data_25700 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25700 _Entry.Title ; Solution Structure of R. palustris CsgH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-13 _Entry.Accession_date 2015-07-13 _Entry.Last_release_date 2016-05-23 _Entry.Original_release_date 2016-05-23 _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 William Hawthorne . J. . . 25700 2 Jonathan Taylor . D. . . 25700 3 Andres Escalera-Maurer . . . . 25700 4 Sebastian Lambert . . . . 25700 5 Marion Koch . . . . 25700 6 Nicola Scull . . . . 25700 7 Lea Sefer . . . . 25700 8 Yinqi Xu . . . . 25700 9 Steve Matthews . J. . . 25700 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25700 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 25700 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25700 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 399 25700 '15N chemical shifts' 99 25700 '1H chemical shifts' 632 25700 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-05-23 . original BMRB . 25700 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N59 'BMRB Entry Tracking System' 25700 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25700 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27098162 _Citation.Full_citation . _Citation.Title ; Electrostatically-guided inhibition of Curli amyloid nucleation by the CsgC-like family of chaperones ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 24656 _Citation.Page_last 24656 _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 Jonathan Taylor . D. . . 25700 1 2 William Hawthorne . J. . . 25700 1 3 Catherine Fletcher . . . . 25700 1 4 Joanne Lo . . . . 25700 1 5 Marion Koch . . . . 25700 1 6 Nicholas Darvill . . . . 25700 1 7 Nicola Scull . . . . 25700 1 8 Andres Escalera-Maurer . . . . 25700 1 9 Lea Sefer . . . . 25700 1 10 Rosemary Wenman . . . . 25700 1 11 Sebastian Lambert . . . . 25700 1 12 Yinqi Xu . . . . 25700 1 13 Benjamin Turner . . . . 25700 1 14 Sergei Kazarian . G. . . 25700 1 15 Doryen Bubeck . . . . 25700 1 16 Alfonso 'de Simone' . . . . 25700 1 17 Tuomas Knowles . P.J. . . 25700 1 18 Steve Matthews . J. . . 25700 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25700 _Assembly.ID 1 _Assembly.Name 'R. palustris CsgH' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25700 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25700 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CsgH _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVQCEVEAAVSGGHVTLQGV ITAVRDGAGSYKLAVDKAGA AGTSRIKQAGAFTAIAEQRV TVGNVVLDYSSANRYAARLD VSFGSVTIQCNLDPETVKLE HHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Native N-terminal Sequence: MAVDQVPPV has been replaced with a single N-terminal Methionine.' _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10492.875 _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 MET . 25700 1 2 2 VAL . 25700 1 3 3 GLN . 25700 1 4 4 CYS . 25700 1 5 5 GLU . 25700 1 6 6 VAL . 25700 1 7 7 GLU . 25700 1 8 8 ALA . 25700 1 9 9 ALA . 25700 1 10 10 VAL . 25700 1 11 11 SER . 25700 1 12 12 GLY . 25700 1 13 13 GLY . 25700 1 14 14 HIS . 25700 1 15 15 VAL . 25700 1 16 16 THR . 25700 1 17 17 LEU . 25700 1 18 18 GLN . 25700 1 19 19 GLY . 25700 1 20 20 VAL . 25700 1 21 21 ILE . 25700 1 22 22 THR . 25700 1 23 23 ALA . 25700 1 24 24 VAL . 25700 1 25 25 ARG . 25700 1 26 26 ASP . 25700 1 27 27 GLY . 25700 1 28 28 ALA . 25700 1 29 29 GLY . 25700 1 30 30 SER . 25700 1 31 31 TYR . 25700 1 32 32 LYS . 25700 1 33 33 LEU . 25700 1 34 34 ALA . 25700 1 35 35 VAL . 25700 1 36 36 ASP . 25700 1 37 37 LYS . 25700 1 38 38 ALA . 25700 1 39 39 GLY . 25700 1 40 40 ALA . 25700 1 41 41 ALA . 25700 1 42 42 GLY . 25700 1 43 43 THR . 25700 1 44 44 SER . 25700 1 45 45 ARG . 25700 1 46 46 ILE . 25700 1 47 47 LYS . 25700 1 48 48 GLN . 25700 1 49 49 ALA . 25700 1 50 50 GLY . 25700 1 51 51 ALA . 25700 1 52 52 PHE . 25700 1 53 53 THR . 25700 1 54 54 ALA . 25700 1 55 55 ILE . 25700 1 56 56 ALA . 25700 1 57 57 GLU . 25700 1 58 58 GLN . 25700 1 59 59 ARG . 25700 1 60 60 VAL . 25700 1 61 61 THR . 25700 1 62 62 VAL . 25700 1 63 63 GLY . 25700 1 64 64 ASN . 25700 1 65 65 VAL . 25700 1 66 66 VAL . 25700 1 67 67 LEU . 25700 1 68 68 ASP . 25700 1 69 69 TYR . 25700 1 70 70 SER . 25700 1 71 71 SER . 25700 1 72 72 ALA . 25700 1 73 73 ASN . 25700 1 74 74 ARG . 25700 1 75 75 TYR . 25700 1 76 76 ALA . 25700 1 77 77 ALA . 25700 1 78 78 ARG . 25700 1 79 79 LEU . 25700 1 80 80 ASP . 25700 1 81 81 VAL . 25700 1 82 82 SER . 25700 1 83 83 PHE . 25700 1 84 84 GLY . 25700 1 85 85 SER . 25700 1 86 86 VAL . 25700 1 87 87 THR . 25700 1 88 88 ILE . 25700 1 89 89 GLN . 25700 1 90 90 CYS . 25700 1 91 91 ASN . 25700 1 92 92 LEU . 25700 1 93 93 ASP . 25700 1 94 94 PRO . 25700 1 95 95 GLU . 25700 1 96 96 THR . 25700 1 97 97 VAL . 25700 1 98 98 LYS . 25700 1 99 99 LEU . 25700 1 100 100 GLU . 25700 1 101 101 HIS . 25700 1 102 102 HIS . 25700 1 103 103 HIS . 25700 1 104 104 HIS . 25700 1 105 105 HIS . 25700 1 106 106 HIS . 25700 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25700 1 . VAL 2 2 25700 1 . GLN 3 3 25700 1 . CYS 4 4 25700 1 . GLU 5 5 25700 1 . VAL 6 6 25700 1 . GLU 7 7 25700 1 . ALA 8 8 25700 1 . ALA 9 9 25700 1 . VAL 10 10 25700 1 . SER 11 11 25700 1 . GLY 12 12 25700 1 . GLY 13 13 25700 1 . HIS 14 14 25700 1 . VAL 15 15 25700 1 . THR 16 16 25700 1 . LEU 17 17 25700 1 . GLN 18 18 25700 1 . GLY 19 19 25700 1 . VAL 20 20 25700 1 . ILE 21 21 25700 1 . THR 22 22 25700 1 . ALA 23 23 25700 1 . VAL 24 24 25700 1 . ARG 25 25 25700 1 . ASP 26 26 25700 1 . GLY 27 27 25700 1 . ALA 28 28 25700 1 . GLY 29 29 25700 1 . SER 30 30 25700 1 . TYR 31 31 25700 1 . LYS 32 32 25700 1 . LEU 33 33 25700 1 . ALA 34 34 25700 1 . VAL 35 35 25700 1 . ASP 36 36 25700 1 . LYS 37 37 25700 1 . ALA 38 38 25700 1 . GLY 39 39 25700 1 . ALA 40 40 25700 1 . ALA 41 41 25700 1 . GLY 42 42 25700 1 . THR 43 43 25700 1 . SER 44 44 25700 1 . ARG 45 45 25700 1 . ILE 46 46 25700 1 . LYS 47 47 25700 1 . GLN 48 48 25700 1 . ALA 49 49 25700 1 . GLY 50 50 25700 1 . ALA 51 51 25700 1 . PHE 52 52 25700 1 . THR 53 53 25700 1 . ALA 54 54 25700 1 . ILE 55 55 25700 1 . ALA 56 56 25700 1 . GLU 57 57 25700 1 . GLN 58 58 25700 1 . ARG 59 59 25700 1 . VAL 60 60 25700 1 . THR 61 61 25700 1 . VAL 62 62 25700 1 . GLY 63 63 25700 1 . ASN 64 64 25700 1 . VAL 65 65 25700 1 . VAL 66 66 25700 1 . LEU 67 67 25700 1 . ASP 68 68 25700 1 . TYR 69 69 25700 1 . SER 70 70 25700 1 . SER 71 71 25700 1 . ALA 72 72 25700 1 . ASN 73 73 25700 1 . ARG 74 74 25700 1 . TYR 75 75 25700 1 . ALA 76 76 25700 1 . ALA 77 77 25700 1 . ARG 78 78 25700 1 . LEU 79 79 25700 1 . ASP 80 80 25700 1 . VAL 81 81 25700 1 . SER 82 82 25700 1 . PHE 83 83 25700 1 . GLY 84 84 25700 1 . SER 85 85 25700 1 . VAL 86 86 25700 1 . THR 87 87 25700 1 . ILE 88 88 25700 1 . GLN 89 89 25700 1 . CYS 90 90 25700 1 . ASN 91 91 25700 1 . LEU 92 92 25700 1 . ASP 93 93 25700 1 . PRO 94 94 25700 1 . GLU 95 95 25700 1 . THR 96 96 25700 1 . VAL 97 97 25700 1 . LYS 98 98 25700 1 . LEU 99 99 25700 1 . GLU 100 100 25700 1 . HIS 101 101 25700 1 . HIS 102 102 25700 1 . HIS 103 103 25700 1 . HIS 104 104 25700 1 . HIS 105 105 25700 1 . HIS 106 106 25700 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 25700 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1076 organism . 'Rhodopseudomonas palustris' a-proteobacteria . . Bacteria . Rhodopseudomonas palustris DX-1 . . . . . . . . . . csgH 'Codon Optimised' 25700 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 25700 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'SHuffle T7 Express' . . . . . pET28 . . 'C-terminal Histidine Tag' 25700 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25700 _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 CsgH '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 400 . . uM . . . . 25700 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25700 1 3 MES 'natural abundance' . . . . . . 10 . . mM . . . . 25700 1 4 D2O [U-2H] . . . . . . 10 . . % . . . . 25700 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25700 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25700 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CsgH '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 400 . . uM . . . . 25700 2 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25700 2 3 MES 'natural abundance' . . . . . . 10 . . mM . . . . 25700 2 4 D2O [U-2H] . . . . . . 100 . . % . . . . 25700 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25700 _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' 150 . mM 25700 1 pH 6.5 . pH 25700 1 pressure 1 . atm 25700 1 temperature 292 . K 25700 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25700 _Software.ID 1 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 25700 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25700 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25700 _Software.ID 2 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25700 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25700 2 stop_ save_ save_CcpNmr _Software.Sf_category software _Software.Sf_framecode CcpNmr _Software.Entry_ID 25700 _Software.ID 3 _Software.Name CcpNmr _Software.Version 2.4.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vranken WF, Boucher W, Stevens TJ, Fogh RH, Pajon A, Llinas M, Ulrich EL, Markley JL, Ionides J, Laue ED.' . . 25700 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25700 3 'peak picking' 25700 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25700 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25700 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25700 4 'structure solution' 25700 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25700 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25700 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25700 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25700 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25700 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25700 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 25700 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25700 1 2 spectrometer_2 Bruker Avance . 800 . . . 25700 1 3 spectrometer_3 Bruker Avance . 950 . . . 25700 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 25700 _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 . . . . . . . . . . . . . . . . 25700 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25700 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25700 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25700 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25700 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25700 1 7 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25700 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25700 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25700 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25700 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25700 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25700 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 25700 _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 na 'methyl carbons' . . . . ppm 0 na indirect 0.251449530 . . . . . 25700 1 H 1 water protons . . . . ppm 4.83 internal direct 1 . . . . . 25700 1 N 15 na nitrogen . . . . ppm 0 na indirect 0.101329118 . . . . . 25700 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 25700 _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' . . . 25700 1 2 '3D HNCACB' . . . 25700 1 3 '3D CBCA(CO)NH' . . . 25700 1 4 '3D HNCO' . . . 25700 1 5 '3D HN(CA)CO' . . . 25700 1 6 '3D HBHA(CO)NH' . . . 25700 1 7 '3D CC(CO)NH' . . . 25700 1 8 '3D HCCH-TOCSY' . . . 25700 1 9 '2D 1H-13C HSQC aromatic' . . . 25700 1 10 '2D 1H-1H NOESY' . . . 25700 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 MET C C 13 175.663 0.5 . . . . . A 1 MET C . 25700 1 2 . 1 1 1 1 MET CA C 13 56.756 0.5 . . . . . A 1 MET CA . 25700 1 3 . 1 1 2 2 VAL H H 1 8.041 0.05 . . . . . A 2 VAL H . 25700 1 4 . 1 1 2 2 VAL HA H 1 4.678 0.05 . . . . . A 2 VAL HA . 25700 1 5 . 1 1 2 2 VAL HB H 1 1.710 0.05 . . . . . A 2 VAL HB . 25700 1 6 . 1 1 2 2 VAL HG11 H 1 0.530 0.05 . . . . . A 2 VAL HG11 . 25700 1 7 . 1 1 2 2 VAL HG12 H 1 0.530 0.05 . . . . . A 2 VAL HG12 . 25700 1 8 . 1 1 2 2 VAL HG13 H 1 0.530 0.05 . . . . . A 2 VAL HG13 . 25700 1 9 . 1 1 2 2 VAL HG21 H 1 0.668 0.05 . . . . . A 2 VAL HG21 . 25700 1 10 . 1 1 2 2 VAL HG22 H 1 0.668 0.05 . . . . . A 2 VAL HG22 . 25700 1 11 . 1 1 2 2 VAL HG23 H 1 0.668 0.05 . . . . . A 2 VAL HG23 . 25700 1 12 . 1 1 2 2 VAL C C 13 171.871 0.5 . . . . . A 2 VAL C . 25700 1 13 . 1 1 2 2 VAL CA C 13 59.500 0.5 . . . . . A 2 VAL CA . 25700 1 14 . 1 1 2 2 VAL CB C 13 34.185 0.5 . . . . . A 2 VAL CB . 25700 1 15 . 1 1 2 2 VAL CG1 C 13 21.530 0.5 . . . . . A 2 VAL CG1 . 25700 1 16 . 1 1 2 2 VAL CG2 C 13 19.620 0.5 . . . . . A 2 VAL CG2 . 25700 1 17 . 1 1 2 2 VAL N N 15 123.080 0.5 . . . . . A 2 VAL N . 25700 1 18 . 1 1 3 3 GLN H H 1 8.126 0.05 . . . . . A 3 GLN H . 25700 1 19 . 1 1 3 3 GLN HA H 1 4.660 0.05 . . . . . A 3 GLN HA . 25700 1 20 . 1 1 3 3 GLN HB2 H 1 2.063 0.05 . . . . . A 3 GLN HB2 . 25700 1 21 . 1 1 3 3 GLN HB3 H 1 1.850 0.05 . . . . . A 3 GLN HB3 . 25700 1 22 . 1 1 3 3 GLN HG2 H 1 2.288 0.05 . . . . . A 3 GLN HG2 . 25700 1 23 . 1 1 3 3 GLN HG3 H 1 2.220 0.05 . . . . . A 3 GLN HG3 . 25700 1 24 . 1 1 3 3 GLN CA C 13 54.109 0.5 . . . . . A 3 GLN CA . 25700 1 25 . 1 1 3 3 GLN CB C 13 33.338 0.5 . . . . . A 3 GLN CB . 25700 1 26 . 1 1 3 3 GLN CG C 13 33.510 0.5 . . . . . A 3 GLN CG . 25700 1 27 . 1 1 3 3 GLN N N 15 123.080 0.5 . . . . . A 3 GLN N . 25700 1 28 . 1 1 4 4 CYS H H 1 8.909 0.05 . . . . . A 4 CYS H . 25700 1 29 . 1 1 4 4 CYS HA H 1 5.676 0.05 . . . . . A 4 CYS HA . 25700 1 30 . 1 1 4 4 CYS HB2 H 1 2.941 0.05 . . . . . A 4 CYS HB2 . 25700 1 31 . 1 1 4 4 CYS HB3 H 1 2.458 0.05 . . . . . A 4 CYS HB3 . 25700 1 32 . 1 1 4 4 CYS C C 13 171.720 0.5 . . . . . A 4 CYS C . 25700 1 33 . 1 1 4 4 CYS CA C 13 53.402 0.5 . . . . . A 4 CYS CA . 25700 1 34 . 1 1 4 4 CYS CB C 13 45.525 0.5 . . . . . A 4 CYS CB . 25700 1 35 . 1 1 4 4 CYS N N 15 115.260 0.5 . . . . . A 4 CYS N . 25700 1 36 . 1 1 5 5 GLU H H 1 8.580 0.05 . . . . . A 5 GLU H . 25700 1 37 . 1 1 5 5 GLU HA H 1 4.479 0.05 . . . . . A 5 GLU HA . 25700 1 38 . 1 1 5 5 GLU HB2 H 1 1.710 0.05 . . . . . A 5 GLU HB2 . 25700 1 39 . 1 1 5 5 GLU HB3 H 1 1.949 0.05 . . . . . A 5 GLU HB3 . 25700 1 40 . 1 1 5 5 GLU HG2 H 1 2.010 0.05 . . . . . A 5 GLU HG2 . 25700 1 41 . 1 1 5 5 GLU HG3 H 1 2.140 0.05 . . . . . A 5 GLU HG3 . 25700 1 42 . 1 1 5 5 GLU C C 13 174.088 0.5 . . . . . A 5 GLU C . 25700 1 43 . 1 1 5 5 GLU CA C 13 54.838 0.5 . . . . . A 5 GLU CA . 25700 1 44 . 1 1 5 5 GLU CB C 13 34.155 0.5 . . . . . A 5 GLU CB . 25700 1 45 . 1 1 5 5 GLU CG C 13 35.971 0.5 . . . . . A 5 GLU CG . 25700 1 46 . 1 1 5 5 GLU N N 15 117.764 0.5 . . . . . A 5 GLU N . 25700 1 47 . 1 1 6 6 VAL H H 1 8.588 0.05 . . . . . A 6 VAL H . 25700 1 48 . 1 1 6 6 VAL HA H 1 4.427 0.05 . . . . . A 6 VAL HA . 25700 1 49 . 1 1 6 6 VAL HB H 1 1.451 0.05 . . . . . A 6 VAL HB . 25700 1 50 . 1 1 6 6 VAL HG11 H 1 0.520 0.05 . . . . . A 6 VAL HG11 . 25700 1 51 . 1 1 6 6 VAL HG12 H 1 0.520 0.05 . . . . . A 6 VAL HG12 . 25700 1 52 . 1 1 6 6 VAL HG13 H 1 0.520 0.05 . . . . . A 6 VAL HG13 . 25700 1 53 . 1 1 6 6 VAL HG21 H 1 0.640 0.05 . . . . . A 6 VAL HG21 . 25700 1 54 . 1 1 6 6 VAL HG22 H 1 0.640 0.05 . . . . . A 6 VAL HG22 . 25700 1 55 . 1 1 6 6 VAL HG23 H 1 0.640 0.05 . . . . . A 6 VAL HG23 . 25700 1 56 . 1 1 6 6 VAL C C 13 174.211 0.5 . . . . . A 6 VAL C . 25700 1 57 . 1 1 6 6 VAL CA C 13 61.540 0.5 . . . . . A 6 VAL CA . 25700 1 58 . 1 1 6 6 VAL CB C 13 32.618 0.5 . . . . . A 6 VAL CB . 25700 1 59 . 1 1 6 6 VAL CG1 C 13 22.180 0.5 . . . . . A 6 VAL CG1 . 25700 1 60 . 1 1 6 6 VAL CG2 C 13 22.060 0.5 . . . . . A 6 VAL CG2 . 25700 1 61 . 1 1 6 6 VAL N N 15 120.471 0.5 . . . . . A 6 VAL N . 25700 1 62 . 1 1 7 7 GLU H H 1 8.820 0.05 . . . . . A 7 GLU H . 25700 1 63 . 1 1 7 7 GLU HA H 1 4.548 0.05 . . . . . A 7 GLU HA . 25700 1 64 . 1 1 7 7 GLU HB2 H 1 1.700 0.05 . . . . . A 7 GLU HB2 . 25700 1 65 . 1 1 7 7 GLU HB3 H 1 1.807 0.05 . . . . . A 7 GLU HB3 . 25700 1 66 . 1 1 7 7 GLU HG2 H 1 1.984 0.05 . . . . . A 7 GLU HG2 . 25700 1 67 . 1 1 7 7 GLU HG3 H 1 2.018 0.05 . . . . . A 7 GLU HG3 . 25700 1 68 . 1 1 7 7 GLU C C 13 174.194 0.5 . . . . . A 7 GLU C . 25700 1 69 . 1 1 7 7 GLU CA C 13 54.524 0.5 . . . . . A 7 GLU CA . 25700 1 70 . 1 1 7 7 GLU CB C 13 33.291 0.5 . . . . . A 7 GLU CB . 25700 1 71 . 1 1 7 7 GLU CG C 13 36.142 0.5 . . . . . A 7 GLU CG . 25700 1 72 . 1 1 7 7 GLU N N 15 125.816 0.5 . . . . . A 7 GLU N . 25700 1 73 . 1 1 8 8 ALA H H 1 8.410 0.05 . . . . . A 8 ALA H . 25700 1 74 . 1 1 8 8 ALA HA H 1 5.238 0.05 . . . . . A 8 ALA HA . 25700 1 75 . 1 1 8 8 ALA HB1 H 1 0.925 0.05 . . . . . A 8 ALA HB1 . 25700 1 76 . 1 1 8 8 ALA HB2 H 1 0.925 0.05 . . . . . A 8 ALA HB2 . 25700 1 77 . 1 1 8 8 ALA HB3 H 1 0.925 0.05 . . . . . A 8 ALA HB3 . 25700 1 78 . 1 1 8 8 ALA C C 13 175.557 0.5 . . . . . A 8 ALA C . 25700 1 79 . 1 1 8 8 ALA CA C 13 49.950 0.5 . . . . . A 8 ALA CA . 25700 1 80 . 1 1 8 8 ALA CB C 13 22.730 0.5 . . . . . A 8 ALA CB . 25700 1 81 . 1 1 8 8 ALA N N 15 122.882 0.5 . . . . . A 8 ALA N . 25700 1 82 . 1 1 9 9 ALA H H 1 8.407 0.05 . . . . . A 9 ALA H . 25700 1 83 . 1 1 9 9 ALA HA H 1 4.691 0.05 . . . . . A 9 ALA HA . 25700 1 84 . 1 1 9 9 ALA HB1 H 1 1.200 0.05 . . . . . A 9 ALA HB1 . 25700 1 85 . 1 1 9 9 ALA HB2 H 1 1.200 0.05 . . . . . A 9 ALA HB2 . 25700 1 86 . 1 1 9 9 ALA HB3 H 1 1.200 0.05 . . . . . A 9 ALA HB3 . 25700 1 87 . 1 1 9 9 ALA C C 13 176.300 0.5 . . . . . A 9 ALA C . 25700 1 88 . 1 1 9 9 ALA CA C 13 50.825 0.5 . . . . . A 9 ALA CA . 25700 1 89 . 1 1 9 9 ALA CB C 13 21.240 0.5 . . . . . A 9 ALA CB . 25700 1 90 . 1 1 9 9 ALA N N 15 124.110 0.5 . . . . . A 9 ALA N . 25700 1 91 . 1 1 10 10 VAL H H 1 8.860 0.05 . . . . . A 10 VAL H . 25700 1 92 . 1 1 10 10 VAL HA H 1 4.379 0.05 . . . . . A 10 VAL HA . 25700 1 93 . 1 1 10 10 VAL HB H 1 1.564 0.05 . . . . . A 10 VAL HB . 25700 1 94 . 1 1 10 10 VAL HG11 H 1 0.111 0.05 . . . . . A 10 VAL HG11 . 25700 1 95 . 1 1 10 10 VAL HG12 H 1 0.111 0.05 . . . . . A 10 VAL HG12 . 25700 1 96 . 1 1 10 10 VAL HG13 H 1 0.111 0.05 . . . . . A 10 VAL HG13 . 25700 1 97 . 1 1 10 10 VAL HG21 H 1 0.111 0.05 . . . . . A 10 VAL HG21 . 25700 1 98 . 1 1 10 10 VAL HG22 H 1 0.111 0.05 . . . . . A 10 VAL HG22 . 25700 1 99 . 1 1 10 10 VAL HG23 H 1 0.111 0.05 . . . . . A 10 VAL HG23 . 25700 1 100 . 1 1 10 10 VAL C C 13 175.717 0.5 . . . . . A 10 VAL C . 25700 1 101 . 1 1 10 10 VAL CA C 13 61.580 0.5 . . . . . A 10 VAL CA . 25700 1 102 . 1 1 10 10 VAL CB C 13 32.209 0.5 . . . . . A 10 VAL CB . 25700 1 103 . 1 1 10 10 VAL CG1 C 13 20.630 0.5 . . . . . A 10 VAL CG1 . 25700 1 104 . 1 1 10 10 VAL CG2 C 13 20.890 0.5 . . . . . A 10 VAL CG2 . 25700 1 105 . 1 1 10 10 VAL N N 15 126.780 0.5 . . . . . A 10 VAL N . 25700 1 106 . 1 1 11 11 SER H H 1 8.478 0.05 . . . . . A 11 SER H . 25700 1 107 . 1 1 11 11 SER HA H 1 4.448 0.05 . . . . . A 11 SER HA . 25700 1 108 . 1 1 11 11 SER HB2 H 1 3.637 0.05 . . . . . A 11 SER HB2 . 25700 1 109 . 1 1 11 11 SER HB3 H 1 3.643 0.05 . . . . . A 11 SER HB3 . 25700 1 110 . 1 1 11 11 SER C C 13 175.498 0.5 . . . . . A 11 SER C . 25700 1 111 . 1 1 11 11 SER CA C 13 57.590 0.5 . . . . . A 11 SER CA . 25700 1 112 . 1 1 11 11 SER CB C 13 64.000 0.5 . . . . . A 11 SER CB . 25700 1 113 . 1 1 11 11 SER N N 15 120.868 0.5 . . . . . A 11 SER N . 25700 1 114 . 1 1 12 12 GLY H H 1 9.120 0.05 . . . . . A 12 GLY H . 25700 1 115 . 1 1 12 12 GLY HA2 H 1 3.800 0.05 . . . . . A 12 GLY HA2 . 25700 1 116 . 1 1 12 12 GLY HA3 H 1 3.860 0.05 . . . . . A 12 GLY HA3 . 25700 1 117 . 1 1 12 12 GLY C C 13 174.994 0.5 . . . . . A 12 GLY C . 25700 1 118 . 1 1 12 12 GLY CA C 13 47.515 0.5 . . . . . A 12 GLY CA . 25700 1 119 . 1 1 12 12 GLY N N 15 116.896 0.5 . . . . . A 12 GLY N . 25700 1 120 . 1 1 13 13 GLY H H 1 8.816 0.05 . . . . . A 13 GLY H . 25700 1 121 . 1 1 13 13 GLY HA2 H 1 4.010 0.05 . . . . . A 13 GLY HA2 . 25700 1 122 . 1 1 13 13 GLY HA3 H 1 3.910 0.05 . . . . . A 13 GLY HA3 . 25700 1 123 . 1 1 13 13 GLY C C 13 174.440 0.5 . . . . . A 13 GLY C . 25700 1 124 . 1 1 13 13 GLY CA C 13 45.383 0.5 . . . . . A 13 GLY CA . 25700 1 125 . 1 1 13 13 GLY N N 15 108.984 0.5 . . . . . A 13 GLY N . 25700 1 126 . 1 1 14 14 HIS H H 1 8.084 0.05 . . . . . A 14 HIS H . 25700 1 127 . 1 1 14 14 HIS HA H 1 5.458 0.05 . . . . . A 14 HIS HA . 25700 1 128 . 1 1 14 14 HIS HB2 H 1 3.031 0.05 . . . . . A 14 HIS HB2 . 25700 1 129 . 1 1 14 14 HIS HB3 H 1 3.031 0.05 . . . . . A 14 HIS HB3 . 25700 1 130 . 1 1 14 14 HIS C C 13 172.243 0.5 . . . . . A 14 HIS C . 25700 1 131 . 1 1 14 14 HIS CA C 13 54.905 0.5 . . . . . A 14 HIS CA . 25700 1 132 . 1 1 14 14 HIS CB C 13 32.311 0.5 . . . . . A 14 HIS CB . 25700 1 133 . 1 1 14 14 HIS N N 15 118.737 0.5 . . . . . A 14 HIS N . 25700 1 134 . 1 1 15 15 VAL H H 1 9.369 0.05 . . . . . A 15 VAL H . 25700 1 135 . 1 1 15 15 VAL HA H 1 4.932 0.05 . . . . . A 15 VAL HA . 25700 1 136 . 1 1 15 15 VAL HB H 1 1.520 0.05 . . . . . A 15 VAL HB . 25700 1 137 . 1 1 15 15 VAL HG11 H 1 0.429 0.05 . . . . . A 15 VAL HG11 . 25700 1 138 . 1 1 15 15 VAL HG12 H 1 0.429 0.05 . . . . . A 15 VAL HG12 . 25700 1 139 . 1 1 15 15 VAL HG13 H 1 0.429 0.05 . . . . . A 15 VAL HG13 . 25700 1 140 . 1 1 15 15 VAL HG21 H 1 0.409 0.05 . . . . . A 15 VAL HG21 . 25700 1 141 . 1 1 15 15 VAL HG22 H 1 0.409 0.05 . . . . . A 15 VAL HG22 . 25700 1 142 . 1 1 15 15 VAL HG23 H 1 0.409 0.05 . . . . . A 15 VAL HG23 . 25700 1 143 . 1 1 15 15 VAL C C 13 172.314 0.5 . . . . . A 15 VAL C . 25700 1 144 . 1 1 15 15 VAL CA C 13 58.540 0.5 . . . . . A 15 VAL CA . 25700 1 145 . 1 1 15 15 VAL CB C 13 34.285 0.5 . . . . . A 15 VAL CB . 25700 1 146 . 1 1 15 15 VAL CG1 C 13 19.180 0.5 . . . . . A 15 VAL CG1 . 25700 1 147 . 1 1 15 15 VAL CG2 C 13 21.690 0.5 . . . . . A 15 VAL CG2 . 25700 1 148 . 1 1 15 15 VAL N N 15 120.204 0.5 . . . . . A 15 VAL N . 25700 1 149 . 1 1 16 16 THR H H 1 8.604 0.05 . . . . . A 16 THR H . 25700 1 150 . 1 1 16 16 THR HA H 1 5.220 0.05 . . . . . A 16 THR HA . 25700 1 151 . 1 1 16 16 THR HB H 1 3.825 0.05 . . . . . A 16 THR HB . 25700 1 152 . 1 1 16 16 THR HG21 H 1 0.943 0.05 . . . . . A 16 THR HG21 . 25700 1 153 . 1 1 16 16 THR HG22 H 1 0.943 0.05 . . . . . A 16 THR HG22 . 25700 1 154 . 1 1 16 16 THR HG23 H 1 0.943 0.05 . . . . . A 16 THR HG23 . 25700 1 155 . 1 1 16 16 THR C C 13 174.478 0.5 . . . . . A 16 THR C . 25700 1 156 . 1 1 16 16 THR CA C 13 61.481 0.5 . . . . . A 16 THR CA . 25700 1 157 . 1 1 16 16 THR CB C 13 70.017 0.5 . . . . . A 16 THR CB . 25700 1 158 . 1 1 16 16 THR CG2 C 13 20.740 0.5 . . . . . A 16 THR CG2 . 25700 1 159 . 1 1 16 16 THR N N 15 123.685 0.5 . . . . . A 16 THR N . 25700 1 160 . 1 1 17 17 LEU H H 1 9.627 0.05 . . . . . A 17 LEU H . 25700 1 161 . 1 1 17 17 LEU HA H 1 5.407 0.05 . . . . . A 17 LEU HA . 25700 1 162 . 1 1 17 17 LEU HB2 H 1 1.520 0.05 . . . . . A 17 LEU HB2 . 25700 1 163 . 1 1 17 17 LEU HB3 H 1 1.170 0.05 . . . . . A 17 LEU HB3 . 25700 1 164 . 1 1 17 17 LEU HG H 1 1.452 0.05 . . . . . A 17 LEU HG . 25700 1 165 . 1 1 17 17 LEU HD11 H 1 0.670 0.05 . . . . . A 17 LEU HD11 . 25700 1 166 . 1 1 17 17 LEU HD12 H 1 0.670 0.05 . . . . . A 17 LEU HD12 . 25700 1 167 . 1 1 17 17 LEU HD13 H 1 0.670 0.05 . . . . . A 17 LEU HD13 . 25700 1 168 . 1 1 17 17 LEU HD21 H 1 0.740 0.05 . . . . . A 17 LEU HD21 . 25700 1 169 . 1 1 17 17 LEU HD22 H 1 0.740 0.05 . . . . . A 17 LEU HD22 . 25700 1 170 . 1 1 17 17 LEU HD23 H 1 0.740 0.05 . . . . . A 17 LEU HD23 . 25700 1 171 . 1 1 17 17 LEU C C 13 174.481 0.5 . . . . . A 17 LEU C . 25700 1 172 . 1 1 17 17 LEU CA C 13 53.999 0.5 . . . . . A 17 LEU CA . 25700 1 173 . 1 1 17 17 LEU CB C 13 44.108 0.5 . . . . . A 17 LEU CB . 25700 1 174 . 1 1 17 17 LEU CG C 13 28.547 0.5 . . . . . A 17 LEU CG . 25700 1 175 . 1 1 17 17 LEU CD1 C 13 27.045 0.5 . . . . . A 17 LEU CD1 . 25700 1 176 . 1 1 17 17 LEU CD2 C 13 27.045 0.5 . . . . . A 17 LEU CD2 . 25700 1 177 . 1 1 17 17 LEU N N 15 128.958 0.5 . . . . . A 17 LEU N . 25700 1 178 . 1 1 18 18 GLN H H 1 8.243 0.05 . . . . . A 18 GLN H . 25700 1 179 . 1 1 18 18 GLN HA H 1 4.465 0.05 . . . . . A 18 GLN HA . 25700 1 180 . 1 1 18 18 GLN HB2 H 1 1.700 0.05 . . . . . A 18 GLN HB2 . 25700 1 181 . 1 1 18 18 GLN HB3 H 1 1.900 0.05 . . . . . A 18 GLN HB3 . 25700 1 182 . 1 1 18 18 GLN HG2 H 1 1.850 0.05 . . . . . A 18 GLN HG2 . 25700 1 183 . 1 1 18 18 GLN HG3 H 1 1.860 0.05 . . . . . A 18 GLN HG3 . 25700 1 184 . 1 1 18 18 GLN C C 13 174.042 0.5 . . . . . A 18 GLN C . 25700 1 185 . 1 1 18 18 GLN CA C 13 53.725 0.5 . . . . . A 18 GLN CA . 25700 1 186 . 1 1 18 18 GLN CB C 13 31.767 0.5 . . . . . A 18 GLN CB . 25700 1 187 . 1 1 18 18 GLN CG C 13 32.132 0.5 . . . . . A 18 GLN CG . 25700 1 188 . 1 1 18 18 GLN N N 15 115.227 0.5 . . . . . A 18 GLN N . 25700 1 189 . 1 1 19 19 GLY H H 1 9.100 0.05 . . . . . A 19 GLY H . 25700 1 190 . 1 1 19 19 GLY HA2 H 1 3.185 0.05 . . . . . A 19 GLY HA2 . 25700 1 191 . 1 1 19 19 GLY HA3 H 1 4.700 0.05 . . . . . A 19 GLY HA3 . 25700 1 192 . 1 1 19 19 GLY C C 13 172.005 0.5 . . . . . A 19 GLY C . 25700 1 193 . 1 1 19 19 GLY CA C 13 44.485 0.5 . . . . . A 19 GLY CA . 25700 1 194 . 1 1 19 19 GLY N N 15 107.795 0.5 . . . . . A 19 GLY N . 25700 1 195 . 1 1 20 20 VAL H H 1 8.859 0.05 . . . . . A 20 VAL H . 25700 1 196 . 1 1 20 20 VAL HA H 1 4.634 0.05 . . . . . A 20 VAL HA . 25700 1 197 . 1 1 20 20 VAL HB H 1 1.656 0.05 . . . . . A 20 VAL HB . 25700 1 198 . 1 1 20 20 VAL HG11 H 1 0.560 0.05 . . . . . A 20 VAL HG11 . 25700 1 199 . 1 1 20 20 VAL HG12 H 1 0.560 0.05 . . . . . A 20 VAL HG12 . 25700 1 200 . 1 1 20 20 VAL HG13 H 1 0.560 0.05 . . . . . A 20 VAL HG13 . 25700 1 201 . 1 1 20 20 VAL HG21 H 1 0.600 0.05 . . . . . A 20 VAL HG21 . 25700 1 202 . 1 1 20 20 VAL HG22 H 1 0.600 0.05 . . . . . A 20 VAL HG22 . 25700 1 203 . 1 1 20 20 VAL HG23 H 1 0.600 0.05 . . . . . A 20 VAL HG23 . 25700 1 204 . 1 1 20 20 VAL C C 13 175.670 0.5 . . . . . A 20 VAL C . 25700 1 205 . 1 1 20 20 VAL CA C 13 61.380 0.5 . . . . . A 20 VAL CA . 25700 1 206 . 1 1 20 20 VAL CB C 13 33.990 0.5 . . . . . A 20 VAL CB . 25700 1 207 . 1 1 20 20 VAL CG1 C 13 21.330 0.5 . . . . . A 20 VAL CG1 . 25700 1 208 . 1 1 20 20 VAL CG2 C 13 20.202 0.5 . . . . . A 20 VAL CG2 . 25700 1 209 . 1 1 20 20 VAL N N 15 120.951 0.5 . . . . . A 20 VAL N . 25700 1 210 . 1 1 21 21 ILE H H 1 9.304 0.05 . . . . . A 21 ILE H . 25700 1 211 . 1 1 21 21 ILE HA H 1 4.443 0.05 . . . . . A 21 ILE HA . 25700 1 212 . 1 1 21 21 ILE HB H 1 1.070 0.05 . . . . . A 21 ILE HB . 25700 1 213 . 1 1 21 21 ILE HG12 H 1 0.300 0.05 . . . . . A 21 ILE HG12 . 25700 1 214 . 1 1 21 21 ILE HG13 H 1 0.279 0.05 . . . . . A 21 ILE HG13 . 25700 1 215 . 1 1 21 21 ILE HG21 H 1 0.344 0.05 . . . . . A 21 ILE HG21 . 25700 1 216 . 1 1 21 21 ILE HG22 H 1 0.344 0.05 . . . . . A 21 ILE HG22 . 25700 1 217 . 1 1 21 21 ILE HG23 H 1 0.344 0.05 . . . . . A 21 ILE HG23 . 25700 1 218 . 1 1 21 21 ILE HD11 H 1 -0.263 0.05 . . . . . A 21 ILE HD11 . 25700 1 219 . 1 1 21 21 ILE HD12 H 1 -0.263 0.05 . . . . . A 21 ILE HD12 . 25700 1 220 . 1 1 21 21 ILE HD13 H 1 -0.263 0.05 . . . . . A 21 ILE HD13 . 25700 1 221 . 1 1 21 21 ILE C C 13 174.567 0.5 . . . . . A 21 ILE C . 25700 1 222 . 1 1 21 21 ILE CA C 13 59.883 0.5 . . . . . A 21 ILE CA . 25700 1 223 . 1 1 21 21 ILE CB C 13 41.152 0.5 . . . . . A 21 ILE CB . 25700 1 224 . 1 1 21 21 ILE CG1 C 13 27.640 0.5 . . . . . A 21 ILE CG1 . 25700 1 225 . 1 1 21 21 ILE CG2 C 13 17.500 0.5 . . . . . A 21 ILE CG2 . 25700 1 226 . 1 1 21 21 ILE CD1 C 13 15.107 0.5 . . . . . A 21 ILE CD1 . 25700 1 227 . 1 1 21 21 ILE N N 15 129.511 0.5 . . . . . A 21 ILE N . 25700 1 228 . 1 1 22 22 THR H H 1 8.063 0.05 . . . . . A 22 THR H . 25700 1 229 . 1 1 22 22 THR HA H 1 4.479 0.05 . . . . . A 22 THR HA . 25700 1 230 . 1 1 22 22 THR HB H 1 3.652 0.05 . . . . . A 22 THR HB . 25700 1 231 . 1 1 22 22 THR HG21 H 1 0.800 0.05 . . . . . A 22 THR HG21 . 25700 1 232 . 1 1 22 22 THR HG22 H 1 0.800 0.05 . . . . . A 22 THR HG22 . 25700 1 233 . 1 1 22 22 THR HG23 H 1 0.800 0.05 . . . . . A 22 THR HG23 . 25700 1 234 . 1 1 22 22 THR C C 13 172.996 0.5 . . . . . A 22 THR C . 25700 1 235 . 1 1 22 22 THR CA C 13 61.647 0.5 . . . . . A 22 THR CA . 25700 1 236 . 1 1 22 22 THR CB C 13 70.230 0.5 . . . . . A 22 THR CB . 25700 1 237 . 1 1 22 22 THR CG2 C 13 20.535 0.5 . . . . . A 22 THR CG2 . 25700 1 238 . 1 1 22 22 THR N N 15 120.311 0.5 . . . . . A 22 THR N . 25700 1 239 . 1 1 23 23 ALA H H 1 9.764 0.05 . . . . . A 23 ALA H . 25700 1 240 . 1 1 23 23 ALA HA H 1 5.056 0.05 . . . . . A 23 ALA HA . 25700 1 241 . 1 1 23 23 ALA HB1 H 1 0.965 0.05 . . . . . A 23 ALA HB1 . 25700 1 242 . 1 1 23 23 ALA HB2 H 1 0.965 0.05 . . . . . A 23 ALA HB2 . 25700 1 243 . 1 1 23 23 ALA HB3 H 1 0.965 0.05 . . . . . A 23 ALA HB3 . 25700 1 244 . 1 1 23 23 ALA C C 13 177.722 0.5 . . . . . A 23 ALA C . 25700 1 245 . 1 1 23 23 ALA CA C 13 49.963 0.5 . . . . . A 23 ALA CA . 25700 1 246 . 1 1 23 23 ALA CB C 13 22.915 0.5 . . . . . A 23 ALA CB . 25700 1 247 . 1 1 23 23 ALA N N 15 104.959 0.5 . . . . . A 23 ALA N . 25700 1 248 . 1 1 24 24 VAL H H 1 8.239 0.05 . . . . . A 24 VAL H . 25700 1 249 . 1 1 24 24 VAL HA H 1 4.083 0.05 . . . . . A 24 VAL HA . 25700 1 250 . 1 1 24 24 VAL HB H 1 2.333 0.05 . . . . . A 24 VAL HB . 25700 1 251 . 1 1 24 24 VAL HG11 H 1 0.993 0.05 . . . . . A 24 VAL HG11 . 25700 1 252 . 1 1 24 24 VAL HG12 H 1 0.993 0.05 . . . . . A 24 VAL HG12 . 25700 1 253 . 1 1 24 24 VAL HG13 H 1 0.993 0.05 . . . . . A 24 VAL HG13 . 25700 1 254 . 1 1 24 24 VAL HG21 H 1 0.948 0.05 . . . . . A 24 VAL HG21 . 25700 1 255 . 1 1 24 24 VAL HG22 H 1 0.948 0.05 . . . . . A 24 VAL HG22 . 25700 1 256 . 1 1 24 24 VAL HG23 H 1 0.948 0.05 . . . . . A 24 VAL HG23 . 25700 1 257 . 1 1 24 24 VAL C C 13 174.539 0.5 . . . . . A 24 VAL C . 25700 1 258 . 1 1 24 24 VAL CA C 13 62.339 0.5 . . . . . A 24 VAL CA . 25700 1 259 . 1 1 24 24 VAL CB C 13 31.933 0.5 . . . . . A 24 VAL CB . 25700 1 260 . 1 1 24 24 VAL CG1 C 13 19.780 0.5 . . . . . A 24 VAL CG1 . 25700 1 261 . 1 1 24 24 VAL CG2 C 13 21.100 0.5 . . . . . A 24 VAL CG2 . 25700 1 262 . 1 1 24 24 VAL N N 15 113.370 0.5 . . . . . A 24 VAL N . 25700 1 263 . 1 1 25 25 ARG H H 1 7.308 0.05 . . . . . A 25 ARG H . 25700 1 264 . 1 1 25 25 ARG HA H 1 4.740 0.05 . . . . . A 25 ARG HA . 25700 1 265 . 1 1 25 25 ARG HB2 H 1 1.785 0.05 . . . . . A 25 ARG HB2 . 25700 1 266 . 1 1 25 25 ARG HB3 H 1 1.930 0.05 . . . . . A 25 ARG HB3 . 25700 1 267 . 1 1 25 25 ARG HG2 H 1 1.625 0.05 . . . . . A 25 ARG HG2 . 25700 1 268 . 1 1 25 25 ARG HG3 H 1 1.625 0.05 . . . . . A 25 ARG HG3 . 25700 1 269 . 1 1 25 25 ARG HD2 H 1 3.239 0.05 . . . . . A 25 ARG HD2 . 25700 1 270 . 1 1 25 25 ARG HD3 H 1 3.239 0.05 . . . . . A 25 ARG HD3 . 25700 1 271 . 1 1 25 25 ARG C C 13 172.797 0.5 . . . . . A 25 ARG C . 25700 1 272 . 1 1 25 25 ARG CA C 13 53.284 0.5 . . . . . A 25 ARG CA . 25700 1 273 . 1 1 25 25 ARG CB C 13 33.542 0.5 . . . . . A 25 ARG CB . 25700 1 274 . 1 1 25 25 ARG CG C 13 26.043 0.5 . . . . . A 25 ARG CG . 25700 1 275 . 1 1 25 25 ARG CD C 13 43.534 0.5 . . . . . A 25 ARG CD . 25700 1 276 . 1 1 25 25 ARG N N 15 116.002 0.5 . . . . . A 25 ARG N . 25700 1 277 . 1 1 26 26 ASP H H 1 8.301 0.05 . . . . . A 26 ASP H . 25700 1 278 . 1 1 26 26 ASP HA H 1 4.665 0.05 . . . . . A 26 ASP HA . 25700 1 279 . 1 1 26 26 ASP HB2 H 1 2.540 0.05 . . . . . A 26 ASP HB2 . 25700 1 280 . 1 1 26 26 ASP HB3 H 1 2.800 0.05 . . . . . A 26 ASP HB3 . 25700 1 281 . 1 1 26 26 ASP C C 13 177.721 0.5 . . . . . A 26 ASP C . 25700 1 282 . 1 1 26 26 ASP CA C 13 53.911 0.5 . . . . . A 26 ASP CA . 25700 1 283 . 1 1 26 26 ASP CB C 13 41.143 0.5 . . . . . A 26 ASP CB . 25700 1 284 . 1 1 26 26 ASP N N 15 118.075 0.5 . . . . . A 26 ASP N . 25700 1 285 . 1 1 27 27 GLY H H 1 8.276 0.05 . . . . . A 27 GLY H . 25700 1 286 . 1 1 27 27 GLY HA2 H 1 3.920 0.05 . . . . . A 27 GLY HA2 . 25700 1 287 . 1 1 27 27 GLY HA3 H 1 4.086 0.05 . . . . . A 27 GLY HA3 . 25700 1 288 . 1 1 27 27 GLY C C 13 170.472 0.5 . . . . . A 27 GLY C . 25700 1 289 . 1 1 27 27 GLY CA C 13 46.213 0.5 . . . . . A 27 GLY CA . 25700 1 290 . 1 1 27 27 GLY N N 15 106.966 0.5 . . . . . A 27 GLY N . 25700 1 291 . 1 1 28 28 ALA H H 1 8.065 0.05 . . . . . A 28 ALA H . 25700 1 292 . 1 1 28 28 ALA HA H 1 4.898 0.05 . . . . . A 28 ALA HA . 25700 1 293 . 1 1 28 28 ALA HB1 H 1 1.342 0.05 . . . . . A 28 ALA HB1 . 25700 1 294 . 1 1 28 28 ALA HB2 H 1 1.342 0.05 . . . . . A 28 ALA HB2 . 25700 1 295 . 1 1 28 28 ALA HB3 H 1 1.342 0.05 . . . . . A 28 ALA HB3 . 25700 1 296 . 1 1 28 28 ALA C C 13 176.720 0.5 . . . . . A 28 ALA C . 25700 1 297 . 1 1 28 28 ALA CA C 13 50.756 0.5 . . . . . A 28 ALA CA . 25700 1 298 . 1 1 28 28 ALA CB C 13 21.482 0.5 . . . . . A 28 ALA CB . 25700 1 299 . 1 1 28 28 ALA N N 15 122.805 0.5 . . . . . A 28 ALA N . 25700 1 300 . 1 1 29 29 GLY H H 1 7.654 0.05 . . . . . A 29 GLY H . 25700 1 301 . 1 1 29 29 GLY HA2 H 1 3.920 0.05 . . . . . A 29 GLY HA2 . 25700 1 302 . 1 1 29 29 GLY HA3 H 1 4.400 0.05 . . . . . A 29 GLY HA3 . 25700 1 303 . 1 1 29 29 GLY C C 13 172.866 0.5 . . . . . A 29 GLY C . 25700 1 304 . 1 1 29 29 GLY CA C 13 45.538 0.5 . . . . . A 29 GLY CA . 25700 1 305 . 1 1 29 29 GLY N N 15 106.538 0.5 . . . . . A 29 GLY N . 25700 1 306 . 1 1 30 30 SER H H 1 9.185 0.05 . . . . . A 30 SER H . 25700 1 307 . 1 1 30 30 SER HA H 1 5.564 0.05 . . . . . A 30 SER HA . 25700 1 308 . 1 1 30 30 SER HB2 H 1 3.870 0.05 . . . . . A 30 SER HB2 . 25700 1 309 . 1 1 30 30 SER HB3 H 1 3.960 0.05 . . . . . A 30 SER HB3 . 25700 1 310 . 1 1 30 30 SER C C 13 172.216 0.5 . . . . . A 30 SER C . 25700 1 311 . 1 1 30 30 SER CA C 13 57.505 0.5 . . . . . A 30 SER CA . 25700 1 312 . 1 1 30 30 SER CB C 13 66.321 0.5 . . . . . A 30 SER CB . 25700 1 313 . 1 1 30 30 SER N N 15 116.216 0.5 . . . . . A 30 SER N . 25700 1 314 . 1 1 31 31 TYR H H 1 9.215 0.05 . . . . . A 31 TYR H . 25700 1 315 . 1 1 31 31 TYR HA H 1 6.035 0.05 . . . . . A 31 TYR HA . 25700 1 316 . 1 1 31 31 TYR HB2 H 1 2.610 0.05 . . . . . A 31 TYR HB2 . 25700 1 317 . 1 1 31 31 TYR HB3 H 1 2.977 0.05 . . . . . A 31 TYR HB3 . 25700 1 318 . 1 1 31 31 TYR HD2 H 1 6.949 0.05 . . . . . A 31 TYR HD2 . 25700 1 319 . 1 1 31 31 TYR HE2 H 1 6.868 0.05 . . . . . A 31 TYR HE2 . 25700 1 320 . 1 1 31 31 TYR C C 13 174.138 0.5 . . . . . A 31 TYR C . 25700 1 321 . 1 1 31 31 TYR CA C 13 55.806 0.5 . . . . . A 31 TYR CA . 25700 1 322 . 1 1 31 31 TYR CB C 13 43.091 0.5 . . . . . A 31 TYR CB . 25700 1 323 . 1 1 31 31 TYR CD2 C 13 132.081 0.5 . . . . . A 31 TYR CD2 . 25700 1 324 . 1 1 31 31 TYR CE2 C 13 118.554 0.5 . . . . . A 31 TYR CE2 . 25700 1 325 . 1 1 31 31 TYR N N 15 118.467 0.5 . . . . . A 31 TYR N . 25700 1 326 . 1 1 32 32 LYS H H 1 8.904 0.05 . . . . . A 32 LYS H . 25700 1 327 . 1 1 32 32 LYS HA H 1 4.772 0.05 . . . . . A 32 LYS HA . 25700 1 328 . 1 1 32 32 LYS HB2 H 1 1.820 0.05 . . . . . A 32 LYS HB2 . 25700 1 329 . 1 1 32 32 LYS HB3 H 1 1.950 0.05 . . . . . A 32 LYS HB3 . 25700 1 330 . 1 1 32 32 LYS HG2 H 1 1.350 0.05 . . . . . A 32 LYS HG2 . 25700 1 331 . 1 1 32 32 LYS HG3 H 1 1.400 0.05 . . . . . A 32 LYS HG3 . 25700 1 332 . 1 1 32 32 LYS HD2 H 1 1.642 0.05 . . . . . A 32 LYS HD2 . 25700 1 333 . 1 1 32 32 LYS HD3 H 1 1.642 0.05 . . . . . A 32 LYS HD3 . 25700 1 334 . 1 1 32 32 LYS HE2 H 1 2.889 0.05 . . . . . A 32 LYS HE2 . 25700 1 335 . 1 1 32 32 LYS HE3 H 1 2.890 0.05 . . . . . A 32 LYS HE3 . 25700 1 336 . 1 1 32 32 LYS C C 13 173.750 0.5 . . . . . A 32 LYS C . 25700 1 337 . 1 1 32 32 LYS CA C 13 56.495 0.5 . . . . . A 32 LYS CA . 25700 1 338 . 1 1 32 32 LYS CB C 13 35.800 0.5 . . . . . A 32 LYS CB . 25700 1 339 . 1 1 32 32 LYS CG C 13 24.852 0.5 . . . . . A 32 LYS CG . 25700 1 340 . 1 1 32 32 LYS CD C 13 29.422 0.5 . . . . . A 32 LYS CD . 25700 1 341 . 1 1 32 32 LYS CE C 13 41.931 0.5 . . . . . A 32 LYS CE . 25700 1 342 . 1 1 32 32 LYS N N 15 121.086 0.5 . . . . . A 32 LYS N . 25700 1 343 . 1 1 33 33 LEU H H 1 9.663 0.05 . . . . . A 33 LEU H . 25700 1 344 . 1 1 33 33 LEU HA H 1 5.329 0.05 . . . . . A 33 LEU HA . 25700 1 345 . 1 1 33 33 LEU HB2 H 1 1.270 0.05 . . . . . A 33 LEU HB2 . 25700 1 346 . 1 1 33 33 LEU HB3 H 1 2.050 0.05 . . . . . A 33 LEU HB3 . 25700 1 347 . 1 1 33 33 LEU HD11 H 1 0.707 0.05 . . . . . A 33 LEU HD11 . 25700 1 348 . 1 1 33 33 LEU HD12 H 1 0.707 0.05 . . . . . A 33 LEU HD12 . 25700 1 349 . 1 1 33 33 LEU HD13 H 1 0.707 0.05 . . . . . A 33 LEU HD13 . 25700 1 350 . 1 1 33 33 LEU HD21 H 1 0.694 0.05 . . . . . A 33 LEU HD21 . 25700 1 351 . 1 1 33 33 LEU HD22 H 1 0.694 0.05 . . . . . A 33 LEU HD22 . 25700 1 352 . 1 1 33 33 LEU HD23 H 1 0.694 0.05 . . . . . A 33 LEU HD23 . 25700 1 353 . 1 1 33 33 LEU C C 13 173.389 0.5 . . . . . A 33 LEU C . 25700 1 354 . 1 1 33 33 LEU CA C 13 53.547 0.5 . . . . . A 33 LEU CA . 25700 1 355 . 1 1 33 33 LEU CB C 13 45.460 0.5 . . . . . A 33 LEU CB . 25700 1 356 . 1 1 33 33 LEU CG C 13 26.501 0.5 . . . . . A 33 LEU CG . 25700 1 357 . 1 1 33 33 LEU CD1 C 13 22.612 0.5 . . . . . A 33 LEU CD1 . 25700 1 358 . 1 1 33 33 LEU CD2 C 13 22.645 0.5 . . . . . A 33 LEU CD2 . 25700 1 359 . 1 1 33 33 LEU N N 15 128.296 0.5 . . . . . A 33 LEU N . 25700 1 360 . 1 1 34 34 ALA H H 1 9.044 0.05 . . . . . A 34 ALA H . 25700 1 361 . 1 1 34 34 ALA HA H 1 5.419 0.05 . . . . . A 34 ALA HA . 25700 1 362 . 1 1 34 34 ALA HB1 H 1 1.341 0.05 . . . . . A 34 ALA HB1 . 25700 1 363 . 1 1 34 34 ALA HB2 H 1 1.341 0.05 . . . . . A 34 ALA HB2 . 25700 1 364 . 1 1 34 34 ALA HB3 H 1 1.341 0.05 . . . . . A 34 ALA HB3 . 25700 1 365 . 1 1 34 34 ALA C C 13 176.313 0.5 . . . . . A 34 ALA C . 25700 1 366 . 1 1 34 34 ALA CA C 13 50.605 0.5 . . . . . A 34 ALA CA . 25700 1 367 . 1 1 34 34 ALA CB C 13 21.237 0.5 . . . . . A 34 ALA CB . 25700 1 368 . 1 1 34 34 ALA N N 15 129.791 0.5 . . . . . A 34 ALA N . 25700 1 369 . 1 1 35 35 VAL H H 1 9.332 0.05 . . . . . A 35 VAL H . 25700 1 370 . 1 1 35 35 VAL HA H 1 4.844 0.05 . . . . . A 35 VAL HA . 25700 1 371 . 1 1 35 35 VAL HB H 1 2.005 0.05 . . . . . A 35 VAL HB . 25700 1 372 . 1 1 35 35 VAL HG11 H 1 0.840 0.05 . . . . . A 35 VAL HG11 . 25700 1 373 . 1 1 35 35 VAL HG12 H 1 0.840 0.05 . . . . . A 35 VAL HG12 . 25700 1 374 . 1 1 35 35 VAL HG13 H 1 0.840 0.05 . . . . . A 35 VAL HG13 . 25700 1 375 . 1 1 35 35 VAL HG21 H 1 0.932 0.05 . . . . . A 35 VAL HG21 . 25700 1 376 . 1 1 35 35 VAL HG22 H 1 0.932 0.05 . . . . . A 35 VAL HG22 . 25700 1 377 . 1 1 35 35 VAL HG23 H 1 0.932 0.05 . . . . . A 35 VAL HG23 . 25700 1 378 . 1 1 35 35 VAL C C 13 173.511 0.5 . . . . . A 35 VAL C . 25700 1 379 . 1 1 35 35 VAL CA C 13 61.113 0.5 . . . . . A 35 VAL CA . 25700 1 380 . 1 1 35 35 VAL CB C 13 35.152 0.5 . . . . . A 35 VAL CB . 25700 1 381 . 1 1 35 35 VAL CG1 C 13 21.090 0.5 . . . . . A 35 VAL CG1 . 25700 1 382 . 1 1 35 35 VAL CG2 C 13 21.800 0.5 . . . . . A 35 VAL CG2 . 25700 1 383 . 1 1 35 35 VAL N N 15 124.532 0.5 . . . . . A 35 VAL N . 25700 1 384 . 1 1 36 36 ASP H H 1 9.169 0.05 . . . . . A 36 ASP H . 25700 1 385 . 1 1 36 36 ASP HA H 1 5.560 0.05 . . . . . A 36 ASP HA . 25700 1 386 . 1 1 36 36 ASP HB2 H 1 2.380 0.05 . . . . . A 36 ASP HB2 . 25700 1 387 . 1 1 36 36 ASP HB3 H 1 2.420 0.05 . . . . . A 36 ASP HB3 . 25700 1 388 . 1 1 36 36 ASP C C 13 174.146 0.5 . . . . . A 36 ASP C . 25700 1 389 . 1 1 36 36 ASP CA C 13 53.219 0.5 . . . . . A 36 ASP CA . 25700 1 390 . 1 1 36 36 ASP CB C 13 44.387 0.5 . . . . . A 36 ASP CB . 25700 1 391 . 1 1 36 36 ASP N N 15 127.077 0.5 . . . . . A 36 ASP N . 25700 1 392 . 1 1 37 37 LYS H H 1 8.665 0.05 . . . . . A 37 LYS H . 25700 1 393 . 1 1 37 37 LYS HA H 1 4.673 0.05 . . . . . A 37 LYS HA . 25700 1 394 . 1 1 37 37 LYS HB2 H 1 1.717 0.05 . . . . . A 37 LYS HB2 . 25700 1 395 . 1 1 37 37 LYS HB3 H 1 1.460 0.05 . . . . . A 37 LYS HB3 . 25700 1 396 . 1 1 37 37 LYS HG2 H 1 0.840 0.05 . . . . . A 37 LYS HG2 . 25700 1 397 . 1 1 37 37 LYS HG3 H 1 1.047 0.05 . . . . . A 37 LYS HG3 . 25700 1 398 . 1 1 37 37 LYS HD2 H 1 1.540 0.05 . . . . . A 37 LYS HD2 . 25700 1 399 . 1 1 37 37 LYS HD3 H 1 1.660 0.05 . . . . . A 37 LYS HD3 . 25700 1 400 . 1 1 37 37 LYS HE2 H 1 2.841 0.05 . . . . . A 37 LYS HE2 . 25700 1 401 . 1 1 37 37 LYS HE3 H 1 2.841 0.05 . . . . . A 37 LYS HE3 . 25700 1 402 . 1 1 37 37 LYS C C 13 173.710 0.5 . . . . . A 37 LYS C . 25700 1 403 . 1 1 37 37 LYS CA C 13 54.410 0.5 . . . . . A 37 LYS CA . 25700 1 404 . 1 1 37 37 LYS CB C 13 34.907 0.5 . . . . . A 37 LYS CB . 25700 1 405 . 1 1 37 37 LYS CG C 13 24.442 0.5 . . . . . A 37 LYS CG . 25700 1 406 . 1 1 37 37 LYS CD C 13 29.651 0.5 . . . . . A 37 LYS CD . 25700 1 407 . 1 1 37 37 LYS CE C 13 41.480 0.5 . . . . . A 37 LYS CE . 25700 1 408 . 1 1 37 37 LYS N N 15 122.568 0.5 . . . . . A 37 LYS N . 25700 1 409 . 1 1 38 38 ALA H H 1 8.798 0.05 . . . . . A 38 ALA H . 25700 1 410 . 1 1 38 38 ALA HA H 1 4.983 0.05 . . . . . A 38 ALA HA . 25700 1 411 . 1 1 38 38 ALA HB1 H 1 1.269 0.05 . . . . . A 38 ALA HB1 . 25700 1 412 . 1 1 38 38 ALA HB2 H 1 1.269 0.05 . . . . . A 38 ALA HB2 . 25700 1 413 . 1 1 38 38 ALA HB3 H 1 1.269 0.05 . . . . . A 38 ALA HB3 . 25700 1 414 . 1 1 38 38 ALA C C 13 176.141 0.5 . . . . . A 38 ALA C . 25700 1 415 . 1 1 38 38 ALA CA C 13 51.093 0.5 . . . . . A 38 ALA CA . 25700 1 416 . 1 1 38 38 ALA CB C 13 21.778 0.5 . . . . . A 38 ALA CB . 25700 1 417 . 1 1 38 38 ALA N N 15 130.221 0.5 . . . . . A 38 ALA N . 25700 1 418 . 1 1 39 39 GLY H H 1 7.851 0.05 . . . . . A 39 GLY H . 25700 1 419 . 1 1 39 39 GLY HA2 H 1 4.090 0.05 . . . . . A 39 GLY HA2 . 25700 1 420 . 1 1 39 39 GLY HA3 H 1 4.284 0.05 . . . . . A 39 GLY HA3 . 25700 1 421 . 1 1 39 39 GLY C C 13 174.208 0.5 . . . . . A 39 GLY C . 25700 1 422 . 1 1 39 39 GLY CA C 13 44.645 0.5 . . . . . A 39 GLY CA . 25700 1 423 . 1 1 39 39 GLY N N 15 109.328 0.5 . . . . . A 39 GLY N . 25700 1 424 . 1 1 40 40 ALA H H 1 8.766 0.05 . . . . . A 40 ALA H . 25700 1 425 . 1 1 40 40 ALA HA H 1 4.051 0.05 . . . . . A 40 ALA HA . 25700 1 426 . 1 1 40 40 ALA HB1 H 1 1.360 0.05 . . . . . A 40 ALA HB1 . 25700 1 427 . 1 1 40 40 ALA HB2 H 1 1.360 0.05 . . . . . A 40 ALA HB2 . 25700 1 428 . 1 1 40 40 ALA HB3 H 1 1.360 0.05 . . . . . A 40 ALA HB3 . 25700 1 429 . 1 1 40 40 ALA C C 13 178.917 0.5 . . . . . A 40 ALA C . 25700 1 430 . 1 1 40 40 ALA CA C 13 54.841 0.5 . . . . . A 40 ALA CA . 25700 1 431 . 1 1 40 40 ALA CB C 13 18.293 0.5 . . . . . A 40 ALA CB . 25700 1 432 . 1 1 40 40 ALA N N 15 125.088 0.5 . . . . . A 40 ALA N . 25700 1 433 . 1 1 41 41 ALA H H 1 8.300 0.05 . . . . . A 41 ALA H . 25700 1 434 . 1 1 41 41 ALA HA H 1 4.419 0.05 . . . . . A 41 ALA HA . 25700 1 435 . 1 1 41 41 ALA HB1 H 1 1.327 0.05 . . . . . A 41 ALA HB1 . 25700 1 436 . 1 1 41 41 ALA HB2 H 1 1.327 0.05 . . . . . A 41 ALA HB2 . 25700 1 437 . 1 1 41 41 ALA HB3 H 1 1.327 0.05 . . . . . A 41 ALA HB3 . 25700 1 438 . 1 1 41 41 ALA C C 13 177.136 0.5 . . . . . A 41 ALA C . 25700 1 439 . 1 1 41 41 ALA CA C 13 51.929 0.5 . . . . . A 41 ALA CA . 25700 1 440 . 1 1 41 41 ALA CB C 13 18.774 0.5 . . . . . A 41 ALA CB . 25700 1 441 . 1 1 41 41 ALA N N 15 117.569 0.5 . . . . . A 41 ALA N . 25700 1 442 . 1 1 42 42 GLY H H 1 7.577 0.05 . . . . . A 42 GLY H . 25700 1 443 . 1 1 42 42 GLY HA2 H 1 3.810 0.05 . . . . . A 42 GLY HA2 . 25700 1 444 . 1 1 42 42 GLY HA3 H 1 4.482 0.05 . . . . . A 42 GLY HA3 . 25700 1 445 . 1 1 42 42 GLY C C 13 173.379 0.5 . . . . . A 42 GLY C . 25700 1 446 . 1 1 42 42 GLY CA C 13 44.336 0.5 . . . . . A 42 GLY CA . 25700 1 447 . 1 1 42 42 GLY N N 15 106.796 0.5 . . . . . A 42 GLY N . 25700 1 448 . 1 1 43 43 THR H H 1 8.526 0.05 . . . . . A 43 THR H . 25700 1 449 . 1 1 43 43 THR HA H 1 5.263 0.05 . . . . . A 43 THR HA . 25700 1 450 . 1 1 43 43 THR HB H 1 4.001 0.05 . . . . . A 43 THR HB . 25700 1 451 . 1 1 43 43 THR HG21 H 1 1.109 0.05 . . . . . A 43 THR HG21 . 25700 1 452 . 1 1 43 43 THR HG22 H 1 1.109 0.05 . . . . . A 43 THR HG22 . 25700 1 453 . 1 1 43 43 THR HG23 H 1 1.109 0.05 . . . . . A 43 THR HG23 . 25700 1 454 . 1 1 43 43 THR C C 13 174.244 0.5 . . . . . A 43 THR C . 25700 1 455 . 1 1 43 43 THR CA C 13 61.137 0.5 . . . . . A 43 THR CA . 25700 1 456 . 1 1 43 43 THR CB C 13 70.759 0.5 . . . . . A 43 THR CB . 25700 1 457 . 1 1 43 43 THR CG2 C 13 21.227 0.5 . . . . . A 43 THR CG2 . 25700 1 458 . 1 1 43 43 THR N N 15 116.541 0.5 . . . . . A 43 THR N . 25700 1 459 . 1 1 44 44 SER H H 1 8.904 0.05 . . . . . A 44 SER H . 25700 1 460 . 1 1 44 44 SER HA H 1 4.759 0.05 . . . . . A 44 SER HA . 25700 1 461 . 1 1 44 44 SER HB2 H 1 3.714 0.05 . . . . . A 44 SER HB2 . 25700 1 462 . 1 1 44 44 SER HB3 H 1 3.824 0.05 . . . . . A 44 SER HB3 . 25700 1 463 . 1 1 44 44 SER C C 13 172.241 0.5 . . . . . A 44 SER C . 25700 1 464 . 1 1 44 44 SER CA C 13 57.340 0.5 . . . . . A 44 SER CA . 25700 1 465 . 1 1 44 44 SER CB C 13 65.568 0.5 . . . . . A 44 SER CB . 25700 1 466 . 1 1 44 44 SER N N 15 120.903 0.5 . . . . . A 44 SER N . 25700 1 467 . 1 1 45 45 ARG H H 1 8.579 0.05 . . . . . A 45 ARG H . 25700 1 468 . 1 1 45 45 ARG HA H 1 5.489 0.05 . . . . . A 45 ARG HA . 25700 1 469 . 1 1 45 45 ARG HB2 H 1 1.770 0.05 . . . . . A 45 ARG HB2 . 25700 1 470 . 1 1 45 45 ARG HB3 H 1 1.599 0.05 . . . . . A 45 ARG HB3 . 25700 1 471 . 1 1 45 45 ARG HG2 H 1 1.475 0.05 . . . . . A 45 ARG HG2 . 25700 1 472 . 1 1 45 45 ARG HG3 H 1 1.475 0.05 . . . . . A 45 ARG HG3 . 25700 1 473 . 1 1 45 45 ARG HD2 H 1 3.070 0.05 . . . . . A 45 ARG HD2 . 25700 1 474 . 1 1 45 45 ARG HD3 H 1 3.150 0.05 . . . . . A 45 ARG HD3 . 25700 1 475 . 1 1 45 45 ARG C C 13 175.520 0.5 . . . . . A 45 ARG C . 25700 1 476 . 1 1 45 45 ARG CA C 13 55.101 0.5 . . . . . A 45 ARG CA . 25700 1 477 . 1 1 45 45 ARG CB C 13 32.760 0.5 . . . . . A 45 ARG CB . 25700 1 478 . 1 1 45 45 ARG CG C 13 27.015 0.5 . . . . . A 45 ARG CG . 25700 1 479 . 1 1 45 45 ARG CD C 13 43.316 0.5 . . . . . A 45 ARG CD . 25700 1 480 . 1 1 45 45 ARG N N 15 124.546 0.5 . . . . . A 45 ARG N . 25700 1 481 . 1 1 46 46 ILE H H 1 9.344 0.05 . . . . . A 46 ILE H . 25700 1 482 . 1 1 46 46 ILE HA H 1 4.460 0.05 . . . . . A 46 ILE HA . 25700 1 483 . 1 1 46 46 ILE HB H 1 1.703 0.05 . . . . . A 46 ILE HB . 25700 1 484 . 1 1 46 46 ILE HG12 H 1 1.280 0.05 . . . . . A 46 ILE HG12 . 25700 1 485 . 1 1 46 46 ILE HG13 H 1 1.485 0.05 . . . . . A 46 ILE HG13 . 25700 1 486 . 1 1 46 46 ILE HG21 H 1 0.960 0.05 . . . . . A 46 ILE HG21 . 25700 1 487 . 1 1 46 46 ILE HG22 H 1 0.960 0.05 . . . . . A 46 ILE HG22 . 25700 1 488 . 1 1 46 46 ILE HG23 H 1 0.960 0.05 . . . . . A 46 ILE HG23 . 25700 1 489 . 1 1 46 46 ILE HD11 H 1 0.878 0.05 . . . . . A 46 ILE HD11 . 25700 1 490 . 1 1 46 46 ILE HD12 H 1 0.878 0.05 . . . . . A 46 ILE HD12 . 25700 1 491 . 1 1 46 46 ILE HD13 H 1 0.878 0.05 . . . . . A 46 ILE HD13 . 25700 1 492 . 1 1 46 46 ILE C C 13 174.450 0.5 . . . . . A 46 ILE C . 25700 1 493 . 1 1 46 46 ILE CA C 13 60.220 0.5 . . . . . A 46 ILE CA . 25700 1 494 . 1 1 46 46 ILE CB C 13 41.290 0.5 . . . . . A 46 ILE CB . 25700 1 495 . 1 1 46 46 ILE CG1 C 13 28.360 0.5 . . . . . A 46 ILE CG1 . 25700 1 496 . 1 1 46 46 ILE CG2 C 13 18.780 0.5 . . . . . A 46 ILE CG2 . 25700 1 497 . 1 1 46 46 ILE CD1 C 13 13.921 0.5 . . . . . A 46 ILE CD1 . 25700 1 498 . 1 1 46 46 ILE N N 15 127.920 0.5 . . . . . A 46 ILE N . 25700 1 499 . 1 1 47 47 LYS H H 1 8.734 0.05 . . . . . A 47 LYS H . 25700 1 500 . 1 1 47 47 LYS HA H 1 5.514 0.05 . . . . . A 47 LYS HA . 25700 1 501 . 1 1 47 47 LYS HB2 H 1 1.706 0.05 . . . . . A 47 LYS HB2 . 25700 1 502 . 1 1 47 47 LYS HB3 H 1 1.830 0.05 . . . . . A 47 LYS HB3 . 25700 1 503 . 1 1 47 47 LYS HG2 H 1 1.351 0.05 . . . . . A 47 LYS HG2 . 25700 1 504 . 1 1 47 47 LYS HG3 H 1 1.351 0.05 . . . . . A 47 LYS HG3 . 25700 1 505 . 1 1 47 47 LYS HD2 H 1 1.648 0.05 . . . . . A 47 LYS HD2 . 25700 1 506 . 1 1 47 47 LYS HD3 H 1 1.648 0.05 . . . . . A 47 LYS HD3 . 25700 1 507 . 1 1 47 47 LYS HE2 H 1 2.890 0.05 . . . . . A 47 LYS HE2 . 25700 1 508 . 1 1 47 47 LYS HE3 H 1 2.872 0.05 . . . . . A 47 LYS HE3 . 25700 1 509 . 1 1 47 47 LYS C C 13 175.790 0.5 . . . . . A 47 LYS C . 25700 1 510 . 1 1 47 47 LYS CA C 13 54.870 0.5 . . . . . A 47 LYS CA . 25700 1 511 . 1 1 47 47 LYS CB C 13 35.386 0.5 . . . . . A 47 LYS CB . 25700 1 512 . 1 1 47 47 LYS CG C 13 25.034 0.5 . . . . . A 47 LYS CG . 25700 1 513 . 1 1 47 47 LYS CD C 13 29.388 0.5 . . . . . A 47 LYS CD . 25700 1 514 . 1 1 47 47 LYS CE C 13 41.958 0.5 . . . . . A 47 LYS CE . 25700 1 515 . 1 1 47 47 LYS N N 15 126.061 0.5 . . . . . A 47 LYS N . 25700 1 516 . 1 1 48 48 GLN H H 1 9.228 0.05 . . . . . A 48 GLN H . 25700 1 517 . 1 1 48 48 GLN HA H 1 4.669 0.05 . . . . . A 48 GLN HA . 25700 1 518 . 1 1 48 48 GLN HB2 H 1 1.906 0.05 . . . . . A 48 GLN HB2 . 25700 1 519 . 1 1 48 48 GLN HB3 H 1 2.210 0.05 . . . . . A 48 GLN HB3 . 25700 1 520 . 1 1 48 48 GLN HG2 H 1 2.233 0.05 . . . . . A 48 GLN HG2 . 25700 1 521 . 1 1 48 48 GLN HG3 H 1 2.477 0.05 . . . . . A 48 GLN HG3 . 25700 1 522 . 1 1 48 48 GLN C C 13 173.659 0.5 . . . . . A 48 GLN C . 25700 1 523 . 1 1 48 48 GLN CA C 13 54.895 0.5 . . . . . A 48 GLN CA . 25700 1 524 . 1 1 48 48 GLN CB C 13 33.072 0.5 . . . . . A 48 GLN CB . 25700 1 525 . 1 1 48 48 GLN CG C 13 34.186 0.5 . . . . . A 48 GLN CG . 25700 1 526 . 1 1 48 48 GLN N N 15 122.633 0.5 . . . . . A 48 GLN N . 25700 1 527 . 1 1 49 49 ALA H H 1 8.557 0.05 . . . . . A 49 ALA H . 25700 1 528 . 1 1 49 49 ALA HA H 1 4.544 0.05 . . . . . A 49 ALA HA . 25700 1 529 . 1 1 49 49 ALA HB1 H 1 1.310 0.05 . . . . . A 49 ALA HB1 . 25700 1 530 . 1 1 49 49 ALA HB2 H 1 1.310 0.05 . . . . . A 49 ALA HB2 . 25700 1 531 . 1 1 49 49 ALA HB3 H 1 1.310 0.05 . . . . . A 49 ALA HB3 . 25700 1 532 . 1 1 49 49 ALA C C 13 175.881 0.5 . . . . . A 49 ALA C . 25700 1 533 . 1 1 49 49 ALA CA C 13 50.993 0.5 . . . . . A 49 ALA CA . 25700 1 534 . 1 1 49 49 ALA CB C 13 22.620 0.5 . . . . . A 49 ALA CB . 25700 1 535 . 1 1 49 49 ALA N N 15 125.634 0.5 . . . . . A 49 ALA N . 25700 1 536 . 1 1 50 50 GLY H H 1 6.865 0.05 . . . . . A 50 GLY H . 25700 1 537 . 1 1 50 50 GLY HA2 H 1 3.960 0.05 . . . . . A 50 GLY HA2 . 25700 1 538 . 1 1 50 50 GLY HA3 H 1 4.020 0.05 . . . . . A 50 GLY HA3 . 25700 1 539 . 1 1 50 50 GLY C C 13 170.217 0.5 . . . . . A 50 GLY C . 25700 1 540 . 1 1 50 50 GLY CA C 13 45.670 0.5 . . . . . A 50 GLY CA . 25700 1 541 . 1 1 50 50 GLY N N 15 105.483 0.5 . . . . . A 50 GLY N . 25700 1 542 . 1 1 51 51 ALA H H 1 8.522 0.05 . . . . . A 51 ALA H . 25700 1 543 . 1 1 51 51 ALA HA H 1 5.265 0.05 . . . . . A 51 ALA HA . 25700 1 544 . 1 1 51 51 ALA HB1 H 1 1.471 0.05 . . . . . A 51 ALA HB1 . 25700 1 545 . 1 1 51 51 ALA HB2 H 1 1.471 0.05 . . . . . A 51 ALA HB2 . 25700 1 546 . 1 1 51 51 ALA HB3 H 1 1.471 0.05 . . . . . A 51 ALA HB3 . 25700 1 547 . 1 1 51 51 ALA C C 13 176.793 0.5 . . . . . A 51 ALA C . 25700 1 548 . 1 1 51 51 ALA CA C 13 50.736 0.5 . . . . . A 51 ALA CA . 25700 1 549 . 1 1 51 51 ALA CB C 13 21.840 0.5 . . . . . A 51 ALA CB . 25700 1 550 . 1 1 51 51 ALA N N 15 122.908 0.5 . . . . . A 51 ALA N . 25700 1 551 . 1 1 52 52 PHE H H 1 8.191 0.05 . . . . . A 52 PHE H . 25700 1 552 . 1 1 52 52 PHE HA H 1 5.106 0.05 . . . . . A 52 PHE HA . 25700 1 553 . 1 1 52 52 PHE HB2 H 1 2.906 0.05 . . . . . A 52 PHE HB2 . 25700 1 554 . 1 1 52 52 PHE HB3 H 1 2.980 0.05 . . . . . A 52 PHE HB3 . 25700 1 555 . 1 1 52 52 PHE HD2 H 1 6.859 0.05 . . . . . A 52 PHE HD2 . 25700 1 556 . 1 1 52 52 PHE HE2 H 1 6.961 0.05 . . . . . A 52 PHE HE2 . 25700 1 557 . 1 1 52 52 PHE C C 13 172.832 0.5 . . . . . A 52 PHE C . 25700 1 558 . 1 1 52 52 PHE CA C 13 56.890 0.5 . . . . . A 52 PHE CA . 25700 1 559 . 1 1 52 52 PHE CB C 13 42.428 0.5 . . . . . A 52 PHE CB . 25700 1 560 . 1 1 52 52 PHE CD2 C 13 132.301 0.5 . . . . . A 52 PHE CD2 . 25700 1 561 . 1 1 52 52 PHE CE2 C 13 133.859 0.5 . . . . . A 52 PHE CE2 . 25700 1 562 . 1 1 52 52 PHE N N 15 115.156 0.5 . . . . . A 52 PHE N . 25700 1 563 . 1 1 53 53 THR H H 1 8.650 0.05 . . . . . A 53 THR H . 25700 1 564 . 1 1 53 53 THR HA H 1 4.631 0.05 . . . . . A 53 THR HA . 25700 1 565 . 1 1 53 53 THR HB H 1 3.992 0.05 . . . . . A 53 THR HB . 25700 1 566 . 1 1 53 53 THR HG21 H 1 1.145 0.05 . . . . . A 53 THR HG21 . 25700 1 567 . 1 1 53 53 THR HG22 H 1 1.145 0.05 . . . . . A 53 THR HG22 . 25700 1 568 . 1 1 53 53 THR HG23 H 1 1.145 0.05 . . . . . A 53 THR HG23 . 25700 1 569 . 1 1 53 53 THR C C 13 172.769 0.5 . . . . . A 53 THR C . 25700 1 570 . 1 1 53 53 THR CA C 13 61.610 0.5 . . . . . A 53 THR CA . 25700 1 571 . 1 1 53 53 THR CB C 13 70.736 0.5 . . . . . A 53 THR CB . 25700 1 572 . 1 1 53 53 THR CG2 C 13 21.754 0.5 . . . . . A 53 THR CG2 . 25700 1 573 . 1 1 53 53 THR N N 15 116.180 0.5 . . . . . A 53 THR N . 25700 1 574 . 1 1 54 54 ALA H H 1 9.353 0.05 . . . . . A 54 ALA H . 25700 1 575 . 1 1 54 54 ALA HA H 1 4.748 0.05 . . . . . A 54 ALA HA . 25700 1 576 . 1 1 54 54 ALA HB1 H 1 1.474 0.05 . . . . . A 54 ALA HB1 . 25700 1 577 . 1 1 54 54 ALA HB2 H 1 1.474 0.05 . . . . . A 54 ALA HB2 . 25700 1 578 . 1 1 54 54 ALA HB3 H 1 1.474 0.05 . . . . . A 54 ALA HB3 . 25700 1 579 . 1 1 54 54 ALA C C 13 176.369 0.5 . . . . . A 54 ALA C . 25700 1 580 . 1 1 54 54 ALA CA C 13 51.397 0.5 . . . . . A 54 ALA CA . 25700 1 581 . 1 1 54 54 ALA CB C 13 22.010 0.5 . . . . . A 54 ALA CB . 25700 1 582 . 1 1 54 54 ALA N N 15 127.969 0.5 . . . . . A 54 ALA N . 25700 1 583 . 1 1 55 55 ILE H H 1 7.856 0.05 . . . . . A 55 ILE H . 25700 1 584 . 1 1 55 55 ILE HA H 1 4.391 0.05 . . . . . A 55 ILE HA . 25700 1 585 . 1 1 55 55 ILE HB H 1 1.463 0.05 . . . . . A 55 ILE HB . 25700 1 586 . 1 1 55 55 ILE HG12 H 1 1.403 0.05 . . . . . A 55 ILE HG12 . 25700 1 587 . 1 1 55 55 ILE HG13 H 1 1.055 0.05 . . . . . A 55 ILE HG13 . 25700 1 588 . 1 1 55 55 ILE HG21 H 1 0.881 0.05 . . . . . A 55 ILE HG21 . 25700 1 589 . 1 1 55 55 ILE HG22 H 1 0.881 0.05 . . . . . A 55 ILE HG22 . 25700 1 590 . 1 1 55 55 ILE HG23 H 1 0.881 0.05 . . . . . A 55 ILE HG23 . 25700 1 591 . 1 1 55 55 ILE HD11 H 1 0.788 0.05 . . . . . A 55 ILE HD11 . 25700 1 592 . 1 1 55 55 ILE HD12 H 1 0.788 0.05 . . . . . A 55 ILE HD12 . 25700 1 593 . 1 1 55 55 ILE HD13 H 1 0.788 0.05 . . . . . A 55 ILE HD13 . 25700 1 594 . 1 1 55 55 ILE C C 13 176.079 0.5 . . . . . A 55 ILE C . 25700 1 595 . 1 1 55 55 ILE CA C 13 59.138 0.5 . . . . . A 55 ILE CA . 25700 1 596 . 1 1 55 55 ILE CB C 13 39.451 0.5 . . . . . A 55 ILE CB . 25700 1 597 . 1 1 55 55 ILE CG1 C 13 27.353 0.5 . . . . . A 55 ILE CG1 . 25700 1 598 . 1 1 55 55 ILE CG2 C 13 17.550 0.5 . . . . . A 55 ILE CG2 . 25700 1 599 . 1 1 55 55 ILE CD1 C 13 12.613 0.5 . . . . . A 55 ILE CD1 . 25700 1 600 . 1 1 55 55 ILE N N 15 123.326 0.5 . . . . . A 55 ILE N . 25700 1 601 . 1 1 56 56 ALA H H 1 9.104 0.05 . . . . . A 56 ALA H . 25700 1 602 . 1 1 56 56 ALA HA H 1 3.493 0.05 . . . . . A 56 ALA HA . 25700 1 603 . 1 1 56 56 ALA HB1 H 1 1.257 0.05 . . . . . A 56 ALA HB1 . 25700 1 604 . 1 1 56 56 ALA HB2 H 1 1.257 0.05 . . . . . A 56 ALA HB2 . 25700 1 605 . 1 1 56 56 ALA HB3 H 1 1.257 0.05 . . . . . A 56 ALA HB3 . 25700 1 606 . 1 1 56 56 ALA C C 13 177.405 0.5 . . . . . A 56 ALA C . 25700 1 607 . 1 1 56 56 ALA CA C 13 54.156 0.5 . . . . . A 56 ALA CA . 25700 1 608 . 1 1 56 56 ALA CB C 13 18.871 0.5 . . . . . A 56 ALA CB . 25700 1 609 . 1 1 56 56 ALA N N 15 130.280 0.5 . . . . . A 56 ALA N . 25700 1 610 . 1 1 57 57 GLU H H 1 9.007 0.05 . . . . . A 57 GLU H . 25700 1 611 . 1 1 57 57 GLU HA H 1 3.614 0.05 . . . . . A 57 GLU HA . 25700 1 612 . 1 1 57 57 GLU HB2 H 1 2.165 0.05 . . . . . A 57 GLU HB2 . 25700 1 613 . 1 1 57 57 GLU HB3 H 1 2.214 0.05 . . . . . A 57 GLU HB3 . 25700 1 614 . 1 1 57 57 GLU HG2 H 1 2.100 0.05 . . . . . A 57 GLU HG2 . 25700 1 615 . 1 1 57 57 GLU HG3 H 1 2.140 0.05 . . . . . A 57 GLU HG3 . 25700 1 616 . 1 1 57 57 GLU C C 13 174.959 0.5 . . . . . A 57 GLU C . 25700 1 617 . 1 1 57 57 GLU CA C 13 58.080 0.5 . . . . . A 57 GLU CA . 25700 1 618 . 1 1 57 57 GLU CB C 13 27.141 0.5 . . . . . A 57 GLU CB . 25700 1 619 . 1 1 57 57 GLU CG C 13 36.507 0.5 . . . . . A 57 GLU CG . 25700 1 620 . 1 1 57 57 GLU N N 15 113.081 0.5 . . . . . A 57 GLU N . 25700 1 621 . 1 1 58 58 GLN H H 1 8.061 0.05 . . . . . A 58 GLN H . 25700 1 622 . 1 1 58 58 GLN HA H 1 4.519 0.05 . . . . . A 58 GLN HA . 25700 1 623 . 1 1 58 58 GLN HB2 H 1 1.810 0.05 . . . . . A 58 GLN HB2 . 25700 1 624 . 1 1 58 58 GLN HB3 H 1 2.050 0.05 . . . . . A 58 GLN HB3 . 25700 1 625 . 1 1 58 58 GLN HG2 H 1 2.212 0.05 . . . . . A 58 GLN HG2 . 25700 1 626 . 1 1 58 58 GLN HG3 H 1 2.307 0.05 . . . . . A 58 GLN HG3 . 25700 1 627 . 1 1 58 58 GLN C C 13 175.217 0.5 . . . . . A 58 GLN C . 25700 1 628 . 1 1 58 58 GLN CA C 13 54.379 0.5 . . . . . A 58 GLN CA . 25700 1 629 . 1 1 58 58 GLN CB C 13 30.102 0.5 . . . . . A 58 GLN CB . 25700 1 630 . 1 1 58 58 GLN CG C 13 33.473 0.5 . . . . . A 58 GLN CG . 25700 1 631 . 1 1 58 58 GLN N N 15 119.796 0.5 . . . . . A 58 GLN N . 25700 1 632 . 1 1 59 59 ARG H H 1 8.486 0.05 . . . . . A 59 ARG H . 25700 1 633 . 1 1 59 59 ARG HA H 1 4.286 0.05 . . . . . A 59 ARG HA . 25700 1 634 . 1 1 59 59 ARG HB2 H 1 1.455 0.05 . . . . . A 59 ARG HB2 . 25700 1 635 . 1 1 59 59 ARG HB3 H 1 1.511 0.05 . . . . . A 59 ARG HB3 . 25700 1 636 . 1 1 59 59 ARG HG2 H 1 1.333 0.05 . . . . . A 59 ARG HG2 . 25700 1 637 . 1 1 59 59 ARG HG3 H 1 1.435 0.05 . . . . . A 59 ARG HG3 . 25700 1 638 . 1 1 59 59 ARG HD2 H 1 2.957 0.05 . . . . . A 59 ARG HD2 . 25700 1 639 . 1 1 59 59 ARG HD3 H 1 3.117 0.05 . . . . . A 59 ARG HD3 . 25700 1 640 . 1 1 59 59 ARG C C 13 176.396 0.5 . . . . . A 59 ARG C . 25700 1 641 . 1 1 59 59 ARG CA C 13 56.810 0.5 . . . . . A 59 ARG CA . 25700 1 642 . 1 1 59 59 ARG CB C 13 30.906 0.5 . . . . . A 59 ARG CB . 25700 1 643 . 1 1 59 59 ARG CG C 13 27.447 0.5 . . . . . A 59 ARG CG . 25700 1 644 . 1 1 59 59 ARG CD C 13 43.642 0.5 . . . . . A 59 ARG CD . 25700 1 645 . 1 1 59 59 ARG N N 15 124.810 0.5 . . . . . A 59 ARG N . 25700 1 646 . 1 1 60 60 VAL H H 1 9.033 0.05 . . . . . A 60 VAL H . 25700 1 647 . 1 1 60 60 VAL HA H 1 4.319 0.05 . . . . . A 60 VAL HA . 25700 1 648 . 1 1 60 60 VAL HB H 1 1.997 0.05 . . . . . A 60 VAL HB . 25700 1 649 . 1 1 60 60 VAL HG11 H 1 0.830 0.05 . . . . . A 60 VAL HG11 . 25700 1 650 . 1 1 60 60 VAL HG12 H 1 0.830 0.05 . . . . . A 60 VAL HG12 . 25700 1 651 . 1 1 60 60 VAL HG13 H 1 0.830 0.05 . . . . . A 60 VAL HG13 . 25700 1 652 . 1 1 60 60 VAL HG21 H 1 1.071 0.05 . . . . . A 60 VAL HG21 . 25700 1 653 . 1 1 60 60 VAL HG22 H 1 1.071 0.05 . . . . . A 60 VAL HG22 . 25700 1 654 . 1 1 60 60 VAL HG23 H 1 1.071 0.05 . . . . . A 60 VAL HG23 . 25700 1 655 . 1 1 60 60 VAL C C 13 174.543 0.5 . . . . . A 60 VAL C . 25700 1 656 . 1 1 60 60 VAL CA C 13 61.227 0.5 . . . . . A 60 VAL CA . 25700 1 657 . 1 1 60 60 VAL CB C 13 34.177 0.5 . . . . . A 60 VAL CB . 25700 1 658 . 1 1 60 60 VAL CG1 C 13 20.430 0.5 . . . . . A 60 VAL CG1 . 25700 1 659 . 1 1 60 60 VAL CG2 C 13 21.190 0.5 . . . . . A 60 VAL CG2 . 25700 1 660 . 1 1 60 60 VAL N N 15 127.238 0.5 . . . . . A 60 VAL N . 25700 1 661 . 1 1 61 61 THR H H 1 8.340 0.05 . . . . . A 61 THR H . 25700 1 662 . 1 1 61 61 THR HA H 1 5.096 0.05 . . . . . A 61 THR HA . 25700 1 663 . 1 1 61 61 THR HB H 1 3.914 0.05 . . . . . A 61 THR HB . 25700 1 664 . 1 1 61 61 THR HG21 H 1 0.996 0.05 . . . . . A 61 THR HG21 . 25700 1 665 . 1 1 61 61 THR HG22 H 1 0.996 0.05 . . . . . A 61 THR HG22 . 25700 1 666 . 1 1 61 61 THR HG23 H 1 0.996 0.05 . . . . . A 61 THR HG23 . 25700 1 667 . 1 1 61 61 THR C C 13 174.645 0.5 . . . . . A 61 THR C . 25700 1 668 . 1 1 61 61 THR CA C 13 60.686 0.5 . . . . . A 61 THR CA . 25700 1 669 . 1 1 61 61 THR CB C 13 69.710 0.5 . . . . . A 61 THR CB . 25700 1 670 . 1 1 61 61 THR CG2 C 13 21.784 0.5 . . . . . A 61 THR CG2 . 25700 1 671 . 1 1 61 61 THR N N 15 120.913 0.5 . . . . . A 61 THR N . 25700 1 672 . 1 1 62 62 VAL H H 1 8.658 0.05 . . . . . A 62 VAL H . 25700 1 673 . 1 1 62 62 VAL HA H 1 4.294 0.05 . . . . . A 62 VAL HA . 25700 1 674 . 1 1 62 62 VAL HB H 1 0.339 0.05 . . . . . A 62 VAL HB . 25700 1 675 . 1 1 62 62 VAL HG11 H 1 -0.085 0.05 . . . . . A 62 VAL HG11 . 25700 1 676 . 1 1 62 62 VAL HG12 H 1 -0.085 0.05 . . . . . A 62 VAL HG12 . 25700 1 677 . 1 1 62 62 VAL HG13 H 1 -0.085 0.05 . . . . . A 62 VAL HG13 . 25700 1 678 . 1 1 62 62 VAL HG21 H 1 0.148 0.05 . . . . . A 62 VAL HG21 . 25700 1 679 . 1 1 62 62 VAL HG22 H 1 0.148 0.05 . . . . . A 62 VAL HG22 . 25700 1 680 . 1 1 62 62 VAL HG23 H 1 0.148 0.05 . . . . . A 62 VAL HG23 . 25700 1 681 . 1 1 62 62 VAL C C 13 174.530 0.5 . . . . . A 62 VAL C . 25700 1 682 . 1 1 62 62 VAL CA C 13 58.641 0.5 . . . . . A 62 VAL CA . 25700 1 683 . 1 1 62 62 VAL CB C 13 34.263 0.5 . . . . . A 62 VAL CB . 25700 1 684 . 1 1 62 62 VAL CG1 C 13 18.320 0.5 . . . . . A 62 VAL CG1 . 25700 1 685 . 1 1 62 62 VAL CG2 C 13 22.660 0.5 . . . . . A 62 VAL CG2 . 25700 1 686 . 1 1 62 62 VAL N N 15 117.650 0.5 . . . . . A 62 VAL N . 25700 1 687 . 1 1 63 63 GLY H H 1 7.857 0.05 . . . . . A 63 GLY H . 25700 1 688 . 1 1 63 63 GLY HA2 H 1 3.695 0.05 . . . . . A 63 GLY HA2 . 25700 1 689 . 1 1 63 63 GLY HA3 H 1 3.957 0.05 . . . . . A 63 GLY HA3 . 25700 1 690 . 1 1 63 63 GLY C C 13 172.475 0.5 . . . . . A 63 GLY C . 25700 1 691 . 1 1 63 63 GLY CA C 13 43.668 0.5 . . . . . A 63 GLY CA . 25700 1 692 . 1 1 63 63 GLY N N 15 107.924 0.5 . . . . . A 63 GLY N . 25700 1 693 . 1 1 64 64 ASN H H 1 8.933 0.05 . . . . . A 64 ASN H . 25700 1 694 . 1 1 64 64 ASN HA H 1 4.530 0.05 . . . . . A 64 ASN HA . 25700 1 695 . 1 1 64 64 ASN HB2 H 1 2.660 0.05 . . . . . A 64 ASN HB2 . 25700 1 696 . 1 1 64 64 ASN HB3 H 1 2.780 0.05 . . . . . A 64 ASN HB3 . 25700 1 697 . 1 1 64 64 ASN C C 13 173.307 0.5 . . . . . A 64 ASN C . 25700 1 698 . 1 1 64 64 ASN CA C 13 55.380 0.5 . . . . . A 64 ASN CA . 25700 1 699 . 1 1 64 64 ASN CB C 13 39.159 0.5 . . . . . A 64 ASN CB . 25700 1 700 . 1 1 64 64 ASN N N 15 116.073 0.5 . . . . . A 64 ASN N . 25700 1 701 . 1 1 65 65 VAL H H 1 8.548 0.05 . . . . . A 65 VAL H . 25700 1 702 . 1 1 65 65 VAL HA H 1 4.238 0.05 . . . . . A 65 VAL HA . 25700 1 703 . 1 1 65 65 VAL HB H 1 1.894 0.05 . . . . . A 65 VAL HB . 25700 1 704 . 1 1 65 65 VAL HG11 H 1 0.800 0.05 . . . . . A 65 VAL HG11 . 25700 1 705 . 1 1 65 65 VAL HG12 H 1 0.800 0.05 . . . . . A 65 VAL HG12 . 25700 1 706 . 1 1 65 65 VAL HG13 H 1 0.800 0.05 . . . . . A 65 VAL HG13 . 25700 1 707 . 1 1 65 65 VAL HG21 H 1 0.842 0.05 . . . . . A 65 VAL HG21 . 25700 1 708 . 1 1 65 65 VAL HG22 H 1 0.842 0.05 . . . . . A 65 VAL HG22 . 25700 1 709 . 1 1 65 65 VAL HG23 H 1 0.842 0.05 . . . . . A 65 VAL HG23 . 25700 1 710 . 1 1 65 65 VAL C C 13 173.538 0.5 . . . . . A 65 VAL C . 25700 1 711 . 1 1 65 65 VAL CA C 13 61.970 0.5 . . . . . A 65 VAL CA . 25700 1 712 . 1 1 65 65 VAL CB C 13 33.829 0.5 . . . . . A 65 VAL CB . 25700 1 713 . 1 1 65 65 VAL CG1 C 13 20.600 0.5 . . . . . A 65 VAL CG1 . 25700 1 714 . 1 1 65 65 VAL CG2 C 13 21.190 0.5 . . . . . A 65 VAL CG2 . 25700 1 715 . 1 1 65 65 VAL N N 15 126.612 0.5 . . . . . A 65 VAL N . 25700 1 716 . 1 1 66 66 VAL H H 1 8.364 0.05 . . . . . A 66 VAL H . 25700 1 717 . 1 1 66 66 VAL HA H 1 4.990 0.05 . . . . . A 66 VAL HA . 25700 1 718 . 1 1 66 66 VAL HB H 1 1.802 0.05 . . . . . A 66 VAL HB . 25700 1 719 . 1 1 66 66 VAL HG11 H 1 0.629 0.05 . . . . . A 66 VAL HG11 . 25700 1 720 . 1 1 66 66 VAL HG12 H 1 0.629 0.05 . . . . . A 66 VAL HG12 . 25700 1 721 . 1 1 66 66 VAL HG13 H 1 0.629 0.05 . . . . . A 66 VAL HG13 . 25700 1 722 . 1 1 66 66 VAL HG21 H 1 0.820 0.05 . . . . . A 66 VAL HG21 . 25700 1 723 . 1 1 66 66 VAL HG22 H 1 0.820 0.05 . . . . . A 66 VAL HG22 . 25700 1 724 . 1 1 66 66 VAL HG23 H 1 0.820 0.05 . . . . . A 66 VAL HG23 . 25700 1 725 . 1 1 66 66 VAL C C 13 175.271 0.5 . . . . . A 66 VAL C . 25700 1 726 . 1 1 66 66 VAL CA C 13 61.360 0.5 . . . . . A 66 VAL CA . 25700 1 727 . 1 1 66 66 VAL CB C 13 32.923 0.5 . . . . . A 66 VAL CB . 25700 1 728 . 1 1 66 66 VAL CG1 C 13 20.490 0.5 . . . . . A 66 VAL CG1 . 25700 1 729 . 1 1 66 66 VAL CG2 C 13 20.720 0.5 . . . . . A 66 VAL CG2 . 25700 1 730 . 1 1 66 66 VAL N N 15 127.886 0.5 . . . . . A 66 VAL N . 25700 1 731 . 1 1 67 67 LEU H H 1 9.050 0.05 . . . . . A 67 LEU H . 25700 1 732 . 1 1 67 67 LEU HA H 1 4.955 0.05 . . . . . A 67 LEU HA . 25700 1 733 . 1 1 67 67 LEU HB2 H 1 1.557 0.05 . . . . . A 67 LEU HB2 . 25700 1 734 . 1 1 67 67 LEU HB3 H 1 1.680 0.05 . . . . . A 67 LEU HB3 . 25700 1 735 . 1 1 67 67 LEU HG H 1 0.858 0.05 . . . . . A 67 LEU HG . 25700 1 736 . 1 1 67 67 LEU HD11 H 1 0.930 0.05 . . . . . A 67 LEU HD11 . 25700 1 737 . 1 1 67 67 LEU HD12 H 1 0.930 0.05 . . . . . A 67 LEU HD12 . 25700 1 738 . 1 1 67 67 LEU HD13 H 1 0.930 0.05 . . . . . A 67 LEU HD13 . 25700 1 739 . 1 1 67 67 LEU HD21 H 1 0.921 0.05 . . . . . A 67 LEU HD21 . 25700 1 740 . 1 1 67 67 LEU HD22 H 1 0.921 0.05 . . . . . A 67 LEU HD22 . 25700 1 741 . 1 1 67 67 LEU HD23 H 1 0.921 0.05 . . . . . A 67 LEU HD23 . 25700 1 742 . 1 1 67 67 LEU C C 13 176.547 0.5 . . . . . A 67 LEU C . 25700 1 743 . 1 1 67 67 LEU CA C 13 52.492 0.5 . . . . . A 67 LEU CA . 25700 1 744 . 1 1 67 67 LEU CB C 13 46.685 0.5 . . . . . A 67 LEU CB . 25700 1 745 . 1 1 67 67 LEU CG C 13 27.132 0.5 . . . . . A 67 LEU CG . 25700 1 746 . 1 1 67 67 LEU CD1 C 13 23.990 0.5 . . . . . A 67 LEU CD1 . 25700 1 747 . 1 1 67 67 LEU CD2 C 13 24.006 0.5 . . . . . A 67 LEU CD2 . 25700 1 748 . 1 1 67 67 LEU N N 15 126.454 0.5 . . . . . A 67 LEU N . 25700 1 749 . 1 1 68 68 ASP H H 1 8.722 0.05 . . . . . A 68 ASP H . 25700 1 750 . 1 1 68 68 ASP HA H 1 4.609 0.05 . . . . . A 68 ASP HA . 25700 1 751 . 1 1 68 68 ASP HB2 H 1 2.411 0.05 . . . . . A 68 ASP HB2 . 25700 1 752 . 1 1 68 68 ASP HB3 H 1 2.642 0.05 . . . . . A 68 ASP HB3 . 25700 1 753 . 1 1 68 68 ASP C C 13 176.247 0.5 . . . . . A 68 ASP C . 25700 1 754 . 1 1 68 68 ASP CA C 13 55.492 0.5 . . . . . A 68 ASP CA . 25700 1 755 . 1 1 68 68 ASP CB C 13 40.566 0.5 . . . . . A 68 ASP CB . 25700 1 756 . 1 1 68 68 ASP N N 15 119.799 0.5 . . . . . A 68 ASP N . 25700 1 757 . 1 1 69 69 TYR H H 1 8.603 0.05 . . . . . A 69 TYR H . 25700 1 758 . 1 1 69 69 TYR HA H 1 4.651 0.05 . . . . . A 69 TYR HA . 25700 1 759 . 1 1 69 69 TYR HB2 H 1 2.231 0.05 . . . . . A 69 TYR HB2 . 25700 1 760 . 1 1 69 69 TYR HB3 H 1 2.413 0.05 . . . . . A 69 TYR HB3 . 25700 1 761 . 1 1 69 69 TYR HD1 H 1 6.542 0.05 . . . . . A 69 TYR HD1 . 25700 1 762 . 1 1 69 69 TYR HE1 H 1 6.628 0.05 . . . . . A 69 TYR HE1 . 25700 1 763 . 1 1 69 69 TYR C C 13 174.253 0.5 . . . . . A 69 TYR C . 25700 1 764 . 1 1 69 69 TYR CA C 13 57.767 0.5 . . . . . A 69 TYR CA . 25700 1 765 . 1 1 69 69 TYR CB C 13 40.067 0.5 . . . . . A 69 TYR CB . 25700 1 766 . 1 1 69 69 TYR CD1 C 13 132.736 0.5 . . . . . A 69 TYR CD1 . 25700 1 767 . 1 1 69 69 TYR CE1 C 13 118.838 0.5 . . . . . A 69 TYR CE1 . 25700 1 768 . 1 1 69 69 TYR N N 15 123.398 0.5 . . . . . A 69 TYR N . 25700 1 769 . 1 1 70 70 SER H H 1 6.749 0.05 . . . . . A 70 SER H . 25700 1 770 . 1 1 70 70 SER HA H 1 4.059 0.05 . . . . . A 70 SER HA . 25700 1 771 . 1 1 70 70 SER HB2 H 1 3.313 0.05 . . . . . A 70 SER HB2 . 25700 1 772 . 1 1 70 70 SER HB3 H 1 3.789 0.05 . . . . . A 70 SER HB3 . 25700 1 773 . 1 1 70 70 SER C C 13 174.851 0.5 . . . . . A 70 SER C . 25700 1 774 . 1 1 70 70 SER CA C 13 56.341 0.5 . . . . . A 70 SER CA . 25700 1 775 . 1 1 70 70 SER CB C 13 64.634 0.5 . . . . . A 70 SER CB . 25700 1 776 . 1 1 70 70 SER N N 15 121.308 0.5 . . . . . A 70 SER N . 25700 1 777 . 1 1 71 71 SER H H 1 8.907 0.05 . . . . . A 71 SER H . 25700 1 778 . 1 1 71 71 SER HA H 1 4.221 0.05 . . . . . A 71 SER HA . 25700 1 779 . 1 1 71 71 SER HB2 H 1 3.956 0.05 . . . . . A 71 SER HB2 . 25700 1 780 . 1 1 71 71 SER HB3 H 1 4.076 0.05 . . . . . A 71 SER HB3 . 25700 1 781 . 1 1 71 71 SER C C 13 174.098 0.5 . . . . . A 71 SER C . 25700 1 782 . 1 1 71 71 SER CA C 13 60.326 0.5 . . . . . A 71 SER CA . 25700 1 783 . 1 1 71 71 SER CB C 13 62.814 0.5 . . . . . A 71 SER CB . 25700 1 784 . 1 1 71 71 SER N N 15 122.764 0.5 . . . . . A 71 SER N . 25700 1 785 . 1 1 72 72 ALA H H 1 7.869 0.05 . . . . . A 72 ALA H . 25700 1 786 . 1 1 72 72 ALA HA H 1 4.320 0.05 . . . . . A 72 ALA HA . 25700 1 787 . 1 1 72 72 ALA HB1 H 1 1.264 0.05 . . . . . A 72 ALA HB1 . 25700 1 788 . 1 1 72 72 ALA HB2 H 1 1.264 0.05 . . . . . A 72 ALA HB2 . 25700 1 789 . 1 1 72 72 ALA HB3 H 1 1.264 0.05 . . . . . A 72 ALA HB3 . 25700 1 790 . 1 1 72 72 ALA C C 13 177.749 0.5 . . . . . A 72 ALA C . 25700 1 791 . 1 1 72 72 ALA CA C 13 52.283 0.5 . . . . . A 72 ALA CA . 25700 1 792 . 1 1 72 72 ALA CB C 13 18.950 0.5 . . . . . A 72 ALA CB . 25700 1 793 . 1 1 72 72 ALA N N 15 122.199 0.5 . . . . . A 72 ALA N . 25700 1 794 . 1 1 73 73 ASN H H 1 7.265 0.05 . . . . . A 73 ASN H . 25700 1 795 . 1 1 73 73 ASN HA H 1 5.076 0.05 . . . . . A 73 ASN HA . 25700 1 796 . 1 1 73 73 ASN HB2 H 1 1.859 0.05 . . . . . A 73 ASN HB2 . 25700 1 797 . 1 1 73 73 ASN HB3 H 1 2.640 0.05 . . . . . A 73 ASN HB3 . 25700 1 798 . 1 1 73 73 ASN C C 13 173.794 0.5 . . . . . A 73 ASN C . 25700 1 799 . 1 1 73 73 ASN CA C 13 51.612 0.5 . . . . . A 73 ASN CA . 25700 1 800 . 1 1 73 73 ASN CB C 13 40.647 0.5 . . . . . A 73 ASN CB . 25700 1 801 . 1 1 73 73 ASN N N 15 116.297 0.5 . . . . . A 73 ASN N . 25700 1 802 . 1 1 74 74 ARG H H 1 8.529 0.05 . . . . . A 74 ARG H . 25700 1 803 . 1 1 74 74 ARG HA H 1 4.684 0.05 . . . . . A 74 ARG HA . 25700 1 804 . 1 1 74 74 ARG HB2 H 1 1.571 0.05 . . . . . A 74 ARG HB2 . 25700 1 805 . 1 1 74 74 ARG HB3 H 1 1.714 0.05 . . . . . A 74 ARG HB3 . 25700 1 806 . 1 1 74 74 ARG HG2 H 1 1.480 0.05 . . . . . A 74 ARG HG2 . 25700 1 807 . 1 1 74 74 ARG HG3 H 1 1.593 0.05 . . . . . A 74 ARG HG3 . 25700 1 808 . 1 1 74 74 ARG HD2 H 1 3.154 0.05 . . . . . A 74 ARG HD2 . 25700 1 809 . 1 1 74 74 ARG HD3 H 1 3.154 0.05 . . . . . A 74 ARG HD3 . 25700 1 810 . 1 1 74 74 ARG C C 13 174.943 0.5 . . . . . A 74 ARG C . 25700 1 811 . 1 1 74 74 ARG CA C 13 54.523 0.5 . . . . . A 74 ARG CA . 25700 1 812 . 1 1 74 74 ARG CB C 13 32.331 0.5 . . . . . A 74 ARG CB . 25700 1 813 . 1 1 74 74 ARG CG C 13 27.086 0.5 . . . . . A 74 ARG CG . 25700 1 814 . 1 1 74 74 ARG CD C 13 43.125 0.5 . . . . . A 74 ARG CD . 25700 1 815 . 1 1 74 74 ARG N N 15 118.937 0.5 . . . . . A 74 ARG N . 25700 1 816 . 1 1 75 75 TYR H H 1 8.691 0.05 . . . . . A 75 TYR H . 25700 1 817 . 1 1 75 75 TYR HA H 1 5.159 0.05 . . . . . A 75 TYR HA . 25700 1 818 . 1 1 75 75 TYR HB2 H 1 2.555 0.05 . . . . . A 75 TYR HB2 . 25700 1 819 . 1 1 75 75 TYR HB3 H 1 2.695 0.05 . . . . . A 75 TYR HB3 . 25700 1 820 . 1 1 75 75 TYR HD1 H 1 7.060 0.05 . . . . . A 75 TYR HD1 . 25700 1 821 . 1 1 75 75 TYR HE1 H 1 6.730 0.05 . . . . . A 75 TYR HE1 . 25700 1 822 . 1 1 75 75 TYR C C 13 173.593 0.5 . . . . . A 75 TYR C . 25700 1 823 . 1 1 75 75 TYR CA C 13 57.080 0.5 . . . . . A 75 TYR CA . 25700 1 824 . 1 1 75 75 TYR CB C 13 41.202 0.5 . . . . . A 75 TYR CB . 25700 1 825 . 1 1 75 75 TYR CD1 C 13 133.500 0.5 . . . . . A 75 TYR CD1 . 25700 1 826 . 1 1 75 75 TYR CE1 C 13 119.370 0.5 . . . . . A 75 TYR CE1 . 25700 1 827 . 1 1 75 75 TYR N N 15 122.282 0.5 . . . . . A 75 TYR N . 25700 1 828 . 1 1 76 76 ALA H H 1 8.688 0.05 . . . . . A 76 ALA H . 25700 1 829 . 1 1 76 76 ALA HA H 1 4.788 0.05 . . . . . A 76 ALA HA . 25700 1 830 . 1 1 76 76 ALA HB1 H 1 1.412 0.05 . . . . . A 76 ALA HB1 . 25700 1 831 . 1 1 76 76 ALA HB2 H 1 1.412 0.05 . . . . . A 76 ALA HB2 . 25700 1 832 . 1 1 76 76 ALA HB3 H 1 1.412 0.05 . . . . . A 76 ALA HB3 . 25700 1 833 . 1 1 76 76 ALA C C 13 175.765 0.5 . . . . . A 76 ALA C . 25700 1 834 . 1 1 76 76 ALA CA C 13 50.543 0.5 . . . . . A 76 ALA CA . 25700 1 835 . 1 1 76 76 ALA CB C 13 23.070 0.5 . . . . . A 76 ALA CB . 25700 1 836 . 1 1 76 76 ALA N N 15 122.606 0.5 . . . . . A 76 ALA N . 25700 1 837 . 1 1 77 77 ALA H H 1 8.584 0.05 . . . . . A 77 ALA H . 25700 1 838 . 1 1 77 77 ALA HA H 1 5.488 0.05 . . . . . A 77 ALA HA . 25700 1 839 . 1 1 77 77 ALA HB1 H 1 1.286 0.05 . . . . . A 77 ALA HB1 . 25700 1 840 . 1 1 77 77 ALA HB2 H 1 1.286 0.05 . . . . . A 77 ALA HB2 . 25700 1 841 . 1 1 77 77 ALA HB3 H 1 1.286 0.05 . . . . . A 77 ALA HB3 . 25700 1 842 . 1 1 77 77 ALA C C 13 174.473 0.5 . . . . . A 77 ALA C . 25700 1 843 . 1 1 77 77 ALA CA C 13 51.813 0.5 . . . . . A 77 ALA CA . 25700 1 844 . 1 1 77 77 ALA CB C 13 24.137 0.5 . . . . . A 77 ALA CB . 25700 1 845 . 1 1 77 77 ALA N N 15 119.325 0.5 . . . . . A 77 ALA N . 25700 1 846 . 1 1 78 78 ARG H H 1 8.807 0.05 . . . . . A 78 ARG H . 25700 1 847 . 1 1 78 78 ARG HA H 1 4.938 0.05 . . . . . A 78 ARG HA . 25700 1 848 . 1 1 78 78 ARG HB2 H 1 1.700 0.05 . . . . . A 78 ARG HB2 . 25700 1 849 . 1 1 78 78 ARG HB3 H 1 1.720 0.05 . . . . . A 78 ARG HB3 . 25700 1 850 . 1 1 78 78 ARG HG2 H 1 1.407 0.05 . . . . . A 78 ARG HG2 . 25700 1 851 . 1 1 78 78 ARG HG3 H 1 1.407 0.05 . . . . . A 78 ARG HG3 . 25700 1 852 . 1 1 78 78 ARG HD2 H 1 3.134 0.05 . . . . . A 78 ARG HD2 . 25700 1 853 . 1 1 78 78 ARG HD3 H 1 3.077 0.05 . . . . . A 78 ARG HD3 . 25700 1 854 . 1 1 78 78 ARG C C 13 173.170 0.5 . . . . . A 78 ARG C . 25700 1 855 . 1 1 78 78 ARG CA C 13 54.890 0.5 . . . . . A 78 ARG CA . 25700 1 856 . 1 1 78 78 ARG CB C 13 34.467 0.5 . . . . . A 78 ARG CB . 25700 1 857 . 1 1 78 78 ARG CG C 13 26.857 0.5 . . . . . A 78 ARG CG . 25700 1 858 . 1 1 78 78 ARG CD C 13 43.533 0.5 . . . . . A 78 ARG CD . 25700 1 859 . 1 1 78 78 ARG N N 15 122.822 0.5 . . . . . A 78 ARG N . 25700 1 860 . 1 1 79 79 LEU H H 1 9.055 0.05 . . . . . A 79 LEU H . 25700 1 861 . 1 1 79 79 LEU HA H 1 5.440 0.05 . . . . . A 79 LEU HA . 25700 1 862 . 1 1 79 79 LEU HB2 H 1 0.795 0.05 . . . . . A 79 LEU HB2 . 25700 1 863 . 1 1 79 79 LEU HB3 H 1 2.460 0.05 . . . . . A 79 LEU HB3 . 25700 1 864 . 1 1 79 79 LEU HG H 1 0.516 0.05 . . . . . A 79 LEU HG . 25700 1 865 . 1 1 79 79 LEU HD11 H 1 0.844 0.05 . . . . . A 79 LEU HD11 . 25700 1 866 . 1 1 79 79 LEU HD12 H 1 0.844 0.05 . . . . . A 79 LEU HD12 . 25700 1 867 . 1 1 79 79 LEU HD13 H 1 0.844 0.05 . . . . . A 79 LEU HD13 . 25700 1 868 . 1 1 79 79 LEU HD21 H 1 0.844 0.05 . . . . . A 79 LEU HD21 . 25700 1 869 . 1 1 79 79 LEU HD22 H 1 0.844 0.05 . . . . . A 79 LEU HD22 . 25700 1 870 . 1 1 79 79 LEU HD23 H 1 0.844 0.05 . . . . . A 79 LEU HD23 . 25700 1 871 . 1 1 79 79 LEU C C 13 173.434 0.5 . . . . . A 79 LEU C . 25700 1 872 . 1 1 79 79 LEU CA C 13 53.186 0.5 . . . . . A 79 LEU CA . 25700 1 873 . 1 1 79 79 LEU CB C 13 45.369 0.5 . . . . . A 79 LEU CB . 25700 1 874 . 1 1 79 79 LEU CG C 13 26.909 0.5 . . . . . A 79 LEU CG . 25700 1 875 . 1 1 79 79 LEU CD1 C 13 25.680 0.5 . . . . . A 79 LEU CD1 . 25700 1 876 . 1 1 79 79 LEU CD2 C 13 25.880 0.5 . . . . . A 79 LEU CD2 . 25700 1 877 . 1 1 79 79 LEU N N 15 130.548 0.5 . . . . . A 79 LEU N . 25700 1 878 . 1 1 80 80 ASP H H 1 9.251 0.05 . . . . . A 80 ASP H . 25700 1 879 . 1 1 80 80 ASP HA H 1 5.480 0.05 . . . . . A 80 ASP HA . 25700 1 880 . 1 1 80 80 ASP HB2 H 1 2.544 0.05 . . . . . A 80 ASP HB2 . 25700 1 881 . 1 1 80 80 ASP HB3 H 1 2.598 0.05 . . . . . A 80 ASP HB3 . 25700 1 882 . 1 1 80 80 ASP C C 13 175.805 0.5 . . . . . A 80 ASP C . 25700 1 883 . 1 1 80 80 ASP CA C 13 53.794 0.5 . . . . . A 80 ASP CA . 25700 1 884 . 1 1 80 80 ASP CB C 13 44.119 0.5 . . . . . A 80 ASP CB . 25700 1 885 . 1 1 80 80 ASP N N 15 125.928 0.5 . . . . . A 80 ASP N . 25700 1 886 . 1 1 81 81 VAL H H 1 8.947 0.05 . . . . . A 81 VAL H . 25700 1 887 . 1 1 81 81 VAL HA H 1 4.843 0.05 . . . . . A 81 VAL HA . 25700 1 888 . 1 1 81 81 VAL HB H 1 1.840 0.05 . . . . . A 81 VAL HB . 25700 1 889 . 1 1 81 81 VAL HG11 H 1 0.904 0.05 . . . . . A 81 VAL HG11 . 25700 1 890 . 1 1 81 81 VAL HG12 H 1 0.904 0.05 . . . . . A 81 VAL HG12 . 25700 1 891 . 1 1 81 81 VAL HG13 H 1 0.904 0.05 . . . . . A 81 VAL HG13 . 25700 1 892 . 1 1 81 81 VAL HG21 H 1 0.690 0.05 . . . . . A 81 VAL HG21 . 25700 1 893 . 1 1 81 81 VAL HG22 H 1 0.690 0.05 . . . . . A 81 VAL HG22 . 25700 1 894 . 1 1 81 81 VAL HG23 H 1 0.690 0.05 . . . . . A 81 VAL HG23 . 25700 1 895 . 1 1 81 81 VAL C C 13 174.136 0.5 . . . . . A 81 VAL C . 25700 1 896 . 1 1 81 81 VAL CA C 13 61.438 0.5 . . . . . A 81 VAL CA . 25700 1 897 . 1 1 81 81 VAL CB C 13 35.299 0.5 . . . . . A 81 VAL CB . 25700 1 898 . 1 1 81 81 VAL CG1 C 13 21.650 0.5 . . . . . A 81 VAL CG1 . 25700 1 899 . 1 1 81 81 VAL CG2 C 13 22.140 0.5 . . . . . A 81 VAL CG2 . 25700 1 900 . 1 1 81 81 VAL N N 15 123.295 0.5 . . . . . A 81 VAL N . 25700 1 901 . 1 1 82 82 SER H H 1 9.026 0.05 . . . . . A 82 SER H . 25700 1 902 . 1 1 82 82 SER HA H 1 5.380 0.05 . . . . . A 82 SER HA . 25700 1 903 . 1 1 82 82 SER HB2 H 1 3.765 0.05 . . . . . A 82 SER HB2 . 25700 1 904 . 1 1 82 82 SER HB3 H 1 3.900 0.05 . . . . . A 82 SER HB3 . 25700 1 905 . 1 1 82 82 SER C C 13 173.016 0.5 . . . . . A 82 SER C . 25700 1 906 . 1 1 82 82 SER CA C 13 57.195 0.5 . . . . . A 82 SER CA . 25700 1 907 . 1 1 82 82 SER CB C 13 64.477 0.5 . . . . . A 82 SER CB . 25700 1 908 . 1 1 82 82 SER N N 15 122.698 0.5 . . . . . A 82 SER N . 25700 1 909 . 1 1 83 83 PHE H H 1 9.012 0.05 . . . . . A 83 PHE H . 25700 1 910 . 1 1 83 83 PHE HA H 1 4.781 0.05 . . . . . A 83 PHE HA . 25700 1 911 . 1 1 83 83 PHE HB2 H 1 2.765 0.05 . . . . . A 83 PHE HB2 . 25700 1 912 . 1 1 83 83 PHE HB3 H 1 2.962 0.05 . . . . . A 83 PHE HB3 . 25700 1 913 . 1 1 83 83 PHE HD2 H 1 7.133 0.05 . . . . . A 83 PHE HD2 . 25700 1 914 . 1 1 83 83 PHE HE2 H 1 7.272 0.05 . . . . . A 83 PHE HE2 . 25700 1 915 . 1 1 83 83 PHE C C 13 174.741 0.5 . . . . . A 83 PHE C . 25700 1 916 . 1 1 83 83 PHE CA C 13 57.376 0.5 . . . . . A 83 PHE CA . 25700 1 917 . 1 1 83 83 PHE CB C 13 42.094 0.5 . . . . . A 83 PHE CB . 25700 1 918 . 1 1 83 83 PHE CD2 C 13 133.870 0.5 . . . . . A 83 PHE CD2 . 25700 1 919 . 1 1 83 83 PHE CE2 C 13 132.028 0.5 . . . . . A 83 PHE CE2 . 25700 1 920 . 1 1 83 83 PHE N N 15 127.305 0.5 . . . . . A 83 PHE N . 25700 1 921 . 1 1 84 84 GLY H H 1 8.784 0.05 . . . . . A 84 GLY H . 25700 1 922 . 1 1 84 84 GLY HA2 H 1 3.518 0.05 . . . . . A 84 GLY HA2 . 25700 1 923 . 1 1 84 84 GLY HA3 H 1 3.813 0.05 . . . . . A 84 GLY HA3 . 25700 1 924 . 1 1 84 84 GLY C C 13 175.295 0.5 . . . . . A 84 GLY C . 25700 1 925 . 1 1 84 84 GLY CA C 13 47.086 0.5 . . . . . A 84 GLY CA . 25700 1 926 . 1 1 84 84 GLY N N 15 117.337 0.5 . . . . . A 84 GLY N . 25700 1 927 . 1 1 85 85 SER H H 1 8.687 0.05 . . . . . A 85 SER H . 25700 1 928 . 1 1 85 85 SER HA H 1 4.383 0.05 . . . . . A 85 SER HA . 25700 1 929 . 1 1 85 85 SER HB2 H 1 3.903 0.05 . . . . . A 85 SER HB2 . 25700 1 930 . 1 1 85 85 SER HB3 H 1 4.085 0.05 . . . . . A 85 SER HB3 . 25700 1 931 . 1 1 85 85 SER C C 13 173.796 0.5 . . . . . A 85 SER C . 25700 1 932 . 1 1 85 85 SER CA C 13 59.095 0.5 . . . . . A 85 SER CA . 25700 1 933 . 1 1 85 85 SER CB C 13 63.360 0.5 . . . . . A 85 SER CB . 25700 1 934 . 1 1 85 85 SER N N 15 120.553 0.5 . . . . . A 85 SER N . 25700 1 935 . 1 1 86 86 VAL H H 1 7.963 0.05 . . . . . A 86 VAL H . 25700 1 936 . 1 1 86 86 VAL HA H 1 4.504 0.05 . . . . . A 86 VAL HA . 25700 1 937 . 1 1 86 86 VAL HB H 1 2.337 0.05 . . . . . A 86 VAL HB . 25700 1 938 . 1 1 86 86 VAL HG11 H 1 1.084 0.05 . . . . . A 86 VAL HG11 . 25700 1 939 . 1 1 86 86 VAL HG12 H 1 1.084 0.05 . . . . . A 86 VAL HG12 . 25700 1 940 . 1 1 86 86 VAL HG13 H 1 1.084 0.05 . . . . . A 86 VAL HG13 . 25700 1 941 . 1 1 86 86 VAL HG21 H 1 1.084 0.05 . . . . . A 86 VAL HG21 . 25700 1 942 . 1 1 86 86 VAL HG22 H 1 1.084 0.05 . . . . . A 86 VAL HG22 . 25700 1 943 . 1 1 86 86 VAL HG23 H 1 1.084 0.05 . . . . . A 86 VAL HG23 . 25700 1 944 . 1 1 86 86 VAL C C 13 174.888 0.5 . . . . . A 86 VAL C . 25700 1 945 . 1 1 86 86 VAL CA C 13 61.610 0.5 . . . . . A 86 VAL CA . 25700 1 946 . 1 1 86 86 VAL CB C 13 34.210 0.5 . . . . . A 86 VAL CB . 25700 1 947 . 1 1 86 86 VAL CG1 C 13 21.150 0.5 . . . . . A 86 VAL CG1 . 25700 1 948 . 1 1 86 86 VAL CG2 C 13 21.610 0.5 . . . . . A 86 VAL CG2 . 25700 1 949 . 1 1 86 86 VAL N N 15 121.297 0.5 . . . . . A 86 VAL N . 25700 1 950 . 1 1 87 87 THR H H 1 8.302 0.05 . . . . . A 87 THR H . 25700 1 951 . 1 1 87 87 THR HA H 1 5.551 0.05 . . . . . A 87 THR HA . 25700 1 952 . 1 1 87 87 THR HB H 1 4.002 0.05 . . . . . A 87 THR HB . 25700 1 953 . 1 1 87 87 THR HG21 H 1 1.136 0.05 . . . . . A 87 THR HG21 . 25700 1 954 . 1 1 87 87 THR HG22 H 1 1.136 0.05 . . . . . A 87 THR HG22 . 25700 1 955 . 1 1 87 87 THR HG23 H 1 1.136 0.05 . . . . . A 87 THR HG23 . 25700 1 956 . 1 1 87 87 THR C C 13 174.271 0.5 . . . . . A 87 THR C . 25700 1 957 . 1 1 87 87 THR CA C 13 60.550 0.5 . . . . . A 87 THR CA . 25700 1 958 . 1 1 87 87 THR CB C 13 71.350 0.5 . . . . . A 87 THR CB . 25700 1 959 . 1 1 87 87 THR CG2 C 13 21.427 0.5 . . . . . A 87 THR CG2 . 25700 1 960 . 1 1 87 87 THR N N 15 119.631 0.5 . . . . . A 87 THR N . 25700 1 961 . 1 1 88 88 ILE H H 1 8.986 0.05 . . . . . A 88 ILE H . 25700 1 962 . 1 1 88 88 ILE HA H 1 4.858 0.05 . . . . . A 88 ILE HA . 25700 1 963 . 1 1 88 88 ILE HB H 1 1.928 0.05 . . . . . A 88 ILE HB . 25700 1 964 . 1 1 88 88 ILE HG12 H 1 0.885 0.05 . . . . . A 88 ILE HG12 . 25700 1 965 . 1 1 88 88 ILE HG13 H 1 1.271 0.05 . . . . . A 88 ILE HG13 . 25700 1 966 . 1 1 88 88 ILE HG21 H 1 0.870 0.05 . . . . . A 88 ILE HG21 . 25700 1 967 . 1 1 88 88 ILE HG22 H 1 0.870 0.05 . . . . . A 88 ILE HG22 . 25700 1 968 . 1 1 88 88 ILE HG23 H 1 0.870 0.05 . . . . . A 88 ILE HG23 . 25700 1 969 . 1 1 88 88 ILE HD11 H 1 0.667 0.05 . . . . . A 88 ILE HD11 . 25700 1 970 . 1 1 88 88 ILE HD12 H 1 0.667 0.05 . . . . . A 88 ILE HD12 . 25700 1 971 . 1 1 88 88 ILE HD13 H 1 0.667 0.05 . . . . . A 88 ILE HD13 . 25700 1 972 . 1 1 88 88 ILE C C 13 174.300 0.5 . . . . . A 88 ILE C . 25700 1 973 . 1 1 88 88 ILE CA C 13 59.380 0.5 . . . . . A 88 ILE CA . 25700 1 974 . 1 1 88 88 ILE CB C 13 43.170 0.5 . . . . . A 88 ILE CB . 25700 1 975 . 1 1 88 88 ILE CG1 C 13 26.971 0.5 . . . . . A 88 ILE CG1 . 25700 1 976 . 1 1 88 88 ILE CG2 C 13 18.292 0.5 . . . . . A 88 ILE CG2 . 25700 1 977 . 1 1 88 88 ILE CD1 C 13 15.513 0.5 . . . . . A 88 ILE CD1 . 25700 1 978 . 1 1 88 88 ILE N N 15 118.811 0.5 . . . . . A 88 ILE N . 25700 1 979 . 1 1 89 89 GLN H H 1 8.481 0.05 . . . . . A 89 GLN H . 25700 1 980 . 1 1 89 89 GLN HA H 1 5.814 0.05 . . . . . A 89 GLN HA . 25700 1 981 . 1 1 89 89 GLN HB2 H 1 1.940 0.05 . . . . . A 89 GLN HB2 . 25700 1 982 . 1 1 89 89 GLN HB3 H 1 1.990 0.05 . . . . . A 89 GLN HB3 . 25700 1 983 . 1 1 89 89 GLN HG2 H 1 1.965 0.05 . . . . . A 89 GLN HG2 . 25700 1 984 . 1 1 89 89 GLN HG3 H 1 1.965 0.05 . . . . . A 89 GLN HG3 . 25700 1 985 . 1 1 89 89 GLN C C 13 175.021 0.5 . . . . . A 89 GLN C . 25700 1 986 . 1 1 89 89 GLN CA C 13 54.171 0.5 . . . . . A 89 GLN CA . 25700 1 987 . 1 1 89 89 GLN CB C 13 34.262 0.5 . . . . . A 89 GLN CB . 25700 1 988 . 1 1 89 89 GLN CG C 13 34.182 0.5 . . . . . A 89 GLN CG . 25700 1 989 . 1 1 89 89 GLN N N 15 120.806 0.5 . . . . . A 89 GLN N . 25700 1 990 . 1 1 90 90 CYS H H 1 9.151 0.05 . . . . . A 90 CYS H . 25700 1 991 . 1 1 90 90 CYS HA H 1 5.010 0.05 . . . . . A 90 CYS HA . 25700 1 992 . 1 1 90 90 CYS HB2 H 1 3.545 0.05 . . . . . A 90 CYS HB2 . 25700 1 993 . 1 1 90 90 CYS HB3 H 1 3.209 0.05 . . . . . A 90 CYS HB3 . 25700 1 994 . 1 1 90 90 CYS C C 13 172.402 0.5 . . . . . A 90 CYS C . 25700 1 995 . 1 1 90 90 CYS CA C 13 54.874 0.5 . . . . . A 90 CYS CA . 25700 1 996 . 1 1 90 90 CYS CB C 13 50.267 0.5 . . . . . A 90 CYS CB . 25700 1 997 . 1 1 90 90 CYS N N 15 118.531 0.5 . . . . . A 90 CYS N . 25700 1 998 . 1 1 91 91 ASN H H 1 8.791 0.05 . . . . . A 91 ASN H . 25700 1 999 . 1 1 91 91 ASN HA H 1 5.615 0.05 . . . . . A 91 ASN HA . 25700 1 1000 . 1 1 91 91 ASN HB2 H 1 2.547 0.05 . . . . . A 91 ASN HB2 . 25700 1 1001 . 1 1 91 91 ASN HB3 H 1 2.547 0.05 . . . . . A 91 ASN HB3 . 25700 1 1002 . 1 1 91 91 ASN C C 13 174.994 0.5 . . . . . A 91 ASN C . 25700 1 1003 . 1 1 91 91 ASN CA C 13 52.484 0.5 . . . . . A 91 ASN CA . 25700 1 1004 . 1 1 91 91 ASN CB C 13 43.331 0.5 . . . . . A 91 ASN CB . 25700 1 1005 . 1 1 91 91 ASN N N 15 116.449 0.5 . . . . . A 91 ASN N . 25700 1 1006 . 1 1 92 92 LEU H H 1 8.597 0.05 . . . . . A 92 LEU H . 25700 1 1007 . 1 1 92 92 LEU HA H 1 4.286 0.05 . . . . . A 92 LEU HA . 25700 1 1008 . 1 1 92 92 LEU HB2 H 1 1.197 0.05 . . . . . A 92 LEU HB2 . 25700 1 1009 . 1 1 92 92 LEU HB3 H 1 1.857 0.05 . . . . . A 92 LEU HB3 . 25700 1 1010 . 1 1 92 92 LEU HG H 1 1.186 0.05 . . . . . A 92 LEU HG . 25700 1 1011 . 1 1 92 92 LEU HD11 H 1 0.694 0.05 . . . . . A 92 LEU HD11 . 25700 1 1012 . 1 1 92 92 LEU HD12 H 1 0.694 0.05 . . . . . A 92 LEU HD12 . 25700 1 1013 . 1 1 92 92 LEU HD13 H 1 0.694 0.05 . . . . . A 92 LEU HD13 . 25700 1 1014 . 1 1 92 92 LEU HD21 H 1 0.587 0.05 . . . . . A 92 LEU HD21 . 25700 1 1015 . 1 1 92 92 LEU HD22 H 1 0.587 0.05 . . . . . A 92 LEU HD22 . 25700 1 1016 . 1 1 92 92 LEU HD23 H 1 0.587 0.05 . . . . . A 92 LEU HD23 . 25700 1 1017 . 1 1 92 92 LEU C C 13 176.188 0.5 . . . . . A 92 LEU C . 25700 1 1018 . 1 1 92 92 LEU CA C 13 54.863 0.5 . . . . . A 92 LEU CA . 25700 1 1019 . 1 1 92 92 LEU CB C 13 45.064 0.5 . . . . . A 92 LEU CB . 25700 1 1020 . 1 1 92 92 LEU CG C 13 26.610 0.5 . . . . . A 92 LEU CG . 25700 1 1021 . 1 1 92 92 LEU CD1 C 13 23.410 0.5 . . . . . A 92 LEU CD1 . 25700 1 1022 . 1 1 92 92 LEU CD2 C 13 25.780 0.5 . . . . . A 92 LEU CD2 . 25700 1 1023 . 1 1 92 92 LEU N N 15 123.391 0.5 . . . . . A 92 LEU N . 25700 1 1024 . 1 1 93 93 ASP H H 1 9.146 0.05 . . . . . A 93 ASP H . 25700 1 1025 . 1 1 93 93 ASP HA H 1 5.160 0.05 . . . . . A 93 ASP HA . 25700 1 1026 . 1 1 93 93 ASP HB2 H 1 2.810 0.05 . . . . . A 93 ASP HB2 . 25700 1 1027 . 1 1 93 93 ASP HB3 H 1 3.027 0.05 . . . . . A 93 ASP HB3 . 25700 1 1028 . 1 1 93 93 ASP C C 13 175.761 0.5 . . . . . A 93 ASP C . 25700 1 1029 . 1 1 93 93 ASP CA C 13 50.948 0.5 . . . . . A 93 ASP CA . 25700 1 1030 . 1 1 93 93 ASP CB C 13 41.136 0.5 . . . . . A 93 ASP CB . 25700 1 1031 . 1 1 93 93 ASP N N 15 129.020 0.5 . . . . . A 93 ASP N . 25700 1 1032 . 1 1 94 94 PRO HA H 1 4.304 0.05 . . . . . A 94 PRO HA . 25700 1 1033 . 1 1 94 94 PRO HB2 H 1 2.635 0.05 . . . . . A 94 PRO HB2 . 25700 1 1034 . 1 1 94 94 PRO HB3 H 1 2.635 0.05 . . . . . A 94 PRO HB3 . 25700 1 1035 . 1 1 94 94 PRO HG2 H 1 2.147 0.05 . . . . . A 94 PRO HG2 . 25700 1 1036 . 1 1 94 94 PRO HG3 H 1 2.147 0.05 . . . . . A 94 PRO HG3 . 25700 1 1037 . 1 1 94 94 PRO HD2 H 1 4.100 0.05 . . . . . A 94 PRO HD2 . 25700 1 1038 . 1 1 94 94 PRO HD3 H 1 4.294 0.05 . . . . . A 94 PRO HD3 . 25700 1 1039 . 1 1 94 94 PRO C C 13 178.637 0.5 . . . . . A 94 PRO C . 25700 1 1040 . 1 1 94 94 PRO CA C 13 64.830 0.5 . . . . . A 94 PRO CA . 25700 1 1041 . 1 1 94 94 PRO CB C 13 32.579 0.5 . . . . . A 94 PRO CB . 25700 1 1042 . 1 1 94 94 PRO CG C 13 27.568 0.5 . . . . . A 94 PRO CG . 25700 1 1043 . 1 1 94 94 PRO CD C 13 51.689 0.5 . . . . . A 94 PRO CD . 25700 1 1044 . 1 1 95 95 GLU H H 1 8.358 0.05 . . . . . A 95 GLU H . 25700 1 1045 . 1 1 95 95 GLU HA H 1 4.223 0.05 . . . . . A 95 GLU HA . 25700 1 1046 . 1 1 95 95 GLU HB2 H 1 2.036 0.05 . . . . . A 95 GLU HB2 . 25700 1 1047 . 1 1 95 95 GLU HB3 H 1 2.150 0.05 . . . . . A 95 GLU HB3 . 25700 1 1048 . 1 1 95 95 GLU HG2 H 1 2.295 0.05 . . . . . A 95 GLU HG2 . 25700 1 1049 . 1 1 95 95 GLU HG3 H 1 2.421 0.05 . . . . . A 95 GLU HG3 . 25700 1 1050 . 1 1 95 95 GLU C C 13 177.994 0.5 . . . . . A 95 GLU C . 25700 1 1051 . 1 1 95 95 GLU CA C 13 57.773 0.5 . . . . . A 95 GLU CA . 25700 1 1052 . 1 1 95 95 GLU CB C 13 29.084 0.5 . . . . . A 95 GLU CB . 25700 1 1053 . 1 1 95 95 GLU CG C 13 36.423 0.5 . . . . . A 95 GLU CG . 25700 1 1054 . 1 1 95 95 GLU N N 15 116.747 0.5 . . . . . A 95 GLU N . 25700 1 1055 . 1 1 96 96 THR H H 1 7.951 0.05 . . . . . A 96 THR H . 25700 1 1056 . 1 1 96 96 THR HA H 1 4.169 0.05 . . . . . A 96 THR HA . 25700 1 1057 . 1 1 96 96 THR HB H 1 4.362 0.05 . . . . . A 96 THR HB . 25700 1 1058 . 1 1 96 96 THR HG21 H 1 1.280 0.05 . . . . . A 96 THR HG21 . 25700 1 1059 . 1 1 96 96 THR HG22 H 1 1.280 0.05 . . . . . A 96 THR HG22 . 25700 1 1060 . 1 1 96 96 THR HG23 H 1 1.280 0.05 . . . . . A 96 THR HG23 . 25700 1 1061 . 1 1 96 96 THR C C 13 175.238 0.5 . . . . . A 96 THR C . 25700 1 1062 . 1 1 96 96 THR CA C 13 63.038 0.5 . . . . . A 96 THR CA . 25700 1 1063 . 1 1 96 96 THR CB C 13 69.640 0.5 . . . . . A 96 THR CB . 25700 1 1064 . 1 1 96 96 THR CG2 C 13 21.932 0.5 . . . . . A 96 THR CG2 . 25700 1 1065 . 1 1 96 96 THR N N 15 109.182 0.5 . . . . . A 96 THR N . 25700 1 1066 . 1 1 97 97 VAL H H 1 7.175 0.05 . . . . . A 97 VAL H . 25700 1 1067 . 1 1 97 97 VAL HA H 1 3.770 0.05 . . . . . A 97 VAL HA . 25700 1 1068 . 1 1 97 97 VAL HB H 1 2.214 0.05 . . . . . A 97 VAL HB . 25700 1 1069 . 1 1 97 97 VAL HG11 H 1 0.628 0.05 . . . . . A 97 VAL HG11 . 25700 1 1070 . 1 1 97 97 VAL HG12 H 1 0.628 0.05 . . . . . A 97 VAL HG12 . 25700 1 1071 . 1 1 97 97 VAL HG13 H 1 0.628 0.05 . . . . . A 97 VAL HG13 . 25700 1 1072 . 1 1 97 97 VAL HG21 H 1 0.837 0.05 . . . . . A 97 VAL HG21 . 25700 1 1073 . 1 1 97 97 VAL HG22 H 1 0.837 0.05 . . . . . A 97 VAL HG22 . 25700 1 1074 . 1 1 97 97 VAL HG23 H 1 0.837 0.05 . . . . . A 97 VAL HG23 . 25700 1 1075 . 1 1 97 97 VAL C C 13 174.851 0.5 . . . . . A 97 VAL C . 25700 1 1076 . 1 1 97 97 VAL CA C 13 63.272 0.5 . . . . . A 97 VAL CA . 25700 1 1077 . 1 1 97 97 VAL CB C 13 30.627 0.5 . . . . . A 97 VAL CB . 25700 1 1078 . 1 1 97 97 VAL CG1 C 13 21.570 0.5 . . . . . A 97 VAL CG1 . 25700 1 1079 . 1 1 97 97 VAL CG2 C 13 22.020 0.5 . . . . . A 97 VAL CG2 . 25700 1 1080 . 1 1 97 97 VAL N N 15 121.118 0.5 . . . . . A 97 VAL N . 25700 1 1081 . 1 1 98 98 LYS H H 1 7.712 0.05 . . . . . A 98 LYS H . 25700 1 1082 . 1 1 98 98 LYS HA H 1 4.385 0.05 . . . . . A 98 LYS HA . 25700 1 1083 . 1 1 98 98 LYS HB2 H 1 1.726 0.05 . . . . . A 98 LYS HB2 . 25700 1 1084 . 1 1 98 98 LYS HB3 H 1 1.861 0.05 . . . . . A 98 LYS HB3 . 25700 1 1085 . 1 1 98 98 LYS HG2 H 1 1.350 0.05 . . . . . A 98 LYS HG2 . 25700 1 1086 . 1 1 98 98 LYS HG3 H 1 1.370 0.05 . . . . . A 98 LYS HG3 . 25700 1 1087 . 1 1 98 98 LYS HD2 H 1 1.662 0.05 . . . . . A 98 LYS HD2 . 25700 1 1088 . 1 1 98 98 LYS HD3 H 1 1.662 0.05 . . . . . A 98 LYS HD3 . 25700 1 1089 . 1 1 98 98 LYS HE2 H 1 2.982 0.05 . . . . . A 98 LYS HE2 . 25700 1 1090 . 1 1 98 98 LYS HE3 H 1 2.982 0.05 . . . . . A 98 LYS HE3 . 25700 1 1091 . 1 1 98 98 LYS C C 13 175.612 0.5 . . . . . A 98 LYS C . 25700 1 1092 . 1 1 98 98 LYS CA C 13 55.812 0.5 . . . . . A 98 LYS CA . 25700 1 1093 . 1 1 98 98 LYS CB C 13 33.804 0.5 . . . . . A 98 LYS CB . 25700 1 1094 . 1 1 98 98 LYS CG C 13 24.517 0.5 . . . . . A 98 LYS CG . 25700 1 1095 . 1 1 98 98 LYS CD C 13 29.251 0.5 . . . . . A 98 LYS CD . 25700 1 1096 . 1 1 98 98 LYS CE C 13 42.179 0.5 . . . . . A 98 LYS CE . 25700 1 1097 . 1 1 98 98 LYS N N 15 123.245 0.5 . . . . . A 98 LYS N . 25700 1 1098 . 1 1 99 99 LEU H H 1 8.110 0.05 . . . . . A 99 LEU H . 25700 1 1099 . 1 1 99 99 LEU HA H 1 4.123 0.05 . . . . . A 99 LEU HA . 25700 1 1100 . 1 1 99 99 LEU HB2 H 1 1.484 0.05 . . . . . A 99 LEU HB2 . 25700 1 1101 . 1 1 99 99 LEU HB3 H 1 1.484 0.05 . . . . . A 99 LEU HB3 . 25700 1 1102 . 1 1 99 99 LEU HG H 1 1.515 0.05 . . . . . A 99 LEU HG . 25700 1 1103 . 1 1 99 99 LEU HD11 H 1 0.841 0.05 . . . . . A 99 LEU HD11 . 25700 1 1104 . 1 1 99 99 LEU HD12 H 1 0.841 0.05 . . . . . A 99 LEU HD12 . 25700 1 1105 . 1 1 99 99 LEU HD13 H 1 0.841 0.05 . . . . . A 99 LEU HD13 . 25700 1 1106 . 1 1 99 99 LEU HD21 H 1 0.743 0.05 . . . . . A 99 LEU HD21 . 25700 1 1107 . 1 1 99 99 LEU HD22 H 1 0.743 0.05 . . . . . A 99 LEU HD22 . 25700 1 1108 . 1 1 99 99 LEU HD23 H 1 0.743 0.05 . . . . . A 99 LEU HD23 . 25700 1 1109 . 1 1 99 99 LEU C C 13 177.160 0.5 . . . . . A 99 LEU C . 25700 1 1110 . 1 1 99 99 LEU CA C 13 55.309 0.5 . . . . . A 99 LEU CA . 25700 1 1111 . 1 1 99 99 LEU CB C 13 42.319 0.5 . . . . . A 99 LEU CB . 25700 1 1112 . 1 1 99 99 LEU CG C 13 26.940 0.5 . . . . . A 99 LEU CG . 25700 1 1113 . 1 1 99 99 LEU CD1 C 13 24.990 0.5 . . . . . A 99 LEU CD1 . 25700 1 1114 . 1 1 99 99 LEU CD2 C 13 23.710 0.5 . . . . . A 99 LEU CD2 . 25700 1 1115 . 1 1 99 99 LEU N N 15 122.457 0.5 . . . . . A 99 LEU N . 25700 1 1116 . 1 1 100 100 GLU H H 1 8.340 0.05 . . . . . A 100 GLU H . 25700 1 1117 . 1 1 100 100 GLU HA H 1 4.151 0.05 . . . . . A 100 GLU HA . 25700 1 1118 . 1 1 100 100 GLU HB2 H 1 1.877 0.05 . . . . . A 100 GLU HB2 . 25700 1 1119 . 1 1 100 100 GLU HB3 H 1 1.877 0.05 . . . . . A 100 GLU HB3 . 25700 1 1120 . 1 1 100 100 GLU HG2 H 1 2.088 0.05 . . . . . A 100 GLU HG2 . 25700 1 1121 . 1 1 100 100 GLU HG3 H 1 2.176 0.05 . . . . . A 100 GLU HG3 . 25700 1 1122 . 1 1 100 100 GLU C C 13 176.070 0.5 . . . . . A 100 GLU C . 25700 1 1123 . 1 1 100 100 GLU CA C 13 56.740 0.5 . . . . . A 100 GLU CA . 25700 1 1124 . 1 1 100 100 GLU CB C 13 30.060 0.5 . . . . . A 100 GLU CB . 25700 1 1125 . 1 1 100 100 GLU CG C 13 36.073 0.5 . . . . . A 100 GLU CG . 25700 1 1126 . 1 1 100 100 GLU N N 15 120.800 0.5 . . . . . A 100 GLU N . 25700 1 1127 . 1 1 101 101 HIS H H 1 8.252 0.05 . . . . . A 101 HIS H . 25700 1 1128 . 1 1 101 101 HIS CA C 13 56.000 0.5 . . . . . A 101 HIS CA . 25700 1 1129 . 1 1 101 101 HIS CB C 13 30.350 0.5 . . . . . A 101 HIS CB . 25700 1 1130 . 1 1 101 101 HIS N N 15 119.861 0.5 . . . . . A 101 HIS N . 25700 1 stop_ save_