data_25515 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25515 _Entry.Title ; Solution Structure of the non-phosphorylated J-domain of Human Cysteine String Protein (CSP) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-04 _Entry.Accession_date 2015-03-04 _Entry.Last_release_date 2016-07-11 _Entry.Original_release_date 2016-07-11 _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 Pryank Patel . . . . 25515 2 Lu-Yun Lian . . . . 25515 3 Alan Morgan . . . . 25515 4 Robert Burgoyne . . . . 25515 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' . 25515 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DnaJ . 25515 phosphorylation . 25515 protein . 25515 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25515 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 410 25515 '15N chemical shifts' 104 25515 '1H chemical shifts' 647 25515 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 . . 2016-08-29 2015-03-04 update BMRB 'update entry citation' 25515 1 . . 2016-07-11 2015-03-04 original author 'original release' 25515 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N05 'BMRB Entry Tracking System' 25515 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25515 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27452402 _Citation.Full_citation . _Citation.Title ; Phosphorylation of Cysteine String Protein Triggers a Major Conformational Switch ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 8 _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 1380 _Citation.Page_last 1386 _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 Pryank Patel . . . . 25515 1 2 Gerald Prescott . R. . . 25515 1 3 Robert Burgoyne . D. . . 25515 1 4 Lu-Yun Lian . . . . 25515 1 5 Alan Morgan . . . . 25515 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25515 _Assembly.ID 1 _Assembly.Name 'non-phosphorylated J-domain of Human Cysteine String Protein (CSP)' _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 . . . 25515 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25515 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DnaJ_domain_of_cysteine-string_protein _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 ; MRSPGMADQRQRSLSTSGES LYHVLGLDKNATSDDIKKSY RKLALKYHPDKNPDNPEAAD KFKEINNAHAILTDATKRNI YDKYGSLGLYVAEQFGEENV NTYFV ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11904.328 _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 -4 MET . 25515 1 2 -3 ARG . 25515 1 3 -2 SER . 25515 1 4 -1 PRO . 25515 1 5 0 GLY . 25515 1 6 1 MET . 25515 1 7 2 ALA . 25515 1 8 3 ASP . 25515 1 9 4 GLN . 25515 1 10 5 ARG . 25515 1 11 6 GLN . 25515 1 12 7 ARG . 25515 1 13 8 SER . 25515 1 14 9 LEU . 25515 1 15 10 SER . 25515 1 16 11 THR . 25515 1 17 12 SER . 25515 1 18 13 GLY . 25515 1 19 14 GLU . 25515 1 20 15 SER . 25515 1 21 16 LEU . 25515 1 22 17 TYR . 25515 1 23 18 HIS . 25515 1 24 19 VAL . 25515 1 25 20 LEU . 25515 1 26 21 GLY . 25515 1 27 22 LEU . 25515 1 28 23 ASP . 25515 1 29 24 LYS . 25515 1 30 25 ASN . 25515 1 31 26 ALA . 25515 1 32 27 THR . 25515 1 33 28 SER . 25515 1 34 29 ASP . 25515 1 35 30 ASP . 25515 1 36 31 ILE . 25515 1 37 32 LYS . 25515 1 38 33 LYS . 25515 1 39 34 SER . 25515 1 40 35 TYR . 25515 1 41 36 ARG . 25515 1 42 37 LYS . 25515 1 43 38 LEU . 25515 1 44 39 ALA . 25515 1 45 40 LEU . 25515 1 46 41 LYS . 25515 1 47 42 TYR . 25515 1 48 43 HIS . 25515 1 49 44 PRO . 25515 1 50 45 ASP . 25515 1 51 46 LYS . 25515 1 52 47 ASN . 25515 1 53 48 PRO . 25515 1 54 49 ASP . 25515 1 55 50 ASN . 25515 1 56 51 PRO . 25515 1 57 52 GLU . 25515 1 58 53 ALA . 25515 1 59 54 ALA . 25515 1 60 55 ASP . 25515 1 61 56 LYS . 25515 1 62 57 PHE . 25515 1 63 58 LYS . 25515 1 64 59 GLU . 25515 1 65 60 ILE . 25515 1 66 61 ASN . 25515 1 67 62 ASN . 25515 1 68 63 ALA . 25515 1 69 64 HIS . 25515 1 70 65 ALA . 25515 1 71 66 ILE . 25515 1 72 67 LEU . 25515 1 73 68 THR . 25515 1 74 69 ASP . 25515 1 75 70 ALA . 25515 1 76 71 THR . 25515 1 77 72 LYS . 25515 1 78 73 ARG . 25515 1 79 74 ASN . 25515 1 80 75 ILE . 25515 1 81 76 TYR . 25515 1 82 77 ASP . 25515 1 83 78 LYS . 25515 1 84 79 TYR . 25515 1 85 80 GLY . 25515 1 86 81 SER . 25515 1 87 82 LEU . 25515 1 88 83 GLY . 25515 1 89 84 LEU . 25515 1 90 85 TYR . 25515 1 91 86 VAL . 25515 1 92 87 ALA . 25515 1 93 88 GLU . 25515 1 94 89 GLN . 25515 1 95 90 PHE . 25515 1 96 91 GLY . 25515 1 97 92 GLU . 25515 1 98 93 GLU . 25515 1 99 94 ASN . 25515 1 100 95 VAL . 25515 1 101 96 ASN . 25515 1 102 97 THR . 25515 1 103 98 TYR . 25515 1 104 99 PHE . 25515 1 105 100 VAL . 25515 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 . MET 1 1 25515 1 . ARG 2 2 25515 1 . SER 3 3 25515 1 . PRO 4 4 25515 1 . GLY 5 5 25515 1 . MET 6 6 25515 1 . ALA 7 7 25515 1 . ASP 8 8 25515 1 . GLN 9 9 25515 1 . ARG 10 10 25515 1 . GLN 11 11 25515 1 . ARG 12 12 25515 1 . SER 13 13 25515 1 . LEU 14 14 25515 1 . SER 15 15 25515 1 . THR 16 16 25515 1 . SER 17 17 25515 1 . GLY 18 18 25515 1 . GLU 19 19 25515 1 . SER 20 20 25515 1 . LEU 21 21 25515 1 . TYR 22 22 25515 1 . HIS 23 23 25515 1 . VAL 24 24 25515 1 . LEU 25 25 25515 1 . GLY 26 26 25515 1 . LEU 27 27 25515 1 . ASP 28 28 25515 1 . LYS 29 29 25515 1 . ASN 30 30 25515 1 . ALA 31 31 25515 1 . THR 32 32 25515 1 . SER 33 33 25515 1 . ASP 34 34 25515 1 . ASP 35 35 25515 1 . ILE 36 36 25515 1 . LYS 37 37 25515 1 . LYS 38 38 25515 1 . SER 39 39 25515 1 . TYR 40 40 25515 1 . ARG 41 41 25515 1 . LYS 42 42 25515 1 . LEU 43 43 25515 1 . ALA 44 44 25515 1 . LEU 45 45 25515 1 . LYS 46 46 25515 1 . TYR 47 47 25515 1 . HIS 48 48 25515 1 . PRO 49 49 25515 1 . ASP 50 50 25515 1 . LYS 51 51 25515 1 . ASN 52 52 25515 1 . PRO 53 53 25515 1 . ASP 54 54 25515 1 . ASN 55 55 25515 1 . PRO 56 56 25515 1 . GLU 57 57 25515 1 . ALA 58 58 25515 1 . ALA 59 59 25515 1 . ASP 60 60 25515 1 . LYS 61 61 25515 1 . PHE 62 62 25515 1 . LYS 63 63 25515 1 . GLU 64 64 25515 1 . ILE 65 65 25515 1 . ASN 66 66 25515 1 . ASN 67 67 25515 1 . ALA 68 68 25515 1 . HIS 69 69 25515 1 . ALA 70 70 25515 1 . ILE 71 71 25515 1 . LEU 72 72 25515 1 . THR 73 73 25515 1 . ASP 74 74 25515 1 . ALA 75 75 25515 1 . THR 76 76 25515 1 . LYS 77 77 25515 1 . ARG 78 78 25515 1 . ASN 79 79 25515 1 . ILE 80 80 25515 1 . TYR 81 81 25515 1 . ASP 82 82 25515 1 . LYS 83 83 25515 1 . TYR 84 84 25515 1 . GLY 85 85 25515 1 . SER 86 86 25515 1 . LEU 87 87 25515 1 . GLY 88 88 25515 1 . LEU 89 89 25515 1 . TYR 90 90 25515 1 . VAL 91 91 25515 1 . ALA 92 92 25515 1 . GLU 93 93 25515 1 . GLN 94 94 25515 1 . PHE 95 95 25515 1 . GLY 96 96 25515 1 . GLU 97 97 25515 1 . GLU 98 98 25515 1 . ASN 99 99 25515 1 . VAL 100 100 25515 1 . ASN 101 101 25515 1 . THR 102 102 25515 1 . TYR 103 103 25515 1 . PHE 104 104 25515 1 . VAL 105 105 25515 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 25515 _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 . . . . . . . . . . . . . 25515 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 25515 _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 . . . . . . 'pE-Sumo Pro Kan' . . . 25515 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25515 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DnaJ domain of cysteine-string protein' [U-15N] . . 1 $entity . . 0.5 . . mM . . . . 25515 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 25515 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25515 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25515 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25515 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25515 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DnaJ domain of cysteine-string protein' '[U-13C; U-15N]' . . 1 $entity . . 0.5 . . mM . . . . 25515 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 25515 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25515 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25515 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25515 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25515 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 25515 1 pH 6.5 . pH 25515 1 pressure 1 . atm 25515 1 temperature 298 . K 25515 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25515 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25515 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25515 1 processing 25515 1 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 25515 _Software.ID 2 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25515 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25515 2 'peak picking' 25515 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25515 _Software.ID 3 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 25515 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25515 3 'structure solution' 25515 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25515 _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 25515 _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 . . . 25515 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 25515 _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 . . . . . . . . . . . . . . . . 25515 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25515 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25515 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25515 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25515 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25515 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25515 1 8 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25515 1 9 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25515 1 10 '3D HBHANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25515 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25515 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25515 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25515 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25515 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25515 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 25515 _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 . . . . . 25515 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25515 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25515 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 25515 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25515 1 2 '2D 1H-13C HSQC' . . . 25515 1 3 '2D 1H-13C HSQC aromatic' . . . 25515 1 4 '3D HNCA' . . . 25515 1 5 '3D HN(CO)CA' . . . 25515 1 6 '3D HNCACB' . . . 25515 1 7 '3D CBCA(CO)NH' . . . 25515 1 8 '3D HNCO' . . . 25515 1 9 '3D HCACO' . . . 25515 1 10 '3D HBHANH' . . . 25515 1 11 '3D HBHA(CO)NH' . . . 25515 1 12 '3D HCCH-TOCSY' . . . 25515 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 7 7 ALA HA H 1 4.291 0.004 . . . . . A 2 ALA HA . 25515 1 2 . 1 1 7 7 ALA HB1 H 1 1.320 0.003 . . . . . A 2 ALA HB1 . 25515 1 3 . 1 1 7 7 ALA HB2 H 1 1.320 0.003 . . . . . A 2 ALA HB2 . 25515 1 4 . 1 1 7 7 ALA HB3 H 1 1.320 0.003 . . . . . A 2 ALA HB3 . 25515 1 5 . 1 1 7 7 ALA C C 13 175.019 0.002 . . . . . A 2 ALA C . 25515 1 6 . 1 1 7 7 ALA CA C 13 52.571 0.005 . . . . . A 2 ALA CA . 25515 1 7 . 1 1 7 7 ALA CB C 13 19.119 0.057 . . . . . A 2 ALA CB . 25515 1 8 . 1 1 8 8 ASP H H 1 8.336 0.003 . . . . . A 3 ASP H . 25515 1 9 . 1 1 8 8 ASP HA H 1 4.485 0.006 . . . . . A 3 ASP HA . 25515 1 10 . 1 1 8 8 ASP HB2 H 1 2.626 0.016 . . . . . A 3 ASP HB2 . 25515 1 11 . 1 1 8 8 ASP HB3 H 1 2.616 0.007 . . . . . A 3 ASP HB3 . 25515 1 12 . 1 1 8 8 ASP C C 13 175.549 0.000 . . . . . A 3 ASP C . 25515 1 13 . 1 1 8 8 ASP CA C 13 54.252 0.014 . . . . . A 3 ASP CA . 25515 1 14 . 1 1 8 8 ASP CB C 13 41.232 0.011 . . . . . A 3 ASP CB . 25515 1 15 . 1 1 8 8 ASP N N 15 120.192 0.036 . . . . . A 3 ASP N . 25515 1 16 . 1 1 9 9 GLN H H 1 8.404 0.001 . . . . . A 4 GLN H . 25515 1 17 . 1 1 9 9 GLN HA H 1 4.202 0.013 . . . . . A 4 GLN HA . 25515 1 18 . 1 1 9 9 GLN HB2 H 1 2.090 0.007 . . . . . A 4 GLN HB2 . 25515 1 19 . 1 1 9 9 GLN HB3 H 1 1.923 0.008 . . . . . A 4 GLN HB3 . 25515 1 20 . 1 1 9 9 GLN HG2 H 1 2.294 0.007 . . . . . A 4 GLN HG2 . 25515 1 21 . 1 1 9 9 GLN HG3 H 1 2.294 0.007 . . . . . A 4 GLN HG3 . 25515 1 22 . 1 1 9 9 GLN HE21 H 1 7.449 0.000 . . . . . A 4 GLN HE21 . 25515 1 23 . 1 1 9 9 GLN HE22 H 1 6.793 0.003 . . . . . A 4 GLN HE22 . 25515 1 24 . 1 1 9 9 GLN C C 13 175.579 0.000 . . . . . A 4 GLN C . 25515 1 25 . 1 1 9 9 GLN CA C 13 56.326 0.160 . . . . . A 4 GLN CA . 25515 1 26 . 1 1 9 9 GLN CB C 13 29.117 0.048 . . . . . A 4 GLN CB . 25515 1 27 . 1 1 9 9 GLN CG C 13 33.782 0.014 . . . . . A 4 GLN CG . 25515 1 28 . 1 1 9 9 GLN N N 15 121.286 0.013 . . . . . A 4 GLN N . 25515 1 29 . 1 1 9 9 GLN NE2 N 15 112.458 0.090 . . . . . A 4 GLN NE2 . 25515 1 30 . 1 1 10 10 ARG H H 1 8.281 0.007 . . . . . A 5 ARG H . 25515 1 31 . 1 1 10 10 ARG HA H 1 4.164 0.003 . . . . . A 5 ARG HA . 25515 1 32 . 1 1 10 10 ARG HB2 H 1 1.770 0.011 . . . . . A 5 ARG HB2 . 25515 1 33 . 1 1 10 10 ARG HB3 H 1 1.770 0.011 . . . . . A 5 ARG HB3 . 25515 1 34 . 1 1 10 10 ARG HG2 H 1 1.550 0.010 . . . . . A 5 ARG HG2 . 25515 1 35 . 1 1 10 10 ARG HG3 H 1 1.550 0.010 . . . . . A 5 ARG HG3 . 25515 1 36 . 1 1 10 10 ARG HD2 H 1 3.110 0.014 . . . . . A 5 ARG HD2 . 25515 1 37 . 1 1 10 10 ARG HD3 H 1 3.110 0.014 . . . . . A 5 ARG HD3 . 25515 1 38 . 1 1 10 10 ARG C C 13 175.327 0.000 . . . . . A 5 ARG C . 25515 1 39 . 1 1 10 10 ARG CA C 13 56.776 0.018 . . . . . A 5 ARG CA . 25515 1 40 . 1 1 10 10 ARG CB C 13 30.511 0.063 . . . . . A 5 ARG CB . 25515 1 41 . 1 1 10 10 ARG CG C 13 27.072 0.026 . . . . . A 5 ARG CG . 25515 1 42 . 1 1 10 10 ARG CD C 13 43.363 0.090 . . . . . A 5 ARG CD . 25515 1 43 . 1 1 10 10 ARG N N 15 121.138 0.042 . . . . . A 5 ARG N . 25515 1 44 . 1 1 11 11 GLN H H 1 8.253 0.003 . . . . . A 6 GLN H . 25515 1 45 . 1 1 11 11 GLN HA H 1 4.189 0.018 . . . . . A 6 GLN HA . 25515 1 46 . 1 1 11 11 GLN HB2 H 1 2.017 0.026 . . . . . A 6 GLN HB2 . 25515 1 47 . 1 1 11 11 GLN HB3 H 1 1.928 0.007 . . . . . A 6 GLN HB3 . 25515 1 48 . 1 1 11 11 GLN HG2 H 1 2.288 0.010 . . . . . A 6 GLN HG2 . 25515 1 49 . 1 1 11 11 GLN HG3 H 1 2.288 0.010 . . . . . A 6 GLN HG3 . 25515 1 50 . 1 1 11 11 GLN HE21 H 1 7.451 0.002 . . . . . A 6 GLN HE21 . 25515 1 51 . 1 1 11 11 GLN HE22 H 1 6.786 0.009 . . . . . A 6 GLN HE22 . 25515 1 52 . 1 1 11 11 GLN C C 13 175.838 0.000 . . . . . A 6 GLN C . 25515 1 53 . 1 1 11 11 GLN CA C 13 56.208 0.018 . . . . . A 6 GLN CA . 25515 1 54 . 1 1 11 11 GLN CB C 13 29.131 0.128 . . . . . A 6 GLN CB . 25515 1 55 . 1 1 11 11 GLN CG C 13 33.787 0.016 . . . . . A 6 GLN CG . 25515 1 56 . 1 1 11 11 GLN N N 15 120.348 0.013 . . . . . A 6 GLN N . 25515 1 57 . 1 1 11 11 GLN NE2 N 15 112.281 0.032 . . . . . A 6 GLN NE2 . 25515 1 58 . 1 1 12 12 ARG H H 1 8.211 0.023 . . . . . A 7 ARG H . 25515 1 59 . 1 1 12 12 ARG HA H 1 4.241 0.017 . . . . . A 7 ARG HA . 25515 1 60 . 1 1 12 12 ARG HB2 H 1 1.761 0.019 . . . . . A 7 ARG HB2 . 25515 1 61 . 1 1 12 12 ARG HB3 H 1 1.687 0.013 . . . . . A 7 ARG HB3 . 25515 1 62 . 1 1 12 12 ARG HG2 H 1 1.542 0.013 . . . . . A 7 ARG HG2 . 25515 1 63 . 1 1 12 12 ARG HG3 H 1 1.542 0.013 . . . . . A 7 ARG HG3 . 25515 1 64 . 1 1 12 12 ARG HD2 H 1 3.088 0.016 . . . . . A 7 ARG HD2 . 25515 1 65 . 1 1 12 12 ARG HD3 H 1 3.084 0.014 . . . . . A 7 ARG HD3 . 25515 1 66 . 1 1 12 12 ARG C C 13 175.708 0.000 . . . . . A 7 ARG C . 25515 1 67 . 1 1 12 12 ARG CA C 13 56.336 0.012 . . . . . A 7 ARG CA . 25515 1 68 . 1 1 12 12 ARG CB C 13 30.771 0.104 . . . . . A 7 ARG CB . 25515 1 69 . 1 1 12 12 ARG CG C 13 27.078 0.030 . . . . . A 7 ARG CG . 25515 1 70 . 1 1 12 12 ARG CD C 13 43.327 0.033 . . . . . A 7 ARG CD . 25515 1 71 . 1 1 12 12 ARG N N 15 121.761 0.012 . . . . . A 7 ARG N . 25515 1 72 . 1 1 13 13 SER H H 1 8.220 0.002 . . . . . A 8 SER H . 25515 1 73 . 1 1 13 13 SER HA H 1 4.384 0.006 . . . . . A 8 SER HA . 25515 1 74 . 1 1 13 13 SER HB2 H 1 3.791 0.003 . . . . . A 8 SER HB2 . 25515 1 75 . 1 1 13 13 SER HB3 H 1 3.791 0.003 . . . . . A 8 SER HB3 . 25515 1 76 . 1 1 13 13 SER C C 13 177.569 0.000 . . . . . A 8 SER C . 25515 1 77 . 1 1 13 13 SER CA C 13 58.298 0.026 . . . . . A 8 SER CA . 25515 1 78 . 1 1 13 13 SER CB C 13 63.786 0.058 . . . . . A 8 SER CB . 25515 1 79 . 1 1 13 13 SER N N 15 116.450 0.020 . . . . . A 8 SER N . 25515 1 80 . 1 1 14 14 LEU H H 1 8.091 0.007 . . . . . A 9 LEU H . 25515 1 81 . 1 1 14 14 LEU HA H 1 4.354 0.013 . . . . . A 9 LEU HA . 25515 1 82 . 1 1 14 14 LEU HB2 H 1 1.518 0.010 . . . . . A 9 LEU HB2 . 25515 1 83 . 1 1 14 14 LEU HB3 H 1 1.406 0.050 . . . . . A 9 LEU HB3 . 25515 1 84 . 1 1 14 14 LEU HG H 1 1.026 0.016 . . . . . A 9 LEU HG . 25515 1 85 . 1 1 14 14 LEU HD11 H 1 0.702 0.009 . . . . . A 9 LEU HD11 . 25515 1 86 . 1 1 14 14 LEU HD12 H 1 0.702 0.009 . . . . . A 9 LEU HD12 . 25515 1 87 . 1 1 14 14 LEU HD13 H 1 0.702 0.009 . . . . . A 9 LEU HD13 . 25515 1 88 . 1 1 14 14 LEU HD21 H 1 0.680 0.016 . . . . . A 9 LEU HD21 . 25515 1 89 . 1 1 14 14 LEU HD22 H 1 0.680 0.016 . . . . . A 9 LEU HD22 . 25515 1 90 . 1 1 14 14 LEU HD23 H 1 0.680 0.016 . . . . . A 9 LEU HD23 . 25515 1 91 . 1 1 14 14 LEU C C 13 174.915 0.013 . . . . . A 9 LEU C . 25515 1 92 . 1 1 14 14 LEU CA C 13 54.976 0.093 . . . . . A 9 LEU CA . 25515 1 93 . 1 1 14 14 LEU CB C 13 42.678 0.009 . . . . . A 9 LEU CB . 25515 1 94 . 1 1 14 14 LEU CG C 13 24.716 0.135 . . . . . A 9 LEU CG . 25515 1 95 . 1 1 14 14 LEU CD1 C 13 23.395 0.014 . . . . . A 9 LEU CD1 . 25515 1 96 . 1 1 14 14 LEU CD2 C 13 25.227 0.054 . . . . . A 9 LEU CD2 . 25515 1 97 . 1 1 14 14 LEU N N 15 123.709 0.010 . . . . . A 9 LEU N . 25515 1 98 . 1 1 15 15 SER H H 1 8.187 0.003 . . . . . A 10 SER H . 25515 1 99 . 1 1 15 15 SER HA H 1 4.561 0.015 . . . . . A 10 SER HA . 25515 1 100 . 1 1 15 15 SER HB2 H 1 3.913 0.015 . . . . . A 10 SER HB2 . 25515 1 101 . 1 1 15 15 SER HB3 H 1 3.815 0.032 . . . . . A 10 SER HB3 . 25515 1 102 . 1 1 15 15 SER C C 13 177.096 0.000 . . . . . A 10 SER C . 25515 1 103 . 1 1 15 15 SER CA C 13 58.016 0.030 . . . . . A 10 SER CA . 25515 1 104 . 1 1 15 15 SER CB C 13 64.062 0.159 . . . . . A 10 SER CB . 25515 1 105 . 1 1 15 15 SER N N 15 115.478 0.039 . . . . . A 10 SER N . 25515 1 106 . 1 1 16 16 THR H H 1 8.180 0.003 . . . . . A 11 THR H . 25515 1 107 . 1 1 16 16 THR HA H 1 4.516 0.007 . . . . . A 11 THR HA . 25515 1 108 . 1 1 16 16 THR HB H 1 4.355 0.002 . . . . . A 11 THR HB . 25515 1 109 . 1 1 16 16 THR HG21 H 1 1.186 0.008 . . . . . A 11 THR HG21 . 25515 1 110 . 1 1 16 16 THR HG22 H 1 1.186 0.008 . . . . . A 11 THR HG22 . 25515 1 111 . 1 1 16 16 THR HG23 H 1 1.186 0.008 . . . . . A 11 THR HG23 . 25515 1 112 . 1 1 16 16 THR C C 13 177.232 0.013 . . . . . A 11 THR C . 25515 1 113 . 1 1 16 16 THR CA C 13 61.740 0.081 . . . . . A 11 THR CA . 25515 1 114 . 1 1 16 16 THR CB C 13 69.478 0.012 . . . . . A 11 THR CB . 25515 1 115 . 1 1 16 16 THR CG2 C 13 21.879 0.021 . . . . . A 11 THR CG2 . 25515 1 116 . 1 1 16 16 THR N N 15 114.393 0.018 . . . . . A 11 THR N . 25515 1 117 . 1 1 17 17 SER H H 1 8.171 0.005 . . . . . A 12 SER H . 25515 1 118 . 1 1 17 17 SER HA H 1 4.391 0.014 . . . . . A 12 SER HA . 25515 1 119 . 1 1 17 17 SER HB2 H 1 3.880 0.019 . . . . . A 12 SER HB2 . 25515 1 120 . 1 1 17 17 SER HB3 H 1 3.814 0.015 . . . . . A 12 SER HB3 . 25515 1 121 . 1 1 17 17 SER C C 13 176.856 0.000 . . . . . A 12 SER C . 25515 1 122 . 1 1 17 17 SER CA C 13 58.537 0.053 . . . . . A 12 SER CA . 25515 1 123 . 1 1 17 17 SER CB C 13 63.915 0.092 . . . . . A 12 SER CB . 25515 1 124 . 1 1 17 17 SER N N 15 117.125 0.023 . . . . . A 12 SER N . 25515 1 125 . 1 1 18 18 GLY H H 1 8.381 0.004 . . . . . A 13 GLY H . 25515 1 126 . 1 1 18 18 GLY HA2 H 1 3.862 0.015 . . . . . A 13 GLY HA2 . 25515 1 127 . 1 1 18 18 GLY HA3 H 1 3.769 0.032 . . . . . A 13 GLY HA3 . 25515 1 128 . 1 1 18 18 GLY C C 13 178.243 0.000 . . . . . A 13 GLY C . 25515 1 129 . 1 1 18 18 GLY CA C 13 45.480 0.099 . . . . . A 13 GLY CA . 25515 1 130 . 1 1 18 18 GLY N N 15 111.544 0.019 . . . . . A 13 GLY N . 25515 1 131 . 1 1 19 19 GLU H H 1 8.149 0.005 . . . . . A 14 GLU H . 25515 1 132 . 1 1 19 19 GLU HA H 1 4.440 0.018 . . . . . A 14 GLU HA . 25515 1 133 . 1 1 19 19 GLU HB2 H 1 1.967 0.033 . . . . . A 14 GLU HB2 . 25515 1 134 . 1 1 19 19 GLU HB3 H 1 1.828 0.002 . . . . . A 14 GLU HB3 . 25515 1 135 . 1 1 19 19 GLU HG2 H 1 2.187 0.005 . . . . . A 14 GLU HG2 . 25515 1 136 . 1 1 19 19 GLU HG3 H 1 2.187 0.005 . . . . . A 14 GLU HG3 . 25515 1 137 . 1 1 19 19 GLU C C 13 174.876 0.003 . . . . . A 14 GLU C . 25515 1 138 . 1 1 19 19 GLU CA C 13 56.424 0.016 . . . . . A 14 GLU CA . 25515 1 139 . 1 1 19 19 GLU CB C 13 30.978 0.014 . . . . . A 14 GLU CB . 25515 1 140 . 1 1 19 19 GLU CG C 13 36.351 0.084 . . . . . A 14 GLU CG . 25515 1 141 . 1 1 19 19 GLU N N 15 119.223 0.016 . . . . . A 14 GLU N . 25515 1 142 . 1 1 20 20 SER H H 1 8.437 0.005 . . . . . A 15 SER H . 25515 1 143 . 1 1 20 20 SER N N 15 117.752 0.010 . . . . . A 15 SER N . 25515 1 144 . 1 1 21 21 LEU H H 1 8.233 0.004 . . . . . A 16 LEU H . 25515 1 145 . 1 1 21 21 LEU HA H 1 3.861 0.015 . . . . . A 16 LEU HA . 25515 1 146 . 1 1 21 21 LEU HB2 H 1 0.906 0.013 . . . . . A 16 LEU HB2 . 25515 1 147 . 1 1 21 21 LEU HB3 H 1 0.808 0.051 . . . . . A 16 LEU HB3 . 25515 1 148 . 1 1 21 21 LEU HG H 1 1.314 0.021 . . . . . A 16 LEU HG . 25515 1 149 . 1 1 21 21 LEU HD11 H 1 0.494 0.010 . . . . . A 16 LEU HD11 . 25515 1 150 . 1 1 21 21 LEU HD12 H 1 0.494 0.010 . . . . . A 16 LEU HD12 . 25515 1 151 . 1 1 21 21 LEU HD13 H 1 0.494 0.010 . . . . . A 16 LEU HD13 . 25515 1 152 . 1 1 21 21 LEU HD21 H 1 -0.123 0.003 . . . . . A 16 LEU HD21 . 25515 1 153 . 1 1 21 21 LEU HD22 H 1 -0.123 0.003 . . . . . A 16 LEU HD22 . 25515 1 154 . 1 1 21 21 LEU HD23 H 1 -0.123 0.003 . . . . . A 16 LEU HD23 . 25515 1 155 . 1 1 21 21 LEU C C 13 174.423 0.000 . . . . . A 16 LEU C . 25515 1 156 . 1 1 21 21 LEU CA C 13 57.425 0.009 . . . . . A 16 LEU CA . 25515 1 157 . 1 1 21 21 LEU CB C 13 41.676 0.003 . . . . . A 16 LEU CB . 25515 1 158 . 1 1 21 21 LEU CG C 13 26.491 0.018 . . . . . A 16 LEU CG . 25515 1 159 . 1 1 21 21 LEU CD1 C 13 21.839 0.022 . . . . . A 16 LEU CD1 . 25515 1 160 . 1 1 21 21 LEU CD2 C 13 25.366 0.014 . . . . . A 16 LEU CD2 . 25515 1 161 . 1 1 21 21 LEU N N 15 121.072 0.009 . . . . . A 16 LEU N . 25515 1 162 . 1 1 22 22 TYR H H 1 6.929 0.014 . . . . . A 17 TYR H . 25515 1 163 . 1 1 22 22 TYR HA H 1 3.662 0.011 . . . . . A 17 TYR HA . 25515 1 164 . 1 1 22 22 TYR HB2 H 1 2.569 0.011 . . . . . A 17 TYR HB2 . 25515 1 165 . 1 1 22 22 TYR HB3 H 1 2.569 0.011 . . . . . A 17 TYR HB3 . 25515 1 166 . 1 1 22 22 TYR HD1 H 1 6.857 0.013 . . . . . A 17 TYR HD1 . 25515 1 167 . 1 1 22 22 TYR HD2 H 1 6.857 0.013 . . . . . A 17 TYR HD2 . 25515 1 168 . 1 1 22 22 TYR HE1 H 1 6.821 0.038 . . . . . A 17 TYR HE1 . 25515 1 169 . 1 1 22 22 TYR HE2 H 1 6.821 0.038 . . . . . A 17 TYR HE2 . 25515 1 170 . 1 1 22 22 TYR C C 13 173.256 0.000 . . . . . A 17 TYR C . 25515 1 171 . 1 1 22 22 TYR CA C 13 61.866 0.018 . . . . . A 17 TYR CA . 25515 1 172 . 1 1 22 22 TYR CB C 13 37.407 0.000 . . . . . A 17 TYR CB . 25515 1 173 . 1 1 22 22 TYR CD1 C 13 132.828 0.083 . . . . . A 17 TYR CD1 . 25515 1 174 . 1 1 22 22 TYR CD2 C 13 132.828 0.083 . . . . . A 17 TYR CD2 . 25515 1 175 . 1 1 22 22 TYR CE1 C 13 118.326 0.045 . . . . . A 17 TYR CE1 . 25515 1 176 . 1 1 22 22 TYR CE2 C 13 118.326 0.045 . . . . . A 17 TYR CE2 . 25515 1 177 . 1 1 22 22 TYR N N 15 111.961 0.009 . . . . . A 17 TYR N . 25515 1 178 . 1 1 23 23 HIS H H 1 7.672 0.022 . . . . . A 18 HIS H . 25515 1 179 . 1 1 23 23 HIS HA H 1 4.439 0.016 . . . . . A 18 HIS HA . 25515 1 180 . 1 1 23 23 HIS HB2 H 1 3.345 0.014 . . . . . A 18 HIS HB2 . 25515 1 181 . 1 1 23 23 HIS HB3 H 1 3.345 0.014 . . . . . A 18 HIS HB3 . 25515 1 182 . 1 1 23 23 HIS HD2 H 1 7.278 0.001 . . . . . A 18 HIS HD2 . 25515 1 183 . 1 1 23 23 HIS CA C 13 58.914 0.029 . . . . . A 18 HIS CA . 25515 1 184 . 1 1 23 23 HIS CB C 13 29.615 0.027 . . . . . A 18 HIS CB . 25515 1 185 . 1 1 23 23 HIS CD2 C 13 119.391 0.021 . . . . . A 18 HIS CD2 . 25515 1 186 . 1 1 23 23 HIS N N 15 119.254 0.050 . . . . . A 18 HIS N . 25515 1 187 . 1 1 24 24 VAL H H 1 7.883 0.019 . . . . . A 19 VAL H . 25515 1 188 . 1 1 24 24 VAL HA H 1 3.705 0.007 . . . . . A 19 VAL HA . 25515 1 189 . 1 1 24 24 VAL HB H 1 2.176 0.005 . . . . . A 19 VAL HB . 25515 1 190 . 1 1 24 24 VAL HG11 H 1 0.990 0.017 . . . . . A 19 VAL HG11 . 25515 1 191 . 1 1 24 24 VAL HG12 H 1 0.990 0.017 . . . . . A 19 VAL HG12 . 25515 1 192 . 1 1 24 24 VAL HG13 H 1 0.990 0.017 . . . . . A 19 VAL HG13 . 25515 1 193 . 1 1 24 24 VAL HG21 H 1 0.833 0.022 . . . . . A 19 VAL HG21 . 25515 1 194 . 1 1 24 24 VAL HG22 H 1 0.833 0.022 . . . . . A 19 VAL HG22 . 25515 1 195 . 1 1 24 24 VAL HG23 H 1 0.833 0.022 . . . . . A 19 VAL HG23 . 25515 1 196 . 1 1 24 24 VAL C C 13 175.643 0.000 . . . . . A 19 VAL C . 25515 1 197 . 1 1 24 24 VAL CA C 13 65.533 0.020 . . . . . A 19 VAL CA . 25515 1 198 . 1 1 24 24 VAL CB C 13 31.465 0.035 . . . . . A 19 VAL CB . 25515 1 199 . 1 1 24 24 VAL CG1 C 13 22.473 0.017 . . . . . A 19 VAL CG1 . 25515 1 200 . 1 1 24 24 VAL CG2 C 13 21.846 0.094 . . . . . A 19 VAL CG2 . 25515 1 201 . 1 1 24 24 VAL N N 15 120.746 0.015 . . . . . A 19 VAL N . 25515 1 202 . 1 1 25 25 LEU H H 1 6.626 0.006 . . . . . A 20 LEU H . 25515 1 203 . 1 1 25 25 LEU HA H 1 4.361 0.014 . . . . . A 20 LEU HA . 25515 1 204 . 1 1 25 25 LEU HB2 H 1 1.682 0.014 . . . . . A 20 LEU HB2 . 25515 1 205 . 1 1 25 25 LEU HB3 H 1 1.682 0.014 . . . . . A 20 LEU HB3 . 25515 1 206 . 1 1 25 25 LEU HD11 H 1 0.839 0.019 . . . . . A 20 LEU HD11 . 25515 1 207 . 1 1 25 25 LEU HD12 H 1 0.839 0.019 . . . . . A 20 LEU HD12 . 25515 1 208 . 1 1 25 25 LEU HD13 H 1 0.839 0.019 . . . . . A 20 LEU HD13 . 25515 1 209 . 1 1 25 25 LEU HD21 H 1 0.914 0.016 . . . . . A 20 LEU HD21 . 25515 1 210 . 1 1 25 25 LEU HD22 H 1 0.914 0.016 . . . . . A 20 LEU HD22 . 25515 1 211 . 1 1 25 25 LEU HD23 H 1 0.914 0.016 . . . . . A 20 LEU HD23 . 25515 1 212 . 1 1 25 25 LEU C C 13 175.746 0.017 . . . . . A 20 LEU C . 25515 1 213 . 1 1 25 25 LEU CA C 13 53.281 0.093 . . . . . A 20 LEU CA . 25515 1 214 . 1 1 25 25 LEU CB C 13 42.900 0.000 . . . . . A 20 LEU CB . 25515 1 215 . 1 1 25 25 LEU CD1 C 13 27.589 0.031 . . . . . A 20 LEU CD1 . 25515 1 216 . 1 1 25 25 LEU CD2 C 13 22.769 0.174 . . . . . A 20 LEU CD2 . 25515 1 217 . 1 1 25 25 LEU N N 15 114.576 0.009 . . . . . A 20 LEU N . 25515 1 218 . 1 1 26 26 GLY H H 1 7.991 0.007 . . . . . A 21 GLY H . 25515 1 219 . 1 1 26 26 GLY HA2 H 1 3.878 0.028 . . . . . A 21 GLY HA2 . 25515 1 220 . 1 1 26 26 GLY HA3 H 1 3.822 0.013 . . . . . A 21 GLY HA3 . 25515 1 221 . 1 1 26 26 GLY C C 13 177.637 0.000 . . . . . A 21 GLY C . 25515 1 222 . 1 1 26 26 GLY CA C 13 46.283 0.027 . . . . . A 21 GLY CA . 25515 1 223 . 1 1 26 26 GLY N N 15 109.239 0.011 . . . . . A 21 GLY N . 25515 1 224 . 1 1 27 27 LEU H H 1 7.765 0.007 . . . . . A 22 LEU H . 25515 1 225 . 1 1 27 27 LEU HA H 1 4.767 0.005 . . . . . A 22 LEU HA . 25515 1 226 . 1 1 27 27 LEU HB2 H 1 1.852 0.005 . . . . . A 22 LEU HB2 . 25515 1 227 . 1 1 27 27 LEU HB3 H 1 1.563 0.028 . . . . . A 22 LEU HB3 . 25515 1 228 . 1 1 27 27 LEU HD11 H 1 0.897 0.011 . . . . . A 22 LEU HD11 . 25515 1 229 . 1 1 27 27 LEU HD12 H 1 0.897 0.011 . . . . . A 22 LEU HD12 . 25515 1 230 . 1 1 27 27 LEU HD13 H 1 0.897 0.011 . . . . . A 22 LEU HD13 . 25515 1 231 . 1 1 27 27 LEU HD21 H 1 0.855 0.012 . . . . . A 22 LEU HD21 . 25515 1 232 . 1 1 27 27 LEU HD22 H 1 0.855 0.012 . . . . . A 22 LEU HD22 . 25515 1 233 . 1 1 27 27 LEU HD23 H 1 0.855 0.012 . . . . . A 22 LEU HD23 . 25515 1 234 . 1 1 27 27 LEU C C 13 177.306 0.000 . . . . . A 22 LEU C . 25515 1 235 . 1 1 27 27 LEU CA C 13 52.882 0.000 . . . . . A 22 LEU CA . 25515 1 236 . 1 1 27 27 LEU CB C 13 45.907 0.027 . . . . . A 22 LEU CB . 25515 1 237 . 1 1 27 27 LEU CD1 C 13 22.569 0.115 . . . . . A 22 LEU CD1 . 25515 1 238 . 1 1 27 27 LEU CD2 C 13 27.594 0.026 . . . . . A 22 LEU CD2 . 25515 1 239 . 1 1 27 27 LEU N N 15 119.495 0.009 . . . . . A 22 LEU N . 25515 1 240 . 1 1 28 28 ASP H H 1 7.977 0.005 . . . . . A 23 ASP H . 25515 1 241 . 1 1 28 28 ASP HA H 1 4.589 0.025 . . . . . A 23 ASP HA . 25515 1 242 . 1 1 28 28 ASP HB2 H 1 2.783 0.025 . . . . . A 23 ASP HB2 . 25515 1 243 . 1 1 28 28 ASP HB3 H 1 2.568 0.004 . . . . . A 23 ASP HB3 . 25515 1 244 . 1 1 28 28 ASP C C 13 176.597 0.000 . . . . . A 23 ASP C . 25515 1 245 . 1 1 28 28 ASP CA C 13 52.031 0.021 . . . . . A 23 ASP CA . 25515 1 246 . 1 1 28 28 ASP CB C 13 43.481 0.012 . . . . . A 23 ASP CB . 25515 1 247 . 1 1 28 28 ASP N N 15 118.518 0.011 . . . . . A 23 ASP N . 25515 1 248 . 1 1 29 29 LYS H H 1 7.811 0.007 . . . . . A 24 LYS H . 25515 1 249 . 1 1 29 29 LYS HA H 1 2.152 0.006 . . . . . A 24 LYS HA . 25515 1 250 . 1 1 29 29 LYS HB2 H 1 1.449 0.031 . . . . . A 24 LYS HB2 . 25515 1 251 . 1 1 29 29 LYS HB3 H 1 1.312 0.029 . . . . . A 24 LYS HB3 . 25515 1 252 . 1 1 29 29 LYS HG2 H 1 1.156 0.002 . . . . . A 24 LYS HG2 . 25515 1 253 . 1 1 29 29 LYS HG3 H 1 1.002 0.006 . . . . . A 24 LYS HG3 . 25515 1 254 . 1 1 29 29 LYS HE2 H 1 2.868 0.004 . . . . . A 24 LYS HE2 . 25515 1 255 . 1 1 29 29 LYS HE3 H 1 2.868 0.004 . . . . . A 24 LYS HE3 . 25515 1 256 . 1 1 29 29 LYS C C 13 176.231 0.000 . . . . . A 24 LYS C . 25515 1 257 . 1 1 29 29 LYS CA C 13 57.067 0.018 . . . . . A 24 LYS CA . 25515 1 258 . 1 1 29 29 LYS CB C 13 32.362 0.041 . . . . . A 24 LYS CB . 25515 1 259 . 1 1 29 29 LYS CG C 13 23.861 0.026 . . . . . A 24 LYS CG . 25515 1 260 . 1 1 29 29 LYS CE C 13 42.020 0.055 . . . . . A 24 LYS CE . 25515 1 261 . 1 1 29 29 LYS N N 15 115.499 0.025 . . . . . A 24 LYS N . 25515 1 262 . 1 1 30 30 ASN H H 1 7.817 0.010 . . . . . A 25 ASN H . 25515 1 263 . 1 1 30 30 ASN HA H 1 4.525 0.004 . . . . . A 25 ASN HA . 25515 1 264 . 1 1 30 30 ASN HB2 H 1 2.735 0.012 . . . . . A 25 ASN HB2 . 25515 1 265 . 1 1 30 30 ASN HB3 H 1 2.732 0.006 . . . . . A 25 ASN HB3 . 25515 1 266 . 1 1 30 30 ASN HD21 H 1 7.514 0.006 . . . . . A 25 ASN HD21 . 25515 1 267 . 1 1 30 30 ASN HD22 H 1 6.833 0.012 . . . . . A 25 ASN HD22 . 25515 1 268 . 1 1 30 30 ASN C C 13 176.698 0.000 . . . . . A 25 ASN C . 25515 1 269 . 1 1 30 30 ASN CA C 13 52.873 0.017 . . . . . A 25 ASN CA . 25515 1 270 . 1 1 30 30 ASN CB C 13 38.074 0.027 . . . . . A 25 ASN CB . 25515 1 271 . 1 1 30 30 ASN N N 15 115.622 0.054 . . . . . A 25 ASN N . 25515 1 272 . 1 1 30 30 ASN ND2 N 15 113.817 0.006 . . . . . A 25 ASN ND2 . 25515 1 273 . 1 1 31 31 ALA H H 1 7.646 0.004 . . . . . A 26 ALA H . 25515 1 274 . 1 1 31 31 ALA HA H 1 4.359 0.006 . . . . . A 26 ALA HA . 25515 1 275 . 1 1 31 31 ALA HB1 H 1 1.702 0.005 . . . . . A 26 ALA HB1 . 25515 1 276 . 1 1 31 31 ALA HB2 H 1 1.702 0.005 . . . . . A 26 ALA HB2 . 25515 1 277 . 1 1 31 31 ALA HB3 H 1 1.702 0.005 . . . . . A 26 ALA HB3 . 25515 1 278 . 1 1 31 31 ALA C C 13 173.847 0.000 . . . . . A 26 ALA C . 25515 1 279 . 1 1 31 31 ALA CA C 13 52.917 0.043 . . . . . A 26 ALA CA . 25515 1 280 . 1 1 31 31 ALA CB C 13 20.967 0.013 . . . . . A 26 ALA CB . 25515 1 281 . 1 1 31 31 ALA N N 15 122.970 0.016 . . . . . A 26 ALA N . 25515 1 282 . 1 1 32 32 THR H H 1 9.089 0.005 . . . . . A 27 THR H . 25515 1 283 . 1 1 32 32 THR HA H 1 4.657 0.054 . . . . . A 27 THR HA . 25515 1 284 . 1 1 32 32 THR HB H 1 4.699 0.065 . . . . . A 27 THR HB . 25515 1 285 . 1 1 32 32 THR HG21 H 1 1.378 0.005 . . . . . A 27 THR HG21 . 25515 1 286 . 1 1 32 32 THR HG22 H 1 1.378 0.005 . . . . . A 27 THR HG22 . 25515 1 287 . 1 1 32 32 THR HG23 H 1 1.378 0.005 . . . . . A 27 THR HG23 . 25515 1 288 . 1 1 32 32 THR C C 13 175.986 0.000 . . . . . A 27 THR C . 25515 1 289 . 1 1 32 32 THR CA C 13 60.427 0.000 . . . . . A 27 THR CA . 25515 1 290 . 1 1 32 32 THR CB C 13 71.702 0.000 . . . . . A 27 THR CB . 25515 1 291 . 1 1 32 32 THR CG2 C 13 21.827 0.003 . . . . . A 27 THR CG2 . 25515 1 292 . 1 1 32 32 THR N N 15 113.252 0.015 . . . . . A 27 THR N . 25515 1 293 . 1 1 33 33 SER H H 1 9.095 0.004 . . . . . A 28 SER H . 25515 1 294 . 1 1 33 33 SER HA H 1 3.930 0.018 . . . . . A 28 SER HA . 25515 1 295 . 1 1 33 33 SER HB2 H 1 4.054 0.015 . . . . . A 28 SER HB2 . 25515 1 296 . 1 1 33 33 SER HB3 H 1 4.057 0.011 . . . . . A 28 SER HB3 . 25515 1 297 . 1 1 33 33 SER C C 13 175.440 0.000 . . . . . A 28 SER C . 25515 1 298 . 1 1 33 33 SER CA C 13 62.515 0.021 . . . . . A 28 SER CA . 25515 1 299 . 1 1 33 33 SER CB C 13 62.713 0.228 . . . . . A 28 SER CB . 25515 1 300 . 1 1 33 33 SER N N 15 115.961 0.009 . . . . . A 28 SER N . 25515 1 301 . 1 1 34 34 ASP H H 1 8.122 0.013 . . . . . A 29 ASP H . 25515 1 302 . 1 1 34 34 ASP HA H 1 4.403 0.022 . . . . . A 29 ASP HA . 25515 1 303 . 1 1 34 34 ASP HB2 H 1 2.556 0.011 . . . . . A 29 ASP HB2 . 25515 1 304 . 1 1 34 34 ASP HB3 H 1 2.556 0.011 . . . . . A 29 ASP HB3 . 25515 1 305 . 1 1 34 34 ASP C C 13 173.862 0.000 . . . . . A 29 ASP C . 25515 1 306 . 1 1 34 34 ASP CA C 13 57.783 0.255 . . . . . A 29 ASP CA . 25515 1 307 . 1 1 34 34 ASP CB C 13 41.051 0.041 . . . . . A 29 ASP CB . 25515 1 308 . 1 1 34 34 ASP N N 15 119.797 0.055 . . . . . A 29 ASP N . 25515 1 309 . 1 1 35 35 ASP H H 1 7.851 0.005 . . . . . A 30 ASP H . 25515 1 310 . 1 1 35 35 ASP HA H 1 4.347 0.011 . . . . . A 30 ASP HA . 25515 1 311 . 1 1 35 35 ASP HB2 H 1 3.176 0.011 . . . . . A 30 ASP HB2 . 25515 1 312 . 1 1 35 35 ASP HB3 H 1 2.633 0.022 . . . . . A 30 ASP HB3 . 25515 1 313 . 1 1 35 35 ASP C C 13 172.627 0.000 . . . . . A 30 ASP C . 25515 1 314 . 1 1 35 35 ASP CA C 13 57.689 0.029 . . . . . A 30 ASP CA . 25515 1 315 . 1 1 35 35 ASP CB C 13 40.982 0.138 . . . . . A 30 ASP CB . 25515 1 316 . 1 1 35 35 ASP N N 15 120.847 0.009 . . . . . A 30 ASP N . 25515 1 317 . 1 1 36 36 ILE H H 1 8.122 0.009 . . . . . A 31 ILE H . 25515 1 318 . 1 1 36 36 ILE HA H 1 3.516 0.005 . . . . . A 31 ILE HA . 25515 1 319 . 1 1 36 36 ILE HB H 1 1.906 0.012 . . . . . A 31 ILE HB . 25515 1 320 . 1 1 36 36 ILE HG21 H 1 0.715 0.005 . . . . . A 31 ILE HG21 . 25515 1 321 . 1 1 36 36 ILE HG22 H 1 0.715 0.005 . . . . . A 31 ILE HG22 . 25515 1 322 . 1 1 36 36 ILE HG23 H 1 0.715 0.005 . . . . . A 31 ILE HG23 . 25515 1 323 . 1 1 36 36 ILE HD11 H 1 0.709 0.008 . . . . . A 31 ILE HD11 . 25515 1 324 . 1 1 36 36 ILE HD12 H 1 0.709 0.008 . . . . . A 31 ILE HD12 . 25515 1 325 . 1 1 36 36 ILE HD13 H 1 0.709 0.008 . . . . . A 31 ILE HD13 . 25515 1 326 . 1 1 36 36 ILE C C 13 174.709 0.000 . . . . . A 31 ILE C . 25515 1 327 . 1 1 36 36 ILE CA C 13 65.486 0.010 . . . . . A 31 ILE CA . 25515 1 328 . 1 1 36 36 ILE CB C 13 38.241 0.039 . . . . . A 31 ILE CB . 25515 1 329 . 1 1 36 36 ILE CG2 C 13 17.954 0.011 . . . . . A 31 ILE CG2 . 25515 1 330 . 1 1 36 36 ILE CD1 C 13 14.419 0.011 . . . . . A 31 ILE CD1 . 25515 1 331 . 1 1 36 36 ILE N N 15 121.776 0.007 . . . . . A 31 ILE N . 25515 1 332 . 1 1 37 37 LYS H H 1 8.172 0.010 . . . . . A 32 LYS H . 25515 1 333 . 1 1 37 37 LYS HA H 1 4.077 0.019 . . . . . A 32 LYS HA . 25515 1 334 . 1 1 37 37 LYS HB2 H 1 1.976 0.013 . . . . . A 32 LYS HB2 . 25515 1 335 . 1 1 37 37 LYS HB3 H 1 1.972 0.027 . . . . . A 32 LYS HB3 . 25515 1 336 . 1 1 37 37 LYS HG2 H 1 1.712 0.012 . . . . . A 32 LYS HG2 . 25515 1 337 . 1 1 37 37 LYS HG3 H 1 1.713 0.011 . . . . . A 32 LYS HG3 . 25515 1 338 . 1 1 37 37 LYS HE2 H 1 2.899 0.020 . . . . . A 32 LYS HE2 . 25515 1 339 . 1 1 37 37 LYS HE3 H 1 2.902 0.022 . . . . . A 32 LYS HE3 . 25515 1 340 . 1 1 37 37 LYS C C 13 172.959 0.000 . . . . . A 32 LYS C . 25515 1 341 . 1 1 37 37 LYS CA C 13 60.835 0.014 . . . . . A 32 LYS CA . 25515 1 342 . 1 1 37 37 LYS CB C 13 32.504 0.196 . . . . . A 32 LYS CB . 25515 1 343 . 1 1 37 37 LYS CG C 13 26.207 0.018 . . . . . A 32 LYS CG . 25515 1 344 . 1 1 37 37 LYS CE C 13 42.059 0.036 . . . . . A 32 LYS CE . 25515 1 345 . 1 1 37 37 LYS N N 15 119.510 0.054 . . . . . A 32 LYS N . 25515 1 346 . 1 1 38 38 LYS H H 1 8.342 0.002 . . . . . A 33 LYS H . 25515 1 347 . 1 1 38 38 LYS HA H 1 3.968 0.018 . . . . . A 33 LYS HA . 25515 1 348 . 1 1 38 38 LYS HB2 H 1 1.931 0.027 . . . . . A 33 LYS HB2 . 25515 1 349 . 1 1 38 38 LYS HB3 H 1 1.928 0.026 . . . . . A 33 LYS HB3 . 25515 1 350 . 1 1 38 38 LYS HG2 H 1 1.626 0.017 . . . . . A 33 LYS HG2 . 25515 1 351 . 1 1 38 38 LYS HG3 H 1 1.407 0.007 . . . . . A 33 LYS HG3 . 25515 1 352 . 1 1 38 38 LYS HE2 H 1 2.933 0.010 . . . . . A 33 LYS HE2 . 25515 1 353 . 1 1 38 38 LYS HE3 H 1 2.933 0.010 . . . . . A 33 LYS HE3 . 25515 1 354 . 1 1 38 38 LYS C C 13 172.323 0.000 . . . . . A 33 LYS C . 25515 1 355 . 1 1 38 38 LYS CA C 13 60.006 0.050 . . . . . A 33 LYS CA . 25515 1 356 . 1 1 38 38 LYS CB C 13 32.713 0.239 . . . . . A 33 LYS CB . 25515 1 357 . 1 1 38 38 LYS CG C 13 25.754 0.062 . . . . . A 33 LYS CG . 25515 1 358 . 1 1 38 38 LYS CE C 13 42.045 0.028 . . . . . A 33 LYS CE . 25515 1 359 . 1 1 38 38 LYS N N 15 119.042 0.012 . . . . . A 33 LYS N . 25515 1 360 . 1 1 39 39 SER H H 1 8.161 0.013 . . . . . A 34 SER H . 25515 1 361 . 1 1 39 39 SER HA H 1 4.260 0.016 . . . . . A 34 SER HA . 25515 1 362 . 1 1 39 39 SER HB2 H 1 4.103 0.035 . . . . . A 34 SER HB2 . 25515 1 363 . 1 1 39 39 SER HB3 H 1 4.078 0.017 . . . . . A 34 SER HB3 . 25515 1 364 . 1 1 39 39 SER C C 13 175.503 0.000 . . . . . A 34 SER C . 25515 1 365 . 1 1 39 39 SER CA C 13 61.734 0.031 . . . . . A 34 SER CA . 25515 1 366 . 1 1 39 39 SER CB C 13 63.088 0.020 . . . . . A 34 SER CB . 25515 1 367 . 1 1 39 39 SER N N 15 115.060 0.039 . . . . . A 34 SER N . 25515 1 368 . 1 1 40 40 TYR H H 1 8.499 0.003 . . . . . A 35 TYR H . 25515 1 369 . 1 1 40 40 TYR HA H 1 3.874 0.016 . . . . . A 35 TYR HA . 25515 1 370 . 1 1 40 40 TYR HB2 H 1 2.932 0.015 . . . . . A 35 TYR HB2 . 25515 1 371 . 1 1 40 40 TYR HB3 H 1 2.891 0.041 . . . . . A 35 TYR HB3 . 25515 1 372 . 1 1 40 40 TYR HD1 H 1 6.483 0.004 . . . . . A 35 TYR HD1 . 25515 1 373 . 1 1 40 40 TYR HD2 H 1 6.483 0.004 . . . . . A 35 TYR HD2 . 25515 1 374 . 1 1 40 40 TYR HE1 H 1 6.331 0.004 . . . . . A 35 TYR HE1 . 25515 1 375 . 1 1 40 40 TYR HE2 H 1 6.331 0.004 . . . . . A 35 TYR HE2 . 25515 1 376 . 1 1 40 40 TYR C C 13 176.352 0.000 . . . . . A 35 TYR C . 25515 1 377 . 1 1 40 40 TYR CA C 13 61.869 0.040 . . . . . A 35 TYR CA . 25515 1 378 . 1 1 40 40 TYR CB C 13 38.790 0.072 . . . . . A 35 TYR CB . 25515 1 379 . 1 1 40 40 TYR CD1 C 13 132.502 0.105 . . . . . A 35 TYR CD1 . 25515 1 380 . 1 1 40 40 TYR CD2 C 13 132.502 0.105 . . . . . A 35 TYR CD2 . 25515 1 381 . 1 1 40 40 TYR CE1 C 13 117.346 0.105 . . . . . A 35 TYR CE1 . 25515 1 382 . 1 1 40 40 TYR CE2 C 13 117.346 0.105 . . . . . A 35 TYR CE2 . 25515 1 383 . 1 1 40 40 TYR N N 15 119.241 0.011 . . . . . A 35 TYR N . 25515 1 384 . 1 1 41 41 ARG H H 1 7.967 0.006 . . . . . A 36 ARG H . 25515 1 385 . 1 1 41 41 ARG HA H 1 3.453 0.007 . . . . . A 36 ARG HA . 25515 1 386 . 1 1 41 41 ARG HB2 H 1 1.860 0.011 . . . . . A 36 ARG HB2 . 25515 1 387 . 1 1 41 41 ARG HB3 H 1 1.832 0.034 . . . . . A 36 ARG HB3 . 25515 1 388 . 1 1 41 41 ARG HG2 H 1 1.861 0.010 . . . . . A 36 ARG HG2 . 25515 1 389 . 1 1 41 41 ARG HG3 H 1 1.609 0.050 . . . . . A 36 ARG HG3 . 25515 1 390 . 1 1 41 41 ARG HD2 H 1 3.158 0.025 . . . . . A 36 ARG HD2 . 25515 1 391 . 1 1 41 41 ARG HD3 H 1 3.130 0.013 . . . . . A 36 ARG HD3 . 25515 1 392 . 1 1 41 41 ARG C C 13 173.135 0.000 . . . . . A 36 ARG C . 25515 1 393 . 1 1 41 41 ARG CA C 13 59.610 0.033 . . . . . A 36 ARG CA . 25515 1 394 . 1 1 41 41 ARG CB C 13 29.879 0.035 . . . . . A 36 ARG CB . 25515 1 395 . 1 1 41 41 ARG CG C 13 27.735 0.081 . . . . . A 36 ARG CG . 25515 1 396 . 1 1 41 41 ARG CD C 13 43.541 0.063 . . . . . A 36 ARG CD . 25515 1 397 . 1 1 41 41 ARG N N 15 116.674 0.014 . . . . . A 36 ARG N . 25515 1 398 . 1 1 42 42 LYS H H 1 7.275 0.004 . . . . . A 37 LYS H . 25515 1 399 . 1 1 42 42 LYS HA H 1 3.970 0.016 . . . . . A 37 LYS HA . 25515 1 400 . 1 1 42 42 LYS HB2 H 1 1.892 0.015 . . . . . A 37 LYS HB2 . 25515 1 401 . 1 1 42 42 LYS HB3 H 1 1.897 0.012 . . . . . A 37 LYS HB3 . 25515 1 402 . 1 1 42 42 LYS HG2 H 1 1.557 0.009 . . . . . A 37 LYS HG2 . 25515 1 403 . 1 1 42 42 LYS HG3 H 1 1.326 0.002 . . . . . A 37 LYS HG3 . 25515 1 404 . 1 1 42 42 LYS HD2 H 1 1.676 0.009 . . . . . A 37 LYS HD2 . 25515 1 405 . 1 1 42 42 LYS HD3 H 1 1.676 0.009 . . . . . A 37 LYS HD3 . 25515 1 406 . 1 1 42 42 LYS HE2 H 1 2.930 0.009 . . . . . A 37 LYS HE2 . 25515 1 407 . 1 1 42 42 LYS HE3 H 1 2.930 0.009 . . . . . A 37 LYS HE3 . 25515 1 408 . 1 1 42 42 LYS C C 13 172.489 0.000 . . . . . A 37 LYS C . 25515 1 409 . 1 1 42 42 LYS CA C 13 59.377 0.115 . . . . . A 37 LYS CA . 25515 1 410 . 1 1 42 42 LYS CB C 13 32.757 0.021 . . . . . A 37 LYS CB . 25515 1 411 . 1 1 42 42 LYS CG C 13 25.052 0.014 . . . . . A 37 LYS CG . 25515 1 412 . 1 1 42 42 LYS CD C 13 29.447 0.054 . . . . . A 37 LYS CD . 25515 1 413 . 1 1 42 42 LYS CE C 13 42.035 0.036 . . . . . A 37 LYS CE . 25515 1 414 . 1 1 42 42 LYS N N 15 116.974 0.015 . . . . . A 37 LYS N . 25515 1 415 . 1 1 43 43 LEU H H 1 8.268 0.018 . . . . . A 38 LEU H . 25515 1 416 . 1 1 43 43 LEU HA H 1 4.023 0.015 . . . . . A 38 LEU HA . 25515 1 417 . 1 1 43 43 LEU HB2 H 1 1.813 0.009 . . . . . A 38 LEU HB2 . 25515 1 418 . 1 1 43 43 LEU HB3 H 1 1.491 0.007 . . . . . A 38 LEU HB3 . 25515 1 419 . 1 1 43 43 LEU HG H 1 1.482 0.000 . . . . . A 38 LEU HG . 25515 1 420 . 1 1 43 43 LEU HD11 H 1 0.931 0.015 . . . . . A 38 LEU HD11 . 25515 1 421 . 1 1 43 43 LEU HD12 H 1 0.931 0.015 . . . . . A 38 LEU HD12 . 25515 1 422 . 1 1 43 43 LEU HD13 H 1 0.931 0.015 . . . . . A 38 LEU HD13 . 25515 1 423 . 1 1 43 43 LEU HD21 H 1 0.915 0.018 . . . . . A 38 LEU HD21 . 25515 1 424 . 1 1 43 43 LEU HD22 H 1 0.915 0.018 . . . . . A 38 LEU HD22 . 25515 1 425 . 1 1 43 43 LEU HD23 H 1 0.915 0.018 . . . . . A 38 LEU HD23 . 25515 1 426 . 1 1 43 43 LEU C C 13 173.557 0.008 . . . . . A 38 LEU C . 25515 1 427 . 1 1 43 43 LEU CA C 13 57.404 0.056 . . . . . A 38 LEU CA . 25515 1 428 . 1 1 43 43 LEU CB C 13 42.368 0.130 . . . . . A 38 LEU CB . 25515 1 429 . 1 1 43 43 LEU CD1 C 13 26.651 0.105 . . . . . A 38 LEU CD1 . 25515 1 430 . 1 1 43 43 LEU CD2 C 13 26.796 0.173 . . . . . A 38 LEU CD2 . 25515 1 431 . 1 1 43 43 LEU N N 15 120.978 0.041 . . . . . A 38 LEU N . 25515 1 432 . 1 1 44 44 ALA H H 1 9.043 0.006 . . . . . A 39 ALA H . 25515 1 433 . 1 1 44 44 ALA HA H 1 3.885 0.019 . . . . . A 39 ALA HA . 25515 1 434 . 1 1 44 44 ALA HB1 H 1 0.932 0.010 . . . . . A 39 ALA HB1 . 25515 1 435 . 1 1 44 44 ALA HB2 H 1 0.932 0.010 . . . . . A 39 ALA HB2 . 25515 1 436 . 1 1 44 44 ALA HB3 H 1 0.932 0.010 . . . . . A 39 ALA HB3 . 25515 1 437 . 1 1 44 44 ALA C C 13 172.721 0.000 . . . . . A 39 ALA C . 25515 1 438 . 1 1 44 44 ALA CA C 13 55.440 0.120 . . . . . A 39 ALA CA . 25515 1 439 . 1 1 44 44 ALA CB C 13 16.950 0.013 . . . . . A 39 ALA CB . 25515 1 440 . 1 1 44 44 ALA N N 15 122.700 0.011 . . . . . A 39 ALA N . 25515 1 441 . 1 1 45 45 LEU H H 1 6.862 0.008 . . . . . A 40 LEU H . 25515 1 442 . 1 1 45 45 LEU HA H 1 4.032 0.014 . . . . . A 40 LEU HA . 25515 1 443 . 1 1 45 45 LEU HB2 H 1 1.677 0.023 . . . . . A 40 LEU HB2 . 25515 1 444 . 1 1 45 45 LEU HB3 H 1 1.503 0.016 . . . . . A 40 LEU HB3 . 25515 1 445 . 1 1 45 45 LEU HG H 1 1.666 0.005 . . . . . A 40 LEU HG . 25515 1 446 . 1 1 45 45 LEU HD11 H 1 0.818 0.035 . . . . . A 40 LEU HD11 . 25515 1 447 . 1 1 45 45 LEU HD12 H 1 0.818 0.035 . . . . . A 40 LEU HD12 . 25515 1 448 . 1 1 45 45 LEU HD13 H 1 0.818 0.035 . . . . . A 40 LEU HD13 . 25515 1 449 . 1 1 45 45 LEU HD21 H 1 0.788 0.035 . . . . . A 40 LEU HD21 . 25515 1 450 . 1 1 45 45 LEU HD22 H 1 0.788 0.035 . . . . . A 40 LEU HD22 . 25515 1 451 . 1 1 45 45 LEU HD23 H 1 0.788 0.035 . . . . . A 40 LEU HD23 . 25515 1 452 . 1 1 45 45 LEU C C 13 173.110 0.000 . . . . . A 40 LEU C . 25515 1 453 . 1 1 45 45 LEU CA C 13 57.309 0.058 . . . . . A 40 LEU CA . 25515 1 454 . 1 1 45 45 LEU CB C 13 42.034 0.060 . . . . . A 40 LEU CB . 25515 1 455 . 1 1 45 45 LEU CG C 13 26.787 0.054 . . . . . A 40 LEU CG . 25515 1 456 . 1 1 45 45 LEU CD1 C 13 24.648 0.027 . . . . . A 40 LEU CD1 . 25515 1 457 . 1 1 45 45 LEU CD2 C 13 23.723 0.016 . . . . . A 40 LEU CD2 . 25515 1 458 . 1 1 45 45 LEU N N 15 114.462 0.012 . . . . . A 40 LEU N . 25515 1 459 . 1 1 46 46 LYS H H 1 7.135 0.010 . . . . . A 41 LYS H . 25515 1 460 . 1 1 46 46 LYS HA H 1 3.842 0.009 . . . . . A 41 LYS HA . 25515 1 461 . 1 1 46 46 LYS HB2 H 1 1.543 0.024 . . . . . A 41 LYS HB2 . 25515 1 462 . 1 1 46 46 LYS HB3 H 1 1.530 0.032 . . . . . A 41 LYS HB3 . 25515 1 463 . 1 1 46 46 LYS HG2 H 1 1.024 0.024 . . . . . A 41 LYS HG2 . 25515 1 464 . 1 1 46 46 LYS HG3 H 1 0.433 0.004 . . . . . A 41 LYS HG3 . 25515 1 465 . 1 1 46 46 LYS HD2 H 1 1.411 0.029 . . . . . A 41 LYS HD2 . 25515 1 466 . 1 1 46 46 LYS HD3 H 1 1.240 0.007 . . . . . A 41 LYS HD3 . 25515 1 467 . 1 1 46 46 LYS HE2 H 1 2.774 0.012 . . . . . A 41 LYS HE2 . 25515 1 468 . 1 1 46 46 LYS HE3 H 1 2.772 0.015 . . . . . A 41 LYS HE3 . 25515 1 469 . 1 1 46 46 LYS C C 13 173.695 0.000 . . . . . A 41 LYS C . 25515 1 470 . 1 1 46 46 LYS CA C 13 58.742 0.017 . . . . . A 41 LYS CA . 25515 1 471 . 1 1 46 46 LYS CB C 13 32.987 0.047 . . . . . A 41 LYS CB . 25515 1 472 . 1 1 46 46 LYS CG C 13 24.519 0.092 . . . . . A 41 LYS CG . 25515 1 473 . 1 1 46 46 LYS CD C 13 29.529 0.023 . . . . . A 41 LYS CD . 25515 1 474 . 1 1 46 46 LYS CE C 13 42.006 0.012 . . . . . A 41 LYS CE . 25515 1 475 . 1 1 46 46 LYS N N 15 118.126 0.012 . . . . . A 41 LYS N . 25515 1 476 . 1 1 47 47 TYR H H 1 7.756 0.005 . . . . . A 42 TYR H . 25515 1 477 . 1 1 47 47 TYR HA H 1 4.490 0.011 . . . . . A 42 TYR HA . 25515 1 478 . 1 1 47 47 TYR HB2 H 1 3.671 0.005 . . . . . A 42 TYR HB2 . 25515 1 479 . 1 1 47 47 TYR HB3 H 1 2.461 0.031 . . . . . A 42 TYR HB3 . 25515 1 480 . 1 1 47 47 TYR HD1 H 1 7.044 0.030 . . . . . A 42 TYR HD1 . 25515 1 481 . 1 1 47 47 TYR HD2 H 1 7.044 0.030 . . . . . A 42 TYR HD2 . 25515 1 482 . 1 1 47 47 TYR HE1 H 1 6.739 0.023 . . . . . A 42 TYR HE1 . 25515 1 483 . 1 1 47 47 TYR HE2 H 1 6.739 0.023 . . . . . A 42 TYR HE2 . 25515 1 484 . 1 1 47 47 TYR C C 13 178.884 0.000 . . . . . A 42 TYR C . 25515 1 485 . 1 1 47 47 TYR CA C 13 58.013 0.082 . . . . . A 42 TYR CA . 25515 1 486 . 1 1 47 47 TYR CB C 13 38.510 0.046 . . . . . A 42 TYR CB . 25515 1 487 . 1 1 47 47 TYR CD1 C 13 132.729 0.150 . . . . . A 42 TYR CD1 . 25515 1 488 . 1 1 47 47 TYR CD2 C 13 132.729 0.150 . . . . . A 42 TYR CD2 . 25515 1 489 . 1 1 47 47 TYR CE1 C 13 117.888 0.116 . . . . . A 42 TYR CE1 . 25515 1 490 . 1 1 47 47 TYR CE2 C 13 117.888 0.116 . . . . . A 42 TYR CE2 . 25515 1 491 . 1 1 47 47 TYR N N 15 113.902 0.025 . . . . . A 42 TYR N . 25515 1 492 . 1 1 48 48 HIS H H 1 7.134 0.011 . . . . . A 43 HIS H . 25515 1 493 . 1 1 48 48 HIS HA H 1 3.472 0.008 . . . . . A 43 HIS HA . 25515 1 494 . 1 1 48 48 HIS HB2 H 1 2.542 0.012 . . . . . A 43 HIS HB2 . 25515 1 495 . 1 1 48 48 HIS HB3 H 1 2.543 0.015 . . . . . A 43 HIS HB3 . 25515 1 496 . 1 1 48 48 HIS HD2 H 1 6.990 0.019 . . . . . A 43 HIS HD2 . 25515 1 497 . 1 1 48 48 HIS HE1 H 1 7.603 0.002 . . . . . A 43 HIS HE1 . 25515 1 498 . 1 1 48 48 HIS CA C 13 56.899 0.011 . . . . . A 43 HIS CA . 25515 1 499 . 1 1 48 48 HIS CB C 13 31.125 0.113 . . . . . A 43 HIS CB . 25515 1 500 . 1 1 48 48 HIS CD2 C 13 118.123 0.017 . . . . . A 43 HIS CD2 . 25515 1 501 . 1 1 48 48 HIS CE1 C 13 138.969 0.048 . . . . . A 43 HIS CE1 . 25515 1 502 . 1 1 48 48 HIS N N 15 120.909 0.013 . . . . . A 43 HIS N . 25515 1 503 . 1 1 49 49 PRO HA H 1 3.998 0.013 . . . . . A 44 PRO HA . 25515 1 504 . 1 1 49 49 PRO HB2 H 1 2.077 0.023 . . . . . A 44 PRO HB2 . 25515 1 505 . 1 1 49 49 PRO HB3 H 1 1.782 0.002 . . . . . A 44 PRO HB3 . 25515 1 506 . 1 1 49 49 PRO HG2 H 1 1.542 0.007 . . . . . A 44 PRO HG2 . 25515 1 507 . 1 1 49 49 PRO HG3 H 1 1.542 0.007 . . . . . A 44 PRO HG3 . 25515 1 508 . 1 1 49 49 PRO HD2 H 1 2.222 0.006 . . . . . A 44 PRO HD2 . 25515 1 509 . 1 1 49 49 PRO HD3 H 1 1.605 0.033 . . . . . A 44 PRO HD3 . 25515 1 510 . 1 1 49 49 PRO C C 13 172.774 0.000 . . . . . A 44 PRO C . 25515 1 511 . 1 1 49 49 PRO CA C 13 65.605 0.015 . . . . . A 44 PRO CA . 25515 1 512 . 1 1 49 49 PRO CB C 13 31.610 0.093 . . . . . A 44 PRO CB . 25515 1 513 . 1 1 49 49 PRO CG C 13 27.065 0.024 . . . . . A 44 PRO CG . 25515 1 514 . 1 1 49 49 PRO CD C 13 49.961 0.018 . . . . . A 44 PRO CD . 25515 1 515 . 1 1 50 50 ASP H H 1 10.727 0.003 . . . . . A 45 ASP H . 25515 1 516 . 1 1 50 50 ASP HA H 1 4.357 0.005 . . . . . A 45 ASP HA . 25515 1 517 . 1 1 50 50 ASP HB2 H 1 2.615 0.018 . . . . . A 45 ASP HB2 . 25515 1 518 . 1 1 50 50 ASP HB3 H 1 2.611 0.019 . . . . . A 45 ASP HB3 . 25515 1 519 . 1 1 50 50 ASP C C 13 173.968 0.000 . . . . . A 45 ASP C . 25515 1 520 . 1 1 50 50 ASP CA C 13 56.771 0.038 . . . . . A 45 ASP CA . 25515 1 521 . 1 1 50 50 ASP CB C 13 40.123 0.131 . . . . . A 45 ASP CB . 25515 1 522 . 1 1 50 50 ASP N N 15 121.379 0.010 . . . . . A 45 ASP N . 25515 1 523 . 1 1 51 51 LYS H H 1 7.475 0.004 . . . . . A 46 LYS H . 25515 1 524 . 1 1 51 51 LYS HA H 1 4.358 0.006 . . . . . A 46 LYS HA . 25515 1 525 . 1 1 51 51 LYS HB2 H 1 1.970 0.009 . . . . . A 46 LYS HB2 . 25515 1 526 . 1 1 51 51 LYS HB3 H 1 1.629 0.017 . . . . . A 46 LYS HB3 . 25515 1 527 . 1 1 51 51 LYS HG2 H 1 1.410 0.018 . . . . . A 46 LYS HG2 . 25515 1 528 . 1 1 51 51 LYS HG3 H 1 1.277 0.002 . . . . . A 46 LYS HG3 . 25515 1 529 . 1 1 51 51 LYS HD2 H 1 1.581 0.006 . . . . . A 46 LYS HD2 . 25515 1 530 . 1 1 51 51 LYS HD3 H 1 1.579 0.018 . . . . . A 46 LYS HD3 . 25515 1 531 . 1 1 51 51 LYS HE2 H 1 2.792 0.008 . . . . . A 46 LYS HE2 . 25515 1 532 . 1 1 51 51 LYS HE3 H 1 2.864 0.005 . . . . . A 46 LYS HE3 . 25515 1 533 . 1 1 51 51 LYS C C 13 176.450 0.000 . . . . . A 46 LYS C . 25515 1 534 . 1 1 51 51 LYS CA C 13 54.774 0.084 . . . . . A 46 LYS CA . 25515 1 535 . 1 1 51 51 LYS CB C 13 33.189 0.055 . . . . . A 46 LYS CB . 25515 1 536 . 1 1 51 51 LYS CG C 13 24.632 0.084 . . . . . A 46 LYS CG . 25515 1 537 . 1 1 51 51 LYS CD C 13 28.199 0.020 . . . . . A 46 LYS CD . 25515 1 538 . 1 1 51 51 LYS CE C 13 42.031 0.030 . . . . . A 46 LYS CE . 25515 1 539 . 1 1 51 51 LYS N N 15 115.902 0.011 . . . . . A 46 LYS N . 25515 1 540 . 1 1 52 52 ASN H H 1 7.410 0.006 . . . . . A 47 ASN H . 25515 1 541 . 1 1 52 52 ASN HA H 1 5.150 0.009 . . . . . A 47 ASN HA . 25515 1 542 . 1 1 52 52 ASN HB2 H 1 2.535 0.013 . . . . . A 47 ASN HB2 . 25515 1 543 . 1 1 52 52 ASN HB3 H 1 2.264 0.026 . . . . . A 47 ASN HB3 . 25515 1 544 . 1 1 52 52 ASN HD21 H 1 7.584 0.007 . . . . . A 47 ASN HD21 . 25515 1 545 . 1 1 52 52 ASN HD22 H 1 7.042 0.006 . . . . . A 47 ASN HD22 . 25515 1 546 . 1 1 52 52 ASN C C 13 170.657 0.000 . . . . . A 47 ASN C . 25515 1 547 . 1 1 52 52 ASN CA C 13 51.540 0.000 . . . . . A 47 ASN CA . 25515 1 548 . 1 1 52 52 ASN CB C 13 41.556 0.066 . . . . . A 47 ASN CB . 25515 1 549 . 1 1 52 52 ASN N N 15 117.709 0.009 . . . . . A 47 ASN N . 25515 1 550 . 1 1 52 52 ASN ND2 N 15 116.558 0.021 . . . . . A 47 ASN ND2 . 25515 1 551 . 1 1 53 53 PRO HA H 1 4.366 0.003 . . . . . A 48 PRO HA . 25515 1 552 . 1 1 53 53 PRO HB2 H 1 2.179 0.025 . . . . . A 48 PRO HB2 . 25515 1 553 . 1 1 53 53 PRO HB3 H 1 1.891 0.017 . . . . . A 48 PRO HB3 . 25515 1 554 . 1 1 53 53 PRO HG2 H 1 1.916 0.011 . . . . . A 48 PRO HG2 . 25515 1 555 . 1 1 53 53 PRO HG3 H 1 1.916 0.011 . . . . . A 48 PRO HG3 . 25515 1 556 . 1 1 53 53 PRO HD2 H 1 3.521 0.012 . . . . . A 48 PRO HD2 . 25515 1 557 . 1 1 53 53 PRO HD3 H 1 3.235 0.004 . . . . . A 48 PRO HD3 . 25515 1 558 . 1 1 53 53 PRO C C 13 174.739 0.000 . . . . . A 48 PRO C . 25515 1 559 . 1 1 53 53 PRO CA C 13 64.112 0.039 . . . . . A 48 PRO CA . 25515 1 560 . 1 1 53 53 PRO CB C 13 31.524 0.018 . . . . . A 48 PRO CB . 25515 1 561 . 1 1 53 53 PRO CG C 13 27.412 0.013 . . . . . A 48 PRO CG . 25515 1 562 . 1 1 53 53 PRO CD C 13 50.511 0.022 . . . . . A 48 PRO CD . 25515 1 563 . 1 1 54 54 ASP H H 1 8.679 0.002 . . . . . A 49 ASP H . 25515 1 564 . 1 1 54 54 ASP HA H 1 4.377 0.009 . . . . . A 49 ASP HA . 25515 1 565 . 1 1 54 54 ASP HB2 H 1 2.800 0.002 . . . . . A 49 ASP HB2 . 25515 1 566 . 1 1 54 54 ASP HB3 H 1 2.566 0.010 . . . . . A 49 ASP HB3 . 25515 1 567 . 1 1 54 54 ASP C C 13 177.335 0.000 . . . . . A 49 ASP C . 25515 1 568 . 1 1 54 54 ASP CA C 13 54.585 0.073 . . . . . A 49 ASP CA . 25515 1 569 . 1 1 54 54 ASP CB C 13 40.254 0.053 . . . . . A 49 ASP CB . 25515 1 570 . 1 1 54 54 ASP N N 15 117.619 0.011 . . . . . A 49 ASP N . 25515 1 571 . 1 1 55 55 ASN H H 1 7.341 0.004 . . . . . A 50 ASN H . 25515 1 572 . 1 1 55 55 ASN HA H 1 5.200 0.010 . . . . . A 50 ASN HA . 25515 1 573 . 1 1 55 55 ASN HB2 H 1 2.894 0.007 . . . . . A 50 ASN HB2 . 25515 1 574 . 1 1 55 55 ASN HB3 H 1 2.545 0.006 . . . . . A 50 ASN HB3 . 25515 1 575 . 1 1 55 55 ASN HD21 H 1 7.910 0.002 . . . . . A 50 ASN HD21 . 25515 1 576 . 1 1 55 55 ASN HD22 H 1 7.109 0.008 . . . . . A 50 ASN HD22 . 25515 1 577 . 1 1 55 55 ASN C C 13 178.245 0.000 . . . . . A 50 ASN C . 25515 1 578 . 1 1 55 55 ASN CA C 13 50.135 0.000 . . . . . A 50 ASN CA . 25515 1 579 . 1 1 55 55 ASN CB C 13 39.576 0.046 . . . . . A 50 ASN CB . 25515 1 580 . 1 1 55 55 ASN N N 15 114.537 0.018 . . . . . A 50 ASN N . 25515 1 581 . 1 1 55 55 ASN ND2 N 15 112.406 0.017 . . . . . A 50 ASN ND2 . 25515 1 582 . 1 1 56 56 PRO HA H 1 4.364 0.003 . . . . . A 51 PRO HA . 25515 1 583 . 1 1 56 56 PRO HB2 H 1 2.338 0.002 . . . . . A 51 PRO HB2 . 25515 1 584 . 1 1 56 56 PRO HB3 H 1 2.007 0.015 . . . . . A 51 PRO HB3 . 25515 1 585 . 1 1 56 56 PRO HG2 H 1 2.082 0.010 . . . . . A 51 PRO HG2 . 25515 1 586 . 1 1 56 56 PRO HG3 H 1 1.997 0.002 . . . . . A 51 PRO HG3 . 25515 1 587 . 1 1 56 56 PRO HD2 H 1 3.966 0.004 . . . . . A 51 PRO HD2 . 25515 1 588 . 1 1 56 56 PRO HD3 H 1 3.781 0.005 . . . . . A 51 PRO HD3 . 25515 1 589 . 1 1 56 56 PRO C C 13 173.714 0.011 . . . . . A 51 PRO C . 25515 1 590 . 1 1 56 56 PRO CA C 13 64.618 0.122 . . . . . A 51 PRO CA . 25515 1 591 . 1 1 56 56 PRO CB C 13 32.101 0.067 . . . . . A 51 PRO CB . 25515 1 592 . 1 1 56 56 PRO CG C 13 27.105 0.014 . . . . . A 51 PRO CG . 25515 1 593 . 1 1 56 56 PRO CD C 13 51.013 0.013 . . . . . A 51 PRO CD . 25515 1 594 . 1 1 57 57 GLU H H 1 8.048 0.005 . . . . . A 52 GLU H . 25515 1 595 . 1 1 57 57 GLU HA H 1 4.188 0.009 . . . . . A 52 GLU HA . 25515 1 596 . 1 1 57 57 GLU HB2 H 1 2.079 0.019 . . . . . A 52 GLU HB2 . 25515 1 597 . 1 1 57 57 GLU HB3 H 1 2.080 0.020 . . . . . A 52 GLU HB3 . 25515 1 598 . 1 1 57 57 GLU HG2 H 1 2.263 0.022 . . . . . A 52 GLU HG2 . 25515 1 599 . 1 1 57 57 GLU HG3 H 1 2.241 0.020 . . . . . A 52 GLU HG3 . 25515 1 600 . 1 1 57 57 GLU C C 13 173.216 0.000 . . . . . A 52 GLU C . 25515 1 601 . 1 1 57 57 GLU CA C 13 58.950 0.030 . . . . . A 52 GLU CA . 25515 1 602 . 1 1 57 57 GLU CB C 13 29.199 0.150 . . . . . A 52 GLU CB . 25515 1 603 . 1 1 57 57 GLU CG C 13 36.731 0.056 . . . . . A 52 GLU CG . 25515 1 604 . 1 1 57 57 GLU N N 15 118.597 0.010 . . . . . A 52 GLU N . 25515 1 605 . 1 1 58 58 ALA H H 1 7.606 0.003 . . . . . A 53 ALA H . 25515 1 606 . 1 1 58 58 ALA HA H 1 3.974 0.014 . . . . . A 53 ALA HA . 25515 1 607 . 1 1 58 58 ALA HB1 H 1 1.506 0.024 . . . . . A 53 ALA HB1 . 25515 1 608 . 1 1 58 58 ALA HB2 H 1 1.506 0.024 . . . . . A 53 ALA HB2 . 25515 1 609 . 1 1 58 58 ALA HB3 H 1 1.506 0.024 . . . . . A 53 ALA HB3 . 25515 1 610 . 1 1 58 58 ALA C C 13 173.485 0.000 . . . . . A 53 ALA C . 25515 1 611 . 1 1 58 58 ALA CA C 13 55.071 0.067 . . . . . A 53 ALA CA . 25515 1 612 . 1 1 58 58 ALA CB C 13 17.777 0.034 . . . . . A 53 ALA CB . 25515 1 613 . 1 1 58 58 ALA N N 15 122.149 0.015 . . . . . A 53 ALA N . 25515 1 614 . 1 1 59 59 ALA H H 1 7.680 0.014 . . . . . A 54 ALA H . 25515 1 615 . 1 1 59 59 ALA HA H 1 4.227 0.014 . . . . . A 54 ALA HA . 25515 1 616 . 1 1 59 59 ALA HB1 H 1 1.476 0.011 . . . . . A 54 ALA HB1 . 25515 1 617 . 1 1 59 59 ALA HB2 H 1 1.476 0.011 . . . . . A 54 ALA HB2 . 25515 1 618 . 1 1 59 59 ALA HB3 H 1 1.476 0.011 . . . . . A 54 ALA HB3 . 25515 1 619 . 1 1 59 59 ALA C C 13 171.125 0.000 . . . . . A 54 ALA C . 25515 1 620 . 1 1 59 59 ALA CA C 13 55.171 0.024 . . . . . A 54 ALA CA . 25515 1 621 . 1 1 59 59 ALA CB C 13 17.847 0.031 . . . . . A 54 ALA CB . 25515 1 622 . 1 1 59 59 ALA N N 15 119.475 0.011 . . . . . A 54 ALA N . 25515 1 623 . 1 1 60 60 ASP H H 1 7.983 0.004 . . . . . A 55 ASP H . 25515 1 624 . 1 1 60 60 ASP HA H 1 4.421 0.005 . . . . . A 55 ASP HA . 25515 1 625 . 1 1 60 60 ASP HB2 H 1 2.714 0.017 . . . . . A 55 ASP HB2 . 25515 1 626 . 1 1 60 60 ASP HB3 H 1 2.644 0.011 . . . . . A 55 ASP HB3 . 25515 1 627 . 1 1 60 60 ASP C C 13 173.088 0.000 . . . . . A 55 ASP C . 25515 1 628 . 1 1 60 60 ASP CA C 13 57.406 0.088 . . . . . A 55 ASP CA . 25515 1 629 . 1 1 60 60 ASP CB C 13 40.329 0.025 . . . . . A 55 ASP CB . 25515 1 630 . 1 1 60 60 ASP N N 15 120.134 0.011 . . . . . A 55 ASP N . 25515 1 631 . 1 1 61 61 LYS H H 1 7.758 0.009 . . . . . A 56 LYS H . 25515 1 632 . 1 1 61 61 LYS HA H 1 3.910 0.016 . . . . . A 56 LYS HA . 25515 1 633 . 1 1 61 61 LYS HB2 H 1 1.383 0.011 . . . . . A 56 LYS HB2 . 25515 1 634 . 1 1 61 61 LYS HB3 H 1 0.968 0.005 . . . . . A 56 LYS HB3 . 25515 1 635 . 1 1 61 61 LYS HG2 H 1 1.046 0.006 . . . . . A 56 LYS HG2 . 25515 1 636 . 1 1 61 61 LYS HG3 H 1 0.972 0.009 . . . . . A 56 LYS HG3 . 25515 1 637 . 1 1 61 61 LYS HD2 H 1 1.299 0.017 . . . . . A 56 LYS HD2 . 25515 1 638 . 1 1 61 61 LYS HD3 H 1 1.278 0.014 . . . . . A 56 LYS HD3 . 25515 1 639 . 1 1 61 61 LYS HE2 H 1 2.706 0.006 . . . . . A 56 LYS HE2 . 25515 1 640 . 1 1 61 61 LYS HE3 H 1 2.707 0.007 . . . . . A 56 LYS HE3 . 25515 1 641 . 1 1 61 61 LYS C C 13 173.210 0.011 . . . . . A 56 LYS C . 25515 1 642 . 1 1 61 61 LYS CA C 13 58.481 0.145 . . . . . A 56 LYS CA . 25515 1 643 . 1 1 61 61 LYS CB C 13 30.908 0.025 . . . . . A 56 LYS CB . 25515 1 644 . 1 1 61 61 LYS CG C 13 24.492 0.070 . . . . . A 56 LYS CG . 25515 1 645 . 1 1 61 61 LYS CD C 13 28.082 0.022 . . . . . A 56 LYS CD . 25515 1 646 . 1 1 61 61 LYS CE C 13 41.966 0.014 . . . . . A 56 LYS CE . 25515 1 647 . 1 1 61 61 LYS N N 15 120.915 0.008 . . . . . A 56 LYS N . 25515 1 648 . 1 1 62 62 PHE H H 1 8.861 0.005 . . . . . A 57 PHE H . 25515 1 649 . 1 1 62 62 PHE HA H 1 4.005 0.014 . . . . . A 57 PHE HA . 25515 1 650 . 1 1 62 62 PHE HB2 H 1 3.381 0.026 . . . . . A 57 PHE HB2 . 25515 1 651 . 1 1 62 62 PHE HB3 H 1 3.055 0.007 . . . . . A 57 PHE HB3 . 25515 1 652 . 1 1 62 62 PHE HD1 H 1 7.068 0.020 . . . . . A 57 PHE HD1 . 25515 1 653 . 1 1 62 62 PHE HD2 H 1 7.068 0.020 . . . . . A 57 PHE HD2 . 25515 1 654 . 1 1 62 62 PHE HE1 H 1 7.276 0.012 . . . . . A 57 PHE HE1 . 25515 1 655 . 1 1 62 62 PHE HE2 H 1 7.276 0.012 . . . . . A 57 PHE HE2 . 25515 1 656 . 1 1 62 62 PHE HZ H 1 7.232 0.005 . . . . . A 57 PHE HZ . 25515 1 657 . 1 1 62 62 PHE C C 13 174.430 0.000 . . . . . A 57 PHE C . 25515 1 658 . 1 1 62 62 PHE CA C 13 61.540 0.054 . . . . . A 57 PHE CA . 25515 1 659 . 1 1 62 62 PHE CB C 13 39.088 0.025 . . . . . A 57 PHE CB . 25515 1 660 . 1 1 62 62 PHE CD1 C 13 131.727 0.069 . . . . . A 57 PHE CD1 . 25515 1 661 . 1 1 62 62 PHE CD2 C 13 131.727 0.069 . . . . . A 57 PHE CD2 . 25515 1 662 . 1 1 62 62 PHE CE1 C 13 131.652 0.095 . . . . . A 57 PHE CE1 . 25515 1 663 . 1 1 62 62 PHE CE2 C 13 131.652 0.095 . . . . . A 57 PHE CE2 . 25515 1 664 . 1 1 62 62 PHE CZ C 13 129.993 0.094 . . . . . A 57 PHE CZ . 25515 1 665 . 1 1 62 62 PHE N N 15 120.024 0.014 . . . . . A 57 PHE N . 25515 1 666 . 1 1 63 63 LYS H H 1 7.846 0.015 . . . . . A 58 LYS H . 25515 1 667 . 1 1 63 63 LYS HA H 1 3.953 0.012 . . . . . A 58 LYS HA . 25515 1 668 . 1 1 63 63 LYS HB2 H 1 1.969 0.025 . . . . . A 58 LYS HB2 . 25515 1 669 . 1 1 63 63 LYS HB3 H 1 1.970 0.025 . . . . . A 58 LYS HB3 . 25515 1 670 . 1 1 63 63 LYS HG2 H 1 1.607 0.003 . . . . . A 58 LYS HG2 . 25515 1 671 . 1 1 63 63 LYS HG3 H 1 1.375 0.013 . . . . . A 58 LYS HG3 . 25515 1 672 . 1 1 63 63 LYS HE2 H 1 2.945 0.023 . . . . . A 58 LYS HE2 . 25515 1 673 . 1 1 63 63 LYS HE3 H 1 2.943 0.018 . . . . . A 58 LYS HE3 . 25515 1 674 . 1 1 63 63 LYS C C 13 172.875 0.000 . . . . . A 58 LYS C . 25515 1 675 . 1 1 63 63 LYS CA C 13 59.861 0.167 . . . . . A 58 LYS CA . 25515 1 676 . 1 1 63 63 LYS CB C 13 32.309 0.136 . . . . . A 58 LYS CB . 25515 1 677 . 1 1 63 63 LYS CG C 13 24.936 0.046 . . . . . A 58 LYS CG . 25515 1 678 . 1 1 63 63 LYS CE C 13 42.046 0.030 . . . . . A 58 LYS CE . 25515 1 679 . 1 1 63 63 LYS N N 15 119.306 0.014 . . . . . A 58 LYS N . 25515 1 680 . 1 1 64 64 GLU H H 1 7.732 0.010 . . . . . A 59 GLU H . 25515 1 681 . 1 1 64 64 GLU HA H 1 4.049 0.017 . . . . . A 59 GLU HA . 25515 1 682 . 1 1 64 64 GLU HB2 H 1 2.112 0.024 . . . . . A 59 GLU HB2 . 25515 1 683 . 1 1 64 64 GLU HB3 H 1 2.062 0.022 . . . . . A 59 GLU HB3 . 25515 1 684 . 1 1 64 64 GLU HG2 H 1 2.356 0.002 . . . . . A 59 GLU HG2 . 25515 1 685 . 1 1 64 64 GLU HG3 H 1 2.359 0.014 . . . . . A 59 GLU HG3 . 25515 1 686 . 1 1 64 64 GLU C C 13 171.935 0.000 . . . . . A 59 GLU C . 25515 1 687 . 1 1 64 64 GLU CA C 13 59.473 0.025 . . . . . A 59 GLU CA . 25515 1 688 . 1 1 64 64 GLU CB C 13 29.827 0.048 . . . . . A 59 GLU CB . 25515 1 689 . 1 1 64 64 GLU CG C 13 36.399 0.028 . . . . . A 59 GLU CG . 25515 1 690 . 1 1 64 64 GLU N N 15 119.732 0.051 . . . . . A 59 GLU N . 25515 1 691 . 1 1 65 65 ILE H H 1 8.429 0.012 . . . . . A 60 ILE H . 25515 1 692 . 1 1 65 65 ILE HA H 1 3.688 0.007 . . . . . A 60 ILE HA . 25515 1 693 . 1 1 65 65 ILE HB H 1 1.804 0.009 . . . . . A 60 ILE HB . 25515 1 694 . 1 1 65 65 ILE HG12 H 1 1.613 0.029 . . . . . A 60 ILE HG12 . 25515 1 695 . 1 1 65 65 ILE HG13 H 1 1.272 0.026 . . . . . A 60 ILE HG13 . 25515 1 696 . 1 1 65 65 ILE HG21 H 1 0.924 0.004 . . . . . A 60 ILE HG21 . 25515 1 697 . 1 1 65 65 ILE HG22 H 1 0.924 0.004 . . . . . A 60 ILE HG22 . 25515 1 698 . 1 1 65 65 ILE HG23 H 1 0.924 0.004 . . . . . A 60 ILE HG23 . 25515 1 699 . 1 1 65 65 ILE HD11 H 1 0.734 0.007 . . . . . A 60 ILE HD11 . 25515 1 700 . 1 1 65 65 ILE HD12 H 1 0.734 0.007 . . . . . A 60 ILE HD12 . 25515 1 701 . 1 1 65 65 ILE HD13 H 1 0.734 0.007 . . . . . A 60 ILE HD13 . 25515 1 702 . 1 1 65 65 ILE C C 13 174.424 0.000 . . . . . A 60 ILE C . 25515 1 703 . 1 1 65 65 ILE CA C 13 65.274 0.034 . . . . . A 60 ILE CA . 25515 1 704 . 1 1 65 65 ILE CB C 13 38.447 0.029 . . . . . A 60 ILE CB . 25515 1 705 . 1 1 65 65 ILE CG1 C 13 28.721 0.001 . . . . . A 60 ILE CG1 . 25515 1 706 . 1 1 65 65 ILE CG2 C 13 18.154 0.023 . . . . . A 60 ILE CG2 . 25515 1 707 . 1 1 65 65 ILE CD1 C 13 15.780 0.015 . . . . . A 60 ILE CD1 . 25515 1 708 . 1 1 65 65 ILE N N 15 119.074 0.040 . . . . . A 60 ILE N . 25515 1 709 . 1 1 66 66 ASN H H 1 8.025 0.010 . . . . . A 61 ASN H . 25515 1 710 . 1 1 66 66 ASN HA H 1 4.301 0.015 . . . . . A 61 ASN HA . 25515 1 711 . 1 1 66 66 ASN HB2 H 1 2.539 0.012 . . . . . A 61 ASN HB2 . 25515 1 712 . 1 1 66 66 ASN HB3 H 1 2.539 0.012 . . . . . A 61 ASN HB3 . 25515 1 713 . 1 1 66 66 ASN HD21 H 1 7.007 0.019 . . . . . A 61 ASN HD21 . 25515 1 714 . 1 1 66 66 ASN HD22 H 1 7.004 0.014 . . . . . A 61 ASN HD22 . 25515 1 715 . 1 1 66 66 ASN C C 13 174.271 0.000 . . . . . A 61 ASN C . 25515 1 716 . 1 1 66 66 ASN CA C 13 56.556 0.071 . . . . . A 61 ASN CA . 25515 1 717 . 1 1 66 66 ASN CB C 13 38.283 0.022 . . . . . A 61 ASN CB . 25515 1 718 . 1 1 66 66 ASN N N 15 120.038 0.011 . . . . . A 61 ASN N . 25515 1 719 . 1 1 66 66 ASN ND2 N 15 112.081 0.018 . . . . . A 61 ASN ND2 . 25515 1 720 . 1 1 67 67 ASN H H 1 8.042 0.009 . . . . . A 62 ASN H . 25515 1 721 . 1 1 67 67 ASN HA H 1 4.310 0.012 . . . . . A 62 ASN HA . 25515 1 722 . 1 1 67 67 ASN HB2 H 1 2.696 0.012 . . . . . A 62 ASN HB2 . 25515 1 723 . 1 1 67 67 ASN HB3 H 1 2.696 0.012 . . . . . A 62 ASN HB3 . 25515 1 724 . 1 1 67 67 ASN HD21 H 1 7.820 0.017 . . . . . A 62 ASN HD21 . 25515 1 725 . 1 1 67 67 ASN HD22 H 1 6.713 0.003 . . . . . A 62 ASN HD22 . 25515 1 726 . 1 1 67 67 ASN C C 13 176.042 0.000 . . . . . A 62 ASN C . 25515 1 727 . 1 1 67 67 ASN CA C 13 56.548 0.064 . . . . . A 62 ASN CA . 25515 1 728 . 1 1 67 67 ASN CB C 13 38.721 0.007 . . . . . A 62 ASN CB . 25515 1 729 . 1 1 67 67 ASN N N 15 119.502 0.013 . . . . . A 62 ASN N . 25515 1 730 . 1 1 67 67 ASN ND2 N 15 113.722 0.039 . . . . . A 62 ASN ND2 . 25515 1 731 . 1 1 68 68 ALA H H 1 7.944 0.019 . . . . . A 63 ALA H . 25515 1 732 . 1 1 68 68 ALA HA H 1 3.686 0.008 . . . . . A 63 ALA HA . 25515 1 733 . 1 1 68 68 ALA HB1 H 1 1.323 0.015 . . . . . A 63 ALA HB1 . 25515 1 734 . 1 1 68 68 ALA HB2 H 1 1.323 0.015 . . . . . A 63 ALA HB2 . 25515 1 735 . 1 1 68 68 ALA HB3 H 1 1.323 0.015 . . . . . A 63 ALA HB3 . 25515 1 736 . 1 1 68 68 ALA C C 13 173.564 0.000 . . . . . A 63 ALA C . 25515 1 737 . 1 1 68 68 ALA CA C 13 55.540 0.026 . . . . . A 63 ALA CA . 25515 1 738 . 1 1 68 68 ALA CB C 13 18.506 0.181 . . . . . A 63 ALA CB . 25515 1 739 . 1 1 68 68 ALA N N 15 119.769 0.017 . . . . . A 63 ALA N . 25515 1 740 . 1 1 69 69 HIS H H 1 8.055 0.012 . . . . . A 64 HIS H . 25515 1 741 . 1 1 69 69 HIS HA H 1 3.527 0.012 . . . . . A 64 HIS HA . 25515 1 742 . 1 1 69 69 HIS HB2 H 1 2.551 0.015 . . . . . A 64 HIS HB2 . 25515 1 743 . 1 1 69 69 HIS HB3 H 1 2.541 0.006 . . . . . A 64 HIS HB3 . 25515 1 744 . 1 1 69 69 HIS CA C 13 60.384 0.024 . . . . . A 64 HIS CA . 25515 1 745 . 1 1 69 69 HIS CB C 13 29.935 0.003 . . . . . A 64 HIS CB . 25515 1 746 . 1 1 69 69 HIS N N 15 115.292 0.013 . . . . . A 64 HIS N . 25515 1 747 . 1 1 70 70 ALA H H 1 7.944 0.005 . . . . . A 65 ALA H . 25515 1 748 . 1 1 70 70 ALA HA H 1 3.506 0.015 . . . . . A 65 ALA HA . 25515 1 749 . 1 1 70 70 ALA HB1 H 1 1.358 0.015 . . . . . A 65 ALA HB1 . 25515 1 750 . 1 1 70 70 ALA HB2 H 1 1.358 0.015 . . . . . A 65 ALA HB2 . 25515 1 751 . 1 1 70 70 ALA HB3 H 1 1.358 0.015 . . . . . A 65 ALA HB3 . 25515 1 752 . 1 1 70 70 ALA C C 13 172.454 0.000 . . . . . A 65 ALA C . 25515 1 753 . 1 1 70 70 ALA CA C 13 54.991 0.042 . . . . . A 65 ALA CA . 25515 1 754 . 1 1 70 70 ALA CB C 13 18.138 0.119 . . . . . A 65 ALA CB . 25515 1 755 . 1 1 70 70 ALA N N 15 122.093 0.012 . . . . . A 65 ALA N . 25515 1 756 . 1 1 71 71 ILE H H 1 7.358 0.007 . . . . . A 66 ILE H . 25515 1 757 . 1 1 71 71 ILE HA H 1 3.458 0.011 . . . . . A 66 ILE HA . 25515 1 758 . 1 1 71 71 ILE HB H 1 1.371 0.004 . . . . . A 66 ILE HB . 25515 1 759 . 1 1 71 71 ILE HG12 H 1 1.371 0.016 . . . . . A 66 ILE HG12 . 25515 1 760 . 1 1 71 71 ILE HG13 H 1 1.010 0.020 . . . . . A 66 ILE HG13 . 25515 1 761 . 1 1 71 71 ILE HG21 H 1 0.280 0.007 . . . . . A 66 ILE HG21 . 25515 1 762 . 1 1 71 71 ILE HG22 H 1 0.280 0.007 . . . . . A 66 ILE HG22 . 25515 1 763 . 1 1 71 71 ILE HG23 H 1 0.280 0.007 . . . . . A 66 ILE HG23 . 25515 1 764 . 1 1 71 71 ILE HD11 H 1 0.563 0.010 . . . . . A 66 ILE HD11 . 25515 1 765 . 1 1 71 71 ILE HD12 H 1 0.563 0.010 . . . . . A 66 ILE HD12 . 25515 1 766 . 1 1 71 71 ILE HD13 H 1 0.563 0.010 . . . . . A 66 ILE HD13 . 25515 1 767 . 1 1 71 71 ILE C C 13 175.394 0.000 . . . . . A 66 ILE C . 25515 1 768 . 1 1 71 71 ILE CA C 13 63.608 0.020 . . . . . A 66 ILE CA . 25515 1 769 . 1 1 71 71 ILE CB C 13 37.989 0.017 . . . . . A 66 ILE CB . 25515 1 770 . 1 1 71 71 ILE CG1 C 13 28.848 0.067 . . . . . A 66 ILE CG1 . 25515 1 771 . 1 1 71 71 ILE CG2 C 13 17.409 0.015 . . . . . A 66 ILE CG2 . 25515 1 772 . 1 1 71 71 ILE CD1 C 13 12.929 0.021 . . . . . A 66 ILE CD1 . 25515 1 773 . 1 1 71 71 ILE N N 15 115.954 0.013 . . . . . A 66 ILE N . 25515 1 774 . 1 1 72 72 LEU H H 1 7.743 0.006 . . . . . A 67 LEU H . 25515 1 775 . 1 1 72 72 LEU HA H 1 3.675 0.019 . . . . . A 67 LEU HA . 25515 1 776 . 1 1 72 72 LEU HB2 H 1 1.202 0.020 . . . . . A 67 LEU HB2 . 25515 1 777 . 1 1 72 72 LEU HB3 H 1 1.418 0.040 . . . . . A 67 LEU HB3 . 25515 1 778 . 1 1 72 72 LEU HD11 H 1 0.200 0.010 . . . . . A 67 LEU HD11 . 25515 1 779 . 1 1 72 72 LEU HD12 H 1 0.200 0.010 . . . . . A 67 LEU HD12 . 25515 1 780 . 1 1 72 72 LEU HD13 H 1 0.200 0.010 . . . . . A 67 LEU HD13 . 25515 1 781 . 1 1 72 72 LEU HD21 H 1 -0.033 0.020 . . . . . A 67 LEU HD21 . 25515 1 782 . 1 1 72 72 LEU HD22 H 1 -0.033 0.020 . . . . . A 67 LEU HD22 . 25515 1 783 . 1 1 72 72 LEU HD23 H 1 -0.033 0.020 . . . . . A 67 LEU HD23 . 25515 1 784 . 1 1 72 72 LEU C C 13 174.490 0.000 . . . . . A 67 LEU C . 25515 1 785 . 1 1 72 72 LEU CA C 13 56.567 0.012 . . . . . A 67 LEU CA . 25515 1 786 . 1 1 72 72 LEU CB C 13 42.054 0.000 . . . . . A 67 LEU CB . 25515 1 787 . 1 1 72 72 LEU CD1 C 13 21.723 0.020 . . . . . A 67 LEU CD1 . 25515 1 788 . 1 1 72 72 LEU CD2 C 13 24.807 0.031 . . . . . A 67 LEU CD2 . 25515 1 789 . 1 1 72 72 LEU N N 15 111.268 0.014 . . . . . A 67 LEU N . 25515 1 790 . 1 1 73 73 THR H H 1 7.104 0.006 . . . . . A 68 THR H . 25515 1 791 . 1 1 73 73 THR HA H 1 4.023 0.009 . . . . . A 68 THR HA . 25515 1 792 . 1 1 73 73 THR HB H 1 4.073 0.028 . . . . . A 68 THR HB . 25515 1 793 . 1 1 73 73 THR HG21 H 1 0.802 0.019 . . . . . A 68 THR HG21 . 25515 1 794 . 1 1 73 73 THR HG22 H 1 0.802 0.019 . . . . . A 68 THR HG22 . 25515 1 795 . 1 1 73 73 THR HG23 H 1 0.802 0.019 . . . . . A 68 THR HG23 . 25515 1 796 . 1 1 73 73 THR C C 13 178.796 0.000 . . . . . A 68 THR C . 25515 1 797 . 1 1 73 73 THR CA C 13 61.672 0.085 . . . . . A 68 THR CA . 25515 1 798 . 1 1 73 73 THR CB C 13 69.052 0.009 . . . . . A 68 THR CB . 25515 1 799 . 1 1 73 73 THR CG2 C 13 21.882 0.008 . . . . . A 68 THR CG2 . 25515 1 800 . 1 1 73 73 THR N N 15 103.399 0.018 . . . . . A 68 THR N . 25515 1 801 . 1 1 74 74 ASP H H 1 7.076 0.008 . . . . . A 69 ASP H . 25515 1 802 . 1 1 74 74 ASP HA H 1 4.701 0.004 . . . . . A 69 ASP HA . 25515 1 803 . 1 1 74 74 ASP HB2 H 1 3.025 0.013 . . . . . A 69 ASP HB2 . 25515 1 804 . 1 1 74 74 ASP HB3 H 1 2.409 0.011 . . . . . A 69 ASP HB3 . 25515 1 805 . 1 1 74 74 ASP C C 13 177.204 0.000 . . . . . A 69 ASP C . 25515 1 806 . 1 1 74 74 ASP CA C 13 52.759 0.000 . . . . . A 69 ASP CA . 25515 1 807 . 1 1 74 74 ASP CB C 13 42.751 0.040 . . . . . A 69 ASP CB . 25515 1 808 . 1 1 74 74 ASP N N 15 125.057 0.016 . . . . . A 69 ASP N . 25515 1 809 . 1 1 75 75 ALA H H 1 8.761 0.003 . . . . . A 70 ALA H . 25515 1 810 . 1 1 75 75 ALA HA H 1 3.897 0.020 . . . . . A 70 ALA HA . 25515 1 811 . 1 1 75 75 ALA HB1 H 1 1.403 0.003 . . . . . A 70 ALA HB1 . 25515 1 812 . 1 1 75 75 ALA HB2 H 1 1.403 0.003 . . . . . A 70 ALA HB2 . 25515 1 813 . 1 1 75 75 ALA HB3 H 1 1.403 0.003 . . . . . A 70 ALA HB3 . 25515 1 814 . 1 1 75 75 ALA C C 13 171.909 0.000 . . . . . A 70 ALA C . 25515 1 815 . 1 1 75 75 ALA CA C 13 55.826 0.088 . . . . . A 70 ALA CA . 25515 1 816 . 1 1 75 75 ALA CB C 13 18.474 0.046 . . . . . A 70 ALA CB . 25515 1 817 . 1 1 75 75 ALA N N 15 128.178 0.012 . . . . . A 70 ALA N . 25515 1 818 . 1 1 76 76 THR H H 1 7.957 0.004 . . . . . A 71 THR H . 25515 1 819 . 1 1 76 76 THR HA H 1 3.981 0.014 . . . . . A 71 THR HA . 25515 1 820 . 1 1 76 76 THR HB H 1 4.236 0.003 . . . . . A 71 THR HB . 25515 1 821 . 1 1 76 76 THR HG21 H 1 1.143 0.017 . . . . . A 71 THR HG21 . 25515 1 822 . 1 1 76 76 THR HG22 H 1 1.143 0.017 . . . . . A 71 THR HG22 . 25515 1 823 . 1 1 76 76 THR HG23 H 1 1.143 0.017 . . . . . A 71 THR HG23 . 25515 1 824 . 1 1 76 76 THR C C 13 175.038 0.000 . . . . . A 71 THR C . 25515 1 825 . 1 1 76 76 THR CA C 13 66.164 0.032 . . . . . A 71 THR CA . 25515 1 826 . 1 1 76 76 THR CB C 13 68.319 0.022 . . . . . A 71 THR CB . 25515 1 827 . 1 1 76 76 THR CG2 C 13 21.797 0.025 . . . . . A 71 THR CG2 . 25515 1 828 . 1 1 76 76 THR N N 15 113.629 0.012 . . . . . A 71 THR N . 25515 1 829 . 1 1 77 77 LYS H H 1 8.309 0.005 . . . . . A 72 LYS H . 25515 1 830 . 1 1 77 77 LYS HA H 1 3.810 0.004 . . . . . A 72 LYS HA . 25515 1 831 . 1 1 77 77 LYS HB2 H 1 2.181 0.007 . . . . . A 72 LYS HB2 . 25515 1 832 . 1 1 77 77 LYS HB3 H 1 1.612 0.036 . . . . . A 72 LYS HB3 . 25515 1 833 . 1 1 77 77 LYS HG2 H 1 1.146 0.006 . . . . . A 72 LYS HG2 . 25515 1 834 . 1 1 77 77 LYS HG3 H 1 1.146 0.006 . . . . . A 72 LYS HG3 . 25515 1 835 . 1 1 77 77 LYS HD2 H 1 1.488 0.005 . . . . . A 72 LYS HD2 . 25515 1 836 . 1 1 77 77 LYS HD3 H 1 1.488 0.005 . . . . . A 72 LYS HD3 . 25515 1 837 . 1 1 77 77 LYS HE2 H 1 2.868 0.004 . . . . . A 72 LYS HE2 . 25515 1 838 . 1 1 77 77 LYS HE3 H 1 2.868 0.004 . . . . . A 72 LYS HE3 . 25515 1 839 . 1 1 77 77 LYS C C 13 173.814 0.000 . . . . . A 72 LYS C . 25515 1 840 . 1 1 77 77 LYS CA C 13 60.291 0.007 . . . . . A 72 LYS CA . 25515 1 841 . 1 1 77 77 LYS CB C 13 32.806 0.000 . . . . . A 72 LYS CB . 25515 1 842 . 1 1 77 77 LYS CG C 13 26.586 0.041 . . . . . A 72 LYS CG . 25515 1 843 . 1 1 77 77 LYS CD C 13 29.570 0.017 . . . . . A 72 LYS CD . 25515 1 844 . 1 1 77 77 LYS CE C 13 42.038 0.054 . . . . . A 72 LYS CE . 25515 1 845 . 1 1 77 77 LYS N N 15 122.501 0.014 . . . . . A 72 LYS N . 25515 1 846 . 1 1 78 78 ARG H H 1 9.258 0.014 . . . . . A 73 ARG H . 25515 1 847 . 1 1 78 78 ARG HA H 1 3.603 0.011 . . . . . A 73 ARG HA . 25515 1 848 . 1 1 78 78 ARG HG2 H 1 1.797 0.000 . . . . . A 73 ARG HG2 . 25515 1 849 . 1 1 78 78 ARG HG3 H 1 1.643 0.001 . . . . . A 73 ARG HG3 . 25515 1 850 . 1 1 78 78 ARG HD2 H 1 3.437 0.003 . . . . . A 73 ARG HD2 . 25515 1 851 . 1 1 78 78 ARG HD3 H 1 3.052 0.002 . . . . . A 73 ARG HD3 . 25515 1 852 . 1 1 78 78 ARG C C 13 174.477 0.000 . . . . . A 73 ARG C . 25515 1 853 . 1 1 78 78 ARG CA C 13 60.829 0.024 . . . . . A 73 ARG CA . 25515 1 854 . 1 1 78 78 ARG CG C 13 27.372 0.017 . . . . . A 73 ARG CG . 25515 1 855 . 1 1 78 78 ARG CD C 13 43.719 0.031 . . . . . A 73 ARG CD . 25515 1 856 . 1 1 78 78 ARG N N 15 120.595 0.022 . . . . . A 73 ARG N . 25515 1 857 . 1 1 79 79 ASN H H 1 7.534 0.016 . . . . . A 74 ASN H . 25515 1 858 . 1 1 79 79 ASN HA H 1 4.431 0.005 . . . . . A 74 ASN HA . 25515 1 859 . 1 1 79 79 ASN HB2 H 1 2.925 0.024 . . . . . A 74 ASN HB2 . 25515 1 860 . 1 1 79 79 ASN HB3 H 1 2.828 0.013 . . . . . A 74 ASN HB3 . 25515 1 861 . 1 1 79 79 ASN HD21 H 1 7.748 0.007 . . . . . A 74 ASN HD21 . 25515 1 862 . 1 1 79 79 ASN HD22 H 1 6.871 0.013 . . . . . A 74 ASN HD22 . 25515 1 863 . 1 1 79 79 ASN C C 13 174.296 0.000 . . . . . A 74 ASN C . 25515 1 864 . 1 1 79 79 ASN CA C 13 56.710 0.060 . . . . . A 74 ASN CA . 25515 1 865 . 1 1 79 79 ASN CB C 13 38.730 0.087 . . . . . A 74 ASN CB . 25515 1 866 . 1 1 79 79 ASN N N 15 115.425 0.017 . . . . . A 74 ASN N . 25515 1 867 . 1 1 79 79 ASN ND2 N 15 112.797 0.009 . . . . . A 74 ASN ND2 . 25515 1 868 . 1 1 80 80 ILE H H 1 7.656 0.015 . . . . . A 75 ILE H . 25515 1 869 . 1 1 80 80 ILE HA H 1 3.633 0.008 . . . . . A 75 ILE HA . 25515 1 870 . 1 1 80 80 ILE HB H 1 1.912 0.009 . . . . . A 75 ILE HB . 25515 1 871 . 1 1 80 80 ILE HG12 H 1 1.054 0.027 . . . . . A 75 ILE HG12 . 25515 1 872 . 1 1 80 80 ILE HG13 H 1 1.050 0.017 . . . . . A 75 ILE HG13 . 25515 1 873 . 1 1 80 80 ILE HG21 H 1 0.843 0.007 . . . . . A 75 ILE HG21 . 25515 1 874 . 1 1 80 80 ILE HG22 H 1 0.843 0.007 . . . . . A 75 ILE HG22 . 25515 1 875 . 1 1 80 80 ILE HG23 H 1 0.843 0.007 . . . . . A 75 ILE HG23 . 25515 1 876 . 1 1 80 80 ILE HD11 H 1 0.818 0.020 . . . . . A 75 ILE HD11 . 25515 1 877 . 1 1 80 80 ILE HD12 H 1 0.818 0.020 . . . . . A 75 ILE HD12 . 25515 1 878 . 1 1 80 80 ILE HD13 H 1 0.818 0.020 . . . . . A 75 ILE HD13 . 25515 1 879 . 1 1 80 80 ILE C C 13 174.667 0.000 . . . . . A 75 ILE C . 25515 1 880 . 1 1 80 80 ILE CA C 13 65.505 0.032 . . . . . A 75 ILE CA . 25515 1 881 . 1 1 80 80 ILE CB C 13 38.225 0.047 . . . . . A 75 ILE CB . 25515 1 882 . 1 1 80 80 ILE CG1 C 13 29.231 0.087 . . . . . A 75 ILE CG1 . 25515 1 883 . 1 1 80 80 ILE CG2 C 13 17.572 0.023 . . . . . A 75 ILE CG2 . 25515 1 884 . 1 1 80 80 ILE CD1 C 13 13.868 0.017 . . . . . A 75 ILE CD1 . 25515 1 885 . 1 1 80 80 ILE N N 15 119.020 0.022 . . . . . A 75 ILE N . 25515 1 886 . 1 1 81 81 TYR H H 1 8.894 0.005 . . . . . A 76 TYR H . 25515 1 887 . 1 1 81 81 TYR HA H 1 4.015 0.013 . . . . . A 76 TYR HA . 25515 1 888 . 1 1 81 81 TYR HB2 H 1 2.912 0.041 . . . . . A 76 TYR HB2 . 25515 1 889 . 1 1 81 81 TYR HB3 H 1 2.908 0.052 . . . . . A 76 TYR HB3 . 25515 1 890 . 1 1 81 81 TYR HD1 H 1 6.654 0.010 . . . . . A 76 TYR HD1 . 25515 1 891 . 1 1 81 81 TYR HD2 H 1 6.654 0.010 . . . . . A 76 TYR HD2 . 25515 1 892 . 1 1 81 81 TYR HE1 H 1 6.626 0.013 . . . . . A 76 TYR HE1 . 25515 1 893 . 1 1 81 81 TYR HE2 H 1 6.626 0.013 . . . . . A 76 TYR HE2 . 25515 1 894 . 1 1 81 81 TYR C C 13 173.323 0.000 . . . . . A 76 TYR C . 25515 1 895 . 1 1 81 81 TYR CA C 13 61.547 0.072 . . . . . A 76 TYR CA . 25515 1 896 . 1 1 81 81 TYR CB C 13 38.753 0.053 . . . . . A 76 TYR CB . 25515 1 897 . 1 1 81 81 TYR CD1 C 13 133.091 0.079 . . . . . A 76 TYR CD1 . 25515 1 898 . 1 1 81 81 TYR CD2 C 13 133.091 0.079 . . . . . A 76 TYR CD2 . 25515 1 899 . 1 1 81 81 TYR CE1 C 13 117.571 0.025 . . . . . A 76 TYR CE1 . 25515 1 900 . 1 1 81 81 TYR CE2 C 13 117.571 0.025 . . . . . A 76 TYR CE2 . 25515 1 901 . 1 1 81 81 TYR N N 15 121.913 0.012 . . . . . A 76 TYR N . 25515 1 902 . 1 1 82 82 ASP H H 1 9.151 0.004 . . . . . A 77 ASP H . 25515 1 903 . 1 1 82 82 ASP HA H 1 4.337 0.027 . . . . . A 77 ASP HA . 25515 1 904 . 1 1 82 82 ASP HB2 H 1 2.743 0.018 . . . . . A 77 ASP HB2 . 25515 1 905 . 1 1 82 82 ASP HB3 H 1 2.547 0.012 . . . . . A 77 ASP HB3 . 25515 1 906 . 1 1 82 82 ASP C C 13 174.321 0.000 . . . . . A 77 ASP C . 25515 1 907 . 1 1 82 82 ASP CA C 13 56.919 0.043 . . . . . A 77 ASP CA . 25515 1 908 . 1 1 82 82 ASP CB C 13 39.985 0.186 . . . . . A 77 ASP CB . 25515 1 909 . 1 1 82 82 ASP N N 15 120.151 0.017 . . . . . A 77 ASP N . 25515 1 910 . 1 1 83 83 LYS H H 1 7.378 0.005 . . . . . A 78 LYS H . 25515 1 911 . 1 1 83 83 LYS HA H 1 3.927 0.009 . . . . . A 78 LYS HA . 25515 1 912 . 1 1 83 83 LYS HB2 H 1 1.156 0.015 . . . . . A 78 LYS HB2 . 25515 1 913 . 1 1 83 83 LYS HB3 H 1 0.700 0.006 . . . . . A 78 LYS HB3 . 25515 1 914 . 1 1 83 83 LYS HG2 H 1 1.034 0.019 . . . . . A 78 LYS HG2 . 25515 1 915 . 1 1 83 83 LYS HG3 H 1 0.647 0.011 . . . . . A 78 LYS HG3 . 25515 1 916 . 1 1 83 83 LYS HD2 H 1 1.341 0.017 . . . . . A 78 LYS HD2 . 25515 1 917 . 1 1 83 83 LYS HD3 H 1 1.320 0.018 . . . . . A 78 LYS HD3 . 25515 1 918 . 1 1 83 83 LYS HE2 H 1 2.760 0.014 . . . . . A 78 LYS HE2 . 25515 1 919 . 1 1 83 83 LYS HE3 H 1 2.759 0.011 . . . . . A 78 LYS HE3 . 25515 1 920 . 1 1 83 83 LYS C C 13 174.237 0.001 . . . . . A 78 LYS C . 25515 1 921 . 1 1 83 83 LYS CA C 13 58.413 0.022 . . . . . A 78 LYS CA . 25515 1 922 . 1 1 83 83 LYS CB C 13 33.642 0.017 . . . . . A 78 LYS CB . 25515 1 923 . 1 1 83 83 LYS CG C 13 24.973 0.111 . . . . . A 78 LYS CG . 25515 1 924 . 1 1 83 83 LYS CD C 13 29.072 0.041 . . . . . A 78 LYS CD . 25515 1 925 . 1 1 83 83 LYS CE C 13 41.964 0.044 . . . . . A 78 LYS CE . 25515 1 926 . 1 1 83 83 LYS N N 15 117.659 0.011 . . . . . A 78 LYS N . 25515 1 927 . 1 1 84 84 TYR H H 1 8.505 0.007 . . . . . A 79 TYR H . 25515 1 928 . 1 1 84 84 TYR HA H 1 4.621 0.005 . . . . . A 79 TYR HA . 25515 1 929 . 1 1 84 84 TYR C C 13 175.424 0.000 . . . . . A 79 TYR C . 25515 1 930 . 1 1 84 84 TYR CA C 13 56.573 0.000 . . . . . A 79 TYR CA . 25515 1 931 . 1 1 84 84 TYR N N 15 115.151 0.023 . . . . . A 79 TYR N . 25515 1 932 . 1 1 85 85 GLY H H 1 8.222 0.003 . . . . . A 80 GLY H . 25515 1 933 . 1 1 85 85 GLY HA2 H 1 4.003 0.025 . . . . . A 80 GLY HA2 . 25515 1 934 . 1 1 85 85 GLY HA3 H 1 3.452 0.007 . . . . . A 80 GLY HA3 . 25515 1 935 . 1 1 85 85 GLY C C 13 177.481 0.000 . . . . . A 80 GLY C . 25515 1 936 . 1 1 85 85 GLY CA C 13 45.545 0.018 . . . . . A 80 GLY CA . 25515 1 937 . 1 1 85 85 GLY N N 15 110.813 0.024 . . . . . A 80 GLY N . 25515 1 938 . 1 1 86 86 SER H H 1 8.883 0.011 . . . . . A 81 SER H . 25515 1 939 . 1 1 86 86 SER C C 13 174.532 0.000 . . . . . A 81 SER C . 25515 1 940 . 1 1 86 86 SER CA C 13 61.579 0.000 . . . . . A 81 SER CA . 25515 1 941 . 1 1 86 86 SER N N 15 117.578 0.020 . . . . . A 81 SER N . 25515 1 942 . 1 1 87 87 LEU H H 1 8.920 0.014 . . . . . A 82 LEU H . 25515 1 943 . 1 1 87 87 LEU HA H 1 4.271 0.006 . . . . . A 82 LEU HA . 25515 1 944 . 1 1 87 87 LEU HB2 H 1 1.835 0.029 . . . . . A 82 LEU HB2 . 25515 1 945 . 1 1 87 87 LEU HB3 H 1 1.573 0.040 . . . . . A 82 LEU HB3 . 25515 1 946 . 1 1 87 87 LEU HD11 H 1 0.871 0.013 . . . . . A 82 LEU HD11 . 25515 1 947 . 1 1 87 87 LEU HD12 H 1 0.871 0.013 . . . . . A 82 LEU HD12 . 25515 1 948 . 1 1 87 87 LEU HD13 H 1 0.871 0.013 . . . . . A 82 LEU HD13 . 25515 1 949 . 1 1 87 87 LEU HD21 H 1 0.841 0.011 . . . . . A 82 LEU HD21 . 25515 1 950 . 1 1 87 87 LEU HD22 H 1 0.841 0.011 . . . . . A 82 LEU HD22 . 25515 1 951 . 1 1 87 87 LEU HD23 H 1 0.841 0.011 . . . . . A 82 LEU HD23 . 25515 1 952 . 1 1 87 87 LEU C C 13 173.400 0.000 . . . . . A 82 LEU C . 25515 1 953 . 1 1 87 87 LEU CA C 13 57.932 0.028 . . . . . A 82 LEU CA . 25515 1 954 . 1 1 87 87 LEU CB C 13 41.387 0.035 . . . . . A 82 LEU CB . 25515 1 955 . 1 1 87 87 LEU CD1 C 13 23.601 0.019 . . . . . A 82 LEU CD1 . 25515 1 956 . 1 1 87 87 LEU CD2 C 13 25.707 0.043 . . . . . A 82 LEU CD2 . 25515 1 957 . 1 1 87 87 LEU N N 15 123.998 0.020 . . . . . A 82 LEU N . 25515 1 958 . 1 1 88 88 GLY H H 1 7.565 0.008 . . . . . A 83 GLY H . 25515 1 959 . 1 1 88 88 GLY HA2 H 1 3.626 0.012 . . . . . A 83 GLY HA2 . 25515 1 960 . 1 1 88 88 GLY HA3 H 1 3.488 0.017 . . . . . A 83 GLY HA3 . 25515 1 961 . 1 1 88 88 GLY C C 13 177.230 0.000 . . . . . A 83 GLY C . 25515 1 962 . 1 1 88 88 GLY CA C 13 47.648 0.010 . . . . . A 83 GLY CA . 25515 1 963 . 1 1 88 88 GLY N N 15 105.677 0.027 . . . . . A 83 GLY N . 25515 1 964 . 1 1 89 89 LEU H H 1 7.495 0.010 . . . . . A 84 LEU H . 25515 1 965 . 1 1 89 89 LEU HA H 1 4.059 0.004 . . . . . A 84 LEU HA . 25515 1 966 . 1 1 89 89 LEU HD11 H 1 0.887 0.008 . . . . . A 84 LEU HD11 . 25515 1 967 . 1 1 89 89 LEU HD12 H 1 0.887 0.008 . . . . . A 84 LEU HD12 . 25515 1 968 . 1 1 89 89 LEU HD13 H 1 0.887 0.008 . . . . . A 84 LEU HD13 . 25515 1 969 . 1 1 89 89 LEU C C 13 173.036 0.000 . . . . . A 84 LEU C . 25515 1 970 . 1 1 89 89 LEU CA C 13 57.433 0.027 . . . . . A 84 LEU CA . 25515 1 971 . 1 1 89 89 LEU CD1 C 13 22.320 0.138 . . . . . A 84 LEU CD1 . 25515 1 972 . 1 1 89 89 LEU N N 15 119.542 0.022 . . . . . A 84 LEU N . 25515 1 973 . 1 1 90 90 TYR H H 1 7.894 0.013 . . . . . A 85 TYR H . 25515 1 974 . 1 1 90 90 TYR HA H 1 4.258 0.006 . . . . . A 85 TYR HA . 25515 1 975 . 1 1 90 90 TYR HB2 H 1 3.179 0.019 . . . . . A 85 TYR HB2 . 25515 1 976 . 1 1 90 90 TYR HB3 H 1 3.140 0.021 . . . . . A 85 TYR HB3 . 25515 1 977 . 1 1 90 90 TYR HD1 H 1 6.984 0.018 . . . . . A 85 TYR HD1 . 25515 1 978 . 1 1 90 90 TYR HD2 H 1 6.984 0.018 . . . . . A 85 TYR HD2 . 25515 1 979 . 1 1 90 90 TYR HE1 H 1 6.660 0.033 . . . . . A 85 TYR HE1 . 25515 1 980 . 1 1 90 90 TYR HE2 H 1 6.660 0.033 . . . . . A 85 TYR HE2 . 25515 1 981 . 1 1 90 90 TYR CA C 13 60.970 0.036 . . . . . A 85 TYR CA . 25515 1 982 . 1 1 90 90 TYR CB C 13 38.308 0.027 . . . . . A 85 TYR CB . 25515 1 983 . 1 1 90 90 TYR CD1 C 13 132.955 0.117 . . . . . A 85 TYR CD1 . 25515 1 984 . 1 1 90 90 TYR CD2 C 13 132.955 0.117 . . . . . A 85 TYR CD2 . 25515 1 985 . 1 1 90 90 TYR CE1 C 13 117.929 0.144 . . . . . A 85 TYR CE1 . 25515 1 986 . 1 1 90 90 TYR CE2 C 13 117.929 0.144 . . . . . A 85 TYR CE2 . 25515 1 987 . 1 1 90 90 TYR N N 15 121.424 0.017 . . . . . A 85 TYR N . 25515 1 988 . 1 1 91 91 VAL H H 1 8.402 0.003 . . . . . A 86 VAL H . 25515 1 989 . 1 1 91 91 VAL HA H 1 3.276 0.029 . . . . . A 86 VAL HA . 25515 1 990 . 1 1 91 91 VAL HB H 1 2.071 0.015 . . . . . A 86 VAL HB . 25515 1 991 . 1 1 91 91 VAL HG11 H 1 0.815 0.026 . . . . . A 86 VAL HG11 . 25515 1 992 . 1 1 91 91 VAL HG12 H 1 0.815 0.026 . . . . . A 86 VAL HG12 . 25515 1 993 . 1 1 91 91 VAL HG13 H 1 0.815 0.026 . . . . . A 86 VAL HG13 . 25515 1 994 . 1 1 91 91 VAL HG21 H 1 0.657 0.008 . . . . . A 86 VAL HG21 . 25515 1 995 . 1 1 91 91 VAL HG22 H 1 0.657 0.008 . . . . . A 86 VAL HG22 . 25515 1 996 . 1 1 91 91 VAL HG23 H 1 0.657 0.008 . . . . . A 86 VAL HG23 . 25515 1 997 . 1 1 91 91 VAL C C 13 174.300 0.000 . . . . . A 86 VAL C . 25515 1 998 . 1 1 91 91 VAL CA C 13 66.309 0.044 . . . . . A 86 VAL CA . 25515 1 999 . 1 1 91 91 VAL CB C 13 31.674 0.185 . . . . . A 86 VAL CB . 25515 1 1000 . 1 1 91 91 VAL CG1 C 13 22.877 0.063 . . . . . A 86 VAL CG1 . 25515 1 1001 . 1 1 91 91 VAL CG2 C 13 22.150 0.018 . . . . . A 86 VAL CG2 . 25515 1 1002 . 1 1 91 91 VAL N N 15 120.088 0.033 . . . . . A 86 VAL N . 25515 1 1003 . 1 1 92 92 ALA H H 1 8.317 0.006 . . . . . A 87 ALA H . 25515 1 1004 . 1 1 92 92 ALA HA H 1 3.737 0.008 . . . . . A 87 ALA HA . 25515 1 1005 . 1 1 92 92 ALA HB1 H 1 1.401 0.019 . . . . . A 87 ALA HB1 . 25515 1 1006 . 1 1 92 92 ALA HB2 H 1 1.401 0.019 . . . . . A 87 ALA HB2 . 25515 1 1007 . 1 1 92 92 ALA HB3 H 1 1.401 0.019 . . . . . A 87 ALA HB3 . 25515 1 1008 . 1 1 92 92 ALA C C 13 172.312 0.000 . . . . . A 87 ALA C . 25515 1 1009 . 1 1 92 92 ALA CA C 13 54.443 0.033 . . . . . A 87 ALA CA . 25515 1 1010 . 1 1 92 92 ALA CB C 13 18.401 0.034 . . . . . A 87 ALA CB . 25515 1 1011 . 1 1 92 92 ALA N N 15 121.800 0.011 . . . . . A 87 ALA N . 25515 1 1012 . 1 1 93 93 GLU H H 1 7.777 0.007 . . . . . A 88 GLU H . 25515 1 1013 . 1 1 93 93 GLU HA H 1 3.875 0.008 . . . . . A 88 GLU HA . 25515 1 1014 . 1 1 93 93 GLU HB2 H 1 2.033 0.029 . . . . . A 88 GLU HB2 . 25515 1 1015 . 1 1 93 93 GLU HB3 H 1 1.943 0.020 . . . . . A 88 GLU HB3 . 25515 1 1016 . 1 1 93 93 GLU HG2 H 1 2.254 0.013 . . . . . A 88 GLU HG2 . 25515 1 1017 . 1 1 93 93 GLU HG3 H 1 2.065 0.016 . . . . . A 88 GLU HG3 . 25515 1 1018 . 1 1 93 93 GLU C C 13 174.071 0.004 . . . . . A 88 GLU C . 25515 1 1019 . 1 1 93 93 GLU CA C 13 58.766 0.042 . . . . . A 88 GLU CA . 25515 1 1020 . 1 1 93 93 GLU CB C 13 29.549 0.207 . . . . . A 88 GLU CB . 25515 1 1021 . 1 1 93 93 GLU CG C 13 36.273 0.027 . . . . . A 88 GLU CG . 25515 1 1022 . 1 1 93 93 GLU N N 15 118.012 0.012 . . . . . A 88 GLU N . 25515 1 1023 . 1 1 94 94 GLN H H 1 7.704 0.008 . . . . . A 89 GLN H . 25515 1 1024 . 1 1 94 94 GLN HA H 1 3.711 0.004 . . . . . A 89 GLN HA . 25515 1 1025 . 1 1 94 94 GLN HB2 H 1 1.108 0.001 . . . . . A 89 GLN HB2 . 25515 1 1026 . 1 1 94 94 GLN HB3 H 1 1.108 0.001 . . . . . A 89 GLN HB3 . 25515 1 1027 . 1 1 94 94 GLN HG2 H 1 1.552 0.021 . . . . . A 89 GLN HG2 . 25515 1 1028 . 1 1 94 94 GLN HG3 H 1 1.434 0.015 . . . . . A 89 GLN HG3 . 25515 1 1029 . 1 1 94 94 GLN C C 13 174.572 0.000 . . . . . A 89 GLN C . 25515 1 1030 . 1 1 94 94 GLN CA C 13 57.045 0.034 . . . . . A 89 GLN CA . 25515 1 1031 . 1 1 94 94 GLN CB C 13 28.664 0.000 . . . . . A 89 GLN CB . 25515 1 1032 . 1 1 94 94 GLN CG C 13 32.904 0.014 . . . . . A 89 GLN CG . 25515 1 1033 . 1 1 94 94 GLN N N 15 116.164 0.011 . . . . . A 89 GLN N . 25515 1 1034 . 1 1 95 95 PHE H H 1 8.241 0.011 . . . . . A 90 PHE H . 25515 1 1035 . 1 1 95 95 PHE HA H 1 4.710 0.004 . . . . . A 90 PHE HA . 25515 1 1036 . 1 1 95 95 PHE HB2 H 1 3.280 0.019 . . . . . A 90 PHE HB2 . 25515 1 1037 . 1 1 95 95 PHE HB3 H 1 2.609 0.025 . . . . . A 90 PHE HB3 . 25515 1 1038 . 1 1 95 95 PHE HD1 H 1 7.013 0.014 . . . . . A 90 PHE HD1 . 25515 1 1039 . 1 1 95 95 PHE HD2 H 1 7.013 0.014 . . . . . A 90 PHE HD2 . 25515 1 1040 . 1 1 95 95 PHE HE1 H 1 7.012 0.009 . . . . . A 90 PHE HE1 . 25515 1 1041 . 1 1 95 95 PHE HE2 H 1 7.012 0.009 . . . . . A 90 PHE HE2 . 25515 1 1042 . 1 1 95 95 PHE HZ H 1 7.129 0.003 . . . . . A 90 PHE HZ . 25515 1 1043 . 1 1 95 95 PHE C C 13 175.715 0.000 . . . . . A 90 PHE C . 25515 1 1044 . 1 1 95 95 PHE CA C 13 57.405 0.000 . . . . . A 90 PHE CA . 25515 1 1045 . 1 1 95 95 PHE CB C 13 40.203 0.069 . . . . . A 90 PHE CB . 25515 1 1046 . 1 1 95 95 PHE CD1 C 13 131.819 0.083 . . . . . A 90 PHE CD1 . 25515 1 1047 . 1 1 95 95 PHE CD2 C 13 131.819 0.083 . . . . . A 90 PHE CD2 . 25515 1 1048 . 1 1 95 95 PHE CE1 C 13 130.342 0.016 . . . . . A 90 PHE CE1 . 25515 1 1049 . 1 1 95 95 PHE CE2 C 13 130.342 0.016 . . . . . A 90 PHE CE2 . 25515 1 1050 . 1 1 95 95 PHE CZ C 13 132.617 0.016 . . . . . A 90 PHE CZ . 25515 1 1051 . 1 1 95 95 PHE N N 15 114.734 0.008 . . . . . A 90 PHE N . 25515 1 1052 . 1 1 96 96 GLY H H 1 7.668 0.012 . . . . . A 91 GLY H . 25515 1 1053 . 1 1 96 96 GLY HA2 H 1 4.432 0.006 . . . . . A 91 GLY HA2 . 25515 1 1054 . 1 1 96 96 GLY HA3 H 1 3.767 0.004 . . . . . A 91 GLY HA3 . 25515 1 1055 . 1 1 96 96 GLY C C 13 176.788 0.022 . . . . . A 91 GLY C . 25515 1 1056 . 1 1 96 96 GLY CA C 13 45.170 0.089 . . . . . A 91 GLY CA . 25515 1 1057 . 1 1 96 96 GLY N N 15 111.234 0.021 . . . . . A 91 GLY N . 25515 1 1058 . 1 1 97 97 GLU H H 1 8.793 0.004 . . . . . A 92 GLU H . 25515 1 1059 . 1 1 97 97 GLU HA H 1 3.842 0.028 . . . . . A 92 GLU HA . 25515 1 1060 . 1 1 97 97 GLU HB2 H 1 1.954 0.019 . . . . . A 92 GLU HB2 . 25515 1 1061 . 1 1 97 97 GLU HB3 H 1 1.951 0.010 . . . . . A 92 GLU HB3 . 25515 1 1062 . 1 1 97 97 GLU HG2 H 1 2.189 0.003 . . . . . A 92 GLU HG2 . 25515 1 1063 . 1 1 97 97 GLU HG3 H 1 2.189 0.003 . . . . . A 92 GLU HG3 . 25515 1 1064 . 1 1 97 97 GLU C C 13 174.798 0.691 . . . . . A 92 GLU C . 25515 1 1065 . 1 1 97 97 GLU CA C 13 59.258 0.039 . . . . . A 92 GLU CA . 25515 1 1066 . 1 1 97 97 GLU CB C 13 29.618 0.046 . . . . . A 92 GLU CB . 25515 1 1067 . 1 1 97 97 GLU CG C 13 36.359 0.098 . . . . . A 92 GLU CG . 25515 1 1068 . 1 1 97 97 GLU N N 15 123.392 0.009 . . . . . A 92 GLU N . 25515 1 1069 . 1 1 98 98 GLU H H 1 9.356 0.005 . . . . . A 93 GLU H . 25515 1 1070 . 1 1 98 98 GLU HA H 1 4.185 0.005 . . . . . A 93 GLU HA . 25515 1 1071 . 1 1 98 98 GLU HB2 H 1 2.022 0.008 . . . . . A 93 GLU HB2 . 25515 1 1072 . 1 1 98 98 GLU HB3 H 1 1.961 0.025 . . . . . A 93 GLU HB3 . 25515 1 1073 . 1 1 98 98 GLU HG2 H 1 2.240 0.042 . . . . . A 93 GLU HG2 . 25515 1 1074 . 1 1 98 98 GLU HG3 H 1 2.195 0.011 . . . . . A 93 GLU HG3 . 25515 1 1075 . 1 1 98 98 GLU C C 13 175.143 0.000 . . . . . A 93 GLU C . 25515 1 1076 . 1 1 98 98 GLU CA C 13 57.885 0.038 . . . . . A 93 GLU CA . 25515 1 1077 . 1 1 98 98 GLU CB C 13 29.067 0.139 . . . . . A 93 GLU CB . 25515 1 1078 . 1 1 98 98 GLU CG C 13 36.457 0.194 . . . . . A 93 GLU CG . 25515 1 1079 . 1 1 98 98 GLU N N 15 118.621 0.003 . . . . . A 93 GLU N . 25515 1 1080 . 1 1 99 99 ASN H H 1 7.881 0.007 . . . . . A 94 ASN H . 25515 1 1081 . 1 1 99 99 ASN HA H 1 4.911 0.004 . . . . . A 94 ASN HA . 25515 1 1082 . 1 1 99 99 ASN HB2 H 1 2.834 0.017 . . . . . A 94 ASN HB2 . 25515 1 1083 . 1 1 99 99 ASN HB3 H 1 2.528 0.014 . . . . . A 94 ASN HB3 . 25515 1 1084 . 1 1 99 99 ASN HD21 H 1 7.823 0.009 . . . . . A 94 ASN HD21 . 25515 1 1085 . 1 1 99 99 ASN HD22 H 1 7.009 0.006 . . . . . A 94 ASN HD22 . 25515 1 1086 . 1 1 99 99 ASN C C 13 176.192 0.009 . . . . . A 94 ASN C . 25515 1 1087 . 1 1 99 99 ASN CA C 13 53.311 0.044 . . . . . A 94 ASN CA . 25515 1 1088 . 1 1 99 99 ASN CB C 13 39.744 0.032 . . . . . A 94 ASN CB . 25515 1 1089 . 1 1 99 99 ASN N N 15 116.563 0.021 . . . . . A 94 ASN N . 25515 1 1090 . 1 1 99 99 ASN ND2 N 15 115.017 0.006 . . . . . A 94 ASN ND2 . 25515 1 1091 . 1 1 100 100 VAL H H 1 7.405 0.018 . . . . . A 95 VAL H . 25515 1 1092 . 1 1 100 100 VAL HA H 1 3.740 0.014 . . . . . A 95 VAL HA . 25515 1 1093 . 1 1 100 100 VAL HB H 1 2.046 0.015 . . . . . A 95 VAL HB . 25515 1 1094 . 1 1 100 100 VAL HG11 H 1 1.004 0.007 . . . . . A 95 VAL HG11 . 25515 1 1095 . 1 1 100 100 VAL HG12 H 1 1.004 0.007 . . . . . A 95 VAL HG12 . 25515 1 1096 . 1 1 100 100 VAL HG13 H 1 1.004 0.007 . . . . . A 95 VAL HG13 . 25515 1 1097 . 1 1 100 100 VAL HG21 H 1 0.866 0.011 . . . . . A 95 VAL HG21 . 25515 1 1098 . 1 1 100 100 VAL HG22 H 1 0.866 0.011 . . . . . A 95 VAL HG22 . 25515 1 1099 . 1 1 100 100 VAL HG23 H 1 0.866 0.011 . . . . . A 95 VAL HG23 . 25515 1 1100 . 1 1 100 100 VAL C C 13 175.715 0.000 . . . . . A 95 VAL C . 25515 1 1101 . 1 1 100 100 VAL CA C 13 65.498 0.041 . . . . . A 95 VAL CA . 25515 1 1102 . 1 1 100 100 VAL CB C 13 31.966 0.158 . . . . . A 95 VAL CB . 25515 1 1103 . 1 1 100 100 VAL CG1 C 13 22.446 0.017 . . . . . A 95 VAL CG1 . 25515 1 1104 . 1 1 100 100 VAL CG2 C 13 21.642 0.058 . . . . . A 95 VAL CG2 . 25515 1 1105 . 1 1 100 100 VAL N N 15 119.858 0.042 . . . . . A 95 VAL N . 25515 1 1106 . 1 1 101 101 ASN H H 1 8.356 0.004 . . . . . A 96 ASN H . 25515 1 1107 . 1 1 101 101 ASN HA H 1 4.458 0.012 . . . . . A 96 ASN HA . 25515 1 1108 . 1 1 101 101 ASN HB2 H 1 2.803 0.015 . . . . . A 96 ASN HB2 . 25515 1 1109 . 1 1 101 101 ASN HB3 H 1 2.803 0.015 . . . . . A 96 ASN HB3 . 25515 1 1110 . 1 1 101 101 ASN HD21 H 1 7.623 0.046 . . . . . A 96 ASN HD21 . 25515 1 1111 . 1 1 101 101 ASN HD22 H 1 6.955 0.001 . . . . . A 96 ASN HD22 . 25515 1 1112 . 1 1 101 101 ASN C C 13 175.322 0.000 . . . . . A 96 ASN C . 25515 1 1113 . 1 1 101 101 ASN CA C 13 55.718 0.045 . . . . . A 96 ASN CA . 25515 1 1114 . 1 1 101 101 ASN CB C 13 38.216 0.071 . . . . . A 96 ASN CB . 25515 1 1115 . 1 1 101 101 ASN N N 15 116.409 0.033 . . . . . A 96 ASN N . 25515 1 1116 . 1 1 101 101 ASN ND2 N 15 113.681 0.045 . . . . . A 96 ASN ND2 . 25515 1 1117 . 1 1 102 102 THR H H 1 7.575 0.003 . . . . . A 97 THR H . 25515 1 1118 . 1 1 102 102 THR HA H 1 3.993 0.008 . . . . . A 97 THR HA . 25515 1 1119 . 1 1 102 102 THR HB H 1 3.995 0.009 . . . . . A 97 THR HB . 25515 1 1120 . 1 1 102 102 THR HG21 H 1 0.960 0.015 . . . . . A 97 THR HG21 . 25515 1 1121 . 1 1 102 102 THR HG22 H 1 0.960 0.015 . . . . . A 97 THR HG22 . 25515 1 1122 . 1 1 102 102 THR HG23 H 1 0.960 0.015 . . . . . A 97 THR HG23 . 25515 1 1123 . 1 1 102 102 THR C C 13 177.418 0.000 . . . . . A 97 THR C . 25515 1 1124 . 1 1 102 102 THR CA C 13 63.604 0.000 . . . . . A 97 THR CA . 25515 1 1125 . 1 1 102 102 THR CB C 13 69.162 0.044 . . . . . A 97 THR CB . 25515 1 1126 . 1 1 102 102 THR CG2 C 13 21.704 0.045 . . . . . A 97 THR CG2 . 25515 1 1127 . 1 1 102 102 THR N N 15 111.266 0.024 . . . . . A 97 THR N . 25515 1 1128 . 1 1 103 103 TYR H H 1 7.480 0.031 . . . . . A 98 TYR H . 25515 1 1129 . 1 1 103 103 TYR HA H 1 4.322 0.000 . . . . . A 98 TYR HA . 25515 1 1130 . 1 1 103 103 TYR HB2 H 1 3.007 0.001 . . . . . A 98 TYR HB2 . 25515 1 1131 . 1 1 103 103 TYR HB3 H 1 2.815 0.008 . . . . . A 98 TYR HB3 . 25515 1 1132 . 1 1 103 103 TYR CA C 13 59.198 0.000 . . . . . A 98 TYR CA . 25515 1 1133 . 1 1 103 103 TYR CB C 13 39.244 0.010 . . . . . A 98 TYR CB . 25515 1 1134 . 1 1 103 103 TYR N N 15 119.963 0.125 . . . . . A 98 TYR N . 25515 1 1135 . 1 1 104 104 PHE HA H 1 4.560 0.013 . . . . . A 99 PHE HA . 25515 1 1136 . 1 1 104 104 PHE HB2 H 1 3.204 0.003 . . . . . A 99 PHE HB2 . 25515 1 1137 . 1 1 104 104 PHE HB3 H 1 2.543 0.009 . . . . . A 99 PHE HB3 . 25515 1 1138 . 1 1 104 104 PHE HD1 H 1 7.119 0.026 . . . . . A 99 PHE HD1 . 25515 1 1139 . 1 1 104 104 PHE HD2 H 1 7.119 0.026 . . . . . A 99 PHE HD2 . 25515 1 1140 . 1 1 104 104 PHE HE1 H 1 7.008 0.007 . . . . . A 99 PHE HE1 . 25515 1 1141 . 1 1 104 104 PHE HE2 H 1 7.008 0.007 . . . . . A 99 PHE HE2 . 25515 1 1142 . 1 1 104 104 PHE HZ H 1 6.805 0.004 . . . . . A 99 PHE HZ . 25515 1 1143 . 1 1 104 104 PHE C C 13 177.317 0.005 . . . . . A 99 PHE C . 25515 1 1144 . 1 1 104 104 PHE CA C 13 57.993 0.021 . . . . . A 99 PHE CA . 25515 1 1145 . 1 1 104 104 PHE CB C 13 40.642 0.029 . . . . . A 99 PHE CB . 25515 1 1146 . 1 1 104 104 PHE CD1 C 13 132.605 0.066 . . . . . A 99 PHE CD1 . 25515 1 1147 . 1 1 104 104 PHE CD2 C 13 132.605 0.066 . . . . . A 99 PHE CD2 . 25515 1 1148 . 1 1 104 104 PHE CE1 C 13 130.378 0.044 . . . . . A 99 PHE CE1 . 25515 1 1149 . 1 1 104 104 PHE CE2 C 13 130.378 0.044 . . . . . A 99 PHE CE2 . 25515 1 1150 . 1 1 104 104 PHE CZ C 13 128.351 0.032 . . . . . A 99 PHE CZ . 25515 1 1151 . 1 1 105 105 VAL H H 1 7.404 0.015 . . . . . A 100 VAL H . 25515 1 1152 . 1 1 105 105 VAL HA H 1 4.004 0.004 . . . . . A 100 VAL HA . 25515 1 1153 . 1 1 105 105 VAL HB H 1 2.047 0.005 . . . . . A 100 VAL HB . 25515 1 1154 . 1 1 105 105 VAL HG11 H 1 0.847 0.008 . . . . . A 100 VAL HG11 . 25515 1 1155 . 1 1 105 105 VAL HG12 H 1 0.847 0.008 . . . . . A 100 VAL HG12 . 25515 1 1156 . 1 1 105 105 VAL HG13 H 1 0.847 0.008 . . . . . A 100 VAL HG13 . 25515 1 1157 . 1 1 105 105 VAL C C 13 171.011 0.000 . . . . . A 100 VAL C . 25515 1 1158 . 1 1 105 105 VAL CA C 13 63.840 0.024 . . . . . A 100 VAL CA . 25515 1 1159 . 1 1 105 105 VAL CB C 13 32.969 0.024 . . . . . A 100 VAL CB . 25515 1 1160 . 1 1 105 105 VAL CG1 C 13 20.328 0.026 . . . . . A 100 VAL CG1 . 25515 1 1161 . 1 1 105 105 VAL N N 15 123.800 0.012 . . . . . A 100 VAL N . 25515 1 stop_ save_