data_34782 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34782 _Entry.Title ; The NMR structure of the MAX28 effector from Magnaporthe oryzae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-19 _Entry.Accession_date 2023-01-19 _Entry.Last_release_date 2023-01-20 _Entry.Original_release_date 2023-01-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Lahfa M. . . . 34782 2 A. Padilla A. . . . 34782 3 K. 'de Guillen' K. . . . 34782 4 T. Kroj T. . . . 34782 5 C. Roumestand C. . . . 34782 6 P. Barthe P. . . . 34782 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Magnaporthe oryzae' . 34782 'UNKNOWN FUNCTION' . 34782 effector . 34782 'plant pathogen' . 34782 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34782 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 86 34782 '1H chemical shifts' 562 34782 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 . . 2023-01-31 . original BMRB . 34782 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8C8A 'BMRB Entry Tracking System' 34782 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34782 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35657473 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N backbone and side-chain NMR assignments for three MAX effectors from Magnaporthe oryzae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 16 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD 0353 _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 305 _Citation.Page_last 309 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mounia Lahfa M. . . . 34782 1 2 Andre Padilla A. . . . 34782 1 3 Karine 'de Guillen' K. . . . 34782 1 4 Joana Pissarra J. . . . 34782 1 5 Mouna Raji M. . . . 34782 1 6 Stella Cesari S. . . . 34782 1 7 Thomas Kroj T. . . . 34782 1 8 Pierre Gladieux P. . . . 34782 1 9 Christian Roumestand C. . . . 34782 1 10 Philippe Barthe P. . . . 34782 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34782 _Assembly.ID 1 _Assembly.Name 'But2 domain-containing protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 unit_1 1 $entity_1 A A yes . . . . . . 34782 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34782 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GPHMAAPTPVPGIFDIFKKP VPTSCKLALTNGNKREVDAM LLPPSGTTILSDTSGAGVFT AKVNSKCEFTSVSPALPTGF KIEGSVDKEGKPPKSSTKPD TAAGTKPSTKPSTKTGSKTG TKTGTKAQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13135.021 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 14 GLY . 34782 1 2 15 PRO . 34782 1 3 16 HIS . 34782 1 4 17 MET . 34782 1 5 18 ALA . 34782 1 6 19 ALA . 34782 1 7 20 PRO . 34782 1 8 21 THR . 34782 1 9 22 PRO . 34782 1 10 23 VAL . 34782 1 11 24 PRO . 34782 1 12 25 GLY . 34782 1 13 26 ILE . 34782 1 14 27 PHE . 34782 1 15 28 ASP . 34782 1 16 29 ILE . 34782 1 17 30 PHE . 34782 1 18 31 LYS . 34782 1 19 32 LYS . 34782 1 20 33 PRO . 34782 1 21 34 VAL . 34782 1 22 35 PRO . 34782 1 23 36 THR . 34782 1 24 37 SER . 34782 1 25 38 CYS . 34782 1 26 39 LYS . 34782 1 27 40 LEU . 34782 1 28 41 ALA . 34782 1 29 42 LEU . 34782 1 30 43 THR . 34782 1 31 44 ASN . 34782 1 32 45 GLY . 34782 1 33 46 ASN . 34782 1 34 47 LYS . 34782 1 35 48 ARG . 34782 1 36 49 GLU . 34782 1 37 50 VAL . 34782 1 38 51 ASP . 34782 1 39 52 ALA . 34782 1 40 53 MET . 34782 1 41 54 LEU . 34782 1 42 55 LEU . 34782 1 43 56 PRO . 34782 1 44 57 PRO . 34782 1 45 58 SER . 34782 1 46 59 GLY . 34782 1 47 60 THR . 34782 1 48 61 THR . 34782 1 49 62 ILE . 34782 1 50 63 LEU . 34782 1 51 64 SER . 34782 1 52 65 ASP . 34782 1 53 66 THR . 34782 1 54 67 SER . 34782 1 55 68 GLY . 34782 1 56 69 ALA . 34782 1 57 70 GLY . 34782 1 58 71 VAL . 34782 1 59 72 PHE . 34782 1 60 73 THR . 34782 1 61 74 ALA . 34782 1 62 75 LYS . 34782 1 63 76 VAL . 34782 1 64 77 ASN . 34782 1 65 78 SER . 34782 1 66 79 LYS . 34782 1 67 80 CYS . 34782 1 68 81 GLU . 34782 1 69 82 PHE . 34782 1 70 83 THR . 34782 1 71 84 SER . 34782 1 72 85 VAL . 34782 1 73 86 SER . 34782 1 74 87 PRO . 34782 1 75 88 ALA . 34782 1 76 89 LEU . 34782 1 77 90 PRO . 34782 1 78 91 THR . 34782 1 79 92 GLY . 34782 1 80 93 PHE . 34782 1 81 94 LYS . 34782 1 82 95 ILE . 34782 1 83 96 GLU . 34782 1 84 97 GLY . 34782 1 85 98 SER . 34782 1 86 99 VAL . 34782 1 87 100 ASP . 34782 1 88 101 LYS . 34782 1 89 102 GLU . 34782 1 90 103 GLY . 34782 1 91 104 LYS . 34782 1 92 105 PRO . 34782 1 93 106 PRO . 34782 1 94 107 LYS . 34782 1 95 108 SER . 34782 1 96 109 SER . 34782 1 97 110 THR . 34782 1 98 111 LYS . 34782 1 99 112 PRO . 34782 1 100 113 ASP . 34782 1 101 114 THR . 34782 1 102 115 ALA . 34782 1 103 116 ALA . 34782 1 104 117 GLY . 34782 1 105 118 THR . 34782 1 106 119 LYS . 34782 1 107 120 PRO . 34782 1 108 121 SER . 34782 1 109 122 THR . 34782 1 110 123 LYS . 34782 1 111 124 PRO . 34782 1 112 125 SER . 34782 1 113 126 THR . 34782 1 114 127 LYS . 34782 1 115 128 THR . 34782 1 116 129 GLY . 34782 1 117 130 SER . 34782 1 118 131 LYS . 34782 1 119 132 THR . 34782 1 120 133 GLY . 34782 1 121 134 THR . 34782 1 122 135 LYS . 34782 1 123 136 THR . 34782 1 124 137 GLY . 34782 1 125 138 THR . 34782 1 126 139 LYS . 34782 1 127 140 ALA . 34782 1 128 141 GLN . 34782 1 129 142 ALA . 34782 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34782 1 . PRO 2 2 34782 1 . HIS 3 3 34782 1 . MET 4 4 34782 1 . ALA 5 5 34782 1 . ALA 6 6 34782 1 . PRO 7 7 34782 1 . THR 8 8 34782 1 . PRO 9 9 34782 1 . VAL 10 10 34782 1 . PRO 11 11 34782 1 . GLY 12 12 34782 1 . ILE 13 13 34782 1 . PHE 14 14 34782 1 . ASP 15 15 34782 1 . ILE 16 16 34782 1 . PHE 17 17 34782 1 . LYS 18 18 34782 1 . LYS 19 19 34782 1 . PRO 20 20 34782 1 . VAL 21 21 34782 1 . PRO 22 22 34782 1 . THR 23 23 34782 1 . SER 24 24 34782 1 . CYS 25 25 34782 1 . LYS 26 26 34782 1 . LEU 27 27 34782 1 . ALA 28 28 34782 1 . LEU 29 29 34782 1 . THR 30 30 34782 1 . ASN 31 31 34782 1 . GLY 32 32 34782 1 . ASN 33 33 34782 1 . LYS 34 34 34782 1 . ARG 35 35 34782 1 . GLU 36 36 34782 1 . VAL 37 37 34782 1 . ASP 38 38 34782 1 . ALA 39 39 34782 1 . MET 40 40 34782 1 . LEU 41 41 34782 1 . LEU 42 42 34782 1 . PRO 43 43 34782 1 . PRO 44 44 34782 1 . SER 45 45 34782 1 . GLY 46 46 34782 1 . THR 47 47 34782 1 . THR 48 48 34782 1 . ILE 49 49 34782 1 . LEU 50 50 34782 1 . SER 51 51 34782 1 . ASP 52 52 34782 1 . THR 53 53 34782 1 . SER 54 54 34782 1 . GLY 55 55 34782 1 . ALA 56 56 34782 1 . GLY 57 57 34782 1 . VAL 58 58 34782 1 . PHE 59 59 34782 1 . THR 60 60 34782 1 . ALA 61 61 34782 1 . LYS 62 62 34782 1 . VAL 63 63 34782 1 . ASN 64 64 34782 1 . SER 65 65 34782 1 . LYS 66 66 34782 1 . CYS 67 67 34782 1 . GLU 68 68 34782 1 . PHE 69 69 34782 1 . THR 70 70 34782 1 . SER 71 71 34782 1 . VAL 72 72 34782 1 . SER 73 73 34782 1 . PRO 74 74 34782 1 . ALA 75 75 34782 1 . LEU 76 76 34782 1 . PRO 77 77 34782 1 . THR 78 78 34782 1 . GLY 79 79 34782 1 . PHE 80 80 34782 1 . LYS 81 81 34782 1 . ILE 82 82 34782 1 . GLU 83 83 34782 1 . GLY 84 84 34782 1 . SER 85 85 34782 1 . VAL 86 86 34782 1 . ASP 87 87 34782 1 . LYS 88 88 34782 1 . GLU 89 89 34782 1 . GLY 90 90 34782 1 . LYS 91 91 34782 1 . PRO 92 92 34782 1 . PRO 93 93 34782 1 . LYS 94 94 34782 1 . SER 95 95 34782 1 . SER 96 96 34782 1 . THR 97 97 34782 1 . LYS 98 98 34782 1 . PRO 99 99 34782 1 . ASP 100 100 34782 1 . THR 101 101 34782 1 . ALA 102 102 34782 1 . ALA 103 103 34782 1 . GLY 104 104 34782 1 . THR 105 105 34782 1 . LYS 106 106 34782 1 . PRO 107 107 34782 1 . SER 108 108 34782 1 . THR 109 109 34782 1 . LYS 110 110 34782 1 . PRO 111 111 34782 1 . SER 112 112 34782 1 . THR 113 113 34782 1 . LYS 114 114 34782 1 . THR 115 115 34782 1 . GLY 116 116 34782 1 . SER 117 117 34782 1 . LYS 118 118 34782 1 . THR 119 119 34782 1 . GLY 120 120 34782 1 . THR 121 121 34782 1 . LYS 122 122 34782 1 . THR 123 123 34782 1 . GLY 124 124 34782 1 . THR 125 125 34782 1 . LYS 126 126 34782 1 . ALA 127 127 34782 1 . GLN 128 128 34782 1 . ALA 129 129 34782 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 34782 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 242507 organism . 'Pyricularia oryzae 70-15' 'Pyricularia oryzae 70-15' . . Eukaryota Fungi Pyricularia oryzae . . . . . . . . . . . MGG_08944 . 34782 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 34782 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34782 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34782 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-15N] MAX28, 10 mM sodium phosphate, 150 mM sodium chloride, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MAX28 [U-15N] . . 1 $entity_1 . . 0.4 . . mM . . . . 34782 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 34782 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34782 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34782 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-15N] MAX28, 10 mM sodium phosphate, 150 mM sodium chloride, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 MAX28 [U-15N] . . 1 $entity_1 . . 0.4 . . mM . . . . 34782 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 34782 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34782 2 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 34782 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 34782 1 pH 6.8 . pH 34782 1 pressure 1 . atm 34782 1 temperature 300 . K 34782 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34782 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34782 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34782 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34782 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34782 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34782 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34782 _Software.ID 3 _Software.Type . _Software.Name CINDY _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Padilla, A.' . . 34782 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34782 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34782 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34782 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34782 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34782 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34782 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 34782 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 700 . . . 34782 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 34782 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 34782 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34782 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34782 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34782 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34782 1 5 '2D DQF-COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34782 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34782 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 34782 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 34782 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34782 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 '3D 1H-15N NOESY' . . . 34782 1 2 '3D 1H-15N TOCSY' . . . 34782 1 3 '2D 1H-1H NOESY' . . . 34782 1 4 '2D 1H-1H TOCSY' . . . 34782 1 5 '2D DQF-COSY' . . . 34782 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 12 12 GLY H H 1 8.146 0.000 . . . . . . A 25 GLY H . 34782 1 2 . 1 . 1 12 12 GLY HA2 H 1 4.443 0.000 . . . . . . A 25 GLY HA2 . 34782 1 3 . 1 . 1 12 12 GLY HA3 H 1 3.801 0.000 . . . . . . A 25 GLY HA3 . 34782 1 4 . 1 . 1 12 12 GLY N N 15 115.600 0.000 . . . . . . A 25 GLY N . 34782 1 5 . 1 . 1 13 13 ILE H H 1 8.114 0.000 . . . . . . A 26 ILE H . 34782 1 6 . 1 . 1 13 13 ILE HA H 1 4.126 0.000 . . . . . . A 26 ILE HA . 34782 1 7 . 1 . 1 13 13 ILE HB H 1 2.026 0.000 . . . . . . A 26 ILE HB . 34782 1 8 . 1 . 1 13 13 ILE HG21 H 1 0.862 0.000 . . . . . . A 26 ILE HG21 . 34782 1 9 . 1 . 1 13 13 ILE HG22 H 1 0.862 0.000 . . . . . . A 26 ILE HG22 . 34782 1 10 . 1 . 1 13 13 ILE HG23 H 1 0.862 0.000 . . . . . . A 26 ILE HG23 . 34782 1 11 . 1 . 1 13 13 ILE N N 15 120.850 0.000 . . . . . . A 26 ILE N . 34782 1 12 . 1 . 1 14 14 PHE H H 1 8.326 0.000 . . . . . . A 27 PHE H . 34782 1 13 . 1 . 1 14 14 PHE HA H 1 4.546 0.000 . . . . . . A 27 PHE HA . 34782 1 14 . 1 . 1 14 14 PHE HB2 H 1 2.648 0.000 . . . . . . A 27 PHE HB2 . 34782 1 15 . 1 . 1 14 14 PHE HB3 H 1 2.594 0.000 . . . . . . A 27 PHE HB3 . 34782 1 16 . 1 . 1 14 14 PHE N N 15 123.640 0.000 . . . . . . A 27 PHE N . 34782 1 17 . 1 . 1 15 15 ASP HA H 1 4.521 0.000 . . . . . . A 28 ASP HA . 34782 1 18 . 1 . 1 15 15 ASP HB2 H 1 2.588 0.000 . . . . . . A 28 ASP HB2 . 34782 1 19 . 1 . 1 15 15 ASP HB3 H 1 2.518 0.000 . . . . . . A 28 ASP HB3 . 34782 1 20 . 1 . 1 16 16 ILE H H 1 7.814 0.000 . . . . . . A 29 ILE H . 34782 1 21 . 1 . 1 16 16 ILE HA H 1 3.959 0.000 . . . . . . A 29 ILE HA . 34782 1 22 . 1 . 1 16 16 ILE HB H 1 1.695 0.000 . . . . . . A 29 ILE HB . 34782 1 23 . 1 . 1 16 16 ILE HG12 H 1 0.953 0.000 . . . . . . A 29 ILE HG12 . 34782 1 24 . 1 . 1 16 16 ILE HG13 H 1 1.032 0.000 . . . . . . A 29 ILE HG13 . 34782 1 25 . 1 . 1 16 16 ILE HG21 H 1 0.647 0.000 . . . . . . A 29 ILE HG21 . 34782 1 26 . 1 . 1 16 16 ILE HG22 H 1 0.647 0.000 . . . . . . A 29 ILE HG22 . 34782 1 27 . 1 . 1 16 16 ILE HG23 H 1 0.647 0.000 . . . . . . A 29 ILE HG23 . 34782 1 28 . 1 . 1 16 16 ILE HD11 H 1 0.607 0.000 . . . . . . A 29 ILE HD11 . 34782 1 29 . 1 . 1 16 16 ILE HD12 H 1 0.607 0.000 . . . . . . A 29 ILE HD12 . 34782 1 30 . 1 . 1 16 16 ILE HD13 H 1 0.607 0.000 . . . . . . A 29 ILE HD13 . 34782 1 31 . 1 . 1 16 16 ILE N N 15 119.730 0.000 . . . . . . A 29 ILE N . 34782 1 32 . 1 . 1 17 17 PHE H H 1 8.086 0.000 . . . . . . A 30 PHE H . 34782 1 33 . 1 . 1 17 17 PHE HA H 1 4.630 0.000 . . . . . . A 30 PHE HA . 34782 1 34 . 1 . 1 17 17 PHE HB2 H 1 3.148 0.000 . . . . . . A 30 PHE HB2 . 34782 1 35 . 1 . 1 17 17 PHE HB3 H 1 2.917 0.000 . . . . . . A 30 PHE HB3 . 34782 1 36 . 1 . 1 17 17 PHE HD1 H 1 7.215 0.000 . . . . . . A 30 PHE HD1 . 34782 1 37 . 1 . 1 17 17 PHE HD2 H 1 7.215 0.000 . . . . . . A 30 PHE HD2 . 34782 1 38 . 1 . 1 17 17 PHE N N 15 122.020 0.000 . . . . . . A 30 PHE N . 34782 1 39 . 1 . 1 18 18 LYS H H 1 8.014 0.000 . . . . . . A 31 LYS H . 34782 1 40 . 1 . 1 18 18 LYS HA H 1 4.360 0.000 . . . . . . A 31 LYS HA . 34782 1 41 . 1 . 1 18 18 LYS HB2 H 1 1.982 0.000 . . . . . . A 31 LYS HB2 . 34782 1 42 . 1 . 1 18 18 LYS HB3 H 1 1.628 0.000 . . . . . . A 31 LYS HB3 . 34782 1 43 . 1 . 1 18 18 LYS N N 15 121.440 0.000 . . . . . . A 31 LYS N . 34782 1 44 . 1 . 1 19 19 LYS H H 1 8.110 0.000 . . . . . . A 32 LYS H . 34782 1 45 . 1 . 1 19 19 LYS N N 15 124.890 0.000 . . . . . . A 32 LYS N . 34782 1 46 . 1 . 1 20 20 PRO HA H 1 4.241 0.000 . . . . . . A 33 PRO HA . 34782 1 47 . 1 . 1 20 20 PRO HB2 H 1 2.218 0.000 . . . . . . A 33 PRO HB2 . 34782 1 48 . 1 . 1 20 20 PRO HB3 H 1 1.884 0.000 . . . . . . A 33 PRO HB3 . 34782 1 49 . 1 . 1 21 21 VAL H H 1 8.049 0.000 . . . . . . A 34 VAL H . 34782 1 50 . 1 . 1 21 21 VAL HA H 1 4.012 0.000 . . . . . . A 34 VAL HA . 34782 1 51 . 1 . 1 21 21 VAL HB H 1 2.026 0.000 . . . . . . A 34 VAL HB . 34782 1 52 . 1 . 1 21 21 VAL HG11 H 1 0.897 0.000 . . . . . . A 34 VAL HG11 . 34782 1 53 . 1 . 1 21 21 VAL HG12 H 1 0.897 0.000 . . . . . . A 34 VAL HG12 . 34782 1 54 . 1 . 1 21 21 VAL HG13 H 1 0.897 0.000 . . . . . . A 34 VAL HG13 . 34782 1 55 . 1 . 1 21 21 VAL HG21 H 1 0.859 0.000 . . . . . . A 34 VAL HG21 . 34782 1 56 . 1 . 1 21 21 VAL HG22 H 1 0.859 0.000 . . . . . . A 34 VAL HG22 . 34782 1 57 . 1 . 1 21 21 VAL HG23 H 1 0.859 0.000 . . . . . . A 34 VAL HG23 . 34782 1 58 . 1 . 1 21 21 VAL N N 15 119.790 0.000 . . . . . . A 34 VAL N . 34782 1 59 . 1 . 1 22 22 PRO HA H 1 4.514 0.000 . . . . . . A 35 PRO HA . 34782 1 60 . 1 . 1 22 22 PRO HB2 H 1 2.341 0.000 . . . . . . A 35 PRO HB2 . 34782 1 61 . 1 . 1 22 22 PRO HB3 H 1 1.772 0.000 . . . . . . A 35 PRO HB3 . 34782 1 62 . 1 . 1 22 22 PRO HG2 H 1 2.107 0.000 . . . . . . A 35 PRO HG2 . 34782 1 63 . 1 . 1 22 22 PRO HG3 H 1 1.961 0.000 . . . . . . A 35 PRO HG3 . 34782 1 64 . 1 . 1 22 22 PRO HD2 H 1 3.707 0.000 . . . . . . A 35 PRO HD2 . 34782 1 65 . 1 . 1 22 22 PRO HD3 H 1 3.600 0.000 . . . . . . A 35 PRO HD3 . 34782 1 66 . 1 . 1 23 23 THR H H 1 8.562 0.000 . . . . . . A 36 THR H . 34782 1 67 . 1 . 1 23 23 THR HA H 1 4.322 0.000 . . . . . . A 36 THR HA . 34782 1 68 . 1 . 1 23 23 THR HB H 1 4.013 0.000 . . . . . . A 36 THR HB . 34782 1 69 . 1 . 1 23 23 THR HG21 H 1 1.103 0.000 . . . . . . A 36 THR HG21 . 34782 1 70 . 1 . 1 23 23 THR HG22 H 1 1.103 0.000 . . . . . . A 36 THR HG22 . 34782 1 71 . 1 . 1 23 23 THR HG23 H 1 1.103 0.000 . . . . . . A 36 THR HG23 . 34782 1 72 . 1 . 1 23 23 THR N N 15 112.700 0.000 . . . . . . A 36 THR N . 34782 1 73 . 1 . 1 24 24 SER H H 1 7.901 0.000 . . . . . . A 37 SER H . 34782 1 74 . 1 . 1 24 24 SER HA H 1 4.526 0.000 . . . . . . A 37 SER HA . 34782 1 75 . 1 . 1 24 24 SER HB2 H 1 3.720 0.000 . . . . . . A 37 SER HB2 . 34782 1 76 . 1 . 1 24 24 SER HB3 H 1 3.695 0.000 . . . . . . A 37 SER HB3 . 34782 1 77 . 1 . 1 24 24 SER N N 15 115.950 0.000 . . . . . . A 37 SER N . 34782 1 78 . 1 . 1 25 25 CYS H H 1 9.183 0.000 . . . . . . A 38 CYS H . 34782 1 79 . 1 . 1 25 25 CYS HA H 1 5.490 0.000 . . . . . . A 38 CYS HA . 34782 1 80 . 1 . 1 25 25 CYS HB2 H 1 3.041 0.000 . . . . . . A 38 CYS HB2 . 34782 1 81 . 1 . 1 25 25 CYS HB3 H 1 2.637 0.000 . . . . . . A 38 CYS HB3 . 34782 1 82 . 1 . 1 25 25 CYS N N 15 124.410 0.000 . . . . . . A 38 CYS N . 34782 1 83 . 1 . 1 26 26 LYS H H 1 9.185 0.000 . . . . . . A 39 LYS H . 34782 1 84 . 1 . 1 26 26 LYS HA H 1 5.096 0.000 . . . . . . A 39 LYS HA . 34782 1 85 . 1 . 1 26 26 LYS HB2 H 1 1.700 0.000 . . . . . . A 39 LYS HB2 . 34782 1 86 . 1 . 1 26 26 LYS HB3 H 1 1.334 0.000 . . . . . . A 39 LYS HB3 . 34782 1 87 . 1 . 1 26 26 LYS HG2 H 1 1.102 0.000 . . . . . . A 39 LYS HG2 . 34782 1 88 . 1 . 1 26 26 LYS HG3 H 1 1.009 0.000 . . . . . . A 39 LYS HG3 . 34782 1 89 . 1 . 1 26 26 LYS HD2 H 1 1.507 0.000 . . . . . . A 39 LYS HD2 . 34782 1 90 . 1 . 1 26 26 LYS HD3 H 1 1.403 0.000 . . . . . . A 39 LYS HD3 . 34782 1 91 . 1 . 1 26 26 LYS HE2 H 1 2.638 0.000 . . . . . . A 39 LYS HE2 . 34782 1 92 . 1 . 1 26 26 LYS HE3 H 1 2.638 0.000 . . . . . . A 39 LYS HE3 . 34782 1 93 . 1 . 1 26 26 LYS N N 15 122.620 0.000 . . . . . . A 39 LYS N . 34782 1 94 . 1 . 1 27 27 LEU H H 1 8.717 0.000 . . . . . . A 40 LEU H . 34782 1 95 . 1 . 1 27 27 LEU HA H 1 5.045 0.000 . . . . . . A 40 LEU HA . 34782 1 96 . 1 . 1 27 27 LEU HB2 H 1 1.168 0.000 . . . . . . A 40 LEU HB2 . 34782 1 97 . 1 . 1 27 27 LEU HB3 H 1 1.311 0.000 . . . . . . A 40 LEU HB3 . 34782 1 98 . 1 . 1 27 27 LEU HG H 1 1.343 0.000 . . . . . . A 40 LEU HG . 34782 1 99 . 1 . 1 27 27 LEU HD11 H 1 0.714 0.000 . . . . . . A 40 LEU HD11 . 34782 1 100 . 1 . 1 27 27 LEU HD12 H 1 0.714 0.000 . . . . . . A 40 LEU HD12 . 34782 1 101 . 1 . 1 27 27 LEU HD13 H 1 0.714 0.000 . . . . . . A 40 LEU HD13 . 34782 1 102 . 1 . 1 27 27 LEU HD21 H 1 0.624 0.000 . . . . . . A 40 LEU HD21 . 34782 1 103 . 1 . 1 27 27 LEU HD22 H 1 0.624 0.000 . . . . . . A 40 LEU HD22 . 34782 1 104 . 1 . 1 27 27 LEU HD23 H 1 0.624 0.000 . . . . . . A 40 LEU HD23 . 34782 1 105 . 1 . 1 27 27 LEU N N 15 125.510 0.000 . . . . . . A 40 LEU N . 34782 1 106 . 1 . 1 28 28 ALA H H 1 8.226 0.000 . . . . . . A 41 ALA H . 34782 1 107 . 1 . 1 28 28 ALA HA H 1 5.032 0.000 . . . . . . A 41 ALA HA . 34782 1 108 . 1 . 1 28 28 ALA HB1 H 1 1.243 0.000 . . . . . . A 41 ALA HB1 . 34782 1 109 . 1 . 1 28 28 ALA HB2 H 1 1.243 0.000 . . . . . . A 41 ALA HB2 . 34782 1 110 . 1 . 1 28 28 ALA HB3 H 1 1.243 0.000 . . . . . . A 41 ALA HB3 . 34782 1 111 . 1 . 1 28 28 ALA N N 15 122.560 0.000 . . . . . . A 41 ALA N . 34782 1 112 . 1 . 1 29 29 LEU H H 1 8.822 0.000 . . . . . . A 42 LEU H . 34782 1 113 . 1 . 1 29 29 LEU HA H 1 4.990 0.000 . . . . . . A 42 LEU HA . 34782 1 114 . 1 . 1 29 29 LEU HB2 H 1 1.544 0.000 . . . . . . A 42 LEU HB2 . 34782 1 115 . 1 . 1 29 29 LEU HB3 H 1 1.857 0.000 . . . . . . A 42 LEU HB3 . 34782 1 116 . 1 . 1 29 29 LEU HG H 1 1.460 0.000 . . . . . . A 42 LEU HG . 34782 1 117 . 1 . 1 29 29 LEU HD11 H 1 0.707 0.000 . . . . . . A 42 LEU HD11 . 34782 1 118 . 1 . 1 29 29 LEU HD12 H 1 0.707 0.000 . . . . . . A 42 LEU HD12 . 34782 1 119 . 1 . 1 29 29 LEU HD13 H 1 0.707 0.000 . . . . . . A 42 LEU HD13 . 34782 1 120 . 1 . 1 29 29 LEU HD21 H 1 0.638 0.000 . . . . . . A 42 LEU HD21 . 34782 1 121 . 1 . 1 29 29 LEU HD22 H 1 0.638 0.000 . . . . . . A 42 LEU HD22 . 34782 1 122 . 1 . 1 29 29 LEU HD23 H 1 0.638 0.000 . . . . . . A 42 LEU HD23 . 34782 1 123 . 1 . 1 29 29 LEU N N 15 126.040 0.000 . . . . . . A 42 LEU N . 34782 1 124 . 1 . 1 30 30 THR H H 1 9.276 0.000 . . . . . . A 43 THR H . 34782 1 125 . 1 . 1 30 30 THR HA H 1 5.222 0.000 . . . . . . A 43 THR HA . 34782 1 126 . 1 . 1 30 30 THR HB H 1 3.697 0.000 . . . . . . A 43 THR HB . 34782 1 127 . 1 . 1 30 30 THR HG21 H 1 0.939 0.000 . . . . . . A 43 THR HG21 . 34782 1 128 . 1 . 1 30 30 THR HG22 H 1 0.939 0.000 . . . . . . A 43 THR HG22 . 34782 1 129 . 1 . 1 30 30 THR HG23 H 1 0.939 0.000 . . . . . . A 43 THR HG23 . 34782 1 130 . 1 . 1 30 30 THR N N 15 120.910 0.000 . . . . . . A 43 THR N . 34782 1 131 . 1 . 1 31 31 ASN H H 1 7.966 0.000 . . . . . . A 44 ASN H . 34782 1 132 . 1 . 1 31 31 ASN HA H 1 3.500 0.000 . . . . . . A 44 ASN HA . 34782 1 133 . 1 . 1 31 31 ASN HB2 H 1 2.621 0.000 . . . . . . A 44 ASN HB2 . 34782 1 134 . 1 . 1 31 31 ASN HB3 H 1 2.164 0.000 . . . . . . A 44 ASN HB3 . 34782 1 135 . 1 . 1 31 31 ASN HD21 H 1 7.635 0.000 . . . . . . A 44 ASN HD21 . 34782 1 136 . 1 . 1 31 31 ASN HD22 H 1 6.909 0.000 . . . . . . A 44 ASN HD22 . 34782 1 137 . 1 . 1 31 31 ASN N N 15 119.380 0.000 . . . . . . A 44 ASN N . 34782 1 138 . 1 . 1 31 31 ASN ND2 N 15 111.810 0.000 . . . . . . A 44 ASN ND2 . 34782 1 139 . 1 . 1 32 32 GLY HA2 H 1 3.797 0.000 . . . . . . A 45 GLY HA2 . 34782 1 140 . 1 . 1 32 32 GLY HA3 H 1 3.604 0.000 . . . . . . A 45 GLY HA3 . 34782 1 141 . 1 . 1 33 33 ASN H H 1 7.517 0.000 . . . . . . A 46 ASN H . 34782 1 142 . 1 . 1 33 33 ASN HA H 1 4.792 0.000 . . . . . . A 46 ASN HA . 34782 1 143 . 1 . 1 33 33 ASN HB2 H 1 2.891 0.000 . . . . . . A 46 ASN HB2 . 34782 1 144 . 1 . 1 33 33 ASN HB3 H 1 2.461 0.000 . . . . . . A 46 ASN HB3 . 34782 1 145 . 1 . 1 33 33 ASN HD21 H 1 7.416 0.000 . . . . . . A 46 ASN HD21 . 34782 1 146 . 1 . 1 33 33 ASN HD22 H 1 6.879 0.000 . . . . . . A 46 ASN HD22 . 34782 1 147 . 1 . 1 33 33 ASN N N 15 117.960 0.000 . . . . . . A 46 ASN N . 34782 1 148 . 1 . 1 33 33 ASN ND2 N 15 112.760 0.000 . . . . . . A 46 ASN ND2 . 34782 1 149 . 1 . 1 34 34 LYS H H 1 8.074 0.000 . . . . . . A 47 LYS H . 34782 1 150 . 1 . 1 34 34 LYS HA H 1 3.602 0.000 . . . . . . A 47 LYS HA . 34782 1 151 . 1 . 1 34 34 LYS HB2 H 1 1.992 0.000 . . . . . . A 47 LYS HB2 . 34782 1 152 . 1 . 1 34 34 LYS HB3 H 1 1.923 0.000 . . . . . . A 47 LYS HB3 . 34782 1 153 . 1 . 1 34 34 LYS HG2 H 1 1.262 0.000 . . . . . . A 47 LYS HG2 . 34782 1 154 . 1 . 1 34 34 LYS HG3 H 1 1.242 0.000 . . . . . . A 47 LYS HG3 . 34782 1 155 . 1 . 1 34 34 LYS HD2 H 1 1.585 0.000 . . . . . . A 47 LYS HD2 . 34782 1 156 . 1 . 1 34 34 LYS HD3 H 1 1.550 0.000 . . . . . . A 47 LYS HD3 . 34782 1 157 . 1 . 1 34 34 LYS HE2 H 1 2.895 0.000 . . . . . . A 47 LYS HE2 . 34782 1 158 . 1 . 1 34 34 LYS N N 15 113.420 0.000 . . . . . . A 47 LYS N . 34782 1 159 . 1 . 1 35 35 ARG H H 1 7.502 0.000 . . . . . . A 48 ARG H . 34782 1 160 . 1 . 1 35 35 ARG HA H 1 4.310 0.000 . . . . . . A 48 ARG HA . 34782 1 161 . 1 . 1 35 35 ARG HB2 H 1 1.613 0.000 . . . . . . A 48 ARG HB2 . 34782 1 162 . 1 . 1 35 35 ARG HB3 H 1 1.514 0.000 . . . . . . A 48 ARG HB3 . 34782 1 163 . 1 . 1 35 35 ARG HG2 H 1 1.338 0.000 . . . . . . A 48 ARG HG2 . 34782 1 164 . 1 . 1 35 35 ARG HG3 H 1 1.504 0.000 . . . . . . A 48 ARG HG3 . 34782 1 165 . 1 . 1 35 35 ARG HD2 H 1 3.058 0.000 . . . . . . A 48 ARG HD2 . 34782 1 166 . 1 . 1 35 35 ARG HD3 H 1 3.129 0.000 . . . . . . A 48 ARG HD3 . 34782 1 167 . 1 . 1 35 35 ARG HE H 1 7.200 0.000 . . . . . . A 48 ARG HE . 34782 1 168 . 1 . 1 35 35 ARG N N 15 119.380 0.000 . . . . . . A 48 ARG N . 34782 1 169 . 1 . 1 35 35 ARG NE N 15 84.000 0.000 . . . . . . A 48 ARG NE . 34782 1 170 . 1 . 1 36 36 GLU H H 1 8.748 0.000 . . . . . . A 49 GLU H . 34782 1 171 . 1 . 1 36 36 GLU HA H 1 4.353 0.000 . . . . . . A 49 GLU HA . 34782 1 172 . 1 . 1 36 36 GLU HB2 H 1 1.890 0.000 . . . . . . A 49 GLU HB2 . 34782 1 173 . 1 . 1 36 36 GLU HB3 H 1 1.827 0.000 . . . . . . A 49 GLU HB3 . 34782 1 174 . 1 . 1 36 36 GLU HG2 H 1 2.021 0.000 . . . . . . A 49 GLU HG2 . 34782 1 175 . 1 . 1 36 36 GLU HG3 H 1 2.001 0.000 . . . . . . A 49 GLU HG3 . 34782 1 176 . 1 . 1 36 36 GLU N N 15 126.510 0.000 . . . . . . A 49 GLU N . 34782 1 177 . 1 . 1 37 37 VAL H H 1 8.949 0.000 . . . . . . A 50 VAL H . 34782 1 178 . 1 . 1 37 37 VAL HA H 1 4.256 0.000 . . . . . . A 50 VAL HA . 34782 1 179 . 1 . 1 37 37 VAL HB H 1 2.239 0.000 . . . . . . A 50 VAL HB . 34782 1 180 . 1 . 1 37 37 VAL HG11 H 1 1.054 0.000 . . . . . . A 50 VAL HG11 . 34782 1 181 . 1 . 1 37 37 VAL HG12 H 1 1.054 0.000 . . . . . . A 50 VAL HG12 . 34782 1 182 . 1 . 1 37 37 VAL HG13 H 1 1.054 0.000 . . . . . . A 50 VAL HG13 . 34782 1 183 . 1 . 1 37 37 VAL HG21 H 1 0.963 0.000 . . . . . . A 50 VAL HG21 . 34782 1 184 . 1 . 1 37 37 VAL HG22 H 1 0.963 0.000 . . . . . . A 50 VAL HG22 . 34782 1 185 . 1 . 1 37 37 VAL HG23 H 1 0.963 0.000 . . . . . . A 50 VAL HG23 . 34782 1 186 . 1 . 1 37 37 VAL N N 15 124.700 0.000 . . . . . . A 50 VAL N . 34782 1 187 . 1 . 1 38 38 ASP H H 1 7.749 0.000 . . . . . . A 51 ASP H . 34782 1 188 . 1 . 1 38 38 ASP HA H 1 4.923 0.000 . . . . . . A 51 ASP HA . 34782 1 189 . 1 . 1 38 38 ASP HB2 H 1 3.415 0.000 . . . . . . A 51 ASP HB2 . 34782 1 190 . 1 . 1 38 38 ASP HB3 H 1 2.239 0.000 . . . . . . A 51 ASP HB3 . 34782 1 191 . 1 . 1 38 38 ASP N N 15 117.010 0.000 . . . . . . A 51 ASP N . 34782 1 192 . 1 . 1 39 39 ALA H H 1 8.266 0.000 . . . . . . A 52 ALA H . 34782 1 193 . 1 . 1 39 39 ALA HA H 1 5.154 0.000 . . . . . . A 52 ALA HA . 34782 1 194 . 1 . 1 39 39 ALA HB1 H 1 1.238 0.000 . . . . . . A 52 ALA HB1 . 34782 1 195 . 1 . 1 39 39 ALA HB2 H 1 1.238 0.000 . . . . . . A 52 ALA HB2 . 34782 1 196 . 1 . 1 39 39 ALA HB3 H 1 1.238 0.000 . . . . . . A 52 ALA HB3 . 34782 1 197 . 1 . 1 39 39 ALA N N 15 122.790 0.000 . . . . . . A 52 ALA N . 34782 1 198 . 1 . 1 40 40 MET H H 1 8.714 0.000 . . . . . . A 53 MET H . 34782 1 199 . 1 . 1 40 40 MET HA H 1 4.945 0.000 . . . . . . A 53 MET HA . 34782 1 200 . 1 . 1 40 40 MET HB2 H 1 1.671 0.000 . . . . . . A 53 MET HB2 . 34782 1 201 . 1 . 1 40 40 MET HB3 H 1 1.936 0.000 . . . . . . A 53 MET HB3 . 34782 1 202 . 1 . 1 40 40 MET HG2 H 1 3.001 0.000 . . . . . . A 53 MET HG2 . 34782 1 203 . 1 . 1 40 40 MET HG3 H 1 2.408 0.000 . . . . . . A 53 MET HG3 . 34782 1 204 . 1 . 1 40 40 MET HE1 H 1 2.240 0.000 . . . . . . A 53 MET HE1 . 34782 1 205 . 1 . 1 40 40 MET HE2 H 1 2.240 0.000 . . . . . . A 53 MET HE2 . 34782 1 206 . 1 . 1 40 40 MET HE3 H 1 2.240 0.000 . . . . . . A 53 MET HE3 . 34782 1 207 . 1 . 1 40 40 MET N N 15 119.620 0.000 . . . . . . A 53 MET N . 34782 1 208 . 1 . 1 41 41 LEU H H 1 8.068 0.000 . . . . . . A 54 LEU H . 34782 1 209 . 1 . 1 41 41 LEU HA H 1 5.459 0.000 . . . . . . A 54 LEU HA . 34782 1 210 . 1 . 1 41 41 LEU HB2 H 1 1.668 0.000 . . . . . . A 54 LEU HB2 . 34782 1 211 . 1 . 1 41 41 LEU HB3 H 1 1.334 0.000 . . . . . . A 54 LEU HB3 . 34782 1 212 . 1 . 1 41 41 LEU HG H 1 1.640 0.000 . . . . . . A 54 LEU HG . 34782 1 213 . 1 . 1 41 41 LEU HD11 H 1 0.806 0.000 . . . . . . A 54 LEU HD11 . 34782 1 214 . 1 . 1 41 41 LEU HD12 H 1 0.806 0.000 . . . . . . A 54 LEU HD12 . 34782 1 215 . 1 . 1 41 41 LEU HD13 H 1 0.806 0.000 . . . . . . A 54 LEU HD13 . 34782 1 216 . 1 . 1 41 41 LEU HD21 H 1 0.711 0.000 . . . . . . A 54 LEU HD21 . 34782 1 217 . 1 . 1 41 41 LEU HD22 H 1 0.711 0.000 . . . . . . A 54 LEU HD22 . 34782 1 218 . 1 . 1 41 41 LEU HD23 H 1 0.711 0.000 . . . . . . A 54 LEU HD23 . 34782 1 219 . 1 . 1 41 41 LEU N N 15 120.590 0.000 . . . . . . A 54 LEU N . 34782 1 220 . 1 . 1 42 42 LEU H H 1 8.985 0.000 . . . . . . A 55 LEU H . 34782 1 221 . 1 . 1 42 42 LEU HA H 1 4.824 0.000 . . . . . . A 55 LEU HA . 34782 1 222 . 1 . 1 42 42 LEU HB2 H 1 1.670 0.000 . . . . . . A 55 LEU HB2 . 34782 1 223 . 1 . 1 42 42 LEU HB3 H 1 1.336 0.000 . . . . . . A 55 LEU HB3 . 34782 1 224 . 1 . 1 42 42 LEU HG H 1 1.522 0.000 . . . . . . A 55 LEU HG . 34782 1 225 . 1 . 1 42 42 LEU HD11 H 1 0.513 0.000 . . . . . . A 55 LEU HD11 . 34782 1 226 . 1 . 1 42 42 LEU HD12 H 1 0.513 0.000 . . . . . . A 55 LEU HD12 . 34782 1 227 . 1 . 1 42 42 LEU HD13 H 1 0.513 0.000 . . . . . . A 55 LEU HD13 . 34782 1 228 . 1 . 1 42 42 LEU HD21 H 1 0.610 0.000 . . . . . . A 55 LEU HD21 . 34782 1 229 . 1 . 1 42 42 LEU HD22 H 1 0.610 0.000 . . . . . . A 55 LEU HD22 . 34782 1 230 . 1 . 1 42 42 LEU HD23 H 1 0.610 0.000 . . . . . . A 55 LEU HD23 . 34782 1 231 . 1 . 1 42 42 LEU N N 15 123.250 0.000 . . . . . . A 55 LEU N . 34782 1 232 . 1 . 1 43 43 PRO HD2 H 1 3.710 0.000 . . . . . . A 56 PRO HD2 . 34782 1 233 . 1 . 1 43 43 PRO HD3 H 1 3.549 0.000 . . . . . . A 56 PRO HD3 . 34782 1 234 . 1 . 1 44 44 PRO HA H 1 4.248 0.000 . . . . . . A 57 PRO HA . 34782 1 235 . 1 . 1 44 44 PRO HB2 H 1 1.786 0.000 . . . . . . A 57 PRO HB2 . 34782 1 236 . 1 . 1 44 44 PRO HB3 H 1 2.222 0.000 . . . . . . A 57 PRO HB3 . 34782 1 237 . 1 . 1 44 44 PRO HG2 H 1 2.008 0.000 . . . . . . A 57 PRO HG2 . 34782 1 238 . 1 . 1 44 44 PRO HG3 H 1 1.908 0.000 . . . . . . A 57 PRO HG3 . 34782 1 239 . 1 . 1 45 45 SER H H 1 7.036 0.000 . . . . . . A 58 SER H . 34782 1 240 . 1 . 1 45 45 SER HA H 1 4.293 0.000 . . . . . . A 58 SER HA . 34782 1 241 . 1 . 1 45 45 SER HB2 H 1 4.102 0.000 . . . . . . A 58 SER HB2 . 34782 1 242 . 1 . 1 45 45 SER HB3 H 1 3.999 0.000 . . . . . . A 58 SER HB3 . 34782 1 243 . 1 . 1 45 45 SER N N 15 113.440 0.000 . . . . . . A 58 SER N . 34782 1 244 . 1 . 1 46 46 GLY H H 1 7.767 0.000 . . . . . . A 59 GLY H . 34782 1 245 . 1 . 1 46 46 GLY HA2 H 1 4.262 0.000 . . . . . . A 59 GLY HA2 . 34782 1 246 . 1 . 1 46 46 GLY HA3 H 1 3.469 0.000 . . . . . . A 59 GLY HA3 . 34782 1 247 . 1 . 1 46 46 GLY N N 15 108.370 0.000 . . . . . . A 59 GLY N . 34782 1 248 . 1 . 1 47 47 THR H H 1 7.767 0.000 . . . . . . A 60 THR H . 34782 1 249 . 1 . 1 47 47 THR HA H 1 5.137 0.000 . . . . . . A 60 THR HA . 34782 1 250 . 1 . 1 47 47 THR HB H 1 3.741 0.000 . . . . . . A 60 THR HB . 34782 1 251 . 1 . 1 47 47 THR HG21 H 1 1.037 0.000 . . . . . . A 60 THR HG21 . 34782 1 252 . 1 . 1 47 47 THR HG22 H 1 1.037 0.000 . . . . . . A 60 THR HG22 . 34782 1 253 . 1 . 1 47 47 THR HG23 H 1 1.037 0.000 . . . . . . A 60 THR HG23 . 34782 1 254 . 1 . 1 47 47 THR N N 15 111.340 0.000 . . . . . . A 60 THR N . 34782 1 255 . 1 . 1 48 48 THR H H 1 9.076 0.000 . . . . . . A 61 THR H . 34782 1 256 . 1 . 1 48 48 THR HA H 1 4.671 0.000 . . . . . . A 61 THR HA . 34782 1 257 . 1 . 1 48 48 THR HB H 1 3.950 0.000 . . . . . . A 61 THR HB . 34782 1 258 . 1 . 1 48 48 THR HG21 H 1 0.868 0.000 . . . . . . A 61 THR HG21 . 34782 1 259 . 1 . 1 48 48 THR HG22 H 1 0.868 0.000 . . . . . . A 61 THR HG22 . 34782 1 260 . 1 . 1 48 48 THR HG23 H 1 0.868 0.000 . . . . . . A 61 THR HG23 . 34782 1 261 . 1 . 1 48 48 THR N N 15 120.250 0.000 . . . . . . A 61 THR N . 34782 1 262 . 1 . 1 49 49 ILE H H 1 7.713 0.000 . . . . . . A 62 ILE H . 34782 1 263 . 1 . 1 49 49 ILE HA H 1 5.238 0.000 . . . . . . A 62 ILE HA . 34782 1 264 . 1 . 1 49 49 ILE HB H 1 1.578 0.000 . . . . . . A 62 ILE HB . 34782 1 265 . 1 . 1 49 49 ILE HG12 H 1 1.456 0.000 . . . . . . A 62 ILE HG12 . 34782 1 266 . 1 . 1 49 49 ILE HG13 H 1 1.064 0.000 . . . . . . A 62 ILE HG13 . 34782 1 267 . 1 . 1 49 49 ILE HG21 H 1 0.703 0.000 . . . . . . A 62 ILE HG21 . 34782 1 268 . 1 . 1 49 49 ILE HG22 H 1 0.703 0.000 . . . . . . A 62 ILE HG22 . 34782 1 269 . 1 . 1 49 49 ILE HG23 H 1 0.703 0.000 . . . . . . A 62 ILE HG23 . 34782 1 270 . 1 . 1 49 49 ILE HD11 H 1 0.721 0.000 . . . . . . A 62 ILE HD11 . 34782 1 271 . 1 . 1 49 49 ILE HD12 H 1 0.721 0.000 . . . . . . A 62 ILE HD12 . 34782 1 272 . 1 . 1 49 49 ILE HD13 H 1 0.721 0.000 . . . . . . A 62 ILE HD13 . 34782 1 273 . 1 . 1 49 49 ILE N N 15 120.750 0.000 . . . . . . A 62 ILE N . 34782 1 274 . 1 . 1 50 50 LEU H H 1 9.154 0.000 . . . . . . A 63 LEU H . 34782 1 275 . 1 . 1 50 50 LEU HA H 1 4.887 0.000 . . . . . . A 63 LEU HA . 34782 1 276 . 1 . 1 50 50 LEU HB2 H 1 1.540 0.000 . . . . . . A 63 LEU HB2 . 34782 1 277 . 1 . 1 50 50 LEU HB3 H 1 1.347 0.000 . . . . . . A 63 LEU HB3 . 34782 1 278 . 1 . 1 50 50 LEU HG H 1 1.459 0.000 . . . . . . A 63 LEU HG . 34782 1 279 . 1 . 1 50 50 LEU HD11 H 1 0.622 0.000 . . . . . . A 63 LEU HD11 . 34782 1 280 . 1 . 1 50 50 LEU HD12 H 1 0.622 0.000 . . . . . . A 63 LEU HD12 . 34782 1 281 . 1 . 1 50 50 LEU HD13 H 1 0.622 0.000 . . . . . . A 63 LEU HD13 . 34782 1 282 . 1 . 1 50 50 LEU HD21 H 1 0.609 0.000 . . . . . . A 63 LEU HD21 . 34782 1 283 . 1 . 1 50 50 LEU HD22 H 1 0.609 0.000 . . . . . . A 63 LEU HD22 . 34782 1 284 . 1 . 1 50 50 LEU HD23 H 1 0.609 0.000 . . . . . . A 63 LEU HD23 . 34782 1 285 . 1 . 1 50 50 LEU N N 15 126.350 0.000 . . . . . . A 63 LEU N . 34782 1 286 . 1 . 1 51 51 SER H H 1 10.210 0.000 . . . . . . A 64 SER H . 34782 1 287 . 1 . 1 51 51 SER HA H 1 5.080 0.000 . . . . . . A 64 SER HA . 34782 1 288 . 1 . 1 51 51 SER HB2 H 1 3.593 0.000 . . . . . . A 64 SER HB2 . 34782 1 289 . 1 . 1 51 51 SER HB3 H 1 3.563 0.000 . . . . . . A 64 SER HB3 . 34782 1 290 . 1 . 1 51 51 SER N N 15 117.900 0.000 . . . . . . A 64 SER N . 34782 1 291 . 1 . 1 52 52 ASP H H 1 8.448 0.000 . . . . . . A 65 ASP H . 34782 1 292 . 1 . 1 52 52 ASP HA H 1 4.854 0.000 . . . . . . A 65 ASP HA . 34782 1 293 . 1 . 1 52 52 ASP HB2 H 1 2.784 0.000 . . . . . . A 65 ASP HB2 . 34782 1 294 . 1 . 1 52 52 ASP HB3 H 1 2.585 0.000 . . . . . . A 65 ASP HB3 . 34782 1 295 . 1 . 1 52 52 ASP N N 15 121.520 0.000 . . . . . . A 65 ASP N . 34782 1 296 . 1 . 1 53 53 THR H H 1 7.864 0.000 . . . . . . A 66 THR H . 34782 1 297 . 1 . 1 53 53 THR HA H 1 4.171 0.000 . . . . . . A 66 THR HA . 34782 1 298 . 1 . 1 53 53 THR HB H 1 4.381 0.000 . . . . . . A 66 THR HB . 34782 1 299 . 1 . 1 53 53 THR HG21 H 1 1.264 0.000 . . . . . . A 66 THR HG21 . 34782 1 300 . 1 . 1 53 53 THR HG22 H 1 1.264 0.000 . . . . . . A 66 THR HG22 . 34782 1 301 . 1 . 1 53 53 THR HG23 H 1 1.264 0.000 . . . . . . A 66 THR HG23 . 34782 1 302 . 1 . 1 53 53 THR N N 15 115.350 0.000 . . . . . . A 66 THR N . 34782 1 303 . 1 . 1 54 54 SER H H 1 8.366 0.000 . . . . . . A 67 SER H . 34782 1 304 . 1 . 1 54 54 SER HA H 1 4.595 0.000 . . . . . . A 67 SER HA . 34782 1 305 . 1 . 1 54 54 SER HB2 H 1 4.059 0.000 . . . . . . A 67 SER HB2 . 34782 1 306 . 1 . 1 54 54 SER HB3 H 1 3.988 0.000 . . . . . . A 67 SER HB3 . 34782 1 307 . 1 . 1 54 54 SER N N 15 117.460 0.000 . . . . . . A 67 SER N . 34782 1 308 . 1 . 1 55 55 GLY H H 1 7.666 0.000 . . . . . . A 68 GLY H . 34782 1 309 . 1 . 1 55 55 GLY HA2 H 1 4.180 0.000 . . . . . . A 68 GLY HA2 . 34782 1 310 . 1 . 1 55 55 GLY HA3 H 1 3.829 0.000 . . . . . . A 68 GLY HA3 . 34782 1 311 . 1 . 1 55 55 GLY N N 15 109.510 0.000 . . . . . . A 68 GLY N . 34782 1 312 . 1 . 1 56 56 ALA H H 1 8.966 0.000 . . . . . . A 69 ALA H . 34782 1 313 . 1 . 1 56 56 ALA HA H 1 4.192 0.000 . . . . . . A 69 ALA HA . 34782 1 314 . 1 . 1 56 56 ALA HB1 H 1 1.249 0.000 . . . . . . A 69 ALA HB1 . 34782 1 315 . 1 . 1 56 56 ALA HB2 H 1 1.249 0.000 . . . . . . A 69 ALA HB2 . 34782 1 316 . 1 . 1 56 56 ALA HB3 H 1 1.249 0.000 . . . . . . A 69 ALA HB3 . 34782 1 317 . 1 . 1 56 56 ALA N N 15 124.490 0.000 . . . . . . A 69 ALA N . 34782 1 318 . 1 . 1 57 57 GLY H H 1 8.087 0.000 . . . . . . A 70 GLY H . 34782 1 319 . 1 . 1 57 57 GLY HA2 H 1 3.853 0.000 . . . . . . A 70 GLY HA2 . 34782 1 320 . 1 . 1 57 57 GLY HA3 H 1 3.509 0.000 . . . . . . A 70 GLY HA3 . 34782 1 321 . 1 . 1 57 57 GLY N N 15 105.660 0.000 . . . . . . A 70 GLY N . 34782 1 322 . 1 . 1 58 58 VAL H H 1 7.096 0.000 . . . . . . A 71 VAL H . 34782 1 323 . 1 . 1 58 58 VAL HA H 1 4.366 0.000 . . . . . . A 71 VAL HA . 34782 1 324 . 1 . 1 58 58 VAL HB H 1 1.622 0.000 . . . . . . A 71 VAL HB . 34782 1 325 . 1 . 1 58 58 VAL HG11 H 1 0.693 0.000 . . . . . . A 71 VAL HG11 . 34782 1 326 . 1 . 1 58 58 VAL HG12 H 1 0.693 0.000 . . . . . . A 71 VAL HG12 . 34782 1 327 . 1 . 1 58 58 VAL HG13 H 1 0.693 0.000 . . . . . . A 71 VAL HG13 . 34782 1 328 . 1 . 1 58 58 VAL HG21 H 1 0.664 0.000 . . . . . . A 71 VAL HG21 . 34782 1 329 . 1 . 1 58 58 VAL HG22 H 1 0.664 0.000 . . . . . . A 71 VAL HG22 . 34782 1 330 . 1 . 1 58 58 VAL HG23 H 1 0.664 0.000 . . . . . . A 71 VAL HG23 . 34782 1 331 . 1 . 1 58 58 VAL N N 15 118.470 0.000 . . . . . . A 71 VAL N . 34782 1 332 . 1 . 1 59 59 PHE H H 1 9.239 0.000 . . . . . . A 72 PHE H . 34782 1 333 . 1 . 1 59 59 PHE HA H 1 4.865 0.000 . . . . . . A 72 PHE HA . 34782 1 334 . 1 . 1 59 59 PHE HB2 H 1 2.525 0.000 . . . . . . A 72 PHE HB2 . 34782 1 335 . 1 . 1 59 59 PHE HB3 H 1 2.821 0.000 . . . . . . A 72 PHE HB3 . 34782 1 336 . 1 . 1 59 59 PHE HD1 H 1 6.999 0.000 . . . . . . A 72 PHE HD1 . 34782 1 337 . 1 . 1 59 59 PHE HD2 H 1 6.999 0.000 . . . . . . A 72 PHE HD2 . 34782 1 338 . 1 . 1 59 59 PHE HE1 H 1 6.829 0.000 . . . . . . A 72 PHE HE1 . 34782 1 339 . 1 . 1 59 59 PHE HE2 H 1 6.829 0.000 . . . . . . A 72 PHE HE2 . 34782 1 340 . 1 . 1 59 59 PHE HZ H 1 6.704 0.000 . . . . . . A 72 PHE HZ . 34782 1 341 . 1 . 1 59 59 PHE N N 15 124.640 0.000 . . . . . . A 72 PHE N . 34782 1 342 . 1 . 1 60 60 THR H H 1 9.199 0.000 . . . . . . A 73 THR H . 34782 1 343 . 1 . 1 60 60 THR HA H 1 4.881 0.000 . . . . . . A 73 THR HA . 34782 1 344 . 1 . 1 60 60 THR HB H 1 4.083 0.000 . . . . . . A 73 THR HB . 34782 1 345 . 1 . 1 60 60 THR HG21 H 1 1.022 0.000 . . . . . . A 73 THR HG21 . 34782 1 346 . 1 . 1 60 60 THR HG22 H 1 1.022 0.000 . . . . . . A 73 THR HG22 . 34782 1 347 . 1 . 1 60 60 THR HG23 H 1 1.022 0.000 . . . . . . A 73 THR HG23 . 34782 1 348 . 1 . 1 60 60 THR N N 15 120.410 0.000 . . . . . . A 73 THR N . 34782 1 349 . 1 . 1 61 61 ALA H H 1 9.287 0.000 . . . . . . A 74 ALA H . 34782 1 350 . 1 . 1 61 61 ALA HA H 1 5.625 0.000 . . . . . . A 74 ALA HA . 34782 1 351 . 1 . 1 61 61 ALA HB1 H 1 1.345 0.000 . . . . . . A 74 ALA HB1 . 34782 1 352 . 1 . 1 61 61 ALA HB2 H 1 1.345 0.000 . . . . . . A 74 ALA HB2 . 34782 1 353 . 1 . 1 61 61 ALA HB3 H 1 1.345 0.000 . . . . . . A 74 ALA HB3 . 34782 1 354 . 1 . 1 61 61 ALA N N 15 132.620 0.000 . . . . . . A 74 ALA N . 34782 1 355 . 1 . 1 62 62 LYS H H 1 8.197 0.000 . . . . . . A 75 LYS H . 34782 1 356 . 1 . 1 62 62 LYS HA H 1 5.260 0.000 . . . . . . A 75 LYS HA . 34782 1 357 . 1 . 1 62 62 LYS HB2 H 1 1.739 0.000 . . . . . . A 75 LYS HB2 . 34782 1 358 . 1 . 1 62 62 LYS HB3 H 1 1.448 0.000 . . . . . . A 75 LYS HB3 . 34782 1 359 . 1 . 1 62 62 LYS HG2 H 1 1.386 0.000 . . . . . . A 75 LYS HG2 . 34782 1 360 . 1 . 1 62 62 LYS HG3 H 1 1.184 0.000 . . . . . . A 75 LYS HG3 . 34782 1 361 . 1 . 1 62 62 LYS HD2 H 1 1.410 0.000 . . . . . . A 75 LYS HD2 . 34782 1 362 . 1 . 1 62 62 LYS HD3 H 1 1.396 0.000 . . . . . . A 75 LYS HD3 . 34782 1 363 . 1 . 1 62 62 LYS HE2 H 1 2.790 0.000 . . . . . . A 75 LYS HE2 . 34782 1 364 . 1 . 1 62 62 LYS N N 15 119.040 0.000 . . . . . . A 75 LYS N . 34782 1 365 . 1 . 1 63 63 VAL H H 1 7.636 0.000 . . . . . . A 76 VAL H . 34782 1 366 . 1 . 1 63 63 VAL HA H 1 5.399 0.000 . . . . . . A 76 VAL HA . 34782 1 367 . 1 . 1 63 63 VAL HB H 1 1.897 0.000 . . . . . . A 76 VAL HB . 34782 1 368 . 1 . 1 63 63 VAL HG11 H 1 0.741 0.000 . . . . . . A 76 VAL HG11 . 34782 1 369 . 1 . 1 63 63 VAL HG12 H 1 0.741 0.000 . . . . . . A 76 VAL HG12 . 34782 1 370 . 1 . 1 63 63 VAL HG13 H 1 0.741 0.000 . . . . . . A 76 VAL HG13 . 34782 1 371 . 1 . 1 63 63 VAL HG21 H 1 0.882 0.000 . . . . . . A 76 VAL HG21 . 34782 1 372 . 1 . 1 63 63 VAL HG22 H 1 0.882 0.000 . . . . . . A 76 VAL HG22 . 34782 1 373 . 1 . 1 63 63 VAL HG23 H 1 0.882 0.000 . . . . . . A 76 VAL HG23 . 34782 1 374 . 1 . 1 63 63 VAL N N 15 110.500 0.000 . . . . . . A 76 VAL N . 34782 1 375 . 1 . 1 64 64 ASN H H 1 8.081 0.000 . . . . . . A 77 ASN H . 34782 1 376 . 1 . 1 64 64 ASN HA H 1 4.988 0.000 . . . . . . A 77 ASN HA . 34782 1 377 . 1 . 1 64 64 ASN HB2 H 1 2.861 0.000 . . . . . . A 77 ASN HB2 . 34782 1 378 . 1 . 1 64 64 ASN HB3 H 1 3.695 0.000 . . . . . . A 77 ASN HB3 . 34782 1 379 . 1 . 1 64 64 ASN HD21 H 1 7.613 0.000 . . . . . . A 77 ASN HD21 . 34782 1 380 . 1 . 1 64 64 ASN HD22 H 1 6.863 0.000 . . . . . . A 77 ASN HD22 . 34782 1 381 . 1 . 1 64 64 ASN N N 15 117.220 0.000 . . . . . . A 77 ASN N . 34782 1 382 . 1 . 1 64 64 ASN ND2 N 15 113.410 0.000 . . . . . . A 77 ASN ND2 . 34782 1 383 . 1 . 1 65 65 SER H H 1 7.767 0.000 . . . . . . A 78 SER H . 34782 1 384 . 1 . 1 65 65 SER N N 15 114.380 0.000 . . . . . . A 78 SER N . 34782 1 385 . 1 . 1 66 66 LYS H H 1 7.642 0.000 . . . . . . A 79 LYS H . 34782 1 386 . 1 . 1 66 66 LYS HA H 1 4.370 0.000 . . . . . . A 79 LYS HA . 34782 1 387 . 1 . 1 66 66 LYS HB2 H 1 1.990 0.000 . . . . . . A 79 LYS HB2 . 34782 1 388 . 1 . 1 66 66 LYS HB3 H 1 1.560 0.000 . . . . . . A 79 LYS HB3 . 34782 1 389 . 1 . 1 66 66 LYS HG2 H 1 1.300 0.000 . . . . . . A 79 LYS HG2 . 34782 1 390 . 1 . 1 66 66 LYS HG3 H 1 1.280 0.000 . . . . . . A 79 LYS HG3 . 34782 1 391 . 1 . 1 66 66 LYS HD2 H 1 1.570 0.000 . . . . . . A 79 LYS HD2 . 34782 1 392 . 1 . 1 66 66 LYS HD3 H 1 1.550 0.000 . . . . . . A 79 LYS HD3 . 34782 1 393 . 1 . 1 66 66 LYS HE2 H 1 2.864 0.000 . . . . . . A 79 LYS HE2 . 34782 1 394 . 1 . 1 66 66 LYS N N 15 119.410 0.000 . . . . . . A 79 LYS N . 34782 1 395 . 1 . 1 67 67 CYS H H 1 7.603 0.000 . . . . . . A 80 CYS H . 34782 1 396 . 1 . 1 67 67 CYS HA H 1 4.079 0.000 . . . . . . A 80 CYS HA . 34782 1 397 . 1 . 1 67 67 CYS HB2 H 1 3.404 0.000 . . . . . . A 80 CYS HB2 . 34782 1 398 . 1 . 1 67 67 CYS HB3 H 1 3.315 0.000 . . . . . . A 80 CYS HB3 . 34782 1 399 . 1 . 1 67 67 CYS N N 15 106.200 0.000 . . . . . . A 80 CYS N . 34782 1 400 . 1 . 1 68 68 GLU H H 1 7.760 0.000 . . . . . . A 81 GLU H . 34782 1 401 . 1 . 1 68 68 GLU HA H 1 4.270 0.000 . . . . . . A 81 GLU HA . 34782 1 402 . 1 . 1 68 68 GLU HB2 H 1 1.813 0.000 . . . . . . A 81 GLU HB2 . 34782 1 403 . 1 . 1 68 68 GLU HB3 H 1 1.923 0.000 . . . . . . A 81 GLU HB3 . 34782 1 404 . 1 . 1 68 68 GLU HG2 H 1 2.175 0.000 . . . . . . A 81 GLU HG2 . 34782 1 405 . 1 . 1 68 68 GLU HG3 H 1 2.137 0.000 . . . . . . A 81 GLU HG3 . 34782 1 406 . 1 . 1 68 68 GLU N N 15 116.810 0.000 . . . . . . A 81 GLU N . 34782 1 407 . 1 . 1 69 69 PHE H H 1 8.693 0.000 . . . . . . A 82 PHE H . 34782 1 408 . 1 . 1 69 69 PHE HA H 1 4.597 0.000 . . . . . . A 82 PHE HA . 34782 1 409 . 1 . 1 69 69 PHE HB2 H 1 2.823 0.000 . . . . . . A 82 PHE HB2 . 34782 1 410 . 1 . 1 69 69 PHE HB3 H 1 2.872 0.000 . . . . . . A 82 PHE HB3 . 34782 1 411 . 1 . 1 69 69 PHE HD1 H 1 7.099 0.000 . . . . . . A 82 PHE HD1 . 34782 1 412 . 1 . 1 69 69 PHE HD2 H 1 7.099 0.000 . . . . . . A 82 PHE HD2 . 34782 1 413 . 1 . 1 69 69 PHE HE1 H 1 7.173 0.000 . . . . . . A 82 PHE HE1 . 34782 1 414 . 1 . 1 69 69 PHE HE2 H 1 7.173 0.000 . . . . . . A 82 PHE HE2 . 34782 1 415 . 1 . 1 69 69 PHE HZ H 1 6.993 0.000 . . . . . . A 82 PHE HZ . 34782 1 416 . 1 . 1 69 69 PHE N N 15 122.950 0.000 . . . . . . A 82 PHE N . 34782 1 417 . 1 . 1 70 70 THR H H 1 8.293 0.000 . . . . . . A 83 THR H . 34782 1 418 . 1 . 1 70 70 THR HA H 1 4.125 0.000 . . . . . . A 83 THR HA . 34782 1 419 . 1 . 1 70 70 THR HB H 1 3.780 0.000 . . . . . . A 83 THR HB . 34782 1 420 . 1 . 1 70 70 THR HG21 H 1 0.978 0.000 . . . . . . A 83 THR HG21 . 34782 1 421 . 1 . 1 70 70 THR HG22 H 1 0.978 0.000 . . . . . . A 83 THR HG22 . 34782 1 422 . 1 . 1 70 70 THR HG23 H 1 0.978 0.000 . . . . . . A 83 THR HG23 . 34782 1 423 . 1 . 1 70 70 THR N N 15 119.710 0.000 . . . . . . A 83 THR N . 34782 1 424 . 1 . 1 71 71 SER H H 1 6.726 0.000 . . . . . . A 84 SER H . 34782 1 425 . 1 . 1 71 71 SER HA H 1 4.370 0.000 . . . . . . A 84 SER HA . 34782 1 426 . 1 . 1 71 71 SER HB2 H 1 3.661 0.000 . . . . . . A 84 SER HB2 . 34782 1 427 . 1 . 1 71 71 SER HB3 H 1 3.527 0.000 . . . . . . A 84 SER HB3 . 34782 1 428 . 1 . 1 71 71 SER N N 15 113.690 0.000 . . . . . . A 84 SER N . 34782 1 429 . 1 . 1 72 72 VAL H H 1 8.432 0.000 . . . . . . A 85 VAL H . 34782 1 430 . 1 . 1 72 72 VAL HA H 1 5.506 0.000 . . . . . . A 85 VAL HA . 34782 1 431 . 1 . 1 72 72 VAL HB H 1 2.258 0.000 . . . . . . A 85 VAL HB . 34782 1 432 . 1 . 1 72 72 VAL HG11 H 1 1.169 0.000 . . . . . . A 85 VAL HG11 . 34782 1 433 . 1 . 1 72 72 VAL HG12 H 1 1.169 0.000 . . . . . . A 85 VAL HG12 . 34782 1 434 . 1 . 1 72 72 VAL HG13 H 1 1.169 0.000 . . . . . . A 85 VAL HG13 . 34782 1 435 . 1 . 1 72 72 VAL HG21 H 1 1.084 0.000 . . . . . . A 85 VAL HG21 . 34782 1 436 . 1 . 1 72 72 VAL HG22 H 1 1.084 0.000 . . . . . . A 85 VAL HG22 . 34782 1 437 . 1 . 1 72 72 VAL HG23 H 1 1.084 0.000 . . . . . . A 85 VAL HG23 . 34782 1 438 . 1 . 1 72 72 VAL N N 15 120.910 0.000 . . . . . . A 85 VAL N . 34782 1 439 . 1 . 1 73 73 SER H H 1 8.443 0.000 . . . . . . A 86 SER H . 34782 1 440 . 1 . 1 73 73 SER HA H 1 4.634 0.000 . . . . . . A 86 SER HA . 34782 1 441 . 1 . 1 73 73 SER HB2 H 1 3.689 0.000 . . . . . . A 86 SER HB2 . 34782 1 442 . 1 . 1 73 73 SER HB3 H 1 3.657 0.000 . . . . . . A 86 SER HB3 . 34782 1 443 . 1 . 1 73 73 SER N N 15 121.620 0.000 . . . . . . A 86 SER N . 34782 1 444 . 1 . 1 74 74 PRO HA H 1 4.832 0.000 . . . . . . A 87 PRO HA . 34782 1 445 . 1 . 1 74 74 PRO HB2 H 1 2.384 0.000 . . . . . . A 87 PRO HB2 . 34782 1 446 . 1 . 1 74 74 PRO HB3 H 1 1.840 0.000 . . . . . . A 87 PRO HB3 . 34782 1 447 . 1 . 1 74 74 PRO HG2 H 1 1.963 0.000 . . . . . . A 87 PRO HG2 . 34782 1 448 . 1 . 1 74 74 PRO HG3 H 1 1.903 0.000 . . . . . . A 87 PRO HG3 . 34782 1 449 . 1 . 1 74 74 PRO HD2 H 1 3.828 0.000 . . . . . . A 87 PRO HD2 . 34782 1 450 . 1 . 1 74 74 PRO HD3 H 1 3.356 0.000 . . . . . . A 87 PRO HD3 . 34782 1 451 . 1 . 1 75 75 ALA H H 1 7.749 0.000 . . . . . . A 88 ALA H . 34782 1 452 . 1 . 1 75 75 ALA HA H 1 4.100 0.000 . . . . . . A 88 ALA HA . 34782 1 453 . 1 . 1 75 75 ALA HB1 H 1 1.311 0.000 . . . . . . A 88 ALA HB1 . 34782 1 454 . 1 . 1 75 75 ALA HB2 H 1 1.311 0.000 . . . . . . A 88 ALA HB2 . 34782 1 455 . 1 . 1 75 75 ALA HB3 H 1 1.311 0.000 . . . . . . A 88 ALA HB3 . 34782 1 456 . 1 . 1 75 75 ALA N N 15 115.620 0.000 . . . . . . A 88 ALA N . 34782 1 457 . 1 . 1 76 76 LEU H H 1 8.065 0.000 . . . . . . A 89 LEU H . 34782 1 458 . 1 . 1 76 76 LEU HA H 1 3.919 0.000 . . . . . . A 89 LEU HA . 34782 1 459 . 1 . 1 76 76 LEU HB2 H 1 1.454 0.000 . . . . . . A 89 LEU HB2 . 34782 1 460 . 1 . 1 76 76 LEU HB3 H 1 1.445 0.000 . . . . . . A 89 LEU HB3 . 34782 1 461 . 1 . 1 76 76 LEU HG H 1 1.481 0.000 . . . . . . A 89 LEU HG . 34782 1 462 . 1 . 1 76 76 LEU HD11 H 1 -0.190 0.000 . . . . . . A 89 LEU HD11 . 34782 1 463 . 1 . 1 76 76 LEU HD12 H 1 -0.190 0.000 . . . . . . A 89 LEU HD12 . 34782 1 464 . 1 . 1 76 76 LEU HD13 H 1 -0.190 0.000 . . . . . . A 89 LEU HD13 . 34782 1 465 . 1 . 1 76 76 LEU HD21 H 1 0.484 0.000 . . . . . . A 89 LEU HD21 . 34782 1 466 . 1 . 1 76 76 LEU HD22 H 1 0.484 0.000 . . . . . . A 89 LEU HD22 . 34782 1 467 . 1 . 1 76 76 LEU HD23 H 1 0.484 0.000 . . . . . . A 89 LEU HD23 . 34782 1 468 . 1 . 1 76 76 LEU N N 15 119.690 0.000 . . . . . . A 89 LEU N . 34782 1 469 . 1 . 1 77 77 PRO HA H 1 4.498 0.000 . . . . . . A 90 PRO HA . 34782 1 470 . 1 . 1 77 77 PRO HB2 H 1 1.658 0.000 . . . . . . A 90 PRO HB2 . 34782 1 471 . 1 . 1 77 77 PRO HB3 H 1 2.276 0.000 . . . . . . A 90 PRO HB3 . 34782 1 472 . 1 . 1 77 77 PRO HG2 H 1 1.771 0.000 . . . . . . A 90 PRO HG2 . 34782 1 473 . 1 . 1 77 77 PRO HG3 H 1 1.746 0.000 . . . . . . A 90 PRO HG3 . 34782 1 474 . 1 . 1 77 77 PRO HD2 H 1 3.715 0.000 . . . . . . A 90 PRO HD2 . 34782 1 475 . 1 . 1 77 77 PRO HD3 H 1 3.918 0.000 . . . . . . A 90 PRO HD3 . 34782 1 476 . 1 . 1 78 78 THR H H 1 8.291 0.000 . . . . . . A 91 THR H . 34782 1 477 . 1 . 1 78 78 THR HA H 1 3.943 0.000 . . . . . . A 91 THR HA . 34782 1 478 . 1 . 1 78 78 THR HB H 1 3.901 0.000 . . . . . . A 91 THR HB . 34782 1 479 . 1 . 1 78 78 THR HG21 H 1 1.210 0.000 . . . . . . A 91 THR HG21 . 34782 1 480 . 1 . 1 78 78 THR HG22 H 1 1.210 0.000 . . . . . . A 91 THR HG22 . 34782 1 481 . 1 . 1 78 78 THR HG23 H 1 1.210 0.000 . . . . . . A 91 THR HG23 . 34782 1 482 . 1 . 1 78 78 THR N N 15 117.060 0.000 . . . . . . A 91 THR N . 34782 1 483 . 1 . 1 79 79 GLY H H 1 8.829 0.000 . . . . . . A 92 GLY H . 34782 1 484 . 1 . 1 79 79 GLY HA2 H 1 4.229 0.000 . . . . . . A 92 GLY HA2 . 34782 1 485 . 1 . 1 79 79 GLY HA3 H 1 3.545 0.000 . . . . . . A 92 GLY HA3 . 34782 1 486 . 1 . 1 79 79 GLY N N 15 115.230 0.000 . . . . . . A 92 GLY N . 34782 1 487 . 1 . 1 80 80 PHE H H 1 7.673 0.000 . . . . . . A 93 PHE H . 34782 1 488 . 1 . 1 80 80 PHE HA H 1 4.919 0.000 . . . . . . A 93 PHE HA . 34782 1 489 . 1 . 1 80 80 PHE HB2 H 1 2.497 0.000 . . . . . . A 93 PHE HB2 . 34782 1 490 . 1 . 1 80 80 PHE HB3 H 1 3.076 0.000 . . . . . . A 93 PHE HB3 . 34782 1 491 . 1 . 1 80 80 PHE HD1 H 1 6.929 0.000 . . . . . . A 93 PHE HD1 . 34782 1 492 . 1 . 1 80 80 PHE HD2 H 1 6.929 0.000 . . . . . . A 93 PHE HD2 . 34782 1 493 . 1 . 1 80 80 PHE HE1 H 1 7.288 0.000 . . . . . . A 93 PHE HE1 . 34782 1 494 . 1 . 1 80 80 PHE HE2 H 1 7.288 0.000 . . . . . . A 93 PHE HE2 . 34782 1 495 . 1 . 1 80 80 PHE HZ H 1 7.390 0.000 . . . . . . A 93 PHE HZ . 34782 1 496 . 1 . 1 80 80 PHE N N 15 119.340 0.000 . . . . . . A 93 PHE N . 34782 1 497 . 1 . 1 81 81 LYS H H 1 8.571 0.000 . . . . . . A 94 LYS H . 34782 1 498 . 1 . 1 81 81 LYS HA H 1 4.343 0.000 . . . . . . A 94 LYS HA . 34782 1 499 . 1 . 1 81 81 LYS HB2 H 1 1.455 0.000 . . . . . . A 94 LYS HB2 . 34782 1 500 . 1 . 1 81 81 LYS HB3 H 1 1.516 0.000 . . . . . . A 94 LYS HB3 . 34782 1 501 . 1 . 1 81 81 LYS HG2 H 1 1.196 0.000 . . . . . . A 94 LYS HG2 . 34782 1 502 . 1 . 1 81 81 LYS HG3 H 1 1.117 0.000 . . . . . . A 94 LYS HG3 . 34782 1 503 . 1 . 1 81 81 LYS HD2 H 1 1.486 0.000 . . . . . . A 94 LYS HD2 . 34782 1 504 . 1 . 1 81 81 LYS HD3 H 1 1.499 0.000 . . . . . . A 94 LYS HD3 . 34782 1 505 . 1 . 1 81 81 LYS HE2 H 1 2.799 0.000 . . . . . . A 94 LYS HE2 . 34782 1 506 . 1 . 1 81 81 LYS N N 15 119.190 0.000 . . . . . . A 94 LYS N . 34782 1 507 . 1 . 1 82 82 ILE H H 1 7.829 0.000 . . . . . . A 95 ILE H . 34782 1 508 . 1 . 1 82 82 ILE HA H 1 4.885 0.000 . . . . . . A 95 ILE HA . 34782 1 509 . 1 . 1 82 82 ILE HB H 1 0.030 0.000 . . . . . . A 95 ILE HB . 34782 1 510 . 1 . 1 82 82 ILE HG12 H 1 1.243 0.000 . . . . . . A 95 ILE HG12 . 34782 1 511 . 1 . 1 82 82 ILE HG13 H 1 0.449 0.000 . . . . . . A 95 ILE HG13 . 34782 1 512 . 1 . 1 82 82 ILE HG21 H 1 0.109 0.000 . . . . . . A 95 ILE HG21 . 34782 1 513 . 1 . 1 82 82 ILE HG22 H 1 0.109 0.000 . . . . . . A 95 ILE HG22 . 34782 1 514 . 1 . 1 82 82 ILE HG23 H 1 0.109 0.000 . . . . . . A 95 ILE HG23 . 34782 1 515 . 1 . 1 82 82 ILE HD11 H 1 0.372 0.000 . . . . . . A 95 ILE HD11 . 34782 1 516 . 1 . 1 82 82 ILE HD12 H 1 0.372 0.000 . . . . . . A 95 ILE HD12 . 34782 1 517 . 1 . 1 82 82 ILE HD13 H 1 0.372 0.000 . . . . . . A 95 ILE HD13 . 34782 1 518 . 1 . 1 82 82 ILE N N 15 121.870 0.000 . . . . . . A 95 ILE N . 34782 1 519 . 1 . 1 83 83 GLU H H 1 8.052 0.000 . . . . . . A 96 GLU H . 34782 1 520 . 1 . 1 83 83 GLU HA H 1 4.552 0.000 . . . . . . A 96 GLU HA . 34782 1 521 . 1 . 1 83 83 GLU HB2 H 1 1.742 0.000 . . . . . . A 96 GLU HB2 . 34782 1 522 . 1 . 1 83 83 GLU HB3 H 1 1.917 0.000 . . . . . . A 96 GLU HB3 . 34782 1 523 . 1 . 1 83 83 GLU HG2 H 1 2.141 0.000 . . . . . . A 96 GLU HG2 . 34782 1 524 . 1 . 1 83 83 GLU HG3 H 1 2.086 0.000 . . . . . . A 96 GLU HG3 . 34782 1 525 . 1 . 1 83 83 GLU N N 15 123.790 0.000 . . . . . . A 96 GLU N . 34782 1 526 . 1 . 1 84 84 GLY H H 1 9.036 0.000 . . . . . . A 97 GLY H . 34782 1 527 . 1 . 1 84 84 GLY HA2 H 1 5.534 0.000 . . . . . . A 97 GLY HA2 . 34782 1 528 . 1 . 1 84 84 GLY HA3 H 1 3.900 0.000 . . . . . . A 97 GLY HA3 . 34782 1 529 . 1 . 1 84 84 GLY N N 15 115.130 0.000 . . . . . . A 97 GLY N . 34782 1 530 . 1 . 1 85 85 SER H H 1 9.111 0.000 . . . . . . A 98 SER H . 34782 1 531 . 1 . 1 85 85 SER HA H 1 4.662 0.000 . . . . . . A 98 SER HA . 34782 1 532 . 1 . 1 85 85 SER HB2 H 1 3.856 0.000 . . . . . . A 98 SER HB2 . 34782 1 533 . 1 . 1 85 85 SER HB3 H 1 3.752 0.000 . . . . . . A 98 SER HB3 . 34782 1 534 . 1 . 1 85 85 SER N N 15 115.610 0.000 . . . . . . A 98 SER N . 34782 1 535 . 1 . 1 86 86 VAL H H 1 8.672 0.000 . . . . . . A 99 VAL H . 34782 1 536 . 1 . 1 86 86 VAL HA H 1 4.356 0.000 . . . . . . A 99 VAL HA . 34782 1 537 . 1 . 1 86 86 VAL HB H 1 1.948 0.000 . . . . . . A 99 VAL HB . 34782 1 538 . 1 . 1 86 86 VAL HG11 H 1 0.917 0.000 . . . . . . A 99 VAL HG11 . 34782 1 539 . 1 . 1 86 86 VAL HG12 H 1 0.917 0.000 . . . . . . A 99 VAL HG12 . 34782 1 540 . 1 . 1 86 86 VAL HG13 H 1 0.917 0.000 . . . . . . A 99 VAL HG13 . 34782 1 541 . 1 . 1 86 86 VAL HG21 H 1 0.886 0.000 . . . . . . A 99 VAL HG21 . 34782 1 542 . 1 . 1 86 86 VAL HG22 H 1 0.886 0.000 . . . . . . A 99 VAL HG22 . 34782 1 543 . 1 . 1 86 86 VAL HG23 H 1 0.886 0.000 . . . . . . A 99 VAL HG23 . 34782 1 544 . 1 . 1 86 86 VAL N N 15 121.810 0.000 . . . . . . A 99 VAL N . 34782 1 545 . 1 . 1 87 87 ASP H H 1 8.674 0.000 . . . . . . A 100 ASP H . 34782 1 546 . 1 . 1 87 87 ASP HA H 1 4.642 0.000 . . . . . . A 100 ASP HA . 34782 1 547 . 1 . 1 87 87 ASP HB2 H 1 2.192 0.000 . . . . . . A 100 ASP HB2 . 34782 1 548 . 1 . 1 87 87 ASP HB3 H 1 2.282 0.000 . . . . . . A 100 ASP HB3 . 34782 1 549 . 1 . 1 87 87 ASP N N 15 129.040 0.000 . . . . . . A 100 ASP N . 34782 1 550 . 1 . 1 88 88 LYS H H 1 8.065 0.000 . . . . . . A 101 LYS H . 34782 1 551 . 1 . 1 88 88 LYS HA H 1 4.435 0.000 . . . . . . A 101 LYS HA . 34782 1 552 . 1 . 1 88 88 LYS HB2 H 1 1.643 0.000 . . . . . . A 101 LYS HB2 . 34782 1 553 . 1 . 1 88 88 LYS HB3 H 1 1.730 0.000 . . . . . . A 101 LYS HB3 . 34782 1 554 . 1 . 1 88 88 LYS HG2 H 1 1.397 0.000 . . . . . . A 101 LYS HG2 . 34782 1 555 . 1 . 1 88 88 LYS HG3 H 1 1.343 0.000 . . . . . . A 101 LYS HG3 . 34782 1 556 . 1 . 1 88 88 LYS HD2 H 1 1.740 0.000 . . . . . . A 101 LYS HD2 . 34782 1 557 . 1 . 1 88 88 LYS HD3 H 1 1.720 0.000 . . . . . . A 101 LYS HD3 . 34782 1 558 . 1 . 1 88 88 LYS N N 15 120.250 0.000 . . . . . . A 101 LYS N . 34782 1 559 . 1 . 1 89 89 GLU H H 1 8.331 0.000 . . . . . . A 102 GLU H . 34782 1 560 . 1 . 1 89 89 GLU HA H 1 4.505 0.000 . . . . . . A 102 GLU HA . 34782 1 561 . 1 . 1 89 89 GLU HB2 H 1 1.927 0.000 . . . . . . A 102 GLU HB2 . 34782 1 562 . 1 . 1 89 89 GLU HB3 H 1 1.864 0.000 . . . . . . A 102 GLU HB3 . 34782 1 563 . 1 . 1 89 89 GLU HG2 H 1 2.128 0.000 . . . . . . A 102 GLU HG2 . 34782 1 564 . 1 . 1 89 89 GLU HG3 H 1 2.080 0.000 . . . . . . A 102 GLU HG3 . 34782 1 565 . 1 . 1 89 89 GLU N N 15 120.620 0.000 . . . . . . A 102 GLU N . 34782 1 566 . 1 . 1 90 90 GLY H H 1 8.624 0.000 . . . . . . A 103 GLY H . 34782 1 567 . 1 . 1 90 90 GLY HA2 H 1 3.980 0.000 . . . . . . A 103 GLY HA2 . 34782 1 568 . 1 . 1 90 90 GLY HA3 H 1 3.790 0.000 . . . . . . A 103 GLY HA3 . 34782 1 569 . 1 . 1 90 90 GLY N N 15 109.410 0.000 . . . . . . A 103 GLY N . 34782 1 570 . 1 . 1 91 91 LYS H H 1 8.137 0.000 . . . . . . A 104 LYS H . 34782 1 571 . 1 . 1 91 91 LYS HA H 1 4.360 0.000 . . . . . . A 104 LYS HA . 34782 1 572 . 1 . 1 91 91 LYS HB2 H 1 1.605 0.000 . . . . . . A 104 LYS HB2 . 34782 1 573 . 1 . 1 91 91 LYS HB3 H 1 1.732 0.000 . . . . . . A 104 LYS HB3 . 34782 1 574 . 1 . 1 91 91 LYS HG2 H 1 1.410 0.000 . . . . . . A 104 LYS HG2 . 34782 1 575 . 1 . 1 91 91 LYS HG3 H 1 1.364 0.000 . . . . . . A 104 LYS HG3 . 34782 1 576 . 1 . 1 91 91 LYS HD2 H 1 1.850 0.000 . . . . . . A 104 LYS HD2 . 34782 1 577 . 1 . 1 91 91 LYS HD3 H 1 1.830 0.000 . . . . . . A 104 LYS HD3 . 34782 1 578 . 1 . 1 91 91 LYS HE2 H 1 2.927 0.000 . . . . . . A 104 LYS HE2 . 34782 1 579 . 1 . 1 91 91 LYS N N 15 121.610 0.000 . . . . . . A 104 LYS N . 34782 1 580 . 1 . 1 121 121 THR H H 1 8.031 0.000 . . . . . . A 134 THR H . 34782 1 581 . 1 . 1 121 121 THR HA H 1 4.293 0.000 . . . . . . A 134 THR HA . 34782 1 582 . 1 . 1 121 121 THR HB H 1 4.162 0.000 . . . . . . A 134 THR HB . 34782 1 583 . 1 . 1 121 121 THR HG21 H 1 1.137 0.000 . . . . . . A 134 THR HG21 . 34782 1 584 . 1 . 1 121 121 THR HG22 H 1 1.137 0.000 . . . . . . A 134 THR HG22 . 34782 1 585 . 1 . 1 121 121 THR HG23 H 1 1.137 0.000 . . . . . . A 134 THR HG23 . 34782 1 586 . 1 . 1 121 121 THR N N 15 114.040 0.000 . . . . . . A 134 THR N . 34782 1 587 . 1 . 1 122 122 LYS H H 1 8.277 0.000 . . . . . . A 135 LYS H . 34782 1 588 . 1 . 1 122 122 LYS HA H 1 4.584 0.000 . . . . . . A 135 LYS HA . 34782 1 589 . 1 . 1 122 122 LYS HB2 H 1 1.774 0.000 . . . . . . A 135 LYS HB2 . 34782 1 590 . 1 . 1 122 122 LYS HB3 H 1 1.670 0.000 . . . . . . A 135 LYS HB3 . 34782 1 591 . 1 . 1 122 122 LYS HG2 H 1 1.428 0.000 . . . . . . A 135 LYS HG2 . 34782 1 592 . 1 . 1 122 122 LYS HG3 H 1 1.406 0.000 . . . . . . A 135 LYS HG3 . 34782 1 593 . 1 . 1 122 122 LYS HD2 H 1 1.640 0.000 . . . . . . A 135 LYS HD2 . 34782 1 594 . 1 . 1 122 122 LYS HD3 H 1 1.620 0.000 . . . . . . A 135 LYS HD3 . 34782 1 595 . 1 . 1 122 122 LYS HE2 H 1 2.953 0.000 . . . . . . A 135 LYS HE2 . 34782 1 596 . 1 . 1 122 122 LYS HE3 H 1 2.953 0.000 . . . . . . A 135 LYS HE3 . 34782 1 597 . 1 . 1 122 122 LYS N N 15 125.180 0.000 . . . . . . A 135 LYS N . 34782 1 598 . 1 . 1 123 123 THR H H 1 8.022 0.000 . . . . . . A 136 THR H . 34782 1 599 . 1 . 1 123 123 THR HA H 1 4.222 0.000 . . . . . . A 136 THR HA . 34782 1 600 . 1 . 1 123 123 THR HB H 1 4.180 0.000 . . . . . . A 136 THR HB . 34782 1 601 . 1 . 1 123 123 THR HG21 H 1 1.156 0.000 . . . . . . A 136 THR HG21 . 34782 1 602 . 1 . 1 123 123 THR HG22 H 1 1.156 0.000 . . . . . . A 136 THR HG22 . 34782 1 603 . 1 . 1 123 123 THR HG23 H 1 1.156 0.000 . . . . . . A 136 THR HG23 . 34782 1 604 . 1 . 1 123 123 THR N N 15 114.500 0.000 . . . . . . A 136 THR N . 34782 1 605 . 1 . 1 124 124 GLY H H 1 8.249 0.000 . . . . . . A 137 GLY H . 34782 1 606 . 1 . 1 124 124 GLY HA2 H 1 3.949 0.000 . . . . . . A 137 GLY HA2 . 34782 1 607 . 1 . 1 124 124 GLY HA3 H 1 3.925 0.000 . . . . . . A 137 GLY HA3 . 34782 1 608 . 1 . 1 124 124 GLY N N 15 107.790 0.000 . . . . . . A 137 GLY N . 34782 1 609 . 1 . 1 125 125 THR H H 1 7.923 0.000 . . . . . . A 138 THR H . 34782 1 610 . 1 . 1 125 125 THR HA H 1 4.275 0.000 . . . . . . A 138 THR HA . 34782 1 611 . 1 . 1 125 125 THR HB H 1 4.123 0.000 . . . . . . A 138 THR HB . 34782 1 612 . 1 . 1 125 125 THR HG21 H 1 1.133 0.000 . . . . . . A 138 THR HG21 . 34782 1 613 . 1 . 1 125 125 THR HG22 H 1 1.133 0.000 . . . . . . A 138 THR HG22 . 34782 1 614 . 1 . 1 125 125 THR HG23 H 1 1.133 0.000 . . . . . . A 138 THR HG23 . 34782 1 615 . 1 . 1 125 125 THR N N 15 113.820 0.000 . . . . . . A 138 THR N . 34782 1 616 . 1 . 1 126 126 LYS H H 1 8.312 0.000 . . . . . . A 139 LYS H . 34782 1 617 . 1 . 1 126 126 LYS HA H 1 4.587 0.000 . . . . . . A 139 LYS HA . 34782 1 618 . 1 . 1 126 126 LYS HB2 H 1 1.782 0.000 . . . . . . A 139 LYS HB2 . 34782 1 619 . 1 . 1 126 126 LYS HB3 H 1 1.679 0.000 . . . . . . A 139 LYS HB3 . 34782 1 620 . 1 . 1 126 126 LYS HG2 H 1 1.437 0.000 . . . . . . A 139 LYS HG2 . 34782 1 621 . 1 . 1 126 126 LYS HG3 H 1 1.406 0.000 . . . . . . A 139 LYS HG3 . 34782 1 622 . 1 . 1 126 126 LYS HD2 H 1 1.650 0.000 . . . . . . A 139 LYS HD2 . 34782 1 623 . 1 . 1 126 126 LYS HD3 H 1 1.630 0.000 . . . . . . A 139 LYS HD3 . 34782 1 624 . 1 . 1 126 126 LYS HE2 H 1 2.946 0.000 . . . . . . A 139 LYS HE2 . 34782 1 625 . 1 . 1 126 126 LYS HE3 H 1 2.946 0.000 . . . . . . A 139 LYS HE3 . 34782 1 626 . 1 . 1 126 126 LYS N N 15 125.300 0.000 . . . . . . A 139 LYS N . 34782 1 627 . 1 . 1 127 127 ALA H H 1 8.138 0.000 . . . . . . A 140 ALA H . 34782 1 628 . 1 . 1 127 127 ALA HA H 1 4.239 0.000 . . . . . . A 140 ALA HA . 34782 1 629 . 1 . 1 127 127 ALA HB1 H 1 1.351 0.000 . . . . . . A 140 ALA HB1 . 34782 1 630 . 1 . 1 127 127 ALA HB2 H 1 1.351 0.000 . . . . . . A 140 ALA HB2 . 34782 1 631 . 1 . 1 127 127 ALA HB3 H 1 1.351 0.000 . . . . . . A 140 ALA HB3 . 34782 1 632 . 1 . 1 127 127 ALA N N 15 123.280 0.000 . . . . . . A 140 ALA N . 34782 1 633 . 1 . 1 128 128 GLN H H 1 8.228 0.000 . . . . . . A 141 GLN H . 34782 1 634 . 1 . 1 128 128 GLN HA H 1 4.249 0.000 . . . . . . A 141 GLN HA . 34782 1 635 . 1 . 1 128 128 GLN HB2 H 1 2.069 0.000 . . . . . . A 141 GLN HB2 . 34782 1 636 . 1 . 1 128 128 GLN HB3 H 1 1.922 0.000 . . . . . . A 141 GLN HB3 . 34782 1 637 . 1 . 1 128 128 GLN HG2 H 1 2.336 0.000 . . . . . . A 141 GLN HG2 . 34782 1 638 . 1 . 1 128 128 GLN HG3 H 1 2.300 0.000 . . . . . . A 141 GLN HG3 . 34782 1 639 . 1 . 1 128 128 GLN HE21 H 1 7.549 0.000 . . . . . . A 141 GLN HE21 . 34782 1 640 . 1 . 1 128 128 GLN HE22 H 1 6.786 0.000 . . . . . . A 141 GLN HE22 . 34782 1 641 . 1 . 1 128 128 GLN N N 15 120.160 0.000 . . . . . . A 141 GLN N . 34782 1 642 . 1 . 1 128 128 GLN NE2 N 15 112.730 0.000 . . . . . . A 141 GLN NE2 . 34782 1 643 . 1 . 1 129 129 ALA H H 1 7.934 0.000 . . . . . . A 142 ALA H . 34782 1 644 . 1 . 1 129 129 ALA HA H 1 4.058 0.000 . . . . . . A 142 ALA HA . 34782 1 645 . 1 . 1 129 129 ALA HB1 H 1 1.274 0.000 . . . . . . A 142 ALA HB1 . 34782 1 646 . 1 . 1 129 129 ALA HB2 H 1 1.274 0.000 . . . . . . A 142 ALA HB2 . 34782 1 647 . 1 . 1 129 129 ALA HB3 H 1 1.274 0.000 . . . . . . A 142 ALA HB3 . 34782 1 648 . 1 . 1 129 129 ALA N N 15 131.350 0.000 . . . . . . A 142 ALA N . 34782 1 stop_ save_