data_26844 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26844 _Entry.Title ; NMR assignments for the insertion domain of bacteriophage Sf6 coat protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-05 _Entry.Accession_date 2016-07-05 _Entry.Last_release_date 2016-07-05 _Entry.Original_release_date 2016-07-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Therese Tripler . N. . . 26844 2 Carolyn Teschke . M. . . 26844 3 Andrei Alexandrescu . T. . . 26844 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26844 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 448 26844 '15N chemical shifts' 132 26844 '1H chemical shifts' 754 26844 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-10-03 . original BMRB . 26844 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26844 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27798771 _Citation.Full_citation . _Citation.Title ; NMR assignments for the insertion domain of bacteriophage Sf6 coat protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 1 _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 35 _Citation.Page_last 38 _Citation.Year 2017 _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 Therese Tripler . N. . . 26844 1 2 Carolyn Teschke . M. . . 26844 1 3 Andrei Alexandresu . T. . . 26844 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26844 _Assembly.ID 1 _Assembly.Name procapsid _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Sf6id 1 $Sf6id A . yes native no no . . . 26844 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sf6id _Entity.Sf_category entity _Entity.Sf_framecode Sf6id _Entity.Entry_ID 26844 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sf6id _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 ; GAFGGTLTVKTQPTVTYNAV KDSYQFTVTLTGATASVTGF LKAGDQVKFTNTYWLQQQTK QALYNGATPISFTATVTADA NSDSGGDVTVTLSGVPIYDT TNPQYNSVSRQVEAGDAVSV VGTA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Fragment begins residue 222 to 345, does not include cloning artifacts at the C-term: LEHHHHHH.' _Entity.Polymer_author_seq_details 'contains C-terminal 6x his-tag' _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 124 _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 . 26844 1 2 2 ALA . 26844 1 3 3 PHE . 26844 1 4 4 GLY . 26844 1 5 5 GLY . 26844 1 6 6 THR . 26844 1 7 7 LEU . 26844 1 8 8 THR . 26844 1 9 9 VAL . 26844 1 10 10 LYS . 26844 1 11 11 THR . 26844 1 12 12 GLN . 26844 1 13 13 PRO . 26844 1 14 14 THR . 26844 1 15 15 VAL . 26844 1 16 16 THR . 26844 1 17 17 TYR . 26844 1 18 18 ASN . 26844 1 19 19 ALA . 26844 1 20 20 VAL . 26844 1 21 21 LYS . 26844 1 22 22 ASP . 26844 1 23 23 SER . 26844 1 24 24 TYR . 26844 1 25 25 GLN . 26844 1 26 26 PHE . 26844 1 27 27 THR . 26844 1 28 28 VAL . 26844 1 29 29 THR . 26844 1 30 30 LEU . 26844 1 31 31 THR . 26844 1 32 32 GLY . 26844 1 33 33 ALA . 26844 1 34 34 THR . 26844 1 35 35 ALA . 26844 1 36 36 SER . 26844 1 37 37 VAL . 26844 1 38 38 THR . 26844 1 39 39 GLY . 26844 1 40 40 PHE . 26844 1 41 41 LEU . 26844 1 42 42 LYS . 26844 1 43 43 ALA . 26844 1 44 44 GLY . 26844 1 45 45 ASP . 26844 1 46 46 GLN . 26844 1 47 47 VAL . 26844 1 48 48 LYS . 26844 1 49 49 PHE . 26844 1 50 50 THR . 26844 1 51 51 ASN . 26844 1 52 52 THR . 26844 1 53 53 TYR . 26844 1 54 54 TRP . 26844 1 55 55 LEU . 26844 1 56 56 GLN . 26844 1 57 57 GLN . 26844 1 58 58 GLN . 26844 1 59 59 THR . 26844 1 60 60 LYS . 26844 1 61 61 GLN . 26844 1 62 62 ALA . 26844 1 63 63 LEU . 26844 1 64 64 TYR . 26844 1 65 65 ASN . 26844 1 66 66 GLY . 26844 1 67 67 ALA . 26844 1 68 68 THR . 26844 1 69 69 PRO . 26844 1 70 70 ILE . 26844 1 71 71 SER . 26844 1 72 72 PHE . 26844 1 73 73 THR . 26844 1 74 74 ALA . 26844 1 75 75 THR . 26844 1 76 76 VAL . 26844 1 77 77 THR . 26844 1 78 78 ALA . 26844 1 79 79 ASP . 26844 1 80 80 ALA . 26844 1 81 81 ASN . 26844 1 82 82 SER . 26844 1 83 83 ASP . 26844 1 84 84 SER . 26844 1 85 85 GLY . 26844 1 86 86 GLY . 26844 1 87 87 ASP . 26844 1 88 88 VAL . 26844 1 89 89 THR . 26844 1 90 90 VAL . 26844 1 91 91 THR . 26844 1 92 92 LEU . 26844 1 93 93 SER . 26844 1 94 94 GLY . 26844 1 95 95 VAL . 26844 1 96 96 PRO . 26844 1 97 97 ILE . 26844 1 98 98 TYR . 26844 1 99 99 ASP . 26844 1 100 100 THR . 26844 1 101 101 THR . 26844 1 102 102 ASN . 26844 1 103 103 PRO . 26844 1 104 104 GLN . 26844 1 105 105 TYR . 26844 1 106 106 ASN . 26844 1 107 107 SER . 26844 1 108 108 VAL . 26844 1 109 109 SER . 26844 1 110 110 ARG . 26844 1 111 111 GLN . 26844 1 112 112 VAL . 26844 1 113 113 GLU . 26844 1 114 114 ALA . 26844 1 115 115 GLY . 26844 1 116 116 ASP . 26844 1 117 117 ALA . 26844 1 118 118 VAL . 26844 1 119 119 SER . 26844 1 120 120 VAL . 26844 1 121 121 VAL . 26844 1 122 122 GLY . 26844 1 123 123 THR . 26844 1 124 124 ALA . 26844 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 26844 1 . ALA 2 2 26844 1 . PHE 3 3 26844 1 . GLY 4 4 26844 1 . GLY 5 5 26844 1 . THR 6 6 26844 1 . LEU 7 7 26844 1 . THR 8 8 26844 1 . VAL 9 9 26844 1 . LYS 10 10 26844 1 . THR 11 11 26844 1 . GLN 12 12 26844 1 . PRO 13 13 26844 1 . THR 14 14 26844 1 . VAL 15 15 26844 1 . THR 16 16 26844 1 . TYR 17 17 26844 1 . ASN 18 18 26844 1 . ALA 19 19 26844 1 . VAL 20 20 26844 1 . LYS 21 21 26844 1 . ASP 22 22 26844 1 . SER 23 23 26844 1 . TYR 24 24 26844 1 . GLN 25 25 26844 1 . PHE 26 26 26844 1 . THR 27 27 26844 1 . VAL 28 28 26844 1 . THR 29 29 26844 1 . LEU 30 30 26844 1 . THR 31 31 26844 1 . GLY 32 32 26844 1 . ALA 33 33 26844 1 . THR 34 34 26844 1 . ALA 35 35 26844 1 . SER 36 36 26844 1 . VAL 37 37 26844 1 . THR 38 38 26844 1 . GLY 39 39 26844 1 . PHE 40 40 26844 1 . LEU 41 41 26844 1 . LYS 42 42 26844 1 . ALA 43 43 26844 1 . GLY 44 44 26844 1 . ASP 45 45 26844 1 . GLN 46 46 26844 1 . VAL 47 47 26844 1 . LYS 48 48 26844 1 . PHE 49 49 26844 1 . THR 50 50 26844 1 . ASN 51 51 26844 1 . THR 52 52 26844 1 . TYR 53 53 26844 1 . TRP 54 54 26844 1 . LEU 55 55 26844 1 . GLN 56 56 26844 1 . GLN 57 57 26844 1 . GLN 58 58 26844 1 . THR 59 59 26844 1 . LYS 60 60 26844 1 . GLN 61 61 26844 1 . ALA 62 62 26844 1 . LEU 63 63 26844 1 . TYR 64 64 26844 1 . ASN 65 65 26844 1 . GLY 66 66 26844 1 . ALA 67 67 26844 1 . THR 68 68 26844 1 . PRO 69 69 26844 1 . ILE 70 70 26844 1 . SER 71 71 26844 1 . PHE 72 72 26844 1 . THR 73 73 26844 1 . ALA 74 74 26844 1 . THR 75 75 26844 1 . VAL 76 76 26844 1 . THR 77 77 26844 1 . ALA 78 78 26844 1 . ASP 79 79 26844 1 . ALA 80 80 26844 1 . ASN 81 81 26844 1 . SER 82 82 26844 1 . ASP 83 83 26844 1 . SER 84 84 26844 1 . GLY 85 85 26844 1 . GLY 86 86 26844 1 . ASP 87 87 26844 1 . VAL 88 88 26844 1 . THR 89 89 26844 1 . VAL 90 90 26844 1 . THR 91 91 26844 1 . LEU 92 92 26844 1 . SER 93 93 26844 1 . GLY 94 94 26844 1 . VAL 95 95 26844 1 . PRO 96 96 26844 1 . ILE 97 97 26844 1 . TYR 98 98 26844 1 . ASP 99 99 26844 1 . THR 100 100 26844 1 . THR 101 101 26844 1 . ASN 102 102 26844 1 . PRO 103 103 26844 1 . GLN 104 104 26844 1 . TYR 105 105 26844 1 . ASN 106 106 26844 1 . SER 107 107 26844 1 . VAL 108 108 26844 1 . SER 109 109 26844 1 . ARG 110 110 26844 1 . GLN 111 111 26844 1 . VAL 112 112 26844 1 . GLU 113 113 26844 1 . ALA 114 114 26844 1 . GLY 115 115 26844 1 . ASP 116 116 26844 1 . ALA 117 117 26844 1 . VAL 118 118 26844 1 . SER 119 119 26844 1 . VAL 120 120 26844 1 . VAL 121 121 26844 1 . GLY 122 122 26844 1 . THR 123 123 26844 1 . ALA 124 124 26844 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 26844 _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 $Sf6id . 38018 virus . 'Sf6 Bacteriophage' 'Sf6 Bacteriophage' . . Virsues . Sf6 Bacteriophage . . . . . . . . . . . . . 26844 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 26844 _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 $Sf6id . 'recombinant technology' 'Shigella flexneri' . . . Shigella flexneri . . . . . . pET21a . . . 26844 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26844 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'insertion domain' '[U-100% 15N]' . . 1 $Sf6id . . 1.5 . . mM . . . . 26844 1 2 'insertion domain' '[U-100% 13C; U-100% 15N]' . . 1 $Sf6id . . 2.1 . . mM . . . . 26844 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26844 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26844 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26844 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'insertion domain' '[U-100% 13C; U-100% 15N]' . . 1 $Sf6id . . 2.1 . . mM . . . . 26844 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 26844 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26844 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 26844 1 pH 6 . pH 26844 1 pressure 1 . atm 26844 1 temperature 298 . K 26844 1 stop_ save_ ############################ # Computer software used # ############################ save_Ccpnmr_analysis _Software.Sf_category software _Software.Sf_framecode Ccpnmr_analysis _Software.Entry_ID 26844 _Software.ID 1 _Software.Type . _Software.Name Ccpnmr_analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26844 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26844 1 'peak picking' 26844 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 26844 _Software.ID 2 _Software.Type . _Software.Name Felix _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 26844 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26844 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26844 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26844 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26844 3 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 26844 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26844 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26844 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 26844 1 2 spectrometer_2 Varian INOVA . 600 . . . 26844 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 26844 _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 NH2 only' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26844 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26844 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26844 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26844 1 5 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26844 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26844 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26844 1 8 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26844 1 9 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26844 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26844 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26844 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 26844 _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 internal indirect 0.251449530 . . . . . 26844 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 26844 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 26844 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 26844 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC NH2 only' . . . 26844 1 2 '3D HNCACB' . . . 26844 1 3 '3D CBCA(CO)NH' . . . 26844 1 4 '3D HNCO' . . . 26844 1 5 HNCACO . . . 26844 1 6 '3D HBHA(CO)NH' . . . 26844 1 7 '3D HCCH-TOCSY' . . . 26844 1 8 '3D CCH-TOCSY' . . . 26844 1 9 '2D DQF-COSY' . . . 26844 1 10 '2D 1H-1H TOCSY' . . . 26844 1 11 '2D 1H-1H NOESY' . . . 26844 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.582 0.007 . 1 . . . . . 2 Ala H . 26844 1 2 . 1 1 2 2 ALA HA H 1 4.452 0.007 . 1 . . . . . 2 Ala HA . 26844 1 3 . 1 1 2 2 ALA HB1 H 1 1.270 0.007 . 1 . . . . . 2 Ala HB1 . 26844 1 4 . 1 1 2 2 ALA HB2 H 1 1.270 0.007 . 1 . . . . . 2 Ala HB2 . 26844 1 5 . 1 1 2 2 ALA HB3 H 1 1.270 0.007 . 1 . . . . . 2 Ala HB3 . 26844 1 6 . 1 1 2 2 ALA C C 13 173.709 0.456 . 1 . . . . . 2 Ala C . 26844 1 7 . 1 1 2 2 ALA CA C 13 51.954 0.547 . 1 . . . . . 2 Ala CA . 26844 1 8 . 1 1 2 2 ALA CB C 13 19.043 0.547 . 1 . . . . . 2 Ala CB . 26844 1 9 . 1 1 2 2 ALA N N 15 123.475 0.0585 . 1 . . . . . 2 Ala N . 26844 1 10 . 1 1 3 3 PHE H H 1 8.572 0.007 . 1 . . . . . 3 Phe H . 26844 1 11 . 1 1 3 3 PHE HA H 1 4.545 0.007 . 1 . . . . . 3 Phe HA . 26844 1 12 . 1 1 3 3 PHE HB2 H 1 3.112 0.007 . 2 . . . . . 3 Phe HB2 . 26844 1 13 . 1 1 3 3 PHE HB3 H 1 2.827 0.007 . 2 . . . . . 3 Phe HB3 . 26844 1 14 . 1 1 3 3 PHE HD1 H 1 7.397 0.007 . 1 . . . . . 3 Phe HD1 . 26844 1 15 . 1 1 3 3 PHE HD2 H 1 7.397 0.007 . 1 . . . . . 3 Phe HD2 . 26844 1 16 . 1 1 3 3 PHE HE1 H 1 7.114 0.007 . 1 . . . . . 3 Phe HE1 . 26844 1 17 . 1 1 3 3 PHE HE2 H 1 7.114 0.007 . 1 . . . . . 3 Phe HE2 . 26844 1 18 . 1 1 3 3 PHE HZ H 1 7.008 0.007 . 1 . . . . . 3 Phe HZ . 26844 1 19 . 1 1 3 3 PHE C C 13 174.759 0.456 . 1 . . . . . 3 Phe C . 26844 1 20 . 1 1 3 3 PHE CA C 13 58.050 0.547 . 1 . . . . . 3 Phe CA . 26844 1 21 . 1 1 3 3 PHE CB C 13 39.454 0.547 . 1 . . . . . 3 Phe CB . 26844 1 22 . 1 1 3 3 PHE N N 15 121.738 0.0585 . 1 . . . . . 3 Phe N . 26844 1 23 . 1 1 4 4 GLY H H 1 8.533 0.007 . 1 . . . . . 4 Gly H . 26844 1 24 . 1 1 4 4 GLY HA2 H 1 4.112 0.007 . 2 . . . . . 4 Gly HA2 . 26844 1 25 . 1 1 4 4 GLY HA3 H 1 3.650 0.007 . 2 . . . . . 4 Gly HA3 . 26844 1 26 . 1 1 4 4 GLY C C 13 176.840 0.456 . 1 . . . . . 4 Gly C . 26844 1 27 . 1 1 4 4 GLY CA C 13 44.653 0.547 . 1 . . . . . 4 Gly CA . 26844 1 28 . 1 1 4 4 GLY N N 15 114.950 0.0585 . 1 . . . . . 4 Gly N . 26844 1 29 . 1 1 5 5 GLY H H 1 5.897 0.007 . 1 . . . . . 5 Gly H . 26844 1 30 . 1 1 5 5 GLY HA2 H 1 4.087 0.007 . 2 . . . . . 5 Gly HA2 . 26844 1 31 . 1 1 5 5 GLY HA3 H 1 3.648 0.007 . 2 . . . . . 5 Gly HA3 . 26844 1 32 . 1 1 5 5 GLY C C 13 178.046 0.456 . 1 . . . . . 5 Gly C . 26844 1 33 . 1 1 5 5 GLY CA C 13 44.174 0.547 . 1 . . . . . 5 Gly CA . 26844 1 34 . 1 1 5 5 GLY N N 15 106.306 0.0585 . 1 . . . . . 5 Gly N . 26844 1 35 . 1 1 6 6 THR H H 1 8.468 0.007 . 1 . . . . . 6 Thr H . 26844 1 36 . 1 1 6 6 THR HA H 1 4.704 0.007 . 1 . . . . . 6 Thr HA . 26844 1 37 . 1 1 6 6 THR HB H 1 4.049 0.007 . 1 . . . . . 6 Thr HB . 26844 1 38 . 1 1 6 6 THR HG21 H 1 1.221 0.007 . 1 . . . . . 6 Thr HG21 . 26844 1 39 . 1 1 6 6 THR HG22 H 1 1.221 0.007 . 1 . . . . . 6 Thr HG22 . 26844 1 40 . 1 1 6 6 THR HG23 H 1 1.221 0.007 . 1 . . . . . 6 Thr HG23 . 26844 1 41 . 1 1 6 6 THR C C 13 176.799 0.456 . 1 . . . . . 6 Thr C . 26844 1 42 . 1 1 6 6 THR CA C 13 61.671 0.547 . 1 . . . . . 6 Thr CA . 26844 1 43 . 1 1 6 6 THR CB C 13 69.957 0.547 . 1 . . . . . 6 Thr CB . 26844 1 44 . 1 1 6 6 THR N N 15 115.546 0.0585 . 1 . . . . . 6 Thr N . 26844 1 45 . 1 1 7 7 LEU H H 1 9.199 0.007 . 1 . . . . . 7 Leu H . 26844 1 46 . 1 1 7 7 LEU HA H 1 5.116 0.007 . 1 . . . . . 7 Leu HA . 26844 1 47 . 1 1 7 7 LEU HB2 H 1 1.507 0.007 . 2 . . . . . 7 Leu HB2 . 26844 1 48 . 1 1 7 7 LEU HB3 H 1 1.474 0.007 . 2 . . . . . 7 Leu HB3 . 26844 1 49 . 1 1 7 7 LEU HG H 1 0.744 0.007 . 1 . . . . . 7 Leu HG . 26844 1 50 . 1 1 7 7 LEU HD11 H 1 0.575 0.007 . 2 . . . . . 7 Leu HD11 . 26844 1 51 . 1 1 7 7 LEU HD12 H 1 0.575 0.007 . 2 . . . . . 7 Leu HD12 . 26844 1 52 . 1 1 7 7 LEU HD13 H 1 0.575 0.007 . 2 . . . . . 7 Leu HD13 . 26844 1 53 . 1 1 7 7 LEU HD21 H 1 0.578 0.007 . 2 . . . . . 7 Leu HD21 . 26844 1 54 . 1 1 7 7 LEU HD22 H 1 0.578 0.007 . 2 . . . . . 7 Leu HD22 . 26844 1 55 . 1 1 7 7 LEU HD23 H 1 0.578 0.007 . 2 . . . . . 7 Leu HD23 . 26844 1 56 . 1 1 7 7 LEU C C 13 174.907 0.456 . 1 . . . . . 7 Leu C . 26844 1 57 . 1 1 7 7 LEU CA C 13 53.502 0.547 . 1 . . . . . 7 Leu CA . 26844 1 58 . 1 1 7 7 LEU CB C 13 43.994 0.547 . 1 . . . . . 7 Leu CB . 26844 1 59 . 1 1 7 7 LEU CG C 13 25.546 0.456 . 1 . . . . . 7 Leu CG . 26844 1 60 . 1 1 7 7 LEU CD1 C 13 23.779 0.456 . 2 . . . . . 7 Leu CD1 . 26844 1 61 . 1 1 7 7 LEU CD2 C 13 23.689 0.456 . 2 . . . . . 7 Leu CD2 . 26844 1 62 . 1 1 7 7 LEU N N 15 127.156 0.0585 . 1 . . . . . 7 Leu N . 26844 1 63 . 1 1 8 8 THR H H 1 8.510 0.007 . 1 . . . . . 8 Thr H . 26844 1 64 . 1 1 8 8 THR HA H 1 5.287 0.007 . 1 . . . . . 8 Thr HA . 26844 1 65 . 1 1 8 8 THR HB H 1 3.718 0.007 . 1 . . . . . 8 Thr HB . 26844 1 66 . 1 1 8 8 THR HG21 H 1 1.127 0.007 . 1 . . . . . 8 Thr HG21 . 26844 1 67 . 1 1 8 8 THR HG22 H 1 1.127 0.007 . 1 . . . . . 8 Thr HG22 . 26844 1 68 . 1 1 8 8 THR HG23 H 1 1.127 0.007 . 1 . . . . . 8 Thr HG23 . 26844 1 69 . 1 1 8 8 THR C C 13 176.423 0.456 . 1 . . . . . 8 Thr C . 26844 1 70 . 1 1 8 8 THR CA C 13 60.434 0.547 . 1 . . . . . 8 Thr CA . 26844 1 71 . 1 1 8 8 THR CB C 13 71.376 0.547 . 1 . . . . . 8 Thr CB . 26844 1 72 . 1 1 8 8 THR CG2 C 13 20.732 0.456 . 1 . . . . . 8 Thr CG2 . 26844 1 73 . 1 1 8 8 THR N N 15 114.315 0.0585 . 1 . . . . . 8 Thr N . 26844 1 74 . 1 1 9 9 VAL H H 1 9.116 0.007 . 1 . . . . . 9 Val H . 26844 1 75 . 1 1 9 9 VAL HA H 1 4.337 0.007 . 1 . . . . . 9 Val HA . 26844 1 76 . 1 1 9 9 VAL HB H 1 2.234 0.007 . 1 . . . . . 9 Val HB . 26844 1 77 . 1 1 9 9 VAL HG11 H 1 1.07 0.007 . 1 . . . . . 9 Val HG11 . 26844 1 78 . 1 1 9 9 VAL HG12 H 1 1.07 0.007 . 1 . . . . . 9 Val HG12 . 26844 1 79 . 1 1 9 9 VAL HG13 H 1 1.07 0.007 . 1 . . . . . 9 Val HG13 . 26844 1 80 . 1 1 9 9 VAL C C 13 174.895 0.456 . 1 . . . . . 9 Val C . 26844 1 81 . 1 1 9 9 VAL CA C 13 64.297 0.547 . 1 . . . . . 9 Val CA . 26844 1 82 . 1 1 9 9 VAL CB C 13 31.407 0.547 . 1 . . . . . 9 Val CB . 26844 1 83 . 1 1 9 9 VAL CG1 C 13 22.58 0.456 . 2 . . . . . 9 Val CG1 . 26844 1 84 . 1 1 9 9 VAL CG2 C 13 22.58 0.456 . 2 . . . . . 9 Val CG2 . 26844 1 85 . 1 1 9 9 VAL N N 15 124.999 0.0585 . 1 . . . . . 9 Val N . 26844 1 86 . 1 1 10 10 LYS H H 1 9.696 0.007 . 1 . . . . . 10 Lys H . 26844 1 87 . 1 1 10 10 LYS HA H 1 4.309 0.007 . 1 . . . . . 10 Lys HA . 26844 1 88 . 1 1 10 10 LYS HB2 H 1 1.600 0.007 . 2 . . . . . 10 Lys HB2 . 26844 1 89 . 1 1 10 10 LYS HB3 H 1 1.515 0.007 . 2 . . . . . 10 Lys HB3 . 26844 1 90 . 1 1 10 10 LYS HG2 H 1 1.396 0.007 . 2 . . . . . 10 Lys HG2 . 26844 1 91 . 1 1 10 10 LYS HG3 H 1 1.327 0.007 . 2 . . . . . 10 Lys HG3 . 26844 1 92 . 1 1 10 10 LYS HD2 H 1 1.448 0.007 . 2 . . . . . 10 Lys HD2 . 26844 1 93 . 1 1 10 10 LYS HD3 H 1 1.405 0.007 . 2 . . . . . 10 Lys HD3 . 26844 1 94 . 1 1 10 10 LYS HE2 H 1 2.868 0.007 . 2 . . . . . 10 Lys HE2 . 26844 1 95 . 1 1 10 10 LYS HE3 H 1 2.910 0.007 . 2 . . . . . 10 Lys HE3 . 26844 1 96 . 1 1 10 10 LYS C C 13 175.518 0.456 . 1 . . . . . 10 Lys C . 26844 1 97 . 1 1 10 10 LYS CA C 13 57.664 0.547 . 1 . . . . . 10 Lys CA . 26844 1 98 . 1 1 10 10 LYS CB C 13 35.772 0.547 . 1 . . . . . 10 Lys CB . 26844 1 99 . 1 1 10 10 LYS CG C 13 25.356 0.456 . 1 . . . . . 10 Lys CG . 26844 1 100 . 1 1 10 10 LYS CD C 13 29.646 0.456 . 1 . . . . . 10 Lys CD . 26844 1 101 . 1 1 10 10 LYS N N 15 132.226 0.0585 . 1 . . . . . 10 Lys N . 26844 1 102 . 1 1 11 11 THR H H 1 7.228 0.007 . 1 . . . . . 11 Thr H . 26844 1 103 . 1 1 11 11 THR HA H 1 4.631 0.007 . 1 . . . . . 11 Thr HA . 26844 1 104 . 1 1 11 11 THR HB H 1 4.315 0.007 . 1 . . . . . 11 Thr HB . 26844 1 105 . 1 1 11 11 THR HG21 H 1 1.172 0.007 . 1 . . . . . 11 Thr HG21 . 26844 1 106 . 1 1 11 11 THR HG22 H 1 1.172 0.007 . 1 . . . . . 11 Thr HG22 . 26844 1 107 . 1 1 11 11 THR HG23 H 1 1.172 0.007 . 1 . . . . . 11 Thr HG23 . 26844 1 108 . 1 1 11 11 THR C C 13 178.677 0.456 . 1 . . . . . 11 Thr C . 26844 1 109 . 1 1 11 11 THR CA C 13 58.689 0.547 . 1 . . . . . 11 Thr CA . 26844 1 110 . 1 1 11 11 THR CB C 13 71.226 0.547 . 1 . . . . . 11 Thr CB . 26844 1 111 . 1 1 11 11 THR CG2 C 13 21.117 0.456 . 1 . . . . . 11 Thr CG2 . 26844 1 112 . 1 1 11 11 THR N N 15 106.993 0.0585 . 1 . . . . . 11 Thr N . 26844 1 113 . 1 1 12 12 GLN H H 1 8.455 0.007 . 1 . . . . . 12 Gln H . 26844 1 114 . 1 1 12 12 GLN HA H 1 4.246 0.007 . 1 . . . . . 12 Gln HA . 26844 1 115 . 1 1 12 12 GLN HB2 H 1 2.092 0.007 . 2 . . . . . 12 Gln HB2 . 26844 1 116 . 1 1 12 12 GLN HB3 H 1 2.066 0.007 . 2 . . . . . 12 Gln HB3 . 26844 1 117 . 1 1 12 12 GLN HG2 H 1 2.497 0.007 . 1 . . . . . 12 Gln HG2 . 26844 1 118 . 1 1 12 12 GLN HE21 H 1 6.842 0.007 . 1 . . . . . 12 Gln HE21 . 26844 1 119 . 1 1 12 12 GLN HE22 H 1 7.368 0.007 . 1 . . . . . 12 Gln HE22 . 26844 1 120 . 1 1 12 12 GLN C C 13 176.501 0.456 . 1 . . . . . 12 Gln C . 26844 1 121 . 1 1 12 12 GLN CA C 13 54.080 0.547 . 1 . . . . . 12 Gln CA . 26844 1 122 . 1 1 12 12 GLN CB C 13 28.141 0.547 . 1 . . . . . 12 Gln CB . 26844 1 123 . 1 1 12 12 GLN CG C 13 33.480 0.456 . 1 . . . . . 12 Gln CG . 26844 1 124 . 1 1 12 12 GLN N N 15 119.123 0.0585 . 1 . . . . . 12 Gln N . 26844 1 125 . 1 1 12 12 GLN NE2 N 15 111.910 0.0585 . 1 . . . . . 12 Gln NE2 . 26844 1 126 . 1 1 13 13 PRO HA H 1 4.978 0.007 . 1 . . . . . 13 Pro HA . 26844 1 127 . 1 1 13 13 PRO HB2 H 1 2.050 0.007 . 2 . . . . . 13 Pro HB2 . 26844 1 128 . 1 1 13 13 PRO HB3 H 1 2.016 0.007 . 2 . . . . . 13 Pro HB3 . 26844 1 129 . 1 1 13 13 PRO HG2 H 1 1.968 0.007 . 2 . . . . . 13 Pro HG2 . 26844 1 130 . 1 1 13 13 PRO HG3 H 1 1.874 0.007 . 2 . . . . . 13 Pro HG3 . 26844 1 131 . 1 1 13 13 PRO HD2 H 1 3.734 0.007 . 2 . . . . . 13 Pro HD2 . 26844 1 132 . 1 1 13 13 PRO HD3 H 1 3.635 0.007 . 2 . . . . . 13 Pro HD3 . 26844 1 133 . 1 1 13 13 PRO C C 13 174.723 0.456 . 1 . . . . . 13 Pro C . 26844 1 134 . 1 1 13 13 PRO CA C 13 62.539 0.547 . 1 . . . . . 13 Pro CA . 26844 1 135 . 1 1 13 13 PRO CB C 13 33.218 0.547 . 1 . . . . . 13 Pro CB . 26844 1 136 . 1 1 13 13 PRO CG C 13 26.937 0.456 . 1 . . . . . 13 Pro CG . 26844 1 137 . 1 1 13 13 PRO CD C 13 50.071 0.456 . 1 . . . . . 13 Pro CD . 26844 1 138 . 1 1 14 14 THR H H 1 8.848 0.007 . 1 . . . . . 14 Thr H . 26844 1 139 . 1 1 14 14 THR HA H 1 4.659 0.007 . 1 . . . . . 14 Thr HA . 26844 1 140 . 1 1 14 14 THR HB H 1 4.098 0.007 . 1 . . . . . 14 Thr HB . 26844 1 141 . 1 1 14 14 THR HG21 H 1 1.205 0.007 . 1 . . . . . 14 Thr HG21 . 26844 1 142 . 1 1 14 14 THR HG22 H 1 1.205 0.007 . 1 . . . . . 14 Thr HG22 . 26844 1 143 . 1 1 14 14 THR HG23 H 1 1.205 0.007 . 1 . . . . . 14 Thr HG23 . 26844 1 144 . 1 1 14 14 THR C C 13 176.700 0.456 . 1 . . . . . 14 Thr C . 26844 1 145 . 1 1 14 14 THR CA C 13 60.920 0.547 . 1 . . . . . 14 Thr CA . 26844 1 146 . 1 1 14 14 THR CB C 13 69.821 0.547 . 1 . . . . . 14 Thr CB . 26844 1 147 . 1 1 14 14 THR CG2 C 13 20.482 0.456 . 1 . . . . . 14 Thr CG2 . 26844 1 148 . 1 1 14 14 THR N N 15 116.541 0.0585 . 1 . . . . . 14 Thr N . 26844 1 149 . 1 1 15 15 VAL H H 1 9.166 0.007 . 1 . . . . . 15 Val H . 26844 1 150 . 1 1 15 15 VAL HA H 1 4.821 0.007 . 1 . . . . . 15 Val HA . 26844 1 151 . 1 1 15 15 VAL HB H 1 2.009 0.007 . 1 . . . . . 15 Val HB . 26844 1 152 . 1 1 15 15 VAL HG11 H 1 1.089 0.007 . 2 . . . . . 15 Val HG11 . 26844 1 153 . 1 1 15 15 VAL HG12 H 1 1.089 0.007 . 2 . . . . . 15 Val HG12 . 26844 1 154 . 1 1 15 15 VAL HG13 H 1 1.089 0.007 . 2 . . . . . 15 Val HG13 . 26844 1 155 . 1 1 15 15 VAL HG21 H 1 1.020 0.007 . 2 . . . . . 15 Val HG21 . 26844 1 156 . 1 1 15 15 VAL HG22 H 1 1.020 0.007 . 2 . . . . . 15 Val HG22 . 26844 1 157 . 1 1 15 15 VAL HG23 H 1 1.020 0.007 . 2 . . . . . 15 Val HG23 . 26844 1 158 . 1 1 15 15 VAL C C 13 175.237 0.456 . 1 . . . . . 15 Val C . 26844 1 159 . 1 1 15 15 VAL CA C 13 61.812 0.547 . 1 . . . . . 15 Val CA . 26844 1 160 . 1 1 15 15 VAL CB C 13 33.075 0.547 . 1 . . . . . 15 Val CB . 26844 1 161 . 1 1 15 15 VAL CG1 C 13 21.290 0.456 . 2 . . . . . 15 Val CG1 . 26844 1 162 . 1 1 15 15 VAL CG2 C 13 22.018 0.456 . 2 . . . . . 15 Val CG2 . 26844 1 163 . 1 1 15 15 VAL N N 15 128.657 0.0585 . 1 . . . . . 15 Val N . 26844 1 164 . 1 1 16 16 THR H H 1 9.327 0.007 . 1 . . . . . 16 Thr H . 26844 1 165 . 1 1 16 16 THR HA H 1 4.715 0.007 . 1 . . . . . 16 Thr HA . 26844 1 166 . 1 1 16 16 THR HB H 1 4.001 0.007 . 1 . . . . . 16 Thr HB . 26844 1 167 . 1 1 16 16 THR HG21 H 1 1.145 0.007 . 1 . . . . . 16 Thr HG21 . 26844 1 168 . 1 1 16 16 THR HG22 H 1 1.145 0.007 . 1 . . . . . 16 Thr HG22 . 26844 1 169 . 1 1 16 16 THR HG23 H 1 1.145 0.007 . 1 . . . . . 16 Thr HG23 . 26844 1 170 . 1 1 16 16 THR C C 13 178.794 0.456 . 1 . . . . . 16 Thr C . 26844 1 171 . 1 1 16 16 THR CA C 13 60.411 0.547 . 1 . . . . . 16 Thr CA . 26844 1 172 . 1 1 16 16 THR CB C 13 71.334 0.547 . 1 . . . . . 16 Thr CB . 26844 1 173 . 1 1 16 16 THR CG2 C 13 20.795 0.456 . 1 . . . . . 16 Thr CG2 . 26844 1 174 . 1 1 16 16 THR N N 15 121.402 0.0585 . 1 . . . . . 16 Thr N . 26844 1 175 . 1 1 17 17 TYR H H 1 8.761 0.007 . 1 . . . . . 17 Tyr H . 26844 1 176 . 1 1 17 17 TYR HA H 1 4.561 0.007 . 1 . . . . . 17 Tyr HA . 26844 1 177 . 1 1 17 17 TYR HB2 H 1 2.636 0.007 . 2 . . . . . 17 Tyr HB2 . 26844 1 178 . 1 1 17 17 TYR HB3 H 1 2.677 0.007 . 2 . . . . . 17 Tyr HB3 . 26844 1 179 . 1 1 17 17 TYR HD1 H 1 7.135 0.007 . 1 . . . . . 17 Tyr HD1 . 26844 1 180 . 1 1 17 17 TYR HD2 H 1 7.135 0.007 . 1 . . . . . 17 Tyr HD2 . 26844 1 181 . 1 1 17 17 TYR HE1 H 1 6.748 0.007 . 1 . . . . . 17 Tyr HE1 . 26844 1 182 . 1 1 17 17 TYR HE2 H 1 6.748 0.007 . 1 . . . . . 17 Tyr HE2 . 26844 1 183 . 1 1 17 17 TYR C C 13 177.129 0.456 . 1 . . . . . 17 Tyr C . 26844 1 184 . 1 1 17 17 TYR CA C 13 55.984 0.547 . 1 . . . . . 17 Tyr CA . 26844 1 185 . 1 1 17 17 TYR CB C 13 39.891 0.547 . 1 . . . . . 17 Tyr CB . 26844 1 186 . 1 1 17 17 TYR N N 15 124.661 0.0585 . 1 . . . . . 17 Tyr N . 26844 1 187 . 1 1 18 18 ASN H H 1 8.344 0.007 . 1 . . . . . 18 Asn H . 26844 1 188 . 1 1 18 18 ASN HA H 1 4.451 0.007 . 1 . . . . . 18 Asn HA . 26844 1 189 . 1 1 18 18 ASN HB2 H 1 2.859 0.007 . 2 . . . . . 18 Asn HB2 . 26844 1 190 . 1 1 18 18 ASN HB3 H 1 2.220 0.007 . 2 . . . . . 18 Asn HB3 . 26844 1 191 . 1 1 18 18 ASN HD21 H 1 7.459 0.007 . 1 . . . . . 18 Asn HD21 . 26844 1 192 . 1 1 18 18 ASN HD22 H 1 6.686 0.007 . 1 . . . . . 18 Asn HD22 . 26844 1 193 . 1 1 18 18 ASN C C 13 176.635 0.456 . 1 . . . . . 18 Asn C . 26844 1 194 . 1 1 18 18 ASN CA C 13 50.992 0.547 . 1 . . . . . 18 Asn CA . 26844 1 195 . 1 1 18 18 ASN CB C 13 37.947 0.547 . 1 . . . . . 18 Asn CB . 26844 1 196 . 1 1 18 18 ASN N N 15 127.463 0.0585 . 1 . . . . . 18 Asn N . 26844 1 197 . 1 1 18 18 ASN ND2 N 15 110.439 0.0585 . 1 . . . . . 18 Asn ND2 . 26844 1 198 . 1 1 19 19 ALA H H 1 8.441 0.007 . 1 . . . . . 19 Ala H . 26844 1 199 . 1 1 19 19 ALA HA H 1 3.612 0.007 . 1 . . . . . 19 Ala HA . 26844 1 200 . 1 1 19 19 ALA HB1 H 1 1.390 0.007 . 1 . . . . . 19 Ala HB1 . 26844 1 201 . 1 1 19 19 ALA HB2 H 1 1.390 0.007 . 1 . . . . . 19 Ala HB2 . 26844 1 202 . 1 1 19 19 ALA HB3 H 1 1.390 0.007 . 1 . . . . . 19 Ala HB3 . 26844 1 203 . 1 1 19 19 ALA C C 13 171.919 0.456 . 1 . . . . . 19 Ala C . 26844 1 204 . 1 1 19 19 ALA CA C 13 53.766 0.547 . 1 . . . . . 19 Ala CA . 26844 1 205 . 1 1 19 19 ALA CB C 13 18.281 0.547 . 1 . . . . . 19 Ala CB . 26844 1 206 . 1 1 19 19 ALA N N 15 126.859 0.0585 . 1 . . . . . 19 Ala N . 26844 1 207 . 1 1 20 20 VAL H H 1 7.740 0.007 . 1 . . . . . 20 Val H . 26844 1 208 . 1 1 20 20 VAL HA H 1 3.623 0.007 . 1 . . . . . 20 Val HA . 26844 1 209 . 1 1 20 20 VAL HB H 1 2.038 0.007 . 1 . . . . . 20 Val HB . 26844 1 210 . 1 1 20 20 VAL HG11 H 1 0.931 0.007 . 2 . . . . . 20 Val HG11 . 26844 1 211 . 1 1 20 20 VAL HG12 H 1 0.931 0.007 . 2 . . . . . 20 Val HG12 . 26844 1 212 . 1 1 20 20 VAL HG13 H 1 0.931 0.007 . 2 . . . . . 20 Val HG13 . 26844 1 213 . 1 1 20 20 VAL HG21 H 1 0.873 0.007 . 2 . . . . . 20 Val HG21 . 26844 1 214 . 1 1 20 20 VAL HG22 H 1 0.873 0.007 . 2 . . . . . 20 Val HG22 . 26844 1 215 . 1 1 20 20 VAL HG23 H 1 0.873 0.007 . 2 . . . . . 20 Val HG23 . 26844 1 216 . 1 1 20 20 VAL C C 13 173.273 0.456 . 1 . . . . . 20 Val C . 26844 1 217 . 1 1 20 20 VAL CA C 13 64.833 0.547 . 1 . . . . . 20 Val CA . 26844 1 218 . 1 1 20 20 VAL CB C 13 31.321 0.547 . 1 . . . . . 20 Val CB . 26844 1 219 . 1 1 20 20 VAL CG1 C 13 20.344 0.456 . 2 . . . . . 20 Val CG1 . 26844 1 220 . 1 1 20 20 VAL CG2 C 13 20.586 0.456 . 2 . . . . . 20 Val CG2 . 26844 1 221 . 1 1 20 20 VAL N N 15 117.883 0.0585 . 1 . . . . . 20 Val N . 26844 1 222 . 1 1 21 21 LYS H H 1 7.015 0.007 . 1 . . . . . 21 Lys H . 26844 1 223 . 1 1 21 21 LYS HA H 1 4.114 0.007 . 1 . . . . . 21 Lys HA . 26844 1 224 . 1 1 21 21 LYS HB2 H 1 1.783 0.007 . 2 . . . . . 21 Lys HB2 . 26844 1 225 . 1 1 21 21 LYS HB3 H 1 1.206 0.007 . 2 . . . . . 21 Lys HB3 . 26844 1 226 . 1 1 21 21 LYS HG2 H 1 1.288 0.007 . 2 . . . . . 21 Lys HG2 . 26844 1 227 . 1 1 21 21 LYS HG3 H 1 1.216 0.007 . 2 . . . . . 21 Lys HG3 . 26844 1 228 . 1 1 21 21 LYS HD2 H 1 1.536 0.007 . 2 . . . . . 21 Lys HD2 . 26844 1 229 . 1 1 21 21 LYS HD3 H 1 1.489 0.007 . 2 . . . . . 21 Lys HD3 . 26844 1 230 . 1 1 21 21 LYS HE2 H 1 2.890 0.007 . 2 . . . . . 21 Lys HE2 . 26844 1 231 . 1 1 21 21 LYS HE3 H 1 2.848 0.007 . 2 . . . . . 21 Lys HE3 . 26844 1 232 . 1 1 21 21 LYS C C 13 175.305 0.456 . 1 . . . . . 21 Lys C . 26844 1 233 . 1 1 21 21 LYS CA C 13 54.697 0.547 . 1 . . . . . 21 Lys CA . 26844 1 234 . 1 1 21 21 LYS CB C 13 32.262 0.547 . 1 . . . . . 21 Lys CB . 26844 1 235 . 1 1 21 21 LYS CG C 13 24.782 0.456 . 1 . . . . . 21 Lys CG . 26844 1 236 . 1 1 21 21 LYS CD C 13 28.265 0.456 . 1 . . . . . 21 Lys CD . 26844 1 237 . 1 1 21 21 LYS CE C 13 41.402 0.456 . 1 . . . . . 21 Lys CE . 26844 1 238 . 1 1 21 21 LYS N N 15 116.471 0.0585 . 1 . . . . . 21 Lys N . 26844 1 239 . 1 1 22 22 ASP H H 1 7.846 0.007 . 1 . . . . . 22 Asp H . 26844 1 240 . 1 1 22 22 ASP HA H 1 4.039 0.007 . 1 . . . . . 22 Asp HA . 26844 1 241 . 1 1 22 22 ASP HB2 H 1 3.157 0.007 . 2 . . . . . 22 Asp HB2 . 26844 1 242 . 1 1 22 22 ASP HB3 H 1 2.356 0.007 . 2 . . . . . 22 Asp HB3 . 26844 1 243 . 1 1 22 22 ASP C C 13 177.213 0.456 . 1 . . . . . 22 Asp C . 26844 1 244 . 1 1 22 22 ASP CA C 13 53.949 0.547 . 1 . . . . . 22 Asp CA . 26844 1 245 . 1 1 22 22 ASP CB C 13 38.524 0.547 . 1 . . . . . 22 Asp CB . 26844 1 246 . 1 1 22 22 ASP N N 15 120.402 0.0585 . 1 . . . . . 22 Asp N . 26844 1 247 . 1 1 23 23 SER H H 1 7.381 0.007 . 1 . . . . . 23 Ser H . 26844 1 248 . 1 1 23 23 SER HA H 1 4.808 0.007 . 1 . . . . . 23 Ser HA . 26844 1 249 . 1 1 23 23 SER HB2 H 1 3.790 0.007 . 2 . . . . . 23 Ser HB2 . 26844 1 250 . 1 1 23 23 SER HB3 H 1 3.548 0.007 . 2 . . . . . 23 Ser HB3 . 26844 1 251 . 1 1 23 23 SER C C 13 178.473 0.456 . 1 . . . . . 23 Ser C . 26844 1 252 . 1 1 23 23 SER CA C 13 56.035 0.547 . 1 . . . . . 23 Ser CA . 26844 1 253 . 1 1 23 23 SER CB C 13 65.902 0.547 . 1 . . . . . 23 Ser CB . 26844 1 254 . 1 1 23 23 SER N N 15 110.318 0.0585 . 1 . . . . . 23 Ser N . 26844 1 255 . 1 1 24 24 TYR H H 1 9.010 0.007 . 1 . . . . . 24 Tyr H . 26844 1 256 . 1 1 24 24 TYR HA H 1 5.239 0.007 . 1 . . . . . 24 Tyr HA . 26844 1 257 . 1 1 24 24 TYR HB2 H 1 2.653 0.007 . 2 . . . . . 24 Tyr HB2 . 26844 1 258 . 1 1 24 24 TYR HB3 H 1 2.891 0.007 . 2 . . . . . 24 Tyr HB3 . 26844 1 259 . 1 1 24 24 TYR HD1 H 1 6.071 0.007 . 1 . . . . . 24 Tyr HD1 . 26844 1 260 . 1 1 24 24 TYR HD2 H 1 6.071 0.007 . 1 . . . . . 24 Tyr HD2 . 26844 1 261 . 1 1 24 24 TYR HE1 H 1 6.451 0.007 . 1 . . . . . 24 Tyr HE1 . 26844 1 262 . 1 1 24 24 TYR HE2 H 1 6.451 0.007 . 1 . . . . . 24 Tyr HE2 . 26844 1 263 . 1 1 24 24 TYR C C 13 174.865 0.456 . 1 . . . . . 24 Tyr C . 26844 1 264 . 1 1 24 24 TYR CA C 13 58.161 0.547 . 1 . . . . . 24 Tyr CA . 26844 1 265 . 1 1 24 24 TYR CB C 13 41.711 0.547 . 1 . . . . . 24 Tyr CB . 26844 1 266 . 1 1 24 24 TYR N N 15 121.789 0.0585 . 1 . . . . . 24 Tyr N . 26844 1 267 . 1 1 25 25 GLN H H 1 9.013 0.007 . 1 . . . . . 25 Gln H . 26844 1 268 . 1 1 25 25 GLN HA H 1 5.584 0.007 . 1 . . . . . 25 Gln HA . 26844 1 269 . 1 1 25 25 GLN HB2 H 1 1.826 0.007 . 2 . . . . . 25 Gln HB2 . 26844 1 270 . 1 1 25 25 GLN HB3 H 1 2.040 0.007 . 2 . . . . . 25 Gln HB3 . 26844 1 271 . 1 1 25 25 GLN HG2 H 1 2.232 0.007 . 1 . . . . . 25 Gln HG2 . 26844 1 272 . 1 1 25 25 GLN HG3 H 1 2.232 0.007 . 1 . . . . . 25 Gln HG3 . 26844 1 273 . 1 1 25 25 GLN HE21 H 1 6.851 0.007 . 1 . . . . . 25 Gln HE21 . 26844 1 274 . 1 1 25 25 GLN HE22 H 1 7.368 0.007 . 1 . . . . . 25 Gln HE22 . 26844 1 275 . 1 1 25 25 GLN C C 13 176.750 0.456 . 1 . . . . . 25 Gln C . 26844 1 276 . 1 1 25 25 GLN CA C 13 54.330 0.547 . 1 . . . . . 25 Gln CA . 26844 1 277 . 1 1 25 25 GLN CB C 13 32.136 0.547 . 1 . . . . . 25 Gln CB . 26844 1 278 . 1 1 25 25 GLN CG C 13 33.511 0.456 . 1 . . . . . 25 Gln CG . 26844 1 279 . 1 1 25 25 GLN N N 15 119.920 0.0585 . 1 . . . . . 25 Gln N . 26844 1 280 . 1 1 25 25 GLN NE2 N 15 111.197 0.0585 . 1 . . . . . 25 Gln NE2 . 26844 1 281 . 1 1 26 26 PHE H H 1 9.372 0.007 . 1 . . . . . 26 Phe H . 26844 1 282 . 1 1 26 26 PHE HA H 1 5.989 0.007 . 1 . . . . . 26 Phe HA . 26844 1 283 . 1 1 26 26 PHE HB2 H 1 2.772 0.007 . 2 . . . . . 26 Phe HB2 . 26844 1 284 . 1 1 26 26 PHE HB3 H 1 3.021 0.007 . 2 . . . . . 26 Phe HB3 . 26844 1 285 . 1 1 26 26 PHE HD1 H 1 7.017 0.007 . 1 . . . . . 26 Phe HD1 . 26844 1 286 . 1 1 26 26 PHE HD2 H 1 7.017 0.007 . 1 . . . . . 26 Phe HD2 . 26844 1 287 . 1 1 26 26 PHE HE1 H 1 6.869 0.007 . 1 . . . . . 26 Phe HE1 . 26844 1 288 . 1 1 26 26 PHE HE2 H 1 6.869 0.007 . 1 . . . . . 26 Phe HE2 . 26844 1 289 . 1 1 26 26 PHE HZ H 1 6.661 0.007 . 1 . . . . . 26 Phe HZ . 26844 1 290 . 1 1 26 26 PHE C C 13 178.786 0.456 . 1 . . . . . 26 Phe C . 26844 1 291 . 1 1 26 26 PHE CA C 13 54.905 0.547 . 1 . . . . . 26 Phe CA . 26844 1 292 . 1 1 26 26 PHE CB C 13 42.311 0.547 . 1 . . . . . 26 Phe CB . 26844 1 293 . 1 1 26 26 PHE N N 15 114.588 0.0585 . 1 . . . . . 26 Phe N . 26844 1 294 . 1 1 27 27 THR H H 1 9.004 0.007 . 1 . . . . . 27 Thr H . 26844 1 295 . 1 1 27 27 THR HA H 1 5.452 0.007 . 1 . . . . . 27 Thr HA . 26844 1 296 . 1 1 27 27 THR HB H 1 3.957 0.007 . 1 . . . . . 27 Thr HB . 26844 1 297 . 1 1 27 27 THR C C 13 177.206 0.456 . 1 . . . . . 27 Thr C . 26844 1 298 . 1 1 27 27 THR CA C 13 60.881 0.547 . 1 . . . . . 27 Thr CA . 26844 1 299 . 1 1 27 27 THR CB C 13 70.780 0.547 . 1 . . . . . 27 Thr CB . 26844 1 300 . 1 1 27 27 THR N N 15 118.895 0.0585 . 1 . . . . . 27 Thr N . 26844 1 301 . 1 1 28 28 VAL H H 1 9.200 0.007 . 1 . . . . . 28 Val H . 26844 1 302 . 1 1 28 28 VAL HA H 1 4.854 0.007 . 1 . . . . . 28 Val HA . 26844 1 303 . 1 1 28 28 VAL HB H 1 1.693 0.007 . 1 . . . . . 28 Val HB . 26844 1 304 . 1 1 28 28 VAL HG11 H 1 0.963 0.007 . 2 . . . . . 28 Val HG11 . 26844 1 305 . 1 1 28 28 VAL HG12 H 1 0.963 0.007 . 2 . . . . . 28 Val HG12 . 26844 1 306 . 1 1 28 28 VAL HG13 H 1 0.963 0.007 . 2 . . . . . 28 Val HG13 . 26844 1 307 . 1 1 28 28 VAL HG21 H 1 0.856 0.007 . 2 . . . . . 28 Val HG21 . 26844 1 308 . 1 1 28 28 VAL HG22 H 1 0.856 0.007 . 2 . . . . . 28 Val HG22 . 26844 1 309 . 1 1 28 28 VAL HG23 H 1 0.856 0.007 . 2 . . . . . 28 Val HG23 . 26844 1 310 . 1 1 28 28 VAL C C 13 178.751 0.456 . 1 . . . . . 28 Val C . 26844 1 311 . 1 1 28 28 VAL CA C 13 58.661 0.547 . 1 . . . . . 28 Val CA . 26844 1 312 . 1 1 28 28 VAL CB C 13 36.340 0.547 . 1 . . . . . 28 Val CB . 26844 1 313 . 1 1 28 28 VAL CG1 C 13 22.874 0.456 . 2 . . . . . 28 Val CG1 . 26844 1 314 . 1 1 28 28 VAL CG2 C 13 20.103 0.456 . 2 . . . . . 28 Val CG2 . 26844 1 315 . 1 1 28 28 VAL N N 15 123.173 0.0585 . 1 . . . . . 28 Val N . 26844 1 316 . 1 1 29 29 THR H H 1 7.979 0.007 . 1 . . . . . 29 Thr H . 26844 1 317 . 1 1 29 29 THR HA H 1 4.178 0.007 . 1 . . . . . 29 Thr HA . 26844 1 318 . 1 1 29 29 THR HB H 1 4.105 0.007 . 1 . . . . . 29 Thr HB . 26844 1 319 . 1 1 29 29 THR C C 13 178.034 0.456 . 1 . . . . . 29 Thr C . 26844 1 320 . 1 1 29 29 THR CA C 13 62.002 0.547 . 1 . . . . . 29 Thr CA . 26844 1 321 . 1 1 29 29 THR CB C 13 68.680 0.547 . 1 . . . . . 29 Thr CB . 26844 1 322 . 1 1 29 29 THR N N 15 120.964 0.0585 . 1 . . . . . 29 Thr N . 26844 1 323 . 1 1 30 30 LEU H H 1 9.718 0.007 . 1 . . . . . 30 Leu H . 26844 1 324 . 1 1 30 30 LEU HA H 1 5.249 0.007 . 1 . . . . . 30 Leu HA . 26844 1 325 . 1 1 30 30 LEU HB2 H 1 1.776 0.007 . 2 . . . . . 30 Leu HB2 . 26844 1 326 . 1 1 30 30 LEU HB3 H 1 1.324 0.007 . 2 . . . . . 30 Leu HB3 . 26844 1 327 . 1 1 30 30 LEU HG H 1 1.777 0.007 . 1 . . . . . 30 Leu HG . 26844 1 328 . 1 1 30 30 LEU HD11 H 1 0.841 0.007 . 2 . . . . . 30 Leu HD11 . 26844 1 329 . 1 1 30 30 LEU HD12 H 1 0.841 0.007 . 2 . . . . . 30 Leu HD12 . 26844 1 330 . 1 1 30 30 LEU HD13 H 1 0.841 0.007 . 2 . . . . . 30 Leu HD13 . 26844 1 331 . 1 1 30 30 LEU HD21 H 1 0.665 0.007 . 2 . . . . . 30 Leu HD21 . 26844 1 332 . 1 1 30 30 LEU HD22 H 1 0.665 0.007 . 2 . . . . . 30 Leu HD22 . 26844 1 333 . 1 1 30 30 LEU HD23 H 1 0.665 0.007 . 2 . . . . . 30 Leu HD23 . 26844 1 334 . 1 1 30 30 LEU C C 13 176.083 0.456 . 1 . . . . . 30 Leu C . 26844 1 335 . 1 1 30 30 LEU CA C 13 51.680 0.547 . 1 . . . . . 30 Leu CA . 26844 1 336 . 1 1 30 30 LEU CB C 13 43.820 0.547 . 1 . . . . . 30 Leu CB . 26844 1 337 . 1 1 30 30 LEU CG C 13 26.816 0.456 . 1 . . . . . 30 Leu CG . 26844 1 338 . 1 1 30 30 LEU CD1 C 13 25.709 0.456 . 2 . . . . . 30 Leu CD1 . 26844 1 339 . 1 1 30 30 LEU CD2 C 13 26.117 0.456 . 2 . . . . . 30 Leu CD2 . 26844 1 340 . 1 1 30 30 LEU N N 15 128.246 0.0585 . 1 . . . . . 30 Leu N . 26844 1 341 . 1 1 31 31 THR H H 1 9.280 0.007 . 1 . . . . . 31 Thr H . 26844 1 342 . 1 1 31 31 THR HA H 1 5.412 0.007 . 1 . . . . . 31 Thr HA . 26844 1 343 . 1 1 31 31 THR HB H 1 3.863 0.007 . 1 . . . . . 31 Thr HB . 26844 1 344 . 1 1 31 31 THR HG21 H 1 1.069 0.007 . 1 . . . . . 31 Thr HG21 . 26844 1 345 . 1 1 31 31 THR HG22 H 1 1.069 0.007 . 1 . . . . . 31 Thr HG22 . 26844 1 346 . 1 1 31 31 THR HG23 H 1 1.069 0.007 . 1 . . . . . 31 Thr HG23 . 26844 1 347 . 1 1 31 31 THR C C 13 177.526 0.456 . 1 . . . . . 31 Thr C . 26844 1 348 . 1 1 31 31 THR CA C 13 59.455 0.547 . 1 . . . . . 31 Thr CA . 26844 1 349 . 1 1 31 31 THR CB C 13 70.359 0.547 . 1 . . . . . 31 Thr CB . 26844 1 350 . 1 1 31 31 THR CG2 C 13 20.236 0.456 . 1 . . . . . 31 Thr CG2 . 26844 1 351 . 1 1 31 31 THR N N 15 113.911 0.0585 . 1 . . . . . 31 Thr N . 26844 1 352 . 1 1 32 32 GLY H H 1 7.993 0.007 . 1 . . . . . 32 Gly H . 26844 1 353 . 1 1 32 32 GLY HA2 H 1 4.694 0.007 . 2 . . . . . 32 Gly HA2 . 26844 1 354 . 1 1 32 32 GLY HA3 H 1 4.673 0.007 . 2 . . . . . 32 Gly HA3 . 26844 1 355 . 1 1 32 32 GLY C C 13 175.301 0.456 . 1 . . . . . 32 Gly C . 26844 1 356 . 1 1 32 32 GLY CA C 13 44.203 0.547 . 1 . . . . . 32 Gly CA . 26844 1 357 . 1 1 32 32 GLY N N 15 109.888 0.0585 . 1 . . . . . 32 Gly N . 26844 1 358 . 1 1 33 33 ALA H H 1 8.639 0.007 . 1 . . . . . 33 Ala H . 26844 1 359 . 1 1 33 33 ALA HA H 1 3.497 0.007 . 1 . . . . . 33 Ala HA . 26844 1 360 . 1 1 33 33 ALA HB1 H 1 -0.033 0.007 . 1 . . . . . 33 Ala HB1 . 26844 1 361 . 1 1 33 33 ALA HB2 H 1 -0.033 0.007 . 1 . . . . . 33 Ala HB2 . 26844 1 362 . 1 1 33 33 ALA HB3 H 1 -0.033 0.007 . 1 . . . . . 33 Ala HB3 . 26844 1 363 . 1 1 33 33 ALA C C 13 174.605 0.456 . 1 . . . . . 33 Ala C . 26844 1 364 . 1 1 33 33 ALA CA C 13 50.654 0.547 . 1 . . . . . 33 Ala CA . 26844 1 365 . 1 1 33 33 ALA CB C 13 18.588 0.547 . 1 . . . . . 33 Ala CB . 26844 1 366 . 1 1 33 33 ALA N N 15 123.949 0.0585 . 1 . . . . . 33 Ala N . 26844 1 367 . 1 1 34 34 THR H H 1 5.962 0.007 . 1 . . . . . 34 Thr H . 26844 1 368 . 1 1 34 34 THR HA H 1 3.896 0.007 . 1 . . . . . 34 Thr HA . 26844 1 369 . 1 1 34 34 THR HB H 1 3.743 0.007 . 1 . . . . . 34 Thr HB . 26844 1 370 . 1 1 34 34 THR HG21 H 1 1.289 0.007 . 1 . . . . . 34 Thr HG21 . 26844 1 371 . 1 1 34 34 THR HG22 H 1 1.289 0.007 . 1 . . . . . 34 Thr HG22 . 26844 1 372 . 1 1 34 34 THR HG23 H 1 1.289 0.007 . 1 . . . . . 34 Thr HG23 . 26844 1 373 . 1 1 34 34 THR C C 13 177.342 0.456 . 1 . . . . . 34 Thr C . 26844 1 374 . 1 1 34 34 THR CA C 13 63.041 0.547 . 1 . . . . . 34 Thr CA . 26844 1 375 . 1 1 34 34 THR CB C 13 68.848 0.547 . 1 . . . . . 34 Thr CB . 26844 1 376 . 1 1 34 34 THR CG2 C 13 21.819 0.456 . 1 . . . . . 34 Thr CG2 . 26844 1 377 . 1 1 34 34 THR N N 15 115.120 0.0585 . 1 . . . . . 34 Thr N . 26844 1 378 . 1 1 35 35 ALA H H 1 8.703 0.007 . 1 . . . . . 35 Ala H . 26844 1 379 . 1 1 35 35 ALA HA H 1 4.154 0.007 . 1 . . . . . 35 Ala HA . 26844 1 380 . 1 1 35 35 ALA HB1 H 1 1.344 0.007 . 1 . . . . . 35 Ala HB1 . 26844 1 381 . 1 1 35 35 ALA HB2 H 1 1.344 0.007 . 1 . . . . . 35 Ala HB2 . 26844 1 382 . 1 1 35 35 ALA HB3 H 1 1.344 0.007 . 1 . . . . . 35 Ala HB3 . 26844 1 383 . 1 1 35 35 ALA C C 13 174.124 0.456 . 1 . . . . . 35 Ala C . 26844 1 384 . 1 1 35 35 ALA CA C 13 52.934 0.547 . 1 . . . . . 35 Ala CA . 26844 1 385 . 1 1 35 35 ALA CB C 13 18.876 0.547 . 1 . . . . . 35 Ala CB . 26844 1 386 . 1 1 35 35 ALA N N 15 130.651 0.0585 . 1 . . . . . 35 Ala N . 26844 1 387 . 1 1 36 36 SER H H 1 7.541 0.007 . 1 . . . . . 36 Ser H . 26844 1 388 . 1 1 36 36 SER HA H 1 3.705 0.007 . 1 . . . . . 36 Ser HA . 26844 1 389 . 1 1 36 36 SER HB2 H 1 3.845 0.007 . 2 . . . . . 36 Ser HB2 . 26844 1 390 . 1 1 36 36 SER HB3 H 1 3.705 0.007 . 2 . . . . . 36 Ser HB3 . 26844 1 391 . 1 1 36 36 SER C C 13 177.166 0.456 . 1 . . . . . 36 Ser C . 26844 1 392 . 1 1 36 36 SER CA C 13 57.641 0.547 . 1 . . . . . 36 Ser CA . 26844 1 393 . 1 1 36 36 SER CB C 13 59.894 0.547 . 1 . . . . . 36 Ser CB . 26844 1 394 . 1 1 36 36 SER N N 15 113.042 0.0585 . 1 . . . . . 36 Ser N . 26844 1 395 . 1 1 37 37 VAL H H 1 8.379 0.007 . 1 . . . . . 37 Val H . 26844 1 396 . 1 1 37 37 VAL HA H 1 4.202 0.007 . 1 . . . . . 37 Val HA . 26844 1 397 . 1 1 37 37 VAL HB H 1 2.089 0.007 . 1 . . . . . 37 Val HB . 26844 1 398 . 1 1 37 37 VAL HG11 H 1 0.823 0.007 . 2 . . . . . 37 Val HG11 . 26844 1 399 . 1 1 37 37 VAL HG12 H 1 0.823 0.007 . 2 . . . . . 37 Val HG12 . 26844 1 400 . 1 1 37 37 VAL HG13 H 1 0.823 0.007 . 2 . . . . . 37 Val HG13 . 26844 1 401 . 1 1 37 37 VAL HG21 H 1 0.820 0.007 . 2 . . . . . 37 Val HG21 . 26844 1 402 . 1 1 37 37 VAL HG22 H 1 0.820 0.007 . 2 . . . . . 37 Val HG22 . 26844 1 403 . 1 1 37 37 VAL HG23 H 1 0.820 0.007 . 2 . . . . . 37 Val HG23 . 26844 1 404 . 1 1 37 37 VAL C C 13 174.336 0.456 . 1 . . . . . 37 Val C . 26844 1 405 . 1 1 37 37 VAL CA C 13 61.021 0.547 . 1 . . . . . 37 Val CA . 26844 1 406 . 1 1 37 37 VAL CB C 13 33.347 0.547 . 1 . . . . . 37 Val CB . 26844 1 407 . 1 1 37 37 VAL CG1 C 13 21.729 0.456 . 2 . . . . . 37 Val CG1 . 26844 1 408 . 1 1 37 37 VAL CG2 C 13 20.956 0.456 . 2 . . . . . 37 Val CG2 . 26844 1 409 . 1 1 37 37 VAL N N 15 121.870 0.0585 . 1 . . . . . 37 Val N . 26844 1 410 . 1 1 38 38 THR H H 1 8.833 0.007 . 1 . . . . . 38 Thr H . 26844 1 411 . 1 1 38 38 THR HA H 1 4.179 0.007 . 1 . . . . . 38 Thr HA . 26844 1 412 . 1 1 38 38 THR HB H 1 3.971 0.007 . 1 . . . . . 38 Thr HB . 26844 1 413 . 1 1 38 38 THR HG21 H 1 1.146 0.007 . 1 . . . . . 38 Thr HG21 . 26844 1 414 . 1 1 38 38 THR HG22 H 1 1.146 0.007 . 1 . . . . . 38 Thr HG22 . 26844 1 415 . 1 1 38 38 THR HG23 H 1 1.146 0.007 . 1 . . . . . 38 Thr HG23 . 26844 1 416 . 1 1 38 38 THR C C 13 175.104 0.456 . 1 . . . . . 38 Thr C . 26844 1 417 . 1 1 38 38 THR CA C 13 61.977 0.547 . 1 . . . . . 38 Thr CA . 26844 1 418 . 1 1 38 38 THR CB C 13 68.088 0.547 . 1 . . . . . 38 Thr CB . 26844 1 419 . 1 1 38 38 THR CG2 C 13 20.750 0.456 . 1 . . . . . 38 Thr CG2 . 26844 1 420 . 1 1 38 38 THR N N 15 126.948 0.0585 . 1 . . . . . 38 Thr N . 26844 1 421 . 1 1 39 39 GLY H H 1 9.563 0.007 . 1 . . . . . 39 Gly H . 26844 1 422 . 1 1 39 39 GLY HA2 H 1 3.661 0.007 . 2 . . . . . 39 Gly HA2 . 26844 1 423 . 1 1 39 39 GLY HA3 H 1 3.497 0.007 . 2 . . . . . 39 Gly HA3 . 26844 1 424 . 1 1 39 39 GLY C C 13 176.603 0.456 . 1 . . . . . 39 Gly C . 26844 1 425 . 1 1 39 39 GLY CA C 13 47.027 0.547 . 1 . . . . . 39 Gly CA . 26844 1 426 . 1 1 39 39 GLY N N 15 117.443 0.0585 . 1 . . . . . 39 Gly N . 26844 1 427 . 1 1 40 40 PHE H H 1 7.695 0.007 . 1 . . . . . 40 Phe H . 26844 1 428 . 1 1 40 40 PHE HA H 1 3.736 0.007 . 1 . . . . . 40 Phe HA . 26844 1 429 . 1 1 40 40 PHE HB2 H 1 3.402 0.007 . 2 . . . . . 40 Phe HB2 . 26844 1 430 . 1 1 40 40 PHE HB3 H 1 2.541 0.007 . 2 . . . . . 40 Phe HB3 . 26844 1 431 . 1 1 40 40 PHE HD1 H 1 7.419 0.007 . 1 . . . . . 40 Phe HD1 . 26844 1 432 . 1 1 40 40 PHE HD2 H 1 7.419 0.007 . 1 . . . . . 40 Phe HD2 . 26844 1 433 . 1 1 40 40 PHE HE1 H 1 7.012 0.007 . 1 . . . . . 40 Phe HE1 . 26844 1 434 . 1 1 40 40 PHE HE2 H 1 7.012 0.007 . 1 . . . . . 40 Phe HE2 . 26844 1 435 . 1 1 40 40 PHE HZ H 1 6.132 0.007 . 1 . . . . . 40 Phe HZ . 26844 1 436 . 1 1 40 40 PHE C C 13 174.685 0.456 . 1 . . . . . 40 Phe C . 26844 1 437 . 1 1 40 40 PHE CA C 13 61.516 0.547 . 1 . . . . . 40 Phe CA . 26844 1 438 . 1 1 40 40 PHE CB C 13 39.390 0.547 . 1 . . . . . 40 Phe CB . 26844 1 439 . 1 1 40 40 PHE N N 15 121.292 0.0585 . 1 . . . . . 40 Phe N . 26844 1 440 . 1 1 41 41 LEU H H 1 7.711 0.007 . 1 . . . . . 41 Leu H . 26844 1 441 . 1 1 41 41 LEU HA H 1 4.394 0.007 . 1 . . . . . 41 Leu HA . 26844 1 442 . 1 1 41 41 LEU HB2 H 1 1.341 0.007 . 2 . . . . . 41 Leu HB2 . 26844 1 443 . 1 1 41 41 LEU HB3 H 1 1.350 0.007 . 2 . . . . . 41 Leu HB3 . 26844 1 444 . 1 1 41 41 LEU HG H 1 0.745 0.007 . 1 . . . . . 41 Leu HG . 26844 1 445 . 1 1 41 41 LEU HD11 H 1 0.747 0.007 . 1 . . . . . 41 Leu HD11 . 26844 1 446 . 1 1 41 41 LEU HD12 H 1 0.747 0.007 . 1 . . . . . 41 Leu HD12 . 26844 1 447 . 1 1 41 41 LEU HD13 H 1 0.747 0.007 . 1 . . . . . 41 Leu HD13 . 26844 1 448 . 1 1 41 41 LEU HD21 H 1 0.747 0.007 . 1 . . . . . 41 Leu HD21 . 26844 1 449 . 1 1 41 41 LEU HD22 H 1 0.747 0.007 . 1 . . . . . 41 Leu HD22 . 26844 1 450 . 1 1 41 41 LEU HD23 H 1 0.747 0.007 . 1 . . . . . 41 Leu HD23 . 26844 1 451 . 1 1 41 41 LEU C C 13 176.543 0.456 . 1 . . . . . 41 Leu C . 26844 1 452 . 1 1 41 41 LEU CA C 13 53.033 0.547 . 1 . . . . . 41 Leu CA . 26844 1 453 . 1 1 41 41 LEU CB C 13 45.573 0.547 . 1 . . . . . 41 Leu CB . 26844 1 454 . 1 1 41 41 LEU CG C 13 26.322 0.456 . 1 . . . . . 41 Leu CG . 26844 1 455 . 1 1 41 41 LEU CD1 C 13 23.434 0.456 . 2 . . . . . 41 Leu CD1 . 26844 1 456 . 1 1 41 41 LEU CD2 C 13 23.385 0.456 . 2 . . . . . 41 Leu CD2 . 26844 1 457 . 1 1 41 41 LEU N N 15 113.096 0.0585 . 1 . . . . . 41 Leu N . 26844 1 458 . 1 1 42 42 LYS H H 1 8.993 0.007 . 1 . . . . . 42 Lys H . 26844 1 459 . 1 1 42 42 LYS HA H 1 4.618 0.007 . 1 . . . . . 42 Lys HA . 26844 1 460 . 1 1 42 42 LYS HB2 H 1 1.579 0.007 . 2 . . . . . 42 Lys HB2 . 26844 1 461 . 1 1 42 42 LYS HB3 H 1 1.521 0.007 . 2 . . . . . 42 Lys HB3 . 26844 1 462 . 1 1 42 42 LYS HG2 H 1 1.333 0.007 . 2 . . . . . 42 Lys HG2 . 26844 1 463 . 1 1 42 42 LYS HG3 H 1 1.191 0.007 . 2 . . . . . 42 Lys HG3 . 26844 1 464 . 1 1 42 42 LYS HD2 H 1 1.593 0.007 . 2 . . . . . 42 Lys HD2 . 26844 1 465 . 1 1 42 42 LYS HD3 H 1 1.494 0.007 . 2 . . . . . 42 Lys HD3 . 26844 1 466 . 1 1 42 42 LYS HE2 H 1 2.728 0.007 . 1 . . . . . 42 Lys HE2 . 26844 1 467 . 1 1 42 42 LYS HE3 H 1 2.728 0.007 . 1 . . . . . 42 Lys HE3 . 26844 1 468 . 1 1 42 42 LYS C C 13 174.786 0.456 . 1 . . . . . 42 Lys C . 26844 1 469 . 1 1 42 42 LYS CA C 13 52.694 0.547 . 1 . . . . . 42 Lys CA . 26844 1 470 . 1 1 42 42 LYS CB C 13 34.498 0.547 . 1 . . . . . 42 Lys CB . 26844 1 471 . 1 1 42 42 LYS CG C 13 24.260 0.456 . 1 . . . . . 42 Lys CG . 26844 1 472 . 1 1 42 42 LYS CD C 13 27.806 0.456 . 1 . . . . . 42 Lys CD . 26844 1 473 . 1 1 42 42 LYS CE C 13 41.665 0.456 . 1 . . . . . 42 Lys CE . 26844 1 474 . 1 1 42 42 LYS N N 15 121.562 0.0585 . 1 . . . . . 42 Lys N . 26844 1 475 . 1 1 43 43 ALA H H 1 8.655 0.007 . 1 . . . . . 43 Ala H . 26844 1 476 . 1 1 43 43 ALA HA H 1 3.677 0.007 . 1 . . . . . 43 Ala HA . 26844 1 477 . 1 1 43 43 ALA HB1 H 1 1.331 0.007 . 1 . . . . . 43 Ala HB1 . 26844 1 478 . 1 1 43 43 ALA HB2 H 1 1.331 0.007 . 1 . . . . . 43 Ala HB2 . 26844 1 479 . 1 1 43 43 ALA HB3 H 1 1.331 0.007 . 1 . . . . . 43 Ala HB3 . 26844 1 480 . 1 1 43 43 ALA C C 13 172.634 0.456 . 1 . . . . . 43 Ala C . 26844 1 481 . 1 1 43 43 ALA CA C 13 52.792 0.547 . 1 . . . . . 43 Ala CA . 26844 1 482 . 1 1 43 43 ALA CB C 13 17.379 0.547 . 1 . . . . . 43 Ala CB . 26844 1 483 . 1 1 43 43 ALA N N 15 121.900 0.0585 . 1 . . . . . 43 Ala N . 26844 1 484 . 1 1 44 44 GLY H H 1 8.940 0.007 . 1 . . . . . 44 Gly H . 26844 1 485 . 1 1 44 44 GLY HA2 H 1 4.092 0.007 . 2 . . . . . 44 Gly HA2 . 26844 1 486 . 1 1 44 44 GLY HA3 H 1 4.049 0.007 . 2 . . . . . 44 Gly HA3 . 26844 1 487 . 1 1 44 44 GLY C C 13 176.050 0.456 . 1 . . . . . 44 Gly C . 26844 1 488 . 1 1 44 44 GLY CA C 13 44.552 0.547 . 1 . . . . . 44 Gly CA . 26844 1 489 . 1 1 44 44 GLY N N 15 112.631 0.0585 . 1 . . . . . 44 Gly N . 26844 1 490 . 1 1 45 45 ASP H H 1 8.664 0.007 . 1 . . . . . 45 Asp H . 26844 1 491 . 1 1 45 45 ASP HA H 1 4.539 0.007 . 1 . . . . . 45 Asp HA . 26844 1 492 . 1 1 45 45 ASP HB2 H 1 2.514 0.007 . 2 . . . . . 45 Asp HB2 . 26844 1 493 . 1 1 45 45 ASP HB3 H 1 2.408 0.007 . 2 . . . . . 45 Asp HB3 . 26844 1 494 . 1 1 45 45 ASP C C 13 176.253 0.456 . 1 . . . . . 45 Asp C . 26844 1 495 . 1 1 45 45 ASP CA C 13 55.531 0.547 . 1 . . . . . 45 Asp CA . 26844 1 496 . 1 1 45 45 ASP CB C 13 40.432 0.547 . 1 . . . . . 45 Asp CB . 26844 1 497 . 1 1 45 45 ASP N N 15 123.429 0.0585 . 1 . . . . . 45 Asp N . 26844 1 498 . 1 1 46 46 GLN H H 1 8.710 0.007 . 1 . . . . . 46 Gln H . 26844 1 499 . 1 1 46 46 GLN HA H 1 5.156 0.007 . 1 . . . . . 46 Gln HA . 26844 1 500 . 1 1 46 46 GLN HB2 H 1 1.787 0.007 . 2 . . . . . 46 Gln HB2 . 26844 1 501 . 1 1 46 46 GLN HB3 H 1 1.713 0.007 . 2 . . . . . 46 Gln HB3 . 26844 1 502 . 1 1 46 46 GLN HG2 H 1 2.228 0.007 . 2 . . . . . 46 Gln HG2 . 26844 1 503 . 1 1 46 46 GLN HG3 H 1 2.167 0.007 . 2 . . . . . 46 Gln HG3 . 26844 1 504 . 1 1 46 46 GLN HE21 H 1 6.887 0.007 . 1 . . . . . 46 Gln HE21 . 26844 1 505 . 1 1 46 46 GLN HE22 H 1 7.299 0.007 . 1 . . . . . 46 Gln HE22 . 26844 1 506 . 1 1 46 46 GLN C C 13 175.705 0.456 . 1 . . . . . 46 Gln C . 26844 1 507 . 1 1 46 46 GLN CA C 13 53.987 0.547 . 1 . . . . . 46 Gln CA . 26844 1 508 . 1 1 46 46 GLN CB C 13 31.324 0.547 . 1 . . . . . 46 Gln CB . 26844 1 509 . 1 1 46 46 GLN CG C 13 33.985 0.456 . 1 . . . . . 46 Gln CG . 26844 1 510 . 1 1 46 46 GLN N N 15 118.848 0.0585 . 1 . . . . . 46 Gln N . 26844 1 511 . 1 1 46 46 GLN NE2 N 15 111.714 0.0585 . 1 . . . . . 46 Gln NE2 . 26844 1 512 . 1 1 47 47 VAL H H 1 8.996 0.007 . 1 . . . . . 47 Val H . 26844 1 513 . 1 1 47 47 VAL HA H 1 4.953 0.007 . 1 . . . . . 47 Val HA . 26844 1 514 . 1 1 47 47 VAL HB H 1 1.719 0.007 . 1 . . . . . 47 Val HB . 26844 1 515 . 1 1 47 47 VAL HG11 H 1 0.477 0.007 . 2 . . . . . 47 Val HG11 . 26844 1 516 . 1 1 47 47 VAL HG12 H 1 0.477 0.007 . 2 . . . . . 47 Val HG12 . 26844 1 517 . 1 1 47 47 VAL HG13 H 1 0.477 0.007 . 2 . . . . . 47 Val HG13 . 26844 1 518 . 1 1 47 47 VAL HG21 H 1 0.608 0.007 . 2 . . . . . 47 Val HG21 . 26844 1 519 . 1 1 47 47 VAL HG22 H 1 0.608 0.007 . 2 . . . . . 47 Val HG22 . 26844 1 520 . 1 1 47 47 VAL HG23 H 1 0.608 0.007 . 2 . . . . . 47 Val HG23 . 26844 1 521 . 1 1 47 47 VAL C C 13 178.373 0.456 . 1 . . . . . 47 Val C . 26844 1 522 . 1 1 47 47 VAL CA C 13 58.285 0.547 . 1 . . . . . 47 Val CA . 26844 1 523 . 1 1 47 47 VAL CB C 13 33.680 0.547 . 1 . . . . . 47 Val CB . 26844 1 524 . 1 1 47 47 VAL CG1 C 13 22.005 0.456 . 2 . . . . . 47 Val CG1 . 26844 1 525 . 1 1 47 47 VAL CG2 C 13 20.827 0.456 . 2 . . . . . 47 Val CG2 . 26844 1 526 . 1 1 47 47 VAL N N 15 117.696 0.0585 . 1 . . . . . 47 Val N . 26844 1 527 . 1 1 48 48 LYS H H 1 9.215 0.007 . 1 . . . . . 48 Lys H . 26844 1 528 . 1 1 48 48 LYS HA H 1 5.178 0.007 . 1 . . . . . 48 Lys HA . 26844 1 529 . 1 1 48 48 LYS HB2 H 1 1.398 0.007 . 2 . . . . . 48 Lys HB2 . 26844 1 530 . 1 1 48 48 LYS HB3 H 1 1.499 0.007 . 2 . . . . . 48 Lys HB3 . 26844 1 531 . 1 1 48 48 LYS HG2 H 1 1.390 0.007 . 2 . . . . . 48 Lys HG2 . 26844 1 532 . 1 1 48 48 LYS HG3 H 1 1.357 0.007 . 2 . . . . . 48 Lys HG3 . 26844 1 533 . 1 1 48 48 LYS HD2 H 1 1.480 0.007 . 2 . . . . . 48 Lys HD2 . 26844 1 534 . 1 1 48 48 LYS HD3 H 1 1.508 0.007 . 2 . . . . . 48 Lys HD3 . 26844 1 535 . 1 1 48 48 LYS HE2 H 1 2.765 0.007 . 2 . . . . . 48 Lys HE2 . 26844 1 536 . 1 1 48 48 LYS HE3 H 1 2.875 0.007 . 2 . . . . . 48 Lys HE3 . 26844 1 537 . 1 1 48 48 LYS C C 13 175.544 0.456 . 1 . . . . . 48 Lys C . 26844 1 538 . 1 1 48 48 LYS CA C 13 53.859 0.547 . 1 . . . . . 48 Lys CA . 26844 1 539 . 1 1 48 48 LYS CB C 13 35.775 0.547 . 1 . . . . . 48 Lys CB . 26844 1 540 . 1 1 48 48 LYS CG C 13 24.627 0.456 . 1 . . . . . 48 Lys CG . 26844 1 541 . 1 1 48 48 LYS CD C 13 29.162 0.456 . 1 . . . . . 48 Lys CD . 26844 1 542 . 1 1 48 48 LYS CE C 13 41.415 0.456 . 1 . . . . . 48 Lys CE . 26844 1 543 . 1 1 48 48 LYS N N 15 124.794 0.0585 . 1 . . . . . 48 Lys N . 26844 1 544 . 1 1 49 49 PHE H H 1 9.118 0.007 . 1 . . . . . 49 Phe H . 26844 1 545 . 1 1 49 49 PHE HA H 1 5.025 0.007 . 1 . . . . . 49 Phe HA . 26844 1 546 . 1 1 49 49 PHE HB2 H 1 3.083 0.007 . 2 . . . . . 49 Phe HB2 . 26844 1 547 . 1 1 49 49 PHE HB3 H 1 3.011 0.007 . 2 . . . . . 49 Phe HB3 . 26844 1 548 . 1 1 49 49 PHE C C 13 175.339 0.456 . 1 . . . . . 49 Phe C . 26844 1 549 . 1 1 49 49 PHE CA C 13 56.309 0.547 . 1 . . . . . 49 Phe CA . 26844 1 550 . 1 1 49 49 PHE CB C 13 40.619 0.547 . 1 . . . . . 49 Phe CB . 26844 1 551 . 1 1 49 49 PHE N N 15 128.989 0.0585 . 1 . . . . . 49 Phe N . 26844 1 552 . 1 1 50 50 THR H H 1 9.362 0.007 . 1 . . . . . 50 Thr H . 26844 1 553 . 1 1 50 50 THR HA H 1 5.077 0.007 . 1 . . . . . 50 Thr HA . 26844 1 554 . 1 1 50 50 THR HB H 1 3.851 0.007 . 1 . . . . . 50 Thr HB . 26844 1 555 . 1 1 50 50 THR HG21 H 1 1.079 0.007 . 1 . . . . . 50 Thr HG21 . 26844 1 556 . 1 1 50 50 THR HG22 H 1 1.079 0.007 . 1 . . . . . 50 Thr HG22 . 26844 1 557 . 1 1 50 50 THR HG23 H 1 1.079 0.007 . 1 . . . . . 50 Thr HG23 . 26844 1 558 . 1 1 50 50 THR C C 13 177.660 0.456 . 1 . . . . . 50 Thr C . 26844 1 559 . 1 1 50 50 THR CA C 13 61.463 0.547 . 1 . . . . . 50 Thr CA . 26844 1 560 . 1 1 50 50 THR CB C 13 70.850 0.547 . 1 . . . . . 50 Thr CB . 26844 1 561 . 1 1 50 50 THR CG2 C 13 21.029 0.456 . 1 . . . . . 50 Thr CG2 . 26844 1 562 . 1 1 50 50 THR N N 15 118.186 0.0585 . 1 . . . . . 50 Thr N . 26844 1 563 . 1 1 51 51 ASN H H 1 7.883 0.007 . 1 . . . . . 51 Asn H . 26844 1 564 . 1 1 51 51 ASN HA H 1 4.642 0.007 . 1 . . . . . 51 Asn HA . 26844 1 565 . 1 1 51 51 ASN HB2 H 1 3.147 0.007 . 2 . . . . . 51 Asn HB2 . 26844 1 566 . 1 1 51 51 ASN HB3 H 1 3.185 0.007 . 2 . . . . . 51 Asn HB3 . 26844 1 567 . 1 1 51 51 ASN C C 13 175.443 0.456 . 1 . . . . . 51 Asn C . 26844 1 568 . 1 1 51 51 ASN CA C 13 53.114 0.547 . 1 . . . . . 51 Asn CA . 26844 1 569 . 1 1 51 51 ASN CB C 13 38.353 0.547 . 1 . . . . . 51 Asn CB . 26844 1 570 . 1 1 51 51 ASN N N 15 125.439 0.0585 . 1 . . . . . 51 Asn N . 26844 1 571 . 1 1 52 52 THR H H 1 8.233 0.007 . 1 . . . . . 52 Thr H . 26844 1 572 . 1 1 52 52 THR C C 13 173.917 0.456 . 1 . . . . . 52 Thr C . 26844 1 573 . 1 1 52 52 THR CA C 13 60.487 0.547 . 1 . . . . . 52 Thr CA . 26844 1 574 . 1 1 52 52 THR CB C 13 67.562 0.547 . 1 . . . . . 52 Thr CB . 26844 1 575 . 1 1 52 52 THR N N 15 117.246 0.0585 . 1 . . . . . 52 Thr N . 26844 1 576 . 1 1 53 53 TYR H H 1 8.110 0.007 . 1 . . . . . 53 Tyr H . 26844 1 577 . 1 1 53 53 TYR HA H 1 4.121 0.007 . 1 . . . . . 53 Tyr HA . 26844 1 578 . 1 1 53 53 TYR HB2 H 1 2.880 0.007 . 2 . . . . . 53 Tyr HB2 . 26844 1 579 . 1 1 53 53 TYR HB3 H 1 2.898 0.007 . 2 . . . . . 53 Tyr HB3 . 26844 1 580 . 1 1 53 53 TYR HD1 H 1 7.002 0.007 . 1 . . . . . 53 Tyr HD1 . 26844 1 581 . 1 1 53 53 TYR HD2 H 1 7.002 0.007 . 1 . . . . . 53 Tyr HD2 . 26844 1 582 . 1 1 53 53 TYR HE1 H 1 7.415 0.007 . 1 . . . . . 53 Tyr HE1 . 26844 1 583 . 1 1 53 53 TYR HE2 H 1 7.415 0.007 . 1 . . . . . 53 Tyr HE2 . 26844 1 584 . 1 1 53 53 TYR C C 13 175.222 0.456 . 1 . . . . . 53 Tyr C . 26844 1 585 . 1 1 53 53 TYR CA C 13 54.917 0.547 . 1 . . . . . 53 Tyr CA . 26844 1 586 . 1 1 53 53 TYR CB C 13 41.911 0.547 . 1 . . . . . 53 Tyr CB . 26844 1 587 . 1 1 53 53 TYR N N 15 120.465 0.0585 . 1 . . . . . 53 Tyr N . 26844 1 588 . 1 1 54 54 TRP H H 1 8.137 0.007 . 1 . . . . . 54 Trp H . 26844 1 589 . 1 1 54 54 TRP HA H 1 4.114 0.007 . 1 . . . . . 54 Trp HA . 26844 1 590 . 1 1 54 54 TRP HB2 H 1 1.912 0.007 . 2 . . . . . 54 Trp HB2 . 26844 1 591 . 1 1 54 54 TRP HB3 H 1 1.935 0.007 . 2 . . . . . 54 Trp HB3 . 26844 1 592 . 1 1 54 54 TRP C C 13 175.364 0.456 . 1 . . . . . 54 Trp C . 26844 1 593 . 1 1 54 54 TRP CA C 13 56.047 0.547 . 1 . . . . . 54 Trp CA . 26844 1 594 . 1 1 54 54 TRP CB C 13 29.871 0.547 . 1 . . . . . 54 Trp CB . 26844 1 595 . 1 1 54 54 TRP N N 15 117.968 0.0585 . 1 . . . . . 54 Trp N . 26844 1 596 . 1 1 55 55 LEU H H 1 8.191 0.007 . 1 . . . . . 55 Leu H . 26844 1 597 . 1 1 55 55 LEU HA H 1 4.198 0.007 . 1 . . . . . 55 Leu HA . 26844 1 598 . 1 1 55 55 LEU HB2 H 1 1.547 0.007 . 2 . . . . . 55 Leu HB2 . 26844 1 599 . 1 1 55 55 LEU HB3 H 1 1.539 0.007 . 2 . . . . . 55 Leu HB3 . 26844 1 600 . 1 1 55 55 LEU HG H 1 1.470 0.007 . 1 . . . . . 55 Leu HG . 26844 1 601 . 1 1 55 55 LEU HD11 H 1 0.829 0.007 . 2 . . . . . 55 Leu HD11 . 26844 1 602 . 1 1 55 55 LEU HD12 H 1 0.829 0.007 . 2 . . . . . 55 Leu HD12 . 26844 1 603 . 1 1 55 55 LEU HD13 H 1 0.829 0.007 . 2 . . . . . 55 Leu HD13 . 26844 1 604 . 1 1 55 55 LEU HD21 H 1 0.733 0.007 . 2 . . . . . 55 Leu HD21 . 26844 1 605 . 1 1 55 55 LEU HD22 H 1 0.733 0.007 . 2 . . . . . 55 Leu HD22 . 26844 1 606 . 1 1 55 55 LEU HD23 H 1 0.733 0.007 . 2 . . . . . 55 Leu HD23 . 26844 1 607 . 1 1 55 55 LEU C C 13 173.568 0.456 . 1 . . . . . 55 Leu C . 26844 1 608 . 1 1 55 55 LEU CA C 13 54.973 0.547 . 1 . . . . . 55 Leu CA . 26844 1 609 . 1 1 55 55 LEU CB C 13 41.832 0.547 . 1 . . . . . 55 Leu CB . 26844 1 610 . 1 1 55 55 LEU CG C 13 26.598 0.456 . 1 . . . . . 55 Leu CG . 26844 1 611 . 1 1 55 55 LEU CD1 C 13 24.477 0.456 . 2 . . . . . 55 Leu CD1 . 26844 1 612 . 1 1 55 55 LEU CD2 C 13 23.157 0.456 . 2 . . . . . 55 Leu CD2 . 26844 1 613 . 1 1 55 55 LEU N N 15 120.334 0.0585 . 1 . . . . . 55 Leu N . 26844 1 614 . 1 1 56 56 GLN H H 1 8.127 0.007 . 1 . . . . . 56 Gln H . 26844 1 615 . 1 1 56 56 GLN HA H 1 4.055 0.007 . 1 . . . . . 56 Gln HA . 26844 1 616 . 1 1 56 56 GLN HB2 H 1 2.041 0.007 . 2 . . . . . 56 Gln HB2 . 26844 1 617 . 1 1 56 56 GLN HB3 H 1 1.997 0.007 . 2 . . . . . 56 Gln HB3 . 26844 1 618 . 1 1 56 56 GLN HE21 H 1 6.717 0.007 . 1 . . . . . 56 Gln HE21 . 26844 1 619 . 1 1 56 56 GLN HE22 H 1 6.907 0.007 . 1 . . . . . 56 Gln HE22 . 26844 1 620 . 1 1 56 56 GLN C C 13 173.343 0.456 . 1 . . . . . 56 Gln C . 26844 1 621 . 1 1 56 56 GLN CA C 13 57.069 0.547 . 1 . . . . . 56 Gln CA . 26844 1 622 . 1 1 56 56 GLN CB C 13 28.024 0.547 . 1 . . . . . 56 Gln CB . 26844 1 623 . 1 1 56 56 GLN N N 15 117.942 0.0585 . 1 . . . . . 56 Gln N . 26844 1 624 . 1 1 56 56 GLN NE2 N 15 112.878 0.0585 . 1 . . . . . 56 Gln NE2 . 26844 1 625 . 1 1 57 57 GLN H H 1 7.763 0.007 . 1 . . . . . 57 Gln H . 26844 1 626 . 1 1 57 57 GLN HA H 1 3.991 0.007 . 1 . . . . . 57 Gln HA . 26844 1 627 . 1 1 57 57 GLN HB2 H 1 1.801 0.007 . 2 . . . . . 57 Gln HB2 . 26844 1 628 . 1 1 57 57 GLN HB3 H 1 1.943 0.007 . 2 . . . . . 57 Gln HB3 . 26844 1 629 . 1 1 57 57 GLN HG2 H 1 2.009 0.007 . 2 . . . . . 57 Gln HG2 . 26844 1 630 . 1 1 57 57 GLN HG3 H 1 1.944 0.007 . 2 . . . . . 57 Gln HG3 . 26844 1 631 . 1 1 57 57 GLN HE21 H 1 6.851 0.007 . 1 . . . . . 57 Gln HE21 . 26844 1 632 . 1 1 57 57 GLN HE22 H 1 7.359 0.007 . 1 . . . . . 57 Gln HE22 . 26844 1 633 . 1 1 57 57 GLN C C 13 173.773 0.456 . 1 . . . . . 57 Gln C . 26844 1 634 . 1 1 57 57 GLN CA C 13 56.110 0.547 . 1 . . . . . 57 Gln CA . 26844 1 635 . 1 1 57 57 GLN CB C 13 28.160 0.547 . 1 . . . . . 57 Gln CB . 26844 1 636 . 1 1 57 57 GLN CG C 13 32.823 0.456 . 1 . . . . . 57 Gln CG . 26844 1 637 . 1 1 57 57 GLN N N 15 117.886 0.0585 . 1 . . . . . 57 Gln N . 26844 1 638 . 1 1 57 57 GLN NE2 N 15 111.548 0.0585 . 1 . . . . . 57 Gln NE2 . 26844 1 639 . 1 1 58 58 GLN H H 1 7.867 0.007 . 1 . . . . . 58 Gln H . 26844 1 640 . 1 1 58 58 GLN HA H 1 4.018 0.007 . 1 . . . . . 58 Gln HA . 26844 1 641 . 1 1 58 58 GLN HB2 H 1 1.836 0.007 . 2 . . . . . 58 Gln HB2 . 26844 1 642 . 1 1 58 58 GLN HB3 H 1 1.889 0.007 . 2 . . . . . 58 Gln HB3 . 26844 1 643 . 1 1 58 58 GLN HG2 H 1 1.828 0.007 . 1 . . . . . 58 Gln HG2 . 26844 1 644 . 1 1 58 58 GLN HG3 H 1 1.828 0.007 . 1 . . . . . 58 Gln HG3 . 26844 1 645 . 1 1 58 58 GLN HE21 H 1 6.518 0.007 . 1 . . . . . 58 Gln HE21 . 26844 1 646 . 1 1 58 58 GLN HE22 H 1 6.798 0.007 . 1 . . . . . 58 Gln HE22 . 26844 1 647 . 1 1 58 58 GLN C C 13 173.949 0.456 . 1 . . . . . 58 Gln C . 26844 1 648 . 1 1 58 58 GLN CA C 13 56.075 0.547 . 1 . . . . . 58 Gln CA . 26844 1 649 . 1 1 58 58 GLN CB C 13 28.287 0.547 . 1 . . . . . 58 Gln CB . 26844 1 650 . 1 1 58 58 GLN CG C 13 32.823 0.456 . 1 . . . . . 58 Gln CG . 26844 1 651 . 1 1 58 58 GLN N N 15 118.473 0.0585 . 1 . . . . . 58 Gln N . 26844 1 652 . 1 1 58 58 GLN NE2 N 15 112.077 0.0585 . 1 . . . . . 58 Gln NE2 . 26844 1 653 . 1 1 59 59 THR H H 1 7.850 0.007 . 1 . . . . . 59 Thr H . 26844 1 654 . 1 1 59 59 THR C C 13 175.756 0.456 . 1 . . . . . 59 Thr C . 26844 1 655 . 1 1 59 59 THR CA C 13 62.560 0.547 . 1 . . . . . 59 Thr CA . 26844 1 656 . 1 1 59 59 THR CB C 13 69.069 0.547 . 1 . . . . . 59 Thr CB . 26844 1 657 . 1 1 59 59 THR N N 15 112.499 0.0585 . 1 . . . . . 59 Thr N . 26844 1 658 . 1 1 60 60 LYS H H 1 7.996 0.007 . 1 . . . . . 60 Lys H . 26844 1 659 . 1 1 60 60 LYS HA H 1 4.173 0.007 . 1 . . . . . 60 Lys HA . 26844 1 660 . 1 1 60 60 LYS HB2 H 1 1.804 0.007 . 2 . . . . . 60 Lys HB2 . 26844 1 661 . 1 1 60 60 LYS HB3 H 1 1.754 0.007 . 2 . . . . . 60 Lys HB3 . 26844 1 662 . 1 1 60 60 LYS HG2 H 1 1.403 0.007 . 2 . . . . . 60 Lys HG2 . 26844 1 663 . 1 1 60 60 LYS HG3 H 1 1.350 0.007 . 2 . . . . . 60 Lys HG3 . 26844 1 664 . 1 1 60 60 LYS HD2 H 1 1.608 0.007 . 2 . . . . . 60 Lys HD2 . 26844 1 665 . 1 1 60 60 LYS HD3 H 1 1.565 0.007 . 2 . . . . . 60 Lys HD3 . 26844 1 666 . 1 1 60 60 LYS HE2 H 1 3.291 0.007 . 2 . . . . . 60 Lys HE2 . 26844 1 667 . 1 1 60 60 LYS HE3 H 1 3.257 0.007 . 2 . . . . . 60 Lys HE3 . 26844 1 668 . 1 1 60 60 LYS C C 13 173.980 0.456 . 1 . . . . . 60 Lys C . 26844 1 669 . 1 1 60 60 LYS CA C 13 57.072 0.547 . 1 . . . . . 60 Lys CA . 26844 1 670 . 1 1 60 60 LYS CB C 13 31.963 0.547 . 1 . . . . . 60 Lys CB . 26844 1 671 . 1 1 60 60 LYS CG C 13 24.621 0.456 . 1 . . . . . 60 Lys CG . 26844 1 672 . 1 1 60 60 LYS CD C 13 28.548 0.456 . 1 . . . . . 60 Lys CD . 26844 1 673 . 1 1 60 60 LYS CE C 13 41.983 0.456 . 1 . . . . . 60 Lys CE . 26844 1 674 . 1 1 60 60 LYS N N 15 121.017 0.0585 . 1 . . . . . 60 Lys N . 26844 1 675 . 1 1 61 61 GLN H H 1 7.972 0.007 . 1 . . . . . 61 Gln H . 26844 1 676 . 1 1 61 61 GLN HA H 1 4.224 0.007 . 1 . . . . . 61 Gln HA . 26844 1 677 . 1 1 61 61 GLN HB2 H 1 2.059 0.007 . 2 . . . . . 61 Gln HB2 . 26844 1 678 . 1 1 61 61 GLN HB3 H 1 1.999 0.007 . 2 . . . . . 61 Gln HB3 . 26844 1 679 . 1 1 61 61 GLN HG2 H 1 2.307 0.007 . 2 . . . . . 61 Gln HG2 . 26844 1 680 . 1 1 61 61 GLN HG3 H 1 2.280 0.007 . 2 . . . . . 61 Gln HG3 . 26844 1 681 . 1 1 61 61 GLN HE21 H 1 7.477 0.007 . 1 . . . . . 61 Gln HE21 . 26844 1 682 . 1 1 61 61 GLN HE22 H 1 6.853 0.007 . 1 . . . . . 61 Gln HE22 . 26844 1 683 . 1 1 61 61 GLN C C 13 175.269 0.456 . 1 . . . . . 61 Gln C . 26844 1 684 . 1 1 61 61 GLN CA C 13 55.909 0.547 . 1 . . . . . 61 Gln CA . 26844 1 685 . 1 1 61 61 GLN CB C 13 28.708 0.547 . 1 . . . . . 61 Gln CB . 26844 1 686 . 1 1 61 61 GLN CG C 13 33.481 0.456 . 1 . . . . . 61 Gln CG . 26844 1 687 . 1 1 61 61 GLN N N 15 118.273 0.0585 . 1 . . . . . 61 Gln N . 26844 1 688 . 1 1 61 61 GLN NE2 N 15 111.469 0.0585 . 1 . . . . . 61 Gln NE2 . 26844 1 689 . 1 1 62 62 ALA H H 1 8.114 0.007 . 1 . . . . . 62 Ala H . 26844 1 690 . 1 1 62 62 ALA HA H 1 4.183 0.007 . 1 . . . . . 62 Ala HA . 26844 1 691 . 1 1 62 62 ALA HB1 H 1 1.352 0.007 . 1 . . . . . 62 Ala HB1 . 26844 1 692 . 1 1 62 62 ALA HB2 H 1 1.352 0.007 . 1 . . . . . 62 Ala HB2 . 26844 1 693 . 1 1 62 62 ALA HB3 H 1 1.352 0.007 . 1 . . . . . 62 Ala HB3 . 26844 1 694 . 1 1 62 62 ALA C C 13 173.179 0.456 . 1 . . . . . 62 Ala C . 26844 1 695 . 1 1 62 62 ALA CA C 13 52.710 0.547 . 1 . . . . . 62 Ala CA . 26844 1 696 . 1 1 62 62 ALA CB C 13 18.273 0.547 . 1 . . . . . 62 Ala CB . 26844 1 697 . 1 1 62 62 ALA N N 15 123.361 0.0585 . 1 . . . . . 62 Ala N . 26844 1 698 . 1 1 63 63 LEU H H 1 7.953 0.007 . 1 . . . . . 63 Leu H . 26844 1 699 . 1 1 63 63 LEU HA H 1 4.185 0.007 . 1 . . . . . 63 Leu HA . 26844 1 700 . 1 1 63 63 LEU HB2 H 1 1.527 0.007 . 2 . . . . . 63 Leu HB2 . 26844 1 701 . 1 1 63 63 LEU HB3 H 1 1.491 0.007 . 2 . . . . . 63 Leu HB3 . 26844 1 702 . 1 1 63 63 LEU HG H 1 1.535 0.007 . 1 . . . . . 63 Leu HG . 26844 1 703 . 1 1 63 63 LEU HD11 H 1 0.838 0.007 . 2 . . . . . 63 Leu HD11 . 26844 1 704 . 1 1 63 63 LEU HD12 H 1 0.838 0.007 . 2 . . . . . 63 Leu HD12 . 26844 1 705 . 1 1 63 63 LEU HD13 H 1 0.838 0.007 . 2 . . . . . 63 Leu HD13 . 26844 1 706 . 1 1 63 63 LEU HD21 H 1 0.771 0.007 . 2 . . . . . 63 Leu HD21 . 26844 1 707 . 1 1 63 63 LEU HD22 H 1 0.771 0.007 . 2 . . . . . 63 Leu HD22 . 26844 1 708 . 1 1 63 63 LEU HD23 H 1 0.771 0.007 . 2 . . . . . 63 Leu HD23 . 26844 1 709 . 1 1 63 63 LEU C C 13 173.625 0.456 . 1 . . . . . 63 Leu C . 26844 1 710 . 1 1 63 63 LEU CA C 13 54.977 0.547 . 1 . . . . . 63 Leu CA . 26844 1 711 . 1 1 63 63 LEU CB C 13 41.787 0.547 . 1 . . . . . 63 Leu CB . 26844 1 712 . 1 1 63 63 LEU CG C 13 26.692 0.456 . 1 . . . . . 63 Leu CG . 26844 1 713 . 1 1 63 63 LEU CD1 C 13 24.526 0.456 . 2 . . . . . 63 Leu CD1 . 26844 1 714 . 1 1 63 63 LEU CD2 C 13 23.184 0.456 . 2 . . . . . 63 Leu CD2 . 26844 1 715 . 1 1 63 63 LEU N N 15 119.154 0.0585 . 1 . . . . . 63 Leu N . 26844 1 716 . 1 1 64 64 TYR H H 1 8.018 0.007 . 1 . . . . . 64 Tyr H . 26844 1 717 . 1 1 64 64 TYR HA H 1 4.457 0.007 . 1 . . . . . 64 Tyr HA . 26844 1 718 . 1 1 64 64 TYR HB2 H 1 2.755 0.007 . 2 . . . . . 64 Tyr HB2 . 26844 1 719 . 1 1 64 64 TYR HB3 H 1 2.788 0.007 . 2 . . . . . 64 Tyr HB3 . 26844 1 720 . 1 1 64 64 TYR HD1 H 1 6.957 0.007 . 1 . . . . . 64 Tyr HD1 . 26844 1 721 . 1 1 64 64 TYR HD2 H 1 6.957 0.007 . 1 . . . . . 64 Tyr HD2 . 26844 1 722 . 1 1 64 64 TYR HE1 H 1 6.677 0.007 . 1 . . . . . 64 Tyr HE1 . 26844 1 723 . 1 1 64 64 TYR HE2 H 1 6.677 0.007 . 1 . . . . . 64 Tyr HE2 . 26844 1 724 . 1 1 64 64 TYR C C 13 175.220 0.456 . 1 . . . . . 64 Tyr C . 26844 1 725 . 1 1 64 64 TYR CA C 13 57.649 0.547 . 1 . . . . . 64 Tyr CA . 26844 1 726 . 1 1 64 64 TYR CB C 13 37.965 0.547 . 1 . . . . . 64 Tyr CB . 26844 1 727 . 1 1 64 64 TYR N N 15 119.705 0.0585 . 1 . . . . . 64 Tyr N . 26844 1 728 . 1 1 65 65 ASN H H 1 8.244 0.007 . 1 . . . . . 65 Asn H . 26844 1 729 . 1 1 65 65 ASN HA H 1 4.640 0.007 . 1 . . . . . 65 Asn HA . 26844 1 730 . 1 1 65 65 ASN HB2 H 1 2.752 0.007 . 2 . . . . . 65 Asn HB2 . 26844 1 731 . 1 1 65 65 ASN HB3 H 1 2.691 0.007 . 2 . . . . . 65 Asn HB3 . 26844 1 732 . 1 1 65 65 ASN HD21 H 1 6.880 0.007 . 1 . . . . . 65 Asn HD21 . 26844 1 733 . 1 1 65 65 ASN HD22 H 1 7.546 0.007 . 1 . . . . . 65 Asn HD22 . 26844 1 734 . 1 1 65 65 ASN C C 13 175.442 0.456 . 1 . . . . . 65 Asn C . 26844 1 735 . 1 1 65 65 ASN CA C 13 52.736 0.547 . 1 . . . . . 65 Asn CA . 26844 1 736 . 1 1 65 65 ASN CB C 13 38.265 0.547 . 1 . . . . . 65 Asn CB . 26844 1 737 . 1 1 65 65 ASN N N 15 120.449 0.0585 . 1 . . . . . 65 Asn N . 26844 1 738 . 1 1 65 65 ASN ND2 N 15 112.003 0.0585 . 1 . . . . . 65 Asn ND2 . 26844 1 739 . 1 1 66 66 GLY H H 1 7.804 0.007 . 1 . . . . . 66 Gly H . 26844 1 740 . 1 1 66 66 GLY HA2 H 1 3.869 0.007 . 2 . . . . . 66 Gly HA2 . 26844 1 741 . 1 1 66 66 GLY HA3 H 1 3.824 0.007 . 2 . . . . . 66 Gly HA3 . 26844 1 742 . 1 1 66 66 GLY C C 13 177.141 0.456 . 1 . . . . . 66 Gly C . 26844 1 743 . 1 1 66 66 GLY CA C 13 45.038 0.547 . 1 . . . . . 66 Gly CA . 26844 1 744 . 1 1 66 66 GLY N N 15 108.635 0.0585 . 1 . . . . . 66 Gly N . 26844 1 745 . 1 1 67 67 ALA H H 1 7.946 0.007 . 1 . . . . . 67 Ala H . 26844 1 746 . 1 1 67 67 ALA HA H 1 4.333 0.007 . 1 . . . . . 67 Ala HA . 26844 1 747 . 1 1 67 67 ALA HB1 H 1 1.277 0.007 . 1 . . . . . 67 Ala HB1 . 26844 1 748 . 1 1 67 67 ALA HB2 H 1 1.277 0.007 . 1 . . . . . 67 Ala HB2 . 26844 1 749 . 1 1 67 67 ALA HB3 H 1 1.277 0.007 . 1 . . . . . 67 Ala HB3 . 26844 1 750 . 1 1 67 67 ALA C C 13 173.917 0.456 . 1 . . . . . 67 Ala C . 26844 1 751 . 1 1 67 67 ALA CA C 13 51.921 0.547 . 1 . . . . . 67 Ala CA . 26844 1 752 . 1 1 67 67 ALA CB C 13 19.048 0.547 . 1 . . . . . 67 Ala CB . 26844 1 753 . 1 1 67 67 ALA N N 15 123.199 0.0585 . 1 . . . . . 67 Ala N . 26844 1 754 . 1 1 68 68 THR H H 1 8.185 0.007 . 1 . . . . . 68 Thr H . 26844 1 755 . 1 1 68 68 THR HA H 1 4.529 0.007 . 1 . . . . . 68 Thr HA . 26844 1 756 . 1 1 68 68 THR HB H 1 4.069 0.007 . 1 . . . . . 68 Thr HB . 26844 1 757 . 1 1 68 68 THR HG21 H 1 1.131 0.007 . 1 . . . . . 68 Thr HG21 . 26844 1 758 . 1 1 68 68 THR HG22 H 1 1.131 0.007 . 1 . . . . . 68 Thr HG22 . 26844 1 759 . 1 1 68 68 THR HG23 H 1 1.131 0.007 . 1 . . . . . 68 Thr HG23 . 26844 1 760 . 1 1 68 68 THR C C 13 178.592 0.456 . 1 . . . . . 68 Thr C . 26844 1 761 . 1 1 68 68 THR CA C 13 59.241 0.547 . 1 . . . . . 68 Thr CA . 26844 1 762 . 1 1 68 68 THR CB C 13 69.363 0.547 . 1 . . . . . 68 Thr CB . 26844 1 763 . 1 1 68 68 THR CG2 C 13 20.432 0.456 . 1 . . . . . 68 Thr CG2 . 26844 1 764 . 1 1 68 68 THR N N 15 116.432 0.0585 . 1 . . . . . 68 Thr N . 26844 1 765 . 1 1 70 70 ILE CA C 13 60.298 0.547 . 1 . . . . . 70 Ile CA . 26844 1 766 . 1 1 70 70 ILE CB C 13 38.202 0.547 . 1 . . . . . 70 Ile CB . 26844 1 767 . 1 1 71 71 SER H H 1 8.237 0.007 . 1 . . . . . 71 Ser H . 26844 1 768 . 1 1 71 71 SER HA H 1 6.173 0.007 . 1 . . . . . 71 Ser HA . 26844 1 769 . 1 1 71 71 SER HB2 H 1 3.801 0.007 . 2 . . . . . 71 Ser HB2 . 26844 1 770 . 1 1 71 71 SER HB3 H 1 3.720 0.007 . 2 . . . . . 71 Ser HB3 . 26844 1 771 . 1 1 71 71 SER C C 13 177.000 0.456 . 1 . . . . . 71 Ser C . 26844 1 772 . 1 1 71 71 SER CA C 13 57.032 0.547 . 1 . . . . . 71 Ser CA . 26844 1 773 . 1 1 71 71 SER CB C 13 67.562 0.547 . 1 . . . . . 71 Ser CB . 26844 1 774 . 1 1 71 71 SER N N 15 116.868 0.0585 . 1 . . . . . 71 Ser N . 26844 1 775 . 1 1 72 72 PHE H H 1 8.743 0.007 . 1 . . . . . 72 Phe H . 26844 1 776 . 1 1 72 72 PHE HA H 1 5.111 0.007 . 1 . . . . . 72 Phe HA . 26844 1 777 . 1 1 72 72 PHE HB2 H 1 3.265 0.007 . 2 . . . . . 72 Phe HB2 . 26844 1 778 . 1 1 72 72 PHE HB3 H 1 3.297 0.007 . 2 . . . . . 72 Phe HB3 . 26844 1 779 . 1 1 72 72 PHE HD1 H 1 6.926 0.007 . 1 . . . . . 72 Phe HD1 . 26844 1 780 . 1 1 72 72 PHE HD2 H 1 6.926 0.007 . 1 . . . . . 72 Phe HD2 . 26844 1 781 . 1 1 72 72 PHE HE1 H 1 6.343 0.007 . 1 . . . . . 72 Phe HE1 . 26844 1 782 . 1 1 72 72 PHE HE2 H 1 6.343 0.007 . 1 . . . . . 72 Phe HE2 . 26844 1 783 . 1 1 72 72 PHE HZ H 1 5.887 0.007 . 1 . . . . . 72 Phe HZ . 26844 1 784 . 1 1 72 72 PHE C C 13 178.285 0.456 . 1 . . . . . 72 Phe C . 26844 1 785 . 1 1 72 72 PHE CA C 13 57.078 0.547 . 1 . . . . . 72 Phe CA . 26844 1 786 . 1 1 72 72 PHE CB C 13 41.274 0.547 . 1 . . . . . 72 Phe CB . 26844 1 787 . 1 1 72 72 PHE N N 15 117.791 0.0585 . 1 . . . . . 72 Phe N . 26844 1 788 . 1 1 73 73 THR H H 1 8.756 0.007 . 1 . . . . . 73 Thr H . 26844 1 789 . 1 1 73 73 THR HA H 1 5.503 0.007 . 1 . . . . . 73 Thr HA . 26844 1 790 . 1 1 73 73 THR HB H 1 3.964 0.007 . 1 . . . . . 73 Thr HB . 26844 1 791 . 1 1 73 73 THR HG21 H 1 1.049 0.007 . 1 . . . . . 73 Thr HG21 . 26844 1 792 . 1 1 73 73 THR HG22 H 1 1.049 0.007 . 1 . . . . . 73 Thr HG22 . 26844 1 793 . 1 1 73 73 THR HG23 H 1 1.049 0.007 . 1 . . . . . 73 Thr HG23 . 26844 1 794 . 1 1 73 73 THR C C 13 177.702 0.456 . 1 . . . . . 73 Thr C . 26844 1 795 . 1 1 73 73 THR CA C 13 60.405 0.547 . 1 . . . . . 73 Thr CA . 26844 1 796 . 1 1 73 73 THR CB C 13 70.384 0.547 . 1 . . . . . 73 Thr CB . 26844 1 797 . 1 1 73 73 THR CG2 C 13 20.697 0.456 . 1 . . . . . 73 Thr CG2 . 26844 1 798 . 1 1 73 73 THR N N 15 115.934 0.0585 . 1 . . . . . 73 Thr N . 26844 1 799 . 1 1 74 74 ALA H H 1 9.427 0.007 . 1 . . . . . 74 Ala H . 26844 1 800 . 1 1 74 74 ALA HA H 1 5.074 0.007 . 1 . . . . . 74 Ala HA . 26844 1 801 . 1 1 74 74 ALA HB1 H 1 1.699 0.007 . 1 . . . . . 74 Ala HB1 . 26844 1 802 . 1 1 74 74 ALA HB2 H 1 1.699 0.007 . 1 . . . . . 74 Ala HB2 . 26844 1 803 . 1 1 74 74 ALA HB3 H 1 1.699 0.007 . 1 . . . . . 74 Ala HB3 . 26844 1 804 . 1 1 74 74 ALA C C 13 175.786 0.456 . 1 . . . . . 74 Ala C . 26844 1 805 . 1 1 74 74 ALA CA C 13 50.434 0.547 . 1 . . . . . 74 Ala CA . 26844 1 806 . 1 1 74 74 ALA CB C 13 23.740 0.547 . 1 . . . . . 74 Ala CB . 26844 1 807 . 1 1 74 74 ALA N N 15 128.061 0.0585 . 1 . . . . . 74 Ala N . 26844 1 808 . 1 1 75 75 THR H H 1 8.506 0.007 . 1 . . . . . 75 Thr H . 26844 1 809 . 1 1 75 75 THR HA H 1 4.933 0.007 . 1 . . . . . 75 Thr HA . 26844 1 810 . 1 1 75 75 THR HB H 1 3.905 0.007 . 1 . . . . . 75 Thr HB . 26844 1 811 . 1 1 75 75 THR HG21 H 1 1.118 0.007 . 1 . . . . . 75 Thr HG21 . 26844 1 812 . 1 1 75 75 THR HG22 H 1 1.118 0.007 . 1 . . . . . 75 Thr HG22 . 26844 1 813 . 1 1 75 75 THR HG23 H 1 1.118 0.007 . 1 . . . . . 75 Thr HG23 . 26844 1 814 . 1 1 75 75 THR C C 13 176.975 0.456 . 1 . . . . . 75 Thr C . 26844 1 815 . 1 1 75 75 THR CA C 13 61.503 0.547 . 1 . . . . . 75 Thr CA . 26844 1 816 . 1 1 75 75 THR CB C 13 69.761 0.547 . 1 . . . . . 75 Thr CB . 26844 1 817 . 1 1 75 75 THR CG2 C 13 20.910 0.456 . 1 . . . . . 75 Thr CG2 . 26844 1 818 . 1 1 75 75 THR N N 15 116.017 0.0585 . 1 . . . . . 75 Thr N . 26844 1 819 . 1 1 76 76 VAL H H 1 9.202 0.007 . 1 . . . . . 76 Val H . 26844 1 820 . 1 1 76 76 VAL HA H 1 4.046 0.007 . 1 . . . . . 76 Val HA . 26844 1 821 . 1 1 76 76 VAL HB H 1 2.203 0.007 . 1 . . . . . 76 Val HB . 26844 1 822 . 1 1 76 76 VAL HG11 H 1 0.810 0.007 . 2 . . . . . 76 Val HG11 . 26844 1 823 . 1 1 76 76 VAL HG12 H 1 0.810 0.007 . 2 . . . . . 76 Val HG12 . 26844 1 824 . 1 1 76 76 VAL HG13 H 1 0.810 0.007 . 2 . . . . . 76 Val HG13 . 26844 1 825 . 1 1 76 76 VAL HG21 H 1 0.779 0.007 . 2 . . . . . 76 Val HG21 . 26844 1 826 . 1 1 76 76 VAL HG22 H 1 0.779 0.007 . 2 . . . . . 76 Val HG22 . 26844 1 827 . 1 1 76 76 VAL HG23 H 1 0.779 0.007 . 2 . . . . . 76 Val HG23 . 26844 1 828 . 1 1 76 76 VAL C C 13 172.550 0.456 . 1 . . . . . 76 Val C . 26844 1 829 . 1 1 76 76 VAL CA C 13 63.086 0.547 . 1 . . . . . 76 Val CA . 26844 1 830 . 1 1 76 76 VAL CB C 13 31.905 0.547 . 1 . . . . . 76 Val CB . 26844 1 831 . 1 1 76 76 VAL CG1 C 13 23.095 0.456 . 2 . . . . . 76 Val CG1 . 26844 1 832 . 1 1 76 76 VAL CG2 C 13 22.698 0.456 . 2 . . . . . 76 Val CG2 . 26844 1 833 . 1 1 76 76 VAL N N 15 128.350 0.0585 . 1 . . . . . 76 Val N . 26844 1 834 . 1 1 77 77 THR H H 1 9.073 0.007 . 1 . . . . . 77 Thr H . 26844 1 835 . 1 1 77 77 THR HA H 1 4.238 0.007 . 1 . . . . . 77 Thr HA . 26844 1 836 . 1 1 77 77 THR HB H 1 4.112 0.007 . 1 . . . . . 77 Thr HB . 26844 1 837 . 1 1 77 77 THR HG21 H 1 1.173 0.007 . 1 . . . . . 77 Thr HG21 . 26844 1 838 . 1 1 77 77 THR HG22 H 1 1.173 0.007 . 1 . . . . . 77 Thr HG22 . 26844 1 839 . 1 1 77 77 THR HG23 H 1 1.173 0.007 . 1 . . . . . 77 Thr HG23 . 26844 1 840 . 1 1 77 77 THR C C 13 176.484 0.456 . 1 . . . . . 77 Thr C . 26844 1 841 . 1 1 77 77 THR CA C 13 63.097 0.547 . 1 . . . . . 77 Thr CA . 26844 1 842 . 1 1 77 77 THR CB C 13 68.613 0.547 . 1 . . . . . 77 Thr CB . 26844 1 843 . 1 1 77 77 THR CG2 C 13 21.078 0.456 . 1 . . . . . 77 Thr CG2 . 26844 1 844 . 1 1 77 77 THR N N 15 120.092 0.0585 . 1 . . . . . 77 Thr N . 26844 1 845 . 1 1 78 78 ALA H H 1 7.062 0.007 . 1 . . . . . 78 Ala H . 26844 1 846 . 1 1 78 78 ALA HA H 1 4.546 0.007 . 1 . . . . . 78 Ala HA . 26844 1 847 . 1 1 78 78 ALA HB1 H 1 1.342 0.007 . 1 . . . . . 78 Ala HB1 . 26844 1 848 . 1 1 78 78 ALA HB2 H 1 1.342 0.007 . 1 . . . . . 78 Ala HB2 . 26844 1 849 . 1 1 78 78 ALA HB3 H 1 1.342 0.007 . 1 . . . . . 78 Ala HB3 . 26844 1 850 . 1 1 78 78 ALA C C 13 176.483 0.456 . 1 . . . . . 78 Ala C . 26844 1 851 . 1 1 78 78 ALA CA C 13 51.057 0.547 . 1 . . . . . 78 Ala CA . 26844 1 852 . 1 1 78 78 ALA CB C 13 21.340 0.547 . 1 . . . . . 78 Ala CB . 26844 1 853 . 1 1 78 78 ALA N N 15 123.162 0.0585 . 1 . . . . . 78 Ala N . 26844 1 854 . 1 1 79 79 ASP H H 1 8.702 0.007 . 1 . . . . . 79 Asp H . 26844 1 855 . 1 1 79 79 ASP HA H 1 4.560 0.007 . 1 . . . . . 79 Asp HA . 26844 1 856 . 1 1 79 79 ASP HB2 H 1 2.630 0.007 . 2 . . . . . 79 Asp HB2 . 26844 1 857 . 1 1 79 79 ASP HB3 H 1 2.590 0.007 . 2 . . . . . 79 Asp HB3 . 26844 1 858 . 1 1 79 79 ASP C C 13 175.290 0.456 . 1 . . . . . 79 Asp C . 26844 1 859 . 1 1 79 79 ASP CA C 13 54.442 0.547 . 1 . . . . . 79 Asp CA . 26844 1 860 . 1 1 79 79 ASP CB C 13 40.154 0.547 . 1 . . . . . 79 Asp CB . 26844 1 861 . 1 1 79 79 ASP N N 15 121.868 0.0585 . 1 . . . . . 79 Asp N . 26844 1 862 . 1 1 80 80 ALA H H 1 9.186 0.007 . 1 . . . . . 80 Ala H . 26844 1 863 . 1 1 80 80 ALA HA H 1 4.799 0.007 . 1 . . . . . 80 Ala HA . 26844 1 864 . 1 1 80 80 ALA HB1 H 1 1.363 0.007 . 1 . . . . . 80 Ala HB1 . 26844 1 865 . 1 1 80 80 ALA HB2 H 1 1.363 0.007 . 1 . . . . . 80 Ala HB2 . 26844 1 866 . 1 1 80 80 ALA HB3 H 1 1.363 0.007 . 1 . . . . . 80 Ala HB3 . 26844 1 867 . 1 1 80 80 ALA C C 13 175.193 0.456 . 1 . . . . . 80 Ala C . 26844 1 868 . 1 1 80 80 ALA CA C 13 50.528 0.547 . 1 . . . . . 80 Ala CA . 26844 1 869 . 1 1 80 80 ALA CB C 13 23.179 0.547 . 1 . . . . . 80 Ala CB . 26844 1 870 . 1 1 80 80 ALA N N 15 124.490 0.0585 . 1 . . . . . 80 Ala N . 26844 1 871 . 1 1 81 81 ASN H H 1 9.068 0.007 . 1 . . . . . 81 Asn H . 26844 1 872 . 1 1 81 81 ASN HA H 1 5.418 0.007 . 1 . . . . . 81 Asn HA . 26844 1 873 . 1 1 81 81 ASN HB2 H 1 2.994 0.007 . 2 . . . . . 81 Asn HB2 . 26844 1 874 . 1 1 81 81 ASN HB3 H 1 2.814 0.007 . 2 . . . . . 81 Asn HB3 . 26844 1 875 . 1 1 81 81 ASN HD21 H 1 7.247 0.007 . 1 . . . . . 81 Asn HD21 . 26844 1 876 . 1 1 81 81 ASN HD22 H 1 7.124 0.007 . 1 . . . . . 81 Asn HD22 . 26844 1 877 . 1 1 81 81 ASN C C 13 175.268 0.456 . 1 . . . . . 81 Asn C . 26844 1 878 . 1 1 81 81 ASN CA C 13 50.953 0.547 . 1 . . . . . 81 Asn CA . 26844 1 879 . 1 1 81 81 ASN CB C 13 39.052 0.547 . 1 . . . . . 81 Asn CB . 26844 1 880 . 1 1 81 81 ASN N N 15 120.634 0.0585 . 1 . . . . . 81 Asn N . 26844 1 881 . 1 1 81 81 ASN ND2 N 15 114.199 0.0585 . 1 . . . . . 81 Asn ND2 . 26844 1 882 . 1 1 82 82 SER H H 1 9.285 0.007 . 1 . . . . . 82 Ser H . 26844 1 883 . 1 1 82 82 SER HA H 1 5.195 0.007 . 1 . . . . . 82 Ser HA . 26844 1 884 . 1 1 82 82 SER HB2 H 1 3.801 0.007 . 1 . . . . . 82 Ser HB2 . 26844 1 885 . 1 1 82 82 SER HB3 H 1 2.988 0.007 . 1 . . . . . 82 Ser HB3 . 26844 1 886 . 1 1 82 82 SER C C 13 176.473 0.456 . 1 . . . . . 82 Ser C . 26844 1 887 . 1 1 82 82 SER CA C 13 54.898 0.547 . 1 . . . . . 82 Ser CA . 26844 1 888 . 1 1 82 82 SER CB C 13 65.315 0.547 . 1 . . . . . 82 Ser CB . 26844 1 889 . 1 1 82 82 SER N N 15 118.110 0.0585 . 1 . . . . . 82 Ser N . 26844 1 890 . 1 1 83 83 ASP H H 1 8.801 0.007 . 1 . . . . . 83 Asp H . 26844 1 891 . 1 1 83 83 ASP HA H 1 4.839 0.007 . 1 . . . . . 83 Asp HA . 26844 1 892 . 1 1 83 83 ASP HB2 H 1 2.756 0.007 . 2 . . . . . 83 Asp HB2 . 26844 1 893 . 1 1 83 83 ASP HB3 H 1 2.735 0.007 . 2 . . . . . 83 Asp HB3 . 26844 1 894 . 1 1 83 83 ASP C C 13 170.878 0.456 . 1 . . . . . 83 Asp C . 26844 1 895 . 1 1 83 83 ASP CA C 13 51.601 0.547 . 1 . . . . . 83 Asp CA . 26844 1 896 . 1 1 83 83 ASP CB C 13 41.617 0.547 . 1 . . . . . 83 Asp CB . 26844 1 897 . 1 1 83 83 ASP N N 15 122.136 0.0585 . 1 . . . . . 83 Asp N . 26844 1 898 . 1 1 84 84 SER H H 1 8.553 0.007 . 1 . . . . . 84 Ser H . 26844 1 899 . 1 1 84 84 SER HA H 1 4.276 0.007 . 1 . . . . . 84 Ser HA . 26844 1 900 . 1 1 84 84 SER HB2 H 1 3.798 0.007 . 2 . . . . . 84 Ser HB2 . 26844 1 901 . 1 1 84 84 SER HB3 H 1 3.969 0.007 . 2 . . . . . 84 Ser HB3 . 26844 1 902 . 1 1 84 84 SER C C 13 176.070 0.456 . 1 . . . . . 84 Ser C . 26844 1 903 . 1 1 84 84 SER CA C 13 60.446 0.547 . 1 . . . . . 84 Ser CA . 26844 1 904 . 1 1 84 84 SER CB C 13 62.026 0.547 . 1 . . . . . 84 Ser CB . 26844 1 905 . 1 1 84 84 SER N N 15 114.564 0.0585 . 1 . . . . . 84 Ser N . 26844 1 906 . 1 1 85 85 GLY H H 1 8.364 0.007 . 1 . . . . . 85 Gly H . 26844 1 907 . 1 1 85 85 GLY HA2 H 1 4.376 0.007 . 2 . . . . . 85 Gly HA2 . 26844 1 908 . 1 1 85 85 GLY HA3 H 1 4.417 0.007 . 2 . . . . . 85 Gly HA3 . 26844 1 909 . 1 1 85 85 GLY C C 13 175.838 0.456 . 1 . . . . . 85 Gly C . 26844 1 910 . 1 1 85 85 GLY CA C 13 44.050 0.547 . 1 . . . . . 85 Gly CA . 26844 1 911 . 1 1 85 85 GLY N N 15 110.091 0.0585 . 1 . . . . . 85 Gly N . 26844 1 912 . 1 1 86 86 GLY H H 1 7.983 0.007 . 1 . . . . . 86 Gly H . 26844 1 913 . 1 1 86 86 GLY HA2 H 1 4.184 0.007 . 2 . . . . . 86 Gly HA2 . 26844 1 914 . 1 1 86 86 GLY HA3 H 1 4.226 0.007 . 2 . . . . . 86 Gly HA3 . 26844 1 915 . 1 1 86 86 GLY C C 13 175.486 0.456 . 1 . . . . . 86 Gly C . 26844 1 916 . 1 1 86 86 GLY CA C 13 45.726 0.547 . 1 . . . . . 86 Gly CA . 26844 1 917 . 1 1 86 86 GLY N N 15 108.392 0.0585 . 1 . . . . . 86 Gly N . 26844 1 918 . 1 1 87 87 ASP H H 1 8.220 0.007 . 1 . . . . . 87 Asp H . 26844 1 919 . 1 1 87 87 ASP HA H 1 5.627 0.007 . 1 . . . . . 87 Asp HA . 26844 1 920 . 1 1 87 87 ASP HB2 H 1 3.010 0.007 . 2 . . . . . 87 Asp HB2 . 26844 1 921 . 1 1 87 87 ASP HB3 H 1 2.236 0.007 . 2 . . . . . 87 Asp HB3 . 26844 1 922 . 1 1 87 87 ASP C C 13 174.099 0.456 . 1 . . . . . 87 Asp C . 26844 1 923 . 1 1 87 87 ASP CA C 13 52.117 0.547 . 1 . . . . . 87 Asp CA . 26844 1 924 . 1 1 87 87 ASP CB C 13 40.263 0.547 . 1 . . . . . 87 Asp CB . 26844 1 925 . 1 1 87 87 ASP N N 15 120.454 0.0585 . 1 . . . . . 87 Asp N . 26844 1 926 . 1 1 88 88 VAL H H 1 9.016 0.007 . 1 . . . . . 88 Val H . 26844 1 927 . 1 1 88 88 VAL HA H 1 4.529 0.007 . 1 . . . . . 88 Val HA . 26844 1 928 . 1 1 88 88 VAL HB H 1 1.440 0.007 . 1 . . . . . 88 Val HB . 26844 1 929 . 1 1 88 88 VAL HG11 H 1 0.653 0.007 . 2 . . . . . 88 Val HG11 . 26844 1 930 . 1 1 88 88 VAL HG12 H 1 0.653 0.007 . 2 . . . . . 88 Val HG12 . 26844 1 931 . 1 1 88 88 VAL HG13 H 1 0.653 0.007 . 2 . . . . . 88 Val HG13 . 26844 1 932 . 1 1 88 88 VAL HG21 H 1 0.744 0.007 . 2 . . . . . 88 Val HG21 . 26844 1 933 . 1 1 88 88 VAL HG22 H 1 0.744 0.007 . 2 . . . . . 88 Val HG22 . 26844 1 934 . 1 1 88 88 VAL HG23 H 1 0.744 0.007 . 2 . . . . . 88 Val HG23 . 26844 1 935 . 1 1 88 88 VAL C C 13 178.214 0.456 . 1 . . . . . 88 Val C . 26844 1 936 . 1 1 88 88 VAL CA C 13 59.351 0.547 . 1 . . . . . 88 Val CA . 26844 1 937 . 1 1 88 88 VAL CB C 13 34.596 0.547 . 1 . . . . . 88 Val CB . 26844 1 938 . 1 1 88 88 VAL CG1 C 13 21.703 0.456 . 2 . . . . . 88 Val CG1 . 26844 1 939 . 1 1 88 88 VAL CG2 C 13 19.531 0.456 . 2 . . . . . 88 Val CG2 . 26844 1 940 . 1 1 88 88 VAL N N 15 118.709 0.0585 . 1 . . . . . 88 Val N . 26844 1 941 . 1 1 89 89 THR H H 1 9.319 0.007 . 1 . . . . . 89 Thr H . 26844 1 942 . 1 1 89 89 THR HA H 1 5.088 0.007 . 1 . . . . . 89 Thr HA . 26844 1 943 . 1 1 89 89 THR HB H 1 3.909 0.007 . 1 . . . . . 89 Thr HB . 26844 1 944 . 1 1 89 89 THR HG21 H 1 1.049 0.007 . 1 . . . . . 89 Thr HG21 . 26844 1 945 . 1 1 89 89 THR HG22 H 1 1.049 0.007 . 1 . . . . . 89 Thr HG22 . 26844 1 946 . 1 1 89 89 THR HG23 H 1 1.049 0.007 . 1 . . . . . 89 Thr HG23 . 26844 1 947 . 1 1 89 89 THR C C 13 178.009 0.456 . 1 . . . . . 89 Thr C . 26844 1 948 . 1 1 89 89 THR CA C 13 62.503 0.547 . 1 . . . . . 89 Thr CA . 26844 1 949 . 1 1 89 89 THR CB C 13 68.722 0.547 . 1 . . . . . 89 Thr CB . 26844 1 950 . 1 1 89 89 THR CG2 C 13 20.813 0.456 . 1 . . . . . 89 Thr CG2 . 26844 1 951 . 1 1 89 89 THR N N 15 129.171 0.0585 . 1 . . . . . 89 Thr N . 26844 1 952 . 1 1 90 90 VAL H H 1 9.124 0.007 . 1 . . . . . 90 Val H . 26844 1 953 . 1 1 90 90 VAL HA H 1 4.838 0.007 . 1 . . . . . 90 Val HA . 26844 1 954 . 1 1 90 90 VAL HB H 1 1.689 0.007 . 1 . . . . . 90 Val HB . 26844 1 955 . 1 1 90 90 VAL HG11 H 1 0.969 0.007 . 2 . . . . . 90 Val HG11 . 26844 1 956 . 1 1 90 90 VAL HG12 H 1 0.969 0.007 . 2 . . . . . 90 Val HG12 . 26844 1 957 . 1 1 90 90 VAL HG13 H 1 0.969 0.007 . 2 . . . . . 90 Val HG13 . 26844 1 958 . 1 1 90 90 VAL HG21 H 1 0.860 0.007 . 2 . . . . . 90 Val HG21 . 26844 1 959 . 1 1 90 90 VAL HG22 H 1 0.860 0.007 . 2 . . . . . 90 Val HG22 . 26844 1 960 . 1 1 90 90 VAL HG23 H 1 0.860 0.007 . 2 . . . . . 90 Val HG23 . 26844 1 961 . 1 1 90 90 VAL C C 13 178.845 0.456 . 1 . . . . . 90 Val C . 26844 1 962 . 1 1 90 90 VAL CA C 13 58.123 0.547 . 1 . . . . . 90 Val CA . 26844 1 963 . 1 1 90 90 VAL CB C 13 35.778 0.547 . 1 . . . . . 90 Val CB . 26844 1 964 . 1 1 90 90 VAL CG1 C 13 22.716 0.456 . 2 . . . . . 90 Val CG1 . 26844 1 965 . 1 1 90 90 VAL CG2 C 13 19.973 0.456 . 2 . . . . . 90 Val CG2 . 26844 1 966 . 1 1 90 90 VAL N N 15 126.312 0.0585 . 1 . . . . . 90 Val N . 26844 1 967 . 1 1 91 91 THR H H 1 9.135 0.007 . 1 . . . . . 91 Thr H . 26844 1 968 . 1 1 91 91 THR HA H 1 5.112 0.007 . 1 . . . . . 91 Thr HA . 26844 1 969 . 1 1 91 91 THR HB H 1 3.686 0.007 . 1 . . . . . 91 Thr HB . 26844 1 970 . 1 1 91 91 THR HG21 H 1 0.910 0.007 . 1 . . . . . 91 Thr HG21 . 26844 1 971 . 1 1 91 91 THR HG22 H 1 0.910 0.007 . 1 . . . . . 91 Thr HG22 . 26844 1 972 . 1 1 91 91 THR HG23 H 1 0.910 0.007 . 1 . . . . . 91 Thr HG23 . 26844 1 973 . 1 1 91 91 THR C C 13 177.950 0.456 . 1 . . . . . 91 Thr C . 26844 1 974 . 1 1 91 91 THR CA C 13 61.441 0.547 . 1 . . . . . 91 Thr CA . 26844 1 975 . 1 1 91 91 THR CB C 13 69.578 0.547 . 1 . . . . . 91 Thr CB . 26844 1 976 . 1 1 91 91 THR CG2 C 13 21.027 0.456 . 1 . . . . . 91 Thr CG2 . 26844 1 977 . 1 1 91 91 THR N N 15 123.656 0.0585 . 1 . . . . . 91 Thr N . 26844 1 978 . 1 1 92 92 LEU H H 1 9.264 0.007 . 1 . . . . . 92 Leu H . 26844 1 979 . 1 1 92 92 LEU HA H 1 5.124 0.007 . 1 . . . . . 92 Leu HA . 26844 1 980 . 1 1 92 92 LEU HB2 H 1 1.155 0.007 . 2 . . . . . 92 Leu HB2 . 26844 1 981 . 1 1 92 92 LEU HB3 H 1 0.163 0.007 . 2 . . . . . 92 Leu HB3 . 26844 1 982 . 1 1 92 92 LEU HG H 1 0.667 0.007 . 1 . . . . . 92 Leu HG . 26844 1 983 . 1 1 92 92 LEU HD11 H 1 0.665 0.007 . 2 . . . . . 92 Leu HD11 . 26844 1 984 . 1 1 92 92 LEU HD12 H 1 0.665 0.007 . 2 . . . . . 92 Leu HD12 . 26844 1 985 . 1 1 92 92 LEU HD13 H 1 0.665 0.007 . 2 . . . . . 92 Leu HD13 . 26844 1 986 . 1 1 92 92 LEU HD21 H 1 0.745 0.007 . 2 . . . . . 92 Leu HD21 . 26844 1 987 . 1 1 92 92 LEU HD22 H 1 0.745 0.007 . 2 . . . . . 92 Leu HD22 . 26844 1 988 . 1 1 92 92 LEU HD23 H 1 0.745 0.007 . 2 . . . . . 92 Leu HD23 . 26844 1 989 . 1 1 92 92 LEU C C 13 175.601 0.456 . 1 . . . . . 92 Leu C . 26844 1 990 . 1 1 92 92 LEU CA C 13 52.249 0.547 . 1 . . . . . 92 Leu CA . 26844 1 991 . 1 1 92 92 LEU CB C 13 42.969 0.547 . 1 . . . . . 92 Leu CB . 26844 1 992 . 1 1 92 92 LEU CG C 13 27.578 0.456 . 1 . . . . . 92 Leu CG . 26844 1 993 . 1 1 92 92 LEU CD1 C 13 26.342 0.456 . 2 . . . . . 92 Leu CD1 . 26844 1 994 . 1 1 92 92 LEU CD2 C 13 26.155 0.456 . 2 . . . . . 92 Leu CD2 . 26844 1 995 . 1 1 92 92 LEU N N 15 129.360 0.0585 . 1 . . . . . 92 Leu N . 26844 1 996 . 1 1 93 93 SER H H 1 8.442 0.007 . 1 . . . . . 93 Ser H . 26844 1 997 . 1 1 93 93 SER HA H 1 4.407 0.007 . 1 . . . . . 93 Ser HA . 26844 1 998 . 1 1 93 93 SER HB2 H 1 3.971 0.007 . 2 . . . . . 93 Ser HB2 . 26844 1 999 . 1 1 93 93 SER HB3 H 1 3.943 0.007 . 2 . . . . . 93 Ser HB3 . 26844 1 1000 . 1 1 93 93 SER C C 13 176.374 0.456 . 1 . . . . . 93 Ser C . 26844 1 1001 . 1 1 93 93 SER CA C 13 58.207 0.547 . 1 . . . . . 93 Ser CA . 26844 1 1002 . 1 1 93 93 SER CB C 13 63.740 0.547 . 1 . . . . . 93 Ser CB . 26844 1 1003 . 1 1 93 93 SER N N 15 113.852 0.0585 . 1 . . . . . 93 Ser N . 26844 1 1004 . 1 1 94 94 GLY H H 1 8.417 0.007 . 1 . . . . . 94 Gly H . 26844 1 1005 . 1 1 94 94 GLY HA2 H 1 4.145 0.007 . 2 . . . . . 94 Gly HA2 . 26844 1 1006 . 1 1 94 94 GLY HA3 H 1 4.100 0.007 . 2 . . . . . 94 Gly HA3 . 26844 1 1007 . 1 1 94 94 GLY C C 13 179.782 0.456 . 1 . . . . . 94 Gly C . 26844 1 1008 . 1 1 94 94 GLY CA C 13 44.227 0.547 . 1 . . . . . 94 Gly CA . 26844 1 1009 . 1 1 94 94 GLY N N 15 112.777 0.0585 . 1 . . . . . 94 Gly N . 26844 1 1010 . 1 1 95 95 VAL H H 1 7.610 0.007 . 1 . . . . . 95 Val H . 26844 1 1011 . 1 1 95 95 VAL HA H 1 4.494 0.007 . 1 . . . . . 95 Val HA . 26844 1 1012 . 1 1 95 95 VAL HB H 1 1.577 0.007 . 1 . . . . . 95 Val HB . 26844 1 1013 . 1 1 95 95 VAL HG11 H 1 0.406 0.007 . 2 . . . . . 95 Val HG11 . 26844 1 1014 . 1 1 95 95 VAL HG12 H 1 0.406 0.007 . 2 . . . . . 95 Val HG12 . 26844 1 1015 . 1 1 95 95 VAL HG13 H 1 0.406 0.007 . 2 . . . . . 95 Val HG13 . 26844 1 1016 . 1 1 95 95 VAL HG21 H 1 0.497 0.007 . 2 . . . . . 95 Val HG21 . 26844 1 1017 . 1 1 95 95 VAL HG22 H 1 0.497 0.007 . 2 . . . . . 95 Val HG22 . 26844 1 1018 . 1 1 95 95 VAL HG23 H 1 0.497 0.007 . 2 . . . . . 95 Val HG23 . 26844 1 1019 . 1 1 95 95 VAL C C 13 174.859 0.456 . 1 . . . . . 95 Val C . 26844 1 1020 . 1 1 95 95 VAL CA C 13 56.538 0.547 . 1 . . . . . 95 Val CA . 26844 1 1021 . 1 1 95 95 VAL CB C 13 32.416 0.547 . 1 . . . . . 95 Val CB . 26844 1 1022 . 1 1 95 95 VAL CG1 C 13 21.794 0.456 . 2 . . . . . 95 Val CG1 . 26844 1 1023 . 1 1 95 95 VAL CG2 C 13 18.449 0.456 . 2 . . . . . 95 Val CG2 . 26844 1 1024 . 1 1 95 95 VAL N N 15 108.859 0.0585 . 1 . . . . . 95 Val N . 26844 1 1025 . 1 1 96 96 PRO HA H 1 3.476 0.007 . 1 . . . . . 96 Pro HA . 26844 1 1026 . 1 1 96 96 PRO C C 13 178.065 0.456 . 1 . . . . . 96 Pro C . 26844 1 1027 . 1 1 96 96 PRO CA C 13 61.346 0.547 . 1 . . . . . 96 Pro CA . 26844 1 1028 . 1 1 96 96 PRO CB C 13 25.205 0.547 . 1 . . . . . 96 Pro CB . 26844 1 1029 . 1 1 97 97 ILE H H 1 6.438 0.007 . 1 . . . . . 97 Ile H . 26844 1 1030 . 1 1 97 97 ILE HA H 1 4.072 0.007 . 1 . . . . . 97 Ile HA . 26844 1 1031 . 1 1 97 97 ILE HB H 1 1.164 0.007 . 1 . . . . . 97 Ile HB . 26844 1 1032 . 1 1 97 97 ILE HG12 H 1 0.927 0.007 . 2 . . . . . 97 Ile HG12 . 26844 1 1033 . 1 1 97 97 ILE HG13 H 1 0.570 0.007 . 2 . . . . . 97 Ile HG13 . 26844 1 1034 . 1 1 97 97 ILE HG21 H 1 0.550 0.007 . 1 . . . . . 97 Ile HG21 . 26844 1 1035 . 1 1 97 97 ILE HG22 H 1 0.550 0.007 . 1 . . . . . 97 Ile HG22 . 26844 1 1036 . 1 1 97 97 ILE HG23 H 1 0.550 0.007 . 1 . . . . . 97 Ile HG23 . 26844 1 1037 . 1 1 97 97 ILE HD11 H 1 0.466 0.007 . 1 . . . . . 97 Ile HD11 . 26844 1 1038 . 1 1 97 97 ILE HD12 H 1 0.466 0.007 . 1 . . . . . 97 Ile HD12 . 26844 1 1039 . 1 1 97 97 ILE HD13 H 1 0.466 0.007 . 1 . . . . . 97 Ile HD13 . 26844 1 1040 . 1 1 97 97 ILE C C 13 176.917 0.456 . 1 . . . . . 97 Ile C . 26844 1 1041 . 1 1 97 97 ILE CA C 13 58.211 0.547 . 1 . . . . . 97 Ile CA . 26844 1 1042 . 1 1 97 97 ILE CB C 13 40.142 0.547 . 1 . . . . . 97 Ile CB . 26844 1 1043 . 1 1 97 97 ILE CG1 C 13 26.631 0.456 . 1 . . . . . 97 Ile CG1 . 26844 1 1044 . 1 1 97 97 ILE CG2 C 13 16.919 0.456 . 1 . . . . . 97 Ile CG2 . 26844 1 1045 . 1 1 97 97 ILE N N 15 119.924 0.0585 . 1 . . . . . 97 Ile N . 26844 1 1046 . 1 1 98 98 TYR H H 1 8.207 0.007 . 1 . . . . . 98 Tyr H . 26844 1 1047 . 1 1 98 98 TYR HA H 1 4.708 0.007 . 1 . . . . . 98 Tyr HA . 26844 1 1048 . 1 1 98 98 TYR HB2 H 1 2.842 0.007 . 1 . . . . . 98 Tyr HB2 . 26844 1 1049 . 1 1 98 98 TYR HD1 H 1 6.804 0.007 . 1 . . . . . 98 Tyr HD1 . 26844 1 1050 . 1 1 98 98 TYR HD2 H 1 6.804 0.007 . 1 . . . . . 98 Tyr HD2 . 26844 1 1051 . 1 1 98 98 TYR HE1 H 1 7.082 0.007 . 1 . . . . . 98 Tyr HE1 . 26844 1 1052 . 1 1 98 98 TYR HE2 H 1 7.082 0.007 . 1 . . . . . 98 Tyr HE2 . 26844 1 1053 . 1 1 98 98 TYR C C 13 175.611 0.456 . 1 . . . . . 98 Tyr C . 26844 1 1054 . 1 1 98 98 TYR CA C 13 58.176 0.547 . 1 . . . . . 98 Tyr CA . 26844 1 1055 . 1 1 98 98 TYR CB C 13 38.593 0.547 . 1 . . . . . 98 Tyr CB . 26844 1 1056 . 1 1 98 98 TYR N N 15 121.187 0.0585 . 1 . . . . . 98 Tyr N . 26844 1 1057 . 1 1 99 99 ASP H H 1 8.218 0.007 . 1 . . . . . 99 Asp H . 26844 1 1058 . 1 1 99 99 ASP HA H 1 4.679 0.007 . 1 . . . . . 99 Asp HA . 26844 1 1059 . 1 1 99 99 ASP HB2 H 1 2.742 0.007 . 2 . . . . . 99 Asp HB2 . 26844 1 1060 . 1 1 99 99 ASP HB3 H 1 2.576 0.007 . 2 . . . . . 99 Asp HB3 . 26844 1 1061 . 1 1 99 99 ASP C C 13 175.126 0.456 . 1 . . . . . 99 Asp C . 26844 1 1062 . 1 1 99 99 ASP CA C 13 53.441 0.547 . 1 . . . . . 99 Asp CA . 26844 1 1063 . 1 1 99 99 ASP CB C 13 41.204 0.547 . 1 . . . . . 99 Asp CB . 26844 1 1064 . 1 1 99 99 ASP N N 15 121.205 0.0585 . 1 . . . . . 99 Asp N . 26844 1 1065 . 1 1 100 100 THR H H 1 8.200 0.007 . 1 . . . . . 100 Thr H . 26844 1 1066 . 1 1 100 100 THR HA H 1 4.386 0.007 . 1 . . . . . 100 Thr HA . 26844 1 1067 . 1 1 100 100 THR HB H 1 4.237 0.007 . 1 . . . . . 100 Thr HB . 26844 1 1068 . 1 1 100 100 THR HG21 H 1 0.963 0.007 . 1 . . . . . 100 Thr HG21 . 26844 1 1069 . 1 1 100 100 THR HG22 H 1 0.963 0.007 . 1 . . . . . 100 Thr HG22 . 26844 1 1070 . 1 1 100 100 THR HG23 H 1 0.963 0.007 . 1 . . . . . 100 Thr HG23 . 26844 1 1071 . 1 1 100 100 THR C C 13 176.623 0.456 . 1 . . . . . 100 Thr C . 26844 1 1072 . 1 1 100 100 THR CA C 13 60.489 0.547 . 1 . . . . . 100 Thr CA . 26844 1 1073 . 1 1 100 100 THR CB C 13 68.365 0.547 . 1 . . . . . 100 Thr CB . 26844 1 1074 . 1 1 100 100 THR CG2 C 13 20.315 0.456 . 1 . . . . . 100 Thr CG2 . 26844 1 1075 . 1 1 100 100 THR N N 15 115.093 0.0585 . 1 . . . . . 100 Thr N . 26844 1 1076 . 1 1 101 101 THR H H 1 8.215 0.007 . 1 . . . . . 101 Thr H . 26844 1 1077 . 1 1 101 101 THR HA H 1 4.257 0.007 . 1 . . . . . 101 Thr HA . 26844 1 1078 . 1 1 101 101 THR HB H 1 4.256 0.007 . 1 . . . . . 101 Thr HB . 26844 1 1079 . 1 1 101 101 THR HG21 H 1 0.913 0.007 . 1 . . . . . 101 Thr HG21 . 26844 1 1080 . 1 1 101 101 THR HG22 H 1 0.913 0.007 . 1 . . . . . 101 Thr HG22 . 26844 1 1081 . 1 1 101 101 THR HG23 H 1 0.913 0.007 . 1 . . . . . 101 Thr HG23 . 26844 1 1082 . 1 1 101 101 THR C C 13 176.506 0.456 . 1 . . . . . 101 Thr C . 26844 1 1083 . 1 1 101 101 THR CA C 13 62.135 0.547 . 1 . . . . . 101 Thr CA . 26844 1 1084 . 1 1 101 101 THR CB C 13 68.863 0.547 . 1 . . . . . 101 Thr CB . 26844 1 1085 . 1 1 101 101 THR CG2 C 13 20.712 0.456 . 1 . . . . . 101 Thr CG2 . 26844 1 1086 . 1 1 101 101 THR N N 15 115.077 0.0585 . 1 . . . . . 101 Thr N . 26844 1 1087 . 1 1 102 102 ASN H H 1 8.352 0.007 . 1 . . . . . 102 Asn H . 26844 1 1088 . 1 1 102 102 ASN HA H 1 4.866 0.007 . 1 . . . . . 102 Asn HA . 26844 1 1089 . 1 1 102 102 ASN HB2 H 1 2.791 0.007 . 2 . . . . . 102 Asn HB2 . 26844 1 1090 . 1 1 102 102 ASN HB3 H 1 2.696 0.007 . 2 . . . . . 102 Asn HB3 . 26844 1 1091 . 1 1 102 102 ASN HD21 H 1 7.032 0.007 . 1 . . . . . 102 Asn HD21 . 26844 1 1092 . 1 1 102 102 ASN HD22 H 1 7.708 0.007 . 1 . . . . . 102 Asn HD22 . 26844 1 1093 . 1 1 102 102 ASN C C 13 176.944 0.456 . 1 . . . . . 102 Asn C . 26844 1 1094 . 1 1 102 102 ASN CA C 13 51.077 0.547 . 1 . . . . . 102 Asn CA . 26844 1 1095 . 1 1 102 102 ASN CB C 13 38.757 0.547 . 1 . . . . . 102 Asn CB . 26844 1 1096 . 1 1 102 102 ASN N N 15 122.075 0.0585 . 1 . . . . . 102 Asn N . 26844 1 1097 . 1 1 102 102 ASN ND2 N 15 112.365 0.0585 . 1 . . . . . 102 Asn ND2 . 26844 1 1098 . 1 1 103 103 PRO HA H 1 4.349 0.007 . 1 . . . . . 103 Pro HA . 26844 1 1099 . 1 1 103 103 PRO HB2 H 1 2.247 0.007 . 2 . . . . . 103 Pro HB2 . 26844 1 1100 . 1 1 103 103 PRO HB3 H 1 1.901 0.007 . 2 . . . . . 103 Pro HB3 . 26844 1 1101 . 1 1 103 103 PRO HG2 H 1 1.961 0.007 . 2 . . . . . 103 Pro HG2 . 26844 1 1102 . 1 1 103 103 PRO HG3 H 1 1.895 0.007 . 2 . . . . . 103 Pro HG3 . 26844 1 1103 . 1 1 103 103 PRO HD2 H 1 3.813 0.007 . 2 . . . . . 103 Pro HD2 . 26844 1 1104 . 1 1 103 103 PRO HD3 H 1 3.720 0.007 . 2 . . . . . 103 Pro HD3 . 26844 1 1105 . 1 1 103 103 PRO C C 13 173.657 0.456 . 1 . . . . . 103 Pro C . 26844 1 1106 . 1 1 103 103 PRO CA C 13 63.644 0.547 . 1 . . . . . 103 Pro CA . 26844 1 1107 . 1 1 103 103 PRO CB C 13 31.513 0.547 . 1 . . . . . 103 Pro CB . 26844 1 1108 . 1 1 103 103 PRO CG C 13 27.062 0.456 . 1 . . . . . 103 Pro CG . 26844 1 1109 . 1 1 103 103 PRO CD C 13 50.564 0.456 . 1 . . . . . 103 Pro CD . 26844 1 1110 . 1 1 104 104 GLN H H 1 8.346 0.007 . 1 . . . . . 104 Gln H . 26844 1 1111 . 1 1 104 104 GLN HA H 1 4.154 0.007 . 1 . . . . . 104 Gln HA . 26844 1 1112 . 1 1 104 104 GLN HB2 H 1 1.843 0.007 . 2 . . . . . 104 Gln HB2 . 26844 1 1113 . 1 1 104 104 GLN HB3 H 1 1.799 0.007 . 2 . . . . . 104 Gln HB3 . 26844 1 1114 . 1 1 104 104 GLN HG2 H 1 2.101 0.007 . 2 . . . . . 104 Gln HG2 . 26844 1 1115 . 1 1 104 104 GLN HG3 H 1 2.155 0.007 . 2 . . . . . 104 Gln HG3 . 26844 1 1116 . 1 1 104 104 GLN HE21 H 1 6.967 0.007 . 1 . . . . . 104 Gln HE21 . 26844 1 1117 . 1 1 104 104 GLN C C 13 174.847 0.456 . 1 . . . . . 104 Gln C . 26844 1 1118 . 1 1 104 104 GLN CA C 13 56.227 0.547 . 1 . . . . . 104 Gln CA . 26844 1 1119 . 1 1 104 104 GLN CB C 13 28.707 0.547 . 1 . . . . . 104 Gln CB . 26844 1 1120 . 1 1 104 104 GLN CG C 13 33.607 0.456 . 1 . . . . . 104 Gln CG . 26844 1 1121 . 1 1 104 104 GLN N N 15 117.722 0.0585 . 1 . . . . . 104 Gln N . 26844 1 1122 . 1 1 104 104 GLN NE2 N 15 112.459 0.0585 . 1 . . . . . 104 Gln NE2 . 26844 1 1123 . 1 1 105 105 TYR H H 1 7.875 0.007 . 1 . . . . . 105 Tyr H . 26844 1 1124 . 1 1 105 105 TYR HA H 1 4.471 0.007 . 1 . . . . . 105 Tyr HA . 26844 1 1125 . 1 1 105 105 TYR HB2 H 1 2.739 0.007 . 2 . . . . . 105 Tyr HB2 . 26844 1 1126 . 1 1 105 105 TYR HB3 H 1 2.775 0.007 . 2 . . . . . 105 Tyr HB3 . 26844 1 1127 . 1 1 105 105 TYR HD1 H 1 6.932 0.007 . 1 . . . . . 105 Tyr HD1 . 26844 1 1128 . 1 1 105 105 TYR HD2 H 1 6.932 0.007 . 1 . . . . . 105 Tyr HD2 . 26844 1 1129 . 1 1 105 105 TYR HE1 H 1 6.701 0.007 . 1 . . . . . 105 Tyr HE1 . 26844 1 1130 . 1 1 105 105 TYR HE2 H 1 6.701 0.007 . 1 . . . . . 105 Tyr HE2 . 26844 1 1131 . 1 1 105 105 TYR C C 13 175.529 0.456 . 1 . . . . . 105 Tyr C . 26844 1 1132 . 1 1 105 105 TYR CA C 13 57.223 0.547 . 1 . . . . . 105 Tyr CA . 26844 1 1133 . 1 1 105 105 TYR CB C 13 37.963 0.547 . 1 . . . . . 105 Tyr CB . 26844 1 1134 . 1 1 105 105 TYR N N 15 118.743 0.0585 . 1 . . . . . 105 Tyr N . 26844 1 1135 . 1 1 106 106 ASN H H 1 8.026 0.007 . 1 . . . . . 106 Asn H . 26844 1 1136 . 1 1 106 106 ASN HA H 1 4.572 0.007 . 1 . . . . . 106 Asn HA . 26844 1 1137 . 1 1 106 106 ASN HB2 H 1 2.802 0.007 . 2 . . . . . 106 Asn HB2 . 26844 1 1138 . 1 1 106 106 ASN HB3 H 1 2.833 0.007 . 2 . . . . . 106 Asn HB3 . 26844 1 1139 . 1 1 106 106 ASN HD21 H 1 7.724 0.007 . 1 . . . . . 106 Asn HD21 . 26844 1 1140 . 1 1 106 106 ASN HD22 H 1 7.019 0.007 . 1 . . . . . 106 Asn HD22 . 26844 1 1141 . 1 1 106 106 ASN C C 13 175.969 0.456 . 1 . . . . . 106 Asn C . 26844 1 1142 . 1 1 106 106 ASN CA C 13 53.140 0.547 . 1 . . . . . 106 Asn CA . 26844 1 1143 . 1 1 106 106 ASN CB C 13 37.952 0.547 . 1 . . . . . 106 Asn CB . 26844 1 1144 . 1 1 106 106 ASN N N 15 119.367 0.0585 . 1 . . . . . 106 Asn N . 26844 1 1145 . 1 1 106 106 ASN ND2 N 15 113.267 0.0585 . 1 . . . . . 106 Asn ND2 . 26844 1 1146 . 1 1 107 107 SER H H 1 8.076 0.007 . 1 . . . . . 107 Ser H . 26844 1 1147 . 1 1 107 107 SER HA H 1 4.332 0.007 . 1 . . . . . 107 Ser HA . 26844 1 1148 . 1 1 107 107 SER HB2 H 1 3.832 0.007 . 2 . . . . . 107 Ser HB2 . 26844 1 1149 . 1 1 107 107 SER HB3 H 1 3.781 0.007 . 2 . . . . . 107 Ser HB3 . 26844 1 1150 . 1 1 107 107 SER C C 13 176.790 0.456 . 1 . . . . . 107 Ser C . 26844 1 1151 . 1 1 107 107 SER CA C 13 58.231 0.547 . 1 . . . . . 107 Ser CA . 26844 1 1152 . 1 1 107 107 SER CB C 13 63.167 0.547 . 1 . . . . . 107 Ser CB . 26844 1 1153 . 1 1 107 107 SER N N 15 114.164 0.0585 . 1 . . . . . 107 Ser N . 26844 1 1154 . 1 1 108 108 VAL H H 1 7.886 0.007 . 1 . . . . . 108 Val H . 26844 1 1155 . 1 1 108 108 VAL HA H 1 4.117 0.007 . 1 . . . . . 108 Val HA . 26844 1 1156 . 1 1 108 108 VAL HB H 1 2.057 0.007 . 1 . . . . . 108 Val HB . 26844 1 1157 . 1 1 108 108 VAL HG11 H 1 0.830 0.007 . 2 . . . . . 108 Val HG11 . 26844 1 1158 . 1 1 108 108 VAL HG12 H 1 0.830 0.007 . 2 . . . . . 108 Val HG12 . 26844 1 1159 . 1 1 108 108 VAL HG13 H 1 0.830 0.007 . 2 . . . . . 108 Val HG13 . 26844 1 1160 . 1 1 108 108 VAL HG21 H 1 0.722 0.007 . 2 . . . . . 108 Val HG21 . 26844 1 1161 . 1 1 108 108 VAL HG22 H 1 0.722 0.007 . 2 . . . . . 108 Val HG22 . 26844 1 1162 . 1 1 108 108 VAL HG23 H 1 0.722 0.007 . 2 . . . . . 108 Val HG23 . 26844 1 1163 . 1 1 108 108 VAL C C 13 175.158 0.456 . 1 . . . . . 108 Val C . 26844 1 1164 . 1 1 108 108 VAL CA C 13 61.507 0.547 . 1 . . . . . 108 Val CA . 26844 1 1165 . 1 1 108 108 VAL CB C 13 32.487 0.547 . 1 . . . . . 108 Val CB . 26844 1 1166 . 1 1 108 108 VAL CG1 C 13 21.021 0.456 . 2 . . . . . 108 Val CG1 . 26844 1 1167 . 1 1 108 108 VAL CG2 C 13 20.203 0.456 . 2 . . . . . 108 Val CG2 . 26844 1 1168 . 1 1 108 108 VAL N N 15 120.199 0.0585 . 1 . . . . . 108 Val N . 26844 1 1169 . 1 1 109 109 SER H H 1 8.276 0.007 . 1 . . . . . 109 Ser H . 26844 1 1170 . 1 1 109 109 SER HA H 1 4.435 0.007 . 1 . . . . . 109 Ser HA . 26844 1 1171 . 1 1 109 109 SER HB2 H 1 3.763 0.007 . 2 . . . . . 109 Ser HB2 . 26844 1 1172 . 1 1 109 109 SER HB3 H 1 3.683 0.007 . 2 . . . . . 109 Ser HB3 . 26844 1 1173 . 1 1 109 109 SER C C 13 176.990 0.456 . 1 . . . . . 109 Ser C . 26844 1 1174 . 1 1 109 109 SER CA C 13 57.975 0.547 . 1 . . . . . 109 Ser CA . 26844 1 1175 . 1 1 109 109 SER CB C 13 63.300 0.547 . 1 . . . . . 109 Ser CB . 26844 1 1176 . 1 1 109 109 SER N N 15 119.364 0.0585 . 1 . . . . . 109 Ser N . 26844 1 1177 . 1 1 110 110 ARG H H 1 8.556 0.007 . 1 . . . . . 110 Arg H . 26844 1 1178 . 1 1 110 110 ARG HA H 1 4.420 0.007 . 1 . . . . . 110 Arg HA . 26844 1 1179 . 1 1 110 110 ARG HB2 H 1 1.614 0.007 . 2 . . . . . 110 Arg HB2 . 26844 1 1180 . 1 1 110 110 ARG HB3 H 1 1.877 0.007 . 2 . . . . . 110 Arg HB3 . 26844 1 1181 . 1 1 110 110 ARG C C 13 176.390 0.456 . 1 . . . . . 110 Arg C . 26844 1 1182 . 1 1 110 110 ARG CA C 13 55.398 0.547 . 1 . . . . . 110 Arg CA . 26844 1 1183 . 1 1 110 110 ARG CB C 13 30.970 0.547 . 1 . . . . . 110 Arg CB . 26844 1 1184 . 1 1 110 110 ARG N N 15 123.265 0.0585 . 1 . . . . . 110 Arg N . 26844 1 1185 . 1 1 111 111 GLN H H 1 6.887 0.007 . 1 . . . . . 111 Gln H . 26844 1 1186 . 1 1 111 111 GLN HA H 1 4.930 0.007 . 1 . . . . . 111 Gln HA . 26844 1 1187 . 1 1 111 111 GLN HB2 H 1 1.787 0.007 . 2 . . . . . 111 Gln HB2 . 26844 1 1188 . 1 1 111 111 GLN HB3 H 1 1.949 0.007 . 2 . . . . . 111 Gln HB3 . 26844 1 1189 . 1 1 111 111 GLN HG2 H 1 2.176 0.007 . 2 . . . . . 111 Gln HG2 . 26844 1 1190 . 1 1 111 111 GLN HG3 H 1 2.207 0.007 . 2 . . . . . 111 Gln HG3 . 26844 1 1191 . 1 1 111 111 GLN HE21 H 1 6.892 0.007 . 1 . . . . . 111 Gln HE21 . 26844 1 1192 . 1 1 111 111 GLN HE22 H 1 7.299 0.007 . 1 . . . . . 111 Gln HE22 . 26844 1 1193 . 1 1 111 111 GLN C C 13 175.775 0.456 . 1 . . . . . 111 Gln C . 26844 1 1194 . 1 1 111 111 GLN CA C 13 53.412 0.547 . 1 . . . . . 111 Gln CA . 26844 1 1195 . 1 1 111 111 GLN CB C 13 31.418 0.547 . 1 . . . . . 111 Gln CB . 26844 1 1196 . 1 1 111 111 GLN CG C 13 33.456 0.456 . 1 . . . . . 111 Gln CG . 26844 1 1197 . 1 1 111 111 GLN N N 15 120.434 0.0585 . 1 . . . . . 111 Gln N . 26844 1 1198 . 1 1 111 111 GLN NE2 N 15 112.220 0.0585 . 1 . . . . . 111 Gln NE2 . 26844 1 1199 . 1 1 112 112 VAL H H 1 7.397 0.007 . 1 . . . . . 112 Val H . 26844 1 1200 . 1 1 112 112 VAL HA H 1 4.335 0.007 . 1 . . . . . 112 Val HA . 26844 1 1201 . 1 1 112 112 VAL HB H 1 2.098 0.007 . 1 . . . . . 112 Val HB . 26844 1 1202 . 1 1 112 112 VAL HG11 H 1 0.927 0.007 . 2 . . . . . 112 Val HG11 . 26844 1 1203 . 1 1 112 112 VAL HG12 H 1 0.927 0.007 . 2 . . . . . 112 Val HG12 . 26844 1 1204 . 1 1 112 112 VAL HG13 H 1 0.927 0.007 . 2 . . . . . 112 Val HG13 . 26844 1 1205 . 1 1 112 112 VAL HG21 H 1 0.855 0.007 . 2 . . . . . 112 Val HG21 . 26844 1 1206 . 1 1 112 112 VAL HG22 H 1 0.855 0.007 . 2 . . . . . 112 Val HG22 . 26844 1 1207 . 1 1 112 112 VAL HG23 H 1 0.855 0.007 . 2 . . . . . 112 Val HG23 . 26844 1 1208 . 1 1 112 112 VAL C C 13 176.535 0.456 . 1 . . . . . 112 Val C . 26844 1 1209 . 1 1 112 112 VAL CA C 13 63.428 0.547 . 1 . . . . . 112 Val CA . 26844 1 1210 . 1 1 112 112 VAL CB C 13 31.981 0.547 . 1 . . . . . 112 Val CB . 26844 1 1211 . 1 1 112 112 VAL CG1 C 13 22.135 0.456 . 2 . . . . . 112 Val CG1 . 26844 1 1212 . 1 1 112 112 VAL CG2 C 13 20.990 0.456 . 2 . . . . . 112 Val CG2 . 26844 1 1213 . 1 1 112 112 VAL N N 15 119.602 0.0585 . 1 . . . . . 112 Val N . 26844 1 1214 . 1 1 113 113 GLU H H 1 8.588 0.007 . 1 . . . . . 113 Glu H . 26844 1 1215 . 1 1 113 113 GLU HA H 1 4.657 0.007 . 1 . . . . . 113 Glu HA . 26844 1 1216 . 1 1 113 113 GLU HB2 H 1 1.832 0.007 . 2 . . . . . 113 Glu HB2 . 26844 1 1217 . 1 1 113 113 GLU HB3 H 1 1.979 0.007 . 2 . . . . . 113 Glu HB3 . 26844 1 1218 . 1 1 113 113 GLU HG2 H 1 2.411 0.007 . 2 . . . . . 113 Glu HG2 . 26844 1 1219 . 1 1 113 113 GLU HG3 H 1 2.382 0.007 . 2 . . . . . 113 Glu HG3 . 26844 1 1220 . 1 1 113 113 GLU C C 13 175.519 0.456 . 1 . . . . . 113 Glu C . 26844 1 1221 . 1 1 113 113 GLU CA C 13 53.194 0.547 . 1 . . . . . 113 Glu CA . 26844 1 1222 . 1 1 113 113 GLU CB C 13 33.292 0.547 . 1 . . . . . 113 Glu CB . 26844 1 1223 . 1 1 113 113 GLU CG C 13 35.049 0.456 . 1 . . . . . 113 Glu CG . 26844 1 1224 . 1 1 113 113 GLU N N 15 126.658 0.0585 . 1 . . . . . 113 Glu N . 26844 1 1225 . 1 1 114 114 ALA H H 1 8.607 0.007 . 1 . . . . . 114 Ala H . 26844 1 1226 . 1 1 114 114 ALA HA H 1 3.678 0.007 . 1 . . . . . 114 Ala HA . 26844 1 1227 . 1 1 114 114 ALA HB1 H 1 1.131 0.007 . 1 . . . . . 114 Ala HB1 . 26844 1 1228 . 1 1 114 114 ALA HB2 H 1 1.131 0.007 . 1 . . . . . 114 Ala HB2 . 26844 1 1229 . 1 1 114 114 ALA HB3 H 1 1.131 0.007 . 1 . . . . . 114 Ala HB3 . 26844 1 1230 . 1 1 114 114 ALA C C 13 172.773 0.456 . 1 . . . . . 114 Ala C . 26844 1 1231 . 1 1 114 114 ALA CA C 13 53.200 0.547 . 1 . . . . . 114 Ala CA . 26844 1 1232 . 1 1 114 114 ALA CB C 13 17.121 0.547 . 1 . . . . . 114 Ala CB . 26844 1 1233 . 1 1 114 114 ALA N N 15 122.339 0.0585 . 1 . . . . . 114 Ala N . 26844 1 1234 . 1 1 115 115 GLY H H 1 9.169 0.007 . 1 . . . . . 115 Gly H . 26844 1 1235 . 1 1 115 115 GLY HA2 H 1 4.482 0.007 . 2 . . . . . 115 Gly HA2 . 26844 1 1236 . 1 1 115 115 GLY HA3 H 1 4.373 0.007 . 2 . . . . . 115 Gly HA3 . 26844 1 1237 . 1 1 115 115 GLY C C 13 174.879 0.456 . 1 . . . . . 115 Gly C . 26844 1 1238 . 1 1 115 115 GLY CA C 13 44.280 0.547 . 1 . . . . . 115 Gly CA . 26844 1 1239 . 1 1 115 115 GLY N N 15 111.620 0.0585 . 1 . . . . . 115 Gly N . 26844 1 1240 . 1 1 116 116 ASP H H 1 8.261 0.007 . 1 . . . . . 116 Asp H . 26844 1 1241 . 1 1 116 116 ASP HA H 1 5.076 0.007 . 1 . . . . . 116 Asp HA . 26844 1 1242 . 1 1 116 116 ASP HB2 H 1 2.972 0.007 . 2 . . . . . 116 Asp HB2 . 26844 1 1243 . 1 1 116 116 ASP HB3 H 1 3.032 0.007 . 2 . . . . . 116 Asp HB3 . 26844 1 1244 . 1 1 116 116 ASP C C 13 176.558 0.456 . 1 . . . . . 116 Asp C . 26844 1 1245 . 1 1 116 116 ASP CA C 13 55.798 0.547 . 1 . . . . . 116 Asp CA . 26844 1 1246 . 1 1 116 116 ASP CB C 13 40.753 0.547 . 1 . . . . . 116 Asp CB . 26844 1 1247 . 1 1 116 116 ASP N N 15 124.438 0.0585 . 1 . . . . . 116 Asp N . 26844 1 1248 . 1 1 117 117 ALA H H 1 7.947 0.007 . 1 . . . . . 117 Ala H . 26844 1 1249 . 1 1 117 117 ALA HA H 1 4.948 0.007 . 1 . . . . . 117 Ala HA . 26844 1 1250 . 1 1 117 117 ALA HB1 H 1 1.459 0.007 . 1 . . . . . 117 Ala HB1 . 26844 1 1251 . 1 1 117 117 ALA HB2 H 1 1.459 0.007 . 1 . . . . . 117 Ala HB2 . 26844 1 1252 . 1 1 117 117 ALA HB3 H 1 1.459 0.007 . 1 . . . . . 117 Ala HB3 . 26844 1 1253 . 1 1 117 117 ALA C C 13 173.923 0.456 . 1 . . . . . 117 Ala C . 26844 1 1254 . 1 1 117 117 ALA CA C 13 51.359 0.547 . 1 . . . . . 117 Ala CA . 26844 1 1255 . 1 1 117 117 ALA CB C 13 21.249 0.547 . 1 . . . . . 117 Ala CB . 26844 1 1256 . 1 1 117 117 ALA N N 15 123.923 0.0585 . 1 . . . . . 117 Ala N . 26844 1 1257 . 1 1 118 118 VAL H H 1 8.582 0.007 . 1 . . . . . 118 Val H . 26844 1 1258 . 1 1 118 118 VAL HA H 1 5.058 0.007 . 1 . . . . . 118 Val HA . 26844 1 1259 . 1 1 118 118 VAL HB H 1 1.453 0.007 . 1 . . . . . 118 Val HB . 26844 1 1260 . 1 1 118 118 VAL HG11 H 1 0.341 0.007 . 2 . . . . . 118 Val HG11 . 26844 1 1261 . 1 1 118 118 VAL HG12 H 1 0.341 0.007 . 2 . . . . . 118 Val HG12 . 26844 1 1262 . 1 1 118 118 VAL HG13 H 1 0.341 0.007 . 2 . . . . . 118 Val HG13 . 26844 1 1263 . 1 1 118 118 VAL HG21 H 1 0.220 0.007 . 2 . . . . . 118 Val HG21 . 26844 1 1264 . 1 1 118 118 VAL HG22 H 1 0.220 0.007 . 2 . . . . . 118 Val HG22 . 26844 1 1265 . 1 1 118 118 VAL HG23 H 1 0.220 0.007 . 2 . . . . . 118 Val HG23 . 26844 1 1266 . 1 1 118 118 VAL C C 13 176.365 0.456 . 1 . . . . . 118 Val C . 26844 1 1267 . 1 1 118 118 VAL CA C 13 59.471 0.547 . 1 . . . . . 118 Val CA . 26844 1 1268 . 1 1 118 118 VAL CB C 13 34.352 0.547 . 1 . . . . . 118 Val CB . 26844 1 1269 . 1 1 118 118 VAL CG1 C 13 22.763 0.456 . 2 . . . . . 118 Val CG1 . 26844 1 1270 . 1 1 118 118 VAL CG2 C 13 20.885 0.456 . 2 . . . . . 118 Val CG2 . 26844 1 1271 . 1 1 118 118 VAL N N 15 120.059 0.0585 . 1 . . . . . 118 Val N . 26844 1 1272 . 1 1 119 119 SER H H 1 8.736 0.007 . 1 . . . . . 119 Ser H . 26844 1 1273 . 1 1 119 119 SER HA H 1 4.941 0.007 . 1 . . . . . 119 Ser HA . 26844 1 1274 . 1 1 119 119 SER HB2 H 1 3.754 0.007 . 2 . . . . . 119 Ser HB2 . 26844 1 1275 . 1 1 119 119 SER HB3 H 1 3.650 0.007 . 2 . . . . . 119 Ser HB3 . 26844 1 1276 . 1 1 119 119 SER C C 13 178.045 0.456 . 1 . . . . . 119 Ser C . 26844 1 1277 . 1 1 119 119 SER CA C 13 55.732 0.547 . 1 . . . . . 119 Ser CA . 26844 1 1278 . 1 1 119 119 SER CB C 13 65.436 0.547 . 1 . . . . . 119 Ser CB . 26844 1 1279 . 1 1 119 119 SER N N 15 119.758 0.0585 . 1 . . . . . 119 Ser N . 26844 1 1280 . 1 1 120 120 VAL H H 1 9.341 0.007 . 1 . . . . . 120 Val H . 26844 1 1281 . 1 1 120 120 VAL HA H 1 4.281 0.007 . 1 . . . . . 120 Val HA . 26844 1 1282 . 1 1 120 120 VAL HB H 1 2.136 0.007 . 1 . . . . . 120 Val HB . 26844 1 1283 . 1 1 120 120 VAL HG11 H 1 0.854 0.007 . 2 . . . . . 120 Val HG11 . 26844 1 1284 . 1 1 120 120 VAL HG12 H 1 0.854 0.007 . 2 . . . . . 120 Val HG12 . 26844 1 1285 . 1 1 120 120 VAL HG13 H 1 0.854 0.007 . 2 . . . . . 120 Val HG13 . 26844 1 1286 . 1 1 120 120 VAL HG21 H 1 0.859 0.007 . 2 . . . . . 120 Val HG21 . 26844 1 1287 . 1 1 120 120 VAL HG22 H 1 0.859 0.007 . 2 . . . . . 120 Val HG22 . 26844 1 1288 . 1 1 120 120 VAL HG23 H 1 0.859 0.007 . 2 . . . . . 120 Val HG23 . 26844 1 1289 . 1 1 120 120 VAL C C 13 174.406 0.456 . 1 . . . . . 120 Val C . 26844 1 1290 . 1 1 120 120 VAL CA C 13 62.909 0.547 . 1 . . . . . 120 Val CA . 26844 1 1291 . 1 1 120 120 VAL CB C 13 31.273 0.547 . 1 . . . . . 120 Val CB . 26844 1 1292 . 1 1 120 120 VAL CG1 C 13 21.053 0.456 . 2 . . . . . 120 Val CG1 . 26844 1 1293 . 1 1 120 120 VAL CG2 C 13 21.784 0.456 . 2 . . . . . 120 Val CG2 . 26844 1 1294 . 1 1 120 120 VAL N N 15 124.891 0.0585 . 1 . . . . . 120 Val N . 26844 1 1295 . 1 1 121 121 VAL H H 1 8.537 0.007 . 1 . . . . . 121 Val H . 26844 1 1296 . 1 1 121 121 VAL HA H 1 4.274 0.007 . 1 . . . . . 121 Val HA . 26844 1 1297 . 1 1 121 121 VAL HB H 1 2.122 0.007 . 1 . . . . . 121 Val HB . 26844 1 1298 . 1 1 121 121 VAL HG11 H 1 0.855 0.007 . 2 . . . . . 121 Val HG11 . 26844 1 1299 . 1 1 121 121 VAL HG12 H 1 0.855 0.007 . 2 . . . . . 121 Val HG12 . 26844 1 1300 . 1 1 121 121 VAL HG13 H 1 0.855 0.007 . 2 . . . . . 121 Val HG13 . 26844 1 1301 . 1 1 121 121 VAL HG21 H 1 0.732 0.007 . 2 . . . . . 121 Val HG21 . 26844 1 1302 . 1 1 121 121 VAL HG22 H 1 0.732 0.007 . 2 . . . . . 121 Val HG22 . 26844 1 1303 . 1 1 121 121 VAL HG23 H 1 0.732 0.007 . 2 . . . . . 121 Val HG23 . 26844 1 1304 . 1 1 121 121 VAL C C 13 174.841 0.456 . 1 . . . . . 121 Val C . 26844 1 1305 . 1 1 121 121 VAL CA C 13 61.487 0.547 . 1 . . . . . 121 Val CA . 26844 1 1306 . 1 1 121 121 VAL CB C 13 32.470 0.547 . 1 . . . . . 121 Val CB . 26844 1 1307 . 1 1 121 121 VAL CG1 C 13 21.515 0.456 . 2 . . . . . 121 Val CG1 . 26844 1 1308 . 1 1 121 121 VAL CG2 C 13 19.768 0.456 . 2 . . . . . 121 Val CG2 . 26844 1 1309 . 1 1 121 121 VAL N N 15 124.163 0.0585 . 1 . . . . . 121 Val N . 26844 1 1310 . 1 1 122 122 GLY H H 1 8.093 0.007 . 1 . . . . . 122 Gly H . 26844 1 1311 . 1 1 122 122 GLY HA2 H 1 4.068 0.007 . 2 . . . . . 122 Gly HA2 . 26844 1 1312 . 1 1 122 122 GLY HA3 H 1 3.974 0.007 . 2 . . . . . 122 Gly HA3 . 26844 1 1313 . 1 1 122 122 GLY C C 13 174.948 0.456 . 1 . . . . . 122 Gly C . 26844 1 1314 . 1 1 122 122 GLY CA C 13 45.200 0.547 . 1 . . . . . 122 Gly CA . 26844 1 1315 . 1 1 122 122 GLY N N 15 110.989 0.0585 . 1 . . . . . 122 Gly N . 26844 1 1316 . 1 1 123 123 THR H H 1 8.268 0.007 . 1 . . . . . 123 Thr H . 26844 1 1317 . 1 1 123 123 THR HA H 1 4.669 0.007 . 1 . . . . . 123 Thr HA . 26844 1 1318 . 1 1 123 123 THR HB H 1 4.204 0.007 . 1 . . . . . 123 Thr HB . 26844 1 1319 . 1 1 123 123 THR HG21 H 1 1.079 0.007 . 1 . . . . . 123 Thr HG21 . 26844 1 1320 . 1 1 123 123 THR HG22 H 1 1.079 0.007 . 1 . . . . . 123 Thr HG22 . 26844 1 1321 . 1 1 123 123 THR HG23 H 1 1.079 0.007 . 1 . . . . . 123 Thr HG23 . 26844 1 1322 . 1 1 123 123 THR C C 13 176.541 0.456 . 1 . . . . . 123 Thr C . 26844 1 1323 . 1 1 123 123 THR CA C 13 60.189 0.547 . 1 . . . . . 123 Thr CA . 26844 1 1324 . 1 1 123 123 THR CB C 13 70.134 0.547 . 1 . . . . . 123 Thr CB . 26844 1 1325 . 1 1 123 123 THR CG2 C 13 20.342 0.456 . 1 . . . . . 123 Thr CG2 . 26844 1 1326 . 1 1 123 123 THR N N 15 113.927 0.0585 . 1 . . . . . 123 Thr N . 26844 1 1327 . 1 1 124 124 ALA H H 1 8.700 0.007 . 1 . . . . . 124 Ala H . 26844 1 1328 . 1 1 124 124 ALA HA H 1 4.167 0.007 . 1 . . . . . 124 Ala HA . 26844 1 1329 . 1 1 124 124 ALA HB1 H 1 1.331 0.007 . 1 . . . . . 124 Ala HB1 . 26844 1 1330 . 1 1 124 124 ALA HB2 H 1 1.331 0.007 . 1 . . . . . 124 Ala HB2 . 26844 1 1331 . 1 1 124 124 ALA HB3 H 1 1.331 0.007 . 1 . . . . . 124 Ala HB3 . 26844 1 1332 . 1 1 124 124 ALA C C 13 172.872 0.456 . 1 . . . . . 124 Ala C . 26844 1 1333 . 1 1 124 124 ALA CA C 13 52.750 0.547 . 1 . . . . . 124 Ala CA . 26844 1 1334 . 1 1 124 124 ALA CB C 13 18.768 0.547 . 1 . . . . . 124 Ala CB . 26844 1 1335 . 1 1 124 124 ALA N N 15 126.163 0.0585 . 1 . . . . . 124 Ala N . 26844 1 stop_ save_