data_25001 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25001 _Entry.Title ; Structural insight into host recognition and biofilm formation by aggregative adherence fimbriae of enteroaggregative Esherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-04 _Entry.Accession_date 2014-06-04 _Entry.Last_release_date 2014-10-27 _Entry.Original_release_date 2014-10-27 _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 _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 Stephen Matthews . J. . 25001 2 Yi Yang . . . 25001 3 Andrea Berry . A. . 25001 4 Nathalia Pakharukova . . . 25001 5 James Garnett . A. . 25001 6 Wei-chao Lee . . . 25001 7 Ernesto Cota . . . 25001 8 Bing Liu . . . 25001 9 S. Roy . . . 25001 10 Minna Tuittila . . . 25001 11 Jan Marchant . . . 25001 12 Keith Inman . G. . 25001 13 Fernando Ruiz-Perez . . . 25001 14 Inacio Mandomando . . . 25001 15 James Nataro . P. . 25001 16 Anton Zavialov . V. . 25001 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 'not applicable' 'not applicable' . 25001 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AAF . 25001 EAEC . 25001 Biofilm . 25001 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25001 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 923 25001 '13C chemical shifts' 595 25001 '15N chemical shifts' 134 25001 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 . . 2014-10-27 2014-06-04 original author . 25001 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4PHX AggB 25001 PDB 4PH8 AggA 25001 PDB 4OR1 AafB 25001 PDB 2MPV 'BMRB Entry Tracking System' 25001 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25001 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25232738 _Citation.Full_citation . _Citation.Title 'Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Pathog.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 9 _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 e1004404 _Citation.Page_last e1004404 _Citation.Year 2014 _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 Andrea Berry . A. . 25001 1 2 Yi Yang . . . 25001 1 3 Nathalia Pakharukova . . . 25001 1 4 James Garnett . A. . 25001 1 5 Wei-chao Lee . . . 25001 1 6 Ernesto Cota . . . 25001 1 7 Bing Liu . . . 25001 1 8 Jan Marchant . . . 25001 1 9 S. Roy . . . 25001 1 10 Minna Tuittila . . . 25001 1 11 Keith Inman . G. . 25001 1 12 Fernando Ruiz-Perez . . . 25001 1 13 Inacio Mandomando . . . 25001 1 14 James Nataro . P. . 25001 1 15 Anton Zavialov . V. . 25001 1 16 Stephen Matthews . J. . 25001 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25001 _Assembly.ID 1 _Assembly.Name 'aggregative adherence fimbriae' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25001 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25001 _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 ; NFCDITITPATNRDVNVDRS ANIDLSFTIRQPQRCADAGM RIKAWGEANHGQLLIKPQGG NKSAGFTLASPRFSYIPNNP ANIMNGFVLTNPGVYQLGMQ GSITPAIPLRPGLYEVVLNA ELVTNDNKQNATAVAKTATS TITVV ; _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 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15556.729 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16748 . AafA-dsc . . . . . 100.00 157 100.00 100.00 7.55e-101 . . . . 25001 1 2 no PDB 2MPV . "Structural Insight Into Host Recognition And Biofilm Formation By Aggregative Adherence Fimbriae Of Enteroaggregative Esherichi" . . . . . 100.00 145 100.00 100.00 1.35e-100 . . . . 25001 1 3 no GB AAB82330 . "major fimbrial subunit of aggregative adherence fimbria II AafA [Escherichia coli 042]" . . . . . 86.21 160 100.00 100.00 1.92e-87 . . . . 25001 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 13 ASN . 25001 1 2 14 PHE . 25001 1 3 15 CYS . 25001 1 4 16 ASP . 25001 1 5 17 ILE . 25001 1 6 18 THR . 25001 1 7 19 ILE . 25001 1 8 20 THR . 25001 1 9 21 PRO . 25001 1 10 22 ALA . 25001 1 11 23 THR . 25001 1 12 24 ASN . 25001 1 13 25 ARG . 25001 1 14 26 ASP . 25001 1 15 27 VAL . 25001 1 16 28 ASN . 25001 1 17 29 VAL . 25001 1 18 30 ASP . 25001 1 19 31 ARG . 25001 1 20 32 SER . 25001 1 21 33 ALA . 25001 1 22 34 ASN . 25001 1 23 35 ILE . 25001 1 24 36 ASP . 25001 1 25 37 LEU . 25001 1 26 38 SER . 25001 1 27 39 PHE . 25001 1 28 40 THR . 25001 1 29 41 ILE . 25001 1 30 42 ARG . 25001 1 31 43 GLN . 25001 1 32 44 PRO . 25001 1 33 45 GLN . 25001 1 34 46 ARG . 25001 1 35 47 CYS . 25001 1 36 48 ALA . 25001 1 37 49 ASP . 25001 1 38 50 ALA . 25001 1 39 51 GLY . 25001 1 40 52 MET . 25001 1 41 53 ARG . 25001 1 42 54 ILE . 25001 1 43 55 LYS . 25001 1 44 56 ALA . 25001 1 45 57 TRP . 25001 1 46 58 GLY . 25001 1 47 59 GLU . 25001 1 48 60 ALA . 25001 1 49 61 ASN . 25001 1 50 62 HIS . 25001 1 51 63 GLY . 25001 1 52 64 GLN . 25001 1 53 65 LEU . 25001 1 54 66 LEU . 25001 1 55 67 ILE . 25001 1 56 68 LYS . 25001 1 57 69 PRO . 25001 1 58 70 GLN . 25001 1 59 71 GLY . 25001 1 60 72 GLY . 25001 1 61 73 ASN . 25001 1 62 74 LYS . 25001 1 63 75 SER . 25001 1 64 76 ALA . 25001 1 65 77 GLY . 25001 1 66 78 PHE . 25001 1 67 79 THR . 25001 1 68 80 LEU . 25001 1 69 81 ALA . 25001 1 70 82 SER . 25001 1 71 83 PRO . 25001 1 72 84 ARG . 25001 1 73 85 PHE . 25001 1 74 86 SER . 25001 1 75 87 TYR . 25001 1 76 88 ILE . 25001 1 77 89 PRO . 25001 1 78 90 ASN . 25001 1 79 91 ASN . 25001 1 80 92 PRO . 25001 1 81 93 ALA . 25001 1 82 94 ASN . 25001 1 83 95 ILE . 25001 1 84 96 MET . 25001 1 85 97 ASN . 25001 1 86 98 GLY . 25001 1 87 99 PHE . 25001 1 88 100 VAL . 25001 1 89 101 LEU . 25001 1 90 102 THR . 25001 1 91 103 ASN . 25001 1 92 104 PRO . 25001 1 93 105 GLY . 25001 1 94 106 VAL . 25001 1 95 107 TYR . 25001 1 96 108 GLN . 25001 1 97 109 LEU . 25001 1 98 110 GLY . 25001 1 99 111 MET . 25001 1 100 112 GLN . 25001 1 101 113 GLY . 25001 1 102 114 SER . 25001 1 103 115 ILE . 25001 1 104 116 THR . 25001 1 105 117 PRO . 25001 1 106 118 ALA . 25001 1 107 119 ILE . 25001 1 108 120 PRO . 25001 1 109 121 LEU . 25001 1 110 122 ARG . 25001 1 111 123 PRO . 25001 1 112 124 GLY . 25001 1 113 125 LEU . 25001 1 114 126 TYR . 25001 1 115 127 GLU . 25001 1 116 128 VAL . 25001 1 117 129 VAL . 25001 1 118 130 LEU . 25001 1 119 131 ASN . 25001 1 120 132 ALA . 25001 1 121 133 GLU . 25001 1 122 134 LEU . 25001 1 123 135 VAL . 25001 1 124 136 THR . 25001 1 125 137 ASN . 25001 1 126 138 ASP . 25001 1 127 139 ASN . 25001 1 128 140 LYS . 25001 1 129 141 GLN . 25001 1 130 142 ASN . 25001 1 131 143 ALA . 25001 1 132 144 THR . 25001 1 133 145 ALA . 25001 1 134 146 VAL . 25001 1 135 147 ALA . 25001 1 136 148 LYS . 25001 1 137 149 THR . 25001 1 138 150 ALA . 25001 1 139 151 THR . 25001 1 140 152 SER . 25001 1 141 153 THR . 25001 1 142 154 ILE . 25001 1 143 155 THR . 25001 1 144 156 VAL . 25001 1 145 157 VAL . 25001 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 . ASN 1 1 25001 1 . PHE 2 2 25001 1 . CYS 3 3 25001 1 . ASP 4 4 25001 1 . ILE 5 5 25001 1 . THR 6 6 25001 1 . ILE 7 7 25001 1 . THR 8 8 25001 1 . PRO 9 9 25001 1 . ALA 10 10 25001 1 . THR 11 11 25001 1 . ASN 12 12 25001 1 . ARG 13 13 25001 1 . ASP 14 14 25001 1 . VAL 15 15 25001 1 . ASN 16 16 25001 1 . VAL 17 17 25001 1 . ASP 18 18 25001 1 . ARG 19 19 25001 1 . SER 20 20 25001 1 . ALA 21 21 25001 1 . ASN 22 22 25001 1 . ILE 23 23 25001 1 . ASP 24 24 25001 1 . LEU 25 25 25001 1 . SER 26 26 25001 1 . PHE 27 27 25001 1 . THR 28 28 25001 1 . ILE 29 29 25001 1 . ARG 30 30 25001 1 . GLN 31 31 25001 1 . PRO 32 32 25001 1 . GLN 33 33 25001 1 . ARG 34 34 25001 1 . CYS 35 35 25001 1 . ALA 36 36 25001 1 . ASP 37 37 25001 1 . ALA 38 38 25001 1 . GLY 39 39 25001 1 . MET 40 40 25001 1 . ARG 41 41 25001 1 . ILE 42 42 25001 1 . LYS 43 43 25001 1 . ALA 44 44 25001 1 . TRP 45 45 25001 1 . GLY 46 46 25001 1 . GLU 47 47 25001 1 . ALA 48 48 25001 1 . ASN 49 49 25001 1 . HIS 50 50 25001 1 . GLY 51 51 25001 1 . GLN 52 52 25001 1 . LEU 53 53 25001 1 . LEU 54 54 25001 1 . ILE 55 55 25001 1 . LYS 56 56 25001 1 . PRO 57 57 25001 1 . GLN 58 58 25001 1 . GLY 59 59 25001 1 . GLY 60 60 25001 1 . ASN 61 61 25001 1 . LYS 62 62 25001 1 . SER 63 63 25001 1 . ALA 64 64 25001 1 . GLY 65 65 25001 1 . PHE 66 66 25001 1 . THR 67 67 25001 1 . LEU 68 68 25001 1 . ALA 69 69 25001 1 . SER 70 70 25001 1 . PRO 71 71 25001 1 . ARG 72 72 25001 1 . PHE 73 73 25001 1 . SER 74 74 25001 1 . TYR 75 75 25001 1 . ILE 76 76 25001 1 . PRO 77 77 25001 1 . ASN 78 78 25001 1 . ASN 79 79 25001 1 . PRO 80 80 25001 1 . ALA 81 81 25001 1 . ASN 82 82 25001 1 . ILE 83 83 25001 1 . MET 84 84 25001 1 . ASN 85 85 25001 1 . GLY 86 86 25001 1 . PHE 87 87 25001 1 . VAL 88 88 25001 1 . LEU 89 89 25001 1 . THR 90 90 25001 1 . ASN 91 91 25001 1 . PRO 92 92 25001 1 . GLY 93 93 25001 1 . VAL 94 94 25001 1 . TYR 95 95 25001 1 . GLN 96 96 25001 1 . LEU 97 97 25001 1 . GLY 98 98 25001 1 . MET 99 99 25001 1 . GLN 100 100 25001 1 . GLY 101 101 25001 1 . SER 102 102 25001 1 . ILE 103 103 25001 1 . THR 104 104 25001 1 . PRO 105 105 25001 1 . ALA 106 106 25001 1 . ILE 107 107 25001 1 . PRO 108 108 25001 1 . LEU 109 109 25001 1 . ARG 110 110 25001 1 . PRO 111 111 25001 1 . GLY 112 112 25001 1 . LEU 113 113 25001 1 . TYR 114 114 25001 1 . GLU 115 115 25001 1 . VAL 116 116 25001 1 . VAL 117 117 25001 1 . LEU 118 118 25001 1 . ASN 119 119 25001 1 . ALA 120 120 25001 1 . GLU 121 121 25001 1 . LEU 122 122 25001 1 . VAL 123 123 25001 1 . THR 124 124 25001 1 . ASN 125 125 25001 1 . ASP 126 126 25001 1 . ASN 127 127 25001 1 . LYS 128 128 25001 1 . GLN 129 129 25001 1 . ASN 130 130 25001 1 . ALA 131 131 25001 1 . THR 132 132 25001 1 . ALA 133 133 25001 1 . VAL 134 134 25001 1 . ALA 135 135 25001 1 . LYS 136 136 25001 1 . THR 137 137 25001 1 . ALA 138 138 25001 1 . THR 139 139 25001 1 . SER 140 140 25001 1 . THR 141 141 25001 1 . ILE 142 142 25001 1 . THR 143 143 25001 1 . VAL 144 144 25001 1 . VAL 145 145 25001 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25001 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 25001 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 25001 _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 . . . . . . . . . . . . . . . . pQE-30 . . . . . . 25001 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25001 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 25001 1 2 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 200 . . uM . . . . 25001 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25001 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25001 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 25001 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 25001 _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 25001 1 pH 5 . pH 25001 1 pressure 1 . atm 25001 1 'ionic strength' 50 . mM 25001 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25001 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25001 1 'Linge, O'Donoghue and Nilges' . . 25001 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25001 1 'structure solution' 25001 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25001 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 25001 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 25001 _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 DRX . 600 . . . 25001 1 2 spectrometer_2 Bruker DRX . 800 . . . 25001 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 25001 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25001 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25001 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25001 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25001 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25001 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25001 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25001 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25001 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25001 1 10 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25001 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25001 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 25001 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25001 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25001 1 H 1 water protons . . . . ppm 4.8 internal direct 1.000000000 . . . . . . . . . 25001 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 25001 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25001 1 2 '3D CBCA(CO)NH' . . . 25001 1 3 '3D C(CO)NH' . . . 25001 1 4 '3D HNCACB' . . . 25001 1 5 '3D HBHA(CO)NH' . . . 25001 1 6 '3D HN(CO)CA' . . . 25001 1 7 '3D HCCH-TOCSY' . . . 25001 1 8 '3D 1H-15N NOESY' . . . 25001 1 9 '3D 1H-13C NOESY' . . . 25001 1 11 '3D H(CCO)NH' . . . 25001 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN H H 1 8.524 . . . . . . . 13 ASN HN . 25001 1 2 . 1 1 1 1 ASN HA H 1 4.729 . . . . . . . 13 ASN HA . 25001 1 3 . 1 1 1 1 ASN HB2 H 1 2.736 . . . . . . . 13 ASN HB2 . 25001 1 4 . 1 1 1 1 ASN HB3 H 1 2.736 . . . . . . . 13 ASN HB3 . 25001 1 5 . 1 1 1 1 ASN C C 13 174.663 . . . . . . . 13 ASN C . 25001 1 6 . 1 1 1 1 ASN CA C 13 53.031 . . . . . . . 13 ASN CA . 25001 1 7 . 1 1 1 1 ASN CB C 13 39.003 . . . . . . . 13 ASN CB . 25001 1 8 . 1 1 1 1 ASN N N 15 120.741 . . . . . . . 13 ASN N . 25001 1 9 . 1 1 2 2 PHE H H 1 8.075 . . . . . . . 14 PHE HN . 25001 1 10 . 1 1 2 2 PHE HA H 1 4.519 . . . . . . . 14 PHE HA . 25001 1 11 . 1 1 2 2 PHE HB2 H 1 3.065 . . . . . . . 14 PHE HB2 . 25001 1 12 . 1 1 2 2 PHE HB3 H 1 3.055 . . . . . . . 14 PHE HB3 . 25001 1 13 . 1 1 2 2 PHE HD1 H 1 7.15 . . . . . . . 14 PHE HD1 . 25001 1 14 . 1 1 2 2 PHE HD2 H 1 7.147 . . . . . . . 14 PHE HD2 . 25001 1 15 . 1 1 2 2 PHE HE1 H 1 6.749 . . . . . . . 14 PHE HE1 . 25001 1 16 . 1 1 2 2 PHE HE2 H 1 6.749 . . . . . . . 14 PHE HE2 . 25001 1 17 . 1 1 2 2 PHE C C 13 175.678 . . . . . . . 14 PHE C . 25001 1 18 . 1 1 2 2 PHE CA C 13 58.179 . . . . . . . 14 PHE CA . 25001 1 19 . 1 1 2 2 PHE CB C 13 39.213 . . . . . . . 14 PHE CB . 25001 1 20 . 1 1 2 2 PHE CD1 C 13 132 . . . . . . . 14 PHE CD1 . 25001 1 21 . 1 1 2 2 PHE CD2 C 13 132 . . . . . . . 14 PHE CD2 . 25001 1 22 . 1 1 2 2 PHE CE1 C 13 132.84 . . . . . . . 14 PHE CE1 . 25001 1 23 . 1 1 2 2 PHE CE2 C 13 132.84 . . . . . . . 14 PHE CE2 . 25001 1 24 . 1 1 2 2 PHE N N 15 120.323 . . . . . . . 14 PHE N . 25001 1 25 . 1 1 3 3 CYS H H 1 8.311 . . . . . . . 15 CYS HN . 25001 1 26 . 1 1 3 3 CYS HA H 1 4.575 . . . . . . . 15 CYS HA . 25001 1 27 . 1 1 3 3 CYS HB2 H 1 2.768 . . . . . . . 15 CYS HB2 . 25001 1 28 . 1 1 3 3 CYS HB3 H 1 2.878 . . . . . . . 15 CYS HB3 . 25001 1 29 . 1 1 3 3 CYS C C 13 171.470 . . . . . . . 15 CYS C . 25001 1 30 . 1 1 3 3 CYS CA C 13 56.314 . . . . . . . 15 CYS CA . 25001 1 31 . 1 1 3 3 CYS CB C 13 44.599 . . . . . . . 15 CYS CB . 25001 1 32 . 1 1 3 3 CYS N N 15 121.434 . . . . . . . 15 CYS N . 25001 1 33 . 1 1 4 4 ASP H H 1 7.538 . . . . . . . 16 ASP HN . 25001 1 34 . 1 1 4 4 ASP HA H 1 4.792 . . . . . . . 16 ASP HA . 25001 1 35 . 1 1 4 4 ASP HB2 H 1 2.58 . . . . . . . 16 ASP HB2 . 25001 1 36 . 1 1 4 4 ASP HB3 H 1 2.588 . . . . . . . 16 ASP HB3 . 25001 1 37 . 1 1 4 4 ASP C C 13 174.529 . . . . . . . 16 ASP C . 25001 1 38 . 1 1 4 4 ASP CA C 13 52.396 . . . . . . . 16 ASP CA . 25001 1 39 . 1 1 4 4 ASP CB C 13 43.7 . . . . . . . 16 ASP CB . 25001 1 40 . 1 1 4 4 ASP N N 15 120.954 . . . . . . . 16 ASP N . 25001 1 41 . 1 1 5 5 ILE H H 1 8.582 . . . . . . . 17 ILE HN . 25001 1 42 . 1 1 5 5 ILE HA H 1 5.132 . . . . . . . 17 ILE HA . 25001 1 43 . 1 1 5 5 ILE HB H 1 1.517 . . . . . . . 17 ILE HB . 25001 1 44 . 1 1 5 5 ILE HG12 H 1 1.419 . . . . . . . 17 ILE HG12 . 25001 1 45 . 1 1 5 5 ILE HG13 H 1 1.419 . . . . . . . 17 ILE HG13 . 25001 1 46 . 1 1 5 5 ILE HG21 H 1 0.783 . . . . . . . 17 ILE HG21 . 25001 1 47 . 1 1 5 5 ILE HG22 H 1 0.783 . . . . . . . 17 ILE HG21 . 25001 1 48 . 1 1 5 5 ILE HG23 H 1 0.783 . . . . . . . 17 ILE HG21 . 25001 1 49 . 1 1 5 5 ILE HD11 H 1 0.642 . . . . . . . 17 ILE HD11 . 25001 1 50 . 1 1 5 5 ILE HD12 H 1 0.642 . . . . . . . 17 ILE HD11 . 25001 1 51 . 1 1 5 5 ILE HD13 H 1 0.642 . . . . . . . 17 ILE HD11 . 25001 1 52 . 1 1 5 5 ILE C C 13 175.275 . . . . . . . 17 ILE C . 25001 1 53 . 1 1 5 5 ILE CA C 13 58.487 . . . . . . . 17 ILE CA . 25001 1 54 . 1 1 5 5 ILE CB C 13 41.825 . . . . . . . 17 ILE CB . 25001 1 55 . 1 1 5 5 ILE CG1 C 13 27.035 . . . . . . . 17 ILE CG1 . 25001 1 56 . 1 1 5 5 ILE CG2 C 13 19.414 . . . . . . . 17 ILE CG2 . 25001 1 57 . 1 1 5 5 ILE CD1 C 13 15.031 . . . . . . . 17 ILE CD1 . 25001 1 58 . 1 1 5 5 ILE N N 15 114.7 . . . . . . . 17 ILE N . 25001 1 59 . 1 1 6 6 THR H H 1 8.744 . . . . . . . 18 THR HN . 25001 1 60 . 1 1 6 6 THR HA H 1 4.554 . . . . . . . 18 THR HA . 25001 1 61 . 1 1 6 6 THR HB H 1 3.898 . . . . . . . 18 THR HB . 25001 1 62 . 1 1 6 6 THR HG21 H 1 1.145 . . . . . . . 18 THR HG21 . 25001 1 63 . 1 1 6 6 THR HG22 H 1 1.145 . . . . . . . 18 THR HG21 . 25001 1 64 . 1 1 6 6 THR HG23 H 1 1.145 . . . . . . . 18 THR HG21 . 25001 1 65 . 1 1 6 6 THR C C 13 174.126 . . . . . . . 18 THR C . 25001 1 66 . 1 1 6 6 THR CA C 13 61.537 . . . . . . . 18 THR CA . 25001 1 67 . 1 1 6 6 THR CB C 13 71.237 . . . . . . . 18 THR CB . 25001 1 68 . 1 1 6 6 THR CG2 C 13 21.838 . . . . . . . 18 THR CG2 . 25001 1 69 . 1 1 6 6 THR N N 15 116.491 . . . . . . . 18 THR N . 25001 1 70 . 1 1 7 7 ILE H H 1 9.207 . . . . . . . 19 ILE HN . 25001 1 71 . 1 1 7 7 ILE HA H 1 4.858 . . . . . . . 19 ILE HA . 25001 1 72 . 1 1 7 7 ILE HB H 1 1.703 . . . . . . . 19 ILE HB . 25001 1 73 . 1 1 7 7 ILE HG12 H 1 1.45 . . . . . . . 19 ILE HG12 . 25001 1 74 . 1 1 7 7 ILE HG13 H 1 1.411 . . . . . . . 19 ILE HG13 . 25001 1 75 . 1 1 7 7 ILE HG21 H 1 0.766 . . . . . . . 19 ILE HG21 . 25001 1 76 . 1 1 7 7 ILE HG22 H 1 0.766 . . . . . . . 19 ILE HG21 . 25001 1 77 . 1 1 7 7 ILE HG23 H 1 0.766 . . . . . . . 19 ILE HG21 . 25001 1 78 . 1 1 7 7 ILE HD11 H 1 0.633 . . . . . . . 19 ILE HD11 . 25001 1 79 . 1 1 7 7 ILE HD12 H 1 0.633 . . . . . . . 19 ILE HD11 . 25001 1 80 . 1 1 7 7 ILE HD13 H 1 0.633 . . . . . . . 19 ILE HD11 . 25001 1 81 . 1 1 7 7 ILE C C 13 175.335 . . . . . . . 19 ILE C . 25001 1 82 . 1 1 7 7 ILE CA C 13 60.119 . . . . . . . 19 ILE CA . 25001 1 83 . 1 1 7 7 ILE CB C 13 40.644 . . . . . . . 19 ILE CB . 25001 1 84 . 1 1 7 7 ILE CG1 C 13 27.035 . . . . . . . 19 ILE CG1 . 25001 1 85 . 1 1 7 7 ILE CG2 C 13 18.235 . . . . . . . 19 ILE CG2 . 25001 1 86 . 1 1 7 7 ILE CD1 C 13 14.515 . . . . . . . 19 ILE CD1 . 25001 1 87 . 1 1 7 7 ILE N N 15 126.731 . . . . . . . 19 ILE N . 25001 1 88 . 1 1 8 8 THR H H 1 9.639 . . . . . . . 20 THR HN . 25001 1 89 . 1 1 8 8 THR HA H 1 4.839 . . . . . . . 20 THR HA . 25001 1 90 . 1 1 8 8 THR HB H 1 4.056 . . . . . . . 20 THR HB . 25001 1 91 . 1 1 8 8 THR HG21 H 1 1.24 . . . . . . . 20 THR HG21 . 25001 1 92 . 1 1 8 8 THR HG22 H 1 1.24 . . . . . . . 20 THR HG21 . 25001 1 93 . 1 1 8 8 THR HG23 H 1 1.24 . . . . . . . 20 THR HG21 . 25001 1 94 . 1 1 8 8 THR C C 13 173.037 . . . . . . . 20 THR C . 25001 1 95 . 1 1 8 8 THR CA C 13 59.718 . . . . . . . 20 THR CA . 25001 1 96 . 1 1 8 8 THR CB C 13 69.745 . . . . . . . 20 THR CB . 25001 1 97 . 1 1 8 8 THR CG2 C 13 20.7 . . . . . . . 20 THR CG2 . 25001 1 98 . 1 1 8 8 THR N N 15 126.547 . . . . . . . 20 THR N . 25001 1 99 . 1 1 9 9 PRO HA H 1 4.024 . . . . . . . 21 PRO HA . 25001 1 100 . 1 1 9 9 PRO HB2 H 1 1.817 . . . . . . . 21 PRO HB2 . 25001 1 101 . 1 1 9 9 PRO HB3 H 1 2.525 . . . . . . . 21 PRO HB3 . 25001 1 102 . 1 1 9 9 PRO HG2 H 1 1.906 . . . . . . . 21 PRO HG2 . 25001 1 103 . 1 1 9 9 PRO HG3 H 1 1.906 . . . . . . . 21 PRO HG3 . 25001 1 104 . 1 1 9 9 PRO HD2 H 1 3.65 . . . . . . . 21 PRO HD2 . 25001 1 105 . 1 1 9 9 PRO HD3 H 1 3.72 . . . . . . . 21 PRO HD3 . 25001 1 106 . 1 1 9 9 PRO CA C 13 65.2 . . . . . . . 21 PRO CA . 25001 1 107 . 1 1 9 9 PRO CB C 13 32.1 . . . . . . . 21 PRO CB . 25001 1 108 . 1 1 9 9 PRO CG C 13 27.85 . . . . . . . 21 PRO CG . 25001 1 109 . 1 1 9 9 PRO CD C 13 51.442 . . . . . . . 21 PRO CD . 25001 1 110 . 1 1 10 10 ALA HA H 1 4.108 . . . . . . . 22 ALA HA . 25001 1 111 . 1 1 10 10 ALA HB1 H 1 0.829 . . . . . . . 22 ALA HB3 . 25001 1 112 . 1 1 10 10 ALA HB2 H 1 0.829 . . . . . . . 22 ALA HB3 . 25001 1 113 . 1 1 10 10 ALA HB3 H 1 0.829 . . . . . . . 22 ALA HB3 . 25001 1 114 . 1 1 10 10 ALA C C 13 178.125 . . . . . . . 22 ALA C . 25001 1 115 . 1 1 10 10 ALA CA C 13 51.762 . . . . . . . 22 ALA CA . 25001 1 116 . 1 1 10 10 ALA CB C 13 19.080 . . . . . . . 22 ALA CB . 25001 1 117 . 1 1 11 11 THR H H 1 8.134 . . . . . . . 23 THR HN . 25001 1 118 . 1 1 11 11 THR HA H 1 3.92 . . . . . . . 23 THR HA . 25001 1 119 . 1 1 11 11 THR HB H 1 3.985 . . . . . . . 23 THR HB . 25001 1 120 . 1 1 11 11 THR HG21 H 1 1.350 . . . . . . . 23 THR HG21 . 25001 1 121 . 1 1 11 11 THR HG22 H 1 1.350 . . . . . . . 23 THR HG21 . 25001 1 122 . 1 1 11 11 THR HG23 H 1 1.350 . . . . . . . 23 THR HG21 . 25001 1 123 . 1 1 11 11 THR C C 13 173.858 . . . . . . . 23 THR C . 25001 1 124 . 1 1 11 11 THR CA C 13 63.552 . . . . . . . 23 THR CA . 25001 1 125 . 1 1 11 11 THR CB C 13 69.447 . . . . . . . 23 THR CB . 25001 1 126 . 1 1 11 11 THR CG2 C 13 22.247 . . . . . . . 23 THR CG2 . 25001 1 127 . 1 1 11 11 THR N N 15 118.780 . . . . . . . 23 THR N . 25001 1 128 . 1 1 12 12 ASN H H 1 8.498 . . . . . . . 24 ASN HN . 25001 1 129 . 1 1 12 12 ASN HA H 1 4.762 . . . . . . . 24 ASN HA . 25001 1 130 . 1 1 12 12 ASN HB2 H 1 2.794 . . . . . . . 24 ASN HB2 . 25001 1 131 . 1 1 12 12 ASN HB3 H 1 2.926 . . . . . . . 24 ASN HB3 . 25001 1 132 . 1 1 12 12 ASN C C 13 175.469 . . . . . . . 24 ASN C . 25001 1 133 . 1 1 12 12 ASN CA C 13 54.001 . . . . . . . 24 ASN CA . 25001 1 134 . 1 1 12 12 ASN CB C 13 38.107 . . . . . . . 24 ASN CB . 25001 1 135 . 1 1 12 12 ASN N N 15 125.639 . . . . . . . 24 ASN N . 25001 1 136 . 1 1 13 13 ARG H H 1 7.528 . . . . . . . 25 ARG HN . 25001 1 137 . 1 1 13 13 ARG HA H 1 4.809 . . . . . . . 25 ARG HA . 25001 1 138 . 1 1 13 13 ARG HB2 H 1 1.802 . . . . . . . 25 ARG HB2 . 25001 1 139 . 1 1 13 13 ARG HB3 H 1 1.807 . . . . . . . 25 ARG HB3 . 25001 1 140 . 1 1 13 13 ARG HG2 H 1 1.395 . . . . . . . 25 ARG HG2 . 25001 1 141 . 1 1 13 13 ARG HG3 H 1 1.544 . . . . . . . 25 ARG HG3 . 25001 1 142 . 1 1 13 13 ARG HD2 H 1 3.006 . . . . . . . 25 ARG HD2 . 25001 1 143 . 1 1 13 13 ARG HD3 H 1 3.006 . . . . . . . 25 ARG HD3 . 25001 1 144 . 1 1 13 13 ARG C C 13 173.678 . . . . . . . 25 ARG C . 25001 1 145 . 1 1 13 13 ARG CA C 13 54.896 . . . . . . . 25 ARG CA . 25001 1 146 . 1 1 13 13 ARG CB C 13 33.182 . . . . . . . 25 ARG CB . 25001 1 147 . 1 1 13 13 ARG CG C 13 25.039 . . . . . . . 25 ARG CG . 25001 1 148 . 1 1 13 13 ARG CD C 13 42.369 . . . . . . . 25 ARG CD . 25001 1 149 . 1 1 13 13 ARG N N 15 116.575 . . . . . . . 25 ARG N . 25001 1 150 . 1 1 14 14 ASP H H 1 8.368 . . . . . . . 26 ASP HN . 25001 1 151 . 1 1 14 14 ASP HA H 1 4.804 . . . . . . . 26 ASP HA . 25001 1 152 . 1 1 14 14 ASP HB2 H 1 2.52 . . . . . . . 26 ASP HB2 . 25001 1 153 . 1 1 14 14 ASP HB3 H 1 2.61 . . . . . . . 26 ASP HB3 . 25001 1 154 . 1 1 14 14 ASP C C 13 176.379 . . . . . . . 26 ASP C . 25001 1 155 . 1 1 14 14 ASP CA C 13 52.803 . . . . . . . 26 ASP CA . 25001 1 156 . 1 1 14 14 ASP CB C 13 41.008 . . . . . . . 26 ASP CB . 25001 1 157 . 1 1 14 14 ASP N N 15 120.890 . . . . . . . 26 ASP N . 25001 1 158 . 1 1 15 15 VAL H H 1 8.36 . . . . . . . 27 VAL HN . 25001 1 159 . 1 1 15 15 VAL HA H 1 3.364 . . . . . . . 27 VAL HA . 25001 1 160 . 1 1 15 15 VAL HB H 1 1.931 . . . . . . . 27 VAL HB . 25001 1 161 . 1 1 15 15 VAL HG11 H 1 0.956 . . . . . . . 27 VAL HG13 . 25001 1 162 . 1 1 15 15 VAL HG12 H 1 0.956 . . . . . . . 27 VAL HG13 . 25001 1 163 . 1 1 15 15 VAL HG13 H 1 0.956 . . . . . . . 27 VAL HG13 . 25001 1 164 . 1 1 15 15 VAL HG21 H 1 0.436 . . . . . . . 27 VAL HG21 . 25001 1 165 . 1 1 15 15 VAL HG22 H 1 0.436 . . . . . . . 27 VAL HG21 . 25001 1 166 . 1 1 15 15 VAL HG23 H 1 0.436 . . . . . . . 27 VAL HG21 . 25001 1 167 . 1 1 15 15 VAL C C 13 173.280 . . . . . . . 27 VAL C . 25001 1 168 . 1 1 15 15 VAL CA C 13 66.033 . . . . . . . 27 VAL CA . 25001 1 169 . 1 1 15 15 VAL CB C 13 32.116 . . . . . . . 27 VAL CB . 25001 1 170 . 1 1 15 15 VAL CG1 C 13 22.499 . . . . . . . 27 VAL CG1 . 25001 1 171 . 1 1 15 15 VAL CG2 C 13 21.138 . . . . . . . 27 VAL CG2 . 25001 1 172 . 1 1 15 15 VAL N N 15 119.764 . . . . . . . 27 VAL N . 25001 1 173 . 1 1 16 16 ASN H H 1 8.260 . . . . . . . 28 ASN HN . 25001 1 174 . 1 1 16 16 ASN HA H 1 5.764 . . . . . . . 28 ASN HA . 25001 1 175 . 1 1 16 16 ASN HB2 H 1 2.5 . . . . . . . 28 ASN HB2 . 25001 1 176 . 1 1 16 16 ASN HB3 H 1 2.5 . . . . . . . 28 ASN HB3 . 25001 1 177 . 1 1 16 16 ASN C C 13 176.179 . . . . . . . 28 ASN C . 25001 1 178 . 1 1 16 16 ASN CA C 13 52.732 . . . . . . . 28 ASN CA . 25001 1 179 . 1 1 16 16 ASN CB C 13 41.462 . . . . . . . 28 ASN CB . 25001 1 180 . 1 1 16 16 ASN N N 15 120.599 . . . . . . . 28 ASN N . 25001 1 181 . 1 1 17 17 VAL H H 1 9.312 . . . . . . . 29 VAL HN . 25001 1 182 . 1 1 17 17 VAL HA H 1 4.45 . . . . . . . 29 VAL HA . 25001 1 183 . 1 1 17 17 VAL HB H 1 1.931 . . . . . . . 29 VAL HB . 25001 1 184 . 1 1 17 17 VAL HG11 H 1 0.653 . . . . . . . 29 VAL HG13 . 25001 1 185 . 1 1 17 17 VAL HG12 H 1 0.653 . . . . . . . 29 VAL HG13 . 25001 1 186 . 1 1 17 17 VAL HG13 H 1 0.653 . . . . . . . 29 VAL HG13 . 25001 1 187 . 1 1 17 17 VAL HG21 H 1 0.763 . . . . . . . 29 VAL HG21 . 25001 1 188 . 1 1 17 17 VAL HG22 H 1 0.763 . . . . . . . 29 VAL HG21 . 25001 1 189 . 1 1 17 17 VAL HG23 H 1 0.763 . . . . . . . 29 VAL HG21 . 25001 1 190 . 1 1 17 17 VAL C C 13 173.276 . . . . . . . 29 VAL C . 25001 1 191 . 1 1 17 17 VAL CA C 13 59.448 . . . . . . . 29 VAL CA . 25001 1 192 . 1 1 17 17 VAL CB C 13 35.383 . . . . . . . 29 VAL CB . 25001 1 193 . 1 1 17 17 VAL CG1 C 13 21.5 . . . . . . . 29 VAL CG1 . 25001 1 194 . 1 1 17 17 VAL CG2 C 13 21.8 . . . . . . . 29 VAL CG2 . 25001 1 195 . 1 1 17 17 VAL N N 15 118.383 . . . . . . . 29 VAL N . 25001 1 196 . 1 1 18 18 ASP H H 1 8.168 . . . . . . . 30 ASP HN . 25001 1 197 . 1 1 18 18 ASP HA H 1 4.789 . . . . . . . 30 ASP HA . 25001 1 198 . 1 1 18 18 ASP HB2 H 1 2.533 . . . . . . . 30 ASP HB2 . 25001 1 199 . 1 1 18 18 ASP HB3 H 1 2.617 . . . . . . . 30 ASP HB3 . 25001 1 200 . 1 1 18 18 ASP C C 13 174.275 . . . . . . . 30 ASP C . 25001 1 201 . 1 1 18 18 ASP CA C 13 53.105 . . . . . . . 30 ASP CA . 25001 1 202 . 1 1 18 18 ASP CB C 13 40.495 . . . . . . . 30 ASP CB . 25001 1 203 . 1 1 18 18 ASP N N 15 119.27 . . . . . . . 30 ASP N . 25001 1 204 . 1 1 19 19 ARG H H 1 8.227 . . . . . . . 31 ARG HN . 25001 1 205 . 1 1 19 19 ARG HA H 1 4.6 . . . . . . . 31 ARG HA . 25001 1 206 . 1 1 19 19 ARG HB2 H 1 1.826 . . . . . . . 31 ARG HB2 . 25001 1 207 . 1 1 19 19 ARG HB3 H 1 1.826 . . . . . . . 31 ARG HB3 . 25001 1 208 . 1 1 19 19 ARG HG2 H 1 1.492 . . . . . . . 31 ARG HG2 . 25001 1 209 . 1 1 19 19 ARG HG3 H 1 1.492 . . . . . . . 31 ARG HG3 . 25001 1 210 . 1 1 19 19 ARG HD2 H 1 3.016 . . . . . . . 31 ARG HD2 . 25001 1 211 . 1 1 19 19 ARG HD3 H 1 3.016 . . . . . . . 31 ARG HD3 . 25001 1 212 . 1 1 19 19 ARG C C 13 175.419 . . . . . . . 31 ARG C . 25001 1 213 . 1 1 19 19 ARG CA C 13 55.290 . . . . . . . 31 ARG CA . 25001 1 214 . 1 1 19 19 ARG CB C 13 32.421 . . . . . . . 31 ARG CB . 25001 1 215 . 1 1 19 19 ARG CG C 13 24.858 . . . . . . . 31 ARG CG . 25001 1 216 . 1 1 19 19 ARG CD C 13 42.097 . . . . . . . 31 ARG CD . 25001 1 217 . 1 1 19 19 ARG N N 15 122.114 . . . . . . . 31 ARG N . 25001 1 218 . 1 1 20 20 SER H H 1 8.676 . . . . . . . 32 SER HN . 25001 1 219 . 1 1 20 20 SER HA H 1 4.58 . . . . . . . 32 SER HA . 25001 1 220 . 1 1 20 20 SER HB2 H 1 3.782 . . . . . . . 32 SER HB2 . 25001 1 221 . 1 1 20 20 SER HB3 H 1 3.934 . . . . . . . 32 SER HB3 . 25001 1 222 . 1 1 20 20 SER C C 13 173.126 . . . . . . . 32 SER C . 25001 1 223 . 1 1 20 20 SER CA C 13 57.806 . . . . . . . 32 SER CA . 25001 1 224 . 1 1 20 20 SER CB C 13 64.596 . . . . . . . 32 SER CB . 25001 1 225 . 1 1 20 20 SER N N 15 113.02 . . . . . . . 32 SER N . 25001 1 226 . 1 1 21 21 ALA H H 1 7.509 . . . . . . . 33 ALA HN . 25001 1 227 . 1 1 21 21 ALA HA H 1 4.641 . . . . . . . 33 ALA HA . 25001 1 228 . 1 1 21 21 ALA HB1 H 1 1.388 . . . . . . . 33 ALA HB3 . 25001 1 229 . 1 1 21 21 ALA HB2 H 1 1.388 . . . . . . . 33 ALA HB3 . 25001 1 230 . 1 1 21 21 ALA HB3 H 1 1.388 . . . . . . . 33 ALA HB3 . 25001 1 231 . 1 1 21 21 ALA C C 13 176.782 . . . . . . . 33 ALA C . 25001 1 232 . 1 1 21 21 ALA CA C 13 50.643 . . . . . . . 33 ALA CA . 25001 1 233 . 1 1 21 21 ALA CB C 13 22.363 . . . . . . . 33 ALA CB . 25001 1 234 . 1 1 21 21 ALA N N 15 123.281 . . . . . . . 33 ALA N . 25001 1 235 . 1 1 22 22 ASN H H 1 8.839 . . . . . . . 34 ASN HN . 25001 1 236 . 1 1 22 22 ASN HA H 1 4.701 . . . . . . . 34 ASN HA . 25001 1 237 . 1 1 22 22 ASN HB2 H 1 2.770 . . . . . . . 34 ASN HB2 . 25001 1 238 . 1 1 22 22 ASN HB3 H 1 2.85 . . . . . . . 34 ASN HB3 . 25001 1 239 . 1 1 22 22 ASN C C 13 175.051 . . . . . . . 34 ASN C . 25001 1 240 . 1 1 22 22 ASN CA C 13 53.255 . . . . . . . 34 ASN CA . 25001 1 241 . 1 1 22 22 ASN CB C 13 38.779 . . . . . . . 34 ASN CB . 25001 1 242 . 1 1 22 22 ASN N N 15 120.485 . . . . . . . 34 ASN N . 25001 1 243 . 1 1 23 23 ILE H H 1 8.164 . . . . . . . 35 ILE HN . 25001 1 244 . 1 1 23 23 ILE HA H 1 4.272 . . . . . . . 35 ILE HA . 25001 1 245 . 1 1 23 23 ILE HB H 1 1.752 . . . . . . . 35 ILE HB . 25001 1 246 . 1 1 23 23 ILE HG12 H 1 1.380 . . . . . . . 35 ILE HG12 . 25001 1 247 . 1 1 23 23 ILE HG13 H 1 1.380 . . . . . . . 35 ILE HG13 . 25001 1 248 . 1 1 23 23 ILE HG21 H 1 0.761 . . . . . . . 35 ILE HG21 . 25001 1 249 . 1 1 23 23 ILE HG22 H 1 0.761 . . . . . . . 35 ILE HG21 . 25001 1 250 . 1 1 23 23 ILE HG23 H 1 0.761 . . . . . . . 35 ILE HG21 . 25001 1 251 . 1 1 23 23 ILE HD11 H 1 0.717 . . . . . . . 35 ILE HD11 . 25001 1 252 . 1 1 23 23 ILE HD12 H 1 0.717 . . . . . . . 35 ILE HD11 . 25001 1 253 . 1 1 23 23 ILE HD13 H 1 0.717 . . . . . . . 35 ILE HD11 . 25001 1 254 . 1 1 23 23 ILE C C 13 174.499 . . . . . . . 35 ILE C . 25001 1 255 . 1 1 23 23 ILE CA C 13 59.299 . . . . . . . 35 ILE CA . 25001 1 256 . 1 1 23 23 ILE CB C 13 39.823 . . . . . . . 35 ILE CB . 25001 1 257 . 1 1 23 23 ILE CG1 C 13 26.854 . . . . . . . 35 ILE CG1 . 25001 1 258 . 1 1 23 23 ILE CG2 C 13 17.304 . . . . . . . 35 ILE CG2 . 25001 1 259 . 1 1 23 23 ILE CD1 C 13 13.154 . . . . . . . 35 ILE CD1 . 25001 1 260 . 1 1 23 23 ILE N N 15 120.581 . . . . . . . 35 ILE N . 25001 1 261 . 1 1 24 24 ASP H H 1 8.930 . . . . . . . 36 ASP HN . 25001 1 262 . 1 1 24 24 ASP HA H 1 4.969 . . . . . . . 36 ASP HA . 25001 1 263 . 1 1 24 24 ASP HB2 H 1 2.194 . . . . . . . 36 ASP HB2 . 25001 1 264 . 1 1 24 24 ASP HB3 H 1 2.494 . . . . . . . 36 ASP HB3 . 25001 1 265 . 1 1 24 24 ASP C C 13 174.753 . . . . . . . 36 ASP C . 25001 1 266 . 1 1 24 24 ASP CA C 13 54.150 . . . . . . . 36 ASP CA . 25001 1 267 . 1 1 24 24 ASP CB C 13 41.838 . . . . . . . 36 ASP CB . 25001 1 268 . 1 1 24 24 ASP N N 15 128.913 . . . . . . . 36 ASP N . 25001 1 269 . 1 1 25 25 LEU H H 1 8.898 . . . . . . . 37 LEU HN . 25001 1 270 . 1 1 25 25 LEU HA H 1 4.58 . . . . . . . 37 LEU HA . 25001 1 271 . 1 1 25 25 LEU HB2 H 1 1.135 . . . . . . . 37 LEU HB2 . 25001 1 272 . 1 1 25 25 LEU HB3 H 1 1.816 . . . . . . . 37 LEU HB3 . 25001 1 273 . 1 1 25 25 LEU HG H 1 1.56 . . . . . . . 37 LEU HG . 25001 1 274 . 1 1 25 25 LEU HD11 H 1 0.730 . . . . . . . 37 LEU HD11 . 25001 1 275 . 1 1 25 25 LEU HD12 H 1 0.730 . . . . . . . 37 LEU HD11 . 25001 1 276 . 1 1 25 25 LEU HD13 H 1 0.730 . . . . . . . 37 LEU HD11 . 25001 1 277 . 1 1 25 25 LEU HD21 H 1 0.730 . . . . . . . 37 LEU HD21 . 25001 1 278 . 1 1 25 25 LEU HD22 H 1 0.730 . . . . . . . 37 LEU HD21 . 25001 1 279 . 1 1 25 25 LEU HD23 H 1 0.730 . . . . . . . 37 LEU HD21 . 25001 1 280 . 1 1 25 25 LEU C C 13 174.544 . . . . . . . 37 LEU C . 25001 1 281 . 1 1 25 25 LEU CA C 13 53.852 . . . . . . . 37 LEU CA . 25001 1 282 . 1 1 25 25 LEU CB C 13 43.554 . . . . . . . 37 LEU CB . 25001 1 283 . 1 1 25 25 LEU CG C 13 26.763 . . . . . . . 37 LEU CG . 25001 1 284 . 1 1 25 25 LEU CD1 C 13 24.132 . . . . . . . 37 LEU CD1 . 25001 1 285 . 1 1 25 25 LEU CD2 C 13 24.132 . . . . . . . 37 LEU CD2 . 25001 1 286 . 1 1 25 25 LEU N N 15 123.662 . . . . . . . 37 LEU N . 25001 1 287 . 1 1 26 26 SER H H 1 8.243 . . . . . . . 38 SER HN . 25001 1 288 . 1 1 26 26 SER HA H 1 5.128 . . . . . . . 38 SER HA . 25001 1 289 . 1 1 26 26 SER HB2 H 1 3.581 . . . . . . . 38 SER HB2 . 25001 1 290 . 1 1 26 26 SER HB3 H 1 3.675 . . . . . . . 38 SER HB3 . 25001 1 291 . 1 1 26 26 SER C C 13 172.873 . . . . . . . 38 SER C . 25001 1 292 . 1 1 26 26 SER CA C 13 57.060 . . . . . . . 38 SER CA . 25001 1 293 . 1 1 26 26 SER CB C 13 64.522 . . . . . . . 38 SER CB . 25001 1 294 . 1 1 26 26 SER N N 15 116.813 . . . . . . . 38 SER N . 25001 1 295 . 1 1 27 27 PHE H H 1 9.087 . . . . . . . 39 PHE HN . 25001 1 296 . 1 1 27 27 PHE HA H 1 4.868 . . . . . . . 39 PHE HA . 25001 1 297 . 1 1 27 27 PHE HB2 H 1 2.512 . . . . . . . 39 PHE HB2 . 25001 1 298 . 1 1 27 27 PHE HB3 H 1 3.019 . . . . . . . 39 PHE HB3 . 25001 1 299 . 1 1 27 27 PHE HD1 H 1 7.05 . . . . . . . 39 PHE HD1 . 25001 1 300 . 1 1 27 27 PHE HD2 H 1 7.05 . . . . . . . 39 PHE HD2 . 25001 1 301 . 1 1 27 27 PHE HE1 H 1 7.262 . . . . . . . 39 PHE HE1 . 25001 1 302 . 1 1 27 27 PHE HE2 H 1 7.260 . . . . . . . 39 PHE HE2 . 25001 1 303 . 1 1 27 27 PHE C C 13 175.932 . . . . . . . 39 PHE C . 25001 1 304 . 1 1 27 27 PHE CA C 13 56.130 . . . . . . . 39 PHE CA . 25001 1 305 . 1 1 27 27 PHE CB C 13 43.480 . . . . . . . 39 PHE CB . 25001 1 306 . 1 1 27 27 PHE CD1 C 13 132.291 . . . . . . . 39 PHE CD1 . 25001 1 307 . 1 1 27 27 PHE CD2 C 13 132.291 . . . . . . . 39 PHE CD2 . 25001 1 308 . 1 1 27 27 PHE N N 15 124.134 . . . . . . . 39 PHE N . 25001 1 309 . 1 1 28 28 THR H H 1 8.319 . . . . . . . 40 THR HN . 25001 1 310 . 1 1 28 28 THR HA H 1 5.193 . . . . . . . 40 THR HA . 25001 1 311 . 1 1 28 28 THR HB H 1 3.819 . . . . . . . 40 THR HB . 25001 1 312 . 1 1 28 28 THR HG21 H 1 1.076 . . . . . . . 40 THR HG21 . 25001 1 313 . 1 1 28 28 THR HG22 H 1 1.076 . . . . . . . 40 THR HG21 . 25001 1 314 . 1 1 28 28 THR HG23 H 1 1.076 . . . . . . . 40 THR HG21 . 25001 1 315 . 1 1 28 28 THR C C 13 172.709 . . . . . . . 40 THR C . 25001 1 316 . 1 1 28 28 THR CA C 13 61.836 . . . . . . . 40 THR CA . 25001 1 317 . 1 1 28 28 THR CB C 13 71.014 . . . . . . . 40 THR CB . 25001 1 318 . 1 1 28 28 THR CG2 C 13 21.955 . . . . . . . 40 THR CG2 . 25001 1 319 . 1 1 28 28 THR N N 15 115.776 . . . . . . . 40 THR N . 25001 1 320 . 1 1 29 29 ILE H H 1 9.793 . . . . . . . 41 ILE HN . 25001 1 321 . 1 1 29 29 ILE HA H 1 4.913 . . . . . . . 41 ILE HA . 25001 1 322 . 1 1 29 29 ILE HB H 1 1.793 . . . . . . . 41 ILE HB . 25001 1 323 . 1 1 29 29 ILE HG12 H 1 1.428 . . . . . . . 41 ILE HG12 . 25001 1 324 . 1 1 29 29 ILE HG13 H 1 1.431 . . . . . . . 41 ILE HG13 . 25001 1 325 . 1 1 29 29 ILE HG21 H 1 0.806 . . . . . . . 41 ILE HG21 . 25001 1 326 . 1 1 29 29 ILE HG22 H 1 0.806 . . . . . . . 41 ILE HG21 . 25001 1 327 . 1 1 29 29 ILE HG23 H 1 0.806 . . . . . . . 41 ILE HG21 . 25001 1 328 . 1 1 29 29 ILE HD11 H 1 0.817 . . . . . . . 41 ILE HD11 . 25001 1 329 . 1 1 29 29 ILE HD12 H 1 0.817 . . . . . . . 41 ILE HD11 . 25001 1 330 . 1 1 29 29 ILE HD13 H 1 0.817 . . . . . . . 41 ILE HD11 . 25001 1 331 . 1 1 29 29 ILE C C 13 173.887 . . . . . . . 41 ILE C . 25001 1 332 . 1 1 29 29 ILE CA C 13 61.313 . . . . . . . 41 ILE CA . 25001 1 333 . 1 1 29 29 ILE CB C 13 41.258 . . . . . . . 41 ILE CB . 25001 1 334 . 1 1 29 29 ILE CG1 C 13 29.394 . . . . . . . 41 ILE CG1 . 25001 1 335 . 1 1 29 29 ILE CG2 C 13 21.138 . . . . . . . 41 ILE CG2 . 25001 1 336 . 1 1 29 29 ILE CD1 C 13 16.874 . . . . . . . 41 ILE CD1 . 25001 1 337 . 1 1 29 29 ILE N N 15 127.930 . . . . . . . 41 ILE N . 25001 1 338 . 1 1 30 30 ARG H H 1 8.702 . . . . . . . 42 ARG HN . 25001 1 339 . 1 1 30 30 ARG HA H 1 5.65 . . . . . . . 42 ARG HA . 25001 1 340 . 1 1 30 30 ARG HB2 H 1 1.880 . . . . . . . 42 ARG HB2 . 25001 1 341 . 1 1 30 30 ARG HB3 H 1 1.878 . . . . . . . 42 ARG HB3 . 25001 1 342 . 1 1 30 30 ARG HG2 H 1 1.664 . . . . . . . 42 ARG HG2 . 25001 1 343 . 1 1 30 30 ARG HG3 H 1 1.664 . . . . . . . 42 ARG HG3 . 25001 1 344 . 1 1 30 30 ARG HD2 H 1 3.293 . . . . . . . 42 ARG HD2 . 25001 1 345 . 1 1 30 30 ARG HD3 H 1 3.293 . . . . . . . 42 ARG HD3 . 25001 1 346 . 1 1 30 30 ARG C C 13 174.544 . . . . . . . 42 ARG C . 25001 1 347 . 1 1 30 30 ARG CA C 13 54.618 . . . . . . . 42 ARG CA . 25001 1 348 . 1 1 30 30 ARG CB C 13 35.496 . . . . . . . 42 ARG CB . 25001 1 349 . 1 1 30 30 ARG CG C 13 28.036 . . . . . . . 42 ARG CG . 25001 1 350 . 1 1 30 30 ARG CD C 13 43.496 . . . . . . . 42 ARG CD . 25001 1 351 . 1 1 30 30 ARG N N 15 125.168 . . . . . . . 42 ARG N . 25001 1 352 . 1 1 31 31 GLN H H 1 9.121 . . . . . . . 43 GLN HN . 25001 1 353 . 1 1 31 31 GLN HA H 1 5.53 . . . . . . . 43 GLN HA . 25001 1 354 . 1 1 31 31 GLN HB2 H 1 1.62 . . . . . . . 43 GLN HB2 . 25001 1 355 . 1 1 31 31 GLN HB3 H 1 2.49 . . . . . . . 43 GLN HB3 . 25001 1 356 . 1 1 31 31 GLN HG2 H 1 3.69 . . . . . . . 43 GLN HG2 . 25001 1 357 . 1 1 31 31 GLN HG3 H 1 4.44 . . . . . . . 43 GLN HG3 . 25001 1 358 . 1 1 31 31 GLN C C 13 172.768 . . . . . . . 43 GLN C . 25001 1 359 . 1 1 31 31 GLN CA C 13 52.6 . . . . . . . 43 GLN CA . 25001 1 360 . 1 1 31 31 GLN CB C 13 30.8 . . . . . . . 43 GLN CB . 25001 1 361 . 1 1 31 31 GLN CG C 13 51.08 . . . . . . . 43 GLN CG . 25001 1 362 . 1 1 31 31 GLN N N 15 120.385 . . . . . . . 43 GLN N . 25001 1 363 . 1 1 32 32 PRO HA H 1 4.492 . . . . . . . 44 PRO HA . 25001 1 364 . 1 1 32 32 PRO HB2 H 1 1.667 . . . . . . . 44 PRO HB2 . 25001 1 365 . 1 1 32 32 PRO HB3 H 1 2.6 . . . . . . . 44 PRO HB3 . 25001 1 366 . 1 1 32 32 PRO HG2 H 1 2.112 . . . . . . . 44 PRO HG2 . 25001 1 367 . 1 1 32 32 PRO HG3 H 1 2.106 . . . . . . . 44 PRO HG3 . 25001 1 368 . 1 1 32 32 PRO HD2 H 1 3.442 . . . . . . . 44 PRO HD2 . 25001 1 369 . 1 1 32 32 PRO HD3 H 1 3.438 . . . . . . . 44 PRO HD3 . 25001 1 370 . 1 1 32 32 PRO C C 13 178.931 . . . . . . . 44 PRO C . 25001 1 371 . 1 1 32 32 PRO CA C 13 62.806 . . . . . . . 44 PRO CA . 25001 1 372 . 1 1 32 32 PRO CB C 13 32.959 . . . . . . . 44 PRO CB . 25001 1 373 . 1 1 32 32 PRO CG C 13 28.759 . . . . . . . 44 PRO CG . 25001 1 374 . 1 1 32 32 PRO CD C 13 51.136 . . . . . . . 44 PRO CD . 25001 1 375 . 1 1 33 33 GLN H H 1 9.078 . . . . . . . 45 GLN HN . 25001 1 376 . 1 1 33 33 GLN HA H 1 3.487 . . . . . . . 45 GLN HA . 25001 1 377 . 1 1 33 33 GLN HB2 H 1 1.350 . . . . . . . 45 GLN HB2 . 25001 1 378 . 1 1 33 33 GLN HB3 H 1 1.784 . . . . . . . 45 GLN HB3 . 25001 1 379 . 1 1 33 33 GLN HG2 H 1 1.958 . . . . . . . 45 GLN HG2 . 25001 1 380 . 1 1 33 33 GLN HG3 H 1 1.957 . . . . . . . 45 GLN HG3 . 25001 1 381 . 1 1 33 33 GLN C C 13 177.797 . . . . . . . 45 GLN C . 25001 1 382 . 1 1 33 33 GLN CA C 13 60.567 . . . . . . . 45 GLN CA . 25001 1 383 . 1 1 33 33 GLN CB C 13 27.362 . . . . . . . 45 GLN CB . 25001 1 384 . 1 1 33 33 GLN CG C 13 33.477 . . . . . . . 45 GLN CG . 25001 1 385 . 1 1 33 33 GLN N N 15 128.711 . . . . . . . 45 GLN N . 25001 1 386 . 1 1 34 34 ARG H H 1 8.771 . . . . . . . 46 ARG HN . 25001 1 387 . 1 1 34 34 ARG HA H 1 4.213 . . . . . . . 46 ARG HA . 25001 1 388 . 1 1 34 34 ARG HB2 H 1 1.766 . . . . . . . 46 ARG HB2 . 25001 1 389 . 1 1 34 34 ARG HB3 H 1 1.879 . . . . . . . 46 ARG HB3 . 25001 1 390 . 1 1 34 34 ARG HG2 H 1 1.599 . . . . . . . 46 ARG HG2 . 25001 1 391 . 1 1 34 34 ARG HG3 H 1 1.665 . . . . . . . 46 ARG HG3 . 25001 1 392 . 1 1 34 34 ARG HD2 H 1 3.163 . . . . . . . 46 ARG HD2 . 25001 1 393 . 1 1 34 34 ARG HD3 H 1 3.163 . . . . . . . 46 ARG HD3 . 25001 1 394 . 1 1 34 34 ARG C C 13 178.617 . . . . . . . 46 ARG C . 25001 1 395 . 1 1 34 34 ARG CA C 13 58.552 . . . . . . . 46 ARG CA . 25001 1 396 . 1 1 34 34 ARG CB C 13 29.079 . . . . . . . 46 ARG CB . 25001 1 397 . 1 1 34 34 ARG CG C 13 27.035 . . . . . . . 46 ARG CG . 25001 1 398 . 1 1 34 34 ARG CD C 13 43.004 . . . . . . . 46 ARG CD . 25001 1 399 . 1 1 34 34 ARG N N 15 115.034 . . . . . . . 46 ARG N . 25001 1 400 . 1 1 35 35 CYS H H 1 7.236 . . . . . . . 47 CYS HN . 25001 1 401 . 1 1 35 35 CYS HA H 1 4.271 . . . . . . . 47 CYS HA . 25001 1 402 . 1 1 35 35 CYS HB2 H 1 3.150 . . . . . . . 47 CYS HB2 . 25001 1 403 . 1 1 35 35 CYS HB3 H 1 3.540 . . . . . . . 47 CYS HB3 . 25001 1 404 . 1 1 35 35 CYS C C 13 176.096 . . . . . . . 47 CYS C . 25001 1 405 . 1 1 35 35 CYS CA C 13 59.97 . . . . . . . 47 CYS CA . 25001 1 406 . 1 1 35 35 CYS CB C 13 42.883 . . . . . . . 47 CYS CB . 25001 1 407 . 1 1 35 35 CYS N N 15 120.327 . . . . . . . 47 CYS N . 25001 1 408 . 1 1 36 36 ALA H H 1 7.274 . . . . . . . 48 ALA HN . 25001 1 409 . 1 1 36 36 ALA HA H 1 4.573 . . . . . . . 48 ALA HA . 25001 1 410 . 1 1 36 36 ALA HB1 H 1 1.421 . . . . . . . 48 ALA HB3 . 25001 1 411 . 1 1 36 36 ALA HB2 H 1 1.421 . . . . . . . 48 ALA HB3 . 25001 1 412 . 1 1 36 36 ALA HB3 H 1 1.421 . . . . . . . 48 ALA HB3 . 25001 1 413 . 1 1 36 36 ALA CA C 13 54.523 . . . . . . . 48 ALA CA . 25001 1 414 . 1 1 36 36 ALA CB C 13 18.781 . . . . . . . 48 ALA CB . 25001 1 415 . 1 1 36 36 ALA N N 15 125.742 . . . . . . . 48 ALA N . 25001 1 416 . 1 1 37 37 ASP H H 1 8.808 . . . . . . . 49 ASP HN . 25001 1 417 . 1 1 37 37 ASP HA H 1 4.466 . . . . . . . 49 ASP HA . 25001 1 418 . 1 1 37 37 ASP HB2 H 1 2.648 . . . . . . . 49 ASP HB2 . 25001 1 419 . 1 1 37 37 ASP HB3 H 1 2.712 . . . . . . . 49 ASP HB3 . 25001 1 420 . 1 1 37 37 ASP C C 13 176.663 . . . . . . . 49 ASP C . 25001 1 421 . 1 1 37 37 ASP CA C 13 57.209 . . . . . . . 49 ASP CA . 25001 1 422 . 1 1 37 37 ASP CB C 13 40.047 . . . . . . . 49 ASP CB . 25001 1 423 . 1 1 37 37 ASP N N 15 121.245 . . . . . . . 49 ASP N . 25001 1 424 . 1 1 38 38 ALA H H 1 7.148 . . . . . . . 50 ALA HN . 25001 1 425 . 1 1 38 38 ALA HA H 1 4.463 . . . . . . . 50 ALA HA . 25001 1 426 . 1 1 38 38 ALA HB1 H 1 1.595 . . . . . . . 50 ALA HB3 . 25001 1 427 . 1 1 38 38 ALA HB2 H 1 1.595 . . . . . . . 50 ALA HB3 . 25001 1 428 . 1 1 38 38 ALA HB3 H 1 1.595 . . . . . . . 50 ALA HB3 . 25001 1 429 . 1 1 38 38 ALA C C 13 177.364 . . . . . . . 50 ALA C . 25001 1 430 . 1 1 38 38 ALA CA C 13 52.285 . . . . . . . 50 ALA CA . 25001 1 431 . 1 1 38 38 ALA CB C 13 18.707 . . . . . . . 50 ALA CB . 25001 1 432 . 1 1 38 38 ALA N N 15 120.459 . . . . . . . 50 ALA N . 25001 1 433 . 1 1 39 39 GLY H H 1 7.73 . . . . . . . 51 GLY HN . 25001 1 434 . 1 1 39 39 GLY HA2 H 1 3.809 . . . . . . . 51 GLY HA2 . 25001 1 435 . 1 1 39 39 GLY HA3 H 1 3.806 . . . . . . . 51 GLY HA3 . 25001 1 436 . 1 1 39 39 GLY C C 13 174.335 . . . . . . . 51 GLY C . 25001 1 437 . 1 1 39 39 GLY CA C 13 45.444 . . . . . . . 51 GLY CA . 25001 1 438 . 1 1 39 39 GLY N N 15 105.526 . . . . . . . 51 GLY N . 25001 1 439 . 1 1 40 40 MET H H 1 7.768 . . . . . . . 52 MET HN . 25001 1 440 . 1 1 40 40 MET HA H 1 4.740 . . . . . . . 52 MET HA . 25001 1 441 . 1 1 40 40 MET HB2 H 1 1.756 . . . . . . . 52 MET HB2 . 25001 1 442 . 1 1 40 40 MET HB3 H 1 1.76 . . . . . . . 52 MET HB3 . 25001 1 443 . 1 1 40 40 MET HG2 H 1 2.516 . . . . . . . 52 MET HG2 . 25001 1 444 . 1 1 40 40 MET HG3 H 1 2.64 . . . . . . . 52 MET HG3 . 25001 1 445 . 1 1 40 40 MET C C 13 176.722 . . . . . . . 52 MET C . 25001 1 446 . 1 1 40 40 MET CA C 13 55.888 . . . . . . . 52 MET CA . 25001 1 447 . 1 1 40 40 MET CB C 13 30.937 . . . . . . . 52 MET CB . 25001 1 448 . 1 1 40 40 MET CG C 13 33.750 . . . . . . . 52 MET CG . 25001 1 449 . 1 1 40 40 MET N N 15 117.800 . . . . . . . 52 MET N . 25001 1 450 . 1 1 41 41 ARG H H 1 8.971 . . . . . . . 53 ARG HN . 25001 1 451 . 1 1 41 41 ARG HA H 1 5.128 . . . . . . . 53 ARG HA . 25001 1 452 . 1 1 41 41 ARG HB2 H 1 1.314 . . . . . . . 53 ARG HB2 . 25001 1 453 . 1 1 41 41 ARG HB3 H 1 2.035 . . . . . . . 53 ARG HB3 . 25001 1 454 . 1 1 41 41 ARG HG2 H 1 1.358 . . . . . . . 53 ARG HG2 . 25001 1 455 . 1 1 41 41 ARG HG3 H 1 1.726 . . . . . . . 53 ARG HG3 . 25001 1 456 . 1 1 41 41 ARG HD2 H 1 3.304 . . . . . . . 53 ARG HD2 . 25001 1 457 . 1 1 41 41 ARG HD3 H 1 3.304 . . . . . . . 53 ARG HD3 . 25001 1 458 . 1 1 41 41 ARG C C 13 174.290 . . . . . . . 53 ARG C . 25001 1 459 . 1 1 41 41 ARG CA C 13 53.926 . . . . . . . 53 ARG CA . 25001 1 460 . 1 1 41 41 ARG CB C 13 34.600 . . . . . . . 53 ARG CB . 25001 1 461 . 1 1 41 41 ARG CG C 13 26.037 . . . . . . . 53 ARG CG . 25001 1 462 . 1 1 41 41 ARG CD C 13 44.637 . . . . . . . 53 ARG CD . 25001 1 463 . 1 1 41 41 ARG N N 15 123.495 . . . . . . . 53 ARG N . 25001 1 464 . 1 1 42 42 ILE H H 1 7.816 . . . . . . . 54 ILE HN . 25001 1 465 . 1 1 42 42 ILE HA H 1 4.236 . . . . . . . 54 ILE HA . 25001 1 466 . 1 1 42 42 ILE HB H 1 1.947 . . . . . . . 54 ILE HB . 25001 1 467 . 1 1 42 42 ILE HG12 H 1 1.647 . . . . . . . 54 ILE HG12 . 25001 1 468 . 1 1 42 42 ILE HG13 H 1 1.644 . . . . . . . 54 ILE HG13 . 25001 1 469 . 1 1 42 42 ILE HG21 H 1 0.794 . . . . . . . 54 ILE HG21 . 25001 1 470 . 1 1 42 42 ILE HG22 H 1 0.794 . . . . . . . 54 ILE HG21 . 25001 1 471 . 1 1 42 42 ILE HG23 H 1 0.794 . . . . . . . 54 ILE HG21 . 25001 1 472 . 1 1 42 42 ILE HD11 H 1 0.722 . . . . . . . 54 ILE HD11 . 25001 1 473 . 1 1 42 42 ILE HD12 H 1 0.722 . . . . . . . 54 ILE HD11 . 25001 1 474 . 1 1 42 42 ILE HD13 H 1 0.722 . . . . . . . 54 ILE HD11 . 25001 1 475 . 1 1 42 42 ILE C C 13 173.529 . . . . . . . 54 ILE C . 25001 1 476 . 1 1 42 42 ILE CA C 13 61.985 . . . . . . . 54 ILE CA . 25001 1 477 . 1 1 42 42 ILE CB C 13 39.376 . . . . . . . 54 ILE CB . 25001 1 478 . 1 1 42 42 ILE CG1 C 13 27.943 . . . . . . . 54 ILE CG1 . 25001 1 479 . 1 1 42 42 ILE CG2 C 13 18.688 . . . . . . . 54 ILE CG2 . 25001 1 480 . 1 1 42 42 ILE CD1 C 13 13.970 . . . . . . . 54 ILE CD1 . 25001 1 481 . 1 1 42 42 ILE N N 15 120.089 . . . . . . . 54 ILE N . 25001 1 482 . 1 1 43 43 LYS H H 1 8.925 . . . . . . . 55 LYS HN . 25001 1 483 . 1 1 43 43 LYS HA H 1 5.848 . . . . . . . 55 LYS HA . 25001 1 484 . 1 1 43 43 LYS HB2 H 1 1.502 . . . . . . . 55 LYS HB2 . 25001 1 485 . 1 1 43 43 LYS HB3 H 1 1.895 . . . . . . . 55 LYS HB3 . 25001 1 486 . 1 1 43 43 LYS HG2 H 1 1.174 . . . . . . . 55 LYS HG2 . 25001 1 487 . 1 1 43 43 LYS HG3 H 1 1.174 . . . . . . . 55 LYS HG3 . 25001 1 488 . 1 1 43 43 LYS C C 13 175.230 . . . . . . . 55 LYS C . 25001 1 489 . 1 1 43 43 LYS CA C 13 53.941 . . . . . . . 55 LYS CA . 25001 1 490 . 1 1 43 43 LYS CB C 13 36.744 . . . . . . . 55 LYS CB . 25001 1 491 . 1 1 43 43 LYS CG C 13 25.65 . . . . . . . 55 LYS CG . 25001 1 492 . 1 1 43 43 LYS CD C 13 29.66 . . . . . . . 55 LYS CD . 25001 1 493 . 1 1 43 43 LYS CE C 13 40.522 . . . . . . . 55 LYS CE . 25001 1 494 . 1 1 43 43 LYS N N 15 129.721 . . . . . . . 55 LYS N . 25001 1 495 . 1 1 44 44 ALA H H 1 9.427 . . . . . . . 56 ALA HN . 25001 1 496 . 1 1 44 44 ALA HA H 1 5.68 . . . . . . . 56 ALA HA . 25001 1 497 . 1 1 44 44 ALA HB1 H 1 1.31 . . . . . . . 56 ALA HB3 . 25001 1 498 . 1 1 44 44 ALA HB2 H 1 1.31 . . . . . . . 56 ALA HB3 . 25001 1 499 . 1 1 44 44 ALA HB3 H 1 1.31 . . . . . . . 56 ALA HB3 . 25001 1 500 . 1 1 44 44 ALA C C 13 176.290 . . . . . . . 56 ALA C . 25001 1 501 . 1 1 44 44 ALA CA C 13 51.464 . . . . . . . 56 ALA CA . 25001 1 502 . 1 1 44 44 ALA CB C 13 24.303 . . . . . . . 56 ALA CB . 25001 1 503 . 1 1 44 44 ALA N N 15 127.230 . . . . . . . 56 ALA N . 25001 1 504 . 1 1 45 45 TRP H H 1 8.951 . . . . . . . 57 TRP HN . 25001 1 505 . 1 1 45 45 TRP HA H 1 5.09 . . . . . . . 57 TRP HA . 25001 1 506 . 1 1 45 45 TRP HB2 H 1 3.5 . . . . . . . 57 TRP HB2 . 25001 1 507 . 1 1 45 45 TRP HB3 H 1 4.013 . . . . . . . 57 TRP HB3 . 25001 1 508 . 1 1 45 45 TRP HD1 H 1 7.114 . . . . . . . 57 TRP HD1 . 25001 1 509 . 1 1 45 45 TRP HE3 H 1 7.098 . . . . . . . 57 TRP HE3 . 25001 1 510 . 1 1 45 45 TRP HZ2 H 1 7.32 . . . . . . . 57 TRP HZ2 . 25001 1 511 . 1 1 45 45 TRP HZ3 H 1 6.627 . . . . . . . 57 TRP HZ3 . 25001 1 512 . 1 1 45 45 TRP HH2 H 1 6.984 . . . . . . . 57 TRP HH2 . 25001 1 513 . 1 1 45 45 TRP C C 13 174.335 . . . . . . . 57 TRP C . 25001 1 514 . 1 1 45 45 TRP CA C 13 58.702 . . . . . . . 57 TRP CA . 25001 1 515 . 1 1 45 45 TRP CB C 13 32.735 . . . . . . . 57 TRP CB . 25001 1 516 . 1 1 45 45 TRP CD1 C 13 128.46 . . . . . . . 57 TRP CD1 . 25001 1 517 . 1 1 45 45 TRP CE3 C 13 122 . . . . . . . 57 TRP CE3 . 25001 1 518 . 1 1 45 45 TRP CZ2 C 13 114.2 . . . . . . . 57 TRP CZ2 . 25001 1 519 . 1 1 45 45 TRP CZ3 C 13 120.8 . . . . . . . 57 TRP CZ3 . 25001 1 520 . 1 1 45 45 TRP CH2 C 13 124 . . . . . . . 57 TRP CH2 . 25001 1 521 . 1 1 45 45 TRP N N 15 118.013 . . . . . . . 57 TRP N . 25001 1 522 . 1 1 45 45 TRP NE1 N 15 130.229 . . . . . . . 57 TRP NE1 . 25001 1 523 . 1 1 46 46 GLY H H 1 8.668 . . . . . . . 58 GLY HN . 25001 1 524 . 1 1 46 46 GLY HA2 H 1 3.459 . . . . . . . 58 GLY HA2 . 25001 1 525 . 1 1 46 46 GLY HA3 H 1 4.64 . . . . . . . 58 GLY HA3 . 25001 1 526 . 1 1 46 46 GLY C C 13 174.231 . . . . . . . 58 GLY C . 25001 1 527 . 1 1 46 46 GLY CA C 13 43.041 . . . . . . . 58 GLY CA . 25001 1 528 . 1 1 46 46 GLY N N 15 110.377 . . . . . . . 58 GLY N . 25001 1 529 . 1 1 47 47 GLU H H 1 8.916 . . . . . . . 59 GLU HN . 25001 1 530 . 1 1 47 47 GLU HA H 1 4.41 . . . . . . . 59 GLU HA . 25001 1 531 . 1 1 47 47 GLU HB2 H 1 2.01 . . . . . . . 59 GLU HB2 . 25001 1 532 . 1 1 47 47 GLU HB3 H 1 2.263 . . . . . . . 59 GLU HB3 . 25001 1 533 . 1 1 47 47 GLU HG2 H 1 2.422 . . . . . . . 59 GLU HG2 . 25001 1 534 . 1 1 47 47 GLU HG3 H 1 2.426 . . . . . . . 59 GLU HG3 . 25001 1 535 . 1 1 47 47 GLU C C 13 176.394 . . . . . . . 59 GLU C . 25001 1 536 . 1 1 47 47 GLU CA C 13 57.433 . . . . . . . 59 GLU CA . 25001 1 537 . 1 1 47 47 GLU CB C 13 32.287 . . . . . . . 59 GLU CB . 25001 1 538 . 1 1 47 47 GLU CG C 13 37.748 . . . . . . . 59 GLU CG . 25001 1 539 . 1 1 47 47 GLU N N 15 113.893 . . . . . . . 59 GLU N . 25001 1 540 . 1 1 48 48 ALA H H 1 8.492 . . . . . . . 60 ALA HN . 25001 1 541 . 1 1 48 48 ALA HA H 1 4.475 . . . . . . . 60 ALA HA . 25001 1 542 . 1 1 48 48 ALA HB1 H 1 1.409 . . . . . . . 60 ALA HB3 . 25001 1 543 . 1 1 48 48 ALA HB2 H 1 1.409 . . . . . . . 60 ALA HB3 . 25001 1 544 . 1 1 48 48 ALA HB3 H 1 1.409 . . . . . . . 60 ALA HB3 . 25001 1 545 . 1 1 48 48 ALA C C 13 177.707 . . . . . . . 60 ALA C . 25001 1 546 . 1 1 48 48 ALA CA C 13 51.016 . . . . . . . 60 ALA CA . 25001 1 547 . 1 1 48 48 ALA CB C 13 21.468 . . . . . . . 60 ALA CB . 25001 1 548 . 1 1 48 48 ALA N N 15 120.527 . . . . . . . 60 ALA N . 25001 1 549 . 1 1 49 49 ASN H H 1 8.609 . . . . . . . 61 ASN HN . 25001 1 550 . 1 1 49 49 ASN HA H 1 4.427 . . . . . . . 61 ASN HA . 25001 1 551 . 1 1 49 49 ASN HB2 H 1 2.458 . . . . . . . 61 ASN HB2 . 25001 1 552 . 1 1 49 49 ASN HB3 H 1 2.681 . . . . . . . 61 ASN HB3 . 25001 1 553 . 1 1 49 49 ASN C C 13 176.976 . . . . . . . 61 ASN C . 25001 1 554 . 1 1 49 49 ASN CA C 13 55.195 . . . . . . . 61 ASN CA . 25001 1 555 . 1 1 49 49 ASN CB C 13 37.883 . . . . . . . 61 ASN CB . 25001 1 556 . 1 1 49 49 ASN N N 15 118.314 . . . . . . . 61 ASN N . 25001 1 557 . 1 1 50 50 HIS H H 1 8.754 . . . . . . . 62 HIS HN . 25001 1 558 . 1 1 50 50 HIS HA H 1 5.1 . . . . . . . 62 HIS HA . 25001 1 559 . 1 1 50 50 HIS HB2 H 1 3.5 . . . . . . . 62 HIS HB2 . 25001 1 560 . 1 1 50 50 HIS HB3 H 1 3.5 . . . . . . . 62 HIS HB3 . 25001 1 561 . 1 1 50 50 HIS HD2 H 1 7.15 . . . . . . . 62 HIS HD2 . 25001 1 562 . 1 1 50 50 HIS C C 13 174.126 . . . . . . . 62 HIS C . 25001 1 563 . 1 1 50 50 HIS CA C 13 55.642 . . . . . . . 62 HIS CA . 25001 1 564 . 1 1 50 50 HIS CB C 13 27.512 . . . . . . . 62 HIS CB . 25001 1 565 . 1 1 50 50 HIS CD2 C 13 120.26 . . . . . . . 62 HIS CD2 . 25001 1 566 . 1 1 50 50 HIS N N 15 116.081 . . . . . . . 62 HIS N . 25001 1 567 . 1 1 51 51 GLY H H 1 8.160 . . . . . . . 63 GLY HN . 25001 1 568 . 1 1 51 51 GLY HA2 H 1 3.898 . . . . . . . 63 GLY HA2 . 25001 1 569 . 1 1 51 51 GLY HA3 H 1 3.956 . . . . . . . 63 GLY HA3 . 25001 1 570 . 1 1 51 51 GLY C C 13 175.260 . . . . . . . 63 GLY C . 25001 1 571 . 1 1 51 51 GLY CA C 13 46.464 . . . . . . . 63 GLY CA . 25001 1 572 . 1 1 51 51 GLY N N 15 105.597 . . . . . . . 63 GLY N . 25001 1 573 . 1 1 52 52 GLN HA H 1 4.3 . . . . . . . 64 GLN HA . 25001 1 574 . 1 1 52 52 GLN HB2 H 1 1.941 . . . . . . . 64 GLN HB2 . 25001 1 575 . 1 1 52 52 GLN HB3 H 1 2.521 . . . . . . . 64 GLN HB3 . 25001 1 576 . 1 1 52 52 GLN HG2 H 1 2.526 . . . . . . . 64 GLN HG2 . 25001 1 577 . 1 1 52 52 GLN HG3 H 1 2.531 . . . . . . . 64 GLN HG3 . 25001 1 578 . 1 1 52 52 GLN CA C 13 55.94 . . . . . . . 64 GLN CA . 25001 1 579 . 1 1 52 52 GLN CB C 13 29.377 . . . . . . . 64 GLN CB . 25001 1 580 . 1 1 52 52 GLN CG C 13 35.020 . . . . . . . 64 GLN CG . 25001 1 581 . 1 1 53 53 LEU H H 1 8.549 . . . . . . . 65 LEU HN . 25001 1 582 . 1 1 53 53 LEU HA H 1 4.302 . . . . . . . 65 LEU HA . 25001 1 583 . 1 1 53 53 LEU HB2 H 1 1.059 . . . . . . . 65 LEU HB2 . 25001 1 584 . 1 1 53 53 LEU HB3 H 1 1.059 . . . . . . . 65 LEU HB3 . 25001 1 585 . 1 1 53 53 LEU HD11 H 1 0.414 . . . . . . . 65 LEU HD11 . 25001 1 586 . 1 1 53 53 LEU HD12 H 1 0.414 . . . . . . . 65 LEU HD11 . 25001 1 587 . 1 1 53 53 LEU HD13 H 1 0.414 . . . . . . . 65 LEU HD11 . 25001 1 588 . 1 1 53 53 LEU HD21 H 1 0.66 . . . . . . . 65 LEU HD21 . 25001 1 589 . 1 1 53 53 LEU HD22 H 1 0.66 . . . . . . . 65 LEU HD21 . 25001 1 590 . 1 1 53 53 LEU HD23 H 1 0.66 . . . . . . . 65 LEU HD21 . 25001 1 591 . 1 1 53 53 LEU C C 13 176.096 . . . . . . . 65 LEU C . 25001 1 592 . 1 1 53 53 LEU CA C 13 55.797 . . . . . . . 65 LEU CA . 25001 1 593 . 1 1 53 53 LEU CB C 13 43.6 . . . . . . . 65 LEU CB . 25001 1 594 . 1 1 53 53 LEU CD1 C 13 22.4 . . . . . . . 65 LEU CD1 . 25001 1 595 . 1 1 53 53 LEU CD2 C 13 25.3 . . . . . . . 65 LEU CD2 . 25001 1 596 . 1 1 53 53 LEU N N 15 117.719 . . . . . . . 65 LEU N . 25001 1 597 . 1 1 54 54 LEU H H 1 8.67 . . . . . . . 66 LEU HN . 25001 1 598 . 1 1 54 54 LEU HA H 1 4.904 . . . . . . . 66 LEU HA . 25001 1 599 . 1 1 54 54 LEU HB2 H 1 1.511 . . . . . . . 66 LEU HB2 . 25001 1 600 . 1 1 54 54 LEU HB3 H 1 1.66 . . . . . . . 66 LEU HB3 . 25001 1 601 . 1 1 54 54 LEU HG H 1 1.371 . . . . . . . 66 LEU HG . 25001 1 602 . 1 1 54 54 LEU HD11 H 1 0.749 . . . . . . . 66 LEU HD11 . 25001 1 603 . 1 1 54 54 LEU HD12 H 1 0.749 . . . . . . . 66 LEU HD11 . 25001 1 604 . 1 1 54 54 LEU HD13 H 1 0.749 . . . . . . . 66 LEU HD11 . 25001 1 605 . 1 1 54 54 LEU HD21 H 1 0.749 . . . . . . . 66 LEU HD21 . 25001 1 606 . 1 1 54 54 LEU HD22 H 1 0.749 . . . . . . . 66 LEU HD21 . 25001 1 607 . 1 1 54 54 LEU HD23 H 1 0.749 . . . . . . . 66 LEU HD21 . 25001 1 608 . 1 1 54 54 LEU C C 13 174.738 . . . . . . . 66 LEU C . 25001 1 609 . 1 1 54 54 LEU CA C 13 53.662 . . . . . . . 66 LEU CA . 25001 1 610 . 1 1 54 54 LEU CB C 13 48.176 . . . . . . . 66 LEU CB . 25001 1 611 . 1 1 54 54 LEU CG C 13 27.943 . . . . . . . 66 LEU CG . 25001 1 612 . 1 1 54 54 LEU CD1 C 13 26.219 . . . . . . . 66 LEU CD1 . 25001 1 613 . 1 1 54 54 LEU CD2 C 13 25.856 . . . . . . . 66 LEU CD2 . 25001 1 614 . 1 1 54 54 LEU N N 15 125.27 . . . . . . . 66 LEU N . 25001 1 615 . 1 1 55 55 ILE H H 1 9.317 . . . . . . . 67 ILE HN . 25001 1 616 . 1 1 55 55 ILE HA H 1 5.402 . . . . . . . 67 ILE HA . 25001 1 617 . 1 1 55 55 ILE HB H 1 1.47 . . . . . . . 67 ILE HB . 25001 1 618 . 1 1 55 55 ILE HG12 H 1 1.047 . . . . . . . 67 ILE HG12 . 25001 1 619 . 1 1 55 55 ILE HG13 H 1 1.622 . . . . . . . 67 ILE HG13 . 25001 1 620 . 1 1 55 55 ILE HG21 H 1 1.206 . . . . . . . 67 ILE HG21 . 25001 1 621 . 1 1 55 55 ILE HG22 H 1 1.206 . . . . . . . 67 ILE HG21 . 25001 1 622 . 1 1 55 55 ILE HG23 H 1 1.206 . . . . . . . 67 ILE HG21 . 25001 1 623 . 1 1 55 55 ILE HD11 H 1 0.62 . . . . . . . 67 ILE HD11 . 25001 1 624 . 1 1 55 55 ILE HD12 H 1 0.62 . . . . . . . 67 ILE HD11 . 25001 1 625 . 1 1 55 55 ILE HD13 H 1 0.62 . . . . . . . 67 ILE HD11 . 25001 1 626 . 1 1 55 55 ILE C C 13 172.977 . . . . . . . 67 ILE C . 25001 1 627 . 1 1 55 55 ILE CA C 13 58.313 . . . . . . . 67 ILE CA . 25001 1 628 . 1 1 55 55 ILE CB C 13 41.723 . . . . . . . 67 ILE CB . 25001 1 629 . 1 1 55 55 ILE CG1 C 13 30.66 . . . . . . . 67 ILE CG1 . 25001 1 630 . 1 1 55 55 ILE CG2 C 13 16.47 . . . . . . . 67 ILE CG2 . 25001 1 631 . 1 1 55 55 ILE CD1 C 13 14.78 . . . . . . . 67 ILE CD1 . 25001 1 632 . 1 1 55 55 ILE N N 15 125.725 . . . . . . . 67 ILE N . 25001 1 633 . 1 1 56 56 LYS H H 1 9.278 . . . . . . . 68 LYS HN . 25001 1 634 . 1 1 56 56 LYS HA H 1 5.287 . . . . . . . 68 LYS HA . 25001 1 635 . 1 1 56 56 LYS HB2 H 1 1.5 . . . . . . . 68 LYS HB2 . 25001 1 636 . 1 1 56 56 LYS HB3 H 1 1.697 . . . . . . . 68 LYS HB3 . 25001 1 637 . 1 1 56 56 LYS HG2 H 1 1.307 . . . . . . . 68 LYS HG2 . 25001 1 638 . 1 1 56 56 LYS HG3 H 1 1.47 . . . . . . . 68 LYS HG3 . 25001 1 639 . 1 1 56 56 LYS HD2 H 1 1.227 . . . . . . . 68 LYS HD2 . 25001 1 640 . 1 1 56 56 LYS HD3 H 1 1.399 . . . . . . . 68 LYS HD3 . 25001 1 641 . 1 1 56 56 LYS C C 13 171.739 . . . . . . . 68 LYS C . 25001 1 642 . 1 1 56 56 LYS CA C 13 52.882 . . . . . . . 68 LYS CA . 25001 1 643 . 1 1 56 56 LYS CB C 13 34.899 . . . . . . . 68 LYS CB . 25001 1 644 . 1 1 56 56 LYS CG C 13 23.225 . . . . . . . 68 LYS CG . 25001 1 645 . 1 1 56 56 LYS CD C 13 29.59 . . . . . . . 68 LYS CD . 25001 1 646 . 1 1 56 56 LYS CE C 13 42.67 . . . . . . . 68 LYS CE . 25001 1 647 . 1 1 56 56 LYS N N 15 126.51 . . . . . . . 68 LYS N . 25001 1 648 . 1 1 57 57 PRO HA H 1 3.866 . . . . . . . 69 PRO HA . 25001 1 649 . 1 1 57 57 PRO HB2 H 1 1.641 . . . . . . . 69 PRO HB2 . 25001 1 650 . 1 1 57 57 PRO HB3 H 1 2.137 . . . . . . . 69 PRO HB3 . 25001 1 651 . 1 1 57 57 PRO HG2 H 1 1.994 . . . . . . . 69 PRO HG2 . 25001 1 652 . 1 1 57 57 PRO HG3 H 1 2.099 . . . . . . . 69 PRO HG3 . 25001 1 653 . 1 1 57 57 PRO HD2 H 1 3.391 . . . . . . . 69 PRO HD2 . 25001 1 654 . 1 1 57 57 PRO HD3 H 1 3.397 . . . . . . . 69 PRO HD3 . 25001 1 655 . 1 1 57 57 PRO C C 13 176.558 . . . . . . . 69 PRO C . 25001 1 656 . 1 1 57 57 PRO CA C 13 63.179 . . . . . . . 69 PRO CA . 25001 1 657 . 1 1 57 57 PRO CB C 13 31.765 . . . . . . . 69 PRO CB . 25001 1 658 . 1 1 57 57 PRO CG C 13 28.174 . . . . . . . 69 PRO CG . 25001 1 659 . 1 1 57 57 PRO CD C 13 50.898 . . . . . . . 69 PRO CD . 25001 1 660 . 1 1 58 58 GLN H H 1 8.331 . . . . . . . 70 GLN HN . 25001 1 661 . 1 1 58 58 GLN HA H 1 3.817 . . . . . . . 70 GLN HA . 25001 1 662 . 1 1 58 58 GLN HB2 H 1 1.392 . . . . . . . 70 GLN HB2 . 25001 1 663 . 1 1 58 58 GLN HB3 H 1 1.906 . . . . . . . 70 GLN HB3 . 25001 1 664 . 1 1 58 58 GLN HG2 H 1 2.033 . . . . . . . 70 GLN HG2 . 25001 1 665 . 1 1 58 58 GLN HG3 H 1 2.206 . . . . . . . 70 GLN HG3 . 25001 1 666 . 1 1 58 58 GLN C C 13 177.230 . . . . . . . 70 GLN C . 25001 1 667 . 1 1 58 58 GLN CA C 13 57.881 . . . . . . . 70 GLN CA . 25001 1 668 . 1 1 58 58 GLN CB C 13 29.452 . . . . . . . 70 GLN CB . 25001 1 669 . 1 1 58 58 GLN CG C 13 33.96 . . . . . . . 70 GLN CG . 25001 1 670 . 1 1 58 58 GLN N N 15 124.461 . . . . . . . 70 GLN N . 25001 1 671 . 1 1 59 59 GLY H H 1 9.153 . . . . . . . 71 GLY HN . 25001 1 672 . 1 1 59 59 GLY HA2 H 1 3.759 . . . . . . . 71 GLY HA2 . 25001 1 673 . 1 1 59 59 GLY HA3 H 1 4.06 . . . . . . . 71 GLY HA3 . 25001 1 674 . 1 1 59 59 GLY C C 13 174.648 . . . . . . . 71 GLY C . 25001 1 675 . 1 1 59 59 GLY CA C 13 45.494 . . . . . . . 71 GLY CA . 25001 1 676 . 1 1 59 59 GLY N N 15 116.702 . . . . . . . 71 GLY N . 25001 1 677 . 1 1 60 60 GLY H H 1 8.292 . . . . . . . 72 GLY HN . 25001 1 678 . 1 1 60 60 GLY HA2 H 1 3.373 . . . . . . . 72 GLY HA2 . 25001 1 679 . 1 1 60 60 GLY HA3 H 1 4.339 . . . . . . . 72 GLY HA3 . 25001 1 680 . 1 1 60 60 GLY C C 13 172.724 . . . . . . . 72 GLY C . 25001 1 681 . 1 1 60 60 GLY CA C 13 44.300 . . . . . . . 72 GLY CA . 25001 1 682 . 1 1 60 60 GLY N N 15 107.864 . . . . . . . 72 GLY N . 25001 1 683 . 1 1 61 61 ASN H H 1 8.433 . . . . . . . 73 ASN HN . 25001 1 684 . 1 1 61 61 ASN HA H 1 4.798 . . . . . . . 73 ASN HA . 25001 1 685 . 1 1 61 61 ASN HB2 H 1 2.781 . . . . . . . 73 ASN HB2 . 25001 1 686 . 1 1 61 61 ASN HB3 H 1 2.784 . . . . . . . 73 ASN HB3 . 25001 1 687 . 1 1 61 61 ASN C C 13 176.618 . . . . . . . 73 ASN C . 25001 1 688 . 1 1 61 61 ASN CA C 13 52.732 . . . . . . . 73 ASN CA . 25001 1 689 . 1 1 61 61 ASN CB C 13 40.197 . . . . . . . 73 ASN CB . 25001 1 690 . 1 1 61 61 ASN N N 15 117.884 . . . . . . . 73 ASN N . 25001 1 691 . 1 1 62 62 LYS H H 1 8.770 . . . . . . . 74 LYS HN . 25001 1 692 . 1 1 62 62 LYS HA H 1 3.773 . . . . . . . 74 LYS HA . 25001 1 693 . 1 1 62 62 LYS HB2 H 1 1.751 . . . . . . . 74 LYS HB2 . 25001 1 694 . 1 1 62 62 LYS HB3 H 1 1.754 . . . . . . . 74 LYS HB3 . 25001 1 695 . 1 1 62 62 LYS HG2 H 1 1.443 . . . . . . . 74 LYS HG2 . 25001 1 696 . 1 1 62 62 LYS HG3 H 1 1.443 . . . . . . . 74 LYS HG3 . 25001 1 697 . 1 1 62 62 LYS HD2 H 1 1.441 . . . . . . . 74 LYS HD2 . 25001 1 698 . 1 1 62 62 LYS HD3 H 1 1.436 . . . . . . . 74 LYS HD3 . 25001 1 699 . 1 1 62 62 LYS C C 13 178.364 . . . . . . . 74 LYS C . 25001 1 700 . 1 1 62 62 LYS CA C 13 59.522 . . . . . . . 74 LYS CA . 25001 1 701 . 1 1 62 62 LYS CB C 13 31.989 . . . . . . . 74 LYS CB . 25001 1 702 . 1 1 62 62 LYS CG C 13 24.307 . . . . . . . 74 LYS CG . 25001 1 703 . 1 1 62 62 LYS CD C 13 29.582 . . . . . . . 74 LYS CD . 25001 1 704 . 1 1 62 62 LYS CE C 13 41.950 . . . . . . . 74 LYS CE . 25001 1 705 . 1 1 62 62 LYS N N 15 122.688 . . . . . . . 74 LYS N . 25001 1 706 . 1 1 63 63 SER H H 1 8.552 . . . . . . . 75 SER HN . 25001 1 707 . 1 1 63 63 SER HA H 1 4.172 . . . . . . . 75 SER HA . 25001 1 708 . 1 1 63 63 SER HB2 H 1 3.907 . . . . . . . 75 SER HB2 . 25001 1 709 . 1 1 63 63 SER HB3 H 1 3.909 . . . . . . . 75 SER HB3 . 25001 1 710 . 1 1 63 63 SER C C 13 174.514 . . . . . . . 75 SER C . 25001 1 711 . 1 1 63 63 SER CA C 13 59.941 . . . . . . . 75 SER CA . 25001 1 712 . 1 1 63 63 SER CB C 13 62.344 . . . . . . . 75 SER CB . 25001 1 713 . 1 1 63 63 SER N N 15 115.905 . . . . . . . 75 SER N . 25001 1 714 . 1 1 64 64 ALA H H 1 7.605 . . . . . . . 76 ALA HN . 25001 1 715 . 1 1 64 64 ALA HA H 1 4.454 . . . . . . . 76 ALA HA . 25001 1 716 . 1 1 64 64 ALA HB1 H 1 1.462 . . . . . . . 76 ALA HB3 . 25001 1 717 . 1 1 64 64 ALA HB2 H 1 1.462 . . . . . . . 76 ALA HB3 . 25001 1 718 . 1 1 64 64 ALA HB3 H 1 1.462 . . . . . . . 76 ALA HB3 . 25001 1 719 . 1 1 64 64 ALA C C 13 176.275 . . . . . . . 76 ALA C . 25001 1 720 . 1 1 64 64 ALA CA C 13 51.538 . . . . . . . 76 ALA CA . 25001 1 721 . 1 1 64 64 ALA CB C 13 19.527 . . . . . . . 76 ALA CB . 25001 1 722 . 1 1 64 64 ALA N N 15 124.019 . . . . . . . 76 ALA N . 25001 1 723 . 1 1 65 65 GLY H H 1 7.457 . . . . . . . 77 GLY HN . 25001 1 724 . 1 1 65 65 GLY HA2 H 1 3.575 . . . . . . . 77 GLY HA2 . 25001 1 725 . 1 1 65 65 GLY HA3 H 1 4.6 . . . . . . . 77 GLY HA3 . 25001 1 726 . 1 1 65 65 GLY C C 13 172.306 . . . . . . . 77 GLY C . 25001 1 727 . 1 1 65 65 GLY CA C 13 44.077 . . . . . . . 77 GLY CA . 25001 1 728 . 1 1 65 65 GLY N N 15 103.994 . . . . . . . 77 GLY N . 25001 1 729 . 1 1 66 66 PHE H H 1 8.845 . . . . . . . 78 PHE HN . 25001 1 730 . 1 1 66 66 PHE HA H 1 4.975 . . . . . . . 78 PHE HA . 25001 1 731 . 1 1 66 66 PHE HB2 H 1 2.556 . . . . . . . 78 PHE HB2 . 25001 1 732 . 1 1 66 66 PHE HB3 H 1 3.235 . . . . . . . 78 PHE HB3 . 25001 1 733 . 1 1 66 66 PHE HD1 H 1 7.157 . . . . . . . 78 PHE HD1 . 25001 1 734 . 1 1 66 66 PHE HD2 H 1 7.157 . . . . . . . 78 PHE HD2 . 25001 1 735 . 1 1 66 66 PHE HE1 H 1 7.325 . . . . . . . 78 PHE HE1 . 25001 1 736 . 1 1 66 66 PHE HE2 H 1 7.325 . . . . . . . 78 PHE HE2 . 25001 1 737 . 1 1 66 66 PHE C C 13 175.275 . . . . . . . 78 PHE C . 25001 1 738 . 1 1 66 66 PHE CA C 13 56.389 . . . . . . . 78 PHE CA . 25001 1 739 . 1 1 66 66 PHE CB C 13 42.360 . . . . . . . 78 PHE CB . 25001 1 740 . 1 1 66 66 PHE CD1 C 13 132.29 . . . . . . . 78 PHE CD1 . 25001 1 741 . 1 1 66 66 PHE CD2 C 13 132.29 . . . . . . . 78 PHE CD2 . 25001 1 742 . 1 1 66 66 PHE CE1 C 13 131.2 . . . . . . . 78 PHE CE1 . 25001 1 743 . 1 1 66 66 PHE CE2 C 13 131.2 . . . . . . . 78 PHE CE2 . 25001 1 744 . 1 1 66 66 PHE N N 15 115.504 . . . . . . . 78 PHE N . 25001 1 745 . 1 1 67 67 THR H H 1 9.014 . . . . . . . 79 THR HN . 25001 1 746 . 1 1 67 67 THR HA H 1 4.291 . . . . . . . 79 THR HA . 25001 1 747 . 1 1 67 67 THR HB H 1 4.122 . . . . . . . 79 THR HB . 25001 1 748 . 1 1 67 67 THR HG21 H 1 1.395 . . . . . . . 79 THR HG21 . 25001 1 749 . 1 1 67 67 THR HG22 H 1 1.395 . . . . . . . 79 THR HG21 . 25001 1 750 . 1 1 67 67 THR HG23 H 1 1.395 . . . . . . . 79 THR HG21 . 25001 1 751 . 1 1 67 67 THR CA C 13 64.064 . . . . . . . 79 THR CA . 25001 1 752 . 1 1 67 67 THR CB C 13 68.924 . . . . . . . 79 THR CB . 25001 1 753 . 1 1 67 67 THR CG2 C 13 22.408 . . . . . . . 79 THR CG2 . 25001 1 754 . 1 1 67 67 THR N N 15 122.773 . . . . . . . 79 THR N . 25001 1 755 . 1 1 68 68 LEU H H 1 8.162 . . . . . . . 80 LEU HN . 25001 1 756 . 1 1 68 68 LEU HA H 1 4.229 . . . . . . . 80 LEU HA . 25001 1 757 . 1 1 68 68 LEU HB2 H 1 1.526 . . . . . . . 80 LEU HB2 . 25001 1 758 . 1 1 68 68 LEU HB3 H 1 1.748 . . . . . . . 80 LEU HB3 . 25001 1 759 . 1 1 68 68 LEU HG H 1 1.414 . . . . . . . 80 LEU HG . 25001 1 760 . 1 1 68 68 LEU HD11 H 1 0.795 . . . . . . . 80 LEU HD11 . 25001 1 761 . 1 1 68 68 LEU HD12 H 1 0.795 . . . . . . . 80 LEU HD11 . 25001 1 762 . 1 1 68 68 LEU HD13 H 1 0.795 . . . . . . . 80 LEU HD11 . 25001 1 763 . 1 1 68 68 LEU HD21 H 1 0.713 . . . . . . . 80 LEU HD21 . 25001 1 764 . 1 1 68 68 LEU HD22 H 1 0.713 . . . . . . . 80 LEU HD21 . 25001 1 765 . 1 1 68 68 LEU HD23 H 1 0.713 . . . . . . . 80 LEU HD21 . 25001 1 766 . 1 1 68 68 LEU C C 13 176.812 . . . . . . . 80 LEU C . 25001 1 767 . 1 1 68 68 LEU CA C 13 55.717 . . . . . . . 80 LEU CA . 25001 1 768 . 1 1 68 68 LEU CB C 13 40.047 . . . . . . . 80 LEU CB . 25001 1 769 . 1 1 68 68 LEU CG C 13 26.763 . . . . . . . 80 LEU CG . 25001 1 770 . 1 1 68 68 LEU CD1 C 13 26.673 . . . . . . . 80 LEU CD1 . 25001 1 771 . 1 1 68 68 LEU CD2 C 13 23.341 . . . . . . . 80 LEU CD2 . 25001 1 772 . 1 1 68 68 LEU N N 15 124.325 . . . . . . . 80 LEU N . 25001 1 773 . 1 1 69 69 ALA H H 1 8.597 . . . . . . . 81 ALA HN . 25001 1 774 . 1 1 69 69 ALA HA H 1 4.503 . . . . . . . 81 ALA HA . 25001 1 775 . 1 1 69 69 ALA HB1 H 1 1.428 . . . . . . . 81 ALA HB3 . 25001 1 776 . 1 1 69 69 ALA HB2 H 1 1.428 . . . . . . . 81 ALA HB3 . 25001 1 777 . 1 1 69 69 ALA HB3 H 1 1.428 . . . . . . . 81 ALA HB3 . 25001 1 778 . 1 1 69 69 ALA C C 13 177.051 . . . . . . . 81 ALA C . 25001 1 779 . 1 1 69 69 ALA CA C 13 51.016 . . . . . . . 81 ALA CA . 25001 1 780 . 1 1 69 69 ALA CB C 13 22.139 . . . . . . . 81 ALA CB . 25001 1 781 . 1 1 69 69 ALA N N 15 123.758 . . . . . . . 81 ALA N . 25001 1 782 . 1 1 70 70 SER H H 1 8.915 . . . . . . . 82 SER HN . 25001 1 783 . 1 1 70 70 SER HA H 1 4.037 . . . . . . . 82 SER HA . 25001 1 784 . 1 1 70 70 SER HB2 H 1 3.7 . . . . . . . 82 SER HB2 . 25001 1 785 . 1 1 70 70 SER HB3 H 1 3.9 . . . . . . . 82 SER HB3 . 25001 1 786 . 1 1 70 70 SER CA C 13 57.359 . . . . . . . 82 SER CA . 25001 1 787 . 1 1 70 70 SER CB C 13 62.507 . . . . . . . 82 SER CB . 25001 1 788 . 1 1 70 70 SER N N 15 110.876 . . . . . . . 82 SER N . 25001 1 789 . 1 1 71 71 PRO HA H 1 4.788 . . . . . . . 83 PRO HA . 25001 1 790 . 1 1 71 71 PRO HB2 H 1 1.817 . . . . . . . 83 PRO HB2 . 25001 1 791 . 1 1 71 71 PRO HB3 H 1 2.194 . . . . . . . 83 PRO HB3 . 25001 1 792 . 1 1 71 71 PRO HG2 H 1 2.074 . . . . . . . 83 PRO HG2 . 25001 1 793 . 1 1 71 71 PRO HG3 H 1 2.078 . . . . . . . 83 PRO HG3 . 25001 1 794 . 1 1 71 71 PRO HD2 H 1 3.688 . . . . . . . 83 PRO HD2 . 25001 1 795 . 1 1 71 71 PRO HD3 H 1 3.691 . . . . . . . 83 PRO HD3 . 25001 1 796 . 1 1 71 71 PRO C C 13 177.916 . . . . . . . 83 PRO C . 25001 1 797 . 1 1 71 71 PRO CA C 13 62.731 . . . . . . . 83 PRO CA . 25001 1 798 . 1 1 71 71 PRO CB C 13 31.839 . . . . . . . 83 PRO CB . 25001 1 799 . 1 1 71 71 PRO CG C 13 27.718 . . . . . . . 83 PRO CG . 25001 1 800 . 1 1 71 71 PRO CD C 13 50.605 . . . . . . . 83 PRO CD . 25001 1 801 . 1 1 72 72 ARG H H 1 8.065 . . . . . . . 84 ARG HN . 25001 1 802 . 1 1 72 72 ARG HA H 1 4.594 . . . . . . . 84 ARG HA . 25001 1 803 . 1 1 72 72 ARG HB2 H 1 1.48 . . . . . . . 84 ARG HB2 . 25001 1 804 . 1 1 72 72 ARG HB3 H 1 1.717 . . . . . . . 84 ARG HB3 . 25001 1 805 . 1 1 72 72 ARG HG2 H 1 1.557 . . . . . . . 84 ARG HG2 . 25001 1 806 . 1 1 72 72 ARG HG3 H 1 1.559 . . . . . . . 84 ARG HG3 . 25001 1 807 . 1 1 72 72 ARG HD2 H 1 3.11 . . . . . . . 84 ARG HD2 . 25001 1 808 . 1 1 72 72 ARG HD3 H 1 3.11 . . . . . . . 84 ARG HD3 . 25001 1 809 . 1 1 72 72 ARG C C 13 174.275 . . . . . . . 84 ARG C . 25001 1 810 . 1 1 72 72 ARG CA C 13 54.747 . . . . . . . 84 ARG CA . 25001 1 811 . 1 1 72 72 ARG CB C 13 34.376 . . . . . . . 84 ARG CB . 25001 1 812 . 1 1 72 72 ARG CG C 13 27.079 . . . . . . . 84 ARG CG . 25001 1 813 . 1 1 72 72 ARG CD C 13 43.492 . . . . . . . 84 ARG CD . 25001 1 814 . 1 1 72 72 ARG N N 15 122.213 . . . . . . . 84 ARG N . 25001 1 815 . 1 1 73 73 PHE H H 1 8.658 . . . . . . . 85 PHE HN . 25001 1 816 . 1 1 73 73 PHE HA H 1 5.444 . . . . . . . 85 PHE HA . 25001 1 817 . 1 1 73 73 PHE HB2 H 1 2.846 . . . . . . . 85 PHE HB2 . 25001 1 818 . 1 1 73 73 PHE HB3 H 1 2.859 . . . . . . . 85 PHE HB3 . 25001 1 819 . 1 1 73 73 PHE HD1 H 1 7.342 . . . . . . . 85 PHE HD1 . 25001 1 820 . 1 1 73 73 PHE HD2 H 1 7.342 . . . . . . . 85 PHE HD2 . 25001 1 821 . 1 1 73 73 PHE HE1 H 1 6.757 . . . . . . . 85 PHE HE1 . 25001 1 822 . 1 1 73 73 PHE HE2 H 1 6.757 . . . . . . . 85 PHE HE2 . 25001 1 823 . 1 1 73 73 PHE HZ H 1 7.130 . . . . . . . 85 PHE HZ . 25001 1 824 . 1 1 73 73 PHE C C 13 174.827 . . . . . . . 85 PHE C . 25001 1 825 . 1 1 73 73 PHE CA C 13 55.979 . . . . . . . 85 PHE CA . 25001 1 826 . 1 1 73 73 PHE CB C 13 43.041 . . . . . . . 85 PHE CB . 25001 1 827 . 1 1 73 73 PHE CD1 C 13 132.3 . . . . . . . 85 PHE CD1 . 25001 1 828 . 1 1 73 73 PHE CD2 C 13 132.3 . . . . . . . 85 PHE CD2 . 25001 1 829 . 1 1 73 73 PHE CE1 C 13 132.8 . . . . . . . 85 PHE CE1 . 25001 1 830 . 1 1 73 73 PHE CE2 C 13 132.8 . . . . . . . 85 PHE CE2 . 25001 1 831 . 1 1 73 73 PHE CZ C 13 130.6 . . . . . . . 85 PHE CZ . 25001 1 832 . 1 1 73 73 PHE N N 15 122.075 . . . . . . . 85 PHE N . 25001 1 833 . 1 1 74 74 SER H H 1 8.794 . . . . . . . 86 SER HN . 25001 1 834 . 1 1 74 74 SER HA H 1 4.585 . . . . . . . 86 SER HA . 25001 1 835 . 1 1 74 74 SER HB2 H 1 3.662 . . . . . . . 86 SER HB2 . 25001 1 836 . 1 1 74 74 SER HB3 H 1 3.659 . . . . . . . 86 SER HB3 . 25001 1 837 . 1 1 74 74 SER C C 13 172.186 . . . . . . . 86 SER C . 25001 1 838 . 1 1 74 74 SER CA C 13 56.341 . . . . . . . 86 SER CA . 25001 1 839 . 1 1 74 74 SER CB C 13 65.764 . . . . . . . 86 SER CB . 25001 1 840 . 1 1 74 74 SER N N 15 116.939 . . . . . . . 86 SER N . 25001 1 841 . 1 1 75 75 TYR H H 1 8.455 . . . . . . . 87 TYR HN . 25001 1 842 . 1 1 75 75 TYR HA H 1 5.459 . . . . . . . 87 TYR HA . 25001 1 843 . 1 1 75 75 TYR HB2 H 1 2.833 . . . . . . . 87 TYR HB2 . 25001 1 844 . 1 1 75 75 TYR HB3 H 1 3.257 . . . . . . . 87 TYR HB3 . 25001 1 845 . 1 1 75 75 TYR HD1 H 1 7.15 . . . . . . . 87 TYR HD1 . 25001 1 846 . 1 1 75 75 TYR HD2 H 1 7.15 . . . . . . . 87 TYR HD2 . 25001 1 847 . 1 1 75 75 TYR HE1 H 1 6.773 . . . . . . . 87 TYR HE1 . 25001 1 848 . 1 1 75 75 TYR HE2 H 1 6.805 . . . . . . . 87 TYR HE2 . 25001 1 849 . 1 1 75 75 TYR CA C 13 56.344 . . . . . . . 87 TYR CA . 25001 1 850 . 1 1 75 75 TYR CB C 13 43.307 . . . . . . . 87 TYR CB . 25001 1 851 . 1 1 75 75 TYR CD1 C 13 134.48 . . . . . . . 87 TYR CD1 . 25001 1 852 . 1 1 75 75 TYR CD2 C 13 134.48 . . . . . . . 87 TYR CD2 . 25001 1 853 . 1 1 75 75 TYR CE1 C 13 118.075 . . . . . . . 87 TYR CE1 . 25001 1 854 . 1 1 75 75 TYR CE2 C 13 118.075 . . . . . . . 87 TYR CE2 . 25001 1 855 . 1 1 75 75 TYR N N 15 120.02 . . . . . . . 87 TYR N . 25001 1 856 . 1 1 76 76 ILE H H 1 8.37 . . . . . . . 88 ILE HN . 25001 1 857 . 1 1 76 76 ILE HA H 1 4.256 . . . . . . . 88 ILE HA . 25001 1 858 . 1 1 76 76 ILE HB H 1 1.762 . . . . . . . 88 ILE HB . 25001 1 859 . 1 1 76 76 ILE HG12 H 1 1.348 . . . . . . . 88 ILE HG12 . 25001 1 860 . 1 1 76 76 ILE HG13 H 1 1.352 . . . . . . . 88 ILE HG13 . 25001 1 861 . 1 1 76 76 ILE HG21 H 1 0.758 . . . . . . . 88 ILE HG21 . 25001 1 862 . 1 1 76 76 ILE HG22 H 1 0.758 . . . . . . . 88 ILE HG21 . 25001 1 863 . 1 1 76 76 ILE HG23 H 1 0.758 . . . . . . . 88 ILE HG21 . 25001 1 864 . 1 1 76 76 ILE HD11 H 1 0.851 . . . . . . . 88 ILE HD11 . 25001 1 865 . 1 1 76 76 ILE HD12 H 1 0.851 . . . . . . . 88 ILE HD11 . 25001 1 866 . 1 1 76 76 ILE HD13 H 1 0.851 . . . . . . . 88 ILE HD11 . 25001 1 867 . 1 1 76 76 ILE CA C 13 58.776 . . . . . . . 88 ILE CA . 25001 1 868 . 1 1 76 76 ILE CB C 13 39.615 . . . . . . . 88 ILE CB . 25001 1 869 . 1 1 76 76 ILE CG1 C 13 26.802 . . . . . . . 88 ILE CG1 . 25001 1 870 . 1 1 76 76 ILE CG2 C 13 17.024 . . . . . . . 88 ILE CG2 . 25001 1 871 . 1 1 76 76 ILE CD1 C 13 13.126 . . . . . . . 88 ILE CD1 . 25001 1 872 . 1 1 76 76 ILE N N 15 120.9759 . . . . . . . 88 ILE N . 25001 1 873 . 1 1 77 77 PRO HA H 1 4.697 . . . . . . . 89 PRO HA . 25001 1 874 . 1 1 77 77 PRO HB2 H 1 1.835 . . . . . . . 89 PRO HB2 . 25001 1 875 . 1 1 77 77 PRO HB3 H 1 2.578 . . . . . . . 89 PRO HB3 . 25001 1 876 . 1 1 77 77 PRO HG2 H 1 1.89 . . . . . . . 89 PRO HG2 . 25001 1 877 . 1 1 77 77 PRO HG3 H 1 1.951 . . . . . . . 89 PRO HG3 . 25001 1 878 . 1 1 77 77 PRO HD2 H 1 3.878 . . . . . . . 89 PRO HD2 . 25001 1 879 . 1 1 77 77 PRO HD3 H 1 3.878 . . . . . . . 89 PRO HD3 . 25001 1 880 . 1 1 77 77 PRO C C 13 175.976 . . . . . . . 89 PRO C . 25001 1 881 . 1 1 77 77 PRO CA C 13 63.403 . . . . . . . 89 PRO CA . 25001 1 882 . 1 1 77 77 PRO CB C 13 34.451 . . . . . . . 89 PRO CB . 25001 1 883 . 1 1 77 77 PRO CG C 13 26.582 . . . . . . . 89 PRO CG . 25001 1 884 . 1 1 77 77 PRO CD C 13 51.261 . . . . . . . 89 PRO CD . 25001 1 885 . 1 1 78 78 ASN H H 1 8.456 . . . . . . . 90 ASN HN . 25001 1 886 . 1 1 78 78 ASN HA H 1 4.724 . . . . . . . 90 ASN HA . 25001 1 887 . 1 1 78 78 ASN HB2 H 1 2.781 . . . . . . . 90 ASN HB2 . 25001 1 888 . 1 1 78 78 ASN HB3 H 1 3.077 . . . . . . . 90 ASN HB3 . 25001 1 889 . 1 1 78 78 ASN C C 13 174.066 . . . . . . . 90 ASN C . 25001 1 890 . 1 1 78 78 ASN CA C 13 53.329 . . . . . . . 90 ASN CA . 25001 1 891 . 1 1 78 78 ASN CB C 13 36.764 . . . . . . . 90 ASN CB . 25001 1 892 . 1 1 78 78 ASN N N 15 115.705 . . . . . . . 90 ASN N . 25001 1 893 . 1 1 79 79 ASN H H 1 7.918 . . . . . . . 91 ASN HN . 25001 1 894 . 1 1 79 79 ASN HA H 1 4.996 . . . . . . . 91 ASN HA . 25001 1 895 . 1 1 79 79 ASN HB2 H 1 2.625 . . . . . . . 91 ASN HB2 . 25001 1 896 . 1 1 79 79 ASN HB3 H 1 2.354 . . . . . . . 91 ASN HB3 . 25001 1 897 . 1 1 79 79 ASN C C 13 171.992 . . . . . . . 91 ASN C . 25001 1 898 . 1 1 79 79 ASN CA C 13 49.748 . . . . . . . 91 ASN CA . 25001 1 899 . 1 1 79 79 ASN CB C 13 38.779 . . . . . . . 91 ASN CB . 25001 1 900 . 1 1 79 79 ASN N N 15 124.666 . . . . . . . 91 ASN N . 25001 1 901 . 1 1 80 80 PRO HA H 1 2.882 . . . . . . . 92 PRO HA . 25001 1 902 . 1 1 80 80 PRO HB2 H 1 1.812 . . . . . . . 92 PRO HB2 . 25001 1 903 . 1 1 80 80 PRO HB3 H 1 2.194 . . . . . . . 92 PRO HB3 . 25001 1 904 . 1 1 80 80 PRO HG2 H 1 1.947 . . . . . . . 92 PRO HG2 . 25001 1 905 . 1 1 80 80 PRO HG3 H 1 1.947 . . . . . . . 92 PRO HG3 . 25001 1 906 . 1 1 80 80 PRO HD2 H 1 3.463 . . . . . . . 92 PRO HD2 . 25001 1 907 . 1 1 80 80 PRO HD3 H 1 3.611 . . . . . . . 92 PRO HD3 . 25001 1 908 . 1 1 80 80 PRO CA C 13 62.953 . . . . . . . 92 PRO CA . 25001 1 909 . 1 1 80 80 PRO CB C 13 32.864 . . . . . . . 92 PRO CB . 25001 1 910 . 1 1 80 80 PRO CG C 13 26.906 . . . . . . . 92 PRO CG . 25001 1 911 . 1 1 80 80 PRO CD C 13 50.549 . . . . . . . 92 PRO CD . 25001 1 912 . 1 1 81 81 ALA H H 1 6.065 . . . . . . . 93 ALA HN . 25001 1 913 . 1 1 81 81 ALA HA H 1 4.282 . . . . . . . 93 ALA HA . 25001 1 914 . 1 1 81 81 ALA HB1 H 1 1.285 . . . . . . . 93 ALA HB3 . 25001 1 915 . 1 1 81 81 ALA HB2 H 1 1.285 . . . . . . . 93 ALA HB3 . 25001 1 916 . 1 1 81 81 ALA HB3 H 1 1.285 . . . . . . . 93 ALA HB3 . 25001 1 917 . 1 1 81 81 ALA C C 13 176.528 . . . . . . . 93 ALA C . 25001 1 918 . 1 1 81 81 ALA CA C 13 51.091 . . . . . . . 93 ALA CA . 25001 1 919 . 1 1 81 81 ALA CB C 13 21.169 . . . . . . . 93 ALA CB . 25001 1 920 . 1 1 81 81 ALA N N 15 120.746 . . . . . . . 93 ALA N . 25001 1 921 . 1 1 82 82 ASN H H 1 8.433 . . . . . . . 94 ASN HN . 25001 1 922 . 1 1 82 82 ASN HA H 1 4.683 . . . . . . . 94 ASN HA . 25001 1 923 . 1 1 82 82 ASN HB2 H 1 2.705 . . . . . . . 94 ASN HB2 . 25001 1 924 . 1 1 82 82 ASN HB3 H 1 2.719 . . . . . . . 94 ASN HB3 . 25001 1 925 . 1 1 82 82 ASN C C 13 174.633 . . . . . . . 94 ASN C . 25001 1 926 . 1 1 82 82 ASN CA C 13 52.658 . . . . . . . 94 ASN CA . 25001 1 927 . 1 1 82 82 ASN CB C 13 39.600 . . . . . . . 94 ASN CB . 25001 1 928 . 1 1 82 82 ASN N N 15 118.669 . . . . . . . 94 ASN N . 25001 1 929 . 1 1 83 83 ILE H H 1 8.25 . . . . . . . 95 ILE HN . 25001 1 930 . 1 1 83 83 ILE HA H 1 4.103 . . . . . . . 95 ILE HA . 25001 1 931 . 1 1 83 83 ILE HB H 1 1.742 . . . . . . . 95 ILE HB . 25001 1 932 . 1 1 83 83 ILE HG12 H 1 1.725 . . . . . . . 95 ILE HG12 . 25001 1 933 . 1 1 83 83 ILE HG13 H 1 1.73 . . . . . . . 95 ILE HG13 . 25001 1 934 . 1 1 83 83 ILE HG21 H 1 0.762 . . . . . . . 95 ILE HG21 . 25001 1 935 . 1 1 83 83 ILE HG22 H 1 0.762 . . . . . . . 95 ILE HG21 . 25001 1 936 . 1 1 83 83 ILE HG23 H 1 0.762 . . . . . . . 95 ILE HG21 . 25001 1 937 . 1 1 83 83 ILE HD11 H 1 0.645 . . . . . . . 95 ILE HD11 . 25001 1 938 . 1 1 83 83 ILE HD12 H 1 0.645 . . . . . . . 95 ILE HD11 . 25001 1 939 . 1 1 83 83 ILE HD13 H 1 0.645 . . . . . . . 95 ILE HD11 . 25001 1 940 . 1 1 83 83 ILE C C 13 175.484 . . . . . . . 95 ILE C . 25001 1 941 . 1 1 83 83 ILE CA C 13 61.537 . . . . . . . 95 ILE CA . 25001 1 942 . 1 1 83 83 ILE CB C 13 37.660 . . . . . . . 95 ILE CB . 25001 1 943 . 1 1 83 83 ILE CG1 C 13 27.671 . . . . . . . 95 ILE CG1 . 25001 1 944 . 1 1 83 83 ILE CG2 C 13 17.509 . . . . . . . 95 ILE CG2 . 25001 1 945 . 1 1 83 83 ILE CD1 C 13 13.154 . . . . . . . 95 ILE CD1 . 25001 1 946 . 1 1 83 83 ILE N N 15 123 . . . . . . . 95 ILE N . 25001 1 947 . 1 1 84 84 MET H H 1 8.198 . . . . . . . 96 MET HN . 25001 1 948 . 1 1 84 84 MET HA H 1 4.546 . . . . . . . 96 MET HA . 25001 1 949 . 1 1 84 84 MET HB2 H 1 1.617 . . . . . . . 96 MET HB2 . 25001 1 950 . 1 1 84 84 MET HB3 H 1 1.846 . . . . . . . 96 MET HB3 . 25001 1 951 . 1 1 84 84 MET HG2 H 1 2.343 . . . . . . . 96 MET HG2 . 25001 1 952 . 1 1 84 84 MET HG3 H 1 2.343 . . . . . . . 96 MET HG3 . 25001 1 953 . 1 1 84 84 MET C C 13 175.200 . . . . . . . 96 MET C . 25001 1 954 . 1 1 84 84 MET CA C 13 55.120 . . . . . . . 96 MET CA . 25001 1 955 . 1 1 84 84 MET CB C 13 33.481 . . . . . . . 96 MET CB . 25001 1 956 . 1 1 84 84 MET CG C 13 32.207 . . . . . . . 96 MET CG . 25001 1 957 . 1 1 84 84 MET N N 15 125.485 . . . . . . . 96 MET N . 25001 1 958 . 1 1 85 85 ASN H H 1 8.324 . . . . . . . 97 ASN HN . 25001 1 959 . 1 1 85 85 ASN HA H 1 4.566 . . . . . . . 97 ASN HA . 25001 1 960 . 1 1 85 85 ASN HB2 H 1 2.399 . . . . . . . 97 ASN HB2 . 25001 1 961 . 1 1 85 85 ASN HB3 H 1 2.702 . . . . . . . 97 ASN HB3 . 25001 1 962 . 1 1 85 85 ASN C C 13 174.499 . . . . . . . 97 ASN C . 25001 1 963 . 1 1 85 85 ASN CA C 13 53.404 . . . . . . . 97 ASN CA . 25001 1 964 . 1 1 85 85 ASN CB C 13 38.182 . . . . . . . 97 ASN CB . 25001 1 965 . 1 1 85 85 ASN N N 15 118.776 . . . . . . . 97 ASN N . 25001 1 966 . 1 1 86 86 GLY H H 1 7.880 . . . . . . . 98 GLY HN . 25001 1 967 . 1 1 86 86 GLY HA2 H 1 3.398 . . . . . . . 98 GLY HA2 . 25001 1 968 . 1 1 86 86 GLY HA3 H 1 4.005 . . . . . . . 98 GLY HA3 . 25001 1 969 . 1 1 86 86 GLY C C 13 172.410 . . . . . . . 98 GLY C . 25001 1 970 . 1 1 86 86 GLY CA C 13 45.420 . . . . . . . 98 GLY CA . 25001 1 971 . 1 1 86 86 GLY N N 15 107.269 . . . . . . . 98 GLY N . 25001 1 972 . 1 1 87 87 PHE H H 1 6.887 . . . . . . . 99 PHE HN . 25001 1 973 . 1 1 87 87 PHE HA H 1 5.054 . . . . . . . 99 PHE HA . 25001 1 974 . 1 1 87 87 PHE HB2 H 1 3.055 . . . . . . . 99 PHE HB2 . 25001 1 975 . 1 1 87 87 PHE HB3 H 1 3.23 . . . . . . . 99 PHE HB3 . 25001 1 976 . 1 1 87 87 PHE HD1 H 1 6.75 . . . . . . . 99 PHE HD1 . 25001 1 977 . 1 1 87 87 PHE HD2 H 1 6.75 . . . . . . . 99 PHE HD2 . 25001 1 978 . 1 1 87 87 PHE HE1 H 1 7.12 . . . . . . . 99 PHE HE1 . 25001 1 979 . 1 1 87 87 PHE HE2 H 1 7.12 . . . . . . . 99 PHE HE2 . 25001 1 980 . 1 1 87 87 PHE HZ H 1 7.195 . . . . . . . 99 PHE HZ . 25001 1 981 . 1 1 87 87 PHE C C 13 173.097 . . . . . . . 99 PHE C . 25001 1 982 . 1 1 87 87 PHE CA C 13 55.792 . . . . . . . 99 PHE CA . 25001 1 983 . 1 1 87 87 PHE CB C 13 39.600 . . . . . . . 99 PHE CB . 25001 1 984 . 1 1 87 87 PHE CD1 C 13 132.84 . . . . . . . 99 PHE CD1 . 25001 1 985 . 1 1 87 87 PHE CD2 C 13 132.84 . . . . . . . 99 PHE CD2 . 25001 1 986 . 1 1 87 87 PHE CE1 C 13 131.2 . . . . . . . 99 PHE CE1 . 25001 1 987 . 1 1 87 87 PHE CE2 C 13 131.2 . . . . . . . 99 PHE CE2 . 25001 1 988 . 1 1 87 87 PHE CZ C 13 130.65 . . . . . . . 99 PHE CZ . 25001 1 989 . 1 1 87 87 PHE N N 15 112.216 . . . . . . . 99 PHE N . 25001 1 990 . 1 1 88 88 VAL H H 1 9.428 . . . . . . . 100 VAL HN . 25001 1 991 . 1 1 88 88 VAL HA H 1 4.328 . . . . . . . 100 VAL HA . 25001 1 992 . 1 1 88 88 VAL HB H 1 2.139 . . . . . . . 100 VAL HB . 25001 1 993 . 1 1 88 88 VAL HG11 H 1 0.989 . . . . . . . 100 VAL HG13 . 25001 1 994 . 1 1 88 88 VAL HG12 H 1 0.989 . . . . . . . 100 VAL HG13 . 25001 1 995 . 1 1 88 88 VAL HG13 H 1 0.989 . . . . . . . 100 VAL HG13 . 25001 1 996 . 1 1 88 88 VAL HG21 H 1 0.989 . . . . . . . 100 VAL HG21 . 25001 1 997 . 1 1 88 88 VAL HG22 H 1 0.989 . . . . . . . 100 VAL HG21 . 25001 1 998 . 1 1 88 88 VAL HG23 H 1 0.989 . . . . . . . 100 VAL HG21 . 25001 1 999 . 1 1 88 88 VAL C C 13 173.708 . . . . . . . 100 VAL C . 25001 1 1000 . 1 1 88 88 VAL CA C 13 61.646 . . . . . . . 100 VAL CA . 25001 1 1001 . 1 1 88 88 VAL CB C 13 33.779 . . . . . . . 100 VAL CB . 25001 1 1002 . 1 1 88 88 VAL CG1 C 13 21.773 . . . . . . . 100 VAL CG1 . 25001 1 1003 . 1 1 88 88 VAL CG2 C 13 21.864 . . . . . . . 100 VAL CG2 . 25001 1 1004 . 1 1 88 88 VAL N N 15 119.845 . . . . . . . 100 VAL N . 25001 1 1005 . 1 1 89 89 LEU H H 1 8.354 . . . . . . . 101 LEU HN . 25001 1 1006 . 1 1 89 89 LEU HA H 1 5.802 . . . . . . . 101 LEU HA . 25001 1 1007 . 1 1 89 89 LEU HB2 H 1 1.416 . . . . . . . 101 LEU HB2 . 25001 1 1008 . 1 1 89 89 LEU HB3 H 1 2.032 . . . . . . . 101 LEU HB3 . 25001 1 1009 . 1 1 89 89 LEU HG H 1 1.629 . . . . . . . 101 LEU HG . 25001 1 1010 . 1 1 89 89 LEU HD11 H 1 0.944 . . . . . . . 101 LEU HD11 . 25001 1 1011 . 1 1 89 89 LEU HD12 H 1 0.944 . . . . . . . 101 LEU HD11 . 25001 1 1012 . 1 1 89 89 LEU HD13 H 1 0.944 . . . . . . . 101 LEU HD11 . 25001 1 1013 . 1 1 89 89 LEU HD21 H 1 0.897 . . . . . . . 101 LEU HD21 . 25001 1 1014 . 1 1 89 89 LEU HD22 H 1 0.897 . . . . . . . 101 LEU HD21 . 25001 1 1015 . 1 1 89 89 LEU HD23 H 1 0.897 . . . . . . . 101 LEU HD21 . 25001 1 1016 . 1 1 89 89 LEU C C 13 177.707 . . . . . . . 101 LEU C . 25001 1 1017 . 1 1 89 89 LEU CA C 13 53.180 . . . . . . . 101 LEU CA . 25001 1 1018 . 1 1 89 89 LEU CB C 13 45.793 . . . . . . . 101 LEU CB . 25001 1 1019 . 1 1 89 89 LEU CG C 13 27.580 . . . . . . . 101 LEU CG . 25001 1 1020 . 1 1 89 89 LEU CD1 C 13 26.2 . . . . . . . 101 LEU CD1 . 25001 1 1021 . 1 1 89 89 LEU CD2 C 13 24.586 . . . . . . . 101 LEU CD2 . 25001 1 1022 . 1 1 89 89 LEU N N 15 128.983 . . . . . . . 101 LEU N . 25001 1 1023 . 1 1 90 90 THR H H 1 9.436 . . . . . . . 102 THR HN . 25001 1 1024 . 1 1 90 90 THR HA H 1 4.170 . . . . . . . 102 THR HA . 25001 1 1025 . 1 1 90 90 THR HB H 1 4.546 . . . . . . . 102 THR HB . 25001 1 1026 . 1 1 90 90 THR HG21 H 1 1.492 . . . . . . . 102 THR HG21 . 25001 1 1027 . 1 1 90 90 THR HG22 H 1 1.492 . . . . . . . 102 THR HG21 . 25001 1 1028 . 1 1 90 90 THR HG23 H 1 1.492 . . . . . . . 102 THR HG21 . 25001 1 1029 . 1 1 90 90 THR C C 13 174.529 . . . . . . . 102 THR C . 25001 1 1030 . 1 1 90 90 THR CA C 13 62.499 . . . . . . . 102 THR CA . 25001 1 1031 . 1 1 90 90 THR CB C 13 69.708 . . . . . . . 102 THR CB . 25001 1 1032 . 1 1 90 90 THR CG2 C 13 25.130 . . . . . . . 102 THR CG2 . 25001 1 1033 . 1 1 90 90 THR N N 15 118.656 . . . . . . . 102 THR N . 25001 1 1034 . 1 1 91 91 ASN H H 1 8.705 . . . . . . . 103 ASN HN . 25001 1 1035 . 1 1 91 91 ASN HA H 1 4.725 . . . . . . . 103 ASN HA . 25001 1 1036 . 1 1 91 91 ASN HB2 H 1 2.394 . . . . . . . 103 ASN HB2 . 25001 1 1037 . 1 1 91 91 ASN HB3 H 1 2.79 . . . . . . . 103 ASN HB3 . 25001 1 1038 . 1 1 91 91 ASN C C 13 173.649 . . . . . . . 103 ASN C . 25001 1 1039 . 1 1 91 91 ASN CA C 13 51.464 . . . . . . . 103 ASN CA . 25001 1 1040 . 1 1 91 91 ASN CB C 13 37.510 . . . . . . . 103 ASN CB . 25001 1 1041 . 1 1 91 91 ASN N N 15 119.899 . . . . . . . 103 ASN N . 25001 1 1042 . 1 1 92 92 PRO HA H 1 4.386 . . . . . . . 104 PRO HA . 25001 1 1043 . 1 1 92 92 PRO HB2 H 1 2.355 . . . . . . . 104 PRO HB2 . 25001 1 1044 . 1 1 92 92 PRO HB3 H 1 2.362 . . . . . . . 104 PRO HB3 . 25001 1 1045 . 1 1 92 92 PRO HG2 H 1 1.879 . . . . . . . 104 PRO HG2 . 25001 1 1046 . 1 1 92 92 PRO HG3 H 1 1.879 . . . . . . . 104 PRO HG3 . 25001 1 1047 . 1 1 92 92 PRO HD2 H 1 3.701 . . . . . . . 104 PRO HD2 . 25001 1 1048 . 1 1 92 92 PRO HD3 H 1 3.585 . . . . . . . 104 PRO HD3 . 25001 1 1049 . 1 1 92 92 PRO C C 13 176.931 . . . . . . . 104 PRO C . 25001 1 1050 . 1 1 92 92 PRO CA C 13 64.373 . . . . . . . 104 PRO CA . 25001 1 1051 . 1 1 92 92 PRO CB C 13 31.242 . . . . . . . 104 PRO CB . 25001 1 1052 . 1 1 92 92 PRO CG C 13 28.06 . . . . . . . 104 PRO CG . 25001 1 1053 . 1 1 92 92 PRO CD C 13 51.08 . . . . . . . 104 PRO CD . 25001 1 1054 . 1 1 93 93 GLY H H 1 9.884 . . . . . . . 105 GLY HN . 25001 1 1055 . 1 1 93 93 GLY HA2 H 1 3.437 . . . . . . . 105 GLY HA2 . 25001 1 1056 . 1 1 93 93 GLY HA3 H 1 4.436 . . . . . . . 105 GLY HA3 . 25001 1 1057 . 1 1 93 93 GLY C C 13 173.962 . . . . . . . 105 GLY C . 25001 1 1058 . 1 1 93 93 GLY CA C 13 45.047 . . . . . . . 105 GLY CA . 25001 1 1059 . 1 1 93 93 GLY N N 15 114.096 . . . . . . . 105 GLY N . 25001 1 1060 . 1 1 94 94 VAL H H 1 7.384 . . . . . . . 106 VAL HN . 25001 1 1061 . 1 1 94 94 VAL HA H 1 4.472 . . . . . . . 106 VAL HA . 25001 1 1062 . 1 1 94 94 VAL HB H 1 2.325 . . . . . . . 106 VAL HB . 25001 1 1063 . 1 1 94 94 VAL HG11 H 1 1.236 . . . . . . . 106 VAL HG13 . 25001 1 1064 . 1 1 94 94 VAL HG12 H 1 1.236 . . . . . . . 106 VAL HG13 . 25001 1 1065 . 1 1 94 94 VAL HG13 H 1 1.236 . . . . . . . 106 VAL HG13 . 25001 1 1066 . 1 1 94 94 VAL HG21 H 1 1.236 . . . . . . . 106 VAL HG21 . 25001 1 1067 . 1 1 94 94 VAL HG22 H 1 1.236 . . . . . . . 106 VAL HG21 . 25001 1 1068 . 1 1 94 94 VAL HG23 H 1 1.236 . . . . . . . 106 VAL HG21 . 25001 1 1069 . 1 1 94 94 VAL C C 13 176.454 . . . . . . . 106 VAL C . 25001 1 1070 . 1 1 94 94 VAL CA C 13 63.850 . . . . . . . 106 VAL CA . 25001 1 1071 . 1 1 94 94 VAL CB C 13 32.436 . . . . . . . 106 VAL CB . 25001 1 1072 . 1 1 94 94 VAL CG1 C 13 22.136 . . . . . . . 106 VAL CG1 . 25001 1 1073 . 1 1 94 94 VAL CG2 C 13 22.136 . . . . . . . 106 VAL CG2 . 25001 1 1074 . 1 1 94 94 VAL N N 15 119.766 . . . . . . . 106 VAL N . 25001 1 1075 . 1 1 95 95 TYR H H 1 8.750 . . . . . . . 107 TYR HN . 25001 1 1076 . 1 1 95 95 TYR HA H 1 5.087 . . . . . . . 107 TYR HA . 25001 1 1077 . 1 1 95 95 TYR HB2 H 1 2.422 . . . . . . . 107 TYR HB2 . 25001 1 1078 . 1 1 95 95 TYR HB3 H 1 4.008 . . . . . . . 107 TYR HB3 . 25001 1 1079 . 1 1 95 95 TYR HD1 H 1 7.23 . . . . . . . 107 TYR HD1 . 25001 1 1080 . 1 1 95 95 TYR HD2 H 1 7.23 . . . . . . . 107 TYR HD2 . 25001 1 1081 . 1 1 95 95 TYR HE1 H 1 6.8 . . . . . . . 107 TYR HE1 . 25001 1 1082 . 1 1 95 95 TYR HE2 H 1 6.8 . . . . . . . 107 TYR HE2 . 25001 1 1083 . 1 1 95 95 TYR C C 13 172.888 . . . . . . . 107 TYR C . 25001 1 1084 . 1 1 95 95 TYR CA C 13 55.642 . . . . . . . 107 TYR CA . 25001 1 1085 . 1 1 95 95 TYR CB C 13 39.077 . . . . . . . 107 TYR CB . 25001 1 1086 . 1 1 95 95 TYR CD1 C 13 133.93 . . . . . . . 107 TYR CD1 . 25001 1 1087 . 1 1 95 95 TYR CD2 C 13 133.93 . . . . . . . 107 TYR CD2 . 25001 1 1088 . 1 1 95 95 TYR CE1 C 13 118.075 . . . . . . . 107 TYR CE1 . 25001 1 1089 . 1 1 95 95 TYR CE2 C 13 118.075 . . . . . . . 107 TYR CE2 . 25001 1 1090 . 1 1 95 95 TYR N N 15 123.904 . . . . . . . 107 TYR N . 25001 1 1091 . 1 1 96 96 GLN H H 1 7.623 . . . . . . . 108 GLN HN . 25001 1 1092 . 1 1 96 96 GLN HA H 1 5.363 . . . . . . . 108 GLN HA . 25001 1 1093 . 1 1 96 96 GLN HB2 H 1 1.613 . . . . . . . 108 GLN HB2 . 25001 1 1094 . 1 1 96 96 GLN HB3 H 1 2.026 . . . . . . . 108 GLN HB3 . 25001 1 1095 . 1 1 96 96 GLN HG2 H 1 2.048 . . . . . . . 108 GLN HG2 . 25001 1 1096 . 1 1 96 96 GLN HG3 H 1 2.045 . . . . . . . 108 GLN HG3 . 25001 1 1097 . 1 1 96 96 GLN C C 13 172.022 . . . . . . . 108 GLN C . 25001 1 1098 . 1 1 96 96 GLN CA C 13 55.434 . . . . . . . 108 GLN CA . 25001 1 1099 . 1 1 96 96 GLN CB C 13 32.212 . . . . . . . 108 GLN CB . 25001 1 1100 . 1 1 96 96 GLN CG C 13 34.929 . . . . . . . 108 GLN CG . 25001 1 1101 . 1 1 96 96 GLN N N 15 122.226 . . . . . . . 108 GLN N . 25001 1 1102 . 1 1 97 97 LEU H H 1 9.119 . . . . . . . 109 LEU HN . 25001 1 1103 . 1 1 97 97 LEU HA H 1 5.215 . . . . . . . 109 LEU HA . 25001 1 1104 . 1 1 97 97 LEU HB2 H 1 1.279 . . . . . . . 109 LEU HB2 . 25001 1 1105 . 1 1 97 97 LEU HB3 H 1 1.759 . . . . . . . 109 LEU HB3 . 25001 1 1106 . 1 1 97 97 LEU HG H 1 1.36 . . . . . . . 109 LEU HG . 25001 1 1107 . 1 1 97 97 LEU HD11 H 1 0.679 . . . . . . . 109 LEU HD11 . 25001 1 1108 . 1 1 97 97 LEU HD12 H 1 0.679 . . . . . . . 109 LEU HD11 . 25001 1 1109 . 1 1 97 97 LEU HD13 H 1 0.679 . . . . . . . 109 LEU HD11 . 25001 1 1110 . 1 1 97 97 LEU HD21 H 1 0.717 . . . . . . . 109 LEU HD21 . 25001 1 1111 . 1 1 97 97 LEU HD22 H 1 0.717 . . . . . . . 109 LEU HD21 . 25001 1 1112 . 1 1 97 97 LEU HD23 H 1 0.717 . . . . . . . 109 LEU HD21 . 25001 1 1113 . 1 1 97 97 LEU C C 13 173.858 . . . . . . . 109 LEU C . 25001 1 1114 . 1 1 97 97 LEU CA C 13 52.658 . . . . . . . 109 LEU CA . 25001 1 1115 . 1 1 97 97 LEU CB C 13 47.061 . . . . . . . 109 LEU CB . 25001 1 1116 . 1 1 97 97 LEU CG C 13 27.761 . . . . . . . 109 LEU CG . 25001 1 1117 . 1 1 97 97 LEU CD1 C 13 25.765 . . . . . . . 109 LEU CD1 . 25001 1 1118 . 1 1 97 97 LEU CD2 C 13 24.586 . . . . . . . 109 LEU CD2 . 25001 1 1119 . 1 1 97 97 LEU N N 15 127.917 . . . . . . . 109 LEU N . 25001 1 1120 . 1 1 98 98 GLY H H 1 9.417 . . . . . . . 110 GLY HN . 25001 1 1121 . 1 1 98 98 GLY HA2 H 1 3.431 . . . . . . . 110 GLY HA2 . 25001 1 1122 . 1 1 98 98 GLY HA3 H 1 5.212 . . . . . . . 110 GLY HA3 . 25001 1 1123 . 1 1 98 98 GLY C C 13 172.813 . . . . . . . 110 GLY C . 25001 1 1124 . 1 1 98 98 GLY CA C 13 44.126 . . . . . . . 110 GLY CA . 25001 1 1125 . 1 1 98 98 GLY N N 15 115.868 . . . . . . . 110 GLY N . 25001 1 1126 . 1 1 99 99 MET H H 1 8.606 . . . . . . . 111 MET HN . 25001 1 1127 . 1 1 99 99 MET HA H 1 4.808 . . . . . . . 111 MET HA . 25001 1 1128 . 1 1 99 99 MET HB2 H 1 1.533 . . . . . . . 111 MET HB2 . 25001 1 1129 . 1 1 99 99 MET HB3 H 1 2.034 . . . . . . . 111 MET HB3 . 25001 1 1130 . 1 1 99 99 MET HG2 H 1 2.207 . . . . . . . 111 MET HG2 . 25001 1 1131 . 1 1 99 99 MET HG3 H 1 2.209 . . . . . . . 111 MET HG3 . 25001 1 1132 . 1 1 99 99 MET C C 13 173.455 . . . . . . . 111 MET C . 25001 1 1133 . 1 1 99 99 MET CA C 13 55.344 . . . . . . . 111 MET CA . 25001 1 1134 . 1 1 99 99 MET CB C 13 37.560 . . . . . . . 111 MET CB . 25001 1 1135 . 1 1 99 99 MET CG C 13 31.481 . . . . . . . 111 MET CG . 25001 1 1136 . 1 1 99 99 MET N N 15 121.968 . . . . . . . 111 MET N . 25001 1 1137 . 1 1 100 100 GLN H H 1 8.364 . . . . . . . 112 GLN HN . 25001 1 1138 . 1 1 100 100 GLN HA H 1 5.837 . . . . . . . 112 GLN HA . 25001 1 1139 . 1 1 100 100 GLN HB2 H 1 1.796 . . . . . . . 112 GLN HB2 . 25001 1 1140 . 1 1 100 100 GLN HB3 H 1 2.015 . . . . . . . 112 GLN HB3 . 25001 1 1141 . 1 1 100 100 GLN HG2 H 1 2.236 . . . . . . . 112 GLN HG2 . 25001 1 1142 . 1 1 100 100 GLN HG3 H 1 2.236 . . . . . . . 112 GLN HG3 . 25001 1 1143 . 1 1 100 100 GLN C C 13 175.529 . . . . . . . 112 GLN C . 25001 1 1144 . 1 1 100 100 GLN CA C 13 53.180 . . . . . . . 112 GLN CA . 25001 1 1145 . 1 1 100 100 GLN CB C 13 33.929 . . . . . . . 112 GLN CB . 25001 1 1146 . 1 1 100 100 GLN CG C 13 34.022 . . . . . . . 112 GLN CG . 25001 1 1147 . 1 1 100 100 GLN N N 15 122.931 . . . . . . . 112 GLN N . 25001 1 1148 . 1 1 101 101 GLY H H 1 8.369 . . . . . . . 113 GLY HN . 25001 1 1149 . 1 1 101 101 GLY HA2 H 1 3.535 . . . . . . . 113 GLY HA2 . 25001 1 1150 . 1 1 101 101 GLY HA3 H 1 4.469 . . . . . . . 113 GLY HA3 . 25001 1 1151 . 1 1 101 101 GLY C C 13 171.888 . . . . . . . 113 GLY C . 25001 1 1152 . 1 1 101 101 GLY CA C 13 45.047 . . . . . . . 113 GLY CA . 25001 1 1153 . 1 1 101 101 GLY N N 15 109.542 . . . . . . . 113 GLY N . 25001 1 1154 . 1 1 102 102 SER H H 1 9.322 . . . . . . . 114 SER HN . 25001 1 1155 . 1 1 102 102 SER HA H 1 5.691 . . . . . . . 114 SER HA . 25001 1 1156 . 1 1 102 102 SER HB2 H 1 3.25 . . . . . . . 114 SER HB2 . 25001 1 1157 . 1 1 102 102 SER HB3 H 1 3.503 . . . . . . . 114 SER HB3 . 25001 1 1158 . 1 1 102 102 SER C C 13 174.037 . . . . . . . 114 SER C . 25001 1 1159 . 1 1 102 102 SER CA C 13 58.545 . . . . . . . 114 SER CA . 25001 1 1160 . 1 1 102 102 SER CB C 13 65.135 . . . . . . . 114 SER CB . 25001 1 1161 . 1 1 102 102 SER N N 15 115.328 . . . . . . . 114 SER N . 25001 1 1162 . 1 1 103 103 ILE H H 1 9.555 . . . . . . . 115 ILE HN . 25001 1 1163 . 1 1 103 103 ILE HA H 1 4.089 . . . . . . . 115 ILE HA . 25001 1 1164 . 1 1 103 103 ILE HB H 1 1.891 . . . . . . . 115 ILE HB . 25001 1 1165 . 1 1 103 103 ILE HG12 H 1 0.707 . . . . . . . 115 ILE HG12 . 25001 1 1166 . 1 1 103 103 ILE HG13 H 1 0.707 . . . . . . . 115 ILE HG13 . 25001 1 1167 . 1 1 103 103 ILE HG21 H 1 0.74 . . . . . . . 115 ILE HG21 . 25001 1 1168 . 1 1 103 103 ILE HG22 H 1 0.74 . . . . . . . 115 ILE HG21 . 25001 1 1169 . 1 1 103 103 ILE HG23 H 1 0.74 . . . . . . . 115 ILE HG21 . 25001 1 1170 . 1 1 103 103 ILE HD11 H 1 0.698 . . . . . . . 115 ILE HD11 . 25001 1 1171 . 1 1 103 103 ILE HD12 H 1 0.698 . . . . . . . 115 ILE HD11 . 25001 1 1172 . 1 1 103 103 ILE HD13 H 1 0.698 . . . . . . . 115 ILE HD11 . 25001 1 1173 . 1 1 103 103 ILE C C 13 177.215 . . . . . . . 115 ILE C . 25001 1 1174 . 1 1 103 103 ILE CA C 13 61.239 . . . . . . . 115 ILE CA . 25001 1 1175 . 1 1 103 103 ILE CB C 13 39.152 . . . . . . . 115 ILE CB . 25001 1 1176 . 1 1 103 103 ILE CG1 C 13 27.761 . . . . . . . 115 ILE CG1 . 25001 1 1177 . 1 1 103 103 ILE CG2 C 13 17.962 . . . . . . . 115 ILE CG2 . 25001 1 1178 . 1 1 103 103 ILE CD1 C 13 14.605 . . . . . . . 115 ILE CD1 . 25001 1 1179 . 1 1 103 103 ILE N N 15 123.776 . . . . . . . 115 ILE N . 25001 1 1180 . 1 1 104 104 THR H H 1 6.893 . . . . . . . 116 THR HN . 25001 1 1181 . 1 1 104 104 THR HA H 1 5.132 . . . . . . . 116 THR HA . 25001 1 1182 . 1 1 104 104 THR HB H 1 4.693 . . . . . . . 116 THR HB . 25001 1 1183 . 1 1 104 104 THR HG21 H 1 1.104 . . . . . . . 116 THR HG21 . 25001 1 1184 . 1 1 104 104 THR HG22 H 1 1.104 . . . . . . . 116 THR HG21 . 25001 1 1185 . 1 1 104 104 THR HG23 H 1 1.104 . . . . . . . 116 THR HG21 . 25001 1 1186 . 1 1 104 104 THR C C 13 175.827 . . . . . . . 116 THR C . 25001 1 1187 . 1 1 104 104 THR CA C 13 59.896 . . . . . . . 116 THR CA . 25001 1 1188 . 1 1 104 104 THR CB C 13 67.880 . . . . . . . 116 THR CB . 25001 1 1189 . 1 1 104 104 THR CG2 C 13 22.045 . . . . . . . 116 THR CG2 . 25001 1 1190 . 1 1 104 104 THR N N 15 121.847 . . . . . . . 116 THR N . 25001 1 1191 . 1 1 105 105 PRO HA H 1 4.011 . . . . . . . 117 PRO HA . 25001 1 1192 . 1 1 105 105 PRO HB2 H 1 1.781 . . . . . . . 117 PRO HB2 . 25001 1 1193 . 1 1 105 105 PRO HB3 H 1 2.519 . . . . . . . 117 PRO HB3 . 25001 1 1194 . 1 1 105 105 PRO CA C 13 65.285 . . . . . . . 117 PRO CA . 25001 1 1195 . 1 1 105 105 PRO CB C 13 32.277 . . . . . . . 117 PRO CB . 25001 1 1196 . 1 1 105 105 PRO CG C 13 28.174 . . . . . . . 117 PRO CG . 25001 1 1197 . 1 1 105 105 PRO CD C 13 51.608 . . . . . . . 117 PRO CD . 25001 1 1198 . 1 1 106 106 ALA H H 1 7.124 . . . . . . . 118 ALA HN . 25001 1 1199 . 1 1 106 106 ALA HA H 1 4.138 . . . . . . . 118 ALA HA . 25001 1 1200 . 1 1 106 106 ALA HB1 H 1 1.299 . . . . . . . 118 ALA HB3 . 25001 1 1201 . 1 1 106 106 ALA HB2 H 1 1.299 . . . . . . . 118 ALA HB3 . 25001 1 1202 . 1 1 106 106 ALA HB3 H 1 1.299 . . . . . . . 118 ALA HB3 . 25001 1 1203 . 1 1 106 106 ALA CA C 13 52.515 . . . . . . . 118 ALA CA . 25001 1 1204 . 1 1 106 106 ALA CB C 13 19.420 . . . . . . . 118 ALA CB . 25001 1 1205 . 1 1 106 106 ALA N N 15 114.5 . . . . . . . 118 ALA N . 25001 1 1206 . 1 1 107 107 ILE H H 1 6.94 . . . . . . . 119 ILE HN . 25001 1 1207 . 1 1 107 107 ILE HA H 1 3.795 . . . . . . . 119 ILE HA . 25001 1 1208 . 1 1 107 107 ILE HB H 1 1.468 . . . . . . . 119 ILE HB . 25001 1 1209 . 1 1 107 107 ILE HG12 H 1 1.194 . . . . . . . 119 ILE HG12 . 25001 1 1210 . 1 1 107 107 ILE HG13 H 1 1.811 . . . . . . . 119 ILE HG13 . 25001 1 1211 . 1 1 107 107 ILE HG21 H 1 0.204 . . . . . . . 119 ILE HG21 . 25001 1 1212 . 1 1 107 107 ILE HG22 H 1 0.204 . . . . . . . 119 ILE HG21 . 25001 1 1213 . 1 1 107 107 ILE HG23 H 1 0.204 . . . . . . . 119 ILE HG21 . 25001 1 1214 . 1 1 107 107 ILE HD11 H 1 0.939 . . . . . . . 119 ILE HD11 . 25001 1 1215 . 1 1 107 107 ILE HD12 H 1 0.939 . . . . . . . 119 ILE HD11 . 25001 1 1216 . 1 1 107 107 ILE HD13 H 1 0.939 . . . . . . . 119 ILE HD11 . 25001 1 1217 . 1 1 107 107 ILE CA C 13 59.444 . . . . . . . 119 ILE CA . 25001 1 1218 . 1 1 107 107 ILE CB C 13 37.563 . . . . . . . 119 ILE CB . 25001 1 1219 . 1 1 107 107 ILE CG1 C 13 27.035 . . . . . . . 119 ILE CG1 . 25001 1 1220 . 1 1 107 107 ILE CG2 C 13 16.601 . . . . . . . 119 ILE CG2 . 25001 1 1221 . 1 1 107 107 ILE CD1 C 13 13.154 . . . . . . . 119 ILE CD1 . 25001 1 1222 . 1 1 107 107 ILE N N 15 120.3 . . . . . . . 119 ILE N . 25001 1 1223 . 1 1 108 108 PRO HA H 1 4.749 . . . . . . . 120 PRO HA . 25001 1 1224 . 1 1 108 108 PRO HB2 H 1 1.797 . . . . . . . 120 PRO HB2 . 25001 1 1225 . 1 1 108 108 PRO HB3 H 1 2.191 . . . . . . . 120 PRO HB3 . 25001 1 1226 . 1 1 108 108 PRO CA C 13 62.732 . . . . . . . 120 PRO CA . 25001 1 1227 . 1 1 108 108 PRO CB C 13 32.184 . . . . . . . 120 PRO CB . 25001 1 1228 . 1 1 108 108 PRO CG C 13 27.900 . . . . . . . 120 PRO CG . 25001 1 1229 . 1 1 108 108 PRO CD C 13 51.334 . . . . . . . 120 PRO CD . 25001 1 1230 . 1 1 109 109 LEU H H 1 8.08 . . . . . . . 121 LEU HN . 25001 1 1231 . 1 1 109 109 LEU HA H 1 4.077 . . . . . . . 121 LEU HA . 25001 1 1232 . 1 1 109 109 LEU HB2 H 1 1.354 . . . . . . . 121 LEU HB2 . 25001 1 1233 . 1 1 109 109 LEU HB3 H 1 0.993 . . . . . . . 121 LEU HB3 . 25001 1 1234 . 1 1 109 109 LEU CA C 13 54.977 . . . . . . . 121 LEU CA . 25001 1 1235 . 1 1 109 109 LEU CB C 13 41.939 . . . . . . . 121 LEU CB . 25001 1 1236 . 1 1 109 109 LEU N N 15 122.7 . . . . . . . 121 LEU N . 25001 1 1237 . 1 1 110 110 ARG H H 1 8.14 . . . . . . . 122 ARG HN . 25001 1 1238 . 1 1 110 110 ARG HA H 1 4.692 . . . . . . . 122 ARG HA . 25001 1 1239 . 1 1 110 110 ARG HB3 H 1 1.968 . . . . . . . 122 ARG HB3 . 25001 1 1240 . 1 1 110 110 ARG CA C 13 52.971 . . . . . . . 122 ARG CA . 25001 1 1241 . 1 1 110 110 ARG CB C 13 30.360 . . . . . . . 122 ARG CB . 25001 1 1242 . 1 1 110 110 ARG N N 15 123.4 . . . . . . . 122 ARG N . 25001 1 1243 . 1 1 111 111 PRO HA H 1 4.415 . . . . . . . 123 PRO HA . 25001 1 1244 . 1 1 111 111 PRO HB2 H 1 1.86 . . . . . . . 123 PRO HB2 . 25001 1 1245 . 1 1 111 111 PRO HB3 H 1 2.32 . . . . . . . 123 PRO HB3 . 25001 1 1246 . 1 1 111 111 PRO HG2 H 1 1.789 . . . . . . . 123 PRO HG2 . 25001 1 1247 . 1 1 111 111 PRO HG3 H 1 2.198 . . . . . . . 123 PRO HG3 . 25001 1 1248 . 1 1 111 111 PRO HD2 H 1 3.559 . . . . . . . 123 PRO HD2 . 25001 1 1249 . 1 1 111 111 PRO HD3 H 1 3.657 . . . . . . . 123 PRO HD3 . 25001 1 1250 . 1 1 111 111 PRO CA C 13 64.3 . . . . . . . 123 PRO CA . 25001 1 1251 . 1 1 111 111 PRO CB C 13 31.7 . . . . . . . 123 PRO CB . 25001 1 1252 . 1 1 111 111 PRO CG C 13 28.5 . . . . . . . 123 PRO CG . 25001 1 1253 . 1 1 111 111 PRO CD C 13 50.787 . . . . . . . 123 PRO CD . 25001 1 1254 . 1 1 112 112 GLY H H 1 9.715 . . . . . . . 124 GLY HN . 25001 1 1255 . 1 1 112 112 GLY HA2 H 1 3.465 . . . . . . . 124 GLY HA2 . 25001 1 1256 . 1 1 112 112 GLY HA3 H 1 4.399 . . . . . . . 124 GLY HA3 . 25001 1 1257 . 1 1 112 112 GLY C C 13 171 . . . . . . . 124 GLY C . 25001 1 1258 . 1 1 112 112 GLY CA C 13 45.221 . . . . . . . 124 GLY CA . 25001 1 1259 . 1 1 112 112 GLY N N 15 114 . . . . . . . 124 GLY N . 25001 1 1260 . 1 1 113 113 LEU H H 1 8.17 . . . . . . . 125 LEU HN . 25001 1 1261 . 1 1 113 113 LEU HA H 1 5.181 . . . . . . . 125 LEU HA . 25001 1 1262 . 1 1 113 113 LEU HB2 H 1 1.276 . . . . . . . 125 LEU HB2 . 25001 1 1263 . 1 1 113 113 LEU HB3 H 1 1.594 . . . . . . . 125 LEU HB3 . 25001 1 1264 . 1 1 113 113 LEU HG H 1 1.693 . . . . . . . 125 LEU HG . 25001 1 1265 . 1 1 113 113 LEU HD11 H 1 0.9 . . . . . . . 125 LEU HD11 . 25001 1 1266 . 1 1 113 113 LEU HD12 H 1 0.9 . . . . . . . 125 LEU HD11 . 25001 1 1267 . 1 1 113 113 LEU HD13 H 1 0.9 . . . . . . . 125 LEU HD11 . 25001 1 1268 . 1 1 113 113 LEU HD21 H 1 0.9 . . . . . . . 125 LEU HD21 . 25001 1 1269 . 1 1 113 113 LEU HD22 H 1 0.9 . . . . . . . 125 LEU HD21 . 25001 1 1270 . 1 1 113 113 LEU HD23 H 1 0.9 . . . . . . . 125 LEU HD21 . 25001 1 1271 . 1 1 113 113 LEU C C 13 177.036 . . . . . . . 125 LEU C . 25001 1 1272 . 1 1 113 113 LEU CA C 13 54.979 . . . . . . . 125 LEU CA . 25001 1 1273 . 1 1 113 113 LEU CB C 13 44.077 . . . . . . . 125 LEU CB . 25001 1 1274 . 1 1 113 113 LEU CG C 13 28.124 . . . . . . . 125 LEU CG . 25001 1 1275 . 1 1 113 113 LEU CD1 C 13 25.312 . . . . . . . 125 LEU CD1 . 25001 1 1276 . 1 1 113 113 LEU CD2 C 13 25.312 . . . . . . . 125 LEU CD2 . 25001 1 1277 . 1 1 113 113 LEU N N 15 119.36 . . . . . . . 125 LEU N . 25001 1 1278 . 1 1 114 114 TYR H H 1 9.531 . . . . . . . 126 TYR HN . 25001 1 1279 . 1 1 114 114 TYR HA H 1 5.095 . . . . . . . 126 TYR HA . 25001 1 1280 . 1 1 114 114 TYR HB2 H 1 2.845 . . . . . . . 126 TYR HB2 . 25001 1 1281 . 1 1 114 114 TYR HB3 H 1 2.845 . . . . . . . 126 TYR HB3 . 25001 1 1282 . 1 1 114 114 TYR HD1 H 1 6.84 . . . . . . . 126 TYR HD1 . 25001 1 1283 . 1 1 114 114 TYR HD2 H 1 6.84 . . . . . . . 126 TYR HD2 . 25001 1 1284 . 1 1 114 114 TYR HE1 H 1 7.13 . . . . . . . 126 TYR HE1 . 25001 1 1285 . 1 1 114 114 TYR HE2 H 1 7.13 . . . . . . . 126 TYR HE2 . 25001 1 1286 . 1 1 114 114 TYR C C 13 174.288 . . . . . . . 126 TYR C . 25001 1 1287 . 1 1 114 114 TYR CA C 13 56.840 . . . . . . . 126 TYR CA . 25001 1 1288 . 1 1 114 114 TYR CB C 13 42.266 . . . . . . . 126 TYR CB . 25001 1 1289 . 1 1 114 114 TYR CD1 C 13 132.837 . . . . . . . 126 TYR CD1 . 25001 1 1290 . 1 1 114 114 TYR CD2 C 13 132.837 . . . . . . . 126 TYR CD2 . 25001 1 1291 . 1 1 114 114 TYR CE1 C 13 118.622 . . . . . . . 126 TYR CE1 . 25001 1 1292 . 1 1 114 114 TYR CE2 C 13 118.622 . . . . . . . 126 TYR CE2 . 25001 1 1293 . 1 1 114 114 TYR N N 15 123.146 . . . . . . . 126 TYR N . 25001 1 1294 . 1 1 115 115 GLU H H 1 9.726 . . . . . . . 127 GLU HN . 25001 1 1295 . 1 1 115 115 GLU HA H 1 5.700 . . . . . . . 127 GLU HA . 25001 1 1296 . 1 1 115 115 GLU HB2 H 1 1.899 . . . . . . . 127 GLU HB2 . 25001 1 1297 . 1 1 115 115 GLU HB3 H 1 1.899 . . . . . . . 127 GLU HB3 . 25001 1 1298 . 1 1 115 115 GLU HG2 H 1 2.163 . . . . . . . 127 GLU HG2 . 25001 1 1299 . 1 1 115 115 GLU HG3 H 1 2.163 . . . . . . . 127 GLU HG3 . 25001 1 1300 . 1 1 115 115 GLU C C 13 175.141 . . . . . . . 127 GLU C . 25001 1 1301 . 1 1 115 115 GLU CA C 13 54.127 . . . . . . . 127 GLU CA . 25001 1 1302 . 1 1 115 115 GLU CB C 13 34.591 . . . . . . . 127 GLU CB . 25001 1 1303 . 1 1 115 115 GLU CG C 13 36.018 . . . . . . . 127 GLU CG . 25001 1 1304 . 1 1 115 115 GLU N N 15 117.746 . . . . . . . 127 GLU N . 25001 1 1305 . 1 1 116 116 VAL H H 1 8.709 . . . . . . . 128 VAL HN . 25001 1 1306 . 1 1 116 116 VAL HA H 1 4.777 . . . . . . . 128 VAL HA . 25001 1 1307 . 1 1 116 116 VAL HB H 1 2.095 . . . . . . . 128 VAL HB . 25001 1 1308 . 1 1 116 116 VAL HG11 H 1 0.918 . . . . . . . 128 VAL HG13 . 25001 1 1309 . 1 1 116 116 VAL HG12 H 1 0.918 . . . . . . . 128 VAL HG13 . 25001 1 1310 . 1 1 116 116 VAL HG13 H 1 0.918 . . . . . . . 128 VAL HG13 . 25001 1 1311 . 1 1 116 116 VAL HG21 H 1 0.976 . . . . . . . 128 VAL HG21 . 25001 1 1312 . 1 1 116 116 VAL HG22 H 1 0.976 . . . . . . . 128 VAL HG21 . 25001 1 1313 . 1 1 116 116 VAL HG23 H 1 0.976 . . . . . . . 128 VAL HG21 . 25001 1 1314 . 1 1 116 116 VAL C C 13 174.489 . . . . . . . 128 VAL C . 25001 1 1315 . 1 1 116 116 VAL CA C 13 61.686 . . . . . . . 128 VAL CA . 25001 1 1316 . 1 1 116 116 VAL CB C 13 35.212 . . . . . . . 128 VAL CB . 25001 1 1317 . 1 1 116 116 VAL CG1 C 13 20.503 . . . . . . . 128 VAL CG1 . 25001 1 1318 . 1 1 116 116 VAL CG2 C 13 22.317 . . . . . . . 128 VAL CG2 . 25001 1 1319 . 1 1 116 116 VAL N N 15 120.341 . . . . . . . 128 VAL N . 25001 1 1320 . 1 1 117 117 VAL H H 1 8.713 . . . . . . . 129 VAL HN . 25001 1 1321 . 1 1 117 117 VAL HA H 1 4.772 . . . . . . . 129 VAL HA . 25001 1 1322 . 1 1 117 117 VAL HB H 1 1.751 . . . . . . . 129 VAL HB . 25001 1 1323 . 1 1 117 117 VAL HG11 H 1 0.941 . . . . . . . 129 VAL HG13 . 25001 1 1324 . 1 1 117 117 VAL HG12 H 1 0.941 . . . . . . . 129 VAL HG13 . 25001 1 1325 . 1 1 117 117 VAL HG13 H 1 0.941 . . . . . . . 129 VAL HG13 . 25001 1 1326 . 1 1 117 117 VAL HG21 H 1 0.719 . . . . . . . 129 VAL HG21 . 25001 1 1327 . 1 1 117 117 VAL HG22 H 1 0.719 . . . . . . . 129 VAL HG21 . 25001 1 1328 . 1 1 117 117 VAL HG23 H 1 0.719 . . . . . . . 129 VAL HG21 . 25001 1 1329 . 1 1 117 117 VAL C C 13 174.231 . . . . . . . 129 VAL C . 25001 1 1330 . 1 1 117 117 VAL CA C 13 61.686 . . . . . . . 129 VAL CA . 25001 1 1331 . 1 1 117 117 VAL CB C 13 34.376 . . . . . . . 129 VAL CB . 25001 1 1332 . 1 1 117 117 VAL CG1 C 13 21.319 . . . . . . . 129 VAL CG1 . 25001 1 1333 . 1 1 117 117 VAL CG2 C 13 20.957 . . . . . . . 129 VAL CG2 . 25001 1 1334 . 1 1 117 117 VAL N N 15 127.394 . . . . . . . 129 VAL N . 25001 1 1335 . 1 1 118 118 LEU H H 1 8.803 . . . . . . . 130 LEU HN . 25001 1 1336 . 1 1 118 118 LEU HA H 1 4.338 . . . . . . . 130 LEU HA . 25001 1 1337 . 1 1 118 118 LEU HB2 H 1 1.22 . . . . . . . 130 LEU HB2 . 25001 1 1338 . 1 1 118 118 LEU HB3 H 1 1.22 . . . . . . . 130 LEU HB3 . 25001 1 1339 . 1 1 118 118 LEU HG H 1 0.535 . . . . . . . 130 LEU HG . 25001 1 1340 . 1 1 118 118 LEU HD11 H 1 0.571 . . . . . . . 130 LEU HD11 . 25001 1 1341 . 1 1 118 118 LEU HD12 H 1 0.571 . . . . . . . 130 LEU HD11 . 25001 1 1342 . 1 1 118 118 LEU HD13 H 1 0.571 . . . . . . . 130 LEU HD11 . 25001 1 1343 . 1 1 118 118 LEU HD21 H 1 0.57 . . . . . . . 130 LEU HD21 . 25001 1 1344 . 1 1 118 118 LEU HD22 H 1 0.57 . . . . . . . 130 LEU HD21 . 25001 1 1345 . 1 1 118 118 LEU HD23 H 1 0.57 . . . . . . . 130 LEU HD21 . 25001 1 1346 . 1 1 118 118 LEU C C 13 173.246 . . . . . . . 130 LEU C . 25001 1 1347 . 1 1 118 118 LEU CA C 13 53.255 . . . . . . . 130 LEU CA . 25001 1 1348 . 1 1 118 118 LEU CB C 13 45.817 . . . . . . . 130 LEU CB . 25001 1 1349 . 1 1 118 118 LEU CG C 13 26.763 . . . . . . . 130 LEU CG . 25001 1 1350 . 1 1 118 118 LEU CD1 C 13 23.769 . . . . . . . 130 LEU CD1 . 25001 1 1351 . 1 1 118 118 LEU CD2 C 13 23.769 . . . . . . . 130 LEU CD2 . 25001 1 1352 . 1 1 118 118 LEU N N 15 127.350 . . . . . . . 130 LEU N . 25001 1 1353 . 1 1 119 119 ASN H H 1 7.885 . . . . . . . 131 ASN HN . 25001 1 1354 . 1 1 119 119 ASN HA H 1 4.984 . . . . . . . 131 ASN HA . 25001 1 1355 . 1 1 119 119 ASN HB2 H 1 0.485 . . . . . . . 131 ASN HB2 . 25001 1 1356 . 1 1 119 119 ASN HB3 H 1 1.086 . . . . . . . 131 ASN HB3 . 25001 1 1357 . 1 1 119 119 ASN C C 13 173.186 . . . . . . . 131 ASN C . 25001 1 1358 . 1 1 119 119 ASN CA C 13 51.258 . . . . . . . 131 ASN CA . 25001 1 1359 . 1 1 119 119 ASN CB C 13 41.316 . . . . . . . 131 ASN CB . 25001 1 1360 . 1 1 119 119 ASN N N 15 123.090 . . . . . . . 131 ASN N . 25001 1 1361 . 1 1 120 120 ALA H H 1 8.595 . . . . . . . 132 ALA HN . 25001 1 1362 . 1 1 120 120 ALA HA H 1 5.362 . . . . . . . 132 ALA HA . 25001 1 1363 . 1 1 120 120 ALA HB1 H 1 1.157 . . . . . . . 132 ALA HB3 . 25001 1 1364 . 1 1 120 120 ALA HB2 H 1 1.157 . . . . . . . 132 ALA HB3 . 25001 1 1365 . 1 1 120 120 ALA HB3 H 1 1.157 . . . . . . . 132 ALA HB3 . 25001 1 1366 . 1 1 120 120 ALA C C 13 174.708 . . . . . . . 132 ALA C . 25001 1 1367 . 1 1 120 120 ALA CA C 13 51.538 . . . . . . . 132 ALA CA . 25001 1 1368 . 1 1 120 120 ALA CB C 13 23.930 . . . . . . . 132 ALA CB . 25001 1 1369 . 1 1 120 120 ALA N N 15 119.101 . . . . . . . 132 ALA N . 25001 1 1370 . 1 1 121 121 GLU H H 1 9.438 . . . . . . . 133 GLU HN . 25001 1 1371 . 1 1 121 121 GLU HA H 1 4.992 . . . . . . . 133 GLU HA . 25001 1 1372 . 1 1 121 121 GLU HB2 H 1 2.126 . . . . . . . 133 GLU HB2 . 25001 1 1373 . 1 1 121 121 GLU HB3 H 1 2.126 . . . . . . . 133 GLU HB3 . 25001 1 1374 . 1 1 121 121 GLU C C 13 173.693 . . . . . . . 133 GLU C . 25001 1 1375 . 1 1 121 121 GLU CA C 13 54.282 . . . . . . . 133 GLU CA . 25001 1 1376 . 1 1 121 121 GLU CB C 13 34.838 . . . . . . . 133 GLU CB . 25001 1 1377 . 1 1 121 121 GLU CG C 13 35.201 . . . . . . . 133 GLU CG . 25001 1 1378 . 1 1 121 121 GLU N N 15 117.053 . . . . . . . 133 GLU N . 25001 1 1379 . 1 1 122 122 LEU H H 1 8.469 . . . . . . . 134 LEU HN . 25001 1 1380 . 1 1 122 122 LEU HA H 1 5.203 . . . . . . . 134 LEU HA . 25001 1 1381 . 1 1 122 122 LEU HB2 H 1 1.425 . . . . . . . 134 LEU HB2 . 25001 1 1382 . 1 1 122 122 LEU HB3 H 1 1.596 . . . . . . . 134 LEU HB3 . 25001 1 1383 . 1 1 122 122 LEU HG H 1 1.42 . . . . . . . 134 LEU HG . 25001 1 1384 . 1 1 122 122 LEU HD11 H 1 0.651 . . . . . . . 134 LEU HD11 . 25001 1 1385 . 1 1 122 122 LEU HD12 H 1 0.651 . . . . . . . 134 LEU HD11 . 25001 1 1386 . 1 1 122 122 LEU HD13 H 1 0.651 . . . . . . . 134 LEU HD11 . 25001 1 1387 . 1 1 122 122 LEU HD21 H 1 0.711 . . . . . . . 134 LEU HD21 . 25001 1 1388 . 1 1 122 122 LEU HD22 H 1 0.711 . . . . . . . 134 LEU HD21 . 25001 1 1389 . 1 1 122 122 LEU HD23 H 1 0.711 . . . . . . . 134 LEU HD21 . 25001 1 1390 . 1 1 122 122 LEU C C 13 176.648 . . . . . . . 134 LEU C . 25001 1 1391 . 1 1 122 122 LEU CA C 13 53.852 . . . . . . . 134 LEU CA . 25001 1 1392 . 1 1 122 122 LEU CB C 13 44.204 . . . . . . . 134 LEU CB . 25001 1 1393 . 1 1 122 122 LEU CG C 13 27.217 . . . . . . . 134 LEU CG . 25001 1 1394 . 1 1 122 122 LEU CD1 C 13 25.493 . . . . . . . 134 LEU CD1 . 25001 1 1395 . 1 1 122 122 LEU CD2 C 13 23.860 . . . . . . . 134 LEU CD2 . 25001 1 1396 . 1 1 122 122 LEU N N 15 121.551 . . . . . . . 134 LEU N . 25001 1 1397 . 1 1 123 123 VAL H H 1 9.159 . . . . . . . 135 VAL HN . 25001 1 1398 . 1 1 123 123 VAL HA H 1 4.733 . . . . . . . 135 VAL HA . 25001 1 1399 . 1 1 123 123 VAL HB H 1 2.056 . . . . . . . 135 VAL HB . 25001 1 1400 . 1 1 123 123 VAL HG11 H 1 0.761 . . . . . . . 135 VAL HG13 . 25001 1 1401 . 1 1 123 123 VAL HG12 H 1 0.761 . . . . . . . 135 VAL HG13 . 25001 1 1402 . 1 1 123 123 VAL HG13 H 1 0.761 . . . . . . . 135 VAL HG13 . 25001 1 1403 . 1 1 123 123 VAL HG21 H 1 0.761 . . . . . . . 135 VAL HG21 . 25001 1 1404 . 1 1 123 123 VAL HG22 H 1 0.761 . . . . . . . 135 VAL HG21 . 25001 1 1405 . 1 1 123 123 VAL HG23 H 1 0.761 . . . . . . . 135 VAL HG21 . 25001 1 1406 . 1 1 123 123 VAL C C 13 175.723 . . . . . . . 135 VAL C . 25001 1 1407 . 1 1 123 123 VAL CA C 13 59.821 . . . . . . . 135 VAL CA . 25001 1 1408 . 1 1 123 123 VAL CB C 13 34.824 . . . . . . . 135 VAL CB . 25001 1 1409 . 1 1 123 123 VAL CG1 C 13 21.955 . . . . . . . 135 VAL CG1 . 25001 1 1410 . 1 1 123 123 VAL CG2 C 13 20.321 . . . . . . . 135 VAL CG2 . 25001 1 1411 . 1 1 123 123 VAL N N 15 120.484 . . . . . . . 135 VAL N . 25001 1 1412 . 1 1 124 124 THR H H 1 8.521 . . . . . . . 136 THR HN . 25001 1 1413 . 1 1 124 124 THR HA H 1 4.711 . . . . . . . 136 THR HA . 25001 1 1414 . 1 1 124 124 THR HB H 1 4.436 . . . . . . . 136 THR HB . 25001 1 1415 . 1 1 124 124 THR HG21 H 1 1.223 . . . . . . . 136 THR HG21 . 25001 1 1416 . 1 1 124 124 THR HG22 H 1 1.223 . . . . . . . 136 THR HG21 . 25001 1 1417 . 1 1 124 124 THR HG23 H 1 1.223 . . . . . . . 136 THR HG21 . 25001 1 1418 . 1 1 124 124 THR C C 13 174.660 . . . . . . . 136 THR C . 25001 1 1419 . 1 1 124 124 THR CA C 13 60.493 . . . . . . . 136 THR CA . 25001 1 1420 . 1 1 124 124 THR CB C 13 70.566 . . . . . . . 136 THR CB . 25001 1 1421 . 1 1 124 124 THR CG2 C 13 21.682 . . . . . . . 136 THR CG2 . 25001 1 1422 . 1 1 124 124 THR N N 15 114.114 . . . . . . . 136 THR N . 25001 1 1423 . 1 1 125 125 ASN H H 1 8.560 . . . . . . . 137 ASN HN . 25001 1 1424 . 1 1 125 125 ASN HA H 1 4.7 . . . . . . . 137 ASN HA . 25001 1 1425 . 1 1 125 125 ASN HB2 H 1 2.869 . . . . . . . 137 ASN HB2 . 25001 1 1426 . 1 1 125 125 ASN HB3 H 1 2.928 . . . . . . . 137 ASN HB3 . 25001 1 1427 . 1 1 125 125 ASN C C 13 174.977 . . . . . . . 137 ASN C . 25001 1 1428 . 1 1 125 125 ASN CA C 13 54.075 . . . . . . . 137 ASN CA . 25001 1 1429 . 1 1 125 125 ASN CB C 13 38.928 . . . . . . . 137 ASN CB . 25001 1 1430 . 1 1 125 125 ASN N N 15 118.879 . . . . . . . 137 ASN N . 25001 1 1431 . 1 1 126 126 ASP H H 1 8.134 . . . . . . . 138 ASP HN . 25001 1 1432 . 1 1 126 126 ASP HA H 1 4.625 . . . . . . . 138 ASP HA . 25001 1 1433 . 1 1 126 126 ASP HB2 H 1 2.693 . . . . . . . 138 ASP HB2 . 25001 1 1434 . 1 1 126 126 ASP HB3 H 1 2.693 . . . . . . . 138 ASP HB3 . 25001 1 1435 . 1 1 126 126 ASP C C 13 175.812 . . . . . . . 138 ASP C . 25001 1 1436 . 1 1 126 126 ASP CA C 13 53.702 . . . . . . . 138 ASP CA . 25001 1 1437 . 1 1 126 126 ASP CB C 13 41.241 . . . . . . . 138 ASP CB . 25001 1 1438 . 1 1 126 126 ASP N N 15 118.526 . . . . . . . 138 ASP N . 25001 1 1439 . 1 1 127 127 ASN H H 1 8.471 . . . . . . . 139 ASN HN . 25001 1 1440 . 1 1 127 127 ASN HA H 1 4.514 . . . . . . . 139 ASN HA . 25001 1 1441 . 1 1 127 127 ASN HB2 H 1 2.732 . . . . . . . 139 ASN HB2 . 25001 1 1442 . 1 1 127 127 ASN HB3 H 1 2.918 . . . . . . . 139 ASN HB3 . 25001 1 1443 . 1 1 127 127 ASN CA C 13 53.892 . . . . . . . 139 ASN CA . 25001 1 1444 . 1 1 127 127 ASN CB C 13 38.256 . . . . . . . 139 ASN CB . 25001 1 1445 . 1 1 127 127 ASN N N 15 119.516 . . . . . . . 139 ASN N . 25001 1 1446 . 1 1 128 128 LYS H H 1 8.165 . . . . . . . 140 LYS HN . 25001 1 1447 . 1 1 128 128 LYS HA H 1 4.26 . . . . . . . 140 LYS HA . 25001 1 1448 . 1 1 128 128 LYS HB2 H 1 1.832 . . . . . . . 140 LYS HB2 . 25001 1 1449 . 1 1 128 128 LYS HB3 H 1 1.832 . . . . . . . 140 LYS HB3 . 25001 1 1450 . 1 1 128 128 LYS HG2 H 1 1.406 . . . . . . . 140 LYS HG2 . 25001 1 1451 . 1 1 128 128 LYS HG3 H 1 1.390 . . . . . . . 140 LYS HG3 . 25001 1 1452 . 1 1 128 128 LYS HD2 H 1 1.683 . . . . . . . 140 LYS HD2 . 25001 1 1453 . 1 1 128 128 LYS HD3 H 1 1.618 . . . . . . . 140 LYS HD3 . 25001 1 1454 . 1 1 128 128 LYS HE2 H 1 2.996 . . . . . . . 140 LYS HE2 . 25001 1 1455 . 1 1 128 128 LYS HE3 H 1 2.996 . . . . . . . 140 LYS HE3 . 25001 1 1456 . 1 1 128 128 LYS C C 13 177.053 . . . . . . . 140 LYS C . 25001 1 1457 . 1 1 128 128 LYS CA C 13 57.209 . . . . . . . 140 LYS CA . 25001 1 1458 . 1 1 128 128 LYS CB C 13 32.586 . . . . . . . 140 LYS CB . 25001 1 1459 . 1 1 128 128 LYS CG C 13 25.221 . . . . . . . 140 LYS CG . 25001 1 1460 . 1 1 128 128 LYS CD C 13 28.941 . . . . . . . 140 LYS CD . 25001 1 1461 . 1 1 128 128 LYS CE C 13 41.915 . . . . . . . 140 LYS CE . 25001 1 1462 . 1 1 128 128 LYS N N 15 119.363 . . . . . . . 140 LYS N . 25001 1 1463 . 1 1 129 129 GLN H H 1 8.074 . . . . . . . 141 GLN HN . 25001 1 1464 . 1 1 129 129 GLN C C 13 176.195 . . . . . . . 141 GLN C . 25001 1 1465 . 1 1 129 129 GLN N N 15 118.986 . . . . . . . 141 GLN N . 25001 1 1466 . 1 1 130 130 ASN H H 1 8.312 . . . . . . . 142 ASN HN . 25001 1 1467 . 1 1 130 130 ASN HA H 1 4.708 . . . . . . . 142 ASN HA . 25001 1 1468 . 1 1 130 130 ASN HB2 H 1 2.729 . . . . . . . 142 ASN HB2 . 25001 1 1469 . 1 1 130 130 ASN HB3 H 1 2.820 . . . . . . . 142 ASN HB3 . 25001 1 1470 . 1 1 130 130 ASN C C 13 175.275 . . . . . . . 142 ASN C . 25001 1 1471 . 1 1 130 130 ASN CA C 13 53.553 . . . . . . . 142 ASN CA . 25001 1 1472 . 1 1 130 130 ASN CB C 13 38.779 . . . . . . . 142 ASN CB . 25001 1 1473 . 1 1 130 130 ASN N N 15 118.998 . . . . . . . 142 ASN N . 25001 1 1474 . 1 1 131 131 ALA H H 1 8.162 . . . . . . . 143 ALA HN . 25001 1 1475 . 1 1 131 131 ALA HA H 1 4.334 . . . . . . . 143 ALA HA . 25001 1 1476 . 1 1 131 131 ALA HB1 H 1 1.417 . . . . . . . 143 ALA HB3 . 25001 1 1477 . 1 1 131 131 ALA HB2 H 1 1.417 . . . . . . . 143 ALA HB3 . 25001 1 1478 . 1 1 131 131 ALA HB3 H 1 1.417 . . . . . . . 143 ALA HB3 . 25001 1 1479 . 1 1 131 131 ALA C C 13 177.916 . . . . . . . 143 ALA C . 25001 1 1480 . 1 1 131 131 ALA CA C 13 53.105 . . . . . . . 143 ALA CA . 25001 1 1481 . 1 1 131 131 ALA CB C 13 19.677 . . . . . . . 143 ALA CB . 25001 1 1482 . 1 1 131 131 ALA N N 15 123.813 . . . . . . . 143 ALA N . 25001 1 1483 . 1 1 132 132 THR H H 1 8 . . . . . . . 144 THR HN . 25001 1 1484 . 1 1 132 132 THR HA H 1 4.323 . . . . . . . 144 THR HA . 25001 1 1485 . 1 1 132 132 THR HB H 1 4.355 . . . . . . . 144 THR HB . 25001 1 1486 . 1 1 132 132 THR HG21 H 1 1.169 . . . . . . . 144 THR HG21 . 25001 1 1487 . 1 1 132 132 THR HG22 H 1 1.169 . . . . . . . 144 THR HG21 . 25001 1 1488 . 1 1 132 132 THR HG23 H 1 1.169 . . . . . . . 144 THR HG21 . 25001 1 1489 . 1 1 132 132 THR C C 13 174.126 . . . . . . . 144 THR C . 25001 1 1490 . 1 1 132 132 THR CA C 13 61.761 . . . . . . . 144 THR CA . 25001 1 1491 . 1 1 132 132 THR CB C 13 69.670 . . . . . . . 144 THR CB . 25001 1 1492 . 1 1 132 132 THR CG2 C 13 22.045 . . . . . . . 144 THR CG2 . 25001 1 1493 . 1 1 132 132 THR N N 15 111.79 . . . . . . . 144 THR N . 25001 1 1494 . 1 1 133 133 ALA H H 1 8.133 . . . . . . . 145 ALA HN . 25001 1 1495 . 1 1 133 133 ALA HA H 1 4.350 . . . . . . . 145 ALA HA . 25001 1 1496 . 1 1 133 133 ALA HB1 H 1 1.429 . . . . . . . 145 ALA HB3 . 25001 1 1497 . 1 1 133 133 ALA HB2 H 1 1.429 . . . . . . . 145 ALA HB3 . 25001 1 1498 . 1 1 133 133 ALA HB3 H 1 1.429 . . . . . . . 145 ALA HB3 . 25001 1 1499 . 1 1 133 133 ALA C C 13 176.931 . . . . . . . 145 ALA C . 25001 1 1500 . 1 1 133 133 ALA CA C 13 52.732 . . . . . . . 145 ALA CA . 25001 1 1501 . 1 1 133 133 ALA CB C 13 20.124 . . . . . . . 145 ALA CB . 25001 1 1502 . 1 1 133 133 ALA N N 15 127.3 . . . . . . . 145 ALA N . 25001 1 1503 . 1 1 134 134 VAL H H 1 8.094 . . . . . . . 146 VAL HN . 25001 1 1504 . 1 1 134 134 VAL HA H 1 4.252 . . . . . . . 146 VAL HA . 25001 1 1505 . 1 1 134 134 VAL HB H 1 2.139 . . . . . . . 146 VAL HB . 25001 1 1506 . 1 1 134 134 VAL HG11 H 1 1.053 . . . . . . . 146 VAL HG13 . 25001 1 1507 . 1 1 134 134 VAL HG12 H 1 1.053 . . . . . . . 146 VAL HG13 . 25001 1 1508 . 1 1 134 134 VAL HG13 H 1 1.053 . . . . . . . 146 VAL HG13 . 25001 1 1509 . 1 1 134 134 VAL HG21 H 1 1.041 . . . . . . . 146 VAL HG21 . 25001 1 1510 . 1 1 134 134 VAL HG22 H 1 1.041 . . . . . . . 146 VAL HG21 . 25001 1 1511 . 1 1 134 134 VAL HG23 H 1 1.041 . . . . . . . 146 VAL HG21 . 25001 1 1512 . 1 1 134 134 VAL C C 13 174.783 . . . . . . . 146 VAL C . 25001 1 1513 . 1 1 134 134 VAL CA C 13 61.241 . . . . . . . 146 VAL CA . 25001 1 1514 . 1 1 134 134 VAL CB C 13 33.854 . . . . . . . 146 VAL CB . 25001 1 1515 . 1 1 134 134 VAL CG1 C 13 21.319 . . . . . . . 146 VAL CG1 . 25001 1 1516 . 1 1 134 134 VAL CG2 C 13 21.319 . . . . . . . 146 VAL CG2 . 25001 1 1517 . 1 1 134 134 VAL N N 15 119.263 . . . . . . . 146 VAL N . 25001 1 1518 . 1 1 135 135 ALA H H 1 8.428 . . . . . . . 147 ALA HN . 25001 1 1519 . 1 1 135 135 ALA HA H 1 4.799 . . . . . . . 147 ALA HA . 25001 1 1520 . 1 1 135 135 ALA HB1 H 1 1.43 . . . . . . . 147 ALA HB3 . 25001 1 1521 . 1 1 135 135 ALA HB2 H 1 1.43 . . . . . . . 147 ALA HB3 . 25001 1 1522 . 1 1 135 135 ALA HB3 H 1 1.43 . . . . . . . 147 ALA HB3 . 25001 1 1523 . 1 1 135 135 ALA C C 13 177.230 . . . . . . . 147 ALA C . 25001 1 1524 . 1 1 135 135 ALA CA C 13 52.658 . . . . . . . 147 ALA CA . 25001 1 1525 . 1 1 135 135 ALA CB C 13 20.199 . . . . . . . 147 ALA CB . 25001 1 1526 . 1 1 135 135 ALA N N 15 128.584 . . . . . . . 147 ALA N . 25001 1 1527 . 1 1 136 136 LYS H H 1 8.984 . . . . . . . 148 LYS HN . 25001 1 1528 . 1 1 136 136 LYS HA H 1 4.73 . . . . . . . 148 LYS HA . 25001 1 1529 . 1 1 136 136 LYS HB2 H 1 1.59 . . . . . . . 148 LYS HB2 . 25001 1 1530 . 1 1 136 136 LYS HB3 H 1 1.845 . . . . . . . 148 LYS HB3 . 25001 1 1531 . 1 1 136 136 LYS HG2 H 1 1.518 . . . . . . . 148 LYS HG2 . 25001 1 1532 . 1 1 136 136 LYS HG3 H 1 1.517 . . . . . . . 148 LYS HG3 . 25001 1 1533 . 1 1 136 136 LYS HD2 H 1 1.654 . . . . . . . 148 LYS HD2 . 25001 1 1534 . 1 1 136 136 LYS HD3 H 1 1.654 . . . . . . . 148 LYS HD3 . 25001 1 1535 . 1 1 136 136 LYS HE2 H 1 3.222 . . . . . . . 148 LYS HE2 . 25001 1 1536 . 1 1 136 136 LYS HE3 H 1 3.222 . . . . . . . 148 LYS HE3 . 25001 1 1537 . 1 1 136 136 LYS C C 13 174.812 . . . . . . . 148 LYS C . 25001 1 1538 . 1 1 136 136 LYS CA C 13 55.269 . . . . . . . 148 LYS CA . 25001 1 1539 . 1 1 136 136 LYS CB C 13 36.615 . . . . . . . 148 LYS CB . 25001 1 1540 . 1 1 136 136 LYS CG C 13 25.947 . . . . . . . 148 LYS CG . 25001 1 1541 . 1 1 136 136 LYS CD C 13 29.667 . . . . . . . 148 LYS CD . 25001 1 1542 . 1 1 136 136 LYS CE C 13 42.580 . . . . . . . 148 LYS CE . 25001 1 1543 . 1 1 136 136 LYS N N 15 121.352 . . . . . . . 148 LYS N . 25001 1 1544 . 1 1 137 137 THR H H 1 8.167 . . . . . . . 149 THR HN . 25001 1 1545 . 1 1 137 137 THR HA H 1 5.161 . . . . . . . 149 THR HA . 25001 1 1546 . 1 1 137 137 THR HB H 1 3.770 . . . . . . . 149 THR HB . 25001 1 1547 . 1 1 137 137 THR HG21 H 1 1.037 . . . . . . . 149 THR HG21 . 25001 1 1548 . 1 1 137 137 THR HG22 H 1 1.037 . . . . . . . 149 THR HG21 . 25001 1 1549 . 1 1 137 137 THR HG23 H 1 1.037 . . . . . . . 149 THR HG21 . 25001 1 1550 . 1 1 137 137 THR C C 13 173.514 . . . . . . . 149 THR C . 25001 1 1551 . 1 1 137 137 THR CA C 13 60.493 . . . . . . . 149 THR CA . 25001 1 1552 . 1 1 137 137 THR CB C 13 72.058 . . . . . . . 149 THR CB . 25001 1 1553 . 1 1 137 137 THR CG2 C 13 21.864 . . . . . . . 149 THR CG2 . 25001 1 1554 . 1 1 137 137 THR N N 15 114.248 . . . . . . . 149 THR N . 25001 1 1555 . 1 1 138 138 ALA H H 1 9.020 . . . . . . . 150 ALA HN . 25001 1 1556 . 1 1 138 138 ALA HA H 1 4.84 . . . . . . . 150 ALA HA . 25001 1 1557 . 1 1 138 138 ALA HB1 H 1 1.421 . . . . . . . 150 ALA HB3 . 25001 1 1558 . 1 1 138 138 ALA HB2 H 1 1.421 . . . . . . . 150 ALA HB3 . 25001 1 1559 . 1 1 138 138 ALA HB3 H 1 1.421 . . . . . . . 150 ALA HB3 . 25001 1 1560 . 1 1 138 138 ALA C C 13 174.947 . . . . . . . 150 ALA C . 25001 1 1561 . 1 1 138 138 ALA CA C 13 51.165 . . . . . . . 150 ALA CA . 25001 1 1562 . 1 1 138 138 ALA CB C 13 23.631 . . . . . . . 150 ALA CB . 25001 1 1563 . 1 1 138 138 ALA N N 15 127.210 . . . . . . . 150 ALA N . 25001 1 1564 . 1 1 139 139 THR H H 1 8.519 . . . . . . . 151 THR HN . 25001 1 1565 . 1 1 139 139 THR HA H 1 5.374 . . . . . . . 151 THR HA . 25001 1 1566 . 1 1 139 139 THR HB H 1 3.911 . . . . . . . 151 THR HB . 25001 1 1567 . 1 1 139 139 THR HG21 H 1 1.115 . . . . . . . 151 THR HG21 . 25001 1 1568 . 1 1 139 139 THR HG22 H 1 1.115 . . . . . . . 151 THR HG21 . 25001 1 1569 . 1 1 139 139 THR HG23 H 1 1.115 . . . . . . . 151 THR HG21 . 25001 1 1570 . 1 1 139 139 THR C C 13 174.201 . . . . . . . 151 THR C . 25001 1 1571 . 1 1 139 139 THR CA C 13 61.537 . . . . . . . 151 THR CA . 25001 1 1572 . 1 1 139 139 THR CB C 13 71.834 . . . . . . . 151 THR CB . 25001 1 1573 . 1 1 139 139 THR CG2 C 13 22.227 . . . . . . . 151 THR CG2 . 25001 1 1574 . 1 1 139 139 THR N N 15 115.300 . . . . . . . 151 THR N . 25001 1 1575 . 1 1 140 140 SER H H 1 9.067 . . . . . . . 152 SER HN . 25001 1 1576 . 1 1 140 140 SER HA H 1 4.894 . . . . . . . 152 SER HA . 25001 1 1577 . 1 1 140 140 SER HB2 H 1 3.58 . . . . . . . 152 SER HB2 . 25001 1 1578 . 1 1 140 140 SER HB3 H 1 3.7 . . . . . . . 152 SER HB3 . 25001 1 1579 . 1 1 140 140 SER C C 13 173.514 . . . . . . . 152 SER C . 25001 1 1580 . 1 1 140 140 SER CA C 13 58.702 . . . . . . . 152 SER CA . 25001 1 1581 . 1 1 140 140 SER CB C 13 65.044 . . . . . . . 152 SER CB . 25001 1 1582 . 1 1 140 140 SER N N 15 122.989 . . . . . . . 152 SER N . 25001 1 1583 . 1 1 141 141 THR H H 1 8.568 . . . . . . . 153 THR HN . 25001 1 1584 . 1 1 141 141 THR HA H 1 5.114 . . . . . . . 153 THR HA . 25001 1 1585 . 1 1 141 141 THR HB H 1 3.892 . . . . . . . 153 THR HB . 25001 1 1586 . 1 1 141 141 THR HG21 H 1 1.221 . . . . . . . 153 THR HG21 . 25001 1 1587 . 1 1 141 141 THR HG22 H 1 1.221 . . . . . . . 153 THR HG21 . 25001 1 1588 . 1 1 141 141 THR HG23 H 1 1.221 . . . . . . . 153 THR HG21 . 25001 1 1589 . 1 1 141 141 THR C C 13 173.843 . . . . . . . 153 THR C . 25001 1 1590 . 1 1 141 141 THR CA C 13 62.209 . . . . . . . 153 THR CA . 25001 1 1591 . 1 1 141 141 THR CB C 13 69.969 . . . . . . . 153 THR CB . 25001 1 1592 . 1 1 141 141 THR CG2 C 13 21.501 . . . . . . . 153 THR CG2 . 25001 1 1593 . 1 1 141 141 THR N N 15 121.609 . . . . . . . 153 THR N . 25001 1 1594 . 1 1 142 142 ILE H H 1 9.181 . . . . . . . 154 ILE HN . 25001 1 1595 . 1 1 142 142 ILE HA H 1 4.94 . . . . . . . 154 ILE HA . 25001 1 1596 . 1 1 142 142 ILE HB H 1 1.811 . . . . . . . 154 ILE HB . 25001 1 1597 . 1 1 142 142 ILE HG12 H 1 1.209 . . . . . . . 154 ILE HG12 . 25001 1 1598 . 1 1 142 142 ILE HG13 H 1 1.37 . . . . . . . 154 ILE HG13 . 25001 1 1599 . 1 1 142 142 ILE HG21 H 1 0.674 . . . . . . . 154 ILE HG21 . 25001 1 1600 . 1 1 142 142 ILE HG22 H 1 0.674 . . . . . . . 154 ILE HG21 . 25001 1 1601 . 1 1 142 142 ILE HG23 H 1 0.674 . . . . . . . 154 ILE HG21 . 25001 1 1602 . 1 1 142 142 ILE HD11 H 1 0.735 . . . . . . . 154 ILE HD11 . 25001 1 1603 . 1 1 142 142 ILE HD12 H 1 0.735 . . . . . . . 154 ILE HD11 . 25001 1 1604 . 1 1 142 142 ILE HD13 H 1 0.735 . . . . . . . 154 ILE HD11 . 25001 1 1605 . 1 1 142 142 ILE C C 13 174.633 . . . . . . . 154 ILE C . 25001 1 1606 . 1 1 142 142 ILE CA C 13 57.806 . . . . . . . 154 ILE CA . 25001 1 1607 . 1 1 142 142 ILE CB C 13 39.823 . . . . . . . 154 ILE CB . 25001 1 1608 . 1 1 142 142 ILE CG1 C 13 27.852 . . . . . . . 154 ILE CG1 . 25001 1 1609 . 1 1 142 142 ILE CG2 C 13 18.507 . . . . . . . 154 ILE CG2 . 25001 1 1610 . 1 1 142 142 ILE CD1 C 13 11.793 . . . . . . . 154 ILE CD1 . 25001 1 1611 . 1 1 142 142 ILE N N 15 130.255 . . . . . . . 154 ILE N . 25001 1 1612 . 1 1 143 143 THR H H 1 8.811 . . . . . . . 155 THR HN . 25001 1 1613 . 1 1 143 143 THR HA H 1 4.78 . . . . . . . 155 THR HA . 25001 1 1614 . 1 1 143 143 THR HB H 1 4.359 . . . . . . . 155 THR HB . 25001 1 1615 . 1 1 143 143 THR HG21 H 1 1.085 . . . . . . . 155 THR HG21 . 25001 1 1616 . 1 1 143 143 THR HG22 H 1 1.085 . . . . . . . 155 THR HG21 . 25001 1 1617 . 1 1 143 143 THR HG23 H 1 1.085 . . . . . . . 155 THR HG21 . 25001 1 1618 . 1 1 143 143 THR C C 13 172.917 . . . . . . . 155 THR C . 25001 1 1619 . 1 1 143 143 THR CA C 13 62.731 . . . . . . . 155 THR CA . 25001 1 1620 . 1 1 143 143 THR CB C 13 69.223 . . . . . . . 155 THR CB . 25001 1 1621 . 1 1 143 143 THR CG2 C 13 20.775 . . . . . . . 155 THR CG2 . 25001 1 1622 . 1 1 143 143 THR N N 15 126.290 . . . . . . . 155 THR N . 25001 1 1623 . 1 1 144 144 VAL H H 1 9.358 . . . . . . . 156 VAL HN . 25001 1 1624 . 1 1 144 144 VAL HA H 1 4.969 . . . . . . . 156 VAL HA . 25001 1 1625 . 1 1 144 144 VAL HB H 1 2.448 . . . . . . . 156 VAL HB . 25001 1 1626 . 1 1 144 144 VAL HG11 H 1 0.674 . . . . . . . 156 VAL HG13 . 25001 1 1627 . 1 1 144 144 VAL HG12 H 1 0.674 . . . . . . . 156 VAL HG13 . 25001 1 1628 . 1 1 144 144 VAL HG13 H 1 0.674 . . . . . . . 156 VAL HG13 . 25001 1 1629 . 1 1 144 144 VAL HG21 H 1 0.47 . . . . . . . 156 VAL HG21 . 25001 1 1630 . 1 1 144 144 VAL HG22 H 1 0.47 . . . . . . . 156 VAL HG21 . 25001 1 1631 . 1 1 144 144 VAL HG23 H 1 0.47 . . . . . . . 156 VAL HG21 . 25001 1 1632 . 1 1 144 144 VAL C C 13 175.752 . . . . . . . 156 VAL C . 25001 1 1633 . 1 1 144 144 VAL CA C 13 60.716 . . . . . . . 156 VAL CA . 25001 1 1634 . 1 1 144 144 VAL CB C 13 31.258 . . . . . . . 156 VAL CB . 25001 1 1635 . 1 1 144 144 VAL CG1 C 13 23.043 . . . . . . . 156 VAL CG1 . 25001 1 1636 . 1 1 144 144 VAL CG2 C 13 21.75 . . . . . . . 156 VAL CG2 . 25001 1 1637 . 1 1 144 144 VAL N N 15 129.503 . . . . . . . 156 VAL N . 25001 1 1638 . 1 1 145 145 VAL H H 1 8.642 . . . . . . . 157 VAL HN . 25001 1 1639 . 1 1 145 145 VAL HA H 1 4.210 . . . . . . . 157 VAL HA . 25001 1 1640 . 1 1 145 145 VAL HB H 1 2.088 . . . . . . . 157 VAL HB . 25001 1 1641 . 1 1 145 145 VAL HG11 H 1 0.885 . . . . . . . 157 VAL HG13 . 25001 1 1642 . 1 1 145 145 VAL HG12 H 1 0.885 . . . . . . . 157 VAL HG13 . 25001 1 1643 . 1 1 145 145 VAL HG13 H 1 0.885 . . . . . . . 157 VAL HG13 . 25001 1 1644 . 1 1 145 145 VAL HG21 H 1 0.834 . . . . . . . 157 VAL HG21 . 25001 1 1645 . 1 1 145 145 VAL HG22 H 1 0.834 . . . . . . . 157 VAL HG21 . 25001 1 1646 . 1 1 145 145 VAL HG23 H 1 0.834 . . . . . . . 157 VAL HG21 . 25001 1 1647 . 1 1 145 145 VAL C C 13 179.453 . . . . . . . 157 VAL C . 25001 1 1648 . 1 1 145 145 VAL CA C 13 62.669 . . . . . . . 157 VAL CA . 25001 1 1649 . 1 1 145 145 VAL CB C 13 34.031 . . . . . . . 157 VAL CB . 25001 1 1650 . 1 1 145 145 VAL CG1 C 13 21.592 . . . . . . . 157 VAL CG1 . 25001 1 1651 . 1 1 145 145 VAL CG2 C 13 19.505 . . . . . . . 157 VAL CG2 . 25001 1 1652 . 1 1 145 145 VAL N N 15 130.701 . . . . . . . 157 VAL N . 25001 1 stop_ save_