1 184 . 1 1 17 17 ILE HG13 H 1 1.838 0.05 . 1 . . . . 17 ILE HG13 . 26854 1 185 . 1 1 17 17 ILE HG21 H 1 0.750 0.05 . 1 . . . . 17 ILE HG21 . 26854 1 186 . 1 1 17 17 ILE HG22 H 1 0.750 0.05 . 1 . . . . 17 ILE HG21 . 26854 1 187 . 1 1 17 17 ILE HG23 H 1 0.750 0.05 . 1 . . . . 17 ILE HG21 . 26854 1 188 . 1 1 17 17 ILE HD11 H 1 0.669 0.05 . 1 . . . . 17 ILE HD11 . 26854 1 189 . 1 1 17 17 ILE HD12 H 1 0.669 0.05 . 1 . . . . 17 ILE HD11 . 26854 1 190 . 1 1 17 17 ILE HD13 H 1 0.669 0.05 . 1 . . . . 17 ILE HD11 . 26854 1 191 . 1 1 17 17 ILE C C 13 176.114 0.3 . 1 . . . . 17 ILE C . 26854 1 192 . 1 1 17 17 ILE CA C 13 59.957 0.3 . 1 . . . . 17 ILE CA . 26854 1 193 . 1 1 17 17 ILE CB C 13 40.984 0.3 . 1 . . . . 17 ILE CB . 26854 1 194 . 1 1 17 17 ILE CG1 C 13 27.840 0.3 . 1 . . . . 17 ILE CG1 . 26854 1 195 . 1 1 17 17 ILE CG2 C 13 18.100 0.3 . 1 . . . . 17 ILE CG2 . 26854 1 196 . 1 1 17 17 ILE CD1 C 13 13.370 0.3 . 1 . . . . 17 ILE CD1 . 26854 1 197 . 1 1 17 17 ILE N N 15 120.749 0.3 . 1 . . . . 17 ILE N . 26854 1 198 . 1 1 18 18 THR H H 1 9.517 0.05 . 1 . . . . 18 THR HN . 26854 1 199 . 1 1 18 18 THR HA H 1 5.488 0.05 . 1 . . . . 18 THR HA . 26854 1 200 . 1 1 18 18 THR HB H 1 3.912 0.05 . 1 . . . . 18 THR HB . 26854 1 201 . 1 1 18 18 THR HG21 H 1 0.707 0.05 . 1 . . . . 18 THR HG21 . 26854 1 202 . 1 1 18 18 THR HG22 H 1 0.707 0.05 . 1 . . . . 18 THR HG21 . 26854 1 203 . 1 1 18 18 THR HG23 H 1 0.707 0.05 . 1 . . . . 18 THR HG21 . 26854 1 204 . 1 1 18 18 THR C C 13 173.942 0.3 . 1 . . . . 18 THR C . 26854 1 205 . 1 1 18 18 THR CA C 13 59.869 0.3 . 1 . . . . 18 THR CA . 26854 1 206 . 1 1 18 18 THR CB C 13 70.885 0.3 . 1 . . . . 18 THR CB . 26854 1 207 . 1 1 18 18 THR CG2 C 13 20.102 0.3 . 1 . . . . 18 THR CG2 . 26854 1 208 . 1 1 18 18 THR N N 15 119.098 0.3 . 1 . . . . 18 THR N . 26854 1 209 . 1 1 19 19 ASP H H 1 7.674 0.05 . 1 . . . . 19 ASP HN . 26854 1 210 . 1 1 19 19 ASP HA H 1 5.860 0.05 . 1 . . . . 19 ASP HA . 26854 1 211 . 1 1 19 19 ASP HB2 H 1 2.612 0.05 . 1 . . . . 19 ASP HB2 . 26854 1 212 . 1 1 19 19 ASP HB3 H 1 3.175 0.05 . 1 . . . . 19 ASP HB3 . 26854 1 213 . 1 1 19 19 ASP C C 13 175.019 0.3 . 1 . . . . 19 ASP C . 26854 1 214 . 1 1 19 19 ASP CA C 13 49.544 0.3 . 1 . . . . 19 ASP CA . 26854 1 215 . 1 1 19 19 ASP CB C 13 43.739 0.3 . 1 . . . . 19 ASP CB . 26854 1 216 . 1 1 19 19 ASP N N 15 117.541 0.3 . 1 . . . . 19 ASP N . 26854 1 217 . 1 1 20 20 PRO HA H 1 4.452 0.05 . 1 . . . . 20 PRO HA . 26854 1 218 . 1 1 20 20 PRO HB2 H 1 2.238 0.05 . 1 . . . . 20 PRO HB2 . 26854 1 219 . 1 1 20 20 PRO HB3 H 1 2.330 0.05 . 1 . . . . 20 PRO HB3 . 26854 1 220 . 1 1 20 20 PRO HG2 H 1 1.669 0.05 . 1 . . . . 20 PRO HG2 . 26854 1 221 . 1 1 20 20 PRO HG3 H 1 1.699 0.05 . 1 . . . . 20 PRO HG3 . 26854 1 222 . 1 1 20 20 PRO HD3 H 1 3.761 0.05 . 1 . . . . 20 PRO HD3 . 26854 1 223 . 1 1 20 20 PRO C C 13 177.584 0.3 . 1 . . . . 20 PRO C . 26854 1 224 . 1 1 20 20 PRO CA C 13 63.541 0.3 . 1 . . . . 20 PRO CA . 26854 1 225 . 1 1 20 20 PRO CB C 13 31.898 0.3 . 1 . . . . 20 PRO CB . 26854 1 226 . 1 1 20 20 PRO CG C 13 25.832 0.3 . 1 . . . . 20 PRO CG . 26854 1 227 . 1 1 20 20 PRO CD C 13 50.629 0.3 . 1 . . . . 20 PRO CD . 26854 1 228 . 1 1 21 21 ARG H H 1 8.939 0.05 . 1 . . . . 21 ARG HN . 26854 1 229 . 1 1 21 21 ARG HA H 1 4.220 0.05 . 1 . . . . 21 ARG HA . 26854 1 230 . 1 1 21 21 ARG HB2 H 1 1.941 0.05 . 1 . . . . 21 ARG HB2 . 26854 1 231 . 1 1 21 21 ARG HB3 H 1 2.084 0.05 . 1 . . . . 21 ARG HB3 . 26854 1 232 . 1 1 21 21 ARG HG2 H 1 1.596 0.05 . 1 . . . . 21 ARG HG2 . 26854 1 233 . 1 1 21 21 ARG HG3 H 1 1.722 0.05 . 1 . . . . 21 ARG HG3 . 26854 1 234 . 1 1 21 21 ARG HD3 H 1 3.200 0.05 . 1 . . . . 21 ARG HD3 . 26854 1 235 . 1 1 21 21 ARG HE H 1 7.972 0.05 . 1 . . . . 21 ARG HE . 26854 1 236 . 1 1 21 21 ARG C C 13 176.971 0.3 . 1 . . . . 21 ARG C . 26854 1 237 . 1 1 21 21 ARG CA C 13 56.858 0.3 . 1 . . . . 21 ARG CA . 26854 1 238 . 1 1 21 21 ARG CB C 13 29.236 0.3 . 1 . . . . 21 ARG CB . 26854 1 239 . 1 1 21 21 ARG CG C 13 27.170 0.3 . 1 . . . . 21 ARG CG . 26854 1 240 . 1 1 21 21 ARG CD C 13 43.050 0.3 . 1 . . . . 21 ARG CD . 26854 1 241 . 1 1 21 21 ARG N N 15 121.357 0.3 . 1 . . . . 21 ARG N . 26854 1 242 . 1 1 21 21 ARG NE N 15 87.024 0.3 . 1 . . . . 21 ARG NE . 26854 1 243 . 1 1 22 22 LEU H H 1 7.580 0.05 . 1 . . . . 22 LEU HN . 26854 1 244 . 1 1 22 22 LEU HA H 1 4.757 0.05 . 1 . . . . 22 LEU HA . 26854 1 245 . 1 1 22 22 LEU HB2 H 1 1.421 0.05 . 1 . . . . 22 LEU HB2 . 26854 1 246 . 1 1 22 22 LEU HB3 H 1 1.741 0.05 . 1 . . . . 22 LEU HB3 . 26854 1 247 . 1 1 22 22 LEU HG H 1 1.598 0.05 . 1 . . . . 22 LEU HG . 26854 1 248 . 1 1 22 22 LEU HD11 H 1 0.981 0.05 . 2 . . . . 22 LEU HD11 . 26854 1 249 . 1 1 22 22 LEU HD12 H 1 0.981 0.05 . 2 . . . . 22 LEU HD11 . 26854 1 250 . 1 1 22 22 LEU HD13 H 1 0.981 0.05 . 2 . . . . 22 LEU HD11 . 26854 1 251 . 1 1 22 22 LEU HD21 H 1 0.914 0.05 . 2 . . . . 22 LEU HD21 . 26854 1 252 . 1 1 22 22 LEU HD22 H 1 0.914 0.05 . 2 . . . . 22 LEU HD21 . 26854 1 253 . 1 1 22 22 LEU HD23 H 1 0.914 0.05 . 2 . . . . 22 LEU HD21 . 26854 1 254 . 1 1 22 22 LEU CA C 13 51.886 0.3 . 1 . . . . 22 LEU CA . 26854 1 255 . 1 1 22 22 LEU CB C 13 41.737 0.3 . 1 . . . . 22 LEU CB . 26854 1 256 . 1 1 22 22 LEU CG C 13 27.000 0.3 . 1 . . . . 22 LEU CG . 26854 1 257 . 1 1 22 22 LEU CD1 C 13 25.892 0.3 . 2 . . . . 22 LEU CD1 . 26854 1 258 . 1 1 22 22 LEU CD2 C 13 22.325 0.3 . 2 . . . . 22 LEU CD2 . 26854 1 259 . 1 1 22 22 LEU N N 15 121.626 0.3 . 1 . . . . 22 LEU N . 26854 1 260 . 1 1 23 23 PRO HA H 1 4.177 0.05 . 1 . . . . 23 PRO HA . 26854 1 261 . 1 1 23 23 PRO HB2 H 1 1.855 0.05 . 1 . . . . 23 PRO HB2 . 26854 1 262 . 1 1 23 23 PRO HB3 H 1 2.246 0.05 . 1 . . . . 23 PRO HB3 . 26854 1 263 . 1 1 23 23 PRO HG2 H 1 1.990 0.05 . 1 . . . . 23 PRO HG2 . 26854 1 264 . 1 1 23 23 PRO HG3 H 1 2.132 0.05 . 1 . . . . 23 PRO HG3 . 26854 1 265 . 1 1 23 23 PRO HD2 H 1 3.577 0.05 . 1 . . . . 23 PRO HD2 . 26854 1 266 . 1 1 23 23 PRO HD3 H 1 3.828 0.05 . 1 . . . . 23 PRO HD3 . 26854 1 267 . 1 1 23 23 PRO C C 13 177.496 0.3 . 1 . . . . 23 PRO C . 26854 1 268 . 1 1 23 23 PRO CA C 13 64.044 0.3 . 1 . . . . 23 PRO CA . 26854 1 269 . 1 1 23 23 PRO CB C 13 31.490 0.3 . 1 . . . . 23 PRO CB . 26854 1 270 . 1 1 23 23 PRO CG C 13 27.752 0.3 . 1 . . . . 23 PRO CG . 26854 1 271 . 1 1 23 23 PRO CD C 13 50.439 0.3 . 1 . . . . 23 PRO CD . 26854 1 272 . 1 1 24 24 ASP H H 1 8.996 0.05 . 1 . . . . 24 ASP HN . 26854 1 273 . 1 1 24 24 ASP HA H 1 4.334 0.05 . 1 . . . . 24 ASP HA . 26854 1 274 . 1 1 24 24 ASP HB2 H 1 2.269 0.05 . 1 . . . . 24 ASP HB2 . 26854 1 275 . 1 1 24 24 ASP HB3 H 1 3.102 0.05 . 1 . . . . 24 ASP HB3 . 26854 1 276 . 1 1 24 24 ASP C C 13 175.427 0.3 . 1 . . . . 24 ASP C . 26854 1 277 . 1 1 24 24 ASP CA C 13 54.674 0.3 . 1 . . . . 24 ASP CA . 26854 1 278 . 1 1 24 24 ASP CB C 13 42.080 0.3 . 1 . . . . 24 ASP CB . 26854 1 279 . 1 1 24 24 ASP N N 15 121.547 0.3 . 1 . . . . 24 ASP N . 26854 1 280 . 1 1 25 25 ASN H H 1 8.061 0.05 . 1 . . . . 25 ASN HN . 26854 1 281 . 1 1 25 25 ASN HA H 1 4.623 0.05 . 1 . . . . 25 ASN HA . 26854 1 282 . 1 1 25 25 ASN HB2 H 1 2.549 0.05 . 1 . . . . 25 ASN HB2 . 26854 1 283 . 1 1 25 25 ASN HB3 H 1 3.391 0.05 . 1 . . . . 25 ASN HB3 . 26854 1 284 . 1 1 25 25 ASN HD21 H 1 7.568 0.05 . 1 . . . . 25 ASN HD21 . 26854 1 285 . 1 1 25 25 ASN CA C 13 52.560 0.3 . 1 . . . . 25 ASN CA . 26854 1 286 . 1 1 25 25 ASN CB C 13 37.829 0.3 . 1 . . . . 25 ASN CB . 26854 1 287 . 1 1 25 25 ASN N N 15 115.343 0.3 . 1 . . . . 25 ASN N . 26854 1 288 . 1 1 25 25 ASN ND2 N 15 105.070 0.3 . 1 . . . . 25 ASN ND2 . 26854 1 289 . 1 1 26 26 PRO HA H 1 3.931 0.05 . 1 . . . . 26 PRO HA . 26854 1 290 . 1 1 26 26 PRO HB2 H 1 1.429 0.05 . 1 . . . . 26 PRO HB2 . 26854 1 291 . 1 1 26 26 PRO HB3 H 1 1.745 0.05 . 1 . . . . 26 PRO HB3 . 26854 1 292 . 1 1 26 26 PRO HG3 H 1 1.924 0.05 . 1 . . . . 26 PRO HG3 . 26854 1 293 . 1 1 26 26 PRO HD2 H 1 3.568 0.05 . 1 . . . . 26 PRO HD2 . 26854 1 294 . 1 1 26 26 PRO HD3 H 1 4.188 0.05 . 1 . . . . 26 PRO HD3 . 26854 1 295 . 1 1 26 26 PRO C C 13 176.948 0.3 . 1 . . . . 26 PRO C . 26854 1 296 . 1 1 26 26 PRO CA C 13 62.038 0.3 . 1 . . . . 26 PRO CA . 26854 1 297 . 1 1 26 26 PRO CB C 13 33.748 0.3 . 1 . . . . 26 PRO CB . 26854 1 298 . 1 1 26 26 PRO CG C 13 26.660 0.3 . 1 . . . . 26 PRO CG . 26854 1 299 . 1 1 26 26 PRO CD C 13 49.197 0.3 . 1 . . . . 26 PRO CD . 26854 1 300 . 1 1 27 27 ILE H H 1 7.862 0.05 . 1 . . . . 27 ILE HN . 26854 1 301 . 1 1 27 27 ILE HA H 1 3.649 0.05 . 1 . . . . 27 ILE HA . 26854 1 302 . 1 1 27 27 ILE HB H 1 2.055 0.05 . 1 . . . . 27 ILE HB . 26854 1 303 . 1 1 27 27 ILE HG12 H 1 0.309 0.05 . 1 . . . . 27 ILE HG12 . 26854 1 304 . 1 1 27 27 ILE HG13 H 1 1.943 0.05 . 1 . . . . 27 ILE HG13 . 26854 1 305 . 1 1 27 27 ILE HG21 H 1 0.662 0.05 . 1 . . . . 27 ILE HG21 . 26854 1 306 . 1 1 27 27 ILE HG22 H 1 0.662 0.05 . 1 . . . . 27 ILE HG21 . 26854 1 307 . 1 1 27 27 ILE HG23 H 1 0.662 0.05 . 1 . . . . 27 ILE HG21 . 26854 1 308 . 1 1 27 27 ILE HD11 H 1 0.950 0.05 . 1 . . . . 27 ILE HD11 . 26854 1 309 . 1 1 27 27 ILE HD12 H 1 0.950 0.05 . 1 . . . . 27 ILE HD11 . 26854 1 310 . 1 1 27 27 ILE HD13 H 1 0.950 0.05 . 1 . . . . 27 ILE HD11 . 26854 1 311 . 1 1 27 27 ILE CA C 13 63.776 0.3 . 1 . . . . 27 ILE CA . 26854 1 312 . 1 1 27 27 ILE CB C 13 39.487 0.3 . 1 . . . . 27 ILE CB . 26854 1 313 . 1 1 27 27 ILE CG1 C 13 29.812 0.3 . 1 . . . . 27 ILE CG1 . 26854 1 314 . 1 1 27 27 ILE CG2 C 13 18.120 0.3 . 1 . . . . 27 ILE CG2 . 26854 1 315 . 1 1 27 27 ILE CD1 C 13 15.332 0.3 . 1 . . . . 27 ILE CD1 . 26854 1 316 . 1 1 27 27 ILE N N 15 116.542 0.3 . 1 . . . . 27 ILE N . 26854 1 317 . 1 1 28 28 ILE HA H 1 4.713 0.05 . 1 . . . . 28 ILE HA . 26854 1 318 . 1 1 28 28 ILE HB H 1 2.162 0.05 . 1 . . . . 28 ILE HB . 26854 1 319 . 1 1 28 28 ILE HG12 H 1 1.190 0.05 . 1 . . . . 28 ILE HG12 . 26854 1 320 . 1 1 28 28 ILE HG13 H 1 1.190 0.05 . 1 . . . . 28 ILE HG13 . 26854 1 321 . 1 1 28 28 ILE HG21 H 1 1.124 0.05 . 1 . . . . 28 ILE HG21 . 26854 1 322 . 1 1 28 28 ILE HG22 H 1 1.124 0.05 . 1 . . . . 28 ILE HG21 . 26854 1 323 . 1 1 28 28 ILE HG23 H 1 1.124 0.05 . 1 . . . . 28 ILE HG21 . 26854 1 324 . 1 1 28 28 ILE HD11 H 1 0.705 0.05 . 1 . . . . 28 ILE HD11 . 26854 1 325 . 1 1 28 28 ILE HD12 H 1 0.705 0.05 . 1 . . . . 28 ILE HD11 . 26854 1 326 . 1 1 28 28 ILE HD13 H 1 0.705 0.05 . 1 . . . . 28 ILE HD11 . 26854 1 327 . 1 1 28 28 ILE C C 13 175.049 0.3 . 1 . . . . 28 ILE C . 26854 1 328 . 1 1 28 28 ILE CA C 13 60.293 0.3 . 1 . . . . 28 ILE CA . 26854 1 329 . 1 1 28 28 ILE CB C 13 40.427 0.3 . 1 . . . . 28 ILE CB . 26854 1 330 . 1 1 28 28 ILE CG1 C 13 27.339 0.3 . 1 . . . . 28 ILE CG1 . 26854 1 331 . 1 1 28 28 ILE CG2 C 13 20.414 0.3 . 1 . . . . 28 ILE CG2 . 26854 1 332 . 1 1 28 28 ILE CD1 C 13 15.835 0.3 . 1 . . . . 28 ILE CD1 . 26854 1 333 . 1 1 29 29 PHE H H 1 7.577 0.05 . 1 . . . . 29 PHE HN . 26854 1 334 . 1 1 29 29 PHE CA C 13 58.819 0.3 . 1 . . . . 29 PHE CA . 26854 1 335 . 1 1 29 29 PHE CB C 13 41.843 0.3 . 1 . . . . 29 PHE CB . 26854 1 336 . 1 1 29 29 PHE N N 15 120.798 0.3 . 1 . . . . 29 PHE N . 26854 1 337 . 1 1 30 30 ALA H H 1 9.110 0.05 . 1 . . . . 30 ALA HN . 26854 1 338 . 1 1 30 30 ALA HA H 1 3.939 0.05 . 1 . . . . 30 ALA HA . 26854 1 339 . 1 1 30 30 ALA HB1 H 1 1.342 0.05 . 1 . . . . 30 ALA HB3 . 26854 1 340 . 1 1 30 30 ALA HB2 H 1 1.342 0.05 . 1 . . . . 30 ALA HB3 . 26854 1 341 . 1 1 30 30 ALA HB3 H 1 1.342 0.05 . 1 . . . . 30 ALA HB3 . 26854 1 342 . 1 1 30 30 ALA CA C 13 54.566 0.3 . 1 . . . . 30 ALA CA . 26854 1 343 . 1 1 30 30 ALA CB C 13 17.527 0.3 . 1 . . . . 30 ALA CB . 26854 1 344 . 1 1 30 30 ALA N N 15 122.840 0.3 . 1 . . . . 30 ALA N . 26854 1 345 . 1 1 31 31 SER H H 1 7.996 0.05 . 1 . . . . 31 SER HN . 26854 1 346 . 1 1 31 31 SER HA H 1 4.132 0.05 . 1 . . . . 31 SER HA . 26854 1 347 . 1 1 31 31 SER HB2 H 1 3.079 0.05 . 1 . . . . 31 SER HB2 . 26854 1 348 . 1 1 31 31 SER HB3 H 1 4.571 0.05 . 1 . . . . 31 SER HB3 . 26854 1 349 . 1 1 31 31 SER C C 13 174.601 0.3 . 1 . . . . 31 SER C . 26854 1 350 . 1 1 31 31 SER CA C 13 56.432 0.3 . 1 . . . . 31 SER CA . 26854 1 351 . 1 1 31 31 SER CB C 13 66.099 0.3 . 1 . . . . 31 SER CB . 26854 1 352 . 1 1 31 31 SER N N 15 116.080 0.3 . 1 . . . . 31 SER N . 26854 1 353 . 1 1 32 32 ASP H H 1 9.829 0.05 . 1 . . . . 32 ASP HN . 26854 1 354 . 1 1 32 32 ASP HA H 1 4.498 0.05 . 1 . . . . 32 ASP HA . 26854 1 355 . 1 1 32 32 ASP HB2 H 1 2.735 0.05 . 1 . . . . 32 ASP HB2 . 26854 1 356 . 1 1 32 32 ASP HB3 H 1 2.795 0.05 . 1 . . . . 32 ASP HB3 . 26854 1 357 . 1 1 32 32 ASP C C 13 180.124 0.3 . 1 . . . . 32 ASP C . 26854 1 358 . 1 1 32 32 ASP CA C 13 57.902 0.3 . 1 . . . . 32 ASP CA . 26854 1 359 . 1 1 32 32 ASP CB C 13 40.013 0.3 . 1 . . . . 32 ASP CB . 26854 1 360 . 1 1 32 32 ASP N N 15 122.938 0.3 . 1 . . . . 32 ASP N . 26854 1 361 . 1 1 33 33 SER H H 1 8.618 0.05 . 1 . . . . 33 SER HN . 26854 1 362 . 1 1 33 33 SER HA H 1 4.215 0.05 . 1 . . . . 33 SER HA . 26854 1 363 . 1 1 33 33 SER HB2 H 1 3.692 0.05 . 1 . . . . 33 SER HB2 . 26854 1 364 . 1 1 33 33 SER HB3 H 1 3.907 0.05 . 1 . . . . 33 SER HB3 . 26854 1 365 . 1 1 33 33 SER C C 13 175.787 0.3 . 1 . . . . 33 SER C . 26854 1 366 . 1 1 33 33 SER CA C 13 62.703 0.3 . 1 . . . . 33 SER CA . 26854 1 367 . 1 1 33 33 SER CB C 13 62.512 0.3 . 1 . . . . 33 SER CB . 26854 1 368 . 1 1 33 33 SER N N 15 115.116 0.3 . 1 . . . . 33 SER N . 26854 1 369 . 1 1 34 34 PHE H H 1 7.996 0.05 . 1 . . . . 34 PHE HN . 26854 1 370 . 1 1 34 34 PHE HA H 1 4.007 0.05 . 1 . . . . 34 PHE HA . 26854 1 371 . 1 1 34 34 PHE HB2 H 1 3.055 0.05 . 1 . . . . 34 PHE HB2 . 26854 1 372 . 1 1 34 34 PHE HB3 H 1 3.616 0.05 . 1 . . . . 34 PHE HB3 . 26854 1 373 . 1 1 34 34 PHE HD1 H 1 7.002 0.05 . 3 . . . . 34 PHE HD1 . 26854 1 374 . 1 1 34 34 PHE HE1 H 1 6.776 0.05 . 3 . . . . 34 PHE HE1 . 26854 1 375 . 1 1 34 34 PHE HZ H 1 6.969 0.05 . 1 . . . . 34 PHE HZ . 26854 1 376 . 1 1 34 34 PHE C C 13 178.528 0.3 . 1 . . . . 34 PHE C . 26854 1 377 . 1 1 34 34 PHE CA C 13 62.327 0.3 . 1 . . . . 34 PHE CA . 26854 1 378 . 1 1 34 34 PHE CB C 13 39.519 0.3 . 1 . . . . 34 PHE CB . 26854 1 379 . 1 1 34 34 PHE CD1 C 13 129.040 0.3 . 3 . . . . 34 PHE CD1 . 26854 1 380 . 1 1 34 34 PHE N N 15 123.840 0.3 . 1 . . . . 34 PHE N . 26854 1 381 . 1 1 35 35 LEU H H 1 8.142 0.05 . 1 . . . . 35 LEU HN . 26854 1 382 . 1 1 35 35 LEU HA H 1 3.942 0.05 . 1 . . . . 35 LEU HA . 26854 1 383 . 1 1 35 35 LEU HB2 H 1 1.908 0.05 . 1 . . . . 35 LEU HB2 . 26854 1 384 . 1 1 35 35 LEU HB3 H 1 2.076 0.05 . 1 . . . . 35 LEU HB3 . 26854 1 385 . 1 1 35 35 LEU HG H 1 2.088 0.05 . 1 . . . . 35 LEU HG . 26854 1 386 . 1 1 35 35 LEU HD11 H 1 1.027 0.05 . 2 . . . . 35 LEU HD11 . 26854 1 387 . 1 1 35 35 LEU HD12 H 1 1.027 0.05 . 2 . . . . 35 LEU HD11 . 26854 1 388 . 1 1 35 35 LEU HD13 H 1 1.027 0.05 . 2 . . . . 35 LEU HD11 . 26854 1 389 . 1 1 35 35 LEU HD21 H 1 0.782 0.05 . 2 . . . . 35 LEU HD21 . 26854 1 390 . 1 1 35 35 LEU HD22 H 1 0.782 0.05 . 2 . . . . 35 LEU HD21 . 26854 1 391 . 1 1 35 35 LEU HD23 H 1 0.782 0.05 . 2 . . . . 35 LEU HD21 . 26854 1 392 . 1 1 35 35 LEU C C 13 178.710 0.3 . 1 . . . . 35 LEU C . 26854 1 393 . 1 1 35 35 LEU CA C 13 58.428 0.3 . 1 . . . . 35 LEU CA . 26854 1 394 . 1 1 35 35 LEU CB C 13 39.495 0.3 . 1 . . . . 35 LEU CB . 26854 1 395 . 1 1 35 35 LEU CG C 13 26.590 0.3 . 1 . . . . 35 LEU CG . 26854 1 396 . 1 1 35 35 LEU CD1 C 13 26.711 0.3 . 2 . . . . 35 LEU CD1 . 26854 1 397 . 1 1 35 35 LEU CD2 C 13 22.397 0.3 . 2 . . . . 35 LEU CD2 . 26854 1 398 . 1 1 35 35 LEU N N 15 121.838 0.3 . 1 . . . . 35 LEU N . 26854 1 399 . 1 1 36 36 GLN H H 1 7.978 0.05 . 1 . . . . 36 GLN HN . 26854 1 400 . 1 1 36 36 GLN HA H 1 3.902 0.05 . 1 . . . . 36 GLN HA . 26854 1 401 . 1 1 36 36 GLN HB3 H 1 2.186 0.05 . 1 . . . . 36 GLN HB3 . 26854 1 402 . 1 1 36 36 GLN HG2 H 1 2.383 0.05 . 1 . . . . 36 GLN HG2 . 26854 1 403 . 1 1 36 36 GLN HG3 H 1 2.464 0.05 . 1 . . . . 36 GLN HG3 . 26854 1 404 . 1 1 36 36 GLN HE21 H 1 7.506 0.05 . 1 . . . . 36 GLN HE21 . 26854 1 405 . 1 1 36 36 GLN HE22 H 1 6.829 0.05 . 1 . . . . 36 GLN HE22 . 26854 1 406 . 1 1 36 36 GLN C C 13 178.510 0.3 . 1 . . . . 36 GLN C . 26854 1 407 . 1 1 36 36 GLN CA C 13 58.566 0.3 . 1 . . . . 36 GLN CA . 26854 1 408 . 1 1 36 36 GLN CB C 13 28.356 0.3 . 1 . . . . 36 GLN CB . 26854 1 409 . 1 1 36 36 GLN CG C 13 33.846 0.3 . 1 . . . . 36 GLN CG . 26854 1 410 . 1 1 36 36 GLN N N 15 118.671 0.3 . 1 . . . . 36 GLN N . 26854 1 411 . 1 1 36 36 GLN NE2 N 15 112.220 0.3 . 1 . . . . 36 GLN NE2 . 26854 1 412 . 1 1 37 37 LEU H H 1 8.227 0.05 . 1 . . . . 37 LEU HN . 26854 1 413 . 1 1 37 37 LEU HA H 1 3.838 0.05 . 1 . . . . 37 LEU HA . 26854 1 414 . 1 1 37 37 LEU HB2 H 1 1.443 0.05 . 1 . . . . 37 LEU HB2 . 26854 1 415 . 1 1 37 37 LEU HB3 H 1 1.583 0.05 . 1 . . . . 37 LEU HB3 . 26854 1 416 . 1 1 37 37 LEU HG H 1 0.504 0.05 . 1 . . . . 37 LEU HG . 26854 1 417 . 1 1 37 37 LEU HD11 H 1 0.389 0.05 . 2 . . . . 37 LEU HD11 . 26854 1 418 . 1 1 37 37 LEU HD12 H 1 0.389 0.05 . 2 . . . . 37 LEU HD11 . 26854 1 419 . 1 1 37 37 LEU HD13 H 1 0.389 0.05 . 2 . . . . 37 LEU HD11 . 26854 1 420 . 1 1 37 37 LEU HD21 H 1 0.054 0.05 . 2 . . . . 37 LEU HD21 . 26854 1 421 . 1 1 37 37 LEU HD22 H 1 0.054 0.05 . 2 . . . . 37 LEU HD21 . 26854 1 422 . 1 1 37 37 LEU HD23 H 1 0.054 0.05 . 2 . . . . 37 LEU HD21 . 26854 1 423 . 1 1 37 37 LEU C C 13 177.222 0.3 . 1 . . . . 37 LEU C . 26854 1 424 . 1 1 37 37 LEU CA C 13 57.531 0.3 . 1 . . . . 37 LEU CA . 26854 1 425 . 1 1 37 37 LEU CB C 13 41.527 0.3 . 1 . . . . 37 LEU CB . 26854 1 426 . 1 1 37 37 LEU CG C 13 27.198 0.3 . 1 . . . . 37 LEU CG . 26854 1 427 . 1 1 37 37 LEU CD1 C 13 24.227 0.3 . 2 . . . . 37 LEU CD1 . 26854 1 428 . 1 1 37 37 LEU CD2 C 13 21.447 0.3 . 2 . . . . 37 LEU CD2 . 26854 1 429 . 1 1 37 37 LEU N N 15 119.765 0.3 . 1 . . . . 37 LEU N . 26854 1 430 . 1 1 38 38 THR H H 1 7.568 0.05 . 1 . . . . 38 THR HN . 26854 1 431 . 1 1 38 38 THR HA H 1 3.648 0.05 . 1 . . . . 38 THR HA . 26854 1 432 . 1 1 38 38 THR HB H 1 4.380 0.05 . 1 . . . . 38 THR HB . 26854 1 433 . 1 1 38 38 THR HG21 H 1 0.533 0.05 . 1 . . . . 38 THR HG21 . 26854 1 434 . 1 1 38 38 THR HG22 H 1 0.533 0.05 . 1 . . . . 38 THR HG21 . 26854 1 435 . 1 1 38 38 THR HG23 H 1 0.533 0.05 . 1 . . . . 38 THR HG21 . 26854 1 436 . 1 1 38 38 THR C C 13 174.044 0.3 . 1 . . . . 38 THR C . 26854 1 437 . 1 1 38 38 THR CA C 13 64.355 0.3 . 1 . . . . 38 THR CA . 26854 1 438 . 1 1 38 38 THR CB C 13 69.454 0.3 . 1 . . . . 38 THR CB . 26854 1 439 . 1 1 38 38 THR CG2 C 13 21.579 0.3 . 1 . . . . 38 THR CG2 . 26854 1 440 . 1 1 38 38 THR N N 15 128.849 0.3 . 1 . . . . 38 THR N . 26854 1 441 . 1 1 39 39 GLU H H 1 7.803 0.05 . 1 . . . . 39 GLU HN . 26854 1 442 . 1 1 39 39 GLU HA H 1 3.849 0.05 . 1 . . . . 39 GLU HA . 26854 1 443 . 1 1 39 39 GLU HB3 H 1 2.605 0.05 . 1 . . . . 39 GLU HB3 . 26854 1 444 . 1 1 39 39 GLU HG2 H 1 2.071 0.05 . 1 . . . . 39 GLU HG2 . 26854 1 445 . 1 1 39 39 GLU HG3 H 1 2.242 0.05 . 1 . . . . 39 GLU HG3 . 26854 1 446 . 1 1 39 39 GLU C C 13 174.941 0.3 . 1 . . . . 39 GLU C . 26854 1 447 . 1 1 39 39 GLU CA C 13 57.687 0.3 . 1 . . . . 39 GLU CA . 26854 1 448 . 1 1 39 39 GLU CB C 13 27.420 0.3 . 1 . . . . 39 GLU CB . 26854 1 449 . 1 1 39 39 GLU CG C 13 34.979 0.3 . 1 . . . . 39 GLU CG . 26854 1 450 . 1 1 39 39 GLU N N 15 112.657 0.3 . 1 . . . . 39 GLU N . 26854 1 451 . 1 1 40 40 TYR H H 1 7.166 0.05 . 1 . . . . 40 TYR HN . 26854 1 452 . 1 1 40 40 TYR HA H 1 4.463 0.05 . 1 . . . . 40 TYR HA . 26854 1 453 . 1 1 40 40 TYR HB2 H 1 2.395 0.05 . 1 . . . . 40 TYR HB2 . 26854 1 454 . 1 1 40 40 TYR HB3 H 1 3.053 0.05 . 1 . . . . 40 TYR HB3 . 26854 1 455 . 1 1 40 40 TYR HD1 H 1 7.023 0.05 . 3 . . . . 40 TYR HD1 . 26854 1 456 . 1 1 40 40 TYR HE1 H 1 6.687 0.05 . 3 . . . . 40 TYR HE1 . 26854 1 457 . 1 1 40 40 TYR C C 13 174.909 0.3 . 1 . . . . 40 TYR C . 26854 1 458 . 1 1 40 40 TYR CA C 13 58.794 0.3 . 1 . . . . 40 TYR CA . 26854 1 459 . 1 1 40 40 TYR CB C 13 41.740 0.3 . 1 . . . . 40 TYR CB . 26854 1 460 . 1 1 40 40 TYR CD1 C 13 133.130 0.3 . 3 . . . . 40 TYR CD1 . 26854 1 461 . 1 1 40 40 TYR CE1 C 13 116.900 0.3 . 3 . . . . 40 TYR CE1 . 26854 1 462 . 1 1 40 40 TYR N N 15 117.471 0.3 . 1 . . . . 40 TYR N . 26854 1 463 . 1 1 41 41 SER H H 1 8.925 0.05 . 1 . . . . 41 SER HN . 26854 1 464 . 1 1 41 41 SER HA H 1 4.702 0.05 . 1 . . . . 41 SER HA . 26854 1 465 . 1 1 41 41 SER HB2 H 1 3.906 0.05 . 1 . . . . 41 SER HB2 . 26854 1 466 . 1 1 41 41 SER HB3 H 1 4.122 0.05 . 1 . . . . 41 SER HB3 . 26854 1 467 . 1 1 41 41 SER C C 13 175.390 0.3 . 1 . . . . 41 SER C . 26854 1 468 . 1 1 41 41 SER CA C 13 56.380 0.3 . 1 . . . . 41 SER CA . 26854 1 469 . 1 1 41 41 SER CB C 13 65.801 0.3 . 1 . . . . 41 SER CB . 26854 1 470 . 1 1 41 41 SER N N 15 114.496 0.3 . 1 . . . . 41 SER N . 26854 1 471 . 1 1 42 42 ARG HA H 1 3.447 0.05 . 1 . . . . 42 ARG HA . 26854 1 472 . 1 1 42 42 ARG HB3 H 1 1.209 0.05 . 1 . . . . 42 ARG HB3 . 26854 1 473 . 1 1 42 42 ARG C C 13 177.785 0.3 . 1 . . . . 42 ARG C . 26854 1 474 . 1 1 42 42 ARG CA C 13 59.990 0.3 . 1 . . . . 42 ARG CA . 26854 1 475 . 1 1 43 43 GLU H H 1 8.826 0.05 . 1 . . . . 43 GLU HN . 26854 1 476 . 1 1 43 43 GLU HA H 1 3.870 0.05 . 1 . . . . 43 GLU HA . 26854 1 477 . 1 1 43 43 GLU HB3 H 1 1.962 0.05 . 1 . . . . 43 GLU HB3 . 26854 1 478 . 1 1 43 43 GLU HG2 H 1 2.191 0.05 . 1 . . . . 43 GLU HG2 . 26854 1 479 . 1 1 43 43 GLU HG3 H 1 2.352 0.05 . 1 . . . . 43 GLU HG3 . 26854 1 480 . 1 1 43 43 GLU C C 13 178.334 0.3 . 1 . . . . 43 GLU C . 26854 1 481 . 1 1 43 43 GLU CA C 13 59.348 0.3 . 1 . . . . 43 GLU CA . 26854 1 482 . 1 1 43 43 GLU CB C 13 28.567 0.3 . 1 . . . . 43 GLU CB . 26854 1 483 . 1 1 43 43 GLU CG C 13 36.677 0.3 . 1 . . . . 43 GLU CG . 26854 1 484 . 1 1 43 43 GLU N N 15 115.427 0.3 . 1 . . . . 43 GLU N . 26854 1 485 . 1 1 44 44 GLU H H 1 7.477 0.05 . 1 . . . . 44 GLU HN . 26854 1 486 . 1 1 44 44 GLU HA H 1 4.093 0.05 . 1 . . . . 44 GLU HA . 26854 1 487 . 1 1 44 44 GLU HB3 H 1 1.984 0.05 . 1 . . . . 44 GLU HB3 . 26854 1 488 . 1 1 44 44 GLU HG2 H 1 2.286 0.05 . 1 . . . . 44 GLU HG2 . 26854 1 489 . 1 1 44 44 GLU HG3 H 1 2.446 0.05 . 1 . . . . 44 GLU HG3 . 26854 1 490 . 1 1 44 44 GLU C C 13 177.205 0.3 . 1 . . . . 44 GLU C . 26854 1 491 . 1 1 44 44 GLU CA C 13 57.502 0.3 . 1 . . . . 44 GLU CA . 26854 1 492 . 1 1 44 44 GLU CB C 13 31.712 0.3 . 1 . . . . 44 GLU CB . 26854 1 493 . 1 1 44 44 GLU CG C 13 37.972 0.3 . 1 . . . . 44 GLU CG . 26854 1 494 . 1 1 44 44 GLU N N 15 116.044 0.3 . 1 . . . . 44 GLU N . 26854 1 495 . 1 1 45 45 ILE H H 1 7.055 0.05 . 1 . . . . 45 ILE HN . 26854 1 496 . 1 1 45 45 ILE HA H 1 4.090 0.05 . 1 . . . . 45 ILE HA . 26854 1 497 . 1 1 45 45 ILE HB H 1 1.891 0.05 . 1 . . . . 45 ILE HB . 26854 1 498 . 1 1 45 45 ILE HG12 H 1 1.258 0.05 . 1 . . . . 45 ILE HG12 . 26854 1 499 . 1 1 45 45 ILE HG13 H 1 1.356 0.05 . 1 . . . . 45 ILE HG13 . 26854 1 500 . 1 1 45 45 ILE HG21 H 1 -0.009 0.05 . 1 . . . . 45 ILE HG21 . 26854 1 501 . 1 1 45 45 ILE HG22 H 1 -0.009 0.05 . 1 . . . . 45 ILE HG21 . 26854 1 502 . 1 1 45 45 ILE HG23 H 1 -0.009 0.05 . 1 . . . . 45 ILE HG21 . 26854 1 503 . 1 1 45 45 ILE HD11 H 1 0.895 0.05 . 1 . . . . 45 ILE HD11 . 26854 1 504 . 1 1 45 45 ILE HD12 H 1 0.895 0.05 . 1 . . . . 45 ILE HD11 . 26854 1 505 . 1 1 45 45 ILE HD13 H 1 0.895 0.05 . 1 . . . . 45 ILE HD11 . 26854 1 506 . 1 1 45 45 ILE C C 13 174.652 0.3 . 1 . . . . 45 ILE C . 26854 1 507 . 1 1 45 45 ILE CA C 13 60.975 0.3 . 1 . . . . 45 ILE CA . 26854 1 508 . 1 1 45 45 ILE CB C 13 39.355 0.3 . 1 . . . . 45 ILE CB . 26854 1 509 . 1 1 45 45 ILE CG1 C 13 25.324 0.3 . 1 . . . . 45 ILE CG1 . 26854 1 510 . 1 1 45 45 ILE CG2 C 13 19.701 0.3 . 1 . . . . 45 ILE CG2 . 26854 1 511 . 1 1 45 45 ILE CD1 C 13 15.839 0.3 . 1 . . . . 45 ILE CD1 . 26854 1 512 . 1 1 45 45 ILE N N 15 109.202 0.3 . 1 . . . . 45 ILE N . 26854 1 513 . 1 1 46 46 LEU H H 1 7.705 0.05 . 1 . . . . 46 LEU HN . 26854 1 514 . 1 1 46 46 LEU HA H 1 3.949 0.05 . 1 . . . . 46 LEU HA . 26854 1 515 . 1 1 46 46 LEU HB2 H 1 1.569 0.05 . 1 . . . . 46 LEU HB2 . 26854 1 516 . 1 1 46 46 LEU HB3 H 1 1.673 0.05 . 1 . . . . 46 LEU HB3 . 26854 1 517 . 1 1 46 46 LEU C C 13 178.636 0.3 . 1 . . . . 46 LEU C . 26854 1 518 . 1 1 46 46 LEU CA C 13 56.914 0.3 . 1 . . . . 46 LEU CA . 26854 1 519 . 1 1 46 46 LEU CB C 13 41.311 0.3 . 1 . . . . 46 LEU CB . 26854 1 520 . 1 1 46 46 LEU N N 15 122.597 0.3 . 1 . . . . 46 LEU N . 26854 1 521 . 1 1 47 47 GLY H H 1 9.167 0.05 . 1 . . . . 47 GLY HN . 26854 1 522 . 1 1 47 47 GLY HA2 H 1 3.568 0.05 . 1 . . . . 47 GLY HA2 . 26854 1 523 . 1 1 47 47 GLY HA3 H 1 4.269 0.05 . 1 . . . . 47 GLY HA3 . 26854 1 524 . 1 1 47 47 GLY C C 13 173.867 0.3 . 1 . . . . 47 GLY C . 26854 1 525 . 1 1 47 47 GLY CA C 13 45.941 0.3 . 1 . . . . 47 GLY CA . 26854 1 526 . 1 1 47 47 GLY N N 15 111.948 0.3 . 1 . . . . 47 GLY N . 26854 1 527 . 1 1 48 48 ARG H H 1 8.000 0.05 . 1 . . . . 48 ARG HN . 26854 1 528 . 1 1 48 48 ARG HA H 1 4.701 0.05 . 1 . . . . 48 ARG HA . 26854 1 529 . 1 1 48 48 ARG HB2 H 1 1.847 0.05 . 1 . . . . 48 ARG HB2 . 26854 1 530 . 1 1 48 48 ARG HB3 H 1 1.943 0.05 . 1 . . . . 48 ARG HB3 . 26854 1 531 . 1 1 48 48 ARG HG3 H 1 1.477 0.05 . 1 . . . . 48 ARG HG3 . 26854 1 532 . 1 1 48 48 ARG HD2 H 1 2.780 0.05 . 1 . . . . 48 ARG HD2 . 26854 1 533 . 1 1 48 48 ARG HD3 H 1 3.000 0.05 . 1 . . . . 48 ARG HD3 . 26854 1 534 . 1 1 48 48 ARG HE H 1 6.942 0.05 . 1 . . . . 48 ARG HE . 26854 1 535 . 1 1 48 48 ARG C C 13 175.380 0.3 . 1 . . . . 48 ARG C . 26854 1 536 . 1 1 48 48 ARG CA C 13 54.624 0.3 . 1 . . . . 48 ARG CA . 26854 1 537 . 1 1 48 48 ARG CB C 13 32.681 0.3 . 1 . . . . 48 ARG CB . 26854 1 538 . 1 1 48 48 ARG CG C 13 26.907 0.3 . 1 . . . . 48 ARG CG . 26854 1 539 . 1 1 48 48 ARG CD C 13 44.028 0.3 . 1 . . . . 48 ARG CD . 26854 1 540 . 1 1 48 48 ARG N N 15 119.235 0.3 . 1 . . . . 48 ARG N . 26854 1 541 . 1 1 48 48 ARG NE N 15 85.018 0.3 . 1 . . . . 48 ARG NE . 26854 1 542 . 1 1 49 49 ASN H H 1 8.747 0.05 . 1 . . . . 49 ASN HN . 26854 1 543 . 1 1 49 49 ASN HA H 1 4.389 0.05 . 1 . . . . 49 ASN HA . 26854 1 544 . 1 1 49 49 ASN HB2 H 1 2.439 0.05 . 1 . . . . 49 ASN HB2 . 26854 1 545 . 1 1 49 49 ASN HB3 H 1 2.993 0.05 . 1 . . . . 49 ASN HB3 . 26854 1 546 . 1 1 49 49 ASN C C 13 176.136 0.3 . 1 . . . . 49 ASN C . 26854 1 547 . 1 1 49 49 ASN CA C 13 54.023 0.3 . 1 . . . . 49 ASN CA . 26854 1 548 . 1 1 49 49 ASN CB C 13 41.099 0.3 . 1 . . . . 49 ASN CB . 26854 1 549 . 1 1 49 49 ASN N N 15 121.189 0.3 . 1 . . . . 49 ASN N . 26854 1 550 . 1 1 50 50 CYS H H 1 7.985 0.05 . 1 . . . . 50 CYS HN . 26854 1 551 . 1 1 50 50 CYS HA H 1 3.198 0.05 . 1 . . . . 50 CYS HA . 26854 1 552 . 1 1 50 50 CYS HB2 H 1 1.170 0.05 . 1 . . . . 50 CYS HB2 . 26854 1 553 . 1 1 50 50 CYS HB3 H 1 1.289 0.05 . 1 . . . . 50 CYS HB3 . 26854 1 554 . 1 1 50 50 CYS C C 13 173.644 0.3 . 1 . . . . 50 CYS C . 26854 1 555 . 1 1 50 50 CYS CA C 13 61.295 0.3 . 1 . . . . 50 CYS CA . 26854 1 556 . 1 1 50 50 CYS CB C 13 25.501 0.3 . 1 . . . . 50 CYS CB . 26854 1 557 . 1 1 50 50 CYS N N 15 121.476 0.3 . 1 . . . . 50 CYS N . 26854 1 558 . 1 1 51 51 ARG H H 1 8.656 0.05 . 1 . . . . 51 ARG HN . 26854 1 559 . 1 1 51 51 ARG HA H 1 3.983 0.05 . 1 . . . . 51 ARG HA . 26854 1 560 . 1 1 51 51 ARG HB2 H 1 1.714 0.05 . 1 . . . . 51 ARG HB2 . 26854 1 561 . 1 1 51 51 ARG HB3 H 1 1.932 0.05 . 1 . . . . 51 ARG HB3 . 26854 1 562 . 1 1 51 51 ARG HG2 H 1 1.026 0.05 . 1 . . . . 51 ARG HG2 . 26854 1 563 . 1 1 51 51 ARG HG3 H 1 1.455 0.05 . 1 . . . . 51 ARG HG3 . 26854 1 564 . 1 1 51 51 ARG HD2 H 1 2.883 0.05 . 1 . . . . 51 ARG HD2 . 26854 1 565 . 1 1 51 51 ARG HD3 H 1 3.378 0.05 . 1 . . . . 51 ARG HD3 . 26854 1 566 . 1 1 51 51 ARG HE H 1 8.923 0.05 . 1 . . . . 51 ARG HE . 26854 1 567 . 1 1 51 51 ARG C C 13 176.670 0.3 . 1 . . . . 51 ARG C . 26854 1 568 . 1 1 51 51 ARG CA C 13 58.438 0.3 . 1 . . . . 51 ARG CA . 26854 1 569 . 1 1 51 51 ARG CB C 13 29.692 0.3 . 1 . . . . 51 ARG CB . 26854 1 570 . 1 1 51 51 ARG CG C 13 25.649 0.3 . 1 . . . . 51 ARG CG . 26854 1 571 . 1 1 51 51 ARG CD C 13 42.814 0.3 . 1 . . . . 51 ARG CD . 26854 1 572 . 1 1 51 51 ARG N N 15 118.103 0.3 . 1 . . . . 51 ARG N . 26854 1 573 . 1 1 51 51 ARG NE N 15 81.516 0.3 . 1 . . . . 51 ARG NE . 26854 1 574 . 1 1 52 52 PHE H H 1 6.722 0.05 . 1 . . . . 52 PHE HN . 26854 1 575 . 1 1 52 52 PHE HA H 1 4.527 0.05 . 1 . . . . 52 PHE HA . 26854 1 576 . 1 1 52 52 PHE HB2 H 1 2.954 0.05 . 1 . . . . 52 PHE HB2 . 26854 1 577 . 1 1 52 52 PHE HB3 H 1 3.354 0.05 . 1 . . . . 52 PHE HB3 . 26854 1 578 . 1 1 52 52 PHE HD1 H 1 7.099 0.05 . 3 . . . . 52 PHE HD1 . 26854 1 579 . 1 1 52 52 PHE HE1 H 1 6.781 0.05 . 3 . . . . 52 PHE HE1 . 26854 1 580 . 1 1 52 52 PHE HZ H 1 6.780 0.05 . 1 . . . . 52 PHE HZ . 26854 1 581 . 1 1 52 52 PHE C C 13 176.080 0.3 . 1 . . . . 52 PHE C . 26854 1 582 . 1 1 52 52 PHE CA C 13 58.742 0.3 . 1 . . . . 52 PHE CA . 26854 1 583 . 1 1 52 52 PHE CB C 13 37.608 0.3 . 1 . . . . 52 PHE CB . 26854 1 584 . 1 1 52 52 PHE CD1 C 13 132.463 0.3 . 3 . . . . 52 PHE CD1 . 26854 1 585 . 1 1 52 52 PHE CE1 C 13 130.700 0.3 . 3 . . . . 52 PHE CE1 . 26854 1 586 . 1 1 52 52 PHE N N 15 118.559 0.3 . 1 . . . . 52 PHE N . 26854 1 587 . 1 1 53 53 LEU H H 1 6.938 0.05 . 1 . . . . 53 LEU HN . 26854 1 588 . 1 1 53 53 LEU HA H 1 4.401 0.05 . 1 . . . . 53 LEU HA . 26854 1 589 . 1 1 53 53 LEU HB2 H 1 1.310 0.05 . 1 . . . . 53 LEU HB2 . 26854 1 590 . 1 1 53 53 LEU HB3 H 1 1.336 0.05 . 1 . . . . 53 LEU HB3 . 26854 1 591 . 1 1 53 53 LEU HG H 1 1.015 0.05 . 1 . . . . 53 LEU HG . 26854 1 592 . 1 1 53 53 LEU HD11 H 1 1.076 0.05 . 2 . . . . 53 LEU HD11 . 26854 1 593 . 1 1 53 53 LEU HD12 H 1 1.076 0.05 . 2 . . . . 53 LEU HD11 . 26854 1 594 . 1 1 53 53 LEU HD13 H 1 1.076 0.05 . 2 . . . . 53 LEU HD11 . 26854 1 595 . 1 1 53 53 LEU HD21 H 1 0.722 0.05 . 2 . . . . 53 LEU HD21 . 26854 1 596 . 1 1 53 53 LEU HD22 H 1 0.722 0.05 . 2 . . . . 53 LEU HD21 . 26854 1 597 . 1 1 53 53 LEU HD23 H 1 0.722 0.05 . 2 . . . . 53 LEU HD21 . 26854 1 598 . 1 1 53 53 LEU C C 13 176.405 0.3 . 1 . . . . 53 LEU C . 26854 1 599 . 1 1 53 53 LEU CA C 13 55.906 0.3 . 1 . . . . 53 LEU CA . 26854 1 600 . 1 1 53 53 LEU CB C 13 43.107 0.3 . 1 . . . . 53 LEU CB . 26854 1 601 . 1 1 53 53 LEU CG C 13 26.573 0.3 . 1 . . . . 53 LEU CG . 26854 1 602 . 1 1 53 53 LEU CD1 C 13 23.471 0.3 . 2 . . . . 53 LEU CD1 . 26854 1 603 . 1 1 53 53 LEU CD2 C 13 25.894 0.3 . 2 . . . . 53 LEU CD2 . 26854 1 604 . 1 1 53 53 LEU N N 15 121.878 0.3 . 1 . . . . 53 LEU N . 26854 1 605 . 1 1 54 54 GLN H H 1 7.505 0.05 . 1 . . . . 54 GLN HN . 26854 1 606 . 1 1 54 54 GLN HA H 1 4.317 0.05 . 1 . . . . 54 GLN HA . 26854 1 607 . 1 1 54 54 GLN HB3 H 1 2.060 0.05 . 1 . . . . 54 GLN HB3 . 26854 1 608 . 1 1 54 54 GLN HG3 H 1 2.196 0.05 . 1 . . . . 54 GLN HG3 . 26854 1 609 . 1 1 54 54 GLN HE21 H 1 8.400 0.05 . 1 . . . . 54 GLN HE21 . 26854 1 610 . 1 1 54 54 GLN HE22 H 1 7.964 0.05 . 1 . . . . 54 GLN HE22 . 26854 1 611 . 1 1 54 54 GLN C C 13 175.224 0.3 . 1 . . . . 54 GLN C . 26854 1 612 . 1 1 54 54 GLN CA C 13 55.356 0.3 . 1 . . . . 54 GLN CA . 26854 1 613 . 1 1 54 54 GLN CB C 13 27.802 0.3 . 1 . . . . 54 GLN CB . 26854 1 614 . 1 1 54 54 GLN CG C 13 34.095 0.3 . 1 . . . . 54 GLN CG . 26854 1 615 . 1 1 54 54 GLN N N 15 117.231 0.3 . 1 . . . . 54 GLN N . 26854 1 616 . 1 1 54 54 GLN NE2 N 15 111.172 0.3 . 1 . . . . 54 GLN NE2 . 26854 1 617 . 1 1 55 55 GLY H H 1 8.485 0.05 . 1 . . . . 55 GLY HN . 26854 1 618 . 1 1 55 55 GLY HA2 H 1 3.073 0.05 . 1 . . . . 55 GLY HA2 . 26854 1 619 . 1 1 55 55 GLY HA3 H 1 4.089 0.05 . 1 . . . . 55 GLY HA3 . 26854 1 620 . 1 1 55 55 GLY CA C 13 46.098 0.3 . 1 . . . . 55 GLY CA . 26854 1 621 . 1 1 55 55 GLY N N 15 107.545 0.3 . 1 . . . . 55 GLY N . 26854 1 622 . 1 1 56 56 PRO HA H 1 4.219 0.05 . 1 . . . . 56 PRO HA . 26854 1 623 . 1 1 56 56 PRO HB2 H 1 1.911 0.05 . 1 . . . . 56 PRO HB2 . 26854 1 624 . 1 1 56 56 PRO HB3 H 1 2.404 0.05 . 1 . . . . 56 PRO HB3 . 26854 1 625 . 1 1 56 56 PRO HG2 H 1 1.904 0.05 . 1 . . . . 56 PRO HG2 . 26854 1 626 . 1 1 56 56 PRO HG3 H 1 2.055 0.05 . 1 . . . . 56 PRO HG3 . 26854 1 627 . 1 1 56 56 PRO HD2 H 1 2.869 0.05 . 1 . . . . 56 PRO HD2 . 26854 1 628 . 1 1 56 56 PRO HD3 H 1 3.230 0.05 . 1 . . . . 56 PRO HD3 . 26854 1 629 . 1 1 56 56 PRO C C 13 178.294 0.3 . 1 . . . . 56 PRO C . 26854 1 630 . 1 1 56 56 PRO CA C 13 66.345 0.3 . 1 . . . . 56 PRO CA . 26854 1 631 . 1 1 56 56 PRO CB C 13 32.736 0.3 . 1 . . . . 56 PRO CB . 26854 1 632 . 1 1 56 56 PRO CG C 13 26.969 0.3 . 1 . . . . 56 PRO CG . 26854 1 633 . 1 1 56 56 PRO CD C 13 49.620 0.3 . 1 . . . . 56 PRO CD . 26854 1 634 . 1 1 57 57 GLU H H 1 8.249 0.05 . 1 . . . . 57 GLU HN . 26854 1 635 . 1 1 57 57 GLU HA H 1 4.420 0.05 . 1 . . . . 57 GLU HA . 26854 1 636 . 1 1 57 57 GLU HB2 H 1 1.776 0.05 . 1 . . . . 57 GLU HB2 . 26854 1 637 . 1 1 57 57 GLU HB3 H 1 2.343 0.05 . 1 . . . . 57 GLU HB3 . 26854 1 638 . 1 1 57 57 GLU HG3 H 1 2.247 0.05 . 1 . . . . 57 GLU HG3 . 26854 1 639 . 1 1 57 57 GLU C C 13 175.946 0.3 . 1 . . . . 57 GLU C . 26854 1 640 . 1 1 57 57 GLU CA C 13 56.213 0.3 . 1 . . . . 57 GLU CA . 26854 1 641 . 1 1 57 57 GLU CB C 13 30.290 0.3 . 1 . . . . 57 GLU CB . 26854 1 642 . 1 1 57 57 GLU CG C 13 37.636 0.3 . 1 . . . . 57 GLU CG . 26854 1 643 . 1 1 57 57 GLU N N 15 112.242 0.3 . 1 . . . . 57 GLU N . 26854 1 644 . 1 1 58 58 THR H H 1 8.070 0.05 . 1 . . . . 58 THR HN . 26854 1 645 . 1 1 58 58 THR HA H 1 3.753 0.05 . 1 . . . . 58 THR HA . 26854 1 646 . 1 1 58 58 THR HB H 1 4.158 0.05 . 1 . . . . 58 THR HB . 26854 1 647 . 1 1 58 58 THR HG21 H 1 1.229 0.05 . 1 . . . . 58 THR HG21 . 26854 1 648 . 1 1 58 58 THR HG22 H 1 1.229 0.05 . 1 . . . . 58 THR HG21 . 26854 1 649 . 1 1 58 58 THR HG23 H 1 1.229 0.05 . 1 . . . . 58 THR HG21 . 26854 1 650 . 1 1 58 58 THR C C 13 174.067 0.3 . 1 . . . . 58 THR C . 26854 1 651 . 1 1 58 58 THR CA C 13 65.201 0.3 . 1 . . . . 58 THR CA . 26854 1 652 . 1 1 58 58 THR CB C 13 68.787 0.3 . 1 . . . . 58 THR CB . 26854 1 653 . 1 1 58 58 THR CG2 C 13 23.922 0.3 . 1 . . . . 58 THR CG2 . 26854 1 654 . 1 1 58 58 THR N N 15 118.217 0.3 . 1 . . . . 58 THR N . 26854 1 655 . 1 1 59 59 ASP H H 1 8.899 0.05 . 1 . . . . 59 ASP HN . 26854 1 656 . 1 1 59 59 ASP HA H 1 4.593 0.05 . 1 . . . . 59 ASP HA . 26854 1 657 . 1 1 59 59 ASP HB2 H 1 2.834 0.05 . 1 . . . . 59 ASP HB2 . 26854 1 658 . 1 1 59 59 ASP HB3 H 1 3.078 0.05 . 1 . . . . 59 ASP HB3 . 26854 1 659 . 1 1 59 59 ASP C C 13 176.997 0.3 . 1 . . . . 59 ASP C . 26854 1 660 . 1 1 59 59 ASP CA C 13 54.829 0.3 . 1 . . . . 59 ASP CA . 26854 1 661 . 1 1 59 59 ASP CB C 13 41.995 0.3 . 1 . . . . 59 ASP CB . 26854 1 662 . 1 1 59 59 ASP N N 15 129.381 0.3 . 1 . . . . 59 ASP N . 26854 1 663 . 1 1 60 60 ARG H H 1 9.172 0.05 . 1 . . . . 60 ARG HN . 26854 1 664 . 1 1 60 60 ARG HA H 1 3.853 0.05 . 1 . . . . 60 ARG HA . 26854 1 665 . 1 1 60 60 ARG HB3 H 1 1.972 0.05 . 1 . . . . 60 ARG HB3 . 26854 1 666 . 1 1 60 60 ARG HG3 H 1 1.908 0.05 . 1 . . . . 60 ARG HG3 . 26854 1 667 . 1 1 60 60 ARG HD2 H 1 3.075 0.05 . 1 . . . . 60 ARG HD2 . 26854 1 668 . 1 1 60 60 ARG HD3 H 1 3.251 0.05 . 1 . . . . 60 ARG HD3 . 26854 1 669 . 1 1 60 60 ARG HE H 1 7.203 0.05 . 1 . . . . 60 ARG HE . 26854 1 670 . 1 1 60 60 ARG C C 13 179.448 0.3 . 1 . . . . 60 ARG C . 26854 1 671 . 1 1 60 60 ARG CA C 13 57.626 0.3 . 1 . . . . 60 ARG CA . 26854 1 672 . 1 1 60 60 ARG CB C 13 28.290 0.3 . 1 . . . . 60 ARG CB . 26854 1 673 . 1 1 60 60 ARG CG C 13 25.701 0.3 . 1 . . . . 60 ARG CG . 26854 1 674 . 1 1 60 60 ARG CD C 13 41.843 0.3 . 1 . . . . 60 ARG CD . 26854 1 675 . 1 1 60 60 ARG N N 15 128.367 0.3 . 1 . . . . 60 ARG N . 26854 1 676 . 1 1 60 60 ARG NE N 15 83.177 0.3 . 1 . . . . 60 ARG NE . 26854 1 677 . 1 1 61 61 ALA H H 1 8.786 0.05 . 1 . . . . 61 ALA HN . 26854 1 678 . 1 1 61 61 ALA HA H 1 4.222 0.05 . 1 . . . . 61 ALA HA . 26854 1 679 . 1 1 61 61 ALA HB1 H 1 1.571 0.05 . 1 . . . . 61 ALA HB3 . 26854 1 680 . 1 1 61 61 ALA HB2 H 1 1.571 0.05 . 1 . . . . 61 ALA HB3 . 26854 1 681 . 1 1 61 61 ALA HB3 H 1 1.571 0.05 . 1 . . . . 61 ALA HB3 . 26854 1 682 . 1 1 61 61 ALA C C 13 181.016 0.3 . 1 . . . . 61 ALA C . 26854 1 683 . 1 1 61 61 ALA CA C 13 55.139 0.3 . 1 . . . . 61 ALA CA . 26854 1 684 . 1 1 61 61 ALA CB C 13 17.700 0.3 . 1 . . . . 61 ALA CB . 26854 1 685 . 1 1 61 61 ALA N N 15 123.797 0.3 . 1 . . . . 61 ALA N . 26854 1 686 . 1 1 62 62 THR H H 1 7.797 0.05 . 1 . . . . 62 THR HN . 26854 1 687 . 1 1 62 62 THR HA H 1 3.908 0.05 . 1 . . . . 62 THR HA . 26854 1 688 . 1 1 62 62 THR HB H 1 4.376 0.05 . 1 . . . . 62 THR HB . 26854 1 689 . 1 1 62 62 THR HG21 H 1 1.372 0.05 . 1 . . . . 62 THR HG21 . 26854 1 690 . 1 1 62 62 THR HG22 H 1 1.372 0.05 . 1 . . . . 62 THR HG21 . 26854 1 691 . 1 1 62 62 THR HG23 H 1 1.372 0.05 . 1 . . . . 62 THR HG21 . 26854 1 692 . 1 1 62 62 THR C C 13 176.175 0.3 . 1 . . . . 62 THR C . 26854 1 693 . 1 1 62 62 THR CA C 13 66.978 0.3 . 1 . . . . 62 THR CA . 26854 1 694 . 1 1 62 62 THR CB C 13 67.469 0.3 . 1 . . . . 62 THR CB . 26854 1 695 . 1 1 62 62 THR CG2 C 13 23.787 0.3 . 1 . . . . 62 THR CG2 . 26854 1 696 . 1 1 62 62 THR N N 15 117.797 0.3 . 1 . . . . 62 THR N . 26854 1 697 . 1 1 63 63 VAL H H 1 7.475 0.05 . 1 . . . . 63 VAL HN . 26854 1 698 . 1 1 63 63 VAL HA H 1 3.283 0.05 . 1 . . . . 63 VAL HA . 26854 1 699 . 1 1 63 63 VAL HB H 1 2.060 0.05 . 1 . . . . 63 VAL HB . 26854 1 700 . 1 1 63 63 VAL HG11 H 1 1.103 0.05 . 2 . . . . 63 VAL HG13 . 26854 1 701 . 1 1 63 63 VAL HG12 H 1 1.103 0.05 . 2 . . . . 63 VAL HG13 . 26854 1 702 . 1 1 63 63 VAL HG13 H 1 1.103 0.05 . 2 . . . . 63 VAL HG13 . 26854 1 703 . 1 1 63 63 VAL HG21 H 1 0.858 0.05 . 2 . . . . 63 VAL HG21 . 26854 1 704 . 1 1 63 63 VAL HG22 H 1 0.858 0.05 . 2 . . . . 63 VAL HG21 . 26854 1 705 . 1 1 63 63 VAL HG23 H 1 0.858 0.05 . 2 . . . . 63 VAL HG21 . 26854 1 706 . 1 1 63 63 VAL C C 13 177.874 0.3 . 1 . . . . 63 VAL C . 26854 1 707 . 1 1 63 63 VAL CA C 13 67.703 0.3 . 1 . . . . 63 VAL CA . 26854 1 708 . 1 1 63 63 VAL CB C 13 31.521 0.3 . 1 . . . . 63 VAL CB . 26854 1 709 . 1 1 63 63 VAL CG1 C 13 22.672 0.3 . 2 . . . . 63 VAL CG1 . 26854 1 710 . 1 1 63 63 VAL CG2 C 13 23.355 0.3 . 2 . . . . 63 VAL CG2 . 26854 1 711 . 1 1 63 63 VAL N N 15 121.817 0.3 . 1 . . . . 63 VAL N . 26854 1 712 . 1 1 64 64 ARG H H 1 7.818 0.05 . 1 . . . . 64 ARG HN . 26854 1 713 . 1 1 64 64 ARG HA H 1 4.214 0.05 . 1 . . . . 64 ARG HA . 26854 1 714 . 1 1 64 64 ARG HB3 H 1 1.966 0.05 . 1 . . . . 64 ARG HB3 . 26854 1 715 . 1 1 64 64 ARG HG3 H 1 1.709 0.05 . 1 . . . . 64 ARG HG3 . 26854 1 716 . 1 1 64 64 ARG HD3 H 1 3.252 0.05 . 1 . . . . 64 ARG HD3 . 26854 1 717 . 1 1 64 64 ARG HE H 1 7.708 0.05 . 1 . . . . 64 ARG HE . 26854 1 718 . 1 1 64 64 ARG C C 13 177.530 0.3 . 1 . . . . 64 ARG C . 26854 1 719 . 1 1 64 64 ARG CA C 13 58.415 0.3 . 1 . . . . 64 ARG CA . 26854 1 720 . 1 1 64 64 ARG CB C 13 29.031 0.3 . 1 . . . . 64 ARG CB . 26854 1 721 . 1 1 64 64 ARG CG C 13 26.988 0.3 . 1 . . . . 64 ARG CG . 26854 1 722 . 1 1 64 64 ARG CD C 13 42.814 0.3 . 1 . . . . 64 ARG CD . 26854 1 723 . 1 1 64 64 ARG N N 15 119.817 0.3 . 1 . . . . 64 ARG N . 26854 1 724 . 1 1 64 64 ARG NE N 15 85.314 0.3 . 1 . . . . 64 ARG NE . 26854 1 725 . 1 1 65 65 LYS H H 1 7.407 0.05 . 1 . . . . 65 LYS HN . 26854 1 726 . 1 1 65 65 LYS HA H 1 4.151 0.05 . 1 . . . . 65 LYS HA . 26854 1 727 . 1 1 65 65 LYS HB2 H 1 1.874 0.05 . 1 . . . . 65 LYS HB2 . 26854 1 728 . 1 1 65 65 LYS HB3 H 1 2.167 0.05 . 1 . . . . 65 LYS HB3 . 26854 1 729 . 1 1 65 65 LYS HG2 H 1 1.479 0.05 . 1 . . . . 65 LYS HG2 . 26854 1 730 . 1 1 65 65 LYS HG3 H 1 1.760 0.05 . 1 . . . . 65 LYS HG3 . 26854 1 731 . 1 1 65 65 LYS HD3 H 1 1.731 0.05 . 1 . . . . 65 LYS HD3 . 26854 1 732 . 1 1 65 65 LYS HE3 H 1 2.997 0.05 . 1 . . . . 65 LYS HE3 . 26854 1 733 . 1 1 65 65 LYS C C 13 180.113 0.3 . 1 . . . . 65 LYS C . 26854 1 734 . 1 1 65 65 LYS CA C 13 59.621 0.3 . 1 . . . . 65 LYS CA . 26854 1 735 . 1 1 65 65 LYS CB C 13 32.410 0.3 . 1 . . . . 65 LYS CB . 26854 1 736 . 1 1 65 65 LYS CG C 13 25.481 0.3 . 1 . . . . 65 LYS CG . 26854 1 737 . 1 1 65 65 LYS CD C 13 29.749 0.3 . 1 . . . . 65 LYS CD . 26854 1 738 . 1 1 65 65 LYS CE C 13 42.077 0.3 . 1 . . . . 65 LYS CE . 26854 1 739 . 1 1 65 65 LYS N N 15 118.144 0.3 . 1 . . . . 65 LYS N . 26854 1 740 . 1 1 66 66 ILE H H 1 7.595 0.05 . 1 . . . . 66 ILE HN . 26854 1 741 . 1 1 66 66 ILE HA H 1 3.521 0.05 . 1 . . . . 66 ILE HA . 26854 1 742 . 1 1 66 66 ILE HB H 1 2.037 0.05 . 1 . . . . 66 ILE HB . 26854 1 743 . 1 1 66 66 ILE HG12 H 1 0.482 0.05 . 1 . . . . 66 ILE HG12 . 26854 1 744 . 1 1 66 66 ILE HG13 H 1 1.949 0.05 . 1 . . . . 66 ILE HG13 . 26854 1 745 . 1 1 66 66 ILE HG21 H 1 0.671 0.05 . 1 . . . . 66 ILE HG21 . 26854 1 746 . 1 1 66 66 ILE HG22 H 1 0.671 0.05 . 1 . . . . 66 ILE HG21 . 26854 1 747 . 1 1 66 66 ILE HG23 H 1 0.671 0.05 . 1 . . . . 66 ILE HG21 . 26854 1 748 . 1 1 66 66 ILE HD11 H 1 0.456 0.05 . 1 . . . . 66 ILE HD11 . 26854 1 749 . 1 1 66 66 ILE HD12 H 1 0.456 0.05 . 1 . . . . 66 ILE HD11 . 26854 1 750 . 1 1 66 66 ILE HD13 H 1 0.456 0.05 . 1 . . . . 66 ILE HD11 . 26854 1 751 . 1 1 66 66 ILE C C 13 176.474 0.3 . 1 . . . . 66 ILE C . 26854 1 752 . 1 1 66 66 ILE CA C 13 65.733 0.3 . 1 . . . . 66 ILE CA . 26854 1 753 . 1 1 66 66 ILE CB C 13 38.029 0.3 . 1 . . . . 66 ILE CB . 26854 1 754 . 1 1 66 66 ILE CG1 C 13 27.600 0.3 . 1 . . . . 66 ILE CG1 . 26854 1 755 . 1 1 66 66 ILE CG2 C 13 18.161 0.3 . 1 . . . . 66 ILE CG2 . 26854 1 756 . 1 1 66 66 ILE CD1 C 13 14.391 0.3 . 1 . . . . 66 ILE CD1 . 26854 1 757 . 1 1 66 66 ILE N N 15 119.338 0.3 . 1 . . . . 66 ILE N . 26854 1 758 . 1 1 67 67 ARG H H 1 7.968 0.05 . 1 . . . . 67 ARG HN . 26854 1 759 . 1 1 67 67 ARG HA H 1 3.796 0.05 . 1 . . . . 67 ARG HA . 26854 1 760 . 1 1 67 67 ARG HB2 H 1 1.947 0.05 . 1 . . . . 67 ARG HB2 . 26854 1 761 . 1 1 67 67 ARG HB3 H 1 2.158 0.05 . 1 . . . . 67 ARG HB3 . 26854 1 762 . 1 1 67 67 ARG HG3 H 1 1.715 0.05 . 1 . . . . 67 ARG HG3 . 26854 1 763 . 1 1 67 67 ARG HD2 H 1 3.246 0.05 . 1 . . . . 67 ARG HD2 . 26854 1 764 . 1 1 67 67 ARG HD3 H 1 3.359 0.05 . 1 . . . . 67 ARG HD3 . 26854 1 765 . 1 1 67 67 ARG HE H 1 7.730 0.05 . 1 . . . . 67 ARG HE . 26854 1 766 . 1 1 67 67 ARG C C 13 177.799 0.3 . 1 . . . . 67 ARG C . 26854 1 767 . 1 1 67 67 ARG CA C 13 59.213 0.3 . 1 . . . . 67 ARG CA . 26854 1 768 . 1 1 67 67 ARG CB C 13 31.054 0.3 . 1 . . . . 67 ARG CB . 26854 1 769 . 1 1 67 67 ARG CG C 13 26.517 0.3 . 1 . . . . 67 ARG CG . 26854 1 770 . 1 1 67 67 ARG CD C 13 43.658 0.3 . 1 . . . . 67 ARG CD . 26854 1 771 . 1 1 67 67 ARG N N 15 120.675 0.3 . 1 . . . . 67 ARG N . 26854 1 772 . 1 1 67 67 ARG NE N 15 86.184 0.3 . 1 . . . . 67 ARG NE . 26854 1 773 . 1 1 68 68 ASP H H 1 8.626 0.05 . 1 . . . . 68 ASP HN . 26854 1 774 . 1 1 68 68 ASP HA H 1 4.292 0.05 . 1 . . . . 68 ASP HA . 26854 1 775 . 1 1 68 68 ASP HB2 H 1 2.593 0.05 . 1 . . . . 68 ASP HB2 . 26854 1 776 . 1 1 68 68 ASP HB3 H 1 2.670 0.05 . 1 . . . . 68 ASP HB3 . 26854 1 777 . 1 1 68 68 ASP C C 13 177.924 0.3 . 1 . . . . 68 ASP C . 26854 1 778 . 1 1 68 68 ASP CA C 13 57.366 0.3 . 1 . . . . 68 ASP CA . 26854 1 779 . 1 1 68 68 ASP CB C 13 40.361 0.3 . 1 . . . . 68 ASP CB . 26854 1 780 . 1 1 68 68 ASP N N 15 117.370 0.3 . 1 . . . . 68 ASP N . 26854 1 781 . 1 1 69 69 ALA H H 1 7.418 0.05 . 1 . . . . 69 ALA HN . 26854 1 782 . 1 1 69 69 ALA HA H 1 4.078 0.05 . 1 . . . . 69 ALA HA . 26854 1 783 . 1 1 69 69 ALA HB1 H 1 1.306 0.05 . 1 . . . . 69 ALA HB3 . 26854 1 784 . 1 1 69 69 ALA HB2 H 1 1.306 0.05 . 1 . . . . 69 ALA HB3 . 26854 1 785 . 1 1 69 69 ALA HB3 H 1 1.306 0.05 . 1 . . . . 69 ALA HB3 . 26854 1 786 . 1 1 69 69 ALA C C 13 179.461 0.3 . 1 . . . . 69 ALA C . 26854 1 787 . 1 1 69 69 ALA CA C 13 54.981 0.3 . 1 . . . . 69 ALA CA . 26854 1 788 . 1 1 69 69 ALA CB C 13 18.127 0.3 . 1 . . . . 69 ALA CB . 26854 1 789 . 1 1 69 69 ALA N N 15 123.010 0.3 . 1 . . . . 69 ALA N . 26854 1 790 . 1 1 70 70 ILE H H 1 7.923 0.05 . 1 . . . . 70 ILE HN . 26854 1 791 . 1 1 70 70 ILE HA H 1 3.434 0.05 . 1 . . . . 70 ILE HA . 26854 1 792 . 1 1 70 70 ILE HB H 1 1.815 0.05 . 1 . . . . 70 ILE HB . 26854 1 793 . 1 1 70 70 ILE HG12 H 1 -0.177 0.05 . 1 . . . . 70 ILE HG12 . 26854 1 794 . 1 1 70 70 ILE HG13 H 1 1.528 0.05 . 1 . . . . 70 ILE HG13 . 26854 1 795 . 1 1 70 70 ILE HG21 H 1 0.607 0.05 . 1 . . . . 70 ILE HG21 . 26854 1 796 . 1 1 70 70 ILE HG22 H 1 0.607 0.05 . 1 . . . . 70 ILE HG21 . 26854 1 797 . 1 1 70 70 ILE HG23 H 1 0.607 0.05 . 1 . . . . 70 ILE HG21 . 26854 1 798 . 1 1 70 70 ILE HD11 H 1 0.801 0.05 . 1 . . . . 70 ILE HD11 . 26854 1 799 . 1 1 70 70 ILE HD12 H 1 0.801 0.05 . 1 . . . . 70 ILE HD11 . 26854 1 800 . 1 1 70 70 ILE HD13 H 1 0.801 0.05 . 1 . . . . 70 ILE HD11 . 26854 1 801 . 1 1 70 70 ILE C C 13 180.615 0.3 . 1 . . . . 70 ILE C . 26854 1 802 . 1 1 70 70 ILE CA C 13 65.054 0.3 . 1 . . . . 70 ILE CA . 26854 1 803 . 1 1 70 70 ILE CB C 13 38.093 0.3 . 1 . . . . 70 ILE CB . 26854 1 804 . 1 1 70 70 ILE CG1 C 13 30.341 0.3 . 1 . . . . 70 ILE CG1 . 26854 1 805 . 1 1 70 70 ILE CG2 C 13 17.482 0.3 . 1 . . . . 70 ILE CG2 . 26854 1 806 . 1 1 70 70 ILE CD1 C 13 16.972 0.3 . 1 . . . . 70 ILE CD1 . 26854 1 807 . 1 1 70 70 ILE N N 15 118.782 0.3 . 1 . . . . 70 ILE N . 26854 1 808 . 1 1 71 71 ASP H H 1 8.583 0.05 . 1 . . . . 71 ASP HN . 26854 1 809 . 1 1 71 71 ASP HA H 1 4.423 0.05 . 1 . . . . 71 ASP HA . 26854 1 810 . 1 1 71 71 ASP HB2 H 1 2.723 0.05 . 1 . . . . 71 ASP HB2 . 26854 1 811 . 1 1 71 71 ASP HB3 H 1 2.792 0.05 . 1 . . . . 71 ASP HB3 . 26854 1 812 . 1 1 71 71 ASP C C 13 178.052 0.3 . 1 . . . . 71 ASP C . 26854 1 813 . 1 1 71 71 ASP CA C 13 57.464 0.3 . 1 . . . . 71 ASP CA . 26854 1 814 . 1 1 71 71 ASP CB C 13 39.957 0.3 . 1 . . . . 71 ASP CB . 26854 1 815 . 1 1 71 71 ASP N N 15 122.054 0.3 . 1 . . . . 71 ASP N . 26854 1 816 . 1 1 72 72 ASN H H 1 8.059 0.05 . 1 . . . . 72 ASN HN . 26854 1 817 . 1 1 72 72 ASN HA H 1 4.752 0.05 . 1 . . . . 72 ASN HA . 26854 1 818 . 1 1 72 72 ASN HB2 H 1 2.728 0.05 . 1 . . . . 72 ASN HB2 . 26854 1 819 . 1 1 72 72 ASN HB3 H 1 2.828 0.05 . 1 . . . . 72 ASN HB3 . 26854 1 820 . 1 1 72 72 ASN HD21 H 1 7.570 0.05 . 1 . . . . 72 ASN HD21 . 26854 1 821 . 1 1 72 72 ASN HD22 H 1 7.017 0.05 . 1 . . . . 72 ASN HD22 . 26854 1 822 . 1 1 72 72 ASN C C 13 173.276 0.3 . 1 . . . . 72 ASN C . 26854 1 823 . 1 1 72 72 ASN CA C 13 53.472 0.3 . 1 . . . . 72 ASN CA . 26854 1 824 . 1 1 72 72 ASN CB C 13 39.219 0.3 . 1 . . . . 72 ASN CB . 26854 1 825 . 1 1 72 72 ASN N N 15 115.698 0.3 . 1 . . . . 72 ASN N . 26854 1 826 . 1 1 72 72 ASN ND2 N 15 114.482 0.3 . 1 . . . . 72 ASN ND2 . 26854 1 827 . 1 1 73 73 GLN H H 1 8.236 0.05 . 1 . . . . 73 GLN HN . 26854 1 828 . 1 1 73 73 GLN HA H 1 3.827 0.05 . 1 . . . . 73 GLN HA . 26854 1 829 . 1 1 73 73 GLN HB2 H 1 1.862 0.05 . 1 . . . . 73 GLN HB2 . 26854 1 830 . 1 1 73 73 GLN HB3 H 1 2.519 0.05 . 1 . . . . 73 GLN HB3 . 26854 1 831 . 1 1 73 73 GLN HG2 H 1 2.368 0.05 . 1 . . . . 73 GLN HG2 . 26854 1 832 . 1 1 73 73 GLN HG3 H 1 2.569 0.05 . 1 . . . . 73 GLN HG3 . 26854 1 833 . 1 1 73 73 GLN HE21 H 1 7.896 0.05 . 1 . . . . 73 GLN HE21 . 26854 1 834 . 1 1 73 73 GLN HE22 H 1 6.982 0.05 . 1 . . . . 73 GLN HE22 . 26854 1 835 . 1 1 73 73 GLN C C 13 173.599 0.3 . 1 . . . . 73 GLN C . 26854 1 836 . 1 1 73 73 GLN CA C 13 56.979 0.3 . 1 . . . . 73 GLN CA . 26854 1 837 . 1 1 73 73 GLN CB C 13 26.269 0.3 . 1 . . . . 73 GLN CB . 26854 1 838 . 1 1 73 73 GLN CG C 13 34.477 0.3 . 1 . . . . 73 GLN CG . 26854 1 839 . 1 1 73 73 GLN N N 15 118.194 0.3 . 1 . . . . 73 GLN N . 26854 1 840 . 1 1 73 73 GLN NE2 N 15 112.050 0.3 . 1 . . . . 73 GLN NE2 . 26854 1 841 . 1 1 74 74 THR H H 1 8.703 0.05 . 1 . . . . 74 THR HN . 26854 1 842 . 1 1 74 74 THR HA H 1 4.778 0.05 . 1 . . . . 74 THR HA . 26854 1 843 . 1 1 74 74 THR HB H 1 4.137 0.05 . 1 . . . . 74 THR HB . 26854 1 844 . 1 1 74 74 THR HG21 H 1 1.223 0.05 . 1 . . . . 74 THR HG21 . 26854 1 845 . 1 1 74 74 THR HG22 H 1 1.223 0.05 . 1 . . . . 74 THR HG21 . 26854 1 846 . 1 1 74 74 THR HG23 H 1 1.223 0.05 . 1 . . . . 74 THR HG21 . 26854 1 847 . 1 1 74 74 THR C C 13 171.457 0.3 . 1 . . . . 74 THR C . 26854 1 848 . 1 1 74 74 THR CA C 13 59.142 0.3 . 1 . . . . 74 THR CA . 26854 1 849 . 1 1 74 74 THR CB C 13 71.328 0.3 . 1 . . . . 74 THR CB . 26854 1 850 . 1 1 74 74 THR CG2 C 13 19.752 0.3 . 1 . . . . 74 THR CG2 . 26854 1 851 . 1 1 74 74 THR N N 15 112.821 0.3 . 1 . . . . 74 THR N . 26854 1 852 . 1 1 75 75 GLU H H 1 7.831 0.05 . 1 . . . . 75 GLU HN . 26854 1 853 . 1 1 75 75 GLU HA H 1 4.819 0.05 . 1 . . . . 75 GLU HA . 26854 1 854 . 1 1 75 75 GLU HB2 H 1 2.070 0.05 . 1 . . . . 75 GLU HB2 . 26854 1 855 . 1 1 75 75 GLU HB3 H 1 2.237 0.05 . 1 . . . . 75 GLU HB3 . 26854 1 856 . 1 1 75 75 GLU HG3 H 1 2.319 0.05 . 1 . . . . 75 GLU HG3 . 26854 1 857 . 1 1 75 75 GLU C C 13 176.437 0.3 . 1 . . . . 75 GLU C . 26854 1 858 . 1 1 75 75 GLU CA C 13 54.598 0.3 . 1 . . . . 75 GLU CA . 26854 1 859 . 1 1 75 75 GLU CB C 13 32.689 0.3 . 1 . . . . 75 GLU CB . 26854 1 860 . 1 1 75 75 GLU CG C 13 35.820 0.3 . 1 . . . . 75 GLU CG . 26854 1 861 . 1 1 75 75 GLU N N 15 114.721 0.3 . 1 . . . . 75 GLU N . 26854 1 862 . 1 1 76 76 VAL H H 1 7.877 0.05 . 1 . . . . 76 VAL HN . 26854 1 863 . 1 1 76 76 VAL HA H 1 4.420 0.05 . 1 . . . . 76 VAL HA . 26854 1 864 . 1 1 76 76 VAL HB H 1 1.975 0.05 . 1 . . . . 76 VAL HB . 26854 1 865 . 1 1 76 76 VAL HG11 H 1 0.961 0.05 . 2 . . . . 76 VAL HG13 . 26854 1 866 . 1 1 76 76 VAL HG12 H 1 0.961 0.05 . 2 . . . . 76 VAL HG13 . 26854 1 867 . 1 1 76 76 VAL HG13 H 1 0.961 0.05 . 2 . . . . 76 VAL HG13 . 26854 1 868 . 1 1 76 76 VAL HG21 H 1 0.611 0.05 . 2 . . . . 76 VAL HG21 . 26854 1 869 . 1 1 76 76 VAL HG22 H 1 0.611 0.05 . 2 . . . . 76 VAL HG21 . 26854 1 870 . 1 1 76 76 VAL HG23 H 1 0.611 0.05 . 2 . . . . 76 VAL HG21 . 26854 1 871 . 1 1 76 76 VAL C C 13 171.872 0.3 . 1 . . . . 76 VAL C . 26854 1 872 . 1 1 76 76 VAL CA C 13 61.587 0.3 . 1 . . . . 76 VAL CA . 26854 1 873 . 1 1 76 76 VAL CB C 13 34.760 0.3 . 1 . . . . 76 VAL CB . 26854 1 874 . 1 1 76 76 VAL CG1 C 13 22.719 0.3 . 2 . . . . 76 VAL CG1 . 26854 1 875 . 1 1 76 76 VAL CG2 C 13 19.707 0.3 . 2 . . . . 76 VAL CG2 . 26854 1 876 . 1 1 76 76 VAL N N 15 118.330 0.3 . 1 . . . . 76 VAL N . 26854 1 877 . 1 1 77 77 THR H H 1 8.180 0.05 . 1 . . . . 77 THR HN . 26854 1 878 . 1 1 77 77 THR HA H 1 5.686 0.05 . 1 . . . . 77 THR HA . 26854 1 879 . 1 1 77 77 THR HB H 1 3.951 0.05 . 1 . . . . 77 THR HB . 26854 1 880 . 1 1 77 77 THR HG21 H 1 1.252 0.05 . 1 . . . . 77 THR HG21 . 26854 1 881 . 1 1 77 77 THR HG22 H 1 1.252 0.05 . 1 . . . . 77 THR HG21 . 26854 1 882 . 1 1 77 77 THR HG23 H 1 1.252 0.05 . 1 . . . . 77 THR HG21 . 26854 1 883 . 1 1 77 77 THR C C 13 174.342 0.3 . 1 . . . . 77 THR C . 26854 1 884 . 1 1 77 77 THR CA C 13 61.558 0.3 . 1 . . . . 77 THR CA . 26854 1 885 . 1 1 77 77 THR CB C 13 70.921 0.3 . 1 . . . . 77 THR CB . 26854 1 886 . 1 1 77 77 THR CG2 C 13 23.579 0.3 . 1 . . . . 77 THR CG2 . 26854 1 887 . 1 1 77 77 THR N N 15 123.716 0.3 . 1 . . . . 77 THR N . 26854 1 888 . 1 1 78 78 VAL H H 1 9.252 0.05 . 1 . . . . 78 VAL HN . 26854 1 889 . 1 1 78 78 VAL HA H 1 4.914 0.05 . 1 . . . . 78 VAL HA . 26854 1 890 . 1 1 78 78 VAL HB H 1 2.250 0.05 . 1 . . . . 78 VAL HB . 26854 1 891 . 1 1 78 78 VAL HG11 H 1 0.981 0.05 . 2 . . . . 78 VAL HG13 . 26854 1 892 . 1 1 78 78 VAL HG12 H 1 0.981 0.05 . 2 . . . . 78 VAL HG13 . 26854 1 893 . 1 1 78 78 VAL HG13 H 1 0.981 0.05 . 2 . . . . 78 VAL HG13 . 26854 1 894 . 1 1 78 78 VAL HG21 H 1 0.782 0.05 . 2 . . . . 78 VAL HG21 . 26854 1 895 . 1 1 78 78 VAL HG22 H 1 0.782 0.05 . 2 . . . . 78 VAL HG21 . 26854 1 896 . 1 1 78 78 VAL HG23 H 1 0.782 0.05 . 2 . . . . 78 VAL HG21 . 26854 1 897 . 1 1 78 78 VAL C C 13 173.143 0.3 . 1 . . . . 78 VAL C . 26854 1 898 . 1 1 78 78 VAL CA C 13 58.837 0.3 . 1 . . . . 78 VAL CA . 26854 1 899 . 1 1 78 78 VAL CB C 13 37.139 0.3 . 1 . . . . 78 VAL CB . 26854 1 900 . 1 1 78 78 VAL CG1 C 13 22.865 0.3 . 2 . . . . 78 VAL CG1 . 26854 1 901 . 1 1 78 78 VAL CG2 C 13 19.262 0.3 . 2 . . . . 78 VAL CG2 . 26854 1 902 . 1 1 78 78 VAL N N 15 118.819 0.3 . 1 . . . . 78 VAL N . 26854 1 903 . 1 1 79 79 GLN H H 1 8.618 0.05 . 1 . . . . 79 GLN HN . 26854 1 904 . 1 1 79 79 GLN HA H 1 6.066 0.05 . 1 . . . . 79 GLN HA . 26854 1 905 . 1 1 79 79 GLN HB2 H 1 1.974 0.05 . 1 . . . . 79 GLN HB2 . 26854 1 906 . 1 1 79 79 GLN HB3 H 1 2.293 0.05 . 1 . . . . 79 GLN HB3 . 26854 1 907 . 1 1 79 79 GLN HG2 H 1 2.187 0.05 . 1 . . . . 79 GLN HG2 . 26854 1 908 . 1 1 79 79 GLN HG3 H 1 2.425 0.05 . 1 . . . . 79 GLN HG3 . 26854 1 909 . 1 1 79 79 GLN HE21 H 1 7.478 0.05 . 1 . . . . 79 GLN HE21 . 26854 1 910 . 1 1 79 79 GLN HE22 H 1 7.440 0.05 . 1 . . . . 79 GLN HE22 . 26854 1 911 . 1 1 79 79 GLN C C 13 175.589 0.3 . 1 . . . . 79 GLN C . 26854 1 912 . 1 1 79 79 GLN CA C 13 54.796 0.3 . 1 . . . . 79 GLN CA . 26854 1 913 . 1 1 79 79 GLN CB C 13 32.615 0.3 . 1 . . . . 79 GLN CB . 26854 1 914 . 1 1 79 79 GLN CG C 13 36.688 0.3 . 1 . . . . 79 GLN CG . 26854 1 915 . 1 1 79 79 GLN N N 15 117.427 0.3 . 1 . . . . 79 GLN N . 26854 1 916 . 1 1 79 79 GLN NE2 N 15 113.565 0.3 . 1 . . . . 79 GLN NE2 . 26854 1 917 . 1 1 80 80 LEU H H 1 9.398 0.05 . 1 . . . . 80 LEU HN . 26854 1 918 . 1 1 80 80 LEU HA H 1 4.840 0.05 . 1 . . . . 80 LEU HA . 26854 1 919 . 1 1 80 80 LEU HB2 H 1 1.588 0.05 . 1 . . . . 80 LEU HB2 . 26854 1 920 . 1 1 80 80 LEU HB3 H 1 1.797 0.05 . 1 . . . . 80 LEU HB3 . 26854 1 921 . 1 1 80 80 LEU HG H 1 1.394 0.05 . 1 . . . . 80 LEU HG . 26854 1 922 . 1 1 80 80 LEU HD11 H 1 0.810 0.05 . 2 . . . . 80 LEU HD11 . 26854 1 923 . 1 1 80 80 LEU HD12 H 1 0.810 0.05 . 2 . . . . 80 LEU HD11 . 26854 1 924 . 1 1 80 80 LEU HD13 H 1 0.810 0.05 . 2 . . . . 80 LEU HD11 . 26854 1 925 . 1 1 80 80 LEU HD21 H 1 0.536 0.05 . 2 . . . . 80 LEU HD21 . 26854 1 926 . 1 1 80 80 LEU HD22 H 1 0.536 0.05 . 2 . . . . 80 LEU HD21 . 26854 1 927 . 1 1 80 80 LEU HD23 H 1 0.536 0.05 . 2 . . . . 80 LEU HD21 . 26854 1 928 . 1 1 80 80 LEU C C 13 173.017 0.3 . 1 . . . . 80 LEU C . 26854 1 929 . 1 1 80 80 LEU CA C 13 55.110 0.3 . 1 . . . . 80 LEU CA . 26854 1 930 . 1 1 80 80 LEU CB C 13 44.557 0.3 . 1 . . . . 80 LEU CB . 26854 1 931 . 1 1 80 80 LEU CG C 13 27.097 0.3 . 1 . . . . 80 LEU CG . 26854 1 932 . 1 1 80 80 LEU CD1 C 13 24.259 0.3 . 2 . . . . 80 LEU CD1 . 26854 1 933 . 1 1 80 80 LEU CD2 C 13 27.207 0.3 . 2 . . . . 80 LEU CD2 . 26854 1 934 . 1 1 80 80 LEU N N 15 124.065 0.3 . 1 . . . . 80 LEU N . 26854 1 935 . 1 1 81 81 ILE H H 1 8.025 0.05 . 1 . . . . 81 ILE HN . 26854 1 936 . 1 1 81 81 ILE HA H 1 3.455 0.05 . 1 . . . . 81 ILE HA . 26854 1 937 . 1 1 81 81 ILE HB H 1 0.806 0.05 . 1 . . . . 81 ILE HB . 26854 1 938 . 1 1 81 81 ILE HG12 H 1 -1.027 0.05 . 1 . . . . 81 ILE HG12 . 26854 1 939 . 1 1 81 81 ILE HG13 H 1 -0.096 0.05 . 1 . . . . 81 ILE HG13 . 26854 1 940 . 1 1 81 81 ILE HG21 H 1 0.064 0.05 . 1 . . . . 81 ILE HG21 . 26854 1 941 . 1 1 81 81 ILE HG22 H 1 0.064 0.05 . 1 . . . . 81 ILE HG21 . 26854 1 942 . 1 1 81 81 ILE HG23 H 1 0.064 0.05 . 1 . . . . 81 ILE HG21 . 26854 1 943 . 1 1 81 81 ILE HD11 H 1 0.233 0.05 . 1 . . . . 81 ILE HD11 . 26854 1 944 . 1 1 81 81 ILE HD12 H 1 0.233 0.05 . 1 . . . . 81 ILE HD11 . 26854 1 945 . 1 1 81 81 ILE HD13 H 1 0.233 0.05 . 1 . . . . 81 ILE HD11 . 26854 1 946 . 1 1 81 81 ILE C C 13 176.133 0.3 . 1 . . . . 81 ILE C . 26854 1 947 . 1 1 81 81 ILE CA C 13 61.207 0.3 . 1 . . . . 81 ILE CA . 26854 1 948 . 1 1 81 81 ILE CB C 13 37.572 0.3 . 1 . . . . 81 ILE CB . 26854 1 949 . 1 1 81 81 ILE CG1 C 13 27.037 0.3 . 1 . . . . 81 ILE CG1 . 26854 1 950 . 1 1 81 81 ILE CG2 C 13 17.228 0.3 . 1 . . . . 81 ILE CG2 . 26854 1 951 . 1 1 81 81 ILE CD1 C 13 12.739 0.3 . 1 . . . . 81 ILE CD1 . 26854 1 952 . 1 1 81 81 ILE N N 15 121.890 0.3 . 1 . . . . 81 ILE N . 26854 1 953 . 1 1 82 82 ASN H H 1 8.727 0.05 . 1 . . . . 82 ASN HN . 26854 1 954 . 1 1 82 82 ASN HA H 1 4.907 0.05 . 1 . . . . 82 ASN HA . 26854 1 955 . 1 1 82 82 ASN HB2 H 1 1.344 0.05 . 1 . . . . 82 ASN HB2 . 26854 1 956 . 1 1 82 82 ASN HB3 H 1 2.426 0.05 . 1 . . . . 82 ASN HB3 . 26854 1 957 . 1 1 82 82 ASN C C 13 169.949 0.3 . 1 . . . . 82 ASN C . 26854 1 958 . 1 1 82 82 ASN CA C 13 50.493 0.3 . 1 . . . . 82 ASN CA . 26854 1 959 . 1 1 82 82 ASN CB C 13 47.080 0.3 . 1 . . . . 82 ASN CB . 26854 1 960 . 1 1 82 82 ASN N N 15 106.881 0.3 . 1 . . . . 82 ASN N . 26854 1 961 . 1 1 83 83 TYR H H 1 8.902 0.05 . 1 . . . . 83 TYR HN . 26854 1 962 . 1 1 83 83 TYR HA H 1 5.407 0.05 . 1 . . . . 83 TYR HA . 26854 1 963 . 1 1 83 83 TYR HB2 H 1 2.487 0.05 . 1 . . . . 83 TYR HB2 . 26854 1 964 . 1 1 83 83 TYR HB3 H 1 2.665 0.05 . 1 . . . . 83 TYR HB3 . 26854 1 965 . 1 1 83 83 TYR HD1 H 1 6.823 0.05 . 3 . . . . 83 TYR HD1 . 26854 1 966 . 1 1 83 83 TYR HE1 H 1 6.444 0.05 . 3 . . . . 83 TYR HE1 . 26854 1 967 . 1 1 83 83 TYR C C 13 177.475 0.3 . 1 . . . . 83 TYR C . 26854 1 968 . 1 1 83 83 TYR CA C 13 56.750 0.3 . 1 . . . . 83 TYR CA . 26854 1 969 . 1 1 83 83 TYR CB C 13 42.741 0.3 . 1 . . . . 83 TYR CB . 26854 1 970 . 1 1 83 83 TYR CD1 C 13 132.300 0.3 . 3 . . . . 83 TYR CD1 . 26854 1 971 . 1 1 83 83 TYR CE1 C 13 117.200 0.3 . 3 . . . . 83 TYR CE1 . 26854 1 972 . 1 1 83 83 TYR N N 15 114.927 0.3 . 1 . . . . 83 TYR N . 26854 1 973 . 1 1 84 84 THR H H 1 9.207 0.05 . 1 . . . . 84 THR HN . 26854 1 974 . 1 1 84 84 THR HA H 1 4.552 0.05 . 1 . . . . 84 THR HA . 26854 1 975 . 1 1 84 84 THR HB H 1 4.398 0.05 . 1 . . . . 84 THR HB . 26854 1 976 . 1 1 84 84 THR HG21 H 1 1.416 0.05 . 1 . . . . 84 THR HG21 . 26854 1 977 . 1 1 84 84 THR HG22 H 1 1.416 0.05 . 1 . . . . 84 THR HG21 . 26854 1 978 . 1 1 84 84 THR HG23 H 1 1.416 0.05 . 1 . . . . 84 THR HG21 . 26854 1 979 . 1 1 84 84 THR C C 13 176.544 0.3 . 1 . . . . 84 THR C . 26854 1 980 . 1 1 84 84 THR CA C 13 60.220 0.3 . 1 . . . . 84 THR CA . 26854 1 981 . 1 1 84 84 THR CB C 13 71.210 0.3 . 1 . . . . 84 THR CB . 26854 1 982 . 1 1 84 84 THR CG2 C 13 23.089 0.3 . 1 . . . . 84 THR CG2 . 26854 1 983 . 1 1 84 84 THR N N 15 112.606 0.3 . 1 . . . . 84 THR N . 26854 1 984 . 1 1 85 85 LYS H H 1 8.801 0.05 . 1 . . . . 85 LYS HN . 26854 1 985 . 1 1 85 85 LYS HA H 1 3.791 0.05 . 1 . . . . 85 LYS HA . 26854 1 986 . 1 1 85 85 LYS HB2 H 1 0.094 0.05 . 1 . . . . 85 LYS HB2 . 26854 1 987 . 1 1 85 85 LYS HB3 H 1 1.285 0.05 . 1 . . . . 85 LYS HB3 . 26854 1 988 . 1 1 85 85 LYS HG2 H 1 0.980 0.05 . 1 . . . . 85 LYS HG2 . 26854 1 989 . 1 1 85 85 LYS HG3 H 1 1.008 0.05 . 1 . . . . 85 LYS HG3 . 26854 1 990 . 1 1 85 85 LYS HD2 H 1 1.291 0.05 . 1 . . . . 85 LYS HD2 . 26854 1 991 . 1 1 85 85 LYS HD3 H 1 1.339 0.05 . 1 . . . . 85 LYS HD3 . 26854 1 992 . 1 1 85 85 LYS HE3 H 1 2.799 0.05 . 1 . . . . 85 LYS HE3 . 26854 1 993 . 1 1 85 85 LYS C C 13 177.591 0.3 . 1 . . . . 85 LYS C . 26854 1 994 . 1 1 85 85 LYS CA C 13 60.216 0.3 . 1 . . . . 85 LYS CA . 26854 1 995 . 1 1 85 85 LYS CB C 13 32.914 0.3 . 1 . . . . 85 LYS CB . 26854 1 996 . 1 1 85 85 LYS CG C 13 25.068 0.3 . 1 . . . . 85 LYS CG . 26854 1 997 . 1 1 85 85 LYS CD C 13 29.606 0.3 . 1 . . . . 85 LYS CD . 26854 1 998 . 1 1 85 85 LYS CE C 13 42.032 0.3 . 1 . . . . 85 LYS CE . 26854 1 999 . 1 1 85 85 LYS N N 15 121.924 0.3 . 1 . . . . 85 LYS N . 26854 1 1000 . 1 1 86 86 SER H H 1 7.527 0.05 . 1 . . . . 86 SER HN . 26854 1 1001 . 1 1 86 86 SER HA H 1 4.308 0.05 . 1 . . . . 86 SER HA . 26854 1 1002 . 1 1 86 86 SER HB2 H 1 3.786 0.05 . 1 . . . . 86 SER HB2 . 26854 1 1003 . 1 1 86 86 SER HB3 H 1 4.075 0.05 . 1 . . . . 86 SER HB3 . 26854 1 1004 . 1 1 86 86 SER C C 13 175.155 0.3 . 1 . . . . 86 SER C . 26854 1 1005 . 1 1 86 86 SER CA C 13 58.816 0.3 . 1 . . . . 86 SER CA . 26854 1 1006 . 1 1 86 86 SER CB C 13 62.839 0.3 . 1 . . . . 86 SER CB . 26854 1 1007 . 1 1 86 86 SER N N 15 108.150 0.3 . 1 . . . . 86 SER N . 26854 1 1008 . 1 1 87 87 GLY H H 1 8.230 0.05 . 1 . . . . 87 GLY HN . 26854 1 1009 . 1 1 87 87 GLY HA2 H 1 3.702 0.05 . 1 . . . . 87 GLY HA2 . 26854 1 1010 . 1 1 87 87 GLY HA3 H 1 4.352 0.05 . 1 . . . . 87 GLY HA3 . 26854 1 1011 . 1 1 87 87 GLY C C 13 174.333 0.3 . 1 . . . . 87 GLY C . 26854 1 1012 . 1 1 87 87 GLY CA C 13 45.408 0.3 . 1 . . . . 87 GLY CA . 26854 1 1013 . 1 1 87 87 GLY N N 15 111.152 0.3 . 1 . . . . 87 GLY N . 26854 1 1014 . 1 1 88 88 LYS H H 1 7.510 0.05 . 1 . . . . 88 LYS HN . 26854 1 1015 . 1 1 88 88 LYS HA H 1 4.283 0.05 . 1 . . . . 88 LYS HA . 26854 1 1016 . 1 1 88 88 LYS HB3 H 1 1.870 0.05 . 1 . . . . 88 LYS HB3 . 26854 1 1017 . 1 1 88 88 LYS HG2 H 1 1.347 0.05 . 1 . . . . 88 LYS HG2 . 26854 1 1018 . 1 1 88 88 LYS HG3 H 1 1.491 0.05 . 1 . . . . 88 LYS HG3 . 26854 1 1019 . 1 1 88 88 LYS HD3 H 1 1.650 0.05 . 1 . . . . 88 LYS HD3 . 26854 1 1020 . 1 1 88 88 LYS HE3 H 1 2.941 0.05 . 1 . . . . 88 LYS HE3 . 26854 1 1021 . 1 1 88 88 LYS C C 13 175.927 0.3 . 1 . . . . 88 LYS C . 26854 1 1022 . 1 1 88 88 LYS CA C 13 56.894 0.3 . 1 . . . . 88 LYS CA . 26854 1 1023 . 1 1 88 88 LYS CB C 13 32.081 0.3 . 1 . . . . 88 LYS CB . 26854 1 1024 . 1 1 88 88 LYS CG C 13 24.589 0.3 . 1 . . . . 88 LYS CG . 26854 1 1025 . 1 1 88 88 LYS CD C 13 29.272 0.3 . 1 . . . . 88 LYS CD . 26854 1 1026 . 1 1 88 88 LYS CE C 13 42.446 0.3 . 1 . . . . 88 LYS CE . 26854 1 1027 . 1 1 88 88 LYS N N 15 121.757 0.3 . 1 . . . . 88 LYS N . 26854 1 1028 . 1 1 89 89 LYS H H 1 8.367 0.05 . 1 . . . . 89 LYS HN . 26854 1 1029 . 1 1 89 89 LYS HA H 1 4.396 0.05 . 1 . . . . 89 LYS HA . 26854 1 1030 . 1 1 89 89 LYS HB3 H 1 1.349 0.05 . 1 . . . . 89 LYS HB3 . 26854 1 1031 . 1 1 89 89 LYS HG2 H 1 0.643 0.05 . 1 . . . . 89 LYS HG2 . 26854 1 1032 . 1 1 89 89 LYS HG3 H 1 0.916 0.05 . 1 . . . . 89 LYS HG3 . 26854 1 1033 . 1 1 89 89 LYS HD2 H 1 1.329 0.05 . 1 . . . . 89 LYS HD2 . 26854 1 1034 . 1 1 89 89 LYS HD3 H 1 1.528 0.05 . 1 . . . . 89 LYS HD3 . 26854 1 1035 . 1 1 89 89 LYS HE2 H 1 2.782 0.05 . 1 . . . . 89 LYS HE2 . 26854 1 1036 . 1 1 89 89 LYS HE3 H 1 2.883 0.05 . 1 . . . . 89 LYS HE3 . 26854 1 1037 . 1 1 89 89 LYS C C 13 176.634 0.3 . 1 . . . . 89 LYS C . 26854 1 1038 . 1 1 89 89 LYS CA C 13 55.352 0.3 . 1 . . . . 89 LYS CA . 26854 1 1039 . 1 1 89 89 LYS CB C 13 34.139 0.3 . 1 . . . . 89 LYS CB . 26854 1 1040 . 1 1 89 89 LYS CG C 13 24.788 0.3 . 1 . . . . 89 LYS CG . 26854 1 1041 . 1 1 89 89 LYS CD C 13 29.241 0.3 . 1 . . . . 89 LYS CD . 26854 1 1042 . 1 1 89 89 LYS CE C 13 41.499 0.3 . 1 . . . . 89 LYS CE . 26854 1 1043 . 1 1 89 89 LYS N N 15 125.262 0.3 . 1 . . . . 89 LYS N . 26854 1 1044 . 1 1 90 90 PHE H H 1 8.730 0.05 . 1 . . . . 90 PHE HN . 26854 1 1045 . 1 1 90 90 PHE HA H 1 4.882 0.05 . 1 . . . . 90 PHE HA . 26854 1 1046 . 1 1 90 90 PHE HB2 H 1 3.016 0.05 . 1 . . . . 90 PHE HB2 . 26854 1 1047 . 1 1 90 90 PHE HB3 H 1 3.102 0.05 . 1 . . . . 90 PHE HB3 . 26854 1 1048 . 1 1 90 90 PHE HD1 H 1 7.034 0.05 . 3 . . . . 90 PHE HD1 . 26854 1 1049 . 1 1 90 90 PHE HE1 H 1 6.794 0.05 . 3 . . . . 90 PHE HE1 . 26854 1 1050 . 1 1 90 90 PHE HZ H 1 6.807 0.05 . 1 . . . . 90 PHE HZ . 26854 1 1051 . 1 1 90 90 PHE C C 13 173.588 0.3 . 1 . . . . 90 PHE C . 26854 1 1052 . 1 1 90 90 PHE CA C 13 56.239 0.3 . 1 . . . . 90 PHE CA . 26854 1 1053 . 1 1 90 90 PHE CB C 13 41.094 0.3 . 1 . . . . 90 PHE CB . 26854 1 1054 . 1 1 90 90 PHE CD1 C 13 133.400 0.3 . 3 . . . . 90 PHE CD1 . 26854 1 1055 . 1 1 90 90 PHE CE1 C 13 129.200 0.3 . 3 . . . . 90 PHE CE1 . 26854 1 1056 . 1 1 90 90 PHE CZ C 13 129.000 0.3 . 1 . . . . 90 PHE CZ . 26854 1 1057 . 1 1 90 90 PHE N N 15 119.724 0.3 . 1 . . . . 90 PHE N . 26854 1 1058 . 1 1 91 91 TRP H H 1 8.428 0.05 . 1 . . . . 91 TRP HN . 26854 1 1059 . 1 1 91 91 TRP HA H 1 4.058 0.05 . 1 . . . . 91 TRP HA . 26854 1 1060 . 1 1 91 91 TRP HB2 H 1 2.466 0.05 . 1 . . . . 91 TRP HB2 . 26854 1 1061 . 1 1 91 91 TRP HB3 H 1 3.350 0.05 . 1 . . . . 91 TRP HB3 . 26854 1 1062 . 1 1 91 91 TRP HD1 H 1 6.776 0.05 . 1 . . . . 91 TRP HD1 . 26854 1 1063 . 1 1 91 91 TRP HE1 H 1 10.143 0.05 . 1 . . . . 91 TRP HE1 . 26854 1 1064 . 1 1 91 91 TRP HE3 H 1 7.212 0.05 . 1 . . . . 91 TRP HE3 . 26854 1 1065 . 1 1 91 91 TRP HZ2 H 1 7.557 0.05 . 1 . . . . 91 TRP HZ2 . 26854 1 1066 . 1 1 91 91 TRP HZ3 H 1 6.714 0.05 . 1 . . . . 91 TRP HZ3 . 26854 1 1067 . 1 1 91 91 TRP HH2 H 1 7.236 0.05 . 1 . . . . 91 TRP HH2 . 26854 1 1068 . 1 1 91 91 TRP C C 13 174.634 0.3 . 1 . . . . 91 TRP C . 26854 1 1069 . 1 1 91 91 TRP CA C 13 58.920 0.3 . 1 . . . . 91 TRP CA . 26854 1 1070 . 1 1 91 91 TRP CB C 13 29.337 0.3 . 1 . . . . 91 TRP CB . 26854 1 1071 . 1 1 91 91 TRP CD1 C 13 124.943 0.3 . 1 . . . . 91 TRP CD1 . 26854 1 1072 . 1 1 91 91 TRP CE3 C 13 119.594 0.3 . 1 . . . . 91 TRP CE3 . 26854 1 1073 . 1 1 91 91 TRP CZ2 C 13 115.320 0.3 . 1 . . . . 91 TRP CZ2 . 26854 1 1074 . 1 1 91 91 TRP CZ3 C 13 120.332 0.3 . 1 . . . . 91 TRP CZ3 . 26854 1 1075 . 1 1 91 91 TRP CH2 C 13 124.446 0.3 . 1 . . . . 91 TRP CH2 . 26854 1 1076 . 1 1 91 91 TRP N N 15 121.260 0.3 . 1 . . . . 91 TRP N . 26854 1 1077 . 1 1 91 91 TRP NE1 N 15 128.095 0.3 . 1 . . . . 91 TRP NE1 . 26854 1 1078 . 1 1 92 92 ASN H H 1 8.904 0.05 . 1 . . . . 92 ASN HN . 26854 1 1079 . 1 1 92 92 ASN HA H 1 5.062 0.05 . 1 . . . . 92 ASN HA . 26854 1 1080 . 1 1 92 92 ASN HB2 H 1 2.266 0.05 . 1 . . . . 92 ASN HB2 . 26854 1 1081 . 1 1 92 92 ASN HB3 H 1 3.198 0.05 . 1 . . . . 92 ASN HB3 . 26854 1 1082 . 1 1 92 92 ASN HD21 H 1 7.202 0.05 . 1 . . . . 92 ASN HD21 . 26854 1 1083 . 1 1 92 92 ASN HD22 H 1 5.473 0.05 . 1 . . . . 92 ASN HD22 . 26854 1 1084 . 1 1 92 92 ASN C C 13 175.106 0.3 . 1 . . . . 92 ASN C . 26854 1 1085 . 1 1 92 92 ASN CA C 13 51.257 0.3 . 1 . . . . 92 ASN CA . 26854 1 1086 . 1 1 92 92 ASN CB C 13 40.326 0.3 . 1 . . . . 92 ASN CB . 26854 1 1087 . 1 1 92 92 ASN N N 15 122.318 0.3 . 1 . . . . 92 ASN N . 26854 1 1088 . 1 1 92 92 ASN ND2 N 15 127.280 0.3 . 1 . . . . 92 ASN ND2 . 26854 1 1089 . 1 1 93 93 LEU H H 1 8.781 0.05 . 1 . . . . 93 LEU HN . 26854 1 1090 . 1 1 93 93 LEU HA H 1 4.771 0.05 . 1 . . . . 93 LEU HA . 26854 1 1091 . 1 1 93 93 LEU HB2 H 1 1.377 0.05 . 1 . . . . 93 LEU HB2 . 26854 1 1092 . 1 1 93 93 LEU HB3 H 1 2.355 0.05 . 1 . . . . 93 LEU HB3 . 26854 1 1093 . 1 1 93 93 LEU HG H 1 1.532 0.05 . 1 . . . . 93 LEU HG . 26854 1 1094 . 1 1 93 93 LEU HD11 H 1 0.808 0.05 . 2 . . . . 93 LEU HD11 . 26854 1 1095 . 1 1 93 93 LEU HD12 H 1 0.808 0.05 . 2 . . . . 93 LEU HD11 . 26854 1 1096 . 1 1 93 93 LEU HD13 H 1 0.808 0.05 . 2 . . . . 93 LEU HD11 . 26854 1 1097 . 1 1 93 93 LEU HD21 H 1 0.757 0.05 . 2 . . . . 93 LEU HD21 . 26854 1 1098 . 1 1 93 93 LEU HD22 H 1 0.757 0.05 . 2 . . . . 93 LEU HD21 . 26854 1 1099 . 1 1 93 93 LEU HD23 H 1 0.757 0.05 . 2 . . . . 93 LEU HD21 . 26854 1 1100 . 1 1 93 93 LEU C C 13 171.602 0.3 . 1 . . . . 93 LEU C . 26854 1 1101 . 1 1 93 93 LEU CA C 13 56.073 0.3 . 1 . . . . 93 LEU CA . 26854 1 1102 . 1 1 93 93 LEU CB C 13 41.487 0.3 . 1 . . . . 93 LEU CB . 26854 1 1103 . 1 1 93 93 LEU CG C 13 27.900 0.3 . 1 . . . . 93 LEU CG . 26854 1 1104 . 1 1 93 93 LEU CD1 C 13 25.695 0.3 . 2 . . . . 93 LEU CD1 . 26854 1 1105 . 1 1 93 93 LEU CD2 C 13 24.367 0.3 . 2 . . . . 93 LEU CD2 . 26854 1 1106 . 1 1 93 93 LEU N N 15 129.569 0.3 . 1 . . . . 93 LEU N . 26854 1 1107 . 1 1 94 94 PHE H H 1 9.055 0.05 . 1 . . . . 94 PHE HN . 26854 1 1108 . 1 1 94 94 PHE HA H 1 5.711 0.05 . 1 . . . . 94 PHE HA . 26854 1 1109 . 1 1 94 94 PHE HB2 H 1 2.390 0.05 . 1 . . . . 94 PHE HB2 . 26854 1 1110 . 1 1 94 94 PHE HB3 H 1 2.926 0.05 . 1 . . . . 94 PHE HB3 . 26854 1 1111 . 1 1 94 94 PHE HD1 H 1 6.823 0.05 . 3 . . . . 94 PHE HD1 . 26854 1 1112 . 1 1 94 94 PHE HE1 H 1 6.423 0.05 . 3 . . . . 94 PHE HE1 . 26854 1 1113 . 1 1 94 94 PHE HZ H 1 6.820 0.05 . 1 . . . . 94 PHE HZ . 26854 1 1114 . 1 1 94 94 PHE C C 13 173.654 0.3 . 1 . . . . 94 PHE C . 26854 1 1115 . 1 1 94 94 PHE CA C 13 55.640 0.3 . 1 . . . . 94 PHE CA . 26854 1 1116 . 1 1 94 94 PHE CB C 13 42.142 0.3 . 1 . . . . 94 PHE CB . 26854 1 1117 . 1 1 94 94 PHE CD1 C 13 131.040 0.3 . 3 . . . . 94 PHE CD1 . 26854 1 1118 . 1 1 94 94 PHE CE1 C 13 130.070 0.3 . 3 . . . . 94 PHE CE1 . 26854 1 1119 . 1 1 94 94 PHE N N 15 127.691 0.3 . 1 . . . . 94 PHE N . 26854 1 1120 . 1 1 95 95 HIS H H 1 8.338 0.05 . 1 . . . . 95 HIS HN . 26854 1 1121 . 1 1 95 95 HIS HA H 1 5.250 0.05 . 1 . . . . 95 HIS HA . 26854 1 1122 . 1 1 95 95 HIS HB2 H 1 2.441 0.05 . 1 . . . . 95 HIS HB2 . 26854 1 1123 . 1 1 95 95 HIS HB3 H 1 2.821 0.05 . 1 . . . . 95 HIS HB3 . 26854 1 1124 . 1 1 95 95 HIS HD2 H 1 6.401 0.05 . 1 . . . . 95 HIS HD2 . 26854 1 1125 . 1 1 95 95 HIS C C 13 170.345 0.3 . 1 . . . . 95 HIS C . 26854 1 1126 . 1 1 95 95 HIS CA C 13 53.269 0.3 . 1 . . . . 95 HIS CA . 26854 1 1127 . 1 1 95 95 HIS CB C 13 33.279 0.3 . 1 . . . . 95 HIS CB . 26854 1 1128 . 1 1 95 95 HIS CD2 C 13 117.520 0.3 . 1 . . . . 95 HIS CD2 . 26854 1 1129 . 1 1 95 95 HIS N N 15 123.188 0.3 . 1 . . . . 95 HIS N . 26854 1 1130 . 1 1 96 96 LEU H H 1 7.821 0.05 . 1 . . . . 96 LEU HN . 26854 1 1131 . 1 1 96 96 LEU HA H 1 4.946 0.05 . 1 . . . . 96 LEU HA . 26854 1 1132 . 1 1 96 96 LEU HB2 H 1 0.950 0.05 . 1 . . . . 96 LEU HB2 . 26854 1 1133 . 1 1 96 96 LEU HB3 H 1 1.272 0.05 . 1 . . . . 96 LEU HB3 . 26854 1 1134 . 1 1 96 96 LEU HG H 1 1.317 0.05 . 1 . . . . 96 LEU HG . 26854 1 1135 . 1 1 96 96 LEU HD11 H 1 0.555 0.05 . 2 . . . . 96 LEU HD11 . 26854 1 1136 . 1 1 96 96 LEU HD12 H 1 0.555 0.05 . 2 . . . . 96 LEU HD11 . 26854 1 1137 . 1 1 96 96 LEU HD13 H 1 0.555 0.05 . 2 . . . . 96 LEU HD11 . 26854 1 1138 . 1 1 96 96 LEU HD21 H 1 0.420 0.05 . 2 . . . . 96 LEU HD21 . 26854 1 1139 . 1 1 96 96 LEU HD22 H 1 0.420 0.05 . 2 . . . . 96 LEU HD21 . 26854 1 1140 . 1 1 96 96 LEU HD23 H 1 0.420 0.05 . 2 . . . . 96 LEU HD21 . 26854 1 1141 . 1 1 96 96 LEU C C 13 175.430 0.3 . 1 . . . . 96 LEU C . 26854 1 1142 . 1 1 96 96 LEU CA C 13 51.660 0.3 . 1 . . . . 96 LEU CA . 26854 1 1143 . 1 1 96 96 LEU CB C 13 46.601 0.3 . 1 . . . . 96 LEU CB . 26854 1 1144 . 1 1 96 96 LEU CG C 13 26.989 0.3 . 1 . . . . 96 LEU CG . 26854 1 1145 . 1 1 96 96 LEU CD1 C 13 27.135 0.3 . 2 . . . . 96 LEU CD1 . 26854 1 1146 . 1 1 96 96 LEU CD2 C 13 25.273 0.3 . 2 . . . . 96 LEU CD2 . 26854 1 1147 . 1 1 96 96 LEU N N 15 127.154 0.3 . 1 . . . . 96 LEU N . 26854 1 1148 . 1 1 97 97 GLN H H 1 8.899 0.05 . 1 . . . . 97 GLN HN . 26854 1 1149 . 1 1 97 97 GLN HA H 1 4.824 0.05 . 1 . . . . 97 GLN HA . 26854 1 1150 . 1 1 97 97 GLN HB3 H 1 2.186 0.05 . 1 . . . . 97 GLN HB3 . 26854 1 1151 . 1 1 97 97 GLN HG2 H 1 2.040 0.05 . 1 . . . . 97 GLN HG2 . 26854 1 1152 . 1 1 97 97 GLN HG3 H 1 2.198 0.05 . 1 . . . . 97 GLN HG3 . 26854 1 1153 . 1 1 97 97 GLN HE21 H 1 8.776 0.05 . 1 . . . . 97 GLN HE21 . 26854 1 1154 . 1 1 97 97 GLN HE22 H 1 7.100 0.05 . 1 . . . . 97 GLN HE22 . 26854 1 1155 . 1 1 97 97 GLN C C 13 172.222 0.3 . 1 . . . . 97 GLN C . 26854 1 1156 . 1 1 97 97 GLN CA C 13 53.486 0.3 . 1 . . . . 97 GLN CA . 26854 1 1157 . 1 1 97 97 GLN CB C 13 32.146 0.3 . 1 . . . . 97 GLN CB . 26854 1 1158 . 1 1 97 97 GLN CG C 13 32.220 0.3 . 1 . . . . 97 GLN CG . 26854 1 1159 . 1 1 97 97 GLN N N 15 117.328 0.3 . 1 . . . . 97 GLN N . 26854 1 1160 . 1 1 97 97 GLN NE2 N 15 116.756 0.3 . 1 . . . . 97 GLN NE2 . 26854 1 1161 . 1 1 98 98 PRO HA H 1 4.408 0.05 . 1 . . . . 98 PRO HA . 26854 1 1162 . 1 1 98 98 PRO HB2 H 1 1.491 0.05 . 1 . . . . 98 PRO HB2 . 26854 1 1163 . 1 1 98 98 PRO HB3 H 1 1.670 0.05 . 1 . . . . 98 PRO HB3 . 26854 1 1164 . 1 1 98 98 PRO HG2 H 1 1.754 0.05 . 1 . . . . 98 PRO HG2 . 26854 1 1165 . 1 1 98 98 PRO HG3 H 1 1.981 0.05 . 1 . . . . 98 PRO HG3 . 26854 1 1166 . 1 1 98 98 PRO HD2 H 1 3.446 0.05 . 1 . . . . 98 PRO HD2 . 26854 1 1167 . 1 1 98 98 PRO HD3 H 1 3.776 0.05 . 1 . . . . 98 PRO HD3 . 26854 1 1168 . 1 1 98 98 PRO C C 13 175.610 0.3 . 1 . . . . 98 PRO C . 26854 1 1169 . 1 1 98 98 PRO CA C 13 62.199 0.3 . 1 . . . . 98 PRO CA . 26854 1 1170 . 1 1 98 98 PRO CB C 13 33.070 0.3 . 1 . . . . 98 PRO CB . 26854 1 1171 . 1 1 98 98 PRO CG C 13 26.520 0.3 . 1 . . . . 98 PRO CG . 26854 1 1172 . 1 1 98 98 PRO CD C 13 50.500 0.3 . 1 . . . . 98 PRO CD . 26854 1 1173 . 1 1 99 99 MET H H 1 8.980 0.05 . 1 . . . . 99 MET HN . 26854 1 1174 . 1 1 99 99 MET HA H 1 4.658 0.05 . 1 . . . . 99 MET HA . 26854 1 1175 . 1 1 99 99 MET HB2 H 1 1.814 0.05 . 1 . . . . 99 MET HB2 . 26854 1 1176 . 1 1 99 99 MET HB3 H 1 2.184 0.05 . 1 . . . . 99 MET HB3 . 26854 1 1177 . 1 1 99 99 MET HG2 H 1 2.447 0.05 . 1 . . . . 99 MET HG2 . 26854 1 1178 . 1 1 99 99 MET HG3 H 1 2.656 0.05 . 1 . . . . 99 MET HG3 . 26854 1 1179 . 1 1 99 99 MET HE1 H 1 1.967 0.05 . 1 . . . . 99 MET HE3 . 26854 1 1180 . 1 1 99 99 MET HE2 H 1 1.967 0.05 . 1 . . . . 99 MET HE3 . 26854 1 1181 . 1 1 99 99 MET HE3 H 1 1.967 0.05 . 1 . . . . 99 MET HE3 . 26854 1 1182 . 1 1 99 99 MET C C 13 174.907 0.3 . 1 . . . . 99 MET C . 26854 1 1183 . 1 1 99 99 MET CA C 13 55.631 0.3 . 1 . . . . 99 MET CA . 26854 1 1184 . 1 1 99 99 MET CB C 13 35.619 0.3 . 1 . . . . 99 MET CB . 26854 1 1185 . 1 1 99 99 MET CG C 13 31.452 0.3 . 1 . . . . 99 MET CG . 26854 1 1186 . 1 1 99 99 MET CE C 13 17.477 0.3 . 1 . . . . 99 MET CE . 26854 1 1187 . 1 1 99 99 MET N N 15 123.650 0.3 . 1 . . . . 99 MET N . 26854 1 1188 . 1 1 100 100 ARG H H 1 9.259 0.05 . 1 . . . . 100 ARG HN . 26854 1 1189 . 1 1 100 100 ARG HA H 1 5.132 0.05 . 1 . . . . 100 ARG HA . 26854 1 1190 . 1 1 100 100 ARG HB2 H 1 1.484 0.05 . 1 . . . . 100 ARG HB2 . 26854 1 1191 . 1 1 100 100 ARG HB3 H 1 1.597 0.05 . 1 . . . . 100 ARG HB3 . 26854 1 1192 . 1 1 100 100 ARG HG2 H 1 1.120 0.05 . 1 . . . . 100 ARG HG2 . 26854 1 1193 . 1 1 100 100 ARG HG3 H 1 1.338 0.05 . 1 . . . . 100 ARG HG3 . 26854 1 1194 . 1 1 100 100 ARG HD3 H 1 3.071 0.05 . 1 . . . . 100 ARG HD3 . 26854 1 1195 . 1 1 100 100 ARG HE H 1 7.302 0.05 . 1 . . . . 100 ARG HE . 26854 1 1196 . 1 1 100 100 ARG C C 13 176.420 0.3 . 1 . . . . 100 ARG C . 26854 1 1197 . 1 1 100 100 ARG CA C 13 54.697 0.3 . 1 . . . . 100 ARG CA . 26854 1 1198 . 1 1 100 100 ARG CB C 13 33.324 0.3 . 1 . . . . 100 ARG CB . 26854 1 1199 . 1 1 100 100 ARG CG C 13 29.405 0.3 . 1 . . . . 100 ARG CG . 26854 1 1200 . 1 1 100 100 ARG CD C 13 43.028 0.3 . 1 . . . . 100 ARG CD . 26854 1 1201 . 1 1 100 100 ARG N N 15 126.640 0.3 . 1 . . . . 100 ARG N . 26854 1 1202 . 1 1 100 100 ARG NE N 15 84.919 0.3 . 1 . . . . 100 ARG NE . 26854 1 1203 . 1 1 101 101 ASP H H 1 8.587 0.05 . 1 . . . . 101 ASP HN . 26854 1 1204 . 1 1 101 101 ASP HA H 1 4.659 0.05 . 1 . . . . 101 ASP HA . 26854 1 1205 . 1 1 101 101 ASP HB2 H 1 2.549 0.05 . 1 . . . . 101 ASP HB2 . 26854 1 1206 . 1 1 101 101 ASP HB3 H 1 3.292 0.05 . 1 . . . . 101 ASP HB3 . 26854 1 1207 . 1 1 101 101 ASP C C 13 178.509 0.3 . 1 . . . . 101 ASP C . 26854 1 1208 . 1 1 101 101 ASP CA C 13 52.131 0.3 . 1 . . . . 101 ASP CA . 26854 1 1209 . 1 1 101 101 ASP CB C 13 41.416 0.3 . 1 . . . . 101 ASP CB . 26854 1 1210 . 1 1 101 101 ASP N N 15 120.644 0.3 . 1 . . . . 101 ASP N . 26854 1 1211 . 1 1 102 102 GLN H H 1 8.598 0.05 . 1 . . . . 102 GLN HN . 26854 1 1212 . 1 1 102 102 GLN HA H 1 4.097 0.05 . 1 . . . . 102 GLN HA . 26854 1 1213 . 1 1 102 102 GLN HB3 H 1 2.116 0.05 . 1 . . . . 102 GLN HB3 . 26854 1 1214 . 1 1 102 102 GLN HG3 H 1 2.456 0.05 . 1 . . . . 102 GLN HG3 . 26854 1 1215 . 1 1 102 102 GLN HE21 H 1 7.639 0.05 . 1 . . . . 102 GLN HE21 . 26854 1 1216 . 1 1 102 102 GLN HE22 H 1 6.937 0.05 . 1 . . . . 102 GLN HE22 . 26854 1 1217 . 1 1 102 102 GLN C C 13 177.146 0.3 . 1 . . . . 102 GLN C . 26854 1 1218 . 1 1 102 102 GLN CA C 13 58.460 0.3 . 1 . . . . 102 GLN CA . 26854 1 1219 . 1 1 102 102 GLN CB C 13 28.030 0.3 . 1 . . . . 102 GLN CB . 26854 1 1220 . 1 1 102 102 GLN CG C 13 33.860 0.3 . 1 . . . . 102 GLN CG . 26854 1 1221 . 1 1 102 102 GLN N N 15 116.946 0.3 . 1 . . . . 102 GLN N . 26854 1 1222 . 1 1 102 102 GLN NE2 N 15 112.456 0.3 . 1 . . . . 102 GLN NE2 . 26854 1 1223 . 1 1 103 103 LYS H H 1 7.851 0.05 . 1 . . . . 103 LYS HN . 26854 1 1224 . 1 1 103 103 LYS HA H 1 4.379 0.05 . 1 . . . . 103 LYS HA . 26854 1 1225 . 1 1 103 103 LYS HB2 H 1 1.905 0.05 . 1 . . . . 103 LYS HB2 . 26854 1 1226 . 1 1 103 103 LYS HB3 H 1 1.976 0.05 . 1 . . . . 103 LYS HB3 . 26854 1 1227 . 1 1 103 103 LYS HG3 H 1 1.423 0.05 . 1 . . . . 103 LYS HG3 . 26854 1 1228 . 1 1 103 103 LYS HD3 H 1 1.657 0.05 . 1 . . . . 103 LYS HD3 . 26854 1 1229 . 1 1 103 103 LYS HE3 H 1 2.987 0.05 . 1 . . . . 103 LYS HE3 . 26854 1 1230 . 1 1 103 103 LYS C C 13 176.705 0.3 . 1 . . . . 103 LYS C . 26854 1 1231 . 1 1 103 103 LYS CA C 13 56.052 0.3 . 1 . . . . 103 LYS CA . 26854 1 1232 . 1 1 103 103 LYS CB C 13 32.337 0.3 . 1 . . . . 103 LYS CB . 26854 1 1233 . 1 1 103 103 LYS CG C 13 25.021 0.3 . 1 . . . . 103 LYS CG . 26854 1 1234 . 1 1 103 103 LYS CD C 13 28.856 0.3 . 1 . . . . 103 LYS CD . 26854 1 1235 . 1 1 103 103 LYS CE C 13 42.040 0.3 . 1 . . . . 103 LYS CE . 26854 1 1236 . 1 1 103 103 LYS N N 15 117.567 0.3 . 1 . . . . 103 LYS N . 26854 1 1237 . 1 1 104 104 GLY H H 1 7.986 0.05 . 1 . . . . 104 GLY HN . 26854 1 1238 . 1 1 104 104 GLY HA2 H 1 3.568 0.05 . 1 . . . . 104 GLY HA2 . 26854 1 1239 . 1 1 104 104 GLY HA3 H 1 4.353 0.05 . 1 . . . . 104 GLY HA3 . 26854 1 1240 . 1 1 104 104 GLY C C 13 174.000 0.3 . 1 . . . . 104 GLY C . 26854 1 1241 . 1 1 104 104 GLY CA C 13 45.063 0.3 . 1 . . . . 104 GLY CA . 26854 1 1242 . 1 1 104 104 GLY N N 15 107.820 0.3 . 1 . . . . 104 GLY N . 26854 1 1243 . 1 1 105 105 ASP H H 1 8.442 0.05 . 1 . . . . 105 ASP HN . 26854 1 1244 . 1 1 105 105 ASP HA H 1 4.767 0.05 . 1 . . . . 105 ASP HA . 26854 1 1245 . 1 1 105 105 ASP HB2 H 1 2.457 0.05 . 1 . . . . 105 ASP HB2 . 26854 1 1246 . 1 1 105 105 ASP HB3 H 1 2.665 0.05 . 1 . . . . 105 ASP HB3 . 26854 1 1247 . 1 1 105 105 ASP C C 13 176.305 0.3 . 1 . . . . 105 ASP C . 26854 1 1248 . 1 1 105 105 ASP CA C 13 53.826 0.3 . 1 . . . . 105 ASP CA . 26854 1 1249 . 1 1 105 105 ASP CB C 13 41.171 0.3 . 1 . . . . 105 ASP CB . 26854 1 1250 . 1 1 105 105 ASP N N 15 123.774 0.3 . 1 . . . . 105 ASP N . 26854 1 1251 . 1 1 106 106 VAL H H 1 8.821 0.05 . 1 . . . . 106 VAL HN . 26854 1 1252 . 1 1 106 106 VAL HA H 1 3.524 0.05 . 1 . . . . 106 VAL HA . 26854 1 1253 . 1 1 106 106 VAL HB H 1 1.829 0.05 . 1 . . . . 106 VAL HB . 26854 1 1254 . 1 1 106 106 VAL HG11 H 1 0.741 0.05 . 2 . . . . 106 VAL HG13 . 26854 1 1255 . 1 1 106 106 VAL HG12 H 1 0.741 0.05 . 2 . . . . 106 VAL HG13 . 26854 1 1256 . 1 1 106 106 VAL HG13 H 1 0.741 0.05 . 2 . . . . 106 VAL HG13 . 26854 1 1257 . 1 1 106 106 VAL HG21 H 1 0.277 0.05 . 2 . . . . 106 VAL HG21 . 26854 1 1258 . 1 1 106 106 VAL HG22 H 1 0.277 0.05 . 2 . . . . 106 VAL HG21 . 26854 1 1259 . 1 1 106 106 VAL HG23 H 1 0.277 0.05 . 2 . . . . 106 VAL HG21 . 26854 1 1260 . 1 1 106 106 VAL C C 13 175.145 0.3 . 1 . . . . 106 VAL C . 26854 1 1261 . 1 1 106 106 VAL CA C 13 65.023 0.3 . 1 . . . . 106 VAL CA . 26854 1 1262 . 1 1 106 106 VAL CB C 13 31.451 0.3 . 1 . . . . 106 VAL CB . 26854 1 1263 . 1 1 106 106 VAL CG1 C 13 23.316 0.3 . 2 . . . . 106 VAL CG1 . 26854 1 1264 . 1 1 106 106 VAL CG2 C 13 21.577 0.3 . 2 . . . . 106 VAL CG2 . 26854 1 1265 . 1 1 106 106 VAL N N 15 121.821 0.3 . 1 . . . . 106 VAL N . 26854 1 1266 . 1 1 107 107 GLN H H 1 8.803 0.05 . 1 . . . . 107 GLN HN . 26854 1 1267 . 1 1 107 107 GLN HA H 1 4.073 0.05 . 1 . . . . 107 GLN HA . 26854 1 1268 . 1 1 107 107 GLN HB2 H 1 1.586 0.05 . 1 . . . . 107 GLN HB2 . 26854 1 1269 . 1 1 107 107 GLN HB3 H 1 1.962 0.05 . 1 . . . . 107 GLN HB3 . 26854 1 1270 . 1 1 107 107 GLN HG2 H 1 1.662 0.05 . 1 . . . . 107 GLN HG2 . 26854 1 1271 . 1 1 107 107 GLN HG3 H 1 2.050 0.05 . 1 . . . . 107 GLN HG3 . 26854 1 1272 . 1 1 107 107 GLN HE21 H 1 6.950 0.05 . 1 . . . . 107 GLN HE21 . 26854 1 1273 . 1 1 107 107 GLN HE22 H 1 6.771 0.05 . 1 . . . . 107 GLN HE22 . 26854 1 1274 . 1 1 107 107 GLN C C 13 172.432 0.3 . 1 . . . . 107 GLN C . 26854 1 1275 . 1 1 107 107 GLN CA C 13 56.327 0.3 . 1 . . . . 107 GLN CA . 26854 1 1276 . 1 1 107 107 GLN CB C 13 31.636 0.3 . 1 . . . . 107 GLN CB . 26854 1 1277 . 1 1 107 107 GLN CG C 13 33.406 0.3 . 1 . . . . 107 GLN CG . 26854 1 1278 . 1 1 107 107 GLN N N 15 128.470 0.3 . 1 . . . . 107 GLN N . 26854 1 1279 . 1 1 107 107 GLN NE2 N 15 110.783 0.3 . 1 . . . . 107 GLN NE2 . 26854 1 1280 . 1 1 108 108 TYR H H 1 7.345 0.05 . 1 . . . . 108 TYR HN . 26854 1 1281 . 1 1 108 108 TYR HA H 1 5.537 0.05 . 1 . . . . 108 TYR HA . 26854 1 1282 . 1 1 108 108 TYR HB2 H 1 2.481 0.05 . 1 . . . . 108 TYR HB2 . 26854 1 1283 . 1 1 108 108 TYR HB3 H 1 3.560 0.05 . 1 . . . . 108 TYR HB3 . 26854 1 1284 . 1 1 108 108 TYR HD1 H 1 7.172 0.05 . 3 . . . . 108 TYR HD1 . 26854 1 1285 . 1 1 108 108 TYR HE1 H 1 6.658 0.05 . 3 . . . . 108 TYR HE1 . 26854 1 1286 . 1 1 108 108 TYR C C 13 175.155 0.3 . 1 . . . . 108 TYR C . 26854 1 1287 . 1 1 108 108 TYR CA C 13 55.540 0.3 . 1 . . . . 108 TYR CA . 26854 1 1288 . 1 1 108 108 TYR CB C 13 44.171 0.3 . 1 . . . . 108 TYR CB . 26854 1 1289 . 1 1 108 108 TYR CD1 C 13 133.950 0.3 . 3 . . . . 108 TYR CD1 . 26854 1 1290 . 1 1 108 108 TYR CE1 C 13 117.948 0.3 . 3 . . . . 108 TYR CE1 . 26854 1 1291 . 1 1 108 108 TYR N N 15 108.740 0.3 . 1 . . . . 108 TYR N . 26854 1 1292 . 1 1 109 109 PHE H H 1 8.745 0.05 . 1 . . . . 109 PHE HN . 26854 1 1293 . 1 1 109 109 PHE HA H 1 5.003 0.05 . 1 . . . . 109 PHE HA . 26854 1 1294 . 1 1 109 109 PHE HB2 H 1 2.875 0.05 . 1 . . . . 109 PHE HB2 . 26854 1 1295 . 1 1 109 109 PHE HB3 H 1 3.545 0.05 . 1 . . . . 109 PHE HB3 . 26854 1 1296 . 1 1 109 109 PHE HD1 H 1 7.000 0.05 . 3 . . . . 109 PHE HD1 . 26854 1 1297 . 1 1 109 109 PHE HE1 H 1 7.367 0.05 . 3 . . . . 109 PHE HE1 . 26854 1 1298 . 1 1 109 109 PHE HZ H 1 7.630 0.05 . 1 . . . . 109 PHE HZ . 26854 1 1299 . 1 1 109 109 PHE C C 13 173.873 0.3 . 1 . . . . 109 PHE C . 26854 1 1300 . 1 1 109 109 PHE CA C 13 58.958 0.3 . 1 . . . . 109 PHE CA . 26854 1 1301 . 1 1 109 109 PHE CB C 13 43.443 0.3 . 1 . . . . 109 PHE CB . 26854 1 1302 . 1 1 109 109 PHE CD1 C 13 130.996 0.3 . 3 . . . . 109 PHE CD1 . 26854 1 1303 . 1 1 109 109 PHE CE1 C 13 131.153 0.3 . 3 . . . . 109 PHE CE1 . 26854 1 1304 . 1 1 109 109 PHE CZ C 13 130.764 0.3 . 1 . . . . 109 PHE CZ . 26854 1 1305 . 1 1 109 109 PHE N N 15 115.174 0.3 . 1 . . . . 109 PHE N . 26854 1 1306 . 1 1 110 110 ILE H H 1 8.814 0.05 . 1 . . . . 110 ILE HN . 26854 1 1307 . 1 1 110 110 ILE HA H 1 4.828 0.05 . 1 . . . . 110 ILE HA . 26854 1 1308 . 1 1 110 110 ILE HB H 1 1.826 0.05 . 1 . . . . 110 ILE HB . 26854 1 1309 . 1 1 110 110 ILE HG13 H 1 1.685 0.05 . 1 . . . . 110 ILE HG13 . 26854 1 1310 . 1 1 110 110 ILE HG21 H 1 0.945 0.05 . 1 . . . . 110 ILE HG21 . 26854 1 1311 . 1 1 110 110 ILE HG22 H 1 0.945 0.05 . 1 . . . . 110 ILE HG21 . 26854 1 1312 . 1 1 110 110 ILE HG23 H 1 0.945 0.05 . 1 . . . . 110 ILE HG21 . 26854 1 1313 . 1 1 110 110 ILE HD11 H 1 0.941 0.05 . 1 . . . . 110 ILE HD11 . 26854 1 1314 . 1 1 110 110 ILE HD12 H 1 0.941 0.05 . 1 . . . . 110 ILE HD11 . 26854 1 1315 . 1 1 110 110 ILE HD13 H 1 0.941 0.05 . 1 . . . . 110 ILE HD11 . 26854 1 1316 . 1 1 110 110 ILE C C 13 175.228 0.3 . 1 . . . . 110 ILE C . 26854 1 1317 . 1 1 110 110 ILE CA C 13 60.657 0.3 . 1 . . . . 110 ILE CA . 26854 1 1318 . 1 1 110 110 ILE CB C 13 41.303 0.3 . 1 . . . . 110 ILE CB . 26854 1 1319 . 1 1 110 110 ILE CG1 C 13 28.770 0.3 . 1 . . . . 110 ILE CG1 . 26854 1 1320 . 1 1 110 110 ILE CG2 C 13 18.555 0.3 . 1 . . . . 110 ILE CG2 . 26854 1 1321 . 1 1 110 110 ILE CD1 C 13 14.409 0.3 . 1 . . . . 110 ILE CD1 . 26854 1 1322 . 1 1 110 110 ILE N N 15 119.789 0.3 . 1 . . . . 110 ILE N . 26854 1 1323 . 1 1 111 111 GLY H H 1 9.287 0.05 . 1 . . . . 111 GLY HN . 26854 1 1324 . 1 1 111 111 GLY HA2 H 1 3.704 0.05 . 1 . . . . 111 GLY HA2 . 26854 1 1325 . 1 1 111 111 GLY HA3 H 1 5.488 0.05 . 1 . . . . 111 GLY HA3 . 26854 1 1326 . 1 1 111 111 GLY C C 13 170.742 0.3 . 1 . . . . 111 GLY C . 26854 1 1327 . 1 1 111 111 GLY CA C 13 45.454 0.3 . 1 . . . . 111 GLY CA . 26854 1 1328 . 1 1 111 111 GLY N N 15 115.095 0.3 . 1 . . . . 111 GLY N . 26854 1 1329 . 1 1 112 112 VAL H H 1 9.141 0.05 . 1 . . . . 112 VAL HN . 26854 1 1330 . 1 1 112 112 VAL HA H 1 4.932 0.05 . 1 . . . . 112 VAL HA . 26854 1 1331 . 1 1 112 112 VAL HB H 1 1.921 0.05 . 1 . . . . 112 VAL HB . 26854 1 1332 . 1 1 112 112 VAL HG11 H 1 1.251 0.05 . 2 . . . . 112 VAL HG13 . 26854 1 1333 . 1 1 112 112 VAL HG12 H 1 1.251 0.05 . 2 . . . . 112 VAL HG13 . 26854 1 1334 . 1 1 112 112 VAL HG13 H 1 1.251 0.05 . 2 . . . . 112 VAL HG13 . 26854 1 1335 . 1 1 112 112 VAL HG21 H 1 0.954 0.05 . 2 . . . . 112 VAL HG21 . 26854 1 1336 . 1 1 112 112 VAL HG22 H 1 0.954 0.05 . 2 . . . . 112 VAL HG21 . 26854 1 1337 . 1 1 112 112 VAL HG23 H 1 0.954 0.05 . 2 . . . . 112 VAL HG21 . 26854 1 1338 . 1 1 112 112 VAL C C 13 174.094 0.3 . 1 . . . . 112 VAL C . 26854 1 1339 . 1 1 112 112 VAL CA C 13 61.297 0.3 . 1 . . . . 112 VAL CA . 26854 1 1340 . 1 1 112 112 VAL CB C 13 35.751 0.3 . 1 . . . . 112 VAL CB . 26854 1 1341 . 1 1 112 112 VAL CG1 C 13 22.015 0.3 . 2 . . . . 112 VAL CG1 . 26854 1 1342 . 1 1 112 112 VAL CG2 C 13 21.938 0.3 . 2 . . . . 112 VAL CG2 . 26854 1 1343 . 1 1 112 112 VAL N N 15 125.313 0.3 . 1 . . . . 112 VAL N . 26854 1 1344 . 1 1 113 113 GLN H H 1 7.814 0.05 . 1 . . . . 113 GLN HN . 26854 1 1345 . 1 1 113 113 GLN HA H 1 5.449 0.05 . 1 . . . . 113 GLN HA . 26854 1 1346 . 1 1 113 113 GLN HB2 H 1 1.790 0.05 . 1 . . . . 113 GLN HB2 . 26854 1 1347 . 1 1 113 113 GLN HB3 H 1 2.581 0.05 . 1 . . . . 113 GLN HB3 . 26854 1 1348 . 1 1 113 113 GLN HG3 H 1 2.824 0.05 . 1 . . . . 113 GLN HG3 . 26854 1 1349 . 1 1 113 113 GLN HE21 H 1 7.755 0.05 . 1 . . . . 113 GLN HE21 . 26854 1 1350 . 1 1 113 113 GLN HE22 H 1 5.116 0.05 . 1 . . . . 113 GLN HE22 . 26854 1 1351 . 1 1 113 113 GLN C C 13 175.855 0.3 . 1 . . . . 113 GLN C . 26854 1 1352 . 1 1 113 113 GLN CA C 13 56.922 0.3 . 1 . . . . 113 GLN CA . 26854 1 1353 . 1 1 113 113 GLN CB C 13 28.000 0.3 . 1 . . . . 113 GLN CB . 26854 1 1354 . 1 1 113 113 GLN CG C 13 35.642 0.3 . 1 . . . . 113 GLN CG . 26854 1 1355 . 1 1 113 113 GLN N N 15 124.199 0.3 . 1 . . . . 113 GLN N . 26854 1 1356 . 1 1 113 113 GLN NE2 N 15 125.310 0.3 . 1 . . . . 113 GLN NE2 . 26854 1 1357 . 1 1 114 114 LEU H H 1 9.665 0.05 . 1 . . . . 114 LEU HN . 26854 1 1358 . 1 1 114 114 LEU HA H 1 4.895 0.05 . 1 . . . . 114 LEU HA . 26854 1 1359 . 1 1 114 114 LEU HB2 H 1 1.466 0.05 . 1 . . . . 114 LEU HB2 . 26854 1 1360 . 1 1 114 114 LEU HB3 H 1 2.348 0.05 . 1 . . . . 114 LEU HB3 . 26854 1 1361 . 1 1 114 114 LEU HG H 1 1.614 0.05 . 1 . . . . 114 LEU HG . 26854 1 1362 . 1 1 114 114 LEU HD11 H 1 1.007 0.05 . 2 . . . . 114 LEU HD11 . 26854 1 1363 . 1 1 114 114 LEU HD12 H 1 1.007 0.05 . 2 . . . . 114 LEU HD11 . 26854 1 1364 . 1 1 114 114 LEU HD13 H 1 1.007 0.05 . 2 . . . . 114 LEU HD11 . 26854 1 1365 . 1 1 114 114 LEU HD21 H 1 1.008 0.05 . 2 . . . . 114 LEU HD21 . 26854 1 1366 . 1 1 114 114 LEU HD22 H 1 1.008 0.05 . 2 . . . . 114 LEU HD21 . 26854 1 1367 . 1 1 114 114 LEU HD23 H 1 1.008 0.05 . 2 . . . . 114 LEU HD21 . 26854 1 1368 . 1 1 114 114 LEU C C 13 175.259 0.3 . 1 . . . . 114 LEU C . 26854 1 1369 . 1 1 114 114 LEU CA C 13 54.866 0.3 . 1 . . . . 114 LEU CA . 26854 1 1370 . 1 1 114 114 LEU CB C 13 43.057 0.3 . 1 . . . . 114 LEU CB . 26854 1 1371 . 1 1 114 114 LEU CG C 13 27.590 0.3 . 1 . . . . 114 LEU CG . 26854 1 1372 . 1 1 114 114 LEU CD1 C 13 24.662 0.3 . 2 . . . . 114 LEU CD1 . 26854 1 1373 . 1 1 114 114 LEU CD2 C 13 25.902 0.3 . 2 . . . . 114 LEU CD2 . 26854 1 1374 . 1 1 114 114 LEU N N 15 130.639 0.3 . 1 . . . . 114 LEU N . 26854 1 1375 . 1 1 115 115 ASP H H 1 9.318 0.05 . 1 . . . . 115 ASP HN . 26854 1 1376 . 1 1 115 115 ASP HA H 1 5.584 0.05 . 1 . . . . 115 ASP HA . 26854 1 1377 . 1 1 115 115 ASP HB2 H 1 2.195 0.05 . 1 . . . . 115 ASP HB2 . 26854 1 1378 . 1 1 115 115 ASP HB3 H 1 2.325 0.05 . 1 . . . . 115 ASP HB3 . 26854 1 1379 . 1 1 115 115 ASP C C 13 175.306 0.3 . 1 . . . . 115 ASP C . 26854 1 1380 . 1 1 115 115 ASP CA C 13 53.121 0.3 . 1 . . . . 115 ASP CA . 26854 1 1381 . 1 1 115 115 ASP CB C 13 43.432 0.3 . 1 . . . . 115 ASP CB . 26854 1 1382 . 1 1 115 115 ASP N N 15 124.828 0.3 . 1 . . . . 115 ASP N . 26854 1 1383 . 1 1 116 116 GLY H H 1 9.301 0.05 . 1 . . . . 116 GLY HN . 26854 1 1384 . 1 1 116 116 GLY HA2 H 1 4.179 0.05 . 1 . . . . 116 GLY HA2 . 26854 1 1385 . 1 1 116 116 GLY HA3 H 1 4.656 0.05 . 1 . . . . 116 GLY HA3 . 26854 1 1386 . 1 1 116 116 GLY C C 13 174.245 0.3 . 1 . . . . 116 GLY C . 26854 1 1387 . 1 1 116 116 GLY CA C 13 45.066 0.3 . 1 . . . . 116 GLY CA . 26854 1 1388 . 1 1 116 116 GLY N N 15 109.084 0.3 . 1 . . . . 116 GLY N . 26854 1 1389 . 1 1 117 117 THR H H 1 8.731 0.05 . 1 . . . . 117 THR HN . 26854 1 1390 . 1 1 117 117 THR HA H 1 4.743 0.05 . 1 . . . . 117 THR HA . 26854 1 1391 . 1 1 117 117 THR HB H 1 4.502 0.05 . 1 . . . . 117 THR HB . 26854 1 1392 . 1 1 117 117 THR HG21 H 1 1.331 0.05 . 1 . . . . 117 THR HG21 . 26854 1 1393 . 1 1 117 117 THR HG22 H 1 1.331 0.05 . 1 . . . . 117 THR HG21 . 26854 1 1394 . 1 1 117 117 THR HG23 H 1 1.331 0.05 . 1 . . . . 117 THR HG21 . 26854 1 1395 . 1 1 117 117 THR C C 13 174.934 0.3 . 1 . . . . 117 THR C . 26854 1 1396 . 1 1 117 117 THR CA C 13 62.432 0.3 . 1 . . . . 117 THR CA . 26854 1 1397 . 1 1 117 117 THR CB C 13 69.612 0.3 . 1 . . . . 117 THR CB . 26854 1 1398 . 1 1 117 117 THR CG2 C 13 22.175 0.3 . 1 . . . . 117 THR CG2 . 26854 1 1399 . 1 1 117 117 THR N N 15 110.455 0.3 . 1 . . . . 117 THR N . 26854 1 1400 . 1 1 118 118 GLU H H 1 7.742 0.05 . 1 . . . . 118 GLU HN . 26854 1 1401 . 1 1 118 118 GLU HA H 1 4.336 0.05 . 1 . . . . 118 GLU HA . 26854 1 1402 . 1 1 118 118 GLU HB2 H 1 1.640 0.05 . 1 . . . . 118 GLU HB2 . 26854 1 1403 . 1 1 118 118 GLU HB3 H 1 1.906 0.05 . 1 . . . . 118 GLU HB3 . 26854 1 1404 . 1 1 118 118 GLU HG2 H 1 2.002 0.05 . 1 . . . . 118 GLU HG2 . 26854 1 1405 . 1 1 118 118 GLU HG3 H 1 2.091 0.05 . 1 . . . . 118 GLU HG3 . 26854 1 1406 . 1 1 118 118 GLU C C 13 173.681 0.3 . 1 . . . . 118 GLU C . 26854 1 1407 . 1 1 118 118 GLU CA C 13 54.345 0.3 . 1 . . . . 118 GLU CA . 26854 1 1408 . 1 1 118 118 GLU CB C 13 32.873 0.3 . 1 . . . . 118 GLU CB . 26854 1 1409 . 1 1 118 118 GLU CG C 13 34.863 0.3 . 1 . . . . 118 GLU CG . 26854 1 1410 . 1 1 118 118 GLU N N 15 118.562 0.3 . 1 . . . . 118 GLU N . 26854 1 1411 . 1 1 119 119 HIS H H 1 7.793 0.05 . 1 . . . . 119 HIS HN . 26854 1 1412 . 1 1 119 119 HIS HA H 1 3.287 0.05 . 1 . . . . 119 HIS HA . 26854 1 1413 . 1 1 119 119 HIS HB2 H 1 1.224 0.05 . 1 . . . . 119 HIS HB2 . 26854 1 1414 . 1 1 119 119 HIS HB3 H 1 2.310 0.05 . 1 . . . . 119 HIS HB3 . 26854 1 1415 . 1 1 119 119 HIS HD2 H 1 6.588 0.05 . 1 . . . . 119 HIS HD2 . 26854 1 1416 . 1 1 119 119 HIS C C 13 174.692 0.3 . 1 . . . . 119 HIS C . 26854 1 1417 . 1 1 119 119 HIS CA C 13 55.685 0.3 . 1 . . . . 119 HIS CA . 26854 1 1418 . 1 1 119 119 HIS CB C 13 27.472 0.3 . 1 . . . . 119 HIS CB . 26854 1 1419 . 1 1 119 119 HIS CD2 C 13 119.760 0.3 . 1 . . . . 119 HIS CD2 . 26854 1 1420 . 1 1 119 119 HIS N N 15 120.519 0.3 . 1 . . . . 119 HIS N . 26854 1 1421 . 1 1 120 120 VAL H H 1 8.700 0.05 . 1 . . . . 120 VAL HN . 26854 1 1422 . 1 1 120 120 VAL HA H 1 4.434 0.05 . 1 . . . . 120 VAL HA . 26854 1 1423 . 1 1 120 120 VAL HB H 1 1.878 0.05 . 1 . . . . 120 VAL HB . 26854 1 1424 . 1 1 120 120 VAL HG11 H 1 0.841 0.05 . 2 . . . . 120 VAL HG13 . 26854 1 1425 . 1 1 120 120 VAL HG12 H 1 0.841 0.05 . 2 . . . . 120 VAL HG13 . 26854 1 1426 . 1 1 120 120 VAL HG13 H 1 0.841 0.05 . 2 . . . . 120 VAL HG13 . 26854 1 1427 . 1 1 120 120 VAL HG21 H 1 0.681 0.05 . 2 . . . . 120 VAL HG21 . 26854 1 1428 . 1 1 120 120 VAL HG22 H 1 0.681 0.05 . 2 . . . . 120 VAL HG21 . 26854 1 1429 . 1 1 120 120 VAL HG23 H 1 0.681 0.05 . 2 . . . . 120 VAL HG21 . 26854 1 1430 . 1 1 120 120 VAL C C 13 174.870 0.3 . 1 . . . . 120 VAL C . 26854 1 1431 . 1 1 120 120 VAL CA C 13 60.691 0.3 . 1 . . . . 120 VAL CA . 26854 1 1432 . 1 1 120 120 VAL CB C 13 34.092 0.3 . 1 . . . . 120 VAL CB . 26854 1 1433 . 1 1 120 120 VAL CG1 C 13 21.766 0.3 . 2 . . . . 120 VAL CG1 . 26854 1 1434 . 1 1 120 120 VAL CG2 C 13 25.788 0.3 . 2 . . . . 120 VAL CG2 . 26854 1 1435 . 1 1 120 120 VAL N N 15 123.730 0.3 . 1 . . . . 120 VAL N . 26854 1 1436 . 1 1 121 121 ARG H H 1 8.425 0.05 . 1 . . . . 121 ARG HN . 26854 1 1437 . 1 1 121 121 ARG HA H 1 4.791 0.05 . 1 . . . . 121 ARG HA . 26854 1 1438 . 1 1 121 121 ARG HB2 H 1 1.719 0.05 . 1 . . . . 121 ARG HB2 . 26854 1 1439 . 1 1 121 121 ARG HB3 H 1 1.762 0.05 . 1 . . . . 121 ARG HB3 . 26854 1 1440 . 1 1 121 121 ARG HG2 H 1 1.359 0.05 . 1 . . . . 121 ARG HG2 . 26854 1 1441 . 1 1 121 121 ARG HG3 H 1 1.538 0.05 . 1 . . . . 121 ARG HG3 . 26854 1 1442 . 1 1 121 121 ARG HD3 H 1 3.119 0.05 . 1 . . . . 121 ARG HD3 . 26854 1 1443 . 1 1 121 121 ARG HE H 1 7.138 0.05 . 1 . . . . 121 ARG HE . 26854 1 1444 . 1 1 121 121 ARG C C 13 175.284 0.3 . 1 . . . . 121 ARG C . 26854 1 1445 . 1 1 121 121 ARG CA C 13 54.225 0.3 . 1 . . . . 121 ARG CA . 26854 1 1446 . 1 1 121 121 ARG CB C 13 34.094 0.3 . 1 . . . . 121 ARG CB . 26854 1 1447 . 1 1 121 121 ARG CG C 13 26.095 0.3 . 1 . . . . 121 ARG CG . 26854 1 1448 . 1 1 121 121 ARG CD C 13 43.377 0.3 . 1 . . . . 121 ARG CD . 26854 1 1449 . 1 1 121 121 ARG N N 15 118.607 0.3 . 1 . . . . 121 ARG N . 26854 1 1450 . 1 1 121 121 ARG NE N 15 84.939 0.3 . 1 . . . . 121 ARG NE . 26854 1 1451 . 1 1 122 122 ASP H H 1 8.982 0.05 . 1 . . . . 122 ASP HN . 26854 1 1452 . 1 1 122 122 ASP HA H 1 4.175 0.05 . 1 . . . . 122 ASP HA . 26854 1 1453 . 1 1 122 122 ASP HB2 H 1 2.801 0.05 . 1 . . . . 122 ASP HB2 . 26854 1 1454 . 1 1 122 122 ASP HB3 H 1 2.950 0.05 . 1 . . . . 122 ASP HB3 . 26854 1 1455 . 1 1 122 122 ASP C C 13 176.682 0.3 . 1 . . . . 122 ASP C . 26854 1 1456 . 1 1 122 122 ASP CA C 13 55.866 0.3 . 1 . . . . 122 ASP CA . 26854 1 1457 . 1 1 122 122 ASP CB C 13 40.433 0.3 . 1 . . . . 122 ASP CB . 26854 1 1458 . 1 1 122 122 ASP N N 15 118.916 0.3 . 1 . . . . 122 ASP N . 26854 1 1459 . 1 1 123 123 ALA H H 1 8.229 0.05 . 1 . . . . 123 ALA HN . 26854 1 1460 . 1 1 123 123 ALA HA H 1 4.002 0.05 . 1 . . . . 123 ALA HA . 26854 1 1461 . 1 1 123 123 ALA HB1 H 1 1.502 0.05 . 1 . . . . 123 ALA HB3 . 26854 1 1462 . 1 1 123 123 ALA HB2 H 1 1.502 0.05 . 1 . . . . 123 ALA HB3 . 26854 1 1463 . 1 1 123 123 ALA HB3 H 1 1.502 0.05 . 1 . . . . 123 ALA HB3 . 26854 1 1464 . 1 1 123 123 ALA C C 13 178.865 0.3 . 1 . . . . 123 ALA C . 26854 1 1465 . 1 1 123 123 ALA CA C 13 56.021 0.3 . 1 . . . . 123 ALA CA . 26854 1 1466 . 1 1 123 123 ALA CB C 13 18.350 0.3 . 1 . . . . 123 ALA CB . 26854 1 1467 . 1 1 123 123 ALA N N 15 126.301 0.3 . 1 . . . . 123 ALA N . 26854 1 1468 . 1 1 124 124 ALA H H 1 8.283 0.05 . 1 . . . . 124 ALA HN . 26854 1 1469 . 1 1 124 124 ALA HA H 1 4.179 0.05 . 1 . . . . 124 ALA HA . 26854 1 1470 . 1 1 124 124 ALA HB1 H 1 1.509 0.05 . 1 . . . . 124 ALA HB3 . 26854 1 1471 . 1 1 124 124 ALA HB2 H 1 1.509 0.05 . 1 . . . . 124 ALA HB3 . 26854 1 1472 . 1 1 124 124 ALA HB3 H 1 1.509 0.05 . 1 . . . . 124 ALA HB3 . 26854 1 1473 . 1 1 124 124 ALA C C 13 181.073 0.3 . 1 . . . . 124 ALA C . 26854 1 1474 . 1 1 124 124 ALA CA C 13 54.870 0.3 . 1 . . . . 124 ALA CA . 26854 1 1475 . 1 1 124 124 ALA CB C 13 18.161 0.3 . 1 . . . . 124 ALA CB . 26854 1 1476 . 1 1 124 124 ALA N N 15 120.289 0.3 . 1 . . . . 124 ALA N . 26854 1 1477 . 1 1 125 125 GLU H H 1 7.040 0.05 . 1 . . . . 125 GLU HN . 26854 1 1478 . 1 1 125 125 GLU HA H 1 3.677 0.05 . 1 . . . . 125 GLU HA . 26854 1 1479 . 1 1 125 125 GLU HB2 H 1 1.360 0.05 . 1 . . . . 125 GLU HB2 . 26854 1 1480 . 1 1 125 125 GLU HB3 H 1 2.065 0.05 . 1 . . . . 125 GLU HB3 . 26854 1 1481 . 1 1 125 125 GLU HG2 H 1 1.876 0.05 . 1 . . . . 125 GLU HG2 . 26854 1 1482 . 1 1 125 125 GLU HG3 H 1 2.041 0.05 . 1 . . . . 125 GLU HG3 . 26854 1 1483 . 1 1 125 125 GLU C C 13 176.473 0.3 . 1 . . . . 125 GLU C . 26854 1 1484 . 1 1 125 125 GLU CA C 13 59.050 0.3 . 1 . . . . 125 GLU CA . 26854 1 1485 . 1 1 125 125 GLU CB C 13 29.167 0.3 . 1 . . . . 125 GLU CB . 26854 1 1486 . 1 1 125 125 GLU CG C 13 35.761 0.3 . 1 . . . . 125 GLU CG . 26854 1 1487 . 1 1 125 125 GLU N N 15 120.713 0.3 . 1 . . . . 125 GLU N . 26854 1 1488 . 1 1 126 126 ARG H H 1 7.991 0.05 . 1 . . . . 126 ARG HN . 26854 1 1489 . 1 1 126 126 ARG HA H 1 3.877 0.05 . 1 . . . . 126 ARG HA . 26854 1 1490 . 1 1 126 126 ARG HB3 H 1 1.869 0.05 . 1 . . . . 126 ARG HB3 . 26854 1 1491 . 1 1 126 126 ARG HG2 H 1 1.526 0.05 . 1 . . . . 126 ARG HG2 . 26854 1 1492 . 1 1 126 126 ARG HG3 H 1 1.760 0.05 . 1 . . . . 126 ARG HG3 . 26854 1 1493 . 1 1 126 126 ARG HD2 H 1 3.181 0.05 . 1 . . . . 126 ARG HD2 . 26854 1 1494 . 1 1 126 126 ARG HD3 H 1 3.281 0.05 . 1 . . . . 126 ARG HD3 . 26854 1 1495 . 1 1 126 126 ARG HE H 1 7.406 0.05 . 1 . . . . 126 ARG HE . 26854 1 1496 . 1 1 126 126 ARG C C 13 179.556 0.3 . 1 . . . . 126 ARG C . 26854 1 1497 . 1 1 126 126 ARG CA C 13 60.040 0.3 . 1 . . . . 126 ARG CA . 26854 1 1498 . 1 1 126 126 ARG CB C 13 30.246 0.3 . 1 . . . . 126 ARG CB . 26854 1 1499 . 1 1 126 126 ARG CG C 13 27.850 0.3 . 1 . . . . 126 ARG CG . 26854 1 1500 . 1 1 126 126 ARG CD C 13 43.453 0.3 . 1 . . . . 126 ARG CD . 26854 1 1501 . 1 1 126 126 ARG N N 15 118.621 0.3 . 1 . . . . 126 ARG N . 26854 1 1502 . 1 1 126 126 ARG NE N 15 83.787 0.3 . 1 . . . . 126 ARG NE . 26854 1 1503 . 1 1 127 127 GLU H H 1 8.465 0.05 . 1 . . . . 127 GLU HN . 26854 1 1504 . 1 1 127 127 GLU HA H 1 4.023 0.05 . 1 . . . . 127 GLU HA . 26854 1 1505 . 1 1 127 127 GLU HB3 H 1 2.037 0.05 . 1 . . . . 127 GLU HB3 . 26854 1 1506 . 1 1 127 127 GLU HG2 H 1 2.281 0.05 . 1 . . . . 127 GLU HG2 . 26854 1 1507 . 1 1 127 127 GLU HG3 H 1 2.370 0.05 . 1 . . . . 127 GLU HG3 . 26854 1 1508 . 1 1 127 127 GLU C C 13 179.250 0.3 . 1 . . . . 127 GLU C . 26854 1 1509 . 1 1 127 127 GLU CA C 13 59.102 0.3 . 1 . . . . 127 GLU CA . 26854 1 1510 . 1 1 127 127 GLU CB C 13 29.539 0.3 . 1 . . . . 127 GLU CB . 26854 1 1511 . 1 1 127 127 GLU CG C 13 36.128 0.3 . 1 . . . . 127 GLU CG . 26854 1 1512 . 1 1 127 127 GLU N N 15 118.109 0.3 . 1 . . . . 127 GLU N . 26854 1 1513 . 1 1 128 128 GLY H H 1 7.877 0.05 . 1 . . . . 128 GLY HN . 26854 1 1514 . 1 1 128 128 GLY HA2 H 1 3.535 0.05 . 1 . . . . 128 GLY HA2 . 26854 1 1515 . 1 1 128 128 GLY HA3 H 1 3.808 0.05 . 1 . . . . 128 GLY HA3 . 26854 1 1516 . 1 1 128 128 GLY C C 13 174.988 0.3 . 1 . . . . 128 GLY C . 26854 1 1517 . 1 1 128 128 GLY CA C 13 47.669 0.3 . 1 . . . . 128 GLY CA . 26854 1 1518 . 1 1 128 128 GLY N N 15 108.921 0.3 . 1 . . . . 128 GLY N . 26854 1 1519 . 1 1 129 129 VAL H H 1 8.711 0.05 . 1 . . . . 129 VAL HN . 26854 1 1520 . 1 1 129 129 VAL HA H 1 3.445 0.05 . 1 . . . . 129 VAL HA . 26854 1 1521 . 1 1 129 129 VAL HB H 1 2.100 0.05 . 1 . . . . 129 VAL HB . 26854 1 1522 . 1 1 129 129 VAL HG11 H 1 1.059 0.05 . 2 . . . . 129 VAL HG13 . 26854 1 1523 . 1 1 129 129 VAL HG12 H 1 1.059 0.05 . 2 . . . . 129 VAL HG13 . 26854 1 1524 . 1 1 129 129 VAL HG13 H 1 1.059 0.05 . 2 . . . . 129 VAL HG13 . 26854 1 1525 . 1 1 129 129 VAL HG21 H 1 0.880 0.05 . 2 . . . . 129 VAL HG21 . 26854 1 1526 . 1 1 129 129 VAL HG22 H 1 0.880 0.05 . 2 . . . . 129 VAL HG21 . 26854 1 1527 . 1 1 129 129 VAL HG23 H 1 0.880 0.05 . 2 . . . . 129 VAL HG21 . 26854 1 1528 . 1 1 129 129 VAL C C 13 177.893 0.3 . 1 . . . . 129 VAL C . 26854 1 1529 . 1 1 129 129 VAL CA C 13 66.756 0.3 . 1 . . . . 129 VAL CA . 26854 1 1530 . 1 1 129 129 VAL CB C 13 31.708 0.3 . 1 . . . . 129 VAL CB . 26854 1 1531 . 1 1 129 129 VAL CG1 C 13 23.816 0.3 . 2 . . . . 129 VAL CG1 . 26854 1 1532 . 1 1 129 129 VAL CG2 C 13 21.417 0.3 . 2 . . . . 129 VAL CG2 . 26854 1 1533 . 1 1 129 129 VAL N N 15 121.616 0.3 . 1 . . . . 129 VAL N . 26854 1 1534 . 1 1 130 130 MET H H 1 7.603 0.05 . 1 . . . . 130 MET HN . 26854 1 1535 . 1 1 130 130 MET HA H 1 4.048 0.05 . 1 . . . . 130 MET HA . 26854 1 1536 . 1 1 130 130 MET HB3 H 1 2.184 0.05 . 1 . . . . 130 MET HB3 . 26854 1 1537 . 1 1 130 130 MET HG2 H 1 2.545 0.05 . 1 . . . . 130 MET HG2 . 26854 1 1538 . 1 1 130 130 MET HG3 H 1 2.712 0.05 . 1 . . . . 130 MET HG3 . 26854 1 1539 . 1 1 130 130 MET HE1 H 1 2.083 0.05 . 1 . . . . 130 MET HE3 . 26854 1 1540 . 1 1 130 130 MET HE2 H 1 2.083 0.05 . 1 . . . . 130 MET HE3 . 26854 1 1541 . 1 1 130 130 MET HE3 H 1 2.083 0.05 . 1 . . . . 130 MET HE3 . 26854 1 1542 . 1 1 130 130 MET C C 13 179.054 0.3 . 1 . . . . 130 MET C . 26854 1 1543 . 1 1 130 130 MET CA C 13 58.838 0.3 . 1 . . . . 130 MET CA . 26854 1 1544 . 1 1 130 130 MET CB C 13 32.181 0.3 . 1 . . . . 130 MET CB . 26854 1 1545 . 1 1 130 130 MET CG C 13 31.900 0.3 . 1 . . . . 130 MET CG . 26854 1 1546 . 1 1 130 130 MET CE C 13 16.866 0.3 . 1 . . . . 130 MET CE . 26854 1 1547 . 1 1 130 130 MET N N 15 117.707 0.3 . 1 . . . . 130 MET N . 26854 1 1548 . 1 1 131 131 LEU H H 1 8.010 0.05 . 1 . . . . 131 LEU HN . 26854 1 1549 . 1 1 131 131 LEU HA H 1 4.162 0.05 . 1 . . . . 131 LEU HA . 26854 1 1550 . 1 1 131 131 LEU HB3 H 1 1.867 0.05 . 1 . . . . 131 LEU HB3 . 26854 1 1551 . 1 1 131 131 LEU HG H 1 1.654 0.05 . 1 . . . . 131 LEU HG . 26854 1 1552 . 1 1 131 131 LEU HD11 H 1 0.948 0.05 . 2 . . . . 131 LEU HD11 . 26854 1 1553 . 1 1 131 131 LEU HD12 H 1 0.948 0.05 . 2 . . . . 131 LEU HD11 . 26854 1 1554 . 1 1 131 131 LEU HD13 H 1 0.948 0.05 . 2 . . . . 131 LEU HD11 . 26854 1 1555 . 1 1 131 131 LEU C C 13 180.835 0.3 . 1 . . . . 131 LEU C . 26854 1 1556 . 1 1 131 131 LEU CA C 13 58.328 0.3 . 1 . . . . 131 LEU CA . 26854 1 1557 . 1 1 131 131 LEU CB C 13 41.980 0.3 . 1 . . . . 131 LEU CB . 26854 1 1558 . 1 1 131 131 LEU CG C 13 27.134 0.3 . 1 . . . . 131 LEU CG . 26854 1 1559 . 1 1 131 131 LEU CD1 C 13 24.673 0.3 . 2 . . . . 131 LEU CD1 . 26854 1 1560 . 1 1 131 131 LEU N N 15 120.668 0.3 . 1 . . . . 131 LEU N . 26854 1 1561 . 1 1 132 132 ILE H H 1 8.667 0.05 . 1 . . . . 132 ILE HN . 26854 1 1562 . 1 1 132 132 ILE HA H 1 4.082 0.05 . 1 . . . . 132 ILE HA . 26854 1 1563 . 1 1 132 132 ILE HB H 1 1.883 0.05 . 1 . . . . 132 ILE HB . 26854 1 1564 . 1 1 132 132 ILE HG12 H 1 1.788 0.05 . 1 . . . . 132 ILE HG12 . 26854 1 1565 . 1 1 132 132 ILE HG13 H 1 1.813 0.05 . 1 . . . . 132 ILE HG13 . 26854 1 1566 . 1 1 132 132 ILE HG21 H 1 1.057 0.05 . 1 . . . . 132 ILE HG21 . 26854 1 1567 . 1 1 132 132 ILE HG22 H 1 1.057 0.05 . 1 . . . . 132 ILE HG21 . 26854 1 1568 . 1 1 132 132 ILE HG23 H 1 1.057 0.05 . 1 . . . . 132 ILE HG21 . 26854 1 1569 . 1 1 132 132 ILE HD11 H 1 0.813 0.05 . 1 . . . . 132 ILE HD11 . 26854 1 1570 . 1 1 132 132 ILE HD12 H 1 0.813 0.05 . 1 . . . . 132 ILE HD11 . 26854 1 1571 . 1 1 132 132 ILE HD13 H 1 0.813 0.05 . 1 . . . . 132 ILE HD11 . 26854 1 1572 . 1 1 132 132 ILE C C 13 177.685 0.3 . 1 . . . . 132 ILE C . 26854 1 1573 . 1 1 132 132 ILE CA C 13 65.973 0.3 . 1 . . . . 132 ILE CA . 26854 1 1574 . 1 1 132 132 ILE CB C 13 36.976 0.3 . 1 . . . . 132 ILE CB . 26854 1 1575 . 1 1 132 132 ILE CG1 C 13 25.600 0.3 . 1 . . . . 132 ILE CG1 . 26854 1 1576 . 1 1 132 132 ILE CG2 C 13 19.094 0.3 . 1 . . . . 132 ILE CG2 . 26854 1 1577 . 1 1 132 132 ILE CD1 C 13 15.820 0.3 . 1 . . . . 132 ILE CD1 . 26854 1 1578 . 1 1 132 132 ILE N N 15 117.823 0.3 . 1 . . . . 132 ILE N . 26854 1 1579 . 1 1 133 133 LYS H H 1 7.712 0.05 . 1 . . . . 133 LYS HN . 26854 1 1580 . 1 1 133 133 LYS HA H 1 3.515 0.05 . 1 . . . . 133 LYS HA . 26854 1 1581 . 1 1 133 133 LYS HB2 H 1 1.614 0.05 . 1 . . . . 133 LYS HB2 . 26854 1 1582 . 1 1 133 133 LYS HB3 H 1 1.769 0.05 . 1 . . . . 133 LYS HB3 . 26854 1 1583 . 1 1 133 133 LYS HG2 H 1 0.728 0.05 . 1 . . . . 133 LYS HG2 . 26854 1 1584 . 1 1 133 133 LYS HG3 H 1 1.237 0.05 . 1 . . . . 133 LYS HG3 . 26854 1 1585 . 1 1 133 133 LYS HD2 H 1 1.322 0.05 . 1 . . . . 133 LYS HD2 . 26854 1 1586 . 1 1 133 133 LYS HD3 H 1 1.538 0.05 . 1 . . . . 133 LYS HD3 . 26854 1 1587 . 1 1 133 133 LYS HE2 H 1 2.778 0.05 . 1 . . . . 133 LYS HE2 . 26854 1 1588 . 1 1 133 133 LYS HE3 H 1 2.857 0.05 . 1 . . . . 133 LYS HE3 . 26854 1 1589 . 1 1 133 133 LYS C C 13 178.485 0.3 . 1 . . . . 133 LYS C . 26854 1 1590 . 1 1 133 133 LYS CA C 13 59.578 0.3 . 1 . . . . 133 LYS CA . 26854 1 1591 . 1 1 133 133 LYS CB C 13 31.464 0.3 . 1 . . . . 133 LYS CB . 26854 1 1592 . 1 1 133 133 LYS CG C 13 25.437 0.3 . 1 . . . . 133 LYS CG . 26854 1 1593 . 1 1 133 133 LYS CD C 13 29.005 0.3 . 1 . . . . 133 LYS CD . 26854 1 1594 . 1 1 133 133 LYS CE C 13 42.164 0.3 . 1 . . . . 133 LYS CE . 26854 1 1595 . 1 1 133 133 LYS N N 15 123.407 0.3 . 1 . . . . 133 LYS N . 26854 1 1596 . 1 1 134 134 LYS H H 1 7.766 0.05 . 1 . . . . 134 LYS HN . 26854 1 1597 . 1 1 134 134 LYS HA H 1 4.069 0.05 . 1 . . . . 134 LYS HA . 26854 1 1598 . 1 1 134 134 LYS HB3 H 1 1.964 0.05 . 1 . . . . 134 LYS HB3 . 26854 1 1599 . 1 1 134 134 LYS HG3 H 1 1.490 0.05 . 1 . . . . 134 LYS HG3 . 26854 1 1600 . 1 1 134 134 LYS HD3 H 1 1.689 0.05 . 1 . . . . 134 LYS HD3 . 26854 1 1601 . 1 1 134 134 LYS HE3 H 1 2.966 0.05 . 1 . . . . 134 LYS HE3 . 26854 1 1602 . 1 1 134 134 LYS C C 13 179.210 0.3 . 1 . . . . 134 LYS C . 26854 1 1603 . 1 1 134 134 LYS CA C 13 58.815 0.3 . 1 . . . . 134 LYS CA . 26854 1 1604 . 1 1 134 134 LYS CB C 13 31.504 0.3 . 1 . . . . 134 LYS CB . 26854 1 1605 . 1 1 134 134 LYS CG C 13 24.620 0.3 . 1 . . . . 134 LYS CG . 26854 1 1606 . 1 1 134 134 LYS CD C 13 28.900 0.3 . 1 . . . . 134 LYS CD . 26854 1 1607 . 1 1 134 134 LYS CE C 13 42.230 0.3 . 1 . . . . 134 LYS CE . 26854 1 1608 . 1 1 134 134 LYS N N 15 120.339 0.3 . 1 . . . . 134 LYS N . 26854 1 1609 . 1 1 135 135 THR H H 1 8.381 0.05 . 1 . . . . 135 THR HN . 26854 1 1610 . 1 1 135 135 THR HA H 1 3.895 0.05 . 1 . . . . 135 THR HA . 26854 1 1611 . 1 1 135 135 THR HB H 1 4.372 0.05 . 1 . . . . 135 THR HB . 26854 1 1612 . 1 1 135 135 THR HG21 H 1 1.105 0.05 . 1 . . . . 135 THR HG21 . 26854 1 1613 . 1 1 135 135 THR HG22 H 1 1.105 0.05 . 1 . . . . 135 THR HG21 . 26854 1 1614 . 1 1 135 135 THR HG23 H 1 1.105 0.05 . 1 . . . . 135 THR HG21 . 26854 1 1615 . 1 1 135 135 THR C C 13 175.553 0.3 . 1 . . . . 135 THR C . 26854 1 1616 . 1 1 135 135 THR CA C 13 66.878 0.3 . 1 . . . . 135 THR CA . 26854 1 1617 . 1 1 135 135 THR CB C 13 68.280 0.3 . 1 . . . . 135 THR CB . 26854 1 1618 . 1 1 135 135 THR CG2 C 13 22.226 0.3 . 1 . . . . 135 THR CG2 . 26854 1 1619 . 1 1 135 135 THR N N 15 116.222 0.3 . 1 . . . . 135 THR N . 26854 1 1620 . 1 1 136 136 ALA H H 1 8.138 0.05 . 1 . . . . 136 ALA HN . 26854 1 1621 . 1 1 136 136 ALA HA H 1 3.854 0.05 . 1 . . . . 136 ALA HA . 26854 1 1622 . 1 1 136 136 ALA HB1 H 1 1.430 0.05 . 1 . . . . 136 ALA HB3 . 26854 1 1623 . 1 1 136 136 ALA HB2 H 1 1.430 0.05 . 1 . . . . 136 ALA HB3 . 26854 1 1624 . 1 1 136 136 ALA HB3 H 1 1.430 0.05 . 1 . . . . 136 ALA HB3 . 26854 1 1625 . 1 1 136 136 ALA C C 13 178.113 0.3 . 1 . . . . 136 ALA C . 26854 1 1626 . 1 1 136 136 ALA CA C 13 55.859 0.3 . 1 . . . . 136 ALA CA . 26854 1 1627 . 1 1 136 136 ALA CB C 13 18.307 0.3 . 1 . . . . 136 ALA CB . 26854 1 1628 . 1 1 136 136 ALA N N 15 122.769 0.3 . 1 . . . . 136 ALA N . 26854 1 1629 . 1 1 137 137 GLU H H 1 7.905 0.05 . 1 . . . . 137 GLU HN . 26854 1 1630 . 1 1 137 137 GLU HA H 1 4.005 0.05 . 1 . . . . 137 GLU HA . 26854 1 1631 . 1 1 137 137 GLU HB3 H 1 2.170 0.05 . 1 . . . . 137 GLU HB3 . 26854 1 1632 . 1 1 137 137 GLU HG3 H 1 2.340 0.05 . 1 . . . . 137 GLU HG3 . 26854 1 1633 . 1 1 137 137 GLU C C 13 178.834 0.3 . 1 . . . . 137 GLU C . 26854 1 1634 . 1 1 137 137 GLU CA C 13 59.213 0.3 . 1 . . . . 137 GLU CA . 26854 1 1635 . 1 1 137 137 GLU CB C 13 29.197 0.3 . 1 . . . . 137 GLU CB . 26854 1 1636 . 1 1 137 137 GLU CG C 13 36.258 0.3 . 1 . . . . 137 GLU CG . 26854 1 1637 . 1 1 137 137 GLU N N 15 117.447 0.3 . 1 . . . . 137 GLU N . 26854 1 1638 . 1 1 138 138 ASN H H 1 8.174 0.05 . 1 . . . . 138 ASN HN . 26854 1 1639 . 1 1 138 138 ASN HA H 1 4.483 0.05 . 1 . . . . 138 ASN HA . 26854 1 1640 . 1 1 138 138 ASN HB2 H 1 2.738 0.05 . 1 . . . . 138 ASN HB2 . 26854 1 1641 . 1 1 138 138 ASN HB3 H 1 3.052 0.05 . 1 . . . . 138 ASN HB3 . 26854 1 1642 . 1 1 138 138 ASN HD21 H 1 7.563 0.05 . 1 . . . . 138 ASN HD21 . 26854 1 1643 . 1 1 138 138 ASN HD22 H 1 6.903 0.05 . 1 . . . . 138 ASN HD22 . 26854 1 1644 . 1 1 138 138 ASN C C 13 178.311 0.3 . 1 . . . . 138 ASN C . 26854 1 1645 . 1 1 138 138 ASN CA C 13 55.836 0.3 . 1 . . . . 138 ASN CA . 26854 1 1646 . 1 1 138 138 ASN CB C 13 38.266 0.3 . 1 . . . . 138 ASN CB . 26854 1 1647 . 1 1 138 138 ASN N N 15 118.976 0.3 . 1 . . . . 138 ASN N . 26854 1 1648 . 1 1 138 138 ASN ND2 N 15 110.845 0.3 . 1 . . . . 138 ASN ND2 . 26854 1 1649 . 1 1 139 139 ILE H H 1 8.365 0.05 . 1 . . . . 139 ILE HN . 26854 1 1650 . 1 1 139 139 ILE HA H 1 3.119 0.05 . 1 . . . . 139 ILE HA . 26854 1 1651 . 1 1 139 139 ILE HB H 1 1.602 0.05 . 1 . . . . 139 ILE HB . 26854 1 1652 . 1 1 139 139 ILE HG12 H 1 -0.418 0.05 . 1 . . . . 139 ILE HG12 . 26854 1 1653 . 1 1 139 139 ILE HG13 H 1 1.313 0.05 . 1 . . . . 139 ILE HG13 . 26854 1 1654 . 1 1 139 139 ILE HG21 H 1 0.445 0.05 . 1 . . . . 139 ILE HG21 . 26854 1 1655 . 1 1 139 139 ILE HG22 H 1 0.445 0.05 . 1 . . . . 139 ILE HG21 . 26854 1 1656 . 1 1 139 139 ILE HG23 H 1 0.445 0.05 . 1 . . . . 139 ILE HG21 . 26854 1 1657 . 1 1 139 139 ILE HD11 H 1 0.092 0.05 . 1 . . . . 139 ILE HD11 . 26854 1 1658 . 1 1 139 139 ILE HD12 H 1 0.092 0.05 . 1 . . . . 139 ILE HD11 . 26854 1 1659 . 1 1 139 139 ILE HD13 H 1 0.092 0.05 . 1 . . . . 139 ILE HD11 . 26854 1 1660 . 1 1 139 139 ILE C C 13 175.975 0.3 . 1 . . . . 139 ILE C . 26854 1 1661 . 1 1 139 139 ILE CA C 13 65.352 0.3 . 1 . . . . 139 ILE CA . 26854 1 1662 . 1 1 139 139 ILE CB C 13 37.837 0.3 . 1 . . . . 139 ILE CB . 26854 1 1663 . 1 1 139 139 ILE CG1 C 13 29.157 0.3 . 1 . . . . 139 ILE CG1 . 26854 1 1664 . 1 1 139 139 ILE CG2 C 13 18.016 0.3 . 1 . . . . 139 ILE CG2 . 26854 1 1665 . 1 1 139 139 ILE CD1 C 13 18.649 0.3 . 1 . . . . 139 ILE CD1 . 26854 1 1666 . 1 1 139 139 ILE N N 15 123.248 0.3 . 1 . . . . 139 ILE N . 26854 1 1667 . 1 1 140 140 ASP H H 1 7.993 0.05 . 1 . . . . 140 ASP HN . 26854 1 1668 . 1 1 140 140 ASP HA H 1 4.160 0.05 . 1 . . . . 140 ASP HA . 26854 1 1669 . 1 1 140 140 ASP HB2 H 1 2.449 0.05 . 1 . . . . 140 ASP HB2 . 26854 1 1670 . 1 1 140 140 ASP HB3 H 1 2.909 0.05 . 1 . . . . 140 ASP HB3 . 26854 1 1671 . 1 1 140 140 ASP C C 13 177.300 0.3 . 1 . . . . 140 ASP C . 26854 1 1672 . 1 1 140 140 ASP CA C 13 57.988 0.3 . 1 . . . . 140 ASP CA . 26854 1 1673 . 1 1 140 140 ASP CB C 13 42.000 0.3 . 1 . . . . 140 ASP CB . 26854 1 1674 . 1 1 140 140 ASP N N 15 120.860 0.3 . 1 . . . . 140 ASP N . 26854 1 1675 . 1 1 141 141 GLU H H 1 7.935 0.05 . 1 . . . . 141 GLU HN . 26854 1 1676 . 1 1 141 141 GLU HA H 1 3.864 0.05 . 1 . . . . 141 GLU HA . 26854 1 1677 . 1 1 141 141 GLU HB3 H 1 2.089 0.05 . 1 . . . . 141 GLU HB3 . 26854 1 1678 . 1 1 141 141 GLU HG2 H 1 2.293 0.05 . 1 . . . . 141 GLU HG2 . 26854 1 1679 . 1 1 141 141 GLU HG3 H 1 2.429 0.05 . 1 . . . . 141 GLU HG3 . 26854 1 1680 . 1 1 141 141 GLU C C 13 179.407 0.3 . 1 . . . . 141 GLU C . 26854 1 1681 . 1 1 141 141 GLU CA C 13 59.552 0.3 . 1 . . . . 141 GLU CA . 26854 1 1682 . 1 1 141 141 GLU CB C 13 29.539 0.3 . 1 . . . . 141 GLU CB . 26854 1 1683 . 1 1 141 141 GLU CG C 13 35.993 0.3 . 1 . . . . 141 GLU CG . 26854 1 1684 . 1 1 141 141 GLU N N 15 115.370 0.3 . 1 . . . . 141 GLU N . 26854 1 1685 . 1 1 142 142 ALA H H 1 8.107 0.05 . 1 . . . . 142 ALA HN . 26854 1 1686 . 1 1 142 142 ALA HA H 1 4.075 0.05 . 1 . . . . 142 ALA HA . 26854 1 1687 . 1 1 142 142 ALA HB1 H 1 1.318 0.05 . 1 . . . . 142 ALA HB3 . 26854 1 1688 . 1 1 142 142 ALA HB2 H 1 1.318 0.05 . 1 . . . . 142 ALA HB3 . 26854 1 1689 . 1 1 142 142 ALA HB3 H 1 1.318 0.05 . 1 . . . . 142 ALA HB3 . 26854 1 1690 . 1 1 142 142 ALA CA C 13 54.608 0.3 . 1 . . . . 142 ALA CA . 26854 1 1691 . 1 1 142 142 ALA CB C 13 18.450 0.3 . 1 . . . . 142 ALA CB . 26854 1 1692 . 1 1 142 142 ALA N N 15 120.943 0.3 . 1 . . . . 142 ALA N . 26854 1 1693 . 1 1 148 148 ASP HA H 1 4.497 0.05 . 1 . . . . 148 ASP HA . 26854 1 1694 . 1 1 148 148 ASP HB3 H 1 2.750 0.05 . 1 . . . . 148 ASP HB3 . 26854 1 1695 . 1 1 148 148 ASP C C 13 176.377 0.3 . 1 . . . . 148 ASP C . 26854 1 1696 . 1 1 148 148 ASP CA C 13 56.188 0.3 . 1 . . . . 148 ASP CA . 26854 1 1697 . 1 1 148 148 ASP CB C 13 40.649 0.3 . 1 . . . . 148 ASP CB . 26854 1 1698 . 1 1 149 149 ALA H H 1 8.022 0.05 . 1 . . . . 149 ALA HN . 26854 1 1699 . 1 1 149 149 ALA HA H 1 4.406 0.05 . 1 . . . . 149 ALA HA . 26854 1 1700 . 1 1 149 149 ALA HB1 H 1 1.415 0.05 . 1 . . . . 149 ALA HB3 . 26854 1 1701 . 1 1 149 149 ALA HB2 H 1 1.415 0.05 . 1 . . . . 149 ALA HB3 . 26854 1 1702 . 1 1 149 149 ALA HB3 H 1 1.415 0.05 . 1 . . . . 149 ALA HB3 . 26854 1 1703 . 1 1 149 149 ALA C C 13 176.537 0.3 . 1 . . . . 149 ALA C . 26854 1 1704 . 1 1 149 149 ALA CA C 13 51.750 0.3 . 1 . . . . 149 ALA CA . 26854 1 1705 . 1 1 149 149 ALA CB C 13 19.100 0.3 . 1 . . . . 149 ALA CB . 26854 1 1706 . 1 1 149 149 ALA N N 15 122.300 0.3 . 1 . . . . 149 ALA N . 26854 1 1707 . 1 1 150 150 ASN H H 1 8.155 0.05 . 1 . . . . 150 ASN HN . 26854 1 1708 . 1 1 150 150 ASN HA H 1 4.470 0.05 . 1 . . . . 150 ASN HA . 26854 1 1709 . 1 1 150 150 ASN HB2 H 1 2.795 0.05 . 1 . . . . 150 ASN HB2 . 26854 1 1710 . 1 1 150 150 ASN HB3 H 1 3.036 0.05 . 1 . . . . 150 ASN HB3 . 26854 1 1711 . 1 1 150 150 ASN HD21 H 1 7.594 0.05 . 1 . . . . 150 ASN HD21 . 26854 1 1712 . 1 1 150 150 ASN HD22 H 1 6.887 0.05 . 1 . . . . 150 ASN HD22 . 26854 1 1713 . 1 1 150 150 ASN C C 13 174.112 0.3 . 1 . . . . 150 ASN C . 26854 1 1714 . 1 1 150 150 ASN CA C 13 54.050 0.3 . 1 . . . . 150 ASN CA . 26854 1 1715 . 1 1 150 150 ASN CB C 13 37.730 0.3 . 1 . . . . 150 ASN CB . 26854 1 1716 . 1 1 150 150 ASN N N 15 114.739 0.3 . 1 . . . . 150 ASN N . 26854 1 1717 . 1 1 150 150 ASN ND2 N 15 112.768 0.3 . 1 . . . . 150 ASN ND2 . 26854 1 1718 . 1 1 154 154 GLU C C 13 177.075 0.3 . 1 . . . . 154 GLU C . 26854 1 1719 . 1 1 154 154 GLU CA C 13 58.264 0.3 . 1 . . . . 154 GLU CA . 26854 1 1720 . 1 1 154 154 GLU CB C 13 28.681 0.3 . 1 . . . . 154 GLU CB . 26854 1 1721 . 1 1 155 155 ASP H H 1 8.149 0.05 . 1 . . . . 155 ASP HN . 26854 1 1722 . 1 1 155 155 ASP HA H 1 4.629 0.05 . 1 . . . . 155 ASP HA . 26854 1 1723 . 1 1 155 155 ASP HB3 H 1 2.786 0.05 . 1 . . . . 155 ASP HB3 . 26854 1 1724 . 1 1 155 155 ASP N N 15 119.727 0.3 . 1 . . . . 155 ASP N . 26854 1 1725 . 1 1 157 157 TRP HA H 1 4.898 0.05 . 1 . . . . 157 TRP HA . 26854 1 1726 . 1 1 157 157 TRP HB3 H 1 3.376 0.05 . 1 . . . . 157 TRP HB3 . 26854 1 1727 . 1 1 157 157 TRP HD1 H 1 7.326 0.05 . 1 . . . . 157 TRP HD1 . 26854 1 1728 . 1 1 157 157 TRP HE1 H 1 10.280 0.05 . 1 . . . . 157 TRP HE1 . 26854 1 1729 . 1 1 157 157 TRP HE3 H 1 7.537 0.05 . 1 . . . . 157 TRP HE3 . 26854 1 1730 . 1 1 157 157 TRP HZ2 H 1 7.413 0.05 . 1 . . . . 157 TRP HZ2 . 26854 1 1731 . 1 1 157 157 TRP HZ3 H 1 6.826 0.05 . 1 . . . . 157 TRP HZ3 . 26854 1 1732 . 1 1 157 157 TRP HH2 H 1 6.911 0.05 . 1 . . . . 157 TRP HH2 . 26854 1 1733 . 1 1 157 157 TRP C C 13 176.719 0.3 . 1 . . . . 157 TRP C . 26854 1 1734 . 1 1 157 157 TRP CA C 13 56.334 0.3 . 1 . . . . 157 TRP CA . 26854 1 1735 . 1 1 157 157 TRP CB C 13 29.461 0.3 . 1 . . . . 157 TRP CB . 26854 1 1736 . 1 1 157 157 TRP CD1 C 13 124.312 0.3 . 1 . . . . 157 TRP CD1 . 26854 1 1737 . 1 1 157 157 TRP CE3 C 13 121.222 0.3 . 1 . . . . 157 TRP CE3 . 26854 1 1738 . 1 1 157 157 TRP CZ2 C 13 114.186 0.3 . 1 . . . . 157 TRP CZ2 . 26854 1 1739 . 1 1 157 157 TRP CZ3 C 13 120.939 0.3 . 1 . . . . 157 TRP CZ3 . 26854 1 1740 . 1 1 157 157 TRP CH2 C 13 124.234 0.3 . 1 . . . . 157 TRP CH2 . 26854 1 1741 . 1 1 157 157 TRP NE1 N 15 129.286 0.3 . 1 . . . . 157 TRP NE1 . 26854 1 1742 . 1 1 158 158 ALA H H 1 7.642 0.05 . 1 . . . . 158 ALA HN . 26854 1 1743 . 1 1 158 158 ALA HA H 1 4.321 0.05 . 1 . . . . 158 ALA HA . 26854 1 1744 . 1 1 158 158 ALA HB1 H 1 1.434 0.05 . 1 . . . . 158 ALA HB3 . 26854 1 1745 . 1 1 158 158 ALA HB2 H 1 1.434 0.05 . 1 . . . . 158 ALA HB3 . 26854 1 1746 . 1 1 158 158 ALA HB3 H 1 1.434 0.05 . 1 . . . . 158 ALA HB3 . 26854 1 1747 . 1 1 158 158 ALA C C 13 177.545 0.3 . 1 . . . . 158 ALA C . 26854 1 1748 . 1 1 158 158 ALA CA C 13 53.100 0.3 . 1 . . . . 158 ALA CA . 26854 1 1749 . 1 1 158 158 ALA CB C 13 19.351 0.3 . 1 . . . . 158 ALA CB . 26854 1 1750 . 1 1 158 158 ALA N N 15 122.604 0.3 . 1 . . . . 158 ALA N . 26854 1 1751 . 1 1 159 159 ASN H H 1 8.207 0.05 . 1 . . . . 159 ASN HN . 26854 1 1752 . 1 1 159 159 ASN HA H 1 4.684 0.05 . 1 . . . . 159 ASN HA . 26854 1 1753 . 1 1 159 159 ASN HB2 H 1 2.722 0.05 . 1 . . . . 159 ASN HB2 . 26854 1 1754 . 1 1 159 159 ASN HB3 H 1 2.823 0.05 . 1 . . . . 159 ASN HB3 . 26854 1 1755 . 1 1 159 159 ASN HD21 H 1 7.659 0.05 . 1 . . . . 159 ASN HD21 . 26854 1 1756 . 1 1 159 159 ASN HD22 H 1 6.962 0.05 . 1 . . . . 159 ASN HD22 . 26854 1 1757 . 1 1 159 159 ASN C C 13 175.027 0.3 . 1 . . . . 159 ASN C . 26854 1 1758 . 1 1 159 159 ASN CA C 13 53.307 0.3 . 1 . . . . 159 ASN CA . 26854 1 1759 . 1 1 159 159 ASN CB C 13 38.817 0.3 . 1 . . . . 159 ASN CB . 26854 1 1760 . 1 1 159 159 ASN N N 15 116.879 0.3 . 1 . . . . 159 ASN N . 26854 1 1761 . 1 1 159 159 ASN ND2 N 15 112.810 0.3 . 1 . . . . 159 ASN ND2 . 26854 1 1762 . 1 1 160 160 HIS H H 1 8.302 0.05 . 1 . . . . 160 HIS HN . 26854 1 1763 . 1 1 160 160 HIS HA H 1 4.715 0.05 . 1 . . . . 160 HIS HA . 26854 1 1764 . 1 1 160 160 HIS HB3 H 1 3.251 0.05 . 1 . . . . 160 HIS HB3 . 26854 1 1765 . 1 1 160 160 HIS HD2 H 1 7.326 0.05 . 1 . . . . 160 HIS HD2 . 26854 1 1766 . 1 1 160 160 HIS C C 13 174.071 0.3 . 1 . . . . 160 HIS C . 26854 1 1767 . 1 1 160 160 HIS CA C 13 55.223 0.3 . 1 . . . . 160 HIS CA . 26854 1 1768 . 1 1 160 160 HIS CB C 13 29.353 0.3 . 1 . . . . 160 HIS CB . 26854 1 1769 . 1 1 160 160 HIS CD2 C 13 120.312 0.3 . 1 . . . . 160 HIS CD2 . 26854 1 1770 . 1 1 160 160 HIS N N 15 119.343 0.3 . 1 . . . . 160 HIS N . 26854 1 1771 . 1 1 161 161 GLY H H 1 8.295 0.05 . 1 . . . . 161 GLY HN . 26854 1 1772 . 1 1 161 161 GLY HA2 H 1 3.767 0.05 . 1 . . . . 161 GLY HA2 . 26854 1 1773 . 1 1 161 161 GLY HA3 H 1 3.826 0.05 . 1 . . . . 161 GLY HA3 . 26854 1 1774 . 1 1 161 161 GLY C C 13 179.248 0.3 . 1 . . . . 161 GLY C . 26854 1 1775 . 1 1 161 161 GLY CA C 13 46.169 0.3 . 1 . . . . 161 GLY CA . 26854 1 1776 . 1 1 161 161 GLY N N 15 116.202 0.3 . 1 . . . . 161 GLY N . 26854 1 1777 . 2 2 1 1 FMN H1R1 H 1 4.560 0.05 . 1 . . . . 162 FMN H1R1 . 26854 1 1778 . 2 2 1 1 FMN H2R H 1 4.307 0.05 . 1 . . . . 162 FMN H2R . 26854 1 1779 . 2 2 1 1 FMN H3 H 1 11.716 0.05 . 1 . . . . 162 FMN H3 . 26854 1 1780 . 2 2 1 1 FMN H3R H 1 3.057 0.05 . 1 . . . . 162 FMN H3R . 26854 1 1781 . 2 2 1 1 FMN H4R H 1 4.090 0.05 . 1 . . . . 162 FMN H4R . 26854 1 1782 . 2 2 1 1 FMN H5R1 H 1 4.166 0.05 . 1 . . . . 162 FMN H5R1 . 26854 1 1783 . 2 2 1 1 FMN H5R2 H 1 3.833 0.05 . 1 . . . . 162 FMN H5R2 . 26854 1 1784 . 2 2 1 1 FMN H6 H 1 7.674 0.05 . 1 . . . . 162 FMN H6 . 26854 1 1785 . 2 2 1 1 FMN H7M1 H 1 2.406 0.05 . 1 . . . . 162 FMN H7M1 . 26854 1 1786 . 2 2 1 1 FMN H8M1 H 1 2.342 0.05 . 1 . . . . 162 FMN H8M1 . 26854 1 1787 . 2 2 1 1 FMN H9 H 1 7.919 0.05 . 1 . . . . 162 FMN H9 . 26854 1 1788 . 2 2 1 1 FMN C1R C 13 47.300 0.3 . 1 . . . . 162 FMN C1R . 26854 1 1789 . 2 2 1 1 FMN C2R C 13 69.732 0.3 . 1 . . . . 162 FMN C2R . 26854 1 1790 . 2 2 1 1 FMN C3R C 13 74.178 0.3 . 1 . . . . 162 FMN C3R . 26854 1 1791 . 2 2 1 1 FMN C4R C 13 76.042 0.3 . 1 . . . . 162 FMN C4R . 26854 1 1792 . 2 2 1 1 FMN C5R C 13 67.200 0.3 . 1 . . . . 162 FMN C5R . 26854 1 1793 . 2 2 1 1 FMN C6 C 13 134.323 0.3 . 1 . . . . 162 FMN C6 . 26854 1 1794 . 2 2 1 1 FMN C7M C 13 23.022 0.3 . 1 . . . . 162 FMN C7M . 26854 1 1795 . 2 2 1 1 FMN C8M C 13 24.276 0.3 . 1 . . . . 162 FMN C8M . 26854 1 1796 . 2 2 1 1 FMN C9 C 13 121.082 0.3 . 1 . . . . 162 FMN C9 . 26854 1 1797 . 2 2 1 1 FMN N3 N 15 158.158 0.3 . 1 . . . . 162 FMN N3 . 26854 1 stop_ save_