data_36097 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36097 _Entry.Title ; Structure of FLN IG21 domain in complex with C-terminal peptide of beta-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-07 _Entry.Accession_date 2017-08-23 _Entry.Last_release_date 2017-08-23 _Entry.Original_release_date 2017-08-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 D. Chatterjee D. . . . 36097 2 L. Lu L. Z. . . 36097 3 S. Bhattacharjya S. . . . 36097 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Integrin . 36097 'SIGNALING PROTEIN' . 36097 'cytosolic tail' . 36097 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36097 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 159 36097 '15N chemical shifts' 87 36097 '1H chemical shifts' 361 36097 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 . . 2018-06-18 . original BMRB . 36097 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5XR1 'BMRB Entry Tracking System' 36097 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36097 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure of FLN IG21 domain in complex with C-terminal peptide of beta-2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Chatterjee D. . . . 36097 1 2 L. Lu L. Z. . . 36097 1 3 S. Bhattachrjya S. . . . 36097 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36097 _Assembly.ID 1 _Assembly.Name 'FLN IG21 domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 1 $entity_1 A A yes . . . . . . 36097 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36097 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FLN IG21 domain' _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 ; PLFKSATTTVMNGASGSGAS GSGGAHKVRAGGPGLERAEA GVPAEFSIWTREAGAGGLAI AVEGPSKAEISFEDRKDGSC GVAYVVQEPGDYEVSVKFNE EHIPDSPFVVPVASPS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'UNP residues 2236-2329' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11716.865 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ABP-280 na 36097 1 'Actin-binding protein 280' na 36097 1 Alpha-filamin na 36097 1 'Endothelial actin-binding protein' na 36097 1 FLN-A na 36097 1 Filamin-1 na 36097 1 'Non-muscle filamin' na 36097 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 PRO . 36097 1 2 2 LEU . 36097 1 3 3 PHE . 36097 1 4 4 LYS . 36097 1 5 5 SER . 36097 1 6 6 ALA . 36097 1 7 7 THR . 36097 1 8 8 THR . 36097 1 9 9 THR . 36097 1 10 10 VAL . 36097 1 11 11 MET . 36097 1 12 12 ASN . 36097 1 13 13 GLY . 36097 1 14 14 ALA . 36097 1 15 15 SER . 36097 1 16 16 GLY . 36097 1 17 17 SER . 36097 1 18 18 GLY . 36097 1 19 19 ALA . 36097 1 20 20 SER . 36097 1 21 21 GLY . 36097 1 22 22 SER . 36097 1 23 23 GLY . 36097 1 24 24 GLY . 36097 1 25 25 ALA . 36097 1 26 26 HIS . 36097 1 27 27 LYS . 36097 1 28 28 VAL . 36097 1 29 29 ARG . 36097 1 30 30 ALA . 36097 1 31 31 GLY . 36097 1 32 32 GLY . 36097 1 33 33 PRO . 36097 1 34 34 GLY . 36097 1 35 35 LEU . 36097 1 36 36 GLU . 36097 1 37 37 ARG . 36097 1 38 38 ALA . 36097 1 39 39 GLU . 36097 1 40 40 ALA . 36097 1 41 41 GLY . 36097 1 42 42 VAL . 36097 1 43 43 PRO . 36097 1 44 44 ALA . 36097 1 45 45 GLU . 36097 1 46 46 PHE . 36097 1 47 47 SER . 36097 1 48 48 ILE . 36097 1 49 49 TRP . 36097 1 50 50 THR . 36097 1 51 51 ARG . 36097 1 52 52 GLU . 36097 1 53 53 ALA . 36097 1 54 54 GLY . 36097 1 55 55 ALA . 36097 1 56 56 GLY . 36097 1 57 57 GLY . 36097 1 58 58 LEU . 36097 1 59 59 ALA . 36097 1 60 60 ILE . 36097 1 61 61 ALA . 36097 1 62 62 VAL . 36097 1 63 63 GLU . 36097 1 64 64 GLY . 36097 1 65 65 PRO . 36097 1 66 66 SER . 36097 1 67 67 LYS . 36097 1 68 68 ALA . 36097 1 69 69 GLU . 36097 1 70 70 ILE . 36097 1 71 71 SER . 36097 1 72 72 PHE . 36097 1 73 73 GLU . 36097 1 74 74 ASP . 36097 1 75 75 ARG . 36097 1 76 76 LYS . 36097 1 77 77 ASP . 36097 1 78 78 GLY . 36097 1 79 79 SER . 36097 1 80 80 CYS . 36097 1 81 81 GLY . 36097 1 82 82 VAL . 36097 1 83 83 ALA . 36097 1 84 84 TYR . 36097 1 85 85 VAL . 36097 1 86 86 VAL . 36097 1 87 87 GLN . 36097 1 88 88 GLU . 36097 1 89 89 PRO . 36097 1 90 90 GLY . 36097 1 91 91 ASP . 36097 1 92 92 TYR . 36097 1 93 93 GLU . 36097 1 94 94 VAL . 36097 1 95 95 SER . 36097 1 96 96 VAL . 36097 1 97 97 LYS . 36097 1 98 98 PHE . 36097 1 99 99 ASN . 36097 1 100 100 GLU . 36097 1 101 101 GLU . 36097 1 102 102 HIS . 36097 1 103 103 ILE . 36097 1 104 104 PRO . 36097 1 105 105 ASP . 36097 1 106 106 SER . 36097 1 107 107 PRO . 36097 1 108 108 PHE . 36097 1 109 109 VAL . 36097 1 110 110 VAL . 36097 1 111 111 PRO . 36097 1 112 112 VAL . 36097 1 113 113 ALA . 36097 1 114 114 SER . 36097 1 115 115 PRO . 36097 1 116 116 SER . 36097 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 . PRO 1 1 36097 1 . LEU 2 2 36097 1 . PHE 3 3 36097 1 . LYS 4 4 36097 1 . SER 5 5 36097 1 . ALA 6 6 36097 1 . THR 7 7 36097 1 . THR 8 8 36097 1 . THR 9 9 36097 1 . VAL 10 10 36097 1 . MET 11 11 36097 1 . ASN 12 12 36097 1 . GLY 13 13 36097 1 . ALA 14 14 36097 1 . SER 15 15 36097 1 . GLY 16 16 36097 1 . SER 17 17 36097 1 . GLY 18 18 36097 1 . ALA 19 19 36097 1 . SER 20 20 36097 1 . GLY 21 21 36097 1 . SER 22 22 36097 1 . GLY 23 23 36097 1 . GLY 24 24 36097 1 . ALA 25 25 36097 1 . HIS 26 26 36097 1 . LYS 27 27 36097 1 . VAL 28 28 36097 1 . ARG 29 29 36097 1 . ALA 30 30 36097 1 . GLY 31 31 36097 1 . GLY 32 32 36097 1 . PRO 33 33 36097 1 . GLY 34 34 36097 1 . LEU 35 35 36097 1 . GLU 36 36 36097 1 . ARG 37 37 36097 1 . ALA 38 38 36097 1 . GLU 39 39 36097 1 . ALA 40 40 36097 1 . GLY 41 41 36097 1 . VAL 42 42 36097 1 . PRO 43 43 36097 1 . ALA 44 44 36097 1 . GLU 45 45 36097 1 . PHE 46 46 36097 1 . SER 47 47 36097 1 . ILE 48 48 36097 1 . TRP 49 49 36097 1 . THR 50 50 36097 1 . ARG 51 51 36097 1 . GLU 52 52 36097 1 . ALA 53 53 36097 1 . GLY 54 54 36097 1 . ALA 55 55 36097 1 . GLY 56 56 36097 1 . GLY 57 57 36097 1 . LEU 58 58 36097 1 . ALA 59 59 36097 1 . ILE 60 60 36097 1 . ALA 61 61 36097 1 . VAL 62 62 36097 1 . GLU 63 63 36097 1 . GLY 64 64 36097 1 . PRO 65 65 36097 1 . SER 66 66 36097 1 . LYS 67 67 36097 1 . ALA 68 68 36097 1 . GLU 69 69 36097 1 . ILE 70 70 36097 1 . SER 71 71 36097 1 . PHE 72 72 36097 1 . GLU 73 73 36097 1 . ASP 74 74 36097 1 . ARG 75 75 36097 1 . LYS 76 76 36097 1 . ASP 77 77 36097 1 . GLY 78 78 36097 1 . SER 79 79 36097 1 . CYS 80 80 36097 1 . GLY 81 81 36097 1 . VAL 82 82 36097 1 . ALA 83 83 36097 1 . TYR 84 84 36097 1 . VAL 85 85 36097 1 . VAL 86 86 36097 1 . GLN 87 87 36097 1 . GLU 88 88 36097 1 . PRO 89 89 36097 1 . GLY 90 90 36097 1 . ASP 91 91 36097 1 . TYR 92 92 36097 1 . GLU 93 93 36097 1 . VAL 94 94 36097 1 . SER 95 95 36097 1 . VAL 96 96 36097 1 . LYS 97 97 36097 1 . PHE 98 98 36097 1 . ASN 99 99 36097 1 . GLU 100 100 36097 1 . GLU 101 101 36097 1 . HIS 102 102 36097 1 . ILE 103 103 36097 1 . PRO 104 104 36097 1 . ASP 105 105 36097 1 . SER 106 106 36097 1 . PRO 107 107 36097 1 . PHE 108 108 36097 1 . VAL 109 109 36097 1 . VAL 110 110 36097 1 . PRO 111 111 36097 1 . VAL 112 112 36097 1 . ALA 113 113 36097 1 . SER 114 114 36097 1 . PRO 115 115 36097 1 . SER 116 116 36097 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 36097 _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_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'FLNA, FLN, FLN1' . 36097 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 36097 _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_1 . 'recombinant technology' 'BAC cloning vector attB-P[acman]-ApR-F-2-5-attB' . . 412171 . . . . . . . . . . . . 36097 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36097 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-13C; U-15N] FLN IG21 domain, 90% H2O/10% D2O' _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 'FLN IG21 domain' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 300 . . uM . . . . 36097 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36097 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36097 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36097 _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 36097 1 pH 6.2 . pH 36097 1 pressure 1 . atm 36097 1 temperature 298 . K 36097 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36097 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 36097 1 'Guntert, Mumenthaler and Wuthrich' . . 36097 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36097 1 'structure calculation' 36097 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36097 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36097 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36097 2 'peak picking' 36097 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36097 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36097 _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 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 36097 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 36097 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36097 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36097 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36097 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36097 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36097 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36097 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36097 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36097 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36097 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36097 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36097 _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 $chem_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' 1 $sample_1 isotropic 36097 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36097 1 3 '3D HNCACB' 1 $sample_1 isotropic 36097 1 4 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36097 1 5 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36097 1 6 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36097 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU H H 1 7.776 0.008 . . . . . . A 2 LEU H . 36097 1 2 . 1 1 2 2 LEU HA H 1 4.154 0 . . . . . . A 2 LEU HA . 36097 1 3 . 1 1 2 2 LEU HB2 H 1 1.374 0 . . . . . . A 2 LEU HB2 . 36097 1 4 . 1 1 2 2 LEU HG H 1 1.196 0 . . . . . . A 2 LEU HG . 36097 1 5 . 1 1 2 2 LEU HD11 H 1 0.634 0 . . . . . . A 2 LEU HD11 . 36097 1 6 . 1 1 2 2 LEU HD12 H 1 0.634 0 . . . . . . A 2 LEU HD12 . 36097 1 7 . 1 1 2 2 LEU HD13 H 1 0.634 0 . . . . . . A 2 LEU HD13 . 36097 1 8 . 1 1 2 2 LEU CA C 13 54.709 0 . . . . . . A 2 LEU CA . 36097 1 9 . 1 1 2 2 LEU CB C 13 44.977 0 . . . . . . A 2 LEU CB . 36097 1 10 . 1 1 2 2 LEU N N 15 121.044 0 . . . . . . A 2 LEU N . 36097 1 11 . 1 1 5 5 SER H H 1 8.169 0.114 . . . . . . A 5 SER H . 36097 1 12 . 1 1 5 5 SER HA H 1 4.476 0 . . . . . . A 5 SER HA . 36097 1 13 . 1 1 5 5 SER HB2 H 1 3.867 0 . . . . . . A 5 SER HB2 . 36097 1 14 . 1 1 5 5 SER CA C 13 58.994 0 . . . . . . A 5 SER CA . 36097 1 15 . 1 1 5 5 SER CB C 13 64.546 0 . . . . . . A 5 SER CB . 36097 1 16 . 1 1 5 5 SER N N 15 115.328 0.015 . . . . . . A 5 SER N . 36097 1 17 . 1 1 6 6 ALA H H 1 8.651 0.004 . . . . . . A 6 ALA H . 36097 1 18 . 1 1 6 6 ALA HA H 1 4.867 0 . . . . . . A 6 ALA HA . 36097 1 19 . 1 1 6 6 ALA HB1 H 1 1.278 0 . . . . . . A 6 ALA HB1 . 36097 1 20 . 1 1 6 6 ALA HB2 H 1 1.278 0 . . . . . . A 6 ALA HB2 . 36097 1 21 . 1 1 6 6 ALA HB3 H 1 1.278 0 . . . . . . A 6 ALA HB3 . 36097 1 22 . 1 1 6 6 ALA CA C 13 52.04 0 . . . . . . A 6 ALA CA . 36097 1 23 . 1 1 6 6 ALA CB C 13 23.64 0 . . . . . . A 6 ALA CB . 36097 1 24 . 1 1 6 6 ALA N N 15 126.49 0.008 . . . . . . A 6 ALA N . 36097 1 25 . 1 1 7 7 THR H H 1 8.839 0.002 . . . . . . A 7 THR H . 36097 1 26 . 1 1 7 7 THR HA H 1 5.216 0.213 . . . . . . A 7 THR HA . 36097 1 27 . 1 1 7 7 THR HG21 H 1 0.864 0.003 . . . . . . A 7 THR HG21 . 36097 1 28 . 1 1 7 7 THR HG22 H 1 0.864 0.003 . . . . . . A 7 THR HG22 . 36097 1 29 . 1 1 7 7 THR HG23 H 1 0.864 0.003 . . . . . . A 7 THR HG23 . 36097 1 30 . 1 1 7 7 THR CA C 13 61.788 0 . . . . . . A 7 THR CA . 36097 1 31 . 1 1 7 7 THR CB C 13 71.055 0 . . . . . . A 7 THR CB . 36097 1 32 . 1 1 7 7 THR N N 15 115.75 0.128 . . . . . . A 7 THR N . 36097 1 33 . 1 1 8 8 THR H H 1 8.74 0.012 . . . . . . A 8 THR H . 36097 1 34 . 1 1 8 8 THR HA H 1 5.374 0 . . . . . . A 8 THR HA . 36097 1 35 . 1 1 8 8 THR HG21 H 1 0.504 0 . . . . . . A 8 THR HG21 . 36097 1 36 . 1 1 8 8 THR HG22 H 1 0.504 0 . . . . . . A 8 THR HG22 . 36097 1 37 . 1 1 8 8 THR HG23 H 1 0.504 0 . . . . . . A 8 THR HG23 . 36097 1 38 . 1 1 8 8 THR CA C 13 61.053 0 . . . . . . A 8 THR CA . 36097 1 39 . 1 1 8 8 THR CB C 13 70.429 0.037 . . . . . . A 8 THR CB . 36097 1 40 . 1 1 8 8 THR N N 15 117.313 0.033 . . . . . . A 8 THR N . 36097 1 41 . 1 1 11 11 MET H H 1 8.4 0.002 . . . . . . A 11 MET H . 36097 1 42 . 1 1 11 11 MET HA H 1 4.278 0 . . . . . . A 11 MET HA . 36097 1 43 . 1 1 11 11 MET HB2 H 1 1.703 0 . . . . . . A 11 MET HB2 . 36097 1 44 . 1 1 11 11 MET HG2 H 1 3.127 0 . . . . . . A 11 MET HG2 . 36097 1 45 . 1 1 11 11 MET CA C 13 57.005 0 . . . . . . A 11 MET CA . 36097 1 46 . 1 1 11 11 MET CB C 13 31.379 0 . . . . . . A 11 MET CB . 36097 1 47 . 1 1 11 11 MET N N 15 121.97 0 . . . . . . A 11 MET N . 36097 1 48 . 1 1 14 14 ALA H H 1 8.231 0.002 . . . . . . A 14 ALA H . 36097 1 49 . 1 1 14 14 ALA HA H 1 4.278 0 . . . . . . A 14 ALA HA . 36097 1 50 . 1 1 14 14 ALA HB1 H 1 1.305 0 . . . . . . A 14 ALA HB1 . 36097 1 51 . 1 1 14 14 ALA HB2 H 1 1.305 0 . . . . . . A 14 ALA HB2 . 36097 1 52 . 1 1 14 14 ALA HB3 H 1 1.305 0 . . . . . . A 14 ALA HB3 . 36097 1 53 . 1 1 14 14 ALA CA C 13 52.917 0 . . . . . . A 14 ALA CA . 36097 1 54 . 1 1 14 14 ALA CB C 13 20.049 0 . . . . . . A 14 ALA CB . 36097 1 55 . 1 1 14 14 ALA N N 15 123.486 0 . . . . . . A 14 ALA N . 36097 1 56 . 1 1 15 15 SER H H 1 8.322 0.001 . . . . . . A 15 SER H . 36097 1 57 . 1 1 15 15 SER HA H 1 4.312 0 . . . . . . A 15 SER HA . 36097 1 58 . 1 1 15 15 SER HB2 H 1 3.838 0 . . . . . . A 15 SER HB2 . 36097 1 59 . 1 1 15 15 SER CA C 13 59.237 0 . . . . . . A 15 SER CA . 36097 1 60 . 1 1 15 15 SER CB C 13 64.413 0 . . . . . . A 15 SER CB . 36097 1 61 . 1 1 15 15 SER N N 15 115.273 0.007 . . . . . . A 15 SER N . 36097 1 62 . 1 1 16 16 GLY H H 1 8.399 0.004 . . . . . . A 16 GLY H . 36097 1 63 . 1 1 16 16 GLY HA2 H 1 3.906 0 . . . . . . A 16 GLY HA2 . 36097 1 64 . 1 1 16 16 GLY CA C 13 45.976 0 . . . . . . A 16 GLY CA . 36097 1 65 . 1 1 16 16 GLY N N 15 110.611 0.029 . . . . . . A 16 GLY N . 36097 1 66 . 1 1 17 17 SER H H 1 8.204 0.006 . . . . . . A 17 SER H . 36097 1 67 . 1 1 17 17 SER HA H 1 4.5 0 . . . . . . A 17 SER HA . 36097 1 68 . 1 1 17 17 SER HB2 H 1 3.902 0 . . . . . . A 17 SER HB2 . 36097 1 69 . 1 1 17 17 SER CA C 13 58.932 0 . . . . . . A 17 SER CA . 36097 1 70 . 1 1 17 17 SER CB C 13 64.631 0 . . . . . . A 17 SER CB . 36097 1 71 . 1 1 17 17 SER N N 15 115.188 0.002 . . . . . . A 17 SER N . 36097 1 72 . 1 1 18 18 GLY H H 1 8.33 0.001 . . . . . . A 18 GLY H . 36097 1 73 . 1 1 18 18 GLY HA2 H 1 3.908 0 . . . . . . A 18 GLY HA2 . 36097 1 74 . 1 1 18 18 GLY CA C 13 45.98 0 . . . . . . A 18 GLY CA . 36097 1 75 . 1 1 18 18 GLY N N 15 110.901 0.004 . . . . . . A 18 GLY N . 36097 1 76 . 1 1 19 19 ALA H H 1 8.096 0.002 . . . . . . A 19 ALA H . 36097 1 77 . 1 1 19 19 ALA HA H 1 4.305 0 . . . . . . A 19 ALA HA . 36097 1 78 . 1 1 19 19 ALA HB1 H 1 1.292 0 . . . . . . A 19 ALA HB1 . 36097 1 79 . 1 1 19 19 ALA HB2 H 1 1.292 0 . . . . . . A 19 ALA HB2 . 36097 1 80 . 1 1 19 19 ALA HB3 H 1 1.292 0 . . . . . . A 19 ALA HB3 . 36097 1 81 . 1 1 19 19 ALA CA C 13 53.063 0 . . . . . . A 19 ALA CA . 36097 1 82 . 1 1 19 19 ALA CB C 13 19.976 0 . . . . . . A 19 ALA CB . 36097 1 83 . 1 1 19 19 ALA N N 15 123.73 0 . . . . . . A 19 ALA N . 36097 1 84 . 1 1 20 20 SER H H 1 8.321 0.001 . . . . . . A 20 SER H . 36097 1 85 . 1 1 20 20 SER HA H 1 4.313 0 . . . . . . A 20 SER HA . 36097 1 86 . 1 1 20 20 SER HB2 H 1 3.836 0 . . . . . . A 20 SER HB2 . 36097 1 87 . 1 1 20 20 SER CA C 13 59.236 0 . . . . . . A 20 SER CA . 36097 1 88 . 1 1 20 20 SER CB C 13 64.411 0 . . . . . . A 20 SER CB . 36097 1 89 . 1 1 20 20 SER N N 15 115.272 0.006 . . . . . . A 20 SER N . 36097 1 90 . 1 1 21 21 GLY H H 1 8.37 0.002 . . . . . . A 21 GLY H . 36097 1 91 . 1 1 21 21 GLY HA2 H 1 3.922 0 . . . . . . A 21 GLY HA2 . 36097 1 92 . 1 1 21 21 GLY CA C 13 46.05 0 . . . . . . A 21 GLY CA . 36097 1 93 . 1 1 21 21 GLY N N 15 110.861 0.013 . . . . . . A 21 GLY N . 36097 1 94 . 1 1 22 22 SER H H 1 8.204 0.005 . . . . . . A 22 SER H . 36097 1 95 . 1 1 22 22 SER HA H 1 4.502 0 . . . . . . A 22 SER HA . 36097 1 96 . 1 1 22 22 SER HB2 H 1 3.906 0 . . . . . . A 22 SER HB2 . 36097 1 97 . 1 1 22 22 SER CA C 13 58.914 0 . . . . . . A 22 SER CA . 36097 1 98 . 1 1 22 22 SER CB C 13 64.626 0 . . . . . . A 22 SER CB . 36097 1 99 . 1 1 22 22 SER N N 15 115.191 0.01 . . . . . . A 22 SER N . 36097 1 100 . 1 1 23 23 GLY H H 1 8.525 0.001 . . . . . . A 23 GLY H . 36097 1 101 . 1 1 23 23 GLY HA2 H 1 3.908 0 . . . . . . A 23 GLY HA2 . 36097 1 102 . 1 1 23 23 GLY CA C 13 45.976 0 . . . . . . A 23 GLY CA . 36097 1 103 . 1 1 23 23 GLY N N 15 110.834 0.006 . . . . . . A 23 GLY N . 36097 1 104 . 1 1 24 24 GLY H H 1 8.384 0.009 . . . . . . A 24 GLY H . 36097 1 105 . 1 1 24 24 GLY HA2 H 1 4.619 0 . . . . . . A 24 GLY HA2 . 36097 1 106 . 1 1 24 24 GLY HA3 H 1 3.81 0 . . . . . . A 24 GLY HA3 . 36097 1 107 . 1 1 24 24 GLY CA C 13 46.123 0 . . . . . . A 24 GLY CA . 36097 1 108 . 1 1 24 24 GLY N N 15 108.051 0.008 . . . . . . A 24 GLY N . 36097 1 109 . 1 1 25 25 ALA H H 1 8.774 0.015 . . . . . . A 25 ALA H . 36097 1 110 . 1 1 25 25 ALA HA H 1 5.031 0 . . . . . . A 25 ALA HA . 36097 1 111 . 1 1 25 25 ALA HB1 H 1 1.579 0 . . . . . . A 25 ALA HB1 . 36097 1 112 . 1 1 25 25 ALA HB2 H 1 1.579 0 . . . . . . A 25 ALA HB2 . 36097 1 113 . 1 1 25 25 ALA HB3 H 1 1.579 0 . . . . . . A 25 ALA HB3 . 36097 1 114 . 1 1 25 25 ALA CA C 13 56.299 0 . . . . . . A 25 ALA CA . 36097 1 115 . 1 1 25 25 ALA CB C 13 20.099 0 . . . . . . A 25 ALA CB . 36097 1 116 . 1 1 25 25 ALA N N 15 121.945 0.004 . . . . . . A 25 ALA N . 36097 1 117 . 1 1 26 26 HIS H H 1 8.365 0.003 . . . . . . A 26 HIS H . 36097 1 118 . 1 1 26 26 HIS HA H 1 4.401 0 . . . . . . A 26 HIS HA . 36097 1 119 . 1 1 26 26 HIS HB2 H 1 3.237 0 . . . . . . A 26 HIS HB2 . 36097 1 120 . 1 1 26 26 HIS CA C 13 59.177 0 . . . . . . A 26 HIS CA . 36097 1 121 . 1 1 26 26 HIS CB C 13 28.909 0 . . . . . . A 26 HIS CB . 36097 1 122 . 1 1 26 26 HIS N N 15 110.719 0.015 . . . . . . A 26 HIS N . 36097 1 123 . 1 1 27 27 LYS H H 1 7.753 0.002 . . . . . . A 27 LYS H . 36097 1 124 . 1 1 27 27 LYS HA H 1 4.237 0 . . . . . . A 27 LYS HA . 36097 1 125 . 1 1 27 27 LYS HG2 H 1 1.456 0 . . . . . . A 27 LYS HG2 . 36097 1 126 . 1 1 27 27 LYS CA C 13 55.28 0 . . . . . . A 27 LYS CA . 36097 1 127 . 1 1 27 27 LYS CB C 13 33.147 0 . . . . . . A 27 LYS CB . 36097 1 128 . 1 1 27 27 LYS N N 15 116.609 0.009 . . . . . . A 27 LYS N . 36097 1 129 . 1 1 28 28 VAL H H 1 7.378 0.002 . . . . . . A 28 VAL H . 36097 1 130 . 1 1 28 28 VAL HA H 1 4.25 0 . . . . . . A 28 VAL HA . 36097 1 131 . 1 1 28 28 VAL HB H 1 1.949 0 . . . . . . A 28 VAL HB . 36097 1 132 . 1 1 28 28 VAL HG11 H 1 0.853 0 . . . . . . A 28 VAL HG11 . 36097 1 133 . 1 1 28 28 VAL HG12 H 1 0.853 0 . . . . . . A 28 VAL HG12 . 36097 1 134 . 1 1 28 28 VAL HG13 H 1 0.853 0 . . . . . . A 28 VAL HG13 . 36097 1 135 . 1 1 28 28 VAL HG21 H 1 0.21 0 . . . . . . A 28 VAL HG21 . 36097 1 136 . 1 1 28 28 VAL HG22 H 1 0.21 0 . . . . . . A 28 VAL HG22 . 36097 1 137 . 1 1 28 28 VAL HG23 H 1 0.21 0 . . . . . . A 28 VAL HG23 . 36097 1 138 . 1 1 28 28 VAL CA C 13 63.343 0 . . . . . . A 28 VAL CA . 36097 1 139 . 1 1 28 28 VAL CB C 13 32.182 0 . . . . . . A 28 VAL CB . 36097 1 140 . 1 1 28 28 VAL N N 15 123.534 0 . . . . . . A 28 VAL N . 36097 1 141 . 1 1 29 29 ARG H H 1 7.875 0.002 . . . . . . A 29 ARG H . 36097 1 142 . 1 1 29 29 ARG HA H 1 5.086 0 . . . . . . A 29 ARG HA . 36097 1 143 . 1 1 29 29 ARG HB2 H 1 1.853 0 . . . . . . A 29 ARG HB2 . 36097 1 144 . 1 1 29 29 ARG HG2 H 1 1.607 0 . . . . . . A 29 ARG HG2 . 36097 1 145 . 1 1 29 29 ARG HD2 H 1 3.141 0 . . . . . . A 29 ARG HD2 . 36097 1 146 . 1 1 29 29 ARG HD3 H 1 2.853 0 . . . . . . A 29 ARG HD3 . 36097 1 147 . 1 1 29 29 ARG CA C 13 54.582 0 . . . . . . A 29 ARG CA . 36097 1 148 . 1 1 29 29 ARG CB C 13 35.089 0 . . . . . . A 29 ARG CB . 36097 1 149 . 1 1 29 29 ARG N N 15 123.451 0.003 . . . . . . A 29 ARG N . 36097 1 150 . 1 1 30 30 ALA H H 1 8.839 0.017 . . . . . . A 30 ALA H . 36097 1 151 . 1 1 30 30 ALA HA H 1 5.675 0 . . . . . . A 30 ALA HA . 36097 1 152 . 1 1 30 30 ALA HB1 H 1 1.264 0 . . . . . . A 30 ALA HB1 . 36097 1 153 . 1 1 30 30 ALA HB2 H 1 1.264 0 . . . . . . A 30 ALA HB2 . 36097 1 154 . 1 1 30 30 ALA HB3 H 1 1.264 0 . . . . . . A 30 ALA HB3 . 36097 1 155 . 1 1 30 30 ALA CA C 13 51.063 0 . . . . . . A 30 ALA CA . 36097 1 156 . 1 1 30 30 ALA CB C 13 24.298 0 . . . . . . A 30 ALA CB . 36097 1 157 . 1 1 30 30 ALA N N 15 124.457 0 . . . . . . A 30 ALA N . 36097 1 158 . 1 1 31 31 GLY H H 1 8.625 0.004 . . . . . . A 31 GLY H . 36097 1 159 . 1 1 31 31 GLY HA2 H 1 4.182 0 . . . . . . A 31 GLY HA2 . 36097 1 160 . 1 1 31 31 GLY CA C 13 46.77 0 . . . . . . A 31 GLY CA . 36097 1 161 . 1 1 31 31 GLY N N 15 106.269 0.005 . . . . . . A 31 GLY N . 36097 1 162 . 1 1 32 32 GLY H H 1 7.572 0.009 . . . . . . A 32 GLY H . 36097 1 163 . 1 1 32 32 GLY HA2 H 1 4.305 0 . . . . . . A 32 GLY HA2 . 36097 1 164 . 1 1 32 32 GLY HA3 H 1 3.401 0 . . . . . . A 32 GLY HA3 . 36097 1 165 . 1 1 32 32 GLY CA C 13 45.529 0 . . . . . . A 32 GLY CA . 36097 1 166 . 1 1 32 32 GLY N N 15 105.439 0 . . . . . . A 32 GLY N . 36097 1 167 . 1 1 34 34 GLY H H 1 8.711 0.005 . . . . . . A 34 GLY H . 36097 1 168 . 1 1 34 34 GLY HA2 H 1 4.276 0 . . . . . . A 34 GLY HA2 . 36097 1 169 . 1 1 34 34 GLY HA3 H 1 3.769 0 . . . . . . A 34 GLY HA3 . 36097 1 170 . 1 1 34 34 GLY CA C 13 45.02 0 . . . . . . A 34 GLY CA . 36097 1 171 . 1 1 34 34 GLY N N 15 106.56 0.021 . . . . . . A 34 GLY N . 36097 1 172 . 1 1 35 35 LEU H H 1 8.256 0.008 . . . . . . A 35 LEU H . 36097 1 173 . 1 1 35 35 LEU HA H 1 5.346 0 . . . . . . A 35 LEU HA . 36097 1 174 . 1 1 35 35 LEU HB2 H 1 2.36 0 . . . . . . A 35 LEU HB2 . 36097 1 175 . 1 1 35 35 LEU CA C 13 54.728 0 . . . . . . A 35 LEU CA . 36097 1 176 . 1 1 35 35 LEU CB C 13 42.156 0 . . . . . . A 35 LEU CB . 36097 1 177 . 1 1 35 35 LEU N N 15 120.249 0.004 . . . . . . A 35 LEU N . 36097 1 178 . 1 1 38 38 ALA H H 1 7.964 0.024 . . . . . . A 38 ALA H . 36097 1 179 . 1 1 38 38 ALA HA H 1 4.249 0 . . . . . . A 38 ALA HA . 36097 1 180 . 1 1 38 38 ALA HB1 H 1 1.382 0 . . . . . . A 38 ALA HB1 . 36097 1 181 . 1 1 38 38 ALA HB2 H 1 1.382 0 . . . . . . A 38 ALA HB2 . 36097 1 182 . 1 1 38 38 ALA HB3 H 1 1.382 0 . . . . . . A 38 ALA HB3 . 36097 1 183 . 1 1 38 38 ALA CA C 13 51.565 0 . . . . . . A 38 ALA CA . 36097 1 184 . 1 1 38 38 ALA CB C 13 23.619 0 . . . . . . A 38 ALA CB . 36097 1 185 . 1 1 38 38 ALA N N 15 121.682 0.012 . . . . . . A 38 ALA N . 36097 1 186 . 1 1 39 39 GLU H H 1 9.232 0.002 . . . . . . A 39 GLU H . 36097 1 187 . 1 1 39 39 GLU HA H 1 4.552 0 . . . . . . A 39 GLU HA . 36097 1 188 . 1 1 39 39 GLU HB2 H 1 1.675 0 . . . . . . A 39 GLU HB2 . 36097 1 189 . 1 1 39 39 GLU HG2 H 1 2.072 0 . . . . . . A 39 GLU HG2 . 36097 1 190 . 1 1 39 39 GLU CA C 13 54.623 0 . . . . . . A 39 GLU CA . 36097 1 191 . 1 1 39 39 GLU CB C 13 33.629 0 . . . . . . A 39 GLU CB . 36097 1 192 . 1 1 39 39 GLU N N 15 120.763 0 . . . . . . A 39 GLU N . 36097 1 193 . 1 1 40 40 ALA H H 1 8.378 0.003 . . . . . . A 40 ALA H . 36097 1 194 . 1 1 40 40 ALA HA H 1 3.62 0 . . . . . . A 40 ALA HA . 36097 1 195 . 1 1 40 40 ALA HB1 H 1 1.004 0 . . . . . . A 40 ALA HB1 . 36097 1 196 . 1 1 40 40 ALA HB2 H 1 1.004 0 . . . . . . A 40 ALA HB2 . 36097 1 197 . 1 1 40 40 ALA HB3 H 1 1.004 0 . . . . . . A 40 ALA HB3 . 36097 1 198 . 1 1 40 40 ALA CA C 13 53.912 0 . . . . . . A 40 ALA CA . 36097 1 199 . 1 1 40 40 ALA CB C 13 18.153 0 . . . . . . A 40 ALA CB . 36097 1 200 . 1 1 40 40 ALA N N 15 127.486 0.031 . . . . . . A 40 ALA N . 36097 1 201 . 1 1 41 41 GLY H H 1 8.669 0.015 . . . . . . A 41 GLY H . 36097 1 202 . 1 1 41 41 GLY HA2 H 1 4.086 0 . . . . . . A 41 GLY HA2 . 36097 1 203 . 1 1 41 41 GLY HA3 H 1 3.36 0 . . . . . . A 41 GLY HA3 . 36097 1 204 . 1 1 41 41 GLY CA C 13 46.075 0 . . . . . . A 41 GLY CA . 36097 1 205 . 1 1 41 41 GLY N N 15 108.41 0.013 . . . . . . A 41 GLY N . 36097 1 206 . 1 1 42 42 VAL H H 1 7.636 0.005 . . . . . . A 42 VAL H . 36097 1 207 . 1 1 42 42 VAL HA H 1 4.387 0 . . . . . . A 42 VAL HA . 36097 1 208 . 1 1 42 42 VAL HB H 1 1.935 0 . . . . . . A 42 VAL HB . 36097 1 209 . 1 1 42 42 VAL HG11 H 1 0.675 0 . . . . . . A 42 VAL HG11 . 36097 1 210 . 1 1 42 42 VAL HG12 H 1 0.675 0 . . . . . . A 42 VAL HG12 . 36097 1 211 . 1 1 42 42 VAL HG13 H 1 0.675 0 . . . . . . A 42 VAL HG13 . 36097 1 212 . 1 1 42 42 VAL CA C 13 59.646 0 . . . . . . A 42 VAL CA . 36097 1 213 . 1 1 42 42 VAL CB C 13 34.765 0 . . . . . . A 42 VAL CB . 36097 1 214 . 1 1 42 42 VAL N N 15 122.839 0 . . . . . . A 42 VAL N . 36097 1 215 . 1 1 44 44 ALA H H 1 8.971 0.003 . . . . . . A 44 ALA H . 36097 1 216 . 1 1 44 44 ALA HA H 1 4.524 0 . . . . . . A 44 ALA HA . 36097 1 217 . 1 1 44 44 ALA HB1 H 1 0.648 0 . . . . . . A 44 ALA HB1 . 36097 1 218 . 1 1 44 44 ALA HB2 H 1 0.648 0 . . . . . . A 44 ALA HB2 . 36097 1 219 . 1 1 44 44 ALA HB3 H 1 0.648 0 . . . . . . A 44 ALA HB3 . 36097 1 220 . 1 1 44 44 ALA CA C 13 50.799 0 . . . . . . A 44 ALA CA . 36097 1 221 . 1 1 44 44 ALA CB C 13 20.56 0 . . . . . . A 44 ALA CB . 36097 1 222 . 1 1 44 44 ALA N N 15 131.517 0.004 . . . . . . A 44 ALA N . 36097 1 223 . 1 1 45 45 GLU H H 1 8.342 0.002 . . . . . . A 45 GLU H . 36097 1 224 . 1 1 45 45 GLU HA H 1 4.524 0 . . . . . . A 45 GLU HA . 36097 1 225 . 1 1 45 45 GLU HG2 H 1 1.977 0 . . . . . . A 45 GLU HG2 . 36097 1 226 . 1 1 45 45 GLU CA C 13 55.545 0 . . . . . . A 45 GLU CA . 36097 1 227 . 1 1 45 45 GLU CB C 13 34.14 0 . . . . . . A 45 GLU CB . 36097 1 228 . 1 1 45 45 GLU N N 15 118.846 0.077 . . . . . . A 45 GLU N . 36097 1 229 . 1 1 47 47 SER H H 1 9.25 0.006 . . . . . . A 47 SER H . 36097 1 230 . 1 1 47 47 SER HA H 1 4.675 0 . . . . . . A 47 SER HA . 36097 1 231 . 1 1 47 47 SER HB2 H 1 3.552 0 . . . . . . A 47 SER HB2 . 36097 1 232 . 1 1 47 47 SER CA C 13 57.383 0 . . . . . . A 47 SER CA . 36097 1 233 . 1 1 47 47 SER CB C 13 66.19 0 . . . . . . A 47 SER CB . 36097 1 234 . 1 1 47 47 SER N N 15 123.045 0.085 . . . . . . A 47 SER N . 36097 1 235 . 1 1 49 49 TRP H H 1 9.576 0.002 . . . . . . A 49 TRP H . 36097 1 236 . 1 1 49 49 TRP HA H 1 4.743 0 . . . . . . A 49 TRP HA . 36097 1 237 . 1 1 49 49 TRP HB2 H 1 3.196 0 . . . . . . A 49 TRP HB2 . 36097 1 238 . 1 1 49 49 TRP HD1 H 1 7.318 0 . . . . . . A 49 TRP HD1 . 36097 1 239 . 1 1 49 49 TRP HE1 H 1 8.538 0 . . . . . . A 49 TRP HE1 . 36097 1 240 . 1 1 49 49 TRP CA C 13 59.4 0 . . . . . . A 49 TRP CA . 36097 1 241 . 1 1 49 49 TRP CB C 13 30.708 0 . . . . . . A 49 TRP CB . 36097 1 242 . 1 1 49 49 TRP N N 15 128.551 0.072 . . . . . . A 49 TRP N . 36097 1 243 . 1 1 50 50 THR H H 1 8.427 0.006 . . . . . . A 50 THR H . 36097 1 244 . 1 1 50 50 THR HA H 1 4.88 0 . . . . . . A 50 THR HA . 36097 1 245 . 1 1 50 50 THR HG21 H 1 0.867 0 . . . . . . A 50 THR HG21 . 36097 1 246 . 1 1 50 50 THR HG22 H 1 0.867 0 . . . . . . A 50 THR HG22 . 36097 1 247 . 1 1 50 50 THR HG23 H 1 0.867 0 . . . . . . A 50 THR HG23 . 36097 1 248 . 1 1 50 50 THR CA C 13 62.48 0 . . . . . . A 50 THR CA . 36097 1 249 . 1 1 50 50 THR CB C 13 69.977 0 . . . . . . A 50 THR CB . 36097 1 250 . 1 1 50 50 THR N N 15 114.14 0.122 . . . . . . A 50 THR N . 36097 1 251 . 1 1 53 53 ALA H H 1 7.63 0.002 . . . . . . A 53 ALA H . 36097 1 252 . 1 1 53 53 ALA HA H 1 3.922 0 . . . . . . A 53 ALA HA . 36097 1 253 . 1 1 53 53 ALA HB1 H 1 0.648 0 . . . . . . A 53 ALA HB1 . 36097 1 254 . 1 1 53 53 ALA HB2 H 1 0.648 0 . . . . . . A 53 ALA HB2 . 36097 1 255 . 1 1 53 53 ALA HB3 H 1 0.648 0 . . . . . . A 53 ALA HB3 . 36097 1 256 . 1 1 53 53 ALA CA C 13 53.706 0 . . . . . . A 53 ALA CA . 36097 1 257 . 1 1 53 53 ALA CB C 13 21.801 0 . . . . . . A 53 ALA CB . 36097 1 258 . 1 1 53 53 ALA N N 15 120.979 0 . . . . . . A 53 ALA N . 36097 1 259 . 1 1 54 54 GLY H H 1 7.488 0.004 . . . . . . A 54 GLY H . 36097 1 260 . 1 1 54 54 GLY HA2 H 1 4.168 0 . . . . . . A 54 GLY HA2 . 36097 1 261 . 1 1 54 54 GLY HA3 H 1 3.743 0 . . . . . . A 54 GLY HA3 . 36097 1 262 . 1 1 54 54 GLY CA C 13 44.987 0 . . . . . . A 54 GLY CA . 36097 1 263 . 1 1 54 54 GLY N N 15 105.299 0.038 . . . . . . A 54 GLY N . 36097 1 264 . 1 1 55 55 ALA H H 1 8.179 0.007 . . . . . . A 55 ALA H . 36097 1 265 . 1 1 55 55 ALA HA H 1 4.374 0 . . . . . . A 55 ALA HA . 36097 1 266 . 1 1 55 55 ALA HB1 H 1 1.292 0 . . . . . . A 55 ALA HB1 . 36097 1 267 . 1 1 55 55 ALA HB2 H 1 1.292 0 . . . . . . A 55 ALA HB2 . 36097 1 268 . 1 1 55 55 ALA HB3 H 1 1.292 0 . . . . . . A 55 ALA HB3 . 36097 1 269 . 1 1 55 55 ALA CA C 13 52.462 0 . . . . . . A 55 ALA CA . 36097 1 270 . 1 1 55 55 ALA CB C 13 20.5 0 . . . . . . A 55 ALA CB . 36097 1 271 . 1 1 55 55 ALA N N 15 122.162 0.011 . . . . . . A 55 ALA N . 36097 1 272 . 1 1 56 56 GLY H H 1 8.183 0.001 . . . . . . A 56 GLY H . 36097 1 273 . 1 1 56 56 GLY HA2 H 1 3.826 0 . . . . . . A 56 GLY HA2 . 36097 1 274 . 1 1 56 56 GLY HA3 H 1 3.565 0 . . . . . . A 56 GLY HA3 . 36097 1 275 . 1 1 56 56 GLY CA C 13 46.697 0 . . . . . . A 56 GLY CA . 36097 1 276 . 1 1 56 56 GLY N N 15 108.34 0.008 . . . . . . A 56 GLY N . 36097 1 277 . 1 1 57 57 GLY H H 1 8.699 0.005 . . . . . . A 57 GLY H . 36097 1 278 . 1 1 57 57 GLY HA2 H 1 4.88 0 . . . . . . A 57 GLY HA2 . 36097 1 279 . 1 1 57 57 GLY HA3 H 1 4.127 0 . . . . . . A 57 GLY HA3 . 36097 1 280 . 1 1 57 57 GLY CA C 13 45.522 0 . . . . . . A 57 GLY CA . 36097 1 281 . 1 1 57 57 GLY N N 15 111.878 0.001 . . . . . . A 57 GLY N . 36097 1 282 . 1 1 58 58 LEU H H 1 8.025 0.007 . . . . . . A 58 LEU H . 36097 1 283 . 1 1 58 58 LEU HA H 1 3.853 0 . . . . . . A 58 LEU HA . 36097 1 284 . 1 1 58 58 LEU HB2 H 1 1.73 0 . . . . . . A 58 LEU HB2 . 36097 1 285 . 1 1 58 58 LEU HG H 1 1.497 0 . . . . . . A 58 LEU HG . 36097 1 286 . 1 1 58 58 LEU HD11 H 1 0.771 0 . . . . . . A 58 LEU HD11 . 36097 1 287 . 1 1 58 58 LEU HD12 H 1 0.771 0 . . . . . . A 58 LEU HD12 . 36097 1 288 . 1 1 58 58 LEU HD13 H 1 0.771 0 . . . . . . A 58 LEU HD13 . 36097 1 289 . 1 1 58 58 LEU CA C 13 55.75 0 . . . . . . A 58 LEU CA . 36097 1 290 . 1 1 58 58 LEU CB C 13 43.06 0 . . . . . . A 58 LEU CB . 36097 1 291 . 1 1 58 58 LEU N N 15 121.548 0 . . . . . . A 58 LEU N . 36097 1 292 . 1 1 59 59 ALA H H 1 9.06 0.005 . . . . . . A 59 ALA H . 36097 1 293 . 1 1 59 59 ALA HA H 1 5.127 0 . . . . . . A 59 ALA HA . 36097 1 294 . 1 1 59 59 ALA HB1 H 1 1.168 0 . . . . . . A 59 ALA HB1 . 36097 1 295 . 1 1 59 59 ALA HB2 H 1 1.168 0 . . . . . . A 59 ALA HB2 . 36097 1 296 . 1 1 59 59 ALA HB3 H 1 1.168 0 . . . . . . A 59 ALA HB3 . 36097 1 297 . 1 1 59 59 ALA CA C 13 51.515 0 . . . . . . A 59 ALA CA . 36097 1 298 . 1 1 59 59 ALA CB C 13 23.129 0 . . . . . . A 59 ALA CB . 36097 1 299 . 1 1 59 59 ALA N N 15 128.039 0.118 . . . . . . A 59 ALA N . 36097 1 300 . 1 1 60 60 ILE H H 1 8.634 0.005 . . . . . . A 60 ILE H . 36097 1 301 . 1 1 60 60 ILE HA H 1 5.113 0 . . . . . . A 60 ILE HA . 36097 1 302 . 1 1 60 60 ILE HG12 H 1 0.84 0 . . . . . . A 60 ILE HG12 . 36097 1 303 . 1 1 60 60 ILE CA C 13 59.738 0 . . . . . . A 60 ILE CA . 36097 1 304 . 1 1 60 60 ILE CB C 13 41.207 0 . . . . . . A 60 ILE CB . 36097 1 305 . 1 1 60 60 ILE N N 15 124.014 0 . . . . . . A 60 ILE N . 36097 1 306 . 1 1 61 61 ALA H H 1 8.824 0.012 . . . . . . A 61 ALA H . 36097 1 307 . 1 1 61 61 ALA HA H 1 5.483 0 . . . . . . A 61 ALA HA . 36097 1 308 . 1 1 61 61 ALA HB1 H 1 1.292 0 . . . . . . A 61 ALA HB1 . 36097 1 309 . 1 1 61 61 ALA HB2 H 1 1.292 0 . . . . . . A 61 ALA HB2 . 36097 1 310 . 1 1 61 61 ALA HB3 H 1 1.292 0 . . . . . . A 61 ALA HB3 . 36097 1 311 . 1 1 61 61 ALA CA C 13 50.885 0 . . . . . . A 61 ALA CA . 36097 1 312 . 1 1 61 61 ALA CB C 13 23.48 0 . . . . . . A 61 ALA CB . 36097 1 313 . 1 1 61 61 ALA N N 15 127.294 0 . . . . . . A 61 ALA N . 36097 1 314 . 1 1 62 62 VAL H H 1 8.891 0.003 . . . . . . A 62 VAL H . 36097 1 315 . 1 1 62 62 VAL HA H 1 5.456 0 . . . . . . A 62 VAL HA . 36097 1 316 . 1 1 62 62 VAL HB H 1 1.292 0 . . . . . . A 62 VAL HB . 36097 1 317 . 1 1 62 62 VAL HG11 H 1 0.634 0 . . . . . . A 62 VAL HG11 . 36097 1 318 . 1 1 62 62 VAL HG12 H 1 0.634 0 . . . . . . A 62 VAL HG12 . 36097 1 319 . 1 1 62 62 VAL HG13 H 1 0.634 0 . . . . . . A 62 VAL HG13 . 36097 1 320 . 1 1 62 62 VAL HG21 H 1 0.429 0 . . . . . . A 62 VAL HG21 . 36097 1 321 . 1 1 62 62 VAL HG22 H 1 0.429 0 . . . . . . A 62 VAL HG22 . 36097 1 322 . 1 1 62 62 VAL HG23 H 1 0.429 0 . . . . . . A 62 VAL HG23 . 36097 1 323 . 1 1 62 62 VAL CA C 13 61.882 0 . . . . . . A 62 VAL CA . 36097 1 324 . 1 1 62 62 VAL CB C 13 35.016 0 . . . . . . A 62 VAL CB . 36097 1 325 . 1 1 62 62 VAL N N 15 119.823 0 . . . . . . A 62 VAL N . 36097 1 326 . 1 1 63 63 GLU H H 1 9.264 0.003 . . . . . . A 63 GLU H . 36097 1 327 . 1 1 63 63 GLU HA H 1 4.866 0 . . . . . . A 63 GLU HA . 36097 1 328 . 1 1 63 63 GLU HB2 H 1 1.903 0 . . . . . . A 63 GLU HB2 . 36097 1 329 . 1 1 63 63 GLU HG2 H 1 2.109 0 . . . . . . A 63 GLU HG2 . 36097 1 330 . 1 1 63 63 GLU CA C 13 54.507 0 . . . . . . A 63 GLU CA . 36097 1 331 . 1 1 63 63 GLU CB C 13 34.724 0 . . . . . . A 63 GLU CB . 36097 1 332 . 1 1 63 63 GLU N N 15 129.068 0.007 . . . . . . A 63 GLU N . 36097 1 333 . 1 1 64 64 GLY H H 1 8.739 0.009 . . . . . . A 64 GLY H . 36097 1 334 . 1 1 64 64 GLY HA2 H 1 3.839 0 . . . . . . A 64 GLY HA2 . 36097 1 335 . 1 1 64 64 GLY CA C 13 46.891 0 . . . . . . A 64 GLY CA . 36097 1 336 . 1 1 64 64 GLY N N 15 110.939 0 . . . . . . A 64 GLY N . 36097 1 337 . 1 1 66 66 SER H H 1 7.387 0.012 . . . . . . A 66 SER H . 36097 1 338 . 1 1 66 66 SER HA H 1 4.237 0 . . . . . . A 66 SER HA . 36097 1 339 . 1 1 66 66 SER CA C 13 58.551 0 . . . . . . A 66 SER CA . 36097 1 340 . 1 1 66 66 SER CB C 13 66.322 0 . . . . . . A 66 SER CB . 36097 1 341 . 1 1 66 66 SER N N 15 110.061 0 . . . . . . A 66 SER N . 36097 1 342 . 1 1 67 67 LYS H H 1 8.22 0.001 . . . . . . A 67 LYS H . 36097 1 343 . 1 1 67 67 LYS HA H 1 3.976 0 . . . . . . A 67 LYS HA . 36097 1 344 . 1 1 67 67 LYS HB2 H 1 1.634 0 . . . . . . A 67 LYS HB2 . 36097 1 345 . 1 1 67 67 LYS HG2 H 1 1.209 0 . . . . . . A 67 LYS HG2 . 36097 1 346 . 1 1 67 67 LYS CA C 13 57.006 0 . . . . . . A 67 LYS CA . 36097 1 347 . 1 1 67 67 LYS CB C 13 33.504 0 . . . . . . A 67 LYS CB . 36097 1 348 . 1 1 67 67 LYS N N 15 120.612 0.002 . . . . . . A 67 LYS N . 36097 1 349 . 1 1 68 68 ALA H H 1 8.726 0.022 . . . . . . A 68 ALA H . 36097 1 350 . 1 1 68 68 ALA HA H 1 4.393 0.487 . . . . . . A 68 ALA HA . 36097 1 351 . 1 1 68 68 ALA HB1 H 1 1.104 0.018 . . . . . . A 68 ALA HB1 . 36097 1 352 . 1 1 68 68 ALA HB2 H 1 1.104 0.018 . . . . . . A 68 ALA HB2 . 36097 1 353 . 1 1 68 68 ALA HB3 H 1 1.104 0.018 . . . . . . A 68 ALA HB3 . 36097 1 354 . 1 1 68 68 ALA CA C 13 51.492 0 . . . . . . A 68 ALA CA . 36097 1 355 . 1 1 68 68 ALA CB C 13 21.265 0 . . . . . . A 68 ALA CB . 36097 1 356 . 1 1 68 68 ALA N N 15 128.25 0.124 . . . . . . A 68 ALA N . 36097 1 357 . 1 1 69 69 GLU H H 1 8.298 0.003 . . . . . . A 69 GLU H . 36097 1 358 . 1 1 69 69 GLU HA H 1 4.867 0 . . . . . . A 69 GLU HA . 36097 1 359 . 1 1 69 69 GLU HB2 H 1 1.785 0 . . . . . . A 69 GLU HB2 . 36097 1 360 . 1 1 69 69 GLU HG2 H 1 2.155 0 . . . . . . A 69 GLU HG2 . 36097 1 361 . 1 1 69 69 GLU CA C 13 56.101 0 . . . . . . A 69 GLU CA . 36097 1 362 . 1 1 69 69 GLU CB C 13 31.292 0 . . . . . . A 69 GLU CB . 36097 1 363 . 1 1 69 69 GLU N N 15 122.413 0 . . . . . . A 69 GLU N . 36097 1 364 . 1 1 71 71 SER H H 1 8.833 0.006 . . . . . . A 71 SER H . 36097 1 365 . 1 1 71 71 SER HA H 1 5.415 0 . . . . . . A 71 SER HA . 36097 1 366 . 1 1 71 71 SER HB2 H 1 3.316 0 . . . . . . A 71 SER HB2 . 36097 1 367 . 1 1 71 71 SER HB3 H 1 2.767 0 . . . . . . A 71 SER HB3 . 36097 1 368 . 1 1 71 71 SER CA C 13 57.817 0 . . . . . . A 71 SER CA . 36097 1 369 . 1 1 71 71 SER CB C 13 66.715 0 . . . . . . A 71 SER CB . 36097 1 370 . 1 1 71 71 SER N N 15 115.526 0 . . . . . . A 71 SER N . 36097 1 371 . 1 1 72 72 PHE H H 1 8.388 0.007 . . . . . . A 72 PHE H . 36097 1 372 . 1 1 72 72 PHE HA H 1 4.941 0.295 . . . . . . A 72 PHE HA . 36097 1 373 . 1 1 72 72 PHE HB2 H 1 2.961 0.094 . . . . . . A 72 PHE HB2 . 36097 1 374 . 1 1 72 72 PHE HB3 H 1 2.708 0.019 . . . . . . A 72 PHE HB3 . 36097 1 375 . 1 1 72 72 PHE HD1 H 1 7.006 0 . . . . . . A 72 PHE HD1 . 36097 1 376 . 1 1 72 72 PHE CA C 13 57.302 0 . . . . . . A 72 PHE CA . 36097 1 377 . 1 1 72 72 PHE CB C 13 43.181 0 . . . . . . A 72 PHE CB . 36097 1 378 . 1 1 72 72 PHE N N 15 120.713 0.325 . . . . . . A 72 PHE N . 36097 1 379 . 1 1 73 73 GLU H H 1 8.642 0.015 . . . . . . A 73 GLU H . 36097 1 380 . 1 1 73 73 GLU HA H 1 4.414 0 . . . . . . A 73 GLU HA . 36097 1 381 . 1 1 73 73 GLU HB2 H 1 1.629 0 . . . . . . A 73 GLU HB2 . 36097 1 382 . 1 1 73 73 GLU HG2 H 1 1.848 0 . . . . . . A 73 GLU HG2 . 36097 1 383 . 1 1 73 73 GLU CA C 13 55.316 0 . . . . . . A 73 GLU CA . 36097 1 384 . 1 1 73 73 GLU CB C 13 33.621 0 . . . . . . A 73 GLU CB . 36097 1 385 . 1 1 73 73 GLU N N 15 123.933 0.006 . . . . . . A 73 GLU N . 36097 1 386 . 1 1 77 77 ASP H H 1 8.739 0.007 . . . . . . A 77 ASP H . 36097 1 387 . 1 1 77 77 ASP HA H 1 4.743 0 . . . . . . A 77 ASP HA . 36097 1 388 . 1 1 77 77 ASP HB2 H 1 2.712 0 . . . . . . A 77 ASP HB2 . 36097 1 389 . 1 1 77 77 ASP CA C 13 53.845 0 . . . . . . A 77 ASP CA . 36097 1 390 . 1 1 77 77 ASP CB C 13 39.504 0 . . . . . . A 77 ASP CB . 36097 1 391 . 1 1 77 77 ASP N N 15 120.439 0.013 . . . . . . A 77 ASP N . 36097 1 392 . 1 1 78 78 GLY H H 1 8.444 0.011 . . . . . . A 78 GLY H . 36097 1 393 . 1 1 78 78 GLY HA2 H 1 4.249 0 . . . . . . A 78 GLY HA2 . 36097 1 394 . 1 1 78 78 GLY HA3 H 1 3.837 0 . . . . . . A 78 GLY HA3 . 36097 1 395 . 1 1 78 78 GLY CA C 13 46.05 0 . . . . . . A 78 GLY CA . 36097 1 396 . 1 1 78 78 GLY N N 15 108.492 0.01 . . . . . . A 78 GLY N . 36097 1 397 . 1 1 79 79 SER H H 1 8.06 0.002 . . . . . . A 79 SER H . 36097 1 398 . 1 1 79 79 SER HA H 1 4.316 0 . . . . . . A 79 SER HA . 36097 1 399 . 1 1 79 79 SER HB2 H 1 3.781 0 . . . . . . A 79 SER HB2 . 36097 1 400 . 1 1 79 79 SER CA C 13 58.972 0 . . . . . . A 79 SER CA . 36097 1 401 . 1 1 79 79 SER CB C 13 64.492 0 . . . . . . A 79 SER CB . 36097 1 402 . 1 1 79 79 SER N N 15 115.361 0.002 . . . . . . A 79 SER N . 36097 1 403 . 1 1 82 82 VAL H H 1 8.34 0.007 . . . . . . A 82 VAL H . 36097 1 404 . 1 1 82 82 VAL HA H 1 4.456 0 . . . . . . A 82 VAL HA . 36097 1 405 . 1 1 82 82 VAL HG11 H 1 0.36 0 . . . . . . A 82 VAL HG11 . 36097 1 406 . 1 1 82 82 VAL HG12 H 1 0.36 0 . . . . . . A 82 VAL HG12 . 36097 1 407 . 1 1 82 82 VAL HG13 H 1 0.36 0 . . . . . . A 82 VAL HG13 . 36097 1 408 . 1 1 82 82 VAL HG21 H 1 -0.078 0 . . . . . . A 82 VAL HG21 . 36097 1 409 . 1 1 82 82 VAL HG22 H 1 -0.078 0 . . . . . . A 82 VAL HG22 . 36097 1 410 . 1 1 82 82 VAL HG23 H 1 -0.078 0 . . . . . . A 82 VAL HG23 . 36097 1 411 . 1 1 82 82 VAL CA C 13 60.86 0 . . . . . . A 82 VAL CA . 36097 1 412 . 1 1 82 82 VAL CB C 13 34.446 0 . . . . . . A 82 VAL CB . 36097 1 413 . 1 1 82 82 VAL N N 15 124.118 0 . . . . . . A 82 VAL N . 36097 1 414 . 1 1 83 83 ALA H H 1 8.474 0.001 . . . . . . A 83 ALA H . 36097 1 415 . 1 1 83 83 ALA HA H 1 5.292 0 . . . . . . A 83 ALA HA . 36097 1 416 . 1 1 83 83 ALA HB1 H 1 0.943 0 . . . . . . A 83 ALA HB1 . 36097 1 417 . 1 1 83 83 ALA HB2 H 1 0.943 0 . . . . . . A 83 ALA HB2 . 36097 1 418 . 1 1 83 83 ALA HB3 H 1 0.943 0 . . . . . . A 83 ALA HB3 . 36097 1 419 . 1 1 83 83 ALA CA C 13 50.683 0 . . . . . . A 83 ALA CA . 36097 1 420 . 1 1 83 83 ALA CB C 13 22.736 0 . . . . . . A 83 ALA CB . 36097 1 421 . 1 1 83 83 ALA N N 15 127.11 0.002 . . . . . . A 83 ALA N . 36097 1 422 . 1 1 84 84 TYR H H 1 8.699 0.007 . . . . . . A 84 TYR H . 36097 1 423 . 1 1 84 84 TYR HA H 1 4.894 0 . . . . . . A 84 TYR HA . 36097 1 424 . 1 1 84 84 TYR HB2 H 1 2.565 0 . . . . . . A 84 TYR HB2 . 36097 1 425 . 1 1 84 84 TYR CA C 13 55.518 0 . . . . . . A 84 TYR CA . 36097 1 426 . 1 1 84 84 TYR CB C 13 43.559 0 . . . . . . A 84 TYR CB . 36097 1 427 . 1 1 84 84 TYR N N 15 117.895 0.003 . . . . . . A 84 TYR N . 36097 1 428 . 1 1 85 85 VAL H H 1 8.258 0.003 . . . . . . A 85 VAL H . 36097 1 429 . 1 1 85 85 VAL HA H 1 4.278 0 . . . . . . A 85 VAL HA . 36097 1 430 . 1 1 85 85 VAL HB H 1 1.675 0 . . . . . . A 85 VAL HB . 36097 1 431 . 1 1 85 85 VAL HG11 H 1 0.538 0 . . . . . . A 85 VAL HG11 . 36097 1 432 . 1 1 85 85 VAL HG12 H 1 0.538 0 . . . . . . A 85 VAL HG12 . 36097 1 433 . 1 1 85 85 VAL HG13 H 1 0.538 0 . . . . . . A 85 VAL HG13 . 36097 1 434 . 1 1 85 85 VAL CA C 13 61.079 0 . . . . . . A 85 VAL CA . 36097 1 435 . 1 1 85 85 VAL CB C 13 35.732 0 . . . . . . A 85 VAL CB . 36097 1 436 . 1 1 85 85 VAL N N 15 117.997 0.007 . . . . . . A 85 VAL N . 36097 1 437 . 1 1 86 86 VAL H H 1 8.682 0.003 . . . . . . A 86 VAL H . 36097 1 438 . 1 1 86 86 VAL HA H 1 4.223 0 . . . . . . A 86 VAL HA . 36097 1 439 . 1 1 86 86 VAL CA C 13 58.976 0 . . . . . . A 86 VAL CA . 36097 1 440 . 1 1 86 86 VAL CB C 13 33.875 0 . . . . . . A 86 VAL CB . 36097 1 441 . 1 1 86 86 VAL N N 15 121.174 0 . . . . . . A 86 VAL N . 36097 1 442 . 1 1 87 87 GLN H H 1 7.822 0.006 . . . . . . A 87 GLN H . 36097 1 443 . 1 1 87 87 GLN HA H 1 4.647 0 . . . . . . A 87 GLN HA . 36097 1 444 . 1 1 87 87 GLN HB2 H 1 1.771 0 . . . . . . A 87 GLN HB2 . 36097 1 445 . 1 1 87 87 GLN HG2 H 1 2.237 0 . . . . . . A 87 GLN HG2 . 36097 1 446 . 1 1 87 87 GLN HE21 H 1 6.894 0 . . . . . . A 87 GLN HE21 . 36097 1 447 . 1 1 87 87 GLN CA C 13 57.151 0 . . . . . . A 87 GLN CA . 36097 1 448 . 1 1 87 87 GLN CB C 13 31.073 0 . . . . . . A 87 GLN CB . 36097 1 449 . 1 1 87 87 GLN N N 15 117.576 0 . . . . . . A 87 GLN N . 36097 1 450 . 1 1 90 90 GLY H H 1 9.086 0.006 . . . . . . A 90 GLY H . 36097 1 451 . 1 1 90 90 GLY HA2 H 1 4.25 0 . . . . . . A 90 GLY HA2 . 36097 1 452 . 1 1 90 90 GLY HA3 H 1 3.25 0 . . . . . . A 90 GLY HA3 . 36097 1 453 . 1 1 90 90 GLY CA C 13 47.031 0 . . . . . . A 90 GLY CA . 36097 1 454 . 1 1 90 90 GLY N N 15 102.692 0 . . . . . . A 90 GLY N . 36097 1 455 . 1 1 92 92 TYR H H 1 8.765 0.016 . . . . . . A 92 TYR H . 36097 1 456 . 1 1 92 92 TYR HA H 1 5.031 0 . . . . . . A 92 TYR HA . 36097 1 457 . 1 1 92 92 TYR HB2 H 1 2.812 0 . . . . . . A 92 TYR HB2 . 36097 1 458 . 1 1 92 92 TYR HB3 H 1 2.456 0 . . . . . . A 92 TYR HB3 . 36097 1 459 . 1 1 92 92 TYR HD1 H 1 6.757 0 . . . . . . A 92 TYR HD1 . 36097 1 460 . 1 1 92 92 TYR CA C 13 56.709 0 . . . . . . A 92 TYR CA . 36097 1 461 . 1 1 92 92 TYR CB C 13 41.136 0 . . . . . . A 92 TYR CB . 36097 1 462 . 1 1 92 92 TYR N N 15 121.882 0 . . . . . . A 92 TYR N . 36097 1 463 . 1 1 93 93 GLU H H 1 9.138 0.009 . . . . . . A 93 GLU H . 36097 1 464 . 1 1 93 93 GLU HA H 1 5.031 0 . . . . . . A 93 GLU HA . 36097 1 465 . 1 1 93 93 GLU HB2 H 1 1.917 0 . . . . . . A 93 GLU HB2 . 36097 1 466 . 1 1 93 93 GLU HG2 H 1 2.136 0 . . . . . . A 93 GLU HG2 . 36097 1 467 . 1 1 93 93 GLU CA C 13 55.463 0 . . . . . . A 93 GLU CA . 36097 1 468 . 1 1 93 93 GLU CB C 13 33.106 0 . . . . . . A 93 GLU CB . 36097 1 469 . 1 1 93 93 GLU N N 15 120.232 0.022 . . . . . . A 93 GLU N . 36097 1 470 . 1 1 94 94 VAL H H 1 9.734 0.012 . . . . . . A 94 VAL H . 36097 1 471 . 1 1 94 94 VAL HA H 1 5.236 0 . . . . . . A 94 VAL HA . 36097 1 472 . 1 1 94 94 VAL HB H 1 1.894 0 . . . . . . A 94 VAL HB . 36097 1 473 . 1 1 94 94 VAL HG11 H 1 0.525 0 . . . . . . A 94 VAL HG11 . 36097 1 474 . 1 1 94 94 VAL HG12 H 1 0.525 0 . . . . . . A 94 VAL HG12 . 36097 1 475 . 1 1 94 94 VAL HG13 H 1 0.525 0 . . . . . . A 94 VAL HG13 . 36097 1 476 . 1 1 94 94 VAL CA C 13 61.766 0 . . . . . . A 94 VAL CA . 36097 1 477 . 1 1 94 94 VAL CB C 13 33.206 0 . . . . . . A 94 VAL CB . 36097 1 478 . 1 1 94 94 VAL N N 15 130.565 0.005 . . . . . . A 94 VAL N . 36097 1 479 . 1 1 95 95 SER H H 1 9.675 0.003 . . . . . . A 95 SER H . 36097 1 480 . 1 1 95 95 SER HA H 1 4.88 0 . . . . . . A 95 SER HA . 36097 1 481 . 1 1 95 95 SER HB2 H 1 3.728 0 . . . . . . A 95 SER HB2 . 36097 1 482 . 1 1 95 95 SER CA C 13 57.449 0 . . . . . . A 95 SER CA . 36097 1 483 . 1 1 95 95 SER CB C 13 66.127 0 . . . . . . A 95 SER CB . 36097 1 484 . 1 1 95 95 SER N N 15 122.611 0.019 . . . . . . A 95 SER N . 36097 1 485 . 1 1 96 96 VAL H H 1 9.327 0.004 . . . . . . A 96 VAL H . 36097 1 486 . 1 1 96 96 VAL HA H 1 5.154 0 . . . . . . A 96 VAL HA . 36097 1 487 . 1 1 96 96 VAL HB H 1 2.072 0 . . . . . . A 96 VAL HB . 36097 1 488 . 1 1 96 96 VAL HG11 H 1 0.908 0 . . . . . . A 96 VAL HG11 . 36097 1 489 . 1 1 96 96 VAL HG12 H 1 0.908 0 . . . . . . A 96 VAL HG12 . 36097 1 490 . 1 1 96 96 VAL HG13 H 1 0.908 0 . . . . . . A 96 VAL HG13 . 36097 1 491 . 1 1 96 96 VAL CA C 13 62.004 0 . . . . . . A 96 VAL CA . 36097 1 492 . 1 1 96 96 VAL CB C 13 34.456 0 . . . . . . A 96 VAL CB . 36097 1 493 . 1 1 96 96 VAL N N 15 124.56 0.002 . . . . . . A 96 VAL N . 36097 1 494 . 1 1 97 97 LYS H H 1 8.888 0.003 . . . . . . A 97 LYS H . 36097 1 495 . 1 1 97 97 LYS HA H 1 5.099 0 . . . . . . A 97 LYS HA . 36097 1 496 . 1 1 97 97 LYS HB2 H 1 1.401 0 . . . . . . A 97 LYS HB2 . 36097 1 497 . 1 1 97 97 LYS CA C 13 54.582 0 . . . . . . A 97 LYS CA . 36097 1 498 . 1 1 97 97 LYS CB C 13 37.571 0 . . . . . . A 97 LYS CB . 36097 1 499 . 1 1 97 97 LYS N N 15 123.59 0 . . . . . . A 97 LYS N . 36097 1 500 . 1 1 98 98 PHE H H 1 9.05 0.009 . . . . . . A 98 PHE H . 36097 1 501 . 1 1 98 98 PHE HA H 1 5.086 0 . . . . . . A 98 PHE HA . 36097 1 502 . 1 1 98 98 PHE HB2 H 1 2.809 0 . . . . . . A 98 PHE HB2 . 36097 1 503 . 1 1 98 98 PHE HB3 H 1 2.411 0 . . . . . . A 98 PHE HB3 . 36097 1 504 . 1 1 98 98 PHE HD1 H 1 7.459 0 . . . . . . A 98 PHE HD1 . 36097 1 505 . 1 1 98 98 PHE CA C 13 56.493 0 . . . . . . A 98 PHE CA . 36097 1 506 . 1 1 98 98 PHE CB C 13 43.843 0 . . . . . . A 98 PHE CB . 36097 1 507 . 1 1 98 98 PHE N N 15 123.231 0.008 . . . . . . A 98 PHE N . 36097 1 508 . 1 1 99 99 ASN H H 1 9.32 0.01 . . . . . . A 99 ASN H . 36097 1 509 . 1 1 99 99 ASN HA H 1 4.278 0 . . . . . . A 99 ASN HA . 36097 1 510 . 1 1 99 99 ASN HB2 H 1 2.716 0 . . . . . . A 99 ASN HB2 . 36097 1 511 . 1 1 99 99 ASN HB3 H 1 2.935 0 . . . . . . A 99 ASN HB3 . 36097 1 512 . 1 1 99 99 ASN CA C 13 54.682 0 . . . . . . A 99 ASN CA . 36097 1 513 . 1 1 99 99 ASN CB C 13 36.815 0 . . . . . . A 99 ASN CB . 36097 1 514 . 1 1 99 99 ASN N N 15 128.486 0 . . . . . . A 99 ASN N . 36097 1 515 . 1 1 100 100 GLU H H 1 8.864 0.004 . . . . . . A 100 GLU H . 36097 1 516 . 1 1 100 100 GLU HA H 1 3.401 0 . . . . . . A 100 GLU HA . 36097 1 517 . 1 1 100 100 GLU HB2 H 1 1.922 0 . . . . . . A 100 GLU HB2 . 36097 1 518 . 1 1 100 100 GLU HG2 H 1 2.1 0 . . . . . . A 100 GLU HG2 . 36097 1 519 . 1 1 100 100 GLU CA C 13 58.419 0 . . . . . . A 100 GLU CA . 36097 1 520 . 1 1 100 100 GLU CB C 13 27.437 0 . . . . . . A 100 GLU CB . 36097 1 521 . 1 1 100 100 GLU N N 15 105.597 0.005 . . . . . . A 100 GLU N . 36097 1 522 . 1 1 101 101 GLU H H 1 7.461 0.009 . . . . . . A 101 GLU H . 36097 1 523 . 1 1 101 101 GLU HA H 1 4.689 0 . . . . . . A 101 GLU HA . 36097 1 524 . 1 1 101 101 GLU HB2 H 1 1.963 0 . . . . . . A 101 GLU HB2 . 36097 1 525 . 1 1 101 101 GLU HG2 H 1 2.305 0 . . . . . . A 101 GLU HG2 . 36097 1 526 . 1 1 101 101 GLU CA C 13 54.947 0 . . . . . . A 101 GLU CA . 36097 1 527 . 1 1 101 101 GLU CB C 13 33.395 0 . . . . . . A 101 GLU CB . 36097 1 528 . 1 1 101 101 GLU N N 15 119.92 0 . . . . . . A 101 GLU N . 36097 1 529 . 1 1 102 102 HIS H H 1 8.76 0.002 . . . . . . A 102 HIS H . 36097 1 530 . 1 1 102 102 HIS HA H 1 4.689 0 . . . . . . A 102 HIS HA . 36097 1 531 . 1 1 102 102 HIS CA C 13 59.692 0 . . . . . . A 102 HIS CA . 36097 1 532 . 1 1 102 102 HIS CB C 13 33.117 0 . . . . . . A 102 HIS CB . 36097 1 533 . 1 1 102 102 HIS N N 15 123.119 0.001 . . . . . . A 102 HIS N . 36097 1 534 . 1 1 103 103 ILE H H 1 8.024 0.003 . . . . . . A 103 ILE H . 36097 1 535 . 1 1 103 103 ILE HA H 1 4.401 0 . . . . . . A 103 ILE HA . 36097 1 536 . 1 1 103 103 ILE HB H 1 2.113 0 . . . . . . A 103 ILE HB . 36097 1 537 . 1 1 103 103 ILE CA C 13 61.284 0 . . . . . . A 103 ILE CA . 36097 1 538 . 1 1 103 103 ILE CB C 13 35.7 0 . . . . . . A 103 ILE CB . 36097 1 539 . 1 1 103 103 ILE N N 15 118.004 0 . . . . . . A 103 ILE N . 36097 1 540 . 1 1 105 105 ASP H H 1 7.992 0.006 . . . . . . A 105 ASP H . 36097 1 541 . 1 1 105 105 ASP HA H 1 3.812 0 . . . . . . A 105 ASP HA . 36097 1 542 . 1 1 105 105 ASP HB2 H 1 3.278 0 . . . . . . A 105 ASP HB2 . 36097 1 543 . 1 1 105 105 ASP CA C 13 57.375 0 . . . . . . A 105 ASP CA . 36097 1 544 . 1 1 105 105 ASP CB C 13 40.313 0 . . . . . . A 105 ASP CB . 36097 1 545 . 1 1 105 105 ASP N N 15 114.791 0.005 . . . . . . A 105 ASP N . 36097 1 546 . 1 1 106 106 SER H H 1 7.405 0.012 . . . . . . A 106 SER H . 36097 1 547 . 1 1 106 106 SER HA H 1 3.728 0 . . . . . . A 106 SER HA . 36097 1 548 . 1 1 106 106 SER CA C 13 55.326 0 . . . . . . A 106 SER CA . 36097 1 549 . 1 1 106 106 SER CB C 13 63.781 0 . . . . . . A 106 SER CB . 36097 1 550 . 1 1 106 106 SER N N 15 111.905 0.005 . . . . . . A 106 SER N . 36097 1 551 . 1 1 108 108 PHE H H 1 9.303 0.004 . . . . . . A 108 PHE H . 36097 1 552 . 1 1 108 108 PHE HA H 1 5.182 0 . . . . . . A 108 PHE HA . 36097 1 553 . 1 1 108 108 PHE HB2 H 1 2.867 0 . . . . . . A 108 PHE HB2 . 36097 1 554 . 1 1 108 108 PHE HD1 H 1 7.195 0 . . . . . . A 108 PHE HD1 . 36097 1 555 . 1 1 108 108 PHE CA C 13 57.091 0 . . . . . . A 108 PHE CA . 36097 1 556 . 1 1 108 108 PHE CB C 13 41.002 0 . . . . . . A 108 PHE CB . 36097 1 557 . 1 1 108 108 PHE N N 15 121.463 0 . . . . . . A 108 PHE N . 36097 1 558 . 1 1 109 109 VAL H H 1 8.723 0.007 . . . . . . A 109 VAL H . 36097 1 559 . 1 1 109 109 VAL HA H 1 4.661 0 . . . . . . A 109 VAL HA . 36097 1 560 . 1 1 109 109 VAL HB H 1 1.894 0 . . . . . . A 109 VAL HB . 36097 1 561 . 1 1 109 109 VAL HG11 H 1 0.785 0 . . . . . . A 109 VAL HG11 . 36097 1 562 . 1 1 109 109 VAL HG12 H 1 0.785 0 . . . . . . A 109 VAL HG12 . 36097 1 563 . 1 1 109 109 VAL HG13 H 1 0.785 0 . . . . . . A 109 VAL HG13 . 36097 1 564 . 1 1 109 109 VAL CA C 13 63.092 0 . . . . . . A 109 VAL CA . 36097 1 565 . 1 1 109 109 VAL CB C 13 32.022 0 . . . . . . A 109 VAL CB . 36097 1 566 . 1 1 109 109 VAL N N 15 124.573 0.007 . . . . . . A 109 VAL N . 36097 1 567 . 1 1 110 110 VAL H H 1 9.436 0.007 . . . . . . A 110 VAL H . 36097 1 568 . 1 1 110 110 VAL HA H 1 4.552 0 . . . . . . A 110 VAL HA . 36097 1 569 . 1 1 110 110 VAL HB H 1 1.812 0 . . . . . . A 110 VAL HB . 36097 1 570 . 1 1 110 110 VAL HG11 H 1 0.703 0 . . . . . . A 110 VAL HG11 . 36097 1 571 . 1 1 110 110 VAL HG12 H 1 0.703 0 . . . . . . A 110 VAL HG12 . 36097 1 572 . 1 1 110 110 VAL HG13 H 1 0.703 0 . . . . . . A 110 VAL HG13 . 36097 1 573 . 1 1 110 110 VAL CA C 13 60.203 0 . . . . . . A 110 VAL CA . 36097 1 574 . 1 1 110 110 VAL CB C 13 35.746 0 . . . . . . A 110 VAL CB . 36097 1 575 . 1 1 110 110 VAL N N 15 131.986 0 . . . . . . A 110 VAL N . 36097 1 576 . 1 1 112 112 VAL H H 1 9.099 0.01 . . . . . . A 112 VAL H . 36097 1 577 . 1 1 112 112 VAL HA H 1 4.963 0 . . . . . . A 112 VAL HA . 36097 1 578 . 1 1 112 112 VAL HB H 1 2.305 0 . . . . . . A 112 VAL HB . 36097 1 579 . 1 1 112 112 VAL HG11 H 1 0.73 0 . . . . . . A 112 VAL HG11 . 36097 1 580 . 1 1 112 112 VAL HG12 H 1 0.73 0 . . . . . . A 112 VAL HG12 . 36097 1 581 . 1 1 112 112 VAL HG13 H 1 0.73 0 . . . . . . A 112 VAL HG13 . 36097 1 582 . 1 1 112 112 VAL HG21 H 1 0.483 0 . . . . . . A 112 VAL HG21 . 36097 1 583 . 1 1 112 112 VAL HG22 H 1 0.483 0 . . . . . . A 112 VAL HG22 . 36097 1 584 . 1 1 112 112 VAL HG23 H 1 0.483 0 . . . . . . A 112 VAL HG23 . 36097 1 585 . 1 1 112 112 VAL CA C 13 62.247 0 . . . . . . A 112 VAL CA . 36097 1 586 . 1 1 112 112 VAL CB C 13 32.282 0 . . . . . . A 112 VAL CB . 36097 1 587 . 1 1 112 112 VAL N N 15 126.199 0.001 . . . . . . A 112 VAL N . 36097 1 588 . 1 1 113 113 ALA H H 1 8.494 0.007 . . . . . . A 113 ALA H . 36097 1 589 . 1 1 113 113 ALA HA H 1 4.441 0 . . . . . . A 113 ALA HA . 36097 1 590 . 1 1 113 113 ALA HB1 H 1 1.497 0 . . . . . . A 113 ALA HB1 . 36097 1 591 . 1 1 113 113 ALA HB2 H 1 1.497 0 . . . . . . A 113 ALA HB2 . 36097 1 592 . 1 1 113 113 ALA HB3 H 1 1.497 0 . . . . . . A 113 ALA HB3 . 36097 1 593 . 1 1 113 113 ALA CA C 13 51.647 0 . . . . . . A 113 ALA CA . 36097 1 594 . 1 1 113 113 ALA CB C 13 22.12 0 . . . . . . A 113 ALA CB . 36097 1 595 . 1 1 113 113 ALA N N 15 131.622 0 . . . . . . A 113 ALA N . 36097 1 596 . 1 1 114 114 SER H H 1 8.613 0.003 . . . . . . A 114 SER H . 36097 1 597 . 1 1 114 114 SER HA H 1 4.634 0 . . . . . . A 114 SER HA . 36097 1 598 . 1 1 114 114 SER HB2 H 1 3.812 0 . . . . . . A 114 SER HB2 . 36097 1 599 . 1 1 114 114 SER CA C 13 58.086 0 . . . . . . A 114 SER CA . 36097 1 600 . 1 1 114 114 SER CB C 13 63.489 0 . . . . . . A 114 SER CB . 36097 1 601 . 1 1 114 114 SER N N 15 116.195 0.012 . . . . . . A 114 SER N . 36097 1 602 . 1 1 116 116 SER H H 1 8.036 0.015 . . . . . . A 116 SER H . 36097 1 603 . 1 1 116 116 SER HA H 1 4.195 0 . . . . . . A 116 SER HA . 36097 1 604 . 1 1 116 116 SER HB2 H 1 3.798 0 . . . . . . A 116 SER HB2 . 36097 1 605 . 1 1 116 116 SER CA C 13 60.532 0 . . . . . . A 116 SER CA . 36097 1 606 . 1 1 116 116 SER CB C 13 65.635 0 . . . . . . A 116 SER CB . 36097 1 607 . 1 1 116 116 SER N N 15 122.538 0 . . . . . . A 116 SER N . 36097 1 stop_ save_