data_25638 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25638 _Entry.Title ; NMR solution structure of a C-terminal domain of the chromodomain helicase DNA-binding protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-26 _Entry.Accession_date 2015-05-26 _Entry.Last_release_date 2016-05-31 _Entry.Original_release_date 2016-05-31 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Biswaranjan Mohanty . . . . 25638 2 Ana Silva . P.G. . . 25638 3 Joel Mackay . P. . . 25638 4 Daniel Ryan . P. . . 25638 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' . 25638 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'C-terminal domain' . 25638 CHD1 . 25638 'chromatin remodelling' . 25638 nucleosomes . 25638 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25638 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 467 25638 '15N chemical shifts' 111 25638 '1H chemical shifts' 747 25638 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-08-19 2015-05-26 update BMRB 'update entry citation' 25638 1 . . 2016-05-31 2015-05-26 original author 'original release' 25638 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N39 'BMRB Entry Tracking System' 25638 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25638 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26286320 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments of a C-terminal domain of human CHD1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 31 _Citation.Page_last 34 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Biswaranjan Mohanty . . . . 25638 1 2 Ana Silva . P.G. . . 25638 1 3 Joel Mackay . P. . . 25638 1 4 Daniel Ryan . P. . . 25638 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25638 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of the chromodomain helicase DNA-binding protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25638 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25638 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSLDQKTFSICKERMRP VKAALKQLDRPEKGLSEREQ LEHTRQCLIKIGDHITECLK EYTNPEQIKQWRKNLWIFVS KFTEFDARKLHKLYKHAIKK RQESQQNS ; _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 108 _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 12905.072 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25638 1 2 2 PRO . 25638 1 3 3 LEU . 25638 1 4 4 GLY . 25638 1 5 5 SER . 25638 1 6 6 LEU . 25638 1 7 7 ASP . 25638 1 8 8 GLN . 25638 1 9 9 LYS . 25638 1 10 10 THR . 25638 1 11 11 PHE . 25638 1 12 12 SER . 25638 1 13 13 ILE . 25638 1 14 14 CYS . 25638 1 15 15 LYS . 25638 1 16 16 GLU . 25638 1 17 17 ARG . 25638 1 18 18 MET . 25638 1 19 19 ARG . 25638 1 20 20 PRO . 25638 1 21 21 VAL . 25638 1 22 22 LYS . 25638 1 23 23 ALA . 25638 1 24 24 ALA . 25638 1 25 25 LEU . 25638 1 26 26 LYS . 25638 1 27 27 GLN . 25638 1 28 28 LEU . 25638 1 29 29 ASP . 25638 1 30 30 ARG . 25638 1 31 31 PRO . 25638 1 32 32 GLU . 25638 1 33 33 LYS . 25638 1 34 34 GLY . 25638 1 35 35 LEU . 25638 1 36 36 SER . 25638 1 37 37 GLU . 25638 1 38 38 ARG . 25638 1 39 39 GLU . 25638 1 40 40 GLN . 25638 1 41 41 LEU . 25638 1 42 42 GLU . 25638 1 43 43 HIS . 25638 1 44 44 THR . 25638 1 45 45 ARG . 25638 1 46 46 GLN . 25638 1 47 47 CYS . 25638 1 48 48 LEU . 25638 1 49 49 ILE . 25638 1 50 50 LYS . 25638 1 51 51 ILE . 25638 1 52 52 GLY . 25638 1 53 53 ASP . 25638 1 54 54 HIS . 25638 1 55 55 ILE . 25638 1 56 56 THR . 25638 1 57 57 GLU . 25638 1 58 58 CYS . 25638 1 59 59 LEU . 25638 1 60 60 LYS . 25638 1 61 61 GLU . 25638 1 62 62 TYR . 25638 1 63 63 THR . 25638 1 64 64 ASN . 25638 1 65 65 PRO . 25638 1 66 66 GLU . 25638 1 67 67 GLN . 25638 1 68 68 ILE . 25638 1 69 69 LYS . 25638 1 70 70 GLN . 25638 1 71 71 TRP . 25638 1 72 72 ARG . 25638 1 73 73 LYS . 25638 1 74 74 ASN . 25638 1 75 75 LEU . 25638 1 76 76 TRP . 25638 1 77 77 ILE . 25638 1 78 78 PHE . 25638 1 79 79 VAL . 25638 1 80 80 SER . 25638 1 81 81 LYS . 25638 1 82 82 PHE . 25638 1 83 83 THR . 25638 1 84 84 GLU . 25638 1 85 85 PHE . 25638 1 86 86 ASP . 25638 1 87 87 ALA . 25638 1 88 88 ARG . 25638 1 89 89 LYS . 25638 1 90 90 LEU . 25638 1 91 91 HIS . 25638 1 92 92 LYS . 25638 1 93 93 LEU . 25638 1 94 94 TYR . 25638 1 95 95 LYS . 25638 1 96 96 HIS . 25638 1 97 97 ALA . 25638 1 98 98 ILE . 25638 1 99 99 LYS . 25638 1 100 100 LYS . 25638 1 101 101 ARG . 25638 1 102 102 GLN . 25638 1 103 103 GLU . 25638 1 104 104 SER . 25638 1 105 105 GLN . 25638 1 106 106 GLN . 25638 1 107 107 ASN . 25638 1 108 108 SER . 25638 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 25638 1 . PRO 2 2 25638 1 . LEU 3 3 25638 1 . GLY 4 4 25638 1 . SER 5 5 25638 1 . LEU 6 6 25638 1 . ASP 7 7 25638 1 . GLN 8 8 25638 1 . LYS 9 9 25638 1 . THR 10 10 25638 1 . PHE 11 11 25638 1 . SER 12 12 25638 1 . ILE 13 13 25638 1 . CYS 14 14 25638 1 . LYS 15 15 25638 1 . GLU 16 16 25638 1 . ARG 17 17 25638 1 . MET 18 18 25638 1 . ARG 19 19 25638 1 . PRO 20 20 25638 1 . VAL 21 21 25638 1 . LYS 22 22 25638 1 . ALA 23 23 25638 1 . ALA 24 24 25638 1 . LEU 25 25 25638 1 . LYS 26 26 25638 1 . GLN 27 27 25638 1 . LEU 28 28 25638 1 . ASP 29 29 25638 1 . ARG 30 30 25638 1 . PRO 31 31 25638 1 . GLU 32 32 25638 1 . LYS 33 33 25638 1 . GLY 34 34 25638 1 . LEU 35 35 25638 1 . SER 36 36 25638 1 . GLU 37 37 25638 1 . ARG 38 38 25638 1 . GLU 39 39 25638 1 . GLN 40 40 25638 1 . LEU 41 41 25638 1 . GLU 42 42 25638 1 . HIS 43 43 25638 1 . THR 44 44 25638 1 . ARG 45 45 25638 1 . GLN 46 46 25638 1 . CYS 47 47 25638 1 . LEU 48 48 25638 1 . ILE 49 49 25638 1 . LYS 50 50 25638 1 . ILE 51 51 25638 1 . GLY 52 52 25638 1 . ASP 53 53 25638 1 . HIS 54 54 25638 1 . ILE 55 55 25638 1 . THR 56 56 25638 1 . GLU 57 57 25638 1 . CYS 58 58 25638 1 . LEU 59 59 25638 1 . LYS 60 60 25638 1 . GLU 61 61 25638 1 . TYR 62 62 25638 1 . THR 63 63 25638 1 . ASN 64 64 25638 1 . PRO 65 65 25638 1 . GLU 66 66 25638 1 . GLN 67 67 25638 1 . ILE 68 68 25638 1 . LYS 69 69 25638 1 . GLN 70 70 25638 1 . TRP 71 71 25638 1 . ARG 72 72 25638 1 . LYS 73 73 25638 1 . ASN 74 74 25638 1 . LEU 75 75 25638 1 . TRP 76 76 25638 1 . ILE 77 77 25638 1 . PHE 78 78 25638 1 . VAL 79 79 25638 1 . SER 80 80 25638 1 . LYS 81 81 25638 1 . PHE 82 82 25638 1 . THR 83 83 25638 1 . GLU 84 84 25638 1 . PHE 85 85 25638 1 . ASP 86 86 25638 1 . ALA 87 87 25638 1 . ARG 88 88 25638 1 . LYS 89 89 25638 1 . LEU 90 90 25638 1 . HIS 91 91 25638 1 . LYS 92 92 25638 1 . LEU 93 93 25638 1 . TYR 94 94 25638 1 . LYS 95 95 25638 1 . HIS 96 96 25638 1 . ALA 97 97 25638 1 . ILE 98 98 25638 1 . LYS 99 99 25638 1 . LYS 100 100 25638 1 . ARG 101 101 25638 1 . GLN 102 102 25638 1 . GLU 103 103 25638 1 . SER 104 104 25638 1 . GLN 105 105 25638 1 . GLN 106 106 25638 1 . ASN 107 107 25638 1 . SER 108 108 25638 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 25638 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25638 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 25638 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-6P . . . 25638 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25638 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 440 uM protein (CHD1-C) 20 mM Sodium phosphate pH 6.5 10 mM NaCl 1 mM DTT 0.3 % Sodium Azide 0.3 % DSS 0.1% 1Xprotease inhibitor ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CHD1-C '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 440 . . uM . . . . 25638 1 2 'Sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25638 1 3 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 25638 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25638 1 5 'Sodium Azide' 'natural abundance' . . . . . . 0.3 . . % . . . . 25638 1 6 DSS 'natural abundance' . . . . . . 0.3 . . % . . . . 25638 1 7 '1X protease inhibitor' 'natural abundance' . . . . . . 0.1 . . % . . . . 25638 1 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25638 1 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25638 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 25638 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 440 uM protein (CHD1-C) 20 mM Sodium phosphate pH 6.5 10 mM NaCl 1 mM DTT 0.3 % Sodium Azide 0.2 mM DSS ; 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' 10 . mM 25638 1 pH 6.5 . pH 25638 1 pressure 1 . atm 25638 1 temperature 298 . K 25638 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25638 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25638 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 25638 1 processing 25638 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25638 _Software.ID 2 _Software.Name CARA _Software.Version 1.5.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25638 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25638 2 'peak picking' 25638 2 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 25638 _Software.ID 3 _Software.Name UNIO _Software.Version 2.0.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 25638 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NOE assignment' 25638 3 'structure solution' 25638 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25638 _Software.ID 4 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25638 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 25638 4 stop_ save_ save_OPALp _Software.Sf_category software _Software.Sf_framecode OPALp _Software.Entry_ID 25638 _Software.ID 5 _Software.Name OPALp _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi,Billeter and Guntert' . . 25638 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Water refinement' 25638 5 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 25638 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25638 _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 . 800 . . . 25638 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 25638 _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 . . . . . . . . . . . . . . . . 25638 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25638 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25638 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25638 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25638 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25638 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25638 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25638 1 9 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25638 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25638 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25638 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25638 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 25638 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25638 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25638 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25638 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25638 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 25638 1 2 '2D 1H-13C HSQC aliphatic' . . . 25638 1 3 '2D DQF-COSY' . . . 25638 1 4 '2D 1H-1H TOCSY' . . . 25638 1 5 '2D 1H-1H NOESY' . . . 25638 1 6 '3D CBCA(CO)NH' . . . 25638 1 7 '3D HNCACB' . . . 25638 1 8 '3D HNCO' . . . 25638 1 9 '3D HN(CA)CO' . . . 25638 1 10 '3D 1H-15N NOESY' . . . 25638 1 11 '3D 1H-13C NOESY aliphatic' . . . 25638 1 12 '3D 1H-13C NOESY aromatic' . . . 25638 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 25638 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.445 0.02 . 1 . . . A 2 PRO HA . 25638 1 2 . 1 1 2 2 PRO HB2 H 1 2.309 0.02 . 2 . . . A 2 PRO HB2 . 25638 1 3 . 1 1 2 2 PRO HB3 H 1 2.309 0.02 . 2 . . . A 2 PRO HB3 . 25638 1 4 . 1 1 2 2 PRO HG2 H 1 1.978 0.02 . 2 . . . A 2 PRO HG2 . 25638 1 5 . 1 1 2 2 PRO HG3 H 1 1.943 0.02 . 2 . . . A 2 PRO HG3 . 25638 1 6 . 1 1 2 2 PRO HD2 H 1 3.561 0.02 . 2 . . . A 2 PRO HD2 . 25638 1 7 . 1 1 2 2 PRO HD3 H 1 3.561 0.02 . 2 . . . A 2 PRO HD3 . 25638 1 8 . 1 1 2 2 PRO C C 13 176.739 0.30 . 1 . . . A 2 PRO C . 25638 1 9 . 1 1 2 2 PRO CA C 13 63.306 0.30 . 1 . . . A 2 PRO CA . 25638 1 10 . 1 1 2 2 PRO CB C 13 32.468 0.30 . 1 . . . A 2 PRO CB . 25638 1 11 . 1 1 2 2 PRO CG C 13 27.375 0.30 . 1 . . . A 2 PRO CG . 25638 1 12 . 1 1 2 2 PRO CD C 13 50.052 0.30 . 1 . . . A 2 PRO CD . 25638 1 13 . 1 1 3 3 LEU H H 1 8.522 0.02 . 1 . . . A 3 LEU H . 25638 1 14 . 1 1 3 3 LEU HA H 1 4.297 0.02 . 1 . . . A 3 LEU HA . 25638 1 15 . 1 1 3 3 LEU HB2 H 1 1.683 0.02 . 2 . . . A 3 LEU HB2 . 25638 1 16 . 1 1 3 3 LEU HB3 H 1 1.614 0.02 . 2 . . . A 3 LEU HB3 . 25638 1 17 . 1 1 3 3 LEU HD11 H 1 0.925 0.02 . 2 . . . A 3 LEU MD1 . 25638 1 18 . 1 1 3 3 LEU HD12 H 1 0.925 0.02 . 2 . . . A 3 LEU MD1 . 25638 1 19 . 1 1 3 3 LEU HD13 H 1 0.925 0.02 . 2 . . . A 3 LEU MD1 . 25638 1 20 . 1 1 3 3 LEU HD21 H 1 0.849 0.02 . 2 . . . A 3 LEU MD2 . 25638 1 21 . 1 1 3 3 LEU HD22 H 1 0.849 0.02 . 2 . . . A 3 LEU MD2 . 25638 1 22 . 1 1 3 3 LEU HD23 H 1 0.849 0.02 . 2 . . . A 3 LEU MD2 . 25638 1 23 . 1 1 3 3 LEU C C 13 177.526 0.30 . 1 . . . A 3 LEU C . 25638 1 24 . 1 1 3 3 LEU CA C 13 55.529 0.30 . 1 . . . A 3 LEU CA . 25638 1 25 . 1 1 3 3 LEU CB C 13 42.150 0.30 . 1 . . . A 3 LEU CB . 25638 1 26 . 1 1 3 3 LEU CG C 13 26.900 0.30 . 1 . . . A 3 LEU CG . 25638 1 27 . 1 1 3 3 LEU CD1 C 13 25.124 0.30 . 2 . . . A 3 LEU CD1 . 25638 1 28 . 1 1 3 3 LEU CD2 C 13 23.739 0.30 . 2 . . . A 3 LEU CD2 . 25638 1 29 . 1 1 3 3 LEU N N 15 122.239 0.10 . 1 . . . A 3 LEU N . 25638 1 30 . 1 1 4 4 GLY H H 1 8.349 0.02 . 1 . . . A 4 GLY H . 25638 1 31 . 1 1 4 4 GLY HA2 H 1 3.945 0.02 . 2 . . . A 4 GLY HA2 . 25638 1 32 . 1 1 4 4 GLY HA3 H 1 3.945 0.02 . 2 . . . A 4 GLY HA3 . 25638 1 33 . 1 1 4 4 GLY C C 13 173.280 0.30 . 1 . . . A 4 GLY C . 25638 1 34 . 1 1 4 4 GLY CA C 13 45.333 0.30 . 1 . . . A 4 GLY CA . 25638 1 35 . 1 1 4 4 GLY N N 15 109.572 0.10 . 1 . . . A 4 GLY N . 25638 1 36 . 1 1 5 5 SER H H 1 8.119 0.02 . 1 . . . A 5 SER H . 25638 1 37 . 1 1 5 5 SER HA H 1 4.513 0.02 . 1 . . . A 5 SER HA . 25638 1 38 . 1 1 5 5 SER HB2 H 1 3.802 0.02 . 2 . . . A 5 SER HB2 . 25638 1 39 . 1 1 5 5 SER HB3 H 1 3.802 0.02 . 2 . . . A 5 SER HB3 . 25638 1 40 . 1 1 5 5 SER C C 13 173.317 0.30 . 1 . . . A 5 SER C . 25638 1 41 . 1 1 5 5 SER CA C 13 57.801 0.30 . 1 . . . A 5 SER CA . 25638 1 42 . 1 1 5 5 SER CB C 13 64.536 0.30 . 1 . . . A 5 SER CB . 25638 1 43 . 1 1 5 5 SER N N 15 115.481 0.10 . 1 . . . A 5 SER N . 25638 1 44 . 1 1 6 6 LEU H H 1 8.319 0.02 . 1 . . . A 6 LEU H . 25638 1 45 . 1 1 6 6 LEU HA H 1 4.654 0.02 . 1 . . . A 6 LEU HA . 25638 1 46 . 1 1 6 6 LEU HB2 H 1 1.474 0.02 . 2 . . . A 6 LEU HB2 . 25638 1 47 . 1 1 6 6 LEU HB3 H 1 1.894 0.02 . 2 . . . A 6 LEU HB3 . 25638 1 48 . 1 1 6 6 LEU HG H 1 1.790 0.02 . 1 . . . A 6 LEU HG . 25638 1 49 . 1 1 6 6 LEU HD11 H 1 0.895 0.02 . 2 . . . A 6 LEU MD1 . 25638 1 50 . 1 1 6 6 LEU HD12 H 1 0.895 0.02 . 2 . . . A 6 LEU MD1 . 25638 1 51 . 1 1 6 6 LEU HD13 H 1 0.895 0.02 . 2 . . . A 6 LEU MD1 . 25638 1 52 . 1 1 6 6 LEU HD21 H 1 1.141 0.02 . 2 . . . A 6 LEU MD2 . 25638 1 53 . 1 1 6 6 LEU HD22 H 1 1.141 0.02 . 2 . . . A 6 LEU MD2 . 25638 1 54 . 1 1 6 6 LEU HD23 H 1 1.141 0.02 . 2 . . . A 6 LEU MD2 . 25638 1 55 . 1 1 6 6 LEU C C 13 176.582 0.30 . 1 . . . A 6 LEU C . 25638 1 56 . 1 1 6 6 LEU CA C 13 53.922 0.30 . 1 . . . A 6 LEU CA . 25638 1 57 . 1 1 6 6 LEU CB C 13 44.606 0.30 . 1 . . . A 6 LEU CB . 25638 1 58 . 1 1 6 6 LEU CG C 13 26.420 0.30 . 1 . . . A 6 LEU CG . 25638 1 59 . 1 1 6 6 LEU CD1 C 13 23.230 0.30 . 2 . . . A 6 LEU CD1 . 25638 1 60 . 1 1 6 6 LEU CD2 C 13 26.425 0.30 . 2 . . . A 6 LEU CD2 . 25638 1 61 . 1 1 6 6 LEU N N 15 121.895 0.10 . 1 . . . A 6 LEU N . 25638 1 62 . 1 1 7 7 ASP H H 1 8.318 0.02 . 1 . . . A 7 ASP H . 25638 1 63 . 1 1 7 7 ASP HA H 1 4.606 0.02 . 1 . . . A 7 ASP HA . 25638 1 64 . 1 1 7 7 ASP HB2 H 1 2.751 0.02 . 2 . . . A 7 ASP HB2 . 25638 1 65 . 1 1 7 7 ASP HB3 H 1 3.081 0.02 . 2 . . . A 7 ASP HB3 . 25638 1 66 . 1 1 7 7 ASP C C 13 175.127 0.30 . 1 . . . A 7 ASP C . 25638 1 67 . 1 1 7 7 ASP CA C 13 53.218 0.30 . 1 . . . A 7 ASP CA . 25638 1 68 . 1 1 7 7 ASP CB C 13 40.958 0.30 . 1 . . . A 7 ASP CB . 25638 1 69 . 1 1 7 7 ASP N N 15 121.978 0.10 . 1 . . . A 7 ASP N . 25638 1 70 . 1 1 8 8 GLN H H 1 8.746 0.02 . 1 . . . A 8 GLN H . 25638 1 71 . 1 1 8 8 GLN HA H 1 4.086 0.02 . 1 . . . A 8 GLN HA . 25638 1 72 . 1 1 8 8 GLN HB2 H 1 2.170 0.02 . 2 . . . A 8 GLN HB2 . 25638 1 73 . 1 1 8 8 GLN HB3 H 1 2.170 0.02 . 2 . . . A 8 GLN HB3 . 25638 1 74 . 1 1 8 8 GLN HG2 H 1 2.498 0.02 . 2 . . . A 8 GLN HG2 . 25638 1 75 . 1 1 8 8 GLN HG3 H 1 2.498 0.02 . 2 . . . A 8 GLN HG3 . 25638 1 76 . 1 1 8 8 GLN C C 13 178.360 0.30 . 1 . . . A 8 GLN C . 25638 1 77 . 1 1 8 8 GLN CA C 13 59.825 0.30 . 1 . . . A 8 GLN CA . 25638 1 78 . 1 1 8 8 GLN CB C 13 28.484 0.30 . 1 . . . A 8 GLN CB . 25638 1 79 . 1 1 8 8 GLN CG C 13 33.795 0.30 . 1 . . . A 8 GLN CG . 25638 1 80 . 1 1 8 8 GLN N N 15 119.885 0.10 . 1 . . . A 8 GLN N . 25638 1 81 . 1 1 9 9 LYS H H 1 8.454 0.02 . 1 . . . A 9 LYS H . 25638 1 82 . 1 1 9 9 LYS HA H 1 4.197 0.02 . 1 . . . A 9 LYS HA . 25638 1 83 . 1 1 9 9 LYS HB2 H 1 1.948 0.02 . 2 . . . A 9 LYS HB2 . 25638 1 84 . 1 1 9 9 LYS HB3 H 1 1.948 0.02 . 2 . . . A 9 LYS HB3 . 25638 1 85 . 1 1 9 9 LYS HG2 H 1 1.568 0.02 . 2 . . . A 9 LYS HG2 . 25638 1 86 . 1 1 9 9 LYS HG3 H 1 1.483 0.02 . 2 . . . A 9 LYS HG3 . 25638 1 87 . 1 1 9 9 LYS HD2 H 1 1.757 0.02 . 2 . . . A 9 LYS HD2 . 25638 1 88 . 1 1 9 9 LYS HD3 H 1 1.757 0.02 . 2 . . . A 9 LYS HD3 . 25638 1 89 . 1 1 9 9 LYS C C 13 178.983 0.30 . 1 . . . A 9 LYS C . 25638 1 90 . 1 1 9 9 LYS CA C 13 59.374 0.30 . 1 . . . A 9 LYS CA . 25638 1 91 . 1 1 9 9 LYS CB C 13 31.957 0.30 . 1 . . . A 9 LYS CB . 25638 1 92 . 1 1 9 9 LYS CG C 13 24.952 0.30 . 1 . . . A 9 LYS CG . 25638 1 93 . 1 1 9 9 LYS CD C 13 29.198 0.30 . 1 . . . A 9 LYS CD . 25638 1 94 . 1 1 9 9 LYS N N 15 120.863 0.10 . 1 . . . A 9 LYS N . 25638 1 95 . 1 1 10 10 THR H H 1 8.531 0.02 . 1 . . . A 10 THR H . 25638 1 96 . 1 1 10 10 THR HA H 1 3.985 0.02 . 1 . . . A 10 THR HA . 25638 1 97 . 1 1 10 10 THR HB H 1 4.095 0.02 . 1 . . . A 10 THR HB . 25638 1 98 . 1 1 10 10 THR HG21 H 1 1.059 0.02 . 1 . . . A 10 THR MG . 25638 1 99 . 1 1 10 10 THR HG22 H 1 1.059 0.02 . 1 . . . A 10 THR MG . 25638 1 100 . 1 1 10 10 THR HG23 H 1 1.059 0.02 . 1 . . . A 10 THR MG . 25638 1 101 . 1 1 10 10 THR C C 13 176.554 0.30 . 1 . . . A 10 THR C . 25638 1 102 . 1 1 10 10 THR CA C 13 67.618 0.30 . 1 . . . A 10 THR CA . 25638 1 103 . 1 1 10 10 THR CB C 13 67.523 0.30 . 1 . . . A 10 THR CB . 25638 1 104 . 1 1 10 10 THR CG2 C 13 22.810 0.30 . 1 . . . A 10 THR CG2 . 25638 1 105 . 1 1 10 10 THR N N 15 118.654 0.10 . 1 . . . A 10 THR N . 25638 1 106 . 1 1 11 11 PHE H H 1 9.296 0.02 . 1 . . . A 11 PHE H . 25638 1 107 . 1 1 11 11 PHE HA H 1 3.994 0.02 . 1 . . . A 11 PHE HA . 25638 1 108 . 1 1 11 11 PHE HB2 H 1 3.362 0.02 . 2 . . . A 11 PHE HB2 . 25638 1 109 . 1 1 11 11 PHE HB3 H 1 3.149 0.02 . 2 . . . A 11 PHE HB3 . 25638 1 110 . 1 1 11 11 PHE HD1 H 1 7.350 0.02 . 3 . . . A 11 PHE HD1 . 25638 1 111 . 1 1 11 11 PHE HD2 H 1 7.350 0.02 . 3 . . . A 11 PHE HD2 . 25638 1 112 . 1 1 11 11 PHE HE1 H 1 7.429 0.02 . 3 . . . A 11 PHE HE1 . 25638 1 113 . 1 1 11 11 PHE HE2 H 1 7.429 0.02 . 3 . . . A 11 PHE HE2 . 25638 1 114 . 1 1 11 11 PHE C C 13 176.326 0.30 . 1 . . . A 11 PHE C . 25638 1 115 . 1 1 11 11 PHE CA C 13 63.219 0.30 . 1 . . . A 11 PHE CA . 25638 1 116 . 1 1 11 11 PHE CB C 13 39.346 0.30 . 1 . . . A 11 PHE CB . 25638 1 117 . 1 1 11 11 PHE CD2 C 13 131.665 0.30 . 3 . . . A 11 PHE CD2 . 25638 1 118 . 1 1 11 11 PHE N N 15 123.876 0.10 . 1 . . . A 11 PHE N . 25638 1 119 . 1 1 12 12 SER H H 1 8.306 0.02 . 1 . . . A 12 SER H . 25638 1 120 . 1 1 12 12 SER HA H 1 4.151 0.02 . 1 . . . A 12 SER HA . 25638 1 121 . 1 1 12 12 SER HB2 H 1 3.989 0.02 . 2 . . . A 12 SER HB2 . 25638 1 122 . 1 1 12 12 SER HB3 H 1 3.989 0.02 . 2 . . . A 12 SER HB3 . 25638 1 123 . 1 1 12 12 SER C C 13 176.572 0.30 . 1 . . . A 12 SER C . 25638 1 124 . 1 1 12 12 SER CA C 13 62.899 0.30 . 1 . . . A 12 SER CA . 25638 1 125 . 1 1 12 12 SER CB C 13 63.194 0.30 . 1 . . . A 12 SER CB . 25638 1 126 . 1 1 12 12 SER N N 15 114.219 0.10 . 1 . . . A 12 SER N . 25638 1 127 . 1 1 13 13 ILE H H 1 7.897 0.02 . 1 . . . A 13 ILE H . 25638 1 128 . 1 1 13 13 ILE HA H 1 3.837 0.02 . 1 . . . A 13 ILE HA . 25638 1 129 . 1 1 13 13 ILE HB H 1 1.898 0.02 . 1 . . . A 13 ILE HB . 25638 1 130 . 1 1 13 13 ILE HG12 H 1 1.152 0.02 . 2 . . . A 13 ILE HG12 . 25638 1 131 . 1 1 13 13 ILE HG13 H 1 1.152 0.02 . 2 . . . A 13 ILE HG13 . 25638 1 132 . 1 1 13 13 ILE HG21 H 1 0.792 0.02 . 1 . . . A 13 ILE MG . 25638 1 133 . 1 1 13 13 ILE HG22 H 1 0.792 0.02 . 1 . . . A 13 ILE MG . 25638 1 134 . 1 1 13 13 ILE HG23 H 1 0.792 0.02 . 1 . . . A 13 ILE MG . 25638 1 135 . 1 1 13 13 ILE HD11 H 1 0.816 0.02 . 1 . . . A 13 ILE MD . 25638 1 136 . 1 1 13 13 ILE HD12 H 1 0.816 0.02 . 1 . . . A 13 ILE MD . 25638 1 137 . 1 1 13 13 ILE HD13 H 1 0.816 0.02 . 1 . . . A 13 ILE MD . 25638 1 138 . 1 1 13 13 ILE C C 13 178.213 0.30 . 1 . . . A 13 ILE C . 25638 1 139 . 1 1 13 13 ILE CA C 13 65.100 0.30 . 1 . . . A 13 ILE CA . 25638 1 140 . 1 1 13 13 ILE CB C 13 38.310 0.30 . 1 . . . A 13 ILE CB . 25638 1 141 . 1 1 13 13 ILE CG1 C 13 28.970 0.30 . 1 . . . A 13 ILE CG1 . 25638 1 142 . 1 1 13 13 ILE CG2 C 13 18.023 0.30 . 1 . . . A 13 ILE CG2 . 25638 1 143 . 1 1 13 13 ILE CD1 C 13 14.005 0.30 . 1 . . . A 13 ILE CD1 . 25638 1 144 . 1 1 13 13 ILE N N 15 123.613 0.10 . 1 . . . A 13 ILE N . 25638 1 145 . 1 1 14 14 CYS H H 1 8.329 0.02 . 1 . . . A 14 CYS H . 25638 1 146 . 1 1 14 14 CYS HA H 1 3.551 0.02 . 1 . . . A 14 CYS HA . 25638 1 147 . 1 1 14 14 CYS HB2 H 1 0.911 0.02 . 2 . . . A 14 CYS HB2 . 25638 1 148 . 1 1 14 14 CYS HB3 H 1 1.593 0.02 . 2 . . . A 14 CYS HB3 . 25638 1 149 . 1 1 14 14 CYS C C 13 174.660 0.30 . 1 . . . A 14 CYS C . 25638 1 150 . 1 1 14 14 CYS CA C 13 64.572 0.30 . 1 . . . A 14 CYS CA . 25638 1 151 . 1 1 14 14 CYS CB C 13 26.721 0.30 . 1 . . . A 14 CYS CB . 25638 1 152 . 1 1 14 14 CYS N N 15 118.125 0.10 . 1 . . . A 14 CYS N . 25638 1 153 . 1 1 15 15 LYS H H 1 8.025 0.02 . 1 . . . A 15 LYS H . 25638 1 154 . 1 1 15 15 LYS HA H 1 3.149 0.02 . 1 . . . A 15 LYS HA . 25638 1 155 . 1 1 15 15 LYS HB2 H 1 1.821 0.02 . 2 . . . A 15 LYS HB2 . 25638 1 156 . 1 1 15 15 LYS HB3 H 1 1.821 0.02 . 2 . . . A 15 LYS HB3 . 25638 1 157 . 1 1 15 15 LYS HG2 H 1 1.306 0.02 . 2 . . . A 15 LYS HG2 . 25638 1 158 . 1 1 15 15 LYS HG3 H 1 1.491 0.02 . 2 . . . A 15 LYS HG3 . 25638 1 159 . 1 1 15 15 LYS C C 13 179.846 0.30 . 1 . . . A 15 LYS C . 25638 1 160 . 1 1 15 15 LYS CA C 13 59.732 0.30 . 1 . . . A 15 LYS CA . 25638 1 161 . 1 1 15 15 LYS CB C 13 32.092 0.30 . 1 . . . A 15 LYS CB . 25638 1 162 . 1 1 15 15 LYS CG C 13 24.900 0.30 . 1 . . . A 15 LYS CG . 25638 1 163 . 1 1 15 15 LYS N N 15 118.532 0.10 . 1 . . . A 15 LYS N . 25638 1 164 . 1 1 16 16 GLU H H 1 7.403 0.02 . 1 . . . A 16 GLU H . 25638 1 165 . 1 1 16 16 GLU HA H 1 4.027 0.02 . 1 . . . A 16 GLU HA . 25638 1 166 . 1 1 16 16 GLU HB2 H 1 2.119 0.02 . 2 . . . A 16 GLU HB2 . 25638 1 167 . 1 1 16 16 GLU HB3 H 1 2.119 0.02 . 2 . . . A 16 GLU HB3 . 25638 1 168 . 1 1 16 16 GLU HG2 H 1 2.304 0.02 . 2 . . . A 16 GLU HG2 . 25638 1 169 . 1 1 16 16 GLU HG3 H 1 2.304 0.02 . 2 . . . A 16 GLU HG3 . 25638 1 170 . 1 1 16 16 GLU C C 13 179.609 0.30 . 1 . . . A 16 GLU C . 25638 1 171 . 1 1 16 16 GLU CA C 13 59.142 0.30 . 1 . . . A 16 GLU CA . 25638 1 172 . 1 1 16 16 GLU CB C 13 29.113 0.30 . 1 . . . A 16 GLU CB . 25638 1 173 . 1 1 16 16 GLU CG C 13 35.531 0.30 . 1 . . . A 16 GLU CG . 25638 1 174 . 1 1 16 16 GLU N N 15 118.138 0.10 . 1 . . . A 16 GLU N . 25638 1 175 . 1 1 17 17 ARG H H 1 8.325 0.02 . 1 . . . A 17 ARG H . 25638 1 176 . 1 1 17 17 ARG HA H 1 4.063 0.02 . 1 . . . A 17 ARG HA . 25638 1 177 . 1 1 17 17 ARG HB2 H 1 1.897 0.02 . 2 . . . A 17 ARG HB2 . 25638 1 178 . 1 1 17 17 ARG HB3 H 1 1.752 0.02 . 2 . . . A 17 ARG HB3 . 25638 1 179 . 1 1 17 17 ARG HG2 H 1 1.733 0.02 . 2 . . . A 17 ARG HG2 . 25638 1 180 . 1 1 17 17 ARG HG3 H 1 1.733 0.02 . 2 . . . A 17 ARG HG3 . 25638 1 181 . 1 1 17 17 ARG HD2 H 1 2.878 0.02 . 2 . . . A 17 ARG HD2 . 25638 1 182 . 1 1 17 17 ARG HD3 H 1 2.940 0.02 . 2 . . . A 17 ARG HD3 . 25638 1 183 . 1 1 17 17 ARG C C 13 178.194 0.30 . 1 . . . A 17 ARG C . 25638 1 184 . 1 1 17 17 ARG CA C 13 58.155 0.30 . 1 . . . A 17 ARG CA . 25638 1 185 . 1 1 17 17 ARG CB C 13 29.967 0.30 . 1 . . . A 17 ARG CB . 25638 1 186 . 1 1 17 17 ARG CG C 13 27.113 0.30 . 1 . . . A 17 ARG CG . 25638 1 187 . 1 1 17 17 ARG CD C 13 42.800 0.30 . 1 . . . A 17 ARG CD . 25638 1 188 . 1 1 17 17 ARG N N 15 117.969 0.10 . 1 . . . A 17 ARG N . 25638 1 189 . 1 1 18 18 MET H H 1 7.718 0.02 . 1 . . . A 18 MET H . 25638 1 190 . 1 1 18 18 MET HA H 1 4.561 0.02 . 1 . . . A 18 MET HA . 25638 1 191 . 1 1 18 18 MET HB2 H 1 1.739 0.02 . 2 . . . A 18 MET HB2 . 25638 1 192 . 1 1 18 18 MET HB3 H 1 2.239 0.02 . 2 . . . A 18 MET HB3 . 25638 1 193 . 1 1 18 18 MET HG2 H 1 1.992 0.02 . 2 . . . A 18 MET HG2 . 25638 1 194 . 1 1 18 18 MET HG3 H 1 2.436 0.02 . 2 . . . A 18 MET HG3 . 25638 1 195 . 1 1 18 18 MET HE1 H 1 1.790 0.02 . 1 . . . A 18 MET ME . 25638 1 196 . 1 1 18 18 MET HE2 H 1 1.790 0.02 . 1 . . . A 18 MET ME . 25638 1 197 . 1 1 18 18 MET HE3 H 1 1.790 0.02 . 1 . . . A 18 MET ME . 25638 1 198 . 1 1 18 18 MET C C 13 175.540 0.30 . 1 . . . A 18 MET C . 25638 1 199 . 1 1 18 18 MET CA C 13 53.377 0.30 . 1 . . . A 18 MET CA . 25638 1 200 . 1 1 18 18 MET CB C 13 29.724 0.30 . 1 . . . A 18 MET CB . 25638 1 201 . 1 1 18 18 MET CG C 13 33.920 0.30 . 1 . . . A 18 MET CG . 25638 1 202 . 1 1 18 18 MET CE C 13 17.216 0.30 . 1 . . . A 18 MET CE . 25638 1 203 . 1 1 18 18 MET N N 15 113.332 0.10 . 1 . . . A 18 MET N . 25638 1 204 . 1 1 19 19 ARG H H 1 7.152 0.02 . 1 . . . A 19 ARG H . 25638 1 205 . 1 1 19 19 ARG HA H 1 4.151 0.02 . 1 . . . A 19 ARG HA . 25638 1 206 . 1 1 19 19 ARG HB2 H 1 1.898 0.02 . 2 . . . A 19 ARG HB2 . 25638 1 207 . 1 1 19 19 ARG HB3 H 1 2.005 0.02 . 2 . . . A 19 ARG HB3 . 25638 1 208 . 1 1 19 19 ARG HG2 H 1 1.644 0.02 . 2 . . . A 19 ARG HG2 . 25638 1 209 . 1 1 19 19 ARG HG3 H 1 1.841 0.02 . 2 . . . A 19 ARG HG3 . 25638 1 210 . 1 1 19 19 ARG HD2 H 1 3.139 0.02 . 2 . . . A 19 ARG HD2 . 25638 1 211 . 1 1 19 19 ARG HD3 H 1 3.139 0.02 . 2 . . . A 19 ARG HD3 . 25638 1 212 . 1 1 19 19 ARG C C 13 175.206 0.30 . 1 . . . A 19 ARG C . 25638 1 213 . 1 1 19 19 ARG CA C 13 61.133 0.30 . 1 . . . A 19 ARG CA . 25638 1 214 . 1 1 19 19 ARG CB C 13 28.258 0.30 . 1 . . . A 19 ARG CB . 25638 1 215 . 1 1 19 19 ARG CG C 13 27.059 0.30 . 1 . . . A 19 ARG CG . 25638 1 216 . 1 1 19 19 ARG CD C 13 43.791 0.30 . 1 . . . A 19 ARG CD . 25638 1 217 . 1 1 19 19 ARG N N 15 123.288 0.10 . 1 . . . A 19 ARG N . 25638 1 218 . 1 1 20 20 PRO HA H 1 4.343 0.02 . 1 . . . A 20 PRO HA . 25638 1 219 . 1 1 20 20 PRO HB2 H 1 0.952 0.02 . 2 . . . A 20 PRO HB2 . 25638 1 220 . 1 1 20 20 PRO HB3 H 1 2.405 0.02 . 2 . . . A 20 PRO HB3 . 25638 1 221 . 1 1 20 20 PRO HG2 H 1 1.940 0.02 . 2 . . . A 20 PRO HG2 . 25638 1 222 . 1 1 20 20 PRO HG3 H 1 1.940 0.02 . 2 . . . A 20 PRO HG3 . 25638 1 223 . 1 1 20 20 PRO HD2 H 1 3.147 0.02 . 2 . . . A 20 PRO HD2 . 25638 1 224 . 1 1 20 20 PRO HD3 H 1 3.147 0.02 . 2 . . . A 20 PRO HD3 . 25638 1 225 . 1 1 20 20 PRO C C 13 177.496 0.30 . 1 . . . A 20 PRO C . 25638 1 226 . 1 1 20 20 PRO CA C 13 65.997 0.30 . 1 . . . A 20 PRO CA . 25638 1 227 . 1 1 20 20 PRO CB C 13 31.840 0.30 . 1 . . . A 20 PRO CB . 25638 1 228 . 1 1 20 20 PRO CG C 13 28.339 0.30 . 1 . . . A 20 PRO CG . 25638 1 229 . 1 1 20 20 PRO CD C 13 50.987 0.30 . 1 . . . A 20 PRO CD . 25638 1 230 . 1 1 21 21 VAL H H 1 7.352 0.02 . 1 . . . A 21 VAL H . 25638 1 231 . 1 1 21 21 VAL HA H 1 4.821 0.02 . 1 . . . A 21 VAL HA . 25638 1 232 . 1 1 21 21 VAL HB H 1 2.392 0.02 . 1 . . . A 21 VAL HB . 25638 1 233 . 1 1 21 21 VAL HG11 H 1 0.550 0.02 . 2 . . . A 21 VAL MG1 . 25638 1 234 . 1 1 21 21 VAL HG12 H 1 0.550 0.02 . 2 . . . A 21 VAL MG1 . 25638 1 235 . 1 1 21 21 VAL HG13 H 1 0.550 0.02 . 2 . . . A 21 VAL MG1 . 25638 1 236 . 1 1 21 21 VAL HG21 H 1 0.675 0.02 . 2 . . . A 21 VAL MG2 . 25638 1 237 . 1 1 21 21 VAL HG22 H 1 0.675 0.02 . 2 . . . A 21 VAL MG2 . 25638 1 238 . 1 1 21 21 VAL HG23 H 1 0.675 0.02 . 2 . . . A 21 VAL MG2 . 25638 1 239 . 1 1 21 21 VAL C C 13 174.911 0.30 . 1 . . . A 21 VAL C . 25638 1 240 . 1 1 21 21 VAL CA C 13 59.103 0.30 . 1 . . . A 21 VAL CA . 25638 1 241 . 1 1 21 21 VAL CB C 13 30.856 0.30 . 1 . . . A 21 VAL CB . 25638 1 242 . 1 1 21 21 VAL CG1 C 13 21.154 0.30 . 2 . . . A 21 VAL CG1 . 25638 1 243 . 1 1 21 21 VAL CG2 C 13 20.069 0.30 . 2 . . . A 21 VAL CG2 . 25638 1 244 . 1 1 21 21 VAL N N 15 105.802 0.10 . 1 . . . A 21 VAL N . 25638 1 245 . 1 1 22 22 LYS H H 1 7.640 0.02 . 1 . . . A 22 LYS H . 25638 1 246 . 1 1 22 22 LYS HA H 1 3.764 0.02 . 1 . . . A 22 LYS HA . 25638 1 247 . 1 1 22 22 LYS HB2 H 1 1.844 0.02 . 2 . . . A 22 LYS HB2 . 25638 1 248 . 1 1 22 22 LYS HB3 H 1 1.844 0.02 . 2 . . . A 22 LYS HB3 . 25638 1 249 . 1 1 22 22 LYS HG2 H 1 1.432 0.02 . 2 . . . A 22 LYS HG2 . 25638 1 250 . 1 1 22 22 LYS HG3 H 1 1.432 0.02 . 2 . . . A 22 LYS HG3 . 25638 1 251 . 1 1 22 22 LYS C C 13 177.408 0.30 . 1 . . . A 22 LYS C . 25638 1 252 . 1 1 22 22 LYS CA C 13 60.332 0.30 . 1 . . . A 22 LYS CA . 25638 1 253 . 1 1 22 22 LYS CB C 13 32.214 0.30 . 1 . . . A 22 LYS CB . 25638 1 254 . 1 1 22 22 LYS CG C 13 24.499 0.30 . 1 . . . A 22 LYS CG . 25638 1 255 . 1 1 22 22 LYS CD C 13 29.750 0.30 . 1 . . . A 22 LYS CD . 25638 1 256 . 1 1 22 22 LYS N N 15 122.802 0.10 . 1 . . . A 22 LYS N . 25638 1 257 . 1 1 23 23 ALA H H 1 8.571 0.02 . 1 . . . A 23 ALA H . 25638 1 258 . 1 1 23 23 ALA HA H 1 4.075 0.02 . 1 . . . A 23 ALA HA . 25638 1 259 . 1 1 23 23 ALA HB1 H 1 1.370 0.02 . 1 . . . A 23 ALA MB . 25638 1 260 . 1 1 23 23 ALA HB2 H 1 1.370 0.02 . 1 . . . A 23 ALA MB . 25638 1 261 . 1 1 23 23 ALA HB3 H 1 1.370 0.02 . 1 . . . A 23 ALA MB . 25638 1 262 . 1 1 23 23 ALA C C 13 179.648 0.30 . 1 . . . A 23 ALA C . 25638 1 263 . 1 1 23 23 ALA CA C 13 55.159 0.30 . 1 . . . A 23 ALA CA . 25638 1 264 . 1 1 23 23 ALA CB C 13 17.914 0.30 . 1 . . . A 23 ALA CB . 25638 1 265 . 1 1 23 23 ALA N N 15 120.067 0.10 . 1 . . . A 23 ALA N . 25638 1 266 . 1 1 24 24 ALA H H 1 7.320 0.02 . 1 . . . A 24 ALA H . 25638 1 267 . 1 1 24 24 ALA HA H 1 4.162 0.02 . 1 . . . A 24 ALA HA . 25638 1 268 . 1 1 24 24 ALA HB1 H 1 1.411 0.02 . 1 . . . A 24 ALA MB . 25638 1 269 . 1 1 24 24 ALA HB2 H 1 1.411 0.02 . 1 . . . A 24 ALA MB . 25638 1 270 . 1 1 24 24 ALA HB3 H 1 1.411 0.02 . 1 . . . A 24 ALA MB . 25638 1 271 . 1 1 24 24 ALA C C 13 178.921 0.30 . 1 . . . A 24 ALA C . 25638 1 272 . 1 1 24 24 ALA CA C 13 54.756 0.30 . 1 . . . A 24 ALA CA . 25638 1 273 . 1 1 24 24 ALA CB C 13 18.193 0.30 . 1 . . . A 24 ALA CB . 25638 1 274 . 1 1 24 24 ALA N N 15 121.068 0.10 . 1 . . . A 24 ALA N . 25638 1 275 . 1 1 25 25 LEU H H 1 7.698 0.02 . 1 . . . A 25 LEU H . 25638 1 276 . 1 1 25 25 LEU HA H 1 3.711 0.02 . 1 . . . A 25 LEU HA . 25638 1 277 . 1 1 25 25 LEU HB2 H 1 1.532 0.02 . 2 . . . A 25 LEU HB2 . 25638 1 278 . 1 1 25 25 LEU HB3 H 1 0.508 0.02 . 2 . . . A 25 LEU HB3 . 25638 1 279 . 1 1 25 25 LEU HD11 H 1 0.637 0.02 . 2 . . . A 25 LEU MD1 . 25638 1 280 . 1 1 25 25 LEU HD12 H 1 0.637 0.02 . 2 . . . A 25 LEU MD1 . 25638 1 281 . 1 1 25 25 LEU HD13 H 1 0.637 0.02 . 2 . . . A 25 LEU MD1 . 25638 1 282 . 1 1 25 25 LEU HD21 H 1 0.636 0.02 . 2 . . . A 25 LEU MD2 . 25638 1 283 . 1 1 25 25 LEU HD22 H 1 0.636 0.02 . 2 . . . A 25 LEU MD2 . 25638 1 284 . 1 1 25 25 LEU HD23 H 1 0.636 0.02 . 2 . . . A 25 LEU MD2 . 25638 1 285 . 1 1 25 25 LEU C C 13 178.174 0.30 . 1 . . . A 25 LEU C . 25638 1 286 . 1 1 25 25 LEU CA C 13 57.951 0.30 . 1 . . . A 25 LEU CA . 25638 1 287 . 1 1 25 25 LEU CB C 13 40.630 0.30 . 1 . . . A 25 LEU CB . 25638 1 288 . 1 1 25 25 LEU CD1 C 13 25.647 0.30 . 2 . . . A 25 LEU CD1 . 25638 1 289 . 1 1 25 25 LEU CD2 C 13 25.033 0.30 . 2 . . . A 25 LEU CD2 . 25638 1 290 . 1 1 25 25 LEU N N 15 117.214 0.10 . 1 . . . A 25 LEU N . 25638 1 291 . 1 1 26 26 LYS H H 1 7.675 0.02 . 1 . . . A 26 LYS H . 25638 1 292 . 1 1 26 26 LYS HA H 1 4.163 0.02 . 1 . . . A 26 LYS HA . 25638 1 293 . 1 1 26 26 LYS HB2 H 1 1.959 0.02 . 2 . . . A 26 LYS HB2 . 25638 1 294 . 1 1 26 26 LYS HB3 H 1 1.897 0.02 . 2 . . . A 26 LYS HB3 . 25638 1 295 . 1 1 26 26 LYS HG2 H 1 1.488 0.02 . 2 . . . A 26 LYS HG2 . 25638 1 296 . 1 1 26 26 LYS HG3 H 1 1.617 0.02 . 2 . . . A 26 LYS HG3 . 25638 1 297 . 1 1 26 26 LYS HD2 H 1 1.684 0.02 . 2 . . . A 26 LYS HD2 . 25638 1 298 . 1 1 26 26 LYS HD3 H 1 1.684 0.02 . 2 . . . A 26 LYS HD3 . 25638 1 299 . 1 1 26 26 LYS C C 13 177.958 0.30 . 1 . . . A 26 LYS C . 25638 1 300 . 1 1 26 26 LYS CA C 13 58.414 0.30 . 1 . . . A 26 LYS CA . 25638 1 301 . 1 1 26 26 LYS CB C 13 32.166 0.30 . 1 . . . A 26 LYS CB . 25638 1 302 . 1 1 26 26 LYS CG C 13 25.147 0.30 . 1 . . . A 26 LYS CG . 25638 1 303 . 1 1 26 26 LYS CD C 13 29.188 0.30 . 1 . . . A 26 LYS CD . 25638 1 304 . 1 1 26 26 LYS N N 15 116.336 0.10 . 1 . . . A 26 LYS N . 25638 1 305 . 1 1 27 27 GLN H H 1 7.520 0.02 . 1 . . . A 27 GLN H . 25638 1 306 . 1 1 27 27 GLN HA H 1 4.275 0.02 . 1 . . . A 27 GLN HA . 25638 1 307 . 1 1 27 27 GLN HB2 H 1 2.265 0.02 . 2 . . . A 27 GLN HB2 . 25638 1 308 . 1 1 27 27 GLN HB3 H 1 2.265 0.02 . 2 . . . A 27 GLN HB3 . 25638 1 309 . 1 1 27 27 GLN HG2 H 1 2.488 0.02 . 2 . . . A 27 GLN HG2 . 25638 1 310 . 1 1 27 27 GLN HG3 H 1 2.610 0.02 . 2 . . . A 27 GLN HG3 . 25638 1 311 . 1 1 27 27 GLN HE21 H 1 7.379 0.02 . 2 . . . A 27 GLN HE21 . 25638 1 312 . 1 1 27 27 GLN HE22 H 1 6.858 0.02 . 2 . . . A 27 GLN HE22 . 25638 1 313 . 1 1 27 27 GLN C C 13 177.329 0.30 . 1 . . . A 27 GLN C . 25638 1 314 . 1 1 27 27 GLN CA C 13 56.807 0.30 . 1 . . . A 27 GLN CA . 25638 1 315 . 1 1 27 27 GLN CB C 13 30.020 0.30 . 1 . . . A 27 GLN CB . 25638 1 316 . 1 1 27 27 GLN CG C 13 34.404 0.30 . 1 . . . A 27 GLN CG . 25638 1 317 . 1 1 27 27 GLN N N 15 116.118 0.10 . 1 . . . A 27 GLN N . 25638 1 318 . 1 1 27 27 GLN NE2 N 15 111.555 0.10 . 1 . . . A 27 GLN NE2 . 25638 1 319 . 1 1 28 28 LEU H H 1 7.506 0.02 . 1 . . . A 28 LEU H . 25638 1 320 . 1 1 28 28 LEU HA H 1 4.153 0.02 . 1 . . . A 28 LEU HA . 25638 1 321 . 1 1 28 28 LEU HB2 H 1 1.759 0.02 . 2 . . . A 28 LEU HB2 . 25638 1 322 . 1 1 28 28 LEU HB3 H 1 1.900 0.02 . 2 . . . A 28 LEU HB3 . 25638 1 323 . 1 1 28 28 LEU HG H 1 1.790 0.02 . 1 . . . A 28 LEU HG . 25638 1 324 . 1 1 28 28 LEU HD11 H 1 0.892 0.02 . 2 . . . A 28 LEU MD1 . 25638 1 325 . 1 1 28 28 LEU HD12 H 1 0.892 0.02 . 2 . . . A 28 LEU MD1 . 25638 1 326 . 1 1 28 28 LEU HD13 H 1 0.892 0.02 . 2 . . . A 28 LEU MD1 . 25638 1 327 . 1 1 28 28 LEU HD21 H 1 0.933 0.02 . 2 . . . A 28 LEU MD2 . 25638 1 328 . 1 1 28 28 LEU HD22 H 1 0.933 0.02 . 2 . . . A 28 LEU MD2 . 25638 1 329 . 1 1 28 28 LEU HD23 H 1 0.933 0.02 . 2 . . . A 28 LEU MD2 . 25638 1 330 . 1 1 28 28 LEU C C 13 176.818 0.30 . 1 . . . A 28 LEU C . 25638 1 331 . 1 1 28 28 LEU CA C 13 58.042 0.30 . 1 . . . A 28 LEU CA . 25638 1 332 . 1 1 28 28 LEU CB C 13 41.911 0.30 . 1 . . . A 28 LEU CB . 25638 1 333 . 1 1 28 28 LEU CG C 13 26.659 0.30 . 1 . . . A 28 LEU CG . 25638 1 334 . 1 1 28 28 LEU CD1 C 13 25.306 0.30 . 2 . . . A 28 LEU CD1 . 25638 1 335 . 1 1 28 28 LEU CD2 C 13 25.614 0.30 . 2 . . . A 28 LEU CD2 . 25638 1 336 . 1 1 28 28 LEU N N 15 121.335 0.10 . 1 . . . A 28 LEU N . 25638 1 337 . 1 1 29 29 ASP H H 1 8.120 0.02 . 1 . . . A 29 ASP H . 25638 1 338 . 1 1 29 29 ASP HA H 1 4.914 0.02 . 1 . . . A 29 ASP HA . 25638 1 339 . 1 1 29 29 ASP HB2 H 1 2.833 0.02 . 2 . . . A 29 ASP HB2 . 25638 1 340 . 1 1 29 29 ASP HB3 H 1 2.879 0.02 . 2 . . . A 29 ASP HB3 . 25638 1 341 . 1 1 29 29 ASP C C 13 175.422 0.30 . 1 . . . A 29 ASP C . 25638 1 342 . 1 1 29 29 ASP CA C 13 54.126 0.30 . 1 . . . A 29 ASP CA . 25638 1 343 . 1 1 29 29 ASP CB C 13 42.715 0.30 . 1 . . . A 29 ASP CB . 25638 1 344 . 1 1 29 29 ASP N N 15 117.486 0.10 . 1 . . . A 29 ASP N . 25638 1 345 . 1 1 30 30 ARG H H 1 7.701 0.02 . 1 . . . A 30 ARG H . 25638 1 346 . 1 1 30 30 ARG HA H 1 4.761 0.02 . 1 . . . A 30 ARG HA . 25638 1 347 . 1 1 30 30 ARG HB2 H 1 1.728 0.02 . 2 . . . A 30 ARG HB2 . 25638 1 348 . 1 1 30 30 ARG HB3 H 1 1.728 0.02 . 2 . . . A 30 ARG HB3 . 25638 1 349 . 1 1 30 30 ARG C C 13 172.474 0.30 . 1 . . . A 30 ARG C . 25638 1 350 . 1 1 30 30 ARG CA C 13 53.231 0.30 . 1 . . . A 30 ARG CA . 25638 1 351 . 1 1 30 30 ARG CB C 13 31.311 0.30 . 1 . . . A 30 ARG CB . 25638 1 352 . 1 1 30 30 ARG N N 15 119.107 0.10 . 1 . . . A 30 ARG N . 25638 1 353 . 1 1 31 31 PRO HA H 1 4.266 0.02 . 1 . . . A 31 PRO HA . 25638 1 354 . 1 1 31 31 PRO HB2 H 1 2.137 0.02 . 2 . . . A 31 PRO HB2 . 25638 1 355 . 1 1 31 31 PRO HB3 H 1 1.823 0.02 . 2 . . . A 31 PRO HB3 . 25638 1 356 . 1 1 31 31 PRO HG2 H 1 1.985 0.02 . 2 . . . A 31 PRO HG2 . 25638 1 357 . 1 1 31 31 PRO HG3 H 1 1.985 0.02 . 2 . . . A 31 PRO HG3 . 25638 1 358 . 1 1 31 31 PRO HD2 H 1 3.596 0.02 . 2 . . . A 31 PRO HD2 . 25638 1 359 . 1 1 31 31 PRO HD3 H 1 3.596 0.02 . 2 . . . A 31 PRO HD3 . 25638 1 360 . 1 1 31 31 PRO C C 13 176.700 0.30 . 1 . . . A 31 PRO C . 25638 1 361 . 1 1 31 31 PRO CA C 13 62.945 0.30 . 1 . . . A 31 PRO CA . 25638 1 362 . 1 1 31 31 PRO CB C 13 32.014 0.30 . 1 . . . A 31 PRO CB . 25638 1 363 . 1 1 31 31 PRO CG C 13 27.354 0.30 . 1 . . . A 31 PRO CG . 25638 1 364 . 1 1 31 31 PRO CD C 13 50.038 0.30 . 1 . . . A 31 PRO CD . 25638 1 365 . 1 1 32 32 GLU H H 1 8.454 0.02 . 1 . . . A 32 GLU H . 25638 1 366 . 1 1 32 32 GLU HA H 1 4.188 0.02 . 1 . . . A 32 GLU HA . 25638 1 367 . 1 1 32 32 GLU HB2 H 1 1.858 0.02 . 2 . . . A 32 GLU HB2 . 25638 1 368 . 1 1 32 32 GLU HB3 H 1 1.943 0.02 . 2 . . . A 32 GLU HB3 . 25638 1 369 . 1 1 32 32 GLU HG2 H 1 2.258 0.02 . 2 . . . A 32 GLU HG2 . 25638 1 370 . 1 1 32 32 GLU HG3 H 1 2.258 0.02 . 2 . . . A 32 GLU HG3 . 25638 1 371 . 1 1 32 32 GLU C C 13 176.051 0.30 . 1 . . . A 32 GLU C . 25638 1 372 . 1 1 32 32 GLU CA C 13 56.389 0.30 . 1 . . . A 32 GLU CA . 25638 1 373 . 1 1 32 32 GLU CB C 13 30.188 0.30 . 1 . . . A 32 GLU CB . 25638 1 374 . 1 1 32 32 GLU CG C 13 35.990 0.30 . 1 . . . A 32 GLU CG . 25638 1 375 . 1 1 32 32 GLU N N 15 122.391 0.10 . 1 . . . A 32 GLU N . 25638 1 376 . 1 1 33 33 LYS H H 1 8.338 0.02 . 1 . . . A 33 LYS H . 25638 1 377 . 1 1 33 33 LYS HA H 1 4.176 0.02 . 1 . . . A 33 LYS HA . 25638 1 378 . 1 1 33 33 LYS HB2 H 1 1.798 0.02 . 2 . . . A 33 LYS HB2 . 25638 1 379 . 1 1 33 33 LYS HB3 H 1 1.798 0.02 . 2 . . . A 33 LYS HB3 . 25638 1 380 . 1 1 33 33 LYS HG2 H 1 1.419 0.02 . 2 . . . A 33 LYS HG2 . 25638 1 381 . 1 1 33 33 LYS HG3 H 1 1.476 0.02 . 2 . . . A 33 LYS HG3 . 25638 1 382 . 1 1 33 33 LYS HD2 H 1 1.672 0.02 . 2 . . . A 33 LYS HD2 . 25638 1 383 . 1 1 33 33 LYS HD3 H 1 1.672 0.02 . 2 . . . A 33 LYS HD3 . 25638 1 384 . 1 1 33 33 LYS C C 13 177.132 0.30 . 1 . . . A 33 LYS C . 25638 1 385 . 1 1 33 33 LYS CA C 13 57.127 0.30 . 1 . . . A 33 LYS CA . 25638 1 386 . 1 1 33 33 LYS CB C 13 32.640 0.30 . 1 . . . A 33 LYS CB . 25638 1 387 . 1 1 33 33 LYS CG C 13 24.713 0.30 . 1 . . . A 33 LYS CG . 25638 1 388 . 1 1 33 33 LYS CD C 13 28.997 0.30 . 1 . . . A 33 LYS CD . 25638 1 389 . 1 1 33 33 LYS N N 15 123.127 0.10 . 1 . . . A 33 LYS N . 25638 1 390 . 1 1 34 34 GLY H H 1 8.643 0.02 . 1 . . . A 34 GLY H . 25638 1 391 . 1 1 34 34 GLY HA2 H 1 4.014 0.02 . 2 . . . A 34 GLY HA2 . 25638 1 392 . 1 1 34 34 GLY HA3 H 1 3.811 0.02 . 2 . . . A 34 GLY HA3 . 25638 1 393 . 1 1 34 34 GLY C C 13 174.125 0.30 . 1 . . . A 34 GLY C . 25638 1 394 . 1 1 34 34 GLY CA C 13 45.318 0.30 . 1 . . . A 34 GLY CA . 25638 1 395 . 1 1 34 34 GLY N N 15 109.507 0.10 . 1 . . . A 34 GLY N . 25638 1 396 . 1 1 35 35 LEU H H 1 7.480 0.02 . 1 . . . A 35 LEU H . 25638 1 397 . 1 1 35 35 LEU HA H 1 4.515 0.02 . 1 . . . A 35 LEU HA . 25638 1 398 . 1 1 35 35 LEU HB2 H 1 1.592 0.02 . 2 . . . A 35 LEU HB2 . 25638 1 399 . 1 1 35 35 LEU HB3 H 1 1.729 0.02 . 2 . . . A 35 LEU HB3 . 25638 1 400 . 1 1 35 35 LEU HG H 1 1.609 0.02 . 1 . . . A 35 LEU HG . 25638 1 401 . 1 1 35 35 LEU HD11 H 1 0.749 0.02 . 2 . . . A 35 LEU MD1 . 25638 1 402 . 1 1 35 35 LEU HD12 H 1 0.749 0.02 . 2 . . . A 35 LEU MD1 . 25638 1 403 . 1 1 35 35 LEU HD13 H 1 0.749 0.02 . 2 . . . A 35 LEU MD1 . 25638 1 404 . 1 1 35 35 LEU HD21 H 1 0.739 0.02 . 2 . . . A 35 LEU MD2 . 25638 1 405 . 1 1 35 35 LEU HD22 H 1 0.739 0.02 . 2 . . . A 35 LEU MD2 . 25638 1 406 . 1 1 35 35 LEU HD23 H 1 0.739 0.02 . 2 . . . A 35 LEU MD2 . 25638 1 407 . 1 1 35 35 LEU C C 13 177.447 0.30 . 1 . . . A 35 LEU C . 25638 1 408 . 1 1 35 35 LEU CA C 13 54.449 0.30 . 1 . . . A 35 LEU CA . 25638 1 409 . 1 1 35 35 LEU CB C 13 43.116 0.30 . 1 . . . A 35 LEU CB . 25638 1 410 . 1 1 35 35 LEU CG C 13 26.640 0.30 . 1 . . . A 35 LEU CG . 25638 1 411 . 1 1 35 35 LEU CD1 C 13 22.461 0.30 . 2 . . . A 35 LEU CD1 . 25638 1 412 . 1 1 35 35 LEU CD2 C 13 25.565 0.30 . 2 . . . A 35 LEU CD2 . 25638 1 413 . 1 1 35 35 LEU N N 15 120.392 0.10 . 1 . . . A 35 LEU N . 25638 1 414 . 1 1 36 36 SER H H 1 8.838 0.02 . 1 . . . A 36 SER H . 25638 1 415 . 1 1 36 36 SER HA H 1 4.471 0.02 . 1 . . . A 36 SER HA . 25638 1 416 . 1 1 36 36 SER HB2 H 1 4.064 0.02 . 2 . . . A 36 SER HB2 . 25638 1 417 . 1 1 36 36 SER HB3 H 1 4.315 0.02 . 2 . . . A 36 SER HB3 . 25638 1 418 . 1 1 36 36 SER C C 13 174.282 0.30 . 1 . . . A 36 SER C . 25638 1 419 . 1 1 36 36 SER CA C 13 57.814 0.30 . 1 . . . A 36 SER CA . 25638 1 420 . 1 1 36 36 SER CB C 13 64.678 0.30 . 1 . . . A 36 SER CB . 25638 1 421 . 1 1 36 36 SER N N 15 118.629 0.10 . 1 . . . A 36 SER N . 25638 1 422 . 1 1 37 37 GLU H H 1 9.018 0.02 . 1 . . . A 37 GLU H . 25638 1 423 . 1 1 37 37 GLU HA H 1 4.014 0.02 . 1 . . . A 37 GLU HA . 25638 1 424 . 1 1 37 37 GLU HB2 H 1 2.088 0.02 . 2 . . . A 37 GLU HB2 . 25638 1 425 . 1 1 37 37 GLU HB3 H 1 2.138 0.02 . 2 . . . A 37 GLU HB3 . 25638 1 426 . 1 1 37 37 GLU HG2 H 1 2.389 0.02 . 2 . . . A 37 GLU HG2 . 25638 1 427 . 1 1 37 37 GLU HG3 H 1 2.281 0.02 . 2 . . . A 37 GLU HG3 . 25638 1 428 . 1 1 37 37 GLU C C 13 178.626 0.30 . 1 . . . A 37 GLU C . 25638 1 429 . 1 1 37 37 GLU CA C 13 60.578 0.30 . 1 . . . A 37 GLU CA . 25638 1 430 . 1 1 37 37 GLU CB C 13 29.349 0.30 . 1 . . . A 37 GLU CB . 25638 1 431 . 1 1 37 37 GLU CG C 13 36.441 0.30 . 1 . . . A 37 GLU CG . 25638 1 432 . 1 1 37 37 GLU N N 15 122.722 0.10 . 1 . . . A 37 GLU N . 25638 1 433 . 1 1 38 38 ARG H H 1 8.509 0.02 . 1 . . . A 38 ARG H . 25638 1 434 . 1 1 38 38 ARG HA H 1 4.113 0.02 . 1 . . . A 38 ARG HA . 25638 1 435 . 1 1 38 38 ARG HB2 H 1 1.793 0.02 . 2 . . . A 38 ARG HB2 . 25638 1 436 . 1 1 38 38 ARG HB3 H 1 1.926 0.02 . 2 . . . A 38 ARG HB3 . 25638 1 437 . 1 1 38 38 ARG HG2 H 1 1.650 0.02 . 2 . . . A 38 ARG HG2 . 25638 1 438 . 1 1 38 38 ARG HG3 H 1 1.650 0.02 . 2 . . . A 38 ARG HG3 . 25638 1 439 . 1 1 38 38 ARG HD2 H 1 3.246 0.02 . 2 . . . A 38 ARG HD2 . 25638 1 440 . 1 1 38 38 ARG HD3 H 1 3.246 0.02 . 2 . . . A 38 ARG HD3 . 25638 1 441 . 1 1 38 38 ARG C C 13 178.862 0.30 . 1 . . . A 38 ARG C . 25638 1 442 . 1 1 38 38 ARG CA C 13 59.448 0.30 . 1 . . . A 38 ARG CA . 25638 1 443 . 1 1 38 38 ARG CB C 13 29.807 0.30 . 1 . . . A 38 ARG CB . 25638 1 444 . 1 1 38 38 ARG CG C 13 27.059 0.30 . 1 . . . A 38 ARG CG . 25638 1 445 . 1 1 38 38 ARG CD C 13 43.183 0.30 . 1 . . . A 38 ARG CD . 25638 1 446 . 1 1 38 38 ARG N N 15 118.418 0.10 . 1 . . . A 38 ARG N . 25638 1 447 . 1 1 39 39 GLU H H 1 7.761 0.02 . 1 . . . A 39 GLU H . 25638 1 448 . 1 1 39 39 GLU HA H 1 4.090 0.02 . 1 . . . A 39 GLU HA . 25638 1 449 . 1 1 39 39 GLU HB2 H 1 2.030 0.02 . 2 . . . A 39 GLU HB2 . 25638 1 450 . 1 1 39 39 GLU HB3 H 1 2.030 0.02 . 2 . . . A 39 GLU HB3 . 25638 1 451 . 1 1 39 39 GLU HG2 H 1 2.297 0.02 . 2 . . . A 39 GLU HG2 . 25638 1 452 . 1 1 39 39 GLU HG3 H 1 2.297 0.02 . 2 . . . A 39 GLU HG3 . 25638 1 453 . 1 1 39 39 GLU C C 13 179.179 0.30 . 1 . . . A 39 GLU C . 25638 1 454 . 1 1 39 39 GLU CA C 13 58.893 0.30 . 1 . . . A 39 GLU CA . 25638 1 455 . 1 1 39 39 GLU CB C 13 30.557 0.30 . 1 . . . A 39 GLU CB . 25638 1 456 . 1 1 39 39 GLU CG C 13 37.400 0.30 . 1 . . . A 39 GLU CG . 25638 1 457 . 1 1 39 39 GLU N N 15 119.730 0.10 . 1 . . . A 39 GLU N . 25638 1 458 . 1 1 40 40 GLN H H 1 8.871 0.02 . 1 . . . A 40 GLN H . 25638 1 459 . 1 1 40 40 GLN HA H 1 4.044 0.02 . 1 . . . A 40 GLN HA . 25638 1 460 . 1 1 40 40 GLN HB2 H 1 2.239 0.02 . 2 . . . A 40 GLN HB2 . 25638 1 461 . 1 1 40 40 GLN HB3 H 1 2.239 0.02 . 2 . . . A 40 GLN HB3 . 25638 1 462 . 1 1 40 40 GLN HG2 H 1 2.375 0.02 . 2 . . . A 40 GLN HG2 . 25638 1 463 . 1 1 40 40 GLN HG3 H 1 2.485 0.02 . 2 . . . A 40 GLN HG3 . 25638 1 464 . 1 1 40 40 GLN HE21 H 1 6.938 0.02 . 2 . . . A 40 GLN HE21 . 25638 1 465 . 1 1 40 40 GLN HE22 H 1 7.286 0.02 . 2 . . . A 40 GLN HE22 . 25638 1 466 . 1 1 40 40 GLN C C 13 178.410 0.30 . 1 . . . A 40 GLN C . 25638 1 467 . 1 1 40 40 GLN CA C 13 59.370 0.30 . 1 . . . A 40 GLN CA . 25638 1 468 . 1 1 40 40 GLN CB C 13 28.488 0.30 . 1 . . . A 40 GLN CB . 25638 1 469 . 1 1 40 40 GLN CG C 13 34.340 0.30 . 1 . . . A 40 GLN CG . 25638 1 470 . 1 1 40 40 GLN N N 15 121.665 0.10 . 1 . . . A 40 GLN N . 25638 1 471 . 1 1 40 40 GLN NE2 N 15 112.221 0.10 . 1 . . . A 40 GLN NE2 . 25638 1 472 . 1 1 41 41 LEU H H 1 8.140 0.02 . 1 . . . A 41 LEU H . 25638 1 473 . 1 1 41 41 LEU HA H 1 4.227 0.02 . 1 . . . A 41 LEU HA . 25638 1 474 . 1 1 41 41 LEU HB2 H 1 1.734 0.02 . 2 . . . A 41 LEU HB2 . 25638 1 475 . 1 1 41 41 LEU HB3 H 1 1.909 0.02 . 2 . . . A 41 LEU HB3 . 25638 1 476 . 1 1 41 41 LEU HG H 1 1.759 0.02 . 1 . . . A 41 LEU HG . 25638 1 477 . 1 1 41 41 LEU HD11 H 1 0.961 0.02 . 2 . . . A 41 LEU MD1 . 25638 1 478 . 1 1 41 41 LEU HD12 H 1 0.961 0.02 . 2 . . . A 41 LEU MD1 . 25638 1 479 . 1 1 41 41 LEU HD13 H 1 0.961 0.02 . 2 . . . A 41 LEU MD1 . 25638 1 480 . 1 1 41 41 LEU HD21 H 1 0.950 0.02 . 2 . . . A 41 LEU MD2 . 25638 1 481 . 1 1 41 41 LEU HD22 H 1 0.950 0.02 . 2 . . . A 41 LEU MD2 . 25638 1 482 . 1 1 41 41 LEU HD23 H 1 0.950 0.02 . 2 . . . A 41 LEU MD2 . 25638 1 483 . 1 1 41 41 LEU C C 13 179.491 0.30 . 1 . . . A 41 LEU C . 25638 1 484 . 1 1 41 41 LEU CA C 13 58.290 0.30 . 1 . . . A 41 LEU CA . 25638 1 485 . 1 1 41 41 LEU CB C 13 41.601 0.30 . 1 . . . A 41 LEU CB . 25638 1 486 . 1 1 41 41 LEU CG C 13 27.076 0.30 . 1 . . . A 41 LEU CG . 25638 1 487 . 1 1 41 41 LEU CD1 C 13 24.764 0.30 . 2 . . . A 41 LEU CD1 . 25638 1 488 . 1 1 41 41 LEU CD2 C 13 24.225 0.30 . 2 . . . A 41 LEU CD2 . 25638 1 489 . 1 1 41 41 LEU N N 15 121.002 0.10 . 1 . . . A 41 LEU N . 25638 1 490 . 1 1 42 42 GLU H H 1 7.894 0.02 . 1 . . . A 42 GLU H . 25638 1 491 . 1 1 42 42 GLU HA H 1 4.234 0.02 . 1 . . . A 42 GLU HA . 25638 1 492 . 1 1 42 42 GLU HB2 H 1 2.135 0.02 . 2 . . . A 42 GLU HB2 . 25638 1 493 . 1 1 42 42 GLU HB3 H 1 2.012 0.02 . 2 . . . A 42 GLU HB3 . 25638 1 494 . 1 1 42 42 GLU HG2 H 1 2.425 0.02 . 2 . . . A 42 GLU HG2 . 25638 1 495 . 1 1 42 42 GLU HG3 H 1 2.425 0.02 . 2 . . . A 42 GLU HG3 . 25638 1 496 . 1 1 42 42 GLU C C 13 178.253 0.30 . 1 . . . A 42 GLU C . 25638 1 497 . 1 1 42 42 GLU CA C 13 58.910 0.30 . 1 . . . A 42 GLU CA . 25638 1 498 . 1 1 42 42 GLU CB C 13 28.967 0.30 . 1 . . . A 42 GLU CB . 25638 1 499 . 1 1 42 42 GLU CG C 13 33.783 0.30 . 1 . . . A 42 GLU CG . 25638 1 500 . 1 1 42 42 GLU N N 15 119.818 0.10 . 1 . . . A 42 GLU N . 25638 1 501 . 1 1 43 43 HIS H H 1 8.437 0.02 . 1 . . . A 43 HIS H . 25638 1 502 . 1 1 43 43 HIS HA H 1 4.421 0.02 . 1 . . . A 43 HIS HA . 25638 1 503 . 1 1 43 43 HIS HB2 H 1 3.413 0.02 . 2 . . . A 43 HIS HB2 . 25638 1 504 . 1 1 43 43 HIS HB3 H 1 3.288 0.02 . 2 . . . A 43 HIS HB3 . 25638 1 505 . 1 1 43 43 HIS C C 13 177.790 0.30 . 1 . . . A 43 HIS C . 25638 1 506 . 1 1 43 43 HIS CA C 13 59.813 0.30 . 1 . . . A 43 HIS CA . 25638 1 507 . 1 1 43 43 HIS CB C 13 29.444 0.30 . 1 . . . A 43 HIS CB . 25638 1 508 . 1 1 43 43 HIS CD2 C 13 117.000 0.30 . 1 . . . A 43 HIS CD2 . 25638 1 509 . 1 1 43 43 HIS N N 15 119.964 0.10 . 1 . . . A 43 HIS N . 25638 1 510 . 1 1 44 44 THR H H 1 8.589 0.02 . 1 . . . A 44 THR H . 25638 1 511 . 1 1 44 44 THR HA H 1 3.884 0.02 . 1 . . . A 44 THR HA . 25638 1 512 . 1 1 44 44 THR HB H 1 4.372 0.02 . 1 . . . A 44 THR HB . 25638 1 513 . 1 1 44 44 THR HG21 H 1 1.345 0.02 . 1 . . . A 44 THR MG . 25638 1 514 . 1 1 44 44 THR HG22 H 1 1.345 0.02 . 1 . . . A 44 THR MG . 25638 1 515 . 1 1 44 44 THR HG23 H 1 1.345 0.02 . 1 . . . A 44 THR MG . 25638 1 516 . 1 1 44 44 THR C C 13 177.658 0.30 . 1 . . . A 44 THR C . 25638 1 517 . 1 1 44 44 THR CA C 13 67.603 0.30 . 1 . . . A 44 THR CA . 25638 1 518 . 1 1 44 44 THR CB C 13 68.981 0.30 . 1 . . . A 44 THR CB . 25638 1 519 . 1 1 44 44 THR CG2 C 13 21.845 0.30 . 1 . . . A 44 THR CG2 . 25638 1 520 . 1 1 44 44 THR N N 15 117.768 0.10 . 1 . . . A 44 THR N . 25638 1 521 . 1 1 45 45 ARG H H 1 8.255 0.02 . 1 . . . A 45 ARG H . 25638 1 522 . 1 1 45 45 ARG HA H 1 3.879 0.02 . 1 . . . A 45 ARG HA . 25638 1 523 . 1 1 45 45 ARG HB2 H 1 2.026 0.02 . 2 . . . A 45 ARG HB2 . 25638 1 524 . 1 1 45 45 ARG HB3 H 1 2.026 0.02 . 2 . . . A 45 ARG HB3 . 25638 1 525 . 1 1 45 45 ARG HG2 H 1 1.757 0.02 . 2 . . . A 45 ARG HG2 . 25638 1 526 . 1 1 45 45 ARG HG3 H 1 1.553 0.02 . 2 . . . A 45 ARG HG3 . 25638 1 527 . 1 1 45 45 ARG HD2 H 1 3.299 0.02 . 2 . . . A 45 ARG HD2 . 25638 1 528 . 1 1 45 45 ARG HD3 H 1 3.299 0.02 . 2 . . . A 45 ARG HD3 . 25638 1 529 . 1 1 45 45 ARG C C 13 177.467 0.30 . 1 . . . A 45 ARG C . 25638 1 530 . 1 1 45 45 ARG CA C 13 60.859 0.30 . 1 . . . A 45 ARG CA . 25638 1 531 . 1 1 45 45 ARG CB C 13 30.716 0.30 . 1 . . . A 45 ARG CB . 25638 1 532 . 1 1 45 45 ARG CG C 13 28.136 0.30 . 1 . . . A 45 ARG CG . 25638 1 533 . 1 1 45 45 ARG CD C 13 43.635 0.30 . 1 . . . A 45 ARG CD . 25638 1 534 . 1 1 45 45 ARG N N 15 121.750 0.10 . 1 . . . A 45 ARG N . 25638 1 535 . 1 1 46 46 GLN H H 1 8.328 0.02 . 1 . . . A 46 GLN H . 25638 1 536 . 1 1 46 46 GLN HA H 1 4.024 0.02 . 1 . . . A 46 GLN HA . 25638 1 537 . 1 1 46 46 GLN HB2 H 1 2.186 0.02 . 2 . . . A 46 GLN HB2 . 25638 1 538 . 1 1 46 46 GLN HB3 H 1 2.256 0.02 . 2 . . . A 46 GLN HB3 . 25638 1 539 . 1 1 46 46 GLN HG2 H 1 2.542 0.02 . 2 . . . A 46 GLN HG2 . 25638 1 540 . 1 1 46 46 GLN HG3 H 1 2.642 0.02 . 2 . . . A 46 GLN HG3 . 25638 1 541 . 1 1 46 46 GLN C C 13 179.668 0.30 . 1 . . . A 46 GLN C . 25638 1 542 . 1 1 46 46 GLN CA C 13 59.575 0.30 . 1 . . . A 46 GLN CA . 25638 1 543 . 1 1 46 46 GLN CB C 13 27.755 0.30 . 1 . . . A 46 GLN CB . 25638 1 544 . 1 1 46 46 GLN CG C 13 33.939 0.30 . 1 . . . A 46 GLN CG . 25638 1 545 . 1 1 46 46 GLN N N 15 116.576 0.10 . 1 . . . A 46 GLN N . 25638 1 546 . 1 1 47 47 CYS H H 1 8.029 0.02 . 1 . . . A 47 CYS H . 25638 1 547 . 1 1 47 47 CYS HA H 1 4.083 0.02 . 1 . . . A 47 CYS HA . 25638 1 548 . 1 1 47 47 CYS HB2 H 1 3.181 0.02 . 2 . . . A 47 CYS HB2 . 25638 1 549 . 1 1 47 47 CYS HB3 H 1 2.700 0.02 . 2 . . . A 47 CYS HB3 . 25638 1 550 . 1 1 47 47 CYS C C 13 175.894 0.30 . 1 . . . A 47 CYS C . 25638 1 551 . 1 1 47 47 CYS CA C 13 64.104 0.30 . 1 . . . A 47 CYS CA . 25638 1 552 . 1 1 47 47 CYS CB C 13 27.063 0.30 . 1 . . . A 47 CYS CB . 25638 1 553 . 1 1 47 47 CYS N N 15 118.569 0.10 . 1 . . . A 47 CYS N . 25638 1 554 . 1 1 48 48 LEU H H 1 8.539 0.02 . 1 . . . A 48 LEU H . 25638 1 555 . 1 1 48 48 LEU HA H 1 4.069 0.02 . 1 . . . A 48 LEU HA . 25638 1 556 . 1 1 48 48 LEU HB2 H 1 1.899 0.02 . 2 . . . A 48 LEU HB2 . 25638 1 557 . 1 1 48 48 LEU HB3 H 1 1.778 0.02 . 2 . . . A 48 LEU HB3 . 25638 1 558 . 1 1 48 48 LEU HG H 1 1.925 0.02 . 1 . . . A 48 LEU HG . 25638 1 559 . 1 1 48 48 LEU HD11 H 1 1.080 0.02 . 2 . . . A 48 LEU MD1 . 25638 1 560 . 1 1 48 48 LEU HD12 H 1 1.080 0.02 . 2 . . . A 48 LEU MD1 . 25638 1 561 . 1 1 48 48 LEU HD13 H 1 1.080 0.02 . 2 . . . A 48 LEU MD1 . 25638 1 562 . 1 1 48 48 LEU HD21 H 1 1.031 0.02 . 2 . . . A 48 LEU MD2 . 25638 1 563 . 1 1 48 48 LEU HD22 H 1 1.031 0.02 . 2 . . . A 48 LEU MD2 . 25638 1 564 . 1 1 48 48 LEU HD23 H 1 1.031 0.02 . 2 . . . A 48 LEU MD2 . 25638 1 565 . 1 1 48 48 LEU C C 13 178.489 0.30 . 1 . . . A 48 LEU C . 25638 1 566 . 1 1 48 48 LEU CA C 13 58.313 0.30 . 1 . . . A 48 LEU CA . 25638 1 567 . 1 1 48 48 LEU CB C 13 42.225 0.30 . 1 . . . A 48 LEU CB . 25638 1 568 . 1 1 48 48 LEU CG C 13 27.431 0.30 . 1 . . . A 48 LEU CG . 25638 1 569 . 1 1 48 48 LEU CD1 C 13 25.560 0.30 . 2 . . . A 48 LEU CD1 . 25638 1 570 . 1 1 48 48 LEU CD2 C 13 25.090 0.30 . 2 . . . A 48 LEU CD2 . 25638 1 571 . 1 1 48 48 LEU N N 15 119.873 0.10 . 1 . . . A 48 LEU N . 25638 1 572 . 1 1 49 49 ILE H H 1 8.516 0.02 . 1 . . . A 49 ILE H . 25638 1 573 . 1 1 49 49 ILE HA H 1 3.970 0.02 . 1 . . . A 49 ILE HA . 25638 1 574 . 1 1 49 49 ILE HB H 1 1.935 0.02 . 1 . . . A 49 ILE HB . 25638 1 575 . 1 1 49 49 ILE HG12 H 1 1.545 0.02 . 2 . . . A 49 ILE HG12 . 25638 1 576 . 1 1 49 49 ILE HG13 H 1 1.545 0.02 . 2 . . . A 49 ILE HG13 . 25638 1 577 . 1 1 49 49 ILE HG21 H 1 1.017 0.02 . 1 . . . A 49 ILE MG . 25638 1 578 . 1 1 49 49 ILE HG22 H 1 1.017 0.02 . 1 . . . A 49 ILE MG . 25638 1 579 . 1 1 49 49 ILE HG23 H 1 1.017 0.02 . 1 . . . A 49 ILE MG . 25638 1 580 . 1 1 49 49 ILE HD11 H 1 0.830 0.02 . 1 . . . A 49 ILE MD . 25638 1 581 . 1 1 49 49 ILE HD12 H 1 0.830 0.02 . 1 . . . A 49 ILE MD . 25638 1 582 . 1 1 49 49 ILE HD13 H 1 0.830 0.02 . 1 . . . A 49 ILE MD . 25638 1 583 . 1 1 49 49 ILE C C 13 176.838 0.30 . 1 . . . A 49 ILE C . 25638 1 584 . 1 1 49 49 ILE CA C 13 66.211 0.30 . 1 . . . A 49 ILE CA . 25638 1 585 . 1 1 49 49 ILE CB C 13 37.995 0.30 . 1 . . . A 49 ILE CB . 25638 1 586 . 1 1 49 49 ILE CG1 C 13 28.320 0.30 . 1 . . . A 49 ILE CG1 . 25638 1 587 . 1 1 49 49 ILE CG2 C 13 17.721 0.30 . 1 . . . A 49 ILE CG2 . 25638 1 588 . 1 1 49 49 ILE CD1 C 13 13.704 0.30 . 1 . . . A 49 ILE CD1 . 25638 1 589 . 1 1 49 49 ILE N N 15 119.523 0.10 . 1 . . . A 49 ILE N . 25638 1 590 . 1 1 50 50 LYS H H 1 7.522 0.02 . 1 . . . A 50 LYS H . 25638 1 591 . 1 1 50 50 LYS HA H 1 4.193 0.02 . 1 . . . A 50 LYS HA . 25638 1 592 . 1 1 50 50 LYS HB2 H 1 1.874 0.02 . 2 . . . A 50 LYS HB2 . 25638 1 593 . 1 1 50 50 LYS HB3 H 1 1.975 0.02 . 2 . . . A 50 LYS HB3 . 25638 1 594 . 1 1 50 50 LYS HG2 H 1 1.484 0.02 . 2 . . . A 50 LYS HG2 . 25638 1 595 . 1 1 50 50 LYS HG3 H 1 1.568 0.02 . 2 . . . A 50 LYS HG3 . 25638 1 596 . 1 1 50 50 LYS HD2 H 1 1.617 0.02 . 2 . . . A 50 LYS HD2 . 25638 1 597 . 1 1 50 50 LYS HD3 H 1 1.617 0.02 . 2 . . . A 50 LYS HD3 . 25638 1 598 . 1 1 50 50 LYS C C 13 180.041 0.30 . 1 . . . A 50 LYS C . 25638 1 599 . 1 1 50 50 LYS CA C 13 59.547 0.30 . 1 . . . A 50 LYS CA . 25638 1 600 . 1 1 50 50 LYS CB C 13 32.590 0.30 . 1 . . . A 50 LYS CB . 25638 1 601 . 1 1 50 50 LYS CG C 13 25.100 0.30 . 1 . . . A 50 LYS CG . 25638 1 602 . 1 1 50 50 LYS CD C 13 29.426 0.30 . 1 . . . A 50 LYS CD . 25638 1 603 . 1 1 50 50 LYS N N 15 118.622 0.10 . 1 . . . A 50 LYS N . 25638 1 604 . 1 1 51 51 ILE H H 1 8.107 0.02 . 1 . . . A 51 ILE H . 25638 1 605 . 1 1 51 51 ILE HA H 1 3.449 0.02 . 1 . . . A 51 ILE HA . 25638 1 606 . 1 1 51 51 ILE HB H 1 1.823 0.02 . 1 . . . A 51 ILE HB . 25638 1 607 . 1 1 51 51 ILE HG12 H 1 1.004 0.02 . 2 . . . A 51 ILE HG12 . 25638 1 608 . 1 1 51 51 ILE HG13 H 1 1.004 0.02 . 2 . . . A 51 ILE HG13 . 25638 1 609 . 1 1 51 51 ILE HG21 H 1 0.585 0.02 . 1 . . . A 51 ILE MG . 25638 1 610 . 1 1 51 51 ILE HG22 H 1 0.585 0.02 . 1 . . . A 51 ILE MG . 25638 1 611 . 1 1 51 51 ILE HG23 H 1 0.585 0.02 . 1 . . . A 51 ILE MG . 25638 1 612 . 1 1 51 51 ILE HD11 H 1 0.732 0.02 . 1 . . . A 51 ILE MD . 25638 1 613 . 1 1 51 51 ILE HD12 H 1 0.732 0.02 . 1 . . . A 51 ILE MD . 25638 1 614 . 1 1 51 51 ILE HD13 H 1 0.732 0.02 . 1 . . . A 51 ILE MD . 25638 1 615 . 1 1 51 51 ILE C C 13 177.034 0.30 . 1 . . . A 51 ILE C . 25638 1 616 . 1 1 51 51 ILE CA C 13 65.767 0.30 . 1 . . . A 51 ILE CA . 25638 1 617 . 1 1 51 51 ILE CB C 13 38.980 0.30 . 1 . . . A 51 ILE CB . 25638 1 618 . 1 1 51 51 ILE CG1 C 13 26.289 0.30 . 1 . . . A 51 ILE CG1 . 25638 1 619 . 1 1 51 51 ILE CG2 C 13 19.065 0.30 . 1 . . . A 51 ILE CG2 . 25638 1 620 . 1 1 51 51 ILE CD1 C 13 15.369 0.30 . 1 . . . A 51 ILE CD1 . 25638 1 621 . 1 1 51 51 ILE N N 15 119.288 0.10 . 1 . . . A 51 ILE N . 25638 1 622 . 1 1 52 52 GLY H H 1 9.224 0.02 . 1 . . . A 52 GLY H . 25638 1 623 . 1 1 52 52 GLY HA2 H 1 2.458 0.02 . 2 . . . A 52 GLY HA2 . 25638 1 624 . 1 1 52 52 GLY HA3 H 1 3.208 0.02 . 2 . . . A 52 GLY HA3 . 25638 1 625 . 1 1 52 52 GLY C C 13 176.818 0.30 . 1 . . . A 52 GLY C . 25638 1 626 . 1 1 52 52 GLY CA C 13 47.064 0.30 . 1 . . . A 52 GLY CA . 25638 1 627 . 1 1 52 52 GLY N N 15 108.211 0.10 . 1 . . . A 52 GLY N . 25638 1 628 . 1 1 53 53 ASP H H 1 9.091 0.02 . 1 . . . A 53 ASP H . 25638 1 629 . 1 1 53 53 ASP HA H 1 4.534 0.02 . 1 . . . A 53 ASP HA . 25638 1 630 . 1 1 53 53 ASP HB2 H 1 3.055 0.02 . 2 . . . A 53 ASP HB2 . 25638 1 631 . 1 1 53 53 ASP HB3 H 1 2.748 0.02 . 2 . . . A 53 ASP HB3 . 25638 1 632 . 1 1 53 53 ASP C C 13 178.626 0.30 . 1 . . . A 53 ASP C . 25638 1 633 . 1 1 53 53 ASP CA C 13 57.628 0.30 . 1 . . . A 53 ASP CA . 25638 1 634 . 1 1 53 53 ASP CB C 13 39.282 0.30 . 1 . . . A 53 ASP CB . 25638 1 635 . 1 1 53 53 ASP N N 15 124.013 0.10 . 1 . . . A 53 ASP N . 25638 1 636 . 1 1 54 54 HIS H H 1 7.664 0.02 . 1 . . . A 54 HIS H . 25638 1 637 . 1 1 54 54 HIS HA H 1 4.406 0.02 . 1 . . . A 54 HIS HA . 25638 1 638 . 1 1 54 54 HIS HB2 H 1 3.188 0.02 . 2 . . . A 54 HIS HB2 . 25638 1 639 . 1 1 54 54 HIS HB3 H 1 3.042 0.02 . 2 . . . A 54 HIS HB3 . 25638 1 640 . 1 1 54 54 HIS C C 13 177.632 0.30 . 1 . . . A 54 HIS C . 25638 1 641 . 1 1 54 54 HIS CA C 13 60.460 0.30 . 1 . . . A 54 HIS CA . 25638 1 642 . 1 1 54 54 HIS CB C 13 31.567 0.30 . 1 . . . A 54 HIS CB . 25638 1 643 . 1 1 54 54 HIS N N 15 121.598 0.10 . 1 . . . A 54 HIS N . 25638 1 644 . 1 1 55 55 ILE H H 1 8.255 0.02 . 1 . . . A 55 ILE H . 25638 1 645 . 1 1 55 55 ILE HA H 1 3.184 0.02 . 1 . . . A 55 ILE HA . 25638 1 646 . 1 1 55 55 ILE HB H 1 1.679 0.02 . 1 . . . A 55 ILE HB . 25638 1 647 . 1 1 55 55 ILE HG12 H 1 1.498 0.02 . 2 . . . A 55 ILE HG12 . 25638 1 648 . 1 1 55 55 ILE HG13 H 1 0.592 0.02 . 2 . . . A 55 ILE HG13 . 25638 1 649 . 1 1 55 55 ILE HG21 H 1 0.673 0.02 . 1 . . . A 55 ILE MG . 25638 1 650 . 1 1 55 55 ILE HG22 H 1 0.673 0.02 . 1 . . . A 55 ILE MG . 25638 1 651 . 1 1 55 55 ILE HG23 H 1 0.673 0.02 . 1 . . . A 55 ILE MG . 25638 1 652 . 1 1 55 55 ILE HD11 H 1 -0.864 0.02 . 1 . . . A 55 ILE MD . 25638 1 653 . 1 1 55 55 ILE HD12 H 1 -0.864 0.02 . 1 . . . A 55 ILE MD . 25638 1 654 . 1 1 55 55 ILE HD13 H 1 -0.864 0.02 . 1 . . . A 55 ILE MD . 25638 1 655 . 1 1 55 55 ILE C C 13 176.838 0.30 . 1 . . . A 55 ILE C . 25638 1 656 . 1 1 55 55 ILE CA C 13 67.677 0.30 . 1 . . . A 55 ILE CA . 25638 1 657 . 1 1 55 55 ILE CB C 13 37.244 0.30 . 1 . . . A 55 ILE CB . 25638 1 658 . 1 1 55 55 ILE CG1 C 13 30.129 0.30 . 1 . . . A 55 ILE CG1 . 25638 1 659 . 1 1 55 55 ILE CG2 C 13 15.917 0.30 . 1 . . . A 55 ILE CG2 . 25638 1 660 . 1 1 55 55 ILE CD1 C 13 10.586 0.30 . 1 . . . A 55 ILE CD1 . 25638 1 661 . 1 1 55 55 ILE N N 15 121.892 0.10 . 1 . . . A 55 ILE N . 25638 1 662 . 1 1 56 56 THR H H 1 8.047 0.02 . 1 . . . A 56 THR H . 25638 1 663 . 1 1 56 56 THR HA H 1 3.759 0.02 . 1 . . . A 56 THR HA . 25638 1 664 . 1 1 56 56 THR HB H 1 4.534 0.02 . 1 . . . A 56 THR HB . 25638 1 665 . 1 1 56 56 THR HG21 H 1 1.313 0.02 . 1 . . . A 56 THR MG . 25638 1 666 . 1 1 56 56 THR HG22 H 1 1.313 0.02 . 1 . . . A 56 THR MG . 25638 1 667 . 1 1 56 56 THR HG23 H 1 1.313 0.02 . 1 . . . A 56 THR MG . 25638 1 668 . 1 1 56 56 THR C C 13 178.845 0.30 . 1 . . . A 56 THR C . 25638 1 669 . 1 1 56 56 THR CA C 13 67.551 0.30 . 1 . . . A 56 THR CA . 25638 1 670 . 1 1 56 56 THR CB C 13 68.756 0.30 . 1 . . . A 56 THR CB . 25638 1 671 . 1 1 56 56 THR CG2 C 13 21.891 0.30 . 1 . . . A 56 THR CG2 . 25638 1 672 . 1 1 56 56 THR N N 15 115.458 0.10 . 1 . . . A 56 THR N . 25638 1 673 . 1 1 57 57 GLU H H 1 7.591 0.02 . 1 . . . A 57 GLU H . 25638 1 674 . 1 1 57 57 GLU HA H 1 3.954 0.02 . 1 . . . A 57 GLU HA . 25638 1 675 . 1 1 57 57 GLU HB2 H 1 2.088 0.02 . 2 . . . A 57 GLU HB2 . 25638 1 676 . 1 1 57 57 GLU HB3 H 1 2.088 0.02 . 2 . . . A 57 GLU HB3 . 25638 1 677 . 1 1 57 57 GLU HG2 H 1 2.395 0.02 . 2 . . . A 57 GLU HG2 . 25638 1 678 . 1 1 57 57 GLU HG3 H 1 2.305 0.02 . 2 . . . A 57 GLU HG3 . 25638 1 679 . 1 1 57 57 GLU C C 13 179.629 0.30 . 1 . . . A 57 GLU C . 25638 1 680 . 1 1 57 57 GLU CA C 13 59.379 0.30 . 1 . . . A 57 GLU CA . 25638 1 681 . 1 1 57 57 GLU CB C 13 28.740 0.30 . 1 . . . A 57 GLU CB . 25638 1 682 . 1 1 57 57 GLU CG C 13 35.438 0.30 . 1 . . . A 57 GLU CG . 25638 1 683 . 1 1 57 57 GLU N N 15 121.544 0.10 . 1 . . . A 57 GLU N . 25638 1 684 . 1 1 58 58 CYS H H 1 8.206 0.02 . 1 . . . A 58 CYS H . 25638 1 685 . 1 1 58 58 CYS HA H 1 3.940 0.02 . 1 . . . A 58 CYS HA . 25638 1 686 . 1 1 58 58 CYS HB2 H 1 2.376 0.02 . 2 . . . A 58 CYS HB2 . 25638 1 687 . 1 1 58 58 CYS HB3 H 1 3.079 0.02 . 2 . . . A 58 CYS HB3 . 25638 1 688 . 1 1 58 58 CYS C C 13 176.739 0.30 . 1 . . . A 58 CYS C . 25638 1 689 . 1 1 58 58 CYS CA C 13 63.222 0.30 . 1 . . . A 58 CYS CA . 25638 1 690 . 1 1 58 58 CYS CB C 13 26.562 0.30 . 1 . . . A 58 CYS CB . 25638 1 691 . 1 1 58 58 CYS N N 15 118.970 0.10 . 1 . . . A 58 CYS N . 25638 1 692 . 1 1 59 59 LEU H H 1 7.726 0.02 . 1 . . . A 59 LEU H . 25638 1 693 . 1 1 59 59 LEU HA H 1 4.251 0.02 . 1 . . . A 59 LEU HA . 25638 1 694 . 1 1 59 59 LEU HB2 H 1 1.968 0.02 . 2 . . . A 59 LEU HB2 . 25638 1 695 . 1 1 59 59 LEU HB3 H 1 1.723 0.02 . 2 . . . A 59 LEU HB3 . 25638 1 696 . 1 1 59 59 LEU HG H 1 1.789 0.02 . 1 . . . A 59 LEU HG . 25638 1 697 . 1 1 59 59 LEU HD11 H 1 0.899 0.02 . 2 . . . A 59 LEU MD1 . 25638 1 698 . 1 1 59 59 LEU HD12 H 1 0.899 0.02 . 2 . . . A 59 LEU MD1 . 25638 1 699 . 1 1 59 59 LEU HD13 H 1 0.899 0.02 . 2 . . . A 59 LEU MD1 . 25638 1 700 . 1 1 59 59 LEU HD21 H 1 0.929 0.02 . 2 . . . A 59 LEU MD2 . 25638 1 701 . 1 1 59 59 LEU HD22 H 1 0.929 0.02 . 2 . . . A 59 LEU MD2 . 25638 1 702 . 1 1 59 59 LEU HD23 H 1 0.929 0.02 . 2 . . . A 59 LEU MD2 . 25638 1 703 . 1 1 59 59 LEU C C 13 177.683 0.30 . 1 . . . A 59 LEU C . 25638 1 704 . 1 1 59 59 LEU CA C 13 56.039 0.30 . 1 . . . A 59 LEU CA . 25638 1 705 . 1 1 59 59 LEU CB C 13 41.037 0.30 . 1 . . . A 59 LEU CB . 25638 1 706 . 1 1 59 59 LEU CG C 13 27.191 0.30 . 1 . . . A 59 LEU CG . 25638 1 707 . 1 1 59 59 LEU CD1 C 13 23.270 0.30 . 2 . . . A 59 LEU CD1 . 25638 1 708 . 1 1 59 59 LEU CD2 C 13 25.375 0.30 . 2 . . . A 59 LEU CD2 . 25638 1 709 . 1 1 59 59 LEU N N 15 116.873 0.10 . 1 . . . A 59 LEU N . 25638 1 710 . 1 1 60 60 LYS H H 1 7.298 0.02 . 1 . . . A 60 LYS H . 25638 1 711 . 1 1 60 60 LYS HA H 1 4.131 0.02 . 1 . . . A 60 LYS HA . 25638 1 712 . 1 1 60 60 LYS HB2 H 1 1.890 0.02 . 2 . . . A 60 LYS HB2 . 25638 1 713 . 1 1 60 60 LYS HB3 H 1 1.729 0.02 . 2 . . . A 60 LYS HB3 . 25638 1 714 . 1 1 60 60 LYS HG2 H 1 1.419 0.02 . 2 . . . A 60 LYS HG2 . 25638 1 715 . 1 1 60 60 LYS HG3 H 1 1.419 0.02 . 2 . . . A 60 LYS HG3 . 25638 1 716 . 1 1 60 60 LYS HD2 H 1 1.681 0.02 . 2 . . . A 60 LYS HD2 . 25638 1 717 . 1 1 60 60 LYS HD3 H 1 1.681 0.02 . 2 . . . A 60 LYS HD3 . 25638 1 718 . 1 1 60 60 LYS C C 13 176.562 0.30 . 1 . . . A 60 LYS C . 25638 1 719 . 1 1 60 60 LYS CA C 13 58.537 0.30 . 1 . . . A 60 LYS CA . 25638 1 720 . 1 1 60 60 LYS CB C 13 32.390 0.30 . 1 . . . A 60 LYS CB . 25638 1 721 . 1 1 60 60 LYS CG C 13 25.826 0.30 . 1 . . . A 60 LYS CG . 25638 1 722 . 1 1 60 60 LYS CD C 13 29.650 0.30 . 1 . . . A 60 LYS CD . 25638 1 723 . 1 1 60 60 LYS N N 15 117.911 0.10 . 1 . . . A 60 LYS N . 25638 1 724 . 1 1 61 61 GLU H H 1 7.084 0.02 . 1 . . . A 61 GLU H . 25638 1 725 . 1 1 61 61 GLU HA H 1 3.889 0.02 . 1 . . . A 61 GLU HA . 25638 1 726 . 1 1 61 61 GLU HB2 H 1 1.366 0.02 . 2 . . . A 61 GLU HB2 . 25638 1 727 . 1 1 61 61 GLU HB3 H 1 1.507 0.02 . 2 . . . A 61 GLU HB3 . 25638 1 728 . 1 1 61 61 GLU HG2 H 1 1.692 0.02 . 2 . . . A 61 GLU HG2 . 25638 1 729 . 1 1 61 61 GLU HG3 H 1 1.692 0.02 . 2 . . . A 61 GLU HG3 . 25638 1 730 . 1 1 61 61 GLU C C 13 175.226 0.30 . 1 . . . A 61 GLU C . 25638 1 731 . 1 1 61 61 GLU CA C 13 57.051 0.30 . 1 . . . A 61 GLU CA . 25638 1 732 . 1 1 61 61 GLU CB C 13 29.734 0.30 . 1 . . . A 61 GLU CB . 25638 1 733 . 1 1 61 61 GLU CG C 13 35.695 0.30 . 1 . . . A 61 GLU CG . 25638 1 734 . 1 1 61 61 GLU N N 15 115.507 0.10 . 1 . . . A 61 GLU N . 25638 1 735 . 1 1 62 62 TYR H H 1 7.387 0.02 . 1 . . . A 62 TYR H . 25638 1 736 . 1 1 62 62 TYR HA H 1 4.706 0.02 . 1 . . . A 62 TYR HA . 25638 1 737 . 1 1 62 62 TYR HB2 H 1 2.871 0.02 . 2 . . . A 62 TYR HB2 . 25638 1 738 . 1 1 62 62 TYR HB3 H 1 3.047 0.02 . 2 . . . A 62 TYR HB3 . 25638 1 739 . 1 1 62 62 TYR HD1 H 1 7.005 0.02 . 3 . . . A 62 TYR HD1 . 25638 1 740 . 1 1 62 62 TYR HD2 H 1 7.005 0.02 . 3 . . . A 62 TYR HD2 . 25638 1 741 . 1 1 62 62 TYR HE1 H 1 6.275 0.02 . 3 . . . A 62 TYR HE1 . 25638 1 742 . 1 1 62 62 TYR HE2 H 1 6.275 0.02 . 3 . . . A 62 TYR HE2 . 25638 1 743 . 1 1 62 62 TYR C C 13 174.585 0.30 . 1 . . . A 62 TYR C . 25638 1 744 . 1 1 62 62 TYR CA C 13 57.147 0.30 . 1 . . . A 62 TYR CA . 25638 1 745 . 1 1 62 62 TYR CB C 13 40.385 0.30 . 1 . . . A 62 TYR CB . 25638 1 746 . 1 1 62 62 TYR CD2 C 13 132.271 0.30 . 3 . . . A 62 TYR CD2 . 25638 1 747 . 1 1 62 62 TYR CE2 C 13 117.607 0.30 . 3 . . . A 62 TYR CE2 . 25638 1 748 . 1 1 62 62 TYR N N 15 118.581 0.10 . 1 . . . A 62 TYR N . 25638 1 749 . 1 1 63 63 THR H H 1 8.471 0.02 . 1 . . . A 63 THR H . 25638 1 750 . 1 1 63 63 THR HA H 1 4.507 0.02 . 1 . . . A 63 THR HA . 25638 1 751 . 1 1 63 63 THR HB H 1 4.363 0.02 . 1 . . . A 63 THR HB . 25638 1 752 . 1 1 63 63 THR HG21 H 1 1.189 0.02 . 1 . . . A 63 THR MG . 25638 1 753 . 1 1 63 63 THR HG22 H 1 1.189 0.02 . 1 . . . A 63 THR MG . 25638 1 754 . 1 1 63 63 THR HG23 H 1 1.189 0.02 . 1 . . . A 63 THR MG . 25638 1 755 . 1 1 63 63 THR C C 13 174.538 0.30 . 1 . . . A 63 THR C . 25638 1 756 . 1 1 63 63 THR CA C 13 61.684 0.30 . 1 . . . A 63 THR CA . 25638 1 757 . 1 1 63 63 THR CB C 13 70.092 0.30 . 1 . . . A 63 THR CB . 25638 1 758 . 1 1 63 63 THR CG2 C 13 21.652 0.30 . 1 . . . A 63 THR CG2 . 25638 1 759 . 1 1 63 63 THR N N 15 109.064 0.10 . 1 . . . A 63 THR N . 25638 1 760 . 1 1 64 64 ASN H H 1 7.993 0.02 . 1 . . . A 64 ASN H . 25638 1 761 . 1 1 64 64 ASN HA H 1 5.171 0.02 . 1 . . . A 64 ASN HA . 25638 1 762 . 1 1 64 64 ASN HB2 H 1 3.011 0.02 . 2 . . . A 64 ASN HB2 . 25638 1 763 . 1 1 64 64 ASN HB3 H 1 3.011 0.02 . 2 . . . A 64 ASN HB3 . 25638 1 764 . 1 1 64 64 ASN HD21 H 1 7.925 0.02 . 2 . . . A 64 ASN HD21 . 25638 1 765 . 1 1 64 64 ASN HD22 H 1 7.321 0.02 . 2 . . . A 64 ASN HD22 . 25638 1 766 . 1 1 64 64 ASN C C 13 174.145 0.30 . 1 . . . A 64 ASN C . 25638 1 767 . 1 1 64 64 ASN CA C 13 51.137 0.30 . 1 . . . A 64 ASN CA . 25638 1 768 . 1 1 64 64 ASN CB C 13 39.680 0.30 . 1 . . . A 64 ASN CB . 25638 1 769 . 1 1 64 64 ASN N N 15 123.204 0.10 . 1 . . . A 64 ASN N . 25638 1 770 . 1 1 64 64 ASN ND2 N 15 114.680 0.10 . 1 . . . A 64 ASN ND2 . 25638 1 771 . 1 1 65 65 PRO HA H 1 4.270 0.02 . 1 . . . A 65 PRO HA . 25638 1 772 . 1 1 65 65 PRO HB2 H 1 2.472 0.02 . 2 . . . A 65 PRO HB2 . 25638 1 773 . 1 1 65 65 PRO HB3 H 1 2.257 0.02 . 2 . . . A 65 PRO HB3 . 25638 1 774 . 1 1 65 65 PRO HG2 H 1 2.104 0.02 . 2 . . . A 65 PRO HG2 . 25638 1 775 . 1 1 65 65 PRO HG3 H 1 2.163 0.02 . 2 . . . A 65 PRO HG3 . 25638 1 776 . 1 1 65 65 PRO HD2 H 1 3.956 0.02 . 2 . . . A 65 PRO HD2 . 25638 1 777 . 1 1 65 65 PRO HD3 H 1 4.210 0.02 . 2 . . . A 65 PRO HD3 . 25638 1 778 . 1 1 65 65 PRO C C 13 178.529 0.30 . 1 . . . A 65 PRO C . 25638 1 779 . 1 1 65 65 PRO CA C 13 65.692 0.30 . 1 . . . A 65 PRO CA . 25638 1 780 . 1 1 65 65 PRO CB C 13 32.399 0.30 . 1 . . . A 65 PRO CB . 25638 1 781 . 1 1 65 65 PRO CG C 13 27.670 0.30 . 1 . . . A 65 PRO CG . 25638 1 782 . 1 1 65 65 PRO CD C 13 51.293 0.30 . 1 . . . A 65 PRO CD . 25638 1 783 . 1 1 66 66 GLU H H 1 8.297 0.02 . 1 . . . A 66 GLU H . 25638 1 784 . 1 1 66 66 GLU HA H 1 4.132 0.02 . 1 . . . A 66 GLU HA . 25638 1 785 . 1 1 66 66 GLU HB2 H 1 2.097 0.02 . 2 . . . A 66 GLU HB2 . 25638 1 786 . 1 1 66 66 GLU HB3 H 1 2.097 0.02 . 2 . . . A 66 GLU HB3 . 25638 1 787 . 1 1 66 66 GLU HG2 H 1 2.350 0.02 . 2 . . . A 66 GLU HG2 . 25638 1 788 . 1 1 66 66 GLU HG3 H 1 2.350 0.02 . 2 . . . A 66 GLU HG3 . 25638 1 789 . 1 1 66 66 GLU C C 13 179.059 0.30 . 1 . . . A 66 GLU C . 25638 1 790 . 1 1 66 66 GLU CA C 13 59.374 0.30 . 1 . . . A 66 GLU CA . 25638 1 791 . 1 1 66 66 GLU CB C 13 28.803 0.30 . 1 . . . A 66 GLU CB . 25638 1 792 . 1 1 66 66 GLU CG C 13 36.471 0.30 . 1 . . . A 66 GLU CG . 25638 1 793 . 1 1 66 66 GLU N N 15 118.060 0.10 . 1 . . . A 66 GLU N . 25638 1 794 . 1 1 67 67 GLN H H 1 7.738 0.02 . 1 . . . A 67 GLN H . 25638 1 795 . 1 1 67 67 GLN HA H 1 4.167 0.02 . 1 . . . A 67 GLN HA . 25638 1 796 . 1 1 67 67 GLN HB2 H 1 2.060 0.02 . 2 . . . A 67 GLN HB2 . 25638 1 797 . 1 1 67 67 GLN HB3 H 1 2.252 0.02 . 2 . . . A 67 GLN HB3 . 25638 1 798 . 1 1 67 67 GLN HG2 H 1 2.293 0.02 . 2 . . . A 67 GLN HG2 . 25638 1 799 . 1 1 67 67 GLN HG3 H 1 2.494 0.02 . 2 . . . A 67 GLN HG3 . 25638 1 800 . 1 1 67 67 GLN HE21 H 1 7.654 0.02 . 2 . . . A 67 GLN HE21 . 25638 1 801 . 1 1 67 67 GLN HE22 H 1 7.080 0.02 . 2 . . . A 67 GLN HE22 . 25638 1 802 . 1 1 67 67 GLN C C 13 177.722 0.30 . 1 . . . A 67 GLN C . 25638 1 803 . 1 1 67 67 GLN CA C 13 58.828 0.30 . 1 . . . A 67 GLN CA . 25638 1 804 . 1 1 67 67 GLN CB C 13 29.243 0.30 . 1 . . . A 67 GLN CB . 25638 1 805 . 1 1 67 67 GLN CG C 13 34.766 0.30 . 1 . . . A 67 GLN CG . 25638 1 806 . 1 1 67 67 GLN N N 15 120.531 0.10 . 1 . . . A 67 GLN N . 25638 1 807 . 1 1 67 67 GLN NE2 N 15 112.918 0.10 . 1 . . . A 67 GLN NE2 . 25638 1 808 . 1 1 68 68 ILE H H 1 7.956 0.02 . 1 . . . A 68 ILE H . 25638 1 809 . 1 1 68 68 ILE HA H 1 3.548 0.02 . 1 . . . A 68 ILE HA . 25638 1 810 . 1 1 68 68 ILE HB H 1 1.815 0.02 . 1 . . . A 68 ILE HB . 25638 1 811 . 1 1 68 68 ILE HG12 H 1 1.141 0.02 . 2 . . . A 68 ILE HG12 . 25638 1 812 . 1 1 68 68 ILE HG13 H 1 1.141 0.02 . 2 . . . A 68 ILE HG13 . 25638 1 813 . 1 1 68 68 ILE HG21 H 1 0.793 0.02 . 1 . . . A 68 ILE MG . 25638 1 814 . 1 1 68 68 ILE HG22 H 1 0.793 0.02 . 1 . . . A 68 ILE MG . 25638 1 815 . 1 1 68 68 ILE HG23 H 1 0.793 0.02 . 1 . . . A 68 ILE MG . 25638 1 816 . 1 1 68 68 ILE HD11 H 1 0.981 0.02 . 1 . . . A 68 ILE MD . 25638 1 817 . 1 1 68 68 ILE HD12 H 1 0.981 0.02 . 1 . . . A 68 ILE MD . 25638 1 818 . 1 1 68 68 ILE HD13 H 1 0.981 0.02 . 1 . . . A 68 ILE MD . 25638 1 819 . 1 1 68 68 ILE C C 13 176.759 0.30 . 1 . . . A 68 ILE C . 25638 1 820 . 1 1 68 68 ILE CA C 13 66.597 0.30 . 1 . . . A 68 ILE CA . 25638 1 821 . 1 1 68 68 ILE CB C 13 38.939 0.30 . 1 . . . A 68 ILE CB . 25638 1 822 . 1 1 68 68 ILE CG1 C 13 26.453 0.30 . 1 . . . A 68 ILE CG1 . 25638 1 823 . 1 1 68 68 ILE CG2 C 13 18.129 0.30 . 1 . . . A 68 ILE CG2 . 25638 1 824 . 1 1 68 68 ILE CD1 C 13 13.894 0.30 . 1 . . . A 68 ILE CD1 . 25638 1 825 . 1 1 68 68 ILE N N 15 119.632 0.10 . 1 . . . A 68 ILE N . 25638 1 826 . 1 1 69 69 LYS H H 1 7.665 0.02 . 1 . . . A 69 LYS H . 25638 1 827 . 1 1 69 69 LYS HA H 1 3.929 0.02 . 1 . . . A 69 LYS HA . 25638 1 828 . 1 1 69 69 LYS HB2 H 1 1.902 0.02 . 2 . . . A 69 LYS HB2 . 25638 1 829 . 1 1 69 69 LYS HB3 H 1 1.902 0.02 . 2 . . . A 69 LYS HB3 . 25638 1 830 . 1 1 69 69 LYS C C 13 178.921 0.30 . 1 . . . A 69 LYS C . 25638 1 831 . 1 1 69 69 LYS CA C 13 59.921 0.30 . 1 . . . A 69 LYS CA . 25638 1 832 . 1 1 69 69 LYS CB C 13 32.607 0.30 . 1 . . . A 69 LYS CB . 25638 1 833 . 1 1 69 69 LYS N N 15 117.236 0.10 . 1 . . . A 69 LYS N . 25638 1 834 . 1 1 70 70 GLN H H 1 7.787 0.02 . 1 . . . A 70 GLN H . 25638 1 835 . 1 1 70 70 GLN HA H 1 3.855 0.02 . 1 . . . A 70 GLN HA . 25638 1 836 . 1 1 70 70 GLN HB2 H 1 1.861 0.02 . 2 . . . A 70 GLN HB2 . 25638 1 837 . 1 1 70 70 GLN HB3 H 1 1.884 0.02 . 2 . . . A 70 GLN HB3 . 25638 1 838 . 1 1 70 70 GLN HG2 H 1 1.861 0.02 . 2 . . . A 70 GLN HG2 . 25638 1 839 . 1 1 70 70 GLN HG3 H 1 1.931 0.02 . 2 . . . A 70 GLN HG3 . 25638 1 840 . 1 1 70 70 GLN HE21 H 1 7.063 0.02 . 2 . . . A 70 GLN HE21 . 25638 1 841 . 1 1 70 70 GLN HE22 H 1 6.789 0.02 . 2 . . . A 70 GLN HE22 . 25638 1 842 . 1 1 70 70 GLN C C 13 177.781 0.30 . 1 . . . A 70 GLN C . 25638 1 843 . 1 1 70 70 GLN CA C 13 58.252 0.30 . 1 . . . A 70 GLN CA . 25638 1 844 . 1 1 70 70 GLN CB C 13 28.677 0.30 . 1 . . . A 70 GLN CB . 25638 1 845 . 1 1 70 70 GLN CG C 13 33.102 0.30 . 1 . . . A 70 GLN CG . 25638 1 846 . 1 1 70 70 GLN N N 15 118.748 0.10 . 1 . . . A 70 GLN N . 25638 1 847 . 1 1 70 70 GLN NE2 N 15 112.600 0.10 . 1 . . . A 70 GLN NE2 . 25638 1 848 . 1 1 71 71 TRP H H 1 8.374 0.02 . 1 . . . A 71 TRP H . 25638 1 849 . 1 1 71 71 TRP HA H 1 4.043 0.02 . 1 . . . A 71 TRP HA . 25638 1 850 . 1 1 71 71 TRP HB2 H 1 2.788 0.02 . 2 . . . A 71 TRP HB2 . 25638 1 851 . 1 1 71 71 TRP HB3 H 1 2.963 0.02 . 2 . . . A 71 TRP HB3 . 25638 1 852 . 1 1 71 71 TRP HD1 H 1 6.622 0.02 . 1 . . . A 71 TRP HD1 . 25638 1 853 . 1 1 71 71 TRP HE1 H 1 10.081 0.02 . 1 . . . A 71 TRP HE1 . 25638 1 854 . 1 1 71 71 TRP HE3 H 1 7.485 0.02 . 1 . . . A 71 TRP HE3 . 25638 1 855 . 1 1 71 71 TRP HZ2 H 1 7.570 0.02 . 1 . . . A 71 TRP HZ2 . 25638 1 856 . 1 1 71 71 TRP HZ3 H 1 7.213 0.02 . 1 . . . A 71 TRP HZ3 . 25638 1 857 . 1 1 71 71 TRP HH2 H 1 7.164 0.02 . 1 . . . A 71 TRP HH2 . 25638 1 858 . 1 1 71 71 TRP C C 13 177.329 0.30 . 1 . . . A 71 TRP C . 25638 1 859 . 1 1 71 71 TRP CA C 13 61.949 0.30 . 1 . . . A 71 TRP CA . 25638 1 860 . 1 1 71 71 TRP CB C 13 28.244 0.30 . 1 . . . A 71 TRP CB . 25638 1 861 . 1 1 71 71 TRP CD1 C 13 127.781 0.30 . 1 . . . A 71 TRP CD1 . 25638 1 862 . 1 1 71 71 TRP CE3 C 13 118.339 0.30 . 1 . . . A 71 TRP CE3 . 25638 1 863 . 1 1 71 71 TRP CZ2 C 13 115.568 0.30 . 1 . . . A 71 TRP CZ2 . 25638 1 864 . 1 1 71 71 TRP CZ3 C 13 121.373 0.30 . 1 . . . A 71 TRP CZ3 . 25638 1 865 . 1 1 71 71 TRP CH2 C 13 124.177 0.30 . 1 . . . A 71 TRP CH2 . 25638 1 866 . 1 1 71 71 TRP N N 15 118.896 0.10 . 1 . . . A 71 TRP N . 25638 1 867 . 1 1 71 71 TRP NE1 N 15 129.398 0.10 . 1 . . . A 71 TRP NE1 . 25638 1 868 . 1 1 72 72 ARG H H 1 8.808 0.02 . 1 . . . A 72 ARG H . 25638 1 869 . 1 1 72 72 ARG HA H 1 3.819 0.02 . 1 . . . A 72 ARG HA . 25638 1 870 . 1 1 72 72 ARG HB2 H 1 2.043 0.02 . 2 . . . A 72 ARG HB2 . 25638 1 871 . 1 1 72 72 ARG HB3 H 1 2.043 0.02 . 2 . . . A 72 ARG HB3 . 25638 1 872 . 1 1 72 72 ARG C C 13 177.211 0.30 . 1 . . . A 72 ARG C . 25638 1 873 . 1 1 72 72 ARG CA C 13 61.032 0.30 . 1 . . . A 72 ARG CA . 25638 1 874 . 1 1 72 72 ARG CB C 13 30.269 0.30 . 1 . . . A 72 ARG CB . 25638 1 875 . 1 1 72 72 ARG N N 15 122.698 0.10 . 1 . . . A 72 ARG N . 25638 1 876 . 1 1 73 73 LYS H H 1 7.380 0.02 . 1 . . . A 73 LYS H . 25638 1 877 . 1 1 73 73 LYS HA H 1 4.180 0.02 . 1 . . . A 73 LYS HA . 25638 1 878 . 1 1 73 73 LYS HB2 H 1 1.902 0.02 . 2 . . . A 73 LYS HB2 . 25638 1 879 . 1 1 73 73 LYS HB3 H 1 1.902 0.02 . 2 . . . A 73 LYS HB3 . 25638 1 880 . 1 1 73 73 LYS HG2 H 1 1.427 0.02 . 2 . . . A 73 LYS HG2 . 25638 1 881 . 1 1 73 73 LYS HG3 H 1 1.427 0.02 . 2 . . . A 73 LYS HG3 . 25638 1 882 . 1 1 73 73 LYS HD2 H 1 1.682 0.02 . 2 . . . A 73 LYS HD2 . 25638 1 883 . 1 1 73 73 LYS HD3 H 1 1.682 0.02 . 2 . . . A 73 LYS HD3 . 25638 1 884 . 1 1 73 73 LYS HE2 H 1 2.986 0.02 . 2 . . . A 73 LYS HE2 . 25638 1 885 . 1 1 73 73 LYS HE3 H 1 2.986 0.02 . 2 . . . A 73 LYS HE3 . 25638 1 886 . 1 1 73 73 LYS C C 13 178.272 0.30 . 1 . . . A 73 LYS C . 25638 1 887 . 1 1 73 73 LYS CA C 13 59.535 0.30 . 1 . . . A 73 LYS CA . 25638 1 888 . 1 1 73 73 LYS CB C 13 31.715 0.30 . 1 . . . A 73 LYS CB . 25638 1 889 . 1 1 73 73 LYS CG C 13 24.910 0.30 . 1 . . . A 73 LYS CG . 25638 1 890 . 1 1 73 73 LYS CD C 13 29.570 0.30 . 1 . . . A 73 LYS CD . 25638 1 891 . 1 1 73 73 LYS CE C 13 41.865 0.30 . 1 . . . A 73 LYS CE . 25638 1 892 . 1 1 73 73 LYS N N 15 116.946 0.10 . 1 . . . A 73 LYS N . 25638 1 893 . 1 1 74 74 ASN H H 1 8.309 0.02 . 1 . . . A 74 ASN H . 25638 1 894 . 1 1 74 74 ASN HA H 1 4.277 0.02 . 1 . . . A 74 ASN HA . 25638 1 895 . 1 1 74 74 ASN HB2 H 1 2.163 0.02 . 2 . . . A 74 ASN HB2 . 25638 1 896 . 1 1 74 74 ASN HB3 H 1 2.609 0.02 . 2 . . . A 74 ASN HB3 . 25638 1 897 . 1 1 74 74 ASN HD21 H 1 6.364 0.02 . 2 . . . A 74 ASN HD21 . 25638 1 898 . 1 1 74 74 ASN HD22 H 1 3.818 0.02 . 2 . . . A 74 ASN HD22 . 25638 1 899 . 1 1 74 74 ASN C C 13 176.798 0.30 . 1 . . . A 74 ASN C . 25638 1 900 . 1 1 74 74 ASN CA C 13 55.863 0.30 . 1 . . . A 74 ASN CA . 25638 1 901 . 1 1 74 74 ASN CB C 13 38.034 0.30 . 1 . . . A 74 ASN CB . 25638 1 902 . 1 1 74 74 ASN N N 15 116.434 0.10 . 1 . . . A 74 ASN N . 25638 1 903 . 1 1 74 74 ASN ND2 N 15 105.800 0.10 . 1 . . . A 74 ASN ND2 . 25638 1 904 . 1 1 75 75 LEU H H 1 8.635 0.02 . 1 . . . A 75 LEU H . 25638 1 905 . 1 1 75 75 LEU HA H 1 4.125 0.02 . 1 . . . A 75 LEU HA . 25638 1 906 . 1 1 75 75 LEU HB2 H 1 1.901 0.02 . 2 . . . A 75 LEU HB2 . 25638 1 907 . 1 1 75 75 LEU HB3 H 1 1.771 0.02 . 2 . . . A 75 LEU HB3 . 25638 1 908 . 1 1 75 75 LEU HG H 1 1.790 0.02 . 1 . . . A 75 LEU HG . 25638 1 909 . 1 1 75 75 LEU HD11 H 1 0.961 0.02 . 2 . . . A 75 LEU MD1 . 25638 1 910 . 1 1 75 75 LEU HD12 H 1 0.961 0.02 . 2 . . . A 75 LEU MD1 . 25638 1 911 . 1 1 75 75 LEU HD13 H 1 0.961 0.02 . 2 . . . A 75 LEU MD1 . 25638 1 912 . 1 1 75 75 LEU HD21 H 1 0.963 0.02 . 2 . . . A 75 LEU MD2 . 25638 1 913 . 1 1 75 75 LEU HD22 H 1 0.963 0.02 . 2 . . . A 75 LEU MD2 . 25638 1 914 . 1 1 75 75 LEU HD23 H 1 0.963 0.02 . 2 . . . A 75 LEU MD2 . 25638 1 915 . 1 1 75 75 LEU C C 13 178.901 0.30 . 1 . . . A 75 LEU C . 25638 1 916 . 1 1 75 75 LEU CA C 13 58.827 0.30 . 1 . . . A 75 LEU CA . 25638 1 917 . 1 1 75 75 LEU CB C 13 40.984 0.30 . 1 . . . A 75 LEU CB . 25638 1 918 . 1 1 75 75 LEU CG C 13 27.102 0.30 . 1 . . . A 75 LEU CG . 25638 1 919 . 1 1 75 75 LEU CD1 C 13 24.534 0.30 . 2 . . . A 75 LEU CD1 . 25638 1 920 . 1 1 75 75 LEU CD2 C 13 24.679 0.30 . 2 . . . A 75 LEU CD2 . 25638 1 921 . 1 1 75 75 LEU N N 15 118.967 0.10 . 1 . . . A 75 LEU N . 25638 1 922 . 1 1 76 76 TRP H H 1 8.006 0.02 . 1 . . . A 76 TRP H . 25638 1 923 . 1 1 76 76 TRP HA H 1 4.579 0.02 . 1 . . . A 76 TRP HA . 25638 1 924 . 1 1 76 76 TRP HB2 H 1 3.286 0.02 . 2 . . . A 76 TRP HB2 . 25638 1 925 . 1 1 76 76 TRP HB3 H 1 3.400 0.02 . 2 . . . A 76 TRP HB3 . 25638 1 926 . 1 1 76 76 TRP HD1 H 1 7.337 0.02 . 1 . . . A 76 TRP HD1 . 25638 1 927 . 1 1 76 76 TRP HE1 H 1 10.217 0.02 . 1 . . . A 76 TRP HE1 . 25638 1 928 . 1 1 76 76 TRP HE3 H 1 7.484 0.02 . 1 . . . A 76 TRP HE3 . 25638 1 929 . 1 1 76 76 TRP HZ2 H 1 7.001 0.02 . 1 . . . A 76 TRP HZ2 . 25638 1 930 . 1 1 76 76 TRP HZ3 H 1 6.738 0.02 . 1 . . . A 76 TRP HZ3 . 25638 1 931 . 1 1 76 76 TRP HH2 H 1 6.605 0.02 . 1 . . . A 76 TRP HH2 . 25638 1 932 . 1 1 76 76 TRP C C 13 179.550 0.30 . 1 . . . A 76 TRP C . 25638 1 933 . 1 1 76 76 TRP CA C 13 61.416 0.30 . 1 . . . A 76 TRP CA . 25638 1 934 . 1 1 76 76 TRP CB C 13 29.098 0.30 . 1 . . . A 76 TRP CB . 25638 1 935 . 1 1 76 76 TRP CZ2 C 13 113.906 0.30 . 1 . . . A 76 TRP CZ2 . 25638 1 936 . 1 1 76 76 TRP CH2 C 13 123.399 0.30 . 1 . . . A 76 TRP CH2 . 25638 1 937 . 1 1 76 76 TRP N N 15 118.544 0.10 . 1 . . . A 76 TRP N . 25638 1 938 . 1 1 76 76 TRP NE1 N 15 128.067 0.10 . 1 . . . A 76 TRP NE1 . 25638 1 939 . 1 1 77 77 ILE H H 1 8.893 0.02 . 1 . . . A 77 ILE H . 25638 1 940 . 1 1 77 77 ILE HA H 1 3.831 0.02 . 1 . . . A 77 ILE HA . 25638 1 941 . 1 1 77 77 ILE HB H 1 2.173 0.02 . 1 . . . A 77 ILE HB . 25638 1 942 . 1 1 77 77 ILE HG12 H 1 0.990 0.02 . 2 . . . A 77 ILE HG12 . 25638 1 943 . 1 1 77 77 ILE HG13 H 1 0.990 0.02 . 2 . . . A 77 ILE HG13 . 25638 1 944 . 1 1 77 77 ILE HG21 H 1 0.919 0.02 . 1 . . . A 77 ILE MG . 25638 1 945 . 1 1 77 77 ILE HG22 H 1 0.919 0.02 . 1 . . . A 77 ILE MG . 25638 1 946 . 1 1 77 77 ILE HG23 H 1 0.919 0.02 . 1 . . . A 77 ILE MG . 25638 1 947 . 1 1 77 77 ILE HD11 H 1 0.856 0.02 . 1 . . . A 77 ILE MD . 25638 1 948 . 1 1 77 77 ILE HD12 H 1 0.856 0.02 . 1 . . . A 77 ILE MD . 25638 1 949 . 1 1 77 77 ILE HD13 H 1 0.856 0.02 . 1 . . . A 77 ILE MD . 25638 1 950 . 1 1 77 77 ILE C C 13 181.254 0.30 . 1 . . . A 77 ILE C . 25638 1 951 . 1 1 77 77 ILE CA C 13 66.041 0.30 . 1 . . . A 77 ILE CA . 25638 1 952 . 1 1 77 77 ILE CB C 13 37.350 0.30 . 1 . . . A 77 ILE CB . 25638 1 953 . 1 1 77 77 ILE CG1 C 13 29.977 0.30 . 1 . . . A 77 ILE CG1 . 25638 1 954 . 1 1 77 77 ILE CG2 C 13 18.054 0.30 . 1 . . . A 77 ILE CG2 . 25638 1 955 . 1 1 77 77 ILE CD1 C 13 14.333 0.30 . 1 . . . A 77 ILE CD1 . 25638 1 956 . 1 1 77 77 ILE N N 15 121.982 0.10 . 1 . . . A 77 ILE N . 25638 1 957 . 1 1 78 78 PHE H H 1 8.753 0.02 . 1 . . . A 78 PHE H . 25638 1 958 . 1 1 78 78 PHE HA H 1 4.044 0.02 . 1 . . . A 78 PHE HA . 25638 1 959 . 1 1 78 78 PHE HB2 H 1 3.661 0.02 . 2 . . . A 78 PHE HB2 . 25638 1 960 . 1 1 78 78 PHE HB3 H 1 3.132 0.02 . 2 . . . A 78 PHE HB3 . 25638 1 961 . 1 1 78 78 PHE HD1 H 1 6.821 0.02 . 3 . . . A 78 PHE HD1 . 25638 1 962 . 1 1 78 78 PHE HD2 H 1 6.821 0.02 . 3 . . . A 78 PHE HD2 . 25638 1 963 . 1 1 78 78 PHE HE1 H 1 6.698 0.02 . 3 . . . A 78 PHE HE1 . 25638 1 964 . 1 1 78 78 PHE HE2 H 1 6.698 0.02 . 3 . . . A 78 PHE HE2 . 25638 1 965 . 1 1 78 78 PHE HZ H 1 7.136 0.02 . 1 . . . A 78 PHE HZ . 25638 1 966 . 1 1 78 78 PHE C C 13 176.268 0.30 . 1 . . . A 78 PHE C . 25638 1 967 . 1 1 78 78 PHE CA C 13 63.080 0.30 . 1 . . . A 78 PHE CA . 25638 1 968 . 1 1 78 78 PHE CB C 13 38.710 0.30 . 1 . . . A 78 PHE CB . 25638 1 969 . 1 1 78 78 PHE CD1 C 13 131.740 0.30 . 3 . . . A 78 PHE CD1 . 25638 1 970 . 1 1 78 78 PHE CE1 C 13 131.702 0.30 . 3 . . . A 78 PHE CE1 . 25638 1 971 . 1 1 78 78 PHE CZ C 13 129.302 0.30 . 1 . . . A 78 PHE CZ . 25638 1 972 . 1 1 78 78 PHE N N 15 123.458 0.10 . 1 . . . A 78 PHE N . 25638 1 973 . 1 1 79 79 VAL H H 1 8.232 0.02 . 1 . . . A 79 VAL H . 25638 1 974 . 1 1 79 79 VAL HA H 1 3.479 0.02 . 1 . . . A 79 VAL HA . 25638 1 975 . 1 1 79 79 VAL HB H 1 2.508 0.02 . 1 . . . A 79 VAL HB . 25638 1 976 . 1 1 79 79 VAL HG11 H 1 1.000 0.02 . 2 . . . A 79 VAL MG1 . 25638 1 977 . 1 1 79 79 VAL HG12 H 1 1.000 0.02 . 2 . . . A 79 VAL MG1 . 25638 1 978 . 1 1 79 79 VAL HG13 H 1 1.000 0.02 . 2 . . . A 79 VAL MG1 . 25638 1 979 . 1 1 79 79 VAL HG21 H 1 1.032 0.02 . 2 . . . A 79 VAL MG2 . 25638 1 980 . 1 1 79 79 VAL HG22 H 1 1.032 0.02 . 2 . . . A 79 VAL MG2 . 25638 1 981 . 1 1 79 79 VAL HG23 H 1 1.032 0.02 . 2 . . . A 79 VAL MG2 . 25638 1 982 . 1 1 79 79 VAL C C 13 179.904 0.30 . 1 . . . A 79 VAL C . 25638 1 983 . 1 1 79 79 VAL CA C 13 66.813 0.30 . 1 . . . A 79 VAL CA . 25638 1 984 . 1 1 79 79 VAL CB C 13 31.572 0.30 . 1 . . . A 79 VAL CB . 25638 1 985 . 1 1 79 79 VAL CG1 C 13 24.273 0.30 . 2 . . . A 79 VAL CG1 . 25638 1 986 . 1 1 79 79 VAL CG2 C 13 22.240 0.30 . 2 . . . A 79 VAL CG2 . 25638 1 987 . 1 1 79 79 VAL N N 15 117.726 0.10 . 1 . . . A 79 VAL N . 25638 1 988 . 1 1 80 80 SER H H 1 8.353 0.02 . 1 . . . A 80 SER H . 25638 1 989 . 1 1 80 80 SER HA H 1 4.339 0.02 . 1 . . . A 80 SER HA . 25638 1 990 . 1 1 80 80 SER HB2 H 1 4.043 0.02 . 2 . . . A 80 SER HB2 . 25638 1 991 . 1 1 80 80 SER HB3 H 1 4.043 0.02 . 2 . . . A 80 SER HB3 . 25638 1 992 . 1 1 80 80 SER C C 13 174.911 0.30 . 1 . . . A 80 SER C . 25638 1 993 . 1 1 80 80 SER CA C 13 61.337 0.30 . 1 . . . A 80 SER CA . 25638 1 994 . 1 1 80 80 SER CB C 13 62.712 0.30 . 1 . . . A 80 SER CB . 25638 1 995 . 1 1 80 80 SER N N 15 114.568 0.10 . 1 . . . A 80 SER N . 25638 1 996 . 1 1 81 81 LYS H H 1 7.481 0.02 . 1 . . . A 81 LYS H . 25638 1 997 . 1 1 81 81 LYS HA H 1 4.198 0.02 . 1 . . . A 81 LYS HA . 25638 1 998 . 1 1 81 81 LYS HB2 H 1 1.703 0.02 . 2 . . . A 81 LYS HB2 . 25638 1 999 . 1 1 81 81 LYS HB3 H 1 1.727 0.02 . 2 . . . A 81 LYS HB3 . 25638 1 1000 . 1 1 81 81 LYS HG2 H 1 1.482 0.02 . 2 . . . A 81 LYS HG2 . 25638 1 1001 . 1 1 81 81 LYS HG3 H 1 1.418 0.02 . 2 . . . A 81 LYS HG3 . 25638 1 1002 . 1 1 81 81 LYS HD2 H 1 1.547 0.02 . 2 . . . A 81 LYS HD2 . 25638 1 1003 . 1 1 81 81 LYS HD3 H 1 1.547 0.02 . 2 . . . A 81 LYS HD3 . 25638 1 1004 . 1 1 81 81 LYS C C 13 176.955 0.30 . 1 . . . A 81 LYS C . 25638 1 1005 . 1 1 81 81 LYS CA C 13 57.104 0.30 . 1 . . . A 81 LYS CA . 25638 1 1006 . 1 1 81 81 LYS CB C 13 30.659 0.30 . 1 . . . A 81 LYS CB . 25638 1 1007 . 1 1 81 81 LYS CG C 13 24.104 0.30 . 1 . . . A 81 LYS CG . 25638 1 1008 . 1 1 81 81 LYS CD C 13 28.008 0.30 . 1 . . . A 81 LYS CD . 25638 1 1009 . 1 1 81 81 LYS N N 15 121.180 0.10 . 1 . . . A 81 LYS N . 25638 1 1010 . 1 1 82 82 PHE H H 1 8.256 0.02 . 1 . . . A 82 PHE H . 25638 1 1011 . 1 1 82 82 PHE HA H 1 4.397 0.02 . 1 . . . A 82 PHE HA . 25638 1 1012 . 1 1 82 82 PHE HB2 H 1 3.492 0.02 . 2 . . . A 82 PHE HB2 . 25638 1 1013 . 1 1 82 82 PHE HB3 H 1 2.963 0.02 . 2 . . . A 82 PHE HB3 . 25638 1 1014 . 1 1 82 82 PHE HD1 H 1 7.319 0.02 . 3 . . . A 82 PHE HD1 . 25638 1 1015 . 1 1 82 82 PHE HD2 H 1 7.319 0.02 . 3 . . . A 82 PHE HD2 . 25638 1 1016 . 1 1 82 82 PHE HE1 H 1 6.737 0.02 . 3 . . . A 82 PHE HE1 . 25638 1 1017 . 1 1 82 82 PHE HE2 H 1 6.737 0.02 . 3 . . . A 82 PHE HE2 . 25638 1 1018 . 1 1 82 82 PHE C C 13 173.437 0.30 . 1 . . . A 82 PHE C . 25638 1 1019 . 1 1 82 82 PHE CA C 13 58.398 0.30 . 1 . . . A 82 PHE CA . 25638 1 1020 . 1 1 82 82 PHE CB C 13 38.937 0.30 . 1 . . . A 82 PHE CB . 25638 1 1021 . 1 1 82 82 PHE CD1 C 13 132.649 0.30 . 3 . . . A 82 PHE CD1 . 25638 1 1022 . 1 1 82 82 PHE CE1 C 13 131.446 0.30 . 3 . . . A 82 PHE CE1 . 25638 1 1023 . 1 1 82 82 PHE N N 15 117.950 0.10 . 1 . . . A 82 PHE N . 25638 1 1024 . 1 1 83 83 THR H H 1 7.665 0.02 . 1 . . . A 83 THR H . 25638 1 1025 . 1 1 83 83 THR HA H 1 4.988 0.02 . 1 . . . A 83 THR HA . 25638 1 1026 . 1 1 83 83 THR HB H 1 4.356 0.02 . 1 . . . A 83 THR HB . 25638 1 1027 . 1 1 83 83 THR HG21 H 1 1.354 0.02 . 1 . . . A 83 THR MG . 25638 1 1028 . 1 1 83 83 THR HG22 H 1 1.354 0.02 . 1 . . . A 83 THR MG . 25638 1 1029 . 1 1 83 83 THR HG23 H 1 1.354 0.02 . 1 . . . A 83 THR MG . 25638 1 1030 . 1 1 83 83 THR C C 13 172.788 0.30 . 1 . . . A 83 THR C . 25638 1 1031 . 1 1 83 83 THR CA C 13 59.609 0.30 . 1 . . . A 83 THR CA . 25638 1 1032 . 1 1 83 83 THR CB C 13 71.080 0.30 . 1 . . . A 83 THR CB . 25638 1 1033 . 1 1 83 83 THR CG2 C 13 21.809 0.30 . 1 . . . A 83 THR CG2 . 25638 1 1034 . 1 1 83 83 THR N N 15 109.995 0.10 . 1 . . . A 83 THR N . 25638 1 1035 . 1 1 84 84 GLU H H 1 8.409 0.02 . 1 . . . A 84 GLU H . 25638 1 1036 . 1 1 84 84 GLU HA H 1 4.395 0.02 . 1 . . . A 84 GLU HA . 25638 1 1037 . 1 1 84 84 GLU HB2 H 1 1.686 0.02 . 2 . . . A 84 GLU HB2 . 25638 1 1038 . 1 1 84 84 GLU HB3 H 1 1.686 0.02 . 2 . . . A 84 GLU HB3 . 25638 1 1039 . 1 1 84 84 GLU HG2 H 1 1.922 0.02 . 2 . . . A 84 GLU HG2 . 25638 1 1040 . 1 1 84 84 GLU HG3 H 1 1.922 0.02 . 2 . . . A 84 GLU HG3 . 25638 1 1041 . 1 1 84 84 GLU C C 13 176.562 0.30 . 1 . . . A 84 GLU C . 25638 1 1042 . 1 1 84 84 GLU CA C 13 56.496 0.30 . 1 . . . A 84 GLU CA . 25638 1 1043 . 1 1 84 84 GLU CB C 13 29.522 0.30 . 1 . . . A 84 GLU CB . 25638 1 1044 . 1 1 84 84 GLU CG C 13 35.893 0.30 . 1 . . . A 84 GLU CG . 25638 1 1045 . 1 1 84 84 GLU N N 15 119.416 0.10 . 1 . . . A 84 GLU N . 25638 1 1046 . 1 1 85 85 PHE H H 1 8.210 0.02 . 1 . . . A 85 PHE H . 25638 1 1047 . 1 1 85 85 PHE HA H 1 4.891 0.02 . 1 . . . A 85 PHE HA . 25638 1 1048 . 1 1 85 85 PHE HB2 H 1 3.147 0.02 . 2 . . . A 85 PHE HB2 . 25638 1 1049 . 1 1 85 85 PHE HB3 H 1 2.848 0.02 . 2 . . . A 85 PHE HB3 . 25638 1 1050 . 1 1 85 85 PHE HD1 H 1 7.213 0.02 . 3 . . . A 85 PHE HD1 . 25638 1 1051 . 1 1 85 85 PHE HD2 H 1 7.213 0.02 . 3 . . . A 85 PHE HD2 . 25638 1 1052 . 1 1 85 85 PHE HE1 H 1 7.380 0.02 . 3 . . . A 85 PHE HE1 . 25638 1 1053 . 1 1 85 85 PHE HE2 H 1 7.380 0.02 . 3 . . . A 85 PHE HE2 . 25638 1 1054 . 1 1 85 85 PHE C C 13 174.459 0.30 . 1 . . . A 85 PHE C . 25638 1 1055 . 1 1 85 85 PHE CA C 13 56.109 0.30 . 1 . . . A 85 PHE CA . 25638 1 1056 . 1 1 85 85 PHE CB C 13 41.188 0.30 . 1 . . . A 85 PHE CB . 25638 1 1057 . 1 1 85 85 PHE CD1 C 13 131.104 0.30 . 3 . . . A 85 PHE CD1 . 25638 1 1058 . 1 1 85 85 PHE CE1 C 13 131.054 0.30 . 3 . . . A 85 PHE CE1 . 25638 1 1059 . 1 1 85 85 PHE N N 15 120.265 0.10 . 1 . . . A 85 PHE N . 25638 1 1060 . 1 1 86 86 ASP H H 1 8.119 0.02 . 1 . . . A 86 ASP H . 25638 1 1061 . 1 1 86 86 ASP HA H 1 4.736 0.02 . 1 . . . A 86 ASP HA . 25638 1 1062 . 1 1 86 86 ASP HB2 H 1 2.741 0.02 . 2 . . . A 86 ASP HB2 . 25638 1 1063 . 1 1 86 86 ASP HB3 H 1 3.058 0.02 . 2 . . . A 86 ASP HB3 . 25638 1 1064 . 1 1 86 86 ASP C C 13 175.636 0.30 . 1 . . . A 86 ASP C . 25638 1 1065 . 1 1 86 86 ASP CA C 13 53.183 0.30 . 1 . . . A 86 ASP CA . 25638 1 1066 . 1 1 86 86 ASP CB C 13 42.533 0.30 . 1 . . . A 86 ASP CB . 25638 1 1067 . 1 1 86 86 ASP N N 15 118.128 0.10 . 1 . . . A 86 ASP N . 25638 1 1068 . 1 1 87 87 ALA H H 1 8.757 0.02 . 1 . . . A 87 ALA H . 25638 1 1069 . 1 1 87 87 ALA HA H 1 3.989 0.02 . 1 . . . A 87 ALA HA . 25638 1 1070 . 1 1 87 87 ALA HB1 H 1 1.524 0.02 . 1 . . . A 87 ALA MB . 25638 1 1071 . 1 1 87 87 ALA HB2 H 1 1.524 0.02 . 1 . . . A 87 ALA MB . 25638 1 1072 . 1 1 87 87 ALA HB3 H 1 1.524 0.02 . 1 . . . A 87 ALA MB . 25638 1 1073 . 1 1 87 87 ALA C C 13 179.028 0.30 . 1 . . . A 87 ALA C . 25638 1 1074 . 1 1 87 87 ALA CA C 13 56.075 0.30 . 1 . . . A 87 ALA CA . 25638 1 1075 . 1 1 87 87 ALA CB C 13 20.207 0.30 . 1 . . . A 87 ALA CB . 25638 1 1076 . 1 1 87 87 ALA N N 15 121.912 0.10 . 1 . . . A 87 ALA N . 25638 1 1077 . 1 1 88 88 ARG H H 1 8.147 0.02 . 1 . . . A 88 ARG H . 25638 1 1078 . 1 1 88 88 ARG HA H 1 3.956 0.02 . 1 . . . A 88 ARG HA . 25638 1 1079 . 1 1 88 88 ARG HB2 H 1 1.699 0.02 . 2 . . . A 88 ARG HB2 . 25638 1 1080 . 1 1 88 88 ARG HB3 H 1 1.699 0.02 . 2 . . . A 88 ARG HB3 . 25638 1 1081 . 1 1 88 88 ARG C C 13 178.625 0.30 . 1 . . . A 88 ARG C . 25638 1 1082 . 1 1 88 88 ARG CA C 13 59.252 0.30 . 1 . . . A 88 ARG CA . 25638 1 1083 . 1 1 88 88 ARG CB C 13 29.613 0.30 . 1 . . . A 88 ARG CB . 25638 1 1084 . 1 1 88 88 ARG CG C 13 27.541 0.30 . 1 . . . A 88 ARG CG . 25638 1 1085 . 1 1 88 88 ARG N N 15 117.072 0.10 . 1 . . . A 88 ARG N . 25638 1 1086 . 1 1 89 89 LYS H H 1 8.022 0.02 . 1 . . . A 89 LYS H . 25638 1 1087 . 1 1 89 89 LYS HA H 1 3.909 0.02 . 1 . . . A 89 LYS HA . 25638 1 1088 . 1 1 89 89 LYS HB2 H 1 1.930 0.02 . 2 . . . A 89 LYS HB2 . 25638 1 1089 . 1 1 89 89 LYS HB3 H 1 1.930 0.02 . 2 . . . A 89 LYS HB3 . 25638 1 1090 . 1 1 89 89 LYS HG2 H 1 1.160 0.02 . 2 . . . A 89 LYS HG2 . 25638 1 1091 . 1 1 89 89 LYS HG3 H 1 1.260 0.02 . 2 . . . A 89 LYS HG3 . 25638 1 1092 . 1 1 89 89 LYS HD2 H 1 1.611 0.02 . 2 . . . A 89 LYS HD2 . 25638 1 1093 . 1 1 89 89 LYS HD3 H 1 1.499 0.02 . 2 . . . A 89 LYS HD3 . 25638 1 1094 . 1 1 89 89 LYS C C 13 178.155 0.30 . 1 . . . A 89 LYS C . 25638 1 1095 . 1 1 89 89 LYS CA C 13 58.986 0.30 . 1 . . . A 89 LYS CA . 25638 1 1096 . 1 1 89 89 LYS CB C 13 32.334 0.30 . 1 . . . A 89 LYS CB . 25638 1 1097 . 1 1 89 89 LYS CG C 13 25.171 0.30 . 1 . . . A 89 LYS CG . 25638 1 1098 . 1 1 89 89 LYS CD C 13 29.233 0.30 . 1 . . . A 89 LYS CD . 25638 1 1099 . 1 1 89 89 LYS N N 15 121.809 0.10 . 1 . . . A 89 LYS N . 25638 1 1100 . 1 1 90 90 LEU H H 1 8.139 0.02 . 1 . . . A 90 LEU H . 25638 1 1101 . 1 1 90 90 LEU HA H 1 3.744 0.02 . 1 . . . A 90 LEU HA . 25638 1 1102 . 1 1 90 90 LEU HB2 H 1 1.768 0.02 . 2 . . . A 90 LEU HB2 . 25638 1 1103 . 1 1 90 90 LEU HB3 H 1 1.899 0.02 . 2 . . . A 90 LEU HB3 . 25638 1 1104 . 1 1 90 90 LEU HG H 1 1.790 0.02 . 1 . . . A 90 LEU HG . 25638 1 1105 . 1 1 90 90 LEU HD11 H 1 0.934 0.02 . 2 . . . A 90 LEU MD1 . 25638 1 1106 . 1 1 90 90 LEU HD12 H 1 0.934 0.02 . 2 . . . A 90 LEU MD1 . 25638 1 1107 . 1 1 90 90 LEU HD13 H 1 0.934 0.02 . 2 . . . A 90 LEU MD1 . 25638 1 1108 . 1 1 90 90 LEU HD21 H 1 0.989 0.02 . 2 . . . A 90 LEU MD2 . 25638 1 1109 . 1 1 90 90 LEU HD22 H 1 0.989 0.02 . 2 . . . A 90 LEU MD2 . 25638 1 1110 . 1 1 90 90 LEU HD23 H 1 0.989 0.02 . 2 . . . A 90 LEU MD2 . 25638 1 1111 . 1 1 90 90 LEU C C 13 176.719 0.30 . 1 . . . A 90 LEU C . 25638 1 1112 . 1 1 90 90 LEU CA C 13 58.043 0.30 . 1 . . . A 90 LEU CA . 25638 1 1113 . 1 1 90 90 LEU CB C 13 42.462 0.30 . 1 . . . A 90 LEU CB . 25638 1 1114 . 1 1 90 90 LEU CG C 13 27.120 0.30 . 1 . . . A 90 LEU CG . 25638 1 1115 . 1 1 90 90 LEU CD1 C 13 25.525 0.30 . 2 . . . A 90 LEU CD1 . 25638 1 1116 . 1 1 90 90 LEU CD2 C 13 24.511 0.30 . 2 . . . A 90 LEU CD2 . 25638 1 1117 . 1 1 90 90 LEU N N 15 118.429 0.10 . 1 . . . A 90 LEU N . 25638 1 1118 . 1 1 91 91 HIS H H 1 7.379 0.02 . 1 . . . A 91 HIS H . 25638 1 1119 . 1 1 91 91 HIS HA H 1 3.979 0.02 . 1 . . . A 91 HIS HA . 25638 1 1120 . 1 1 91 91 HIS HB2 H 1 3.108 0.02 . 2 . . . A 91 HIS HB2 . 25638 1 1121 . 1 1 91 91 HIS HB3 H 1 3.108 0.02 . 2 . . . A 91 HIS HB3 . 25638 1 1122 . 1 1 91 91 HIS C C 13 178.069 0.30 . 1 . . . A 91 HIS C . 25638 1 1123 . 1 1 91 91 HIS CA C 13 58.178 0.30 . 1 . . . A 91 HIS CA . 25638 1 1124 . 1 1 91 91 HIS CB C 13 29.428 0.30 . 1 . . . A 91 HIS CB . 25638 1 1125 . 1 1 91 91 HIS N N 15 117.214 0.10 . 1 . . . A 91 HIS N . 25638 1 1126 . 1 1 92 92 LYS H H 1 7.599 0.02 . 1 . . . A 92 LYS H . 25638 1 1127 . 1 1 92 92 LYS HA H 1 3.635 0.02 . 1 . . . A 92 LYS HA . 25638 1 1128 . 1 1 92 92 LYS HB2 H 1 1.818 0.02 . 2 . . . A 92 LYS HB2 . 25638 1 1129 . 1 1 92 92 LYS HB3 H 1 1.818 0.02 . 2 . . . A 92 LYS HB3 . 25638 1 1130 . 1 1 92 92 LYS C C 13 178.960 0.30 . 1 . . . A 92 LYS C . 25638 1 1131 . 1 1 92 92 LYS CA C 13 59.924 0.30 . 1 . . . A 92 LYS CA . 25638 1 1132 . 1 1 92 92 LYS CB C 13 32.365 0.30 . 1 . . . A 92 LYS CB . 25638 1 1133 . 1 1 92 92 LYS N N 15 118.466 0.10 . 1 . . . A 92 LYS N . 25638 1 1134 . 1 1 93 93 LEU H H 1 8.351 0.02 . 1 . . . A 93 LEU H . 25638 1 1135 . 1 1 93 93 LEU HA H 1 3.983 0.02 . 1 . . . A 93 LEU HA . 25638 1 1136 . 1 1 93 93 LEU HB2 H 1 1.912 0.02 . 2 . . . A 93 LEU HB2 . 25638 1 1137 . 1 1 93 93 LEU HB3 H 1 1.280 0.02 . 2 . . . A 93 LEU HB3 . 25638 1 1138 . 1 1 93 93 LEU HG H 1 1.644 0.02 . 1 . . . A 93 LEU HG . 25638 1 1139 . 1 1 93 93 LEU HD11 H 1 0.539 0.02 . 2 . . . A 93 LEU MD1 . 25638 1 1140 . 1 1 93 93 LEU HD12 H 1 0.539 0.02 . 2 . . . A 93 LEU MD1 . 25638 1 1141 . 1 1 93 93 LEU HD13 H 1 0.539 0.02 . 2 . . . A 93 LEU MD1 . 25638 1 1142 . 1 1 93 93 LEU HD21 H 1 0.723 0.02 . 2 . . . A 93 LEU MD2 . 25638 1 1143 . 1 1 93 93 LEU HD22 H 1 0.723 0.02 . 2 . . . A 93 LEU MD2 . 25638 1 1144 . 1 1 93 93 LEU HD23 H 1 0.723 0.02 . 2 . . . A 93 LEU MD2 . 25638 1 1145 . 1 1 93 93 LEU C C 13 179.919 0.30 . 1 . . . A 93 LEU C . 25638 1 1146 . 1 1 93 93 LEU CA C 13 58.000 0.30 . 1 . . . A 93 LEU CA . 25638 1 1147 . 1 1 93 93 LEU CB C 13 42.339 0.30 . 1 . . . A 93 LEU CB . 25638 1 1148 . 1 1 93 93 LEU CG C 13 26.796 0.30 . 1 . . . A 93 LEU CG . 25638 1 1149 . 1 1 93 93 LEU CD1 C 13 25.496 0.30 . 2 . . . A 93 LEU CD1 . 25638 1 1150 . 1 1 93 93 LEU CD2 C 13 22.800 0.30 . 2 . . . A 93 LEU CD2 . 25638 1 1151 . 1 1 93 93 LEU N N 15 120.752 0.10 . 1 . . . A 93 LEU N . 25638 1 1152 . 1 1 94 94 TYR H H 1 8.290 0.02 . 1 . . . A 94 TYR H . 25638 1 1153 . 1 1 94 94 TYR HA H 1 4.136 0.02 . 1 . . . A 94 TYR HA . 25638 1 1154 . 1 1 94 94 TYR HB2 H 1 3.161 0.02 . 2 . . . A 94 TYR HB2 . 25638 1 1155 . 1 1 94 94 TYR HB3 H 1 3.202 0.02 . 2 . . . A 94 TYR HB3 . 25638 1 1156 . 1 1 94 94 TYR HD1 H 1 7.133 0.02 . 3 . . . A 94 TYR HD1 . 25638 1 1157 . 1 1 94 94 TYR HD2 H 1 7.133 0.02 . 3 . . . A 94 TYR HD2 . 25638 1 1158 . 1 1 94 94 TYR HE1 H 1 7.055 0.02 . 3 . . . A 94 TYR HE1 . 25638 1 1159 . 1 1 94 94 TYR HE2 H 1 7.055 0.02 . 3 . . . A 94 TYR HE2 . 25638 1 1160 . 1 1 94 94 TYR C C 13 175.439 0.30 . 1 . . . A 94 TYR C . 25638 1 1161 . 1 1 94 94 TYR CA C 13 61.300 0.30 . 1 . . . A 94 TYR CA . 25638 1 1162 . 1 1 94 94 TYR CB C 13 38.578 0.30 . 1 . . . A 94 TYR CB . 25638 1 1163 . 1 1 94 94 TYR CD1 C 13 133.511 0.30 . 3 . . . A 94 TYR CD1 . 25638 1 1164 . 1 1 94 94 TYR CE1 C 13 119.117 0.30 . 3 . . . A 94 TYR CE1 . 25638 1 1165 . 1 1 94 94 TYR N N 15 122.311 0.10 . 1 . . . A 94 TYR N . 25638 1 1166 . 1 1 95 95 LYS H H 1 8.180 0.02 . 1 . . . A 95 LYS H . 25638 1 1167 . 1 1 95 95 LYS HA H 1 3.426 0.02 . 1 . . . A 95 LYS HA . 25638 1 1168 . 1 1 95 95 LYS HB2 H 1 1.560 0.02 . 2 . . . A 95 LYS HB2 . 25638 1 1169 . 1 1 95 95 LYS HB3 H 1 1.560 0.02 . 2 . . . A 95 LYS HB3 . 25638 1 1170 . 1 1 95 95 LYS HG2 H 1 1.211 0.02 . 2 . . . A 95 LYS HG2 . 25638 1 1171 . 1 1 95 95 LYS HG3 H 1 1.211 0.02 . 2 . . . A 95 LYS HG3 . 25638 1 1172 . 1 1 95 95 LYS C C 13 179.334 0.30 . 1 . . . A 95 LYS C . 25638 1 1173 . 1 1 95 95 LYS CA C 13 59.379 0.30 . 1 . . . A 95 LYS CA . 25638 1 1174 . 1 1 95 95 LYS CB C 13 31.248 0.30 . 1 . . . A 95 LYS CB . 25638 1 1175 . 1 1 95 95 LYS CG C 13 25.066 0.30 . 1 . . . A 95 LYS CG . 25638 1 1176 . 1 1 95 95 LYS N N 15 117.851 0.10 . 1 . . . A 95 LYS N . 25638 1 1177 . 1 1 96 96 HIS H H 1 8.049 0.02 . 1 . . . A 96 HIS H . 25638 1 1178 . 1 1 96 96 HIS HA H 1 4.213 0.02 . 1 . . . A 96 HIS HA . 25638 1 1179 . 1 1 96 96 HIS HB2 H 1 3.136 0.02 . 2 . . . A 96 HIS HB2 . 25638 1 1180 . 1 1 96 96 HIS HB3 H 1 3.136 0.02 . 2 . . . A 96 HIS HB3 . 25638 1 1181 . 1 1 96 96 HIS C C 13 176.916 0.30 . 1 . . . A 96 HIS C . 25638 1 1182 . 1 1 96 96 HIS CA C 13 59.274 0.30 . 1 . . . A 96 HIS CA . 25638 1 1183 . 1 1 96 96 HIS CB C 13 30.203 0.30 . 1 . . . A 96 HIS CB . 25638 1 1184 . 1 1 96 96 HIS N N 15 117.611 0.10 . 1 . . . A 96 HIS N . 25638 1 1185 . 1 1 97 97 ALA H H 1 8.104 0.02 . 1 . . . A 97 ALA H . 25638 1 1186 . 1 1 97 97 ALA HA H 1 4.091 0.02 . 1 . . . A 97 ALA HA . 25638 1 1187 . 1 1 97 97 ALA HB1 H 1 1.543 0.02 . 1 . . . A 97 ALA MB . 25638 1 1188 . 1 1 97 97 ALA HB2 H 1 1.543 0.02 . 1 . . . A 97 ALA MB . 25638 1 1189 . 1 1 97 97 ALA HB3 H 1 1.543 0.02 . 1 . . . A 97 ALA MB . 25638 1 1190 . 1 1 97 97 ALA C C 13 180.002 0.30 . 1 . . . A 97 ALA C . 25638 1 1191 . 1 1 97 97 ALA CA C 13 54.645 0.30 . 1 . . . A 97 ALA CA . 25638 1 1192 . 1 1 97 97 ALA CB C 13 17.769 0.30 . 1 . . . A 97 ALA CB . 25638 1 1193 . 1 1 97 97 ALA N N 15 122.617 0.10 . 1 . . . A 97 ALA N . 25638 1 1194 . 1 1 98 98 ILE H H 1 7.636 0.02 . 1 . . . A 98 ILE H . 25638 1 1195 . 1 1 98 98 ILE HA H 1 4.109 0.02 . 1 . . . A 98 ILE HA . 25638 1 1196 . 1 1 98 98 ILE HB H 1 1.952 0.02 . 1 . . . A 98 ILE HB . 25638 1 1197 . 1 1 98 98 ILE HG12 H 1 1.030 0.02 . 2 . . . A 98 ILE HG12 . 25638 1 1198 . 1 1 98 98 ILE HG13 H 1 1.080 0.02 . 2 . . . A 98 ILE HG13 . 25638 1 1199 . 1 1 98 98 ILE HG21 H 1 0.720 0.02 . 1 . . . A 98 ILE MG . 25638 1 1200 . 1 1 98 98 ILE HG22 H 1 0.720 0.02 . 1 . . . A 98 ILE MG . 25638 1 1201 . 1 1 98 98 ILE HG23 H 1 0.720 0.02 . 1 . . . A 98 ILE MG . 25638 1 1202 . 1 1 98 98 ILE HD11 H 1 0.644 0.02 . 1 . . . A 98 ILE MD . 25638 1 1203 . 1 1 98 98 ILE HD12 H 1 0.644 0.02 . 1 . . . A 98 ILE MD . 25638 1 1204 . 1 1 98 98 ILE HD13 H 1 0.644 0.02 . 1 . . . A 98 ILE MD . 25638 1 1205 . 1 1 98 98 ILE C C 13 177.211 0.30 . 1 . . . A 98 ILE C . 25638 1 1206 . 1 1 98 98 ILE CA C 13 62.730 0.30 . 1 . . . A 98 ILE CA . 25638 1 1207 . 1 1 98 98 ILE CB C 13 37.646 0.30 . 1 . . . A 98 ILE CB . 25638 1 1208 . 1 1 98 98 ILE CG1 C 13 25.245 0.30 . 1 . . . A 98 ILE CG1 . 25638 1 1209 . 1 1 98 98 ILE CG2 C 13 18.699 0.30 . 1 . . . A 98 ILE CG2 . 25638 1 1210 . 1 1 98 98 ILE CD1 C 13 13.505 0.30 . 1 . . . A 98 ILE CD1 . 25638 1 1211 . 1 1 98 98 ILE N N 15 111.626 0.10 . 1 . . . A 98 ILE N . 25638 1 1212 . 1 1 99 99 LYS H H 1 7.359 0.02 . 1 . . . A 99 LYS H . 25638 1 1213 . 1 1 99 99 LYS HA H 1 4.045 0.02 . 1 . . . A 99 LYS HA . 25638 1 1214 . 1 1 99 99 LYS HB2 H 1 1.828 0.02 . 2 . . . A 99 LYS HB2 . 25638 1 1215 . 1 1 99 99 LYS HB3 H 1 1.828 0.02 . 2 . . . A 99 LYS HB3 . 25638 1 1216 . 1 1 99 99 LYS HG2 H 1 1.365 0.02 . 2 . . . A 99 LYS HG2 . 25638 1 1217 . 1 1 99 99 LYS HG3 H 1 1.475 0.02 . 2 . . . A 99 LYS HG3 . 25638 1 1218 . 1 1 99 99 LYS HD2 H 1 1.618 0.02 . 2 . . . A 99 LYS HD2 . 25638 1 1219 . 1 1 99 99 LYS HD3 H 1 1.618 0.02 . 2 . . . A 99 LYS HD3 . 25638 1 1220 . 1 1 99 99 LYS HE2 H 1 2.915 0.02 . 2 . . . A 99 LYS HE2 . 25638 1 1221 . 1 1 99 99 LYS HE3 H 1 2.915 0.02 . 2 . . . A 99 LYS HE3 . 25638 1 1222 . 1 1 99 99 LYS C C 13 177.761 0.30 . 1 . . . A 99 LYS C . 25638 1 1223 . 1 1 99 99 LYS CA C 13 59.070 0.30 . 1 . . . A 99 LYS CA . 25638 1 1224 . 1 1 99 99 LYS CB C 13 32.172 0.30 . 1 . . . A 99 LYS CB . 25638 1 1225 . 1 1 99 99 LYS CG C 13 24.593 0.30 . 1 . . . A 99 LYS CG . 25638 1 1226 . 1 1 99 99 LYS CD C 13 29.266 0.30 . 1 . . . A 99 LYS CD . 25638 1 1227 . 1 1 99 99 LYS CE C 13 42.036 0.30 . 1 . . . A 99 LYS CE . 25638 1 1228 . 1 1 99 99 LYS N N 15 124.158 0.10 . 1 . . . A 99 LYS N . 25638 1 1229 . 1 1 100 100 LYS H H 1 7.937 0.02 . 1 . . . A 100 LYS H . 25638 1 1230 . 1 1 100 100 LYS HA H 1 4.143 0.02 . 1 . . . A 100 LYS HA . 25638 1 1231 . 1 1 100 100 LYS HB2 H 1 1.828 0.02 . 2 . . . A 100 LYS HB2 . 25638 1 1232 . 1 1 100 100 LYS HB3 H 1 1.724 0.02 . 2 . . . A 100 LYS HB3 . 25638 1 1233 . 1 1 100 100 LYS HG2 H 1 1.368 0.02 . 2 . . . A 100 LYS HG2 . 25638 1 1234 . 1 1 100 100 LYS HG3 H 1 1.336 0.02 . 2 . . . A 100 LYS HG3 . 25638 1 1235 . 1 1 100 100 LYS HD2 H 1 1.614 0.02 . 2 . . . A 100 LYS HD2 . 25638 1 1236 . 1 1 100 100 LYS HD3 H 1 1.614 0.02 . 2 . . . A 100 LYS HD3 . 25638 1 1237 . 1 1 100 100 LYS HE2 H 1 2.912 0.02 . 2 . . . A 100 LYS HE2 . 25638 1 1238 . 1 1 100 100 LYS HE3 H 1 2.912 0.02 . 2 . . . A 100 LYS HE3 . 25638 1 1239 . 1 1 100 100 LYS C C 13 177.761 0.30 . 1 . . . A 100 LYS C . 25638 1 1240 . 1 1 100 100 LYS CA C 13 57.212 0.30 . 1 . . . A 100 LYS CA . 25638 1 1241 . 1 1 100 100 LYS CB C 13 31.742 0.30 . 1 . . . A 100 LYS CB . 25638 1 1242 . 1 1 100 100 LYS CG C 13 24.834 0.30 . 1 . . . A 100 LYS CG . 25638 1 1243 . 1 1 100 100 LYS CD C 13 28.500 0.30 . 1 . . . A 100 LYS CD . 25638 1 1244 . 1 1 100 100 LYS CE C 13 41.798 0.30 . 1 . . . A 100 LYS CE . 25638 1 1245 . 1 1 100 100 LYS N N 15 118.333 0.10 . 1 . . . A 100 LYS N . 25638 1 1246 . 1 1 101 101 ARG H H 1 7.895 0.02 . 1 . . . A 101 ARG H . 25638 1 1247 . 1 1 101 101 ARG HA H 1 4.129 0.02 . 1 . . . A 101 ARG HA . 25638 1 1248 . 1 1 101 101 ARG HB2 H 1 1.866 0.02 . 2 . . . A 101 ARG HB2 . 25638 1 1249 . 1 1 101 101 ARG HB3 H 1 2.016 0.02 . 2 . . . A 101 ARG HB3 . 25638 1 1250 . 1 1 101 101 ARG HG2 H 1 1.653 0.02 . 2 . . . A 101 ARG HG2 . 25638 1 1251 . 1 1 101 101 ARG HG3 H 1 1.735 0.02 . 2 . . . A 101 ARG HG3 . 25638 1 1252 . 1 1 101 101 ARG HD2 H 1 3.128 0.02 . 2 . . . A 101 ARG HD2 . 25638 1 1253 . 1 1 101 101 ARG HD3 H 1 3.214 0.02 . 2 . . . A 101 ARG HD3 . 25638 1 1254 . 1 1 101 101 ARG C C 13 177.191 0.30 . 1 . . . A 101 ARG C . 25638 1 1255 . 1 1 101 101 ARG CA C 13 58.166 0.30 . 1 . . . A 101 ARG CA . 25638 1 1256 . 1 1 101 101 ARG CB C 13 30.591 0.30 . 1 . . . A 101 ARG CB . 25638 1 1257 . 1 1 101 101 ARG CG C 13 26.937 0.30 . 1 . . . A 101 ARG CG . 25638 1 1258 . 1 1 101 101 ARG CD C 13 44.140 0.30 . 1 . . . A 101 ARG CD . 25638 1 1259 . 1 1 101 101 ARG N N 15 121.125 0.10 . 1 . . . A 101 ARG N . 25638 1 1260 . 1 1 102 102 GLN H H 1 8.167 0.02 . 1 . . . A 102 GLN H . 25638 1 1261 . 1 1 102 102 GLN HA H 1 4.207 0.02 . 1 . . . A 102 GLN HA . 25638 1 1262 . 1 1 102 102 GLN HB2 H 1 2.153 0.02 . 2 . . . A 102 GLN HB2 . 25638 1 1263 . 1 1 102 102 GLN HB3 H 1 2.135 0.02 . 2 . . . A 102 GLN HB3 . 25638 1 1264 . 1 1 102 102 GLN HG2 H 1 2.420 0.02 . 2 . . . A 102 GLN HG2 . 25638 1 1265 . 1 1 102 102 GLN HG3 H 1 2.420 0.02 . 2 . . . A 102 GLN HG3 . 25638 1 1266 . 1 1 102 102 GLN C C 13 176.779 0.30 . 1 . . . A 102 GLN C . 25638 1 1267 . 1 1 102 102 GLN CA C 13 56.912 0.30 . 1 . . . A 102 GLN CA . 25638 1 1268 . 1 1 102 102 GLN CB C 13 28.921 0.30 . 1 . . . A 102 GLN CB . 25638 1 1269 . 1 1 102 102 GLN CG C 13 35.639 0.30 . 1 . . . A 102 GLN CG . 25638 1 1270 . 1 1 102 102 GLN N N 15 119.756 0.10 . 1 . . . A 102 GLN N . 25638 1 1271 . 1 1 103 103 GLU H H 1 8.189 0.02 . 1 . . . A 103 GLU H . 25638 1 1272 . 1 1 103 103 GLU HA H 1 4.200 0.02 . 1 . . . A 103 GLU HA . 25638 1 1273 . 1 1 103 103 GLU HB2 H 1 2.051 0.02 . 2 . . . A 103 GLU HB2 . 25638 1 1274 . 1 1 103 103 GLU HB3 H 1 2.051 0.02 . 2 . . . A 103 GLU HB3 . 25638 1 1275 . 1 1 103 103 GLU HG2 H 1 2.265 0.02 . 2 . . . A 103 GLU HG2 . 25638 1 1276 . 1 1 103 103 GLU HG3 H 1 2.378 0.02 . 2 . . . A 103 GLU HG3 . 25638 1 1277 . 1 1 103 103 GLU C C 13 176.936 0.30 . 1 . . . A 103 GLU C . 25638 1 1278 . 1 1 103 103 GLU CA C 13 57.505 0.30 . 1 . . . A 103 GLU CA . 25638 1 1279 . 1 1 103 103 GLU CB C 13 29.924 0.30 . 1 . . . A 103 GLU CB . 25638 1 1280 . 1 1 103 103 GLU CG C 13 36.422 0.30 . 1 . . . A 103 GLU CG . 25638 1 1281 . 1 1 103 103 GLU N N 15 120.553 0.10 . 1 . . . A 103 GLU N . 25638 1 1282 . 1 1 104 104 SER H H 1 8.099 0.02 . 1 . . . A 104 SER H . 25638 1 1283 . 1 1 104 104 SER HA H 1 4.431 0.02 . 1 . . . A 104 SER HA . 25638 1 1284 . 1 1 104 104 SER HB2 H 1 3.926 0.02 . 2 . . . A 104 SER HB2 . 25638 1 1285 . 1 1 104 104 SER HB3 H 1 3.926 0.02 . 2 . . . A 104 SER HB3 . 25638 1 1286 . 1 1 104 104 SER C C 13 174.400 0.30 . 1 . . . A 104 SER C . 25638 1 1287 . 1 1 104 104 SER CA C 13 59.154 0.30 . 1 . . . A 104 SER CA . 25638 1 1288 . 1 1 104 104 SER CB C 13 63.456 0.30 . 1 . . . A 104 SER CB . 25638 1 1289 . 1 1 104 104 SER N N 15 115.381 0.10 . 1 . . . A 104 SER N . 25638 1 1290 . 1 1 105 105 GLN H H 1 8.170 0.02 . 1 . . . A 105 GLN H . 25638 1 1291 . 1 1 105 105 GLN HA H 1 4.335 0.02 . 1 . . . A 105 GLN HA . 25638 1 1292 . 1 1 105 105 GLN HB2 H 1 2.137 0.02 . 2 . . . A 105 GLN HB2 . 25638 1 1293 . 1 1 105 105 GLN HB3 H 1 2.030 0.02 . 2 . . . A 105 GLN HB3 . 25638 1 1294 . 1 1 105 105 GLN HG2 H 1 2.381 0.02 . 2 . . . A 105 GLN HG2 . 25638 1 1295 . 1 1 105 105 GLN HG3 H 1 2.409 0.02 . 2 . . . A 105 GLN HG3 . 25638 1 1296 . 1 1 105 105 GLN C C 13 177.008 0.30 . 1 . . . A 105 GLN C . 25638 1 1297 . 1 1 105 105 GLN CA C 13 56.053 0.30 . 1 . . . A 105 GLN CA . 25638 1 1298 . 1 1 105 105 GLN CB C 13 29.128 0.30 . 1 . . . A 105 GLN CB . 25638 1 1299 . 1 1 105 105 GLN CG C 13 33.824 0.30 . 1 . . . A 105 GLN CG . 25638 1 1300 . 1 1 105 105 GLN N N 15 121.635 0.10 . 1 . . . A 105 GLN N . 25638 1 1301 . 1 1 106 106 GLN H H 1 8.281 0.02 . 1 . . . A 106 GLN H . 25638 1 1302 . 1 1 106 106 GLN HA H 1 4.331 0.02 . 1 . . . A 106 GLN HA . 25638 1 1303 . 1 1 106 106 GLN HB2 H 1 2.131 0.02 . 2 . . . A 106 GLN HB2 . 25638 1 1304 . 1 1 106 106 GLN HB3 H 1 2.008 0.02 . 2 . . . A 106 GLN HB3 . 25638 1 1305 . 1 1 106 106 GLN HG2 H 1 2.385 0.02 . 2 . . . A 106 GLN HG2 . 25638 1 1306 . 1 1 106 106 GLN HG3 H 1 2.385 0.02 . 2 . . . A 106 GLN HG3 . 25638 1 1307 . 1 1 106 106 GLN C C 13 175.363 0.30 . 1 . . . A 106 GLN C . 25638 1 1308 . 1 1 106 106 GLN CA C 13 55.951 0.30 . 1 . . . A 106 GLN CA . 25638 1 1309 . 1 1 106 106 GLN CB C 13 29.254 0.30 . 1 . . . A 106 GLN CB . 25638 1 1310 . 1 1 106 106 GLN CG C 13 33.971 0.30 . 1 . . . A 106 GLN CG . 25638 1 1311 . 1 1 106 106 GLN N N 15 120.850 0.10 . 1 . . . A 106 GLN N . 25638 1 1312 . 1 1 107 107 ASN H H 1 8.434 0.02 . 1 . . . A 107 ASN H . 25638 1 1313 . 1 1 107 107 ASN HA H 1 4.790 0.02 . 1 . . . A 107 ASN HA . 25638 1 1314 . 1 1 107 107 ASN HB2 H 1 2.748 0.02 . 2 . . . A 107 ASN HB2 . 25638 1 1315 . 1 1 107 107 ASN HB3 H 1 2.857 0.02 . 2 . . . A 107 ASN HB3 . 25638 1 1316 . 1 1 107 107 ASN C C 13 173.987 0.30 . 1 . . . A 107 ASN C . 25638 1 1317 . 1 1 107 107 ASN CA C 13 53.353 0.30 . 1 . . . A 107 ASN CA . 25638 1 1318 . 1 1 107 107 ASN CB C 13 39.094 0.30 . 1 . . . A 107 ASN CB . 25638 1 1319 . 1 1 107 107 ASN N N 15 120.271 0.10 . 1 . . . A 107 ASN N . 25638 1 1320 . 1 1 108 108 SER H H 1 7.920 0.02 . 1 . . . A 108 SER H . 25638 1 1321 . 1 1 108 108 SER HA H 1 4.252 0.02 . 1 . . . A 108 SER HA . 25638 1 1322 . 1 1 108 108 SER C C 13 178.253 0.30 . 1 . . . A 108 SER C . 25638 1 1323 . 1 1 108 108 SER CA C 13 60.136 0.30 . 1 . . . A 108 SER CA . 25638 1 1324 . 1 1 108 108 SER CB C 13 64.866 0.30 . 1 . . . A 108 SER CB . 25638 1 1325 . 1 1 108 108 SER N N 15 121.651 0.10 . 1 . . . A 108 SER N . 25638 1 stop_ save_