data_25342 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25342 _Entry.Title ; NMR structure of the protein YP_193882.1 from Lactobacillus acidophilus NCFM in presence of FMN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-13 _Entry.Accession_date 2014-11-13 _Entry.Last_release_date 2014-12-08 _Entry.Original_release_date 2014-12-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Samit Dutta . K. . 25342 2 Pedro Serrano . . . 25342 3 Michael Geralt . . . 25342 4 Kurt Wuthrich . . . 25342 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 25342 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'human gut microbiome secreted protein' . 25342 'Flavodoxin 4' . 25342 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25342 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1024 25342 '13C chemical shifts' 607 25342 '15N chemical shifts' 161 25342 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-12-08 2014-11-13 original author . 25342 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3edo . 25342 PDB 2MWM 'BMRB Entry Tracking System' 25342 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25342 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the protein YP_193882.1 from Lactobacillus acidophilus NCFM in presence of FMN' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Samit Dutta . K. . 25342 1 2 Pedro Serrano . . . 25342 1 3 Michael Geralt . . . 25342 1 4 Kurt Wuthrich . . . 25342 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25342 _Assembly.ID 1 _Assembly.Name 'NMR structure of the protein YP_193882.1 from Lactobacillus acidophilus NCFM in presence of FMN' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25342 1 2 'Flavin Mononucleotide' 2 $entity_FMN B . no native no no . . . 25342 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25342 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMAKKTLILYYSWSGETKKM AEKINSEIKDSELKEVKVSE GTFDADMYKTSDIALDQIQG NKDFPEIQLDNIDYNNYDLI LIGSPVWSGYPATPIKTLLD QMKNYRGEVASFFTSAGTNH KAYVSHFNEWADGLNVIGVA RDDSEVDKWSK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17079.189 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 3edo . . . . . . . . . . . . . . . . 25342 1 2 no BMRB 25567 . entity . . . . . 100.00 151 100.00 100.00 3.07e-105 . . . . 25342 1 3 no PDB 2MWM . "Nmr Structure Of The Protein Yp_193882.1 From Lactobacillus Acidophilus Ncfm In Presence Of Fmn" . . . . . 100.00 151 100.00 100.00 3.07e-105 . . . . 25342 1 4 no PDB 2N1M . "Nmr Structure Of The Apo-form Of The Flavoprotein Yp_193882.1 From Lactobacillus Acidophilus Ncfm" . . . . . 100.00 151 100.00 100.00 3.07e-105 . . . . 25342 1 5 no PDB 3EDO . "Crystal Structure Of Flavoprotein In Complex With Fmn (Yp_193882.1) From Lactobacillus Acidophilus Ncfm At 1.20 A Resolution" . . . . . 100.00 151 97.35 97.35 5.54e-101 . . . . 25342 1 6 no EMBL CDF67787 . "Putative trp repressor binding protein [Lactobacillus acidophilus CIP 76.13]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25342 1 7 no EMBL CDF69462 . "Putative trp repressor binding protein [Lactobacillus acidophilus CIRM-BIA 442]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25342 1 8 no EMBL CDF71219 . "Putative trp repressor binding protein [Lactobacillus acidophilus CIRM-BIA 445]" . . . . . 99.34 150 99.33 100.00 1.31e-103 . . . . 25342 1 9 no EMBL CDF73047 . "Putative trp repressor binding protein [Lactobacillus acidophilus DSM 9126]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25342 1 10 no EMBL CDF75037 . "Putative trp repressor binding protein [Lactobacillus acidophilus DSM 20242]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25342 1 11 no GB AAV42851 . "putative trp repressor binding protein [Lactobacillus acidophilus NCFM]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25342 1 12 no GB AGK94185 . "Flavodoxin [Lactobacillus acidophilus La-14]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25342 1 13 no GB AJP46408 . "Trp operon repressor [Lactobacillus acidophilus]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25342 1 14 no GB EEJ75695 . "hypothetical protein HMPREF0492_1347 [Lactobacillus acidophilus ATCC 4796]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25342 1 15 no GB KHE30356 . "Trp operon repressor [Lactobacillus acidophilus]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25342 1 16 no REF WP_003547179 . "Trp operon repressor [Lactobacillus acidophilus]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25342 1 17 no REF WP_021874216 . "trp repressor-binding protein [Lactobacillus acidophilus]" . . . . . 99.34 150 99.33 100.00 1.31e-103 . . . . 25342 1 18 no REF YP_193882 . "trp repressor binding protein [Lactobacillus acidophilus NCFM]" . . . . . 99.34 150 100.00 100.00 2.05e-104 . . . . 25342 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 . 25342 1 2 2 MET . 25342 1 3 3 ALA . 25342 1 4 4 LYS . 25342 1 5 5 LYS . 25342 1 6 6 THR . 25342 1 7 7 LEU . 25342 1 8 8 ILE . 25342 1 9 9 LEU . 25342 1 10 10 TYR . 25342 1 11 11 TYR . 25342 1 12 12 SER . 25342 1 13 13 TRP . 25342 1 14 14 SER . 25342 1 15 15 GLY . 25342 1 16 16 GLU . 25342 1 17 17 THR . 25342 1 18 18 LYS . 25342 1 19 19 LYS . 25342 1 20 20 MET . 25342 1 21 21 ALA . 25342 1 22 22 GLU . 25342 1 23 23 LYS . 25342 1 24 24 ILE . 25342 1 25 25 ASN . 25342 1 26 26 SER . 25342 1 27 27 GLU . 25342 1 28 28 ILE . 25342 1 29 29 LYS . 25342 1 30 30 ASP . 25342 1 31 31 SER . 25342 1 32 32 GLU . 25342 1 33 33 LEU . 25342 1 34 34 LYS . 25342 1 35 35 GLU . 25342 1 36 36 VAL . 25342 1 37 37 LYS . 25342 1 38 38 VAL . 25342 1 39 39 SER . 25342 1 40 40 GLU . 25342 1 41 41 GLY . 25342 1 42 42 THR . 25342 1 43 43 PHE . 25342 1 44 44 ASP . 25342 1 45 45 ALA . 25342 1 46 46 ASP . 25342 1 47 47 MET . 25342 1 48 48 TYR . 25342 1 49 49 LYS . 25342 1 50 50 THR . 25342 1 51 51 SER . 25342 1 52 52 ASP . 25342 1 53 53 ILE . 25342 1 54 54 ALA . 25342 1 55 55 LEU . 25342 1 56 56 ASP . 25342 1 57 57 GLN . 25342 1 58 58 ILE . 25342 1 59 59 GLN . 25342 1 60 60 GLY . 25342 1 61 61 ASN . 25342 1 62 62 LYS . 25342 1 63 63 ASP . 25342 1 64 64 PHE . 25342 1 65 65 PRO . 25342 1 66 66 GLU . 25342 1 67 67 ILE . 25342 1 68 68 GLN . 25342 1 69 69 LEU . 25342 1 70 70 ASP . 25342 1 71 71 ASN . 25342 1 72 72 ILE . 25342 1 73 73 ASP . 25342 1 74 74 TYR . 25342 1 75 75 ASN . 25342 1 76 76 ASN . 25342 1 77 77 TYR . 25342 1 78 78 ASP . 25342 1 79 79 LEU . 25342 1 80 80 ILE . 25342 1 81 81 LEU . 25342 1 82 82 ILE . 25342 1 83 83 GLY . 25342 1 84 84 SER . 25342 1 85 85 PRO . 25342 1 86 86 VAL . 25342 1 87 87 TRP . 25342 1 88 88 SER . 25342 1 89 89 GLY . 25342 1 90 90 TYR . 25342 1 91 91 PRO . 25342 1 92 92 ALA . 25342 1 93 93 THR . 25342 1 94 94 PRO . 25342 1 95 95 ILE . 25342 1 96 96 LYS . 25342 1 97 97 THR . 25342 1 98 98 LEU . 25342 1 99 99 LEU . 25342 1 100 100 ASP . 25342 1 101 101 GLN . 25342 1 102 102 MET . 25342 1 103 103 LYS . 25342 1 104 104 ASN . 25342 1 105 105 TYR . 25342 1 106 106 ARG . 25342 1 107 107 GLY . 25342 1 108 108 GLU . 25342 1 109 109 VAL . 25342 1 110 110 ALA . 25342 1 111 111 SER . 25342 1 112 112 PHE . 25342 1 113 113 PHE . 25342 1 114 114 THR . 25342 1 115 115 SER . 25342 1 116 116 ALA . 25342 1 117 117 GLY . 25342 1 118 118 THR . 25342 1 119 119 ASN . 25342 1 120 120 HIS . 25342 1 121 121 LYS . 25342 1 122 122 ALA . 25342 1 123 123 TYR . 25342 1 124 124 VAL . 25342 1 125 125 SER . 25342 1 126 126 HIS . 25342 1 127 127 PHE . 25342 1 128 128 ASN . 25342 1 129 129 GLU . 25342 1 130 130 TRP . 25342 1 131 131 ALA . 25342 1 132 132 ASP . 25342 1 133 133 GLY . 25342 1 134 134 LEU . 25342 1 135 135 ASN . 25342 1 136 136 VAL . 25342 1 137 137 ILE . 25342 1 138 138 GLY . 25342 1 139 139 VAL . 25342 1 140 140 ALA . 25342 1 141 141 ARG . 25342 1 142 142 ASP . 25342 1 143 143 ASP . 25342 1 144 144 SER . 25342 1 145 145 GLU . 25342 1 146 146 VAL . 25342 1 147 147 ASP . 25342 1 148 148 LYS . 25342 1 149 149 TRP . 25342 1 150 150 SER . 25342 1 151 151 LYS . 25342 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 25342 1 . MET 2 2 25342 1 . ALA 3 3 25342 1 . LYS 4 4 25342 1 . LYS 5 5 25342 1 . THR 6 6 25342 1 . LEU 7 7 25342 1 . ILE 8 8 25342 1 . LEU 9 9 25342 1 . TYR 10 10 25342 1 . TYR 11 11 25342 1 . SER 12 12 25342 1 . TRP 13 13 25342 1 . SER 14 14 25342 1 . GLY 15 15 25342 1 . GLU 16 16 25342 1 . THR 17 17 25342 1 . LYS 18 18 25342 1 . LYS 19 19 25342 1 . MET 20 20 25342 1 . ALA 21 21 25342 1 . GLU 22 22 25342 1 . LYS 23 23 25342 1 . ILE 24 24 25342 1 . ASN 25 25 25342 1 . SER 26 26 25342 1 . GLU 27 27 25342 1 . ILE 28 28 25342 1 . LYS 29 29 25342 1 . ASP 30 30 25342 1 . SER 31 31 25342 1 . GLU 32 32 25342 1 . LEU 33 33 25342 1 . LYS 34 34 25342 1 . GLU 35 35 25342 1 . VAL 36 36 25342 1 . LYS 37 37 25342 1 . VAL 38 38 25342 1 . SER 39 39 25342 1 . GLU 40 40 25342 1 . GLY 41 41 25342 1 . THR 42 42 25342 1 . PHE 43 43 25342 1 . ASP 44 44 25342 1 . ALA 45 45 25342 1 . ASP 46 46 25342 1 . MET 47 47 25342 1 . TYR 48 48 25342 1 . LYS 49 49 25342 1 . THR 50 50 25342 1 . SER 51 51 25342 1 . ASP 52 52 25342 1 . ILE 53 53 25342 1 . ALA 54 54 25342 1 . LEU 55 55 25342 1 . ASP 56 56 25342 1 . GLN 57 57 25342 1 . ILE 58 58 25342 1 . GLN 59 59 25342 1 . GLY 60 60 25342 1 . ASN 61 61 25342 1 . LYS 62 62 25342 1 . ASP 63 63 25342 1 . PHE 64 64 25342 1 . PRO 65 65 25342 1 . GLU 66 66 25342 1 . ILE 67 67 25342 1 . GLN 68 68 25342 1 . LEU 69 69 25342 1 . ASP 70 70 25342 1 . ASN 71 71 25342 1 . ILE 72 72 25342 1 . ASP 73 73 25342 1 . TYR 74 74 25342 1 . ASN 75 75 25342 1 . ASN 76 76 25342 1 . TYR 77 77 25342 1 . ASP 78 78 25342 1 . LEU 79 79 25342 1 . ILE 80 80 25342 1 . LEU 81 81 25342 1 . ILE 82 82 25342 1 . GLY 83 83 25342 1 . SER 84 84 25342 1 . PRO 85 85 25342 1 . VAL 86 86 25342 1 . TRP 87 87 25342 1 . SER 88 88 25342 1 . GLY 89 89 25342 1 . TYR 90 90 25342 1 . PRO 91 91 25342 1 . ALA 92 92 25342 1 . THR 93 93 25342 1 . PRO 94 94 25342 1 . ILE 95 95 25342 1 . LYS 96 96 25342 1 . THR 97 97 25342 1 . LEU 98 98 25342 1 . LEU 99 99 25342 1 . ASP 100 100 25342 1 . GLN 101 101 25342 1 . MET 102 102 25342 1 . LYS 103 103 25342 1 . ASN 104 104 25342 1 . TYR 105 105 25342 1 . ARG 106 106 25342 1 . GLY 107 107 25342 1 . GLU 108 108 25342 1 . VAL 109 109 25342 1 . ALA 110 110 25342 1 . SER 111 111 25342 1 . PHE 112 112 25342 1 . PHE 113 113 25342 1 . THR 114 114 25342 1 . SER 115 115 25342 1 . ALA 116 116 25342 1 . GLY 117 117 25342 1 . THR 118 118 25342 1 . ASN 119 119 25342 1 . HIS 120 120 25342 1 . LYS 121 121 25342 1 . ALA 122 122 25342 1 . TYR 123 123 25342 1 . VAL 124 124 25342 1 . SER 125 125 25342 1 . HIS 126 126 25342 1 . PHE 127 127 25342 1 . ASN 128 128 25342 1 . GLU 129 129 25342 1 . TRP 130 130 25342 1 . ALA 131 131 25342 1 . ASP 132 132 25342 1 . GLY 133 133 25342 1 . LEU 134 134 25342 1 . ASN 135 135 25342 1 . VAL 136 136 25342 1 . ILE 137 137 25342 1 . GLY 138 138 25342 1 . VAL 139 139 25342 1 . ALA 140 140 25342 1 . ARG 141 141 25342 1 . ASP 142 142 25342 1 . ASP 143 143 25342 1 . SER 144 144 25342 1 . GLU 145 145 25342 1 . VAL 146 146 25342 1 . ASP 147 147 25342 1 . LYS 148 148 25342 1 . TRP 149 149 25342 1 . SER 150 150 25342 1 . LYS 151 151 25342 1 stop_ save_ save_entity_FMN _Entity.Sf_category entity _Entity.Sf_framecode entity_FMN _Entity.Entry_ID 25342 _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 25342 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 25342 2 FMN 'Three letter code' 25342 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 25342 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 25342 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 272621 organism . 'Lactobacillus acidophilus NCFM' firmicutes . . Bacteria . Lactobacillus acidophilus NCFM . . . . . . . . . . . . . . . . . . . . 25342 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 25342 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . SpeedET . . . . . . 25342 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 25342 _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 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 . _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 Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 25342 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' 1.5.0 25342 FMN 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 3.341 25342 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C SMILES CACTVS 3.341 25342 FMN FVTCRASFADXXNN-SCRDCRAPSA-N InChIKey InChI 1.03 25342 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 25342 FMN O=P(O)(O)OCC(O)C(O)C(O)CN2c3cc(c(cc3N=C1C2=NC(=O)NC1=O)C)C SMILES ACDLabs 10.04 25342 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 10.04 25342 FMN '[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25342 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 yes no . . . . 33.864 . 7.225 . 13.583 . -2.375 -0.670 2.115 1 . 25342 FMN C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 33.031 . 6.319 . 13.062 . -3.527 -0.439 2.740 2 . 25342 FMN O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 33.185 . 5.133 . 13.215 . -4.559 -0.724 2.160 3 . 25342 FMN N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 31.974 . 6.721 . 12.176 . -3.621 0.087 3.969 4 . 25342 FMN C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 31.788 . 8.007 . 11.826 . -2.518 0.428 4.675 5 . 25342 FMN O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 30.899 . 8.358 . 11.037 . -2.601 0.906 5.789 6 . 25342 FMN C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . 32.736 . 8.990 . 12.357 . -1.206 0.195 4.031 7 . 25342 FMN N5 N5 N5 N5 . N . . N 0 . . . 1 yes no . . . . 32.559 . 10.279 . 12.130 . -0.076 0.487 4.623 8 . 25342 FMN C5A C5A C5A C5A . C . . N 0 . . . 1 yes no . . . . 33.345 . 11.186 . 12.722 . 1.093 0.262 4.011 9 . 25342 FMN C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 33.122 . 12.607 . 12.487 . 2.299 0.584 4.665 10 . 25342 FMN C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . 33.814 . 13.518 . 13.226 . 3.490 0.356 4.046 11 . 25342 FMN C7M C7M C7M C7M . C . . N 0 . . . 1 no no . . . . 33.489 . 15.018 . 13.122 . 4.776 0.703 4.752 12 . 25342 FMN C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 34.893 . 13.117 . 14.090 . 3.534 -0.186 2.766 13 . 25342 FMN C8M C8M C8M C8M . C . . N 0 . . . 1 no no . . . . 35.812 . 14.115 . 14.778 . 4.865 -0.427 2.102 14 . 25342 FMN C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . 35.153 . 11.792 . 14.273 . 2.372 -0.515 2.104 15 . 25342 FMN C9A C9A C9A C9A . C . . N 0 . . . 1 yes no . . . . 34.382 . 10.809 . 13.674 . 1.140 -0.295 2.713 16 . 25342 FMN N10 N10 N10 N10 . N . . N 0 . . . 1 yes no . . . . 34.557 . 9.434 . 13.883 . -0.025 -0.617 2.052 17 . 25342 FMN C10 C10 C10 C10 . C . . N 0 . . . 1 yes no . . . . 33.786 . 8.495 . 13.263 . -1.213 -0.387 2.679 18 . 25342 FMN C1' C1' C1' C1* . C . . N 0 . . . 1 no no . . . . 35.554 . 8.925 . 14.861 . 0.011 -1.195 0.706 19 . 25342 FMN C2' C2' C2' C2* . C . . S 0 . . . 1 no no . . . . 34.789 . 8.587 . 16.157 . -0.020 -0.072 -0.331 20 . 25342 FMN O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 34.417 . 9.829 . 16.794 . -1.219 0.688 -0.173 21 . 25342 FMN C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 35.681 . 7.821 . 17.150 . 0.018 -0.675 -1.737 22 . 25342 FMN O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 36.849 . 8.662 . 17.488 . 1.217 -1.436 -1.895 23 . 25342 FMN C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 36.212 . 6.518 . 16.591 . -0.013 0.447 -2.775 24 . 25342 FMN O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 35.149 . 5.804 . 15.909 . -1.213 1.208 -2.617 25 . 25342 FMN C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 36.712 . 5.634 . 17.721 . 0.025 -0.156 -4.181 26 . 25342 FMN O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 35.604 . 5.252 . 18.579 . -0.005 0.892 -5.151 27 . 25342 FMN P P P P . P . . N 0 . . . 1 no no . . . . 35.837 . 4.628 . 20.038 . 0.038 0.189 -6.598 28 . 25342 FMN O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 36.585 . 5.692 . 20.802 . -1.134 -0.700 -6.750 29 . 25342 FMN O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 36.682 . 3.364 . 19.847 . 0.006 1.318 -7.745 30 . 25342 FMN O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 34.436 . 4.306 . 20.554 . 1.389 -0.676 -6.734 31 . 25342 FMN HN3 HN3 HN3 HN3 . H . . N 0 . . . 1 no no . . . . 31.316 . 6.054 . 11.771 . -4.498 0.226 4.361 32 . 25342 FMN H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 32.416 . 13.000 . 11.735 . 2.279 1.010 5.657 33 . 25342 FMN HM71 HM71 HM71 1HM7 . H . . N 0 . . . 0 no no . . . . 34.055 . 15.763 . 13.727 . 5.117 -0.156 5.328 34 . 25342 FMN HM72 HM72 HM72 2HM7 . H . . N 0 . . . 0 no no . . . . 33.554 . 15.316 . 12.049 . 5.534 0.971 4.016 35 . 25342 FMN HM73 HM73 HM73 3HM7 . H . . N 0 . . . 0 no no . . . . 32.401 . 15.154 . 13.328 . 4.606 1.546 5.422 36 . 25342 FMN HM81 HM81 HM81 1HM8 . H . . N 0 . . . 0 no no . . . . 36.647 . 13.804 . 15.447 . 5.153 0.457 1.533 37 . 25342 FMN HM82 HM82 HM82 2HM8 . H . . N 0 . . . 0 no no . . . . 36.242 . 14.773 . 13.987 . 5.619 -0.630 2.863 38 . 25342 FMN HM83 HM83 HM83 3HM8 . H . . N 0 . . . 0 no no . . . . 35.168 . 14.822 . 15.351 . 4.787 -1.281 1.430 39 . 25342 FMN H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 36.002 . 11.510 . 14.917 . 2.416 -0.939 1.111 40 . 25342 FMN H1'1 H1'1 H1'1 1H1* . H . . N 0 . . . 0 no no . . . . 36.151 . 8.068 . 14.470 . 0.926 -1.775 0.585 41 . 25342 FMN H1'2 H1'2 H1'2 2H1* . H . . N 0 . . . 0 no no . . . . 36.403 . 9.628 . 15.025 . -0.852 -1.845 0.566 42 . 25342 FMN H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 33.906 . 7.959 . 15.891 . 0.843 0.577 -0.191 43 . 25342 FMN HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 33.945 . 9.620 . 17.592 . -1.957 0.078 -0.305 44 . 25342 FMN H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 35.047 . 7.588 . 18.037 . -0.845 -1.325 -1.877 45 . 25342 FMN HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 37.399 . 8.189 . 18.101 . 1.955 -0.826 -1.764 46 . 25342 FMN H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 37.041 . 6.752 . 15.883 . 0.849 1.096 -2.635 47 . 25342 FMN HO4' HO4' HO4' *HO4 . H . . N 0 . . . 0 no no . . . . 35.482 . 4.986 . 15.558 . -1.951 0.597 -2.749 48 . 25342 FMN H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 37.272 . 4.747 . 17.342 . 0.939 -0.736 -4.302 49 . 25342 FMN H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 37.538 . 6.115 . 18.294 . -0.838 -0.806 -4.321 50 . 25342 FMN HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 36.820 . 2.994 . 20.711 . 0.034 0.856 -8.594 51 . 25342 FMN HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 34.574 . 3.936 . 21.418 . 2.127 -0.060 -6.630 52 . 25342 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 yes N 1 . 25342 FMN 2 . DOUB N1 C10 yes N 2 . 25342 FMN 3 . DOUB C2 O2 no N 3 . 25342 FMN 4 . SING C2 N3 yes N 4 . 25342 FMN 5 . SING N3 C4 yes N 5 . 25342 FMN 6 . SING N3 HN3 no N 6 . 25342 FMN 7 . DOUB C4 O4 no N 7 . 25342 FMN 8 . SING C4 C4A yes N 8 . 25342 FMN 9 . DOUB C4A N5 yes N 9 . 25342 FMN 10 . SING C4A C10 yes N 10 . 25342 FMN 11 . SING N5 C5A yes N 11 . 25342 FMN 12 . DOUB C5A C6 yes N 12 . 25342 FMN 13 . SING C5A C9A yes N 13 . 25342 FMN 14 . SING C6 C7 yes N 14 . 25342 FMN 15 . SING C6 H6 no N 15 . 25342 FMN 16 . SING C7 C7M no N 16 . 25342 FMN 17 . DOUB C7 C8 yes N 17 . 25342 FMN 18 . SING C7M HM71 no N 18 . 25342 FMN 19 . SING C7M HM72 no N 19 . 25342 FMN 20 . SING C7M HM73 no N 20 . 25342 FMN 21 . SING C8 C8M no N 21 . 25342 FMN 22 . SING C8 C9 yes N 22 . 25342 FMN 23 . SING C8M HM81 no N 23 . 25342 FMN 24 . SING C8M HM82 no N 24 . 25342 FMN 25 . SING C8M HM83 no N 25 . 25342 FMN 26 . DOUB C9 C9A yes N 26 . 25342 FMN 27 . SING C9 H9 no N 27 . 25342 FMN 28 . SING C9A N10 yes N 28 . 25342 FMN 29 . SING N10 C10 yes N 29 . 25342 FMN 30 . SING N10 C1' no N 30 . 25342 FMN 31 . SING C1' C2' no N 31 . 25342 FMN 32 . SING C1' H1'1 no N 32 . 25342 FMN 33 . SING C1' H1'2 no N 33 . 25342 FMN 34 . SING C2' O2' no N 34 . 25342 FMN 35 . SING C2' C3' no N 35 . 25342 FMN 36 . SING C2' H2' no N 36 . 25342 FMN 37 . SING O2' HO2' no N 37 . 25342 FMN 38 . SING C3' O3' no N 38 . 25342 FMN 39 . SING C3' C4' no N 39 . 25342 FMN 40 . SING C3' H3' no N 40 . 25342 FMN 41 . SING O3' HO3' no N 41 . 25342 FMN 42 . SING C4' O4' no N 42 . 25342 FMN 43 . SING C4' C5' no N 43 . 25342 FMN 44 . SING C4' H4' no N 44 . 25342 FMN 45 . SING O4' HO4' no N 45 . 25342 FMN 46 . SING C5' O5' no N 46 . 25342 FMN 47 . SING C5' H5'1 no N 47 . 25342 FMN 48 . SING C5' H5'2 no N 48 . 25342 FMN 49 . SING O5' P no N 49 . 25342 FMN 50 . DOUB P O1P no N 50 . 25342 FMN 51 . SING P O2P no N 51 . 25342 FMN 52 . SING P O3P no N 52 . 25342 FMN 53 . SING O2P HOP2 no N 53 . 25342 FMN 54 . SING O3P HOP3 no N 54 . 25342 FMN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25342 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 25342 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25342 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25342 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 25342 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25342 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25342 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 25342 _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 temperature 298 . K 25342 1 pH 6.0 . pH 25342 1 pressure 1 . atm 25342 1 'ionic strength' 0.0798 . M 25342 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25342 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25342 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25342 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25342 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 25342 2 'Herrmann, Guntert and Wuthrich' . . 25342 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25342 2 'peak picking' 25342 2 'chemical shift assignment' 25342 2 'structure solution' 25342 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25342 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25342 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25342 3 processing 25342 3 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 25342 _Software.ID 4 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 25342 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25342 4 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 25342 _Software.ID 5 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 25342 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25342 5 stop_ save_ save_j-UNIO _Software.Sf_category software _Software.Sf_framecode j-UNIO _Software.Entry_ID 25342 _Software.ID 6 _Software.Name j-UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Volk, Fiorito, Damberger, Guntert and Wuthrich' . . 25342 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25342 6 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 25342 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25342 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25342 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25342 1 2 spectrometer_2 Bruker Avance . 800 . . . 25342 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 25342 _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 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25342 1 2 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25342 1 3 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25342 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25342 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25342 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25342 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25342 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 25342 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25342 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25342 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25342 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 25342 _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 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.166 _Assigned_chem_shift_list.Chem_shift_15N_err 0.121 _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 'APSY 4D-HACANH' . . . 25342 1 2 'APSY 5D-HACACONH' . . . 25342 1 3 'APSY 5D-CBCACONH' . . . 25342 1 5 '3D 1H-15N NOESY' . . . 25342 1 6 '3D 1H-13C NOESY aliphatic' . . . 25342 1 7 '3D 1H-13C NOESY aromatic' . . . 25342 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 6 $j-UNIO . . 25342 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 3 3 ALA H H 1 8.325 0.007 . 1 . . . A 3 ALA H . 25342 1 2 . 1 1 3 3 ALA HA H 1 4.365 0.007 . 1 . . . A 3 ALA HA . 25342 1 3 . 1 1 3 3 ALA HB1 H 1 1.332 0.007 . 1 . . . A 3 ALA QB . 25342 1 4 . 1 1 3 3 ALA HB2 H 1 1.332 0.007 . 1 . . . A 3 ALA QB . 25342 1 5 . 1 1 3 3 ALA HB3 H 1 1.332 0.007 . 1 . . . A 3 ALA QB . 25342 1 6 . 1 1 3 3 ALA CA C 13 49.298 0.164 . 1 . . . A 3 ALA CA . 25342 1 7 . 1 1 3 3 ALA CB C 13 16.859 0.164 . 1 . . . A 3 ALA CB . 25342 1 8 . 1 1 3 3 ALA N N 15 125.638 0.121 . 1 . . . A 3 ALA N . 25342 1 9 . 1 1 4 4 LYS H H 1 8.486 0.007 . 1 . . . A 4 LYS H . 25342 1 10 . 1 1 4 4 LYS HA H 1 4.227 0.007 . 1 . . . A 4 LYS HA . 25342 1 11 . 1 1 4 4 LYS HB2 H 1 1.477 0.007 . 2 . . . A 4 LYS HB2 . 25342 1 12 . 1 1 4 4 LYS HB3 H 1 1.647 0.007 . 2 . . . A 4 LYS HB3 . 25342 1 13 . 1 1 4 4 LYS HG2 H 1 1.284 0.007 . 2 . . . A 4 LYS HG2 . 25342 1 14 . 1 1 4 4 LYS HG3 H 1 1.393 0.007 . 2 . . . A 4 LYS HG3 . 25342 1 15 . 1 1 4 4 LYS HD2 H 1 1.521 0.007 . 2 . . . A 4 LYS HD2 . 25342 1 16 . 1 1 4 4 LYS HD3 H 1 1.618 0.007 . 2 . . . A 4 LYS HD3 . 25342 1 17 . 1 1 4 4 LYS HE2 H 1 2.819 0.007 . 1 . . . A 4 LYS QE . 25342 1 18 . 1 1 4 4 LYS HE3 H 1 2.819 0.007 . 1 . . . A 4 LYS QE . 25342 1 19 . 1 1 4 4 LYS C C 13 174.574 0.164 . 1 . . . A 4 LYS C . 25342 1 20 . 1 1 4 4 LYS CA C 13 53.781 0.164 . 1 . . . A 4 LYS CA . 25342 1 21 . 1 1 4 4 LYS CB C 13 31.490 0.164 . 1 . . . A 4 LYS CB . 25342 1 22 . 1 1 4 4 LYS CG C 13 23.023 0.164 . 1 . . . A 4 LYS CG . 25342 1 23 . 1 1 4 4 LYS CD C 13 28.196 0.164 . 1 . . . A 4 LYS CD . 25342 1 24 . 1 1 4 4 LYS CE C 13 39.385 0.164 . 1 . . . A 4 LYS CE . 25342 1 25 . 1 1 4 4 LYS N N 15 121.813 0.121 . 1 . . . A 4 LYS N . 25342 1 26 . 1 1 5 5 LYS H H 1 10.015 0.007 . 1 . . . A 5 LYS H . 25342 1 27 . 1 1 5 5 LYS HA H 1 4.518 0.007 . 1 . . . A 5 LYS HA . 25342 1 28 . 1 1 5 5 LYS HB2 H 1 1.870 0.007 . 1 . . . A 5 LYS QB . 25342 1 29 . 1 1 5 5 LYS HB3 H 1 1.870 0.007 . 1 . . . A 5 LYS QB . 25342 1 30 . 1 1 5 5 LYS HG2 H 1 1.465 0.007 . 2 . . . A 5 LYS HG2 . 25342 1 31 . 1 1 5 5 LYS HG3 H 1 1.568 0.007 . 2 . . . A 5 LYS HG3 . 25342 1 32 . 1 1 5 5 LYS C C 13 174.720 0.164 . 1 . . . A 5 LYS C . 25342 1 33 . 1 1 5 5 LYS CA C 13 54.722 0.164 . 1 . . . A 5 LYS CA . 25342 1 34 . 1 1 5 5 LYS CB C 13 29.785 0.164 . 1 . . . A 5 LYS CB . 25342 1 35 . 1 1 5 5 LYS CG C 13 22.211 0.164 . 1 . . . A 5 LYS CG . 25342 1 36 . 1 1 5 5 LYS N N 15 129.722 0.121 . 1 . . . A 5 LYS N . 25342 1 37 . 1 1 6 6 THR H H 1 8.538 0.007 . 1 . . . A 6 THR H . 25342 1 38 . 1 1 6 6 THR HA H 1 5.654 0.007 . 1 . . . A 6 THR HA . 25342 1 39 . 1 1 6 6 THR HB H 1 3.719 0.007 . 1 . . . A 6 THR HB . 25342 1 40 . 1 1 6 6 THR HG21 H 1 0.979 0.007 . 1 . . . A 6 THR QG2 . 25342 1 41 . 1 1 6 6 THR HG22 H 1 0.979 0.007 . 1 . . . A 6 THR QG2 . 25342 1 42 . 1 1 6 6 THR HG23 H 1 0.979 0.007 . 1 . . . A 6 THR QG2 . 25342 1 43 . 1 1 6 6 THR C C 13 169.926 0.164 . 1 . . . A 6 THR C . 25342 1 44 . 1 1 6 6 THR CA C 13 60.598 0.164 . 1 . . . A 6 THR CA . 25342 1 45 . 1 1 6 6 THR CB C 13 68.041 0.164 . 1 . . . A 6 THR CB . 25342 1 46 . 1 1 6 6 THR CG2 C 13 18.403 0.164 . 1 . . . A 6 THR CG2 . 25342 1 47 . 1 1 6 6 THR N N 15 126.254 0.121 . 1 . . . A 6 THR N . 25342 1 48 . 1 1 7 7 LEU H H 1 8.575 0.007 . 1 . . . A 7 LEU H . 25342 1 49 . 1 1 7 7 LEU HA H 1 4.594 0.007 . 1 . . . A 7 LEU HA . 25342 1 50 . 1 1 7 7 LEU HB2 H 1 -0.242 0.007 . 2 . . . A 7 LEU HB2 . 25342 1 51 . 1 1 7 7 LEU HB3 H 1 1.172 0.007 . 2 . . . A 7 LEU HB3 . 25342 1 52 . 1 1 7 7 LEU HG H 1 0.393 0.007 . 1 . . . A 7 LEU HG . 25342 1 53 . 1 1 7 7 LEU HD11 H 1 0.413 0.007 . 1 . . . A 7 LEU QQD . 25342 1 54 . 1 1 7 7 LEU HD12 H 1 0.413 0.007 . 1 . . . A 7 LEU QQD . 25342 1 55 . 1 1 7 7 LEU HD13 H 1 0.413 0.007 . 1 . . . A 7 LEU QQD . 25342 1 56 . 1 1 7 7 LEU HD21 H 1 0.413 0.007 . 1 . . . A 7 LEU QQD . 25342 1 57 . 1 1 7 7 LEU HD22 H 1 0.413 0.007 . 1 . . . A 7 LEU QQD . 25342 1 58 . 1 1 7 7 LEU HD23 H 1 0.413 0.007 . 1 . . . A 7 LEU QQD . 25342 1 59 . 1 1 7 7 LEU C C 13 170.404 0.164 . 1 . . . A 7 LEU C . 25342 1 60 . 1 1 7 7 LEU CA C 13 49.933 0.164 . 1 . . . A 7 LEU CA . 25342 1 61 . 1 1 7 7 LEU CB C 13 40.728 0.164 . 1 . . . A 7 LEU CB . 25342 1 62 . 1 1 7 7 LEU CG C 13 24.235 0.164 . 1 . . . A 7 LEU CG . 25342 1 63 . 1 1 7 7 LEU CD1 C 13 19.382 0.164 . 2 . . . A 7 LEU CD1 . 25342 1 64 . 1 1 7 7 LEU N N 15 130.775 0.121 . 1 . . . A 7 LEU N . 25342 1 65 . 1 1 8 8 ILE H H 1 9.217 0.007 . 1 . . . A 8 ILE H . 25342 1 66 . 1 1 8 8 ILE HA H 1 4.848 0.007 . 1 . . . A 8 ILE HA . 25342 1 67 . 1 1 8 8 ILE HB H 1 1.913 0.007 . 1 . . . A 8 ILE HB . 25342 1 68 . 1 1 8 8 ILE HG12 H 1 1.583 0.007 . 2 . . . A 8 ILE HG12 . 25342 1 69 . 1 1 8 8 ILE HG13 H 1 0.850 0.007 . 2 . . . A 8 ILE HG13 . 25342 1 70 . 1 1 8 8 ILE HG21 H 1 0.958 0.007 . 1 . . . A 8 ILE QG2 . 25342 1 71 . 1 1 8 8 ILE HG22 H 1 0.958 0.007 . 1 . . . A 8 ILE QG2 . 25342 1 72 . 1 1 8 8 ILE HG23 H 1 0.958 0.007 . 1 . . . A 8 ILE QG2 . 25342 1 73 . 1 1 8 8 ILE HD11 H 1 0.808 0.007 . 1 . . . A 8 ILE QD1 . 25342 1 74 . 1 1 8 8 ILE HD12 H 1 0.808 0.007 . 1 . . . A 8 ILE QD1 . 25342 1 75 . 1 1 8 8 ILE HD13 H 1 0.808 0.007 . 1 . . . A 8 ILE QD1 . 25342 1 76 . 1 1 8 8 ILE C C 13 170.936 0.164 . 1 . . . A 8 ILE C . 25342 1 77 . 1 1 8 8 ILE CA C 13 57.252 0.164 . 1 . . . A 8 ILE CA . 25342 1 78 . 1 1 8 8 ILE CB C 13 36.935 0.164 . 1 . . . A 8 ILE CB . 25342 1 79 . 1 1 8 8 ILE CG1 C 13 25.459 0.164 . 1 . . . A 8 ILE CG1 . 25342 1 80 . 1 1 8 8 ILE CG2 C 13 16.088 0.164 . 1 . . . A 8 ILE CG2 . 25342 1 81 . 1 1 8 8 ILE CD1 C 13 13.291 0.164 . 1 . . . A 8 ILE CD1 . 25342 1 82 . 1 1 8 8 ILE N N 15 127.242 0.121 . 1 . . . A 8 ILE N . 25342 1 83 . 1 1 9 9 LEU H H 1 9.248 0.007 . 1 . . . A 9 LEU H . 25342 1 84 . 1 1 9 9 LEU HA H 1 5.694 0.007 . 1 . . . A 9 LEU HA . 25342 1 85 . 1 1 9 9 LEU HB2 H 1 1.558 0.007 . 2 . . . A 9 LEU HB2 . 25342 1 86 . 1 1 9 9 LEU HB3 H 1 1.048 0.007 . 2 . . . A 9 LEU HB3 . 25342 1 87 . 1 1 9 9 LEU HG H 1 1.364 0.007 . 1 . . . A 9 LEU HG . 25342 1 88 . 1 1 9 9 LEU HD11 H 1 0.771 0.007 . 1 . . . A 9 LEU QD1 . 25342 1 89 . 1 1 9 9 LEU HD12 H 1 0.771 0.007 . 1 . . . A 9 LEU QD1 . 25342 1 90 . 1 1 9 9 LEU HD13 H 1 0.771 0.007 . 1 . . . A 9 LEU QD1 . 25342 1 91 . 1 1 9 9 LEU HD21 H 1 0.772 0.007 . 2 . . . A 9 LEU QD2 . 25342 1 92 . 1 1 9 9 LEU HD22 H 1 0.772 0.007 . 2 . . . A 9 LEU QD2 . 25342 1 93 . 1 1 9 9 LEU HD23 H 1 0.772 0.007 . 2 . . . A 9 LEU QD2 . 25342 1 94 . 1 1 9 9 LEU C C 13 173.824 0.164 . 1 . . . A 9 LEU C . 25342 1 95 . 1 1 9 9 LEU CA C 13 49.839 0.164 . 1 . . . A 9 LEU CA . 25342 1 96 . 1 1 9 9 LEU CB C 13 43.963 0.164 . 1 . . . A 9 LEU CB . 25342 1 97 . 1 1 9 9 LEU CG C 13 24.652 0.164 . 1 . . . A 9 LEU CG . 25342 1 98 . 1 1 9 9 LEU CD1 C 13 23.042 0.164 . 1 . . . A 9 LEU CD1 . 25342 1 99 . 1 1 9 9 LEU CD2 C 13 24.900 0.164 . 2 . . . A 9 LEU CD2 . 25342 1 100 . 1 1 9 9 LEU N N 15 127.183 0.121 . 1 . . . A 9 LEU N . 25342 1 101 . 1 1 10 10 TYR H H 1 7.306 0.007 . 1 . . . A 10 TYR H . 25342 1 102 . 1 1 10 10 TYR HA H 1 5.514 0.007 . 1 . . . A 10 TYR HA . 25342 1 103 . 1 1 10 10 TYR HB2 H 1 2.442 0.007 . 2 . . . A 10 TYR HB2 . 25342 1 104 . 1 1 10 10 TYR HB3 H 1 2.620 0.007 . 2 . . . A 10 TYR HB3 . 25342 1 105 . 1 1 10 10 TYR HD1 H 1 6.676 0.007 . 1 . . . A 10 TYR QD . 25342 1 106 . 1 1 10 10 TYR HD2 H 1 6.676 0.007 . 1 . . . A 10 TYR QD . 25342 1 107 . 1 1 10 10 TYR C C 13 167.898 0.164 . 1 . . . A 10 TYR C . 25342 1 108 . 1 1 10 10 TYR CA C 13 52.875 0.164 . 1 . . . A 10 TYR CA . 25342 1 109 . 1 1 10 10 TYR CB C 13 38.436 0.164 . 1 . . . A 10 TYR CB . 25342 1 110 . 1 1 10 10 TYR CD1 C 13 122.946 0.164 . 3 . . . A 10 TYR CD1 . 25342 1 111 . 1 1 10 10 TYR N N 15 113.330 0.121 . 1 . . . A 10 TYR N . 25342 1 112 . 1 1 11 11 TYR H H 1 7.891 0.007 . 1 . . . A 11 TYR H . 25342 1 113 . 1 1 11 11 TYR HA H 1 4.762 0.007 . 1 . . . A 11 TYR HA . 25342 1 114 . 1 1 11 11 TYR HB2 H 1 2.367 0.007 . 2 . . . A 11 TYR HB2 . 25342 1 115 . 1 1 11 11 TYR HB3 H 1 2.602 0.007 . 2 . . . A 11 TYR HB3 . 25342 1 116 . 1 1 11 11 TYR HD1 H 1 7.322 0.007 . 3 . . . A 11 TYR HD1 . 25342 1 117 . 1 1 11 11 TYR HD2 H 1 6.099 0.007 . 3 . . . A 11 TYR HD2 . 25342 1 118 . 1 1 11 11 TYR HE1 H 1 7.049 0.007 . 1 . . . A 11 TYR QE . 25342 1 119 . 1 1 11 11 TYR HE2 H 1 7.049 0.007 . 1 . . . A 11 TYR QE . 25342 1 120 . 1 1 11 11 TYR C C 13 169.698 0.164 . 1 . . . A 11 TYR C . 25342 1 121 . 1 1 11 11 TYR CA C 13 54.047 0.164 . 1 . . . A 11 TYR CA . 25342 1 122 . 1 1 11 11 TYR CB C 13 40.538 0.164 . 1 . . . A 11 TYR CB . 25342 1 123 . 1 1 11 11 TYR CD1 C 13 127.392 0.164 . 3 . . . A 11 TYR CD1 . 25342 1 124 . 1 1 11 11 TYR CD2 C 13 127.652 0.164 . 3 . . . A 11 TYR CD2 . 25342 1 125 . 1 1 11 11 TYR CE2 C 13 114.281 0.164 . 3 . . . A 11 TYR CE2 . 25342 1 126 . 1 1 11 11 TYR N N 15 121.297 0.121 . 1 . . . A 11 TYR N . 25342 1 127 . 1 1 12 12 SER H H 1 7.557 0.007 . 1 . . . A 12 SER H . 25342 1 128 . 1 1 12 12 SER HA H 1 4.679 0.007 . 1 . . . A 12 SER HA . 25342 1 129 . 1 1 12 12 SER HB2 H 1 3.286 0.007 . 2 . . . A 12 SER HB2 . 25342 1 130 . 1 1 12 12 SER HB3 H 1 3.632 0.007 . 2 . . . A 12 SER HB3 . 25342 1 131 . 1 1 12 12 SER C C 13 170.075 0.164 . 1 . . . A 12 SER C . 25342 1 132 . 1 1 12 12 SER CA C 13 53.619 0.164 . 1 . . . A 12 SER CA . 25342 1 133 . 1 1 12 12 SER CB C 13 62.847 0.164 . 1 . . . A 12 SER CB . 25342 1 134 . 1 1 12 12 SER N N 15 117.763 0.121 . 1 . . . A 12 SER N . 25342 1 135 . 1 1 13 13 TRP H H 1 9.755 0.007 . 1 . . . A 13 TRP H . 25342 1 136 . 1 1 13 13 TRP HA H 1 4.636 0.007 . 1 . . . A 13 TRP HA . 25342 1 137 . 1 1 13 13 TRP HB2 H 1 3.793 0.007 . 1 . . . A 13 TRP HB2 . 25342 1 138 . 1 1 13 13 TRP HB3 H 1 4.230 0.007 . 1 . . . A 13 TRP HB3 . 25342 1 139 . 1 1 13 13 TRP HE1 H 1 10.917 0.007 . 1 . . . A 13 TRP HE1 . 25342 1 140 . 1 1 13 13 TRP HE3 H 1 7.224 0.007 . 1 . . . A 13 TRP HE3 . 25342 1 141 . 1 1 13 13 TRP HZ2 H 1 6.883 0.007 . 1 . . . A 13 TRP HZ2 . 25342 1 142 . 1 1 13 13 TRP C C 13 175.708 0.164 . 1 . . . A 13 TRP C . 25342 1 143 . 1 1 13 13 TRP CA C 13 58.116 0.164 . 1 . . . A 13 TRP CA . 25342 1 144 . 1 1 13 13 TRP CB C 13 27.635 0.164 . 1 . . . A 13 TRP CB . 25342 1 145 . 1 1 13 13 TRP CE3 C 13 116.858 0.164 . 1 . . . A 13 TRP CE3 . 25342 1 146 . 1 1 13 13 TRP CZ2 C 13 109.100 0.164 . 1 . . . A 13 TRP CZ2 . 25342 1 147 . 1 1 13 13 TRP N N 15 135.232 0.121 . 1 . . . A 13 TRP N . 25342 1 148 . 1 1 13 13 TRP NE1 N 15 129.932 0.121 . 1 . . . A 13 TRP NE1 . 25342 1 149 . 1 1 14 14 SER H H 1 10.026 0.007 . 1 . . . A 14 SER H . 25342 1 150 . 1 1 14 14 SER HA H 1 4.223 0.007 . 1 . . . A 14 SER HA . 25342 1 151 . 1 1 14 14 SER HB2 H 1 4.348 0.007 . 1 . . . A 14 SER QB . 25342 1 152 . 1 1 14 14 SER HB3 H 1 4.348 0.007 . 1 . . . A 14 SER QB . 25342 1 153 . 1 1 14 14 SER C C 13 172.747 0.164 . 1 . . . A 14 SER C . 25342 1 154 . 1 1 14 14 SER CA C 13 53.828 0.164 . 1 . . . A 14 SER CA . 25342 1 155 . 1 1 14 14 SER CB C 13 60.037 0.164 . 1 . . . A 14 SER CB . 25342 1 156 . 1 1 14 14 SER N N 15 113.789 0.121 . 1 . . . A 14 SER N . 25342 1 157 . 1 1 15 15 GLY H H 1 7.391 0.007 . 1 . . . A 15 GLY H . 25342 1 158 . 1 1 15 15 GLY HA2 H 1 4.279 0.007 . 2 . . . A 15 GLY HA2 . 25342 1 159 . 1 1 15 15 GLY HA3 H 1 3.612 0.007 . 2 . . . A 15 GLY HA3 . 25342 1 160 . 1 1 15 15 GLY CA C 13 44.659 0.164 . 1 . . . A 15 GLY CA . 25342 1 161 . 1 1 15 15 GLY N N 15 110.489 0.121 . 1 . . . A 15 GLY N . 25342 1 162 . 1 1 16 16 GLU H H 1 11.550 0.007 . 1 . . . A 16 GLU H . 25342 1 163 . 1 1 16 16 GLU HA H 1 4.063 0.007 . 1 . . . A 16 GLU HA . 25342 1 164 . 1 1 16 16 GLU HB2 H 1 2.466 0.007 . 2 . . . A 16 GLU HB2 . 25342 1 165 . 1 1 16 16 GLU HB3 H 1 1.996 0.007 . 2 . . . A 16 GLU HB3 . 25342 1 166 . 1 1 16 16 GLU HG2 H 1 2.309 0.007 . 2 . . . A 16 GLU HG2 . 25342 1 167 . 1 1 16 16 GLU HG3 H 1 2.480 0.007 . 2 . . . A 16 GLU HG3 . 25342 1 168 . 1 1 16 16 GLU CA C 13 56.761 0.164 . 1 . . . A 16 GLU CA . 25342 1 169 . 1 1 16 16 GLU CB C 13 26.412 0.164 . 1 . . . A 16 GLU CB . 25342 1 170 . 1 1 16 16 GLU CG C 13 33.539 0.164 . 1 . . . A 16 GLU CG . 25342 1 171 . 1 1 16 16 GLU N N 15 129.005 0.121 . 1 . . . A 16 GLU N . 25342 1 172 . 1 1 17 17 THR H H 1 11.293 0.007 . 1 . . . A 17 THR H . 25342 1 173 . 1 1 17 17 THR HA H 1 4.035 0.007 . 1 . . . A 17 THR HA . 25342 1 174 . 1 1 17 17 THR HB H 1 3.677 0.007 . 1 . . . A 17 THR HB . 25342 1 175 . 1 1 17 17 THR HG21 H 1 0.995 0.007 . 1 . . . A 17 THR QG2 . 25342 1 176 . 1 1 17 17 THR HG22 H 1 0.995 0.007 . 1 . . . A 17 THR QG2 . 25342 1 177 . 1 1 17 17 THR HG23 H 1 0.995 0.007 . 1 . . . A 17 THR QG2 . 25342 1 178 . 1 1 17 17 THR C C 13 173.360 0.164 . 1 . . . A 17 THR C . 25342 1 179 . 1 1 17 17 THR CA C 13 64.303 0.164 . 1 . . . A 17 THR CA . 25342 1 180 . 1 1 17 17 THR CB C 13 63.999 0.164 . 1 . . . A 17 THR CB . 25342 1 181 . 1 1 17 17 THR CG2 C 13 18.823 0.164 . 1 . . . A 17 THR CG2 . 25342 1 182 . 1 1 17 17 THR N N 15 123.016 0.121 . 1 . . . A 17 THR N . 25342 1 183 . 1 1 18 18 LYS H H 1 6.940 0.007 . 1 . . . A 18 LYS H . 25342 1 184 . 1 1 18 18 LYS HA H 1 2.856 0.007 . 1 . . . A 18 LYS HA . 25342 1 185 . 1 1 18 18 LYS HB2 H 1 1.490 0.007 . 2 . . . A 18 LYS HB2 . 25342 1 186 . 1 1 18 18 LYS HB3 H 1 1.677 0.007 . 2 . . . A 18 LYS HB3 . 25342 1 187 . 1 1 18 18 LYS HG2 H 1 0.892 0.007 . 2 . . . A 18 LYS HG2 . 25342 1 188 . 1 1 18 18 LYS HG3 H 1 1.115 0.007 . 2 . . . A 18 LYS HG3 . 25342 1 189 . 1 1 18 18 LYS HD2 H 1 1.582 0.007 . 1 . . . A 18 LYS QD . 25342 1 190 . 1 1 18 18 LYS HD3 H 1 1.582 0.007 . 1 . . . A 18 LYS QD . 25342 1 191 . 1 1 18 18 LYS HE2 H 1 2.877 0.007 . 1 . . . A 18 LYS QE . 25342 1 192 . 1 1 18 18 LYS HE3 H 1 2.877 0.007 . 1 . . . A 18 LYS QE . 25342 1 193 . 1 1 18 18 LYS C C 13 173.901 0.164 . 1 . . . A 18 LYS C . 25342 1 194 . 1 1 18 18 LYS CA C 13 56.834 0.164 . 1 . . . A 18 LYS CA . 25342 1 195 . 1 1 18 18 LYS CB C 13 29.481 0.164 . 1 . . . A 18 LYS CB . 25342 1 196 . 1 1 18 18 LYS CG C 13 21.119 0.164 . 1 . . . A 18 LYS CG . 25342 1 197 . 1 1 18 18 LYS CD C 13 25.692 0.164 . 1 . . . A 18 LYS CD . 25342 1 198 . 1 1 18 18 LYS CE C 13 39.445 0.164 . 1 . . . A 18 LYS CE . 25342 1 199 . 1 1 18 18 LYS N N 15 120.156 0.121 . 1 . . . A 18 LYS N . 25342 1 200 . 1 1 19 19 LYS H H 1 7.212 0.007 . 1 . . . A 19 LYS H . 25342 1 201 . 1 1 19 19 LYS HA H 1 3.923 0.007 . 1 . . . A 19 LYS HA . 25342 1 202 . 1 1 19 19 LYS HB2 H 1 1.724 0.007 . 2 . . . A 19 LYS HB2 . 25342 1 203 . 1 1 19 19 LYS HB3 H 1 1.804 0.007 . 2 . . . A 19 LYS HB3 . 25342 1 204 . 1 1 19 19 LYS HG2 H 1 1.383 0.007 . 2 . . . A 19 LYS HG2 . 25342 1 205 . 1 1 19 19 LYS HG3 H 1 1.551 0.007 . 2 . . . A 19 LYS HG3 . 25342 1 206 . 1 1 19 19 LYS HD2 H 1 1.579 0.007 . 2 . . . A 19 LYS HD2 . 25342 1 207 . 1 1 19 19 LYS HD3 H 1 1.663 0.007 . 2 . . . A 19 LYS HD3 . 25342 1 208 . 1 1 19 19 LYS HE2 H 1 2.867 0.007 . 1 . . . A 19 LYS QE . 25342 1 209 . 1 1 19 19 LYS HE3 H 1 2.867 0.007 . 1 . . . A 19 LYS QE . 25342 1 210 . 1 1 19 19 LYS CA C 13 56.324 0.164 . 1 . . . A 19 LYS CA . 25342 1 211 . 1 1 19 19 LYS CB C 13 29.361 0.164 . 1 . . . A 19 LYS CB . 25342 1 212 . 1 1 19 19 LYS CG C 13 22.758 0.164 . 1 . . . A 19 LYS CG . 25342 1 213 . 1 1 19 19 LYS CD C 13 27.000 0.164 . 1 . . . A 19 LYS CD . 25342 1 214 . 1 1 19 19 LYS CE C 13 39.419 0.164 . 1 . . . A 19 LYS CE . 25342 1 215 . 1 1 19 19 LYS N N 15 117.237 0.121 . 1 . . . A 19 LYS N . 25342 1 216 . 1 1 20 20 MET H H 1 7.600 0.007 . 1 . . . A 20 MET H . 25342 1 217 . 1 1 20 20 MET HA H 1 4.413 0.007 . 1 . . . A 20 MET HA . 25342 1 218 . 1 1 20 20 MET HB2 H 1 1.986 0.007 . 2 . . . A 20 MET HB2 . 25342 1 219 . 1 1 20 20 MET HB3 H 1 2.095 0.007 . 2 . . . A 20 MET HB3 . 25342 1 220 . 1 1 20 20 MET HG2 H 1 1.958 0.007 . 2 . . . A 20 MET HG2 . 25342 1 221 . 1 1 20 20 MET HG3 H 1 2.411 0.007 . 2 . . . A 20 MET HG3 . 25342 1 222 . 1 1 20 20 MET HE1 H 1 1.846 0.007 . 1 . . . A 20 MET QE . 25342 1 223 . 1 1 20 20 MET HE2 H 1 1.846 0.007 . 1 . . . A 20 MET QE . 25342 1 224 . 1 1 20 20 MET HE3 H 1 1.846 0.007 . 1 . . . A 20 MET QE . 25342 1 225 . 1 1 20 20 MET C C 13 173.625 0.164 . 1 . . . A 20 MET C . 25342 1 226 . 1 1 20 20 MET CA C 13 52.261 0.164 . 1 . . . A 20 MET CA . 25342 1 227 . 1 1 20 20 MET CB C 13 26.680 0.164 . 1 . . . A 20 MET CB . 25342 1 228 . 1 1 20 20 MET CG C 13 28.461 0.164 . 1 . . . A 20 MET CG . 25342 1 229 . 1 1 20 20 MET CE C 13 11.631 0.164 . 1 . . . A 20 MET CE . 25342 1 230 . 1 1 20 20 MET N N 15 119.268 0.121 . 1 . . . A 20 MET N . 25342 1 231 . 1 1 21 21 ALA H H 1 8.738 0.007 . 1 . . . A 21 ALA H . 25342 1 232 . 1 1 21 21 ALA HA H 1 3.482 0.007 . 1 . . . A 21 ALA HA . 25342 1 233 . 1 1 21 21 ALA HB1 H 1 0.957 0.007 . 1 . . . A 21 ALA QB . 25342 1 234 . 1 1 21 21 ALA HB2 H 1 0.957 0.007 . 1 . . . A 21 ALA QB . 25342 1 235 . 1 1 21 21 ALA HB3 H 1 0.957 0.007 . 1 . . . A 21 ALA QB . 25342 1 236 . 1 1 21 21 ALA C C 13 176.628 0.164 . 1 . . . A 21 ALA C . 25342 1 237 . 1 1 21 21 ALA CA C 13 52.374 0.164 . 1 . . . A 21 ALA CA . 25342 1 238 . 1 1 21 21 ALA CB C 13 16.495 0.164 . 1 . . . A 21 ALA CB . 25342 1 239 . 1 1 21 21 ALA N N 15 123.669 0.121 . 1 . . . A 21 ALA N . 25342 1 240 . 1 1 22 22 GLU H H 1 7.959 0.007 . 1 . . . A 22 GLU H . 25342 1 241 . 1 1 22 22 GLU HA H 1 3.673 0.007 . 1 . . . A 22 GLU HA . 25342 1 242 . 1 1 22 22 GLU HB2 H 1 2.026 0.007 . 2 . . . A 22 GLU HB2 . 25342 1 243 . 1 1 22 22 GLU HB3 H 1 1.752 0.007 . 2 . . . A 22 GLU HB3 . 25342 1 244 . 1 1 22 22 GLU HG2 H 1 1.995 0.007 . 2 . . . A 22 GLU HG2 . 25342 1 245 . 1 1 22 22 GLU HG3 H 1 2.261 0.007 . 2 . . . A 22 GLU HG3 . 25342 1 246 . 1 1 22 22 GLU C C 13 176.698 0.164 . 1 . . . A 22 GLU C . 25342 1 247 . 1 1 22 22 GLU CA C 13 56.540 0.164 . 1 . . . A 22 GLU CA . 25342 1 248 . 1 1 22 22 GLU CB C 13 26.434 0.164 . 1 . . . A 22 GLU CB . 25342 1 249 . 1 1 22 22 GLU CG C 13 34.126 0.164 . 1 . . . A 22 GLU CG . 25342 1 250 . 1 1 22 22 GLU N N 15 117.242 0.121 . 1 . . . A 22 GLU N . 25342 1 251 . 1 1 23 23 LYS H H 1 7.703 0.007 . 1 . . . A 23 LYS H . 25342 1 252 . 1 1 23 23 LYS HA H 1 3.821 0.007 . 1 . . . A 23 LYS HA . 25342 1 253 . 1 1 23 23 LYS HB2 H 1 1.714 0.007 . 2 . . . A 23 LYS HB2 . 25342 1 254 . 1 1 23 23 LYS HB3 H 1 2.050 0.007 . 2 . . . A 23 LYS HB3 . 25342 1 255 . 1 1 23 23 LYS HG2 H 1 1.186 0.007 . 2 . . . A 23 LYS HG2 . 25342 1 256 . 1 1 23 23 LYS HG3 H 1 1.110 0.007 . 2 . . . A 23 LYS HG3 . 25342 1 257 . 1 1 23 23 LYS HD2 H 1 1.369 0.007 . 2 . . . A 23 LYS HD2 . 25342 1 258 . 1 1 23 23 LYS HD3 H 1 1.433 0.007 . 2 . . . A 23 LYS HD3 . 25342 1 259 . 1 1 23 23 LYS HE2 H 1 2.745 0.007 . 1 . . . A 23 LYS QE . 25342 1 260 . 1 1 23 23 LYS HE3 H 1 2.745 0.007 . 1 . . . A 23 LYS QE . 25342 1 261 . 1 1 23 23 LYS C C 13 177.389 0.164 . 1 . . . A 23 LYS C . 25342 1 262 . 1 1 23 23 LYS CA C 13 56.922 0.164 . 1 . . . A 23 LYS CA . 25342 1 263 . 1 1 23 23 LYS CB C 13 29.514 0.164 . 1 . . . A 23 LYS CB . 25342 1 264 . 1 1 23 23 LYS CG C 13 21.929 0.164 . 1 . . . A 23 LYS CG . 25342 1 265 . 1 1 23 23 LYS CD C 13 27.139 0.164 . 1 . . . A 23 LYS CD . 25342 1 266 . 1 1 23 23 LYS CE C 13 39.261 0.164 . 1 . . . A 23 LYS CE . 25342 1 267 . 1 1 23 23 LYS N N 15 123.302 0.121 . 1 . . . A 23 LYS N . 25342 1 268 . 1 1 24 24 ILE H H 1 8.535 0.007 . 1 . . . A 24 ILE H . 25342 1 269 . 1 1 24 24 ILE HA H 1 3.283 0.007 . 1 . . . A 24 ILE HA . 25342 1 270 . 1 1 24 24 ILE HB H 1 1.232 0.007 . 1 . . . A 24 ILE HB . 25342 1 271 . 1 1 24 24 ILE HG12 H 1 0.366 0.007 . 2 . . . A 24 ILE HG12 . 25342 1 272 . 1 1 24 24 ILE HG13 H 1 1.371 0.007 . 2 . . . A 24 ILE HG13 . 25342 1 273 . 1 1 24 24 ILE HG21 H 1 0.491 0.007 . 1 . . . A 24 ILE QG2 . 25342 1 274 . 1 1 24 24 ILE HG22 H 1 0.491 0.007 . 1 . . . A 24 ILE QG2 . 25342 1 275 . 1 1 24 24 ILE HG23 H 1 0.491 0.007 . 1 . . . A 24 ILE QG2 . 25342 1 276 . 1 1 24 24 ILE HD11 H 1 -0.676 0.007 . 1 . . . A 24 ILE QD1 . 25342 1 277 . 1 1 24 24 ILE HD12 H 1 -0.676 0.007 . 1 . . . A 24 ILE QD1 . 25342 1 278 . 1 1 24 24 ILE HD13 H 1 -0.676 0.007 . 1 . . . A 24 ILE QD1 . 25342 1 279 . 1 1 24 24 ILE C C 13 174.934 0.164 . 1 . . . A 24 ILE C . 25342 1 280 . 1 1 24 24 ILE CA C 13 63.292 0.164 . 1 . . . A 24 ILE CA . 25342 1 281 . 1 1 24 24 ILE CB C 13 34.738 0.164 . 1 . . . A 24 ILE CB . 25342 1 282 . 1 1 24 24 ILE CG1 C 13 27.460 0.164 . 1 . . . A 24 ILE CG1 . 25342 1 283 . 1 1 24 24 ILE CG2 C 13 14.720 0.164 . 1 . . . A 24 ILE CG2 . 25342 1 284 . 1 1 24 24 ILE CD1 C 13 8.735 0.164 . 1 . . . A 24 ILE CD1 . 25342 1 285 . 1 1 24 24 ILE N N 15 122.208 0.121 . 1 . . . A 24 ILE N . 25342 1 286 . 1 1 25 25 ASN H H 1 8.317 0.007 . 1 . . . A 25 ASN H . 25342 1 287 . 1 1 25 25 ASN HA H 1 4.227 0.007 . 1 . . . A 25 ASN HA . 25342 1 288 . 1 1 25 25 ASN HB2 H 1 2.652 0.007 . 2 . . . A 25 ASN HB2 . 25342 1 289 . 1 1 25 25 ASN HB3 H 1 2.892 0.007 . 2 . . . A 25 ASN HB3 . 25342 1 290 . 1 1 25 25 ASN HD21 H 1 6.085 0.007 . 2 . . . A 25 ASN HD21 . 25342 1 291 . 1 1 25 25 ASN HD22 H 1 7.695 0.007 . 2 . . . A 25 ASN HD22 . 25342 1 292 . 1 1 25 25 ASN C C 13 173.530 0.164 . 1 . . . A 25 ASN C . 25342 1 293 . 1 1 25 25 ASN CA C 13 52.211 0.164 . 1 . . . A 25 ASN CA . 25342 1 294 . 1 1 25 25 ASN CB C 13 38.104 0.164 . 1 . . . A 25 ASN CB . 25342 1 295 . 1 1 25 25 ASN N N 15 118.640 0.121 . 1 . . . A 25 ASN N . 25342 1 296 . 1 1 25 25 ASN ND2 N 15 112.409 0.121 . 1 . . . A 25 ASN ND2 . 25342 1 297 . 1 1 26 26 SER H H 1 7.369 0.007 . 1 . . . A 26 SER H . 25342 1 298 . 1 1 26 26 SER HA H 1 4.153 0.007 . 1 . . . A 26 SER HA . 25342 1 299 . 1 1 26 26 SER HB2 H 1 3.914 0.007 . 2 . . . A 26 SER HB2 . 25342 1 300 . 1 1 26 26 SER HB3 H 1 3.864 0.007 . 2 . . . A 26 SER HB3 . 25342 1 301 . 1 1 26 26 SER C C 13 172.110 0.164 . 1 . . . A 26 SER C . 25342 1 302 . 1 1 26 26 SER CA C 13 57.905 0.164 . 1 . . . A 26 SER CA . 25342 1 303 . 1 1 26 26 SER CB C 13 60.655 0.164 . 1 . . . A 26 SER CB . 25342 1 304 . 1 1 26 26 SER N N 15 111.990 0.121 . 1 . . . A 26 SER N . 25342 1 305 . 1 1 27 27 GLU H H 1 7.451 0.007 . 1 . . . A 27 GLU H . 25342 1 306 . 1 1 27 27 GLU HA H 1 4.101 0.007 . 1 . . . A 27 GLU HA . 25342 1 307 . 1 1 27 27 GLU HB2 H 1 2.134 0.007 . 2 . . . A 27 GLU HB2 . 25342 1 308 . 1 1 27 27 GLU HB3 H 1 1.883 0.007 . 2 . . . A 27 GLU HB3 . 25342 1 309 . 1 1 27 27 GLU HG2 H 1 2.518 0.007 . 2 . . . A 27 GLU HG2 . 25342 1 310 . 1 1 27 27 GLU HG3 H 1 2.250 0.007 . 2 . . . A 27 GLU HG3 . 25342 1 311 . 1 1 27 27 GLU C C 13 173.673 0.164 . 1 . . . A 27 GLU C . 25342 1 312 . 1 1 27 27 GLU CA C 13 54.235 0.164 . 1 . . . A 27 GLU CA . 25342 1 313 . 1 1 27 27 GLU CB C 13 26.601 0.164 . 1 . . . A 27 GLU CB . 25342 1 314 . 1 1 27 27 GLU CG C 13 30.229 0.164 . 1 . . . A 27 GLU CG . 25342 1 315 . 1 1 27 27 GLU N N 15 120.201 0.121 . 1 . . . A 27 GLU N . 25342 1 316 . 1 1 28 28 ILE H H 1 7.255 0.007 . 1 . . . A 28 ILE H . 25342 1 317 . 1 1 28 28 ILE HA H 1 4.199 0.007 . 1 . . . A 28 ILE HA . 25342 1 318 . 1 1 28 28 ILE HB H 1 1.558 0.007 . 1 . . . A 28 ILE HB . 25342 1 319 . 1 1 28 28 ILE HG12 H 1 1.567 0.007 . 1 . . . A 28 ILE QG1 . 25342 1 320 . 1 1 28 28 ILE HG13 H 1 1.567 0.007 . 1 . . . A 28 ILE QG1 . 25342 1 321 . 1 1 28 28 ILE HG21 H 1 0.890 0.007 . 1 . . . A 28 ILE QG2 . 25342 1 322 . 1 1 28 28 ILE HG22 H 1 0.890 0.007 . 1 . . . A 28 ILE QG2 . 25342 1 323 . 1 1 28 28 ILE HG23 H 1 0.890 0.007 . 1 . . . A 28 ILE QG2 . 25342 1 324 . 1 1 28 28 ILE HD11 H 1 0.687 0.007 . 1 . . . A 28 ILE QD1 . 25342 1 325 . 1 1 28 28 ILE HD12 H 1 0.687 0.007 . 1 . . . A 28 ILE QD1 . 25342 1 326 . 1 1 28 28 ILE HD13 H 1 0.687 0.007 . 1 . . . A 28 ILE QD1 . 25342 1 327 . 1 1 28 28 ILE C C 13 172.487 0.164 . 1 . . . A 28 ILE C . 25342 1 328 . 1 1 28 28 ILE CA C 13 57.732 0.164 . 1 . . . A 28 ILE CA . 25342 1 329 . 1 1 28 28 ILE CB C 13 35.738 0.164 . 1 . . . A 28 ILE CB . 25342 1 330 . 1 1 28 28 ILE CG1 C 13 23.215 0.164 . 1 . . . A 28 ILE CG1 . 25342 1 331 . 1 1 28 28 ILE CG2 C 13 15.487 0.164 . 1 . . . A 28 ILE CG2 . 25342 1 332 . 1 1 28 28 ILE CD1 C 13 12.715 0.164 . 1 . . . A 28 ILE CD1 . 25342 1 333 . 1 1 28 28 ILE N N 15 118.762 0.121 . 1 . . . A 28 ILE N . 25342 1 334 . 1 1 29 29 LYS H H 1 8.564 0.007 . 1 . . . A 29 LYS H . 25342 1 335 . 1 1 29 29 LYS HA H 1 4.002 0.007 . 1 . . . A 29 LYS HA . 25342 1 336 . 1 1 29 29 LYS HB2 H 1 1.665 0.007 . 2 . . . A 29 LYS HB2 . 25342 1 337 . 1 1 29 29 LYS HB3 H 1 1.735 0.007 . 2 . . . A 29 LYS HB3 . 25342 1 338 . 1 1 29 29 LYS HG2 H 1 1.390 0.007 . 2 . . . A 29 LYS HG2 . 25342 1 339 . 1 1 29 29 LYS HG3 H 1 1.361 0.007 . 2 . . . A 29 LYS HG3 . 25342 1 340 . 1 1 29 29 LYS HD2 H 1 1.588 0.007 . 1 . . . A 29 LYS QD . 25342 1 341 . 1 1 29 29 LYS HD3 H 1 1.588 0.007 . 1 . . . A 29 LYS QD . 25342 1 342 . 1 1 29 29 LYS HE2 H 1 2.918 0.007 . 1 . . . A 29 LYS QE . 25342 1 343 . 1 1 29 29 LYS HE3 H 1 2.918 0.007 . 1 . . . A 29 LYS QE . 25342 1 344 . 1 1 29 29 LYS C C 13 174.386 0.164 . 1 . . . A 29 LYS C . 25342 1 345 . 1 1 29 29 LYS CA C 13 55.535 0.164 . 1 . . . A 29 LYS CA . 25342 1 346 . 1 1 29 29 LYS CB C 13 29.586 0.164 . 1 . . . A 29 LYS CB . 25342 1 347 . 1 1 29 29 LYS CG C 13 21.815 0.164 . 1 . . . A 29 LYS CG . 25342 1 348 . 1 1 29 29 LYS CD C 13 26.264 0.164 . 1 . . . A 29 LYS CD . 25342 1 349 . 1 1 29 29 LYS CE C 13 39.489 0.164 . 1 . . . A 29 LYS CE . 25342 1 350 . 1 1 29 29 LYS N N 15 130.563 0.121 . 1 . . . A 29 LYS N . 25342 1 351 . 1 1 30 30 ASP H H 1 8.920 0.007 . 1 . . . A 30 ASP H . 25342 1 352 . 1 1 30 30 ASP HA H 1 4.402 0.007 . 1 . . . A 30 ASP HA . 25342 1 353 . 1 1 30 30 ASP HB2 H 1 2.959 0.007 . 1 . . . A 30 ASP QB . 25342 1 354 . 1 1 30 30 ASP HB3 H 1 2.959 0.007 . 1 . . . A 30 ASP QB . 25342 1 355 . 1 1 30 30 ASP C C 13 172.570 0.164 . 1 . . . A 30 ASP C . 25342 1 356 . 1 1 30 30 ASP CA C 13 53.436 0.164 . 1 . . . A 30 ASP CA . 25342 1 357 . 1 1 30 30 ASP CB C 13 36.744 0.164 . 1 . . . A 30 ASP CB . 25342 1 358 . 1 1 30 30 ASP N N 15 119.357 0.121 . 1 . . . A 30 ASP N . 25342 1 359 . 1 1 31 31 SER H H 1 8.006 0.007 . 1 . . . A 31 SER H . 25342 1 360 . 1 1 31 31 SER HA H 1 4.782 0.007 . 1 . . . A 31 SER HA . 25342 1 361 . 1 1 31 31 SER HB2 H 1 3.778 0.007 . 2 . . . A 31 SER HB2 . 25342 1 362 . 1 1 31 31 SER HB3 H 1 3.649 0.007 . 2 . . . A 31 SER HB3 . 25342 1 363 . 1 1 31 31 SER C C 13 171.150 0.164 . 1 . . . A 31 SER C . 25342 1 364 . 1 1 31 31 SER CA C 13 55.551 0.164 . 1 . . . A 31 SER CA . 25342 1 365 . 1 1 31 31 SER CB C 13 62.259 0.164 . 1 . . . A 31 SER CB . 25342 1 366 . 1 1 31 31 SER N N 15 114.019 0.121 . 1 . . . A 31 SER N . 25342 1 367 . 1 1 32 32 GLU H H 1 8.145 0.007 . 1 . . . A 32 GLU H . 25342 1 368 . 1 1 32 32 GLU HA H 1 4.740 0.007 . 1 . . . A 32 GLU HA . 25342 1 369 . 1 1 32 32 GLU HB2 H 1 1.918 0.007 . 2 . . . A 32 GLU HB2 . 25342 1 370 . 1 1 32 32 GLU HB3 H 1 1.961 0.007 . 2 . . . A 32 GLU HB3 . 25342 1 371 . 1 1 32 32 GLU HG2 H 1 2.343 0.007 . 2 . . . A 32 GLU HG2 . 25342 1 372 . 1 1 32 32 GLU HG3 H 1 2.209 0.007 . 2 . . . A 32 GLU HG3 . 25342 1 373 . 1 1 32 32 GLU C C 13 171.185 0.164 . 1 . . . A 32 GLU C . 25342 1 374 . 1 1 32 32 GLU CA C 13 52.081 0.164 . 1 . . . A 32 GLU CA . 25342 1 375 . 1 1 32 32 GLU CB C 13 30.827 0.164 . 1 . . . A 32 GLU CB . 25342 1 376 . 1 1 32 32 GLU CG C 13 34.025 0.164 . 1 . . . A 32 GLU CG . 25342 1 377 . 1 1 32 32 GLU N N 15 121.455 0.121 . 1 . . . A 32 GLU N . 25342 1 378 . 1 1 33 33 LEU H H 1 8.589 0.007 . 1 . . . A 33 LEU H . 25342 1 379 . 1 1 33 33 LEU HA H 1 5.306 0.007 . 1 . . . A 33 LEU HA . 25342 1 380 . 1 1 33 33 LEU HB2 H 1 1.759 0.007 . 2 . . . A 33 LEU HB2 . 25342 1 381 . 1 1 33 33 LEU HB3 H 1 0.976 0.007 . 2 . . . A 33 LEU HB3 . 25342 1 382 . 1 1 33 33 LEU HG H 1 1.440 0.007 . 1 . . . A 33 LEU HG . 25342 1 383 . 1 1 33 33 LEU HD11 H 1 0.791 0.007 . 2 . . . A 33 LEU QD1 . 25342 1 384 . 1 1 33 33 LEU HD12 H 1 0.791 0.007 . 2 . . . A 33 LEU QD1 . 25342 1 385 . 1 1 33 33 LEU HD13 H 1 0.791 0.007 . 2 . . . A 33 LEU QD1 . 25342 1 386 . 1 1 33 33 LEU HD21 H 1 0.844 0.007 . 2 . . . A 33 LEU QD2 . 25342 1 387 . 1 1 33 33 LEU HD22 H 1 0.844 0.007 . 2 . . . A 33 LEU QD2 . 25342 1 388 . 1 1 33 33 LEU HD23 H 1 0.844 0.007 . 2 . . . A 33 LEU QD2 . 25342 1 389 . 1 1 33 33 LEU C C 13 173.365 0.164 . 1 . . . A 33 LEU C . 25342 1 390 . 1 1 33 33 LEU CA C 13 51.440 0.164 . 1 . . . A 33 LEU CA . 25342 1 391 . 1 1 33 33 LEU CB C 13 43.635 0.164 . 1 . . . A 33 LEU CB . 25342 1 392 . 1 1 33 33 LEU CG C 13 24.805 0.164 . 1 . . . A 33 LEU CG . 25342 1 393 . 1 1 33 33 LEU CD1 C 13 24.234 0.164 . 2 . . . A 33 LEU CD1 . 25342 1 394 . 1 1 33 33 LEU CD2 C 13 23.429 0.164 . 2 . . . A 33 LEU CD2 . 25342 1 395 . 1 1 33 33 LEU N N 15 126.176 0.121 . 1 . . . A 33 LEU N . 25342 1 396 . 1 1 34 34 LYS H H 1 9.380 0.007 . 1 . . . A 34 LYS H . 25342 1 397 . 1 1 34 34 LYS HA H 1 4.596 0.007 . 1 . . . A 34 LYS HA . 25342 1 398 . 1 1 34 34 LYS HB2 H 1 1.678 0.007 . 2 . . . A 34 LYS HB2 . 25342 1 399 . 1 1 34 34 LYS HB3 H 1 1.563 0.007 . 2 . . . A 34 LYS HB3 . 25342 1 400 . 1 1 34 34 LYS HG2 H 1 1.269 0.007 . 2 . . . A 34 LYS HG2 . 25342 1 401 . 1 1 34 34 LYS HG3 H 1 1.136 0.007 . 2 . . . A 34 LYS HG3 . 25342 1 402 . 1 1 34 34 LYS HD2 H 1 1.479 0.007 . 1 . . . A 34 LYS QD . 25342 1 403 . 1 1 34 34 LYS HD3 H 1 1.479 0.007 . 1 . . . A 34 LYS QD . 25342 1 404 . 1 1 34 34 LYS HE2 H 1 2.798 0.007 . 2 . . . A 34 LYS HE2 . 25342 1 405 . 1 1 34 34 LYS HE3 H 1 2.731 0.007 . 2 . . . A 34 LYS HE3 . 25342 1 406 . 1 1 34 34 LYS C C 13 169.622 0.164 . 1 . . . A 34 LYS C . 25342 1 407 . 1 1 34 34 LYS CA C 13 52.329 0.164 . 1 . . . A 34 LYS CA . 25342 1 408 . 1 1 34 34 LYS CB C 13 34.200 0.164 . 1 . . . A 34 LYS CB . 25342 1 409 . 1 1 34 34 LYS CG C 13 22.839 0.164 . 1 . . . A 34 LYS CG . 25342 1 410 . 1 1 34 34 LYS CD C 13 26.587 0.164 . 1 . . . A 34 LYS CD . 25342 1 411 . 1 1 34 34 LYS CE C 13 39.458 0.164 . 1 . . . A 34 LYS CE . 25342 1 412 . 1 1 34 34 LYS N N 15 127.200 0.121 . 1 . . . A 34 LYS N . 25342 1 413 . 1 1 35 35 GLU H H 1 8.094 0.007 . 1 . . . A 35 GLU H . 25342 1 414 . 1 1 35 35 GLU HA H 1 3.333 0.007 . 1 . . . A 35 GLU HA . 25342 1 415 . 1 1 35 35 GLU HB2 H 1 1.656 0.007 . 1 . . . A 35 GLU QB . 25342 1 416 . 1 1 35 35 GLU HB3 H 1 1.656 0.007 . 1 . . . A 35 GLU QB . 25342 1 417 . 1 1 35 35 GLU HG2 H 1 1.675 0.007 . 1 . . . A 35 GLU QG . 25342 1 418 . 1 1 35 35 GLU HG3 H 1 1.675 0.007 . 1 . . . A 35 GLU QG . 25342 1 419 . 1 1 35 35 GLU C C 13 172.734 0.164 . 1 . . . A 35 GLU C . 25342 1 420 . 1 1 35 35 GLU CA C 13 52.612 0.164 . 1 . . . A 35 GLU CA . 25342 1 421 . 1 1 35 35 GLU CB C 13 29.319 0.164 . 1 . . . A 35 GLU CB . 25342 1 422 . 1 1 35 35 GLU CG C 13 33.933 0.164 . 1 . . . A 35 GLU CG . 25342 1 423 . 1 1 35 35 GLU N N 15 122.324 0.121 . 1 . . . A 35 GLU N . 25342 1 424 . 1 1 36 36 VAL H H 1 8.660 0.007 . 1 . . . A 36 VAL H . 25342 1 425 . 1 1 36 36 VAL HA H 1 3.839 0.007 . 1 . . . A 36 VAL HA . 25342 1 426 . 1 1 36 36 VAL HB H 1 1.961 0.007 . 1 . . . A 36 VAL HB . 25342 1 427 . 1 1 36 36 VAL HG11 H 1 0.755 0.007 . 2 . . . A 36 VAL QG1 . 25342 1 428 . 1 1 36 36 VAL HG12 H 1 0.755 0.007 . 2 . . . A 36 VAL QG1 . 25342 1 429 . 1 1 36 36 VAL HG13 H 1 0.755 0.007 . 2 . . . A 36 VAL QG1 . 25342 1 430 . 1 1 36 36 VAL HG21 H 1 0.778 0.007 . 2 . . . A 36 VAL QG2 . 25342 1 431 . 1 1 36 36 VAL HG22 H 1 0.778 0.007 . 2 . . . A 36 VAL QG2 . 25342 1 432 . 1 1 36 36 VAL HG23 H 1 0.778 0.007 . 2 . . . A 36 VAL QG2 . 25342 1 433 . 1 1 36 36 VAL C C 13 171.482 0.164 . 1 . . . A 36 VAL C . 25342 1 434 . 1 1 36 36 VAL CA C 13 59.405 0.164 . 1 . . . A 36 VAL CA . 25342 1 435 . 1 1 36 36 VAL CB C 13 29.348 0.164 . 1 . . . A 36 VAL CB . 25342 1 436 . 1 1 36 36 VAL CG1 C 13 19.706 0.164 . 2 . . . A 36 VAL CG1 . 25342 1 437 . 1 1 36 36 VAL CG2 C 13 23.667 0.164 . 2 . . . A 36 VAL CG2 . 25342 1 438 . 1 1 36 36 VAL N N 15 126.781 0.121 . 1 . . . A 36 VAL N . 25342 1 439 . 1 1 37 37 LYS H H 1 7.809 0.007 . 1 . . . A 37 LYS H . 25342 1 440 . 1 1 37 37 LYS HA H 1 4.965 0.007 . 1 . . . A 37 LYS HA . 25342 1 441 . 1 1 37 37 LYS HB2 H 1 1.708 0.007 . 2 . . . A 37 LYS HB2 . 25342 1 442 . 1 1 37 37 LYS HB3 H 1 1.905 0.007 . 2 . . . A 37 LYS HB3 . 25342 1 443 . 1 1 37 37 LYS HG2 H 1 1.314 0.007 . 1 . . . A 37 LYS QG . 25342 1 444 . 1 1 37 37 LYS HG3 H 1 1.314 0.007 . 1 . . . A 37 LYS QG . 25342 1 445 . 1 1 37 37 LYS HD2 H 1 1.603 0.007 . 1 . . . A 37 LYS QD . 25342 1 446 . 1 1 37 37 LYS HD3 H 1 1.603 0.007 . 1 . . . A 37 LYS QD . 25342 1 447 . 1 1 37 37 LYS HE2 H 1 2.917 0.007 . 1 . . . A 37 LYS QE . 25342 1 448 . 1 1 37 37 LYS HE3 H 1 2.917 0.007 . 1 . . . A 37 LYS QE . 25342 1 449 . 1 1 37 37 LYS C C 13 173.187 0.164 . 1 . . . A 37 LYS C . 25342 1 450 . 1 1 37 37 LYS CA C 13 52.280 0.164 . 1 . . . A 37 LYS CA . 25342 1 451 . 1 1 37 37 LYS CB C 13 32.921 0.164 . 1 . . . A 37 LYS CB . 25342 1 452 . 1 1 37 37 LYS CG C 13 22.968 0.164 . 1 . . . A 37 LYS CG . 25342 1 453 . 1 1 37 37 LYS CD C 13 26.413 0.164 . 1 . . . A 37 LYS CD . 25342 1 454 . 1 1 37 37 LYS CE C 13 39.571 0.164 . 1 . . . A 37 LYS CE . 25342 1 455 . 1 1 37 37 LYS N N 15 126.065 0.121 . 1 . . . A 37 LYS N . 25342 1 456 . 1 1 38 38 VAL H H 1 8.305 0.007 . 1 . . . A 38 VAL H . 25342 1 457 . 1 1 38 38 VAL HA H 1 4.824 0.007 . 1 . . . A 38 VAL HA . 25342 1 458 . 1 1 38 38 VAL HB H 1 2.377 0.007 . 1 . . . A 38 VAL HB . 25342 1 459 . 1 1 38 38 VAL HG11 H 1 0.968 0.007 . 2 . . . A 38 VAL QG1 . 25342 1 460 . 1 1 38 38 VAL HG12 H 1 0.968 0.007 . 2 . . . A 38 VAL QG1 . 25342 1 461 . 1 1 38 38 VAL HG13 H 1 0.968 0.007 . 2 . . . A 38 VAL QG1 . 25342 1 462 . 1 1 38 38 VAL HG21 H 1 1.105 0.007 . 2 . . . A 38 VAL QG2 . 25342 1 463 . 1 1 38 38 VAL HG22 H 1 1.105 0.007 . 2 . . . A 38 VAL QG2 . 25342 1 464 . 1 1 38 38 VAL HG23 H 1 1.105 0.007 . 2 . . . A 38 VAL QG2 . 25342 1 465 . 1 1 38 38 VAL C C 13 173.604 0.164 . 1 . . . A 38 VAL C . 25342 1 466 . 1 1 38 38 VAL CA C 13 56.383 0.164 . 1 . . . A 38 VAL CA . 25342 1 467 . 1 1 38 38 VAL CB C 13 32.376 0.164 . 1 . . . A 38 VAL CB . 25342 1 468 . 1 1 38 38 VAL CG1 C 13 19.919 0.164 . 2 . . . A 38 VAL CG1 . 25342 1 469 . 1 1 38 38 VAL CG2 C 13 17.116 0.164 . 2 . . . A 38 VAL CG2 . 25342 1 470 . 1 1 38 38 VAL N N 15 111.020 0.121 . 1 . . . A 38 VAL N . 25342 1 471 . 1 1 39 39 SER H H 1 8.847 0.007 . 1 . . . A 39 SER H . 25342 1 472 . 1 1 39 39 SER HA H 1 4.183 0.007 . 1 . . . A 39 SER HA . 25342 1 473 . 1 1 39 39 SER HB2 H 1 3.748 0.007 . 2 . . . A 39 SER HB2 . 25342 1 474 . 1 1 39 39 SER HB3 H 1 3.700 0.007 . 2 . . . A 39 SER HB3 . 25342 1 475 . 1 1 39 39 SER C C 13 173.538 0.164 . 1 . . . A 39 SER C . 25342 1 476 . 1 1 39 39 SER CA C 13 56.279 0.164 . 1 . . . A 39 SER CA . 25342 1 477 . 1 1 39 39 SER CB C 13 60.537 0.164 . 1 . . . A 39 SER CB . 25342 1 478 . 1 1 39 39 SER N N 15 117.887 0.121 . 1 . . . A 39 SER N . 25342 1 479 . 1 1 40 40 GLU H H 1 9.049 0.007 . 1 . . . A 40 GLU H . 25342 1 480 . 1 1 40 40 GLU HA H 1 4.154 0.007 . 1 . . . A 40 GLU HA . 25342 1 481 . 1 1 40 40 GLU HB2 H 1 1.986 0.007 . 1 . . . A 40 GLU QB . 25342 1 482 . 1 1 40 40 GLU HB3 H 1 1.986 0.007 . 1 . . . A 40 GLU QB . 25342 1 483 . 1 1 40 40 GLU HG2 H 1 2.322 0.007 . 1 . . . A 40 GLU QG . 25342 1 484 . 1 1 40 40 GLU HG3 H 1 2.322 0.007 . 1 . . . A 40 GLU QG . 25342 1 485 . 1 1 40 40 GLU C C 13 174.586 0.164 . 1 . . . A 40 GLU C . 25342 1 486 . 1 1 40 40 GLU CA C 13 55.812 0.164 . 1 . . . A 40 GLU CA . 25342 1 487 . 1 1 40 40 GLU CB C 13 26.720 0.164 . 1 . . . A 40 GLU CB . 25342 1 488 . 1 1 40 40 GLU CG C 13 33.428 0.164 . 1 . . . A 40 GLU CG . 25342 1 489 . 1 1 40 40 GLU N N 15 126.316 0.121 . 1 . . . A 40 GLU N . 25342 1 490 . 1 1 41 41 GLY H H 1 8.780 0.007 . 1 . . . A 41 GLY H . 25342 1 491 . 1 1 41 41 GLY HA2 H 1 4.126 0.007 . 2 . . . A 41 GLY HA2 . 25342 1 492 . 1 1 41 41 GLY HA3 H 1 3.804 0.007 . 2 . . . A 41 GLY HA3 . 25342 1 493 . 1 1 41 41 GLY C C 13 171.994 0.164 . 1 . . . A 41 GLY C . 25342 1 494 . 1 1 41 41 GLY CA C 13 42.462 0.164 . 1 . . . A 41 GLY CA . 25342 1 495 . 1 1 41 41 GLY N N 15 112.494 0.121 . 1 . . . A 41 GLY N . 25342 1 496 . 1 1 42 42 THR H H 1 7.737 0.007 . 1 . . . A 42 THR H . 25342 1 497 . 1 1 42 42 THR HA H 1 3.582 0.007 . 1 . . . A 42 THR HA . 25342 1 498 . 1 1 42 42 THR HB H 1 3.677 0.007 . 1 . . . A 42 THR HB . 25342 1 499 . 1 1 42 42 THR HG21 H 1 0.142 0.007 . 1 . . . A 42 THR QG2 . 25342 1 500 . 1 1 42 42 THR HG22 H 1 0.142 0.007 . 1 . . . A 42 THR QG2 . 25342 1 501 . 1 1 42 42 THR HG23 H 1 0.142 0.007 . 1 . . . A 42 THR QG2 . 25342 1 502 . 1 1 42 42 THR C C 13 171.225 0.164 . 1 . . . A 42 THR C . 25342 1 503 . 1 1 42 42 THR CA C 13 64.104 0.164 . 1 . . . A 42 THR CA . 25342 1 504 . 1 1 42 42 THR CB C 13 65.914 0.164 . 1 . . . A 42 THR CB . 25342 1 505 . 1 1 42 42 THR CG2 C 13 17.565 0.164 . 1 . . . A 42 THR CG2 . 25342 1 506 . 1 1 42 42 THR N N 15 118.631 0.121 . 1 . . . A 42 THR N . 25342 1 507 . 1 1 43 43 PHE H H 1 8.114 0.007 . 1 . . . A 43 PHE H . 25342 1 508 . 1 1 43 43 PHE HA H 1 5.020 0.007 . 1 . . . A 43 PHE HA . 25342 1 509 . 1 1 43 43 PHE HB2 H 1 3.078 0.007 . 2 . . . A 43 PHE HB2 . 25342 1 510 . 1 1 43 43 PHE HB3 H 1 3.805 0.007 . 2 . . . A 43 PHE HB3 . 25342 1 511 . 1 1 43 43 PHE HD1 H 1 7.404 0.007 . 1 . . . A 43 PHE QD . 25342 1 512 . 1 1 43 43 PHE HD2 H 1 7.404 0.007 . 1 . . . A 43 PHE QD . 25342 1 513 . 1 1 43 43 PHE C C 13 170.141 0.164 . 1 . . . A 43 PHE C . 25342 1 514 . 1 1 43 43 PHE CA C 13 52.472 0.164 . 1 . . . A 43 PHE CA . 25342 1 515 . 1 1 43 43 PHE CB C 13 37.385 0.164 . 1 . . . A 43 PHE CB . 25342 1 516 . 1 1 43 43 PHE CD2 C 13 128.193 0.164 . 3 . . . A 43 PHE CD2 . 25342 1 517 . 1 1 43 43 PHE N N 15 116.279 0.121 . 1 . . . A 43 PHE N . 25342 1 518 . 1 1 44 44 ASP H H 1 7.774 0.007 . 1 . . . A 44 ASP H . 25342 1 519 . 1 1 44 44 ASP HA H 1 4.851 0.007 . 1 . . . A 44 ASP HA . 25342 1 520 . 1 1 44 44 ASP HB2 H 1 2.360 0.007 . 2 . . . A 44 ASP HB2 . 25342 1 521 . 1 1 44 44 ASP HB3 H 1 2.720 0.007 . 2 . . . A 44 ASP HB3 . 25342 1 522 . 1 1 44 44 ASP CA C 13 50.212 0.164 . 1 . . . A 44 ASP CA . 25342 1 523 . 1 1 44 44 ASP CB C 13 44.385 0.164 . 1 . . . A 44 ASP CB . 25342 1 524 . 1 1 44 44 ASP N N 15 121.513 0.121 . 1 . . . A 44 ASP N . 25342 1 525 . 1 1 45 45 ALA H H 1 8.324 0.007 . 1 . . . A 45 ALA H . 25342 1 526 . 1 1 45 45 ALA HA H 1 4.211 0.007 . 1 . . . A 45 ALA HA . 25342 1 527 . 1 1 45 45 ALA HB1 H 1 1.373 0.007 . 1 . . . A 45 ALA QB . 25342 1 528 . 1 1 45 45 ALA HB2 H 1 1.373 0.007 . 1 . . . A 45 ALA QB . 25342 1 529 . 1 1 45 45 ALA HB3 H 1 1.373 0.007 . 1 . . . A 45 ALA QB . 25342 1 530 . 1 1 45 45 ALA C C 13 175.139 0.164 . 1 . . . A 45 ALA C . 25342 1 531 . 1 1 45 45 ALA CA C 13 51.436 0.164 . 1 . . . A 45 ALA CA . 25342 1 532 . 1 1 45 45 ALA CB C 13 16.232 0.164 . 1 . . . A 45 ALA CB . 25342 1 533 . 1 1 45 45 ALA N N 15 125.663 0.121 . 1 . . . A 45 ALA N . 25342 1 534 . 1 1 46 46 ASP H H 1 9.618 0.007 . 1 . . . A 46 ASP H . 25342 1 535 . 1 1 46 46 ASP HA H 1 4.825 0.007 . 1 . . . A 46 ASP HA . 25342 1 536 . 1 1 46 46 ASP HB2 H 1 2.633 0.007 . 2 . . . A 46 ASP HB2 . 25342 1 537 . 1 1 46 46 ASP HB3 H 1 2.945 0.007 . 2 . . . A 46 ASP HB3 . 25342 1 538 . 1 1 46 46 ASP C C 13 175.013 0.164 . 1 . . . A 46 ASP C . 25342 1 539 . 1 1 46 46 ASP CA C 13 51.161 0.164 . 1 . . . A 46 ASP CA . 25342 1 540 . 1 1 46 46 ASP CB C 13 41.233 0.164 . 1 . . . A 46 ASP CB . 25342 1 541 . 1 1 46 46 ASP N N 15 119.288 0.121 . 1 . . . A 46 ASP N . 25342 1 542 . 1 1 47 47 MET H H 1 9.178 0.007 . 1 . . . A 47 MET H . 25342 1 543 . 1 1 47 47 MET HA H 1 3.456 0.007 . 1 . . . A 47 MET HA . 25342 1 544 . 1 1 47 47 MET HB2 H 1 1.658 0.007 . 2 . . . A 47 MET HB2 . 25342 1 545 . 1 1 47 47 MET HB3 H 1 1.736 0.007 . 2 . . . A 47 MET HB3 . 25342 1 546 . 1 1 47 47 MET HG2 H 1 1.368 0.007 . 2 . . . A 47 MET HG2 . 25342 1 547 . 1 1 47 47 MET HG3 H 1 1.551 0.007 . 2 . . . A 47 MET HG3 . 25342 1 548 . 1 1 47 47 MET HE1 H 1 1.277 0.007 . 1 . . . A 47 MET QE . 25342 1 549 . 1 1 47 47 MET HE2 H 1 1.277 0.007 . 1 . . . A 47 MET QE . 25342 1 550 . 1 1 47 47 MET HE3 H 1 1.277 0.007 . 1 . . . A 47 MET QE . 25342 1 551 . 1 1 47 47 MET C C 13 173.605 0.164 . 1 . . . A 47 MET C . 25342 1 552 . 1 1 47 47 MET CA C 13 56.699 0.164 . 1 . . . A 47 MET CA . 25342 1 553 . 1 1 47 47 MET CB C 13 29.930 0.164 . 1 . . . A 47 MET CB . 25342 1 554 . 1 1 47 47 MET CG C 13 27.627 0.164 . 1 . . . A 47 MET CG . 25342 1 555 . 1 1 47 47 MET CE C 13 13.715 0.164 . 1 . . . A 47 MET CE . 25342 1 556 . 1 1 47 47 MET N N 15 127.347 0.121 . 1 . . . A 47 MET N . 25342 1 557 . 1 1 48 48 TYR H H 1 7.881 0.007 . 1 . . . A 48 TYR H . 25342 1 558 . 1 1 48 48 TYR HA H 1 3.872 0.007 . 1 . . . A 48 TYR HA . 25342 1 559 . 1 1 48 48 TYR HB2 H 1 3.033 0.007 . 2 . . . A 48 TYR HB2 . 25342 1 560 . 1 1 48 48 TYR HB3 H 1 2.977 0.007 . 2 . . . A 48 TYR HB3 . 25342 1 561 . 1 1 48 48 TYR HD1 H 1 7.115 0.007 . 1 . . . A 48 TYR QD . 25342 1 562 . 1 1 48 48 TYR HD2 H 1 7.115 0.007 . 1 . . . A 48 TYR QD . 25342 1 563 . 1 1 48 48 TYR HE1 H 1 6.601 0.007 . 1 . . . A 48 TYR QE . 25342 1 564 . 1 1 48 48 TYR HE2 H 1 6.601 0.007 . 1 . . . A 48 TYR QE . 25342 1 565 . 1 1 48 48 TYR CA C 13 58.712 0.164 . 1 . . . A 48 TYR CA . 25342 1 566 . 1 1 48 48 TYR CB C 13 33.638 0.164 . 1 . . . A 48 TYR CB . 25342 1 567 . 1 1 48 48 TYR CD1 C 13 128.173 0.164 . 3 . . . A 48 TYR CD1 . 25342 1 568 . 1 1 48 48 TYR CE1 C 13 113.481 0.164 . 3 . . . A 48 TYR CE1 . 25342 1 569 . 1 1 48 48 TYR N N 15 121.040 0.121 . 1 . . . A 48 TYR N . 25342 1 570 . 1 1 49 49 LYS H H 1 8.365 0.007 . 1 . . . A 49 LYS H . 25342 1 571 . 1 1 49 49 LYS HA H 1 4.105 0.007 . 1 . . . A 49 LYS HA . 25342 1 572 . 1 1 49 49 LYS HB2 H 1 1.771 0.007 . 2 . . . A 49 LYS HB2 . 25342 1 573 . 1 1 49 49 LYS HB3 H 1 1.897 0.007 . 2 . . . A 49 LYS HB3 . 25342 1 574 . 1 1 49 49 LYS HG2 H 1 1.409 0.007 . 2 . . . A 49 LYS HG2 . 25342 1 575 . 1 1 49 49 LYS HG3 H 1 1.566 0.007 . 2 . . . A 49 LYS HG3 . 25342 1 576 . 1 1 49 49 LYS HD2 H 1 1.680 0.007 . 1 . . . A 49 LYS QD . 25342 1 577 . 1 1 49 49 LYS HD3 H 1 1.680 0.007 . 1 . . . A 49 LYS QD . 25342 1 578 . 1 1 49 49 LYS HE2 H 1 2.927 0.007 . 1 . . . A 49 LYS QE . 25342 1 579 . 1 1 49 49 LYS HE3 H 1 2.927 0.007 . 1 . . . A 49 LYS QE . 25342 1 580 . 1 1 49 49 LYS CA C 13 56.385 0.164 . 1 . . . A 49 LYS CA . 25342 1 581 . 1 1 49 49 LYS CB C 13 29.164 0.164 . 1 . . . A 49 LYS CB . 25342 1 582 . 1 1 49 49 LYS CG C 13 22.961 0.164 . 1 . . . A 49 LYS CG . 25342 1 583 . 1 1 49 49 LYS CD C 13 29.167 0.164 . 1 . . . A 49 LYS CD . 25342 1 584 . 1 1 49 49 LYS CE C 13 39.439 0.164 . 1 . . . A 49 LYS CE . 25342 1 585 . 1 1 49 49 LYS N N 15 121.754 0.121 . 1 . . . A 49 LYS N . 25342 1 586 . 1 1 50 50 THR H H 1 8.007 0.007 . 1 . . . A 50 THR H . 25342 1 587 . 1 1 50 50 THR HA H 1 3.586 0.007 . 1 . . . A 50 THR HA . 25342 1 588 . 1 1 50 50 THR HB H 1 3.721 0.007 . 1 . . . A 50 THR HB . 25342 1 589 . 1 1 50 50 THR HG21 H 1 -0.240 0.007 . 1 . . . A 50 THR QG2 . 25342 1 590 . 1 1 50 50 THR HG22 H 1 -0.240 0.007 . 1 . . . A 50 THR QG2 . 25342 1 591 . 1 1 50 50 THR HG23 H 1 -0.240 0.007 . 1 . . . A 50 THR QG2 . 25342 1 592 . 1 1 50 50 THR CA C 13 65.634 0.164 . 1 . . . A 50 THR CA . 25342 1 593 . 1 1 50 50 THR CB C 13 65.904 0.164 . 1 . . . A 50 THR CB . 25342 1 594 . 1 1 50 50 THR CG2 C 13 18.511 0.164 . 1 . . . A 50 THR CG2 . 25342 1 595 . 1 1 50 50 THR N N 15 117.557 0.121 . 1 . . . A 50 THR N . 25342 1 596 . 1 1 51 51 SER H H 1 7.606 0.007 . 1 . . . A 51 SER H . 25342 1 597 . 1 1 51 51 SER HA H 1 3.974 0.007 . 1 . . . A 51 SER HA . 25342 1 598 . 1 1 51 51 SER HB2 H 1 3.649 0.007 . 1 . . . A 51 SER QB . 25342 1 599 . 1 1 51 51 SER HB3 H 1 3.649 0.007 . 1 . . . A 51 SER QB . 25342 1 600 . 1 1 51 51 SER CA C 13 59.042 0.164 . 1 . . . A 51 SER CA . 25342 1 601 . 1 1 51 51 SER CB C 13 59.835 0.164 . 1 . . . A 51 SER CB . 25342 1 602 . 1 1 51 51 SER N N 15 115.110 0.121 . 1 . . . A 51 SER N . 25342 1 603 . 1 1 52 52 ASP H H 1 7.552 0.007 . 1 . . . A 52 ASP H . 25342 1 604 . 1 1 52 52 ASP HA H 1 4.308 0.007 . 1 . . . A 52 ASP HA . 25342 1 605 . 1 1 52 52 ASP HB2 H 1 2.730 0.007 . 2 . . . A 52 ASP HB2 . 25342 1 606 . 1 1 52 52 ASP HB3 H 1 2.651 0.007 . 2 . . . A 52 ASP HB3 . 25342 1 607 . 1 1 52 52 ASP CA C 13 54.526 0.164 . 1 . . . A 52 ASP CA . 25342 1 608 . 1 1 52 52 ASP CB C 13 37.688 0.164 . 1 . . . A 52 ASP CB . 25342 1 609 . 1 1 52 52 ASP N N 15 119.713 0.121 . 1 . . . A 52 ASP N . 25342 1 610 . 1 1 53 53 ILE H H 1 7.815 0.007 . 1 . . . A 53 ILE H . 25342 1 611 . 1 1 53 53 ILE HA H 1 3.722 0.007 . 1 . . . A 53 ILE HA . 25342 1 612 . 1 1 53 53 ILE HB H 1 1.991 0.007 . 1 . . . A 53 ILE HB . 25342 1 613 . 1 1 53 53 ILE HG12 H 1 0.978 0.007 . 2 . . . A 53 ILE HG12 . 25342 1 614 . 1 1 53 53 ILE HG13 H 1 1.879 0.007 . 2 . . . A 53 ILE HG13 . 25342 1 615 . 1 1 53 53 ILE HG21 H 1 0.999 0.007 . 1 . . . A 53 ILE QG2 . 25342 1 616 . 1 1 53 53 ILE HG22 H 1 0.999 0.007 . 1 . . . A 53 ILE QG2 . 25342 1 617 . 1 1 53 53 ILE HG23 H 1 0.999 0.007 . 1 . . . A 53 ILE QG2 . 25342 1 618 . 1 1 53 53 ILE HD11 H 1 0.978 0.007 . 1 . . . A 53 ILE QD1 . 25342 1 619 . 1 1 53 53 ILE HD12 H 1 0.978 0.007 . 1 . . . A 53 ILE QD1 . 25342 1 620 . 1 1 53 53 ILE HD13 H 1 0.978 0.007 . 1 . . . A 53 ILE QD1 . 25342 1 621 . 1 1 53 53 ILE C C 13 175.325 0.164 . 1 . . . A 53 ILE C . 25342 1 622 . 1 1 53 53 ILE CA C 13 62.544 0.164 . 1 . . . A 53 ILE CA . 25342 1 623 . 1 1 53 53 ILE CB C 13 36.699 0.164 . 1 . . . A 53 ILE CB . 25342 1 624 . 1 1 53 53 ILE CG1 C 13 26.891 0.164 . 1 . . . A 53 ILE CG1 . 25342 1 625 . 1 1 53 53 ILE CG2 C 13 14.958 0.164 . 1 . . . A 53 ILE CG2 . 25342 1 626 . 1 1 53 53 ILE CD1 C 13 12.113 0.164 . 1 . . . A 53 ILE CD1 . 25342 1 627 . 1 1 53 53 ILE N N 15 121.982 0.121 . 1 . . . A 53 ILE N . 25342 1 628 . 1 1 54 54 ALA H H 1 8.332 0.007 . 1 . . . A 54 ALA H . 25342 1 629 . 1 1 54 54 ALA HA H 1 4.317 0.007 . 1 . . . A 54 ALA HA . 25342 1 630 . 1 1 54 54 ALA HB1 H 1 1.539 0.007 . 1 . . . A 54 ALA QB . 25342 1 631 . 1 1 54 54 ALA HB2 H 1 1.539 0.007 . 1 . . . A 54 ALA QB . 25342 1 632 . 1 1 54 54 ALA HB3 H 1 1.539 0.007 . 1 . . . A 54 ALA QB . 25342 1 633 . 1 1 54 54 ALA C C 13 177.475 0.164 . 1 . . . A 54 ALA C . 25342 1 634 . 1 1 54 54 ALA CA C 13 52.022 0.164 . 1 . . . A 54 ALA CA . 25342 1 635 . 1 1 54 54 ALA CB C 13 15.984 0.164 . 1 . . . A 54 ALA CB . 25342 1 636 . 1 1 54 54 ALA N N 15 121.552 0.121 . 1 . . . A 54 ALA N . 25342 1 637 . 1 1 55 55 LEU H H 1 8.195 0.007 . 1 . . . A 55 LEU H . 25342 1 638 . 1 1 55 55 LEU HA H 1 3.934 0.007 . 1 . . . A 55 LEU HA . 25342 1 639 . 1 1 55 55 LEU HB2 H 1 1.755 0.007 . 2 . . . A 55 LEU HB2 . 25342 1 640 . 1 1 55 55 LEU HB3 H 1 1.547 0.007 . 2 . . . A 55 LEU HB3 . 25342 1 641 . 1 1 55 55 LEU HG H 1 1.665 0.007 . 1 . . . A 55 LEU HG . 25342 1 642 . 1 1 55 55 LEU HD11 H 1 0.875 0.007 . 2 . . . A 55 LEU QD1 . 25342 1 643 . 1 1 55 55 LEU HD12 H 1 0.875 0.007 . 2 . . . A 55 LEU QD1 . 25342 1 644 . 1 1 55 55 LEU HD13 H 1 0.875 0.007 . 2 . . . A 55 LEU QD1 . 25342 1 645 . 1 1 55 55 LEU HD21 H 1 0.830 0.007 . 2 . . . A 55 LEU QD2 . 25342 1 646 . 1 1 55 55 LEU HD22 H 1 0.830 0.007 . 2 . . . A 55 LEU QD2 . 25342 1 647 . 1 1 55 55 LEU HD23 H 1 0.830 0.007 . 2 . . . A 55 LEU QD2 . 25342 1 648 . 1 1 55 55 LEU C C 13 176.532 0.164 . 1 . . . A 55 LEU C . 25342 1 649 . 1 1 55 55 LEU CA C 13 55.331 0.164 . 1 . . . A 55 LEU CA . 25342 1 650 . 1 1 55 55 LEU CB C 13 38.428 0.164 . 1 . . . A 55 LEU CB . 25342 1 651 . 1 1 55 55 LEU CG C 13 24.790 0.164 . 1 . . . A 55 LEU CG . 25342 1 652 . 1 1 55 55 LEU CD1 C 13 21.753 0.164 . 2 . . . A 55 LEU CD1 . 25342 1 653 . 1 1 55 55 LEU CD2 C 13 20.924 0.164 . 2 . . . A 55 LEU CD2 . 25342 1 654 . 1 1 55 55 LEU N N 15 117.176 0.121 . 1 . . . A 55 LEU N . 25342 1 655 . 1 1 56 56 ASP H H 1 7.806 0.007 . 1 . . . A 56 ASP H . 25342 1 656 . 1 1 56 56 ASP HA H 1 4.467 0.007 . 1 . . . A 56 ASP HA . 25342 1 657 . 1 1 56 56 ASP HB2 H 1 2.942 0.007 . 2 . . . A 56 ASP HB2 . 25342 1 658 . 1 1 56 56 ASP HB3 H 1 2.238 0.007 . 2 . . . A 56 ASP HB3 . 25342 1 659 . 1 1 56 56 ASP C C 13 176.585 0.164 . 1 . . . A 56 ASP C . 25342 1 660 . 1 1 56 56 ASP CA C 13 54.550 0.164 . 1 . . . A 56 ASP CA . 25342 1 661 . 1 1 56 56 ASP CB C 13 38.305 0.164 . 1 . . . A 56 ASP CB . 25342 1 662 . 1 1 56 56 ASP N N 15 120.056 0.121 . 1 . . . A 56 ASP N . 25342 1 663 . 1 1 57 57 GLN H H 1 7.661 0.007 . 1 . . . A 57 GLN H . 25342 1 664 . 1 1 57 57 GLN HA H 1 4.123 0.007 . 1 . . . A 57 GLN HA . 25342 1 665 . 1 1 57 57 GLN HB2 H 1 0.605 0.007 . 2 . . . A 57 GLN HB2 . 25342 1 666 . 1 1 57 57 GLN HB3 H 1 2.365 0.007 . 2 . . . A 57 GLN HB3 . 25342 1 667 . 1 1 57 57 GLN HG2 H 1 2.031 0.007 . 2 . . . A 57 GLN HG2 . 25342 1 668 . 1 1 57 57 GLN HG3 H 1 2.365 0.007 . 2 . . . A 57 GLN HG3 . 25342 1 669 . 1 1 57 57 GLN HE21 H 1 6.905 0.007 . 1 . . . A 57 GLN QE2 . 25342 1 670 . 1 1 57 57 GLN HE22 H 1 6.905 0.007 . 1 . . . A 57 GLN QE2 . 25342 1 671 . 1 1 57 57 GLN C C 13 175.689 0.164 . 1 . . . A 57 GLN C . 25342 1 672 . 1 1 57 57 GLN CA C 13 54.405 0.164 . 1 . . . A 57 GLN CA . 25342 1 673 . 1 1 57 57 GLN CB C 13 23.769 0.164 . 1 . . . A 57 GLN CB . 25342 1 674 . 1 1 57 57 GLN CG C 13 30.186 0.164 . 1 . . . A 57 GLN CG . 25342 1 675 . 1 1 57 57 GLN N N 15 120.020 0.121 . 1 . . . A 57 GLN N . 25342 1 676 . 1 1 57 57 GLN NE2 N 15 105.798 0.121 . 1 . . . A 57 GLN NE2 . 25342 1 677 . 1 1 58 58 ILE H H 1 8.228 0.007 . 1 . . . A 58 ILE H . 25342 1 678 . 1 1 58 58 ILE HA H 1 3.576 0.007 . 1 . . . A 58 ILE HA . 25342 1 679 . 1 1 58 58 ILE HB H 1 1.635 0.007 . 1 . . . A 58 ILE HB . 25342 1 680 . 1 1 58 58 ILE HG12 H 1 1.657 0.007 . 2 . . . A 58 ILE HG12 . 25342 1 681 . 1 1 58 58 ILE HG13 H 1 0.891 0.007 . 2 . . . A 58 ILE HG13 . 25342 1 682 . 1 1 58 58 ILE HG21 H 1 0.571 0.007 . 1 . . . A 58 ILE QG2 . 25342 1 683 . 1 1 58 58 ILE HG22 H 1 0.571 0.007 . 1 . . . A 58 ILE QG2 . 25342 1 684 . 1 1 58 58 ILE HG23 H 1 0.571 0.007 . 1 . . . A 58 ILE QG2 . 25342 1 685 . 1 1 58 58 ILE HD11 H 1 0.209 0.007 . 1 . . . A 58 ILE QD1 . 25342 1 686 . 1 1 58 58 ILE HD12 H 1 0.209 0.007 . 1 . . . A 58 ILE QD1 . 25342 1 687 . 1 1 58 58 ILE HD13 H 1 0.209 0.007 . 1 . . . A 58 ILE QD1 . 25342 1 688 . 1 1 58 58 ILE C C 13 176.237 0.164 . 1 . . . A 58 ILE C . 25342 1 689 . 1 1 58 58 ILE CA C 13 62.506 0.164 . 1 . . . A 58 ILE CA . 25342 1 690 . 1 1 58 58 ILE CB C 13 36.029 0.164 . 1 . . . A 58 ILE CB . 25342 1 691 . 1 1 58 58 ILE CG1 C 13 28.582 0.164 . 1 . . . A 58 ILE CG1 . 25342 1 692 . 1 1 58 58 ILE CG2 C 13 14.455 0.164 . 1 . . . A 58 ILE CG2 . 25342 1 693 . 1 1 58 58 ILE CD1 C 13 10.241 0.164 . 1 . . . A 58 ILE CD1 . 25342 1 694 . 1 1 58 58 ILE N N 15 120.644 0.121 . 1 . . . A 58 ILE N . 25342 1 695 . 1 1 59 59 GLN H H 1 8.331 0.007 . 1 . . . A 59 GLN H . 25342 1 696 . 1 1 59 59 GLN HA H 1 4.142 0.007 . 1 . . . A 59 GLN HA . 25342 1 697 . 1 1 59 59 GLN HB2 H 1 1.990 0.007 . 2 . . . A 59 GLN HB2 . 25342 1 698 . 1 1 59 59 GLN HB3 H 1 2.135 0.007 . 2 . . . A 59 GLN HB3 . 25342 1 699 . 1 1 59 59 GLN HG2 H 1 2.514 0.007 . 2 . . . A 59 GLN HG2 . 25342 1 700 . 1 1 59 59 GLN HG3 H 1 2.355 0.007 . 2 . . . A 59 GLN HG3 . 25342 1 701 . 1 1 59 59 GLN HE21 H 1 6.790 0.007 . 2 . . . A 59 GLN HE21 . 25342 1 702 . 1 1 59 59 GLN HE22 H 1 7.092 0.007 . 1 . . . A 59 GLN HE22 . 25342 1 703 . 1 1 59 59 GLN C C 13 173.781 0.164 . 1 . . . A 59 GLN C . 25342 1 704 . 1 1 59 59 GLN CA C 13 53.982 0.164 . 1 . . . A 59 GLN CA . 25342 1 705 . 1 1 59 59 GLN CB C 13 26.611 0.164 . 1 . . . A 59 GLN CB . 25342 1 706 . 1 1 59 59 GLN CG C 13 32.108 0.164 . 1 . . . A 59 GLN CG . 25342 1 707 . 1 1 59 59 GLN N N 15 115.498 0.121 . 1 . . . A 59 GLN N . 25342 1 708 . 1 1 59 59 GLN NE2 N 15 110.419 0.121 . 1 . . . A 59 GLN NE2 . 25342 1 709 . 1 1 60 60 GLY H H 1 7.611 0.007 . 1 . . . A 60 GLY H . 25342 1 710 . 1 1 60 60 GLY HA2 H 1 4.058 0.007 . 1 . . . A 60 GLY QA . 25342 1 711 . 1 1 60 60 GLY HA3 H 1 4.058 0.007 . 1 . . . A 60 GLY QA . 25342 1 712 . 1 1 60 60 GLY C C 13 172.068 0.164 . 1 . . . A 60 GLY C . 25342 1 713 . 1 1 60 60 GLY CA C 13 42.873 0.164 . 1 . . . A 60 GLY CA . 25342 1 714 . 1 1 60 60 GLY N N 15 106.623 0.121 . 1 . . . A 60 GLY N . 25342 1 715 . 1 1 61 61 ASN H H 1 8.151 0.007 . 1 . . . A 61 ASN H . 25342 1 716 . 1 1 61 61 ASN HA H 1 4.544 0.007 . 1 . . . A 61 ASN HA . 25342 1 717 . 1 1 61 61 ASN HB2 H 1 2.451 0.007 . 2 . . . A 61 ASN HB2 . 25342 1 718 . 1 1 61 61 ASN HB3 H 1 2.751 0.007 . 2 . . . A 61 ASN HB3 . 25342 1 719 . 1 1 61 61 ASN HD21 H 1 6.888 0.007 . 2 . . . A 61 ASN HD21 . 25342 1 720 . 1 1 61 61 ASN HD22 H 1 7.761 0.007 . 2 . . . A 61 ASN HD22 . 25342 1 721 . 1 1 61 61 ASN C C 13 171.946 0.164 . 1 . . . A 61 ASN C . 25342 1 722 . 1 1 61 61 ASN CA C 13 51.569 0.164 . 1 . . . A 61 ASN CA . 25342 1 723 . 1 1 61 61 ASN CB C 13 36.360 0.164 . 1 . . . A 61 ASN CB . 25342 1 724 . 1 1 61 61 ASN N N 15 117.691 0.121 . 1 . . . A 61 ASN N . 25342 1 725 . 1 1 61 61 ASN ND2 N 15 113.894 0.121 . 1 . . . A 61 ASN ND2 . 25342 1 726 . 1 1 62 62 LYS H H 1 7.242 0.007 . 1 . . . A 62 LYS H . 25342 1 727 . 1 1 62 62 LYS HA H 1 4.328 0.007 . 1 . . . A 62 LYS HA . 25342 1 728 . 1 1 62 62 LYS HB2 H 1 1.123 0.007 . 2 . . . A 62 LYS HB2 . 25342 1 729 . 1 1 62 62 LYS HB3 H 1 1.714 0.007 . 2 . . . A 62 LYS HB3 . 25342 1 730 . 1 1 62 62 LYS HG2 H 1 1.251 0.007 . 2 . . . A 62 LYS HG2 . 25342 1 731 . 1 1 62 62 LYS HG3 H 1 1.303 0.007 . 2 . . . A 62 LYS HG3 . 25342 1 732 . 1 1 62 62 LYS HD2 H 1 1.714 0.007 . 1 . . . A 62 LYS QD . 25342 1 733 . 1 1 62 62 LYS HD3 H 1 1.714 0.007 . 1 . . . A 62 LYS QD . 25342 1 734 . 1 1 62 62 LYS HE2 H 1 2.860 0.007 . 1 . . . A 62 LYS QE . 25342 1 735 . 1 1 62 62 LYS HE3 H 1 2.860 0.007 . 1 . . . A 62 LYS QE . 25342 1 736 . 1 1 62 62 LYS C C 13 171.773 0.164 . 1 . . . A 62 LYS C . 25342 1 737 . 1 1 62 62 LYS CA C 13 51.296 0.164 . 1 . . . A 62 LYS CA . 25342 1 738 . 1 1 62 62 LYS CB C 13 34.683 0.164 . 1 . . . A 62 LYS CB . 25342 1 739 . 1 1 62 62 LYS CG C 13 22.909 0.164 . 1 . . . A 62 LYS CG . 25342 1 740 . 1 1 62 62 LYS CD C 13 29.513 0.164 . 1 . . . A 62 LYS CD . 25342 1 741 . 1 1 62 62 LYS CE C 13 39.387 0.164 . 1 . . . A 62 LYS CE . 25342 1 742 . 1 1 62 62 LYS N N 15 118.289 0.121 . 1 . . . A 62 LYS N . 25342 1 743 . 1 1 63 63 ASP H H 1 8.230 0.007 . 1 . . . A 63 ASP H . 25342 1 744 . 1 1 63 63 ASP HA H 1 4.416 0.007 . 1 . . . A 63 ASP HA . 25342 1 745 . 1 1 63 63 ASP HB2 H 1 2.695 0.007 . 2 . . . A 63 ASP HB2 . 25342 1 746 . 1 1 63 63 ASP HB3 H 1 2.302 0.007 . 2 . . . A 63 ASP HB3 . 25342 1 747 . 1 1 63 63 ASP C C 13 174.476 0.164 . 1 . . . A 63 ASP C . 25342 1 748 . 1 1 63 63 ASP CA C 13 51.461 0.164 . 1 . . . A 63 ASP CA . 25342 1 749 . 1 1 63 63 ASP CB C 13 38.515 0.164 . 1 . . . A 63 ASP CB . 25342 1 750 . 1 1 63 63 ASP N N 15 119.888 0.121 . 1 . . . A 63 ASP N . 25342 1 751 . 1 1 64 64 PHE H H 1 8.428 0.007 . 1 . . . A 64 PHE H . 25342 1 752 . 1 1 64 64 PHE HA H 1 3.816 0.007 . 1 . . . A 64 PHE HA . 25342 1 753 . 1 1 64 64 PHE HB2 H 1 2.605 0.007 . 2 . . . A 64 PHE HB2 . 25342 1 754 . 1 1 64 64 PHE HB3 H 1 2.663 0.007 . 2 . . . A 64 PHE HB3 . 25342 1 755 . 1 1 64 64 PHE HD1 H 1 7.158 0.007 . 1 . . . A 64 PHE QD . 25342 1 756 . 1 1 64 64 PHE HD2 H 1 7.158 0.007 . 1 . . . A 64 PHE QD . 25342 1 757 . 1 1 64 64 PHE HE1 H 1 6.918 0.007 . 1 . . . A 64 PHE QE . 25342 1 758 . 1 1 64 64 PHE HE2 H 1 6.918 0.007 . 1 . . . A 64 PHE QE . 25342 1 759 . 1 1 64 64 PHE CA C 13 56.250 0.164 . 1 . . . A 64 PHE CA . 25342 1 760 . 1 1 64 64 PHE CB C 13 35.034 0.164 . 1 . . . A 64 PHE CB . 25342 1 761 . 1 1 64 64 PHE CD2 C 13 126.669 0.164 . 3 . . . A 64 PHE CD2 . 25342 1 762 . 1 1 64 64 PHE CE2 C 13 126.814 0.164 . 3 . . . A 64 PHE CE2 . 25342 1 763 . 1 1 64 64 PHE N N 15 119.789 0.121 . 1 . . . A 64 PHE N . 25342 1 764 . 1 1 65 65 PRO HA H 1 4.313 0.007 . 1 . . . A 65 PRO HA . 25342 1 765 . 1 1 65 65 PRO HB2 H 1 1.885 0.007 . 2 . . . A 65 PRO HB2 . 25342 1 766 . 1 1 65 65 PRO HB3 H 1 1.707 0.007 . 2 . . . A 65 PRO HB3 . 25342 1 767 . 1 1 65 65 PRO HG2 H 1 1.742 0.007 . 1 . . . A 65 PRO QG . 25342 1 768 . 1 1 65 65 PRO HG3 H 1 1.742 0.007 . 1 . . . A 65 PRO QG . 25342 1 769 . 1 1 65 65 PRO HD2 H 1 3.382 0.007 . 2 . . . A 65 PRO HD2 . 25342 1 770 . 1 1 65 65 PRO HD3 H 1 3.502 0.007 . 2 . . . A 65 PRO HD3 . 25342 1 771 . 1 1 65 65 PRO C C 13 173.975 0.164 . 1 . . . A 65 PRO C . 25342 1 772 . 1 1 65 65 PRO CA C 13 60.056 0.164 . 1 . . . A 65 PRO CA . 25342 1 773 . 1 1 65 65 PRO CB C 13 29.520 0.164 . 1 . . . A 65 PRO CB . 25342 1 774 . 1 1 65 65 PRO CG C 13 25.291 0.164 . 1 . . . A 65 PRO CG . 25342 1 775 . 1 1 65 65 PRO CD C 13 46.789 0.164 . 1 . . . A 65 PRO CD . 25342 1 776 . 1 1 66 66 GLU H H 1 8.225 0.007 . 1 . . . A 66 GLU H . 25342 1 777 . 1 1 66 66 GLU HA H 1 4.233 0.007 . 1 . . . A 66 GLU HA . 25342 1 778 . 1 1 66 66 GLU HB2 H 1 1.921 0.007 . 2 . . . A 66 GLU HB2 . 25342 1 779 . 1 1 66 66 GLU HB3 H 1 1.777 0.007 . 2 . . . A 66 GLU HB3 . 25342 1 780 . 1 1 66 66 GLU HG2 H 1 2.166 0.007 . 2 . . . A 66 GLU HG2 . 25342 1 781 . 1 1 66 66 GLU HG3 H 1 2.309 0.007 . 2 . . . A 66 GLU HG3 . 25342 1 782 . 1 1 66 66 GLU C C 13 173.978 0.164 . 1 . . . A 66 GLU C . 25342 1 783 . 1 1 66 66 GLU CA C 13 53.531 0.164 . 1 . . . A 66 GLU CA . 25342 1 784 . 1 1 66 66 GLU CB C 13 27.700 0.164 . 1 . . . A 66 GLU CB . 25342 1 785 . 1 1 66 66 GLU CG C 13 33.942 0.164 . 1 . . . A 66 GLU CG . 25342 1 786 . 1 1 66 66 GLU N N 15 121.326 0.121 . 1 . . . A 66 GLU N . 25342 1 787 . 1 1 67 67 ILE H H 1 8.366 0.007 . 1 . . . A 67 ILE H . 25342 1 788 . 1 1 67 67 ILE HA H 1 5.169 0.007 . 1 . . . A 67 ILE HA . 25342 1 789 . 1 1 67 67 ILE HB H 1 1.704 0.007 . 1 . . . A 67 ILE HB . 25342 1 790 . 1 1 67 67 ILE HG21 H 1 0.652 0.007 . 1 . . . A 67 ILE QG2 . 25342 1 791 . 1 1 67 67 ILE HG22 H 1 0.652 0.007 . 1 . . . A 67 ILE QG2 . 25342 1 792 . 1 1 67 67 ILE HG23 H 1 0.652 0.007 . 1 . . . A 67 ILE QG2 . 25342 1 793 . 1 1 67 67 ILE HD11 H 1 0.576 0.007 . 1 . . . A 67 ILE QD1 . 25342 1 794 . 1 1 67 67 ILE HD12 H 1 0.576 0.007 . 1 . . . A 67 ILE QD1 . 25342 1 795 . 1 1 67 67 ILE HD13 H 1 0.576 0.007 . 1 . . . A 67 ILE QD1 . 25342 1 796 . 1 1 67 67 ILE C C 13 172.791 0.164 . 1 . . . A 67 ILE C . 25342 1 797 . 1 1 67 67 ILE CA C 13 56.275 0.164 . 1 . . . A 67 ILE CA . 25342 1 798 . 1 1 67 67 ILE CB C 13 39.016 0.164 . 1 . . . A 67 ILE CB . 25342 1 799 . 1 1 67 67 ILE CG2 C 13 14.709 0.164 . 1 . . . A 67 ILE CG2 . 25342 1 800 . 1 1 67 67 ILE CD1 C 13 11.226 0.164 . 1 . . . A 67 ILE CD1 . 25342 1 801 . 1 1 67 67 ILE N N 15 113.897 0.121 . 1 . . . A 67 ILE N . 25342 1 802 . 1 1 68 68 GLN H H 1 8.763 0.007 . 1 . . . A 68 GLN H . 25342 1 803 . 1 1 68 68 GLN HA H 1 4.519 0.007 . 1 . . . A 68 GLN HA . 25342 1 804 . 1 1 68 68 GLN HB2 H 1 1.722 0.007 . 2 . . . A 68 GLN HB2 . 25342 1 805 . 1 1 68 68 GLN HB3 H 1 1.811 0.007 . 2 . . . A 68 GLN HB3 . 25342 1 806 . 1 1 68 68 GLN HG2 H 1 2.118 0.007 . 2 . . . A 68 GLN HG2 . 25342 1 807 . 1 1 68 68 GLN HG3 H 1 2.088 0.007 . 1 . . . A 68 GLN HG3 . 25342 1 808 . 1 1 68 68 GLN HE21 H 1 7.193 0.007 . 2 . . . A 68 GLN HE21 . 25342 1 809 . 1 1 68 68 GLN HE22 H 1 6.559 0.007 . 2 . . . A 68 GLN HE22 . 25342 1 810 . 1 1 68 68 GLN C C 13 171.562 0.164 . 1 . . . A 68 GLN C . 25342 1 811 . 1 1 68 68 GLN CA C 13 52.313 0.164 . 1 . . . A 68 GLN CA . 25342 1 812 . 1 1 68 68 GLN CB C 13 26.785 0.164 . 1 . . . A 68 GLN CB . 25342 1 813 . 1 1 68 68 GLN CG C 13 30.720 0.164 . 1 . . . A 68 GLN CG . 25342 1 814 . 1 1 68 68 GLN N N 15 121.654 0.121 . 1 . . . A 68 GLN N . 25342 1 815 . 1 1 68 68 GLN NE2 N 15 110.230 0.121 . 1 . . . A 68 GLN NE2 . 25342 1 816 . 1 1 69 69 LEU H H 1 7.996 0.007 . 1 . . . A 69 LEU H . 25342 1 817 . 1 1 69 69 LEU HA H 1 4.519 0.007 . 1 . . . A 69 LEU HA . 25342 1 818 . 1 1 69 69 LEU HB2 H 1 1.383 0.007 . 2 . . . A 69 LEU HB2 . 25342 1 819 . 1 1 69 69 LEU HB3 H 1 1.647 0.007 . 2 . . . A 69 LEU HB3 . 25342 1 820 . 1 1 69 69 LEU HG H 1 1.707 0.007 . 1 . . . A 69 LEU HG . 25342 1 821 . 1 1 69 69 LEU HD11 H 1 0.779 0.007 . 2 . . . A 69 LEU QD1 . 25342 1 822 . 1 1 69 69 LEU HD12 H 1 0.779 0.007 . 2 . . . A 69 LEU QD1 . 25342 1 823 . 1 1 69 69 LEU HD13 H 1 0.779 0.007 . 2 . . . A 69 LEU QD1 . 25342 1 824 . 1 1 69 69 LEU HD21 H 1 0.777 0.007 . 2 . . . A 69 LEU QD2 . 25342 1 825 . 1 1 69 69 LEU HD22 H 1 0.777 0.007 . 2 . . . A 69 LEU QD2 . 25342 1 826 . 1 1 69 69 LEU HD23 H 1 0.777 0.007 . 2 . . . A 69 LEU QD2 . 25342 1 827 . 1 1 69 69 LEU C C 13 172.567 0.164 . 1 . . . A 69 LEU C . 25342 1 828 . 1 1 69 69 LEU CA C 13 51.797 0.164 . 1 . . . A 69 LEU CA . 25342 1 829 . 1 1 69 69 LEU CB C 13 42.742 0.164 . 1 . . . A 69 LEU CB . 25342 1 830 . 1 1 69 69 LEU CG C 13 25.772 0.164 . 1 . . . A 69 LEU CG . 25342 1 831 . 1 1 69 69 LEU CD1 C 13 24.019 0.164 . 2 . . . A 69 LEU CD1 . 25342 1 832 . 1 1 69 69 LEU CD2 C 13 22.794 0.164 . 2 . . . A 69 LEU CD2 . 25342 1 833 . 1 1 69 69 LEU N N 15 125.289 0.121 . 1 . . . A 69 LEU N . 25342 1 834 . 1 1 70 70 ASP H H 1 8.278 0.007 . 1 . . . A 70 ASP H . 25342 1 835 . 1 1 70 70 ASP HA H 1 4.406 0.007 . 1 . . . A 70 ASP HA . 25342 1 836 . 1 1 70 70 ASP HB2 H 1 2.262 0.007 . 2 . . . A 70 ASP HB2 . 25342 1 837 . 1 1 70 70 ASP HB3 H 1 2.599 0.007 . 2 . . . A 70 ASP HB3 . 25342 1 838 . 1 1 70 70 ASP C C 13 171.978 0.164 . 1 . . . A 70 ASP C . 25342 1 839 . 1 1 70 70 ASP CA C 13 51.682 0.164 . 1 . . . A 70 ASP CA . 25342 1 840 . 1 1 70 70 ASP CB C 13 38.729 0.164 . 1 . . . A 70 ASP CB . 25342 1 841 . 1 1 70 70 ASP N N 15 123.170 0.121 . 1 . . . A 70 ASP N . 25342 1 842 . 1 1 71 71 ASN H H 1 8.372 0.007 . 1 . . . A 71 ASN H . 25342 1 843 . 1 1 71 71 ASN HA H 1 4.327 0.007 . 1 . . . A 71 ASN HA . 25342 1 844 . 1 1 71 71 ASN HB2 H 1 2.606 0.007 . 2 . . . A 71 ASN HB2 . 25342 1 845 . 1 1 71 71 ASN HB3 H 1 2.662 0.007 . 2 . . . A 71 ASN HB3 . 25342 1 846 . 1 1 71 71 ASN HD21 H 1 7.507 0.007 . 2 . . . A 71 ASN HD21 . 25342 1 847 . 1 1 71 71 ASN HD22 H 1 6.787 0.007 . 2 . . . A 71 ASN HD22 . 25342 1 848 . 1 1 71 71 ASN C C 13 171.825 0.164 . 1 . . . A 71 ASN C . 25342 1 849 . 1 1 71 71 ASN CA C 13 51.657 0.164 . 1 . . . A 71 ASN CA . 25342 1 850 . 1 1 71 71 ASN CB C 13 35.230 0.164 . 1 . . . A 71 ASN CB . 25342 1 851 . 1 1 71 71 ASN N N 15 117.524 0.121 . 1 . . . A 71 ASN N . 25342 1 852 . 1 1 71 71 ASN ND2 N 15 112.814 0.121 . 1 . . . A 71 ASN ND2 . 25342 1 853 . 1 1 72 72 ILE H H 1 7.653 0.007 . 1 . . . A 72 ILE H . 25342 1 854 . 1 1 72 72 ILE HA H 1 3.929 0.007 . 1 . . . A 72 ILE HA . 25342 1 855 . 1 1 72 72 ILE HB H 1 1.036 0.007 . 1 . . . A 72 ILE HB . 25342 1 856 . 1 1 72 72 ILE HG12 H 1 0.707 0.007 . 2 . . . A 72 ILE HG12 . 25342 1 857 . 1 1 72 72 ILE HG13 H 1 1.189 0.007 . 2 . . . A 72 ILE HG13 . 25342 1 858 . 1 1 72 72 ILE HG21 H 1 0.304 0.007 . 1 . . . A 72 ILE QG2 . 25342 1 859 . 1 1 72 72 ILE HG22 H 1 0.304 0.007 . 1 . . . A 72 ILE QG2 . 25342 1 860 . 1 1 72 72 ILE HG23 H 1 0.304 0.007 . 1 . . . A 72 ILE QG2 . 25342 1 861 . 1 1 72 72 ILE HD11 H 1 0.633 0.007 . 1 . . . A 72 ILE QD1 . 25342 1 862 . 1 1 72 72 ILE HD12 H 1 0.633 0.007 . 1 . . . A 72 ILE QD1 . 25342 1 863 . 1 1 72 72 ILE HD13 H 1 0.633 0.007 . 1 . . . A 72 ILE QD1 . 25342 1 864 . 1 1 72 72 ILE C C 13 171.607 0.164 . 1 . . . A 72 ILE C . 25342 1 865 . 1 1 72 72 ILE CA C 13 57.289 0.164 . 1 . . . A 72 ILE CA . 25342 1 866 . 1 1 72 72 ILE CB C 13 38.760 0.164 . 1 . . . A 72 ILE CB . 25342 1 867 . 1 1 72 72 ILE CG1 C 13 24.388 0.164 . 1 . . . A 72 ILE CG1 . 25342 1 868 . 1 1 72 72 ILE CG2 C 13 15.297 0.164 . 1 . . . A 72 ILE CG2 . 25342 1 869 . 1 1 72 72 ILE CD1 C 13 11.880 0.164 . 1 . . . A 72 ILE CD1 . 25342 1 870 . 1 1 72 72 ILE N N 15 124.515 0.121 . 1 . . . A 72 ILE N . 25342 1 871 . 1 1 73 73 ASP H H 1 8.382 0.007 . 1 . . . A 73 ASP H . 25342 1 872 . 1 1 73 73 ASP HA H 1 4.628 0.007 . 1 . . . A 73 ASP HA . 25342 1 873 . 1 1 73 73 ASP HB2 H 1 2.347 0.007 . 2 . . . A 73 ASP HB2 . 25342 1 874 . 1 1 73 73 ASP HB3 H 1 2.804 0.007 . 2 . . . A 73 ASP HB3 . 25342 1 875 . 1 1 73 73 ASP C C 13 173.980 0.164 . 1 . . . A 73 ASP C . 25342 1 876 . 1 1 73 73 ASP CA C 13 49.214 0.164 . 1 . . . A 73 ASP CA . 25342 1 877 . 1 1 73 73 ASP CB C 13 36.902 0.164 . 1 . . . A 73 ASP CB . 25342 1 878 . 1 1 73 73 ASP N N 15 125.182 0.121 . 1 . . . A 73 ASP N . 25342 1 879 . 1 1 74 74 TYR H H 1 7.348 0.007 . 1 . . . A 74 TYR H . 25342 1 880 . 1 1 74 74 TYR HA H 1 3.865 0.007 . 1 . . . A 74 TYR HA . 25342 1 881 . 1 1 74 74 TYR HB2 H 1 2.836 0.007 . 2 . . . A 74 TYR HB2 . 25342 1 882 . 1 1 74 74 TYR HB3 H 1 2.654 0.007 . 2 . . . A 74 TYR HB3 . 25342 1 883 . 1 1 74 74 TYR HD1 H 1 6.846 0.007 . 1 . . . A 74 TYR QD . 25342 1 884 . 1 1 74 74 TYR HD2 H 1 6.846 0.007 . 1 . . . A 74 TYR QD . 25342 1 885 . 1 1 74 74 TYR HE1 H 1 6.492 0.007 . 1 . . . A 74 TYR QE . 25342 1 886 . 1 1 74 74 TYR HE2 H 1 6.492 0.007 . 1 . . . A 74 TYR QE . 25342 1 887 . 1 1 74 74 TYR C C 13 173.582 0.164 . 1 . . . A 74 TYR C . 25342 1 888 . 1 1 74 74 TYR CA C 13 59.486 0.164 . 1 . . . A 74 TYR CA . 25342 1 889 . 1 1 74 74 TYR CB C 13 34.808 0.164 . 1 . . . A 74 TYR CB . 25342 1 890 . 1 1 74 74 TYR CD2 C 13 127.210 0.164 . 3 . . . A 74 TYR CD2 . 25342 1 891 . 1 1 74 74 TYR CE2 C 13 114.142 0.164 . 3 . . . A 74 TYR CE2 . 25342 1 892 . 1 1 74 74 TYR N N 15 123.092 0.121 . 1 . . . A 74 TYR N . 25342 1 893 . 1 1 75 75 ASN H H 1 8.040 0.007 . 1 . . . A 75 ASN H . 25342 1 894 . 1 1 75 75 ASN HA H 1 4.925 0.007 . 1 . . . A 75 ASN HA . 25342 1 895 . 1 1 75 75 ASN HB2 H 1 2.852 0.007 . 2 . . . A 75 ASN HB2 . 25342 1 896 . 1 1 75 75 ASN HB3 H 1 2.953 0.007 . 2 . . . A 75 ASN HB3 . 25342 1 897 . 1 1 75 75 ASN HD21 H 1 8.016 0.007 . 2 . . . A 75 ASN HD21 . 25342 1 898 . 1 1 75 75 ASN HD22 H 1 7.154 0.007 . 2 . . . A 75 ASN HD22 . 25342 1 899 . 1 1 75 75 ASN C C 13 172.570 0.164 . 1 . . . A 75 ASN C . 25342 1 900 . 1 1 75 75 ASN CA C 13 52.618 0.164 . 1 . . . A 75 ASN CA . 25342 1 901 . 1 1 75 75 ASN CB C 13 35.534 0.164 . 1 . . . A 75 ASN CB . 25342 1 902 . 1 1 75 75 ASN N N 15 109.447 0.121 . 1 . . . A 75 ASN N . 25342 1 903 . 1 1 75 75 ASN ND2 N 15 115.384 0.121 . 1 . . . A 75 ASN ND2 . 25342 1 904 . 1 1 76 76 ASN H H 1 7.750 0.007 . 1 . . . A 76 ASN H . 25342 1 905 . 1 1 76 76 ASN HA H 1 4.454 0.007 . 1 . . . A 76 ASN HA . 25342 1 906 . 1 1 76 76 ASN HB2 H 1 2.265 0.007 . 2 . . . A 76 ASN HB2 . 25342 1 907 . 1 1 76 76 ASN HB3 H 1 2.388 0.007 . 2 . . . A 76 ASN HB3 . 25342 1 908 . 1 1 76 76 ASN HD21 H 1 7.078 0.007 . 2 . . . A 76 ASN HD21 . 25342 1 909 . 1 1 76 76 ASN HD22 H 1 6.848 0.007 . 2 . . . A 76 ASN HD22 . 25342 1 910 . 1 1 76 76 ASN C C 13 171.155 0.164 . 1 . . . A 76 ASN C . 25342 1 911 . 1 1 76 76 ASN CA C 13 50.934 0.164 . 1 . . . A 76 ASN CA . 25342 1 912 . 1 1 76 76 ASN CB C 13 35.658 0.164 . 1 . . . A 76 ASN CB . 25342 1 913 . 1 1 76 76 ASN N N 15 117.411 0.121 . 1 . . . A 76 ASN N . 25342 1 914 . 1 1 76 76 ASN ND2 N 15 111.718 0.121 . 1 . . . A 76 ASN ND2 . 25342 1 915 . 1 1 77 77 TYR H H 1 7.789 0.007 . 1 . . . A 77 TYR H . 25342 1 916 . 1 1 77 77 TYR HA H 1 4.354 0.007 . 1 . . . A 77 TYR HA . 25342 1 917 . 1 1 77 77 TYR HB2 H 1 3.142 0.007 . 2 . . . A 77 TYR HB2 . 25342 1 918 . 1 1 77 77 TYR HB3 H 1 2.743 0.007 . 2 . . . A 77 TYR HB3 . 25342 1 919 . 1 1 77 77 TYR HD1 H 1 6.889 0.007 . 1 . . . A 77 TYR QD . 25342 1 920 . 1 1 77 77 TYR HD2 H 1 6.889 0.007 . 1 . . . A 77 TYR QD . 25342 1 921 . 1 1 77 77 TYR HE1 H 1 6.716 0.007 . 1 . . . A 77 TYR QE . 25342 1 922 . 1 1 77 77 TYR HE2 H 1 6.716 0.007 . 1 . . . A 77 TYR QE . 25342 1 923 . 1 1 77 77 TYR C C 13 172.224 0.164 . 1 . . . A 77 TYR C . 25342 1 924 . 1 1 77 77 TYR CA C 13 55.240 0.164 . 1 . . . A 77 TYR CA . 25342 1 925 . 1 1 77 77 TYR CB C 13 37.113 0.164 . 1 . . . A 77 TYR CB . 25342 1 926 . 1 1 77 77 TYR CD2 C 13 129.408 0.164 . 3 . . . A 77 TYR CD2 . 25342 1 927 . 1 1 77 77 TYR CE2 C 13 113.714 0.164 . 3 . . . A 77 TYR CE2 . 25342 1 928 . 1 1 77 77 TYR N N 15 116.878 0.121 . 1 . . . A 77 TYR N . 25342 1 929 . 1 1 78 78 ASP H H 1 9.036 0.007 . 1 . . . A 78 ASP H . 25342 1 930 . 1 1 78 78 ASP HA H 1 4.797 0.007 . 1 . . . A 78 ASP HA . 25342 1 931 . 1 1 78 78 ASP HB2 H 1 2.869 0.007 . 2 . . . A 78 ASP HB2 . 25342 1 932 . 1 1 78 78 ASP HB3 H 1 2.444 0.007 . 2 . . . A 78 ASP HB3 . 25342 1 933 . 1 1 78 78 ASP C C 13 172.623 0.164 . 1 . . . A 78 ASP C . 25342 1 934 . 1 1 78 78 ASP CA C 13 53.190 0.164 . 1 . . . A 78 ASP CA . 25342 1 935 . 1 1 78 78 ASP CB C 13 41.035 0.164 . 1 . . . A 78 ASP CB . 25342 1 936 . 1 1 78 78 ASP N N 15 121.352 0.121 . 1 . . . A 78 ASP N . 25342 1 937 . 1 1 79 79 LEU H H 1 7.877 0.007 . 1 . . . A 79 LEU H . 25342 1 938 . 1 1 79 79 LEU HA H 1 5.108 0.007 . 1 . . . A 79 LEU HA . 25342 1 939 . 1 1 79 79 LEU HB2 H 1 1.809 0.007 . 2 . . . A 79 LEU HB2 . 25342 1 940 . 1 1 79 79 LEU HB3 H 1 1.203 0.007 . 2 . . . A 79 LEU HB3 . 25342 1 941 . 1 1 79 79 LEU HG H 1 1.150 0.007 . 1 . . . A 79 LEU HG . 25342 1 942 . 1 1 79 79 LEU HD11 H 1 0.645 0.007 . 2 . . . A 79 LEU QD1 . 25342 1 943 . 1 1 79 79 LEU HD12 H 1 0.645 0.007 . 2 . . . A 79 LEU QD1 . 25342 1 944 . 1 1 79 79 LEU HD13 H 1 0.645 0.007 . 2 . . . A 79 LEU QD1 . 25342 1 945 . 1 1 79 79 LEU HD21 H 1 0.777 0.007 . 2 . . . A 79 LEU QD2 . 25342 1 946 . 1 1 79 79 LEU HD22 H 1 0.777 0.007 . 2 . . . A 79 LEU QD2 . 25342 1 947 . 1 1 79 79 LEU HD23 H 1 0.777 0.007 . 2 . . . A 79 LEU QD2 . 25342 1 948 . 1 1 79 79 LEU C C 13 170.730 0.164 . 1 . . . A 79 LEU C . 25342 1 949 . 1 1 79 79 LEU CA C 13 51.257 0.164 . 1 . . . A 79 LEU CA . 25342 1 950 . 1 1 79 79 LEU CB C 13 42.284 0.164 . 1 . . . A 79 LEU CB . 25342 1 951 . 1 1 79 79 LEU CG C 13 25.371 0.164 . 1 . . . A 79 LEU CG . 25342 1 952 . 1 1 79 79 LEU CD1 C 13 20.487 0.164 . 2 . . . A 79 LEU CD1 . 25342 1 953 . 1 1 79 79 LEU CD2 C 13 23.126 0.164 . 2 . . . A 79 LEU CD2 . 25342 1 954 . 1 1 79 79 LEU N N 15 123.073 0.121 . 1 . . . A 79 LEU N . 25342 1 955 . 1 1 80 80 ILE H H 1 8.704 0.007 . 1 . . . A 80 ILE H . 25342 1 956 . 1 1 80 80 ILE HA H 1 5.069 0.007 . 1 . . . A 80 ILE HA . 25342 1 957 . 1 1 80 80 ILE HB H 1 1.325 0.007 . 1 . . . A 80 ILE HB . 25342 1 958 . 1 1 80 80 ILE HG12 H 1 1.718 0.007 . 1 . . . A 80 ILE QG1 . 25342 1 959 . 1 1 80 80 ILE HG13 H 1 1.718 0.007 . 1 . . . A 80 ILE QG1 . 25342 1 960 . 1 1 80 80 ILE HG21 H 1 0.544 0.007 . 1 . . . A 80 ILE QG2 . 25342 1 961 . 1 1 80 80 ILE HG22 H 1 0.544 0.007 . 1 . . . A 80 ILE QG2 . 25342 1 962 . 1 1 80 80 ILE HG23 H 1 0.544 0.007 . 1 . . . A 80 ILE QG2 . 25342 1 963 . 1 1 80 80 ILE HD11 H 1 0.078 0.007 . 1 . . . A 80 ILE QD1 . 25342 1 964 . 1 1 80 80 ILE HD12 H 1 0.078 0.007 . 1 . . . A 80 ILE QD1 . 25342 1 965 . 1 1 80 80 ILE HD13 H 1 0.078 0.007 . 1 . . . A 80 ILE QD1 . 25342 1 966 . 1 1 80 80 ILE C C 13 171.584 0.164 . 1 . . . A 80 ILE C . 25342 1 967 . 1 1 80 80 ILE CA C 13 57.415 0.164 . 1 . . . A 80 ILE CA . 25342 1 968 . 1 1 80 80 ILE CB C 13 37.998 0.164 . 1 . . . A 80 ILE CB . 25342 1 969 . 1 1 80 80 ILE CG1 C 13 24.977 0.164 . 1 . . . A 80 ILE CG1 . 25342 1 970 . 1 1 80 80 ILE CG2 C 13 14.276 0.164 . 1 . . . A 80 ILE CG2 . 25342 1 971 . 1 1 80 80 ILE CD1 C 13 10.883 0.164 . 1 . . . A 80 ILE CD1 . 25342 1 972 . 1 1 80 80 ILE N N 15 126.348 0.121 . 1 . . . A 80 ILE N . 25342 1 973 . 1 1 81 81 LEU H H 1 9.202 0.007 . 1 . . . A 81 LEU H . 25342 1 974 . 1 1 81 81 LEU HA H 1 5.123 0.007 . 1 . . . A 81 LEU HA . 25342 1 975 . 1 1 81 81 LEU HB2 H 1 1.907 0.007 . 2 . . . A 81 LEU HB2 . 25342 1 976 . 1 1 81 81 LEU HB3 H 1 1.451 0.007 . 2 . . . A 81 LEU HB3 . 25342 1 977 . 1 1 81 81 LEU HG H 1 1.578 0.007 . 1 . . . A 81 LEU HG . 25342 1 978 . 1 1 81 81 LEU HD11 H 1 0.802 0.007 . 1 . . . A 81 LEU QQD . 25342 1 979 . 1 1 81 81 LEU HD12 H 1 0.802 0.007 . 1 . . . A 81 LEU QQD . 25342 1 980 . 1 1 81 81 LEU HD13 H 1 0.802 0.007 . 1 . . . A 81 LEU QQD . 25342 1 981 . 1 1 81 81 LEU HD21 H 1 0.802 0.007 . 1 . . . A 81 LEU QQD . 25342 1 982 . 1 1 81 81 LEU HD22 H 1 0.802 0.007 . 1 . . . A 81 LEU QQD . 25342 1 983 . 1 1 81 81 LEU HD23 H 1 0.802 0.007 . 1 . . . A 81 LEU QQD . 25342 1 984 . 1 1 81 81 LEU C C 13 172.779 0.164 . 1 . . . A 81 LEU C . 25342 1 985 . 1 1 81 81 LEU CA C 13 49.509 0.164 . 1 . . . A 81 LEU CA . 25342 1 986 . 1 1 81 81 LEU CB C 13 41.715 0.164 . 1 . . . A 81 LEU CB . 25342 1 987 . 1 1 81 81 LEU CG C 13 25.535 0.164 . 1 . . . A 81 LEU CG . 25342 1 988 . 1 1 81 81 LEU CD1 C 13 23.166 0.164 . 2 . . . A 81 LEU CD1 . 25342 1 989 . 1 1 81 81 LEU CD2 C 13 23.166 0.164 . 2 . . . A 81 LEU CD2 . 25342 1 990 . 1 1 81 81 LEU N N 15 126.303 0.121 . 1 . . . A 81 LEU N . 25342 1 991 . 1 1 82 82 ILE H H 1 8.846 0.007 . 1 . . . A 82 ILE H . 25342 1 992 . 1 1 82 82 ILE HA H 1 4.847 0.007 . 1 . . . A 82 ILE HA . 25342 1 993 . 1 1 82 82 ILE HB H 1 1.522 0.007 . 1 . . . A 82 ILE HB . 25342 1 994 . 1 1 82 82 ILE HG12 H 1 1.538 0.007 . 2 . . . A 82 ILE HG12 . 25342 1 995 . 1 1 82 82 ILE HG13 H 1 0.849 0.007 . 2 . . . A 82 ILE HG13 . 25342 1 996 . 1 1 82 82 ILE HG21 H 1 0.740 0.007 . 1 . . . A 82 ILE QG2 . 25342 1 997 . 1 1 82 82 ILE HG22 H 1 0.740 0.007 . 1 . . . A 82 ILE QG2 . 25342 1 998 . 1 1 82 82 ILE HG23 H 1 0.740 0.007 . 1 . . . A 82 ILE QG2 . 25342 1 999 . 1 1 82 82 ILE HD11 H 1 0.742 0.007 . 1 . . . A 82 ILE QD1 . 25342 1 1000 . 1 1 82 82 ILE HD12 H 1 0.742 0.007 . 1 . . . A 82 ILE QD1 . 25342 1 1001 . 1 1 82 82 ILE HD13 H 1 0.742 0.007 . 1 . . . A 82 ILE QD1 . 25342 1 1002 . 1 1 82 82 ILE C C 13 172.796 0.164 . 1 . . . A 82 ILE C . 25342 1 1003 . 1 1 82 82 ILE CA C 13 56.881 0.164 . 1 . . . A 82 ILE CA . 25342 1 1004 . 1 1 82 82 ILE CB C 13 37.797 0.164 . 1 . . . A 82 ILE CB . 25342 1 1005 . 1 1 82 82 ILE CG1 C 13 25.307 0.164 . 1 . . . A 82 ILE CG1 . 25342 1 1006 . 1 1 82 82 ILE CG2 C 13 15.873 0.164 . 1 . . . A 82 ILE CG2 . 25342 1 1007 . 1 1 82 82 ILE CD1 C 13 12.166 0.164 . 1 . . . A 82 ILE CD1 . 25342 1 1008 . 1 1 82 82 ILE N N 15 120.931 0.121 . 1 . . . A 82 ILE N . 25342 1 1009 . 1 1 83 83 GLY H H 1 9.558 0.007 . 1 . . . A 83 GLY H . 25342 1 1010 . 1 1 83 83 GLY HA2 H 1 4.275 0.007 . 2 . . . A 83 GLY HA2 . 25342 1 1011 . 1 1 83 83 GLY HA3 H 1 1.829 0.007 . 2 . . . A 83 GLY HA3 . 25342 1 1012 . 1 1 83 83 GLY CA C 13 40.557 0.164 . 1 . . . A 83 GLY CA . 25342 1 1013 . 1 1 83 83 GLY N N 15 120.905 0.121 . 1 . . . A 83 GLY N . 25342 1 1014 . 1 1 84 84 SER H H 1 7.533 0.007 . 1 . . . A 84 SER H . 25342 1 1015 . 1 1 84 84 SER HA H 1 5.476 0.007 . 1 . . . A 84 SER HA . 25342 1 1016 . 1 1 84 84 SER HB2 H 1 3.705 0.007 . 2 . . . A 84 SER HB2 . 25342 1 1017 . 1 1 84 84 SER HB3 H 1 4.066 0.007 . 2 . . . A 84 SER HB3 . 25342 1 1018 . 1 1 84 84 SER CA C 13 51.324 0.164 . 1 . . . A 84 SER CA . 25342 1 1019 . 1 1 84 84 SER CB C 13 64.271 0.164 . 1 . . . A 84 SER CB . 25342 1 1020 . 1 1 84 84 SER N N 15 116.601 0.121 . 1 . . . A 84 SER N . 25342 1 1021 . 1 1 85 85 PRO HA H 1 5.163 0.007 . 1 . . . A 85 PRO HA . 25342 1 1022 . 1 1 85 85 PRO HB2 H 1 1.369 0.007 . 2 . . . A 85 PRO HB2 . 25342 1 1023 . 1 1 85 85 PRO HB3 H 1 2.915 0.007 . 2 . . . A 85 PRO HB3 . 25342 1 1024 . 1 1 85 85 PRO HG2 H 1 1.921 0.007 . 1 . . . A 85 PRO QG . 25342 1 1025 . 1 1 85 85 PRO HG3 H 1 1.921 0.007 . 1 . . . A 85 PRO QG . 25342 1 1026 . 1 1 85 85 PRO HD2 H 1 3.809 0.007 . 2 . . . A 85 PRO HD2 . 25342 1 1027 . 1 1 85 85 PRO HD3 H 1 3.896 0.007 . 2 . . . A 85 PRO HD3 . 25342 1 1028 . 1 1 85 85 PRO C C 13 175.590 0.164 . 1 . . . A 85 PRO C . 25342 1 1029 . 1 1 85 85 PRO CA C 13 58.883 0.164 . 1 . . . A 85 PRO CA . 25342 1 1030 . 1 1 85 85 PRO CB C 13 30.474 0.164 . 1 . . . A 85 PRO CB . 25342 1 1031 . 1 1 85 85 PRO CG C 13 23.657 0.164 . 1 . . . A 85 PRO CG . 25342 1 1032 . 1 1 85 85 PRO CD C 13 48.186 0.164 . 1 . . . A 85 PRO CD . 25342 1 1033 . 1 1 86 86 VAL H H 1 7.246 0.007 . 1 . . . A 86 VAL H . 25342 1 1034 . 1 1 86 86 VAL HA H 1 3.821 0.007 . 1 . . . A 86 VAL HA . 25342 1 1035 . 1 1 86 86 VAL HB H 1 1.462 0.007 . 1 . . . A 86 VAL HB . 25342 1 1036 . 1 1 86 86 VAL HG11 H 1 0.773 0.007 . 2 . . . A 86 VAL QG1 . 25342 1 1037 . 1 1 86 86 VAL HG12 H 1 0.773 0.007 . 2 . . . A 86 VAL QG1 . 25342 1 1038 . 1 1 86 86 VAL HG13 H 1 0.773 0.007 . 2 . . . A 86 VAL QG1 . 25342 1 1039 . 1 1 86 86 VAL HG21 H 1 0.350 0.007 . 2 . . . A 86 VAL QG2 . 25342 1 1040 . 1 1 86 86 VAL HG22 H 1 0.350 0.007 . 2 . . . A 86 VAL QG2 . 25342 1 1041 . 1 1 86 86 VAL HG23 H 1 0.350 0.007 . 2 . . . A 86 VAL QG2 . 25342 1 1042 . 1 1 86 86 VAL C C 13 172.692 0.164 . 1 . . . A 86 VAL C . 25342 1 1043 . 1 1 86 86 VAL CA C 13 59.812 0.164 . 1 . . . A 86 VAL CA . 25342 1 1044 . 1 1 86 86 VAL CB C 13 30.083 0.164 . 1 . . . A 86 VAL CB . 25342 1 1045 . 1 1 86 86 VAL CG1 C 13 18.657 0.164 . 2 . . . A 86 VAL CG1 . 25342 1 1046 . 1 1 86 86 VAL CG2 C 13 19.755 0.164 . 2 . . . A 86 VAL CG2 . 25342 1 1047 . 1 1 86 86 VAL N N 15 116.295 0.121 . 1 . . . A 86 VAL N . 25342 1 1048 . 1 1 87 87 TRP H H 1 9.555 0.007 . 1 . . . A 87 TRP H . 25342 1 1049 . 1 1 87 87 TRP HA H 1 4.311 0.007 . 1 . . . A 87 TRP HA . 25342 1 1050 . 1 1 87 87 TRP HB2 H 1 2.954 0.007 . 2 . . . A 87 TRP HB2 . 25342 1 1051 . 1 1 87 87 TRP HB3 H 1 2.725 0.007 . 2 . . . A 87 TRP HB3 . 25342 1 1052 . 1 1 87 87 TRP HD1 H 1 7.524 0.007 . 1 . . . A 87 TRP HD1 . 25342 1 1053 . 1 1 87 87 TRP HE1 H 1 9.232 0.007 . 1 . . . A 87 TRP HE1 . 25342 1 1054 . 1 1 87 87 TRP HE3 H 1 7.555 0.007 . 1 . . . A 87 TRP HE3 . 25342 1 1055 . 1 1 87 87 TRP HZ2 H 1 7.457 0.007 . 1 . . . A 87 TRP HZ2 . 25342 1 1056 . 1 1 87 87 TRP HZ3 H 1 6.489 0.007 . 1 . . . A 87 TRP HZ3 . 25342 1 1057 . 1 1 87 87 TRP C C 13 173.323 0.164 . 1 . . . A 87 TRP C . 25342 1 1058 . 1 1 87 87 TRP CA C 13 50.887 0.164 . 1 . . . A 87 TRP CA . 25342 1 1059 . 1 1 87 87 TRP CB C 13 27.310 0.164 . 1 . . . A 87 TRP CB . 25342 1 1060 . 1 1 87 87 TRP CD1 C 13 122.185 0.164 . 1 . . . A 87 TRP CD1 . 25342 1 1061 . 1 1 87 87 TRP CE3 C 13 115.424 0.164 . 1 . . . A 87 TRP CE3 . 25342 1 1062 . 1 1 87 87 TRP CZ2 C 13 109.852 0.164 . 1 . . . A 87 TRP CZ2 . 25342 1 1063 . 1 1 87 87 TRP CZ3 C 13 115.507 0.164 . 1 . . . A 87 TRP CZ3 . 25342 1 1064 . 1 1 87 87 TRP N N 15 131.042 0.121 . 1 . . . A 87 TRP N . 25342 1 1065 . 1 1 87 87 TRP NE1 N 15 128.150 0.121 . 1 . . . A 87 TRP NE1 . 25342 1 1066 . 1 1 88 88 SER H H 1 10.257 0.007 . 1 . . . A 88 SER H . 25342 1 1067 . 1 1 88 88 SER HA H 1 4.582 0.007 . 1 . . . A 88 SER HA . 25342 1 1068 . 1 1 88 88 SER HB2 H 1 4.239 0.007 . 2 . . . A 88 SER HB2 . 25342 1 1069 . 1 1 88 88 SER HB3 H 1 4.155 0.007 . 2 . . . A 88 SER HB3 . 25342 1 1070 . 1 1 88 88 SER C C 13 172.096 0.164 . 1 . . . A 88 SER C . 25342 1 1071 . 1 1 88 88 SER CA C 13 55.391 0.164 . 1 . . . A 88 SER CA . 25342 1 1072 . 1 1 88 88 SER CB C 13 57.813 0.164 . 1 . . . A 88 SER CB . 25342 1 1073 . 1 1 88 88 SER N N 15 122.660 0.121 . 1 . . . A 88 SER N . 25342 1 1074 . 1 1 89 89 GLY H H 1 6.372 0.007 . 1 . . . A 89 GLY H . 25342 1 1075 . 1 1 89 89 GLY HA2 H 1 4.330 0.007 . 2 . . . A 89 GLY HA2 . 25342 1 1076 . 1 1 89 89 GLY HA3 H 1 3.609 0.007 . 2 . . . A 89 GLY HA3 . 25342 1 1077 . 1 1 89 89 GLY CA C 13 42.629 0.164 . 1 . . . A 89 GLY CA . 25342 1 1078 . 1 1 89 89 GLY N N 15 128.381 0.121 . 1 . . . A 89 GLY N . 25342 1 1079 . 1 1 90 90 TYR H H 1 8.113 0.007 . 1 . . . A 90 TYR H . 25342 1 1080 . 1 1 90 90 TYR HA H 1 4.189 0.007 . 1 . . . A 90 TYR HA . 25342 1 1081 . 1 1 90 90 TYR HB2 H 1 2.856 0.007 . 2 . . . A 90 TYR HB2 . 25342 1 1082 . 1 1 90 90 TYR HB3 H 1 2.728 0.007 . 2 . . . A 90 TYR HB3 . 25342 1 1083 . 1 1 90 90 TYR HD1 H 1 6.502 0.007 . 1 . . . A 90 TYR QD . 25342 1 1084 . 1 1 90 90 TYR HD2 H 1 6.502 0.007 . 1 . . . A 90 TYR QD . 25342 1 1085 . 1 1 90 90 TYR CA C 13 53.549 0.164 . 1 . . . A 90 TYR CA . 25342 1 1086 . 1 1 90 90 TYR CB C 13 37.195 0.164 . 1 . . . A 90 TYR CB . 25342 1 1087 . 1 1 90 90 TYR CD1 C 13 127.967 0.164 . 3 . . . A 90 TYR CD1 . 25342 1 1088 . 1 1 90 90 TYR N N 15 120.345 0.121 . 1 . . . A 90 TYR N . 25342 1 1089 . 1 1 91 91 PRO HA H 1 4.834 0.007 . 1 . . . A 91 PRO HA . 25342 1 1090 . 1 1 91 91 PRO HB2 H 1 2.276 0.007 . 2 . . . A 91 PRO HB2 . 25342 1 1091 . 1 1 91 91 PRO HB3 H 1 1.805 0.007 . 2 . . . A 91 PRO HB3 . 25342 1 1092 . 1 1 91 91 PRO HG2 H 1 1.189 0.007 . 2 . . . A 91 PRO HG2 . 25342 1 1093 . 1 1 91 91 PRO HG3 H 1 0.855 0.007 . 2 . . . A 91 PRO HG3 . 25342 1 1094 . 1 1 91 91 PRO HD2 H 1 2.479 0.007 . 2 . . . A 91 PRO HD2 . 25342 1 1095 . 1 1 91 91 PRO HD3 H 1 1.980 0.007 . 2 . . . A 91 PRO HD3 . 25342 1 1096 . 1 1 91 91 PRO C C 13 170.911 0.164 . 1 . . . A 91 PRO C . 25342 1 1097 . 1 1 91 91 PRO CA C 13 58.835 0.164 . 1 . . . A 91 PRO CA . 25342 1 1098 . 1 1 91 91 PRO CB C 13 26.070 0.164 . 1 . . . A 91 PRO CB . 25342 1 1099 . 1 1 91 91 PRO CG C 13 25.351 0.164 . 1 . . . A 91 PRO CG . 25342 1 1100 . 1 1 91 91 PRO CD C 13 45.776 0.164 . 1 . . . A 91 PRO CD . 25342 1 1101 . 1 1 92 92 ALA H H 1 7.554 0.007 . 1 . . . A 92 ALA H . 25342 1 1102 . 1 1 92 92 ALA HA H 1 3.619 0.007 . 1 . . . A 92 ALA HA . 25342 1 1103 . 1 1 92 92 ALA HB1 H 1 -0.117 0.007 . 1 . . . A 92 ALA QB . 25342 1 1104 . 1 1 92 92 ALA HB2 H 1 -0.117 0.007 . 1 . . . A 92 ALA QB . 25342 1 1105 . 1 1 92 92 ALA HB3 H 1 -0.117 0.007 . 1 . . . A 92 ALA QB . 25342 1 1106 . 1 1 92 92 ALA C C 13 176.782 0.164 . 1 . . . A 92 ALA C . 25342 1 1107 . 1 1 92 92 ALA CA C 13 49.417 0.164 . 1 . . . A 92 ALA CA . 25342 1 1108 . 1 1 92 92 ALA CB C 13 15.516 0.164 . 1 . . . A 92 ALA CB . 25342 1 1109 . 1 1 92 92 ALA N N 15 120.629 0.121 . 1 . . . A 92 ALA N . 25342 1 1110 . 1 1 93 93 THR H H 1 6.730 0.007 . 1 . . . A 93 THR H . 25342 1 1111 . 1 1 93 93 THR HB H 1 4.188 0.007 . 1 . . . A 93 THR HB . 25342 1 1112 . 1 1 93 93 THR HG21 H 1 1.817 0.007 . 1 . . . A 93 THR QG2 . 25342 1 1113 . 1 1 93 93 THR HG22 H 1 1.817 0.007 . 1 . . . A 93 THR QG2 . 25342 1 1114 . 1 1 93 93 THR HG23 H 1 1.817 0.007 . 1 . . . A 93 THR QG2 . 25342 1 1115 . 1 1 93 93 THR CB C 13 64.173 0.164 . 1 . . . A 93 THR CB . 25342 1 1116 . 1 1 93 93 THR CG2 C 13 22.148 0.164 . 1 . . . A 93 THR CG2 . 25342 1 1117 . 1 1 93 93 THR N N 15 112.558 0.121 . 1 . . . A 93 THR N . 25342 1 1118 . 1 1 94 94 PRO HA H 1 3.859 0.007 . 1 . . . A 94 PRO HA . 25342 1 1119 . 1 1 94 94 PRO HB2 H 1 0.760 0.007 . 1 . . . A 94 PRO QB . 25342 1 1120 . 1 1 94 94 PRO HB3 H 1 0.760 0.007 . 1 . . . A 94 PRO QB . 25342 1 1121 . 1 1 94 94 PRO HG2 H 1 0.535 0.007 . 2 . . . A 94 PRO HG2 . 25342 1 1122 . 1 1 94 94 PRO HG3 H 1 1.222 0.007 . 2 . . . A 94 PRO HG3 . 25342 1 1123 . 1 1 94 94 PRO HD2 H 1 4.022 0.007 . 2 . . . A 94 PRO HD2 . 25342 1 1124 . 1 1 94 94 PRO HD3 H 1 2.428 0.007 . 2 . . . A 94 PRO HD3 . 25342 1 1125 . 1 1 94 94 PRO C C 13 173.309 0.164 . 1 . . . A 94 PRO C . 25342 1 1126 . 1 1 94 94 PRO CA C 13 63.063 0.164 . 1 . . . A 94 PRO CA . 25342 1 1127 . 1 1 94 94 PRO CB C 13 29.279 0.164 . 1 . . . A 94 PRO CB . 25342 1 1128 . 1 1 94 94 PRO CG C 13 26.224 0.164 . 1 . . . A 94 PRO CG . 25342 1 1129 . 1 1 94 94 PRO CD C 13 47.515 0.164 . 1 . . . A 94 PRO CD . 25342 1 1130 . 1 1 95 95 ILE H H 1 7.995 0.007 . 1 . . . A 95 ILE H . 25342 1 1131 . 1 1 95 95 ILE HA H 1 3.605 0.007 . 1 . . . A 95 ILE HA . 25342 1 1132 . 1 1 95 95 ILE HB H 1 2.666 0.007 . 1 . . . A 95 ILE HB . 25342 1 1133 . 1 1 95 95 ILE HG12 H 1 1.700 0.007 . 2 . . . A 95 ILE HG12 . 25342 1 1134 . 1 1 95 95 ILE HG13 H 1 1.365 0.007 . 2 . . . A 95 ILE HG13 . 25342 1 1135 . 1 1 95 95 ILE HG21 H 1 1.004 0.007 . 1 . . . A 95 ILE QG2 . 25342 1 1136 . 1 1 95 95 ILE HG22 H 1 1.004 0.007 . 1 . . . A 95 ILE QG2 . 25342 1 1137 . 1 1 95 95 ILE HG23 H 1 1.004 0.007 . 1 . . . A 95 ILE QG2 . 25342 1 1138 . 1 1 95 95 ILE HD11 H 1 0.634 0.007 . 1 . . . A 95 ILE QD1 . 25342 1 1139 . 1 1 95 95 ILE HD12 H 1 0.634 0.007 . 1 . . . A 95 ILE QD1 . 25342 1 1140 . 1 1 95 95 ILE HD13 H 1 0.634 0.007 . 1 . . . A 95 ILE QD1 . 25342 1 1141 . 1 1 95 95 ILE C C 13 174.302 0.164 . 1 . . . A 95 ILE C . 25342 1 1142 . 1 1 95 95 ILE CA C 13 57.181 0.164 . 1 . . . A 95 ILE CA . 25342 1 1143 . 1 1 95 95 ILE CB C 13 31.783 0.164 . 1 . . . A 95 ILE CB . 25342 1 1144 . 1 1 95 95 ILE CG1 C 13 25.752 0.164 . 1 . . . A 95 ILE CG1 . 25342 1 1145 . 1 1 95 95 ILE CG2 C 13 16.262 0.164 . 1 . . . A 95 ILE CG2 . 25342 1 1146 . 1 1 95 95 ILE CD1 C 13 5.490 0.164 . 1 . . . A 95 ILE CD1 . 25342 1 1147 . 1 1 95 95 ILE N N 15 111.014 0.121 . 1 . . . A 95 ILE N . 25342 1 1148 . 1 1 96 96 LYS H H 1 6.928 0.007 . 1 . . . A 96 LYS H . 25342 1 1149 . 1 1 96 96 LYS HA H 1 3.092 0.007 . 1 . . . A 96 LYS HA . 25342 1 1150 . 1 1 96 96 LYS HB2 H 1 0.778 0.007 . 2 . . . A 96 LYS HB2 . 25342 1 1151 . 1 1 96 96 LYS HB3 H 1 -0.720 0.007 . 2 . . . A 96 LYS HB3 . 25342 1 1152 . 1 1 96 96 LYS HG2 H 1 -0.713 0.007 . 2 . . . A 96 LYS HG2 . 25342 1 1153 . 1 1 96 96 LYS HG3 H 1 -0.443 0.007 . 2 . . . A 96 LYS HG3 . 25342 1 1154 . 1 1 96 96 LYS HD2 H 1 -0.050 0.007 . 2 . . . A 96 LYS HD2 . 25342 1 1155 . 1 1 96 96 LYS HD3 H 1 -0.361 0.007 . 2 . . . A 96 LYS HD3 . 25342 1 1156 . 1 1 96 96 LYS HE2 H 1 2.005 0.007 . 2 . . . A 96 LYS HE2 . 25342 1 1157 . 1 1 96 96 LYS HE3 H 1 1.870 0.007 . 2 . . . A 96 LYS HE3 . 25342 1 1158 . 1 1 96 96 LYS C C 13 174.451 0.164 . 1 . . . A 96 LYS C . 25342 1 1159 . 1 1 96 96 LYS CA C 13 57.041 0.164 . 1 . . . A 96 LYS CA . 25342 1 1160 . 1 1 96 96 LYS CB C 13 28.747 0.164 . 1 . . . A 96 LYS CB . 25342 1 1161 . 1 1 96 96 LYS CG C 13 20.659 0.164 . 1 . . . A 96 LYS CG . 25342 1 1162 . 1 1 96 96 LYS CD C 13 24.274 0.164 . 1 . . . A 96 LYS CD . 25342 1 1163 . 1 1 96 96 LYS CE C 13 39.392 0.164 . 1 . . . A 96 LYS CE . 25342 1 1164 . 1 1 96 96 LYS N N 15 123.208 0.121 . 1 . . . A 96 LYS N . 25342 1 1165 . 1 1 97 97 THR H H 1 6.325 0.007 . 1 . . . A 97 THR H . 25342 1 1166 . 1 1 97 97 THR HA H 1 3.436 0.007 . 1 . . . A 97 THR HA . 25342 1 1167 . 1 1 97 97 THR HB H 1 3.992 0.007 . 1 . . . A 97 THR HB . 25342 1 1168 . 1 1 97 97 THR HG21 H 1 1.198 0.007 . 1 . . . A 97 THR QG2 . 25342 1 1169 . 1 1 97 97 THR HG22 H 1 1.198 0.007 . 1 . . . A 97 THR QG2 . 25342 1 1170 . 1 1 97 97 THR HG23 H 1 1.198 0.007 . 1 . . . A 97 THR QG2 . 25342 1 1171 . 1 1 97 97 THR C C 13 173.221 0.164 . 1 . . . A 97 THR C . 25342 1 1172 . 1 1 97 97 THR CA C 13 62.710 0.164 . 1 . . . A 97 THR CA . 25342 1 1173 . 1 1 97 97 THR CB C 13 65.562 0.164 . 1 . . . A 97 THR CB . 25342 1 1174 . 1 1 97 97 THR CG2 C 13 20.606 0.164 . 1 . . . A 97 THR CG2 . 25342 1 1175 . 1 1 97 97 THR N N 15 113.320 0.121 . 1 . . . A 97 THR N . 25342 1 1176 . 1 1 98 98 LEU H H 1 7.536 0.007 . 1 . . . A 98 LEU H . 25342 1 1177 . 1 1 98 98 LEU HA H 1 3.625 0.007 . 1 . . . A 98 LEU HA . 25342 1 1178 . 1 1 98 98 LEU HB2 H 1 1.079 0.007 . 2 . . . A 98 LEU HB2 . 25342 1 1179 . 1 1 98 98 LEU HB3 H 1 1.889 0.007 . 2 . . . A 98 LEU HB3 . 25342 1 1180 . 1 1 98 98 LEU HG H 1 1.276 0.007 . 1 . . . A 98 LEU HG . 25342 1 1181 . 1 1 98 98 LEU HD11 H 1 0.696 0.007 . 1 . . . A 98 LEU QQD . 25342 1 1182 . 1 1 98 98 LEU HD12 H 1 0.696 0.007 . 1 . . . A 98 LEU QQD . 25342 1 1183 . 1 1 98 98 LEU HD13 H 1 0.696 0.007 . 1 . . . A 98 LEU QQD . 25342 1 1184 . 1 1 98 98 LEU HD21 H 1 0.696 0.007 . 1 . . . A 98 LEU QQD . 25342 1 1185 . 1 1 98 98 LEU HD22 H 1 0.696 0.007 . 1 . . . A 98 LEU QQD . 25342 1 1186 . 1 1 98 98 LEU HD23 H 1 0.696 0.007 . 1 . . . A 98 LEU QQD . 25342 1 1187 . 1 1 98 98 LEU C C 13 174.713 0.164 . 1 . . . A 98 LEU C . 25342 1 1188 . 1 1 98 98 LEU CA C 13 55.514 0.164 . 1 . . . A 98 LEU CA . 25342 1 1189 . 1 1 98 98 LEU CB C 13 39.728 0.164 . 1 . . . A 98 LEU CB . 25342 1 1190 . 1 1 98 98 LEU CG C 13 24.400 0.164 . 1 . . . A 98 LEU CG . 25342 1 1191 . 1 1 98 98 LEU CD2 C 13 20.573 0.164 . 2 . . . A 98 LEU CD2 . 25342 1 1192 . 1 1 98 98 LEU N N 15 120.963 0.121 . 1 . . . A 98 LEU N . 25342 1 1193 . 1 1 99 99 LEU H H 1 8.179 0.007 . 1 . . . A 99 LEU H . 25342 1 1194 . 1 1 99 99 LEU HA H 1 3.672 0.007 . 1 . . . A 99 LEU HA . 25342 1 1195 . 1 1 99 99 LEU HB2 H 1 0.937 0.007 . 2 . . . A 99 LEU HB2 . 25342 1 1196 . 1 1 99 99 LEU HB3 H 1 1.646 0.007 . 2 . . . A 99 LEU HB3 . 25342 1 1197 . 1 1 99 99 LEU HG H 1 1.588 0.007 . 1 . . . A 99 LEU HG . 25342 1 1198 . 1 1 99 99 LEU HD11 H 1 0.339 0.007 . 2 . . . A 99 LEU QD1 . 25342 1 1199 . 1 1 99 99 LEU HD12 H 1 0.339 0.007 . 2 . . . A 99 LEU QD1 . 25342 1 1200 . 1 1 99 99 LEU HD13 H 1 0.339 0.007 . 2 . . . A 99 LEU QD1 . 25342 1 1201 . 1 1 99 99 LEU HD21 H 1 0.545 0.007 . 2 . . . A 99 LEU QD2 . 25342 1 1202 . 1 1 99 99 LEU HD22 H 1 0.545 0.007 . 2 . . . A 99 LEU QD2 . 25342 1 1203 . 1 1 99 99 LEU HD23 H 1 0.545 0.007 . 2 . . . A 99 LEU QD2 . 25342 1 1204 . 1 1 99 99 LEU C C 13 177.458 0.164 . 1 . . . A 99 LEU C . 25342 1 1205 . 1 1 99 99 LEU CA C 13 55.145 0.164 . 1 . . . A 99 LEU CA . 25342 1 1206 . 1 1 99 99 LEU CB C 13 38.857 0.164 . 1 . . . A 99 LEU CB . 25342 1 1207 . 1 1 99 99 LEU CG C 13 24.748 0.164 . 1 . . . A 99 LEU CG . 25342 1 1208 . 1 1 99 99 LEU CD1 C 13 24.797 0.164 . 2 . . . A 99 LEU CD1 . 25342 1 1209 . 1 1 99 99 LEU CD2 C 13 20.384 0.164 . 2 . . . A 99 LEU CD2 . 25342 1 1210 . 1 1 99 99 LEU N N 15 118.859 0.121 . 1 . . . A 99 LEU N . 25342 1 1211 . 1 1 100 100 ASP H H 1 7.867 0.007 . 1 . . . A 100 ASP H . 25342 1 1212 . 1 1 100 100 ASP HA H 1 4.221 0.007 . 1 . . . A 100 ASP HA . 25342 1 1213 . 1 1 100 100 ASP HB2 H 1 2.694 0.007 . 2 . . . A 100 ASP HB2 . 25342 1 1214 . 1 1 100 100 ASP HB3 H 1 2.461 0.007 . 2 . . . A 100 ASP HB3 . 25342 1 1215 . 1 1 100 100 ASP C C 13 176.472 0.164 . 1 . . . A 100 ASP C . 25342 1 1216 . 1 1 100 100 ASP CA C 13 54.307 0.164 . 1 . . . A 100 ASP CA . 25342 1 1217 . 1 1 100 100 ASP CB C 13 37.358 0.164 . 1 . . . A 100 ASP CB . 25342 1 1218 . 1 1 100 100 ASP N N 15 118.703 0.121 . 1 . . . A 100 ASP N . 25342 1 1219 . 1 1 101 101 GLN H H 1 7.597 0.007 . 1 . . . A 101 GLN H . 25342 1 1220 . 1 1 101 101 GLN HA H 1 4.200 0.007 . 1 . . . A 101 GLN HA . 25342 1 1221 . 1 1 101 101 GLN HB2 H 1 2.304 0.007 . 2 . . . A 101 GLN HB2 . 25342 1 1222 . 1 1 101 101 GLN HB3 H 1 2.211 0.007 . 2 . . . A 101 GLN HB3 . 25342 1 1223 . 1 1 101 101 GLN HG2 H 1 2.466 0.007 . 2 . . . A 101 GLN HG2 . 25342 1 1224 . 1 1 101 101 GLN HG3 H 1 2.625 0.007 . 2 . . . A 101 GLN HG3 . 25342 1 1225 . 1 1 101 101 GLN HE21 H 1 6.668 0.007 . 2 . . . A 101 GLN HE21 . 25342 1 1226 . 1 1 101 101 GLN HE22 H 1 7.315 0.007 . 2 . . . A 101 GLN HE22 . 25342 1 1227 . 1 1 101 101 GLN C C 13 174.508 0.164 . 1 . . . A 101 GLN C . 25342 1 1228 . 1 1 101 101 GLN CA C 13 54.688 0.164 . 1 . . . A 101 GLN CA . 25342 1 1229 . 1 1 101 101 GLN CB C 13 25.597 0.164 . 1 . . . A 101 GLN CB . 25342 1 1230 . 1 1 101 101 GLN CG C 13 31.544 0.164 . 1 . . . A 101 GLN CG . 25342 1 1231 . 1 1 101 101 GLN N N 15 117.829 0.121 . 1 . . . A 101 GLN N . 25342 1 1232 . 1 1 101 101 GLN NE2 N 15 110.030 0.121 . 1 . . . A 101 GLN NE2 . 25342 1 1233 . 1 1 102 102 MET H H 1 7.434 0.007 . 1 . . . A 102 MET H . 25342 1 1234 . 1 1 102 102 MET HA H 1 3.864 0.007 . 1 . . . A 102 MET HA . 25342 1 1235 . 1 1 102 102 MET HB2 H 1 1.597 0.007 . 2 . . . A 102 MET HB2 . 25342 1 1236 . 1 1 102 102 MET HB3 H 1 1.937 0.007 . 2 . . . A 102 MET HB3 . 25342 1 1237 . 1 1 102 102 MET HG2 H 1 1.867 0.007 . 2 . . . A 102 MET HG2 . 25342 1 1238 . 1 1 102 102 MET HG3 H 1 1.101 0.007 . 2 . . . A 102 MET HG3 . 25342 1 1239 . 1 1 102 102 MET HE1 H 1 1.327 0.007 . 1 . . . A 102 MET QE . 25342 1 1240 . 1 1 102 102 MET HE2 H 1 1.327 0.007 . 1 . . . A 102 MET QE . 25342 1 1241 . 1 1 102 102 MET HE3 H 1 1.327 0.007 . 1 . . . A 102 MET QE . 25342 1 1242 . 1 1 102 102 MET C C 13 172.820 0.164 . 1 . . . A 102 MET C . 25342 1 1243 . 1 1 102 102 MET CA C 13 53.298 0.164 . 1 . . . A 102 MET CA . 25342 1 1244 . 1 1 102 102 MET CB C 13 31.207 0.164 . 1 . . . A 102 MET CB . 25342 1 1245 . 1 1 102 102 MET CG C 13 28.251 0.164 . 1 . . . A 102 MET CG . 25342 1 1246 . 1 1 102 102 MET CE C 13 13.650 0.164 . 1 . . . A 102 MET CE . 25342 1 1247 . 1 1 102 102 MET N N 15 118.406 0.121 . 1 . . . A 102 MET N . 25342 1 1248 . 1 1 103 103 LYS H H 1 6.881 0.007 . 1 . . . A 103 LYS H . 25342 1 1249 . 1 1 103 103 LYS HA H 1 3.919 0.007 . 1 . . . A 103 LYS HA . 25342 1 1250 . 1 1 103 103 LYS HB2 H 1 1.825 0.007 . 2 . . . A 103 LYS HB2 . 25342 1 1251 . 1 1 103 103 LYS HB3 H 1 1.780 0.007 . 2 . . . A 103 LYS HB3 . 25342 1 1252 . 1 1 103 103 LYS HG2 H 1 1.575 0.007 . 2 . . . A 103 LYS HG2 . 25342 1 1253 . 1 1 103 103 LYS HG3 H 1 1.467 0.007 . 2 . . . A 103 LYS HG3 . 25342 1 1254 . 1 1 103 103 LYS HD2 H 1 1.582 0.007 . 1 . . . A 103 LYS QD . 25342 1 1255 . 1 1 103 103 LYS HD3 H 1 1.582 0.007 . 1 . . . A 103 LYS QD . 25342 1 1256 . 1 1 103 103 LYS HE2 H 1 2.922 0.007 . 2 . . . A 103 LYS HE2 . 25342 1 1257 . 1 1 103 103 LYS HE3 H 1 2.888 0.007 . 2 . . . A 103 LYS HE3 . 25342 1 1258 . 1 1 103 103 LYS C C 13 173.938 0.164 . 1 . . . A 103 LYS C . 25342 1 1259 . 1 1 103 103 LYS CA C 13 56.437 0.164 . 1 . . . A 103 LYS CA . 25342 1 1260 . 1 1 103 103 LYS CB C 13 29.263 0.164 . 1 . . . A 103 LYS CB . 25342 1 1261 . 1 1 103 103 LYS CG C 13 22.183 0.164 . 1 . . . A 103 LYS CG . 25342 1 1262 . 1 1 103 103 LYS CD C 13 25.640 0.164 . 1 . . . A 103 LYS CD . 25342 1 1263 . 1 1 103 103 LYS CE C 13 39.421 0.164 . 1 . . . A 103 LYS CE . 25342 1 1264 . 1 1 103 103 LYS N N 15 115.889 0.121 . 1 . . . A 103 LYS N . 25342 1 1265 . 1 1 104 104 ASN H H 1 8.493 0.007 . 1 . . . A 104 ASN H . 25342 1 1266 . 1 1 104 104 ASN HA H 1 4.731 0.007 . 1 . . . A 104 ASN HA . 25342 1 1267 . 1 1 104 104 ASN HB2 H 1 2.890 0.007 . 2 . . . A 104 ASN HB2 . 25342 1 1268 . 1 1 104 104 ASN HB3 H 1 2.749 0.007 . 2 . . . A 104 ASN HB3 . 25342 1 1269 . 1 1 104 104 ASN HD21 H 1 6.889 0.007 . 2 . . . A 104 ASN HD21 . 25342 1 1270 . 1 1 104 104 ASN HD22 H 1 7.528 0.007 . 2 . . . A 104 ASN HD22 . 25342 1 1271 . 1 1 104 104 ASN C C 13 172.617 0.164 . 1 . . . A 104 ASN C . 25342 1 1272 . 1 1 104 104 ASN CA C 13 50.266 0.164 . 1 . . . A 104 ASN CA . 25342 1 1273 . 1 1 104 104 ASN CB C 13 35.783 0.164 . 1 . . . A 104 ASN CB . 25342 1 1274 . 1 1 104 104 ASN N N 15 114.951 0.121 . 1 . . . A 104 ASN N . 25342 1 1275 . 1 1 104 104 ASN ND2 N 15 113.151 0.121 . 1 . . . A 104 ASN ND2 . 25342 1 1276 . 1 1 105 105 TYR H H 1 8.217 0.007 . 1 . . . A 105 TYR H . 25342 1 1277 . 1 1 105 105 TYR HA H 1 4.562 0.007 . 1 . . . A 105 TYR HA . 25342 1 1278 . 1 1 105 105 TYR HB2 H 1 3.001 0.007 . 2 . . . A 105 TYR HB2 . 25342 1 1279 . 1 1 105 105 TYR HB3 H 1 2.736 0.007 . 2 . . . A 105 TYR HB3 . 25342 1 1280 . 1 1 105 105 TYR HD1 H 1 6.444 0.007 . 1 . . . A 105 TYR QD . 25342 1 1281 . 1 1 105 105 TYR HD2 H 1 6.444 0.007 . 1 . . . A 105 TYR QD . 25342 1 1282 . 1 1 105 105 TYR CA C 13 55.433 0.164 . 1 . . . A 105 TYR CA . 25342 1 1283 . 1 1 105 105 TYR CB C 13 35.832 0.164 . 1 . . . A 105 TYR CB . 25342 1 1284 . 1 1 105 105 TYR CD2 C 13 128.011 0.164 . 3 . . . A 105 TYR CD2 . 25342 1 1285 . 1 1 105 105 TYR N N 15 122.680 0.121 . 1 . . . A 105 TYR N . 25342 1 1286 . 1 1 106 106 ARG H H 1 8.801 0.007 . 1 . . . A 106 ARG H . 25342 1 1287 . 1 1 106 106 ARG HA H 1 4.265 0.007 . 1 . . . A 106 ARG HA . 25342 1 1288 . 1 1 106 106 ARG HB2 H 1 1.532 0.007 . 2 . . . A 106 ARG HB2 . 25342 1 1289 . 1 1 106 106 ARG HB3 H 1 1.914 0.007 . 2 . . . A 106 ARG HB3 . 25342 1 1290 . 1 1 106 106 ARG HG2 H 1 1.497 0.007 . 2 . . . A 106 ARG HG2 . 25342 1 1291 . 1 1 106 106 ARG HG3 H 1 1.612 0.007 . 2 . . . A 106 ARG HG3 . 25342 1 1292 . 1 1 106 106 ARG HD2 H 1 3.125 0.007 . 2 . . . A 106 ARG HD2 . 25342 1 1293 . 1 1 106 106 ARG HD3 H 1 3.058 0.007 . 2 . . . A 106 ARG HD3 . 25342 1 1294 . 1 1 106 106 ARG CA C 13 52.982 0.164 . 1 . . . A 106 ARG CA . 25342 1 1295 . 1 1 106 106 ARG CB C 13 28.130 0.164 . 1 . . . A 106 ARG CB . 25342 1 1296 . 1 1 106 106 ARG CG C 13 24.349 0.164 . 1 . . . A 106 ARG CG . 25342 1 1297 . 1 1 106 106 ARG CD C 13 40.428 0.164 . 1 . . . A 106 ARG CD . 25342 1 1298 . 1 1 106 106 ARG N N 15 128.872 0.121 . 1 . . . A 106 ARG N . 25342 1 1299 . 1 1 107 107 GLY HA2 H 1 4.262 0.007 . 2 . . . A 107 GLY HA2 . 25342 1 1300 . 1 1 107 107 GLY HA3 H 1 3.460 0.007 . 2 . . . A 107 GLY HA3 . 25342 1 1301 . 1 1 107 107 GLY CA C 13 42.401 0.164 . 1 . . . A 107 GLY CA . 25342 1 1302 . 1 1 108 108 GLU H H 1 7.514 0.007 . 1 . . . A 108 GLU H . 25342 1 1303 . 1 1 108 108 GLU HA H 1 4.626 0.007 . 1 . . . A 108 GLU HA . 25342 1 1304 . 1 1 108 108 GLU HB2 H 1 2.334 0.007 . 2 . . . A 108 GLU HB2 . 25342 1 1305 . 1 1 108 108 GLU HB3 H 1 1.673 0.007 . 2 . . . A 108 GLU HB3 . 25342 1 1306 . 1 1 108 108 GLU HG2 H 1 2.457 0.007 . 2 . . . A 108 GLU HG2 . 25342 1 1307 . 1 1 108 108 GLU HG3 H 1 2.078 0.007 . 2 . . . A 108 GLU HG3 . 25342 1 1308 . 1 1 108 108 GLU C C 13 174.125 0.164 . 1 . . . A 108 GLU C . 25342 1 1309 . 1 1 108 108 GLU CA C 13 53.788 0.164 . 1 . . . A 108 GLU CA . 25342 1 1310 . 1 1 108 108 GLU CB C 13 30.440 0.164 . 1 . . . A 108 GLU CB . 25342 1 1311 . 1 1 108 108 GLU CG C 13 34.366 0.164 . 1 . . . A 108 GLU CG . 25342 1 1312 . 1 1 108 108 GLU N N 15 117.000 0.121 . 1 . . . A 108 GLU N . 25342 1 1313 . 1 1 109 109 VAL H H 1 8.942 0.007 . 1 . . . A 109 VAL H . 25342 1 1314 . 1 1 109 109 VAL HA H 1 5.337 0.007 . 1 . . . A 109 VAL HA . 25342 1 1315 . 1 1 109 109 VAL HB H 1 1.714 0.007 . 1 . . . A 109 VAL HB . 25342 1 1316 . 1 1 109 109 VAL HG11 H 1 0.846 0.007 . 2 . . . A 109 VAL QG1 . 25342 1 1317 . 1 1 109 109 VAL HG12 H 1 0.846 0.007 . 2 . . . A 109 VAL QG1 . 25342 1 1318 . 1 1 109 109 VAL HG13 H 1 0.846 0.007 . 2 . . . A 109 VAL QG1 . 25342 1 1319 . 1 1 109 109 VAL HG21 H 1 1.017 0.007 . 2 . . . A 109 VAL QG2 . 25342 1 1320 . 1 1 109 109 VAL HG22 H 1 1.017 0.007 . 2 . . . A 109 VAL QG2 . 25342 1 1321 . 1 1 109 109 VAL HG23 H 1 1.017 0.007 . 2 . . . A 109 VAL QG2 . 25342 1 1322 . 1 1 109 109 VAL C C 13 170.606 0.164 . 1 . . . A 109 VAL C . 25342 1 1323 . 1 1 109 109 VAL CA C 13 57.280 0.164 . 1 . . . A 109 VAL CA . 25342 1 1324 . 1 1 109 109 VAL CB C 13 32.657 0.164 . 1 . . . A 109 VAL CB . 25342 1 1325 . 1 1 109 109 VAL CG1 C 13 19.148 0.164 . 2 . . . A 109 VAL CG1 . 25342 1 1326 . 1 1 109 109 VAL CG2 C 13 20.922 0.164 . 2 . . . A 109 VAL CG2 . 25342 1 1327 . 1 1 109 109 VAL N N 15 123.398 0.121 . 1 . . . A 109 VAL N . 25342 1 1328 . 1 1 110 110 ALA H H 1 8.776 0.007 . 1 . . . A 110 ALA H . 25342 1 1329 . 1 1 110 110 ALA HA H 1 4.627 0.007 . 1 . . . A 110 ALA HA . 25342 1 1330 . 1 1 110 110 ALA HB1 H 1 -0.439 0.007 . 1 . . . A 110 ALA QB . 25342 1 1331 . 1 1 110 110 ALA HB2 H 1 -0.439 0.007 . 1 . . . A 110 ALA QB . 25342 1 1332 . 1 1 110 110 ALA HB3 H 1 -0.439 0.007 . 1 . . . A 110 ALA QB . 25342 1 1333 . 1 1 110 110 ALA C C 13 173.195 0.164 . 1 . . . A 110 ALA C . 25342 1 1334 . 1 1 110 110 ALA CA C 13 47.346 0.164 . 1 . . . A 110 ALA CA . 25342 1 1335 . 1 1 110 110 ALA CB C 13 18.325 0.164 . 1 . . . A 110 ALA CB . 25342 1 1336 . 1 1 110 110 ALA N N 15 127.905 0.121 . 1 . . . A 110 ALA N . 25342 1 1337 . 1 1 111 111 SER H H 1 7.480 0.007 . 1 . . . A 111 SER H . 25342 1 1338 . 1 1 111 111 SER HA H 1 5.562 0.007 . 1 . . . A 111 SER HA . 25342 1 1339 . 1 1 111 111 SER HB2 H 1 2.578 0.007 . 2 . . . A 111 SER HB2 . 25342 1 1340 . 1 1 111 111 SER HB3 H 1 2.292 0.007 . 2 . . . A 111 SER HB3 . 25342 1 1341 . 1 1 111 111 SER C C 13 170.719 0.164 . 1 . . . A 111 SER C . 25342 1 1342 . 1 1 111 111 SER CA C 13 51.314 0.164 . 1 . . . A 111 SER CA . 25342 1 1343 . 1 1 111 111 SER CB C 13 61.907 0.164 . 1 . . . A 111 SER CB . 25342 1 1344 . 1 1 111 111 SER N N 15 110.523 0.121 . 1 . . . A 111 SER N . 25342 1 1345 . 1 1 112 112 PHE H H 1 7.848 0.007 . 1 . . . A 112 PHE H . 25342 1 1346 . 1 1 112 112 PHE HA H 1 6.356 0.007 . 1 . . . A 112 PHE HA . 25342 1 1347 . 1 1 112 112 PHE HB2 H 1 3.602 0.007 . 2 . . . A 112 PHE HB2 . 25342 1 1348 . 1 1 112 112 PHE HB3 H 1 2.671 0.007 . 2 . . . A 112 PHE HB3 . 25342 1 1349 . 1 1 112 112 PHE HE1 H 1 7.608 0.007 . 1 . . . A 112 PHE QE . 25342 1 1350 . 1 1 112 112 PHE HE2 H 1 7.608 0.007 . 1 . . . A 112 PHE QE . 25342 1 1351 . 1 1 112 112 PHE C C 13 169.536 0.164 . 1 . . . A 112 PHE C . 25342 1 1352 . 1 1 112 112 PHE CA C 13 50.371 0.164 . 1 . . . A 112 PHE CA . 25342 1 1353 . 1 1 112 112 PHE CB C 13 39.788 0.164 . 1 . . . A 112 PHE CB . 25342 1 1354 . 1 1 112 112 PHE CE1 C 13 133.006 0.164 . 3 . . . A 112 PHE CE1 . 25342 1 1355 . 1 1 112 112 PHE N N 15 125.567 0.121 . 1 . . . A 112 PHE N . 25342 1 1356 . 1 1 113 113 PHE H H 1 7.361 0.007 . 1 . . . A 113 PHE H . 25342 1 1357 . 1 1 113 113 PHE HA H 1 6.104 0.007 . 1 . . . A 113 PHE HA . 25342 1 1358 . 1 1 113 113 PHE HB2 H 1 2.242 0.007 . 2 . . . A 113 PHE HB2 . 25342 1 1359 . 1 1 113 113 PHE HB3 H 1 1.712 0.007 . 2 . . . A 113 PHE HB3 . 25342 1 1360 . 1 1 113 113 PHE HD1 H 1 5.990 0.007 . 1 . . . A 113 PHE QD . 25342 1 1361 . 1 1 113 113 PHE HD2 H 1 5.990 0.007 . 1 . . . A 113 PHE QD . 25342 1 1362 . 1 1 113 113 PHE C C 13 173.006 0.164 . 1 . . . A 113 PHE C . 25342 1 1363 . 1 1 113 113 PHE CA C 13 50.262 0.164 . 1 . . . A 113 PHE CA . 25342 1 1364 . 1 1 113 113 PHE CB C 13 38.749 0.164 . 1 . . . A 113 PHE CB . 25342 1 1365 . 1 1 113 113 PHE CD2 C 13 127.921 0.164 . 3 . . . A 113 PHE CD2 . 25342 1 1366 . 1 1 113 113 PHE N N 15 115.065 0.121 . 1 . . . A 113 PHE N . 25342 1 1367 . 1 1 114 114 THR H H 1 7.867 0.007 . 1 . . . A 114 THR H . 25342 1 1368 . 1 1 114 114 THR HA H 1 4.999 0.007 . 1 . . . A 114 THR HA . 25342 1 1369 . 1 1 114 114 THR HB H 1 4.322 0.007 . 1 . . . A 114 THR HB . 25342 1 1370 . 1 1 114 114 THR HG21 H 1 1.206 0.007 . 1 . . . A 114 THR QG2 . 25342 1 1371 . 1 1 114 114 THR HG22 H 1 1.206 0.007 . 1 . . . A 114 THR QG2 . 25342 1 1372 . 1 1 114 114 THR HG23 H 1 1.206 0.007 . 1 . . . A 114 THR QG2 . 25342 1 1373 . 1 1 114 114 THR C C 13 169.874 0.164 . 1 . . . A 114 THR C . 25342 1 1374 . 1 1 114 114 THR CA C 13 56.500 0.164 . 1 . . . A 114 THR CA . 25342 1 1375 . 1 1 114 114 THR CB C 13 68.809 0.164 . 1 . . . A 114 THR CB . 25342 1 1376 . 1 1 114 114 THR CG2 C 13 18.450 0.164 . 1 . . . A 114 THR CG2 . 25342 1 1377 . 1 1 114 114 THR N N 15 108.014 0.121 . 1 . . . A 114 THR N . 25342 1 1378 . 1 1 115 115 SER H H 1 8.970 0.007 . 1 . . . A 115 SER H . 25342 1 1379 . 1 1 115 115 SER HA H 1 5.613 0.007 . 1 . . . A 115 SER HA . 25342 1 1380 . 1 1 115 115 SER HB2 H 1 3.830 0.007 . 2 . . . A 115 SER HB2 . 25342 1 1381 . 1 1 115 115 SER HB3 H 1 4.274 0.007 . 2 . . . A 115 SER HB3 . 25342 1 1382 . 1 1 115 115 SER C C 13 171.247 0.164 . 1 . . . A 115 SER C . 25342 1 1383 . 1 1 115 115 SER CA C 13 54.830 0.164 . 1 . . . A 115 SER CA . 25342 1 1384 . 1 1 115 115 SER CB C 13 63.992 0.164 . 1 . . . A 115 SER CB . 25342 1 1385 . 1 1 115 115 SER N N 15 115.049 0.121 . 1 . . . A 115 SER N . 25342 1 1386 . 1 1 116 116 ALA H H 1 8.963 0.007 . 1 . . . A 116 ALA H . 25342 1 1387 . 1 1 116 116 ALA HA H 1 4.985 0.007 . 1 . . . A 116 ALA HA . 25342 1 1388 . 1 1 116 116 ALA HB1 H 1 1.767 0.007 . 1 . . . A 116 ALA QB . 25342 1 1389 . 1 1 116 116 ALA HB2 H 1 1.767 0.007 . 1 . . . A 116 ALA QB . 25342 1 1390 . 1 1 116 116 ALA HB3 H 1 1.767 0.007 . 1 . . . A 116 ALA QB . 25342 1 1391 . 1 1 116 116 ALA C C 13 176.180 0.164 . 1 . . . A 116 ALA C . 25342 1 1392 . 1 1 116 116 ALA CA C 13 49.200 0.164 . 1 . . . A 116 ALA CA . 25342 1 1393 . 1 1 116 116 ALA CB C 13 15.995 0.164 . 1 . . . A 116 ALA CB . 25342 1 1394 . 1 1 116 116 ALA N N 15 122.671 0.121 . 1 . . . A 116 ALA N . 25342 1 1395 . 1 1 117 117 GLY H H 1 9.340 0.007 . 1 . . . A 117 GLY H . 25342 1 1396 . 1 1 117 117 GLY HA2 H 1 3.646 0.007 . 2 . . . A 117 GLY HA2 . 25342 1 1397 . 1 1 117 117 GLY HA3 H 1 4.431 0.007 . 2 . . . A 117 GLY HA3 . 25342 1 1398 . 1 1 117 117 GLY C C 13 172.528 0.164 . 1 . . . A 117 GLY C . 25342 1 1399 . 1 1 117 117 GLY CA C 13 43.732 0.164 . 1 . . . A 117 GLY CA . 25342 1 1400 . 1 1 117 117 GLY N N 15 107.387 0.121 . 1 . . . A 117 GLY N . 25342 1 1401 . 1 1 118 118 THR H H 1 9.373 0.007 . 1 . . . A 118 THR H . 25342 1 1402 . 1 1 118 118 THR HA H 1 4.651 0.007 . 1 . . . A 118 THR HA . 25342 1 1403 . 1 1 118 118 THR HB H 1 4.137 0.007 . 1 . . . A 118 THR HB . 25342 1 1404 . 1 1 118 118 THR HG21 H 1 1.026 0.007 . 1 . . . A 118 THR QG2 . 25342 1 1405 . 1 1 118 118 THR HG22 H 1 1.026 0.007 . 1 . . . A 118 THR QG2 . 25342 1 1406 . 1 1 118 118 THR HG23 H 1 1.026 0.007 . 1 . . . A 118 THR QG2 . 25342 1 1407 . 1 1 118 118 THR C C 13 172.067 0.164 . 1 . . . A 118 THR C . 25342 1 1408 . 1 1 118 118 THR CA C 13 57.357 0.164 . 1 . . . A 118 THR CA . 25342 1 1409 . 1 1 118 118 THR CB C 13 69.475 0.164 . 1 . . . A 118 THR CB . 25342 1 1410 . 1 1 118 118 THR CG2 C 13 19.080 0.164 . 1 . . . A 118 THR CG2 . 25342 1 1411 . 1 1 118 118 THR N N 15 113.481 0.121 . 1 . . . A 118 THR N . 25342 1 1412 . 1 1 119 119 ASN H H 1 8.908 0.007 . 1 . . . A 119 ASN H . 25342 1 1413 . 1 1 119 119 ASN HA H 1 4.618 0.007 . 1 . . . A 119 ASN HA . 25342 1 1414 . 1 1 119 119 ASN HB2 H 1 2.861 0.007 . 2 . . . A 119 ASN HB2 . 25342 1 1415 . 1 1 119 119 ASN HB3 H 1 3.191 0.007 . 2 . . . A 119 ASN HB3 . 25342 1 1416 . 1 1 119 119 ASN HD21 H 1 7.663 0.007 . 2 . . . A 119 ASN HD21 . 25342 1 1417 . 1 1 119 119 ASN HD22 H 1 7.023 0.007 . 2 . . . A 119 ASN HD22 . 25342 1 1418 . 1 1 119 119 ASN C C 13 173.114 0.164 . 1 . . . A 119 ASN C . 25342 1 1419 . 1 1 119 119 ASN CA C 13 51.684 0.164 . 1 . . . A 119 ASN CA . 25342 1 1420 . 1 1 119 119 ASN CB C 13 33.730 0.164 . 1 . . . A 119 ASN CB . 25342 1 1421 . 1 1 119 119 ASN N N 15 113.202 0.121 . 1 . . . A 119 ASN N . 25342 1 1422 . 1 1 119 119 ASN ND2 N 15 114.882 0.121 . 1 . . . A 119 ASN ND2 . 25342 1 1423 . 1 1 120 120 HIS H H 1 8.074 0.007 . 1 . . . A 120 HIS H . 25342 1 1424 . 1 1 120 120 HIS HA H 1 3.786 0.007 . 1 . . . A 120 HIS HA . 25342 1 1425 . 1 1 120 120 HIS HB2 H 1 2.975 0.007 . 2 . . . A 120 HIS HB2 . 25342 1 1426 . 1 1 120 120 HIS HB3 H 1 3.095 0.007 . 2 . . . A 120 HIS HB3 . 25342 1 1427 . 1 1 120 120 HIS C C 13 174.381 0.164 . 1 . . . A 120 HIS C . 25342 1 1428 . 1 1 120 120 HIS CA C 13 54.516 0.164 . 1 . . . A 120 HIS CA . 25342 1 1429 . 1 1 120 120 HIS CB C 13 26.504 0.164 . 1 . . . A 120 HIS CB . 25342 1 1430 . 1 1 120 120 HIS N N 15 117.315 0.121 . 1 . . . A 120 HIS N . 25342 1 1431 . 1 1 121 121 LYS H H 1 8.336 0.007 . 1 . . . A 121 LYS H . 25342 1 1432 . 1 1 121 121 LYS HA H 1 3.834 0.007 . 1 . . . A 121 LYS HA . 25342 1 1433 . 1 1 121 121 LYS HB2 H 1 1.752 0.007 . 2 . . . A 121 LYS HB2 . 25342 1 1434 . 1 1 121 121 LYS HB3 H 1 1.690 0.007 . 2 . . . A 121 LYS HB3 . 25342 1 1435 . 1 1 121 121 LYS HG2 H 1 1.478 0.007 . 2 . . . A 121 LYS HG2 . 25342 1 1436 . 1 1 121 121 LYS HG3 H 1 1.315 0.007 . 2 . . . A 121 LYS HG3 . 25342 1 1437 . 1 1 121 121 LYS HD2 H 1 1.607 0.007 . 1 . . . A 121 LYS QD . 25342 1 1438 . 1 1 121 121 LYS HD3 H 1 1.607 0.007 . 1 . . . A 121 LYS QD . 25342 1 1439 . 1 1 121 121 LYS HE2 H 1 2.920 0.007 . 1 . . . A 121 LYS QE . 25342 1 1440 . 1 1 121 121 LYS HE3 H 1 2.920 0.007 . 1 . . . A 121 LYS QE . 25342 1 1441 . 1 1 121 121 LYS C C 13 176.564 0.164 . 1 . . . A 121 LYS C . 25342 1 1442 . 1 1 121 121 LYS CA C 13 57.295 0.164 . 1 . . . A 121 LYS CA . 25342 1 1443 . 1 1 121 121 LYS CB C 13 28.942 0.164 . 1 . . . A 121 LYS CB . 25342 1 1444 . 1 1 121 121 LYS CG C 13 22.825 0.164 . 1 . . . A 121 LYS CG . 25342 1 1445 . 1 1 121 121 LYS CD C 13 26.369 0.164 . 1 . . . A 121 LYS CD . 25342 1 1446 . 1 1 121 121 LYS CE C 13 39.558 0.164 . 1 . . . A 121 LYS CE . 25342 1 1447 . 1 1 121 121 LYS N N 15 118.678 0.121 . 1 . . . A 121 LYS N . 25342 1 1448 . 1 1 122 122 ALA H H 1 7.584 0.007 . 1 . . . A 122 ALA H . 25342 1 1449 . 1 1 122 122 ALA HA H 1 3.695 0.007 . 1 . . . A 122 ALA HA . 25342 1 1450 . 1 1 122 122 ALA HB1 H 1 1.215 0.007 . 1 . . . A 122 ALA QB . 25342 1 1451 . 1 1 122 122 ALA HB2 H 1 1.215 0.007 . 1 . . . A 122 ALA QB . 25342 1 1452 . 1 1 122 122 ALA HB3 H 1 1.215 0.007 . 1 . . . A 122 ALA QB . 25342 1 1453 . 1 1 122 122 ALA C C 13 175.163 0.164 . 1 . . . A 122 ALA C . 25342 1 1454 . 1 1 122 122 ALA CA C 13 51.692 0.164 . 1 . . . A 122 ALA CA . 25342 1 1455 . 1 1 122 122 ALA CB C 13 15.718 0.164 . 1 . . . A 122 ALA CB . 25342 1 1456 . 1 1 122 122 ALA N N 15 122.146 0.121 . 1 . . . A 122 ALA N . 25342 1 1457 . 1 1 123 123 TYR H H 1 7.317 0.007 . 1 . . . A 123 TYR H . 25342 1 1458 . 1 1 123 123 TYR HA H 1 3.153 0.007 . 1 . . . A 123 TYR HA . 25342 1 1459 . 1 1 123 123 TYR HB2 H 1 1.997 0.007 . 2 . . . A 123 TYR HB2 . 25342 1 1460 . 1 1 123 123 TYR HB3 H 1 2.708 0.007 . 2 . . . A 123 TYR HB3 . 25342 1 1461 . 1 1 123 123 TYR HD1 H 1 6.126 0.007 . 3 . . . A 123 TYR HD1 . 25342 1 1462 . 1 1 123 123 TYR HD2 H 1 6.019 0.007 . 3 . . . A 123 TYR HD2 . 25342 1 1463 . 1 1 123 123 TYR C C 13 174.340 0.164 . 1 . . . A 123 TYR C . 25342 1 1464 . 1 1 123 123 TYR CA C 13 60.398 0.164 . 1 . . . A 123 TYR CA . 25342 1 1465 . 1 1 123 123 TYR CB C 13 34.663 0.164 . 1 . . . A 123 TYR CB . 25342 1 1466 . 1 1 123 123 TYR CD1 C 13 128.624 0.164 . 3 . . . A 123 TYR CD1 . 25342 1 1467 . 1 1 123 123 TYR CD2 C 13 128.467 0.164 . 3 . . . A 123 TYR CD2 . 25342 1 1468 . 1 1 123 123 TYR N N 15 119.730 0.121 . 1 . . . A 123 TYR N . 25342 1 1469 . 1 1 124 124 VAL H H 1 7.799 0.007 . 1 . . . A 124 VAL H . 25342 1 1470 . 1 1 124 124 VAL HA H 1 3.202 0.007 . 1 . . . A 124 VAL HA . 25342 1 1471 . 1 1 124 124 VAL HB H 1 2.150 0.007 . 1 . . . A 124 VAL HB . 25342 1 1472 . 1 1 124 124 VAL HG11 H 1 0.872 0.007 . 2 . . . A 124 VAL QG1 . 25342 1 1473 . 1 1 124 124 VAL HG12 H 1 0.872 0.007 . 2 . . . A 124 VAL QG1 . 25342 1 1474 . 1 1 124 124 VAL HG13 H 1 0.872 0.007 . 2 . . . A 124 VAL QG1 . 25342 1 1475 . 1 1 124 124 VAL HG21 H 1 1.033 0.007 . 2 . . . A 124 VAL QG2 . 25342 1 1476 . 1 1 124 124 VAL HG22 H 1 1.033 0.007 . 2 . . . A 124 VAL QG2 . 25342 1 1477 . 1 1 124 124 VAL HG23 H 1 1.033 0.007 . 2 . . . A 124 VAL QG2 . 25342 1 1478 . 1 1 124 124 VAL C C 13 175.603 0.164 . 1 . . . A 124 VAL C . 25342 1 1479 . 1 1 124 124 VAL CA C 13 64.680 0.164 . 1 . . . A 124 VAL CA . 25342 1 1480 . 1 1 124 124 VAL CB C 13 29.289 0.164 . 1 . . . A 124 VAL CB . 25342 1 1481 . 1 1 124 124 VAL CG1 C 13 18.710 0.164 . 2 . . . A 124 VAL CG1 . 25342 1 1482 . 1 1 124 124 VAL CG2 C 13 18.757 0.164 . 2 . . . A 124 VAL CG2 . 25342 1 1483 . 1 1 124 124 VAL N N 15 118.649 0.121 . 1 . . . A 124 VAL N . 25342 1 1484 . 1 1 125 125 SER H H 1 7.766 0.007 . 1 . . . A 125 SER H . 25342 1 1485 . 1 1 125 125 SER HA H 1 4.032 0.007 . 1 . . . A 125 SER HA . 25342 1 1486 . 1 1 125 125 SER HB2 H 1 3.481 0.007 . 1 . . . A 125 SER QB . 25342 1 1487 . 1 1 125 125 SER HB3 H 1 3.481 0.007 . 1 . . . A 125 SER QB . 25342 1 1488 . 1 1 125 125 SER C C 13 174.849 0.164 . 1 . . . A 125 SER C . 25342 1 1489 . 1 1 125 125 SER CA C 13 59.002 0.164 . 1 . . . A 125 SER CA . 25342 1 1490 . 1 1 125 125 SER CB C 13 59.613 0.164 . 1 . . . A 125 SER CB . 25342 1 1491 . 1 1 125 125 SER N N 15 114.475 0.121 . 1 . . . A 125 SER N . 25342 1 1492 . 1 1 126 126 HIS H H 1 8.569 0.007 . 1 . . . A 126 HIS H . 25342 1 1493 . 1 1 126 126 HIS HA H 1 4.127 0.007 . 1 . . . A 126 HIS HA . 25342 1 1494 . 1 1 126 126 HIS HB2 H 1 2.375 0.007 . 2 . . . A 126 HIS HB2 . 25342 1 1495 . 1 1 126 126 HIS HB3 H 1 1.957 0.007 . 2 . . . A 126 HIS HB3 . 25342 1 1496 . 1 1 126 126 HIS HD2 H 1 7.140 0.007 . 1 . . . A 126 HIS HD2 . 25342 1 1497 . 1 1 126 126 HIS C C 13 172.865 0.164 . 1 . . . A 126 HIS C . 25342 1 1498 . 1 1 126 126 HIS CA C 13 55.706 0.164 . 1 . . . A 126 HIS CA . 25342 1 1499 . 1 1 126 126 HIS CB C 13 25.993 0.164 . 1 . . . A 126 HIS CB . 25342 1 1500 . 1 1 126 126 HIS CD2 C 13 114.487 0.164 . 1 . . . A 126 HIS CD2 . 25342 1 1501 . 1 1 126 126 HIS N N 15 119.326 0.121 . 1 . . . A 126 HIS N . 25342 1 1502 . 1 1 127 127 PHE H H 1 9.139 0.007 . 1 . . . A 127 PHE H . 25342 1 1503 . 1 1 127 127 PHE HA H 1 3.174 0.007 . 1 . . . A 127 PHE HA . 25342 1 1504 . 1 1 127 127 PHE HB2 H 1 2.298 0.007 . 2 . . . A 127 PHE HB2 . 25342 1 1505 . 1 1 127 127 PHE HB3 H 1 2.701 0.007 . 2 . . . A 127 PHE HB3 . 25342 1 1506 . 1 1 127 127 PHE HD1 H 1 6.722 0.007 . 1 . . . A 127 PHE QD . 25342 1 1507 . 1 1 127 127 PHE HD2 H 1 6.722 0.007 . 1 . . . A 127 PHE QD . 25342 1 1508 . 1 1 127 127 PHE C C 13 173.378 0.164 . 1 . . . A 127 PHE C . 25342 1 1509 . 1 1 127 127 PHE CA C 13 60.867 0.164 . 1 . . . A 127 PHE CA . 25342 1 1510 . 1 1 127 127 PHE CB C 13 36.054 0.164 . 1 . . . A 127 PHE CB . 25342 1 1511 . 1 1 127 127 PHE CD2 C 13 127.133 0.164 . 3 . . . A 127 PHE CD2 . 25342 1 1512 . 1 1 127 127 PHE N N 15 121.044 0.121 . 1 . . . A 127 PHE N . 25342 1 1513 . 1 1 128 128 ASN H H 1 7.774 0.007 . 1 . . . A 128 ASN H . 25342 1 1514 . 1 1 128 128 ASN HA H 1 4.040 0.007 . 1 . . . A 128 ASN HA . 25342 1 1515 . 1 1 128 128 ASN HB2 H 1 2.819 0.007 . 2 . . . A 128 ASN HB2 . 25342 1 1516 . 1 1 128 128 ASN HB3 H 1 2.516 0.007 . 2 . . . A 128 ASN HB3 . 25342 1 1517 . 1 1 128 128 ASN HD21 H 1 6.663 0.007 . 2 . . . A 128 ASN HD21 . 25342 1 1518 . 1 1 128 128 ASN HD22 H 1 7.200 0.007 . 2 . . . A 128 ASN HD22 . 25342 1 1519 . 1 1 128 128 ASN C C 13 175.230 0.164 . 1 . . . A 128 ASN C . 25342 1 1520 . 1 1 128 128 ASN CA C 13 54.300 0.164 . 1 . . . A 128 ASN CA . 25342 1 1521 . 1 1 128 128 ASN CB C 13 36.171 0.164 . 1 . . . A 128 ASN CB . 25342 1 1522 . 1 1 128 128 ASN N N 15 114.893 0.121 . 1 . . . A 128 ASN N . 25342 1 1523 . 1 1 128 128 ASN ND2 N 15 110.295 0.121 . 1 . . . A 128 ASN ND2 . 25342 1 1524 . 1 1 129 129 GLU H H 1 7.577 0.007 . 1 . . . A 129 GLU H . 25342 1 1525 . 1 1 129 129 GLU HA H 1 4.040 0.007 . 1 . . . A 129 GLU HA . 25342 1 1526 . 1 1 129 129 GLU HB2 H 1 2.196 0.007 . 2 . . . A 129 GLU HB2 . 25342 1 1527 . 1 1 129 129 GLU HB3 H 1 2.100 0.007 . 2 . . . A 129 GLU HB3 . 25342 1 1528 . 1 1 129 129 GLU HG2 H 1 2.457 0.007 . 2 . . . A 129 GLU HG2 . 25342 1 1529 . 1 1 129 129 GLU HG3 H 1 2.191 0.007 . 2 . . . A 129 GLU HG3 . 25342 1 1530 . 1 1 129 129 GLU C C 13 177.052 0.164 . 1 . . . A 129 GLU C . 25342 1 1531 . 1 1 129 129 GLU CA C 13 56.730 0.164 . 1 . . . A 129 GLU CA . 25342 1 1532 . 1 1 129 129 GLU CB C 13 27.196 0.164 . 1 . . . A 129 GLU CB . 25342 1 1533 . 1 1 129 129 GLU CG C 13 33.456 0.164 . 1 . . . A 129 GLU CG . 25342 1 1534 . 1 1 129 129 GLU N N 15 119.804 0.121 . 1 . . . A 129 GLU N . 25342 1 1535 . 1 1 130 130 TRP H H 1 8.225 0.007 . 1 . . . A 130 TRP H . 25342 1 1536 . 1 1 130 130 TRP HA H 1 4.457 0.007 . 1 . . . A 130 TRP HA . 25342 1 1537 . 1 1 130 130 TRP HB2 H 1 2.756 0.007 . 1 . . . A 130 TRP QB . 25342 1 1538 . 1 1 130 130 TRP HB3 H 1 2.756 0.007 . 1 . . . A 130 TRP QB . 25342 1 1539 . 1 1 130 130 TRP HD1 H 1 6.916 0.007 . 1 . . . A 130 TRP HD1 . 25342 1 1540 . 1 1 130 130 TRP HE1 H 1 10.456 0.007 . 1 . . . A 130 TRP HE1 . 25342 1 1541 . 1 1 130 130 TRP HE3 H 1 7.425 0.007 . 1 . . . A 130 TRP HE3 . 25342 1 1542 . 1 1 130 130 TRP HZ2 H 1 7.297 0.007 . 1 . . . A 130 TRP HZ2 . 25342 1 1543 . 1 1 130 130 TRP C C 13 174.329 0.164 . 1 . . . A 130 TRP C . 25342 1 1544 . 1 1 130 130 TRP CA C 13 54.688 0.164 . 1 . . . A 130 TRP CA . 25342 1 1545 . 1 1 130 130 TRP CB C 13 26.991 0.164 . 1 . . . A 130 TRP CB . 25342 1 1546 . 1 1 130 130 TRP CD1 C 13 119.278 0.164 . 1 . . . A 130 TRP CD1 . 25342 1 1547 . 1 1 130 130 TRP CE3 C 13 116.204 0.164 . 1 . . . A 130 TRP CE3 . 25342 1 1548 . 1 1 130 130 TRP CZ2 C 13 109.726 0.164 . 1 . . . A 130 TRP CZ2 . 25342 1 1549 . 1 1 130 130 TRP N N 15 120.979 0.121 . 1 . . . A 130 TRP N . 25342 1 1550 . 1 1 130 130 TRP NE1 N 15 127.613 0.121 . 1 . . . A 130 TRP NE1 . 25342 1 1551 . 1 1 131 131 ALA H H 1 8.081 0.007 . 1 . . . A 131 ALA H . 25342 1 1552 . 1 1 131 131 ALA HA H 1 3.936 0.007 . 1 . . . A 131 ALA HA . 25342 1 1553 . 1 1 131 131 ALA HB1 H 1 0.815 0.007 . 1 . . . A 131 ALA QB . 25342 1 1554 . 1 1 131 131 ALA HB2 H 1 0.815 0.007 . 1 . . . A 131 ALA QB . 25342 1 1555 . 1 1 131 131 ALA HB3 H 1 0.815 0.007 . 1 . . . A 131 ALA QB . 25342 1 1556 . 1 1 131 131 ALA C C 13 172.487 0.164 . 1 . . . A 131 ALA C . 25342 1 1557 . 1 1 131 131 ALA CA C 13 48.434 0.164 . 1 . . . A 131 ALA CA . 25342 1 1558 . 1 1 131 131 ALA CB C 13 16.288 0.164 . 1 . . . A 131 ALA CB . 25342 1 1559 . 1 1 131 131 ALA N N 15 120.450 0.121 . 1 . . . A 131 ALA N . 25342 1 1560 . 1 1 132 132 ASP H H 1 6.772 0.007 . 1 . . . A 132 ASP H . 25342 1 1561 . 1 1 132 132 ASP HA H 1 4.208 0.007 . 1 . . . A 132 ASP HA . 25342 1 1562 . 1 1 132 132 ASP HB2 H 1 2.841 0.007 . 2 . . . A 132 ASP HB2 . 25342 1 1563 . 1 1 132 132 ASP HB3 H 1 2.513 0.007 . 2 . . . A 132 ASP HB3 . 25342 1 1564 . 1 1 132 132 ASP C C 13 173.804 0.164 . 1 . . . A 132 ASP C . 25342 1 1565 . 1 1 132 132 ASP CA C 13 54.181 0.164 . 1 . . . A 132 ASP CA . 25342 1 1566 . 1 1 132 132 ASP CB C 13 39.321 0.164 . 1 . . . A 132 ASP CB . 25342 1 1567 . 1 1 132 132 ASP N N 15 117.813 0.121 . 1 . . . A 132 ASP N . 25342 1 1568 . 1 1 133 133 GLY H H 1 8.626 0.007 . 1 . . . A 133 GLY H . 25342 1 1569 . 1 1 133 133 GLY HA2 H 1 4.370 0.007 . 2 . . . A 133 GLY HA2 . 25342 1 1570 . 1 1 133 133 GLY HA3 H 1 3.556 0.007 . 2 . . . A 133 GLY HA3 . 25342 1 1571 . 1 1 133 133 GLY C C 13 172.078 0.164 . 1 . . . A 133 GLY C . 25342 1 1572 . 1 1 133 133 GLY CA C 13 42.420 0.164 . 1 . . . A 133 GLY CA . 25342 1 1573 . 1 1 133 133 GLY N N 15 115.052 0.121 . 1 . . . A 133 GLY N . 25342 1 1574 . 1 1 134 134 LEU H H 1 8.094 0.007 . 1 . . . A 134 LEU H . 25342 1 1575 . 1 1 134 134 LEU HA H 1 4.472 0.007 . 1 . . . A 134 LEU HA . 25342 1 1576 . 1 1 134 134 LEU HB2 H 1 1.831 0.007 . 2 . . . A 134 LEU HB2 . 25342 1 1577 . 1 1 134 134 LEU HB3 H 1 1.185 0.007 . 2 . . . A 134 LEU HB3 . 25342 1 1578 . 1 1 134 134 LEU HG H 1 1.500 0.007 . 1 . . . A 134 LEU HG . 25342 1 1579 . 1 1 134 134 LEU HD11 H 1 0.706 0.007 . 2 . . . A 134 LEU QD1 . 25342 1 1580 . 1 1 134 134 LEU HD12 H 1 0.706 0.007 . 2 . . . A 134 LEU QD1 . 25342 1 1581 . 1 1 134 134 LEU HD13 H 1 0.706 0.007 . 2 . . . A 134 LEU QD1 . 25342 1 1582 . 1 1 134 134 LEU HD21 H 1 1.004 0.007 . 2 . . . A 134 LEU QD2 . 25342 1 1583 . 1 1 134 134 LEU HD22 H 1 1.004 0.007 . 2 . . . A 134 LEU QD2 . 25342 1 1584 . 1 1 134 134 LEU HD23 H 1 1.004 0.007 . 2 . . . A 134 LEU QD2 . 25342 1 1585 . 1 1 134 134 LEU C C 13 174.079 0.164 . 1 . . . A 134 LEU C . 25342 1 1586 . 1 1 134 134 LEU CA C 13 50.964 0.164 . 1 . . . A 134 LEU CA . 25342 1 1587 . 1 1 134 134 LEU CB C 13 40.370 0.164 . 1 . . . A 134 LEU CB . 25342 1 1588 . 1 1 134 134 LEU CG C 13 24.280 0.164 . 1 . . . A 134 LEU CG . 25342 1 1589 . 1 1 134 134 LEU CD1 C 13 23.800 0.164 . 2 . . . A 134 LEU CD1 . 25342 1 1590 . 1 1 134 134 LEU CD2 C 13 20.995 0.164 . 2 . . . A 134 LEU CD2 . 25342 1 1591 . 1 1 134 134 LEU N N 15 120.063 0.121 . 1 . . . A 134 LEU N . 25342 1 1592 . 1 1 135 135 ASN H H 1 8.513 0.007 . 1 . . . A 135 ASN H . 25342 1 1593 . 1 1 135 135 ASN HA H 1 4.623 0.007 . 1 . . . A 135 ASN HA . 25342 1 1594 . 1 1 135 135 ASN HB2 H 1 3.162 0.007 . 2 . . . A 135 ASN HB2 . 25342 1 1595 . 1 1 135 135 ASN HB3 H 1 2.545 0.007 . 2 . . . A 135 ASN HB3 . 25342 1 1596 . 1 1 135 135 ASN HD21 H 1 6.826 0.007 . 2 . . . A 135 ASN HD21 . 25342 1 1597 . 1 1 135 135 ASN HD22 H 1 7.369 0.007 . 2 . . . A 135 ASN HD22 . 25342 1 1598 . 1 1 135 135 ASN C C 13 170.527 0.164 . 1 . . . A 135 ASN C . 25342 1 1599 . 1 1 135 135 ASN CA C 13 49.002 0.164 . 1 . . . A 135 ASN CA . 25342 1 1600 . 1 1 135 135 ASN CB C 13 33.560 0.164 . 1 . . . A 135 ASN CB . 25342 1 1601 . 1 1 135 135 ASN N N 15 119.292 0.121 . 1 . . . A 135 ASN N . 25342 1 1602 . 1 1 135 135 ASN ND2 N 15 110.357 0.121 . 1 . . . A 135 ASN ND2 . 25342 1 1603 . 1 1 136 136 VAL H H 1 7.648 0.007 . 1 . . . A 136 VAL H . 25342 1 1604 . 1 1 136 136 VAL HA H 1 4.606 0.007 . 1 . . . A 136 VAL HA . 25342 1 1605 . 1 1 136 136 VAL HB H 1 2.060 0.007 . 1 . . . A 136 VAL HB . 25342 1 1606 . 1 1 136 136 VAL HG11 H 1 0.847 0.007 . 2 . . . A 136 VAL QG1 . 25342 1 1607 . 1 1 136 136 VAL HG12 H 1 0.847 0.007 . 2 . . . A 136 VAL QG1 . 25342 1 1608 . 1 1 136 136 VAL HG13 H 1 0.847 0.007 . 2 . . . A 136 VAL QG1 . 25342 1 1609 . 1 1 136 136 VAL HG21 H 1 0.788 0.007 . 2 . . . A 136 VAL QG2 . 25342 1 1610 . 1 1 136 136 VAL HG22 H 1 0.788 0.007 . 2 . . . A 136 VAL QG2 . 25342 1 1611 . 1 1 136 136 VAL HG23 H 1 0.788 0.007 . 2 . . . A 136 VAL QG2 . 25342 1 1612 . 1 1 136 136 VAL C C 13 175.420 0.164 . 1 . . . A 136 VAL C . 25342 1 1613 . 1 1 136 136 VAL CA C 13 58.382 0.164 . 1 . . . A 136 VAL CA . 25342 1 1614 . 1 1 136 136 VAL CB C 13 29.247 0.164 . 1 . . . A 136 VAL CB . 25342 1 1615 . 1 1 136 136 VAL CG1 C 13 19.118 0.164 . 2 . . . A 136 VAL CG1 . 25342 1 1616 . 1 1 136 136 VAL CG2 C 13 19.489 0.164 . 2 . . . A 136 VAL CG2 . 25342 1 1617 . 1 1 136 136 VAL N N 15 125.412 0.121 . 1 . . . A 136 VAL N . 25342 1 1618 . 1 1 137 137 ILE H H 1 9.139 0.007 . 1 . . . A 137 ILE H . 25342 1 1619 . 1 1 137 137 ILE HA H 1 4.433 0.007 . 1 . . . A 137 ILE HA . 25342 1 1620 . 1 1 137 137 ILE HB H 1 1.989 0.007 . 1 . . . A 137 ILE HB . 25342 1 1621 . 1 1 137 137 ILE HG12 H 1 0.660 0.007 . 1 . . . A 137 ILE QG1 . 25342 1 1622 . 1 1 137 137 ILE HG13 H 1 0.660 0.007 . 1 . . . A 137 ILE QG1 . 25342 1 1623 . 1 1 137 137 ILE HG21 H 1 0.808 0.007 . 1 . . . A 137 ILE QG2 . 25342 1 1624 . 1 1 137 137 ILE HG22 H 1 0.808 0.007 . 1 . . . A 137 ILE QG2 . 25342 1 1625 . 1 1 137 137 ILE HG23 H 1 0.808 0.007 . 1 . . . A 137 ILE QG2 . 25342 1 1626 . 1 1 137 137 ILE HD11 H 1 0.662 0.007 . 1 . . . A 137 ILE QD1 . 25342 1 1627 . 1 1 137 137 ILE HD12 H 1 0.662 0.007 . 1 . . . A 137 ILE QD1 . 25342 1 1628 . 1 1 137 137 ILE HD13 H 1 0.662 0.007 . 1 . . . A 137 ILE QD1 . 25342 1 1629 . 1 1 137 137 ILE C C 13 173.906 0.164 . 1 . . . A 137 ILE C . 25342 1 1630 . 1 1 137 137 ILE CA C 13 58.978 0.164 . 1 . . . A 137 ILE CA . 25342 1 1631 . 1 1 137 137 ILE CB C 13 36.196 0.164 . 1 . . . A 137 ILE CB . 25342 1 1632 . 1 1 137 137 ILE CG1 C 13 23.681 0.164 . 1 . . . A 137 ILE CG1 . 25342 1 1633 . 1 1 137 137 ILE CG2 C 13 15.458 0.164 . 1 . . . A 137 ILE CG2 . 25342 1 1634 . 1 1 137 137 ILE CD1 C 13 11.977 0.164 . 1 . . . A 137 ILE CD1 . 25342 1 1635 . 1 1 137 137 ILE N N 15 121.881 0.121 . 1 . . . A 137 ILE N . 25342 1 1636 . 1 1 138 138 GLY H H 1 6.645 0.007 . 1 . . . A 138 GLY H . 25342 1 1637 . 1 1 138 138 GLY HA2 H 1 4.295 0.007 . 2 . . . A 138 GLY HA2 . 25342 1 1638 . 1 1 138 138 GLY HA3 H 1 4.060 0.007 . 2 . . . A 138 GLY HA3 . 25342 1 1639 . 1 1 138 138 GLY CA C 13 43.391 0.164 . 1 . . . A 138 GLY CA . 25342 1 1640 . 1 1 138 138 GLY N N 15 108.226 0.121 . 1 . . . A 138 GLY N . 25342 1 1641 . 1 1 139 139 VAL H H 1 8.092 0.007 . 1 . . . A 139 VAL H . 25342 1 1642 . 1 1 139 139 VAL HA H 1 5.357 0.007 . 1 . . . A 139 VAL HA . 25342 1 1643 . 1 1 139 139 VAL HB H 1 2.077 0.007 . 1 . . . A 139 VAL HB . 25342 1 1644 . 1 1 139 139 VAL HG11 H 1 1.045 0.007 . 2 . . . A 139 VAL QG1 . 25342 1 1645 . 1 1 139 139 VAL HG12 H 1 1.045 0.007 . 2 . . . A 139 VAL QG1 . 25342 1 1646 . 1 1 139 139 VAL HG13 H 1 1.045 0.007 . 2 . . . A 139 VAL QG1 . 25342 1 1647 . 1 1 139 139 VAL HG21 H 1 0.812 0.007 . 2 . . . A 139 VAL QG2 . 25342 1 1648 . 1 1 139 139 VAL HG22 H 1 0.812 0.007 . 2 . . . A 139 VAL QG2 . 25342 1 1649 . 1 1 139 139 VAL HG23 H 1 0.812 0.007 . 2 . . . A 139 VAL QG2 . 25342 1 1650 . 1 1 139 139 VAL C C 13 172.327 0.164 . 1 . . . A 139 VAL C . 25342 1 1651 . 1 1 139 139 VAL CA C 13 58.267 0.164 . 1 . . . A 139 VAL CA . 25342 1 1652 . 1 1 139 139 VAL CB C 13 32.743 0.164 . 1 . . . A 139 VAL CB . 25342 1 1653 . 1 1 139 139 VAL CG1 C 13 21.406 0.164 . 2 . . . A 139 VAL CG1 . 25342 1 1654 . 1 1 139 139 VAL CG2 C 13 19.783 0.164 . 2 . . . A 139 VAL CG2 . 25342 1 1655 . 1 1 139 139 VAL N N 15 119.408 0.121 . 1 . . . A 139 VAL N . 25342 1 1656 . 1 1 140 140 ALA H H 1 9.093 0.007 . 1 . . . A 140 ALA H . 25342 1 1657 . 1 1 140 140 ALA HA H 1 4.445 0.007 . 1 . . . A 140 ALA HA . 25342 1 1658 . 1 1 140 140 ALA HB1 H 1 1.210 0.007 . 1 . . . A 140 ALA QB . 25342 1 1659 . 1 1 140 140 ALA HB2 H 1 1.210 0.007 . 1 . . . A 140 ALA QB . 25342 1 1660 . 1 1 140 140 ALA HB3 H 1 1.210 0.007 . 1 . . . A 140 ALA QB . 25342 1 1661 . 1 1 140 140 ALA C C 13 170.718 0.164 . 1 . . . A 140 ALA C . 25342 1 1662 . 1 1 140 140 ALA CA C 13 48.900 0.164 . 1 . . . A 140 ALA CA . 25342 1 1663 . 1 1 140 140 ALA CB C 13 21.059 0.164 . 1 . . . A 140 ALA CB . 25342 1 1664 . 1 1 140 140 ALA N N 15 127.415 0.121 . 1 . . . A 140 ALA N . 25342 1 1665 . 1 1 141 141 ARG H H 1 7.620 0.007 . 1 . . . A 141 ARG H . 25342 1 1666 . 1 1 141 141 ARG HA H 1 2.487 0.007 . 1 . . . A 141 ARG HA . 25342 1 1667 . 1 1 141 141 ARG HB2 H 1 0.790 0.007 . 2 . . . A 141 ARG HB2 . 25342 1 1668 . 1 1 141 141 ARG HB3 H 1 1.246 0.007 . 2 . . . A 141 ARG HB3 . 25342 1 1669 . 1 1 141 141 ARG HG2 H 1 1.443 0.007 . 2 . . . A 141 ARG HG2 . 25342 1 1670 . 1 1 141 141 ARG HG3 H 1 0.935 0.007 . 2 . . . A 141 ARG HG3 . 25342 1 1671 . 1 1 141 141 ARG HD2 H 1 2.986 0.007 . 2 . . . A 141 ARG HD2 . 25342 1 1672 . 1 1 141 141 ARG HD3 H 1 2.732 0.007 . 2 . . . A 141 ARG HD3 . 25342 1 1673 . 1 1 141 141 ARG C C 13 173.375 0.164 . 1 . . . A 141 ARG C . 25342 1 1674 . 1 1 141 141 ARG CA C 13 51.884 0.164 . 1 . . . A 141 ARG CA . 25342 1 1675 . 1 1 141 141 ARG CB C 13 28.684 0.164 . 1 . . . A 141 ARG CB . 25342 1 1676 . 1 1 141 141 ARG CG C 13 23.668 0.164 . 1 . . . A 141 ARG CG . 25342 1 1677 . 1 1 141 141 ARG CD C 13 41.960 0.164 . 1 . . . A 141 ARG CD . 25342 1 1678 . 1 1 141 141 ARG N N 15 119.287 0.121 . 1 . . . A 141 ARG N . 25342 1 1679 . 1 1 142 142 ASP H H 1 9.482 0.007 . 1 . . . A 142 ASP H . 25342 1 1680 . 1 1 142 142 ASP HA H 1 3.724 0.007 . 1 . . . A 142 ASP HA . 25342 1 1681 . 1 1 142 142 ASP HB2 H 1 2.552 0.007 . 2 . . . A 142 ASP HB2 . 25342 1 1682 . 1 1 142 142 ASP HB3 H 1 2.758 0.007 . 2 . . . A 142 ASP HB3 . 25342 1 1683 . 1 1 142 142 ASP C C 13 169.292 0.164 . 1 . . . A 142 ASP C . 25342 1 1684 . 1 1 142 142 ASP CA C 13 53.338 0.164 . 1 . . . A 142 ASP CA . 25342 1 1685 . 1 1 142 142 ASP CB C 13 36.677 0.164 . 1 . . . A 142 ASP CB . 25342 1 1686 . 1 1 142 142 ASP N N 15 125.999 0.121 . 1 . . . A 142 ASP N . 25342 1 1687 . 1 1 143 143 ASP H H 1 8.108 0.007 . 1 . . . A 143 ASP H . 25342 1 1688 . 1 1 143 143 ASP HA H 1 4.306 0.007 . 1 . . . A 143 ASP HA . 25342 1 1689 . 1 1 143 143 ASP HB2 H 1 3.004 0.007 . 2 . . . A 143 ASP HB2 . 25342 1 1690 . 1 1 143 143 ASP HB3 H 1 1.969 0.007 . 2 . . . A 143 ASP HB3 . 25342 1 1691 . 1 1 143 143 ASP C C 13 175.686 0.164 . 1 . . . A 143 ASP C . 25342 1 1692 . 1 1 143 143 ASP CA C 13 48.905 0.164 . 1 . . . A 143 ASP CA . 25342 1 1693 . 1 1 143 143 ASP CB C 13 36.312 0.164 . 1 . . . A 143 ASP CB . 25342 1 1694 . 1 1 143 143 ASP N N 15 119.293 0.121 . 1 . . . A 143 ASP N . 25342 1 1695 . 1 1 144 144 SER H H 1 7.642 0.007 . 1 . . . A 144 SER H . 25342 1 1696 . 1 1 144 144 SER HA H 1 3.740 0.007 . 1 . . . A 144 SER HA . 25342 1 1697 . 1 1 144 144 SER HB2 H 1 3.905 0.007 . 2 . . . A 144 SER HB2 . 25342 1 1698 . 1 1 144 144 SER HB3 H 1 3.709 0.007 . 2 . . . A 144 SER HB3 . 25342 1 1699 . 1 1 144 144 SER C C 13 172.925 0.164 . 1 . . . A 144 SER C . 25342 1 1700 . 1 1 144 144 SER CA C 13 59.213 0.164 . 1 . . . A 144 SER CA . 25342 1 1701 . 1 1 144 144 SER CB C 13 60.806 0.164 . 1 . . . A 144 SER CB . 25342 1 1702 . 1 1 144 144 SER N N 15 115.303 0.121 . 1 . . . A 144 SER N . 25342 1 1703 . 1 1 145 145 GLU H H 1 7.771 0.007 . 1 . . . A 145 GLU H . 25342 1 1704 . 1 1 145 145 GLU HA H 1 4.306 0.007 . 1 . . . A 145 GLU HA . 25342 1 1705 . 1 1 145 145 GLU HB2 H 1 1.350 0.007 . 2 . . . A 145 GLU HB2 . 25342 1 1706 . 1 1 145 145 GLU HB3 H 1 0.174 0.007 . 2 . . . A 145 GLU HB3 . 25342 1 1707 . 1 1 145 145 GLU HG2 H 1 1.740 0.007 . 2 . . . A 145 GLU HG2 . 25342 1 1708 . 1 1 145 145 GLU HG3 H 1 1.833 0.007 . 2 . . . A 145 GLU HG3 . 25342 1 1709 . 1 1 145 145 GLU CA C 13 52.039 0.164 . 1 . . . A 145 GLU CA . 25342 1 1710 . 1 1 145 145 GLU CB C 13 26.800 0.164 . 1 . . . A 145 GLU CB . 25342 1 1711 . 1 1 145 145 GLU CG C 13 34.189 0.164 . 1 . . . A 145 GLU CG . 25342 1 1712 . 1 1 145 145 GLU N N 15 119.523 0.121 . 1 . . . A 145 GLU N . 25342 1 1713 . 1 1 146 146 VAL H H 1 6.352 0.007 . 1 . . . A 146 VAL H . 25342 1 1714 . 1 1 146 146 VAL HA H 1 2.941 0.007 . 1 . . . A 146 VAL HA . 25342 1 1715 . 1 1 146 146 VAL HB H 1 1.681 0.007 . 1 . . . A 146 VAL HB . 25342 1 1716 . 1 1 146 146 VAL HG11 H 1 0.730 0.007 . 2 . . . A 146 VAL QG1 . 25342 1 1717 . 1 1 146 146 VAL HG12 H 1 0.730 0.007 . 2 . . . A 146 VAL QG1 . 25342 1 1718 . 1 1 146 146 VAL HG13 H 1 0.730 0.007 . 2 . . . A 146 VAL QG1 . 25342 1 1719 . 1 1 146 146 VAL HG21 H 1 0.720 0.007 . 2 . . . A 146 VAL QG2 . 25342 1 1720 . 1 1 146 146 VAL HG22 H 1 0.720 0.007 . 2 . . . A 146 VAL QG2 . 25342 1 1721 . 1 1 146 146 VAL HG23 H 1 0.720 0.007 . 2 . . . A 146 VAL QG2 . 25342 1 1722 . 1 1 146 146 VAL C C 13 174.591 0.164 . 1 . . . A 146 VAL C . 25342 1 1723 . 1 1 146 146 VAL CA C 13 63.932 0.164 . 1 . . . A 146 VAL CA . 25342 1 1724 . 1 1 146 146 VAL CB C 13 29.047 0.164 . 1 . . . A 146 VAL CB . 25342 1 1725 . 1 1 146 146 VAL CG1 C 13 18.579 0.164 . 2 . . . A 146 VAL CG1 . 25342 1 1726 . 1 1 146 146 VAL CG2 C 13 21.068 0.164 . 2 . . . A 146 VAL CG2 . 25342 1 1727 . 1 1 146 146 VAL N N 15 118.683 0.121 . 1 . . . A 146 VAL N . 25342 1 1728 . 1 1 147 147 ASP H H 1 8.370 0.007 . 1 . . . A 147 ASP H . 25342 1 1729 . 1 1 147 147 ASP HA H 1 4.055 0.007 . 1 . . . A 147 ASP HA . 25342 1 1730 . 1 1 147 147 ASP HB2 H 1 2.406 0.007 . 1 . . . A 147 ASP QB . 25342 1 1731 . 1 1 147 147 ASP HB3 H 1 2.406 0.007 . 1 . . . A 147 ASP QB . 25342 1 1732 . 1 1 147 147 ASP C C 13 174.783 0.164 . 1 . . . A 147 ASP C . 25342 1 1733 . 1 1 147 147 ASP CA C 13 54.241 0.164 . 1 . . . A 147 ASP CA . 25342 1 1734 . 1 1 147 147 ASP CB C 13 37.233 0.164 . 1 . . . A 147 ASP CB . 25342 1 1735 . 1 1 147 147 ASP N N 15 119.312 0.121 . 1 . . . A 147 ASP N . 25342 1 1736 . 1 1 148 148 LYS H H 1 7.040 0.007 . 1 . . . A 148 LYS H . 25342 1 1737 . 1 1 148 148 LYS HA H 1 3.937 0.007 . 1 . . . A 148 LYS HA . 25342 1 1738 . 1 1 148 148 LYS HB2 H 1 1.690 0.007 . 1 . . . A 148 LYS QB . 25342 1 1739 . 1 1 148 148 LYS HB3 H 1 1.690 0.007 . 1 . . . A 148 LYS QB . 25342 1 1740 . 1 1 148 148 LYS HG2 H 1 1.374 0.007 . 2 . . . A 148 LYS HG2 . 25342 1 1741 . 1 1 148 148 LYS HG3 H 1 1.283 0.007 . 2 . . . A 148 LYS HG3 . 25342 1 1742 . 1 1 148 148 LYS HD2 H 1 1.581 0.007 . 1 . . . A 148 LYS QD . 25342 1 1743 . 1 1 148 148 LYS HD3 H 1 1.581 0.007 . 1 . . . A 148 LYS QD . 25342 1 1744 . 1 1 148 148 LYS HE2 H 1 2.935 0.007 . 1 . . . A 148 LYS QE . 25342 1 1745 . 1 1 148 148 LYS HE3 H 1 2.935 0.007 . 1 . . . A 148 LYS QE . 25342 1 1746 . 1 1 148 148 LYS C C 13 176.384 0.164 . 1 . . . A 148 LYS C . 25342 1 1747 . 1 1 148 148 LYS CA C 13 55.706 0.164 . 1 . . . A 148 LYS CA . 25342 1 1748 . 1 1 148 148 LYS CB C 13 29.511 0.164 . 1 . . . A 148 LYS CB . 25342 1 1749 . 1 1 148 148 LYS CG C 13 22.195 0.164 . 1 . . . A 148 LYS CG . 25342 1 1750 . 1 1 148 148 LYS CD C 13 26.559 0.164 . 1 . . . A 148 LYS CD . 25342 1 1751 . 1 1 148 148 LYS CE C 13 39.521 0.164 . 1 . . . A 148 LYS CE . 25342 1 1752 . 1 1 148 148 LYS N N 15 119.342 0.121 . 1 . . . A 148 LYS N . 25342 1 1753 . 1 1 149 149 TRP H H 1 7.811 0.007 . 1 . . . A 149 TRP H . 25342 1 1754 . 1 1 149 149 TRP HA H 1 4.591 0.007 . 1 . . . A 149 TRP HA . 25342 1 1755 . 1 1 149 149 TRP HB2 H 1 2.915 0.007 . 2 . . . A 149 TRP HB2 . 25342 1 1756 . 1 1 149 149 TRP HB3 H 1 3.096 0.007 . 2 . . . A 149 TRP HB3 . 25342 1 1757 . 1 1 149 149 TRP HD1 H 1 6.865 0.007 . 1 . . . A 149 TRP HD1 . 25342 1 1758 . 1 1 149 149 TRP HE1 H 1 10.349 0.007 . 1 . . . A 149 TRP HE1 . 25342 1 1759 . 1 1 149 149 TRP HE3 H 1 7.040 0.007 . 1 . . . A 149 TRP HE3 . 25342 1 1760 . 1 1 149 149 TRP HZ2 H 1 6.917 0.007 . 1 . . . A 149 TRP HZ2 . 25342 1 1761 . 1 1 149 149 TRP C C 13 174.212 0.164 . 1 . . . A 149 TRP C . 25342 1 1762 . 1 1 149 149 TRP CA C 13 53.745 0.164 . 1 . . . A 149 TRP CA . 25342 1 1763 . 1 1 149 149 TRP CB C 13 26.940 0.164 . 1 . . . A 149 TRP CB . 25342 1 1764 . 1 1 149 149 TRP CD1 C 13 120.591 0.164 . 1 . . . A 149 TRP CD1 . 25342 1 1765 . 1 1 149 149 TRP CE3 C 13 115.826 0.164 . 1 . . . A 149 TRP CE3 . 25342 1 1766 . 1 1 149 149 TRP CZ2 C 13 110.173 0.164 . 1 . . . A 149 TRP CZ2 . 25342 1 1767 . 1 1 149 149 TRP N N 15 118.258 0.121 . 1 . . . A 149 TRP N . 25342 1 1768 . 1 1 149 149 TRP NE1 N 15 129.120 0.121 . 1 . . . A 149 TRP NE1 . 25342 1 1769 . 1 1 150 150 SER H H 1 7.793 0.007 . 1 . . . A 150 SER H . 25342 1 1770 . 1 1 150 150 SER HA H 1 4.234 0.007 . 1 . . . A 150 SER HA . 25342 1 1771 . 1 1 150 150 SER HB2 H 1 3.679 0.007 . 2 . . . A 150 SER HB2 . 25342 1 1772 . 1 1 150 150 SER HB3 H 1 3.988 0.007 . 2 . . . A 150 SER HB3 . 25342 1 1773 . 1 1 150 150 SER C C 13 170.189 0.164 . 1 . . . A 150 SER C . 25342 1 1774 . 1 1 150 150 SER CA C 13 56.695 0.164 . 1 . . . A 150 SER CA . 25342 1 1775 . 1 1 150 150 SER CB C 13 61.935 0.164 . 1 . . . A 150 SER CB . 25342 1 1776 . 1 1 150 150 SER N N 15 109.618 0.121 . 1 . . . A 150 SER N . 25342 1 1777 . 1 1 151 151 LYS H H 1 7.201 0.007 . 1 . . . A 151 LYS H . 25342 1 1778 . 1 1 151 151 LYS HA H 1 4.172 0.007 . 1 . . . A 151 LYS HA . 25342 1 1779 . 1 1 151 151 LYS HB2 H 1 1.785 0.007 . 2 . . . A 151 LYS HB2 . 25342 1 1780 . 1 1 151 151 LYS HB3 H 1 1.737 0.007 . 2 . . . A 151 LYS HB3 . 25342 1 1781 . 1 1 151 151 LYS HG2 H 1 1.383 0.007 . 1 . . . A 151 LYS QG . 25342 1 1782 . 1 1 151 151 LYS HG3 H 1 1.383 0.007 . 1 . . . A 151 LYS QG . 25342 1 1783 . 1 1 151 151 LYS HD2 H 1 1.579 0.007 . 1 . . . A 151 LYS QD . 25342 1 1784 . 1 1 151 151 LYS HD3 H 1 1.579 0.007 . 1 . . . A 151 LYS QD . 25342 1 1785 . 1 1 151 151 LYS HE2 H 1 2.906 0.007 . 1 . . . A 151 LYS QE . 25342 1 1786 . 1 1 151 151 LYS HE3 H 1 2.906 0.007 . 1 . . . A 151 LYS QE . 25342 1 1787 . 1 1 151 151 LYS CA C 13 55.367 0.164 . 1 . . . A 151 LYS CA . 25342 1 1788 . 1 1 151 151 LYS CB C 13 31.285 0.164 . 1 . . . A 151 LYS CB . 25342 1 1789 . 1 1 151 151 LYS CG C 13 22.234 0.164 . 1 . . . A 151 LYS CG . 25342 1 1790 . 1 1 151 151 LYS CD C 13 26.688 0.164 . 1 . . . A 151 LYS CD . 25342 1 1791 . 1 1 151 151 LYS CE C 13 39.744 0.164 . 1 . . . A 151 LYS CE . 25342 1 1792 . 1 1 151 151 LYS N N 15 127.362 0.121 . 1 . . . A 151 LYS N . 25342 1 stop_ save_