data_26789 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26789 _Entry.Title ; 1H, 13C and 15N resonance assignments for the response regulator CheY3 from Rhodobacter sphaeroides at pH 7.3 in the absence of Mg2+ ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-04-26 _Entry.Accession_date 2016-04-26 _Entry.Last_release_date 2016-09-02 _Entry.Original_release_date 2016-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Lorena Varela-Alvarez . . . . 26789 2 Christian Bell . . . . 26789 3 Judith Armitage . P. . . 26789 4 Christina Redfield . . . . 26789 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26789 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 421 26789 '15N chemical shifts' 106 26789 '1H chemical shifts' 672 26789 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-10-26 2016-04-26 update BMRB 'update entry citation' 26789 1 . . 2016-09-02 2016-04-26 original author 'original release' 26789 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26769 'CheY3 at pH 7.4' 26789 BMRB 26776 'CheY3 at pH 7.25 with BeF3-' 26789 BMRB 26777 'CheY3 at pH 4.5 with BeF3-' 26789 BMRB 26778 'CheY3 at pH 4.5' 26789 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26789 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27468962 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments for the response regulator CheY3 from Rhodobacter sphaeroides ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _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 373 _Citation.Page_last 378 _Citation.Year 2016 _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 Lorena Varela-Alvarez . . . . 26789 1 2 Christian Bell . . . . 26789 1 3 Judith Armitage . P. . . 26789 1 4 Christina Redfield . . . . 26789 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CheY3 26789 1 'NMR resonance assignments' 26789 1 'Rhodobacter sphaeroides' 26789 1 chemotaxis 26789 1 'response regulator' 26789 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26789 _Assembly.ID 1 _Assembly.Name CheY3_ph7.3_nomg _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CheY3_ph7.3_nomg 1 $CheY3_ph7-3_nomg A . yes native no no . . . 26789 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CheY3_ph7-3_nomg _Entity.Sf_category entity _Entity.Sf_framecode CheY3_ph7-3_nomg _Entity.Entry_ID 26789 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CheY3_ph7.3_nomg _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSRTVLAVDDSPSVRSMVAM TLREAGYRVIEATDGREGLE KALSEPVDAIITDQNMPNLD GLGFIRAFREHPESKGKPII FLSTDSADTLKQQAREAGAM GWMVKPFTQPQLLAVIKKVL G ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 26789 1 2 2 SER . 26789 1 3 3 ARG . 26789 1 4 4 THR . 26789 1 5 5 VAL . 26789 1 6 6 LEU . 26789 1 7 7 ALA . 26789 1 8 8 VAL . 26789 1 9 9 ASP . 26789 1 10 10 ASP . 26789 1 11 11 SER . 26789 1 12 12 PRO . 26789 1 13 13 SER . 26789 1 14 14 VAL . 26789 1 15 15 ARG . 26789 1 16 16 SER . 26789 1 17 17 MET . 26789 1 18 18 VAL . 26789 1 19 19 ALA . 26789 1 20 20 MET . 26789 1 21 21 THR . 26789 1 22 22 LEU . 26789 1 23 23 ARG . 26789 1 24 24 GLU . 26789 1 25 25 ALA . 26789 1 26 26 GLY . 26789 1 27 27 TYR . 26789 1 28 28 ARG . 26789 1 29 29 VAL . 26789 1 30 30 ILE . 26789 1 31 31 GLU . 26789 1 32 32 ALA . 26789 1 33 33 THR . 26789 1 34 34 ASP . 26789 1 35 35 GLY . 26789 1 36 36 ARG . 26789 1 37 37 GLU . 26789 1 38 38 GLY . 26789 1 39 39 LEU . 26789 1 40 40 GLU . 26789 1 41 41 LYS . 26789 1 42 42 ALA . 26789 1 43 43 LEU . 26789 1 44 44 SER . 26789 1 45 45 GLU . 26789 1 46 46 PRO . 26789 1 47 47 VAL . 26789 1 48 48 ASP . 26789 1 49 49 ALA . 26789 1 50 50 ILE . 26789 1 51 51 ILE . 26789 1 52 52 THR . 26789 1 53 53 ASP . 26789 1 54 54 GLN . 26789 1 55 55 ASN . 26789 1 56 56 MET . 26789 1 57 57 PRO . 26789 1 58 58 ASN . 26789 1 59 59 LEU . 26789 1 60 60 ASP . 26789 1 61 61 GLY . 26789 1 62 62 LEU . 26789 1 63 63 GLY . 26789 1 64 64 PHE . 26789 1 65 65 ILE . 26789 1 66 66 ARG . 26789 1 67 67 ALA . 26789 1 68 68 PHE . 26789 1 69 69 ARG . 26789 1 70 70 GLU . 26789 1 71 71 HIS . 26789 1 72 72 PRO . 26789 1 73 73 GLU . 26789 1 74 74 SER . 26789 1 75 75 LYS . 26789 1 76 76 GLY . 26789 1 77 77 LYS . 26789 1 78 78 PRO . 26789 1 79 79 ILE . 26789 1 80 80 ILE . 26789 1 81 81 PHE . 26789 1 82 82 LEU . 26789 1 83 83 SER . 26789 1 84 84 THR . 26789 1 85 85 ASP . 26789 1 86 86 SER . 26789 1 87 87 ALA . 26789 1 88 88 ASP . 26789 1 89 89 THR . 26789 1 90 90 LEU . 26789 1 91 91 LYS . 26789 1 92 92 GLN . 26789 1 93 93 GLN . 26789 1 94 94 ALA . 26789 1 95 95 ARG . 26789 1 96 96 GLU . 26789 1 97 97 ALA . 26789 1 98 98 GLY . 26789 1 99 99 ALA . 26789 1 100 100 MET . 26789 1 101 101 GLY . 26789 1 102 102 TRP . 26789 1 103 103 MET . 26789 1 104 104 VAL . 26789 1 105 105 LYS . 26789 1 106 106 PRO . 26789 1 107 107 PHE . 26789 1 108 108 THR . 26789 1 109 109 GLN . 26789 1 110 110 PRO . 26789 1 111 111 GLN . 26789 1 112 112 LEU . 26789 1 113 113 LEU . 26789 1 114 114 ALA . 26789 1 115 115 VAL . 26789 1 116 116 ILE . 26789 1 117 117 LYS . 26789 1 118 118 LYS . 26789 1 119 119 VAL . 26789 1 120 120 LEU . 26789 1 121 121 GLY . 26789 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 26789 1 . SER 2 2 26789 1 . ARG 3 3 26789 1 . THR 4 4 26789 1 . VAL 5 5 26789 1 . LEU 6 6 26789 1 . ALA 7 7 26789 1 . VAL 8 8 26789 1 . ASP 9 9 26789 1 . ASP 10 10 26789 1 . SER 11 11 26789 1 . PRO 12 12 26789 1 . SER 13 13 26789 1 . VAL 14 14 26789 1 . ARG 15 15 26789 1 . SER 16 16 26789 1 . MET 17 17 26789 1 . VAL 18 18 26789 1 . ALA 19 19 26789 1 . MET 20 20 26789 1 . THR 21 21 26789 1 . LEU 22 22 26789 1 . ARG 23 23 26789 1 . GLU 24 24 26789 1 . ALA 25 25 26789 1 . GLY 26 26 26789 1 . TYR 27 27 26789 1 . ARG 28 28 26789 1 . VAL 29 29 26789 1 . ILE 30 30 26789 1 . GLU 31 31 26789 1 . ALA 32 32 26789 1 . THR 33 33 26789 1 . ASP 34 34 26789 1 . GLY 35 35 26789 1 . ARG 36 36 26789 1 . GLU 37 37 26789 1 . GLY 38 38 26789 1 . LEU 39 39 26789 1 . GLU 40 40 26789 1 . LYS 41 41 26789 1 . ALA 42 42 26789 1 . LEU 43 43 26789 1 . SER 44 44 26789 1 . GLU 45 45 26789 1 . PRO 46 46 26789 1 . VAL 47 47 26789 1 . ASP 48 48 26789 1 . ALA 49 49 26789 1 . ILE 50 50 26789 1 . ILE 51 51 26789 1 . THR 52 52 26789 1 . ASP 53 53 26789 1 . GLN 54 54 26789 1 . ASN 55 55 26789 1 . MET 56 56 26789 1 . PRO 57 57 26789 1 . ASN 58 58 26789 1 . LEU 59 59 26789 1 . ASP 60 60 26789 1 . GLY 61 61 26789 1 . LEU 62 62 26789 1 . GLY 63 63 26789 1 . PHE 64 64 26789 1 . ILE 65 65 26789 1 . ARG 66 66 26789 1 . ALA 67 67 26789 1 . PHE 68 68 26789 1 . ARG 69 69 26789 1 . GLU 70 70 26789 1 . HIS 71 71 26789 1 . PRO 72 72 26789 1 . GLU 73 73 26789 1 . SER 74 74 26789 1 . LYS 75 75 26789 1 . GLY 76 76 26789 1 . LYS 77 77 26789 1 . PRO 78 78 26789 1 . ILE 79 79 26789 1 . ILE 80 80 26789 1 . PHE 81 81 26789 1 . LEU 82 82 26789 1 . SER 83 83 26789 1 . THR 84 84 26789 1 . ASP 85 85 26789 1 . SER 86 86 26789 1 . ALA 87 87 26789 1 . ASP 88 88 26789 1 . THR 89 89 26789 1 . LEU 90 90 26789 1 . LYS 91 91 26789 1 . GLN 92 92 26789 1 . GLN 93 93 26789 1 . ALA 94 94 26789 1 . ARG 95 95 26789 1 . GLU 96 96 26789 1 . ALA 97 97 26789 1 . GLY 98 98 26789 1 . ALA 99 99 26789 1 . MET 100 100 26789 1 . GLY 101 101 26789 1 . TRP 102 102 26789 1 . MET 103 103 26789 1 . VAL 104 104 26789 1 . LYS 105 105 26789 1 . PRO 106 106 26789 1 . PHE 107 107 26789 1 . THR 108 108 26789 1 . GLN 109 109 26789 1 . PRO 110 110 26789 1 . GLN 111 111 26789 1 . LEU 112 112 26789 1 . LEU 113 113 26789 1 . ALA 114 114 26789 1 . VAL 115 115 26789 1 . ILE 116 116 26789 1 . LYS 117 117 26789 1 . LYS 118 118 26789 1 . VAL 119 119 26789 1 . LEU 120 120 26789 1 . GLY 121 121 26789 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 26789 _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 $CheY3_ph7-3_nomg . 1063 organism . 'Rhodobacter sphaeroides' a-proteobacteria . . Bacteria . Rhodobacter sphaeroides . . . . . . . . . . . . . 26789 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 26789 _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 $CheY3_ph7-3_nomg . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pQE-80 . . . 26789 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26789 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CheY3_ph7.3_nomg '[U-99% 13C; U-99% 15N]' . . 1 $CheY3_ph7-3_nomg . . 0.7 . . mM . . . . 26789 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 26789 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26789 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26789 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 26789 _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 pH 7.3 . pH 26789 1 pressure 1 . atm 26789 1 temperature 293 . K 26789 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26789 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26789 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26789 1 stop_ save_ save_CcpN_Analysis _Software.Sf_category software _Software.Sf_framecode CcpN_Analysis _Software.Entry_ID 26789 _Software.ID 2 _Software.Name CcpN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26789 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26789 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26789 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26789 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 26789 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 'with cryoprobe' . . 26789 1 2 spectrometer_2 Bruker Avance . 750 'with cryoprobe' . . 26789 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 26789 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26789 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26789 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26789 1 4 '3D HCA(CO)N' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26789 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26789 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26789 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26789 1 8 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26789 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26789 1 10 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26789 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26789 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 26789 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.251449530 . . . . . 26789 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.00 . . . . . 26789 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.101329118 . . . . . 26789 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 26789 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 26789 1 2 '2D 1H-13C HSQC' . . . 26789 1 3 '3D HCCH-TOCSY' . . . 26789 1 4 '3D HCA(CO)N' . . . 26789 1 6 '3D HNCA' . . . 26789 1 7 '3D CBCA(CO)NH' . . . 26789 1 8 '3D CBCANH' . . . 26789 1 9 '3D HNCO' . . . 26789 1 10 '3D HN(CA)CO' . . . 26789 1 11 '3D HBHA(CO)NH' . . . 26789 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CcpN_Analysis . . 26789 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 2 2 SER HA H 1 4.534 0.020 . 1 . . . . 2 Ser HA . 26789 1 2 . 1 1 2 2 SER HB2 H 1 3.859 0.020 . 2 . . . . 2 Ser HB2 . 26789 1 3 . 1 1 2 2 SER HB3 H 1 3.838 0.020 . 2 . . . . 2 Ser HB3 . 26789 1 4 . 1 1 2 2 SER C C 13 174.411 0.200 . 1 . . . . 2 Ser C . 26789 1 5 . 1 1 2 2 SER CA C 13 58.342 0.200 . 1 . . . . 2 Ser CA . 26789 1 6 . 1 1 2 2 SER CB C 13 64.387 0.200 . 1 . . . . 2 Ser CB . 26789 1 7 . 1 1 3 3 ARG H H 1 8.651 0.020 . 1 . . . . 3 Arg H . 26789 1 8 . 1 1 3 3 ARG HA H 1 4.620 0.020 . 1 . . . . 3 Arg HA . 26789 1 9 . 1 1 3 3 ARG HB2 H 1 1.707 0.020 . 2 . . . . 3 Arg HB2 . 26789 1 10 . 1 1 3 3 ARG HB3 H 1 1.872 0.020 . 2 . . . . 3 Arg HB3 . 26789 1 11 . 1 1 3 3 ARG HD2 H 1 3.079 0.020 . 1 . . . . 3 Arg HD2 . 26789 1 12 . 1 1 3 3 ARG C C 13 175.481 0.200 . 1 . . . . 3 Arg C . 26789 1 13 . 1 1 3 3 ARG CA C 13 55.718 0.200 . 1 . . . . 3 Arg CA . 26789 1 14 . 1 1 3 3 ARG CB C 13 32.338 0.200 . 1 . . . . 3 Arg CB . 26789 1 15 . 1 1 3 3 ARG N N 15 123.771 0.200 . 1 . . . . 3 Arg N . 26789 1 16 . 1 1 4 4 THR H H 1 9.908 0.020 . 1 . . . . 4 Thr H . 26789 1 17 . 1 1 4 4 THR HA H 1 5.258 0.020 . 1 . . . . 4 Thr HA . 26789 1 18 . 1 1 4 4 THR HB H 1 4.085 0.020 . 1 . . . . 4 Thr HB . 26789 1 19 . 1 1 4 4 THR HG21 H 1 1.031 0.020 . 1 . . . . 4 Thr HG21 . 26789 1 20 . 1 1 4 4 THR HG22 H 1 1.031 0.020 . 1 . . . . 4 Thr HG22 . 26789 1 21 . 1 1 4 4 THR HG23 H 1 1.031 0.020 . 1 . . . . 4 Thr HG23 . 26789 1 22 . 1 1 4 4 THR C C 13 174.127 0.200 . 1 . . . . 4 Thr C . 26789 1 23 . 1 1 4 4 THR CA C 13 62.155 0.200 . 1 . . . . 4 Thr CA . 26789 1 24 . 1 1 4 4 THR CB C 13 70.543 0.200 . 1 . . . . 4 Thr CB . 26789 1 25 . 1 1 4 4 THR CG2 C 13 21.834 0.200 . 1 . . . . 4 Thr CG2 . 26789 1 26 . 1 1 4 4 THR N N 15 119.682 0.200 . 1 . . . . 4 Thr N . 26789 1 27 . 1 1 5 5 VAL H H 1 9.413 0.020 . 1 . . . . 5 Val H . 26789 1 28 . 1 1 5 5 VAL HA H 1 4.615 0.020 . 1 . . . . 5 Val HA . 26789 1 29 . 1 1 5 5 VAL HB H 1 1.684 0.020 . 1 . . . . 5 Val HB . 26789 1 30 . 1 1 5 5 VAL HG11 H 1 0.499 0.020 . 2 . . . . 5 Val HG11 . 26789 1 31 . 1 1 5 5 VAL HG12 H 1 0.499 0.020 . 2 . . . . 5 Val HG12 . 26789 1 32 . 1 1 5 5 VAL HG13 H 1 0.499 0.020 . 2 . . . . 5 Val HG13 . 26789 1 33 . 1 1 5 5 VAL HG21 H 1 0.495 0.020 . 2 . . . . 5 Val HG21 . 26789 1 34 . 1 1 5 5 VAL HG22 H 1 0.495 0.020 . 2 . . . . 5 Val HG22 . 26789 1 35 . 1 1 5 5 VAL HG23 H 1 0.495 0.020 . 2 . . . . 5 Val HG23 . 26789 1 36 . 1 1 5 5 VAL C C 13 173.352 0.200 . 1 . . . . 5 Val C . 26789 1 37 . 1 1 5 5 VAL CA C 13 60.071 0.200 . 1 . . . . 5 Val CA . 26789 1 38 . 1 1 5 5 VAL CB C 13 34.890 0.200 . 1 . . . . 5 Val CB . 26789 1 39 . 1 1 5 5 VAL CG1 C 13 21.158 0.200 . 2 . . . . 5 Val CG1 . 26789 1 40 . 1 1 5 5 VAL CG2 C 13 20.558 0.200 . 2 . . . . 5 Val CG2 . 26789 1 41 . 1 1 5 5 VAL N N 15 128.939 0.200 . 1 . . . . 5 Val N . 26789 1 42 . 1 1 6 6 LEU H H 1 8.212 0.020 . 1 . . . . 6 Leu H . 26789 1 43 . 1 1 6 6 LEU HA H 1 5.054 0.020 . 1 . . . . 6 Leu HA . 26789 1 44 . 1 1 6 6 LEU HB2 H 1 1.137 0.020 . 2 . . . . 6 Leu HB2 . 26789 1 45 . 1 1 6 6 LEU HB3 H 1 1.765 0.020 . 2 . . . . 6 Leu HB3 . 26789 1 46 . 1 1 6 6 LEU HG H 1 1.312 0.020 . 1 . . . . 6 Leu HG . 26789 1 47 . 1 1 6 6 LEU HD11 H 1 0.747 0.020 . 2 . . . . 6 Leu HD11 . 26789 1 48 . 1 1 6 6 LEU HD12 H 1 0.747 0.020 . 2 . . . . 6 Leu HD12 . 26789 1 49 . 1 1 6 6 LEU HD13 H 1 0.747 0.020 . 2 . . . . 6 Leu HD13 . 26789 1 50 . 1 1 6 6 LEU HD21 H 1 0.586 0.020 . 2 . . . . 6 Leu HD21 . 26789 1 51 . 1 1 6 6 LEU HD22 H 1 0.586 0.020 . 2 . . . . 6 Leu HD22 . 26789 1 52 . 1 1 6 6 LEU HD23 H 1 0.586 0.020 . 2 . . . . 6 Leu HD23 . 26789 1 53 . 1 1 6 6 LEU C C 13 172.878 0.200 . 1 . . . . 6 Leu C . 26789 1 54 . 1 1 6 6 LEU CA C 13 52.857 0.200 . 1 . . . . 6 Leu CA . 26789 1 55 . 1 1 6 6 LEU CB C 13 44.764 0.200 . 1 . . . . 6 Leu CB . 26789 1 56 . 1 1 6 6 LEU CD1 C 13 27.428 0.200 . 2 . . . . 6 Leu CD1 . 26789 1 57 . 1 1 6 6 LEU CD2 C 13 23.457 0.200 . 2 . . . . 6 Leu CD2 . 26789 1 58 . 1 1 6 6 LEU N N 15 128.953 0.200 . 1 . . . . 6 Leu N . 26789 1 59 . 1 1 7 7 ALA H H 1 9.124 0.020 . 1 . . . . 7 Ala H . 26789 1 60 . 1 1 7 7 ALA HA H 1 5.091 0.020 . 1 . . . . 7 Ala HA . 26789 1 61 . 1 1 7 7 ALA HB1 H 1 1.034 0.020 . 1 . . . . 7 Ala HB1 . 26789 1 62 . 1 1 7 7 ALA HB2 H 1 1.034 0.020 . 1 . . . . 7 Ala HB2 . 26789 1 63 . 1 1 7 7 ALA HB3 H 1 1.034 0.020 . 1 . . . . 7 Ala HB3 . 26789 1 64 . 1 1 7 7 ALA C C 13 174.393 0.200 . 1 . . . . 7 Ala C . 26789 1 65 . 1 1 7 7 ALA CA C 13 50.216 0.200 . 1 . . . . 7 Ala CA . 26789 1 66 . 1 1 7 7 ALA CB C 13 20.211 0.200 . 1 . . . . 7 Ala CB . 26789 1 67 . 1 1 7 7 ALA N N 15 131.604 0.200 . 1 . . . . 7 Ala N . 26789 1 68 . 1 1 8 8 VAL H H 1 8.866 0.020 . 1 . . . . 8 Val H . 26789 1 69 . 1 1 8 8 VAL HA H 1 4.526 0.020 . 1 . . . . 8 Val HA . 26789 1 70 . 1 1 8 8 VAL HB H 1 2.295 0.020 . 1 . . . . 8 Val HB . 26789 1 71 . 1 1 8 8 VAL HG11 H 1 0.579 0.020 . 2 . . . . 8 Val HG11 . 26789 1 72 . 1 1 8 8 VAL HG12 H 1 0.579 0.020 . 2 . . . . 8 Val HG12 . 26789 1 73 . 1 1 8 8 VAL HG13 H 1 0.579 0.020 . 2 . . . . 8 Val HG13 . 26789 1 74 . 1 1 8 8 VAL HG21 H 1 0.413 0.020 . 2 . . . . 8 Val HG21 . 26789 1 75 . 1 1 8 8 VAL HG22 H 1 0.413 0.020 . 2 . . . . 8 Val HG22 . 26789 1 76 . 1 1 8 8 VAL HG23 H 1 0.413 0.020 . 2 . . . . 8 Val HG23 . 26789 1 77 . 1 1 8 8 VAL C C 13 173.957 0.200 . 1 . . . . 8 Val C . 26789 1 78 . 1 1 8 8 VAL CA C 13 60.432 0.200 . 1 . . . . 8 Val CA . 26789 1 79 . 1 1 8 8 VAL CB C 13 31.934 0.200 . 1 . . . . 8 Val CB . 26789 1 80 . 1 1 8 8 VAL CG1 C 13 20.764 0.200 . 2 . . . . 8 Val CG1 . 26789 1 81 . 1 1 8 8 VAL CG2 C 13 22.416 0.200 . 2 . . . . 8 Val CG2 . 26789 1 82 . 1 1 8 8 VAL N N 15 123.797 0.200 . 1 . . . . 8 Val N . 26789 1 83 . 1 1 9 9 ASP H H 1 7.617 0.020 . 1 . . . . 9 Asp H . 26789 1 84 . 1 1 9 9 ASP HA H 1 4.467 0.020 . 1 . . . . 9 Asp HA . 26789 1 85 . 1 1 9 9 ASP HB2 H 1 2.216 0.020 . 2 . . . . 9 Asp HB2 . 26789 1 86 . 1 1 9 9 ASP HB3 H 1 2.546 0.020 . 2 . . . . 9 Asp HB3 . 26789 1 87 . 1 1 9 9 ASP C C 13 174.978 0.200 . 1 . . . . 9 Asp C . 26789 1 88 . 1 1 9 9 ASP CA C 13 54.807 0.200 . 1 . . . . 9 Asp CA . 26789 1 89 . 1 1 9 9 ASP CB C 13 44.186 0.200 . 1 . . . . 9 Asp CB . 26789 1 90 . 1 1 9 9 ASP N N 15 123.385 0.200 . 1 . . . . 9 Asp N . 26789 1 91 . 1 1 10 10 ASP H H 1 9.146 0.020 . 1 . . . . 10 Asp H . 26789 1 92 . 1 1 10 10 ASP HA H 1 4.650 0.020 . 1 . . . . 10 Asp HA . 26789 1 93 . 1 1 10 10 ASP HB2 H 1 2.870 0.020 . 2 . . . . 10 Asp HB2 . 26789 1 94 . 1 1 10 10 ASP HB3 H 1 2.677 0.020 . 2 . . . . 10 Asp HB3 . 26789 1 95 . 1 1 10 10 ASP C C 13 176.825 0.200 . 1 . . . . 10 Asp C . 26789 1 96 . 1 1 10 10 ASP CA C 13 55.520 0.200 . 1 . . . . 10 Asp CA . 26789 1 97 . 1 1 10 10 ASP CB C 13 41.604 0.200 . 1 . . . . 10 Asp CB . 26789 1 98 . 1 1 10 10 ASP N N 15 126.701 0.200 . 1 . . . . 10 Asp N . 26789 1 99 . 1 1 11 11 SER H H 1 9.615 0.020 . 1 . . . . 11 Ser H . 26789 1 100 . 1 1 11 11 SER HA H 1 4.960 0.020 . 1 . . . . 11 Ser HA . 26789 1 101 . 1 1 11 11 SER HB2 H 1 3.901 0.020 . 2 . . . . 11 Ser HB2 . 26789 1 102 . 1 1 11 11 SER HB3 H 1 4.003 0.020 . 2 . . . . 11 Ser HB3 . 26789 1 103 . 1 1 11 11 SER CA C 13 54.297 0.200 . 1 . . . . 11 Ser CA . 26789 1 104 . 1 1 11 11 SER CB C 13 63.076 0.200 . 1 . . . . 11 Ser CB . 26789 1 105 . 1 1 11 11 SER N N 15 118.242 0.200 . 1 . . . . 11 Ser N . 26789 1 106 . 1 1 12 12 PRO HA H 1 4.108 0.020 . 1 . . . . 12 Pro HA . 26789 1 107 . 1 1 12 12 PRO HB2 H 1 2.009 0.020 . 2 . . . . 12 Pro HB2 . 26789 1 108 . 1 1 12 12 PRO HB3 H 1 2.368 0.020 . 2 . . . . 12 Pro HB3 . 26789 1 109 . 1 1 12 12 PRO HG2 H 1 2.165 0.020 . 2 . . . . 12 Pro HG2 . 26789 1 110 . 1 1 12 12 PRO HG3 H 1 2.101 0.020 . 2 . . . . 12 Pro HG3 . 26789 1 111 . 1 1 12 12 PRO HD2 H 1 4.088 0.020 . 2 . . . . 12 Pro HD2 . 26789 1 112 . 1 1 12 12 PRO HD3 H 1 4.315 0.020 . 2 . . . . 12 Pro HD3 . 26789 1 113 . 1 1 12 12 PRO CA C 13 64.775 0.200 . 1 . . . . 12 Pro CA . 26789 1 114 . 1 1 12 12 PRO CB C 13 32.017 0.200 . 1 . . . . 12 Pro CB . 26789 1 115 . 1 1 12 12 PRO CG C 13 27.447 0.200 . 1 . . . . 12 Pro CG . 26789 1 116 . 1 1 12 12 PRO CD C 13 51.228 0.200 . 1 . . . . 12 Pro CD . 26789 1 117 . 1 1 13 13 SER HA H 1 4.197 0.020 . 1 . . . . 13 Ser HA . 26789 1 118 . 1 1 13 13 SER HB2 H 1 3.786 0.020 . 2 . . . . 13 Ser HB2 . 26789 1 119 . 1 1 13 13 SER HB3 H 1 3.788 0.020 . 2 . . . . 13 Ser HB3 . 26789 1 120 . 1 1 13 13 SER C C 13 177.449 0.200 . 1 . . . . 13 Ser C . 26789 1 121 . 1 1 13 13 SER CA C 13 61.008 0.200 . 1 . . . . 13 Ser CA . 26789 1 122 . 1 1 13 13 SER CB C 13 62.127 0.200 . 1 . . . . 13 Ser CB . 26789 1 123 . 1 1 13 13 SER N N 15 113.678 0.200 . 1 . . . . 13 Ser N . 26789 1 124 . 1 1 14 14 VAL H H 1 7.562 0.020 . 1 . . . . 14 Val H . 26789 1 125 . 1 1 14 14 VAL HA H 1 3.640 0.020 . 1 . . . . 14 Val HA . 26789 1 126 . 1 1 14 14 VAL HB H 1 1.960 0.020 . 1 . . . . 14 Val HB . 26789 1 127 . 1 1 14 14 VAL HG11 H 1 0.907 0.020 . 2 . . . . 14 Val HG11 . 26789 1 128 . 1 1 14 14 VAL HG12 H 1 0.907 0.020 . 2 . . . . 14 Val HG12 . 26789 1 129 . 1 1 14 14 VAL HG13 H 1 0.907 0.020 . 2 . . . . 14 Val HG13 . 26789 1 130 . 1 1 14 14 VAL HG21 H 1 0.848 0.020 . 2 . . . . 14 Val HG21 . 26789 1 131 . 1 1 14 14 VAL HG22 H 1 0.848 0.020 . 2 . . . . 14 Val HG22 . 26789 1 132 . 1 1 14 14 VAL HG23 H 1 0.848 0.020 . 2 . . . . 14 Val HG23 . 26789 1 133 . 1 1 14 14 VAL C C 13 178.012 0.200 . 1 . . . . 14 Val C . 26789 1 134 . 1 1 14 14 VAL CA C 13 66.074 0.200 . 1 . . . . 14 Val CA . 26789 1 135 . 1 1 14 14 VAL CB C 13 32.083 0.200 . 1 . . . . 14 Val CB . 26789 1 136 . 1 1 14 14 VAL CG1 C 13 22.389 0.200 . 2 . . . . 14 Val CG1 . 26789 1 137 . 1 1 14 14 VAL CG2 C 13 21.524 0.200 . 2 . . . . 14 Val CG2 . 26789 1 138 . 1 1 14 14 VAL N N 15 125.121 0.200 . 1 . . . . 14 Val N . 26789 1 139 . 1 1 15 15 ARG H H 1 8.139 0.020 . 1 . . . . 15 Arg H . 26789 1 140 . 1 1 15 15 ARG HA H 1 3.597 0.020 . 1 . . . . 15 Arg HA . 26789 1 141 . 1 1 15 15 ARG HB2 H 1 1.836 0.020 . 2 . . . . 15 Arg HB2 . 26789 1 142 . 1 1 15 15 ARG HB3 H 1 1.708 0.020 . 2 . . . . 15 Arg HB3 . 26789 1 143 . 1 1 15 15 ARG HG3 H 1 1.186 0.020 . 1 . . . . 15 Arg HG3 . 26789 1 144 . 1 1 15 15 ARG C C 13 178.138 0.200 . 1 . . . . 15 Arg C . 26789 1 145 . 1 1 15 15 ARG CA C 13 61.406 0.200 . 1 . . . . 15 Arg CA . 26789 1 146 . 1 1 15 15 ARG CB C 13 30.724 0.200 . 1 . . . . 15 Arg CB . 26789 1 147 . 1 1 15 15 ARG CG C 13 29.333 0.200 . 1 . . . . 15 Arg CG . 26789 1 148 . 1 1 15 15 ARG N N 15 118.170 0.200 . 1 . . . . 15 Arg N . 26789 1 149 . 1 1 16 16 SER H H 1 8.084 0.020 . 1 . . . . 16 Ser H . 26789 1 150 . 1 1 16 16 SER HA H 1 4.216 0.020 . 1 . . . . 16 Ser HA . 26789 1 151 . 1 1 16 16 SER HB2 H 1 3.912 0.020 . 2 . . . . 16 Ser HB2 . 26789 1 152 . 1 1 16 16 SER HB3 H 1 3.971 0.020 . 2 . . . . 16 Ser HB3 . 26789 1 153 . 1 1 16 16 SER C C 13 176.593 0.200 . 1 . . . . 16 Ser C . 26789 1 154 . 1 1 16 16 SER CA C 13 61.424 0.200 . 1 . . . . 16 Ser CA . 26789 1 155 . 1 1 16 16 SER CB C 13 62.894 0.200 . 1 . . . . 16 Ser CB . 26789 1 156 . 1 1 16 16 SER N N 15 111.165 0.200 . 1 . . . . 16 Ser N . 26789 1 157 . 1 1 17 17 MET H H 1 7.595 0.020 . 1 . . . . 17 Met H . 26789 1 158 . 1 1 17 17 MET HA H 1 4.230 0.020 . 1 . . . . 17 Met HA . 26789 1 159 . 1 1 17 17 MET HB2 H 1 2.431 0.020 . 2 . . . . 17 Met HB2 . 26789 1 160 . 1 1 17 17 MET HB3 H 1 2.683 0.020 . 2 . . . . 17 Met HB3 . 26789 1 161 . 1 1 17 17 MET HG2 H 1 2.314 0.020 . 2 . . . . 17 Met HG2 . 26789 1 162 . 1 1 17 17 MET HG3 H 1 2.123 0.020 . 2 . . . . 17 Met HG3 . 26789 1 163 . 1 1 17 17 MET C C 13 179.755 0.200 . 1 . . . . 17 Met C . 26789 1 164 . 1 1 17 17 MET CA C 13 59.268 0.200 . 1 . . . . 17 Met CA . 26789 1 165 . 1 1 17 17 MET CB C 13 32.295 0.200 . 1 . . . . 17 Met CB . 26789 1 166 . 1 1 17 17 MET CG C 13 32.088 0.200 . 1 . . . . 17 Met CG . 26789 1 167 . 1 1 17 17 MET N N 15 122.683 0.200 . 1 . . . . 17 Met N . 26789 1 168 . 1 1 18 18 VAL H H 1 8.727 0.020 . 1 . . . . 18 Val H . 26789 1 169 . 1 1 18 18 VAL HA H 1 3.413 0.020 . 1 . . . . 18 Val HA . 26789 1 170 . 1 1 18 18 VAL HB H 1 2.132 0.020 . 1 . . . . 18 Val HB . 26789 1 171 . 1 1 18 18 VAL HG11 H 1 1.075 0.020 . 2 . . . . 18 Val HG11 . 26789 1 172 . 1 1 18 18 VAL HG12 H 1 1.075 0.020 . 2 . . . . 18 Val HG12 . 26789 1 173 . 1 1 18 18 VAL HG13 H 1 1.075 0.020 . 2 . . . . 18 Val HG13 . 26789 1 174 . 1 1 18 18 VAL HG21 H 1 0.725 0.020 . 2 . . . . 18 Val HG21 . 26789 1 175 . 1 1 18 18 VAL HG22 H 1 0.725 0.020 . 2 . . . . 18 Val HG22 . 26789 1 176 . 1 1 18 18 VAL HG23 H 1 0.725 0.020 . 2 . . . . 18 Val HG23 . 26789 1 177 . 1 1 18 18 VAL C C 13 177.065 0.200 . 1 . . . . 18 Val C . 26789 1 178 . 1 1 18 18 VAL CA C 13 66.518 0.200 . 1 . . . . 18 Val CA . 26789 1 179 . 1 1 18 18 VAL CB C 13 31.728 0.200 . 1 . . . . 18 Val CB . 26789 1 180 . 1 1 18 18 VAL CG1 C 13 23.214 0.200 . 2 . . . . 18 Val CG1 . 26789 1 181 . 1 1 18 18 VAL CG2 C 13 22.111 0.200 . 2 . . . . 18 Val CG2 . 26789 1 182 . 1 1 18 18 VAL N N 15 123.388 0.200 . 1 . . . . 18 Val N . 26789 1 183 . 1 1 19 19 ALA H H 1 8.806 0.020 . 1 . . . . 19 Ala H . 26789 1 184 . 1 1 19 19 ALA HA H 1 3.919 0.020 . 1 . . . . 19 Ala HA . 26789 1 185 . 1 1 19 19 ALA HB1 H 1 1.380 0.020 . 1 . . . . 19 Ala HB1 . 26789 1 186 . 1 1 19 19 ALA HB2 H 1 1.380 0.020 . 1 . . . . 19 Ala HB2 . 26789 1 187 . 1 1 19 19 ALA HB3 H 1 1.380 0.020 . 1 . . . . 19 Ala HB3 . 26789 1 188 . 1 1 19 19 ALA C C 13 179.356 0.200 . 1 . . . . 19 Ala C . 26789 1 189 . 1 1 19 19 ALA CA C 13 55.707 0.200 . 1 . . . . 19 Ala CA . 26789 1 190 . 1 1 19 19 ALA CB C 13 18.170 0.200 . 1 . . . . 19 Ala CB . 26789 1 191 . 1 1 19 19 ALA N N 15 120.983 0.200 . 1 . . . . 19 Ala N . 26789 1 192 . 1 1 20 20 MET H H 1 8.647 0.020 . 1 . . . . 20 Met H . 26789 1 193 . 1 1 20 20 MET HA H 1 4.120 0.020 . 1 . . . . 20 Met HA . 26789 1 194 . 1 1 20 20 MET HB2 H 1 2.213 0.020 . 2 . . . . 20 Met HB2 . 26789 1 195 . 1 1 20 20 MET HB3 H 1 2.141 0.020 . 2 . . . . 20 Met HB3 . 26789 1 196 . 1 1 20 20 MET HG2 H 1 2.651 0.020 . 2 . . . . 20 Met HG2 . 26789 1 197 . 1 1 20 20 MET HG3 H 1 2.706 0.020 . 2 . . . . 20 Met HG3 . 26789 1 198 . 1 1 20 20 MET C C 13 178.908 0.200 . 1 . . . . 20 Met C . 26789 1 199 . 1 1 20 20 MET CA C 13 59.042 0.200 . 1 . . . . 20 Met CA . 26789 1 200 . 1 1 20 20 MET CB C 13 32.290 0.200 . 1 . . . . 20 Met CB . 26789 1 201 . 1 1 20 20 MET CG C 13 31.743 0.200 . 1 . . . . 20 Met CG . 26789 1 202 . 1 1 20 20 MET N N 15 116.433 0.200 . 1 . . . . 20 Met N . 26789 1 203 . 1 1 21 21 THR H H 1 7.952 0.020 . 1 . . . . 21 Thr H . 26789 1 204 . 1 1 21 21 THR HA H 1 3.884 0.020 . 1 . . . . 21 Thr HA . 26789 1 205 . 1 1 21 21 THR HB H 1 4.213 0.020 . 1 . . . . 21 Thr HB . 26789 1 206 . 1 1 21 21 THR HG21 H 1 1.231 0.020 . 1 . . . . 21 Thr HG21 . 26789 1 207 . 1 1 21 21 THR HG22 H 1 1.231 0.020 . 1 . . . . 21 Thr HG22 . 26789 1 208 . 1 1 21 21 THR HG23 H 1 1.231 0.020 . 1 . . . . 21 Thr HG23 . 26789 1 209 . 1 1 21 21 THR C C 13 176.820 0.200 . 1 . . . . 21 Thr C . 26789 1 210 . 1 1 21 21 THR CA C 13 66.952 0.200 . 1 . . . . 21 Thr CA . 26789 1 211 . 1 1 21 21 THR CB C 13 68.730 0.200 . 1 . . . . 21 Thr CB . 26789 1 212 . 1 1 21 21 THR CG2 C 13 21.759 0.200 . 1 . . . . 21 Thr CG2 . 26789 1 213 . 1 1 21 21 THR N N 15 116.192 0.200 . 1 . . . . 21 Thr N . 26789 1 214 . 1 1 22 22 LEU H H 1 8.261 0.020 . 1 . . . . 22 Leu H . 26789 1 215 . 1 1 22 22 LEU HA H 1 4.137 0.020 . 1 . . . . 22 Leu HA . 26789 1 216 . 1 1 22 22 LEU HB2 H 1 1.906 0.020 . 2 . . . . 22 Leu HB2 . 26789 1 217 . 1 1 22 22 LEU HB3 H 1 1.120 0.020 . 2 . . . . 22 Leu HB3 . 26789 1 218 . 1 1 22 22 LEU HG H 1 1.803 0.020 . 1 . . . . 22 Leu HG . 26789 1 219 . 1 1 22 22 LEU HD11 H 1 0.507 0.020 . 2 . . . . 22 Leu HD11 . 26789 1 220 . 1 1 22 22 LEU HD12 H 1 0.507 0.020 . 2 . . . . 22 Leu HD12 . 26789 1 221 . 1 1 22 22 LEU HD13 H 1 0.507 0.020 . 2 . . . . 22 Leu HD13 . 26789 1 222 . 1 1 22 22 LEU HD21 H 1 0.416 0.020 . 2 . . . . 22 Leu HD21 . 26789 1 223 . 1 1 22 22 LEU HD22 H 1 0.416 0.020 . 2 . . . . 22 Leu HD22 . 26789 1 224 . 1 1 22 22 LEU HD23 H 1 0.416 0.020 . 2 . . . . 22 Leu HD23 . 26789 1 225 . 1 1 22 22 LEU C C 13 179.340 0.200 . 1 . . . . 22 Leu C . 26789 1 226 . 1 1 22 22 LEU CA C 13 57.505 0.200 . 1 . . . . 22 Leu CA . 26789 1 227 . 1 1 22 22 LEU CB C 13 40.566 0.200 . 1 . . . . 22 Leu CB . 26789 1 228 . 1 1 22 22 LEU CG C 13 26.772 0.200 . 1 . . . . 22 Leu CG . 26789 1 229 . 1 1 22 22 LEU CD1 C 13 26.213 0.200 . 2 . . . . 22 Leu CD1 . 26789 1 230 . 1 1 22 22 LEU CD2 C 13 22.506 0.200 . 2 . . . . 22 Leu CD2 . 26789 1 231 . 1 1 22 22 LEU N N 15 119.191 0.200 . 1 . . . . 22 Leu N . 26789 1 232 . 1 1 23 23 ARG H H 1 8.820 0.020 . 1 . . . . 23 Arg H . 26789 1 233 . 1 1 23 23 ARG HA H 1 4.790 0.020 . 1 . . . . 23 Arg HA . 26789 1 234 . 1 1 23 23 ARG HB2 H 1 1.933 0.020 . 1 . . . . 23 Arg HB2 . 26789 1 235 . 1 1 23 23 ARG HB3 H 1 1.933 0.020 . 1 . . . . 23 Arg HB3 . 26789 1 236 . 1 1 23 23 ARG C C 13 181.828 0.200 . 1 . . . . 23 Arg C . 26789 1 237 . 1 1 23 23 ARG CA C 13 59.862 0.200 . 1 . . . . 23 Arg CA . 26789 1 238 . 1 1 23 23 ARG CB C 13 30.051 0.200 . 1 . . . . 23 Arg CB . 26789 1 239 . 1 1 23 23 ARG N N 15 121.879 0.200 . 1 . . . . 23 Arg N . 26789 1 240 . 1 1 24 24 GLU H H 1 7.930 0.020 . 1 . . . . 24 Glu H . 26789 1 241 . 1 1 24 24 GLU HA H 1 4.086 0.020 . 1 . . . . 24 Glu HA . 26789 1 242 . 1 1 24 24 GLU HB2 H 1 2.173 0.020 . 2 . . . . 24 Glu HB2 . 26789 1 243 . 1 1 24 24 GLU HB3 H 1 2.165 0.020 . 2 . . . . 24 Glu HB3 . 26789 1 244 . 1 1 24 24 GLU HG2 H 1 2.478 0.020 . 2 . . . . 24 Glu HG2 . 26789 1 245 . 1 1 24 24 GLU HG3 H 1 2.311 0.020 . 2 . . . . 24 Glu HG3 . 26789 1 246 . 1 1 24 24 GLU C C 13 177.286 0.200 . 1 . . . . 24 Glu C . 26789 1 247 . 1 1 24 24 GLU CA C 13 59.050 0.200 . 1 . . . . 24 Glu CA . 26789 1 248 . 1 1 24 24 GLU CB C 13 29.305 0.200 . 1 . . . . 24 Glu CB . 26789 1 249 . 1 1 24 24 GLU CG C 13 36.673 0.200 . 1 . . . . 24 Glu CG . 26789 1 250 . 1 1 24 24 GLU N N 15 120.818 0.200 . 1 . . . . 24 Glu N . 26789 1 251 . 1 1 25 25 ALA H H 1 7.264 0.020 . 1 . . . . 25 Ala H . 26789 1 252 . 1 1 25 25 ALA HA H 1 4.480 0.020 . 1 . . . . 25 Ala HA . 26789 1 253 . 1 1 25 25 ALA HB1 H 1 1.649 0.020 . 1 . . . . 25 Ala HB1 . 26789 1 254 . 1 1 25 25 ALA HB2 H 1 1.649 0.020 . 1 . . . . 25 Ala HB2 . 26789 1 255 . 1 1 25 25 ALA HB3 H 1 1.649 0.020 . 1 . . . . 25 Ala HB3 . 26789 1 256 . 1 1 25 25 ALA C C 13 176.691 0.200 . 1 . . . . 25 Ala C . 26789 1 257 . 1 1 25 25 ALA CA C 13 51.759 0.200 . 1 . . . . 25 Ala CA . 26789 1 258 . 1 1 25 25 ALA CB C 13 19.420 0.200 . 1 . . . . 25 Ala CB . 26789 1 259 . 1 1 25 25 ALA N N 15 119.427 0.200 . 1 . . . . 25 Ala N . 26789 1 260 . 1 1 26 26 GLY H H 1 7.730 0.020 . 1 . . . . 26 Gly H . 26789 1 261 . 1 1 26 26 GLY HA2 H 1 4.112 0.020 . 2 . . . . 26 Gly HA2 . 26789 1 262 . 1 1 26 26 GLY HA3 H 1 3.659 0.020 . 2 . . . . 26 Gly HA3 . 26789 1 263 . 1 1 26 26 GLY C C 13 174.554 0.200 . 1 . . . . 26 Gly C . 26789 1 264 . 1 1 26 26 GLY CA C 13 45.442 0.200 . 1 . . . . 26 Gly CA . 26789 1 265 . 1 1 26 26 GLY N N 15 105.903 0.200 . 1 . . . . 26 Gly N . 26789 1 266 . 1 1 27 27 TYR H H 1 8.095 0.020 . 1 . . . . 27 Tyr H . 26789 1 267 . 1 1 27 27 TYR HA H 1 4.605 0.020 . 1 . . . . 27 Tyr HA . 26789 1 268 . 1 1 27 27 TYR HB2 H 1 2.867 0.020 . 2 . . . . 27 Tyr HB2 . 26789 1 269 . 1 1 27 27 TYR HB3 H 1 2.343 0.020 . 2 . . . . 27 Tyr HB3 . 26789 1 270 . 1 1 27 27 TYR C C 13 175.949 0.200 . 1 . . . . 27 Tyr C . 26789 1 271 . 1 1 27 27 TYR CA C 13 58.071 0.200 . 1 . . . . 27 Tyr CA . 26789 1 272 . 1 1 27 27 TYR CB C 13 38.686 0.200 . 1 . . . . 27 Tyr CB . 26789 1 273 . 1 1 27 27 TYR N N 15 120.198 0.200 . 1 . . . . 27 Tyr N . 26789 1 274 . 1 1 28 28 ARG H H 1 8.799 0.020 . 1 . . . . 28 Arg H . 26789 1 275 . 1 1 28 28 ARG HA H 1 4.556 0.020 . 1 . . . . 28 Arg HA . 26789 1 276 . 1 1 28 28 ARG HB2 H 1 1.869 0.020 . 2 . . . . 28 Arg HB2 . 26789 1 277 . 1 1 28 28 ARG HB3 H 1 1.740 0.020 . 2 . . . . 28 Arg HB3 . 26789 1 278 . 1 1 28 28 ARG HG2 H 1 1.708 0.020 . 2 . . . . 28 Arg HG2 . 26789 1 279 . 1 1 28 28 ARG HG3 H 1 1.365 0.020 . 2 . . . . 28 Arg HG3 . 26789 1 280 . 1 1 28 28 ARG HD2 H 1 3.134 0.020 . 2 . . . . 28 Arg HD2 . 26789 1 281 . 1 1 28 28 ARG HD3 H 1 3.143 0.020 . 2 . . . . 28 Arg HD3 . 26789 1 282 . 1 1 28 28 ARG C C 13 175.435 0.200 . 1 . . . . 28 Arg C . 26789 1 283 . 1 1 28 28 ARG CA C 13 55.627 0.200 . 1 . . . . 28 Arg CA . 26789 1 284 . 1 1 28 28 ARG CB C 13 30.981 0.200 . 1 . . . . 28 Arg CB . 26789 1 285 . 1 1 28 28 ARG CG C 13 28.470 0.200 . 1 . . . . 28 Arg CG . 26789 1 286 . 1 1 28 28 ARG CD C 13 43.363 0.200 . 1 . . . . 28 Arg CD . 26789 1 287 . 1 1 28 28 ARG N N 15 122.694 0.200 . 1 . . . . 28 Arg N . 26789 1 288 . 1 1 29 29 VAL H H 1 8.750 0.020 . 1 . . . . 29 Val H . 26789 1 289 . 1 1 29 29 VAL HA H 1 5.333 0.020 . 1 . . . . 29 Val HA . 26789 1 290 . 1 1 29 29 VAL HB H 1 1.792 0.020 . 1 . . . . 29 Val HB . 26789 1 291 . 1 1 29 29 VAL HG11 H 1 0.917 0.020 . 2 . . . . 29 Val HG11 . 26789 1 292 . 1 1 29 29 VAL HG12 H 1 0.917 0.020 . 2 . . . . 29 Val HG12 . 26789 1 293 . 1 1 29 29 VAL HG13 H 1 0.917 0.020 . 2 . . . . 29 Val HG13 . 26789 1 294 . 1 1 29 29 VAL HG21 H 1 0.764 0.020 . 2 . . . . 29 Val HG21 . 26789 1 295 . 1 1 29 29 VAL HG22 H 1 0.764 0.020 . 2 . . . . 29 Val HG22 . 26789 1 296 . 1 1 29 29 VAL HG23 H 1 0.764 0.020 . 2 . . . . 29 Val HG23 . 26789 1 297 . 1 1 29 29 VAL C C 13 175.847 0.200 . 1 . . . . 29 Val C . 26789 1 298 . 1 1 29 29 VAL CA C 13 60.485 0.200 . 1 . . . . 29 Val CA . 26789 1 299 . 1 1 29 29 VAL CB C 13 34.861 0.200 . 1 . . . . 29 Val CB . 26789 1 300 . 1 1 29 29 VAL CG1 C 13 23.707 0.200 . 2 . . . . 29 Val CG1 . 26789 1 301 . 1 1 29 29 VAL CG2 C 13 21.033 0.200 . 2 . . . . 29 Val CG2 . 26789 1 302 . 1 1 29 29 VAL N N 15 124.780 0.200 . 1 . . . . 29 Val N . 26789 1 303 . 1 1 30 30 ILE H H 1 8.781 0.020 . 1 . . . . 30 Ile H . 26789 1 304 . 1 1 30 30 ILE HA H 1 4.437 0.020 . 1 . . . . 30 Ile HA . 26789 1 305 . 1 1 30 30 ILE HB H 1 1.566 0.020 . 1 . . . . 30 Ile HB . 26789 1 306 . 1 1 30 30 ILE HG12 H 1 0.865 0.020 . 2 . . . . 30 Ile HG12 . 26789 1 307 . 1 1 30 30 ILE HG13 H 1 1.300 0.020 . 2 . . . . 30 Ile HG13 . 26789 1 308 . 1 1 30 30 ILE HG21 H 1 0.816 0.020 . 1 . . . . 30 Ile HG21 . 26789 1 309 . 1 1 30 30 ILE HG22 H 1 0.816 0.020 . 1 . . . . 30 Ile HG22 . 26789 1 310 . 1 1 30 30 ILE HG23 H 1 0.816 0.020 . 1 . . . . 30 Ile HG23 . 26789 1 311 . 1 1 30 30 ILE HD11 H 1 0.652 0.020 . 1 . . . . 30 Ile HD11 . 26789 1 312 . 1 1 30 30 ILE HD12 H 1 0.652 0.020 . 1 . . . . 30 Ile HD12 . 26789 1 313 . 1 1 30 30 ILE HD13 H 1 0.652 0.020 . 1 . . . . 30 Ile HD13 . 26789 1 314 . 1 1 30 30 ILE C C 13 174.170 0.200 . 1 . . . . 30 Ile C . 26789 1 315 . 1 1 30 30 ILE CA C 13 59.650 0.200 . 1 . . . . 30 Ile CA . 26789 1 316 . 1 1 30 30 ILE CB C 13 40.724 0.200 . 1 . . . . 30 Ile CB . 26789 1 317 . 1 1 30 30 ILE CG1 C 13 26.267 0.200 . 1 . . . . 30 Ile CG1 . 26789 1 318 . 1 1 30 30 ILE CG2 C 13 17.881 0.200 . 1 . . . . 30 Ile CG2 . 26789 1 319 . 1 1 30 30 ILE CD1 C 13 13.874 0.200 . 1 . . . . 30 Ile CD1 . 26789 1 320 . 1 1 30 30 ILE N N 15 126.795 0.200 . 1 . . . . 30 Ile N . 26789 1 321 . 1 1 31 31 GLU H H 1 8.735 0.020 . 1 . . . . 31 Glu H . 26789 1 322 . 1 1 31 31 GLU HA H 1 5.221 0.020 . 1 . . . . 31 Glu HA . 26789 1 323 . 1 1 31 31 GLU HB2 H 1 1.831 0.020 . 2 . . . . 31 Glu HB2 . 26789 1 324 . 1 1 31 31 GLU HB3 H 1 1.830 0.020 . 2 . . . . 31 Glu HB3 . 26789 1 325 . 1 1 31 31 GLU HG2 H 1 1.925 0.020 . 2 . . . . 31 Glu HG2 . 26789 1 326 . 1 1 31 31 GLU HG3 H 1 1.999 0.020 . 2 . . . . 31 Glu HG3 . 26789 1 327 . 1 1 31 31 GLU C C 13 175.104 0.200 . 1 . . . . 31 Glu C . 26789 1 328 . 1 1 31 31 GLU CA C 13 55.519 0.200 . 1 . . . . 31 Glu CA . 26789 1 329 . 1 1 31 31 GLU CB C 13 34.491 0.200 . 1 . . . . 31 Glu CB . 26789 1 330 . 1 1 31 31 GLU CG C 13 37.773 0.200 . 1 . . . . 31 Glu CG . 26789 1 331 . 1 1 31 31 GLU N N 15 123.818 0.200 . 1 . . . . 31 Glu N . 26789 1 332 . 1 1 32 32 ALA H H 1 8.697 0.020 . 1 . . . . 32 Ala H . 26789 1 333 . 1 1 32 32 ALA HA H 1 4.702 0.020 . 1 . . . . 32 Ala HA . 26789 1 334 . 1 1 32 32 ALA HB1 H 1 1.248 0.020 . 1 . . . . 32 Ala HB1 . 26789 1 335 . 1 1 32 32 ALA HB2 H 1 1.248 0.020 . 1 . . . . 32 Ala HB2 . 26789 1 336 . 1 1 32 32 ALA HB3 H 1 1.248 0.020 . 1 . . . . 32 Ala HB3 . 26789 1 337 . 1 1 32 32 ALA C C 13 175.835 0.200 . 1 . . . . 32 Ala C . 26789 1 338 . 1 1 32 32 ALA CA C 13 50.738 0.200 . 1 . . . . 32 Ala CA . 26789 1 339 . 1 1 32 32 ALA CB C 13 23.052 0.200 . 1 . . . . 32 Ala CB . 26789 1 340 . 1 1 32 32 ALA N N 15 121.388 0.200 . 1 . . . . 32 Ala N . 26789 1 341 . 1 1 33 33 THR H H 1 8.666 0.020 . 1 . . . . 33 Thr H . 26789 1 342 . 1 1 33 33 THR HA H 1 4.411 0.020 . 1 . . . . 33 Thr HA . 26789 1 343 . 1 1 33 33 THR HB H 1 4.316 0.020 . 1 . . . . 33 Thr HB . 26789 1 344 . 1 1 33 33 THR HG21 H 1 1.116 0.020 . 1 . . . . 33 Thr HG21 . 26789 1 345 . 1 1 33 33 THR HG22 H 1 1.116 0.020 . 1 . . . . 33 Thr HG22 . 26789 1 346 . 1 1 33 33 THR HG23 H 1 1.116 0.020 . 1 . . . . 33 Thr HG23 . 26789 1 347 . 1 1 33 33 THR C C 13 173.051 0.200 . 1 . . . . 33 Thr C . 26789 1 348 . 1 1 33 33 THR CA C 13 62.307 0.200 . 1 . . . . 33 Thr CA . 26789 1 349 . 1 1 33 33 THR CB C 13 70.046 0.200 . 1 . . . . 33 Thr CB . 26789 1 350 . 1 1 33 33 THR CG2 C 13 21.204 0.200 . 1 . . . . 33 Thr CG2 . 26789 1 351 . 1 1 33 33 THR N N 15 109.538 0.200 . 1 . . . . 33 Thr N . 26789 1 352 . 1 1 34 34 ASP H H 1 7.274 0.020 . 1 . . . . 34 Asp H . 26789 1 353 . 1 1 34 34 ASP HA H 1 4.875 0.020 . 1 . . . . 34 Asp HA . 26789 1 354 . 1 1 34 34 ASP HB2 H 1 2.869 0.020 . 2 . . . . 34 Asp HB2 . 26789 1 355 . 1 1 34 34 ASP HB3 H 1 3.287 0.020 . 2 . . . . 34 Asp HB3 . 26789 1 356 . 1 1 34 34 ASP C C 13 176.343 0.200 . 1 . . . . 34 Asp C . 26789 1 357 . 1 1 34 34 ASP CA C 13 53.217 0.200 . 1 . . . . 34 Asp CA . 26789 1 358 . 1 1 34 34 ASP CB C 13 42.968 0.200 . 1 . . . . 34 Asp CB . 26789 1 359 . 1 1 34 34 ASP N N 15 115.003 0.200 . 1 . . . . 34 Asp N . 26789 1 360 . 1 1 35 35 GLY HA2 H 1 3.928 0.020 . 2 . . . . 35 Gly HA2 . 26789 1 361 . 1 1 35 35 GLY HA3 H 1 3.444 0.020 . 2 . . . . 35 Gly HA3 . 26789 1 362 . 1 1 35 35 GLY C C 13 174.616 0.200 . 1 . . . . 35 Gly C . 26789 1 363 . 1 1 35 35 GLY CA C 13 47.627 0.200 . 1 . . . . 35 Gly CA . 26789 1 364 . 1 1 36 36 ARG H H 1 8.288 0.020 . 1 . . . . 36 Arg H . 26789 1 365 . 1 1 36 36 ARG HA H 1 4.012 0.020 . 1 . . . . 36 Arg HA . 26789 1 366 . 1 1 36 36 ARG HB2 H 1 1.976 0.020 . 1 . . . . 36 Arg HB2 . 26789 1 367 . 1 1 36 36 ARG C C 13 178.878 0.200 . 1 . . . . 36 Arg C . 26789 1 368 . 1 1 36 36 ARG CA C 13 58.904 0.200 . 1 . . . . 36 Arg CA . 26789 1 369 . 1 1 36 36 ARG CB C 13 29.443 0.200 . 1 . . . . 36 Arg CB . 26789 1 370 . 1 1 36 36 ARG N N 15 123.412 0.200 . 1 . . . . 36 Arg N . 26789 1 371 . 1 1 37 37 GLU H H 1 8.733 0.020 . 1 . . . . 37 Glu H . 26789 1 372 . 1 1 37 37 GLU HA H 1 4.035 0.020 . 1 . . . . 37 Glu HA . 26789 1 373 . 1 1 37 37 GLU HB2 H 1 2.021 0.020 . 2 . . . . 37 Glu HB2 . 26789 1 374 . 1 1 37 37 GLU HB3 H 1 2.010 0.020 . 2 . . . . 37 Glu HB3 . 26789 1 375 . 1 1 37 37 GLU HG2 H 1 2.423 0.020 . 2 . . . . 37 Glu HG2 . 26789 1 376 . 1 1 37 37 GLU HG3 H 1 2.138 0.020 . 2 . . . . 37 Glu HG3 . 26789 1 377 . 1 1 37 37 GLU C C 13 179.246 0.200 . 1 . . . . 37 Glu C . 26789 1 378 . 1 1 37 37 GLU CA C 13 58.824 0.200 . 1 . . . . 37 Glu CA . 26789 1 379 . 1 1 37 37 GLU CB C 13 30.386 0.200 . 1 . . . . 37 Glu CB . 26789 1 380 . 1 1 37 37 GLU CG C 13 36.527 0.200 . 1 . . . . 37 Glu CG . 26789 1 381 . 1 1 37 37 GLU N N 15 122.710 0.200 . 1 . . . . 37 Glu N . 26789 1 382 . 1 1 38 38 GLY H H 1 8.631 0.020 . 1 . . . . 38 Gly H . 26789 1 383 . 1 1 38 38 GLY HA2 H 1 3.185 0.020 . 2 . . . . 38 Gly HA2 . 26789 1 384 . 1 1 38 38 GLY HA3 H 1 2.968 0.020 . 2 . . . . 38 Gly HA3 . 26789 1 385 . 1 1 38 38 GLY C C 13 173.435 0.200 . 1 . . . . 38 Gly C . 26789 1 386 . 1 1 38 38 GLY CA C 13 47.665 0.200 . 1 . . . . 38 Gly CA . 26789 1 387 . 1 1 38 38 GLY N N 15 105.979 0.200 . 1 . . . . 38 Gly N . 26789 1 388 . 1 1 39 39 LEU H H 1 7.766 0.020 . 1 . . . . 39 Leu H . 26789 1 389 . 1 1 39 39 LEU HA H 1 3.870 0.020 . 1 . . . . 39 Leu HA . 26789 1 390 . 1 1 39 39 LEU HB2 H 1 1.907 0.020 . 2 . . . . 39 Leu HB2 . 26789 1 391 . 1 1 39 39 LEU HB3 H 1 1.501 0.020 . 2 . . . . 39 Leu HB3 . 26789 1 392 . 1 1 39 39 LEU HG H 1 1.625 0.020 . 1 . . . . 39 Leu HG . 26789 1 393 . 1 1 39 39 LEU HD11 H 1 0.852 0.020 . 2 . . . . 39 Leu HD11 . 26789 1 394 . 1 1 39 39 LEU HD12 H 1 0.852 0.020 . 2 . . . . 39 Leu HD12 . 26789 1 395 . 1 1 39 39 LEU HD13 H 1 0.852 0.020 . 2 . . . . 39 Leu HD13 . 26789 1 396 . 1 1 39 39 LEU HD21 H 1 0.849 0.020 . 2 . . . . 39 Leu HD21 . 26789 1 397 . 1 1 39 39 LEU HD22 H 1 0.849 0.020 . 2 . . . . 39 Leu HD22 . 26789 1 398 . 1 1 39 39 LEU HD23 H 1 0.849 0.020 . 2 . . . . 39 Leu HD23 . 26789 1 399 . 1 1 39 39 LEU C C 13 177.215 0.200 . 1 . . . . 39 Leu C . 26789 1 400 . 1 1 39 39 LEU CA C 13 58.346 0.200 . 1 . . . . 39 Leu CA . 26789 1 401 . 1 1 39 39 LEU CB C 13 41.813 0.200 . 1 . . . . 39 Leu CB . 26789 1 402 . 1 1 39 39 LEU CG C 13 26.618 0.200 . 1 . . . . 39 Leu CG . 26789 1 403 . 1 1 39 39 LEU CD1 C 13 25.781 0.200 . 2 . . . . 39 Leu CD1 . 26789 1 404 . 1 1 39 39 LEU CD2 C 13 23.178 0.200 . 2 . . . . 39 Leu CD2 . 26789 1 405 . 1 1 39 39 LEU N N 15 123.231 0.200 . 1 . . . . 39 Leu N . 26789 1 406 . 1 1 40 40 GLU H H 1 7.526 0.020 . 1 . . . . 40 Glu H . 26789 1 407 . 1 1 40 40 GLU HA H 1 3.870 0.020 . 1 . . . . 40 Glu HA . 26789 1 408 . 1 1 40 40 GLU HB2 H 1 2.074 0.020 . 2 . . . . 40 Glu HB2 . 26789 1 409 . 1 1 40 40 GLU HB3 H 1 2.080 0.020 . 2 . . . . 40 Glu HB3 . 26789 1 410 . 1 1 40 40 GLU HG2 H 1 2.356 0.020 . 2 . . . . 40 Glu HG2 . 26789 1 411 . 1 1 40 40 GLU HG3 H 1 2.142 0.020 . 2 . . . . 40 Glu HG3 . 26789 1 412 . 1 1 40 40 GLU C C 13 180.968 0.200 . 1 . . . . 40 Glu C . 26789 1 413 . 1 1 40 40 GLU CA C 13 59.424 0.200 . 1 . . . . 40 Glu CA . 26789 1 414 . 1 1 40 40 GLU CB C 13 29.428 0.200 . 1 . . . . 40 Glu CB . 26789 1 415 . 1 1 40 40 GLU CG C 13 36.194 0.200 . 1 . . . . 40 Glu CG . 26789 1 416 . 1 1 40 40 GLU N N 15 116.498 0.200 . 1 . . . . 40 Glu N . 26789 1 417 . 1 1 41 41 LYS H H 1 8.279 0.020 . 1 . . . . 41 Lys H . 26789 1 418 . 1 1 41 41 LYS HA H 1 4.032 0.020 . 1 . . . . 41 Lys HA . 26789 1 419 . 1 1 41 41 LYS HB2 H 1 1.848 0.020 . 2 . . . . 41 Lys HB2 . 26789 1 420 . 1 1 41 41 LYS HB3 H 1 1.496 0.020 . 2 . . . . 41 Lys HB3 . 26789 1 421 . 1 1 41 41 LYS C C 13 177.934 0.200 . 1 . . . . 41 Lys C . 26789 1 422 . 1 1 41 41 LYS CA C 13 59.384 0.200 . 1 . . . . 41 Lys CA . 26789 1 423 . 1 1 41 41 LYS CB C 13 32.967 0.200 . 1 . . . . 41 Lys CB . 26789 1 424 . 1 1 41 41 LYS N N 15 119.094 0.200 . 1 . . . . 41 Lys N . 26789 1 425 . 1 1 42 42 ALA H H 1 8.475 0.020 . 1 . . . . 42 Ala H . 26789 1 426 . 1 1 42 42 ALA HA H 1 3.865 0.020 . 1 . . . . 42 Ala HA . 26789 1 427 . 1 1 42 42 ALA HB1 H 1 1.090 0.020 . 1 . . . . 42 Ala HB1 . 26789 1 428 . 1 1 42 42 ALA HB2 H 1 1.090 0.020 . 1 . . . . 42 Ala HB2 . 26789 1 429 . 1 1 42 42 ALA HB3 H 1 1.090 0.020 . 1 . . . . 42 Ala HB3 . 26789 1 430 . 1 1 42 42 ALA C C 13 177.592 0.200 . 1 . . . . 42 Ala C . 26789 1 431 . 1 1 42 42 ALA CA C 13 54.412 0.200 . 1 . . . . 42 Ala CA . 26789 1 432 . 1 1 42 42 ALA CB C 13 18.196 0.200 . 1 . . . . 42 Ala CB . 26789 1 433 . 1 1 42 42 ALA N N 15 120.612 0.200 . 1 . . . . 42 Ala N . 26789 1 434 . 1 1 43 43 LEU H H 1 7.419 0.020 . 1 . . . . 43 Leu H . 26789 1 435 . 1 1 43 43 LEU HA H 1 4.347 0.020 . 1 . . . . 43 Leu HA . 26789 1 436 . 1 1 43 43 LEU HB2 H 1 1.695 0.020 . 2 . . . . 43 Leu HB2 . 26789 1 437 . 1 1 43 43 LEU HB3 H 1 1.420 0.020 . 2 . . . . 43 Leu HB3 . 26789 1 438 . 1 1 43 43 LEU HG H 1 1.776 0.020 . 1 . . . . 43 Leu HG . 26789 1 439 . 1 1 43 43 LEU HD11 H 1 0.545 0.020 . 2 . . . . 43 Leu HD11 . 26789 1 440 . 1 1 43 43 LEU HD12 H 1 0.545 0.020 . 2 . . . . 43 Leu HD12 . 26789 1 441 . 1 1 43 43 LEU HD13 H 1 0.545 0.020 . 2 . . . . 43 Leu HD13 . 26789 1 442 . 1 1 43 43 LEU HD21 H 1 0.468 0.020 . 2 . . . . 43 Leu HD21 . 26789 1 443 . 1 1 43 43 LEU HD22 H 1 0.468 0.020 . 2 . . . . 43 Leu HD22 . 26789 1 444 . 1 1 43 43 LEU HD23 H 1 0.468 0.020 . 2 . . . . 43 Leu HD23 . 26789 1 445 . 1 1 43 43 LEU C C 13 178.270 0.200 . 1 . . . . 43 Leu C . 26789 1 446 . 1 1 43 43 LEU CA C 13 55.017 0.200 . 1 . . . . 43 Leu CA . 26789 1 447 . 1 1 43 43 LEU CB C 13 42.228 0.200 . 1 . . . . 43 Leu CB . 26789 1 448 . 1 1 43 43 LEU CG C 13 26.388 0.200 . 1 . . . . 43 Leu CG . 26789 1 449 . 1 1 43 43 LEU CD1 C 13 22.338 0.200 . 2 . . . . 43 Leu CD1 . 26789 1 450 . 1 1 43 43 LEU CD2 C 13 24.542 0.200 . 2 . . . . 43 Leu CD2 . 26789 1 451 . 1 1 43 43 LEU N N 15 112.310 0.200 . 1 . . . . 43 Leu N . 26789 1 452 . 1 1 44 44 SER H H 1 7.759 0.020 . 1 . . . . 44 Ser H . 26789 1 453 . 1 1 44 44 SER HA H 1 4.537 0.020 . 1 . . . . 44 Ser HA . 26789 1 454 . 1 1 44 44 SER HB2 H 1 3.875 0.020 . 2 . . . . 44 Ser HB2 . 26789 1 455 . 1 1 44 44 SER HB3 H 1 3.992 0.020 . 2 . . . . 44 Ser HB3 . 26789 1 456 . 1 1 44 44 SER C C 13 173.757 0.200 . 1 . . . . 44 Ser C . 26789 1 457 . 1 1 44 44 SER CA C 13 59.564 0.200 . 1 . . . . 44 Ser CA . 26789 1 458 . 1 1 44 44 SER CB C 13 65.157 0.200 . 1 . . . . 44 Ser CB . 26789 1 459 . 1 1 44 44 SER N N 15 113.663 0.200 . 1 . . . . 44 Ser N . 26789 1 460 . 1 1 45 45 GLU H H 1 8.042 0.020 . 1 . . . . 45 Glu H . 26789 1 461 . 1 1 45 45 GLU HA H 1 4.835 0.020 . 1 . . . . 45 Glu HA . 26789 1 462 . 1 1 45 45 GLU HB2 H 1 1.910 0.020 . 2 . . . . 45 Glu HB2 . 26789 1 463 . 1 1 45 45 GLU HB3 H 1 1.886 0.020 . 2 . . . . 45 Glu HB3 . 26789 1 464 . 1 1 45 45 GLU HG2 H 1 2.235 0.020 . 2 . . . . 45 Glu HG2 . 26789 1 465 . 1 1 45 45 GLU HG3 H 1 2.010 0.020 . 2 . . . . 45 Glu HG3 . 26789 1 466 . 1 1 45 45 GLU CA C 13 53.736 0.200 . 1 . . . . 45 Glu CA . 26789 1 467 . 1 1 45 45 GLU CB C 13 30.547 0.200 . 1 . . . . 45 Glu CB . 26789 1 468 . 1 1 45 45 GLU CG C 13 35.518 0.200 . 1 . . . . 45 Glu CG . 26789 1 469 . 1 1 45 45 GLU N N 15 122.496 0.200 . 1 . . . . 45 Glu N . 26789 1 470 . 1 1 46 46 PRO HA H 1 4.566 0.020 . 1 . . . . 46 Pro HA . 26789 1 471 . 1 1 46 46 PRO HB2 H 1 2.056 0.020 . 2 . . . . 46 Pro HB2 . 26789 1 472 . 1 1 46 46 PRO HB3 H 1 2.088 0.020 . 2 . . . . 46 Pro HB3 . 26789 1 473 . 1 1 46 46 PRO HD3 H 1 3.730 0.020 . 1 . . . . 46 Pro HD3 . 26789 1 474 . 1 1 46 46 PRO C C 13 176.226 0.200 . 1 . . . . 46 Pro C . 26789 1 475 . 1 1 46 46 PRO CA C 13 62.973 0.200 . 1 . . . . 46 Pro CA . 26789 1 476 . 1 1 46 46 PRO CB C 13 30.302 0.200 . 1 . . . . 46 Pro CB . 26789 1 477 . 1 1 47 47 VAL H H 1 8.083 0.020 . 1 . . . . 47 Val H . 26789 1 478 . 1 1 47 47 VAL HA H 1 4.073 0.020 . 1 . . . . 47 Val HA . 26789 1 479 . 1 1 47 47 VAL HB H 1 2.013 0.020 . 1 . . . . 47 Val HB . 26789 1 480 . 1 1 47 47 VAL HG11 H 1 0.824 0.020 . 2 . . . . 47 Val HG11 . 26789 1 481 . 1 1 47 47 VAL HG12 H 1 0.824 0.020 . 2 . . . . 47 Val HG12 . 26789 1 482 . 1 1 47 47 VAL HG13 H 1 0.824 0.020 . 2 . . . . 47 Val HG13 . 26789 1 483 . 1 1 47 47 VAL HG21 H 1 0.820 0.020 . 2 . . . . 47 Val HG21 . 26789 1 484 . 1 1 47 47 VAL HG22 H 1 0.820 0.020 . 2 . . . . 47 Val HG22 . 26789 1 485 . 1 1 47 47 VAL HG23 H 1 0.820 0.020 . 2 . . . . 47 Val HG23 . 26789 1 486 . 1 1 47 47 VAL C C 13 174.383 0.200 . 1 . . . . 47 Val C . 26789 1 487 . 1 1 47 47 VAL CA C 13 61.028 0.200 . 1 . . . . 47 Val CA . 26789 1 488 . 1 1 47 47 VAL CB C 13 34.603 0.200 . 1 . . . . 47 Val CB . 26789 1 489 . 1 1 47 47 VAL CG1 C 13 23.041 0.200 . 2 . . . . 47 Val CG1 . 26789 1 490 . 1 1 47 47 VAL CG2 C 13 20.314 0.200 . 2 . . . . 47 Val CG2 . 26789 1 491 . 1 1 47 47 VAL N N 15 119.577 0.200 . 1 . . . . 47 Val N . 26789 1 492 . 1 1 48 48 ASP H H 1 9.230 0.020 . 1 . . . . 48 Asp H . 26789 1 493 . 1 1 48 48 ASP HA H 1 4.926 0.020 . 1 . . . . 48 Asp HA . 26789 1 494 . 1 1 48 48 ASP HB2 H 1 2.637 0.020 . 2 . . . . 48 Asp HB2 . 26789 1 495 . 1 1 48 48 ASP HB3 H 1 2.758 0.020 . 2 . . . . 48 Asp HB3 . 26789 1 496 . 1 1 48 48 ASP C C 13 175.327 0.200 . 1 . . . . 48 Asp C . 26789 1 497 . 1 1 48 48 ASP CA C 13 55.860 0.200 . 1 . . . . 48 Asp CA . 26789 1 498 . 1 1 48 48 ASP CB C 13 43.568 0.200 . 1 . . . . 48 Asp CB . 26789 1 499 . 1 1 48 48 ASP N N 15 121.546 0.200 . 1 . . . . 48 Asp N . 26789 1 500 . 1 1 49 49 ALA H H 1 7.742 0.020 . 1 . . . . 49 Ala H . 26789 1 501 . 1 1 49 49 ALA HA H 1 4.778 0.020 . 1 . . . . 49 Ala HA . 26789 1 502 . 1 1 49 49 ALA HB1 H 1 1.216 0.020 . 1 . . . . 49 Ala HB1 . 26789 1 503 . 1 1 49 49 ALA HB2 H 1 1.216 0.020 . 1 . . . . 49 Ala HB2 . 26789 1 504 . 1 1 49 49 ALA HB3 H 1 1.216 0.020 . 1 . . . . 49 Ala HB3 . 26789 1 505 . 1 1 49 49 ALA C C 13 174.458 0.200 . 1 . . . . 49 Ala C . 26789 1 506 . 1 1 49 49 ALA CA C 13 51.360 0.200 . 1 . . . . 49 Ala CA . 26789 1 507 . 1 1 49 49 ALA CB C 13 22.773 0.200 . 1 . . . . 49 Ala CB . 26789 1 508 . 1 1 49 49 ALA N N 15 116.389 0.200 . 1 . . . . 49 Ala N . 26789 1 509 . 1 1 50 50 ILE H H 1 8.349 0.020 . 1 . . . . 50 Ile H . 26789 1 510 . 1 1 50 50 ILE HA H 1 4.876 0.020 . 1 . . . . 50 Ile HA . 26789 1 511 . 1 1 50 50 ILE HB H 1 1.498 0.020 . 1 . . . . 50 Ile HB . 26789 1 512 . 1 1 50 50 ILE HG12 H 1 1.238 0.020 . 2 . . . . 50 Ile HG12 . 26789 1 513 . 1 1 50 50 ILE HG13 H 1 0.826 0.020 . 2 . . . . 50 Ile HG13 . 26789 1 514 . 1 1 50 50 ILE HG21 H 1 0.588 0.020 . 1 . . . . 50 Ile HG21 . 26789 1 515 . 1 1 50 50 ILE HG22 H 1 0.588 0.020 . 1 . . . . 50 Ile HG22 . 26789 1 516 . 1 1 50 50 ILE HG23 H 1 0.588 0.020 . 1 . . . . 50 Ile HG23 . 26789 1 517 . 1 1 50 50 ILE HD11 H 1 0.291 0.020 . 1 . . . . 50 Ile HD11 . 26789 1 518 . 1 1 50 50 ILE HD12 H 1 0.291 0.020 . 1 . . . . 50 Ile HD12 . 26789 1 519 . 1 1 50 50 ILE HD13 H 1 0.291 0.020 . 1 . . . . 50 Ile HD13 . 26789 1 520 . 1 1 50 50 ILE C C 13 173.442 0.200 . 1 . . . . 50 Ile C . 26789 1 521 . 1 1 50 50 ILE CA C 13 60.149 0.200 . 1 . . . . 50 Ile CA . 26789 1 522 . 1 1 50 50 ILE CB C 13 42.345 0.200 . 1 . . . . 50 Ile CB . 26789 1 523 . 1 1 50 50 ILE CG1 C 13 28.810 0.200 . 1 . . . . 50 Ile CG1 . 26789 1 524 . 1 1 50 50 ILE CG2 C 13 18.009 0.200 . 1 . . . . 50 Ile CG2 . 26789 1 525 . 1 1 50 50 ILE CD1 C 13 14.858 0.200 . 1 . . . . 50 Ile CD1 . 26789 1 526 . 1 1 50 50 ILE N N 15 119.824 0.200 . 1 . . . . 50 Ile N . 26789 1 527 . 1 1 51 51 ILE H H 1 9.256 0.020 . 1 . . . . 51 Ile H . 26789 1 528 . 1 1 51 51 ILE HA H 1 4.947 0.020 . 1 . . . . 51 Ile HA . 26789 1 529 . 1 1 51 51 ILE HB H 1 1.431 0.020 . 1 . . . . 51 Ile HB . 26789 1 530 . 1 1 51 51 ILE HG12 H 1 1.299 0.020 . 2 . . . . 51 Ile HG12 . 26789 1 531 . 1 1 51 51 ILE HG13 H 1 0.647 0.020 . 2 . . . . 51 Ile HG13 . 26789 1 532 . 1 1 51 51 ILE HG21 H 1 0.626 0.020 . 1 . . . . 51 Ile HG21 . 26789 1 533 . 1 1 51 51 ILE HG22 H 1 0.626 0.020 . 1 . . . . 51 Ile HG22 . 26789 1 534 . 1 1 51 51 ILE HG23 H 1 0.626 0.020 . 1 . . . . 51 Ile HG23 . 26789 1 535 . 1 1 51 51 ILE HD11 H 1 0.514 0.020 . 1 . . . . 51 Ile HD11 . 26789 1 536 . 1 1 51 51 ILE HD12 H 1 0.514 0.020 . 1 . . . . 51 Ile HD12 . 26789 1 537 . 1 1 51 51 ILE HD13 H 1 0.514 0.020 . 1 . . . . 51 Ile HD13 . 26789 1 538 . 1 1 51 51 ILE C C 13 173.988 0.200 . 1 . . . . 51 Ile C . 26789 1 539 . 1 1 51 51 ILE CA C 13 59.517 0.200 . 1 . . . . 51 Ile CA . 26789 1 540 . 1 1 51 51 ILE CB C 13 40.673 0.200 . 1 . . . . 51 Ile CB . 26789 1 541 . 1 1 51 51 ILE CG1 C 13 27.277 0.200 . 1 . . . . 51 Ile CG1 . 26789 1 542 . 1 1 51 51 ILE CG2 C 13 17.134 0.200 . 1 . . . . 51 Ile CG2 . 26789 1 543 . 1 1 51 51 ILE CD1 C 13 15.129 0.200 . 1 . . . . 51 Ile CD1 . 26789 1 544 . 1 1 51 51 ILE N N 15 127.564 0.200 . 1 . . . . 51 Ile N . 26789 1 545 . 1 1 52 52 THR H H 1 8.800 0.020 . 1 . . . . 52 Thr H . 26789 1 546 . 1 1 52 52 THR HA H 1 5.587 0.020 . 1 . . . . 52 Thr HA . 26789 1 547 . 1 1 52 52 THR HB H 1 3.474 0.020 . 1 . . . . 52 Thr HB . 26789 1 548 . 1 1 52 52 THR HG21 H 1 0.673 0.020 . 1 . . . . 52 Thr HG21 . 26789 1 549 . 1 1 52 52 THR HG22 H 1 0.673 0.020 . 1 . . . . 52 Thr HG22 . 26789 1 550 . 1 1 52 52 THR HG23 H 1 0.673 0.020 . 1 . . . . 52 Thr HG23 . 26789 1 551 . 1 1 52 52 THR C C 13 171.793 0.200 . 1 . . . . 52 Thr C . 26789 1 552 . 1 1 52 52 THR CA C 13 58.112 0.200 . 1 . . . . 52 Thr CA . 26789 1 553 . 1 1 52 52 THR CB C 13 70.883 0.200 . 1 . . . . 52 Thr CB . 26789 1 554 . 1 1 52 52 THR CG2 C 13 19.524 0.200 . 1 . . . . 52 Thr CG2 . 26789 1 555 . 1 1 52 52 THR N N 15 119.791 0.200 . 1 . . . . 52 Thr N . 26789 1 556 . 1 1 53 53 ASP H H 1 7.731 0.020 . 1 . . . . 53 Asp H . 26789 1 557 . 1 1 53 53 ASP HA H 1 4.919 0.020 . 1 . . . . 53 Asp HA . 26789 1 558 . 1 1 53 53 ASP HB2 H 1 2.559 0.020 . 2 . . . . 53 Asp HB2 . 26789 1 559 . 1 1 53 53 ASP HB3 H 1 2.998 0.020 . 2 . . . . 53 Asp HB3 . 26789 1 560 . 1 1 53 53 ASP CA C 13 54.147 0.200 . 1 . . . . 53 Asp CA . 26789 1 561 . 1 1 53 53 ASP N N 15 126.539 0.200 . 1 . . . . 53 Asp N . 26789 1 562 . 1 1 55 55 ASN HA H 1 5.043 0.020 . 1 . . . . 55 Asn HA . 26789 1 563 . 1 1 55 55 ASN HB2 H 1 2.749 0.020 . 2 . . . . 55 Asn HB2 . 26789 1 564 . 1 1 55 55 ASN HB3 H 1 2.917 0.020 . 2 . . . . 55 Asn HB3 . 26789 1 565 . 1 1 55 55 ASN CA C 13 53.169 0.200 . 1 . . . . 55 Asn CA . 26789 1 566 . 1 1 55 55 ASN CB C 13 38.980 0.200 . 1 . . . . 55 Asn CB . 26789 1 567 . 1 1 57 57 PRO HA H 1 4.359 0.020 . 1 . . . . 57 Pro HA . 26789 1 568 . 1 1 57 57 PRO HB2 H 1 1.916 0.020 . 2 . . . . 57 Pro HB2 . 26789 1 569 . 1 1 57 57 PRO HB3 H 1 2.293 0.020 . 2 . . . . 57 Pro HB3 . 26789 1 570 . 1 1 57 57 PRO C C 13 177.284 0.200 . 1 . . . . 57 Pro C . 26789 1 571 . 1 1 57 57 PRO CA C 13 62.925 0.200 . 1 . . . . 57 Pro CA . 26789 1 572 . 1 1 57 57 PRO CB C 13 32.626 0.200 . 1 . . . . 57 Pro CB . 26789 1 573 . 1 1 58 58 ASN H H 1 8.727 0.020 . 1 . . . . 58 Asn H . 26789 1 574 . 1 1 58 58 ASN N N 15 114.331 0.200 . 1 . . . . 58 Asn N . 26789 1 575 . 1 1 59 59 LEU HA H 1 4.416 0.020 . 1 . . . . 59 Leu HA . 26789 1 576 . 1 1 59 59 LEU HB2 H 1 1.575 0.020 . 2 . . . . 59 Leu HB2 . 26789 1 577 . 1 1 59 59 LEU HB3 H 1 1.337 0.020 . 2 . . . . 59 Leu HB3 . 26789 1 578 . 1 1 59 59 LEU HD11 H 1 0.754 0.020 . 2 . . . . 59 Leu HD11 . 26789 1 579 . 1 1 59 59 LEU HD12 H 1 0.754 0.020 . 2 . . . . 59 Leu HD12 . 26789 1 580 . 1 1 59 59 LEU HD13 H 1 0.754 0.020 . 2 . . . . 59 Leu HD13 . 26789 1 581 . 1 1 59 59 LEU HD21 H 1 0.927 0.020 . 2 . . . . 59 Leu HD21 . 26789 1 582 . 1 1 59 59 LEU HD22 H 1 0.927 0.020 . 2 . . . . 59 Leu HD22 . 26789 1 583 . 1 1 59 59 LEU HD23 H 1 0.927 0.020 . 2 . . . . 59 Leu HD23 . 26789 1 584 . 1 1 59 59 LEU CA C 13 55.826 0.200 . 1 . . . . 59 Leu CA . 26789 1 585 . 1 1 59 59 LEU CB C 13 43.664 0.200 . 1 . . . . 59 Leu CB . 26789 1 586 . 1 1 59 59 LEU CD1 C 13 23.629 0.200 . 2 . . . . 59 Leu CD1 . 26789 1 587 . 1 1 59 59 LEU CD2 C 13 25.720 0.200 . 2 . . . . 59 Leu CD2 . 26789 1 588 . 1 1 60 60 ASP HA H 1 4.567 0.020 . 1 . . . . 60 Asp HA . 26789 1 589 . 1 1 60 60 ASP HB2 H 1 2.923 0.020 . 2 . . . . 60 Asp HB2 . 26789 1 590 . 1 1 60 60 ASP HB3 H 1 3.540 0.020 . 2 . . . . 60 Asp HB3 . 26789 1 591 . 1 1 60 60 ASP C C 13 175.257 0.200 . 1 . . . . 60 Asp C . 26789 1 592 . 1 1 60 60 ASP CA C 13 53.171 0.200 . 1 . . . . 60 Asp CA . 26789 1 593 . 1 1 60 60 ASP CB C 13 40.590 0.200 . 1 . . . . 60 Asp CB . 26789 1 594 . 1 1 61 61 GLY H H 1 8.594 0.020 . 1 . . . . 61 Gly H . 26789 1 595 . 1 1 61 61 GLY CA C 13 48.783 0.200 . 1 . . . . 61 Gly CA . 26789 1 596 . 1 1 61 61 GLY N N 15 107.046 0.200 . 1 . . . . 61 Gly N . 26789 1 597 . 1 1 62 62 LEU HA H 1 4.189 0.020 . 1 . . . . 62 Leu HA . 26789 1 598 . 1 1 62 62 LEU HB2 H 1 1.488 0.020 . 2 . . . . 62 Leu HB2 . 26789 1 599 . 1 1 62 62 LEU HB3 H 1 1.869 0.020 . 2 . . . . 62 Leu HB3 . 26789 1 600 . 1 1 62 62 LEU HG H 1 1.804 0.020 . 1 . . . . 62 Leu HG . 26789 1 601 . 1 1 62 62 LEU HD11 H 1 0.670 0.020 . 2 . . . . 62 Leu HD11 . 26789 1 602 . 1 1 62 62 LEU HD12 H 1 0.670 0.020 . 2 . . . . 62 Leu HD12 . 26789 1 603 . 1 1 62 62 LEU HD13 H 1 0.670 0.020 . 2 . . . . 62 Leu HD13 . 26789 1 604 . 1 1 62 62 LEU HD21 H 1 0.894 0.020 . 2 . . . . 62 Leu HD21 . 26789 1 605 . 1 1 62 62 LEU HD22 H 1 0.894 0.020 . 2 . . . . 62 Leu HD22 . 26789 1 606 . 1 1 62 62 LEU HD23 H 1 0.894 0.020 . 2 . . . . 62 Leu HD23 . 26789 1 607 . 1 1 62 62 LEU C C 13 179.216 0.200 . 1 . . . . 62 Leu C . 26789 1 608 . 1 1 62 62 LEU CA C 13 58.119 0.200 . 1 . . . . 62 Leu CA . 26789 1 609 . 1 1 62 62 LEU CB C 13 41.556 0.200 . 1 . . . . 62 Leu CB . 26789 1 610 . 1 1 62 62 LEU CG C 13 27.139 0.200 . 1 . . . . 62 Leu CG . 26789 1 611 . 1 1 62 62 LEU CD1 C 13 23.463 0.200 . 2 . . . . 62 Leu CD1 . 26789 1 612 . 1 1 62 62 LEU CD2 C 13 25.025 0.200 . 2 . . . . 62 Leu CD2 . 26789 1 613 . 1 1 63 63 GLY H H 1 8.647 0.020 . 1 . . . . 63 Gly H . 26789 1 614 . 1 1 63 63 GLY HA2 H 1 3.775 0.020 . 2 . . . . 63 Gly HA2 . 26789 1 615 . 1 1 63 63 GLY HA3 H 1 3.834 0.020 . 2 . . . . 63 Gly HA3 . 26789 1 616 . 1 1 63 63 GLY CA C 13 47.190 0.200 . 1 . . . . 63 Gly CA . 26789 1 617 . 1 1 63 63 GLY N N 15 109.237 0.200 . 1 . . . . 63 Gly N . 26789 1 618 . 1 1 64 64 PHE HA H 1 4.359 0.020 . 1 . . . . 64 Phe HA . 26789 1 619 . 1 1 64 64 PHE HB2 H 1 3.565 0.020 . 2 . . . . 64 Phe HB2 . 26789 1 620 . 1 1 64 64 PHE HB3 H 1 3.175 0.020 . 2 . . . . 64 Phe HB3 . 26789 1 621 . 1 1 64 64 PHE C C 13 176.295 0.200 . 1 . . . . 64 Phe C . 26789 1 622 . 1 1 64 64 PHE CA C 13 60.005 0.200 . 1 . . . . 64 Phe CA . 26789 1 623 . 1 1 64 64 PHE CB C 13 38.785 0.200 . 1 . . . . 64 Phe CB . 26789 1 624 . 1 1 65 65 ILE H H 1 8.580 0.020 . 1 . . . . 65 Ile H . 26789 1 625 . 1 1 65 65 ILE HA H 1 3.441 0.020 . 1 . . . . 65 Ile HA . 26789 1 626 . 1 1 65 65 ILE HB H 1 2.032 0.020 . 1 . . . . 65 Ile HB . 26789 1 627 . 1 1 65 65 ILE HG12 H 1 1.808 0.020 . 2 . . . . 65 Ile HG12 . 26789 1 628 . 1 1 65 65 ILE HG13 H 1 1.306 0.020 . 2 . . . . 65 Ile HG13 . 26789 1 629 . 1 1 65 65 ILE HG21 H 1 0.938 0.020 . 1 . . . . 65 Ile HG21 . 26789 1 630 . 1 1 65 65 ILE HG22 H 1 0.938 0.020 . 1 . . . . 65 Ile HG22 . 26789 1 631 . 1 1 65 65 ILE HG23 H 1 0.938 0.020 . 1 . . . . 65 Ile HG23 . 26789 1 632 . 1 1 65 65 ILE HD11 H 1 0.549 0.020 . 1 . . . . 65 Ile HD11 . 26789 1 633 . 1 1 65 65 ILE HD12 H 1 0.549 0.020 . 1 . . . . 65 Ile HD12 . 26789 1 634 . 1 1 65 65 ILE HD13 H 1 0.549 0.020 . 1 . . . . 65 Ile HD13 . 26789 1 635 . 1 1 65 65 ILE C C 13 177.640 0.200 . 1 . . . . 65 Ile C . 26789 1 636 . 1 1 65 65 ILE CA C 13 65.155 0.200 . 1 . . . . 65 Ile CA . 26789 1 637 . 1 1 65 65 ILE CB C 13 37.040 0.200 . 1 . . . . 65 Ile CB . 26789 1 638 . 1 1 65 65 ILE CG1 C 13 28.703 0.200 . 1 . . . . 65 Ile CG1 . 26789 1 639 . 1 1 65 65 ILE CG2 C 13 18.121 0.200 . 1 . . . . 65 Ile CG2 . 26789 1 640 . 1 1 65 65 ILE CD1 C 13 12.764 0.200 . 1 . . . . 65 Ile CD1 . 26789 1 641 . 1 1 65 65 ILE N N 15 119.812 0.200 . 1 . . . . 65 Ile N . 26789 1 642 . 1 1 66 66 ARG H H 1 8.355 0.020 . 1 . . . . 66 Arg H . 26789 1 643 . 1 1 66 66 ARG HA H 1 3.976 0.020 . 1 . . . . 66 Arg HA . 26789 1 644 . 1 1 66 66 ARG HB2 H 1 1.892 0.020 . 1 . . . . 66 Arg HB2 . 26789 1 645 . 1 1 66 66 ARG HB3 H 1 1.892 0.020 . 1 . . . . 66 Arg HB3 . 26789 1 646 . 1 1 66 66 ARG C C 13 178.935 0.200 . 1 . . . . 66 Arg C . 26789 1 647 . 1 1 66 66 ARG CA C 13 60.008 0.200 . 1 . . . . 66 Arg CA . 26789 1 648 . 1 1 66 66 ARG CB C 13 30.254 0.200 . 1 . . . . 66 Arg CB . 26789 1 649 . 1 1 66 66 ARG N N 15 118.745 0.200 . 1 . . . . 66 Arg N . 26789 1 650 . 1 1 67 67 ALA H H 1 7.923 0.020 . 1 . . . . 67 Ala H . 26789 1 651 . 1 1 67 67 ALA HA H 1 4.213 0.020 . 1 . . . . 67 Ala HA . 26789 1 652 . 1 1 67 67 ALA HB1 H 1 1.568 0.020 . 1 . . . . 67 Ala HB1 . 26789 1 653 . 1 1 67 67 ALA HB2 H 1 1.568 0.020 . 1 . . . . 67 Ala HB2 . 26789 1 654 . 1 1 67 67 ALA HB3 H 1 1.568 0.020 . 1 . . . . 67 Ala HB3 . 26789 1 655 . 1 1 67 67 ALA C C 13 180.964 0.200 . 1 . . . . 67 Ala C . 26789 1 656 . 1 1 67 67 ALA CA C 13 54.691 0.200 . 1 . . . . 67 Ala CA . 26789 1 657 . 1 1 67 67 ALA CB C 13 19.015 0.200 . 1 . . . . 67 Ala CB . 26789 1 658 . 1 1 67 67 ALA N N 15 120.248 0.200 . 1 . . . . 67 Ala N . 26789 1 659 . 1 1 68 68 PHE H H 1 9.050 0.020 . 1 . . . . 68 Phe H . 26789 1 660 . 1 1 68 68 PHE HA H 1 4.262 0.020 . 1 . . . . 68 Phe HA . 26789 1 661 . 1 1 68 68 PHE HB2 H 1 2.894 0.020 . 1 . . . . 68 Phe HB2 . 26789 1 662 . 1 1 68 68 PHE HB3 H 1 2.894 0.020 . 1 . . . . 68 Phe HB3 . 26789 1 663 . 1 1 68 68 PHE C C 13 177.563 0.200 . 1 . . . . 68 Phe C . 26789 1 664 . 1 1 68 68 PHE CA C 13 60.293 0.200 . 1 . . . . 68 Phe CA . 26789 1 665 . 1 1 68 68 PHE CB C 13 39.842 0.200 . 1 . . . . 68 Phe CB . 26789 1 666 . 1 1 68 68 PHE N N 15 120.274 0.200 . 1 . . . . 68 Phe N . 26789 1 667 . 1 1 69 69 ARG H H 1 8.316 0.020 . 1 . . . . 69 Arg H . 26789 1 668 . 1 1 69 69 ARG HA H 1 4.199 0.020 . 1 . . . . 69 Arg HA . 26789 1 669 . 1 1 69 69 ARG C C 13 176.805 0.200 . 1 . . . . 69 Arg C . 26789 1 670 . 1 1 69 69 ARG CA C 13 57.502 0.200 . 1 . . . . 69 Arg CA . 26789 1 671 . 1 1 69 69 ARG CB C 13 29.346 0.200 . 1 . . . . 69 Arg CB . 26789 1 672 . 1 1 69 69 ARG N N 15 115.227 0.200 . 1 . . . . 69 Arg N . 26789 1 673 . 1 1 70 70 GLU H H 1 7.225 0.020 . 1 . . . . 70 Glu H . 26789 1 674 . 1 1 70 70 GLU HA H 1 4.094 0.020 . 1 . . . . 70 Glu HA . 26789 1 675 . 1 1 70 70 GLU HB2 H 1 2.002 0.020 . 2 . . . . 70 Glu HB2 . 26789 1 676 . 1 1 70 70 GLU HB3 H 1 1.921 0.020 . 2 . . . . 70 Glu HB3 . 26789 1 677 . 1 1 70 70 GLU HG2 H 1 2.235 0.020 . 2 . . . . 70 Glu HG2 . 26789 1 678 . 1 1 70 70 GLU HG3 H 1 2.529 0.020 . 2 . . . . 70 Glu HG3 . 26789 1 679 . 1 1 70 70 GLU C C 13 176.760 0.200 . 1 . . . . 70 Glu C . 26789 1 680 . 1 1 70 70 GLU CA C 13 57.221 0.200 . 1 . . . . 70 Glu CA . 26789 1 681 . 1 1 70 70 GLU CB C 13 29.868 0.200 . 1 . . . . 70 Glu CB . 26789 1 682 . 1 1 70 70 GLU CG C 13 36.317 0.200 . 1 . . . . 70 Glu CG . 26789 1 683 . 1 1 70 70 GLU N N 15 116.923 0.200 . 1 . . . . 70 Glu N . 26789 1 684 . 1 1 71 71 HIS H H 1 7.958 0.020 . 1 . . . . 71 His H . 26789 1 685 . 1 1 71 71 HIS HA H 1 4.735 0.020 . 1 . . . . 71 His HA . 26789 1 686 . 1 1 71 71 HIS HB2 H 1 3.375 0.020 . 2 . . . . 71 His HB2 . 26789 1 687 . 1 1 71 71 HIS HB3 H 1 3.053 0.020 . 2 . . . . 71 His HB3 . 26789 1 688 . 1 1 71 71 HIS CA C 13 54.312 0.200 . 1 . . . . 71 His CA . 26789 1 689 . 1 1 71 71 HIS CB C 13 30.113 0.200 . 1 . . . . 71 His CB . 26789 1 690 . 1 1 71 71 HIS N N 15 120.275 0.200 . 1 . . . . 71 His N . 26789 1 691 . 1 1 72 72 PRO HA H 1 4.294 0.020 . 1 . . . . 72 Pro HA . 26789 1 692 . 1 1 72 72 PRO HB2 H 1 2.333 0.020 . 2 . . . . 72 Pro HB2 . 26789 1 693 . 1 1 72 72 PRO HB3 H 1 1.971 0.020 . 2 . . . . 72 Pro HB3 . 26789 1 694 . 1 1 72 72 PRO HG2 H 1 2.076 0.020 . 1 . . . . 72 Pro HG2 . 26789 1 695 . 1 1 72 72 PRO HG3 H 1 2.076 0.020 . 1 . . . . 72 Pro HG3 . 26789 1 696 . 1 1 72 72 PRO C C 13 178.466 0.200 . 1 . . . . 72 Pro C . 26789 1 697 . 1 1 72 72 PRO CA C 13 65.079 0.200 . 1 . . . . 72 Pro CA . 26789 1 698 . 1 1 72 72 PRO CB C 13 31.761 0.200 . 1 . . . . 72 Pro CB . 26789 1 699 . 1 1 72 72 PRO CG C 13 27.483 0.200 . 1 . . . . 72 Pro CG . 26789 1 700 . 1 1 72 72 PRO N N 15 141.242 0.200 . 1 . . . . 72 Pro N . 26789 1 701 . 1 1 73 73 GLU H H 1 9.976 0.020 . 1 . . . . 73 Glu H . 26789 1 702 . 1 1 73 73 GLU HA H 1 4.161 0.020 . 1 . . . . 73 Glu HA . 26789 1 703 . 1 1 73 73 GLU C C 13 176.573 0.200 . 1 . . . . 73 Glu C . 26789 1 704 . 1 1 73 73 GLU CA C 13 58.983 0.200 . 1 . . . . 73 Glu CA . 26789 1 705 . 1 1 73 73 GLU N N 15 119.546 0.200 . 1 . . . . 73 Glu N . 26789 1 706 . 1 1 74 74 SER H H 1 7.659 0.020 . 1 . . . . 74 Ser H . 26789 1 707 . 1 1 74 74 SER HA H 1 3.732 0.020 . 1 . . . . 74 Ser HA . 26789 1 708 . 1 1 74 74 SER HB2 H 1 2.493 0.020 . 2 . . . . 74 Ser HB2 . 26789 1 709 . 1 1 74 74 SER HB3 H 1 3.040 0.020 . 2 . . . . 74 Ser HB3 . 26789 1 710 . 1 1 74 74 SER C C 13 175.928 0.200 . 1 . . . . 74 Ser C . 26789 1 711 . 1 1 74 74 SER CA C 13 59.290 0.200 . 1 . . . . 74 Ser CA . 26789 1 712 . 1 1 74 74 SER CB C 13 63.716 0.200 . 1 . . . . 74 Ser CB . 26789 1 713 . 1 1 74 74 SER N N 15 112.679 0.200 . 1 . . . . 74 Ser N . 26789 1 714 . 1 1 75 75 LYS H H 1 7.374 0.020 . 1 . . . . 75 Lys H . 26789 1 715 . 1 1 75 75 LYS HA H 1 3.977 0.020 . 1 . . . . 75 Lys HA . 26789 1 716 . 1 1 75 75 LYS HB2 H 1 1.829 0.020 . 1 . . . . 75 Lys HB2 . 26789 1 717 . 1 1 75 75 LYS HB3 H 1 1.829 0.020 . 1 . . . . 75 Lys HB3 . 26789 1 718 . 1 1 75 75 LYS CA C 13 58.340 0.200 . 1 . . . . 75 Lys CA . 26789 1 719 . 1 1 75 75 LYS CB C 13 31.892 0.200 . 1 . . . . 75 Lys CB . 26789 1 720 . 1 1 75 75 LYS N N 15 123.855 0.200 . 1 . . . . 75 Lys N . 26789 1 721 . 1 1 76 76 GLY HA2 H 1 3.828 0.020 . 2 . . . . 76 Gly HA2 . 26789 1 722 . 1 1 76 76 GLY HA3 H 1 4.080 0.020 . 2 . . . . 76 Gly HA3 . 26789 1 723 . 1 1 76 76 GLY C C 13 174.494 0.200 . 1 . . . . 76 Gly C . 26789 1 724 . 1 1 76 76 GLY CA C 13 45.609 0.200 . 1 . . . . 76 Gly CA . 26789 1 725 . 1 1 76 76 GLY N N 15 112.870 0.200 . 1 . . . . 76 Gly N . 26789 1 726 . 1 1 77 77 LYS H H 1 7.487 0.020 . 1 . . . . 77 Lys H . 26789 1 727 . 1 1 77 77 LYS C C 13 174.131 0.200 . 1 . . . . 77 Lys C . 26789 1 728 . 1 1 77 77 LYS CA C 13 53.205 0.200 . 1 . . . . 77 Lys CA . 26789 1 729 . 1 1 77 77 LYS N N 15 120.665 0.200 . 1 . . . . 77 Lys N . 26789 1 730 . 1 1 78 78 PRO HA H 1 4.494 0.020 . 1 . . . . 78 Pro HA . 26789 1 731 . 1 1 78 78 PRO HB2 H 1 2.292 0.020 . 2 . . . . 78 Pro HB2 . 26789 1 732 . 1 1 78 78 PRO HB3 H 1 1.627 0.020 . 2 . . . . 78 Pro HB3 . 26789 1 733 . 1 1 78 78 PRO HG2 H 1 2.095 0.020 . 2 . . . . 78 Pro HG2 . 26789 1 734 . 1 1 78 78 PRO HG3 H 1 2.032 0.020 . 2 . . . . 78 Pro HG3 . 26789 1 735 . 1 1 78 78 PRO C C 13 175.156 0.200 . 1 . . . . 78 Pro C . 26789 1 736 . 1 1 78 78 PRO CA C 13 63.156 0.200 . 1 . . . . 78 Pro CA . 26789 1 737 . 1 1 78 78 PRO CB C 13 33.448 0.200 . 1 . . . . 78 Pro CB . 26789 1 738 . 1 1 78 78 PRO CG C 13 27.651 0.200 . 1 . . . . 78 Pro CG . 26789 1 739 . 1 1 79 79 ILE H H 1 8.250 0.020 . 1 . . . . 79 Ile H . 26789 1 740 . 1 1 79 79 ILE HA H 1 4.992 0.020 . 1 . . . . 79 Ile HA . 26789 1 741 . 1 1 79 79 ILE HB H 1 1.598 0.020 . 1 . . . . 79 Ile HB . 26789 1 742 . 1 1 79 79 ILE HG12 H 1 1.786 0.020 . 1 . . . . 79 Ile HG12 . 26789 1 743 . 1 1 79 79 ILE HG21 H 1 0.673 0.020 . 1 . . . . 79 Ile HG21 . 26789 1 744 . 1 1 79 79 ILE HG22 H 1 0.673 0.020 . 1 . . . . 79 Ile HG22 . 26789 1 745 . 1 1 79 79 ILE HG23 H 1 0.673 0.020 . 1 . . . . 79 Ile HG23 . 26789 1 746 . 1 1 79 79 ILE HD11 H 1 0.939 0.020 . 1 . . . . 79 Ile HD11 . 26789 1 747 . 1 1 79 79 ILE HD12 H 1 0.939 0.020 . 1 . . . . 79 Ile HD12 . 26789 1 748 . 1 1 79 79 ILE HD13 H 1 0.939 0.020 . 1 . . . . 79 Ile HD13 . 26789 1 749 . 1 1 79 79 ILE C C 13 175.268 0.200 . 1 . . . . 79 Ile C . 26789 1 750 . 1 1 79 79 ILE CA C 13 59.438 0.200 . 1 . . . . 79 Ile CA . 26789 1 751 . 1 1 79 79 ILE CB C 13 41.337 0.200 . 1 . . . . 79 Ile CB . 26789 1 752 . 1 1 79 79 ILE CG1 C 13 28.042 0.200 . 1 . . . . 79 Ile CG1 . 26789 1 753 . 1 1 79 79 ILE CG2 C 13 17.954 0.200 . 1 . . . . 79 Ile CG2 . 26789 1 754 . 1 1 79 79 ILE CD1 C 13 14.780 0.200 . 1 . . . . 79 Ile CD1 . 26789 1 755 . 1 1 79 79 ILE N N 15 121.236 0.200 . 1 . . . . 79 Ile N . 26789 1 756 . 1 1 80 80 ILE H H 1 9.313 0.020 . 1 . . . . 80 Ile H . 26789 1 757 . 1 1 80 80 ILE HA H 1 4.293 0.020 . 1 . . . . 80 Ile HA . 26789 1 758 . 1 1 80 80 ILE HB H 1 1.600 0.020 . 1 . . . . 80 Ile HB . 26789 1 759 . 1 1 80 80 ILE HG12 H 1 1.288 0.020 . 2 . . . . 80 Ile HG12 . 26789 1 760 . 1 1 80 80 ILE HG13 H 1 0.688 0.020 . 2 . . . . 80 Ile HG13 . 26789 1 761 . 1 1 80 80 ILE HG21 H 1 0.449 0.020 . 1 . . . . 80 Ile HG21 . 26789 1 762 . 1 1 80 80 ILE HG22 H 1 0.449 0.020 . 1 . . . . 80 Ile HG22 . 26789 1 763 . 1 1 80 80 ILE HG23 H 1 0.449 0.020 . 1 . . . . 80 Ile HG23 . 26789 1 764 . 1 1 80 80 ILE HD11 H 1 0.542 0.020 . 1 . . . . 80 Ile HD11 . 26789 1 765 . 1 1 80 80 ILE HD12 H 1 0.542 0.020 . 1 . . . . 80 Ile HD12 . 26789 1 766 . 1 1 80 80 ILE HD13 H 1 0.542 0.020 . 1 . . . . 80 Ile HD13 . 26789 1 767 . 1 1 80 80 ILE C C 13 173.455 0.200 . 1 . . . . 80 Ile C . 26789 1 768 . 1 1 80 80 ILE CA C 13 59.398 0.200 . 1 . . . . 80 Ile CA . 26789 1 769 . 1 1 80 80 ILE CB C 13 40.020 0.200 . 1 . . . . 80 Ile CB . 26789 1 770 . 1 1 80 80 ILE CG1 C 13 28.249 0.200 . 1 . . . . 80 Ile CG1 . 26789 1 771 . 1 1 80 80 ILE CG2 C 13 17.376 0.200 . 1 . . . . 80 Ile CG2 . 26789 1 772 . 1 1 80 80 ILE CD1 C 13 13.989 0.200 . 1 . . . . 80 Ile CD1 . 26789 1 773 . 1 1 80 80 ILE N N 15 128.015 0.200 . 1 . . . . 80 Ile N . 26789 1 774 . 1 1 81 81 PHE H H 1 8.257 0.020 . 1 . . . . 81 Phe H . 26789 1 775 . 1 1 81 81 PHE HA H 1 5.271 0.020 . 1 . . . . 81 Phe HA . 26789 1 776 . 1 1 81 81 PHE HB2 H 1 2.816 0.020 . 2 . . . . 81 Phe HB2 . 26789 1 777 . 1 1 81 81 PHE HB3 H 1 3.063 0.020 . 2 . . . . 81 Phe HB3 . 26789 1 778 . 1 1 81 81 PHE CA C 13 55.865 0.200 . 1 . . . . 81 Phe CA . 26789 1 779 . 1 1 81 81 PHE CB C 13 42.725 0.200 . 1 . . . . 81 Phe CB . 26789 1 780 . 1 1 81 81 PHE N N 15 128.571 0.200 . 1 . . . . 81 Phe N . 26789 1 781 . 1 1 82 82 LEU HA H 1 5.149 0.020 . 1 . . . . 82 Leu HA . 26789 1 782 . 1 1 82 82 LEU HB2 H 1 1.726 0.020 . 2 . . . . 82 Leu HB2 . 26789 1 783 . 1 1 82 82 LEU HB3 H 1 1.139 0.020 . 2 . . . . 82 Leu HB3 . 26789 1 784 . 1 1 82 82 LEU HG H 1 1.336 0.020 . 1 . . . . 82 Leu HG . 26789 1 785 . 1 1 82 82 LEU HD11 H 1 0.383 0.020 . 2 . . . . 82 Leu HD11 . 26789 1 786 . 1 1 82 82 LEU HD12 H 1 0.383 0.020 . 2 . . . . 82 Leu HD12 . 26789 1 787 . 1 1 82 82 LEU HD13 H 1 0.383 0.020 . 2 . . . . 82 Leu HD13 . 26789 1 788 . 1 1 82 82 LEU HD21 H 1 0.700 0.020 . 2 . . . . 82 Leu HD21 . 26789 1 789 . 1 1 82 82 LEU HD22 H 1 0.700 0.020 . 2 . . . . 82 Leu HD22 . 26789 1 790 . 1 1 82 82 LEU HD23 H 1 0.700 0.020 . 2 . . . . 82 Leu HD23 . 26789 1 791 . 1 1 82 82 LEU CA C 13 52.211 0.200 . 1 . . . . 82 Leu CA . 26789 1 792 . 1 1 82 82 LEU CB C 13 44.182 0.200 . 1 . . . . 82 Leu CB . 26789 1 793 . 1 1 82 82 LEU CG C 13 26.807 0.200 . 1 . . . . 82 Leu CG . 26789 1 794 . 1 1 82 82 LEU CD1 C 13 24.134 0.200 . 2 . . . . 82 Leu CD1 . 26789 1 795 . 1 1 82 82 LEU CD2 C 13 25.403 0.200 . 2 . . . . 82 Leu CD2 . 26789 1 796 . 1 1 83 83 SER C C 13 175.097 0.200 . 1 . . . . 83 Ser C . 26789 1 797 . 1 1 84 84 THR H H 1 8.846 0.020 . 1 . . . . 84 Thr H . 26789 1 798 . 1 1 84 84 THR HA H 1 4.569 0.020 . 1 . . . . 84 Thr HA . 26789 1 799 . 1 1 84 84 THR HB H 1 4.408 0.020 . 1 . . . . 84 Thr HB . 26789 1 800 . 1 1 84 84 THR HG21 H 1 1.300 0.020 . 1 . . . . 84 Thr HG21 . 26789 1 801 . 1 1 84 84 THR HG22 H 1 1.300 0.020 . 1 . . . . 84 Thr HG22 . 26789 1 802 . 1 1 84 84 THR HG23 H 1 1.300 0.020 . 1 . . . . 84 Thr HG23 . 26789 1 803 . 1 1 84 84 THR C C 13 174.527 0.200 . 1 . . . . 84 Thr C . 26789 1 804 . 1 1 84 84 THR CA C 13 63.017 0.200 . 1 . . . . 84 Thr CA . 26789 1 805 . 1 1 84 84 THR CB C 13 69.332 0.200 . 1 . . . . 84 Thr CB . 26789 1 806 . 1 1 84 84 THR CG2 C 13 22.519 0.200 . 1 . . . . 84 Thr CG2 . 26789 1 807 . 1 1 84 84 THR N N 15 117.797 0.200 . 1 . . . . 84 Thr N . 26789 1 808 . 1 1 85 85 ASP H H 1 8.359 0.020 . 1 . . . . 85 Asp H . 26789 1 809 . 1 1 85 85 ASP HA H 1 4.794 0.020 . 1 . . . . 85 Asp HA . 26789 1 810 . 1 1 85 85 ASP HB2 H 1 2.594 0.020 . 2 . . . . 85 Asp HB2 . 26789 1 811 . 1 1 85 85 ASP HB3 H 1 2.829 0.020 . 2 . . . . 85 Asp HB3 . 26789 1 812 . 1 1 85 85 ASP C C 13 175.361 0.200 . 1 . . . . 85 Asp C . 26789 1 813 . 1 1 85 85 ASP CA C 13 53.815 0.200 . 1 . . . . 85 Asp CA . 26789 1 814 . 1 1 85 85 ASP CB C 13 42.732 0.200 . 1 . . . . 85 Asp CB . 26789 1 815 . 1 1 85 85 ASP N N 15 122.599 0.200 . 1 . . . . 85 Asp N . 26789 1 816 . 1 1 86 86 SER H H 1 8.486 0.020 . 1 . . . . 86 Ser H . 26789 1 817 . 1 1 86 86 SER HA H 1 4.547 0.020 . 1 . . . . 86 Ser HA . 26789 1 818 . 1 1 86 86 SER HB2 H 1 3.949 0.020 . 2 . . . . 86 Ser HB2 . 26789 1 819 . 1 1 86 86 SER HB3 H 1 4.205 0.020 . 2 . . . . 86 Ser HB3 . 26789 1 820 . 1 1 86 86 SER C C 13 174.383 0.200 . 1 . . . . 86 Ser C . 26789 1 821 . 1 1 86 86 SER CA C 13 58.000 0.200 . 1 . . . . 86 Ser CA . 26789 1 822 . 1 1 86 86 SER CB C 13 64.364 0.200 . 1 . . . . 86 Ser CB . 26789 1 823 . 1 1 86 86 SER N N 15 116.449 0.200 . 1 . . . . 86 Ser N . 26789 1 824 . 1 1 87 87 ALA H H 1 8.348 0.020 . 1 . . . . 87 Ala H . 26789 1 825 . 1 1 87 87 ALA HA H 1 4.101 0.020 . 1 . . . . 87 Ala HA . 26789 1 826 . 1 1 87 87 ALA HB1 H 1 1.508 0.020 . 1 . . . . 87 Ala HB1 . 26789 1 827 . 1 1 87 87 ALA HB2 H 1 1.508 0.020 . 1 . . . . 87 Ala HB2 . 26789 1 828 . 1 1 87 87 ALA HB3 H 1 1.508 0.020 . 1 . . . . 87 Ala HB3 . 26789 1 829 . 1 1 87 87 ALA C C 13 178.487 0.200 . 1 . . . . 87 Ala C . 26789 1 830 . 1 1 87 87 ALA CA C 13 53.748 0.200 . 1 . . . . 87 Ala CA . 26789 1 831 . 1 1 87 87 ALA CB C 13 19.188 0.200 . 1 . . . . 87 Ala CB . 26789 1 832 . 1 1 87 87 ALA N N 15 125.670 0.200 . 1 . . . . 87 Ala N . 26789 1 833 . 1 1 88 88 ASP HA H 1 4.212 0.020 . 1 . . . . 88 Asp HA . 26789 1 834 . 1 1 88 88 ASP HB2 H 1 2.592 0.020 . 1 . . . . 88 Asp HB2 . 26789 1 835 . 1 1 88 88 ASP HB3 H 1 2.592 0.020 . 1 . . . . 88 Asp HB3 . 26789 1 836 . 1 1 88 88 ASP C C 13 176.328 0.200 . 1 . . . . 88 Asp C . 26789 1 837 . 1 1 88 88 ASP CA C 13 57.196 0.200 . 1 . . . . 88 Asp CA . 26789 1 838 . 1 1 88 88 ASP CB C 13 40.672 0.200 . 1 . . . . 88 Asp CB . 26789 1 839 . 1 1 89 89 THR HA H 1 3.926 0.020 . 1 . . . . 89 Thr HA . 26789 1 840 . 1 1 89 89 THR HB H 1 4.112 0.020 . 1 . . . . 89 Thr HB . 26789 1 841 . 1 1 89 89 THR HG21 H 1 1.188 0.020 . 1 . . . . 89 Thr HG21 . 26789 1 842 . 1 1 89 89 THR HG22 H 1 1.188 0.020 . 1 . . . . 89 Thr HG22 . 26789 1 843 . 1 1 89 89 THR HG23 H 1 1.188 0.020 . 1 . . . . 89 Thr HG23 . 26789 1 844 . 1 1 89 89 THR CA C 13 65.000 0.200 . 1 . . . . 89 Thr CA . 26789 1 845 . 1 1 89 89 THR CB C 13 68.414 0.200 . 1 . . . . 89 Thr CB . 26789 1 846 . 1 1 89 89 THR CG2 C 13 21.917 0.200 . 1 . . . . 89 Thr CG2 . 26789 1 847 . 1 1 90 90 LEU H H 1 7.455 0.020 . 1 . . . . 90 Leu H . 26789 1 848 . 1 1 90 90 LEU HA H 1 4.164 0.020 . 1 . . . . 90 Leu HA . 26789 1 849 . 1 1 90 90 LEU HB2 H 1 1.747 0.020 . 1 . . . . 90 Leu HB2 . 26789 1 850 . 1 1 90 90 LEU HB3 H 1 1.747 0.020 . 1 . . . . 90 Leu HB3 . 26789 1 851 . 1 1 90 90 LEU HG H 1 1.662 0.020 . 1 . . . . 90 Leu HG . 26789 1 852 . 1 1 90 90 LEU HD11 H 1 1.069 0.020 . 1 . . . . 90 Leu HD11 . 26789 1 853 . 1 1 90 90 LEU HD12 H 1 1.069 0.020 . 1 . . . . 90 Leu HD12 . 26789 1 854 . 1 1 90 90 LEU HD13 H 1 1.069 0.020 . 1 . . . . 90 Leu HD13 . 26789 1 855 . 1 1 90 90 LEU HD21 H 1 1.069 0.020 . 1 . . . . 90 Leu HD21 . 26789 1 856 . 1 1 90 90 LEU HD22 H 1 1.069 0.020 . 1 . . . . 90 Leu HD22 . 26789 1 857 . 1 1 90 90 LEU HD23 H 1 1.069 0.020 . 1 . . . . 90 Leu HD23 . 26789 1 858 . 1 1 90 90 LEU C C 13 177.907 0.200 . 1 . . . . 90 Leu C . 26789 1 859 . 1 1 90 90 LEU CA C 13 57.338 0.200 . 1 . . . . 90 Leu CA . 26789 1 860 . 1 1 90 90 LEU CB C 13 41.269 0.200 . 1 . . . . 90 Leu CB . 26789 1 861 . 1 1 90 90 LEU CG C 13 27.480 0.200 . 1 . . . . 90 Leu CG . 26789 1 862 . 1 1 90 90 LEU CD1 C 13 24.603 0.200 . 1 . . . . 90 Leu CD1 . 26789 1 863 . 1 1 90 90 LEU CD2 C 13 24.603 0.200 . 1 . . . . 90 Leu CD2 . 26789 1 864 . 1 1 90 90 LEU N N 15 123.875 0.200 . 1 . . . . 90 Leu N . 26789 1 865 . 1 1 91 91 LYS H H 1 7.304 0.020 . 1 . . . . 91 Lys H . 26789 1 866 . 1 1 91 91 LYS HA H 1 2.589 0.020 . 1 . . . . 91 Lys HA . 26789 1 867 . 1 1 91 91 LYS HB2 H 1 0.748 0.020 . 2 . . . . 91 Lys HB2 . 26789 1 868 . 1 1 91 91 LYS HB3 H 1 1.294 0.020 . 2 . . . . 91 Lys HB3 . 26789 1 869 . 1 1 91 91 LYS C C 13 178.858 0.200 . 1 . . . . 91 Lys C . 26789 1 870 . 1 1 91 91 LYS CA C 13 59.372 0.200 . 1 . . . . 91 Lys CA . 26789 1 871 . 1 1 91 91 LYS CB C 13 31.910 0.200 . 1 . . . . 91 Lys CB . 26789 1 872 . 1 1 91 91 LYS N N 15 120.689 0.200 . 1 . . . . 91 Lys N . 26789 1 873 . 1 1 92 92 GLN H H 1 7.691 0.020 . 1 . . . . 92 Gln H . 26789 1 874 . 1 1 92 92 GLN HA H 1 3.873 0.020 . 1 . . . . 92 Gln HA . 26789 1 875 . 1 1 92 92 GLN HB2 H 1 2.030 0.020 . 2 . . . . 92 Gln HB2 . 26789 1 876 . 1 1 92 92 GLN HB3 H 1 2.034 0.020 . 2 . . . . 92 Gln HB3 . 26789 1 877 . 1 1 92 92 GLN HG2 H 1 2.312 0.020 . 1 . . . . 92 Gln HG2 . 26789 1 878 . 1 1 92 92 GLN HG3 H 1 2.312 0.020 . 1 . . . . 92 Gln HG3 . 26789 1 879 . 1 1 92 92 GLN HE21 H 1 7.696 0.020 . 1 . . . . 92 Gln HE21 . 26789 1 880 . 1 1 92 92 GLN HE22 H 1 6.762 0.020 . 1 . . . . 92 Gln HE22 . 26789 1 881 . 1 1 92 92 GLN C C 13 178.300 0.200 . 1 . . . . 92 Gln C . 26789 1 882 . 1 1 92 92 GLN CA C 13 58.417 0.200 . 1 . . . . 92 Gln CA . 26789 1 883 . 1 1 92 92 GLN CB C 13 27.745 0.200 . 1 . . . . 92 Gln CB . 26789 1 884 . 1 1 92 92 GLN CG C 13 32.939 0.200 . 1 . . . . 92 Gln CG . 26789 1 885 . 1 1 92 92 GLN N N 15 118.082 0.200 . 1 . . . . 92 Gln N . 26789 1 886 . 1 1 92 92 GLN NE2 N 15 112.670 0.200 . 1 . . . . 92 Gln NE2 . 26789 1 887 . 1 1 93 93 GLN H H 1 7.973 0.020 . 1 . . . . 93 Gln H . 26789 1 888 . 1 1 93 93 GLN HA H 1 3.937 0.020 . 1 . . . . 93 Gln HA . 26789 1 889 . 1 1 93 93 GLN HB2 H 1 2.160 0.020 . 2 . . . . 93 Gln HB2 . 26789 1 890 . 1 1 93 93 GLN HB3 H 1 1.952 0.020 . 2 . . . . 93 Gln HB3 . 26789 1 891 . 1 1 93 93 GLN HG2 H 1 2.275 0.020 . 2 . . . . 93 Gln HG2 . 26789 1 892 . 1 1 93 93 GLN HG3 H 1 2.548 0.020 . 2 . . . . 93 Gln HG3 . 26789 1 893 . 1 1 93 93 GLN HE21 H 1 7.265 0.020 . 1 . . . . 93 Gln HE21 . 26789 1 894 . 1 1 93 93 GLN HE22 H 1 6.773 0.020 . 1 . . . . 93 Gln HE22 . 26789 1 895 . 1 1 93 93 GLN C C 13 178.987 0.200 . 1 . . . . 93 Gln C . 26789 1 896 . 1 1 93 93 GLN CA C 13 58.945 0.200 . 1 . . . . 93 Gln CA . 26789 1 897 . 1 1 93 93 GLN CB C 13 29.246 0.200 . 1 . . . . 93 Gln CB . 26789 1 898 . 1 1 93 93 GLN CG C 13 34.549 0.200 . 1 . . . . 93 Gln CG . 26789 1 899 . 1 1 93 93 GLN N N 15 119.757 0.200 . 1 . . . . 93 Gln N . 26789 1 900 . 1 1 93 93 GLN NE2 N 15 110.868 0.200 . 1 . . . . 93 Gln NE2 . 26789 1 901 . 1 1 94 94 ALA H H 1 8.455 0.020 . 1 . . . . 94 Ala H . 26789 1 902 . 1 1 94 94 ALA HA H 1 3.653 0.020 . 1 . . . . 94 Ala HA . 26789 1 903 . 1 1 94 94 ALA HB1 H 1 1.076 0.020 . 1 . . . . 94 Ala HB1 . 26789 1 904 . 1 1 94 94 ALA HB2 H 1 1.076 0.020 . 1 . . . . 94 Ala HB2 . 26789 1 905 . 1 1 94 94 ALA HB3 H 1 1.076 0.020 . 1 . . . . 94 Ala HB3 . 26789 1 906 . 1 1 94 94 ALA C C 13 178.887 0.200 . 1 . . . . 94 Ala C . 26789 1 907 . 1 1 94 94 ALA CA C 13 55.157 0.200 . 1 . . . . 94 Ala CA . 26789 1 908 . 1 1 94 94 ALA CB C 13 17.666 0.200 . 1 . . . . 94 Ala CB . 26789 1 909 . 1 1 94 94 ALA N N 15 122.164 0.200 . 1 . . . . 94 Ala N . 26789 1 910 . 1 1 95 95 ARG H H 1 7.735 0.020 . 1 . . . . 95 Arg H . 26789 1 911 . 1 1 95 95 ARG HA H 1 4.162 0.020 . 1 . . . . 95 Arg HA . 26789 1 912 . 1 1 95 95 ARG HB2 H 1 1.865 0.020 . 2 . . . . 95 Arg HB2 . 26789 1 913 . 1 1 95 95 ARG HB3 H 1 1.875 0.020 . 2 . . . . 95 Arg HB3 . 26789 1 914 . 1 1 95 95 ARG C C 13 180.670 0.200 . 1 . . . . 95 Arg C . 26789 1 915 . 1 1 95 95 ARG CA C 13 59.003 0.200 . 1 . . . . 95 Arg CA . 26789 1 916 . 1 1 95 95 ARG CB C 13 29.648 0.200 . 1 . . . . 95 Arg CB . 26789 1 917 . 1 1 95 95 ARG N N 15 119.111 0.200 . 1 . . . . 95 Arg N . 26789 1 918 . 1 1 96 96 GLU H H 1 8.359 0.020 . 1 . . . . 96 Glu H . 26789 1 919 . 1 1 96 96 GLU HA H 1 3.941 0.020 . 1 . . . . 96 Glu HA . 26789 1 920 . 1 1 96 96 GLU HB2 H 1 2.030 0.020 . 2 . . . . 96 Glu HB2 . 26789 1 921 . 1 1 96 96 GLU HB3 H 1 2.023 0.020 . 2 . . . . 96 Glu HB3 . 26789 1 922 . 1 1 96 96 GLU C C 13 177.987 0.200 . 1 . . . . 96 Glu C . 26789 1 923 . 1 1 96 96 GLU CA C 13 59.005 0.200 . 1 . . . . 96 Glu CA . 26789 1 924 . 1 1 96 96 GLU CB C 13 29.308 0.200 . 1 . . . . 96 Glu CB . 26789 1 925 . 1 1 96 96 GLU N N 15 121.154 0.200 . 1 . . . . 96 Glu N . 26789 1 926 . 1 1 97 97 ALA H H 1 7.783 0.020 . 1 . . . . 97 Ala H . 26789 1 927 . 1 1 97 97 ALA HA H 1 4.228 0.020 . 1 . . . . 97 Ala HA . 26789 1 928 . 1 1 97 97 ALA HB1 H 1 1.434 0.020 . 1 . . . . 97 Ala HB1 . 26789 1 929 . 1 1 97 97 ALA HB2 H 1 1.434 0.020 . 1 . . . . 97 Ala HB2 . 26789 1 930 . 1 1 97 97 ALA HB3 H 1 1.434 0.020 . 1 . . . . 97 Ala HB3 . 26789 1 931 . 1 1 97 97 ALA C C 13 176.928 0.200 . 1 . . . . 97 Ala C . 26789 1 932 . 1 1 97 97 ALA CA C 13 52.787 0.200 . 1 . . . . 97 Ala CA . 26789 1 933 . 1 1 97 97 ALA CB C 13 19.228 0.200 . 1 . . . . 97 Ala CB . 26789 1 934 . 1 1 97 97 ALA N N 15 119.512 0.200 . 1 . . . . 97 Ala N . 26789 1 935 . 1 1 98 98 GLY H H 1 7.528 0.020 . 1 . . . . 98 Gly H . 26789 1 936 . 1 1 98 98 GLY HA2 H 1 3.689 0.020 . 2 . . . . 98 Gly HA2 . 26789 1 937 . 1 1 98 98 GLY HA3 H 1 4.242 0.020 . 2 . . . . 98 Gly HA3 . 26789 1 938 . 1 1 98 98 GLY C C 13 174.779 0.200 . 1 . . . . 98 Gly C . 26789 1 939 . 1 1 98 98 GLY CA C 13 44.906 0.200 . 1 . . . . 98 Gly CA . 26789 1 940 . 1 1 98 98 GLY N N 15 102.645 0.200 . 1 . . . . 98 Gly N . 26789 1 941 . 1 1 99 99 ALA H H 1 8.303 0.020 . 1 . . . . 99 Ala H . 26789 1 942 . 1 1 99 99 ALA HA H 1 4.336 0.020 . 1 . . . . 99 Ala HA . 26789 1 943 . 1 1 99 99 ALA HB1 H 1 1.217 0.020 . 1 . . . . 99 Ala HB1 . 26789 1 944 . 1 1 99 99 ALA HB2 H 1 1.217 0.020 . 1 . . . . 99 Ala HB2 . 26789 1 945 . 1 1 99 99 ALA HB3 H 1 1.217 0.020 . 1 . . . . 99 Ala HB3 . 26789 1 946 . 1 1 99 99 ALA C C 13 177.005 0.200 . 1 . . . . 99 Ala C . 26789 1 947 . 1 1 99 99 ALA CA C 13 52.777 0.200 . 1 . . . . 99 Ala CA . 26789 1 948 . 1 1 99 99 ALA CB C 13 18.956 0.200 . 1 . . . . 99 Ala CB . 26789 1 949 . 1 1 99 99 ALA N N 15 123.484 0.200 . 1 . . . . 99 Ala N . 26789 1 950 . 1 1 100 100 MET H H 1 8.931 0.020 . 1 . . . . 100 Met H . 26789 1 951 . 1 1 100 100 MET HA H 1 4.643 0.020 . 1 . . . . 100 Met HA . 26789 1 952 . 1 1 100 100 MET HB2 H 1 1.869 0.020 . 2 . . . . 100 Met HB2 . 26789 1 953 . 1 1 100 100 MET HB3 H 1 2.160 0.020 . 2 . . . . 100 Met HB3 . 26789 1 954 . 1 1 100 100 MET HG2 H 1 2.841 0.020 . 2 . . . . 100 Met HG2 . 26789 1 955 . 1 1 100 100 MET HG3 H 1 2.699 0.020 . 2 . . . . 100 Met HG3 . 26789 1 956 . 1 1 100 100 MET C C 13 176.050 0.200 . 1 . . . . 100 Met C . 26789 1 957 . 1 1 100 100 MET CA C 13 55.601 0.200 . 1 . . . . 100 Met CA . 26789 1 958 . 1 1 100 100 MET CB C 13 34.368 0.200 . 1 . . . . 100 Met CB . 26789 1 959 . 1 1 100 100 MET CG C 13 32.815 0.200 . 1 . . . . 100 Met CG . 26789 1 960 . 1 1 100 100 MET N N 15 122.062 0.200 . 1 . . . . 100 Met N . 26789 1 961 . 1 1 101 101 GLY H H 1 7.955 0.020 . 1 . . . . 101 Gly H . 26789 1 962 . 1 1 101 101 GLY HA2 H 1 3.357 0.020 . 2 . . . . 101 Gly HA2 . 26789 1 963 . 1 1 101 101 GLY HA3 H 1 4.434 0.020 . 2 . . . . 101 Gly HA3 . 26789 1 964 . 1 1 101 101 GLY CA C 13 44.551 0.200 . 1 . . . . 101 Gly CA . 26789 1 965 . 1 1 101 101 GLY N N 15 104.850 0.200 . 1 . . . . 101 Gly N . 26789 1 966 . 1 1 102 102 TRP HA H 1 5.597 0.020 . 1 . . . . 102 Trp HA . 26789 1 967 . 1 1 102 102 TRP HB2 H 1 3.128 0.020 . 1 . . . . 102 Trp HB2 . 26789 1 968 . 1 1 102 102 TRP HB3 H 1 3.128 0.020 . 1 . . . . 102 Trp HB3 . 26789 1 969 . 1 1 102 102 TRP HE1 H 1 10.088 0.020 . 1 . . . . 102 Trp HE1 . 26789 1 970 . 1 1 102 102 TRP CA C 13 56.718 0.200 . 1 . . . . 102 Trp CA . 26789 1 971 . 1 1 102 102 TRP CB C 13 31.692 0.200 . 1 . . . . 102 Trp CB . 26789 1 972 . 1 1 102 102 TRP NE1 N 15 129.543 0.200 . 1 . . . . 102 Trp NE1 . 26789 1 973 . 1 1 103 103 MET HA H 1 4.397 0.020 . 1 . . . . 103 Met HA . 26789 1 974 . 1 1 103 103 MET HB2 H 1 1.508 0.020 . 2 . . . . 103 Met HB2 . 26789 1 975 . 1 1 103 103 MET HB3 H 1 1.674 0.020 . 2 . . . . 103 Met HB3 . 26789 1 976 . 1 1 103 103 MET HG2 H 1 1.930 0.020 . 2 . . . . 103 Met HG2 . 26789 1 977 . 1 1 103 103 MET HG3 H 1 2.118 0.020 . 2 . . . . 103 Met HG3 . 26789 1 978 . 1 1 103 103 MET C C 13 172.788 0.200 . 1 . . . . 103 Met C . 26789 1 979 . 1 1 103 103 MET CA C 13 55.024 0.200 . 1 . . . . 103 Met CA . 26789 1 980 . 1 1 103 103 MET CB C 13 37.107 0.200 . 1 . . . . 103 Met CB . 26789 1 981 . 1 1 103 103 MET CG C 13 31.221 0.200 . 1 . . . . 103 Met CG . 26789 1 982 . 1 1 104 104 VAL H H 1 8.048 0.020 . 1 . . . . 104 Val H . 26789 1 983 . 1 1 104 104 VAL HA H 1 4.534 0.020 . 1 . . . . 104 Val HA . 26789 1 984 . 1 1 104 104 VAL HB H 1 1.889 0.020 . 1 . . . . 104 Val HB . 26789 1 985 . 1 1 104 104 VAL HG11 H 1 0.909 0.020 . 1 . . . . 104 Val HG11 . 26789 1 986 . 1 1 104 104 VAL HG12 H 1 0.909 0.020 . 1 . . . . 104 Val HG12 . 26789 1 987 . 1 1 104 104 VAL HG13 H 1 0.909 0.020 . 1 . . . . 104 Val HG13 . 26789 1 988 . 1 1 104 104 VAL HG21 H 1 0.909 0.020 . 1 . . . . 104 Val HG21 . 26789 1 989 . 1 1 104 104 VAL HG22 H 1 0.909 0.020 . 1 . . . . 104 Val HG22 . 26789 1 990 . 1 1 104 104 VAL HG23 H 1 0.909 0.020 . 1 . . . . 104 Val HG23 . 26789 1 991 . 1 1 104 104 VAL C C 13 175.937 0.200 . 1 . . . . 104 Val C . 26789 1 992 . 1 1 104 104 VAL CA C 13 60.646 0.200 . 1 . . . . 104 Val CA . 26789 1 993 . 1 1 104 104 VAL CB C 13 33.273 0.200 . 1 . . . . 104 Val CB . 26789 1 994 . 1 1 104 104 VAL CG1 C 13 21.625 0.200 . 1 . . . . 104 Val CG1 . 26789 1 995 . 1 1 104 104 VAL CG2 C 13 21.625 0.200 . 1 . . . . 104 Val CG2 . 26789 1 996 . 1 1 104 104 VAL N N 15 122.400 0.200 . 1 . . . . 104 Val N . 26789 1 997 . 1 1 105 105 LYS H H 1 8.203 0.020 . 1 . . . . 105 Lys H . 26789 1 998 . 1 1 105 105 LYS HA H 1 4.441 0.020 . 1 . . . . 105 Lys HA . 26789 1 999 . 1 1 105 105 LYS CA C 13 53.935 0.200 . 1 . . . . 105 Lys CA . 26789 1 1000 . 1 1 105 105 LYS N N 15 123.610 0.200 . 1 . . . . 105 Lys N . 26789 1 1001 . 1 1 106 106 PRO HA H 1 4.438 0.020 . 1 . . . . 106 Pro HA . 26789 1 1002 . 1 1 106 106 PRO HB2 H 1 1.915 0.020 . 2 . . . . 106 Pro HB2 . 26789 1 1003 . 1 1 106 106 PRO HB3 H 1 2.218 0.020 . 2 . . . . 106 Pro HB3 . 26789 1 1004 . 1 1 106 106 PRO HG2 H 1 1.879 0.020 . 1 . . . . 106 Pro HG2 . 26789 1 1005 . 1 1 106 106 PRO HG3 H 1 1.879 0.020 . 1 . . . . 106 Pro HG3 . 26789 1 1006 . 1 1 106 106 PRO HD2 H 1 3.450 0.020 . 2 . . . . 106 Pro HD2 . 26789 1 1007 . 1 1 106 106 PRO HD3 H 1 3.591 0.020 . 2 . . . . 106 Pro HD3 . 26789 1 1008 . 1 1 106 106 PRO C C 13 174.706 0.200 . 1 . . . . 106 Pro C . 26789 1 1009 . 1 1 106 106 PRO CA C 13 62.335 0.200 . 1 . . . . 106 Pro CA . 26789 1 1010 . 1 1 106 106 PRO CB C 13 34.648 0.200 . 1 . . . . 106 Pro CB . 26789 1 1011 . 1 1 106 106 PRO CG C 13 24.745 0.200 . 1 . . . . 106 Pro CG . 26789 1 1012 . 1 1 106 106 PRO CD C 13 50.173 0.200 . 1 . . . . 106 Pro CD . 26789 1 1013 . 1 1 106 106 PRO N N 15 135.134 0.200 . 1 . . . . 106 Pro N . 26789 1 1014 . 1 1 107 107 PHE H H 1 7.595 0.020 . 1 . . . . 107 Phe H . 26789 1 1015 . 1 1 107 107 PHE HA H 1 5.427 0.020 . 1 . . . . 107 Phe HA . 26789 1 1016 . 1 1 107 107 PHE HB2 H 1 3.220 0.020 . 2 . . . . 107 Phe HB2 . 26789 1 1017 . 1 1 107 107 PHE HB3 H 1 3.288 0.020 . 2 . . . . 107 Phe HB3 . 26789 1 1018 . 1 1 107 107 PHE C C 13 174.709 0.200 . 1 . . . . 107 Phe C . 26789 1 1019 . 1 1 107 107 PHE CA C 13 54.190 0.200 . 1 . . . . 107 Phe CA . 26789 1 1020 . 1 1 107 107 PHE CB C 13 41.181 0.200 . 1 . . . . 107 Phe CB . 26789 1 1021 . 1 1 107 107 PHE N N 15 117.113 0.200 . 1 . . . . 107 Phe N . 26789 1 1022 . 1 1 108 108 THR H H 1 8.472 0.020 . 1 . . . . 108 Thr H . 26789 1 1023 . 1 1 108 108 THR HA H 1 4.642 0.020 . 1 . . . . 108 Thr HA . 26789 1 1024 . 1 1 108 108 THR HB H 1 4.581 0.020 . 1 . . . . 108 Thr HB . 26789 1 1025 . 1 1 108 108 THR HG21 H 1 1.207 0.020 . 1 . . . . 108 Thr HG21 . 26789 1 1026 . 1 1 108 108 THR HG22 H 1 1.207 0.020 . 1 . . . . 108 Thr HG22 . 26789 1 1027 . 1 1 108 108 THR HG23 H 1 1.207 0.020 . 1 . . . . 108 Thr HG23 . 26789 1 1028 . 1 1 108 108 THR C C 13 175.533 0.200 . 1 . . . . 108 Thr C . 26789 1 1029 . 1 1 108 108 THR CA C 13 59.511 0.200 . 1 . . . . 108 Thr CA . 26789 1 1030 . 1 1 108 108 THR CB C 13 71.458 0.200 . 1 . . . . 108 Thr CB . 26789 1 1031 . 1 1 108 108 THR CG2 C 13 21.486 0.200 . 1 . . . . 108 Thr CG2 . 26789 1 1032 . 1 1 108 108 THR N N 15 110.312 0.200 . 1 . . . . 108 Thr N . 26789 1 1033 . 1 1 109 109 GLN H H 1 9.349 0.020 . 1 . . . . 109 Gln H . 26789 1 1034 . 1 1 109 109 GLN HA H 1 4.155 0.020 . 1 . . . . 109 Gln HA . 26789 1 1035 . 1 1 109 109 GLN HB2 H 1 2.270 0.020 . 2 . . . . 109 Gln HB2 . 26789 1 1036 . 1 1 109 109 GLN HB3 H 1 2.211 0.020 . 2 . . . . 109 Gln HB3 . 26789 1 1037 . 1 1 109 109 GLN HG2 H 1 2.550 0.020 . 2 . . . . 109 Gln HG2 . 26789 1 1038 . 1 1 109 109 GLN HG3 H 1 2.552 0.020 . 2 . . . . 109 Gln HG3 . 26789 1 1039 . 1 1 109 109 GLN HE21 H 1 7.616 0.020 . 1 . . . . 109 Gln HE21 . 26789 1 1040 . 1 1 109 109 GLN HE22 H 1 7.064 0.020 . 1 . . . . 109 Gln HE22 . 26789 1 1041 . 1 1 109 109 GLN C C 13 175.165 0.200 . 1 . . . . 109 Gln C . 26789 1 1042 . 1 1 109 109 GLN CA C 13 61.831 0.200 . 1 . . . . 109 Gln CA . 26789 1 1043 . 1 1 109 109 GLN CB C 13 26.280 0.200 . 1 . . . . 109 Gln CB . 26789 1 1044 . 1 1 109 109 GLN CG C 13 34.669 0.200 . 1 . . . . 109 Gln CG . 26789 1 1045 . 1 1 109 109 GLN N N 15 120.252 0.200 . 1 . . . . 109 Gln N . 26789 1 1046 . 1 1 109 109 GLN NE2 N 15 113.082 0.200 . 1 . . . . 109 Gln NE2 . 26789 1 1047 . 1 1 110 110 PRO HA H 1 4.249 0.020 . 1 . . . . 110 Pro HA . 26789 1 1048 . 1 1 110 110 PRO HB2 H 1 2.345 0.020 . 2 . . . . 110 Pro HB2 . 26789 1 1049 . 1 1 110 110 PRO HB3 H 1 1.791 0.020 . 2 . . . . 110 Pro HB3 . 26789 1 1050 . 1 1 110 110 PRO HG2 H 1 2.115 0.020 . 2 . . . . 110 Pro HG2 . 26789 1 1051 . 1 1 110 110 PRO HG3 H 1 2.000 0.020 . 2 . . . . 110 Pro HG3 . 26789 1 1052 . 1 1 110 110 PRO C C 13 180.209 0.200 . 1 . . . . 110 Pro C . 26789 1 1053 . 1 1 110 110 PRO CA C 13 65.969 0.200 . 1 . . . . 110 Pro CA . 26789 1 1054 . 1 1 110 110 PRO CB C 13 31.318 0.200 . 1 . . . . 110 Pro CB . 26789 1 1055 . 1 1 110 110 PRO CG C 13 28.295 0.200 . 1 . . . . 110 Pro CG . 26789 1 1056 . 1 1 110 110 PRO N N 15 134.495 0.200 . 1 . . . . 110 Pro N . 26789 1 1057 . 1 1 111 111 GLN H H 1 7.286 0.020 . 1 . . . . 111 Gln H . 26789 1 1058 . 1 1 111 111 GLN HA H 1 4.056 0.020 . 1 . . . . 111 Gln HA . 26789 1 1059 . 1 1 111 111 GLN HB2 H 1 2.479 0.020 . 2 . . . . 111 Gln HB2 . 26789 1 1060 . 1 1 111 111 GLN HB3 H 1 2.019 0.020 . 2 . . . . 111 Gln HB3 . 26789 1 1061 . 1 1 111 111 GLN HG2 H 1 2.483 0.020 . 2 . . . . 111 Gln HG2 . 26789 1 1062 . 1 1 111 111 GLN HG3 H 1 2.410 0.020 . 2 . . . . 111 Gln HG3 . 26789 1 1063 . 1 1 111 111 GLN HE21 H 1 7.528 0.020 . 1 . . . . 111 Gln HE21 . 26789 1 1064 . 1 1 111 111 GLN HE22 H 1 7.048 0.020 . 1 . . . . 111 Gln HE22 . 26789 1 1065 . 1 1 111 111 GLN C C 13 178.599 0.200 . 1 . . . . 111 Gln C . 26789 1 1066 . 1 1 111 111 GLN CA C 13 58.823 0.200 . 1 . . . . 111 Gln CA . 26789 1 1067 . 1 1 111 111 GLN CB C 13 28.785 0.200 . 1 . . . . 111 Gln CB . 26789 1 1068 . 1 1 111 111 GLN CG C 13 34.672 0.200 . 1 . . . . 111 Gln CG . 26789 1 1069 . 1 1 111 111 GLN N N 15 117.077 0.200 . 1 . . . . 111 Gln N . 26789 1 1070 . 1 1 111 111 GLN NE2 N 15 111.321 0.200 . 1 . . . . 111 Gln NE2 . 26789 1 1071 . 1 1 112 112 LEU H H 1 7.891 0.020 . 1 . . . . 112 Leu H . 26789 1 1072 . 1 1 112 112 LEU HA H 1 3.881 0.020 . 1 . . . . 112 Leu HA . 26789 1 1073 . 1 1 112 112 LEU HB2 H 1 2.067 0.020 . 2 . . . . 112 Leu HB2 . 26789 1 1074 . 1 1 112 112 LEU HB3 H 1 1.356 0.020 . 2 . . . . 112 Leu HB3 . 26789 1 1075 . 1 1 112 112 LEU HG H 1 1.342 0.020 . 1 . . . . 112 Leu HG . 26789 1 1076 . 1 1 112 112 LEU HD11 H 1 0.543 0.020 . 2 . . . . 112 Leu HD11 . 26789 1 1077 . 1 1 112 112 LEU HD12 H 1 0.543 0.020 . 2 . . . . 112 Leu HD12 . 26789 1 1078 . 1 1 112 112 LEU HD13 H 1 0.543 0.020 . 2 . . . . 112 Leu HD13 . 26789 1 1079 . 1 1 112 112 LEU HD21 H 1 0.941 0.020 . 2 . . . . 112 Leu HD21 . 26789 1 1080 . 1 1 112 112 LEU HD22 H 1 0.941 0.020 . 2 . . . . 112 Leu HD22 . 26789 1 1081 . 1 1 112 112 LEU HD23 H 1 0.941 0.020 . 2 . . . . 112 Leu HD23 . 26789 1 1082 . 1 1 112 112 LEU C C 13 177.729 0.200 . 1 . . . . 112 Leu C . 26789 1 1083 . 1 1 112 112 LEU CA C 13 57.450 0.200 . 1 . . . . 112 Leu CA . 26789 1 1084 . 1 1 112 112 LEU CB C 13 41.069 0.200 . 1 . . . . 112 Leu CB . 26789 1 1085 . 1 1 112 112 LEU CG C 13 27.471 0.200 . 1 . . . . 112 Leu CG . 26789 1 1086 . 1 1 112 112 LEU CD1 C 13 27.972 0.200 . 2 . . . . 112 Leu CD1 . 26789 1 1087 . 1 1 112 112 LEU CD2 C 13 22.163 0.200 . 2 . . . . 112 Leu CD2 . 26789 1 1088 . 1 1 112 112 LEU N N 15 120.767 0.200 . 1 . . . . 112 Leu N . 26789 1 1089 . 1 1 113 113 LEU H H 1 8.328 0.020 . 1 . . . . 113 Leu H . 26789 1 1090 . 1 1 113 113 LEU HA H 1 3.814 0.020 . 1 . . . . 113 Leu HA . 26789 1 1091 . 1 1 113 113 LEU HB2 H 1 1.503 0.020 . 2 . . . . 113 Leu HB2 . 26789 1 1092 . 1 1 113 113 LEU HB3 H 1 1.666 0.020 . 2 . . . . 113 Leu HB3 . 26789 1 1093 . 1 1 113 113 LEU HG H 1 1.578 0.020 . 1 . . . . 113 Leu HG . 26789 1 1094 . 1 1 113 113 LEU HD11 H 1 0.886 0.020 . 2 . . . . 113 Leu HD11 . 26789 1 1095 . 1 1 113 113 LEU HD12 H 1 0.886 0.020 . 2 . . . . 113 Leu HD12 . 26789 1 1096 . 1 1 113 113 LEU HD13 H 1 0.886 0.020 . 2 . . . . 113 Leu HD13 . 26789 1 1097 . 1 1 113 113 LEU HD21 H 1 0.805 0.020 . 2 . . . . 113 Leu HD21 . 26789 1 1098 . 1 1 113 113 LEU HD22 H 1 0.805 0.020 . 2 . . . . 113 Leu HD22 . 26789 1 1099 . 1 1 113 113 LEU HD23 H 1 0.805 0.020 . 2 . . . . 113 Leu HD23 . 26789 1 1100 . 1 1 113 113 LEU C C 13 178.770 0.200 . 1 . . . . 113 Leu C . 26789 1 1101 . 1 1 113 113 LEU CA C 13 57.762 0.200 . 1 . . . . 113 Leu CA . 26789 1 1102 . 1 1 113 113 LEU CB C 13 41.280 0.200 . 1 . . . . 113 Leu CB . 26789 1 1103 . 1 1 113 113 LEU CG C 13 26.888 0.200 . 1 . . . . 113 Leu CG . 26789 1 1104 . 1 1 113 113 LEU CD1 C 13 24.549 0.200 . 2 . . . . 113 Leu CD1 . 26789 1 1105 . 1 1 113 113 LEU CD2 C 13 23.130 0.200 . 2 . . . . 113 Leu CD2 . 26789 1 1106 . 1 1 113 113 LEU N N 15 117.912 0.200 . 1 . . . . 113 Leu N . 26789 1 1107 . 1 1 114 114 ALA H H 1 7.840 0.020 . 1 . . . . 114 Ala H . 26789 1 1108 . 1 1 114 114 ALA HA H 1 4.101 0.020 . 1 . . . . 114 Ala HA . 26789 1 1109 . 1 1 114 114 ALA HB1 H 1 1.469 0.020 . 1 . . . . 114 Ala HB1 . 26789 1 1110 . 1 1 114 114 ALA HB2 H 1 1.469 0.020 . 1 . . . . 114 Ala HB2 . 26789 1 1111 . 1 1 114 114 ALA HB3 H 1 1.469 0.020 . 1 . . . . 114 Ala HB3 . 26789 1 1112 . 1 1 114 114 ALA C C 13 180.848 0.200 . 1 . . . . 114 Ala C . 26789 1 1113 . 1 1 114 114 ALA CA C 13 55.093 0.200 . 1 . . . . 114 Ala CA . 26789 1 1114 . 1 1 114 114 ALA CB C 13 18.082 0.200 . 1 . . . . 114 Ala CB . 26789 1 1115 . 1 1 114 114 ALA N N 15 119.972 0.200 . 1 . . . . 114 Ala N . 26789 1 1116 . 1 1 115 115 VAL H H 1 7.618 0.020 . 1 . . . . 115 Val H . 26789 1 1117 . 1 1 115 115 VAL HA H 1 3.824 0.020 . 1 . . . . 115 Val HA . 26789 1 1118 . 1 1 115 115 VAL HB H 1 2.070 0.020 . 1 . . . . 115 Val HB . 26789 1 1119 . 1 1 115 115 VAL HG11 H 1 0.833 0.020 . 2 . . . . 115 Val HG11 . 26789 1 1120 . 1 1 115 115 VAL HG12 H 1 0.833 0.020 . 2 . . . . 115 Val HG12 . 26789 1 1121 . 1 1 115 115 VAL HG13 H 1 0.833 0.020 . 2 . . . . 115 Val HG13 . 26789 1 1122 . 1 1 115 115 VAL HG21 H 1 0.997 0.020 . 2 . . . . 115 Val HG21 . 26789 1 1123 . 1 1 115 115 VAL HG22 H 1 0.997 0.020 . 2 . . . . 115 Val HG22 . 26789 1 1124 . 1 1 115 115 VAL HG23 H 1 0.997 0.020 . 2 . . . . 115 Val HG23 . 26789 1 1125 . 1 1 115 115 VAL C C 13 177.457 0.200 . 1 . . . . 115 Val C . 26789 1 1126 . 1 1 115 115 VAL CA C 13 65.988 0.200 . 1 . . . . 115 Val CA . 26789 1 1127 . 1 1 115 115 VAL CB C 13 31.715 0.200 . 1 . . . . 115 Val CB . 26789 1 1128 . 1 1 115 115 VAL CG1 C 13 23.306 0.200 . 2 . . . . 115 Val CG1 . 26789 1 1129 . 1 1 115 115 VAL CG2 C 13 20.964 0.200 . 2 . . . . 115 Val CG2 . 26789 1 1130 . 1 1 115 115 VAL N N 15 119.800 0.200 . 1 . . . . 115 Val N . 26789 1 1131 . 1 1 116 116 ILE H H 1 8.003 0.020 . 1 . . . . 116 Ile H . 26789 1 1132 . 1 1 116 116 ILE HA H 1 3.641 0.020 . 1 . . . . 116 Ile HA . 26789 1 1133 . 1 1 116 116 ILE HB H 1 1.759 0.020 . 1 . . . . 116 Ile HB . 26789 1 1134 . 1 1 116 116 ILE HG12 H 1 1.127 0.020 . 1 . . . . 116 Ile HG12 . 26789 1 1135 . 1 1 116 116 ILE HG21 H 1 0.620 0.020 . 1 . . . . 116 Ile HG21 . 26789 1 1136 . 1 1 116 116 ILE HG22 H 1 0.620 0.020 . 1 . . . . 116 Ile HG22 . 26789 1 1137 . 1 1 116 116 ILE HG23 H 1 0.620 0.020 . 1 . . . . 116 Ile HG23 . 26789 1 1138 . 1 1 116 116 ILE HD11 H 1 0.358 0.020 . 1 . . . . 116 Ile HD11 . 26789 1 1139 . 1 1 116 116 ILE HD12 H 1 0.358 0.020 . 1 . . . . 116 Ile HD12 . 26789 1 1140 . 1 1 116 116 ILE HD13 H 1 0.358 0.020 . 1 . . . . 116 Ile HD13 . 26789 1 1141 . 1 1 116 116 ILE C C 13 177.491 0.200 . 1 . . . . 116 Ile C . 26789 1 1142 . 1 1 116 116 ILE CA C 13 62.529 0.200 . 1 . . . . 116 Ile CA . 26789 1 1143 . 1 1 116 116 ILE CB C 13 36.273 0.200 . 1 . . . . 116 Ile CB . 26789 1 1144 . 1 1 116 116 ILE CG1 C 13 27.838 0.200 . 1 . . . . 116 Ile CG1 . 26789 1 1145 . 1 1 116 116 ILE CG2 C 13 17.174 0.200 . 1 . . . . 116 Ile CG2 . 26789 1 1146 . 1 1 116 116 ILE CD1 C 13 10.998 0.200 . 1 . . . . 116 Ile CD1 . 26789 1 1147 . 1 1 116 116 ILE N N 15 120.710 0.200 . 1 . . . . 116 Ile N . 26789 1 1148 . 1 1 117 117 LYS H H 1 8.120 0.020 . 1 . . . . 117 Lys H . 26789 1 1149 . 1 1 117 117 LYS HA H 1 3.993 0.020 . 1 . . . . 117 Lys HA . 26789 1 1150 . 1 1 117 117 LYS C C 13 178.806 0.200 . 1 . . . . 117 Lys C . 26789 1 1151 . 1 1 117 117 LYS CA C 13 58.869 0.200 . 1 . . . . 117 Lys CA . 26789 1 1152 . 1 1 117 117 LYS CB C 13 32.098 0.200 . 1 . . . . 117 Lys CB . 26789 1 1153 . 1 1 117 117 LYS N N 15 120.538 0.200 . 1 . . . . 117 Lys N . 26789 1 1154 . 1 1 118 118 LYS H H 1 7.558 0.020 . 1 . . . . 118 Lys H . 26789 1 1155 . 1 1 118 118 LYS HA H 1 4.068 0.020 . 1 . . . . 118 Lys HA . 26789 1 1156 . 1 1 118 118 LYS HB3 H 1 1.983 0.020 . 1 . . . . 118 Lys HB3 . 26789 1 1157 . 1 1 118 118 LYS C C 13 178.423 0.200 . 1 . . . . 118 Lys C . 26789 1 1158 . 1 1 118 118 LYS CA C 13 58.847 0.200 . 1 . . . . 118 Lys CA . 26789 1 1159 . 1 1 118 118 LYS CB C 13 32.904 0.200 . 1 . . . . 118 Lys CB . 26789 1 1160 . 1 1 118 118 LYS N N 15 118.261 0.200 . 1 . . . . 118 Lys N . 26789 1 1161 . 1 1 119 119 VAL H H 1 7.915 0.020 . 1 . . . . 119 Val H . 26789 1 1162 . 1 1 119 119 VAL HA H 1 4.113 0.020 . 1 . . . . 119 Val HA . 26789 1 1163 . 1 1 119 119 VAL HB H 1 2.077 0.020 . 1 . . . . 119 Val HB . 26789 1 1164 . 1 1 119 119 VAL HG11 H 1 0.903 0.020 . 1 . . . . 119 Val HG11 . 26789 1 1165 . 1 1 119 119 VAL HG12 H 1 0.903 0.020 . 1 . . . . 119 Val HG12 . 26789 1 1166 . 1 1 119 119 VAL HG13 H 1 0.903 0.020 . 1 . . . . 119 Val HG13 . 26789 1 1167 . 1 1 119 119 VAL HG21 H 1 0.903 0.020 . 1 . . . . 119 Val HG21 . 26789 1 1168 . 1 1 119 119 VAL HG22 H 1 0.903 0.020 . 1 . . . . 119 Val HG22 . 26789 1 1169 . 1 1 119 119 VAL HG23 H 1 0.903 0.020 . 1 . . . . 119 Val HG23 . 26789 1 1170 . 1 1 119 119 VAL C C 13 176.294 0.200 . 1 . . . . 119 Val C . 26789 1 1171 . 1 1 119 119 VAL CA C 13 63.880 0.200 . 1 . . . . 119 Val CA . 26789 1 1172 . 1 1 119 119 VAL CB C 13 32.248 0.200 . 1 . . . . 119 Val CB . 26789 1 1173 . 1 1 119 119 VAL CG1 C 13 20.518 0.200 . 1 . . . . 119 Val CG1 . 26789 1 1174 . 1 1 119 119 VAL CG2 C 13 20.518 0.200 . 1 . . . . 119 Val CG2 . 26789 1 1175 . 1 1 119 119 VAL N N 15 112.757 0.200 . 1 . . . . 119 Val N . 26789 1 1176 . 1 1 120 120 LEU H H 1 8.241 0.020 . 1 . . . . 120 Leu H . 26789 1 1177 . 1 1 120 120 LEU HA H 1 4.543 0.020 . 1 . . . . 120 Leu HA . 26789 1 1178 . 1 1 120 120 LEU HB2 H 1 1.667 0.020 . 2 . . . . 120 Leu HB2 . 26789 1 1179 . 1 1 120 120 LEU HB3 H 1 1.729 0.020 . 2 . . . . 120 Leu HB3 . 26789 1 1180 . 1 1 120 120 LEU HG H 1 1.540 0.020 . 1 . . . . 120 Leu HG . 26789 1 1181 . 1 1 120 120 LEU HD11 H 1 0.745 0.020 . 2 . . . . 120 Leu HD11 . 26789 1 1182 . 1 1 120 120 LEU HD12 H 1 0.745 0.020 . 2 . . . . 120 Leu HD12 . 26789 1 1183 . 1 1 120 120 LEU HD13 H 1 0.745 0.020 . 2 . . . . 120 Leu HD13 . 26789 1 1184 . 1 1 120 120 LEU HD21 H 1 0.646 0.020 . 2 . . . . 120 Leu HD21 . 26789 1 1185 . 1 1 120 120 LEU HD22 H 1 0.646 0.020 . 2 . . . . 120 Leu HD22 . 26789 1 1186 . 1 1 120 120 LEU HD23 H 1 0.646 0.020 . 2 . . . . 120 Leu HD23 . 26789 1 1187 . 1 1 120 120 LEU C C 13 176.986 0.200 . 1 . . . . 120 Leu C . 26789 1 1188 . 1 1 120 120 LEU CA C 13 55.314 0.200 . 1 . . . . 120 Leu CA . 26789 1 1189 . 1 1 120 120 LEU CB C 13 43.062 0.200 . 1 . . . . 120 Leu CB . 26789 1 1190 . 1 1 120 120 LEU CG C 13 27.065 0.200 . 1 . . . . 120 Leu CG . 26789 1 1191 . 1 1 120 120 LEU CD1 C 13 24.057 0.200 . 2 . . . . 120 Leu CD1 . 26789 1 1192 . 1 1 120 120 LEU CD2 C 13 25.403 0.200 . 2 . . . . 120 Leu CD2 . 26789 1 1193 . 1 1 120 120 LEU N N 15 119.689 0.200 . 1 . . . . 120 Leu N . 26789 1 1194 . 1 1 121 121 GLY H H 1 7.722 0.020 . 1 . . . . 121 Gly H . 26789 1 1195 . 1 1 121 121 GLY HA2 H 1 3.737 0.020 . 2 . . . . 121 Gly HA2 . 26789 1 1196 . 1 1 121 121 GLY HA3 H 1 3.961 0.020 . 2 . . . . 121 Gly HA3 . 26789 1 1197 . 1 1 121 121 GLY C C 13 179.154 0.200 . 1 . . . . 121 Gly C . 26789 1 1198 . 1 1 121 121 GLY CA C 13 46.379 0.200 . 1 . . . . 121 Gly CA . 26789 1 1199 . 1 1 121 121 GLY N N 15 115.245 0.200 . 1 . . . . 121 Gly N . 26789 1 stop_ save_