data_25109 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25109 _Entry.Title ; Solution NMR structure of MAVS CARD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-25 _Entry.Accession_date 2014-07-25 _Entry.Last_release_date 2015-08-31 _Entry.Original_release_date 2015-08-31 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Johannes Spehr . . . 25109 2 Lichun He . . . 25109 3 Thorsten Luehrs . . . 25109 4 Christiane Ritter . . . 25109 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25109 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Helmholtz Centre for Infection Research' . 25109 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'MAVS CARD' . 25109 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25109 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 428 25109 '15N chemical shifts' 116 25109 '1H chemical shifts' 712 25109 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 . . 2015-08-31 . original BMRB . 25109 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MS8 'BMRB Entry Tracking System' 25109 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25109 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; High-resolution solid-state NMR structure of the helical signal transduction filament MAVS CARD ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lichun He . . . 25109 1 2 Benjamin Bardiaux . . . 25109 1 3 Johannes Spehr . . . 25109 1 4 Thorsten Luehrs . . . 25109 1 5 Christiane Ritter . . . 25109 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25109 _Assembly.ID 1 _Assembly.Name 'MAVS CARD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MAVS CARD' 1 $MAVS_CARD A . yes native no no . . . 25109 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MAVS_CARD _Entity.Sf_category entity _Entity.Sf_framecode MAVS_CARD _Entity.Entry_ID 25109 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MAVS_CARD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMPFAEDKTYKYICRNFSN FCNVDVVEILPYLPCLTARD QDRLRATCTLSGNRDTLWHL FNTLQRRPGWVEYFIAALRG CELVDLADEVASVYQSYQPR TS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11817.452 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25076 . MAVS_CARD . . . . . 100.00 102 100.00 100.00 2.87e-69 . . . . 25109 1 2 no PDB 2MS7 . "High-resolution Solid-state Nmr Structure Of The Helical Signal Transduction Filament Mavs Card" . . . . . 100.00 102 100.00 100.00 2.87e-69 . . . . 25109 1 3 no PDB 2MS8 . "Solution Nmr Structure Of Mavs Card" . . . . . 100.00 102 100.00 100.00 2.87e-69 . . . . 25109 1 4 no PDB 2VGQ . "Crystal Structure Of Human Ips-1 Card" . . . . . 92.16 477 97.87 98.94 1.87e-62 . . . . 25109 1 5 no PDB 3J6C . "Cryo-em Structure Of Mavs Card Filament" . . . . . 91.18 93 98.92 98.92 4.12e-61 . . . . 25109 1 6 no PDB 3J6J . "3.6 Angstrom Resolution Mavs Filament Generated From Helical Reconstruction" . . . . . 95.10 97 98.97 98.97 1.49e-64 . . . . 25109 1 7 no PDB 4P4H . "Caught-in-action Signaling Complex Of Rig-i 2card Domain And Mavs Card Domain" . . . . . 99.02 108 97.03 99.01 5.17e-67 . . . . 25109 1 8 no DBJ BAA86585 . "KIAA1271 protein [Homo sapiens]" . . . . . 98.04 540 100.00 100.00 2.57e-67 . . . . 25109 1 9 no DBJ BAB14684 . "unnamed protein product [Homo sapiens]" . . . . . 98.04 404 100.00 100.00 8.14e-68 . . . . 25109 1 10 no DBJ BAC77356 . "putative NFkB activating protein [Homo sapiens]" . . . . . 98.04 540 99.00 99.00 1.72e-66 . . . . 25109 1 11 no DBJ BAC85473 . "unnamed protein product [Homo sapiens]" . . . . . 96.08 138 98.98 100.00 1.59e-65 . . . . 25109 1 12 no DBJ BAE79738 . "Ips-1 [Homo sapiens]" . . . . . 98.04 540 100.00 100.00 2.57e-67 . . . . 25109 1 13 no GB AAH44952 . "Virus-induced signaling adapter [Homo sapiens]" . . . . . 98.04 540 99.00 100.00 1.02e-66 . . . . 25109 1 14 no GB AAZ80417 . "mitochondrial anti-viral signaling protein [Homo sapiens]" . . . . . 98.04 540 99.00 100.00 1.02e-66 . . . . 25109 1 15 no GB ABA19229 . "CARDIF [Homo sapiens]" . . . . . 98.04 540 99.00 100.00 1.02e-66 . . . . 25109 1 16 no GB ABA54890 . "virus-induced signaling adapter [Homo sapiens]" . . . . . 98.04 540 100.00 100.00 2.57e-67 . . . . 25109 1 17 no GB ABR24162 . "virus-induced signaling adapter variant 1b [Homo sapiens]" . . . . . 96.08 124 98.98 100.00 2.59e-65 . . . . 25109 1 18 no REF NP_065797 . "mitochondrial antiviral-signaling protein isoform 1 [Homo sapiens]" . . . . . 98.04 540 100.00 100.00 2.57e-67 . . . . 25109 1 19 no REF XP_003821366 . "PREDICTED: mitochondrial antiviral-signaling protein isoform X1 [Pan paniscus]" . . . . . 98.04 540 100.00 100.00 3.01e-67 . . . . 25109 1 20 no REF XP_008973040 . "PREDICTED: mitochondrial antiviral-signaling protein isoform X1 [Pan paniscus]" . . . . . 98.04 540 100.00 100.00 3.01e-67 . . . . 25109 1 21 no REF XP_008973041 . "PREDICTED: mitochondrial antiviral-signaling protein isoform X1 [Pan paniscus]" . . . . . 98.04 540 100.00 100.00 3.01e-67 . . . . 25109 1 22 no REF XP_009435017 . "PREDICTED: mitochondrial antiviral-signaling protein isoform X1 [Pan troglodytes]" . . . . . 98.04 541 100.00 100.00 2.70e-67 . . . . 25109 1 23 no SP Q7Z434 . "RecName: Full=Mitochondrial antiviral-signaling protein; Short=MAVS; AltName: Full=CARD adapter inducing interferon beta; Short" . . . . . 98.04 540 100.00 100.00 2.57e-67 . . . . 25109 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 25109 1 2 0 SER . 25109 1 3 1 MET . 25109 1 4 2 PRO . 25109 1 5 3 PHE . 25109 1 6 4 ALA . 25109 1 7 5 GLU . 25109 1 8 6 ASP . 25109 1 9 7 LYS . 25109 1 10 8 THR . 25109 1 11 9 TYR . 25109 1 12 10 LYS . 25109 1 13 11 TYR . 25109 1 14 12 ILE . 25109 1 15 13 CYS . 25109 1 16 14 ARG . 25109 1 17 15 ASN . 25109 1 18 16 PHE . 25109 1 19 17 SER . 25109 1 20 18 ASN . 25109 1 21 19 PHE . 25109 1 22 20 CYS . 25109 1 23 21 ASN . 25109 1 24 22 VAL . 25109 1 25 23 ASP . 25109 1 26 24 VAL . 25109 1 27 25 VAL . 25109 1 28 26 GLU . 25109 1 29 27 ILE . 25109 1 30 28 LEU . 25109 1 31 29 PRO . 25109 1 32 30 TYR . 25109 1 33 31 LEU . 25109 1 34 32 PRO . 25109 1 35 33 CYS . 25109 1 36 34 LEU . 25109 1 37 35 THR . 25109 1 38 36 ALA . 25109 1 39 37 ARG . 25109 1 40 38 ASP . 25109 1 41 39 GLN . 25109 1 42 40 ASP . 25109 1 43 41 ARG . 25109 1 44 42 LEU . 25109 1 45 43 ARG . 25109 1 46 44 ALA . 25109 1 47 45 THR . 25109 1 48 46 CYS . 25109 1 49 47 THR . 25109 1 50 48 LEU . 25109 1 51 49 SER . 25109 1 52 50 GLY . 25109 1 53 51 ASN . 25109 1 54 52 ARG . 25109 1 55 53 ASP . 25109 1 56 54 THR . 25109 1 57 55 LEU . 25109 1 58 56 TRP . 25109 1 59 57 HIS . 25109 1 60 58 LEU . 25109 1 61 59 PHE . 25109 1 62 60 ASN . 25109 1 63 61 THR . 25109 1 64 62 LEU . 25109 1 65 63 GLN . 25109 1 66 64 ARG . 25109 1 67 65 ARG . 25109 1 68 66 PRO . 25109 1 69 67 GLY . 25109 1 70 68 TRP . 25109 1 71 69 VAL . 25109 1 72 70 GLU . 25109 1 73 71 TYR . 25109 1 74 72 PHE . 25109 1 75 73 ILE . 25109 1 76 74 ALA . 25109 1 77 75 ALA . 25109 1 78 76 LEU . 25109 1 79 77 ARG . 25109 1 80 78 GLY . 25109 1 81 79 CYS . 25109 1 82 80 GLU . 25109 1 83 81 LEU . 25109 1 84 82 VAL . 25109 1 85 83 ASP . 25109 1 86 84 LEU . 25109 1 87 85 ALA . 25109 1 88 86 ASP . 25109 1 89 87 GLU . 25109 1 90 88 VAL . 25109 1 91 89 ALA . 25109 1 92 90 SER . 25109 1 93 91 VAL . 25109 1 94 92 TYR . 25109 1 95 93 GLN . 25109 1 96 94 SER . 25109 1 97 95 TYR . 25109 1 98 96 GLN . 25109 1 99 97 PRO . 25109 1 100 98 ARG . 25109 1 101 99 THR . 25109 1 102 100 SER . 25109 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 25109 1 . SER 2 2 25109 1 . MET 3 3 25109 1 . PRO 4 4 25109 1 . PHE 5 5 25109 1 . ALA 6 6 25109 1 . GLU 7 7 25109 1 . ASP 8 8 25109 1 . LYS 9 9 25109 1 . THR 10 10 25109 1 . TYR 11 11 25109 1 . LYS 12 12 25109 1 . TYR 13 13 25109 1 . ILE 14 14 25109 1 . CYS 15 15 25109 1 . ARG 16 16 25109 1 . ASN 17 17 25109 1 . PHE 18 18 25109 1 . SER 19 19 25109 1 . ASN 20 20 25109 1 . PHE 21 21 25109 1 . CYS 22 22 25109 1 . ASN 23 23 25109 1 . VAL 24 24 25109 1 . ASP 25 25 25109 1 . VAL 26 26 25109 1 . VAL 27 27 25109 1 . GLU 28 28 25109 1 . ILE 29 29 25109 1 . LEU 30 30 25109 1 . PRO 31 31 25109 1 . TYR 32 32 25109 1 . LEU 33 33 25109 1 . PRO 34 34 25109 1 . CYS 35 35 25109 1 . LEU 36 36 25109 1 . THR 37 37 25109 1 . ALA 38 38 25109 1 . ARG 39 39 25109 1 . ASP 40 40 25109 1 . GLN 41 41 25109 1 . ASP 42 42 25109 1 . ARG 43 43 25109 1 . LEU 44 44 25109 1 . ARG 45 45 25109 1 . ALA 46 46 25109 1 . THR 47 47 25109 1 . CYS 48 48 25109 1 . THR 49 49 25109 1 . LEU 50 50 25109 1 . SER 51 51 25109 1 . GLY 52 52 25109 1 . ASN 53 53 25109 1 . ARG 54 54 25109 1 . ASP 55 55 25109 1 . THR 56 56 25109 1 . LEU 57 57 25109 1 . TRP 58 58 25109 1 . HIS 59 59 25109 1 . LEU 60 60 25109 1 . PHE 61 61 25109 1 . ASN 62 62 25109 1 . THR 63 63 25109 1 . LEU 64 64 25109 1 . GLN 65 65 25109 1 . ARG 66 66 25109 1 . ARG 67 67 25109 1 . PRO 68 68 25109 1 . GLY 69 69 25109 1 . TRP 70 70 25109 1 . VAL 71 71 25109 1 . GLU 72 72 25109 1 . TYR 73 73 25109 1 . PHE 74 74 25109 1 . ILE 75 75 25109 1 . ALA 76 76 25109 1 . ALA 77 77 25109 1 . LEU 78 78 25109 1 . ARG 79 79 25109 1 . GLY 80 80 25109 1 . CYS 81 81 25109 1 . GLU 82 82 25109 1 . LEU 83 83 25109 1 . VAL 84 84 25109 1 . ASP 85 85 25109 1 . LEU 86 86 25109 1 . ALA 87 87 25109 1 . ASP 88 88 25109 1 . GLU 89 89 25109 1 . VAL 90 90 25109 1 . ALA 91 91 25109 1 . SER 92 92 25109 1 . VAL 93 93 25109 1 . TYR 94 94 25109 1 . GLN 95 95 25109 1 . SER 96 96 25109 1 . TYR 97 97 25109 1 . GLN 98 98 25109 1 . PRO 99 99 25109 1 . ARG 100 100 25109 1 . THR 101 101 25109 1 . SER 102 102 25109 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 25109 _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 $MAVS_CARD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25109 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 25109 _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 $MAVS_CARD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21-d . . . 25109 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25109 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3 mM uniformly 13C, 15N-labled MAVS-CARD in 50 mM sodium phosphate buffer with 7% D2O and 1 mM DTT at pH 3.0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'MAVS CARD' '[U-99% 13C; U-99% 15N]' . . 1 $MAVS_CARD . . 300 . . uM . . . . 25109 1 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 25109 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25109 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25109 _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' 50 . mM 25109 1 pH 3 . pH 25109 1 pressure 1 . atm 25109 1 temperature 298 . K 25109 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25109 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25109 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25109 1 'data analysis' 25109 1 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 25109 _Software.ID 2 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 25109 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25109 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25109 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25109 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25109 3 processing 25109 3 stop_ save_ save_UNIO_10 _Software.Sf_category software _Software.Sf_framecode UNIO_10 _Software.Entry_ID 25109 _Software.ID 4 _Software.Name UNIO_10 _Software.Version 2.0.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Thorsten Herrmann' ; Dr. Torsten Herrmann Centre de RMN Tr s Hauts Champs Universit de Lyon/UMR 5280 CNRS / ENS Lyon 5 rue de la Doua 69100 Villeurbanne, France ; torsten.herrmann@ens-lyon.fr 25109 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 25109 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25109 _Software.ID 5 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25109 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25109 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25109 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25109 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25109 6 stop_ save_ save_ATNOS _Software.Sf_category software _Software.Sf_framecode ATNOS _Software.Entry_ID 25109 _Software.ID 7 _Software.Name ATNOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 25109 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25109 7 stop_ save_ save_CANDID _Software.Sf_category software _Software.Sf_framecode CANDID _Software.Entry_ID 25109 _Software.ID 8 _Software.Name CANDID _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 25109 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25109 8 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25109 _Software.ID 9 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25109 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25109 9 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 25109 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25109 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25109 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 25109 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25109 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25109 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25109 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25109 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25109 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25109 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25109 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25109 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25109 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25109 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25109 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25109 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 25109 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . . . . . 25109 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . . . . . 25109 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . . . . . 25109 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_solution_NMR _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_solution_NMR _Assigned_chem_shift_list.Entry_ID 25109 _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' . . . 25109 1 2 '2D 1H-13C HSQC aromatic' . . . 25109 1 3 '2D 1H-13C HSQC aliphatic' . . . 25109 1 4 '3D CBCA(CO)NH' . . . 25109 1 5 '3D HNCO' . . . 25109 1 6 '3D HN(CO)CA' . . . 25109 1 7 '3D HNCACB' . . . 25109 1 8 '3D 1H-15N TOCSY' . . . 25109 1 11 '3D 1H-13C NOESY aromatic' . . . 25109 1 12 '3D HCCH-TOCSY' . . . 25109 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 25109 1 2 $PROSA . . 25109 1 3 $TOPSPIN . . 25109 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.618 0.020 . 1 . . . A -1 GLY H1 . 25109 1 2 . 1 1 1 1 GLY HA2 H 1 3.837 0.020 . 1 . . . A -1 GLY HA2 . 25109 1 3 . 1 1 1 1 GLY HA3 H 1 3.837 0.020 . 1 . . . A -1 GLY HA3 . 25109 1 4 . 1 1 1 1 GLY CA C 13 43.545 0.3 . 1 . . . A -1 GLY CA . 25109 1 5 . 1 1 2 2 SER H H 1 8.631 0.020 . 1 . . . A 0 SER H . 25109 1 6 . 1 1 2 2 SER HA H 1 4.531 0.020 . 1 . . . A 0 SER HA . 25109 1 7 . 1 1 2 2 SER HB2 H 1 3.861 0.020 . 1 . . . A 0 SER HB2 . 25109 1 8 . 1 1 2 2 SER HB3 H 1 3.861 0.020 . 1 . . . A 0 SER HB3 . 25109 1 9 . 1 1 2 2 SER C C 13 174.557 0.3 . 1 . . . A 0 SER C . 25109 1 10 . 1 1 2 2 SER CA C 13 58.478 0.3 . 1 . . . A 0 SER CA . 25109 1 11 . 1 1 2 2 SER CB C 13 64.380 0.3 . 1 . . . A 0 SER CB . 25109 1 12 . 1 1 2 2 SER N N 15 115.693 0.3 . 1 . . . A 0 SER N . 25109 1 13 . 1 1 3 3 MET H H 1 8.641 0.020 . 1 . . . A 1 MET H . 25109 1 14 . 1 1 3 3 MET HA H 1 4.728 0.020 . 1 . . . A 1 MET HA . 25109 1 15 . 1 1 3 3 MET HB2 H 1 2.081 0.020 . 1 . . . A 1 MET HB2 . 25109 1 16 . 1 1 3 3 MET HB3 H 1 2.081 0.020 . 1 . . . A 1 MET HB3 . 25109 1 17 . 1 1 3 3 MET HG2 H 1 2.711 0.020 . 2 . . . A 1 MET HG2 . 25109 1 18 . 1 1 3 3 MET HG3 H 1 2.509 0.020 . 2 . . . A 1 MET HG3 . 25109 1 19 . 1 1 3 3 MET C C 13 174.846 0.3 . 1 . . . A 1 MET C . 25109 1 20 . 1 1 3 3 MET CA C 13 55.655 0.3 . 1 . . . A 1 MET CA . 25109 1 21 . 1 1 3 3 MET CB C 13 32.035 0.3 . 1 . . . A 1 MET CB . 25109 1 22 . 1 1 3 3 MET CG C 13 32.292 0.3 . 1 . . . A 1 MET CG . 25109 1 23 . 1 1 3 3 MET N N 15 123.111 0.3 . 1 . . . A 1 MET N . 25109 1 24 . 1 1 4 4 PRO HA H 1 4.477 0.020 . 1 . . . A 2 PRO HA . 25109 1 25 . 1 1 4 4 PRO HB2 H 1 2.369 0.020 . 2 . . . A 2 PRO HB2 . 25109 1 26 . 1 1 4 4 PRO HB3 H 1 1.937 0.020 . 2 . . . A 2 PRO HB3 . 25109 1 27 . 1 1 4 4 PRO HG2 H 1 2.080 0.020 . 2 . . . A 2 PRO HG2 . 25109 1 28 . 1 1 4 4 PRO HG3 H 1 1.999 0.020 . 2 . . . A 2 PRO HG3 . 25109 1 29 . 1 1 4 4 PRO HD2 H 1 3.856 0.020 . 2 . . . A 2 PRO HD2 . 25109 1 30 . 1 1 4 4 PRO HD3 H 1 3.753 0.020 . 2 . . . A 2 PRO HD3 . 25109 1 31 . 1 1 4 4 PRO CB C 13 32.000 0.3 . 1 . . . A 2 PRO CB . 25109 1 32 . 1 1 4 4 PRO CG C 13 28.106 0.3 . 1 . . . A 2 PRO CG . 25109 1 33 . 1 1 4 4 PRO CD C 13 50.733 0.3 . 1 . . . A 2 PRO CD . 25109 1 34 . 1 1 5 5 PHE H H 1 8.177 0.020 . 1 . . . A 3 PHE H . 25109 1 35 . 1 1 5 5 PHE HA H 1 4.366 0.020 . 1 . . . A 3 PHE HA . 25109 1 36 . 1 1 5 5 PHE HB2 H 1 3.214 0.020 . 2 . . . A 3 PHE HB2 . 25109 1 37 . 1 1 5 5 PHE HB3 H 1 3.101 0.020 . 2 . . . A 3 PHE HB3 . 25109 1 38 . 1 1 5 5 PHE HD1 H 1 7.270 0.020 . 1 . . . A 3 PHE HD1 . 25109 1 39 . 1 1 5 5 PHE HD2 H 1 7.270 0.020 . 1 . . . A 3 PHE HD2 . 25109 1 40 . 1 1 5 5 PHE CA C 13 60.862 0.3 . 1 . . . A 3 PHE CA . 25109 1 41 . 1 1 5 5 PHE CB C 13 39.368 0.3 . 1 . . . A 3 PHE CB . 25109 1 42 . 1 1 5 5 PHE CD1 C 13 132.060 0.3 . 1 . . . A 3 PHE CD1 . 25109 1 43 . 1 1 5 5 PHE CD2 C 13 132.060 0.3 . 1 . . . A 3 PHE CD2 . 25109 1 44 . 1 1 5 5 PHE N N 15 121.126 0.3 . 1 . . . A 3 PHE N . 25109 1 45 . 1 1 6 6 ALA H H 1 8.444 0.020 . 1 . . . A 4 ALA H . 25109 1 46 . 1 1 6 6 ALA HA H 1 3.835 0.020 . 1 . . . A 4 ALA HA . 25109 1 47 . 1 1 6 6 ALA HB1 H 1 1.368 0.020 . 1 . . . A 4 ALA HB1 . 25109 1 48 . 1 1 6 6 ALA HB2 H 1 1.368 0.020 . 1 . . . A 4 ALA HB2 . 25109 1 49 . 1 1 6 6 ALA HB3 H 1 1.368 0.020 . 1 . . . A 4 ALA HB3 . 25109 1 50 . 1 1 6 6 ALA C C 13 181.522 0.3 . 1 . . . A 4 ALA C . 25109 1 51 . 1 1 6 6 ALA CA C 13 55.454 0.3 . 1 . . . A 4 ALA CA . 25109 1 52 . 1 1 6 6 ALA CB C 13 19.436 0.3 . 1 . . . A 4 ALA CB . 25109 1 53 . 1 1 6 6 ALA N N 15 121.170 0.3 . 1 . . . A 4 ALA N . 25109 1 54 . 1 1 7 7 GLU H H 1 8.454 0.020 . 1 . . . A 5 GLU H . 25109 1 55 . 1 1 7 7 GLU HA H 1 3.855 0.020 . 1 . . . A 5 GLU HA . 25109 1 56 . 1 1 7 7 GLU HB2 H 1 2.433 0.020 . 2 . . . A 5 GLU HB2 . 25109 1 57 . 1 1 7 7 GLU HB3 H 1 2.413 0.020 . 2 . . . A 5 GLU HB3 . 25109 1 58 . 1 1 7 7 GLU HG2 H 1 2.797 0.020 . 2 . . . A 5 GLU HG2 . 25109 1 59 . 1 1 7 7 GLU HG3 H 1 1.950 0.020 . 2 . . . A 5 GLU HG3 . 25109 1 60 . 1 1 7 7 GLU C C 13 177.971 0.3 . 1 . . . A 5 GLU C . 25109 1 61 . 1 1 7 7 GLU CA C 13 60.631 0.3 . 1 . . . A 5 GLU CA . 25109 1 62 . 1 1 7 7 GLU CB C 13 28.761 0.3 . 1 . . . A 5 GLU CB . 25109 1 63 . 1 1 7 7 GLU CG C 13 36.628 0.3 . 1 . . . A 5 GLU CG . 25109 1 64 . 1 1 7 7 GLU N N 15 118.932 0.3 . 1 . . . A 5 GLU N . 25109 1 65 . 1 1 8 8 ASP H H 1 8.316 0.020 . 1 . . . A 6 ASP H . 25109 1 66 . 1 1 8 8 ASP HB2 H 1 2.958 0.020 . 2 . . . A 6 ASP HB2 . 25109 1 67 . 1 1 8 8 ASP HB3 H 1 2.872 0.020 . 2 . . . A 6 ASP HB3 . 25109 1 68 . 1 1 8 8 ASP C C 13 178.885 0.3 . 1 . . . A 6 ASP C . 25109 1 69 . 1 1 8 8 ASP CA C 13 57.072 0.3 . 1 . . . A 6 ASP CA . 25109 1 70 . 1 1 8 8 ASP CB C 13 39.132 0.3 . 1 . . . A 6 ASP CB . 25109 1 71 . 1 1 8 8 ASP N N 15 120.471 0.3 . 1 . . . A 6 ASP N . 25109 1 72 . 1 1 9 9 LYS H H 1 8.249 0.020 . 1 . . . A 7 LYS H . 25109 1 73 . 1 1 9 9 LYS HA H 1 3.690 0.020 . 1 . . . A 7 LYS HA . 25109 1 74 . 1 1 9 9 LYS HB2 H 1 1.091 0.020 . 2 . . . A 7 LYS HB2 . 25109 1 75 . 1 1 9 9 LYS HB3 H 1 0.736 0.020 . 2 . . . A 7 LYS HB3 . 25109 1 76 . 1 1 9 9 LYS HG2 H 1 0.724 0.020 . 2 . . . A 7 LYS HG2 . 25109 1 77 . 1 1 9 9 LYS HG3 H 1 0.532 0.020 . 2 . . . A 7 LYS HG3 . 25109 1 78 . 1 1 9 9 LYS HD2 H 1 1.131 0.020 . 2 . . . A 7 LYS HD2 . 25109 1 79 . 1 1 9 9 LYS HD3 H 1 1.109 0.020 . 2 . . . A 7 LYS HD3 . 25109 1 80 . 1 1 9 9 LYS HE2 H 1 2.621 0.020 . 2 . . . A 7 LYS HE2 . 25109 1 81 . 1 1 9 9 LYS HE3 H 1 2.525 0.020 . 2 . . . A 7 LYS HE3 . 25109 1 82 . 1 1 9 9 LYS C C 13 180.080 0.3 . 1 . . . A 7 LYS C . 25109 1 83 . 1 1 9 9 LYS CA C 13 58.720 0.3 . 1 . . . A 7 LYS CA . 25109 1 84 . 1 1 9 9 LYS CB C 13 31.794 0.3 . 1 . . . A 7 LYS CB . 25109 1 85 . 1 1 9 9 LYS CG C 13 24.759 0.3 . 1 . . . A 7 LYS CG . 25109 1 86 . 1 1 9 9 LYS CD C 13 28.637 0.3 . 1 . . . A 7 LYS CD . 25109 1 87 . 1 1 9 9 LYS CE C 13 42.438 0.3 . 1 . . . A 7 LYS CE . 25109 1 88 . 1 1 9 9 LYS N N 15 118.335 0.3 . 1 . . . A 7 LYS N . 25109 1 89 . 1 1 10 10 THR H H 1 7.897 0.020 . 1 . . . A 8 THR H . 25109 1 90 . 1 1 10 10 THR HA H 1 3.975 0.020 . 1 . . . A 8 THR HA . 25109 1 91 . 1 1 10 10 THR HB H 1 4.305 0.020 . 1 . . . A 8 THR HB . 25109 1 92 . 1 1 10 10 THR HG21 H 1 1.115 0.020 . 1 . . . A 8 THR HG21 . 25109 1 93 . 1 1 10 10 THR HG22 H 1 1.115 0.020 . 1 . . . A 8 THR HG22 . 25109 1 94 . 1 1 10 10 THR HG23 H 1 1.115 0.020 . 1 . . . A 8 THR HG23 . 25109 1 95 . 1 1 10 10 THR CA C 13 68.453 0.3 . 1 . . . A 8 THR CA . 25109 1 96 . 1 1 10 10 THR CB C 13 67.387 0.3 . 1 . . . A 8 THR CB . 25109 1 97 . 1 1 10 10 THR CG2 C 13 21.649 0.3 . 1 . . . A 8 THR CG2 . 25109 1 98 . 1 1 10 10 THR N N 15 119.222 0.3 . 1 . . . A 8 THR N . 25109 1 99 . 1 1 11 11 TYR H H 1 8.605 0.020 . 1 . . . A 9 TYR H . 25109 1 100 . 1 1 11 11 TYR HA H 1 4.253 0.020 . 1 . . . A 9 TYR HA . 25109 1 101 . 1 1 11 11 TYR HB2 H 1 3.401 0.020 . 2 . . . A 9 TYR HB2 . 25109 1 102 . 1 1 11 11 TYR HB3 H 1 3.294 0.020 . 2 . . . A 9 TYR HB3 . 25109 1 103 . 1 1 11 11 TYR HD1 H 1 6.649 0.020 . 1 . . . A 9 TYR HD1 . 25109 1 104 . 1 1 11 11 TYR HD2 H 1 6.649 0.020 . 1 . . . A 9 TYR HD2 . 25109 1 105 . 1 1 11 11 TYR HE1 H 1 6.246 0.020 . 1 . . . A 9 TYR HE1 . 25109 1 106 . 1 1 11 11 TYR HE2 H 1 6.246 0.020 . 1 . . . A 9 TYR HE2 . 25109 1 107 . 1 1 11 11 TYR C C 13 177.441 0.3 . 1 . . . A 9 TYR C . 25109 1 108 . 1 1 11 11 TYR CA C 13 61.898 0.3 . 1 . . . A 9 TYR CA . 25109 1 109 . 1 1 11 11 TYR CB C 13 37.849 0.3 . 1 . . . A 9 TYR CB . 25109 1 110 . 1 1 11 11 TYR CD1 C 13 132.642 0.3 . 1 . . . A 9 TYR CD1 . 25109 1 111 . 1 1 11 11 TYR CD2 C 13 132.642 0.3 . 1 . . . A 9 TYR CD2 . 25109 1 112 . 1 1 11 11 TYR CE1 C 13 118.647 0.3 . 1 . . . A 9 TYR CE1 . 25109 1 113 . 1 1 11 11 TYR CE2 C 13 118.647 0.3 . 1 . . . A 9 TYR CE2 . 25109 1 114 . 1 1 11 11 TYR N N 15 123.054 0.3 . 1 . . . A 9 TYR N . 25109 1 115 . 1 1 12 12 LYS H H 1 8.066 0.020 . 1 . . . A 10 LYS H . 25109 1 116 . 1 1 12 12 LYS HA H 1 3.594 0.020 . 1 . . . A 10 LYS HA . 25109 1 117 . 1 1 12 12 LYS HB2 H 1 1.789 0.020 . 1 . . . A 10 LYS HB2 . 25109 1 118 . 1 1 12 12 LYS HB3 H 1 1.789 0.020 . 1 . . . A 10 LYS HB3 . 25109 1 119 . 1 1 12 12 LYS HG2 H 1 1.593 0.020 . 2 . . . A 10 LYS HG2 . 25109 1 120 . 1 1 12 12 LYS HG3 H 1 1.431 0.020 . 2 . . . A 10 LYS HG3 . 25109 1 121 . 1 1 12 12 LYS HD2 H 1 1.597 0.020 . 2 . . . A 10 LYS HD2 . 25109 1 122 . 1 1 12 12 LYS HD3 H 1 1.522 0.020 . 2 . . . A 10 LYS HD3 . 25109 1 123 . 1 1 12 12 LYS HE2 H 1 2.937 0.020 . 1 . . . A 10 LYS HE2 . 25109 1 124 . 1 1 12 12 LYS HE3 H 1 2.937 0.020 . 1 . . . A 10 LYS HE3 . 25109 1 125 . 1 1 12 12 LYS C C 13 178.885 0.3 . 1 . . . A 10 LYS C . 25109 1 126 . 1 1 12 12 LYS CA C 13 60.044 0.3 . 1 . . . A 10 LYS CA . 25109 1 127 . 1 1 12 12 LYS CB C 13 32.045 0.3 . 1 . . . A 10 LYS CB . 25109 1 128 . 1 1 12 12 LYS CG C 13 25.820 0.3 . 1 . . . A 10 LYS CG . 25109 1 129 . 1 1 12 12 LYS CD C 13 29.179 0.3 . 1 . . . A 10 LYS CD . 25109 1 130 . 1 1 12 12 LYS CE C 13 42.319 0.3 . 1 . . . A 10 LYS CE . 25109 1 131 . 1 1 12 12 LYS N N 15 118.366 0.3 . 1 . . . A 10 LYS N . 25109 1 132 . 1 1 13 13 TYR H H 1 7.875 0.020 . 1 . . . A 11 TYR H . 25109 1 133 . 1 1 13 13 TYR HA H 1 3.990 0.020 . 1 . . . A 11 TYR HA . 25109 1 134 . 1 1 13 13 TYR HB2 H 1 3.467 0.020 . 2 . . . A 11 TYR HB2 . 25109 1 135 . 1 1 13 13 TYR HB3 H 1 3.275 0.020 . 2 . . . A 11 TYR HB3 . 25109 1 136 . 1 1 13 13 TYR HD1 H 1 7.039 0.020 . 1 . . . A 11 TYR HD1 . 25109 1 137 . 1 1 13 13 TYR HD2 H 1 7.039 0.020 . 1 . . . A 11 TYR HD2 . 25109 1 138 . 1 1 13 13 TYR HE1 H 1 6.751 0.020 . 1 . . . A 11 TYR HE1 . 25109 1 139 . 1 1 13 13 TYR HE2 H 1 6.751 0.020 . 1 . . . A 11 TYR HE2 . 25109 1 140 . 1 1 13 13 TYR C C 13 178.233 0.3 . 1 . . . A 11 TYR C . 25109 1 141 . 1 1 13 13 TYR CA C 13 62.528 0.3 . 1 . . . A 11 TYR CA . 25109 1 142 . 1 1 13 13 TYR CB C 13 38.363 0.3 . 1 . . . A 11 TYR CB . 25109 1 143 . 1 1 13 13 TYR CD1 C 13 133.466 0.3 . 1 . . . A 11 TYR CD1 . 25109 1 144 . 1 1 13 13 TYR CD2 C 13 133.466 0.3 . 1 . . . A 11 TYR CD2 . 25109 1 145 . 1 1 13 13 TYR CE1 C 13 118.683 0.3 . 1 . . . A 11 TYR CE1 . 25109 1 146 . 1 1 13 13 TYR CE2 C 13 118.683 0.3 . 1 . . . A 11 TYR CE2 . 25109 1 147 . 1 1 13 13 TYR N N 15 120.539 0.3 . 1 . . . A 11 TYR N . 25109 1 148 . 1 1 14 14 ILE H H 1 8.154 0.020 . 1 . . . A 12 ILE H . 25109 1 149 . 1 1 14 14 ILE HA H 1 3.096 0.020 . 1 . . . A 12 ILE HA . 25109 1 150 . 1 1 14 14 ILE HB H 1 1.402 0.020 . 1 . . . A 12 ILE HB . 25109 1 151 . 1 1 14 14 ILE HG12 H 1 1.641 0.020 . 2 . . . A 12 ILE HG12 . 25109 1 152 . 1 1 14 14 ILE HG13 H 1 0.403 0.020 . 2 . . . A 12 ILE HG13 . 25109 1 153 . 1 1 14 14 ILE HG21 H 1 0.388 0.020 . 1 . . . A 12 ILE HG21 . 25109 1 154 . 1 1 14 14 ILE HG22 H 1 0.388 0.020 . 1 . . . A 12 ILE HG22 . 25109 1 155 . 1 1 14 14 ILE HG23 H 1 0.388 0.020 . 1 . . . A 12 ILE HG23 . 25109 1 156 . 1 1 14 14 ILE HD11 H 1 -0.487 0.020 . 1 . . . A 12 ILE HD11 . 25109 1 157 . 1 1 14 14 ILE HD12 H 1 -0.487 0.020 . 1 . . . A 12 ILE HD12 . 25109 1 158 . 1 1 14 14 ILE HD13 H 1 -0.487 0.020 . 1 . . . A 12 ILE HD13 . 25109 1 159 . 1 1 14 14 ILE C C 13 177.015 0.3 . 1 . . . A 12 ILE C . 25109 1 160 . 1 1 14 14 ILE CA C 13 65.763 0.3 . 1 . . . A 12 ILE CA . 25109 1 161 . 1 1 14 14 ILE CB C 13 37.552 0.3 . 1 . . . A 12 ILE CB . 25109 1 162 . 1 1 14 14 ILE CG1 C 13 28.484 0.3 . 1 . . . A 12 ILE CG1 . 25109 1 163 . 1 1 14 14 ILE CG2 C 13 14.457 0.3 . 1 . . . A 12 ILE CG2 . 25109 1 164 . 1 1 14 14 ILE CD1 C 13 15.375 0.3 . 1 . . . A 12 ILE CD1 . 25109 1 165 . 1 1 14 14 ILE N N 15 121.893 0.3 . 1 . . . A 12 ILE N . 25109 1 166 . 1 1 15 15 CYS H H 1 7.551 0.020 . 1 . . . A 13 CYS H . 25109 1 167 . 1 1 15 15 CYS HA H 1 3.887 0.020 . 1 . . . A 13 CYS HA . 25109 1 168 . 1 1 15 15 CYS HB2 H 1 2.687 0.020 . 2 . . . A 13 CYS HB2 . 25109 1 169 . 1 1 15 15 CYS HB3 H 1 2.606 0.020 . 2 . . . A 13 CYS HB3 . 25109 1 170 . 1 1 15 15 CYS C C 13 178.288 0.3 . 1 . . . A 13 CYS C . 25109 1 171 . 1 1 15 15 CYS CA C 13 64.337 0.3 . 1 . . . A 13 CYS CA . 25109 1 172 . 1 1 15 15 CYS CB C 13 27.005 0.3 . 1 . . . A 13 CYS CB . 25109 1 173 . 1 1 15 15 CYS N N 15 113.894 0.3 . 1 . . . A 13 CYS N . 25109 1 174 . 1 1 16 16 ARG H H 1 7.991 0.020 . 1 . . . A 14 ARG H . 25109 1 175 . 1 1 16 16 ARG HA H 1 4.070 0.020 . 1 . . . A 14 ARG HA . 25109 1 176 . 1 1 16 16 ARG HB2 H 1 1.759 0.020 . 2 . . . A 14 ARG HB2 . 25109 1 177 . 1 1 16 16 ARG HB3 H 1 1.700 0.020 . 2 . . . A 14 ARG HB3 . 25109 1 178 . 1 1 16 16 ARG HG2 H 1 1.622 0.020 . 2 . . . A 14 ARG HG2 . 25109 1 179 . 1 1 16 16 ARG HG3 H 1 1.546 0.020 . 2 . . . A 14 ARG HG3 . 25109 1 180 . 1 1 16 16 ARG HD2 H 1 3.124 0.020 . 1 . . . A 14 ARG HD2 . 25109 1 181 . 1 1 16 16 ARG HD3 H 1 3.124 0.020 . 1 . . . A 14 ARG HD3 . 25109 1 182 . 1 1 16 16 ARG HE H 1 7.224 0.020 . 1 . . . A 14 ARG HE . 25109 1 183 . 1 1 16 16 ARG C C 13 177.127 0.3 . 1 . . . A 14 ARG C . 25109 1 184 . 1 1 16 16 ARG CA C 13 58.494 0.3 . 1 . . . A 14 ARG CA . 25109 1 185 . 1 1 16 16 ARG CB C 13 30.422 0.3 . 1 . . . A 14 ARG CB . 25109 1 186 . 1 1 16 16 ARG CG C 13 27.481 0.3 . 1 . . . A 14 ARG CG . 25109 1 187 . 1 1 16 16 ARG CD C 13 43.555 0.3 . 1 . . . A 14 ARG CD . 25109 1 188 . 1 1 16 16 ARG N N 15 119.228 0.3 . 1 . . . A 14 ARG N . 25109 1 189 . 1 1 16 16 ARG NE N 15 84.347 0.3 . 1 . . . A 14 ARG NE . 25109 1 190 . 1 1 17 17 ASN H H 1 7.643 0.020 . 1 . . . A 15 ASN H . 25109 1 191 . 1 1 17 17 ASN HA H 1 4.969 0.020 . 1 . . . A 15 ASN HA . 25109 1 192 . 1 1 17 17 ASN HB2 H 1 2.811 0.020 . 2 . . . A 15 ASN HB2 . 25109 1 193 . 1 1 17 17 ASN HB3 H 1 2.042 0.020 . 2 . . . A 15 ASN HB3 . 25109 1 194 . 1 1 17 17 ASN HD21 H 1 6.796 0.020 . 1 . . . A 15 ASN HD21 . 25109 1 195 . 1 1 17 17 ASN HD22 H 1 6.165 0.020 . 1 . . . A 15 ASN HD22 . 25109 1 196 . 1 1 17 17 ASN CA C 13 52.763 0.3 . 1 . . . A 15 ASN CA . 25109 1 197 . 1 1 17 17 ASN CB C 13 38.585 0.3 . 1 . . . A 15 ASN CB . 25109 1 198 . 1 1 17 17 ASN N N 15 117.367 0.3 . 1 . . . A 15 ASN N . 25109 1 199 . 1 1 17 17 ASN ND2 N 15 117.197 0.3 . 1 . . . A 15 ASN ND2 . 25109 1 200 . 1 1 18 18 PHE H H 1 6.992 0.020 . 1 . . . A 16 PHE H . 25109 1 201 . 1 1 18 18 PHE HA H 1 4.216 0.020 . 1 . . . A 16 PHE HA . 25109 1 202 . 1 1 18 18 PHE HB2 H 1 3.568 0.020 . 2 . . . A 16 PHE HB2 . 25109 1 203 . 1 1 18 18 PHE HB3 H 1 2.892 0.020 . 2 . . . A 16 PHE HB3 . 25109 1 204 . 1 1 18 18 PHE HD1 H 1 6.894 0.020 . 1 . . . A 16 PHE HD1 . 25109 1 205 . 1 1 18 18 PHE HD2 H 1 6.894 0.020 . 1 . . . A 16 PHE HD2 . 25109 1 206 . 1 1 18 18 PHE C C 13 178.084 0.3 . 1 . . . A 16 PHE C . 25109 1 207 . 1 1 18 18 PHE CA C 13 63.177 0.3 . 1 . . . A 16 PHE CA . 25109 1 208 . 1 1 18 18 PHE CB C 13 40.589 0.3 . 1 . . . A 16 PHE CB . 25109 1 209 . 1 1 18 18 PHE CD1 C 13 131.743 0.3 . 1 . . . A 16 PHE CD1 . 25109 1 210 . 1 1 18 18 PHE CD2 C 13 131.743 0.3 . 1 . . . A 16 PHE CD2 . 25109 1 211 . 1 1 18 18 PHE N N 15 122.356 0.3 . 1 . . . A 16 PHE N . 25109 1 212 . 1 1 19 19 SER H H 1 8.840 0.020 . 1 . . . A 17 SER H . 25109 1 213 . 1 1 19 19 SER HA H 1 4.199 0.020 . 1 . . . A 17 SER HA . 25109 1 214 . 1 1 19 19 SER HB2 H 1 3.919 0.020 . 1 . . . A 17 SER HB2 . 25109 1 215 . 1 1 19 19 SER HB3 H 1 3.919 0.020 . 1 . . . A 17 SER HB3 . 25109 1 216 . 1 1 19 19 SER C C 13 176.726 0.3 . 1 . . . A 17 SER C . 25109 1 217 . 1 1 19 19 SER CA C 13 62.052 0.3 . 1 . . . A 17 SER CA . 25109 1 218 . 1 1 19 19 SER CB C 13 62.552 0.3 . 1 . . . A 17 SER CB . 25109 1 219 . 1 1 19 19 SER N N 15 112.937 0.3 . 1 . . . A 17 SER N . 25109 1 220 . 1 1 20 20 ASN H H 1 8.130 0.020 . 1 . . . A 18 ASN H . 25109 1 221 . 1 1 20 20 ASN HA H 1 4.358 0.020 . 1 . . . A 18 ASN HA . 25109 1 222 . 1 1 20 20 ASN HB2 H 1 2.655 0.020 . 2 . . . A 18 ASN HB2 . 25109 1 223 . 1 1 20 20 ASN HB3 H 1 2.380 0.020 . 2 . . . A 18 ASN HB3 . 25109 1 224 . 1 1 20 20 ASN HD21 H 1 7.223 0.020 . 1 . . . A 18 ASN HD21 . 25109 1 225 . 1 1 20 20 ASN HD22 H 1 6.969 0.020 . 1 . . . A 18 ASN HD22 . 25109 1 226 . 1 1 20 20 ASN C C 13 175.967 0.3 . 1 . . . A 18 ASN C . 25109 1 227 . 1 1 20 20 ASN CA C 13 54.910 0.3 . 1 . . . A 18 ASN CA . 25109 1 228 . 1 1 20 20 ASN CB C 13 37.828 0.3 . 1 . . . A 18 ASN CB . 25109 1 229 . 1 1 20 20 ASN N N 15 118.809 0.3 . 1 . . . A 18 ASN N . 25109 1 230 . 1 1 20 20 ASN ND2 N 15 111.354 0.3 . 1 . . . A 18 ASN ND2 . 25109 1 231 . 1 1 21 21 PHE H H 1 8.062 0.020 . 1 . . . A 19 PHE H . 25109 1 232 . 1 1 21 21 PHE HA H 1 4.285 0.020 . 1 . . . A 19 PHE HA . 25109 1 233 . 1 1 21 21 PHE HB2 H 1 3.408 0.020 . 2 . . . A 19 PHE HB2 . 25109 1 234 . 1 1 21 21 PHE HB3 H 1 2.702 0.020 . 2 . . . A 19 PHE HB3 . 25109 1 235 . 1 1 21 21 PHE HD1 H 1 7.316 0.020 . 1 . . . A 19 PHE HD1 . 25109 1 236 . 1 1 21 21 PHE HD2 H 1 7.316 0.020 . 1 . . . A 19 PHE HD2 . 25109 1 237 . 1 1 21 21 PHE C C 13 175.370 0.3 . 1 . . . A 19 PHE C . 25109 1 238 . 1 1 21 21 PHE CA C 13 58.862 0.3 . 1 . . . A 19 PHE CA . 25109 1 239 . 1 1 21 21 PHE CB C 13 39.878 0.3 . 1 . . . A 19 PHE CB . 25109 1 240 . 1 1 21 21 PHE CD1 C 13 132.788 0.3 . 1 . . . A 19 PHE CD1 . 25109 1 241 . 1 1 21 21 PHE CD2 C 13 132.788 0.3 . 1 . . . A 19 PHE CD2 . 25109 1 242 . 1 1 21 21 PHE N N 15 115.750 0.3 . 1 . . . A 19 PHE N . 25109 1 243 . 1 1 22 22 CYS H H 1 6.850 0.020 . 1 . . . A 20 CYS H . 25109 1 244 . 1 1 22 22 CYS HA H 1 3.943 0.020 . 1 . . . A 20 CYS HA . 25109 1 245 . 1 1 22 22 CYS HB2 H 1 2.834 0.020 . 2 . . . A 20 CYS HB2 . 25109 1 246 . 1 1 22 22 CYS HB3 H 1 2.613 0.020 . 2 . . . A 20 CYS HB3 . 25109 1 247 . 1 1 22 22 CYS C C 13 173.823 0.3 . 1 . . . A 20 CYS C . 25109 1 248 . 1 1 22 22 CYS CA C 13 61.788 0.3 . 1 . . . A 20 CYS CA . 25109 1 249 . 1 1 22 22 CYS CB C 13 27.383 0.3 . 1 . . . A 20 CYS CB . 25109 1 250 . 1 1 22 22 CYS N N 15 113.958 0.3 . 1 . . . A 20 CYS N . 25109 1 251 . 1 1 23 23 ASN H H 1 8.251 0.020 . 1 . . . A 21 ASN H . 25109 1 252 . 1 1 23 23 ASN HA H 1 4.744 0.020 . 1 . . . A 21 ASN HA . 25109 1 253 . 1 1 23 23 ASN HB2 H 1 2.808 0.020 . 2 . . . A 21 ASN HB2 . 25109 1 254 . 1 1 23 23 ASN HB3 H 1 2.511 0.020 . 2 . . . A 21 ASN HB3 . 25109 1 255 . 1 1 23 23 ASN HD21 H 1 7.434 0.020 . 1 . . . A 21 ASN HD21 . 25109 1 256 . 1 1 23 23 ASN HD22 H 1 6.710 0.020 . 1 . . . A 21 ASN HD22 . 25109 1 257 . 1 1 23 23 ASN C C 13 175.299 0.3 . 1 . . . A 21 ASN C . 25109 1 258 . 1 1 23 23 ASN CA C 13 53.290 0.3 . 1 . . . A 21 ASN CA . 25109 1 259 . 1 1 23 23 ASN CB C 13 38.313 0.3 . 1 . . . A 21 ASN CB . 25109 1 260 . 1 1 23 23 ASN N N 15 116.691 0.3 . 1 . . . A 21 ASN N . 25109 1 261 . 1 1 23 23 ASN ND2 N 15 112.948 0.3 . 1 . . . A 21 ASN ND2 . 25109 1 262 . 1 1 24 24 VAL H H 1 7.573 0.020 . 1 . . . A 22 VAL H . 25109 1 263 . 1 1 24 24 VAL HA H 1 3.550 0.020 . 1 . . . A 22 VAL HA . 25109 1 264 . 1 1 24 24 VAL HB H 1 2.366 0.020 . 1 . . . A 22 VAL HB . 25109 1 265 . 1 1 24 24 VAL HG11 H 1 1.055 0.020 . 2 . . . A 22 VAL HG11 . 25109 1 266 . 1 1 24 24 VAL HG12 H 1 1.055 0.020 . 2 . . . A 22 VAL HG12 . 25109 1 267 . 1 1 24 24 VAL HG13 H 1 1.055 0.020 . 2 . . . A 22 VAL HG13 . 25109 1 268 . 1 1 24 24 VAL HG21 H 1 0.782 0.020 . 2 . . . A 22 VAL HG21 . 25109 1 269 . 1 1 24 24 VAL HG22 H 1 0.782 0.020 . 2 . . . A 22 VAL HG22 . 25109 1 270 . 1 1 24 24 VAL HG23 H 1 0.782 0.020 . 2 . . . A 22 VAL HG23 . 25109 1 271 . 1 1 24 24 VAL C C 13 174.034 0.3 . 1 . . . A 22 VAL C . 25109 1 272 . 1 1 24 24 VAL CA C 13 63.937 0.3 . 1 . . . A 22 VAL CA . 25109 1 273 . 1 1 24 24 VAL CB C 13 31.523 0.3 . 1 . . . A 22 VAL CB . 25109 1 274 . 1 1 24 24 VAL CG1 C 13 23.615 0.3 . 1 . . . A 22 VAL CG1 . 25109 1 275 . 1 1 24 24 VAL CG2 C 13 22.032 0.3 . 1 . . . A 22 VAL CG2 . 25109 1 276 . 1 1 24 24 VAL N N 15 122.431 0.3 . 1 . . . A 22 VAL N . 25109 1 277 . 1 1 25 25 ASP H H 1 8.687 0.020 . 1 . . . A 23 ASP H . 25109 1 278 . 1 1 25 25 ASP HB2 H 1 3.059 0.020 . 2 . . . A 23 ASP HB2 . 25109 1 279 . 1 1 25 25 ASP HB3 H 1 2.734 0.020 . 2 . . . A 23 ASP HB3 . 25109 1 280 . 1 1 25 25 ASP CA C 13 52.186 0.3 . 1 . . . A 23 ASP CA . 25109 1 281 . 1 1 25 25 ASP CB C 13 38.793 0.3 . 1 . . . A 23 ASP CB . 25109 1 282 . 1 1 25 25 ASP N N 15 127.219 0.3 . 1 . . . A 23 ASP N . 25109 1 283 . 1 1 26 26 VAL H H 1 9.409 0.020 . 1 . . . A 24 VAL H . 25109 1 284 . 1 1 26 26 VAL HA H 1 3.293 0.020 . 1 . . . A 24 VAL HA . 25109 1 285 . 1 1 26 26 VAL HB H 1 2.097 0.020 . 1 . . . A 24 VAL HB . 25109 1 286 . 1 1 26 26 VAL HG11 H 1 0.856 0.020 . 2 . . . A 24 VAL HG11 . 25109 1 287 . 1 1 26 26 VAL HG12 H 1 0.856 0.020 . 2 . . . A 24 VAL HG12 . 25109 1 288 . 1 1 26 26 VAL HG13 H 1 0.856 0.020 . 2 . . . A 24 VAL HG13 . 25109 1 289 . 1 1 26 26 VAL HG21 H 1 0.690 0.020 . 2 . . . A 24 VAL HG21 . 25109 1 290 . 1 1 26 26 VAL HG22 H 1 0.690 0.020 . 2 . . . A 24 VAL HG22 . 25109 1 291 . 1 1 26 26 VAL HG23 H 1 0.690 0.020 . 2 . . . A 24 VAL HG23 . 25109 1 292 . 1 1 26 26 VAL C C 13 176.867 0.3 . 1 . . . A 24 VAL C . 25109 1 293 . 1 1 26 26 VAL CA C 13 67.163 0.3 . 1 . . . A 24 VAL CA . 25109 1 294 . 1 1 26 26 VAL CB C 13 32.015 0.3 . 1 . . . A 24 VAL CB . 25109 1 295 . 1 1 26 26 VAL CG1 C 13 23.958 0.3 . 1 . . . A 24 VAL CG1 . 25109 1 296 . 1 1 26 26 VAL CG2 C 13 21.266 0.3 . 1 . . . A 24 VAL CG2 . 25109 1 297 . 1 1 26 26 VAL N N 15 127.835 0.3 . 1 . . . A 24 VAL N . 25109 1 298 . 1 1 27 27 VAL H H 1 8.038 0.020 . 1 . . . A 25 VAL H . 25109 1 299 . 1 1 27 27 VAL HA H 1 3.519 0.020 . 1 . . . A 25 VAL HA . 25109 1 300 . 1 1 27 27 VAL HB H 1 2.098 0.020 . 1 . . . A 25 VAL HB . 25109 1 301 . 1 1 27 27 VAL HG11 H 1 1.005 0.020 . 2 . . . A 25 VAL HG11 . 25109 1 302 . 1 1 27 27 VAL HG12 H 1 1.005 0.020 . 2 . . . A 25 VAL HG12 . 25109 1 303 . 1 1 27 27 VAL HG13 H 1 1.005 0.020 . 2 . . . A 25 VAL HG13 . 25109 1 304 . 1 1 27 27 VAL HG21 H 1 0.930 0.020 . 2 . . . A 25 VAL HG21 . 25109 1 305 . 1 1 27 27 VAL HG22 H 1 0.930 0.020 . 2 . . . A 25 VAL HG22 . 25109 1 306 . 1 1 27 27 VAL HG23 H 1 0.930 0.020 . 2 . . . A 25 VAL HG23 . 25109 1 307 . 1 1 27 27 VAL C C 13 178.006 0.3 . 1 . . . A 25 VAL C . 25109 1 308 . 1 1 27 27 VAL CA C 13 66.688 0.3 . 1 . . . A 25 VAL CA . 25109 1 309 . 1 1 27 27 VAL CB C 13 31.532 0.3 . 1 . . . A 25 VAL CB . 25109 1 310 . 1 1 27 27 VAL CG1 C 13 22.244 0.3 . 1 . . . A 25 VAL CG1 . 25109 1 311 . 1 1 27 27 VAL CG2 C 13 21.689 0.3 . 1 . . . A 25 VAL CG2 . 25109 1 312 . 1 1 27 27 VAL N N 15 114.324 0.3 . 1 . . . A 25 VAL N . 25109 1 313 . 1 1 28 28 GLU H H 1 7.220 0.020 . 1 . . . A 26 GLU H . 25109 1 314 . 1 1 28 28 GLU HA H 1 4.091 0.020 . 1 . . . A 26 GLU HA . 25109 1 315 . 1 1 28 28 GLU HB2 H 1 2.257 0.020 . 2 . . . A 26 GLU HB2 . 25109 1 316 . 1 1 28 28 GLU HB3 H 1 2.031 0.020 . 2 . . . A 26 GLU HB3 . 25109 1 317 . 1 1 28 28 GLU HG2 H 1 2.559 0.020 . 1 . . . A 26 GLU HG2 . 25109 1 318 . 1 1 28 28 GLU HG3 H 1 2.559 0.020 . 1 . . . A 26 GLU HG3 . 25109 1 319 . 1 1 28 28 GLU C C 13 177.303 0.3 . 1 . . . A 26 GLU C . 25109 1 320 . 1 1 28 28 GLU CA C 13 57.432 0.3 . 1 . . . A 26 GLU CA . 25109 1 321 . 1 1 28 28 GLU CB C 13 28.965 0.3 . 1 . . . A 26 GLU CB . 25109 1 322 . 1 1 28 28 GLU CG C 13 33.528 0.3 . 1 . . . A 26 GLU CG . 25109 1 323 . 1 1 28 28 GLU N N 15 117.009 0.3 . 1 . . . A 26 GLU N . 25109 1 324 . 1 1 29 29 ILE H H 1 7.647 0.020 . 1 . . . A 27 ILE H . 25109 1 325 . 1 1 29 29 ILE HA H 1 4.361 0.020 . 1 . . . A 27 ILE HA . 25109 1 326 . 1 1 29 29 ILE HB H 1 1.787 0.020 . 1 . . . A 27 ILE HB . 25109 1 327 . 1 1 29 29 ILE HG12 H 1 1.479 0.020 . 1 . . . A 27 ILE HG12 . 25109 1 328 . 1 1 29 29 ILE HG13 H 1 1.479 0.020 . 1 . . . A 27 ILE HG13 . 25109 1 329 . 1 1 29 29 ILE HG21 H 1 0.944 0.020 . 1 . . . A 27 ILE HG21 . 25109 1 330 . 1 1 29 29 ILE HG22 H 1 0.944 0.020 . 1 . . . A 27 ILE HG22 . 25109 1 331 . 1 1 29 29 ILE HG23 H 1 0.944 0.020 . 1 . . . A 27 ILE HG23 . 25109 1 332 . 1 1 29 29 ILE HD11 H 1 0.797 0.020 . 1 . . . A 27 ILE HD11 . 25109 1 333 . 1 1 29 29 ILE HD12 H 1 0.797 0.020 . 1 . . . A 27 ILE HD12 . 25109 1 334 . 1 1 29 29 ILE HD13 H 1 0.797 0.020 . 1 . . . A 27 ILE HD13 . 25109 1 335 . 1 1 29 29 ILE CA C 13 62.732 0.3 . 1 . . . A 27 ILE CA . 25109 1 336 . 1 1 29 29 ILE CB C 13 39.591 0.3 . 1 . . . A 27 ILE CB . 25109 1 337 . 1 1 29 29 ILE CG1 C 13 30.731 0.3 . 1 . . . A 27 ILE CG1 . 25109 1 338 . 1 1 29 29 ILE CG2 C 13 17.065 0.3 . 1 . . . A 27 ILE CG2 . 25109 1 339 . 1 1 29 29 ILE CD1 C 13 14.193 0.3 . 1 . . . A 27 ILE CD1 . 25109 1 340 . 1 1 29 29 ILE N N 15 114.080 0.3 . 1 . . . A 27 ILE N . 25109 1 341 . 1 1 30 30 LEU H H 1 7.434 0.020 . 1 . . . A 28 LEU H . 25109 1 342 . 1 1 30 30 LEU HA H 1 3.937 0.020 . 1 . . . A 28 LEU HA . 25109 1 343 . 1 1 30 30 LEU HB2 H 1 1.804 0.020 . 2 . . . A 28 LEU HB2 . 25109 1 344 . 1 1 30 30 LEU HB3 H 1 1.354 0.020 . 2 . . . A 28 LEU HB3 . 25109 1 345 . 1 1 30 30 LEU HG H 1 2.123 0.020 . 1 . . . A 28 LEU HG . 25109 1 346 . 1 1 30 30 LEU HD11 H 1 0.753 0.020 . 2 . . . A 28 LEU HD11 . 25109 1 347 . 1 1 30 30 LEU HD12 H 1 0.753 0.020 . 2 . . . A 28 LEU HD12 . 25109 1 348 . 1 1 30 30 LEU HD13 H 1 0.753 0.020 . 2 . . . A 28 LEU HD13 . 25109 1 349 . 1 1 30 30 LEU HD21 H 1 0.651 0.020 . 2 . . . A 28 LEU HD21 . 25109 1 350 . 1 1 30 30 LEU HD22 H 1 0.651 0.020 . 2 . . . A 28 LEU HD22 . 25109 1 351 . 1 1 30 30 LEU HD23 H 1 0.651 0.020 . 2 . . . A 28 LEU HD23 . 25109 1 352 . 1 1 30 30 LEU C C 13 175.756 0.3 . 1 . . . A 28 LEU C . 25109 1 353 . 1 1 30 30 LEU CA C 13 59.967 0.3 . 1 . . . A 28 LEU CA . 25109 1 354 . 1 1 30 30 LEU CB C 13 39.513 0.3 . 1 . . . A 28 LEU CB . 25109 1 355 . 1 1 30 30 LEU CG C 13 26.081 0.3 . 1 . . . A 28 LEU CG . 25109 1 356 . 1 1 30 30 LEU CD1 C 13 26.600 0.3 . 1 . . . A 28 LEU CD1 . 25109 1 357 . 1 1 30 30 LEU CD2 C 13 23.948 0.3 . 1 . . . A 28 LEU CD2 . 25109 1 358 . 1 1 30 30 LEU N N 15 121.867 0.3 . 1 . . . A 28 LEU N . 25109 1 359 . 1 1 31 31 PRO HA H 1 4.210 0.020 . 1 . . . A 29 PRO HA . 25109 1 360 . 1 1 31 31 PRO HB2 H 1 2.084 0.020 . 2 . . . A 29 PRO HB2 . 25109 1 361 . 1 1 31 31 PRO HB3 H 1 1.125 0.020 . 2 . . . A 29 PRO HB3 . 25109 1 362 . 1 1 31 31 PRO HG2 H 1 1.750 0.020 . 2 . . . A 29 PRO HG2 . 25109 1 363 . 1 1 31 31 PRO HG3 H 1 1.696 0.020 . 2 . . . A 29 PRO HG3 . 25109 1 364 . 1 1 31 31 PRO HD2 H 1 3.461 0.020 . 2 . . . A 29 PRO HD2 . 25109 1 365 . 1 1 31 31 PRO HD3 H 1 3.411 0.020 . 2 . . . A 29 PRO HD3 . 25109 1 366 . 1 1 31 31 PRO CB C 13 31.310 0.3 . 1 . . . A 29 PRO CB . 25109 1 367 . 1 1 31 31 PRO CG C 13 28.237 0.3 . 1 . . . A 29 PRO CG . 25109 1 368 . 1 1 31 31 PRO CD C 13 51.015 0.3 . 1 . . . A 29 PRO CD . 25109 1 369 . 1 1 32 32 TYR H H 1 7.628 0.020 . 1 . . . A 30 TYR H . 25109 1 370 . 1 1 32 32 TYR HA H 1 4.502 0.020 . 1 . . . A 30 TYR HA . 25109 1 371 . 1 1 32 32 TYR HB2 H 1 3.459 0.020 . 2 . . . A 30 TYR HB2 . 25109 1 372 . 1 1 32 32 TYR HB3 H 1 2.969 0.020 . 2 . . . A 30 TYR HB3 . 25109 1 373 . 1 1 32 32 TYR HD1 H 1 7.173 0.020 . 1 . . . A 30 TYR HD1 . 25109 1 374 . 1 1 32 32 TYR HD2 H 1 7.173 0.020 . 1 . . . A 30 TYR HD2 . 25109 1 375 . 1 1 32 32 TYR HE1 H 1 6.779 0.020 . 1 . . . A 30 TYR HE1 . 25109 1 376 . 1 1 32 32 TYR HE2 H 1 6.779 0.020 . 1 . . . A 30 TYR HE2 . 25109 1 377 . 1 1 32 32 TYR C C 13 174.386 0.3 . 1 . . . A 30 TYR C . 25109 1 378 . 1 1 32 32 TYR CA C 13 57.694 0.3 . 1 . . . A 30 TYR CA . 25109 1 379 . 1 1 32 32 TYR CB C 13 39.099 0.3 . 1 . . . A 30 TYR CB . 25109 1 380 . 1 1 32 32 TYR CD1 C 13 133.116 0.3 . 1 . . . A 30 TYR CD1 . 25109 1 381 . 1 1 32 32 TYR CD2 C 13 133.116 0.3 . 1 . . . A 30 TYR CD2 . 25109 1 382 . 1 1 32 32 TYR CE1 C 13 118.676 0.3 . 1 . . . A 30 TYR CE1 . 25109 1 383 . 1 1 32 32 TYR CE2 C 13 118.676 0.3 . 1 . . . A 30 TYR CE2 . 25109 1 384 . 1 1 32 32 TYR N N 15 113.832 0.3 . 1 . . . A 30 TYR N . 25109 1 385 . 1 1 33 33 LEU H H 1 7.619 0.020 . 1 . . . A 31 LEU H . 25109 1 386 . 1 1 33 33 LEU HA H 1 4.877 0.020 . 1 . . . A 31 LEU HA . 25109 1 387 . 1 1 33 33 LEU HB2 H 1 2.063 0.020 . 2 . . . A 31 LEU HB2 . 25109 1 388 . 1 1 33 33 LEU HB3 H 1 1.198 0.020 . 2 . . . A 31 LEU HB3 . 25109 1 389 . 1 1 33 33 LEU HG H 1 1.753 0.020 . 1 . . . A 31 LEU HG . 25109 1 390 . 1 1 33 33 LEU HD11 H 1 0.940 0.020 . 2 . . . A 31 LEU HD11 . 25109 1 391 . 1 1 33 33 LEU HD12 H 1 0.940 0.020 . 2 . . . A 31 LEU HD12 . 25109 1 392 . 1 1 33 33 LEU HD13 H 1 0.940 0.020 . 2 . . . A 31 LEU HD13 . 25109 1 393 . 1 1 33 33 LEU HD21 H 1 0.901 0.020 . 2 . . . A 31 LEU HD21 . 25109 1 394 . 1 1 33 33 LEU HD22 H 1 0.901 0.020 . 2 . . . A 31 LEU HD22 . 25109 1 395 . 1 1 33 33 LEU HD23 H 1 0.901 0.020 . 2 . . . A 31 LEU HD23 . 25109 1 396 . 1 1 33 33 LEU C C 13 173.849 0.3 . 1 . . . A 31 LEU C . 25109 1 397 . 1 1 33 33 LEU CA C 13 51.692 0.3 . 1 . . . A 31 LEU CA . 25109 1 398 . 1 1 33 33 LEU CB C 13 42.802 0.3 . 1 . . . A 31 LEU CB . 25109 1 399 . 1 1 33 33 LEU CG C 13 25.203 0.3 . 1 . . . A 31 LEU CG . 25109 1 400 . 1 1 33 33 LEU CD1 C 13 24.762 0.3 . 1 . . . A 31 LEU CD1 . 25109 1 401 . 1 1 33 33 LEU CD2 C 13 28.548 0.3 . 1 . . . A 31 LEU CD2 . 25109 1 402 . 1 1 33 33 LEU N N 15 118.331 0.3 . 1 . . . A 31 LEU N . 25109 1 403 . 1 1 34 34 PRO HA H 1 4.355 0.020 . 1 . . . A 32 PRO HA . 25109 1 404 . 1 1 34 34 PRO HB2 H 1 2.116 0.020 . 2 . . . A 32 PRO HB2 . 25109 1 405 . 1 1 34 34 PRO HB3 H 1 1.826 0.020 . 2 . . . A 32 PRO HB3 . 25109 1 406 . 1 1 34 34 PRO HG2 H 1 1.929 0.020 . 2 . . . A 32 PRO HG2 . 25109 1 407 . 1 1 34 34 PRO HG3 H 1 1.426 0.020 . 2 . . . A 32 PRO HG3 . 25109 1 408 . 1 1 34 34 PRO HD2 H 1 3.417 0.020 . 2 . . . A 32 PRO HD2 . 25109 1 409 . 1 1 34 34 PRO HD3 H 1 3.397 0.020 . 2 . . . A 32 PRO HD3 . 25109 1 410 . 1 1 34 34 PRO CB C 13 31.410 0.3 . 1 . . . A 32 PRO CB . 25109 1 411 . 1 1 34 34 PRO CG C 13 27.322 0.3 . 1 . . . A 32 PRO CG . 25109 1 412 . 1 1 34 34 PRO CD C 13 51.208 0.3 . 1 . . . A 32 PRO CD . 25109 1 413 . 1 1 35 35 CYS H H 1 6.414 0.020 . 1 . . . A 33 CYS H . 25109 1 414 . 1 1 35 35 CYS HA H 1 4.341 0.020 . 1 . . . A 33 CYS HA . 25109 1 415 . 1 1 35 35 CYS HB2 H 1 3.116 0.020 . 2 . . . A 33 CYS HB2 . 25109 1 416 . 1 1 35 35 CYS HB3 H 1 2.111 0.020 . 2 . . . A 33 CYS HB3 . 25109 1 417 . 1 1 35 35 CYS C C 13 174.139 0.3 . 1 . . . A 33 CYS C . 25109 1 418 . 1 1 35 35 CYS CA C 13 56.212 0.3 . 1 . . . A 33 CYS CA . 25109 1 419 . 1 1 35 35 CYS CB C 13 28.922 0.3 . 1 . . . A 33 CYS CB . 25109 1 420 . 1 1 35 35 CYS N N 15 110.978 0.3 . 1 . . . A 33 CYS N . 25109 1 421 . 1 1 36 36 LEU H H 1 7.550 0.020 . 1 . . . A 34 LEU H . 25109 1 422 . 1 1 36 36 LEU HA H 1 4.606 0.020 . 1 . . . A 34 LEU HA . 25109 1 423 . 1 1 36 36 LEU HB2 H 1 1.980 0.020 . 2 . . . A 34 LEU HB2 . 25109 1 424 . 1 1 36 36 LEU HB3 H 1 1.241 0.020 . 2 . . . A 34 LEU HB3 . 25109 1 425 . 1 1 36 36 LEU HG H 1 1.560 0.020 . 1 . . . A 34 LEU HG . 25109 1 426 . 1 1 36 36 LEU HD11 H 1 0.718 0.020 . 2 . . . A 34 LEU HD11 . 25109 1 427 . 1 1 36 36 LEU HD12 H 1 0.718 0.020 . 2 . . . A 34 LEU HD12 . 25109 1 428 . 1 1 36 36 LEU HD13 H 1 0.718 0.020 . 2 . . . A 34 LEU HD13 . 25109 1 429 . 1 1 36 36 LEU HD21 H 1 0.629 0.020 . 2 . . . A 34 LEU HD21 . 25109 1 430 . 1 1 36 36 LEU HD22 H 1 0.629 0.020 . 2 . . . A 34 LEU HD22 . 25109 1 431 . 1 1 36 36 LEU HD23 H 1 0.629 0.020 . 2 . . . A 34 LEU HD23 . 25109 1 432 . 1 1 36 36 LEU C C 13 176.646 0.3 . 1 . . . A 34 LEU C . 25109 1 433 . 1 1 36 36 LEU CA C 13 53.891 0.3 . 1 . . . A 34 LEU CA . 25109 1 434 . 1 1 36 36 LEU CB C 13 42.691 0.3 . 1 . . . A 34 LEU CB . 25109 1 435 . 1 1 36 36 LEU CG C 13 27.061 0.3 . 1 . . . A 34 LEU CG . 25109 1 436 . 1 1 36 36 LEU CD1 C 13 27.555 0.3 . 1 . . . A 34 LEU CD1 . 25109 1 437 . 1 1 36 36 LEU CD2 C 13 23.343 0.3 . 1 . . . A 34 LEU CD2 . 25109 1 438 . 1 1 36 36 LEU N N 15 123.111 0.3 . 1 . . . A 34 LEU N . 25109 1 439 . 1 1 37 37 THR H H 1 8.586 0.020 . 1 . . . A 35 THR H . 25109 1 440 . 1 1 37 37 THR HA H 1 4.205 0.020 . 1 . . . A 35 THR HA . 25109 1 441 . 1 1 37 37 THR HB H 1 4.632 0.020 . 1 . . . A 35 THR HB . 25109 1 442 . 1 1 37 37 THR HG21 H 1 1.261 0.020 . 1 . . . A 35 THR HG21 . 25109 1 443 . 1 1 37 37 THR HG22 H 1 1.261 0.020 . 1 . . . A 35 THR HG22 . 25109 1 444 . 1 1 37 37 THR HG23 H 1 1.261 0.020 . 1 . . . A 35 THR HG23 . 25109 1 445 . 1 1 37 37 THR C C 13 175.324 0.3 . 1 . . . A 35 THR C . 25109 1 446 . 1 1 37 37 THR CA C 13 61.200 0.3 . 1 . . . A 35 THR CA . 25109 1 447 . 1 1 37 37 THR CB C 13 71.318 0.3 . 1 . . . A 35 THR CB . 25109 1 448 . 1 1 37 37 THR CG2 C 13 21.894 0.3 . 1 . . . A 35 THR CG2 . 25109 1 449 . 1 1 37 37 THR N N 15 113.831 0.3 . 1 . . . A 35 THR N . 25109 1 450 . 1 1 38 38 ALA H H 1 8.836 0.020 . 1 . . . A 36 ALA H . 25109 1 451 . 1 1 38 38 ALA HA H 1 3.924 0.020 . 1 . . . A 36 ALA HA . 25109 1 452 . 1 1 38 38 ALA HB1 H 1 1.357 0.020 . 1 . . . A 36 ALA HB1 . 25109 1 453 . 1 1 38 38 ALA HB2 H 1 1.357 0.020 . 1 . . . A 36 ALA HB2 . 25109 1 454 . 1 1 38 38 ALA HB3 H 1 1.357 0.020 . 1 . . . A 36 ALA HB3 . 25109 1 455 . 1 1 38 38 ALA C C 13 180.397 0.3 . 1 . . . A 36 ALA C . 25109 1 456 . 1 1 38 38 ALA CA C 13 55.920 0.3 . 1 . . . A 36 ALA CA . 25109 1 457 . 1 1 38 38 ALA CB C 13 17.803 0.3 . 1 . . . A 36 ALA CB . 25109 1 458 . 1 1 38 38 ALA N N 15 124.128 0.3 . 1 . . . A 36 ALA N . 25109 1 459 . 1 1 39 39 ARG H H 1 8.060 0.020 . 1 . . . A 37 ARG H . 25109 1 460 . 1 1 39 39 ARG HA H 1 3.986 0.020 . 1 . . . A 37 ARG HA . 25109 1 461 . 1 1 39 39 ARG HB2 H 1 1.753 0.020 . 2 . . . A 37 ARG HB2 . 25109 1 462 . 1 1 39 39 ARG HB3 H 1 1.655 0.020 . 2 . . . A 37 ARG HB3 . 25109 1 463 . 1 1 39 39 ARG HG2 H 1 1.643 0.020 . 2 . . . A 37 ARG HG2 . 25109 1 464 . 1 1 39 39 ARG HG3 H 1 1.539 0.020 . 2 . . . A 37 ARG HG3 . 25109 1 465 . 1 1 39 39 ARG HD2 H 1 3.123 0.020 . 1 . . . A 37 ARG HD2 . 25109 1 466 . 1 1 39 39 ARG HD3 H 1 3.123 0.020 . 1 . . . A 37 ARG HD3 . 25109 1 467 . 1 1 39 39 ARG HE H 1 7.104 0.020 . 1 . . . A 37 ARG HE . 25109 1 468 . 1 1 39 39 ARG C C 13 179.272 0.3 . 1 . . . A 37 ARG C . 25109 1 469 . 1 1 39 39 ARG CA C 13 59.232 0.3 . 1 . . . A 37 ARG CA . 25109 1 470 . 1 1 39 39 ARG CB C 13 29.905 0.3 . 1 . . . A 37 ARG CB . 25109 1 471 . 1 1 39 39 ARG CG C 13 27.342 0.3 . 1 . . . A 37 ARG CG . 25109 1 472 . 1 1 39 39 ARG CD C 13 43.504 0.3 . 1 . . . A 37 ARG CD . 25109 1 473 . 1 1 39 39 ARG N N 15 116.793 0.3 . 1 . . . A 37 ARG N . 25109 1 474 . 1 1 39 39 ARG NE N 15 84.501 0.3 . 1 . . . A 37 ARG NE . 25109 1 475 . 1 1 40 40 ASP H H 1 7.782 0.020 . 1 . . . A 38 ASP H . 25109 1 476 . 1 1 40 40 ASP HA H 1 4.248 0.020 . 1 . . . A 38 ASP HA . 25109 1 477 . 1 1 40 40 ASP HB2 H 1 3.021 0.020 . 2 . . . A 38 ASP HB2 . 25109 1 478 . 1 1 40 40 ASP HB3 H 1 2.291 0.020 . 2 . . . A 38 ASP HB3 . 25109 1 479 . 1 1 40 40 ASP C C 13 178.885 0.3 . 1 . . . A 38 ASP C . 25109 1 480 . 1 1 40 40 ASP CA C 13 57.187 0.3 . 1 . . . A 38 ASP CA . 25109 1 481 . 1 1 40 40 ASP CB C 13 40.933 0.3 . 1 . . . A 38 ASP CB . 25109 1 482 . 1 1 40 40 ASP N N 15 120.030 0.3 . 1 . . . A 38 ASP N . 25109 1 483 . 1 1 41 41 GLN H H 1 8.476 0.020 . 1 . . . A 39 GLN H . 25109 1 484 . 1 1 41 41 GLN HA H 1 3.665 0.020 . 1 . . . A 39 GLN HA . 25109 1 485 . 1 1 41 41 GLN HB2 H 1 2.061 0.020 . 1 . . . A 39 GLN HB2 . 25109 1 486 . 1 1 41 41 GLN HB3 H 1 2.061 0.020 . 1 . . . A 39 GLN HB3 . 25109 1 487 . 1 1 41 41 GLN HG2 H 1 2.471 0.020 . 2 . . . A 39 GLN HG2 . 25109 1 488 . 1 1 41 41 GLN HG3 H 1 1.838 0.020 . 2 . . . A 39 GLN HG3 . 25109 1 489 . 1 1 41 41 GLN HE21 H 1 6.661 0.020 . 1 . . . A 39 GLN HE21 . 25109 1 490 . 1 1 41 41 GLN HE22 H 1 6.600 0.020 . 1 . . . A 39 GLN HE22 . 25109 1 491 . 1 1 41 41 GLN C C 13 178.041 0.3 . 1 . . . A 39 GLN C . 25109 1 492 . 1 1 41 41 GLN CA C 13 60.601 0.3 . 1 . . . A 39 GLN CA . 25109 1 493 . 1 1 41 41 GLN CB C 13 27.797 0.3 . 1 . . . A 39 GLN CB . 25109 1 494 . 1 1 41 41 GLN CG C 13 34.695 0.3 . 1 . . . A 39 GLN CG . 25109 1 495 . 1 1 41 41 GLN N N 15 118.223 0.3 . 1 . . . A 39 GLN N . 25109 1 496 . 1 1 41 41 GLN NE2 N 15 110.765 0.3 . 1 . . . A 39 GLN NE2 . 25109 1 497 . 1 1 42 42 ASP H H 1 8.386 0.020 . 1 . . . A 40 ASP H . 25109 1 498 . 1 1 42 42 ASP HA H 1 4.253 0.020 . 1 . . . A 40 ASP HA . 25109 1 499 . 1 1 42 42 ASP HB2 H 1 2.904 0.020 . 2 . . . A 40 ASP HB2 . 25109 1 500 . 1 1 42 42 ASP HB3 H 1 2.829 0.020 . 2 . . . A 40 ASP HB3 . 25109 1 501 . 1 1 42 42 ASP C C 13 178.639 0.3 . 1 . . . A 40 ASP C . 25109 1 502 . 1 1 42 42 ASP CA C 13 56.400 0.3 . 1 . . . A 40 ASP CA . 25109 1 503 . 1 1 42 42 ASP CB C 13 38.028 0.3 . 1 . . . A 40 ASP CB . 25109 1 504 . 1 1 42 42 ASP N N 15 117.908 0.3 . 1 . . . A 40 ASP N . 25109 1 505 . 1 1 43 43 ARG H H 1 8.130 0.020 . 1 . . . A 41 ARG H . 25109 1 506 . 1 1 43 43 ARG HA H 1 4.042 0.020 . 1 . . . A 41 ARG HA . 25109 1 507 . 1 1 43 43 ARG HB2 H 1 1.877 0.020 . 1 . . . A 41 ARG HB2 . 25109 1 508 . 1 1 43 43 ARG HB3 H 1 1.877 0.020 . 1 . . . A 41 ARG HB3 . 25109 1 509 . 1 1 43 43 ARG HG2 H 1 1.655 0.020 . 2 . . . A 41 ARG HG2 . 25109 1 510 . 1 1 43 43 ARG HG3 H 1 1.481 0.020 . 2 . . . A 41 ARG HG3 . 25109 1 511 . 1 1 43 43 ARG HD2 H 1 3.123 0.020 . 1 . . . A 41 ARG HD2 . 25109 1 512 . 1 1 43 43 ARG HD3 H 1 3.123 0.020 . 1 . . . A 41 ARG HD3 . 25109 1 513 . 1 1 43 43 ARG HE H 1 7.212 0.020 . 1 . . . A 41 ARG HE . 25109 1 514 . 1 1 43 43 ARG C C 13 179.795 0.3 . 1 . . . A 41 ARG C . 25109 1 515 . 1 1 43 43 ARG CA C 13 59.445 0.3 . 1 . . . A 41 ARG CA . 25109 1 516 . 1 1 43 43 ARG CB C 13 30.258 0.3 . 1 . . . A 41 ARG CB . 25109 1 517 . 1 1 43 43 ARG CG C 13 27.565 0.3 . 1 . . . A 41 ARG CG . 25109 1 518 . 1 1 43 43 ARG CD C 13 43.462 0.3 . 1 . . . A 41 ARG CD . 25109 1 519 . 1 1 43 43 ARG N N 15 120.990 0.3 . 1 . . . A 41 ARG N . 25109 1 520 . 1 1 43 43 ARG NE N 15 84.815 0.3 . 1 . . . A 41 ARG NE . 25109 1 521 . 1 1 44 44 LEU H H 1 8.179 0.020 . 1 . . . A 42 LEU H . 25109 1 522 . 1 1 44 44 LEU HA H 1 3.935 0.020 . 1 . . . A 42 LEU HA . 25109 1 523 . 1 1 44 44 LEU HB2 H 1 1.873 0.020 . 2 . . . A 42 LEU HB2 . 25109 1 524 . 1 1 44 44 LEU HB3 H 1 0.956 0.020 . 2 . . . A 42 LEU HB3 . 25109 1 525 . 1 1 44 44 LEU HG H 1 1.790 0.020 . 1 . . . A 42 LEU HG . 25109 1 526 . 1 1 44 44 LEU HD11 H 1 0.680 0.020 . 2 . . . A 42 LEU HD11 . 25109 1 527 . 1 1 44 44 LEU HD12 H 1 0.680 0.020 . 2 . . . A 42 LEU HD12 . 25109 1 528 . 1 1 44 44 LEU HD13 H 1 0.680 0.020 . 2 . . . A 42 LEU HD13 . 25109 1 529 . 1 1 44 44 LEU HD21 H 1 0.679 0.020 . 2 . . . A 42 LEU HD21 . 25109 1 530 . 1 1 44 44 LEU HD22 H 1 0.679 0.020 . 2 . . . A 42 LEU HD22 . 25109 1 531 . 1 1 44 44 LEU HD23 H 1 0.679 0.020 . 2 . . . A 42 LEU HD23 . 25109 1 532 . 1 1 44 44 LEU C C 13 178.850 0.3 . 1 . . . A 42 LEU C . 25109 1 533 . 1 1 44 44 LEU CA C 13 58.267 0.3 . 1 . . . A 42 LEU CA . 25109 1 534 . 1 1 44 44 LEU CB C 13 42.033 0.3 . 1 . . . A 42 LEU CB . 25109 1 535 . 1 1 44 44 LEU CG C 13 27.550 0.3 . 1 . . . A 42 LEU CG . 25109 1 536 . 1 1 44 44 LEU CD1 C 13 27.411 0.3 . 1 . . . A 42 LEU CD1 . 25109 1 537 . 1 1 44 44 LEU CD2 C 13 23.593 0.3 . 1 . . . A 42 LEU CD2 . 25109 1 538 . 1 1 44 44 LEU N N 15 121.219 0.3 . 1 . . . A 42 LEU N . 25109 1 539 . 1 1 45 45 ARG H H 1 8.296 0.020 . 1 . . . A 43 ARG H . 25109 1 540 . 1 1 45 45 ARG HA H 1 3.724 0.020 . 1 . . . A 43 ARG HA . 25109 1 541 . 1 1 45 45 ARG HB2 H 1 1.789 0.020 . 1 . . . A 43 ARG HB2 . 25109 1 542 . 1 1 45 45 ARG HB3 H 1 1.789 0.020 . 1 . . . A 43 ARG HB3 . 25109 1 543 . 1 1 45 45 ARG HG2 H 1 1.731 0.020 . 2 . . . A 43 ARG HG2 . 25109 1 544 . 1 1 45 45 ARG HG3 H 1 1.386 0.020 . 2 . . . A 43 ARG HG3 . 25109 1 545 . 1 1 45 45 ARG HD2 H 1 3.219 0.020 . 2 . . . A 43 ARG HD2 . 25109 1 546 . 1 1 45 45 ARG HD3 H 1 3.102 0.020 . 2 . . . A 43 ARG HD3 . 25109 1 547 . 1 1 45 45 ARG HE H 1 7.340 0.020 . 1 . . . A 43 ARG HE . 25109 1 548 . 1 1 45 45 ARG C C 13 179.099 0.3 . 1 . . . A 43 ARG C . 25109 1 549 . 1 1 45 45 ARG CA C 13 60.814 0.3 . 1 . . . A 43 ARG CA . 25109 1 550 . 1 1 45 45 ARG CB C 13 30.179 0.3 . 1 . . . A 43 ARG CB . 25109 1 551 . 1 1 45 45 ARG CG C 13 29.638 0.3 . 1 . . . A 43 ARG CG . 25109 1 552 . 1 1 45 45 ARG CD C 13 43.316 0.3 . 1 . . . A 43 ARG CD . 25109 1 553 . 1 1 45 45 ARG N N 15 119.310 0.3 . 1 . . . A 43 ARG N . 25109 1 554 . 1 1 45 45 ARG NE N 15 84.166 0.3 . 1 . . . A 43 ARG NE . 25109 1 555 . 1 1 46 46 ALA H H 1 7.774 0.020 . 1 . . . A 44 ALA H . 25109 1 556 . 1 1 46 46 ALA HA H 1 4.103 0.020 . 1 . . . A 44 ALA HA . 25109 1 557 . 1 1 46 46 ALA HB1 H 1 1.436 0.020 . 1 . . . A 44 ALA HB1 . 25109 1 558 . 1 1 46 46 ALA HB2 H 1 1.436 0.020 . 1 . . . A 44 ALA HB2 . 25109 1 559 . 1 1 46 46 ALA HB3 H 1 1.436 0.020 . 1 . . . A 44 ALA HB3 . 25109 1 560 . 1 1 46 46 ALA C C 13 180.924 0.3 . 1 . . . A 44 ALA C . 25109 1 561 . 1 1 46 46 ALA CA C 13 55.225 0.3 . 1 . . . A 44 ALA CA . 25109 1 562 . 1 1 46 46 ALA CB C 13 18.096 0.3 . 1 . . . A 44 ALA CB . 25109 1 563 . 1 1 46 46 ALA N N 15 121.305 0.3 . 1 . . . A 44 ALA N . 25109 1 564 . 1 1 47 47 THR H H 1 8.167 0.020 . 1 . . . A 45 THR H . 25109 1 565 . 1 1 47 47 THR HA H 1 3.879 0.020 . 1 . . . A 45 THR HA . 25109 1 566 . 1 1 47 47 THR HB H 1 4.200 0.020 . 1 . . . A 45 THR HB . 25109 1 567 . 1 1 47 47 THR HG21 H 1 1.099 0.020 . 1 . . . A 45 THR HG21 . 25109 1 568 . 1 1 47 47 THR HG22 H 1 1.099 0.020 . 1 . . . A 45 THR HG22 . 25109 1 569 . 1 1 47 47 THR HG23 H 1 1.099 0.020 . 1 . . . A 45 THR HG23 . 25109 1 570 . 1 1 47 47 THR CA C 13 66.327 0.3 . 1 . . . A 45 THR CA . 25109 1 571 . 1 1 47 47 THR CB C 13 68.809 0.3 . 1 . . . A 45 THR CB . 25109 1 572 . 1 1 47 47 THR CG2 C 13 21.499 0.3 . 1 . . . A 45 THR CG2 . 25109 1 573 . 1 1 47 47 THR N N 15 115.017 0.3 . 1 . . . A 45 THR N . 25109 1 574 . 1 1 48 48 CYS H H 1 8.084 0.020 . 1 . . . A 46 CYS H . 25109 1 575 . 1 1 48 48 CYS HA H 1 4.019 0.020 . 1 . . . A 46 CYS HA . 25109 1 576 . 1 1 48 48 CYS HB2 H 1 3.068 0.020 . 2 . . . A 46 CYS HB2 . 25109 1 577 . 1 1 48 48 CYS HB3 H 1 2.834 0.020 . 2 . . . A 46 CYS HB3 . 25109 1 578 . 1 1 48 48 CYS C C 13 178.077 0.3 . 1 . . . A 46 CYS C . 25109 1 579 . 1 1 48 48 CYS CA C 13 62.945 0.3 . 1 . . . A 46 CYS CA . 25109 1 580 . 1 1 48 48 CYS CB C 13 26.139 0.3 . 1 . . . A 46 CYS CB . 25109 1 581 . 1 1 48 48 CYS N N 15 123.609 0.3 . 1 . . . A 46 CYS N . 25109 1 582 . 1 1 49 49 THR H H 1 7.735 0.020 . 1 . . . A 47 THR H . 25109 1 583 . 1 1 49 49 THR HA H 1 3.915 0.020 . 1 . . . A 47 THR HA . 25109 1 584 . 1 1 49 49 THR HB H 1 4.173 0.020 . 1 . . . A 47 THR HB . 25109 1 585 . 1 1 49 49 THR HG21 H 1 1.192 0.020 . 1 . . . A 47 THR HG21 . 25109 1 586 . 1 1 49 49 THR HG22 H 1 1.192 0.020 . 1 . . . A 47 THR HG22 . 25109 1 587 . 1 1 49 49 THR HG23 H 1 1.192 0.020 . 1 . . . A 47 THR HG23 . 25109 1 588 . 1 1 49 49 THR CA C 13 66.063 0.3 . 1 . . . A 47 THR CA . 25109 1 589 . 1 1 49 49 THR CB C 13 69.245 0.3 . 1 . . . A 47 THR CB . 25109 1 590 . 1 1 49 49 THR CG2 C 13 22.097 0.3 . 1 . . . A 47 THR CG2 . 25109 1 591 . 1 1 49 49 THR N N 15 115.520 0.3 . 1 . . . A 47 THR N . 25109 1 592 . 1 1 50 50 LEU H H 1 7.464 0.020 . 1 . . . A 48 LEU H . 25109 1 593 . 1 1 50 50 LEU HA H 1 4.226 0.020 . 1 . . . A 48 LEU HA . 25109 1 594 . 1 1 50 50 LEU HB2 H 1 1.679 0.020 . 2 . . . A 48 LEU HB2 . 25109 1 595 . 1 1 50 50 LEU HB3 H 1 1.589 0.020 . 2 . . . A 48 LEU HB3 . 25109 1 596 . 1 1 50 50 LEU HG H 1 1.590 0.020 . 1 . . . A 48 LEU HG . 25109 1 597 . 1 1 50 50 LEU HD11 H 1 0.803 0.020 . 2 . . . A 48 LEU HD11 . 25109 1 598 . 1 1 50 50 LEU HD12 H 1 0.803 0.020 . 2 . . . A 48 LEU HD12 . 25109 1 599 . 1 1 50 50 LEU HD13 H 1 0.803 0.020 . 2 . . . A 48 LEU HD13 . 25109 1 600 . 1 1 50 50 LEU HD21 H 1 0.821 0.020 . 2 . . . A 48 LEU HD21 . 25109 1 601 . 1 1 50 50 LEU HD22 H 1 0.821 0.020 . 2 . . . A 48 LEU HD22 . 25109 1 602 . 1 1 50 50 LEU HD23 H 1 0.821 0.020 . 2 . . . A 48 LEU HD23 . 25109 1 603 . 1 1 50 50 LEU CA C 13 57.563 0.3 . 1 . . . A 48 LEU CA . 25109 1 604 . 1 1 50 50 LEU CB C 13 43.625 0.3 . 1 . . . A 48 LEU CB . 25109 1 605 . 1 1 50 50 LEU CG C 13 27.072 0.3 . 1 . . . A 48 LEU CG . 25109 1 606 . 1 1 50 50 LEU CD1 C 13 23.828 0.3 . 1 . . . A 48 LEU CD1 . 25109 1 607 . 1 1 50 50 LEU CD2 C 13 24.539 0.3 . 1 . . . A 48 LEU CD2 . 25109 1 608 . 1 1 50 50 LEU N N 15 120.099 0.3 . 1 . . . A 48 LEU N . 25109 1 609 . 1 1 51 51 SER H H 1 8.781 0.020 . 1 . . . A 49 SER H . 25109 1 610 . 1 1 51 51 SER HA H 1 4.661 0.020 . 1 . . . A 49 SER HA . 25109 1 611 . 1 1 51 51 SER HB2 H 1 3.980 0.020 . 2 . . . A 49 SER HB2 . 25109 1 612 . 1 1 51 51 SER HB3 H 1 3.731 0.020 . 2 . . . A 49 SER HB3 . 25109 1 613 . 1 1 51 51 SER C C 13 175.581 0.3 . 1 . . . A 49 SER C . 25109 1 614 . 1 1 51 51 SER CA C 13 59.590 0.3 . 1 . . . A 49 SER CA . 25109 1 615 . 1 1 51 51 SER CB C 13 65.335 0.3 . 1 . . . A 49 SER CB . 25109 1 616 . 1 1 51 51 SER N N 15 111.979 0.3 . 1 . . . A 49 SER N . 25109 1 617 . 1 1 52 52 GLY H H 1 7.955 0.020 . 1 . . . A 50 GLY H . 25109 1 618 . 1 1 52 52 GLY HA2 H 1 4.505 0.020 . 2 . . . A 50 GLY HA2 . 25109 1 619 . 1 1 52 52 GLY HA3 H 1 4.041 0.020 . 2 . . . A 50 GLY HA3 . 25109 1 620 . 1 1 52 52 GLY C C 13 175.123 0.3 . 1 . . . A 50 GLY C . 25109 1 621 . 1 1 52 52 GLY CA C 13 44.902 0.3 . 1 . . . A 50 GLY CA . 25109 1 622 . 1 1 52 52 GLY N N 15 110.194 0.3 . 1 . . . A 50 GLY N . 25109 1 623 . 1 1 53 53 ASN H H 1 8.898 0.020 . 1 . . . A 51 ASN H . 25109 1 624 . 1 1 53 53 ASN HA H 1 4.250 0.020 . 1 . . . A 51 ASN HA . 25109 1 625 . 1 1 53 53 ASN HB2 H 1 2.804 0.020 . 2 . . . A 51 ASN HB2 . 25109 1 626 . 1 1 53 53 ASN HB3 H 1 2.640 0.020 . 2 . . . A 51 ASN HB3 . 25109 1 627 . 1 1 53 53 ASN HD21 H 1 8.060 0.020 . 1 . . . A 51 ASN HD21 . 25109 1 628 . 1 1 53 53 ASN HD22 H 1 7.876 0.020 . 1 . . . A 51 ASN HD22 . 25109 1 629 . 1 1 53 53 ASN C C 13 176.403 0.3 . 1 . . . A 51 ASN C . 25109 1 630 . 1 1 53 53 ASN CA C 13 59.303 0.3 . 1 . . . A 51 ASN CA . 25109 1 631 . 1 1 53 53 ASN CB C 13 41.599 0.3 . 1 . . . A 51 ASN CB . 25109 1 632 . 1 1 53 53 ASN N N 15 121.050 0.3 . 1 . . . A 51 ASN N . 25109 1 633 . 1 1 53 53 ASN ND2 N 15 117.046 0.3 . 1 . . . A 51 ASN ND2 . 25109 1 634 . 1 1 54 54 ARG H H 1 8.696 0.020 . 1 . . . A 52 ARG H . 25109 1 635 . 1 1 54 54 ARG HA H 1 4.038 0.020 . 1 . . . A 52 ARG HA . 25109 1 636 . 1 1 54 54 ARG HB2 H 1 2.069 0.020 . 2 . . . A 52 ARG HB2 . 25109 1 637 . 1 1 54 54 ARG HB3 H 1 1.843 0.020 . 2 . . . A 52 ARG HB3 . 25109 1 638 . 1 1 54 54 ARG HG2 H 1 1.872 0.020 . 2 . . . A 52 ARG HG2 . 25109 1 639 . 1 1 54 54 ARG HG3 H 1 1.808 0.020 . 2 . . . A 52 ARG HG3 . 25109 1 640 . 1 1 54 54 ARG HD2 H 1 3.317 0.020 . 1 . . . A 52 ARG HD2 . 25109 1 641 . 1 1 54 54 ARG HD3 H 1 3.317 0.020 . 1 . . . A 52 ARG HD3 . 25109 1 642 . 1 1 54 54 ARG HE H 1 7.318 0.020 . 1 . . . A 52 ARG HE . 25109 1 643 . 1 1 54 54 ARG C C 13 178.850 0.3 . 1 . . . A 52 ARG C . 25109 1 644 . 1 1 54 54 ARG CA C 13 61.064 0.3 . 1 . . . A 52 ARG CA . 25109 1 645 . 1 1 54 54 ARG CB C 13 30.023 0.3 . 1 . . . A 52 ARG CB . 25109 1 646 . 1 1 54 54 ARG CG C 13 28.291 0.3 . 1 . . . A 52 ARG CG . 25109 1 647 . 1 1 54 54 ARG CD C 13 43.766 0.3 . 1 . . . A 52 ARG CD . 25109 1 648 . 1 1 54 54 ARG N N 15 119.825 0.3 . 1 . . . A 52 ARG N . 25109 1 649 . 1 1 54 54 ARG NE N 15 84.966 0.3 . 1 . . . A 52 ARG NE . 25109 1 650 . 1 1 55 55 ASP H H 1 9.036 0.020 . 1 . . . A 53 ASP H . 25109 1 651 . 1 1 55 55 ASP HA H 1 4.546 0.020 . 1 . . . A 53 ASP HA . 25109 1 652 . 1 1 55 55 ASP HB2 H 1 2.743 0.020 . 2 . . . A 53 ASP HB2 . 25109 1 653 . 1 1 55 55 ASP HB3 H 1 2.663 0.020 . 2 . . . A 53 ASP HB3 . 25109 1 654 . 1 1 55 55 ASP C C 13 178.996 0.3 . 1 . . . A 53 ASP C . 25109 1 655 . 1 1 55 55 ASP CA C 13 56.079 0.3 . 1 . . . A 53 ASP CA . 25109 1 656 . 1 1 55 55 ASP CB C 13 38.371 0.3 . 1 . . . A 53 ASP CB . 25109 1 657 . 1 1 55 55 ASP N N 15 116.032 0.3 . 1 . . . A 53 ASP N . 25109 1 658 . 1 1 56 56 THR H H 1 7.782 0.020 . 1 . . . A 54 THR H . 25109 1 659 . 1 1 56 56 THR HA H 1 3.746 0.020 . 1 . . . A 54 THR HA . 25109 1 660 . 1 1 56 56 THR HB H 1 4.156 0.020 . 1 . . . A 54 THR HB . 25109 1 661 . 1 1 56 56 THR HG21 H 1 1.215 0.020 . 1 . . . A 54 THR HG21 . 25109 1 662 . 1 1 56 56 THR HG22 H 1 1.215 0.020 . 1 . . . A 54 THR HG22 . 25109 1 663 . 1 1 56 56 THR HG23 H 1 1.215 0.020 . 1 . . . A 54 THR HG23 . 25109 1 664 . 1 1 56 56 THR CA C 13 67.885 0.3 . 1 . . . A 54 THR CA . 25109 1 665 . 1 1 56 56 THR CB C 13 66.953 0.3 . 1 . . . A 54 THR CB . 25109 1 666 . 1 1 56 56 THR CG2 C 13 23.891 0.3 . 1 . . . A 54 THR CG2 . 25109 1 667 . 1 1 56 56 THR N N 15 115.848 0.3 . 1 . . . A 54 THR N . 25109 1 668 . 1 1 57 57 LEU H H 1 8.740 0.020 . 1 . . . A 55 LEU H . 25109 1 669 . 1 1 57 57 LEU HA H 1 3.554 0.020 . 1 . . . A 55 LEU HA . 25109 1 670 . 1 1 57 57 LEU HB2 H 1 1.952 0.020 . 2 . . . A 55 LEU HB2 . 25109 1 671 . 1 1 57 57 LEU HB3 H 1 1.493 0.020 . 2 . . . A 55 LEU HB3 . 25109 1 672 . 1 1 57 57 LEU HG H 1 1.476 0.020 . 1 . . . A 55 LEU HG . 25109 1 673 . 1 1 57 57 LEU HD11 H 1 0.679 0.020 . 2 . . . A 55 LEU HD11 . 25109 1 674 . 1 1 57 57 LEU HD12 H 1 0.679 0.020 . 2 . . . A 55 LEU HD12 . 25109 1 675 . 1 1 57 57 LEU HD13 H 1 0.679 0.020 . 2 . . . A 55 LEU HD13 . 25109 1 676 . 1 1 57 57 LEU HD21 H 1 0.742 0.020 . 2 . . . A 55 LEU HD21 . 25109 1 677 . 1 1 57 57 LEU HD22 H 1 0.742 0.020 . 2 . . . A 55 LEU HD22 . 25109 1 678 . 1 1 57 57 LEU HD23 H 1 0.742 0.020 . 2 . . . A 55 LEU HD23 . 25109 1 679 . 1 1 57 57 LEU C C 13 177.901 0.3 . 1 . . . A 55 LEU C . 25109 1 680 . 1 1 57 57 LEU CA C 13 58.453 0.3 . 1 . . . A 55 LEU CA . 25109 1 681 . 1 1 57 57 LEU CB C 13 41.863 0.3 . 1 . . . A 55 LEU CB . 25109 1 682 . 1 1 57 57 LEU CG C 13 26.634 0.3 . 1 . . . A 55 LEU CG . 25109 1 683 . 1 1 57 57 LEU CD1 C 13 24.996 0.3 . 1 . . . A 55 LEU CD1 . 25109 1 684 . 1 1 57 57 LEU CD2 C 13 25.573 0.3 . 1 . . . A 55 LEU CD2 . 25109 1 685 . 1 1 57 57 LEU N N 15 125.987 0.3 . 1 . . . A 55 LEU N . 25109 1 686 . 1 1 58 58 TRP H H 1 7.642 0.020 . 1 . . . A 56 TRP H . 25109 1 687 . 1 1 58 58 TRP HA H 1 4.080 0.020 . 1 . . . A 56 TRP HA . 25109 1 688 . 1 1 58 58 TRP HB2 H 1 3.139 0.020 . 2 . . . A 56 TRP HB2 . 25109 1 689 . 1 1 58 58 TRP HB3 H 1 3.031 0.020 . 2 . . . A 56 TRP HB3 . 25109 1 690 . 1 1 58 58 TRP HD1 H 1 6.739 0.020 . 1 . . . A 56 TRP HD1 . 25109 1 691 . 1 1 58 58 TRP HE1 H 1 9.564 0.020 . 1 . . . A 56 TRP HE1 . 25109 1 692 . 1 1 58 58 TRP HZ2 H 1 7.005 0.020 . 1 . . . A 56 TRP HZ2 . 25109 1 693 . 1 1 58 58 TRP HZ3 H 1 6.706 0.020 . 1 . . . A 56 TRP HZ3 . 25109 1 694 . 1 1 58 58 TRP HH2 H 1 6.928 0.020 . 1 . . . A 56 TRP HH2 . 25109 1 695 . 1 1 58 58 TRP C C 13 179.588 0.3 . 1 . . . A 56 TRP C . 25109 1 696 . 1 1 58 58 TRP CA C 13 61.481 0.3 . 1 . . . A 56 TRP CA . 25109 1 697 . 1 1 58 58 TRP CB C 13 29.192 0.3 . 1 . . . A 56 TRP CB . 25109 1 698 . 1 1 58 58 TRP CD1 C 13 127.132 0.3 . 1 . . . A 56 TRP CD1 . 25109 1 699 . 1 1 58 58 TRP CZ2 C 13 115.354 0.3 . 1 . . . A 56 TRP CZ2 . 25109 1 700 . 1 1 58 58 TRP CZ3 C 13 121.607 0.3 . 1 . . . A 56 TRP CZ3 . 25109 1 701 . 1 1 58 58 TRP CH2 C 13 124.491 0.3 . 1 . . . A 56 TRP CH2 . 25109 1 702 . 1 1 58 58 TRP N N 15 116.672 0.3 . 1 . . . A 56 TRP N . 25109 1 703 . 1 1 58 58 TRP NE1 N 15 129.446 0.3 . 1 . . . A 56 TRP NE1 . 25109 1 704 . 1 1 59 59 HIS H H 1 7.407 0.020 . 1 . . . A 57 HIS H . 25109 1 705 . 1 1 59 59 HIS HA H 1 4.276 0.020 . 1 . . . A 57 HIS HA . 25109 1 706 . 1 1 59 59 HIS HB2 H 1 3.282 0.020 . 1 . . . A 57 HIS HB2 . 25109 1 707 . 1 1 59 59 HIS HB3 H 1 3.282 0.020 . 1 . . . A 57 HIS HB3 . 25109 1 708 . 1 1 59 59 HIS HD2 H 1 7.362 0.020 . 1 . . . A 57 HIS HD2 . 25109 1 709 . 1 1 59 59 HIS C C 13 177.514 0.3 . 1 . . . A 57 HIS C . 25109 1 710 . 1 1 59 59 HIS CA C 13 58.952 0.3 . 1 . . . A 57 HIS CA . 25109 1 711 . 1 1 59 59 HIS CB C 13 28.002 0.3 . 1 . . . A 57 HIS CB . 25109 1 712 . 1 1 59 59 HIS CD2 C 13 120.490 0.3 . 1 . . . A 57 HIS CD2 . 25109 1 713 . 1 1 59 59 HIS N N 15 115.754 0.3 . 1 . . . A 57 HIS N . 25109 1 714 . 1 1 60 60 LEU H H 1 8.996 0.020 . 1 . . . A 58 LEU H . 25109 1 715 . 1 1 60 60 LEU HA H 1 3.787 0.020 . 1 . . . A 58 LEU HA . 25109 1 716 . 1 1 60 60 LEU HB2 H 1 1.956 0.020 . 2 . . . A 58 LEU HB2 . 25109 1 717 . 1 1 60 60 LEU HB3 H 1 1.192 0.020 . 2 . . . A 58 LEU HB3 . 25109 1 718 . 1 1 60 60 LEU HG H 1 1.134 0.020 . 1 . . . A 58 LEU HG . 25109 1 719 . 1 1 60 60 LEU HD11 H 1 0.683 0.020 . 2 . . . A 58 LEU HD11 . 25109 1 720 . 1 1 60 60 LEU HD12 H 1 0.683 0.020 . 2 . . . A 58 LEU HD12 . 25109 1 721 . 1 1 60 60 LEU HD13 H 1 0.683 0.020 . 2 . . . A 58 LEU HD13 . 25109 1 722 . 1 1 60 60 LEU HD21 H 1 0.574 0.020 . 2 . . . A 58 LEU HD21 . 25109 1 723 . 1 1 60 60 LEU HD22 H 1 0.574 0.020 . 2 . . . A 58 LEU HD22 . 25109 1 724 . 1 1 60 60 LEU HD23 H 1 0.574 0.020 . 2 . . . A 58 LEU HD23 . 25109 1 725 . 1 1 60 60 LEU C C 13 178.115 0.3 . 1 . . . A 58 LEU C . 25109 1 726 . 1 1 60 60 LEU CA C 13 58.909 0.3 . 1 . . . A 58 LEU CA . 25109 1 727 . 1 1 60 60 LEU CB C 13 40.815 0.3 . 1 . . . A 58 LEU CB . 25109 1 728 . 1 1 60 60 LEU CG C 13 27.573 0.3 . 1 . . . A 58 LEU CG . 25109 1 729 . 1 1 60 60 LEU CD1 C 13 25.207 0.3 . 1 . . . A 58 LEU CD1 . 25109 1 730 . 1 1 60 60 LEU CD2 C 13 25.881 0.3 . 1 . . . A 58 LEU CD2 . 25109 1 731 . 1 1 60 60 LEU N N 15 123.934 0.3 . 1 . . . A 58 LEU N . 25109 1 732 . 1 1 61 61 PHE H H 1 8.201 0.020 . 1 . . . A 59 PHE H . 25109 1 733 . 1 1 61 61 PHE HA H 1 3.935 0.020 . 1 . . . A 59 PHE HA . 25109 1 734 . 1 1 61 61 PHE HB2 H 1 2.901 0.020 . 2 . . . A 59 PHE HB2 . 25109 1 735 . 1 1 61 61 PHE HB3 H 1 2.811 0.020 . 2 . . . A 59 PHE HB3 . 25109 1 736 . 1 1 61 61 PHE HD1 H 1 6.660 0.020 . 1 . . . A 59 PHE HD1 . 25109 1 737 . 1 1 61 61 PHE HD2 H 1 6.660 0.020 . 1 . . . A 59 PHE HD2 . 25109 1 738 . 1 1 61 61 PHE HE1 H 1 6.789 0.020 . 1 . . . A 59 PHE HE1 . 25109 1 739 . 1 1 61 61 PHE HE2 H 1 6.789 0.020 . 1 . . . A 59 PHE HE2 . 25109 1 740 . 1 1 61 61 PHE C C 13 176.987 0.3 . 1 . . . A 59 PHE C . 25109 1 741 . 1 1 61 61 PHE CA C 13 60.113 0.3 . 1 . . . A 59 PHE CA . 25109 1 742 . 1 1 61 61 PHE CB C 13 36.960 0.3 . 1 . . . A 59 PHE CB . 25109 1 743 . 1 1 61 61 PHE CD1 C 13 130.531 0.3 . 1 . . . A 59 PHE CD1 . 25109 1 744 . 1 1 61 61 PHE CD2 C 13 130.531 0.3 . 1 . . . A 59 PHE CD2 . 25109 1 745 . 1 1 61 61 PHE CE1 C 13 128.642 0.3 . 1 . . . A 59 PHE CE1 . 25109 1 746 . 1 1 61 61 PHE CE2 C 13 128.642 0.3 . 1 . . . A 59 PHE CE2 . 25109 1 747 . 1 1 61 61 PHE N N 15 117.721 0.3 . 1 . . . A 59 PHE N . 25109 1 748 . 1 1 62 62 ASN H H 1 7.666 0.020 . 1 . . . A 60 ASN H . 25109 1 749 . 1 1 62 62 ASN HA H 1 3.919 0.020 . 1 . . . A 60 ASN HA . 25109 1 750 . 1 1 62 62 ASN HB2 H 1 2.523 0.020 . 2 . . . A 60 ASN HB2 . 25109 1 751 . 1 1 62 62 ASN HB3 H 1 2.461 0.020 . 2 . . . A 60 ASN HB3 . 25109 1 752 . 1 1 62 62 ASN HD21 H 1 7.220 0.020 . 1 . . . A 60 ASN HD21 . 25109 1 753 . 1 1 62 62 ASN HD22 H 1 6.677 0.020 . 1 . . . A 60 ASN HD22 . 25109 1 754 . 1 1 62 62 ASN C C 13 176.670 0.3 . 1 . . . A 60 ASN C . 25109 1 755 . 1 1 62 62 ASN CA C 13 56.756 0.3 . 1 . . . A 60 ASN CA . 25109 1 756 . 1 1 62 62 ASN CB C 13 39.318 0.3 . 1 . . . A 60 ASN CB . 25109 1 757 . 1 1 62 62 ASN N N 15 115.695 0.3 . 1 . . . A 60 ASN N . 25109 1 758 . 1 1 62 62 ASN ND2 N 15 111.618 0.3 . 1 . . . A 60 ASN ND2 . 25109 1 759 . 1 1 63 63 THR H H 1 7.782 0.020 . 1 . . . A 61 THR H . 25109 1 760 . 1 1 63 63 THR HA H 1 3.733 0.020 . 1 . . . A 61 THR HA . 25109 1 761 . 1 1 63 63 THR HB H 1 3.998 0.020 . 1 . . . A 61 THR HB . 25109 1 762 . 1 1 63 63 THR HG21 H 1 0.964 0.020 . 1 . . . A 61 THR HG21 . 25109 1 763 . 1 1 63 63 THR HG22 H 1 0.964 0.020 . 1 . . . A 61 THR HG22 . 25109 1 764 . 1 1 63 63 THR HG23 H 1 0.964 0.020 . 1 . . . A 61 THR HG23 . 25109 1 765 . 1 1 63 63 THR CA C 13 66.319 0.3 . 1 . . . A 61 THR CA . 25109 1 766 . 1 1 63 63 THR CB C 13 69.174 0.3 . 1 . . . A 61 THR CB . 25109 1 767 . 1 1 63 63 THR CG2 C 13 21.440 0.3 . 1 . . . A 61 THR CG2 . 25109 1 768 . 1 1 63 63 THR N N 15 115.110 0.3 . 1 . . . A 61 THR N . 25109 1 769 . 1 1 64 64 LEU H H 1 8.362 0.020 . 1 . . . A 62 LEU H . 25109 1 770 . 1 1 64 64 LEU HA H 1 3.489 0.020 . 1 . . . A 62 LEU HA . 25109 1 771 . 1 1 64 64 LEU HB2 H 1 1.194 0.020 . 2 . . . A 62 LEU HB2 . 25109 1 772 . 1 1 64 64 LEU HB3 H 1 1.038 0.020 . 2 . . . A 62 LEU HB3 . 25109 1 773 . 1 1 64 64 LEU HG H 1 1.517 0.020 . 1 . . . A 62 LEU HG . 25109 1 774 . 1 1 64 64 LEU HD11 H 1 0.718 0.020 . 2 . . . A 62 LEU HD11 . 25109 1 775 . 1 1 64 64 LEU HD12 H 1 0.718 0.020 . 2 . . . A 62 LEU HD12 . 25109 1 776 . 1 1 64 64 LEU HD13 H 1 0.718 0.020 . 2 . . . A 62 LEU HD13 . 25109 1 777 . 1 1 64 64 LEU HD21 H 1 0.664 0.020 . 2 . . . A 62 LEU HD21 . 25109 1 778 . 1 1 64 64 LEU HD22 H 1 0.664 0.020 . 2 . . . A 62 LEU HD22 . 25109 1 779 . 1 1 64 64 LEU HD23 H 1 0.664 0.020 . 2 . . . A 62 LEU HD23 . 25109 1 780 . 1 1 64 64 LEU C C 13 176.600 0.3 . 1 . . . A 62 LEU C . 25109 1 781 . 1 1 64 64 LEU CA C 13 57.965 0.3 . 1 . . . A 62 LEU CA . 25109 1 782 . 1 1 64 64 LEU CB C 13 42.335 0.3 . 1 . . . A 62 LEU CB . 25109 1 783 . 1 1 64 64 LEU CG C 13 26.763 0.3 . 1 . . . A 62 LEU CG . 25109 1 784 . 1 1 64 64 LEU CD1 C 13 25.051 0.3 . 1 . . . A 62 LEU CD1 . 25109 1 785 . 1 1 64 64 LEU CD2 C 13 25.667 0.3 . 1 . . . A 62 LEU CD2 . 25109 1 786 . 1 1 64 64 LEU N N 15 121.559 0.3 . 1 . . . A 62 LEU N . 25109 1 787 . 1 1 65 65 GLN H H 1 6.458 0.020 . 1 . . . A 63 GLN H . 25109 1 788 . 1 1 65 65 GLN HA H 1 2.077 0.020 . 1 . . . A 63 GLN HA . 25109 1 789 . 1 1 65 65 GLN HB2 H 1 1.526 0.020 . 2 . . . A 63 GLN HB2 . 25109 1 790 . 1 1 65 65 GLN HB3 H 1 0.417 0.020 . 2 . . . A 63 GLN HB3 . 25109 1 791 . 1 1 65 65 GLN HG2 H 1 1.531 0.020 . 2 . . . A 63 GLN HG2 . 25109 1 792 . 1 1 65 65 GLN HG3 H 1 0.681 0.020 . 2 . . . A 63 GLN HG3 . 25109 1 793 . 1 1 65 65 GLN HE21 H 1 6.744 0.020 . 1 . . . A 63 GLN HE21 . 25109 1 794 . 1 1 65 65 GLN HE22 H 1 6.108 0.020 . 1 . . . A 63 GLN HE22 . 25109 1 795 . 1 1 65 65 GLN C C 13 175.194 0.3 . 1 . . . A 63 GLN C . 25109 1 796 . 1 1 65 65 GLN CA C 13 56.266 0.3 . 1 . . . A 63 GLN CA . 25109 1 797 . 1 1 65 65 GLN CB C 13 25.694 0.3 . 1 . . . A 63 GLN CB . 25109 1 798 . 1 1 65 65 GLN CG C 13 30.912 0.3 . 1 . . . A 63 GLN CG . 25109 1 799 . 1 1 65 65 GLN N N 15 109.150 0.3 . 1 . . . A 63 GLN N . 25109 1 800 . 1 1 65 65 GLN NE2 N 15 109.699 0.3 . 1 . . . A 63 GLN NE2 . 25109 1 801 . 1 1 66 66 ARG H H 1 6.596 0.020 . 1 . . . A 64 ARG H . 25109 1 802 . 1 1 66 66 ARG HA H 1 4.098 0.020 . 1 . . . A 64 ARG HA . 25109 1 803 . 1 1 66 66 ARG HB2 H 1 1.917 0.020 . 2 . . . A 64 ARG HB2 . 25109 1 804 . 1 1 66 66 ARG HB3 H 1 1.617 0.020 . 2 . . . A 64 ARG HB3 . 25109 1 805 . 1 1 66 66 ARG HG2 H 1 1.562 0.020 . 2 . . . A 64 ARG HG2 . 25109 1 806 . 1 1 66 66 ARG HG3 H 1 1.408 0.020 . 2 . . . A 64 ARG HG3 . 25109 1 807 . 1 1 66 66 ARG HD2 H 1 3.064 0.020 . 1 . . . A 64 ARG HD2 . 25109 1 808 . 1 1 66 66 ARG HD3 H 1 3.064 0.020 . 1 . . . A 64 ARG HD3 . 25109 1 809 . 1 1 66 66 ARG HE H 1 6.885 0.020 . 1 . . . A 64 ARG HE . 25109 1 810 . 1 1 66 66 ARG C C 13 176.459 0.3 . 1 . . . A 64 ARG C . 25109 1 811 . 1 1 66 66 ARG CA C 13 56.143 0.3 . 1 . . . A 64 ARG CA . 25109 1 812 . 1 1 66 66 ARG CB C 13 30.584 0.3 . 1 . . . A 64 ARG CB . 25109 1 813 . 1 1 66 66 ARG CG C 13 27.707 0.3 . 1 . . . A 64 ARG CG . 25109 1 814 . 1 1 66 66 ARG CD C 13 43.506 0.3 . 1 . . . A 64 ARG CD . 25109 1 815 . 1 1 66 66 ARG N N 15 116.029 0.3 . 1 . . . A 64 ARG N . 25109 1 816 . 1 1 66 66 ARG NE N 15 84.716 0.3 . 1 . . . A 64 ARG NE . 25109 1 817 . 1 1 67 67 ARG H H 1 7.932 0.020 . 1 . . . A 65 ARG H . 25109 1 818 . 1 1 67 67 ARG HA H 1 4.834 0.020 . 1 . . . A 65 ARG HA . 25109 1 819 . 1 1 67 67 ARG HB2 H 1 2.080 0.020 . 2 . . . A 65 ARG HB2 . 25109 1 820 . 1 1 67 67 ARG HB3 H 1 1.796 0.020 . 2 . . . A 65 ARG HB3 . 25109 1 821 . 1 1 67 67 ARG HG2 H 1 1.735 0.020 . 2 . . . A 65 ARG HG2 . 25109 1 822 . 1 1 67 67 ARG HG3 H 1 1.456 0.020 . 2 . . . A 65 ARG HG3 . 25109 1 823 . 1 1 67 67 ARG HD2 H 1 3.148 0.020 . 1 . . . A 65 ARG HD2 . 25109 1 824 . 1 1 67 67 ARG HD3 H 1 3.148 0.020 . 1 . . . A 65 ARG HD3 . 25109 1 825 . 1 1 67 67 ARG HE H 1 7.448 0.020 . 1 . . . A 65 ARG HE . 25109 1 826 . 1 1 67 67 ARG C C 13 173.436 0.3 . 1 . . . A 65 ARG C . 25109 1 827 . 1 1 67 67 ARG CA C 13 51.545 0.3 . 1 . . . A 65 ARG CA . 25109 1 828 . 1 1 67 67 ARG CB C 13 28.996 0.3 . 1 . . . A 65 ARG CB . 25109 1 829 . 1 1 67 67 ARG CG C 13 26.532 0.3 . 1 . . . A 65 ARG CG . 25109 1 830 . 1 1 67 67 ARG CD C 13 42.355 0.3 . 1 . . . A 65 ARG CD . 25109 1 831 . 1 1 67 67 ARG N N 15 120.422 0.3 . 1 . . . A 65 ARG N . 25109 1 832 . 1 1 67 67 ARG NE N 15 84.291 0.3 . 1 . . . A 65 ARG NE . 25109 1 833 . 1 1 68 68 PRO HA H 1 4.574 0.020 . 1 . . . A 66 PRO HA . 25109 1 834 . 1 1 68 68 PRO HB2 H 1 2.340 0.020 . 2 . . . A 66 PRO HB2 . 25109 1 835 . 1 1 68 68 PRO HB3 H 1 1.938 0.020 . 2 . . . A 66 PRO HB3 . 25109 1 836 . 1 1 68 68 PRO HG2 H 1 2.155 0.020 . 2 . . . A 66 PRO HG2 . 25109 1 837 . 1 1 68 68 PRO HG3 H 1 2.039 0.020 . 2 . . . A 66 PRO HG3 . 25109 1 838 . 1 1 68 68 PRO HD2 H 1 3.986 0.020 . 2 . . . A 66 PRO HD2 . 25109 1 839 . 1 1 68 68 PRO HD3 H 1 3.669 0.020 . 2 . . . A 66 PRO HD3 . 25109 1 840 . 1 1 68 68 PRO CB C 13 32.059 0.3 . 1 . . . A 66 PRO CB . 25109 1 841 . 1 1 68 68 PRO CG C 13 27.942 0.3 . 1 . . . A 66 PRO CG . 25109 1 842 . 1 1 68 68 PRO CD C 13 50.947 0.3 . 1 . . . A 66 PRO CD . 25109 1 843 . 1 1 69 69 GLY H H 1 9.198 0.020 . 1 . . . A 67 GLY H . 25109 1 844 . 1 1 69 69 GLY HA2 H 1 4.032 0.020 . 2 . . . A 67 GLY HA2 . 25109 1 845 . 1 1 69 69 GLY HA3 H 1 3.754 0.020 . 2 . . . A 67 GLY HA3 . 25109 1 846 . 1 1 69 69 GLY C C 13 177.057 0.3 . 1 . . . A 67 GLY C . 25109 1 847 . 1 1 69 69 GLY CA C 13 46.307 0.3 . 1 . . . A 67 GLY CA . 25109 1 848 . 1 1 69 69 GLY N N 15 111.953 0.3 . 1 . . . A 67 GLY N . 25109 1 849 . 1 1 70 70 TRP H H 1 7.647 0.020 . 1 . . . A 68 TRP H . 25109 1 850 . 1 1 70 70 TRP HA H 1 4.342 0.020 . 1 . . . A 68 TRP HA . 25109 1 851 . 1 1 70 70 TRP HB2 H 1 3.706 0.020 . 2 . . . A 68 TRP HB2 . 25109 1 852 . 1 1 70 70 TRP HB3 H 1 3.074 0.020 . 2 . . . A 68 TRP HB3 . 25109 1 853 . 1 1 70 70 TRP HD1 H 1 7.501 0.020 . 1 . . . A 68 TRP HD1 . 25109 1 854 . 1 1 70 70 TRP HE1 H 1 10.261 0.020 . 1 . . . A 68 TRP HE1 . 25109 1 855 . 1 1 70 70 TRP HE3 H 1 6.989 0.020 . 1 . . . A 68 TRP HE3 . 25109 1 856 . 1 1 70 70 TRP HZ2 H 1 7.586 0.020 . 1 . . . A 68 TRP HZ2 . 25109 1 857 . 1 1 70 70 TRP HZ3 H 1 6.323 0.020 . 1 . . . A 68 TRP HZ3 . 25109 1 858 . 1 1 70 70 TRP HH2 H 1 6.577 0.020 . 1 . . . A 68 TRP HH2 . 25109 1 859 . 1 1 70 70 TRP C C 13 177.690 0.3 . 1 . . . A 68 TRP C . 25109 1 860 . 1 1 70 70 TRP CA C 13 60.116 0.3 . 1 . . . A 68 TRP CA . 25109 1 861 . 1 1 70 70 TRP CB C 13 29.190 0.3 . 1 . . . A 68 TRP CB . 25109 1 862 . 1 1 70 70 TRP CD1 C 13 129.820 0.3 . 1 . . . A 68 TRP CD1 . 25109 1 863 . 1 1 70 70 TRP CE3 C 13 120.456 0.3 . 1 . . . A 68 TRP CE3 . 25109 1 864 . 1 1 70 70 TRP CZ2 C 13 115.707 0.3 . 1 . . . A 68 TRP CZ2 . 25109 1 865 . 1 1 70 70 TRP CZ3 C 13 120.244 0.3 . 1 . . . A 68 TRP CZ3 . 25109 1 866 . 1 1 70 70 TRP CH2 C 13 122.390 0.3 . 1 . . . A 68 TRP CH2 . 25109 1 867 . 1 1 70 70 TRP N N 15 117.467 0.3 . 1 . . . A 68 TRP N . 25109 1 868 . 1 1 70 70 TRP NE1 N 15 130.192 0.3 . 1 . . . A 68 TRP NE1 . 25109 1 869 . 1 1 71 71 VAL H H 1 6.666 0.020 . 1 . . . A 69 VAL H . 25109 1 870 . 1 1 71 71 VAL HA H 1 2.637 0.020 . 1 . . . A 69 VAL HA . 25109 1 871 . 1 1 71 71 VAL HB H 1 0.694 0.020 . 1 . . . A 69 VAL HB . 25109 1 872 . 1 1 71 71 VAL HG11 H 1 -0.143 0.020 . 2 . . . A 69 VAL HG11 . 25109 1 873 . 1 1 71 71 VAL HG12 H 1 -0.143 0.020 . 2 . . . A 69 VAL HG12 . 25109 1 874 . 1 1 71 71 VAL HG13 H 1 -0.143 0.020 . 2 . . . A 69 VAL HG13 . 25109 1 875 . 1 1 71 71 VAL HG21 H 1 -0.849 0.020 . 2 . . . A 69 VAL HG21 . 25109 1 876 . 1 1 71 71 VAL HG22 H 1 -0.849 0.020 . 2 . . . A 69 VAL HG22 . 25109 1 877 . 1 1 71 71 VAL HG23 H 1 -0.849 0.020 . 2 . . . A 69 VAL HG23 . 25109 1 878 . 1 1 71 71 VAL C C 13 177.993 0.3 . 1 . . . A 69 VAL C . 25109 1 879 . 1 1 71 71 VAL CA C 13 67.466 0.3 . 1 . . . A 69 VAL CA . 25109 1 880 . 1 1 71 71 VAL CB C 13 30.026 0.3 . 1 . . . A 69 VAL CB . 25109 1 881 . 1 1 71 71 VAL CG1 C 13 21.123 0.3 . 1 . . . A 69 VAL CG1 . 25109 1 882 . 1 1 71 71 VAL CG2 C 13 20.884 0.3 . 1 . . . A 69 VAL CG2 . 25109 1 883 . 1 1 71 71 VAL N N 15 121.482 0.3 . 1 . . . A 69 VAL N . 25109 1 884 . 1 1 72 72 GLU H H 1 7.410 0.020 . 1 . . . A 70 GLU H . 25109 1 885 . 1 1 72 72 GLU HA H 1 3.825 0.020 . 1 . . . A 70 GLU HA . 25109 1 886 . 1 1 72 72 GLU HB2 H 1 1.789 0.020 . 2 . . . A 70 GLU HB2 . 25109 1 887 . 1 1 72 72 GLU HB3 H 1 1.751 0.020 . 2 . . . A 70 GLU HB3 . 25109 1 888 . 1 1 72 72 GLU HG2 H 1 2.286 0.020 . 2 . . . A 70 GLU HG2 . 25109 1 889 . 1 1 72 72 GLU HG3 H 1 2.238 0.020 . 2 . . . A 70 GLU HG3 . 25109 1 890 . 1 1 72 72 GLU C C 13 180.362 0.3 . 1 . . . A 70 GLU C . 25109 1 891 . 1 1 72 72 GLU CA C 13 59.221 0.3 . 1 . . . A 70 GLU CA . 25109 1 892 . 1 1 72 72 GLU CB C 13 27.305 0.3 . 1 . . . A 70 GLU CB . 25109 1 893 . 1 1 72 72 GLU CG C 13 33.209 0.3 . 1 . . . A 70 GLU CG . 25109 1 894 . 1 1 72 72 GLU N N 15 116.350 0.3 . 1 . . . A 70 GLU N . 25109 1 895 . 1 1 73 73 TYR H H 1 7.159 0.020 . 1 . . . A 71 TYR H . 25109 1 896 . 1 1 73 73 TYR HA H 1 4.450 0.020 . 1 . . . A 71 TYR HA . 25109 1 897 . 1 1 73 73 TYR HB2 H 1 3.300 0.020 . 2 . . . A 71 TYR HB2 . 25109 1 898 . 1 1 73 73 TYR HB3 H 1 3.065 0.020 . 2 . . . A 71 TYR HB3 . 25109 1 899 . 1 1 73 73 TYR HD1 H 1 7.269 0.020 . 1 . . . A 71 TYR HD1 . 25109 1 900 . 1 1 73 73 TYR HD2 H 1 7.269 0.020 . 1 . . . A 71 TYR HD2 . 25109 1 901 . 1 1 73 73 TYR HE1 H 1 6.844 0.020 . 1 . . . A 71 TYR HE1 . 25109 1 902 . 1 1 73 73 TYR HE2 H 1 6.844 0.020 . 1 . . . A 71 TYR HE2 . 25109 1 903 . 1 1 73 73 TYR C C 13 178.411 0.3 . 1 . . . A 71 TYR C . 25109 1 904 . 1 1 73 73 TYR CA C 13 61.602 0.3 . 1 . . . A 71 TYR CA . 25109 1 905 . 1 1 73 73 TYR CB C 13 38.355 0.3 . 1 . . . A 71 TYR CB . 25109 1 906 . 1 1 73 73 TYR CD1 C 13 133.261 0.3 . 1 . . . A 71 TYR CD1 . 25109 1 907 . 1 1 73 73 TYR CD2 C 13 133.261 0.3 . 1 . . . A 71 TYR CD2 . 25109 1 908 . 1 1 73 73 TYR CE1 C 13 119.002 0.3 . 1 . . . A 71 TYR CE1 . 25109 1 909 . 1 1 73 73 TYR CE2 C 13 119.002 0.3 . 1 . . . A 71 TYR CE2 . 25109 1 910 . 1 1 73 73 TYR N N 15 116.750 0.3 . 1 . . . A 71 TYR N . 25109 1 911 . 1 1 74 74 PHE H H 1 9.007 0.020 . 1 . . . A 72 PHE H . 25109 1 912 . 1 1 74 74 PHE HA H 1 4.502 0.020 . 1 . . . A 72 PHE HA . 25109 1 913 . 1 1 74 74 PHE HB2 H 1 3.491 0.020 . 2 . . . A 72 PHE HB2 . 25109 1 914 . 1 1 74 74 PHE HB3 H 1 3.350 0.020 . 2 . . . A 72 PHE HB3 . 25109 1 915 . 1 1 74 74 PHE HD1 H 1 7.131 0.020 . 1 . . . A 72 PHE HD1 . 25109 1 916 . 1 1 74 74 PHE HD2 H 1 7.131 0.020 . 1 . . . A 72 PHE HD2 . 25109 1 917 . 1 1 74 74 PHE CA C 13 60.820 0.3 . 1 . . . A 72 PHE CA . 25109 1 918 . 1 1 74 74 PHE CB C 13 40.049 0.3 . 1 . . . A 72 PHE CB . 25109 1 919 . 1 1 74 74 PHE CD1 C 13 131.266 0.3 . 1 . . . A 72 PHE CD1 . 25109 1 920 . 1 1 74 74 PHE CD2 C 13 131.266 0.3 . 1 . . . A 72 PHE CD2 . 25109 1 921 . 1 1 74 74 PHE N N 15 121.610 0.3 . 1 . . . A 72 PHE N . 25109 1 922 . 1 1 75 75 ILE H H 1 8.644 0.020 . 1 . . . A 73 ILE H . 25109 1 923 . 1 1 75 75 ILE HA H 1 3.180 0.020 . 1 . . . A 73 ILE HA . 25109 1 924 . 1 1 75 75 ILE HB H 1 1.617 0.020 . 1 . . . A 73 ILE HB . 25109 1 925 . 1 1 75 75 ILE HG12 H 1 1.745 0.020 . 2 . . . A 73 ILE HG12 . 25109 1 926 . 1 1 75 75 ILE HG13 H 1 0.774 0.020 . 2 . . . A 73 ILE HG13 . 25109 1 927 . 1 1 75 75 ILE HG21 H 1 0.823 0.020 . 1 . . . A 73 ILE HG21 . 25109 1 928 . 1 1 75 75 ILE HG22 H 1 0.823 0.020 . 1 . . . A 73 ILE HG22 . 25109 1 929 . 1 1 75 75 ILE HG23 H 1 0.823 0.020 . 1 . . . A 73 ILE HG23 . 25109 1 930 . 1 1 75 75 ILE HD11 H 1 0.587 0.020 . 1 . . . A 73 ILE HD11 . 25109 1 931 . 1 1 75 75 ILE HD12 H 1 0.587 0.020 . 1 . . . A 73 ILE HD12 . 25109 1 932 . 1 1 75 75 ILE HD13 H 1 0.587 0.020 . 1 . . . A 73 ILE HD13 . 25109 1 933 . 1 1 75 75 ILE C C 13 177.620 0.3 . 1 . . . A 73 ILE C . 25109 1 934 . 1 1 75 75 ILE CA C 13 67.197 0.3 . 1 . . . A 73 ILE CA . 25109 1 935 . 1 1 75 75 ILE CB C 13 39.023 0.3 . 1 . . . A 73 ILE CB . 25109 1 936 . 1 1 75 75 ILE CG1 C 13 30.405 0.3 . 1 . . . A 73 ILE CG1 . 25109 1 937 . 1 1 75 75 ILE CG2 C 13 17.608 0.3 . 1 . . . A 73 ILE CG2 . 25109 1 938 . 1 1 75 75 ILE CD1 C 13 14.782 0.3 . 1 . . . A 73 ILE CD1 . 25109 1 939 . 1 1 75 75 ILE N N 15 119.200 0.3 . 1 . . . A 73 ILE N . 25109 1 940 . 1 1 76 76 ALA H H 1 7.476 0.020 . 1 . . . A 74 ALA H . 25109 1 941 . 1 1 76 76 ALA HA H 1 3.954 0.020 . 1 . . . A 74 ALA HA . 25109 1 942 . 1 1 76 76 ALA HB1 H 1 1.549 0.020 . 1 . . . A 74 ALA HB1 . 25109 1 943 . 1 1 76 76 ALA HB2 H 1 1.549 0.020 . 1 . . . A 74 ALA HB2 . 25109 1 944 . 1 1 76 76 ALA HB3 H 1 1.549 0.020 . 1 . . . A 74 ALA HB3 . 25109 1 945 . 1 1 76 76 ALA C C 13 181.030 0.3 . 1 . . . A 74 ALA C . 25109 1 946 . 1 1 76 76 ALA CA C 13 55.411 0.3 . 1 . . . A 74 ALA CA . 25109 1 947 . 1 1 76 76 ALA CB C 13 18.136 0.3 . 1 . . . A 74 ALA CB . 25109 1 948 . 1 1 76 76 ALA N N 15 119.624 0.3 . 1 . . . A 74 ALA N . 25109 1 949 . 1 1 77 77 ALA H H 1 8.524 0.020 . 1 . . . A 75 ALA H . 25109 1 950 . 1 1 77 77 ALA HA H 1 3.838 0.020 . 1 . . . A 75 ALA HA . 25109 1 951 . 1 1 77 77 ALA HB1 H 1 1.574 0.020 . 1 . . . A 75 ALA HB1 . 25109 1 952 . 1 1 77 77 ALA HB2 H 1 1.574 0.020 . 1 . . . A 75 ALA HB2 . 25109 1 953 . 1 1 77 77 ALA HB3 H 1 1.574 0.020 . 1 . . . A 75 ALA HB3 . 25109 1 954 . 1 1 77 77 ALA C C 13 179.272 0.3 . 1 . . . A 75 ALA C . 25109 1 955 . 1 1 77 77 ALA CA C 13 55.102 0.3 . 1 . . . A 75 ALA CA . 25109 1 956 . 1 1 77 77 ALA CB C 13 19.593 0.3 . 1 . . . A 75 ALA CB . 25109 1 957 . 1 1 77 77 ALA N N 15 123.625 0.3 . 1 . . . A 75 ALA N . 25109 1 958 . 1 1 78 78 LEU H H 1 8.153 0.020 . 1 . . . A 76 LEU H . 25109 1 959 . 1 1 78 78 LEU HA H 1 3.672 0.020 . 1 . . . A 76 LEU HA . 25109 1 960 . 1 1 78 78 LEU HB2 H 1 1.774 0.020 . 2 . . . A 76 LEU HB2 . 25109 1 961 . 1 1 78 78 LEU HB3 H 1 1.285 0.020 . 2 . . . A 76 LEU HB3 . 25109 1 962 . 1 1 78 78 LEU HG H 1 1.104 0.020 . 1 . . . A 76 LEU HG . 25109 1 963 . 1 1 78 78 LEU HD11 H 1 0.689 0.020 . 2 . . . A 76 LEU HD11 . 25109 1 964 . 1 1 78 78 LEU HD12 H 1 0.689 0.020 . 2 . . . A 76 LEU HD12 . 25109 1 965 . 1 1 78 78 LEU HD13 H 1 0.689 0.020 . 2 . . . A 76 LEU HD13 . 25109 1 966 . 1 1 78 78 LEU HD21 H 1 0.213 0.020 . 2 . . . A 76 LEU HD21 . 25109 1 967 . 1 1 78 78 LEU HD22 H 1 0.213 0.020 . 2 . . . A 76 LEU HD22 . 25109 1 968 . 1 1 78 78 LEU HD23 H 1 0.213 0.020 . 2 . . . A 76 LEU HD23 . 25109 1 969 . 1 1 78 78 LEU C C 13 180.001 0.3 . 1 . . . A 76 LEU C . 25109 1 970 . 1 1 78 78 LEU CA C 13 58.256 0.3 . 1 . . . A 76 LEU CA . 25109 1 971 . 1 1 78 78 LEU CB C 13 41.619 0.3 . 1 . . . A 76 LEU CB . 25109 1 972 . 1 1 78 78 LEU CG C 13 26.103 0.3 . 1 . . . A 76 LEU CG . 25109 1 973 . 1 1 78 78 LEU CD1 C 13 23.393 0.3 . 1 . . . A 76 LEU CD1 . 25109 1 974 . 1 1 78 78 LEU CD2 C 13 25.646 0.3 . 1 . . . A 76 LEU CD2 . 25109 1 975 . 1 1 78 78 LEU N N 15 118.114 0.3 . 1 . . . A 76 LEU N . 25109 1 976 . 1 1 79 79 ARG H H 1 7.945 0.020 . 1 . . . A 77 ARG H . 25109 1 977 . 1 1 79 79 ARG HA H 1 3.447 0.020 . 1 . . . A 77 ARG HA . 25109 1 978 . 1 1 79 79 ARG HB2 H 1 1.685 0.020 . 2 . . . A 77 ARG HB2 . 25109 1 979 . 1 1 79 79 ARG HB3 H 1 1.280 0.020 . 2 . . . A 77 ARG HB3 . 25109 1 980 . 1 1 79 79 ARG HD2 H 1 3.128 0.020 . 2 . . . A 77 ARG HD2 . 25109 1 981 . 1 1 79 79 ARG HD3 H 1 3.008 0.020 . 2 . . . A 77 ARG HD3 . 25109 1 982 . 1 1 79 79 ARG HE H 1 7.067 0.020 . 1 . . . A 77 ARG HE . 25109 1 983 . 1 1 79 79 ARG C C 13 180.889 0.3 . 1 . . . A 77 ARG C . 25109 1 984 . 1 1 79 79 ARG CA C 13 61.066 0.3 . 1 . . . A 77 ARG CA . 25109 1 985 . 1 1 79 79 ARG CB C 13 29.197 0.3 . 1 . . . A 77 ARG CB . 25109 1 986 . 1 1 79 79 ARG CD C 13 43.050 0.3 . 1 . . . A 77 ARG CD . 25109 1 987 . 1 1 79 79 ARG N N 15 117.830 0.3 . 1 . . . A 77 ARG N . 25109 1 988 . 1 1 79 79 ARG NE N 15 84.170 0.3 . 1 . . . A 77 ARG NE . 25109 1 989 . 1 1 80 80 GLY H H 1 8.269 0.020 . 1 . . . A 78 GLY H . 25109 1 990 . 1 1 80 80 GLY HA2 H 1 3.674 0.020 . 2 . . . A 78 GLY HA2 . 25109 1 991 . 1 1 80 80 GLY HA3 H 1 3.191 0.020 . 2 . . . A 78 GLY HA3 . 25109 1 992 . 1 1 80 80 GLY C C 13 174.807 0.3 . 1 . . . A 78 GLY C . 25109 1 993 . 1 1 80 80 GLY CA C 13 46.560 0.3 . 1 . . . A 78 GLY CA . 25109 1 994 . 1 1 80 80 GLY N N 15 110.202 0.3 . 1 . . . A 78 GLY N . 25109 1 995 . 1 1 81 81 CYS H H 1 7.132 0.020 . 1 . . . A 79 CYS H . 25109 1 996 . 1 1 81 81 CYS HA H 1 4.389 0.020 . 1 . . . A 79 CYS HA . 25109 1 997 . 1 1 81 81 CYS HB2 H 1 2.963 0.020 . 2 . . . A 79 CYS HB2 . 25109 1 998 . 1 1 81 81 CYS HB3 H 1 2.687 0.020 . 2 . . . A 79 CYS HB3 . 25109 1 999 . 1 1 81 81 CYS C C 13 173.025 0.3 . 1 . . . A 79 CYS C . 25109 1 1000 . 1 1 81 81 CYS CA C 13 59.957 0.3 . 1 . . . A 79 CYS CA . 25109 1 1001 . 1 1 81 81 CYS CB C 13 27.805 0.3 . 1 . . . A 79 CYS CB . 25109 1 1002 . 1 1 81 81 CYS N N 15 115.567 0.3 . 1 . . . A 79 CYS N . 25109 1 1003 . 1 1 82 82 GLU H H 1 7.772 0.020 . 1 . . . A 80 GLU H . 25109 1 1004 . 1 1 82 82 GLU HA H 1 3.733 0.020 . 1 . . . A 80 GLU HA . 25109 1 1005 . 1 1 82 82 GLU HB2 H 1 2.329 0.020 . 1 . . . A 80 GLU HB2 . 25109 1 1006 . 1 1 82 82 GLU HB3 H 1 2.329 0.020 . 1 . . . A 80 GLU HB3 . 25109 1 1007 . 1 1 82 82 GLU HG2 H 1 2.375 0.020 . 2 . . . A 80 GLU HG2 . 25109 1 1008 . 1 1 82 82 GLU HG3 H 1 2.296 0.020 . 2 . . . A 80 GLU HG3 . 25109 1 1009 . 1 1 82 82 GLU C C 13 175.827 0.3 . 1 . . . A 80 GLU C . 25109 1 1010 . 1 1 82 82 GLU CA C 13 57.467 0.3 . 1 . . . A 80 GLU CA . 25109 1 1011 . 1 1 82 82 GLU CB C 13 24.717 0.3 . 1 . . . A 80 GLU CB . 25109 1 1012 . 1 1 82 82 GLU CG C 13 33.172 0.3 . 1 . . . A 80 GLU CG . 25109 1 1013 . 1 1 82 82 GLU N N 15 111.759 0.3 . 1 . . . A 80 GLU N . 25109 1 1014 . 1 1 83 83 LEU H H 1 8.167 0.020 . 1 . . . A 81 LEU H . 25109 1 1015 . 1 1 83 83 LEU HA H 1 4.691 0.020 . 1 . . . A 81 LEU HA . 25109 1 1016 . 1 1 83 83 LEU HB2 H 1 1.624 0.020 . 2 . . . A 81 LEU HB2 . 25109 1 1017 . 1 1 83 83 LEU HB3 H 1 1.350 0.020 . 2 . . . A 81 LEU HB3 . 25109 1 1018 . 1 1 83 83 LEU HG H 1 1.465 0.020 . 1 . . . A 81 LEU HG . 25109 1 1019 . 1 1 83 83 LEU HD11 H 1 0.844 0.020 . 2 . . . A 81 LEU HD11 . 25109 1 1020 . 1 1 83 83 LEU HD12 H 1 0.844 0.020 . 2 . . . A 81 LEU HD12 . 25109 1 1021 . 1 1 83 83 LEU HD13 H 1 0.844 0.020 . 2 . . . A 81 LEU HD13 . 25109 1 1022 . 1 1 83 83 LEU HD21 H 1 0.762 0.020 . 2 . . . A 81 LEU HD21 . 25109 1 1023 . 1 1 83 83 LEU HD22 H 1 0.762 0.020 . 2 . . . A 81 LEU HD22 . 25109 1 1024 . 1 1 83 83 LEU HD23 H 1 0.762 0.020 . 2 . . . A 81 LEU HD23 . 25109 1 1025 . 1 1 83 83 LEU CA C 13 52.955 0.3 . 1 . . . A 81 LEU CA . 25109 1 1026 . 1 1 83 83 LEU CB C 13 39.391 0.3 . 1 . . . A 81 LEU CB . 25109 1 1027 . 1 1 83 83 LEU CG C 13 26.151 0.3 . 1 . . . A 81 LEU CG . 25109 1 1028 . 1 1 83 83 LEU CD1 C 13 27.372 0.3 . 1 . . . A 81 LEU CD1 . 25109 1 1029 . 1 1 83 83 LEU CD2 C 13 22.969 0.3 . 1 . . . A 81 LEU CD2 . 25109 1 1030 . 1 1 83 83 LEU N N 15 124.692 0.3 . 1 . . . A 81 LEU N . 25109 1 1031 . 1 1 84 84 VAL H H 1 7.141 0.020 . 1 . . . A 82 VAL H . 25109 1 1032 . 1 1 84 84 VAL HA H 1 3.177 0.020 . 1 . . . A 82 VAL HA . 25109 1 1033 . 1 1 84 84 VAL HB H 1 1.911 0.020 . 1 . . . A 82 VAL HB . 25109 1 1034 . 1 1 84 84 VAL HG11 H 1 0.871 0.020 . 2 . . . A 82 VAL HG11 . 25109 1 1035 . 1 1 84 84 VAL HG12 H 1 0.871 0.020 . 2 . . . A 82 VAL HG12 . 25109 1 1036 . 1 1 84 84 VAL HG13 H 1 0.871 0.020 . 2 . . . A 82 VAL HG13 . 25109 1 1037 . 1 1 84 84 VAL HG21 H 1 0.815 0.020 . 2 . . . A 82 VAL HG21 . 25109 1 1038 . 1 1 84 84 VAL HG22 H 1 0.815 0.020 . 2 . . . A 82 VAL HG22 . 25109 1 1039 . 1 1 84 84 VAL HG23 H 1 0.815 0.020 . 2 . . . A 82 VAL HG23 . 25109 1 1040 . 1 1 84 84 VAL CA C 13 66.710 0.3 . 1 . . . A 82 VAL CA . 25109 1 1041 . 1 1 84 84 VAL CB C 13 31.948 0.3 . 1 . . . A 82 VAL CB . 25109 1 1042 . 1 1 84 84 VAL CG1 C 13 22.187 0.3 . 1 . . . A 82 VAL CG1 . 25109 1 1043 . 1 1 84 84 VAL CG2 C 13 21.458 0.3 . 1 . . . A 82 VAL CG2 . 25109 1 1044 . 1 1 84 84 VAL N N 15 118.320 0.3 . 1 . . . A 82 VAL N . 25109 1 1045 . 1 1 85 85 ASP H H 1 8.385 0.020 . 1 . . . A 83 ASP H . 25109 1 1046 . 1 1 85 85 ASP HA H 1 4.332 0.020 . 1 . . . A 83 ASP HA . 25109 1 1047 . 1 1 85 85 ASP HB2 H 1 2.774 0.020 . 1 . . . A 83 ASP HB2 . 25109 1 1048 . 1 1 85 85 ASP HB3 H 1 2.774 0.020 . 1 . . . A 83 ASP HB3 . 25109 1 1049 . 1 1 85 85 ASP C C 13 178.674 0.3 . 1 . . . A 83 ASP C . 25109 1 1050 . 1 1 85 85 ASP CA C 13 56.443 0.3 . 1 . . . A 83 ASP CA . 25109 1 1051 . 1 1 85 85 ASP CB C 13 36.829 0.3 . 1 . . . A 83 ASP CB . 25109 1 1052 . 1 1 85 85 ASP N N 15 118.733 0.3 . 1 . . . A 83 ASP N . 25109 1 1053 . 1 1 86 86 LEU H H 1 7.770 0.020 . 1 . . . A 84 LEU H . 25109 1 1054 . 1 1 86 86 LEU HA H 1 3.979 0.020 . 1 . . . A 84 LEU HA . 25109 1 1055 . 1 1 86 86 LEU HB2 H 1 1.593 0.020 . 2 . . . A 84 LEU HB2 . 25109 1 1056 . 1 1 86 86 LEU HB3 H 1 1.316 0.020 . 2 . . . A 84 LEU HB3 . 25109 1 1057 . 1 1 86 86 LEU HG H 1 1.447 0.020 . 1 . . . A 84 LEU HG . 25109 1 1058 . 1 1 86 86 LEU HD11 H 1 0.586 0.020 . 2 . . . A 84 LEU HD11 . 25109 1 1059 . 1 1 86 86 LEU HD12 H 1 0.586 0.020 . 2 . . . A 84 LEU HD12 . 25109 1 1060 . 1 1 86 86 LEU HD13 H 1 0.586 0.020 . 2 . . . A 84 LEU HD13 . 25109 1 1061 . 1 1 86 86 LEU HD21 H 1 0.325 0.020 . 2 . . . A 84 LEU HD21 . 25109 1 1062 . 1 1 86 86 LEU HD22 H 1 0.325 0.020 . 2 . . . A 84 LEU HD22 . 25109 1 1063 . 1 1 86 86 LEU HD23 H 1 0.325 0.020 . 2 . . . A 84 LEU HD23 . 25109 1 1064 . 1 1 86 86 LEU C C 13 178.796 0.3 . 1 . . . A 84 LEU C . 25109 1 1065 . 1 1 86 86 LEU CA C 13 57.522 0.3 . 1 . . . A 84 LEU CA . 25109 1 1066 . 1 1 86 86 LEU CB C 13 42.495 0.3 . 1 . . . A 84 LEU CB . 25109 1 1067 . 1 1 86 86 LEU CG C 13 26.713 0.3 . 1 . . . A 84 LEU CG . 25109 1 1068 . 1 1 86 86 LEU CD1 C 13 24.956 0.3 . 1 . . . A 84 LEU CD1 . 25109 1 1069 . 1 1 86 86 LEU CD2 C 13 22.629 0.3 . 1 . . . A 84 LEU CD2 . 25109 1 1070 . 1 1 86 86 LEU N N 15 121.026 0.3 . 1 . . . A 84 LEU N . 25109 1 1071 . 1 1 87 87 ALA H H 1 8.126 0.020 . 1 . . . A 85 ALA H . 25109 1 1072 . 1 1 87 87 ALA HA H 1 3.661 0.020 . 1 . . . A 85 ALA HA . 25109 1 1073 . 1 1 87 87 ALA HB1 H 1 1.328 0.020 . 1 . . . A 85 ALA HB1 . 25109 1 1074 . 1 1 87 87 ALA HB2 H 1 1.328 0.020 . 1 . . . A 85 ALA HB2 . 25109 1 1075 . 1 1 87 87 ALA HB3 H 1 1.328 0.020 . 1 . . . A 85 ALA HB3 . 25109 1 1076 . 1 1 87 87 ALA C C 13 179.322 0.3 . 1 . . . A 85 ALA C . 25109 1 1077 . 1 1 87 87 ALA CA C 13 55.841 0.3 . 1 . . . A 85 ALA CA . 25109 1 1078 . 1 1 87 87 ALA CB C 13 18.927 0.3 . 1 . . . A 85 ALA CB . 25109 1 1079 . 1 1 87 87 ALA N N 15 121.525 0.3 . 1 . . . A 85 ALA N . 25109 1 1080 . 1 1 88 88 ASP H H 1 8.410 0.020 . 1 . . . A 86 ASP H . 25109 1 1081 . 1 1 88 88 ASP HA H 1 4.273 0.020 . 1 . . . A 86 ASP HA . 25109 1 1082 . 1 1 88 88 ASP HB2 H 1 2.981 0.020 . 2 . . . A 86 ASP HB2 . 25109 1 1083 . 1 1 88 88 ASP HB3 H 1 2.850 0.020 . 2 . . . A 86 ASP HB3 . 25109 1 1084 . 1 1 88 88 ASP C C 13 178.463 0.3 . 1 . . . A 86 ASP C . 25109 1 1085 . 1 1 88 88 ASP CA C 13 55.711 0.3 . 1 . . . A 86 ASP CA . 25109 1 1086 . 1 1 88 88 ASP CB C 13 37.162 0.3 . 1 . . . A 86 ASP CB . 25109 1 1087 . 1 1 88 88 ASP N N 15 115.349 0.3 . 1 . . . A 86 ASP N . 25109 1 1088 . 1 1 89 89 GLU H H 1 8.012 0.020 . 1 . . . A 87 GLU H . 25109 1 1089 . 1 1 89 89 GLU HA H 1 4.036 0.020 . 1 . . . A 87 GLU HA . 25109 1 1090 . 1 1 89 89 GLU HB2 H 1 2.310 0.020 . 2 . . . A 87 GLU HB2 . 25109 1 1091 . 1 1 89 89 GLU HB3 H 1 2.265 0.020 . 2 . . . A 87 GLU HB3 . 25109 1 1092 . 1 1 89 89 GLU HG2 H 1 2.579 0.020 . 2 . . . A 87 GLU HG2 . 25109 1 1093 . 1 1 89 89 GLU HG3 H 1 2.332 0.020 . 2 . . . A 87 GLU HG3 . 25109 1 1094 . 1 1 89 89 GLU C C 13 178.508 0.3 . 1 . . . A 87 GLU C . 25109 1 1095 . 1 1 89 89 GLU CA C 13 59.354 0.3 . 1 . . . A 87 GLU CA . 25109 1 1096 . 1 1 89 89 GLU CB C 13 28.273 0.3 . 1 . . . A 87 GLU CB . 25109 1 1097 . 1 1 89 89 GLU CG C 13 33.407 0.3 . 1 . . . A 87 GLU CG . 25109 1 1098 . 1 1 89 89 GLU N N 15 122.529 0.3 . 1 . . . A 87 GLU N . 25109 1 1099 . 1 1 90 90 VAL H H 1 8.291 0.020 . 1 . . . A 88 VAL H . 25109 1 1100 . 1 1 90 90 VAL HA H 1 3.330 0.020 . 1 . . . A 88 VAL HA . 25109 1 1101 . 1 1 90 90 VAL HB H 1 2.002 0.020 . 1 . . . A 88 VAL HB . 25109 1 1102 . 1 1 90 90 VAL HG11 H 1 1.251 0.020 . 2 . . . A 88 VAL HG11 . 25109 1 1103 . 1 1 90 90 VAL HG12 H 1 1.251 0.020 . 2 . . . A 88 VAL HG12 . 25109 1 1104 . 1 1 90 90 VAL HG13 H 1 1.251 0.020 . 2 . . . A 88 VAL HG13 . 25109 1 1105 . 1 1 90 90 VAL HG21 H 1 0.806 0.020 . 2 . . . A 88 VAL HG21 . 25109 1 1106 . 1 1 90 90 VAL HG22 H 1 0.806 0.020 . 2 . . . A 88 VAL HG22 . 25109 1 1107 . 1 1 90 90 VAL HG23 H 1 0.806 0.020 . 2 . . . A 88 VAL HG23 . 25109 1 1108 . 1 1 90 90 VAL C C 13 177.240 0.3 . 1 . . . A 88 VAL C . 25109 1 1109 . 1 1 90 90 VAL CA C 13 67.249 0.3 . 1 . . . A 88 VAL CA . 25109 1 1110 . 1 1 90 90 VAL CB C 13 31.529 0.3 . 1 . . . A 88 VAL CB . 25109 1 1111 . 1 1 90 90 VAL CG1 C 13 24.295 0.3 . 1 . . . A 88 VAL CG1 . 25109 1 1112 . 1 1 90 90 VAL CG2 C 13 22.194 0.3 . 1 . . . A 88 VAL CG2 . 25109 1 1113 . 1 1 90 90 VAL N N 15 119.148 0.3 . 1 . . . A 88 VAL N . 25109 1 1114 . 1 1 91 91 ALA H H 1 8.548 0.020 . 1 . . . A 89 ALA H . 25109 1 1115 . 1 1 91 91 ALA HA H 1 3.915 0.020 . 1 . . . A 89 ALA HA . 25109 1 1116 . 1 1 91 91 ALA HB1 H 1 1.426 0.020 . 1 . . . A 89 ALA HB1 . 25109 1 1117 . 1 1 91 91 ALA HB2 H 1 1.426 0.020 . 1 . . . A 89 ALA HB2 . 25109 1 1118 . 1 1 91 91 ALA HB3 H 1 1.426 0.020 . 1 . . . A 89 ALA HB3 . 25109 1 1119 . 1 1 91 91 ALA C C 13 180.186 0.3 . 1 . . . A 89 ALA C . 25109 1 1120 . 1 1 91 91 ALA CA C 13 56.059 0.3 . 1 . . . A 89 ALA CA . 25109 1 1121 . 1 1 91 91 ALA CB C 13 18.235 0.3 . 1 . . . A 89 ALA CB . 25109 1 1122 . 1 1 91 91 ALA N N 15 120.709 0.3 . 1 . . . A 89 ALA N . 25109 1 1123 . 1 1 92 92 SER H H 1 7.969 0.020 . 1 . . . A 90 SER H . 25109 1 1124 . 1 1 92 92 SER HA H 1 4.047 0.020 . 1 . . . A 90 SER HA . 25109 1 1125 . 1 1 92 92 SER HB2 H 1 3.861 0.020 . 1 . . . A 90 SER HB2 . 25109 1 1126 . 1 1 92 92 SER HB3 H 1 3.861 0.020 . 1 . . . A 90 SER HB3 . 25109 1 1127 . 1 1 92 92 SER C C 13 177.564 0.3 . 1 . . . A 90 SER C . 25109 1 1128 . 1 1 92 92 SER CA C 13 61.771 0.3 . 1 . . . A 90 SER CA . 25109 1 1129 . 1 1 92 92 SER CB C 13 62.907 0.3 . 1 . . . A 90 SER CB . 25109 1 1130 . 1 1 92 92 SER N N 15 113.035 0.3 . 1 . . . A 90 SER N . 25109 1 1131 . 1 1 93 93 VAL H H 1 7.713 0.020 . 1 . . . A 91 VAL H . 25109 1 1132 . 1 1 93 93 VAL HA H 1 3.347 0.020 . 1 . . . A 91 VAL HA . 25109 1 1133 . 1 1 93 93 VAL HB H 1 1.692 0.020 . 1 . . . A 91 VAL HB . 25109 1 1134 . 1 1 93 93 VAL HG11 H 1 0.575 0.020 . 2 . . . A 91 VAL HG11 . 25109 1 1135 . 1 1 93 93 VAL HG12 H 1 0.575 0.020 . 2 . . . A 91 VAL HG12 . 25109 1 1136 . 1 1 93 93 VAL HG13 H 1 0.575 0.020 . 2 . . . A 91 VAL HG13 . 25109 1 1137 . 1 1 93 93 VAL HG21 H 1 0.247 0.020 . 2 . . . A 91 VAL HG21 . 25109 1 1138 . 1 1 93 93 VAL HG22 H 1 0.247 0.020 . 2 . . . A 91 VAL HG22 . 25109 1 1139 . 1 1 93 93 VAL HG23 H 1 0.247 0.020 . 2 . . . A 91 VAL HG23 . 25109 1 1140 . 1 1 93 93 VAL C C 13 178.428 0.3 . 1 . . . A 91 VAL C . 25109 1 1141 . 1 1 93 93 VAL CA C 13 66.129 0.3 . 1 . . . A 91 VAL CA . 25109 1 1142 . 1 1 93 93 VAL CB C 13 31.771 0.3 . 1 . . . A 91 VAL CB . 25109 1 1143 . 1 1 93 93 VAL CG1 C 13 21.010 0.3 . 1 . . . A 91 VAL CG1 . 25109 1 1144 . 1 1 93 93 VAL CG2 C 13 21.369 0.3 . 1 . . . A 91 VAL CG2 . 25109 1 1145 . 1 1 93 93 VAL N N 15 123.417 0.3 . 1 . . . A 91 VAL N . 25109 1 1146 . 1 1 94 94 TYR H H 1 8.395 0.020 . 1 . . . A 92 TYR H . 25109 1 1147 . 1 1 94 94 TYR HA H 1 4.191 0.020 . 1 . . . A 92 TYR HA . 25109 1 1148 . 1 1 94 94 TYR HB2 H 1 3.032 0.020 . 2 . . . A 92 TYR HB2 . 25109 1 1149 . 1 1 94 94 TYR HB3 H 1 2.778 0.020 . 2 . . . A 92 TYR HB3 . 25109 1 1150 . 1 1 94 94 TYR HD1 H 1 6.872 0.020 . 1 . . . A 92 TYR HD1 . 25109 1 1151 . 1 1 94 94 TYR HD2 H 1 6.872 0.020 . 1 . . . A 92 TYR HD2 . 25109 1 1152 . 1 1 94 94 TYR HE1 H 1 6.507 0.020 . 1 . . . A 92 TYR HE1 . 25109 1 1153 . 1 1 94 94 TYR HE2 H 1 6.507 0.020 . 1 . . . A 92 TYR HE2 . 25109 1 1154 . 1 1 94 94 TYR CA C 13 60.994 0.3 . 1 . . . A 92 TYR CA . 25109 1 1155 . 1 1 94 94 TYR CB C 13 38.985 0.3 . 1 . . . A 92 TYR CB . 25109 1 1156 . 1 1 94 94 TYR CD1 C 13 133.198 0.3 . 1 . . . A 92 TYR CD1 . 25109 1 1157 . 1 1 94 94 TYR CD2 C 13 133.198 0.3 . 1 . . . A 92 TYR CD2 . 25109 1 1158 . 1 1 94 94 TYR CE1 C 13 118.377 0.3 . 1 . . . A 92 TYR CE1 . 25109 1 1159 . 1 1 94 94 TYR CE2 C 13 118.377 0.3 . 1 . . . A 92 TYR CE2 . 25109 1 1160 . 1 1 94 94 TYR N N 15 121.458 0.3 . 1 . . . A 92 TYR N . 25109 1 1161 . 1 1 95 95 GLN H H 1 8.167 0.020 . 1 . . . A 93 GLN H . 25109 1 1162 . 1 1 95 95 GLN HA H 1 3.711 0.020 . 1 . . . A 93 GLN HA . 25109 1 1163 . 1 1 95 95 GLN HB2 H 1 2.009 0.020 . 1 . . . A 93 GLN HB2 . 25109 1 1164 . 1 1 95 95 GLN HB3 H 1 2.009 0.020 . 1 . . . A 93 GLN HB3 . 25109 1 1165 . 1 1 95 95 GLN HG2 H 1 2.341 0.020 . 1 . . . A 93 GLN HG2 . 25109 1 1166 . 1 1 95 95 GLN HG3 H 1 2.341 0.020 . 1 . . . A 93 GLN HG3 . 25109 1 1167 . 1 1 95 95 GLN HE21 H 1 7.312 0.020 . 1 . . . A 93 GLN HE21 . 25109 1 1168 . 1 1 95 95 GLN HE22 H 1 6.733 0.020 . 1 . . . A 93 GLN HE22 . 25109 1 1169 . 1 1 95 95 GLN CA C 13 58.094 0.3 . 1 . . . A 93 GLN CA . 25109 1 1170 . 1 1 95 95 GLN CB C 13 28.298 0.3 . 1 . . . A 93 GLN CB . 25109 1 1171 . 1 1 95 95 GLN CG C 13 34.164 0.3 . 1 . . . A 93 GLN CG . 25109 1 1172 . 1 1 95 95 GLN N N 15 115.549 0.3 . 1 . . . A 93 GLN N . 25109 1 1173 . 1 1 95 95 GLN NE2 N 15 111.557 0.3 . 1 . . . A 93 GLN NE2 . 25109 1 1174 . 1 1 96 96 SER H H 1 7.642 0.020 . 1 . . . A 94 SER H . 25109 1 1175 . 1 1 96 96 SER HA H 1 4.096 0.020 . 1 . . . A 94 SER HA . 25109 1 1176 . 1 1 96 96 SER HB2 H 1 3.747 0.020 . 2 . . . A 94 SER HB2 . 25109 1 1177 . 1 1 96 96 SER HB3 H 1 3.673 0.020 . 2 . . . A 94 SER HB3 . 25109 1 1178 . 1 1 96 96 SER CA C 13 60.971 0.3 . 1 . . . A 94 SER CA . 25109 1 1179 . 1 1 96 96 SER CB C 13 62.635 0.3 . 1 . . . A 94 SER CB . 25109 1 1180 . 1 1 96 96 SER N N 15 115.923 0.3 . 1 . . . A 94 SER N . 25109 1 1181 . 1 1 97 97 TYR H H 1 7.069 0.020 . 1 . . . A 95 TYR H . 25109 1 1182 . 1 1 97 97 TYR HA H 1 4.759 0.020 . 1 . . . A 95 TYR HA . 25109 1 1183 . 1 1 97 97 TYR HB2 H 1 3.300 0.020 . 2 . . . A 95 TYR HB2 . 25109 1 1184 . 1 1 97 97 TYR HB3 H 1 2.603 0.020 . 2 . . . A 95 TYR HB3 . 25109 1 1185 . 1 1 97 97 TYR HD1 H 1 7.081 0.020 . 1 . . . A 95 TYR HD1 . 25109 1 1186 . 1 1 97 97 TYR HD2 H 1 7.081 0.020 . 1 . . . A 95 TYR HD2 . 25109 1 1187 . 1 1 97 97 TYR HE1 H 1 6.574 0.020 . 1 . . . A 95 TYR HE1 . 25109 1 1188 . 1 1 97 97 TYR HE2 H 1 6.574 0.020 . 1 . . . A 95 TYR HE2 . 25109 1 1189 . 1 1 97 97 TYR C C 13 175.334 0.3 . 1 . . . A 95 TYR C . 25109 1 1190 . 1 1 97 97 TYR CA C 13 57.698 0.3 . 1 . . . A 95 TYR CA . 25109 1 1191 . 1 1 97 97 TYR CB C 13 39.319 0.3 . 1 . . . A 95 TYR CB . 25109 1 1192 . 1 1 97 97 TYR CD1 C 13 133.294 0.3 . 1 . . . A 95 TYR CD1 . 25109 1 1193 . 1 1 97 97 TYR CD2 C 13 133.294 0.3 . 1 . . . A 95 TYR CD2 . 25109 1 1194 . 1 1 97 97 TYR CE1 C 13 118.728 0.3 . 1 . . . A 95 TYR CE1 . 25109 1 1195 . 1 1 97 97 TYR CE2 C 13 118.728 0.3 . 1 . . . A 95 TYR CE2 . 25109 1 1196 . 1 1 97 97 TYR N N 15 119.565 0.3 . 1 . . . A 95 TYR N . 25109 1 1197 . 1 1 98 98 GLN H H 1 7.409 0.020 . 1 . . . A 96 GLN H . 25109 1 1198 . 1 1 98 98 GLN HA H 1 4.365 0.020 . 1 . . . A 96 GLN HA . 25109 1 1199 . 1 1 98 98 GLN HB2 H 1 1.914 0.020 . 2 . . . A 96 GLN HB2 . 25109 1 1200 . 1 1 98 98 GLN HB3 H 1 1.777 0.020 . 2 . . . A 96 GLN HB3 . 25109 1 1201 . 1 1 98 98 GLN HG2 H 1 2.098 0.020 . 1 . . . A 96 GLN HG2 . 25109 1 1202 . 1 1 98 98 GLN HG3 H 1 2.098 0.020 . 1 . . . A 96 GLN HG3 . 25109 1 1203 . 1 1 98 98 GLN HE21 H 1 6.153 0.020 . 1 . . . A 96 GLN HE21 . 25109 1 1204 . 1 1 98 98 GLN HE22 H 1 6.039 0.020 . 1 . . . A 96 GLN HE22 . 25109 1 1205 . 1 1 98 98 GLN C C 13 173.612 0.3 . 1 . . . A 96 GLN C . 25109 1 1206 . 1 1 98 98 GLN CA C 13 54.336 0.3 . 1 . . . A 96 GLN CA . 25109 1 1207 . 1 1 98 98 GLN CB C 13 28.494 0.3 . 1 . . . A 96 GLN CB . 25109 1 1208 . 1 1 98 98 GLN CG C 13 33.589 0.3 . 1 . . . A 96 GLN CG . 25109 1 1209 . 1 1 98 98 GLN N N 15 119.872 0.3 . 1 . . . A 96 GLN N . 25109 1 1210 . 1 1 98 98 GLN NE2 N 15 110.481 0.3 . 1 . . . A 96 GLN NE2 . 25109 1 1211 . 1 1 99 99 PRO HA H 1 4.318 0.020 . 1 . . . A 97 PRO HA . 25109 1 1212 . 1 1 99 99 PRO HB2 H 1 2.143 0.020 . 2 . . . A 97 PRO HB2 . 25109 1 1213 . 1 1 99 99 PRO HB3 H 1 1.802 0.020 . 2 . . . A 97 PRO HB3 . 25109 1 1214 . 1 1 99 99 PRO HG2 H 1 1.923 0.020 . 2 . . . A 97 PRO HG2 . 25109 1 1215 . 1 1 99 99 PRO HG3 H 1 1.816 0.020 . 2 . . . A 97 PRO HG3 . 25109 1 1216 . 1 1 99 99 PRO HD2 H 1 3.660 0.020 . 2 . . . A 97 PRO HD2 . 25109 1 1217 . 1 1 99 99 PRO HD3 H 1 3.540 0.020 . 2 . . . A 97 PRO HD3 . 25109 1 1218 . 1 1 99 99 PRO CA C 13 63.014 0.3 . 1 . . . A 97 PRO CA . 25109 1 1219 . 1 1 99 99 PRO CB C 13 32.098 0.3 . 1 . . . A 97 PRO CB . 25109 1 1220 . 1 1 99 99 PRO CG C 13 27.544 0.3 . 1 . . . A 97 PRO CG . 25109 1 1221 . 1 1 99 99 PRO CD C 13 50.768 0.3 . 1 . . . A 97 PRO CD . 25109 1 1222 . 1 1 100 100 ARG H H 1 8.423 0.020 . 1 . . . A 98 ARG H . 25109 1 1223 . 1 1 100 100 ARG HA H 1 4.342 0.020 . 1 . . . A 98 ARG HA . 25109 1 1224 . 1 1 100 100 ARG HB2 H 1 1.810 0.020 . 2 . . . A 98 ARG HB2 . 25109 1 1225 . 1 1 100 100 ARG HB3 H 1 1.710 0.020 . 2 . . . A 98 ARG HB3 . 25109 1 1226 . 1 1 100 100 ARG HG2 H 1 1.579 0.020 . 1 . . . A 98 ARG HG2 . 25109 1 1227 . 1 1 100 100 ARG HG3 H 1 1.579 0.020 . 1 . . . A 98 ARG HG3 . 25109 1 1228 . 1 1 100 100 ARG HD2 H 1 3.122 0.020 . 1 . . . A 98 ARG HD2 . 25109 1 1229 . 1 1 100 100 ARG HD3 H 1 3.122 0.020 . 1 . . . A 98 ARG HD3 . 25109 1 1230 . 1 1 100 100 ARG HE H 1 7.071 0.020 . 1 . . . A 98 ARG HE . 25109 1 1231 . 1 1 100 100 ARG C C 13 176.848 0.3 . 1 . . . A 98 ARG C . 25109 1 1232 . 1 1 100 100 ARG CA C 13 56.221 0.3 . 1 . . . A 98 ARG CA . 25109 1 1233 . 1 1 100 100 ARG CB C 13 31.087 0.3 . 1 . . . A 98 ARG CB . 25109 1 1234 . 1 1 100 100 ARG CG C 13 27.308 0.3 . 1 . . . A 98 ARG CG . 25109 1 1235 . 1 1 100 100 ARG CD C 13 43.470 0.3 . 1 . . . A 98 ARG CD . 25109 1 1236 . 1 1 100 100 ARG N N 15 121.759 0.3 . 1 . . . A 98 ARG N . 25109 1 1237 . 1 1 100 100 ARG NE N 15 84.708 0.3 . 1 . . . A 98 ARG NE . 25109 1 1238 . 1 1 101 101 THR H H 1 8.179 0.020 . 1 . . . A 99 THR H . 25109 1 1239 . 1 1 101 101 THR HA H 1 4.323 0.020 . 1 . . . A 99 THR HA . 25109 1 1240 . 1 1 101 101 THR HB H 1 4.176 0.020 . 1 . . . A 99 THR HB . 25109 1 1241 . 1 1 101 101 THR HG21 H 1 1.135 0.020 . 1 . . . A 99 THR HG21 . 25109 1 1242 . 1 1 101 101 THR HG22 H 1 1.135 0.020 . 1 . . . A 99 THR HG22 . 25109 1 1243 . 1 1 101 101 THR HG23 H 1 1.135 0.020 . 1 . . . A 99 THR HG23 . 25109 1 1244 . 1 1 101 101 THR C C 13 174.350 0.3 . 1 . . . A 99 THR C . 25109 1 1245 . 1 1 101 101 THR CA C 13 61.906 0.3 . 1 . . . A 99 THR CA . 25109 1 1246 . 1 1 101 101 THR CB C 13 70.180 0.3 . 1 . . . A 99 THR CB . 25109 1 1247 . 1 1 101 101 THR CG2 C 13 21.727 0.3 . 1 . . . A 99 THR CG2 . 25109 1 1248 . 1 1 101 101 THR N N 15 115.292 0.3 . 1 . . . A 99 THR N . 25109 1 1249 . 1 1 102 102 SER H H 1 8.170 0.020 . 1 . . . A 100 SER H . 25109 1 1250 . 1 1 102 102 SER HA H 1 4.375 0.020 . 1 . . . A 100 SER HA . 25109 1 1251 . 1 1 102 102 SER HB2 H 1 3.859 0.020 . 2 . . . A 100 SER HB2 . 25109 1 1252 . 1 1 102 102 SER HB3 H 1 3.794 0.020 . 2 . . . A 100 SER HB3 . 25109 1 1253 . 1 1 102 102 SER C C 13 177.022 0.3 . 1 . . . A 100 SER C . 25109 1 1254 . 1 1 102 102 SER CA C 13 58.509 0.3 . 1 . . . A 100 SER CA . 25109 1 1255 . 1 1 102 102 SER CB C 13 64.332 0.3 . 1 . . . A 100 SER CB . 25109 1 1256 . 1 1 102 102 SER N N 15 119.949 0.3 . 1 . . . A 100 SER N . 25109 1 stop_ save_