data_25773 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25773 _Entry.Title ; 1H, 13C, 15N assignments of Trappin-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-26 _Entry.Accession_date 2015-08-26 _Entry.Last_release_date 2016-03-03 _Entry.Original_release_date 2016-03-03 _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 Karine LOTH . . . . 25773 2 Soha 'Abou Ibrahim Alami' . . . . 25773 3 Chahrazed Habes . . . . 25773 4 Marie-Louise Zani . . . . 25773 5 Agnes Delmas . . . . 25773 6 Thierry Moreau . . . . 25773 7 Celine Landon . . . . 25773 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25773 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 401 25773 '15N chemical shifts' 95 25773 '1H chemical shifts' 652 25773 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 . . 2016-08-04 2015-08-26 update BMRB 'update entry citation' 25773 1 . . 2016-03-03 2015-08-26 original author 'original release' 25773 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25771 Cementoin 25773 BMRB 25772 Elafin 25773 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25773 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26878852 _Citation.Full_citation . _Citation.Title ; Complete assignment of 15N, 13C Trappin-2 and 1H assignment of its two domains, Elafin and Cementoin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 223 _Citation.Page_last 226 _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 Karine Loth . . . . 25773 1 2 Soha 'Abou Ibrahim Alami' . . . . 25773 1 3 Chahrazed Habes . . . . 25773 1 4 Marie-Louise Zani . . . . 25773 1 5 Agnes Delmas . . . . 25773 1 6 Thierry Moreau . . . . 25773 1 7 Celine Landon . . . . 25773 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Cementoin 25773 1 Elafin 25773 1 'Inflammatory lung diseases' 25773 1 'Protease inhibitor' 25773 1 'Serine proteases' 25773 1 Trappin-2 25773 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25773 _Assembly.ID 1 _Assembly.Name Trappin-2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Trappin-2 1 $Trappin-2 A . yes native no no . . . 25773 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 54 54 SG . 1 . 1 CYS 83 83 SG . . . . . . . . . . 25773 1 2 disulfide single . 1 . 1 CYS 70 70 SG . 1 . 1 CYS 82 82 SG . . . . . . . . . . 25773 1 3 disulfide single . 1 . 1 CYS 76 76 SG . 1 . 1 CYS 91 91 SG . . . . . . . . . . 25773 1 4 disulfide single . 1 . 1 CYS 61 61 SG . 1 . 1 CYS 87 87 SG . . . . . . . . . . 25773 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Trappin-2 _Entity.Sf_category entity _Entity.Sf_framecode Trappin-2 _Entity.Entry_ID 25773 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Trappin-2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AVTGVPVKGQDTVKGRVPFN GQDPVKGQVSVKGQDKVKAQ EPVKGPVSTKPGSCPIILIR CAMLNPPNRCLKDTDCPGIK KCCEGSCGMACFVPQ ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 25773 1 2 2 VAL . 25773 1 3 3 THR . 25773 1 4 4 GLY . 25773 1 5 5 VAL . 25773 1 6 6 PRO . 25773 1 7 7 VAL . 25773 1 8 8 LYS . 25773 1 9 9 GLY . 25773 1 10 10 GLN . 25773 1 11 11 ASP . 25773 1 12 12 THR . 25773 1 13 13 VAL . 25773 1 14 14 LYS . 25773 1 15 15 GLY . 25773 1 16 16 ARG . 25773 1 17 17 VAL . 25773 1 18 18 PRO . 25773 1 19 19 PHE . 25773 1 20 20 ASN . 25773 1 21 21 GLY . 25773 1 22 22 GLN . 25773 1 23 23 ASP . 25773 1 24 24 PRO . 25773 1 25 25 VAL . 25773 1 26 26 LYS . 25773 1 27 27 GLY . 25773 1 28 28 GLN . 25773 1 29 29 VAL . 25773 1 30 30 SER . 25773 1 31 31 VAL . 25773 1 32 32 LYS . 25773 1 33 33 GLY . 25773 1 34 34 GLN . 25773 1 35 35 ASP . 25773 1 36 36 LYS . 25773 1 37 37 VAL . 25773 1 38 38 LYS . 25773 1 39 39 ALA . 25773 1 40 40 GLN . 25773 1 41 41 GLU . 25773 1 42 42 PRO . 25773 1 43 43 VAL . 25773 1 44 44 LYS . 25773 1 45 45 GLY . 25773 1 46 46 PRO . 25773 1 47 47 VAL . 25773 1 48 48 SER . 25773 1 49 49 THR . 25773 1 50 50 LYS . 25773 1 51 51 PRO . 25773 1 52 52 GLY . 25773 1 53 53 SER . 25773 1 54 54 CYS . 25773 1 55 55 PRO . 25773 1 56 56 ILE . 25773 1 57 57 ILE . 25773 1 58 58 LEU . 25773 1 59 59 ILE . 25773 1 60 60 ARG . 25773 1 61 61 CYS . 25773 1 62 62 ALA . 25773 1 63 63 MET . 25773 1 64 64 LEU . 25773 1 65 65 ASN . 25773 1 66 66 PRO . 25773 1 67 67 PRO . 25773 1 68 68 ASN . 25773 1 69 69 ARG . 25773 1 70 70 CYS . 25773 1 71 71 LEU . 25773 1 72 72 LYS . 25773 1 73 73 ASP . 25773 1 74 74 THR . 25773 1 75 75 ASP . 25773 1 76 76 CYS . 25773 1 77 77 PRO . 25773 1 78 78 GLY . 25773 1 79 79 ILE . 25773 1 80 80 LYS . 25773 1 81 81 LYS . 25773 1 82 82 CYS . 25773 1 83 83 CYS . 25773 1 84 84 GLU . 25773 1 85 85 GLY . 25773 1 86 86 SER . 25773 1 87 87 CYS . 25773 1 88 88 GLY . 25773 1 89 89 MET . 25773 1 90 90 ALA . 25773 1 91 91 CYS . 25773 1 92 92 PHE . 25773 1 93 93 VAL . 25773 1 94 94 PRO . 25773 1 95 95 GLN . 25773 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 . ALA 1 1 25773 1 . VAL 2 2 25773 1 . THR 3 3 25773 1 . GLY 4 4 25773 1 . VAL 5 5 25773 1 . PRO 6 6 25773 1 . VAL 7 7 25773 1 . LYS 8 8 25773 1 . GLY 9 9 25773 1 . GLN 10 10 25773 1 . ASP 11 11 25773 1 . THR 12 12 25773 1 . VAL 13 13 25773 1 . LYS 14 14 25773 1 . GLY 15 15 25773 1 . ARG 16 16 25773 1 . VAL 17 17 25773 1 . PRO 18 18 25773 1 . PHE 19 19 25773 1 . ASN 20 20 25773 1 . GLY 21 21 25773 1 . GLN 22 22 25773 1 . ASP 23 23 25773 1 . PRO 24 24 25773 1 . VAL 25 25 25773 1 . LYS 26 26 25773 1 . GLY 27 27 25773 1 . GLN 28 28 25773 1 . VAL 29 29 25773 1 . SER 30 30 25773 1 . VAL 31 31 25773 1 . LYS 32 32 25773 1 . GLY 33 33 25773 1 . GLN 34 34 25773 1 . ASP 35 35 25773 1 . LYS 36 36 25773 1 . VAL 37 37 25773 1 . LYS 38 38 25773 1 . ALA 39 39 25773 1 . GLN 40 40 25773 1 . GLU 41 41 25773 1 . PRO 42 42 25773 1 . VAL 43 43 25773 1 . LYS 44 44 25773 1 . GLY 45 45 25773 1 . PRO 46 46 25773 1 . VAL 47 47 25773 1 . SER 48 48 25773 1 . THR 49 49 25773 1 . LYS 50 50 25773 1 . PRO 51 51 25773 1 . GLY 52 52 25773 1 . SER 53 53 25773 1 . CYS 54 54 25773 1 . PRO 55 55 25773 1 . ILE 56 56 25773 1 . ILE 57 57 25773 1 . LEU 58 58 25773 1 . ILE 59 59 25773 1 . ARG 60 60 25773 1 . CYS 61 61 25773 1 . ALA 62 62 25773 1 . MET 63 63 25773 1 . LEU 64 64 25773 1 . ASN 65 65 25773 1 . PRO 66 66 25773 1 . PRO 67 67 25773 1 . ASN 68 68 25773 1 . ARG 69 69 25773 1 . CYS 70 70 25773 1 . LEU 71 71 25773 1 . LYS 72 72 25773 1 . ASP 73 73 25773 1 . THR 74 74 25773 1 . ASP 75 75 25773 1 . CYS 76 76 25773 1 . PRO 77 77 25773 1 . GLY 78 78 25773 1 . ILE 79 79 25773 1 . LYS 80 80 25773 1 . LYS 81 81 25773 1 . CYS 82 82 25773 1 . CYS 83 83 25773 1 . GLU 84 84 25773 1 . GLY 85 85 25773 1 . SER 86 86 25773 1 . CYS 87 87 25773 1 . GLY 88 88 25773 1 . MET 89 89 25773 1 . ALA 90 90 25773 1 . CYS 91 91 25773 1 . PHE 92 92 25773 1 . VAL 93 93 25773 1 . PRO 94 94 25773 1 . GLN 95 95 25773 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 25773 _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 $Trappin-2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25773 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 25773 _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 $Trappin-2 . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris GS115 . . . . . pPIC9 . . . 25773 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25773 _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 Trappin-2 '[U-100% 13C; U-100% 15N]' . . 1 $Trappin-2 . . 0.3 . . mM . . . . 25773 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25773 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25773 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25773 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25773 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25773 _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' 300 . mM 25773 1 pH 6.1 . pH 25773 1 pressure 1 . atm 25773 1 temperature 288 . K 25773 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25773 _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' . . 25773 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25773 1 processing 25773 1 stop_ save_ save_Ccpnmr _Software.Sf_category software _Software.Sf_framecode Ccpnmr _Software.Entry_ID 25773 _Software.ID 2 _Software.Name Ccpnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25773 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25773 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25773 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25773 _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 . 700 . . . 25773 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 25773 _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 . . . . . . . . . . . . . . . . 25773 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25773 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25773 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25773 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25773 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25773 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25773 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25773 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25773 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25773 1 11 '3D HNHAHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25773 1 12 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25773 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25773 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 25773 _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 . . . . . 25773 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25773 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25773 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 25773 _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' . . . 25773 1 2 '2D 1H-13C HSQC' . . . 25773 1 3 '3D HNCO' . . . 25773 1 4 '3D HNCA' . . . 25773 1 5 '3D HN(CO)CA' . . . 25773 1 6 '3D HNCACB' . . . 25773 1 7 '3D CBCA(CO)NH' . . . 25773 1 8 '3D C(CO)NH' . . . 25773 1 9 '3D H(CCO)NH' . . . 25773 1 10 '3D HBHA(CO)NH' . . . 25773 1 11 '3D HNHAHB' . . . 25773 1 12 '3D HN(CA)CO' . . . 25773 1 13 '3D HCCH-TOCSY' . . . 25773 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.136 0.02 . 1 . . . . 1 Ala HA . 25773 1 2 . 1 1 1 1 ALA HB1 H 1 1.506 0.02 . 1 . . . . 1 Ala HB1 . 25773 1 3 . 1 1 1 1 ALA HB2 H 1 1.506 0.02 . 1 . . . . 1 Ala HB2 . 25773 1 4 . 1 1 1 1 ALA HB3 H 1 1.506 0.02 . 1 . . . . 1 Ala HB3 . 25773 1 5 . 1 1 1 1 ALA C C 13 173.757 0.2 . 1 . . . . 1 Ala C . 25773 1 6 . 1 1 1 1 ALA CA C 13 51.725 0.2 . 1 . . . . 1 Ala CA . 25773 1 7 . 1 1 1 1 ALA CB C 13 19.649 0.2 . 1 . . . . 1 Ala CB . 25773 1 8 . 1 1 2 2 VAL H H 1 8.597 0.02 . 1 . . . . 2 Val HN . 25773 1 9 . 1 1 2 2 VAL HA H 1 4.240 0.02 . 1 . . . . 2 Val HA . 25773 1 10 . 1 1 2 2 VAL HB H 1 2.077 0.02 . 1 . . . . 2 Val HB . 25773 1 11 . 1 1 2 2 VAL HG11 H 1 0.957 0.02 . 1 . . . . 2 Val HG11 . 25773 1 12 . 1 1 2 2 VAL HG12 H 1 0.957 0.02 . 1 . . . . 2 Val HG12 . 25773 1 13 . 1 1 2 2 VAL HG13 H 1 0.957 0.02 . 1 . . . . 2 Val HG13 . 25773 1 14 . 1 1 2 2 VAL HG21 H 1 0.961 0.02 . 1 . . . . 2 Val HG21 . 25773 1 15 . 1 1 2 2 VAL HG22 H 1 0.961 0.02 . 1 . . . . 2 Val HG22 . 25773 1 16 . 1 1 2 2 VAL HG23 H 1 0.961 0.02 . 1 . . . . 2 Val HG23 . 25773 1 17 . 1 1 2 2 VAL C C 13 176.329 0.2 . 1 . . . . 2 Val C . 25773 1 18 . 1 1 2 2 VAL CA C 13 62.246 0.2 . 1 . . . . 2 Val CA . 25773 1 19 . 1 1 2 2 VAL CB C 13 32.515 0.2 . 1 . . . . 2 Val CB . 25773 1 20 . 1 1 2 2 VAL CG1 C 13 20.351 0.2 . 1 . . . . 2 Val CG1 . 25773 1 21 . 1 1 2 2 VAL CG2 C 13 21.182 0.2 . 1 . . . . 2 Val CG2 . 25773 1 22 . 1 1 2 2 VAL N N 15 119.411 0.2 . 1 . . . . 2 Val N . 25773 1 23 . 1 1 3 3 THR H H 1 8.391 0.02 . 1 . . . . 3 Thr HN . 25773 1 24 . 1 1 3 3 THR HA H 1 4.356 0.02 . 1 . . . . 3 Thr HA . 25773 1 25 . 1 1 3 3 THR HB H 1 4.186 0.02 . 1 . . . . 3 Thr HB . 25773 1 26 . 1 1 3 3 THR HG21 H 1 1.194 0.02 . 1 . . . . 3 Thr HG21 . 25773 1 27 . 1 1 3 3 THR HG22 H 1 1.194 0.02 . 1 . . . . 3 Thr HG22 . 25773 1 28 . 1 1 3 3 THR HG23 H 1 1.194 0.02 . 1 . . . . 3 Thr HG23 . 25773 1 29 . 1 1 3 3 THR C C 13 174.906 0.2 . 1 . . . . 3 Thr C . 25773 1 30 . 1 1 3 3 THR CA C 13 61.912 0.2 . 1 . . . . 3 Thr CA . 25773 1 31 . 1 1 3 3 THR CB C 13 70.005 0.2 . 1 . . . . 3 Thr CB . 25773 1 32 . 1 1 3 3 THR CG2 C 13 21.711 0.2 . 1 . . . . 3 Thr CG2 . 25773 1 33 . 1 1 3 3 THR N N 15 118.849 0.2 . 1 . . . . 3 Thr N . 25773 1 34 . 1 1 4 4 GLY H H 1 8.492 0.02 . 1 . . . . 4 Gly HN . 25773 1 35 . 1 1 4 4 GLY HA2 H 1 3.955 0.02 . 1 . . . . 4 Gly HA1 . 25773 1 36 . 1 1 4 4 GLY HA3 H 1 3.953 0.02 . 1 . . . . 4 Gly HA2 . 25773 1 37 . 1 1 4 4 GLY C C 13 173.748 0.2 . 1 . . . . 4 Gly C . 25773 1 38 . 1 1 4 4 GLY CA C 13 45.090 0.2 . 1 . . . . 4 Gly CA . 25773 1 39 . 1 1 4 4 GLY N N 15 111.750 0.2 . 1 . . . . 4 Gly N . 25773 1 40 . 1 1 5 5 VAL H H 1 8.046 0.02 . 1 . . . . 5 Val HN . 25773 1 41 . 1 1 5 5 VAL HA H 1 4.408 0.02 . 1 . . . . 5 Val HA . 25773 1 42 . 1 1 5 5 VAL HB H 1 2.055 0.02 . 1 . . . . 5 Val HB . 25773 1 43 . 1 1 5 5 VAL HG11 H 1 0.934 0.02 . 1 . . . . 5 Val HG11 . 25773 1 44 . 1 1 5 5 VAL HG12 H 1 0.934 0.02 . 1 . . . . 5 Val HG12 . 25773 1 45 . 1 1 5 5 VAL HG13 H 1 0.934 0.02 . 1 . . . . 5 Val HG13 . 25773 1 46 . 1 1 5 5 VAL HG21 H 1 0.924 0.02 . 1 . . . . 5 Val HG21 . 25773 1 47 . 1 1 5 5 VAL HG22 H 1 0.924 0.02 . 1 . . . . 5 Val HG22 . 25773 1 48 . 1 1 5 5 VAL HG23 H 1 0.924 0.02 . 1 . . . . 5 Val HG23 . 25773 1 49 . 1 1 5 5 VAL C C 13 174.693 0.2 . 1 . . . . 5 Val C . 25773 1 50 . 1 1 5 5 VAL CA C 13 59.960 0.2 . 1 . . . . 5 Val CA . 25773 1 51 . 1 1 5 5 VAL CB C 13 32.596 0.2 . 1 . . . . 5 Val CB . 25773 1 52 . 1 1 5 5 VAL CG1 C 13 20.945 0.2 . 1 . . . . 5 Val CG1 . 25773 1 53 . 1 1 5 5 VAL CG2 C 13 20.306 0.2 . 1 . . . . 5 Val CG2 . 25773 1 54 . 1 1 5 5 VAL N N 15 121.142 0.2 . 1 . . . . 5 Val N . 25773 1 55 . 1 1 6 6 PRO HA H 1 4.309 0.02 . 1 . . . . 6 Pro HA . 25773 1 56 . 1 1 6 6 PRO HB2 H 1 2.244 0.02 . 1 . . . . 6 Pro HB1 . 25773 1 57 . 1 1 6 6 PRO HB3 H 1 1.826 0.02 . 1 . . . . 6 Pro HB2 . 25773 1 58 . 1 1 6 6 PRO HG2 H 1 2.000 0.02 . 1 . . . . 6 Pro HG1 . 25773 1 59 . 1 1 6 6 PRO HG3 H 1 2.000 0.02 . 1 . . . . 6 Pro HG2 . 25773 1 60 . 1 1 6 6 PRO HD2 H 1 3.751 0.02 . 1 . . . . 6 Pro HD1 . 25773 1 61 . 1 1 6 6 PRO HD3 H 1 3.846 0.02 . 1 . . . . 6 Pro HD2 . 25773 1 62 . 1 1 6 6 PRO C C 13 174.307 0.2 . 1 . . . . 6 Pro C . 25773 1 63 . 1 1 6 6 PRO CA C 13 62.794 0.2 . 1 . . . . 6 Pro CA . 25773 1 64 . 1 1 6 6 PRO CB C 13 32.163 0.2 . 1 . . . . 6 Pro CB . 25773 1 65 . 1 1 6 6 PRO CG C 13 27.364 0.2 . 1 . . . . 6 Pro CG . 25773 1 66 . 1 1 6 6 PRO CD C 13 50.680 0.2 . 1 . . . . 6 Pro CD . 25773 1 67 . 1 1 7 7 VAL H H 1 8.333 0.02 . 1 . . . . 7 Val HN . 25773 1 68 . 1 1 7 7 VAL HA H 1 4.030 0.02 . 1 . . . . 7 Val HA . 25773 1 69 . 1 1 7 7 VAL HB H 1 2.018 0.02 . 1 . . . . 7 Val HB . 25773 1 70 . 1 1 7 7 VAL HG11 H 1 0.982 0.02 . 1 . . . . 7 Val HG11 . 25773 1 71 . 1 1 7 7 VAL HG12 H 1 0.982 0.02 . 1 . . . . 7 Val HG12 . 25773 1 72 . 1 1 7 7 VAL HG13 H 1 0.982 0.02 . 1 . . . . 7 Val HG13 . 25773 1 73 . 1 1 7 7 VAL HG21 H 1 0.924 0.02 . 1 . . . . 7 Val HG21 . 25773 1 74 . 1 1 7 7 VAL HG22 H 1 0.924 0.02 . 1 . . . . 7 Val HG22 . 25773 1 75 . 1 1 7 7 VAL HG23 H 1 0.924 0.02 . 1 . . . . 7 Val HG23 . 25773 1 76 . 1 1 7 7 VAL C C 13 176.271 0.2 . 1 . . . . 7 Val C . 25773 1 77 . 1 1 7 7 VAL CA C 13 62.331 0.2 . 1 . . . . 7 Val CA . 25773 1 78 . 1 1 7 7 VAL CB C 13 32.598 0.2 . 1 . . . . 7 Val CB . 25773 1 79 . 1 1 7 7 VAL CG1 C 13 21.184 0.2 . 1 . . . . 7 Val CG1 . 25773 1 80 . 1 1 7 7 VAL CG2 C 13 21.184 0.2 . 1 . . . . 7 Val CG2 . 25773 1 81 . 1 1 7 7 VAL N N 15 120.003 0.2 . 1 . . . . 7 Val N . 25773 1 82 . 1 1 8 8 LYS H H 1 8.505 0.02 . 1 . . . . 8 Lys HN . 25773 1 83 . 1 1 8 8 LYS HA H 1 4.295 0.02 . 1 . . . . 8 Lys HA . 25773 1 84 . 1 1 8 8 LYS HB2 H 1 1.788 0.02 . 1 . . . . 8 Lys HB1 . 25773 1 85 . 1 1 8 8 LYS HB3 H 1 1.788 0.02 . 1 . . . . 8 Lys HB2 . 25773 1 86 . 1 1 8 8 LYS HG2 H 1 1.423 0.02 . 1 . . . . 8 Lys HG1 . 25773 1 87 . 1 1 8 8 LYS HG3 H 1 1.423 0.02 . 1 . . . . 8 Lys HG2 . 25773 1 88 . 1 1 8 8 LYS HD2 H 1 1.658 0.02 . 1 . . . . 8 Lys HD1 . 25773 1 89 . 1 1 8 8 LYS HD3 H 1 1.658 0.02 . 1 . . . . 8 Lys HD2 . 25773 1 90 . 1 1 8 8 LYS HE2 H 1 2.987 0.02 . 1 . . . . 8 Lys HE1 . 25773 1 91 . 1 1 8 8 LYS HE3 H 1 2.987 0.02 . 1 . . . . 8 Lys HE2 . 25773 1 92 . 1 1 8 8 LYS C C 13 177.115 0.2 . 1 . . . . 8 Lys C . 25773 1 93 . 1 1 8 8 LYS CA C 13 56.563 0.2 . 1 . . . . 8 Lys CA . 25773 1 94 . 1 1 8 8 LYS CB C 13 32.987 0.2 . 1 . . . . 8 Lys CB . 25773 1 95 . 1 1 8 8 LYS CG C 13 24.807 0.2 . 1 . . . . 8 Lys CG . 25773 1 96 . 1 1 8 8 LYS CD C 13 29.159 0.2 . 1 . . . . 8 Lys CD . 25773 1 97 . 1 1 8 8 LYS CE C 13 42.155 0.2 . 1 . . . . 8 Lys CE . 25773 1 98 . 1 1 8 8 LYS N N 15 126.123 0.2 . 1 . . . . 8 Lys N . 25773 1 99 . 1 1 9 9 GLY H H 1 8.593 0.02 . 1 . . . . 9 Gly HN . 25773 1 100 . 1 1 9 9 GLY HA2 H 1 3.953 0.02 . 1 . . . . 9 Gly HA1 . 25773 1 101 . 1 1 9 9 GLY HA3 H 1 3.953 0.02 . 1 . . . . 9 Gly HA2 . 25773 1 102 . 1 1 9 9 GLY C C 13 174.218 0.2 . 1 . . . . 9 Gly C . 25773 1 103 . 1 1 9 9 GLY CA C 13 45.362 0.2 . 1 . . . . 9 Gly CA . 25773 1 104 . 1 1 9 9 GLY N N 15 111.246 0.2 . 1 . . . . 9 Gly N . 25773 1 105 . 1 1 10 10 GLN H H 1 8.320 0.02 . 1 . . . . 10 Gln HN . 25773 1 106 . 1 1 10 10 GLN HA H 1 4.328 0.02 . 1 . . . . 10 Gln HA . 25773 1 107 . 1 1 10 10 GLN HB2 H 1 2.117 0.02 . 1 . . . . 10 Gln HB1 . 25773 1 108 . 1 1 10 10 GLN HB3 H 1 1.952 0.02 . 1 . . . . 10 Gln HB2 . 25773 1 109 . 1 1 10 10 GLN HG2 H 1 2.319 0.02 . 1 . . . . 10 Gln HG1 . 25773 1 110 . 1 1 10 10 GLN HG3 H 1 2.349 0.02 . 1 . . . . 10 Gln HG2 . 25773 1 111 . 1 1 10 10 GLN HE21 H 1 6.883 0.02 . 1 . . . . 10 Gln HE21 . 25773 1 112 . 1 1 10 10 GLN HE22 H 1 7.602 0.02 . 1 . . . . 10 Gln HE22 . 25773 1 113 . 1 1 10 10 GLN C C 13 176.009 0.2 . 1 . . . . 10 Gln C . 25773 1 114 . 1 1 10 10 GLN CA C 13 55.912 0.2 . 1 . . . . 10 Gln CA . 25773 1 115 . 1 1 10 10 GLN CB C 13 29.580 0.2 . 1 . . . . 10 Gln CB . 25773 1 116 . 1 1 10 10 GLN CG C 13 34.000 0.2 . 1 . . . . 10 Gln CG . 25773 1 117 . 1 1 10 10 GLN N N 15 119.903 0.2 . 1 . . . . 10 Gln N . 25773 1 118 . 1 1 10 10 GLN NE2 N 15 112.855 0.2 . 1 . . . . 10 Gln NE2 . 25773 1 119 . 1 1 11 11 ASP H H 1 8.570 0.02 . 1 . . . . 11 Asp HN . 25773 1 120 . 1 1 11 11 ASP HA H 1 4.658 0.02 . 1 . . . . 11 Asp HA . 25773 1 121 . 1 1 11 11 ASP HB2 H 1 2.699 0.02 . 1 . . . . 11 Asp HB1 . 25773 1 122 . 1 1 11 11 ASP HB3 H 1 2.625 0.02 . 1 . . . . 11 Asp HB2 . 25773 1 123 . 1 1 11 11 ASP C C 13 176.605 0.2 . 1 . . . . 11 Asp C . 25773 1 124 . 1 1 11 11 ASP CA C 13 54.407 0.2 . 1 . . . . 11 Asp CA . 25773 1 125 . 1 1 11 11 ASP CB C 13 41.121 0.2 . 1 . . . . 11 Asp CB . 25773 1 126 . 1 1 11 11 ASP N N 15 121.666 0.2 . 1 . . . . 11 Asp N . 25773 1 127 . 1 1 12 12 THR H H 1 8.157 0.02 . 1 . . . . 12 Thr HN . 25773 1 128 . 1 1 12 12 THR HA H 1 4.310 0.02 . 1 . . . . 12 Thr HA . 25773 1 129 . 1 1 12 12 THR HB H 1 4.206 0.02 . 1 . . . . 12 Thr HB . 25773 1 130 . 1 1 12 12 THR HG21 H 1 1.185 0.02 . 1 . . . . 12 Thr HG21 . 25773 1 131 . 1 1 12 12 THR HG22 H 1 1.185 0.02 . 1 . . . . 12 Thr HG22 . 25773 1 132 . 1 1 12 12 THR HG23 H 1 1.185 0.02 . 1 . . . . 12 Thr HG23 . 25773 1 133 . 1 1 12 12 THR C C 13 174.807 0.2 . 1 . . . . 12 Thr C . 25773 1 134 . 1 1 12 12 THR CA C 13 62.229 0.2 . 1 . . . . 12 Thr CA . 25773 1 135 . 1 1 12 12 THR CB C 13 69.978 0.2 . 1 . . . . 12 Thr CB . 25773 1 136 . 1 1 12 12 THR CG2 C 13 21.909 0.2 . 1 . . . . 12 Thr CG2 . 25773 1 137 . 1 1 12 12 THR N N 15 114.517 0.2 . 1 . . . . 12 Thr N . 25773 1 138 . 1 1 13 13 VAL H H 1 8.202 0.02 . 1 . . . . 13 Val HN . 25773 1 139 . 1 1 13 13 VAL HA H 1 4.060 0.02 . 1 . . . . 13 Val HA . 25773 1 140 . 1 1 13 13 VAL HB H 1 2.062 0.02 . 1 . . . . 13 Val HB . 25773 1 141 . 1 1 13 13 VAL HG11 H 1 0.925 0.02 . 1 . . . . 13 Val HG11 . 25773 1 142 . 1 1 13 13 VAL HG12 H 1 0.925 0.02 . 1 . . . . 13 Val HG12 . 25773 1 143 . 1 1 13 13 VAL HG13 H 1 0.925 0.02 . 1 . . . . 13 Val HG13 . 25773 1 144 . 1 1 13 13 VAL HG21 H 1 0.925 0.02 . 1 . . . . 13 Val HG21 . 25773 1 145 . 1 1 13 13 VAL HG22 H 1 0.925 0.02 . 1 . . . . 13 Val HG22 . 25773 1 146 . 1 1 13 13 VAL HG23 H 1 0.925 0.02 . 1 . . . . 13 Val HG23 . 25773 1 147 . 1 1 13 13 VAL C C 13 176.385 0.2 . 1 . . . . 13 Val C . 25773 1 148 . 1 1 13 13 VAL CA C 13 62.606 0.2 . 1 . . . . 13 Val CA . 25773 1 149 . 1 1 13 13 VAL CB C 13 32.654 0.2 . 1 . . . . 13 Val CB . 25773 1 150 . 1 1 13 13 VAL CG1 C 13 20.913 0.2 . 1 . . . . 13 Val CG1 . 25773 1 151 . 1 1 13 13 VAL CG2 C 13 20.913 0.2 . 1 . . . . 13 Val CG2 . 25773 1 152 . 1 1 13 13 VAL N N 15 123.068 0.2 . 1 . . . . 13 Val N . 25773 1 153 . 1 1 14 14 LYS H H 1 8.478 0.02 . 1 . . . . 14 Lys HN . 25773 1 154 . 1 1 14 14 LYS HA H 1 4.288 0.02 . 1 . . . . 14 Lys HA . 25773 1 155 . 1 1 14 14 LYS HB2 H 1 1.807 0.02 . 1 . . . . 14 Lys HB1 . 25773 1 156 . 1 1 14 14 LYS HB3 H 1 1.808 0.02 . 1 . . . . 14 Lys HB2 . 25773 1 157 . 1 1 14 14 LYS HG2 H 1 1.433 0.02 . 1 . . . . 14 Lys HG1 . 25773 1 158 . 1 1 14 14 LYS HG3 H 1 1.437 0.02 . 1 . . . . 14 Lys HG2 . 25773 1 159 . 1 1 14 14 LYS HD2 H 1 1.686 0.02 . 1 . . . . 14 Lys HD1 . 25773 1 160 . 1 1 14 14 LYS HD3 H 1 1.686 0.02 . 1 . . . . 14 Lys HD2 . 25773 1 161 . 1 1 14 14 LYS HE2 H 1 2.997 0.02 . 1 . . . . 14 Lys HE1 . 25773 1 162 . 1 1 14 14 LYS HE3 H 1 2.997 0.02 . 1 . . . . 14 Lys HE2 . 25773 1 163 . 1 1 14 14 LYS C C 13 177.324 0.2 . 1 . . . . 14 Lys C . 25773 1 164 . 1 1 14 14 LYS CA C 13 56.628 0.2 . 1 . . . . 14 Lys CA . 25773 1 165 . 1 1 14 14 LYS CB C 13 32.936 0.2 . 1 . . . . 14 Lys CB . 25773 1 166 . 1 1 14 14 LYS CG C 13 24.774 0.2 . 1 . . . . 14 Lys CG . 25773 1 167 . 1 1 14 14 LYS CD C 13 29.173 0.2 . 1 . . . . 14 Lys CD . 25773 1 168 . 1 1 14 14 LYS CE C 13 42.194 0.2 . 1 . . . . 14 Lys CE . 25773 1 169 . 1 1 14 14 LYS N N 15 125.521 0.2 . 1 . . . . 14 Lys N . 25773 1 170 . 1 1 15 15 GLY H H 1 8.566 0.02 . 1 . . . . 15 Gly HN . 25773 1 171 . 1 1 15 15 GLY HA2 H 1 3.938 0.02 . 1 . . . . 15 Gly HA1 . 25773 1 172 . 1 1 15 15 GLY HA3 H 1 3.934 0.02 . 1 . . . . 15 Gly HA2 . 25773 1 173 . 1 1 15 15 GLY C C 13 174.482 0.2 . 1 . . . . 15 Gly C . 25773 1 174 . 1 1 15 15 GLY CA C 13 45.228 0.2 . 1 . . . . 15 Gly CA . 25773 1 175 . 1 1 15 15 GLY N N 15 110.955 0.2 . 1 . . . . 15 Gly N . 25773 1 176 . 1 1 16 16 ARG H H 1 8.170 0.02 . 1 . . . . 16 Arg HN . 25773 1 177 . 1 1 16 16 ARG HA H 1 4.357 0.02 . 1 . . . . 16 Arg HA . 25773 1 178 . 1 1 16 16 ARG HB2 H 1 1.825 0.02 . 1 . . . . 16 Arg HB1 . 25773 1 179 . 1 1 16 16 ARG HB3 H 1 1.731 0.02 . 1 . . . . 16 Arg HB2 . 25773 1 180 . 1 1 16 16 ARG HG2 H 1 1.549 0.02 . 1 . . . . 16 Arg HG1 . 25773 1 181 . 1 1 16 16 ARG HG3 H 1 1.628 0.02 . 1 . . . . 16 Arg HG2 . 25773 1 182 . 1 1 16 16 ARG HD2 H 1 3.188 0.02 . 1 . . . . 16 Arg HD1 . 25773 1 183 . 1 1 16 16 ARG HD3 H 1 3.186 0.02 . 1 . . . . 16 Arg HD2 . 25773 1 184 . 1 1 16 16 ARG HE H 1 7.256 0.02 . 1 . . . . 16 Arg HE . 25773 1 185 . 1 1 16 16 ARG C C 13 176.383 0.2 . 1 . . . . 16 Arg C . 25773 1 186 . 1 1 16 16 ARG CA C 13 55.988 0.2 . 1 . . . . 16 Arg CA . 25773 1 187 . 1 1 16 16 ARG CB C 13 30.925 0.2 . 1 . . . . 16 Arg CB . 25773 1 188 . 1 1 16 16 ARG CG C 13 27.243 0.2 . 1 . . . . 16 Arg CG . 25773 1 189 . 1 1 16 16 ARG CD C 13 43.504 0.2 . 1 . . . . 16 Arg CD . 25773 1 190 . 1 1 16 16 ARG N N 15 120.693 0.2 . 1 . . . . 16 Arg N . 25773 1 191 . 1 1 16 16 ARG NE N 15 84.941 0.2 . 1 . . . . 16 Arg NE . 25773 1 192 . 1 1 17 17 VAL H H 1 8.315 0.02 . 1 . . . . 17 Val HN . 25773 1 193 . 1 1 17 17 VAL HA H 1 4.152 0.02 . 1 . . . . 17 Val HA . 25773 1 194 . 1 1 17 17 VAL HB H 1 2.063 0.02 . 1 . . . . 17 Val HB . 25773 1 195 . 1 1 17 17 VAL HG11 H 1 0.928 0.02 . 1 . . . . 17 Val HG11 . 25773 1 196 . 1 1 17 17 VAL HG12 H 1 0.928 0.02 . 1 . . . . 17 Val HG12 . 25773 1 197 . 1 1 17 17 VAL HG13 H 1 0.928 0.02 . 1 . . . . 17 Val HG13 . 25773 1 198 . 1 1 17 17 VAL HG21 H 1 0.929 0.02 . 1 . . . . 17 Val HG21 . 25773 1 199 . 1 1 17 17 VAL HG22 H 1 0.929 0.02 . 1 . . . . 17 Val HG22 . 25773 1 200 . 1 1 17 17 VAL HG23 H 1 0.929 0.02 . 1 . . . . 17 Val HG23 . 25773 1 201 . 1 1 17 17 VAL C C 13 174.688 0.2 . 1 . . . . 17 Val C . 25773 1 202 . 1 1 17 17 VAL CA C 13 59.964 0.2 . 1 . . . . 17 Val CA . 25773 1 203 . 1 1 17 17 VAL CB C 13 32.708 0.2 . 1 . . . . 17 Val CB . 25773 1 204 . 1 1 17 17 VAL CG1 C 13 20.403 0.2 . 1 . . . . 17 Val CG1 . 25773 1 205 . 1 1 17 17 VAL CG2 C 13 21.158 0.2 . 1 . . . . 17 Val CG2 . 25773 1 206 . 1 1 17 17 VAL N N 15 123.561 0.2 . 1 . . . . 17 Val N . 25773 1 207 . 1 1 18 18 PRO HA H 1 4.372 0.02 . 1 . . . . 18 Pro HA . 25773 1 208 . 1 1 18 18 PRO HB2 H 1 2.247 0.02 . 1 . . . . 18 Pro HB1 . 25773 1 209 . 1 1 18 18 PRO HB3 H 1 1.823 0.02 . 1 . . . . 18 Pro HB2 . 25773 1 210 . 1 1 18 18 PRO HG2 H 1 1.975 0.02 . 1 . . . . 18 Pro HG1 . 25773 1 211 . 1 1 18 18 PRO HG3 H 1 1.970 0.02 . 1 . . . . 18 Pro HG2 . 25773 1 212 . 1 1 18 18 PRO HD2 H 1 3.660 0.02 . 1 . . . . 18 Pro HD1 . 25773 1 213 . 1 1 18 18 PRO HD3 H 1 3.879 0.02 . 1 . . . . 18 Pro HD2 . 25773 1 214 . 1 1 18 18 PRO C C 13 176.565 0.2 . 1 . . . . 18 Pro C . 25773 1 215 . 1 1 18 18 PRO CA C 13 63.135 0.2 . 1 . . . . 18 Pro CA . 25773 1 216 . 1 1 18 18 PRO CB C 13 32.140 0.2 . 1 . . . . 18 Pro CB . 25773 1 217 . 1 1 18 18 PRO CG C 13 27.441 0.2 . 1 . . . . 18 Pro CG . 25773 1 218 . 1 1 18 18 PRO CD C 13 51.022 0.2 . 1 . . . . 18 Pro CD . 25773 1 219 . 1 1 19 19 PHE H H 1 8.431 0.02 . 1 . . . . 19 Phe HN . 25773 1 220 . 1 1 19 19 PHE HA H 1 4.561 0.02 . 1 . . . . 19 Phe HA . 25773 1 221 . 1 1 19 19 PHE HB2 H 1 3.044 0.02 . 1 . . . . 19 Phe HB1 . 25773 1 222 . 1 1 19 19 PHE HB3 H 1 3.124 0.02 . 1 . . . . 19 Phe HB2 . 25773 1 223 . 1 1 19 19 PHE HD1 H 1 7.274 0.02 . 1 . . . . 19 Phe HD# . 25773 1 224 . 1 1 19 19 PHE HD2 H 1 7.274 0.02 . 1 . . . . 19 Phe HD# . 25773 1 225 . 1 1 19 19 PHE HE1 H 1 7.342 0.02 . 1 . . . . 19 Phe HE# . 25773 1 226 . 1 1 19 19 PHE HE2 H 1 7.342 0.02 . 1 . . . . 19 Phe HE# . 25773 1 227 . 1 1 19 19 PHE HZ H 1 7.302 0.02 . 1 . . . . 19 Phe HZ . 25773 1 228 . 1 1 19 19 PHE C C 13 175.636 0.2 . 1 . . . . 19 Phe C . 25773 1 229 . 1 1 19 19 PHE CA C 13 58.024 0.2 . 1 . . . . 19 Phe CA . 25773 1 230 . 1 1 19 19 PHE CB C 13 39.539 0.2 . 1 . . . . 19 Phe CB . 25773 1 231 . 1 1 19 19 PHE CD1 C 13 132.014 0.2 . 1 . . . . 19 Phe CD* . 25773 1 232 . 1 1 19 19 PHE CD2 C 13 132.014 0.2 . 1 . . . . 19 Phe CD* . 25773 1 233 . 1 1 19 19 PHE CE1 C 13 131.966 0.2 . 1 . . . . 19 Phe CE* . 25773 1 234 . 1 1 19 19 PHE CE2 C 13 131.966 0.2 . 1 . . . . 19 Phe CE* . 25773 1 235 . 1 1 19 19 PHE CZ C 13 130.035 0.2 . 1 . . . . 19 Phe CZ . 25773 1 236 . 1 1 19 19 PHE N N 15 121.342 0.2 . 1 . . . . 19 Phe N . 25773 1 237 . 1 1 20 20 ASN H H 1 8.427 0.02 . 1 . . . . 20 Asn HN . 25773 1 238 . 1 1 20 20 ASN HA H 1 4.619 0.02 . 1 . . . . 20 Asn HA . 25773 1 239 . 1 1 20 20 ASN HB2 H 1 2.705 0.02 . 1 . . . . 20 Asn HB1 . 25773 1 240 . 1 1 20 20 ASN HB3 H 1 2.751 0.02 . 1 . . . . 20 Asn HB2 . 25773 1 241 . 1 1 20 20 ASN HD21 H 1 7.650 0.02 . 1 . . . . 20 Asn HD21 . 25773 1 242 . 1 1 20 20 ASN HD22 H 1 6.893 0.02 . 1 . . . . 20 Asn HD22 . 25773 1 243 . 1 1 20 20 ASN C C 13 175.331 0.2 . 1 . . . . 20 Asn C . 25773 1 244 . 1 1 20 20 ASN CA C 13 52.888 0.2 . 1 . . . . 20 Asn CA . 25773 1 245 . 1 1 20 20 ASN CB C 13 38.885 0.2 . 1 . . . . 20 Asn CB . 25773 1 246 . 1 1 20 20 ASN CG C 13 178.237 0.2 . 1 . . . . 20 Asn CG . 25773 1 247 . 1 1 20 20 ASN N N 15 122.108 0.2 . 1 . . . . 20 Asn N . 25773 1 248 . 1 1 20 20 ASN ND2 N 15 113.548 0.2 . 1 . . . . 20 Asn ND2 . 25773 1 249 . 1 1 21 21 GLY H H 1 7.671 0.02 . 1 . . . . 21 Gly HN . 25773 1 250 . 1 1 21 21 GLY HA2 H 1 3.835 0.02 . 1 . . . . 21 Gly HA1 . 25773 1 251 . 1 1 21 21 GLY HA3 H 1 3.833 0.02 . 1 . . . . 21 Gly HA2 . 25773 1 252 . 1 1 21 21 GLY C C 13 173.884 0.2 . 1 . . . . 21 Gly C . 25773 1 253 . 1 1 21 21 GLY CA C 13 45.557 0.2 . 1 . . . . 21 Gly CA . 25773 1 254 . 1 1 21 21 GLY N N 15 108.664 0.2 . 1 . . . . 21 Gly N . 25773 1 255 . 1 1 22 22 GLN H H 1 8.141 0.02 . 1 . . . . 22 Gln HN . 25773 1 256 . 1 1 22 22 GLN HA H 1 4.327 0.02 . 1 . . . . 22 Gln HA . 25773 1 257 . 1 1 22 22 GLN HB2 H 1 2.062 0.02 . 1 . . . . 22 Gln HB1 . 25773 1 258 . 1 1 22 22 GLN HB3 H 1 1.914 0.02 . 1 . . . . 22 Gln HB2 . 25773 1 259 . 1 1 22 22 GLN HG2 H 1 2.274 0.02 . 1 . . . . 22 Gln HG1 . 25773 1 260 . 1 1 22 22 GLN HE21 H 1 7.569 0.02 . 1 . . . . 22 Gln HE21 . 25773 1 261 . 1 1 22 22 GLN HE22 H 1 6.890 0.02 . 1 . . . . 22 Gln HE22 . 25773 1 262 . 1 1 22 22 GLN C C 13 175.513 0.2 . 1 . . . . 22 Gln C . 25773 1 263 . 1 1 22 22 GLN CA C 13 55.440 0.2 . 1 . . . . 22 Gln CA . 25773 1 264 . 1 1 22 22 GLN CB C 13 29.694 0.2 . 1 . . . . 22 Gln CB . 25773 1 265 . 1 1 22 22 GLN CG C 13 33.993 0.2 . 1 . . . . 22 Gln CG . 25773 1 266 . 1 1 22 22 GLN N N 15 119.358 0.2 . 1 . . . . 22 Gln N . 25773 1 267 . 1 1 22 22 GLN NE2 N 15 112.855 0.2 . 1 . . . . 22 Gln NE2 . 25773 1 268 . 1 1 23 23 ASP H H 1 8.430 0.02 . 1 . . . . 23 Asp HN . 25773 1 269 . 1 1 23 23 ASP HA H 1 4.802 0.02 . 1 . . . . 23 Asp HA . 25773 1 270 . 1 1 23 23 ASP HB2 H 1 2.511 0.02 . 1 . . . . 23 Asp HB1 . 25773 1 271 . 1 1 23 23 ASP HB3 H 1 2.704 0.02 . 1 . . . . 23 Asp HB2 . 25773 1 272 . 1 1 23 23 ASP C C 13 174.972 0.2 . 1 . . . . 23 Asp C . 25773 1 273 . 1 1 23 23 ASP CA C 13 52.619 0.2 . 1 . . . . 23 Asp CA . 25773 1 274 . 1 1 23 23 ASP CB C 13 40.923 0.2 . 1 . . . . 23 Asp CB . 25773 1 275 . 1 1 23 23 ASP N N 15 123.560 0.2 . 1 . . . . 23 Asp N . 25773 1 276 . 1 1 24 24 PRO HA H 1 4.448 0.02 . 1 . . . . 24 Pro HA . 25773 1 277 . 1 1 24 24 PRO HB2 H 1 1.897 0.02 . 1 . . . . 24 Pro HB1 . 25773 1 278 . 1 1 24 24 PRO HB3 H 1 2.239 0.02 . 1 . . . . 24 Pro HB2 . 25773 1 279 . 1 1 24 24 PRO HG2 H 1 2.010 0.02 . 1 . . . . 24 Pro HG1 . 25773 1 280 . 1 1 24 24 PRO HG3 H 1 2.010 0.02 . 1 . . . . 24 Pro HG2 . 25773 1 281 . 1 1 24 24 PRO HD2 H 1 3.289 0.02 . 1 . . . . 24 Pro HD1 . 25773 1 282 . 1 1 24 24 PRO HD3 H 1 3.289 0.02 . 1 . . . . 24 Pro HD2 . 25773 1 283 . 1 1 24 24 PRO C C 13 177.196 0.2 . 1 . . . . 24 Pro C . 25773 1 284 . 1 1 24 24 PRO CA C 13 62.921 0.2 . 1 . . . . 24 Pro CA . 25773 1 285 . 1 1 24 24 PRO CB C 13 32.266 0.2 . 1 . . . . 24 Pro CB . 25773 1 286 . 1 1 24 24 PRO CG C 13 27.475 0.2 . 1 . . . . 24 Pro CG . 25773 1 287 . 1 1 24 24 PRO CD C 13 50.982 0.2 . 1 . . . . 24 Pro CD . 25773 1 288 . 1 1 25 25 VAL H H 1 8.260 0.02 . 1 . . . . 25 Val HN . 25773 1 289 . 1 1 25 25 VAL HA H 1 4.010 0.02 . 1 . . . . 25 Val HA . 25773 1 290 . 1 1 25 25 VAL HB H 1 2.058 0.02 . 1 . . . . 25 Val HB . 25773 1 291 . 1 1 25 25 VAL HG11 H 1 0.919 0.02 . 1 . . . . 25 Val HG11 . 25773 1 292 . 1 1 25 25 VAL HG12 H 1 0.919 0.02 . 1 . . . . 25 Val HG12 . 25773 1 293 . 1 1 25 25 VAL HG13 H 1 0.919 0.02 . 1 . . . . 25 Val HG13 . 25773 1 294 . 1 1 25 25 VAL HG21 H 1 0.919 0.02 . 1 . . . . 25 Val HG21 . 25773 1 295 . 1 1 25 25 VAL HG22 H 1 0.919 0.02 . 1 . . . . 25 Val HG22 . 25773 1 296 . 1 1 25 25 VAL HG23 H 1 0.919 0.02 . 1 . . . . 25 Val HG23 . 25773 1 297 . 1 1 25 25 VAL C C 13 176.479 0.2 . 1 . . . . 25 Val C . 25773 1 298 . 1 1 25 25 VAL CA C 13 63.050 0.2 . 1 . . . . 25 Val CA . 25773 1 299 . 1 1 25 25 VAL CB C 13 32.303 0.2 . 1 . . . . 25 Val CB . 25773 1 300 . 1 1 25 25 VAL CG1 C 13 21.552 0.2 . 1 . . . . 25 Val CG1 . 25773 1 301 . 1 1 25 25 VAL CG2 C 13 21.137 0.2 . 1 . . . . 25 Val CG2 . 25773 1 302 . 1 1 25 25 VAL N N 15 120.492 0.2 . 1 . . . . 25 Val N . 25773 1 303 . 1 1 26 26 LYS H H 1 8.324 0.02 . 1 . . . . 26 Lys HN . 25773 1 304 . 1 1 26 26 LYS HA H 1 4.277 0.02 . 1 . . . . 26 Lys HA . 25773 1 305 . 1 1 26 26 LYS HB2 H 1 1.813 0.02 . 1 . . . . 26 Lys HB1 . 25773 1 306 . 1 1 26 26 LYS HB3 H 1 1.757 0.02 . 1 . . . . 26 Lys HB2 . 25773 1 307 . 1 1 26 26 LYS HG2 H 1 1.439 0.02 . 1 . . . . 26 Lys HG1 . 25773 1 308 . 1 1 26 26 LYS HG3 H 1 1.430 0.02 . 1 . . . . 26 Lys HG2 . 25773 1 309 . 1 1 26 26 LYS HD2 H 1 1.675 0.02 . 1 . . . . 26 Lys HD1 . 25773 1 310 . 1 1 26 26 LYS HD3 H 1 1.676 0.02 . 1 . . . . 26 Lys HD2 . 25773 1 311 . 1 1 26 26 LYS HE2 H 1 2.986 0.02 . 1 . . . . 26 Lys HE1 . 25773 1 312 . 1 1 26 26 LYS HE3 H 1 2.987 0.02 . 1 . . . . 26 Lys HE2 . 25773 1 313 . 1 1 26 26 LYS C C 13 177.268 0.2 . 1 . . . . 26 Lys C . 25773 1 314 . 1 1 26 26 LYS CA C 13 56.603 0.2 . 1 . . . . 26 Lys CA . 25773 1 315 . 1 1 26 26 LYS CB C 13 32.936 0.2 . 1 . . . . 26 Lys CB . 25773 1 316 . 1 1 26 26 LYS CG C 13 24.761 0.2 . 1 . . . . 26 Lys CG . 25773 1 317 . 1 1 26 26 LYS CD C 13 29.108 0.2 . 1 . . . . 26 Lys CD . 25773 1 318 . 1 1 26 26 LYS CE C 13 42.181 0.2 . 1 . . . . 26 Lys CE . 25773 1 319 . 1 1 26 26 LYS N N 15 124.708 0.2 . 1 . . . . 26 Lys N . 25773 1 320 . 1 1 27 27 GLY H H 1 8.425 0.02 . 1 . . . . 27 Gly HN . 25773 1 321 . 1 1 27 27 GLY HA2 H 1 3.928 0.02 . 1 . . . . 27 Gly HA1 . 25773 1 322 . 1 1 27 27 GLY HA3 H 1 3.929 0.02 . 1 . . . . 27 Gly HA2 . 25773 1 323 . 1 1 27 27 GLY C C 13 173.992 0.2 . 1 . . . . 27 Gly C . 25773 1 324 . 1 1 27 27 GLY CA C 13 45.246 0.2 . 1 . . . . 27 Gly CA . 25773 1 325 . 1 1 27 27 GLY N N 15 110.141 0.2 . 1 . . . . 27 Gly N . 25773 1 326 . 1 1 28 28 GLN H H 1 8.226 0.02 . 1 . . . . 28 Gln HN . 25773 1 327 . 1 1 28 28 GLN HA H 1 4.360 0.02 . 1 . . . . 28 Gln HA . 25773 1 328 . 1 1 28 28 GLN HB2 H 1 1.956 0.02 . 1 . . . . 28 Gln HB1 . 25773 1 329 . 1 1 28 28 GLN HB3 H 1 2.049 0.02 . 1 . . . . 28 Gln HB2 . 25773 1 330 . 1 1 28 28 GLN HG2 H 1 2.319 0.02 . 1 . . . . 28 Gln HG1 . 25773 1 331 . 1 1 28 28 GLN HG3 H 1 2.319 0.02 . 1 . . . . 28 Gln HG2 . 25773 1 332 . 1 1 28 28 GLN HE21 H 1 6.894 0.02 . 1 . . . . 28 Gln HE21 . 25773 1 333 . 1 1 28 28 GLN HE22 H 1 7.594 0.02 . 1 . . . . 28 Gln HE22 . 25773 1 334 . 1 1 28 28 GLN C C 13 176.178 0.2 . 1 . . . . 28 Gln C . 25773 1 335 . 1 1 28 28 GLN CA C 13 55.763 0.2 . 1 . . . . 28 Gln CA . 25773 1 336 . 1 1 28 28 GLN CB C 13 29.596 0.2 . 1 . . . . 28 Gln CB . 25773 1 337 . 1 1 28 28 GLN CG C 13 34.031 0.2 . 1 . . . . 28 Gln CG . 25773 1 338 . 1 1 28 28 GLN N N 15 120.060 0.2 . 1 . . . . 28 Gln N . 25773 1 339 . 1 1 28 28 GLN NE2 N 15 112.855 0.2 . 1 . . . . 28 Gln NE2 . 25773 1 340 . 1 1 29 29 VAL H H 1 8.309 0.02 . 1 . . . . 29 Val HN . 25773 1 341 . 1 1 29 29 VAL HA H 1 4.140 0.02 . 1 . . . . 29 Val HA . 25773 1 342 . 1 1 29 29 VAL HB H 1 2.057 0.02 . 1 . . . . 29 Val HB . 25773 1 343 . 1 1 29 29 VAL HG11 H 1 0.929 0.02 . 1 . . . . 29 Val HG11 . 25773 1 344 . 1 1 29 29 VAL HG12 H 1 0.929 0.02 . 1 . . . . 29 Val HG12 . 25773 1 345 . 1 1 29 29 VAL HG13 H 1 0.929 0.02 . 1 . . . . 29 Val HG13 . 25773 1 346 . 1 1 29 29 VAL HG21 H 1 0.917 0.02 . 1 . . . . 29 Val HG21 . 25773 1 347 . 1 1 29 29 VAL HG22 H 1 0.917 0.02 . 1 . . . . 29 Val HG22 . 25773 1 348 . 1 1 29 29 VAL HG23 H 1 0.917 0.02 . 1 . . . . 29 Val HG23 . 25773 1 349 . 1 1 29 29 VAL C C 13 176.247 0.2 . 1 . . . . 29 Val C . 25773 1 350 . 1 1 29 29 VAL CA C 13 62.275 0.2 . 1 . . . . 29 Val CA . 25773 1 351 . 1 1 29 29 VAL CB C 13 32.787 0.2 . 1 . . . . 29 Val CB . 25773 1 352 . 1 1 29 29 VAL CG1 C 13 21.079 0.2 . 1 . . . . 29 Val CG1 . 25773 1 353 . 1 1 29 29 VAL CG2 C 13 21.079 0.2 . 1 . . . . 29 Val CG2 . 25773 1 354 . 1 1 29 29 VAL N N 15 121.969 0.2 . 1 . . . . 29 Val N . 25773 1 355 . 1 1 30 30 SER H H 1 8.496 0.02 . 1 . . . . 30 Ser HN . 25773 1 356 . 1 1 30 30 SER HA H 1 4.509 0.02 . 1 . . . . 30 Ser HA . 25773 1 357 . 1 1 30 30 SER HB2 H 1 3.838 0.02 . 1 . . . . 30 Ser HB1 . 25773 1 358 . 1 1 30 30 SER HB3 H 1 3.819 0.02 . 1 . . . . 30 Ser HB2 . 25773 1 359 . 1 1 30 30 SER C C 13 174.484 0.2 . 1 . . . . 30 Ser C . 25773 1 360 . 1 1 30 30 SER CA C 13 58.074 0.2 . 1 . . . . 30 Ser CA . 25773 1 361 . 1 1 30 30 SER CB C 13 63.818 0.2 . 1 . . . . 30 Ser CB . 25773 1 362 . 1 1 30 30 SER N N 15 120.206 0.2 . 1 . . . . 30 Ser N . 25773 1 363 . 1 1 31 31 VAL H H 1 8.323 0.02 . 1 . . . . 31 Val HN . 25773 1 364 . 1 1 31 31 VAL HA H 1 4.136 0.02 . 1 . . . . 31 Val HA . 25773 1 365 . 1 1 31 31 VAL HB H 1 2.061 0.02 . 1 . . . . 31 Val HB . 25773 1 366 . 1 1 31 31 VAL HG11 H 1 0.919 0.02 . 1 . . . . 31 Val HG11 . 25773 1 367 . 1 1 31 31 VAL HG12 H 1 0.919 0.02 . 1 . . . . 31 Val HG12 . 25773 1 368 . 1 1 31 31 VAL HG13 H 1 0.919 0.02 . 1 . . . . 31 Val HG13 . 25773 1 369 . 1 1 31 31 VAL HG21 H 1 0.919 0.02 . 1 . . . . 31 Val HG21 . 25773 1 370 . 1 1 31 31 VAL HG22 H 1 0.919 0.02 . 1 . . . . 31 Val HG22 . 25773 1 371 . 1 1 31 31 VAL HG23 H 1 0.919 0.02 . 1 . . . . 31 Val HG23 . 25773 1 372 . 1 1 31 31 VAL C C 13 176.382 0.2 . 1 . . . . 31 Val C . 25773 1 373 . 1 1 31 31 VAL CA C 13 62.310 0.2 . 1 . . . . 31 Val CA . 25773 1 374 . 1 1 31 31 VAL CB C 13 32.713 0.2 . 1 . . . . 31 Val CB . 25773 1 375 . 1 1 31 31 VAL CG1 C 13 20.382 0.2 . 1 . . . . 31 Val CG1 . 25773 1 376 . 1 1 31 31 VAL CG2 C 13 21.167 0.2 . 1 . . . . 31 Val CG2 . 25773 1 377 . 1 1 31 31 VAL N N 15 122.757 0.2 . 1 . . . . 31 Val N . 25773 1 378 . 1 1 32 32 LYS H H 1 8.473 0.02 . 1 . . . . 32 Lys HN . 25773 1 379 . 1 1 32 32 LYS HA H 1 4.269 0.02 . 1 . . . . 32 Lys HA . 25773 1 380 . 1 1 32 32 LYS HB2 H 1 1.787 0.02 . 1 . . . . 32 Lys HB1 . 25773 1 381 . 1 1 32 32 LYS HB3 H 1 1.787 0.02 . 1 . . . . 32 Lys HB2 . 25773 1 382 . 1 1 32 32 LYS HG2 H 1 1.437 0.02 . 1 . . . . 32 Lys HG1 . 25773 1 383 . 1 1 32 32 LYS HG3 H 1 1.437 0.02 . 1 . . . . 32 Lys HG2 . 25773 1 384 . 1 1 32 32 LYS HD2 H 1 1.670 0.02 . 1 . . . . 32 Lys HD1 . 25773 1 385 . 1 1 32 32 LYS HD3 H 1 1.670 0.02 . 1 . . . . 32 Lys HD2 . 25773 1 386 . 1 1 32 32 LYS HE2 H 1 2.972 0.02 . 1 . . . . 32 Lys HE1 . 25773 1 387 . 1 1 32 32 LYS HE3 H 1 2.972 0.02 . 1 . . . . 32 Lys HE2 . 25773 1 388 . 1 1 32 32 LYS C C 13 177.150 0.2 . 1 . . . . 32 Lys C . 25773 1 389 . 1 1 32 32 LYS CA C 13 56.662 0.2 . 1 . . . . 32 Lys CA . 25773 1 390 . 1 1 32 32 LYS CB C 13 32.847 0.2 . 1 . . . . 32 Lys CB . 25773 1 391 . 1 1 32 32 LYS CG C 13 25.144 0.2 . 1 . . . . 32 Lys CG . 25773 1 392 . 1 1 32 32 LYS CD C 13 29.377 0.2 . 1 . . . . 32 Lys CD . 25773 1 393 . 1 1 32 32 LYS CE C 13 42.239 0.2 . 1 . . . . 32 Lys CE . 25773 1 394 . 1 1 32 32 LYS N N 15 125.446 0.2 . 1 . . . . 32 Lys N . 25773 1 395 . 1 1 33 33 GLY H H 1 8.431 0.02 . 1 . . . . 33 Gly HN . 25773 1 396 . 1 1 33 33 GLY HA2 H 1 3.938 0.02 . 1 . . . . 33 Gly HA1 . 25773 1 397 . 1 1 33 33 GLY HA3 H 1 3.938 0.02 . 1 . . . . 33 Gly HA2 . 25773 1 398 . 1 1 33 33 GLY C C 13 174.175 0.2 . 1 . . . . 33 Gly C . 25773 1 399 . 1 1 33 33 GLY CA C 13 45.059 0.2 . 1 . . . . 33 Gly CA . 25773 1 400 . 1 1 33 33 GLY N N 15 110.161 0.2 . 1 . . . . 33 Gly N . 25773 1 401 . 1 1 34 34 GLN H H 1 8.344 0.02 . 1 . . . . 34 Gln HN . 25773 1 402 . 1 1 34 34 GLN HA H 1 4.326 0.02 . 1 . . . . 34 Gln HA . 25773 1 403 . 1 1 34 34 GLN HB2 H 1 2.111 0.02 . 1 . . . . 34 Gln HB1 . 25773 1 404 . 1 1 34 34 GLN HB3 H 1 1.955 0.02 . 1 . . . . 34 Gln HB2 . 25773 1 405 . 1 1 34 34 GLN HG2 H 1 2.385 0.02 . 1 . . . . 34 Gln HG1 . 25773 1 406 . 1 1 34 34 GLN HG3 H 1 2.314 0.02 . 1 . . . . 34 Gln HG2 . 25773 1 407 . 1 1 34 34 GLN HE21 H 1 7.575 0.02 . 1 . . . . 34 Gln HE21 . 25773 1 408 . 1 1 34 34 GLN HE22 H 1 6.894 0.02 . 1 . . . . 34 Gln HE22 . 25773 1 409 . 1 1 34 34 GLN C C 13 175.933 0.2 . 1 . . . . 34 Gln C . 25773 1 410 . 1 1 34 34 GLN CA C 13 55.814 0.2 . 1 . . . . 34 Gln CA . 25773 1 411 . 1 1 34 34 GLN CB C 13 29.312 0.2 . 1 . . . . 34 Gln CB . 25773 1 412 . 1 1 34 34 GLN CG C 13 33.993 0.2 . 1 . . . . 34 Gln CG . 25773 1 413 . 1 1 34 34 GLN N N 15 119.884 0.2 . 1 . . . . 34 Gln N . 25773 1 414 . 1 1 34 34 GLN NE2 N 15 112.855 0.2 . 1 . . . . 34 Gln NE2 . 25773 1 415 . 1 1 35 35 ASP H H 1 8.498 0.02 . 1 . . . . 35 Asp HN . 25773 1 416 . 1 1 35 35 ASP HA H 1 4.549 0.02 . 1 . . . . 35 Asp HA . 25773 1 417 . 1 1 35 35 ASP HB2 H 1 2.651 0.02 . 1 . . . . 35 Asp HB1 . 25773 1 418 . 1 1 35 35 ASP HB3 H 1 2.605 0.02 . 1 . . . . 35 Asp HB2 . 25773 1 419 . 1 1 35 35 ASP C C 13 176.415 0.2 . 1 . . . . 35 Asp C . 25773 1 420 . 1 1 35 35 ASP CA C 13 54.484 0.2 . 1 . . . . 35 Asp CA . 25773 1 421 . 1 1 35 35 ASP CB C 13 40.797 0.2 . 1 . . . . 35 Asp CB . 25773 1 422 . 1 1 35 35 ASP N N 15 121.551 0.2 . 1 . . . . 35 Asp N . 25773 1 423 . 1 1 36 36 LYS H H 1 8.268 0.02 . 1 . . . . 36 Lys HN . 25773 1 424 . 1 1 36 36 LYS HA H 1 4.286 0.02 . 1 . . . . 36 Lys HA . 25773 1 425 . 1 1 36 36 LYS HB2 H 1 1.758 0.02 . 1 . . . . 36 Lys HB1 . 25773 1 426 . 1 1 36 36 LYS HB3 H 1 1.760 0.02 . 1 . . . . 36 Lys HB2 . 25773 1 427 . 1 1 36 36 LYS HG2 H 1 1.431 0.02 . 1 . . . . 36 Lys HG1 . 25773 1 428 . 1 1 36 36 LYS HG3 H 1 1.430 0.02 . 1 . . . . 36 Lys HG2 . 25773 1 429 . 1 1 36 36 LYS HD2 H 1 1.672 0.02 . 1 . . . . 36 Lys HD1 . 25773 1 430 . 1 1 36 36 LYS HD3 H 1 1.672 0.02 . 1 . . . . 36 Lys HD2 . 25773 1 431 . 1 1 36 36 LYS HE2 H 1 2.985 0.02 . 1 . . . . 36 Lys HE1 . 25773 1 432 . 1 1 36 36 LYS HE3 H 1 2.985 0.02 . 1 . . . . 36 Lys HE2 . 25773 1 433 . 1 1 36 36 LYS C C 13 176.640 0.2 . 1 . . . . 36 Lys C . 25773 1 434 . 1 1 36 36 LYS CA C 13 56.350 0.2 . 1 . . . . 36 Lys CA . 25773 1 435 . 1 1 36 36 LYS CB C 13 32.944 0.2 . 1 . . . . 36 Lys CB . 25773 1 436 . 1 1 36 36 LYS CG C 13 24.886 0.2 . 1 . . . . 36 Lys CG . 25773 1 437 . 1 1 36 36 LYS CD C 13 29.143 0.2 . 1 . . . . 36 Lys CD . 25773 1 438 . 1 1 36 36 LYS CE C 13 42.219 0.2 . 1 . . . . 36 Lys CE . 25773 1 439 . 1 1 36 36 LYS N N 15 121.457 0.2 . 1 . . . . 36 Lys N . 25773 1 440 . 1 1 37 37 VAL H H 1 8.142 0.02 . 1 . . . . 37 Val HN . 25773 1 441 . 1 1 37 37 VAL HA H 1 4.020 0.02 . 1 . . . . 37 Val HA . 25773 1 442 . 1 1 37 37 VAL HB H 1 2.035 0.02 . 1 . . . . 37 Val HB . 25773 1 443 . 1 1 37 37 VAL HG11 H 1 0.920 0.02 . 1 . . . . 37 Val HG11 . 25773 1 444 . 1 1 37 37 VAL HG12 H 1 0.920 0.02 . 1 . . . . 37 Val HG12 . 25773 1 445 . 1 1 37 37 VAL HG13 H 1 0.920 0.02 . 1 . . . . 37 Val HG13 . 25773 1 446 . 1 1 37 37 VAL HG21 H 1 0.920 0.02 . 1 . . . . 37 Val HG21 . 25773 1 447 . 1 1 37 37 VAL HG22 H 1 0.920 0.02 . 1 . . . . 37 Val HG22 . 25773 1 448 . 1 1 37 37 VAL HG23 H 1 0.920 0.02 . 1 . . . . 37 Val HG23 . 25773 1 449 . 1 1 37 37 VAL C C 13 176.219 0.2 . 1 . . . . 37 Val C . 25773 1 450 . 1 1 37 37 VAL CA C 13 62.529 0.2 . 1 . . . . 37 Val CA . 25773 1 451 . 1 1 37 37 VAL CB C 13 32.664 0.2 . 1 . . . . 37 Val CB . 25773 1 452 . 1 1 37 37 VAL CG1 C 13 21.208 0.2 . 1 . . . . 37 Val CG1 . 25773 1 453 . 1 1 37 37 VAL CG2 C 13 21.208 0.2 . 1 . . . . 37 Val CG2 . 25773 1 454 . 1 1 37 37 VAL N N 15 121.657 0.2 . 1 . . . . 37 Val N . 25773 1 455 . 1 1 38 38 LYS H H 1 8.420 0.02 . 1 . . . . 38 Lys HN . 25773 1 456 . 1 1 38 38 LYS HA H 1 4.268 0.02 . 1 . . . . 38 Lys HA . 25773 1 457 . 1 1 38 38 LYS HB2 H 1 1.797 0.02 . 1 . . . . 38 Lys HB1 . 25773 1 458 . 1 1 38 38 LYS HB3 H 1 1.795 0.02 . 1 . . . . 38 Lys HB2 . 25773 1 459 . 1 1 38 38 LYS HG2 H 1 1.437 0.02 . 1 . . . . 38 Lys HG1 . 25773 1 460 . 1 1 38 38 LYS HG3 H 1 1.437 0.02 . 1 . . . . 38 Lys HG2 . 25773 1 461 . 1 1 38 38 LYS HD2 H 1 1.655 0.02 . 1 . . . . 38 Lys HD1 . 25773 1 462 . 1 1 38 38 LYS HD3 H 1 1.655 0.02 . 1 . . . . 38 Lys HD2 . 25773 1 463 . 1 1 38 38 LYS HE2 H 1 2.995 0.02 . 1 . . . . 38 Lys HE1 . 25773 1 464 . 1 1 38 38 LYS HE3 H 1 2.995 0.02 . 1 . . . . 38 Lys HE2 . 25773 1 465 . 1 1 38 38 LYS C C 13 176.343 0.2 . 1 . . . . 38 Lys C . 25773 1 466 . 1 1 38 38 LYS CA C 13 56.265 0.2 . 1 . . . . 38 Lys CA . 25773 1 467 . 1 1 38 38 LYS CB C 13 33.009 0.2 . 1 . . . . 38 Lys CB . 25773 1 468 . 1 1 38 38 LYS CG C 13 24.894 0.2 . 1 . . . . 38 Lys CG . 25773 1 469 . 1 1 38 38 LYS CD C 13 29.268 0.2 . 1 . . . . 38 Lys CD . 25773 1 470 . 1 1 38 38 LYS CE C 13 42.334 0.2 . 1 . . . . 38 Lys CE . 25773 1 471 . 1 1 38 38 LYS N N 15 125.949 0.2 . 1 . . . . 38 Lys N . 25773 1 472 . 1 1 39 39 ALA H H 1 8.394 0.02 . 1 . . . . 39 Ala HN . 25773 1 473 . 1 1 39 39 ALA HA H 1 4.265 0.02 . 1 . . . . 39 Ala HA . 25773 1 474 . 1 1 39 39 ALA HB1 H 1 1.369 0.02 . 1 . . . . 39 Ala HB1 . 25773 1 475 . 1 1 39 39 ALA HB2 H 1 1.369 0.02 . 1 . . . . 39 Ala HB2 . 25773 1 476 . 1 1 39 39 ALA HB3 H 1 1.369 0.02 . 1 . . . . 39 Ala HB3 . 25773 1 477 . 1 1 39 39 ALA C C 13 177.624 0.2 . 1 . . . . 39 Ala C . 25773 1 478 . 1 1 39 39 ALA CA C 13 52.527 0.2 . 1 . . . . 39 Ala CA . 25773 1 479 . 1 1 39 39 ALA CB C 13 19.262 0.2 . 1 . . . . 39 Ala CB . 25773 1 480 . 1 1 39 39 ALA N N 15 126.104 0.2 . 1 . . . . 39 Ala N . 25773 1 481 . 1 1 40 40 GLN H H 1 8.412 0.02 . 1 . . . . 40 Gln HN . 25773 1 482 . 1 1 40 40 GLN HA H 1 4.270 0.02 . 1 . . . . 40 Gln HA . 25773 1 483 . 1 1 40 40 GLN HB2 H 1 1.939 0.02 . 1 . . . . 40 Gln HB1 . 25773 1 484 . 1 1 40 40 GLN HB3 H 1 2.062 0.02 . 1 . . . . 40 Gln HB2 . 25773 1 485 . 1 1 40 40 GLN HG2 H 1 2.355 0.02 . 1 . . . . 40 Gln HG1 . 25773 1 486 . 1 1 40 40 GLN HG3 H 1 2.355 0.02 . 1 . . . . 40 Gln HG2 . 25773 1 487 . 1 1 40 40 GLN HE21 H 1 7.600 0.02 . 1 . . . . 40 Gln HE21 . 25773 1 488 . 1 1 40 40 GLN HE22 H 1 6.913 0.02 . 1 . . . . 40 Gln HE22 . 25773 1 489 . 1 1 40 40 GLN C C 13 175.931 0.2 . 1 . . . . 40 Gln C . 25773 1 490 . 1 1 40 40 GLN CA C 13 55.678 0.2 . 1 . . . . 40 Gln CA . 25773 1 491 . 1 1 40 40 GLN CB C 13 29.671 0.2 . 1 . . . . 40 Gln CB . 25773 1 492 . 1 1 40 40 GLN CG C 13 34.015 0.2 . 1 . . . . 40 Gln CG . 25773 1 493 . 1 1 40 40 GLN N N 15 120.068 0.2 . 1 . . . . 40 Gln N . 25773 1 494 . 1 1 40 40 GLN NE2 N 15 112.855 0.2 . 1 . . . . 40 Gln NE2 . 25773 1 495 . 1 1 41 41 GLU H H 1 8.491 0.02 . 1 . . . . 41 Glu HN . 25773 1 496 . 1 1 41 41 GLU HA H 1 4.552 0.02 . 1 . . . . 41 Glu HA . 25773 1 497 . 1 1 41 41 GLU HB2 H 1 1.881 0.02 . 1 . . . . 41 Glu HB1 . 25773 1 498 . 1 1 41 41 GLU HB3 H 1 2.025 0.02 . 1 . . . . 41 Glu HB2 . 25773 1 499 . 1 1 41 41 GLU HG2 H 1 2.297 0.02 . 1 . . . . 41 Glu HG1 . 25773 1 500 . 1 1 41 41 GLU HG3 H 1 2.297 0.02 . 1 . . . . 41 Glu HG2 . 25773 1 501 . 1 1 41 41 GLU C C 13 174.667 0.2 . 1 . . . . 41 Glu C . 25773 1 502 . 1 1 41 41 GLU CA C 13 54.392 0.2 . 1 . . . . 41 Glu CA . 25773 1 503 . 1 1 41 41 GLU CB C 13 29.514 0.2 . 1 . . . . 41 Glu CB . 25773 1 504 . 1 1 41 41 GLU CG C 13 35.931 0.2 . 1 . . . . 41 Glu CG . 25773 1 505 . 1 1 41 41 GLU N N 15 124.431 0.2 . 1 . . . . 41 Glu N . 25773 1 506 . 1 1 42 42 PRO HA H 1 4.430 0.02 . 1 . . . . 42 Pro HA . 25773 1 507 . 1 1 42 42 PRO HB2 H 1 1.852 0.02 . 1 . . . . 42 Pro HB1 . 25773 1 508 . 1 1 42 42 PRO HB3 H 1 2.273 0.02 . 1 . . . . 42 Pro HB2 . 25773 1 509 . 1 1 42 42 PRO HG2 H 1 2.023 0.02 . 1 . . . . 42 Pro HG1 . 25773 1 510 . 1 1 42 42 PRO HG3 H 1 2.023 0.02 . 1 . . . . 42 Pro HG2 . 25773 1 511 . 1 1 42 42 PRO HD2 H 1 3.824 0.02 . 1 . . . . 42 Pro HD1 . 25773 1 512 . 1 1 42 42 PRO HD3 H 1 3.824 0.02 . 1 . . . . 42 Pro HD2 . 25773 1 513 . 1 1 42 42 PRO C C 13 176.804 0.2 . 1 . . . . 42 Pro C . 25773 1 514 . 1 1 42 42 PRO CA C 13 63.054 0.2 . 1 . . . . 42 Pro CA . 25773 1 515 . 1 1 42 42 PRO CB C 13 32.302 0.2 . 1 . . . . 42 Pro CB . 25773 1 516 . 1 1 42 42 PRO CG C 13 27.683 0.2 . 1 . . . . 42 Pro CG . 25773 1 517 . 1 1 42 42 PRO CD C 13 51.012 0.2 . 1 . . . . 42 Pro CD . 25773 1 518 . 1 1 43 43 VAL H H 1 8.334 0.02 . 1 . . . . 43 Val HN . 25773 1 519 . 1 1 43 43 VAL HA H 1 4.022 0.02 . 1 . . . . 43 Val HA . 25773 1 520 . 1 1 43 43 VAL HB H 1 2.020 0.02 . 1 . . . . 43 Val HB . 25773 1 521 . 1 1 43 43 VAL HG11 H 1 0.927 0.02 . 1 . . . . 43 Val HG11 . 25773 1 522 . 1 1 43 43 VAL HG12 H 1 0.927 0.02 . 1 . . . . 43 Val HG12 . 25773 1 523 . 1 1 43 43 VAL HG13 H 1 0.927 0.02 . 1 . . . . 43 Val HG13 . 25773 1 524 . 1 1 43 43 VAL HG21 H 1 0.942 0.02 . 1 . . . . 43 Val HG21 . 25773 1 525 . 1 1 43 43 VAL HG22 H 1 0.942 0.02 . 1 . . . . 43 Val HG22 . 25773 1 526 . 1 1 43 43 VAL HG23 H 1 0.942 0.02 . 1 . . . . 43 Val HG23 . 25773 1 527 . 1 1 43 43 VAL C C 13 176.292 0.2 . 1 . . . . 43 Val C . 25773 1 528 . 1 1 43 43 VAL CA C 13 62.535 0.2 . 1 . . . . 43 Val CA . 25773 1 529 . 1 1 43 43 VAL CB C 13 33.136 0.2 . 1 . . . . 43 Val CB . 25773 1 530 . 1 1 43 43 VAL CG1 C 13 21.250 0.2 . 1 . . . . 43 Val CG1 . 25773 1 531 . 1 1 43 43 VAL CG2 C 13 21.250 0.2 . 1 . . . . 43 Val CG2 . 25773 1 532 . 1 1 43 43 VAL N N 15 121.348 0.2 . 1 . . . . 43 Val N . 25773 1 533 . 1 1 44 44 LYS H H 1 8.538 0.02 . 1 . . . . 44 Lys HN . 25773 1 534 . 1 1 44 44 LYS HA H 1 4.358 0.02 . 1 . . . . 44 Lys HA . 25773 1 535 . 1 1 44 44 LYS HB2 H 1 1.810 0.02 . 1 . . . . 44 Lys HB1 . 25773 1 536 . 1 1 44 44 LYS HB3 H 1 1.788 0.02 . 1 . . . . 44 Lys HB2 . 25773 1 537 . 1 1 44 44 LYS HG2 H 1 1.425 0.02 . 1 . . . . 44 Lys HG1 . 25773 1 538 . 1 1 44 44 LYS HG3 H 1 1.436 0.02 . 1 . . . . 44 Lys HG2 . 25773 1 539 . 1 1 44 44 LYS HD2 H 1 1.827 0.02 . 1 . . . . 44 Lys HD1 . 25773 1 540 . 1 1 44 44 LYS HD3 H 1 1.825 0.02 . 1 . . . . 44 Lys HD2 . 25773 1 541 . 1 1 44 44 LYS HE2 H 1 2.987 0.02 . 1 . . . . 44 Lys HE1 . 25773 1 542 . 1 1 44 44 LYS HE3 H 1 2.987 0.02 . 1 . . . . 44 Lys HE2 . 25773 1 543 . 1 1 44 44 LYS C C 13 176.651 0.2 . 1 . . . . 44 Lys C . 25773 1 544 . 1 1 44 44 LYS CA C 13 56.162 0.2 . 1 . . . . 44 Lys CA . 25773 1 545 . 1 1 44 44 LYS CB C 13 33.217 0.2 . 1 . . . . 44 Lys CB . 25773 1 546 . 1 1 44 44 LYS CG C 13 24.874 0.2 . 1 . . . . 44 Lys CG . 25773 1 547 . 1 1 44 44 LYS CD C 13 29.103 0.2 . 1 . . . . 44 Lys CD . 25773 1 548 . 1 1 44 44 LYS CE C 13 43.023 0.2 . 1 . . . . 44 Lys CE . 25773 1 549 . 1 1 44 44 LYS N N 15 126.229 0.2 . 1 . . . . 44 Lys N . 25773 1 550 . 1 1 45 45 GLY H H 1 8.268 0.02 . 1 . . . . 45 Gly HN . 25773 1 551 . 1 1 45 45 GLY HA2 H 1 4.017 0.02 . 1 . . . . 45 Gly HA1 . 25773 1 552 . 1 1 45 45 GLY HA3 H 1 4.151 0.02 . 1 . . . . 45 Gly HA2 . 25773 1 553 . 1 1 45 45 GLY C C 13 171.648 0.2 . 1 . . . . 45 Gly C . 25773 1 554 . 1 1 45 45 GLY CA C 13 44.690 0.2 . 1 . . . . 45 Gly CA . 25773 1 555 . 1 1 45 45 GLY N N 15 110.634 0.2 . 1 . . . . 45 Gly N . 25773 1 556 . 1 1 46 46 PRO HA H 1 4.418 0.02 . 1 . . . . 46 Pro HA . 25773 1 557 . 1 1 46 46 PRO HB2 H 1 2.238 0.02 . 1 . . . . 46 Pro HB1 . 25773 1 558 . 1 1 46 46 PRO HB3 H 1 1.885 0.02 . 1 . . . . 46 Pro HB2 . 25773 1 559 . 1 1 46 46 PRO HG2 H 1 2.001 0.02 . 1 . . . . 46 Pro HG1 . 25773 1 560 . 1 1 46 46 PRO HG3 H 1 1.996 0.02 . 1 . . . . 46 Pro HG2 . 25773 1 561 . 1 1 46 46 PRO HD2 H 1 3.835 0.02 . 1 . . . . 46 Pro HD1 . 25773 1 562 . 1 1 46 46 PRO HD3 H 1 3.743 0.02 . 1 . . . . 46 Pro HD2 . 25773 1 563 . 1 1 46 46 PRO C C 13 177.196 0.2 . 1 . . . . 46 Pro C . 25773 1 564 . 1 1 46 46 PRO CA C 13 62.972 0.2 . 1 . . . . 46 Pro CA . 25773 1 565 . 1 1 46 46 PRO CB C 13 32.249 0.2 . 1 . . . . 46 Pro CB . 25773 1 566 . 1 1 46 46 PRO CG C 13 27.414 0.2 . 1 . . . . 46 Pro CG . 25773 1 567 . 1 1 46 46 PRO CD C 13 50.713 0.2 . 1 . . . . 46 Pro CD . 25773 1 568 . 1 1 47 47 VAL H H 1 8.258 0.02 . 1 . . . . 47 Val HN . 25773 1 569 . 1 1 47 47 VAL HA H 1 4.058 0.02 . 1 . . . . 47 Val HA . 25773 1 570 . 1 1 47 47 VAL HB H 1 2.070 0.02 . 1 . . . . 47 Val HB . 25773 1 571 . 1 1 47 47 VAL HG11 H 1 0.930 0.02 . 1 . . . . 47 Val HG11 . 25773 1 572 . 1 1 47 47 VAL HG12 H 1 0.930 0.02 . 1 . . . . 47 Val HG12 . 25773 1 573 . 1 1 47 47 VAL HG13 H 1 0.930 0.02 . 1 . . . . 47 Val HG13 . 25773 1 574 . 1 1 47 47 VAL HG21 H 1 1.008 0.02 . 1 . . . . 47 Val HG21 . 25773 1 575 . 1 1 47 47 VAL HG22 H 1 1.008 0.02 . 1 . . . . 47 Val HG22 . 25773 1 576 . 1 1 47 47 VAL HG23 H 1 1.008 0.02 . 1 . . . . 47 Val HG23 . 25773 1 577 . 1 1 47 47 VAL C C 13 176.271 0.2 . 1 . . . . 47 Val C . 25773 1 578 . 1 1 47 47 VAL CA C 13 63.136 0.2 . 1 . . . . 47 Val CA . 25773 1 579 . 1 1 47 47 VAL CB C 13 32.530 0.2 . 1 . . . . 47 Val CB . 25773 1 580 . 1 1 47 47 VAL CG1 C 13 21.078 0.2 . 1 . . . . 47 Val CG1 . 25773 1 581 . 1 1 47 47 VAL CG2 C 13 20.784 0.2 . 1 . . . . 47 Val CG2 . 25773 1 582 . 1 1 47 47 VAL N N 15 120.482 0.2 . 1 . . . . 47 Val N . 25773 1 583 . 1 1 48 48 SER H H 1 8.517 0.02 . 1 . . . . 48 Ser HN . 25773 1 584 . 1 1 48 48 SER HA H 1 4.638 0.02 . 1 . . . . 48 Ser HA . 25773 1 585 . 1 1 48 48 SER HB2 H 1 3.884 0.02 . 1 . . . . 48 Ser HB1 . 25773 1 586 . 1 1 48 48 SER HB3 H 1 3.923 0.02 . 1 . . . . 48 Ser HB2 . 25773 1 587 . 1 1 48 48 SER C C 13 174.422 0.2 . 1 . . . . 48 Ser C . 25773 1 588 . 1 1 48 48 SER CA C 13 57.798 0.2 . 1 . . . . 48 Ser CA . 25773 1 589 . 1 1 48 48 SER CB C 13 63.526 0.2 . 1 . . . . 48 Ser CB . 25773 1 590 . 1 1 48 48 SER N N 15 118.935 0.2 . 1 . . . . 48 Ser N . 25773 1 591 . 1 1 49 49 THR H H 1 8.176 0.02 . 1 . . . . 49 Thr HN . 25773 1 592 . 1 1 49 49 THR HA H 1 4.536 0.02 . 1 . . . . 49 Thr HA . 25773 1 593 . 1 1 49 49 THR HB H 1 4.118 0.02 . 1 . . . . 49 Thr HB . 25773 1 594 . 1 1 49 49 THR HG21 H 1 1.194 0.02 . 1 . . . . 49 Thr HG21 . 25773 1 595 . 1 1 49 49 THR HG22 H 1 1.194 0.02 . 1 . . . . 49 Thr HG22 . 25773 1 596 . 1 1 49 49 THR HG23 H 1 1.194 0.02 . 1 . . . . 49 Thr HG23 . 25773 1 597 . 1 1 49 49 THR C C 13 174.731 0.2 . 1 . . . . 49 Thr C . 25773 1 598 . 1 1 49 49 THR CA C 13 61.600 0.2 . 1 . . . . 49 Thr CA . 25773 1 599 . 1 1 49 49 THR CB C 13 70.694 0.2 . 1 . . . . 49 Thr CB . 25773 1 600 . 1 1 49 49 THR CG2 C 13 22.567 0.2 . 1 . . . . 49 Thr CG2 . 25773 1 601 . 1 1 49 49 THR N N 15 116.627 0.2 . 1 . . . . 49 Thr N . 25773 1 602 . 1 1 50 50 LYS H H 1 9.306 0.02 . 1 . . . . 50 Lys HN . 25773 1 603 . 1 1 50 50 LYS HA H 1 4.612 0.02 . 1 . . . . 50 Lys HA . 25773 1 604 . 1 1 50 50 LYS HB2 H 1 2.137 0.02 . 1 . . . . 50 Lys HB1 . 25773 1 605 . 1 1 50 50 LYS HB3 H 1 2.137 0.02 . 1 . . . . 50 Lys HB2 . 25773 1 606 . 1 1 50 50 LYS HG2 H 1 1.298 0.02 . 1 . . . . 50 Lys HG1 . 25773 1 607 . 1 1 50 50 LYS HG3 H 1 1.298 0.02 . 1 . . . . 50 Lys HG2 . 25773 1 608 . 1 1 50 50 LYS HD2 H 1 1.435 0.02 . 1 . . . . 50 Lys HD1 . 25773 1 609 . 1 1 50 50 LYS HD3 H 1 1.435 0.02 . 1 . . . . 50 Lys HD2 . 25773 1 610 . 1 1 50 50 LYS HE2 H 1 2.992 0.02 . 1 . . . . 50 Lys HE1 . 25773 1 611 . 1 1 50 50 LYS HE3 H 1 2.992 0.02 . 1 . . . . 50 Lys HE2 . 25773 1 612 . 1 1 50 50 LYS C C 13 174.885 0.2 . 1 . . . . 50 Lys C . 25773 1 613 . 1 1 50 50 LYS CA C 13 54.978 0.2 . 1 . . . . 50 Lys CA . 25773 1 614 . 1 1 50 50 LYS CB C 13 33.656 0.2 . 1 . . . . 50 Lys CB . 25773 1 615 . 1 1 50 50 LYS CG C 13 24.649 0.2 . 1 . . . . 50 Lys CG . 25773 1 616 . 1 1 50 50 LYS CE C 13 44.907 0.2 . 1 . . . . 50 Lys CE . 25773 1 617 . 1 1 50 50 LYS N N 15 125.969 0.2 . 1 . . . . 50 Lys N . 25773 1 618 . 1 1 51 51 PRO HA H 1 4.437 0.02 . 1 . . . . 51 Pro HA . 25773 1 619 . 1 1 51 51 PRO HB2 H 1 1.902 0.02 . 1 . . . . 51 Pro HB1 . 25773 1 620 . 1 1 51 51 PRO HB3 H 1 2.312 0.02 . 1 . . . . 51 Pro HB2 . 25773 1 621 . 1 1 51 51 PRO HG2 H 1 2.001 0.02 . 1 . . . . 51 Pro HG1 . 25773 1 622 . 1 1 51 51 PRO HG3 H 1 1.841 0.02 . 1 . . . . 51 Pro HG2 . 25773 1 623 . 1 1 51 51 PRO HD2 H 1 3.898 0.02 . 1 . . . . 51 Pro HD1 . 25773 1 624 . 1 1 51 51 PRO HD3 H 1 3.683 0.02 . 1 . . . . 51 Pro HD2 . 25773 1 625 . 1 1 51 51 PRO C C 13 175.708 0.2 . 1 . . . . 51 Pro C . 25773 1 626 . 1 1 51 51 PRO CA C 13 63.059 0.2 . 1 . . . . 51 Pro CA . 25773 1 627 . 1 1 51 51 PRO CB C 13 32.667 0.2 . 1 . . . . 51 Pro CB . 25773 1 628 . 1 1 51 51 PRO CG C 13 27.427 0.2 . 1 . . . . 51 Pro CG . 25773 1 629 . 1 1 51 51 PRO CD C 13 51.398 0.2 . 1 . . . . 51 Pro CD . 25773 1 630 . 1 1 52 52 GLY H H 1 8.258 0.02 . 1 . . . . 52 Gly HN . 25773 1 631 . 1 1 52 52 GLY HA2 H 1 3.753 0.02 . 1 . . . . 52 Gly HA1 . 25773 1 632 . 1 1 52 52 GLY HA3 H 1 4.446 0.02 . 1 . . . . 52 Gly HA2 . 25773 1 633 . 1 1 52 52 GLY C C 13 173.460 0.2 . 1 . . . . 52 Gly C . 25773 1 634 . 1 1 52 52 GLY CA C 13 43.491 0.2 . 1 . . . . 52 Gly CA . 25773 1 635 . 1 1 52 52 GLY N N 15 106.825 0.2 . 1 . . . . 52 Gly N . 25773 1 636 . 1 1 53 53 SER H H 1 8.654 0.02 . 1 . . . . 53 Ser HN . 25773 1 637 . 1 1 53 53 SER HA H 1 4.972 0.02 . 1 . . . . 53 Ser HA . 25773 1 638 . 1 1 53 53 SER HB2 H 1 3.774 0.02 . 1 . . . . 53 Ser HB1 . 25773 1 639 . 1 1 53 53 SER HB3 H 1 3.577 0.02 . 1 . . . . 53 Ser HB2 . 25773 1 640 . 1 1 53 53 SER C C 13 174.583 0.2 . 1 . . . . 53 Ser C . 25773 1 641 . 1 1 53 53 SER CA C 13 56.961 0.2 . 1 . . . . 53 Ser CA . 25773 1 642 . 1 1 53 53 SER CB C 13 65.479 0.2 . 1 . . . . 53 Ser CB . 25773 1 643 . 1 1 53 53 SER N N 15 112.339 0.2 . 1 . . . . 53 Ser N . 25773 1 644 . 1 1 54 54 CYS H H 1 9.113 0.02 . 1 . . . . 54 Cys HN . 25773 1 645 . 1 1 54 54 CYS HA H 1 4.580 0.02 . 1 . . . . 54 Cys HA . 25773 1 646 . 1 1 54 54 CYS HB2 H 1 3.094 0.02 . 1 . . . . 54 Cys HB1 . 25773 1 647 . 1 1 54 54 CYS HB3 H 1 2.799 0.02 . 1 . . . . 54 Cys HB2 . 25773 1 648 . 1 1 54 54 CYS C C 13 173.074 0.2 . 1 . . . . 54 Cys C . 25773 1 649 . 1 1 54 54 CYS CA C 13 55.329 0.2 . 1 . . . . 54 Cys CA . 25773 1 650 . 1 1 54 54 CYS CB C 13 39.824 0.2 . 1 . . . . 54 Cys CB . 25773 1 651 . 1 1 54 54 CYS N N 15 122.544 0.2 . 1 . . . . 54 Cys N . 25773 1 652 . 1 1 55 55 PRO HA H 1 4.345 0.02 . 1 . . . . 55 Pro HA . 25773 1 653 . 1 1 55 55 PRO HB2 H 1 1.548 0.02 . 1 . . . . 55 Pro HB1 . 25773 1 654 . 1 1 55 55 PRO HB3 H 1 2.101 0.02 . 1 . . . . 55 Pro HB2 . 25773 1 655 . 1 1 55 55 PRO HG2 H 1 1.680 0.02 . 1 . . . . 55 Pro HG1 . 25773 1 656 . 1 1 55 55 PRO HG3 H 1 1.410 0.02 . 1 . . . . 55 Pro HG2 . 25773 1 657 . 1 1 55 55 PRO HD2 H 1 3.371 0.02 . 1 . . . . 55 Pro HD1 . 25773 1 658 . 1 1 55 55 PRO HD3 H 1 3.510 0.02 . 1 . . . . 55 Pro HD2 . 25773 1 659 . 1 1 55 55 PRO C C 13 175.367 0.2 . 1 . . . . 55 Pro C . 25773 1 660 . 1 1 55 55 PRO CA C 13 62.419 0.2 . 1 . . . . 55 Pro CA . 25773 1 661 . 1 1 55 55 PRO CB C 13 32.126 0.2 . 1 . . . . 55 Pro CB . 25773 1 662 . 1 1 55 55 PRO CG C 13 26.963 0.2 . 1 . . . . 55 Pro CG . 25773 1 663 . 1 1 55 55 PRO CD C 13 50.066 0.2 . 1 . . . . 55 Pro CD . 25773 1 664 . 1 1 56 56 ILE H H 1 8.467 0.02 . 1 . . . . 56 Ile HN . 25773 1 665 . 1 1 56 56 ILE HA H 1 3.947 0.02 . 1 . . . . 56 Ile HA . 25773 1 666 . 1 1 56 56 ILE HB H 1 1.726 0.02 . 1 . . . . 56 Ile HB . 25773 1 667 . 1 1 56 56 ILE HG12 H 1 1.151 0.02 . 1 . . . . 56 Ile HG11 . 25773 1 668 . 1 1 56 56 ILE HG13 H 1 1.485 0.02 . 1 . . . . 56 Ile HG12 . 25773 1 669 . 1 1 56 56 ILE HG21 H 1 0.777 0.02 . 1 . . . . 56 Ile HG21 . 25773 1 670 . 1 1 56 56 ILE HG22 H 1 0.777 0.02 . 1 . . . . 56 Ile HG22 . 25773 1 671 . 1 1 56 56 ILE HG23 H 1 0.777 0.02 . 1 . . . . 56 Ile HG23 . 25773 1 672 . 1 1 56 56 ILE HD11 H 1 0.777 0.02 . 1 . . . . 56 Ile HD11 . 25773 1 673 . 1 1 56 56 ILE HD12 H 1 0.777 0.02 . 1 . . . . 56 Ile HD12 . 25773 1 674 . 1 1 56 56 ILE HD13 H 1 0.777 0.02 . 1 . . . . 56 Ile HD13 . 25773 1 675 . 1 1 56 56 ILE C C 13 175.749 0.2 . 1 . . . . 56 Ile C . 25773 1 676 . 1 1 56 56 ILE CA C 13 60.978 0.2 . 1 . . . . 56 Ile CA . 25773 1 677 . 1 1 56 56 ILE CB C 13 37.204 0.2 . 1 . . . . 56 Ile CB . 25773 1 678 . 1 1 56 56 ILE CG1 C 13 27.428 0.2 . 1 . . . . 56 Ile CG1 . 25773 1 679 . 1 1 56 56 ILE CG2 C 13 17.277 0.2 . 1 . . . . 56 Ile CG2 . 25773 1 680 . 1 1 56 56 ILE CD1 C 13 12.183 0.2 . 1 . . . . 56 Ile CD1 . 25773 1 681 . 1 1 56 56 ILE N N 15 122.083 0.2 . 1 . . . . 56 Ile N . 25773 1 682 . 1 1 57 57 ILE H H 1 8.583 0.02 . 1 . . . . 57 Ile HN . 25773 1 683 . 1 1 57 57 ILE HA H 1 4.164 0.02 . 1 . . . . 57 Ile HA . 25773 1 684 . 1 1 57 57 ILE HB H 1 1.676 0.02 . 1 . . . . 57 Ile HB . 25773 1 685 . 1 1 57 57 ILE HG12 H 1 1.088 0.02 . 1 . . . . 57 Ile HG11 . 25773 1 686 . 1 1 57 57 ILE HG13 H 1 1.164 0.02 . 1 . . . . 57 Ile HG12 . 25773 1 687 . 1 1 57 57 ILE HG21 H 1 0.758 0.02 . 1 . . . . 57 Ile HG21 . 25773 1 688 . 1 1 57 57 ILE HG22 H 1 0.758 0.02 . 1 . . . . 57 Ile HG22 . 25773 1 689 . 1 1 57 57 ILE HG23 H 1 0.758 0.02 . 1 . . . . 57 Ile HG23 . 25773 1 690 . 1 1 57 57 ILE HD11 H 1 0.588 0.02 . 1 . . . . 57 Ile HD11 . 25773 1 691 . 1 1 57 57 ILE HD12 H 1 0.588 0.02 . 1 . . . . 57 Ile HD12 . 25773 1 692 . 1 1 57 57 ILE HD13 H 1 0.588 0.02 . 1 . . . . 57 Ile HD13 . 25773 1 693 . 1 1 57 57 ILE C C 13 176.029 0.2 . 1 . . . . 57 Ile C . 25773 1 694 . 1 1 57 57 ILE CA C 13 59.270 0.2 . 1 . . . . 57 Ile CA . 25773 1 695 . 1 1 57 57 ILE CB C 13 38.266 0.2 . 1 . . . . 57 Ile CB . 25773 1 696 . 1 1 57 57 ILE CG1 C 13 26.946 0.2 . 1 . . . . 57 Ile CG1 . 25773 1 697 . 1 1 57 57 ILE CG2 C 13 17.464 0.2 . 1 . . . . 57 Ile CG2 . 25773 1 698 . 1 1 57 57 ILE CD1 C 13 11.443 0.2 . 1 . . . . 57 Ile CD1 . 25773 1 699 . 1 1 57 57 ILE N N 15 130.805 0.2 . 1 . . . . 57 Ile N . 25773 1 700 . 1 1 58 58 LEU H H 1 8.727 0.02 . 1 . . . . 58 Leu HN . 25773 1 701 . 1 1 58 58 LEU HA H 1 4.334 0.02 . 1 . . . . 58 Leu HA . 25773 1 702 . 1 1 58 58 LEU HB2 H 1 1.560 0.02 . 1 . . . . 58 Leu HB1 . 25773 1 703 . 1 1 58 58 LEU HB3 H 1 1.643 0.02 . 1 . . . . 58 Leu HB2 . 25773 1 704 . 1 1 58 58 LEU HG H 1 1.561 0.02 . 1 . . . . 58 Leu HG . 25773 1 705 . 1 1 58 58 LEU HD11 H 1 0.770 0.02 . 1 . . . . 58 Leu HD11 . 25773 1 706 . 1 1 58 58 LEU HD12 H 1 0.770 0.02 . 1 . . . . 58 Leu HD12 . 25773 1 707 . 1 1 58 58 LEU HD13 H 1 0.770 0.02 . 1 . . . . 58 Leu HD13 . 25773 1 708 . 1 1 58 58 LEU HD21 H 1 0.883 0.02 . 1 . . . . 58 Leu HD21 . 25773 1 709 . 1 1 58 58 LEU HD22 H 1 0.883 0.02 . 1 . . . . 58 Leu HD22 . 25773 1 710 . 1 1 58 58 LEU HD23 H 1 0.883 0.02 . 1 . . . . 58 Leu HD23 . 25773 1 711 . 1 1 58 58 LEU C C 13 177.279 0.2 . 1 . . . . 58 Leu C . 25773 1 712 . 1 1 58 58 LEU CA C 13 55.935 0.2 . 1 . . . . 58 Leu CA . 25773 1 713 . 1 1 58 58 LEU CB C 13 42.882 0.2 . 1 . . . . 58 Leu CB . 25773 1 714 . 1 1 58 58 LEU CG C 13 27.052 0.2 . 1 . . . . 58 Leu CG . 25773 1 715 . 1 1 58 58 LEU CD1 C 13 22.813 0.2 . 1 . . . . 58 Leu CD1 . 25773 1 716 . 1 1 58 58 LEU CD2 C 13 25.069 0.2 . 1 . . . . 58 Leu CD2 . 25773 1 717 . 1 1 58 58 LEU N N 15 127.295 0.2 . 1 . . . . 58 Leu N . 25773 1 718 . 1 1 59 59 ILE H H 1 7.415 0.02 . 1 . . . . 59 Ile HN . 25773 1 719 . 1 1 59 59 ILE HA H 1 4.226 0.02 . 1 . . . . 59 Ile HA . 25773 1 720 . 1 1 59 59 ILE HB H 1 1.764 0.02 . 1 . . . . 59 Ile HB . 25773 1 721 . 1 1 59 59 ILE HG12 H 1 1.130 0.02 . 1 . . . . 59 Ile HG11 . 25773 1 722 . 1 1 59 59 ILE HG13 H 1 1.449 0.02 . 1 . . . . 59 Ile HG12 . 25773 1 723 . 1 1 59 59 ILE HG21 H 1 0.858 0.02 . 1 . . . . 59 Ile HG21 . 25773 1 724 . 1 1 59 59 ILE HG22 H 1 0.858 0.02 . 1 . . . . 59 Ile HG22 . 25773 1 725 . 1 1 59 59 ILE HG23 H 1 0.858 0.02 . 1 . . . . 59 Ile HG23 . 25773 1 726 . 1 1 59 59 ILE HD11 H 1 0.855 0.02 . 1 . . . . 59 Ile HD11 . 25773 1 727 . 1 1 59 59 ILE HD12 H 1 0.855 0.02 . 1 . . . . 59 Ile HD12 . 25773 1 728 . 1 1 59 59 ILE HD13 H 1 0.855 0.02 . 1 . . . . 59 Ile HD13 . 25773 1 729 . 1 1 59 59 ILE C C 13 174.981 0.2 . 1 . . . . 59 Ile C . 25773 1 730 . 1 1 59 59 ILE CA C 13 60.633 0.2 . 1 . . . . 59 Ile CA . 25773 1 731 . 1 1 59 59 ILE CB C 13 38.950 0.2 . 1 . . . . 59 Ile CB . 25773 1 732 . 1 1 59 59 ILE CG1 C 13 27.142 0.2 . 1 . . . . 59 Ile CG1 . 25773 1 733 . 1 1 59 59 ILE CG2 C 13 17.329 0.2 . 1 . . . . 59 Ile CG2 . 25773 1 734 . 1 1 59 59 ILE CD1 C 13 12.752 0.2 . 1 . . . . 59 Ile CD1 . 25773 1 735 . 1 1 59 59 ILE N N 15 119.525 0.2 . 1 . . . . 59 Ile N . 25773 1 736 . 1 1 60 60 ARG H H 1 8.435 0.02 . 1 . . . . 60 Arg HN . 25773 1 737 . 1 1 60 60 ARG HA H 1 5.329 0.02 . 1 . . . . 60 Arg HA . 25773 1 738 . 1 1 60 60 ARG HB2 H 1 1.636 0.02 . 1 . . . . 60 Arg HB1 . 25773 1 739 . 1 1 60 60 ARG HB3 H 1 1.932 0.02 . 1 . . . . 60 Arg HB2 . 25773 1 740 . 1 1 60 60 ARG HG2 H 1 1.563 0.02 . 1 . . . . 60 Arg HG1 . 25773 1 741 . 1 1 60 60 ARG HG3 H 1 1.563 0.02 . 1 . . . . 60 Arg HG2 . 25773 1 742 . 1 1 60 60 ARG HD2 H 1 3.172 0.02 . 1 . . . . 60 Arg HD1 . 25773 1 743 . 1 1 60 60 ARG HD3 H 1 3.262 0.02 . 1 . . . . 60 Arg HD2 . 25773 1 744 . 1 1 60 60 ARG HE H 1 7.110 0.02 . 1 . . . . 60 Arg HE . 25773 1 745 . 1 1 60 60 ARG C C 13 176.964 0.2 . 1 . . . . 60 Arg C . 25773 1 746 . 1 1 60 60 ARG CA C 13 53.755 0.2 . 1 . . . . 60 Arg CA . 25773 1 747 . 1 1 60 60 ARG CB C 13 33.752 0.2 . 1 . . . . 60 Arg CB . 25773 1 748 . 1 1 60 60 ARG CG C 13 27.230 0.2 . 1 . . . . 60 Arg CG . 25773 1 749 . 1 1 60 60 ARG CD C 13 43.421 0.2 . 1 . . . . 60 Arg CD . 25773 1 750 . 1 1 60 60 ARG N N 15 124.710 0.2 . 1 . . . . 60 Arg N . 25773 1 751 . 1 1 60 60 ARG NE N 15 85.072 0.2 . 1 . . . . 60 Arg NE . 25773 1 752 . 1 1 61 61 CYS H H 1 8.899 0.02 . 1 . . . . 61 Cys HN . 25773 1 753 . 1 1 61 61 CYS HA H 1 4.653 0.02 . 1 . . . . 61 Cys HA . 25773 1 754 . 1 1 61 61 CYS HB2 H 1 3.225 0.02 . 1 . . . . 61 Cys HB1 . 25773 1 755 . 1 1 61 61 CYS HB3 H 1 3.743 0.02 . 1 . . . . 61 Cys HB2 . 25773 1 756 . 1 1 61 61 CYS C C 13 173.408 0.2 . 1 . . . . 61 Cys C . 25773 1 757 . 1 1 61 61 CYS CA C 13 54.901 0.2 . 1 . . . . 61 Cys CA . 25773 1 758 . 1 1 61 61 CYS CB C 13 39.869 0.2 . 1 . . . . 61 Cys CB . 25773 1 759 . 1 1 61 61 CYS N N 15 119.090 0.2 . 1 . . . . 61 Cys N . 25773 1 760 . 1 1 62 62 ALA H H 1 8.837 0.02 . 1 . . . . 62 Ala HN . 25773 1 761 . 1 1 62 62 ALA HA H 1 4.407 0.02 . 1 . . . . 62 Ala HA . 25773 1 762 . 1 1 62 62 ALA HB1 H 1 1.379 0.02 . 1 . . . . 62 Ala HB1 . 25773 1 763 . 1 1 62 62 ALA HB2 H 1 1.379 0.02 . 1 . . . . 62 Ala HB2 . 25773 1 764 . 1 1 62 62 ALA HB3 H 1 1.379 0.02 . 1 . . . . 62 Ala HB3 . 25773 1 765 . 1 1 62 62 ALA C C 13 177.215 0.2 . 1 . . . . 62 Ala C . 25773 1 766 . 1 1 62 62 ALA CA C 13 52.064 0.2 . 1 . . . . 62 Ala CA . 25773 1 767 . 1 1 62 62 ALA CB C 13 18.287 0.2 . 1 . . . . 62 Ala CB . 25773 1 768 . 1 1 62 62 ALA N N 15 124.459 0.2 . 1 . . . . 62 Ala N . 25773 1 769 . 1 1 63 63 MET H H 1 7.218 0.02 . 1 . . . . 63 Met HN . 25773 1 770 . 1 1 63 63 MET HA H 1 4.263 0.02 . 1 . . . . 63 Met HA . 25773 1 771 . 1 1 63 63 MET HB2 H 1 1.938 0.02 . 1 . . . . 63 Met HB1 . 25773 1 772 . 1 1 63 63 MET HB3 H 1 1.939 0.02 . 1 . . . . 63 Met HB2 . 25773 1 773 . 1 1 63 63 MET HG2 H 1 2.395 0.02 . 1 . . . . 63 Met HG1 . 25773 1 774 . 1 1 63 63 MET HG3 H 1 2.475 0.02 . 1 . . . . 63 Met HG2 . 25773 1 775 . 1 1 63 63 MET HE1 H 1 2.109 0.02 . 1 . . . . 63 Met HE1 . 25773 1 776 . 1 1 63 63 MET HE2 H 1 2.109 0.02 . 1 . . . . 63 Met HE2 . 25773 1 777 . 1 1 63 63 MET HE3 H 1 2.109 0.02 . 1 . . . . 63 Met HE3 . 25773 1 778 . 1 1 63 63 MET C C 13 175.148 0.2 . 1 . . . . 63 Met C . 25773 1 779 . 1 1 63 63 MET CA C 13 56.052 0.2 . 1 . . . . 63 Met CA . 25773 1 780 . 1 1 63 63 MET CB C 13 34.399 0.2 . 1 . . . . 63 Met CB . 25773 1 781 . 1 1 63 63 MET CG C 13 31.660 0.2 . 1 . . . . 63 Met CG . 25773 1 782 . 1 1 63 63 MET CE C 13 17.372 0.2 . 1 . . . . 63 Met CE . 25773 1 783 . 1 1 63 63 MET N N 15 118.654 0.2 . 1 . . . . 63 Met N . 25773 1 784 . 1 1 64 64 LEU H H 1 8.493 0.02 . 1 . . . . 64 Leu HN . 25773 1 785 . 1 1 64 64 LEU HA H 1 4.190 0.02 . 1 . . . . 64 Leu HA . 25773 1 786 . 1 1 64 64 LEU HB2 H 1 1.498 0.02 . 1 . . . . 64 Leu HB1 . 25773 1 787 . 1 1 64 64 LEU HB3 H 1 1.636 0.02 . 1 . . . . 64 Leu HB2 . 25773 1 788 . 1 1 64 64 LEU HG H 1 1.650 0.02 . 1 . . . . 64 Leu HG . 25773 1 789 . 1 1 64 64 LEU HD11 H 1 0.879 0.02 . 1 . . . . 64 Leu HD11 . 25773 1 790 . 1 1 64 64 LEU HD12 H 1 0.879 0.02 . 1 . . . . 64 Leu HD12 . 25773 1 791 . 1 1 64 64 LEU HD13 H 1 0.879 0.02 . 1 . . . . 64 Leu HD13 . 25773 1 792 . 1 1 64 64 LEU HD21 H 1 0.929 0.02 . 1 . . . . 64 Leu HD21 . 25773 1 793 . 1 1 64 64 LEU HD22 H 1 0.929 0.02 . 1 . . . . 64 Leu HD22 . 25773 1 794 . 1 1 64 64 LEU HD23 H 1 0.929 0.02 . 1 . . . . 64 Leu HD23 . 25773 1 795 . 1 1 64 64 LEU C C 13 177.224 0.2 . 1 . . . . 64 Leu C . 25773 1 796 . 1 1 64 64 LEU CA C 13 55.980 0.2 . 1 . . . . 64 Leu CA . 25773 1 797 . 1 1 64 64 LEU CB C 13 42.106 0.2 . 1 . . . . 64 Leu CB . 25773 1 798 . 1 1 64 64 LEU CG C 13 27.101 0.2 . 1 . . . . 64 Leu CG . 25773 1 799 . 1 1 64 64 LEU CD1 C 13 23.624 0.2 . 1 . . . . 64 Leu CD1 . 25773 1 800 . 1 1 64 64 LEU CD2 C 13 24.421 0.2 . 1 . . . . 64 Leu CD2 . 25773 1 801 . 1 1 64 64 LEU N N 15 124.813 0.2 . 1 . . . . 64 Leu N . 25773 1 802 . 1 1 65 65 ASN H H 1 8.716 0.02 . 1 . . . . 65 Asn HN . 25773 1 803 . 1 1 65 65 ASN HA H 1 4.793 0.02 . 1 . . . . 65 Asn HA . 25773 1 804 . 1 1 65 65 ASN HB2 H 1 2.700 0.02 . 1 . . . . 65 Asn HB1 . 25773 1 805 . 1 1 65 65 ASN HB3 H 1 2.700 0.02 . 1 . . . . 65 Asn HB2 . 25773 1 806 . 1 1 65 65 ASN HD21 H 1 7.584 0.02 . 1 . . . . 65 Asn HD21 . 25773 1 807 . 1 1 65 65 ASN HD22 H 1 6.889 0.02 . 1 . . . . 65 Asn HD22 . 25773 1 808 . 1 1 65 65 ASN C C 13 171.419 0.2 . 1 . . . . 65 Asn C . 25773 1 809 . 1 1 65 65 ASN CA C 13 52.162 0.2 . 1 . . . . 65 Asn CA . 25773 1 810 . 1 1 65 65 ASN CB C 13 38.610 0.2 . 1 . . . . 65 Asn CB . 25773 1 811 . 1 1 65 65 ASN N N 15 116.288 0.2 . 1 . . . . 65 Asn N . 25773 1 812 . 1 1 65 65 ASN ND2 N 15 112.866 0.2 . 1 . . . . 65 Asn ND2 . 25773 1 813 . 1 1 66 66 PRO HA H 1 4.554 0.02 . 1 . . . . 66 Pro HA . 25773 1 814 . 1 1 66 66 PRO HB2 H 1 2.097 0.02 . 1 . . . . 66 Pro HB1 . 25773 1 815 . 1 1 66 66 PRO HB3 H 1 1.681 0.02 . 1 . . . . 66 Pro HB2 . 25773 1 816 . 1 1 66 66 PRO HG2 H 1 1.906 0.02 . 1 . . . . 66 Pro HG1 . 25773 1 817 . 1 1 66 66 PRO HG3 H 1 1.906 0.02 . 1 . . . . 66 Pro HG2 . 25773 1 818 . 1 1 66 66 PRO HD2 H 1 3.500 0.02 . 1 . . . . 66 Pro HD1 . 25773 1 819 . 1 1 66 66 PRO HD3 H 1 3.593 0.02 . 1 . . . . 66 Pro HD2 . 25773 1 820 . 1 1 66 66 PRO CA C 13 61.636 0.2 . 1 . . . . 66 Pro CA . 25773 1 821 . 1 1 66 66 PRO CB C 13 31.538 0.2 . 1 . . . . 66 Pro CB . 25773 1 822 . 1 1 66 66 PRO CG C 13 27.161 0.2 . 1 . . . . 66 Pro CG . 25773 1 823 . 1 1 66 66 PRO CD C 13 50.270 0.2 . 1 . . . . 66 Pro CD . 25773 1 824 . 1 1 67 67 PRO HA H 1 4.368 0.02 . 1 . . . . 67 Pro HA . 25773 1 825 . 1 1 67 67 PRO HB2 H 1 1.821 0.02 . 1 . . . . 67 Pro HB1 . 25773 1 826 . 1 1 67 67 PRO HB3 H 1 2.163 0.02 . 1 . . . . 67 Pro HB2 . 25773 1 827 . 1 1 67 67 PRO HG2 H 1 2.001 0.02 . 1 . . . . 67 Pro HG1 . 25773 1 828 . 1 1 67 67 PRO HG3 H 1 1.998 0.02 . 1 . . . . 67 Pro HG2 . 25773 1 829 . 1 1 67 67 PRO HD2 H 1 3.835 0.02 . 1 . . . . 67 Pro HD1 . 25773 1 830 . 1 1 67 67 PRO HD3 H 1 3.748 0.02 . 1 . . . . 67 Pro HD2 . 25773 1 831 . 1 1 67 67 PRO C C 13 175.426 0.2 . 1 . . . . 67 Pro C . 25773 1 832 . 1 1 67 67 PRO CA C 13 62.519 0.2 . 1 . . . . 67 Pro CA . 25773 1 833 . 1 1 67 67 PRO CB C 13 31.719 0.2 . 1 . . . . 67 Pro CB . 25773 1 834 . 1 1 67 67 PRO CG C 13 27.457 0.2 . 1 . . . . 67 Pro CG . 25773 1 835 . 1 1 67 67 PRO CD C 13 51.028 0.2 . 1 . . . . 67 Pro CD . 25773 1 836 . 1 1 68 68 ASN H H 1 8.587 0.02 . 1 . . . . 68 Asn HN . 25773 1 837 . 1 1 68 68 ASN HA H 1 5.288 0.02 . 1 . . . . 68 Asn HA . 25773 1 838 . 1 1 68 68 ASN HB2 H 1 2.708 0.02 . 1 . . . . 68 Asn HB1 . 25773 1 839 . 1 1 68 68 ASN HB3 H 1 2.909 0.02 . 1 . . . . 68 Asn HB2 . 25773 1 840 . 1 1 68 68 ASN HD21 H 1 7.642 0.02 . 1 . . . . 68 Asn HD21 . 25773 1 841 . 1 1 68 68 ASN HD22 H 1 7.108 0.02 . 1 . . . . 68 Asn HD22 . 25773 1 842 . 1 1 68 68 ASN C C 13 176.083 0.2 . 1 . . . . 68 Asn C . 25773 1 843 . 1 1 68 68 ASN CA C 13 52.504 0.2 . 1 . . . . 68 Asn CA . 25773 1 844 . 1 1 68 68 ASN CB C 13 40.127 0.2 . 1 . . . . 68 Asn CB . 25773 1 845 . 1 1 68 68 ASN CG C 13 175.861 0.2 . 1 . . . . 68 Asn CG . 25773 1 846 . 1 1 68 68 ASN N N 15 118.561 0.2 . 1 . . . . 68 Asn N . 25773 1 847 . 1 1 68 68 ASN ND2 N 15 115.690 0.2 . 1 . . . . 68 Asn ND2 . 25773 1 848 . 1 1 69 69 ARG H H 1 8.846 0.02 . 1 . . . . 69 Arg HN . 25773 1 849 . 1 1 69 69 ARG HA H 1 4.350 0.02 . 1 . . . . 69 Arg HA . 25773 1 850 . 1 1 69 69 ARG HB2 H 1 1.763 0.02 . 1 . . . . 69 Arg HB1 . 25773 1 851 . 1 1 69 69 ARG HB3 H 1 2.098 0.02 . 1 . . . . 69 Arg HB2 . 25773 1 852 . 1 1 69 69 ARG HG2 H 1 2.240 0.02 . 1 . . . . 69 Arg HG1 . 25773 1 853 . 1 1 69 69 ARG HG3 H 1 2.216 0.02 . 1 . . . . 69 Arg HG2 . 25773 1 854 . 1 1 69 69 ARG HD2 H 1 3.184 0.02 . 1 . . . . 69 Arg HD1 . 25773 1 855 . 1 1 69 69 ARG HD3 H 1 3.185 0.02 . 1 . . . . 69 Arg HD2 . 25773 1 856 . 1 1 69 69 ARG HE H 1 7.241 0.02 . 1 . . . . 69 Arg HE . 25773 1 857 . 1 1 69 69 ARG C C 13 174.317 0.2 . 1 . . . . 69 Arg C . 25773 1 858 . 1 1 69 69 ARG CA C 13 56.076 0.2 . 1 . . . . 69 Arg CA . 25773 1 859 . 1 1 69 69 ARG CB C 13 30.753 0.2 . 1 . . . . 69 Arg CB . 25773 1 860 . 1 1 69 69 ARG CG C 13 27.817 0.2 . 1 . . . . 69 Arg CG . 25773 1 861 . 1 1 69 69 ARG CD C 13 43.236 0.2 . 1 . . . . 69 Arg CD . 25773 1 862 . 1 1 69 69 ARG N N 15 121.779 0.2 . 1 . . . . 69 Arg N . 25773 1 863 . 1 1 69 69 ARG NE N 15 84.714 0.2 . 1 . . . . 69 Arg NE . 25773 1 864 . 1 1 70 70 CYS H H 1 7.592 0.02 . 1 . . . . 70 Cys HN . 25773 1 865 . 1 1 70 70 CYS HA H 1 4.603 0.02 . 1 . . . . 70 Cys HA . 25773 1 866 . 1 1 70 70 CYS HB2 H 1 3.149 0.02 . 1 . . . . 70 Cys HB1 . 25773 1 867 . 1 1 70 70 CYS HB3 H 1 2.937 0.02 . 1 . . . . 70 Cys HB2 . 25773 1 868 . 1 1 70 70 CYS C C 13 170.751 0.2 . 1 . . . . 70 Cys C . 25773 1 869 . 1 1 70 70 CYS CA C 13 53.219 0.2 . 1 . . . . 70 Cys CA . 25773 1 870 . 1 1 70 70 CYS CB C 13 44.955 0.2 . 1 . . . . 70 Cys CB . 25773 1 871 . 1 1 70 70 CYS N N 15 113.118 0.2 . 1 . . . . 70 Cys N . 25773 1 872 . 1 1 71 71 LEU H H 1 9.087 0.02 . 1 . . . . 71 Leu HN . 25773 1 873 . 1 1 71 71 LEU HA H 1 4.656 0.02 . 1 . . . . 71 Leu HA . 25773 1 874 . 1 1 71 71 LEU HB2 H 1 1.666 0.02 . 1 . . . . 71 Leu HB1 . 25773 1 875 . 1 1 71 71 LEU HB3 H 1 1.520 0.02 . 1 . . . . 71 Leu HB2 . 25773 1 876 . 1 1 71 71 LEU HG H 1 1.524 0.02 . 1 . . . . 71 Leu HG . 25773 1 877 . 1 1 71 71 LEU HD11 H 1 0.911 0.02 . 1 . . . . 71 Leu HD11 . 25773 1 878 . 1 1 71 71 LEU HD12 H 1 0.911 0.02 . 1 . . . . 71 Leu HD12 . 25773 1 879 . 1 1 71 71 LEU HD13 H 1 0.911 0.02 . 1 . . . . 71 Leu HD13 . 25773 1 880 . 1 1 71 71 LEU HD21 H 1 0.912 0.02 . 1 . . . . 71 Leu HD21 . 25773 1 881 . 1 1 71 71 LEU HD22 H 1 0.912 0.02 . 1 . . . . 71 Leu HD22 . 25773 1 882 . 1 1 71 71 LEU HD23 H 1 0.912 0.02 . 1 . . . . 71 Leu HD23 . 25773 1 883 . 1 1 71 71 LEU C C 13 176.192 0.2 . 1 . . . . 71 Leu C . 25773 1 884 . 1 1 71 71 LEU CA C 13 55.763 0.2 . 1 . . . . 71 Leu CA . 25773 1 885 . 1 1 71 71 LEU CB C 13 45.097 0.2 . 1 . . . . 71 Leu CB . 25773 1 886 . 1 1 71 71 LEU CG C 13 27.139 0.2 . 1 . . . . 71 Leu CG . 25773 1 887 . 1 1 71 71 LEU CD1 C 13 24.994 0.2 . 1 . . . . 71 Leu CD1 . 25773 1 888 . 1 1 71 71 LEU CD2 C 13 23.404 0.2 . 1 . . . . 71 Leu CD2 . 25773 1 889 . 1 1 71 71 LEU N N 15 116.630 0.2 . 1 . . . . 71 Leu N . 25773 1 890 . 1 1 72 72 LYS H H 1 8.116 0.02 . 1 . . . . 72 Lys HN . 25773 1 891 . 1 1 72 72 LYS HA H 1 4.896 0.02 . 1 . . . . 72 Lys HA . 25773 1 892 . 1 1 72 72 LYS HB2 H 1 2.019 0.02 . 1 . . . . 72 Lys HB1 . 25773 1 893 . 1 1 72 72 LYS HB3 H 1 1.832 0.02 . 1 . . . . 72 Lys HB2 . 25773 1 894 . 1 1 72 72 LYS HG2 H 1 1.393 0.02 . 1 . . . . 72 Lys HG1 . 25773 1 895 . 1 1 72 72 LYS HG3 H 1 1.247 0.02 . 1 . . . . 72 Lys HG2 . 25773 1 896 . 1 1 72 72 LYS HD2 H 1 1.621 0.02 . 1 . . . . 72 Lys HD1 . 25773 1 897 . 1 1 72 72 LYS HD3 H 1 1.621 0.02 . 1 . . . . 72 Lys HD2 . 25773 1 898 . 1 1 72 72 LYS HE2 H 1 2.933 0.02 . 1 . . . . 72 Lys HE1 . 25773 1 899 . 1 1 72 72 LYS HE3 H 1 2.933 0.02 . 1 . . . . 72 Lys HE2 . 25773 1 900 . 1 1 72 72 LYS C C 13 177.714 0.2 . 1 . . . . 72 Lys C . 25773 1 901 . 1 1 72 72 LYS CA C 13 53.946 0.2 . 1 . . . . 72 Lys CA . 25773 1 902 . 1 1 72 72 LYS CB C 13 35.961 0.2 . 1 . . . . 72 Lys CB . 25773 1 903 . 1 1 72 72 LYS CG C 13 23.699 0.2 . 1 . . . . 72 Lys CG . 25773 1 904 . 1 1 72 72 LYS CD C 13 29.378 0.2 . 1 . . . . 72 Lys CD . 25773 1 905 . 1 1 72 72 LYS CE C 13 42.243 0.2 . 1 . . . . 72 Lys CE . 25773 1 906 . 1 1 72 72 LYS N N 15 116.512 0.2 . 1 . . . . 72 Lys N . 25773 1 907 . 1 1 73 73 ASP H H 1 9.500 0.02 . 1 . . . . 73 Asp HN . 25773 1 908 . 1 1 73 73 ASP HA H 1 4.295 0.02 . 1 . . . . 73 Asp HA . 25773 1 909 . 1 1 73 73 ASP HB2 H 1 2.479 0.02 . 1 . . . . 73 Asp HB1 . 25773 1 910 . 1 1 73 73 ASP HB3 H 1 3.255 0.02 . 1 . . . . 73 Asp HB2 . 25773 1 911 . 1 1 73 73 ASP C C 13 179.029 0.2 . 1 . . . . 73 Asp C . 25773 1 912 . 1 1 73 73 ASP CA C 13 58.922 0.2 . 1 . . . . 73 Asp CA . 25773 1 913 . 1 1 73 73 ASP CB C 13 39.785 0.2 . 1 . . . . 73 Asp CB . 25773 1 914 . 1 1 73 73 ASP N N 15 123.684 0.2 . 1 . . . . 73 Asp N . 25773 1 915 . 1 1 74 74 THR H H 1 7.841 0.02 . 1 . . . . 74 Thr HN . 25773 1 916 . 1 1 74 74 THR HA H 1 4.220 0.02 . 1 . . . . 74 Thr HA . 25773 1 917 . 1 1 74 74 THR HB H 1 4.507 0.02 . 1 . . . . 74 Thr HB . 25773 1 918 . 1 1 74 74 THR HG21 H 1 1.303 0.02 . 1 . . . . 74 Thr HG21 . 25773 1 919 . 1 1 74 74 THR HG22 H 1 1.303 0.02 . 1 . . . . 74 Thr HG22 . 25773 1 920 . 1 1 74 74 THR HG23 H 1 1.303 0.02 . 1 . . . . 74 Thr HG23 . 25773 1 921 . 1 1 74 74 THR C C 13 175.361 0.2 . 1 . . . . 74 Thr C . 25773 1 922 . 1 1 74 74 THR CA C 13 63.689 0.2 . 1 . . . . 74 Thr CA . 25773 1 923 . 1 1 74 74 THR CB C 13 68.130 0.2 . 1 . . . . 74 Thr CB . 25773 1 924 . 1 1 74 74 THR CG2 C 13 22.476 0.2 . 1 . . . . 74 Thr CG2 . 25773 1 925 . 1 1 74 74 THR N N 15 106.487 0.2 . 1 . . . . 74 Thr N . 25773 1 926 . 1 1 75 75 ASP H H 1 7.973 0.02 . 1 . . . . 75 Asp HN . 25773 1 927 . 1 1 75 75 ASP HA H 1 4.648 0.02 . 1 . . . . 75 Asp HA . 25773 1 928 . 1 1 75 75 ASP HB2 H 1 3.122 0.02 . 1 . . . . 75 Asp HB1 . 25773 1 929 . 1 1 75 75 ASP HB3 H 1 3.121 0.02 . 1 . . . . 75 Asp HB2 . 25773 1 930 . 1 1 75 75 ASP C C 13 176.282 0.2 . 1 . . . . 75 Asp C . 25773 1 931 . 1 1 75 75 ASP CA C 13 55.602 0.2 . 1 . . . . 75 Asp CA . 25773 1 932 . 1 1 75 75 ASP CB C 13 42.221 0.2 . 1 . . . . 75 Asp CB . 25773 1 933 . 1 1 75 75 ASP N N 15 120.262 0.2 . 1 . . . . 75 Asp N . 25773 1 934 . 1 1 76 76 CYS H H 1 7.959 0.02 . 1 . . . . 76 Cys HN . 25773 1 935 . 1 1 76 76 CYS HA H 1 5.054 0.02 . 1 . . . . 76 Cys HA . 25773 1 936 . 1 1 76 76 CYS HB2 H 1 2.969 0.02 . 1 . . . . 76 Cys HB1 . 25773 1 937 . 1 1 76 76 CYS HB3 H 1 2.503 0.02 . 1 . . . . 76 Cys HB2 . 25773 1 938 . 1 1 76 76 CYS C C 13 179.322 0.2 . 1 . . . . 76 Cys C . 25773 1 939 . 1 1 76 76 CYS CA C 13 51.502 0.2 . 1 . . . . 76 Cys CA . 25773 1 940 . 1 1 76 76 CYS CB C 13 40.145 0.2 . 1 . . . . 76 Cys CB . 25773 1 941 . 1 1 76 76 CYS N N 15 118.747 0.2 . 1 . . . . 76 Cys N . 25773 1 942 . 1 1 77 77 PRO HA H 1 4.540 0.02 . 1 . . . . 77 Pro HA . 25773 1 943 . 1 1 77 77 PRO HB2 H 1 2.249 0.02 . 1 . . . . 77 Pro HB1 . 25773 1 944 . 1 1 77 77 PRO HB3 H 1 1.991 0.02 . 1 . . . . 77 Pro HB2 . 25773 1 945 . 1 1 77 77 PRO HG2 H 1 2.139 0.02 . 1 . . . . 77 Pro HG1 . 25773 1 946 . 1 1 77 77 PRO HG3 H 1 1.963 0.02 . 1 . . . . 77 Pro HG2 . 25773 1 947 . 1 1 77 77 PRO HD2 H 1 3.682 0.02 . 1 . . . . 77 Pro HD1 . 25773 1 948 . 1 1 77 77 PRO HD3 H 1 3.866 0.02 . 1 . . . . 77 Pro HD2 . 25773 1 949 . 1 1 77 77 PRO C C 13 177.257 0.2 . 1 . . . . 77 Pro C . 25773 1 950 . 1 1 77 77 PRO CA C 13 62.344 0.2 . 1 . . . . 77 Pro CA . 25773 1 951 . 1 1 77 77 PRO CB C 13 32.460 0.2 . 1 . . . . 77 Pro CB . 25773 1 952 . 1 1 77 77 PRO CG C 13 27.530 0.2 . 1 . . . . 77 Pro CG . 25773 1 953 . 1 1 77 77 PRO CD C 13 50.517 0.2 . 1 . . . . 77 Pro CD . 25773 1 954 . 1 1 78 78 GLY H H 1 8.651 0.02 . 1 . . . . 78 Gly HN . 25773 1 955 . 1 1 78 78 GLY HA2 H 1 3.773 0.02 . 1 . . . . 78 Gly HA1 . 25773 1 956 . 1 1 78 78 GLY HA3 H 1 4.019 0.02 . 1 . . . . 78 Gly HA2 . 25773 1 957 . 1 1 78 78 GLY C C 13 177.835 0.2 . 1 . . . . 78 Gly C . 25773 1 958 . 1 1 78 78 GLY CA C 13 46.987 0.2 . 1 . . . . 78 Gly CA . 25773 1 959 . 1 1 78 78 GLY N N 15 106.802 0.2 . 1 . . . . 78 Gly N . 25773 1 960 . 1 1 79 79 ILE H H 1 8.681 0.02 . 1 . . . . 79 Ile HN . 25773 1 961 . 1 1 79 79 ILE HA H 1 4.342 0.02 . 1 . . . . 79 Ile HA . 25773 1 962 . 1 1 79 79 ILE HB H 1 2.201 0.02 . 1 . . . . 79 Ile HB . 25773 1 963 . 1 1 79 79 ILE HG12 H 1 1.086 0.02 . 1 . . . . 79 Ile HG11 . 25773 1 964 . 1 1 79 79 ILE HG13 H 1 1.354 0.02 . 1 . . . . 79 Ile HG12 . 25773 1 965 . 1 1 79 79 ILE HG21 H 1 0.962 0.02 . 1 . . . . 79 Ile HG21 . 25773 1 966 . 1 1 79 79 ILE HG22 H 1 0.962 0.02 . 1 . . . . 79 Ile HG22 . 25773 1 967 . 1 1 79 79 ILE HG23 H 1 0.962 0.02 . 1 . . . . 79 Ile HG23 . 25773 1 968 . 1 1 79 79 ILE HD11 H 1 0.942 0.02 . 1 . . . . 79 Ile HD11 . 25773 1 969 . 1 1 79 79 ILE HD12 H 1 0.942 0.02 . 1 . . . . 79 Ile HD12 . 25773 1 970 . 1 1 79 79 ILE HD13 H 1 0.942 0.02 . 1 . . . . 79 Ile HD13 . 25773 1 971 . 1 1 79 79 ILE C C 13 176.256 0.2 . 1 . . . . 79 Ile C . 25773 1 972 . 1 1 79 79 ILE CA C 13 61.625 0.2 . 1 . . . . 79 Ile CA . 25773 1 973 . 1 1 79 79 ILE CB C 13 38.172 0.2 . 1 . . . . 79 Ile CB . 25773 1 974 . 1 1 79 79 ILE CG1 C 13 25.820 0.2 . 1 . . . . 79 Ile CG1 . 25773 1 975 . 1 1 79 79 ILE CG2 C 13 18.249 0.2 . 1 . . . . 79 Ile CG2 . 25773 1 976 . 1 1 79 79 ILE CD1 C 13 14.729 0.2 . 1 . . . . 79 Ile CD1 . 25773 1 977 . 1 1 79 79 ILE N N 15 122.647 0.2 . 1 . . . . 79 Ile N . 25773 1 978 . 1 1 80 80 LYS H H 1 7.884 0.02 . 1 . . . . 80 Lys HN . 25773 1 979 . 1 1 80 80 LYS HA H 1 4.145 0.02 . 1 . . . . 80 Lys HA . 25773 1 980 . 1 1 80 80 LYS HB2 H 1 1.709 0.02 . 1 . . . . 80 Lys HB1 . 25773 1 981 . 1 1 80 80 LYS HB3 H 1 1.713 0.02 . 1 . . . . 80 Lys HB2 . 25773 1 982 . 1 1 80 80 LYS HE2 H 1 2.634 0.02 . 1 . . . . 80 Lys HE1 . 25773 1 983 . 1 1 80 80 LYS HE3 H 1 2.634 0.02 . 1 . . . . 80 Lys HE2 . 25773 1 984 . 1 1 80 80 LYS C C 13 175.544 0.2 . 1 . . . . 80 Lys C . 25773 1 985 . 1 1 80 80 LYS CA C 13 58.811 0.2 . 1 . . . . 80 Lys CA . 25773 1 986 . 1 1 80 80 LYS CB C 13 33.972 0.2 . 1 . . . . 80 Lys CB . 25773 1 987 . 1 1 80 80 LYS N N 15 117.786 0.2 . 1 . . . . 80 Lys N . 25773 1 988 . 1 1 81 81 LYS H H 1 8.833 0.02 . 1 . . . . 81 Lys HN . 25773 1 989 . 1 1 81 81 LYS HA H 1 4.215 0.02 . 1 . . . . 81 Lys HA . 25773 1 990 . 1 1 81 81 LYS HB2 H 1 2.054 0.02 . 1 . . . . 81 Lys HB1 . 25773 1 991 . 1 1 81 81 LYS HB3 H 1 2.054 0.02 . 1 . . . . 81 Lys HB2 . 25773 1 992 . 1 1 81 81 LYS HG2 H 1 0.923 0.02 . 1 . . . . 81 Lys HG1 . 25773 1 993 . 1 1 81 81 LYS HG3 H 1 0.923 0.02 . 1 . . . . 81 Lys HG2 . 25773 1 994 . 1 1 81 81 LYS HD2 H 1 1.029 0.02 . 1 . . . . 81 Lys HD1 . 25773 1 995 . 1 1 81 81 LYS HD3 H 1 1.157 0.02 . 1 . . . . 81 Lys HD2 . 25773 1 996 . 1 1 81 81 LYS HE2 H 1 2.722 0.02 . 1 . . . . 81 Lys HE1 . 25773 1 997 . 1 1 81 81 LYS HE3 H 1 2.722 0.02 . 1 . . . . 81 Lys HE2 . 25773 1 998 . 1 1 81 81 LYS C C 13 174.726 0.2 . 1 . . . . 81 Lys C . 25773 1 999 . 1 1 81 81 LYS CA C 13 54.534 0.2 . 1 . . . . 81 Lys CA . 25773 1 1000 . 1 1 81 81 LYS CB C 13 35.536 0.2 . 1 . . . . 81 Lys CB . 25773 1 1001 . 1 1 81 81 LYS CD C 13 24.886 0.2 . 1 . . . . 81 Lys CD . 25773 1 1002 . 1 1 81 81 LYS N N 15 118.875 0.2 . 1 . . . . 81 Lys N . 25773 1 1003 . 1 1 82 82 CYS H H 1 9.263 0.02 . 1 . . . . 82 Cys HN . 25773 1 1004 . 1 1 82 82 CYS HA H 1 4.990 0.02 . 1 . . . . 82 Cys HA . 25773 1 1005 . 1 1 82 82 CYS HB2 H 1 2.738 0.02 . 1 . . . . 82 Cys HB1 . 25773 1 1006 . 1 1 82 82 CYS HB3 H 1 2.533 0.02 . 1 . . . . 82 Cys HB2 . 25773 1 1007 . 1 1 82 82 CYS C C 13 174.197 0.2 . 1 . . . . 82 Cys C . 25773 1 1008 . 1 1 82 82 CYS CA C 13 55.408 0.2 . 1 . . . . 82 Cys CA . 25773 1 1009 . 1 1 82 82 CYS CB C 13 39.004 0.2 . 1 . . . . 82 Cys CB . 25773 1 1010 . 1 1 82 82 CYS N N 15 121.122 0.2 . 1 . . . . 82 Cys N . 25773 1 1011 . 1 1 83 83 CYS H H 1 9.539 0.02 . 1 . . . . 83 Cys HN . 25773 1 1012 . 1 1 83 83 CYS HA H 1 5.151 0.02 . 1 . . . . 83 Cys HA . 25773 1 1013 . 1 1 83 83 CYS HB2 H 1 2.772 0.02 . 1 . . . . 83 Cys HB1 . 25773 1 1014 . 1 1 83 83 CYS HB3 H 1 3.310 0.02 . 1 . . . . 83 Cys HB2 . 25773 1 1015 . 1 1 83 83 CYS C C 13 173.218 0.2 . 1 . . . . 83 Cys C . 25773 1 1016 . 1 1 83 83 CYS CA C 13 52.653 0.2 . 1 . . . . 83 Cys CA . 25773 1 1017 . 1 1 83 83 CYS CB C 13 45.366 0.2 . 1 . . . . 83 Cys CB . 25773 1 1018 . 1 1 83 83 CYS N N 15 128.048 0.2 . 1 . . . . 83 Cys N . 25773 1 1019 . 1 1 84 84 GLU H H 1 8.949 0.02 . 1 . . . . 84 Glu HN . 25773 1 1020 . 1 1 84 84 GLU HA H 1 4.163 0.02 . 1 . . . . 84 Glu HA . 25773 1 1021 . 1 1 84 84 GLU HB2 H 1 1.969 0.02 . 1 . . . . 84 Glu HB1 . 25773 1 1022 . 1 1 84 84 GLU HB3 H 1 1.961 0.02 . 1 . . . . 84 Glu HB2 . 25773 1 1023 . 1 1 84 84 GLU HG2 H 1 2.299 0.02 . 1 . . . . 84 Glu HG1 . 25773 1 1024 . 1 1 84 84 GLU HG3 H 1 2.368 0.02 . 1 . . . . 84 Glu HG2 . 25773 1 1025 . 1 1 84 84 GLU C C 13 176.082 0.2 . 1 . . . . 84 Glu C . 25773 1 1026 . 1 1 84 84 GLU CA C 13 58.631 0.2 . 1 . . . . 84 Glu CA . 25773 1 1027 . 1 1 84 84 GLU CB C 13 29.081 0.2 . 1 . . . . 84 Glu CB . 25773 1 1028 . 1 1 84 84 GLU CG C 13 36.050 0.2 . 1 . . . . 84 Glu CG . 25773 1 1029 . 1 1 84 84 GLU N N 15 123.103 0.2 . 1 . . . . 84 Glu N . 25773 1 1030 . 1 1 85 85 GLY H H 1 7.979 0.02 . 1 . . . . 85 Gly HN . 25773 1 1031 . 1 1 85 85 GLY HA2 H 1 4.093 0.02 . 1 . . . . 85 Gly HA1 . 25773 1 1032 . 1 1 85 85 GLY HA3 H 1 4.606 0.02 . 1 . . . . 85 Gly HA2 . 25773 1 1033 . 1 1 85 85 GLY C C 13 173.783 0.2 . 1 . . . . 85 Gly C . 25773 1 1034 . 1 1 85 85 GLY CA C 13 44.264 0.2 . 1 . . . . 85 Gly CA . 25773 1 1035 . 1 1 85 85 GLY N N 15 115.884 0.2 . 1 . . . . 85 Gly N . 25773 1 1036 . 1 1 86 86 SER H H 1 8.821 0.02 . 1 . . . . 86 Ser HN . 25773 1 1037 . 1 1 86 86 SER HA H 1 4.401 0.02 . 1 . . . . 86 Ser HA . 25773 1 1038 . 1 1 86 86 SER HB2 H 1 3.912 0.02 . 1 . . . . 86 Ser HB1 . 25773 1 1039 . 1 1 86 86 SER HB3 H 1 3.911 0.02 . 1 . . . . 86 Ser HB2 . 25773 1 1040 . 1 1 86 86 SER C C 13 174.950 0.2 . 1 . . . . 86 Ser C . 25773 1 1041 . 1 1 86 86 SER CA C 13 60.846 0.2 . 1 . . . . 86 Ser CA . 25773 1 1042 . 1 1 86 86 SER CB C 13 63.362 0.2 . 1 . . . . 86 Ser CB . 25773 1 1043 . 1 1 86 86 SER N N 15 116.836 0.2 . 1 . . . . 86 Ser N . 25773 1 1044 . 1 1 87 87 CYS H H 1 9.176 0.02 . 1 . . . . 87 Cys HN . 25773 1 1045 . 1 1 87 87 CYS HA H 1 5.035 0.02 . 1 . . . . 87 Cys HA . 25773 1 1046 . 1 1 87 87 CYS HB2 H 1 3.115 0.02 . 1 . . . . 87 Cys HB1 . 25773 1 1047 . 1 1 87 87 CYS HB3 H 1 2.928 0.02 . 1 . . . . 87 Cys HB2 . 25773 1 1048 . 1 1 87 87 CYS C C 13 172.902 0.2 . 1 . . . . 87 Cys C . 25773 1 1049 . 1 1 87 87 CYS CA C 13 55.103 0.2 . 1 . . . . 87 Cys CA . 25773 1 1050 . 1 1 87 87 CYS CB C 13 35.193 0.2 . 1 . . . . 87 Cys CB . 25773 1 1051 . 1 1 87 87 CYS N N 15 122.472 0.2 . 1 . . . . 87 Cys N . 25773 1 1052 . 1 1 88 88 GLY H H 1 8.981 0.02 . 1 . . . . 88 Gly HN . 25773 1 1053 . 1 1 88 88 GLY HA2 H 1 3.691 0.02 . 1 . . . . 88 Gly HA1 . 25773 1 1054 . 1 1 88 88 GLY HA3 H 1 3.690 0.02 . 1 . . . . 88 Gly HA2 . 25773 1 1055 . 1 1 88 88 GLY C C 13 175.607 0.2 . 1 . . . . 88 Gly C . 25773 1 1056 . 1 1 88 88 GLY CA C 13 43.413 0.2 . 1 . . . . 88 Gly CA . 25773 1 1057 . 1 1 88 88 GLY N N 15 113.883 0.2 . 1 . . . . 88 Gly N . 25773 1 1058 . 1 1 89 89 MET H H 1 8.869 0.02 . 1 . . . . 89 Met HN . 25773 1 1059 . 1 1 89 89 MET HA H 1 5.103 0.02 . 1 . . . . 89 Met HA . 25773 1 1060 . 1 1 89 89 MET HB2 H 1 2.356 0.02 . 1 . . . . 89 Met HB1 . 25773 1 1061 . 1 1 89 89 MET HB3 H 1 2.697 0.02 . 1 . . . . 89 Met HB2 . 25773 1 1062 . 1 1 89 89 MET HG2 H 1 2.035 0.02 . 1 . . . . 89 Met HG1 . 25773 1 1063 . 1 1 89 89 MET HG3 H 1 2.143 0.02 . 1 . . . . 89 Met HG2 . 25773 1 1064 . 1 1 89 89 MET HE1 H 1 1.967 0.02 . 1 . . . . 89 Met HE1 . 25773 1 1065 . 1 1 89 89 MET HE2 H 1 1.967 0.02 . 1 . . . . 89 Met HE2 . 25773 1 1066 . 1 1 89 89 MET HE3 H 1 1.967 0.02 . 1 . . . . 89 Met HE3 . 25773 1 1067 . 1 1 89 89 MET C C 13 177.506 0.2 . 1 . . . . 89 Met C . 25773 1 1068 . 1 1 89 89 MET CA C 13 55.953 0.2 . 1 . . . . 89 Met CA . 25773 1 1069 . 1 1 89 89 MET CB C 13 32.936 0.2 . 1 . . . . 89 Met CB . 25773 1 1070 . 1 1 89 89 MET CG C 13 33.158 0.2 . 1 . . . . 89 Met CG . 25773 1 1071 . 1 1 89 89 MET CE C 13 17.771 0.2 . 1 . . . . 89 Met CE . 25773 1 1072 . 1 1 89 89 MET N N 15 119.094 0.2 . 1 . . . . 89 Met N . 25773 1 1073 . 1 1 90 90 ALA H H 1 9.548 0.02 . 1 . . . . 90 Ala HN . 25773 1 1074 . 1 1 90 90 ALA HA H 1 4.453 0.02 . 1 . . . . 90 Ala HA . 25773 1 1075 . 1 1 90 90 ALA HB1 H 1 1.296 0.02 . 1 . . . . 90 Ala HB1 . 25773 1 1076 . 1 1 90 90 ALA HB2 H 1 1.296 0.02 . 1 . . . . 90 Ala HB2 . 25773 1 1077 . 1 1 90 90 ALA HB3 H 1 1.296 0.02 . 1 . . . . 90 Ala HB3 . 25773 1 1078 . 1 1 90 90 ALA C C 13 174.544 0.2 . 1 . . . . 90 Ala C . 25773 1 1079 . 1 1 90 90 ALA CA C 13 51.998 0.2 . 1 . . . . 90 Ala CA . 25773 1 1080 . 1 1 90 90 ALA CB C 13 21.933 0.2 . 1 . . . . 90 Ala CB . 25773 1 1081 . 1 1 90 90 ALA N N 15 126.680 0.2 . 1 . . . . 90 Ala N . 25773 1 1082 . 1 1 91 91 CYS H H 1 8.754 0.02 . 1 . . . . 91 Cys HN . 25773 1 1083 . 1 1 91 91 CYS HA H 1 5.553 0.02 . 1 . . . . 91 Cys HA . 25773 1 1084 . 1 1 91 91 CYS HB2 H 1 2.469 0.02 . 1 . . . . 91 Cys HB1 . 25773 1 1085 . 1 1 91 91 CYS HB3 H 1 2.935 0.02 . 1 . . . . 91 Cys HB2 . 25773 1 1086 . 1 1 91 91 CYS C C 13 176.006 0.2 . 1 . . . . 91 Cys C . 25773 1 1087 . 1 1 91 91 CYS CA C 13 54.073 0.2 . 1 . . . . 91 Cys CA . 25773 1 1088 . 1 1 91 91 CYS CB C 13 40.123 0.2 . 1 . . . . 91 Cys CB . 25773 1 1089 . 1 1 91 91 CYS N N 15 117.764 0.2 . 1 . . . . 91 Cys N . 25773 1 1090 . 1 1 92 92 PHE H H 1 9.942 0.02 . 1 . . . . 92 Phe HN . 25773 1 1091 . 1 1 92 92 PHE HA H 1 4.860 0.02 . 1 . . . . 92 Phe HA . 25773 1 1092 . 1 1 92 92 PHE HB2 H 1 2.470 0.02 . 1 . . . . 92 Phe HB1 . 25773 1 1093 . 1 1 92 92 PHE HB3 H 1 3.056 0.02 . 1 . . . . 92 Phe HB2 . 25773 1 1094 . 1 1 92 92 PHE HD1 H 1 7.261 0.02 . 1 . . . . 92 Phe HD# . 25773 1 1095 . 1 1 92 92 PHE HD2 H 1 7.261 0.02 . 1 . . . . 92 Phe HD# . 25773 1 1096 . 1 1 92 92 PHE HE1 H 1 7.438 0.02 . 1 . . . . 92 Phe HE# . 25773 1 1097 . 1 1 92 92 PHE HE2 H 1 7.438 0.02 . 1 . . . . 92 Phe HE# . 25773 1 1098 . 1 1 92 92 PHE HZ H 1 7.224 0.02 . 1 . . . . 92 Phe HZ . 25773 1 1099 . 1 1 92 92 PHE C C 13 175.343 0.2 . 1 . . . . 92 Phe C . 25773 1 1100 . 1 1 92 92 PHE CA C 13 57.133 0.2 . 1 . . . . 92 Phe CA . 25773 1 1101 . 1 1 92 92 PHE CB C 13 43.844 0.2 . 1 . . . . 92 Phe CB . 25773 1 1102 . 1 1 92 92 PHE CD1 C 13 132.610 0.2 . 1 . . . . 92 Phe CD* . 25773 1 1103 . 1 1 92 92 PHE CD2 C 13 132.610 0.2 . 1 . . . . 92 Phe CD* . 25773 1 1104 . 1 1 92 92 PHE CE1 C 13 130.301 0.2 . 1 . . . . 92 Phe CE* . 25773 1 1105 . 1 1 92 92 PHE CE2 C 13 130.301 0.2 . 1 . . . . 92 Phe CE* . 25773 1 1106 . 1 1 92 92 PHE CZ C 13 131.656 0.2 . 1 . . . . 92 Phe CZ . 25773 1 1107 . 1 1 92 92 PHE N N 15 123.109 0.2 . 1 . . . . 92 Phe N . 25773 1 1108 . 1 1 93 93 VAL H H 1 8.981 0.02 . 1 . . . . 93 Val HN . 25773 1 1109 . 1 1 93 93 VAL HA H 1 3.963 0.02 . 1 . . . . 93 Val HA . 25773 1 1110 . 1 1 93 93 VAL HB H 1 2.103 0.02 . 1 . . . . 93 Val HB . 25773 1 1111 . 1 1 93 93 VAL HG11 H 1 1.098 0.02 . 1 . . . . 93 Val HG11 . 25773 1 1112 . 1 1 93 93 VAL HG12 H 1 1.098 0.02 . 1 . . . . 93 Val HG12 . 25773 1 1113 . 1 1 93 93 VAL HG13 H 1 1.098 0.02 . 1 . . . . 93 Val HG13 . 25773 1 1114 . 1 1 93 93 VAL HG21 H 1 1.103 0.02 . 1 . . . . 93 Val HG21 . 25773 1 1115 . 1 1 93 93 VAL HG22 H 1 1.103 0.02 . 1 . . . . 93 Val HG22 . 25773 1 1116 . 1 1 93 93 VAL HG23 H 1 1.103 0.02 . 1 . . . . 93 Val HG23 . 25773 1 1117 . 1 1 93 93 VAL C C 13 174.109 0.2 . 1 . . . . 93 Val C . 25773 1 1118 . 1 1 93 93 VAL CA C 13 61.884 0.2 . 1 . . . . 93 Val CA . 25773 1 1119 . 1 1 93 93 VAL CB C 13 32.194 0.2 . 1 . . . . 93 Val CB . 25773 1 1120 . 1 1 93 93 VAL CG1 C 13 22.515 0.2 . 1 . . . . 93 Val CG1 . 25773 1 1121 . 1 1 93 93 VAL CG2 C 13 20.981 0.2 . 1 . . . . 93 Val CG2 . 25773 1 1122 . 1 1 93 93 VAL N N 15 123.843 0.2 . 1 . . . . 93 Val N . 25773 1 1123 . 1 1 94 94 PRO HA H 1 4.527 0.02 . 1 . . . . 94 Pro HA . 25773 1 1124 . 1 1 94 94 PRO HB2 H 1 2.110 0.02 . 1 . . . . 94 Pro HB1 . 25773 1 1125 . 1 1 94 94 PRO HB3 H 1 2.133 0.02 . 1 . . . . 94 Pro HB2 . 25773 1 1126 . 1 1 94 94 PRO HG2 H 1 1.985 0.02 . 1 . . . . 94 Pro HG1 . 25773 1 1127 . 1 1 94 94 PRO HG3 H 1 2.143 0.02 . 1 . . . . 94 Pro HG2 . 25773 1 1128 . 1 1 94 94 PRO HD2 H 1 3.954 0.02 . 1 . . . . 94 Pro HD1 . 25773 1 1129 . 1 1 94 94 PRO HD3 H 1 3.605 0.02 . 1 . . . . 94 Pro HD2 . 25773 1 1130 . 1 1 94 94 PRO C C 13 175.809 0.2 . 1 . . . . 94 Pro C . 25773 1 1131 . 1 1 94 94 PRO CA C 13 62.623 0.2 . 1 . . . . 94 Pro CA . 25773 1 1132 . 1 1 94 94 PRO CB C 13 33.161 0.2 . 1 . . . . 94 Pro CB . 25773 1 1133 . 1 1 94 94 PRO CG C 13 27.520 0.2 . 1 . . . . 94 Pro CG . 25773 1 1134 . 1 1 94 94 PRO CD C 13 51.266 0.2 . 1 . . . . 94 Pro CD . 25773 1 1135 . 1 1 95 95 GLN H H 1 8.736 0.02 . 1 . . . . 95 Gln HN . 25773 1 1136 . 1 1 95 95 GLN HA H 1 4.215 0.02 . 1 . . . . 95 Gln HA . 25773 1 1137 . 1 1 95 95 GLN HB2 H 1 1.750 0.02 . 1 . . . . 95 Gln HB1 . 25773 1 1138 . 1 1 95 95 GLN HB3 H 1 2.071 0.02 . 1 . . . . 95 Gln HB2 . 25773 1 1139 . 1 1 95 95 GLN HG2 H 1 2.215 0.02 . 1 . . . . 95 Gln HG1 . 25773 1 1140 . 1 1 95 95 GLN HG3 H 1 2.227 0.02 . 1 . . . . 95 Gln HG2 . 25773 1 1141 . 1 1 95 95 GLN HE21 H 1 6.911 0.02 . 1 . . . . 95 Gln HE21 . 25773 1 1142 . 1 1 95 95 GLN HE22 H 1 7.624 0.02 . 1 . . . . 95 Gln HE22 . 25773 1 1143 . 1 1 95 95 GLN C C 13 181.439 0.2 . 1 . . . . 95 Gln C . 25773 1 1144 . 1 1 95 95 GLN CA C 13 56.536 0.2 . 1 . . . . 95 Gln CA . 25773 1 1145 . 1 1 95 95 GLN CB C 13 30.779 0.2 . 1 . . . . 95 Gln CB . 25773 1 1146 . 1 1 95 95 GLN CG C 13 34.432 0.2 . 1 . . . . 95 Gln CG . 25773 1 1147 . 1 1 95 95 GLN N N 15 124.400 0.2 . 1 . . . . 95 Gln N . 25773 1 1148 . 1 1 95 95 GLN NE2 N 15 112.855 0.2 . 1 . . . . 95 Gln NE2 . 25773 1 stop_ save_