data_10212 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10212 _Entry.Title ; Solution structure of the SH3 domain of the human SRC-like adopter protein (SLAP) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-09 _Entry.Accession_date 2008-04-10 _Entry.Last_release_date 2010-03-11 _Entry.Original_release_date 2010-03-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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.Entry_ID 1 S. Ohnishi . . . 10212 2 T. Kigawa . . . 10212 3 N. Tochio . . . 10212 4 M. Sato . . . 10212 5 N. Nameki . . . 10212 6 S. Koshiba . . . 10212 7 M. Inoue . . . 10212 8 S. Yokoyama . . . 10212 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 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10212 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10212 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 304 10212 '15N chemical shifts' 68 10212 '1H chemical shifts' 475 10212 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 . . 2010-03-11 2008-04-09 original author . 10212 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CUD 'BMRB Entry Tracking System' 10212 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10212 _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 ; Solution structure of the SH3 domain of the human SRC-like adopter protein (SLAP) ; _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 . _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.Entry_ID _Citation_author.Citation_ID 1 S. Ohnishi . . . 10212 1 2 T. Kigawa . . . 10212 1 3 N. Tochio . . . 10212 1 4 M. Sato . . . 10212 1 5 N. Nameki . . . 10212 1 6 S. Koshiba . . . 10212 1 7 M. Inoue . . . 10212 1 8 S. Yokoyama . . . 10212 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10212 _Assembly.ID 1 _Assembly.Name SRC-like-adapter _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 'SH3 domain' 1 $entity_1 . . yes native no no . . . 10212 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2CUD . . . . . . 10212 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10212 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPLPNPEGLDSDFL AVLSDYPSPDISPPIFRRGE KLRVISDEGGWWKAISLSTG RESYIPGICVARVSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CUD . "Solution Structure Of The Sh3 Domain Of The Human Src-Like Adopter Protein (Slap)" . . . . . 100.00 79 100.00 100.00 1.31e-45 . . . . 10212 1 2 no DBJ BAA13758 . "Src-like adapter protein [Homo sapiens]" . . . . . 83.54 276 100.00 100.00 2.34e-37 . . . . 10212 1 3 no DBJ BAE89471 . "unnamed protein product [Macaca fascicularis]" . . . . . 83.54 276 100.00 100.00 1.70e-37 . . . . 10212 1 4 no DBJ BAG35478 . "unnamed protein product [Homo sapiens]" . . . . . 83.54 276 100.00 100.00 2.34e-37 . . . . 10212 1 5 no DBJ BAG73760 . "Src-like-adaptor [synthetic construct]" . . . . . 83.54 276 100.00 100.00 2.34e-37 . . . . 10212 1 6 no DBJ BAH12578 . "unnamed protein product [Homo sapiens]" . . . . . 83.54 249 100.00 100.00 1.41e-37 . . . . 10212 1 7 no EMBL CAB53536 . "Src-like adaptor protein [Homo sapiens]" . . . . . 73.42 72 98.28 98.28 1.32e-30 . . . . 10212 1 8 no EMBL CAG38774 . "SLA [Homo sapiens]" . . . . . 83.54 276 100.00 100.00 2.34e-37 . . . . 10212 1 9 no GB AAC27662 . "Src-like adapter protein [Homo sapiens]" . . . . . 83.54 276 100.00 100.00 2.34e-37 . . . . 10212 1 10 no GB AAC50357 . "src-like adapter protein [Homo sapiens]" . . . . . 83.54 276 100.00 100.00 2.34e-37 . . . . 10212 1 11 no GB AAH07042 . "Src-like-adaptor [Homo sapiens]" . . . . . 83.54 276 100.00 100.00 2.34e-37 . . . . 10212 1 12 no GB AAV38795 . "Src-like-adaptor [synthetic construct]" . . . . . 83.54 277 100.00 100.00 2.30e-37 . . . . 10212 1 13 no GB AAV38796 . "Src-like-adaptor [synthetic construct]" . . . . . 83.54 277 98.48 98.48 9.75e-37 . . . . 10212 1 14 no PRF 2204265A . "Src-like adapter protein" . . . . . 83.54 276 100.00 100.00 2.34e-37 . . . . 10212 1 15 no REF NP_001039021 . "src-like-adapter isoform a [Homo sapiens]" . . . . . 83.54 276 100.00 100.00 2.34e-37 . . . . 10212 1 16 no REF NP_001039022 . "src-like-adapter isoform b [Homo sapiens]" . . . . . 83.54 293 100.00 100.00 3.41e-37 . . . . 10212 1 17 no REF NP_001269893 . "src-like-adapter isoform d [Homo sapiens]" . . . . . 83.54 249 100.00 100.00 1.41e-37 . . . . 10212 1 18 no REF NP_001274231 . "Src-like-adaptor [Macaca fascicularis]" . . . . . 83.54 276 100.00 100.00 1.70e-37 . . . . 10212 1 19 no REF NP_006739 . "src-like-adapter isoform c [Homo sapiens]" . . . . . 83.54 316 100.00 100.00 7.03e-37 . . . . 10212 1 20 no SP Q13239 . "RecName: Full=Src-like-adapter; AltName: Full=Src-like-adapter protein 1; Short=SLAP-1; Short=hSLAP" . . . . . 83.54 276 100.00 100.00 2.34e-37 . . . . 10212 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 10212 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 . GLY . 10212 1 2 . SER . 10212 1 3 . SER . 10212 1 4 . GLY . 10212 1 5 . SER . 10212 1 6 . SER . 10212 1 7 . GLY . 10212 1 8 . PRO . 10212 1 9 . LEU . 10212 1 10 . PRO . 10212 1 11 . ASN . 10212 1 12 . PRO . 10212 1 13 . GLU . 10212 1 14 . GLY . 10212 1 15 . LEU . 10212 1 16 . ASP . 10212 1 17 . SER . 10212 1 18 . ASP . 10212 1 19 . PHE . 10212 1 20 . LEU . 10212 1 21 . ALA . 10212 1 22 . VAL . 10212 1 23 . LEU . 10212 1 24 . SER . 10212 1 25 . ASP . 10212 1 26 . TYR . 10212 1 27 . PRO . 10212 1 28 . SER . 10212 1 29 . PRO . 10212 1 30 . ASP . 10212 1 31 . ILE . 10212 1 32 . SER . 10212 1 33 . PRO . 10212 1 34 . PRO . 10212 1 35 . ILE . 10212 1 36 . PHE . 10212 1 37 . ARG . 10212 1 38 . ARG . 10212 1 39 . GLY . 10212 1 40 . GLU . 10212 1 41 . LYS . 10212 1 42 . LEU . 10212 1 43 . ARG . 10212 1 44 . VAL . 10212 1 45 . ILE . 10212 1 46 . SER . 10212 1 47 . ASP . 10212 1 48 . GLU . 10212 1 49 . GLY . 10212 1 50 . GLY . 10212 1 51 . TRP . 10212 1 52 . TRP . 10212 1 53 . LYS . 10212 1 54 . ALA . 10212 1 55 . ILE . 10212 1 56 . SER . 10212 1 57 . LEU . 10212 1 58 . SER . 10212 1 59 . THR . 10212 1 60 . GLY . 10212 1 61 . ARG . 10212 1 62 . GLU . 10212 1 63 . SER . 10212 1 64 . TYR . 10212 1 65 . ILE . 10212 1 66 . PRO . 10212 1 67 . GLY . 10212 1 68 . ILE . 10212 1 69 . CYS . 10212 1 70 . VAL . 10212 1 71 . ALA . 10212 1 72 . ARG . 10212 1 73 . VAL . 10212 1 74 . SER . 10212 1 75 . GLY . 10212 1 76 . PRO . 10212 1 77 . SER . 10212 1 78 . SER . 10212 1 79 . GLY . 10212 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10212 1 . SER 2 2 10212 1 . SER 3 3 10212 1 . GLY 4 4 10212 1 . SER 5 5 10212 1 . SER 6 6 10212 1 . GLY 7 7 10212 1 . PRO 8 8 10212 1 . LEU 9 9 10212 1 . PRO 10 10 10212 1 . ASN 11 11 10212 1 . PRO 12 12 10212 1 . GLU 13 13 10212 1 . GLY 14 14 10212 1 . LEU 15 15 10212 1 . ASP 16 16 10212 1 . SER 17 17 10212 1 . ASP 18 18 10212 1 . PHE 19 19 10212 1 . LEU 20 20 10212 1 . ALA 21 21 10212 1 . VAL 22 22 10212 1 . LEU 23 23 10212 1 . SER 24 24 10212 1 . ASP 25 25 10212 1 . TYR 26 26 10212 1 . PRO 27 27 10212 1 . SER 28 28 10212 1 . PRO 29 29 10212 1 . ASP 30 30 10212 1 . ILE 31 31 10212 1 . SER 32 32 10212 1 . PRO 33 33 10212 1 . PRO 34 34 10212 1 . ILE 35 35 10212 1 . PHE 36 36 10212 1 . ARG 37 37 10212 1 . ARG 38 38 10212 1 . GLY 39 39 10212 1 . GLU 40 40 10212 1 . LYS 41 41 10212 1 . LEU 42 42 10212 1 . ARG 43 43 10212 1 . VAL 44 44 10212 1 . ILE 45 45 10212 1 . SER 46 46 10212 1 . ASP 47 47 10212 1 . GLU 48 48 10212 1 . GLY 49 49 10212 1 . GLY 50 50 10212 1 . TRP 51 51 10212 1 . TRP 52 52 10212 1 . LYS 53 53 10212 1 . ALA 54 54 10212 1 . ILE 55 55 10212 1 . SER 56 56 10212 1 . LEU 57 57 10212 1 . SER 58 58 10212 1 . THR 59 59 10212 1 . GLY 60 60 10212 1 . ARG 61 61 10212 1 . GLU 62 62 10212 1 . SER 63 63 10212 1 . TYR 64 64 10212 1 . ILE 65 65 10212 1 . PRO 66 66 10212 1 . GLY 67 67 10212 1 . ILE 68 68 10212 1 . CYS 69 69 10212 1 . VAL 70 70 10212 1 . ALA 71 71 10212 1 . ARG 72 72 10212 1 . VAL 73 73 10212 1 . SER 74 74 10212 1 . GLY 75 75 10212 1 . PRO 76 76 10212 1 . SER 77 77 10212 1 . SER 78 78 10212 1 . GLY 79 79 10212 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 10212 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _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 . . . . . . . . . . . . . . . . . . . . . 10212 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 10212 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'Cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P040921-09 . . . . . . 10212 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10212 _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 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.28 . . mM . . . . 10212 1 2 d-TrisHCl . . . . . . buffer 20 . . mM . . . . 10212 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10212 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10212 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10212 1 6 H2O . . . . . . solvent 90 . . % . . . . 10212 1 7 D2O . . . . . . solvent 10 . . % . . . . 10212 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10212 _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' 120 0.1 mM 10212 1 pH 7.0 0.05 pH 10212 1 pressure 1 0.001 atm 10212 1 temperature 298 0.1 K 10212 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10212 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10212 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10212 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10212 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10212 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10212 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10212 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0,4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 10212 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10212 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10212 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10212 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10212 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10212 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10212 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10212 5 'structure solution' 10212 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 10212 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 10212 _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 . 900 . . . 10212 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 10212 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10212 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10212 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10212 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10212 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10212 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10212 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10212 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10212 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10212 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 6 6 SER CA C 13 58.416 0.300 . 1 . . . . 6 SER CA . 10212 1 2 . 1 1 6 6 SER HA H 1 4.653 0.030 . 1 . . . . 6 SER HA . 10212 1 3 . 1 1 6 6 SER CB C 13 64.409 0.300 . 1 . . . . 6 SER CB . 10212 1 4 . 1 1 6 6 SER HB2 H 1 3.868 0.030 . 2 . . . . 6 SER HB2 . 10212 1 5 . 1 1 7 7 GLY N N 15 110.730 0.300 . 1 . . . . 7 GLY N . 10212 1 6 . 1 1 7 7 GLY H H 1 8.205 0.030 . 1 . . . . 7 GLY H . 10212 1 7 . 1 1 8 8 PRO CA C 13 62.968 0.300 . 1 . . . . 8 PRO CA . 10212 1 8 . 1 1 8 8 PRO HA H 1 4.423 0.030 . 1 . . . . 8 PRO HA . 10212 1 9 . 1 1 8 8 PRO CB C 13 32.070 0.300 . 1 . . . . 8 PRO CB . 10212 1 10 . 1 1 8 8 PRO HB2 H 1 1.897 0.030 . 2 . . . . 8 PRO HB2 . 10212 1 11 . 1 1 8 8 PRO HB3 H 1 2.232 0.030 . 2 . . . . 8 PRO HB3 . 10212 1 12 . 1 1 8 8 PRO CG C 13 26.955 0.300 . 1 . . . . 8 PRO CG . 10212 1 13 . 1 1 8 8 PRO HG2 H 1 1.976 0.030 . 2 . . . . 8 PRO HG2 . 10212 1 14 . 1 1 8 8 PRO CD C 13 49.843 0.300 . 1 . . . . 8 PRO CD . 10212 1 15 . 1 1 8 8 PRO HD2 H 1 3.593 0.030 . 2 . . . . 8 PRO HD2 . 10212 1 16 . 1 1 9 9 LEU N N 15 123.783 0.300 . 1 . . . . 9 LEU N . 10212 1 17 . 1 1 9 9 LEU H H 1 8.369 0.030 . 1 . . . . 9 LEU H . 10212 1 18 . 1 1 9 9 LEU CA C 13 53.002 0.300 . 1 . . . . 9 LEU CA . 10212 1 19 . 1 1 9 9 LEU HA H 1 4.594 0.030 . 1 . . . . 9 LEU HA . 10212 1 20 . 1 1 9 9 LEU CB C 13 41.805 0.300 . 1 . . . . 9 LEU CB . 10212 1 21 . 1 1 9 9 LEU HB2 H 1 1.585 0.030 . 2 . . . . 9 LEU HB2 . 10212 1 22 . 1 1 9 9 LEU HB3 H 1 1.553 0.030 . 2 . . . . 9 LEU HB3 . 10212 1 23 . 1 1 9 9 LEU CG C 13 27.123 0.300 . 1 . . . . 9 LEU CG . 10212 1 24 . 1 1 9 9 LEU HG H 1 1.699 0.030 . 1 . . . . 9 LEU HG . 10212 1 25 . 1 1 9 9 LEU CD1 C 13 23.411 0.300 . 2 . . . . 9 LEU CD1 . 10212 1 26 . 1 1 9 9 LEU HD11 H 1 0.918 0.030 . 1 . . . . 9 LEU HD1 . 10212 1 27 . 1 1 9 9 LEU HD12 H 1 0.918 0.030 . 1 . . . . 9 LEU HD1 . 10212 1 28 . 1 1 9 9 LEU HD13 H 1 0.918 0.030 . 1 . . . . 9 LEU HD1 . 10212 1 29 . 1 1 9 9 LEU CD2 C 13 23.243 0.300 . 2 . . . . 9 LEU CD2 . 10212 1 30 . 1 1 9 9 LEU HD21 H 1 0.940 0.030 . 1 . . . . 9 LEU HD2 . 10212 1 31 . 1 1 9 9 LEU HD22 H 1 0.940 0.030 . 1 . . . . 9 LEU HD2 . 10212 1 32 . 1 1 9 9 LEU HD23 H 1 0.940 0.030 . 1 . . . . 9 LEU HD2 . 10212 1 33 . 1 1 10 10 PRO CA C 13 62.994 0.300 . 1 . . . . 10 PRO CA . 10212 1 34 . 1 1 10 10 PRO HA H 1 4.389 0.030 . 1 . . . . 10 PRO HA . 10212 1 35 . 1 1 10 10 PRO CB C 13 31.948 0.300 . 1 . . . . 10 PRO CB . 10212 1 36 . 1 1 10 10 PRO HB2 H 1 2.263 0.030 . 2 . . . . 10 PRO HB2 . 10212 1 37 . 1 1 10 10 PRO HB3 H 1 1.854 0.030 . 2 . . . . 10 PRO HB3 . 10212 1 38 . 1 1 10 10 PRO CG C 13 27.121 0.300 . 1 . . . . 10 PRO CG . 10212 1 39 . 1 1 10 10 PRO HG2 H 1 1.932 0.030 . 2 . . . . 10 PRO HG2 . 10212 1 40 . 1 1 10 10 PRO HG3 H 1 2.005 0.030 . 2 . . . . 10 PRO HG3 . 10212 1 41 . 1 1 10 10 PRO CD C 13 50.487 0.300 . 1 . . . . 10 PRO CD . 10212 1 42 . 1 1 10 10 PRO HD2 H 1 3.629 0.030 . 2 . . . . 10 PRO HD2 . 10212 1 43 . 1 1 10 10 PRO HD3 H 1 3.815 0.030 . 2 . . . . 10 PRO HD3 . 10212 1 44 . 1 1 11 11 ASN N N 15 120.999 0.300 . 1 . . . . 11 ASN N . 10212 1 45 . 1 1 11 11 ASN H H 1 8.051 0.030 . 1 . . . . 11 ASN H . 10212 1 46 . 1 1 11 11 ASN CA C 13 51.363 0.300 . 1 . . . . 11 ASN CA . 10212 1 47 . 1 1 11 11 ASN HA H 1 4.931 0.030 . 1 . . . . 11 ASN HA . 10212 1 48 . 1 1 11 11 ASN CB C 13 38.778 0.300 . 1 . . . . 11 ASN CB . 10212 1 49 . 1 1 11 11 ASN HB2 H 1 2.844 0.030 . 2 . . . . 11 ASN HB2 . 10212 1 50 . 1 1 11 11 ASN HB3 H 1 2.710 0.030 . 2 . . . . 11 ASN HB3 . 10212 1 51 . 1 1 11 11 ASN ND2 N 15 113.119 0.300 . 1 . . . . 11 ASN ND2 . 10212 1 52 . 1 1 11 11 ASN HD21 H 1 7.693 0.030 . 2 . . . . 11 ASN HD21 . 10212 1 53 . 1 1 11 11 ASN HD22 H 1 7.027 0.030 . 2 . . . . 11 ASN HD22 . 10212 1 54 . 1 1 12 12 PRO CA C 13 63.779 0.300 . 1 . . . . 12 PRO CA . 10212 1 55 . 1 1 12 12 PRO HA H 1 4.399 0.030 . 1 . . . . 12 PRO HA . 10212 1 56 . 1 1 12 12 PRO CB C 13 32.071 0.300 . 1 . . . . 12 PRO CB . 10212 1 57 . 1 1 12 12 PRO HB2 H 1 2.272 0.030 . 2 . . . . 12 PRO HB2 . 10212 1 58 . 1 1 12 12 PRO HB3 H 1 1.964 0.030 . 2 . . . . 12 PRO HB3 . 10212 1 59 . 1 1 12 12 PRO CG C 13 27.331 0.300 . 1 . . . . 12 PRO CG . 10212 1 60 . 1 1 12 12 PRO HG2 H 1 2.010 0.030 . 2 . . . . 12 PRO HG2 . 10212 1 61 . 1 1 12 12 PRO CD C 13 50.483 0.300 . 1 . . . . 12 PRO CD . 10212 1 62 . 1 1 12 12 PRO HD2 H 1 3.748 0.030 . 2 . . . . 12 PRO HD2 . 10212 1 63 . 1 1 12 12 PRO HD3 H 1 3.805 0.030 . 2 . . . . 12 PRO HD3 . 10212 1 64 . 1 1 12 12 PRO C C 13 177.129 0.300 . 1 . . . . 12 PRO C . 10212 1 65 . 1 1 13 13 GLU N N 15 119.898 0.300 . 1 . . . . 13 GLU N . 10212 1 66 . 1 1 13 13 GLU H H 1 8.458 0.030 . 1 . . . . 13 GLU H . 10212 1 67 . 1 1 13 13 GLU CA C 13 56.837 0.300 . 1 . . . . 13 GLU CA . 10212 1 68 . 1 1 13 13 GLU HA H 1 4.275 0.030 . 1 . . . . 13 GLU HA . 10212 1 69 . 1 1 13 13 GLU CB C 13 30.141 0.300 . 1 . . . . 13 GLU CB . 10212 1 70 . 1 1 13 13 GLU HB2 H 1 2.077 0.030 . 2 . . . . 13 GLU HB2 . 10212 1 71 . 1 1 13 13 GLU HB3 H 1 1.950 0.030 . 2 . . . . 13 GLU HB3 . 10212 1 72 . 1 1 13 13 GLU CG C 13 36.460 0.300 . 1 . . . . 13 GLU CG . 10212 1 73 . 1 1 13 13 GLU HG2 H 1 2.270 0.030 . 2 . . . . 13 GLU HG2 . 10212 1 74 . 1 1 13 13 GLU HG3 H 1 2.270 0.030 . 2 . . . . 13 GLU HG3 . 10212 1 75 . 1 1 13 13 GLU C C 13 177.080 0.300 . 1 . . . . 13 GLU C . 10212 1 76 . 1 1 14 14 GLY N N 15 109.219 0.300 . 1 . . . . 14 GLY N . 10212 1 77 . 1 1 14 14 GLY H H 1 8.282 0.030 . 1 . . . . 14 GLY H . 10212 1 78 . 1 1 14 14 GLY CA C 13 45.532 0.300 . 1 . . . . 14 GLY CA . 10212 1 79 . 1 1 14 14 GLY HA2 H 1 3.959 0.030 . 2 . . . . 14 GLY HA2 . 10212 1 80 . 1 1 14 14 GLY C C 13 174.191 0.300 . 1 . . . . 14 GLY C . 10212 1 81 . 1 1 15 15 LEU N N 15 121.302 0.300 . 1 . . . . 15 LEU N . 10212 1 82 . 1 1 15 15 LEU H H 1 8.078 0.030 . 1 . . . . 15 LEU H . 10212 1 83 . 1 1 15 15 LEU CA C 13 55.115 0.300 . 1 . . . . 15 LEU CA . 10212 1 84 . 1 1 15 15 LEU HA H 1 4.396 0.030 . 1 . . . . 15 LEU HA . 10212 1 85 . 1 1 15 15 LEU CB C 13 42.592 0.300 . 1 . . . . 15 LEU CB . 10212 1 86 . 1 1 15 15 LEU HB2 H 1 1.613 0.030 . 2 . . . . 15 LEU HB2 . 10212 1 87 . 1 1 15 15 LEU HB3 H 1 1.613 0.030 . 2 . . . . 15 LEU HB3 . 10212 1 88 . 1 1 15 15 LEU CG C 13 26.954 0.300 . 1 . . . . 15 LEU CG . 10212 1 89 . 1 1 15 15 LEU HG H 1 1.605 0.030 . 1 . . . . 15 LEU HG . 10212 1 90 . 1 1 15 15 LEU CD1 C 13 25.093 0.300 . 2 . . . . 15 LEU CD1 . 10212 1 91 . 1 1 15 15 LEU HD11 H 1 0.900 0.030 . 1 . . . . 15 LEU HD1 . 10212 1 92 . 1 1 15 15 LEU HD12 H 1 0.900 0.030 . 1 . . . . 15 LEU HD1 . 10212 1 93 . 1 1 15 15 LEU HD13 H 1 0.900 0.030 . 1 . . . . 15 LEU HD1 . 10212 1 94 . 1 1 15 15 LEU CD2 C 13 23.415 0.300 . 2 . . . . 15 LEU CD2 . 10212 1 95 . 1 1 15 15 LEU HD21 H 1 0.854 0.030 . 1 . . . . 15 LEU HD2 . 10212 1 96 . 1 1 15 15 LEU HD22 H 1 0.854 0.030 . 1 . . . . 15 LEU HD2 . 10212 1 97 . 1 1 15 15 LEU HD23 H 1 0.854 0.030 . 1 . . . . 15 LEU HD2 . 10212 1 98 . 1 1 15 15 LEU C C 13 177.250 0.300 . 1 . . . . 15 LEU C . 10212 1 99 . 1 1 16 16 ASP N N 15 120.881 0.300 . 1 . . . . 16 ASP N . 10212 1 100 . 1 1 16 16 ASP H H 1 8.451 0.030 . 1 . . . . 16 ASP H . 10212 1 101 . 1 1 16 16 ASP CA C 13 54.514 0.300 . 1 . . . . 16 ASP CA . 10212 1 102 . 1 1 16 16 ASP HA H 1 4.644 0.030 . 1 . . . . 16 ASP HA . 10212 1 103 . 1 1 16 16 ASP CB C 13 41.138 0.300 . 1 . . . . 16 ASP CB . 10212 1 104 . 1 1 16 16 ASP HB2 H 1 2.719 0.030 . 2 . . . . 16 ASP HB2 . 10212 1 105 . 1 1 16 16 ASP HB3 H 1 2.631 0.030 . 2 . . . . 16 ASP HB3 . 10212 1 106 . 1 1 16 16 ASP C C 13 176.157 0.300 . 1 . . . . 16 ASP C . 10212 1 107 . 1 1 17 17 SER N N 15 115.170 0.300 . 1 . . . . 17 SER N . 10212 1 108 . 1 1 17 17 SER H H 1 8.063 0.030 . 1 . . . . 17 SER H . 10212 1 109 . 1 1 17 17 SER CA C 13 58.242 0.300 . 1 . . . . 17 SER CA . 10212 1 110 . 1 1 17 17 SER HA H 1 4.464 0.030 . 1 . . . . 17 SER HA . 10212 1 111 . 1 1 17 17 SER CB C 13 64.595 0.300 . 1 . . . . 17 SER CB . 10212 1 112 . 1 1 17 17 SER HB2 H 1 3.736 0.030 . 2 . . . . 17 SER HB2 . 10212 1 113 . 1 1 17 17 SER HB3 H 1 3.673 0.030 . 2 . . . . 17 SER HB3 . 10212 1 114 . 1 1 17 17 SER C C 13 173.049 0.300 . 1 . . . . 17 SER C . 10212 1 115 . 1 1 18 18 ASP N N 15 121.851 0.300 . 1 . . . . 18 ASP N . 10212 1 116 . 1 1 18 18 ASP H H 1 8.228 0.030 . 1 . . . . 18 ASP H . 10212 1 117 . 1 1 18 18 ASP CA C 13 54.019 0.300 . 1 . . . . 18 ASP CA . 10212 1 118 . 1 1 18 18 ASP HA H 1 4.792 0.030 . 1 . . . . 18 ASP HA . 10212 1 119 . 1 1 18 18 ASP CB C 13 41.962 0.300 . 1 . . . . 18 ASP CB . 10212 1 120 . 1 1 18 18 ASP HB2 H 1 2.503 0.030 . 2 . . . . 18 ASP HB2 . 10212 1 121 . 1 1 18 18 ASP HB3 H 1 2.364 0.030 . 2 . . . . 18 ASP HB3 . 10212 1 122 . 1 1 18 18 ASP C C 13 174.798 0.300 . 1 . . . . 18 ASP C . 10212 1 123 . 1 1 19 19 PHE N N 15 117.691 0.300 . 1 . . . . 19 PHE N . 10212 1 124 . 1 1 19 19 PHE H H 1 8.235 0.030 . 1 . . . . 19 PHE H . 10212 1 125 . 1 1 19 19 PHE CA C 13 56.318 0.300 . 1 . . . . 19 PHE CA . 10212 1 126 . 1 1 19 19 PHE HA H 1 5.362 0.030 . 1 . . . . 19 PHE HA . 10212 1 127 . 1 1 19 19 PHE CB C 13 42.237 0.300 . 1 . . . . 19 PHE CB . 10212 1 128 . 1 1 19 19 PHE HB2 H 1 2.783 0.030 . 2 . . . . 19 PHE HB2 . 10212 1 129 . 1 1 19 19 PHE HB3 H 1 2.908 0.030 . 2 . . . . 19 PHE HB3 . 10212 1 130 . 1 1 19 19 PHE CD1 C 13 131.973 0.300 . 1 . . . . 19 PHE CD1 . 10212 1 131 . 1 1 19 19 PHE HD1 H 1 7.114 0.030 . 1 . . . . 19 PHE HD1 . 10212 1 132 . 1 1 19 19 PHE CD2 C 13 131.973 0.300 . 1 . . . . 19 PHE CD2 . 10212 1 133 . 1 1 19 19 PHE HD2 H 1 7.114 0.030 . 1 . . . . 19 PHE HD2 . 10212 1 134 . 1 1 19 19 PHE CE1 C 13 131.283 0.300 . 1 . . . . 19 PHE CE1 . 10212 1 135 . 1 1 19 19 PHE HE1 H 1 7.280 0.030 . 1 . . . . 19 PHE HE1 . 10212 1 136 . 1 1 19 19 PHE CE2 C 13 131.283 0.300 . 1 . . . . 19 PHE CE2 . 10212 1 137 . 1 1 19 19 PHE HE2 H 1 7.280 0.030 . 1 . . . . 19 PHE HE2 . 10212 1 138 . 1 1 19 19 PHE CZ C 13 129.816 0.300 . 1 . . . . 19 PHE CZ . 10212 1 139 . 1 1 19 19 PHE HZ H 1 7.287 0.030 . 1 . . . . 19 PHE HZ . 10212 1 140 . 1 1 19 19 PHE C C 13 174.361 0.300 . 1 . . . . 19 PHE C . 10212 1 141 . 1 1 20 20 LEU N N 15 118.643 0.300 . 1 . . . . 20 LEU N . 10212 1 142 . 1 1 20 20 LEU H H 1 8.974 0.030 . 1 . . . . 20 LEU H . 10212 1 143 . 1 1 20 20 LEU CA C 13 52.475 0.300 . 1 . . . . 20 LEU CA . 10212 1 144 . 1 1 20 20 LEU HA H 1 4.917 0.030 . 1 . . . . 20 LEU HA . 10212 1 145 . 1 1 20 20 LEU CB C 13 45.521 0.300 . 1 . . . . 20 LEU CB . 10212 1 146 . 1 1 20 20 LEU HB2 H 1 1.128 0.030 . 2 . . . . 20 LEU HB2 . 10212 1 147 . 1 1 20 20 LEU HB3 H 1 0.763 0.030 . 2 . . . . 20 LEU HB3 . 10212 1 148 . 1 1 20 20 LEU CG C 13 25.506 0.300 . 1 . . . . 20 LEU CG . 10212 1 149 . 1 1 20 20 LEU HG H 1 0.903 0.030 . 1 . . . . 20 LEU HG . 10212 1 150 . 1 1 20 20 LEU CD1 C 13 24.923 0.300 . 2 . . . . 20 LEU CD1 . 10212 1 151 . 1 1 20 20 LEU HD11 H 1 -0.106 0.030 . 1 . . . . 20 LEU HD1 . 10212 1 152 . 1 1 20 20 LEU HD12 H 1 -0.106 0.030 . 1 . . . . 20 LEU HD1 . 10212 1 153 . 1 1 20 20 LEU HD13 H 1 -0.106 0.030 . 1 . . . . 20 LEU HD1 . 10212 1 154 . 1 1 20 20 LEU CD2 C 13 20.677 0.300 . 2 . . . . 20 LEU CD2 . 10212 1 155 . 1 1 20 20 LEU HD21 H 1 -0.325 0.030 . 1 . . . . 20 LEU HD2 . 10212 1 156 . 1 1 20 20 LEU HD22 H 1 -0.325 0.030 . 1 . . . . 20 LEU HD2 . 10212 1 157 . 1 1 20 20 LEU HD23 H 1 -0.325 0.030 . 1 . . . . 20 LEU HD2 . 10212 1 158 . 1 1 20 20 LEU C C 13 175.332 0.300 . 1 . . . . 20 LEU C . 10212 1 159 . 1 1 21 21 ALA N N 15 123.838 0.300 . 1 . . . . 21 ALA N . 10212 1 160 . 1 1 21 21 ALA H H 1 9.122 0.030 . 1 . . . . 21 ALA H . 10212 1 161 . 1 1 21 21 ALA CA C 13 50.102 0.300 . 1 . . . . 21 ALA CA . 10212 1 162 . 1 1 21 21 ALA HA H 1 4.996 0.030 . 1 . . . . 21 ALA HA . 10212 1 163 . 1 1 21 21 ALA CB C 13 20.907 0.300 . 1 . . . . 21 ALA CB . 10212 1 164 . 1 1 21 21 ALA HB1 H 1 1.202 0.030 . 1 . . . . 21 ALA HB . 10212 1 165 . 1 1 21 21 ALA HB2 H 1 1.202 0.030 . 1 . . . . 21 ALA HB . 10212 1 166 . 1 1 21 21 ALA HB3 H 1 1.202 0.030 . 1 . . . . 21 ALA HB . 10212 1 167 . 1 1 21 21 ALA C C 13 176.983 0.300 . 1 . . . . 21 ALA C . 10212 1 168 . 1 1 22 22 VAL N N 15 121.277 0.300 . 1 . . . . 22 VAL N . 10212 1 169 . 1 1 22 22 VAL H H 1 8.391 0.030 . 1 . . . . 22 VAL H . 10212 1 170 . 1 1 22 22 VAL CA C 13 63.624 0.300 . 1 . . . . 22 VAL CA . 10212 1 171 . 1 1 22 22 VAL HA H 1 3.956 0.030 . 1 . . . . 22 VAL HA . 10212 1 172 . 1 1 22 22 VAL CB C 13 31.171 0.300 . 1 . . . . 22 VAL CB . 10212 1 173 . 1 1 22 22 VAL HB H 1 2.195 0.030 . 1 . . . . 22 VAL HB . 10212 1 174 . 1 1 22 22 VAL CG1 C 13 23.371 0.300 . 2 . . . . 22 VAL CG1 . 10212 1 175 . 1 1 22 22 VAL HG11 H 1 0.750 0.030 . 1 . . . . 22 VAL HG1 . 10212 1 176 . 1 1 22 22 VAL HG12 H 1 0.750 0.030 . 1 . . . . 22 VAL HG1 . 10212 1 177 . 1 1 22 22 VAL HG13 H 1 0.750 0.030 . 1 . . . . 22 VAL HG1 . 10212 1 178 . 1 1 22 22 VAL CG2 C 13 23.236 0.300 . 2 . . . . 22 VAL CG2 . 10212 1 179 . 1 1 22 22 VAL HG21 H 1 0.682 0.030 . 1 . . . . 22 VAL HG2 . 10212 1 180 . 1 1 22 22 VAL HG22 H 1 0.682 0.030 . 1 . . . . 22 VAL HG2 . 10212 1 181 . 1 1 22 22 VAL HG23 H 1 0.682 0.030 . 1 . . . . 22 VAL HG2 . 10212 1 182 . 1 1 22 22 VAL C C 13 177.857 0.300 . 1 . . . . 22 VAL C . 10212 1 183 . 1 1 23 23 LEU N N 15 130.453 0.300 . 1 . . . . 23 LEU N . 10212 1 184 . 1 1 23 23 LEU H H 1 9.358 0.030 . 1 . . . . 23 LEU H . 10212 1 185 . 1 1 23 23 LEU CA C 13 56.033 0.300 . 1 . . . . 23 LEU CA . 10212 1 186 . 1 1 23 23 LEU HA H 1 4.282 0.030 . 1 . . . . 23 LEU HA . 10212 1 187 . 1 1 23 23 LEU CB C 13 43.031 0.300 . 1 . . . . 23 LEU CB . 10212 1 188 . 1 1 23 23 LEU HB2 H 1 1.521 0.030 . 2 . . . . 23 LEU HB2 . 10212 1 189 . 1 1 23 23 LEU HB3 H 1 1.521 0.030 . 2 . . . . 23 LEU HB3 . 10212 1 190 . 1 1 23 23 LEU CG C 13 26.757 0.300 . 1 . . . . 23 LEU CG . 10212 1 191 . 1 1 23 23 LEU HG H 1 1.469 0.030 . 1 . . . . 23 LEU HG . 10212 1 192 . 1 1 23 23 LEU CD1 C 13 25.473 0.300 . 2 . . . . 23 LEU CD1 . 10212 1 193 . 1 1 23 23 LEU HD11 H 1 0.740 0.030 . 1 . . . . 23 LEU HD1 . 10212 1 194 . 1 1 23 23 LEU HD12 H 1 0.740 0.030 . 1 . . . . 23 LEU HD1 . 10212 1 195 . 1 1 23 23 LEU HD13 H 1 0.740 0.030 . 1 . . . . 23 LEU HD1 . 10212 1 196 . 1 1 23 23 LEU CD2 C 13 21.669 0.300 . 2 . . . . 23 LEU CD2 . 10212 1 197 . 1 1 23 23 LEU HD21 H 1 0.713 0.030 . 1 . . . . 23 LEU HD2 . 10212 1 198 . 1 1 23 23 LEU HD22 H 1 0.713 0.030 . 1 . . . . 23 LEU HD2 . 10212 1 199 . 1 1 23 23 LEU HD23 H 1 0.713 0.030 . 1 . . . . 23 LEU HD2 . 10212 1 200 . 1 1 23 23 LEU C C 13 176.983 0.300 . 1 . . . . 23 LEU C . 10212 1 201 . 1 1 24 24 SER N N 15 112.624 0.300 . 1 . . . . 24 SER N . 10212 1 202 . 1 1 24 24 SER H H 1 7.414 0.030 . 1 . . . . 24 SER H . 10212 1 203 . 1 1 24 24 SER CA C 13 56.671 0.300 . 1 . . . . 24 SER CA . 10212 1 204 . 1 1 24 24 SER HA H 1 4.559 0.030 . 1 . . . . 24 SER HA . 10212 1 205 . 1 1 24 24 SER CB C 13 65.527 0.300 . 1 . . . . 24 SER CB . 10212 1 206 . 1 1 24 24 SER HB2 H 1 3.842 0.030 . 2 . . . . 24 SER HB2 . 10212 1 207 . 1 1 24 24 SER HB3 H 1 3.712 0.030 . 2 . . . . 24 SER HB3 . 10212 1 208 . 1 1 24 24 SER C C 13 170.646 0.300 . 1 . . . . 24 SER C . 10212 1 209 . 1 1 25 25 ASP N N 15 121.157 0.300 . 1 . . . . 25 ASP N . 10212 1 210 . 1 1 25 25 ASP H H 1 8.438 0.030 . 1 . . . . 25 ASP H . 10212 1 211 . 1 1 25 25 ASP CA C 13 55.553 0.300 . 1 . . . . 25 ASP CA . 10212 1 212 . 1 1 25 25 ASP HA H 1 4.621 0.030 . 1 . . . . 25 ASP HA . 10212 1 213 . 1 1 25 25 ASP CB C 13 41.188 0.300 . 1 . . . . 25 ASP CB . 10212 1 214 . 1 1 25 25 ASP HB2 H 1 2.605 0.030 . 2 . . . . 25 ASP HB2 . 10212 1 215 . 1 1 26 26 TYR N N 15 120.949 0.300 . 1 . . . . 26 TYR N . 10212 1 216 . 1 1 26 26 TYR H H 1 9.006 0.030 . 1 . . . . 26 TYR H . 10212 1 217 . 1 1 26 26 TYR CA C 13 55.794 0.300 . 1 . . . . 26 TYR CA . 10212 1 218 . 1 1 26 26 TYR HA H 1 4.769 0.030 . 1 . . . . 26 TYR HA . 10212 1 219 . 1 1 26 26 TYR CB C 13 43.171 0.300 . 1 . . . . 26 TYR CB . 10212 1 220 . 1 1 26 26 TYR HB2 H 1 2.856 0.030 . 2 . . . . 26 TYR HB2 . 10212 1 221 . 1 1 26 26 TYR HB3 H 1 3.338 0.030 . 2 . . . . 26 TYR HB3 . 10212 1 222 . 1 1 26 26 TYR CD1 C 13 133.267 0.300 . 1 . . . . 26 TYR CD1 . 10212 1 223 . 1 1 26 26 TYR HD1 H 1 7.371 0.030 . 1 . . . . 26 TYR HD1 . 10212 1 224 . 1 1 26 26 TYR CD2 C 13 133.267 0.300 . 1 . . . . 26 TYR CD2 . 10212 1 225 . 1 1 26 26 TYR HD2 H 1 7.371 0.030 . 1 . . . . 26 TYR HD2 . 10212 1 226 . 1 1 26 26 TYR CE1 C 13 118.740 0.300 . 1 . . . . 26 TYR CE1 . 10212 1 227 . 1 1 26 26 TYR HE1 H 1 7.103 0.030 . 1 . . . . 26 TYR HE1 . 10212 1 228 . 1 1 26 26 TYR CE2 C 13 118.740 0.300 . 1 . . . . 26 TYR CE2 . 10212 1 229 . 1 1 26 26 TYR HE2 H 1 7.103 0.030 . 1 . . . . 26 TYR HE2 . 10212 1 230 . 1 1 27 27 PRO CA C 13 62.928 0.300 . 1 . . . . 27 PRO CA . 10212 1 231 . 1 1 27 27 PRO HA H 1 3.750 0.030 . 1 . . . . 27 PRO HA . 10212 1 232 . 1 1 27 27 PRO CB C 13 33.803 0.300 . 1 . . . . 27 PRO CB . 10212 1 233 . 1 1 27 27 PRO HB2 H 1 1.931 0.030 . 2 . . . . 27 PRO HB2 . 10212 1 234 . 1 1 27 27 PRO HB3 H 1 1.714 0.030 . 2 . . . . 27 PRO HB3 . 10212 1 235 . 1 1 27 27 PRO CG C 13 25.963 0.300 . 1 . . . . 27 PRO CG . 10212 1 236 . 1 1 27 27 PRO HG2 H 1 1.168 0.030 . 2 . . . . 27 PRO HG2 . 10212 1 237 . 1 1 27 27 PRO HG3 H 1 1.635 0.030 . 2 . . . . 27 PRO HG3 . 10212 1 238 . 1 1 27 27 PRO CD C 13 49.857 0.300 . 1 . . . . 27 PRO CD . 10212 1 239 . 1 1 27 27 PRO HD2 H 1 3.299 0.030 . 2 . . . . 27 PRO HD2 . 10212 1 240 . 1 1 27 27 PRO HD3 H 1 3.230 0.030 . 2 . . . . 27 PRO HD3 . 10212 1 241 . 1 1 27 27 PRO C C 13 173.244 0.300 . 1 . . . . 27 PRO C . 10212 1 242 . 1 1 28 28 SER N N 15 112.815 0.300 . 1 . . . . 28 SER N . 10212 1 243 . 1 1 28 28 SER H H 1 7.927 0.030 . 1 . . . . 28 SER H . 10212 1 244 . 1 1 28 28 SER CA C 13 56.518 0.300 . 1 . . . . 28 SER CA . 10212 1 245 . 1 1 28 28 SER HA H 1 4.501 0.030 . 1 . . . . 28 SER HA . 10212 1 246 . 1 1 28 28 SER CB C 13 63.124 0.300 . 1 . . . . 28 SER CB . 10212 1 247 . 1 1 28 28 SER HB2 H 1 3.863 0.030 . 2 . . . . 28 SER HB2 . 10212 1 248 . 1 1 28 28 SER HB3 H 1 4.089 0.030 . 2 . . . . 28 SER HB3 . 10212 1 249 . 1 1 28 28 SER C C 13 174.943 0.300 . 1 . . . . 28 SER C . 10212 1 250 . 1 1 29 29 PRO CA C 13 64.495 0.300 . 1 . . . . 29 PRO CA . 10212 1 251 . 1 1 29 29 PRO HA H 1 4.570 0.030 . 1 . . . . 29 PRO HA . 10212 1 252 . 1 1 29 29 PRO CB C 13 31.364 0.300 . 1 . . . . 29 PRO CB . 10212 1 253 . 1 1 29 29 PRO HB2 H 1 2.175 0.030 . 2 . . . . 29 PRO HB2 . 10212 1 254 . 1 1 29 29 PRO HB3 H 1 1.978 0.030 . 2 . . . . 29 PRO HB3 . 10212 1 255 . 1 1 29 29 PRO CG C 13 27.448 0.300 . 1 . . . . 29 PRO CG . 10212 1 256 . 1 1 29 29 PRO HG2 H 1 2.102 0.030 . 2 . . . . 29 PRO HG2 . 10212 1 257 . 1 1 29 29 PRO HG3 H 1 2.006 0.030 . 2 . . . . 29 PRO HG3 . 10212 1 258 . 1 1 29 29 PRO CD C 13 50.928 0.300 . 1 . . . . 29 PRO CD . 10212 1 259 . 1 1 29 29 PRO HD2 H 1 3.875 0.030 . 2 . . . . 29 PRO HD2 . 10212 1 260 . 1 1 29 29 PRO HD3 H 1 3.726 0.030 . 2 . . . . 29 PRO HD3 . 10212 1 261 . 1 1 29 29 PRO C C 13 177.299 0.300 . 1 . . . . 29 PRO C . 10212 1 262 . 1 1 30 30 ASP N N 15 116.144 0.300 . 1 . . . . 30 ASP N . 10212 1 263 . 1 1 30 30 ASP H H 1 8.627 0.030 . 1 . . . . 30 ASP H . 10212 1 264 . 1 1 30 30 ASP CA C 13 55.093 0.300 . 1 . . . . 30 ASP CA . 10212 1 265 . 1 1 30 30 ASP HA H 1 4.325 0.030 . 1 . . . . 30 ASP HA . 10212 1 266 . 1 1 30 30 ASP CB C 13 39.325 0.300 . 1 . . . . 30 ASP CB . 10212 1 267 . 1 1 30 30 ASP HB2 H 1 2.651 0.030 . 2 . . . . 30 ASP HB2 . 10212 1 268 . 1 1 30 30 ASP HB3 H 1 2.577 0.030 . 2 . . . . 30 ASP HB3 . 10212 1 269 . 1 1 30 30 ASP C C 13 175.939 0.300 . 1 . . . . 30 ASP C . 10212 1 270 . 1 1 31 31 ILE N N 15 121.272 0.300 . 1 . . . . 31 ILE N . 10212 1 271 . 1 1 31 31 ILE H H 1 8.301 0.030 . 1 . . . . 31 ILE H . 10212 1 272 . 1 1 31 31 ILE CA C 13 62.206 0.300 . 1 . . . . 31 ILE CA . 10212 1 273 . 1 1 31 31 ILE HA H 1 4.037 0.030 . 1 . . . . 31 ILE HA . 10212 1 274 . 1 1 31 31 ILE CB C 13 38.327 0.300 . 1 . . . . 31 ILE CB . 10212 1 275 . 1 1 31 31 ILE HB H 1 2.039 0.030 . 1 . . . . 31 ILE HB . 10212 1 276 . 1 1 31 31 ILE CG1 C 13 27.218 0.300 . 1 . . . . 31 ILE CG1 . 10212 1 277 . 1 1 31 31 ILE HG12 H 1 1.430 0.030 . 2 . . . . 31 ILE HG12 . 10212 1 278 . 1 1 31 31 ILE HG13 H 1 1.165 0.030 . 2 . . . . 31 ILE HG13 . 10212 1 279 . 1 1 31 31 ILE CG2 C 13 16.751 0.300 . 1 . . . . 31 ILE CG2 . 10212 1 280 . 1 1 31 31 ILE HG21 H 1 0.855 0.030 . 1 . . . . 31 ILE HG2 . 10212 1 281 . 1 1 31 31 ILE HG22 H 1 0.855 0.030 . 1 . . . . 31 ILE HG2 . 10212 1 282 . 1 1 31 31 ILE HG23 H 1 0.855 0.030 . 1 . . . . 31 ILE HG2 . 10212 1 283 . 1 1 31 31 ILE CD1 C 13 11.666 0.300 . 1 . . . . 31 ILE CD1 . 10212 1 284 . 1 1 31 31 ILE HD11 H 1 0.807 0.030 . 1 . . . . 31 ILE HD1 . 10212 1 285 . 1 1 31 31 ILE HD12 H 1 0.807 0.030 . 1 . . . . 31 ILE HD1 . 10212 1 286 . 1 1 31 31 ILE HD13 H 1 0.807 0.030 . 1 . . . . 31 ILE HD1 . 10212 1 287 . 1 1 31 31 ILE C C 13 176.084 0.300 . 1 . . . . 31 ILE C . 10212 1 288 . 1 1 32 32 SER N N 15 114.541 0.300 . 1 . . . . 32 SER N . 10212 1 289 . 1 1 32 32 SER H H 1 7.997 0.030 . 1 . . . . 32 SER H . 10212 1 290 . 1 1 32 32 SER CA C 13 57.382 0.300 . 1 . . . . 32 SER CA . 10212 1 291 . 1 1 32 32 SER HA H 1 4.643 0.030 . 1 . . . . 32 SER HA . 10212 1 292 . 1 1 32 32 SER CB C 13 63.850 0.300 . 1 . . . . 32 SER CB . 10212 1 293 . 1 1 32 32 SER HB2 H 1 3.643 0.030 . 2 . . . . 32 SER HB2 . 10212 1 294 . 1 1 32 32 SER HB3 H 1 3.831 0.030 . 2 . . . . 32 SER HB3 . 10212 1 295 . 1 1 32 32 SER C C 13 169.844 0.300 . 1 . . . . 32 SER C . 10212 1 296 . 1 1 33 33 PRO CA C 13 61.486 0.300 . 1 . . . . 33 PRO CA . 10212 1 297 . 1 1 33 33 PRO HA H 1 4.543 0.030 . 1 . . . . 33 PRO HA . 10212 1 298 . 1 1 33 33 PRO CB C 13 30.836 0.300 . 1 . . . . 33 PRO CB . 10212 1 299 . 1 1 33 33 PRO HB2 H 1 1.670 0.030 . 2 . . . . 33 PRO HB2 . 10212 1 300 . 1 1 33 33 PRO HB3 H 1 2.291 0.030 . 2 . . . . 33 PRO HB3 . 10212 1 301 . 1 1 33 33 PRO CG C 13 28.190 0.300 . 1 . . . . 33 PRO CG . 10212 1 302 . 1 1 33 33 PRO HG2 H 1 1.865 0.030 . 2 . . . . 33 PRO HG2 . 10212 1 303 . 1 1 33 33 PRO HG3 H 1 2.018 0.030 . 2 . . . . 33 PRO HG3 . 10212 1 304 . 1 1 33 33 PRO CD C 13 50.508 0.300 . 1 . . . . 33 PRO CD . 10212 1 305 . 1 1 33 33 PRO HD2 H 1 3.521 0.030 . 2 . . . . 33 PRO HD2 . 10212 1 306 . 1 1 33 33 PRO HD3 H 1 3.662 0.030 . 2 . . . . 33 PRO HD3 . 10212 1 307 . 1 1 34 34 PRO CA C 13 63.980 0.300 . 1 . . . . 34 PRO CA . 10212 1 308 . 1 1 34 34 PRO HA H 1 4.093 0.030 . 1 . . . . 34 PRO HA . 10212 1 309 . 1 1 34 34 PRO CB C 13 32.359 0.300 . 1 . . . . 34 PRO CB . 10212 1 310 . 1 1 34 34 PRO HB2 H 1 2.197 0.030 . 2 . . . . 34 PRO HB2 . 10212 1 311 . 1 1 34 34 PRO HB3 H 1 1.558 0.030 . 2 . . . . 34 PRO HB3 . 10212 1 312 . 1 1 34 34 PRO CG C 13 27.218 0.300 . 1 . . . . 34 PRO CG . 10212 1 313 . 1 1 34 34 PRO HG2 H 1 1.930 0.030 . 2 . . . . 34 PRO HG2 . 10212 1 314 . 1 1 34 34 PRO HG3 H 1 2.147 0.030 . 2 . . . . 34 PRO HG3 . 10212 1 315 . 1 1 34 34 PRO CD C 13 50.393 0.300 . 1 . . . . 34 PRO CD . 10212 1 316 . 1 1 34 34 PRO HD2 H 1 3.836 0.030 . 2 . . . . 34 PRO HD2 . 10212 1 317 . 1 1 34 34 PRO HD3 H 1 3.532 0.030 . 2 . . . . 34 PRO HD3 . 10212 1 318 . 1 1 35 35 ILE N N 15 125.558 0.300 . 1 . . . . 35 ILE N . 10212 1 319 . 1 1 35 35 ILE H H 1 9.396 0.030 . 1 . . . . 35 ILE H . 10212 1 320 . 1 1 35 35 ILE CA C 13 63.159 0.300 . 1 . . . . 35 ILE CA . 10212 1 321 . 1 1 35 35 ILE HA H 1 3.803 0.030 . 1 . . . . 35 ILE HA . 10212 1 322 . 1 1 35 35 ILE CB C 13 39.592 0.300 . 1 . . . . 35 ILE CB . 10212 1 323 . 1 1 35 35 ILE HB H 1 1.535 0.030 . 1 . . . . 35 ILE HB . 10212 1 324 . 1 1 35 35 ILE CG1 C 13 28.363 0.300 . 1 . . . . 35 ILE CG1 . 10212 1 325 . 1 1 35 35 ILE HG12 H 1 0.951 0.030 . 2 . . . . 35 ILE HG12 . 10212 1 326 . 1 1 35 35 ILE HG13 H 1 1.520 0.030 . 2 . . . . 35 ILE HG13 . 10212 1 327 . 1 1 35 35 ILE CG2 C 13 16.103 0.300 . 1 . . . . 35 ILE CG2 . 10212 1 328 . 1 1 35 35 ILE HG21 H 1 0.109 0.030 . 1 . . . . 35 ILE HG2 . 10212 1 329 . 1 1 35 35 ILE HG22 H 1 0.109 0.030 . 1 . . . . 35 ILE HG2 . 10212 1 330 . 1 1 35 35 ILE HG23 H 1 0.109 0.030 . 1 . . . . 35 ILE HG2 . 10212 1 331 . 1 1 35 35 ILE CD1 C 13 13.173 0.300 . 1 . . . . 35 ILE CD1 . 10212 1 332 . 1 1 35 35 ILE HD11 H 1 0.855 0.030 . 1 . . . . 35 ILE HD1 . 10212 1 333 . 1 1 35 35 ILE HD12 H 1 0.855 0.030 . 1 . . . . 35 ILE HD1 . 10212 1 334 . 1 1 35 35 ILE HD13 H 1 0.855 0.030 . 1 . . . . 35 ILE HD1 . 10212 1 335 . 1 1 36 36 PHE N N 15 116.860 0.300 . 1 . . . . 36 PHE N . 10212 1 336 . 1 1 36 36 PHE H H 1 8.089 0.030 . 1 . . . . 36 PHE H . 10212 1 337 . 1 1 36 36 PHE CA C 13 54.651 0.300 . 1 . . . . 36 PHE CA . 10212 1 338 . 1 1 36 36 PHE HA H 1 5.358 0.030 . 1 . . . . 36 PHE HA . 10212 1 339 . 1 1 36 36 PHE CB C 13 43.477 0.300 . 1 . . . . 36 PHE CB . 10212 1 340 . 1 1 36 36 PHE HB2 H 1 2.778 0.030 . 2 . . . . 36 PHE HB2 . 10212 1 341 . 1 1 36 36 PHE HB3 H 1 3.125 0.030 . 2 . . . . 36 PHE HB3 . 10212 1 342 . 1 1 36 36 PHE CD1 C 13 132.459 0.300 . 1 . . . . 36 PHE CD1 . 10212 1 343 . 1 1 36 36 PHE HD1 H 1 7.334 0.030 . 1 . . . . 36 PHE HD1 . 10212 1 344 . 1 1 36 36 PHE CD2 C 13 132.459 0.300 . 1 . . . . 36 PHE CD2 . 10212 1 345 . 1 1 36 36 PHE HD2 H 1 7.334 0.030 . 1 . . . . 36 PHE HD2 . 10212 1 346 . 1 1 36 36 PHE CE1 C 13 131.089 0.300 . 1 . . . . 36 PHE CE1 . 10212 1 347 . 1 1 36 36 PHE HE1 H 1 7.062 0.030 . 1 . . . . 36 PHE HE1 . 10212 1 348 . 1 1 36 36 PHE CE2 C 13 131.089 0.300 . 1 . . . . 36 PHE CE2 . 10212 1 349 . 1 1 36 36 PHE HE2 H 1 7.062 0.030 . 1 . . . . 36 PHE HE2 . 10212 1 350 . 1 1 36 36 PHE CZ C 13 131.934 0.300 . 1 . . . . 36 PHE CZ . 10212 1 351 . 1 1 36 36 PHE HZ H 1 7.114 0.030 . 1 . . . . 36 PHE HZ . 10212 1 352 . 1 1 36 36 PHE C C 13 174.409 0.300 . 1 . . . . 36 PHE C . 10212 1 353 . 1 1 37 37 ARG N N 15 121.329 0.300 . 1 . . . . 37 ARG N . 10212 1 354 . 1 1 37 37 ARG H H 1 9.277 0.030 . 1 . . . . 37 ARG H . 10212 1 355 . 1 1 37 37 ARG CA C 13 53.960 0.300 . 1 . . . . 37 ARG CA . 10212 1 356 . 1 1 37 37 ARG HA H 1 4.892 0.030 . 1 . . . . 37 ARG HA . 10212 1 357 . 1 1 37 37 ARG CB C 13 32.913 0.300 . 1 . . . . 37 ARG CB . 10212 1 358 . 1 1 37 37 ARG HB2 H 1 1.881 0.030 . 2 . . . . 37 ARG HB2 . 10212 1 359 . 1 1 37 37 ARG HB3 H 1 1.738 0.030 . 2 . . . . 37 ARG HB3 . 10212 1 360 . 1 1 37 37 ARG CG C 13 28.147 0.300 . 1 . . . . 37 ARG CG . 10212 1 361 . 1 1 37 37 ARG HG2 H 1 1.657 0.030 . 2 . . . . 37 ARG HG2 . 10212 1 362 . 1 1 37 37 ARG HG3 H 1 1.507 0.030 . 2 . . . . 37 ARG HG3 . 10212 1 363 . 1 1 37 37 ARG CD C 13 43.006 0.300 . 1 . . . . 37 ARG CD . 10212 1 364 . 1 1 37 37 ARG HD2 H 1 3.127 0.030 . 2 . . . . 37 ARG HD2 . 10212 1 365 . 1 1 37 37 ARG C C 13 175.817 0.300 . 1 . . . . 37 ARG C . 10212 1 366 . 1 1 38 38 ARG N N 15 119.834 0.300 . 1 . . . . 38 ARG N . 10212 1 367 . 1 1 38 38 ARG H H 1 8.827 0.030 . 1 . . . . 38 ARG H . 10212 1 368 . 1 1 38 38 ARG CA C 13 58.285 0.300 . 1 . . . . 38 ARG CA . 10212 1 369 . 1 1 38 38 ARG HA H 1 3.445 0.030 . 1 . . . . 38 ARG HA . 10212 1 370 . 1 1 38 38 ARG CB C 13 30.138 0.300 . 1 . . . . 38 ARG CB . 10212 1 371 . 1 1 38 38 ARG HB2 H 1 1.598 0.030 . 2 . . . . 38 ARG HB2 . 10212 1 372 . 1 1 38 38 ARG HB3 H 1 1.731 0.030 . 2 . . . . 38 ARG HB3 . 10212 1 373 . 1 1 38 38 ARG CG C 13 26.727 0.300 . 1 . . . . 38 ARG CG . 10212 1 374 . 1 1 38 38 ARG HG2 H 1 1.432 0.030 . 2 . . . . 38 ARG HG2 . 10212 1 375 . 1 1 38 38 ARG HG3 H 1 1.530 0.030 . 2 . . . . 38 ARG HG3 . 10212 1 376 . 1 1 38 38 ARG CD C 13 43.612 0.300 . 1 . . . . 38 ARG CD . 10212 1 377 . 1 1 38 38 ARG HD2 H 1 3.197 0.030 . 2 . . . . 38 ARG HD2 . 10212 1 378 . 1 1 38 38 ARG HD3 H 1 3.275 0.030 . 2 . . . . 38 ARG HD3 . 10212 1 379 . 1 1 38 38 ARG C C 13 177.007 0.300 . 1 . . . . 38 ARG C . 10212 1 380 . 1 1 39 39 GLY N N 15 115.475 0.300 . 1 . . . . 39 GLY N . 10212 1 381 . 1 1 39 39 GLY H H 1 8.958 0.030 . 1 . . . . 39 GLY H . 10212 1 382 . 1 1 39 39 GLY CA C 13 44.710 0.300 . 1 . . . . 39 GLY CA . 10212 1 383 . 1 1 39 39 GLY HA2 H 1 4.430 0.030 . 2 . . . . 39 GLY HA2 . 10212 1 384 . 1 1 39 39 GLY HA3 H 1 3.632 0.030 . 2 . . . . 39 GLY HA3 . 10212 1 385 . 1 1 39 39 GLY C C 13 174.603 0.300 . 1 . . . . 39 GLY C . 10212 1 386 . 1 1 40 40 GLU N N 15 122.920 0.300 . 1 . . . . 40 GLU N . 10212 1 387 . 1 1 40 40 GLU H H 1 8.291 0.030 . 1 . . . . 40 GLU H . 10212 1 388 . 1 1 40 40 GLU CA C 13 58.394 0.300 . 1 . . . . 40 GLU CA . 10212 1 389 . 1 1 40 40 GLU HA H 1 4.152 0.030 . 1 . . . . 40 GLU HA . 10212 1 390 . 1 1 40 40 GLU CB C 13 31.865 0.300 . 1 . . . . 40 GLU CB . 10212 1 391 . 1 1 40 40 GLU HB2 H 1 2.068 0.030 . 2 . . . . 40 GLU HB2 . 10212 1 392 . 1 1 40 40 GLU HB3 H 1 2.258 0.030 . 2 . . . . 40 GLU HB3 . 10212 1 393 . 1 1 40 40 GLU CG C 13 37.992 0.300 . 1 . . . . 40 GLU CG . 10212 1 394 . 1 1 40 40 GLU HG2 H 1 2.342 0.030 . 2 . . . . 40 GLU HG2 . 10212 1 395 . 1 1 40 40 GLU HG3 H 1 2.510 0.030 . 2 . . . . 40 GLU HG3 . 10212 1 396 . 1 1 40 40 GLU C C 13 174.652 0.300 . 1 . . . . 40 GLU C . 10212 1 397 . 1 1 41 41 LYS N N 15 121.488 0.300 . 1 . . . . 41 LYS N . 10212 1 398 . 1 1 41 41 LYS H H 1 8.275 0.030 . 1 . . . . 41 LYS H . 10212 1 399 . 1 1 41 41 LYS CA C 13 54.762 0.300 . 1 . . . . 41 LYS CA . 10212 1 400 . 1 1 41 41 LYS HA H 1 5.246 0.030 . 1 . . . . 41 LYS HA . 10212 1 401 . 1 1 41 41 LYS CB C 13 34.526 0.300 . 1 . . . . 41 LYS CB . 10212 1 402 . 1 1 41 41 LYS HB2 H 1 1.599 0.030 . 2 . . . . 41 LYS HB2 . 10212 1 403 . 1 1 41 41 LYS HB3 H 1 1.727 0.030 . 2 . . . . 41 LYS HB3 . 10212 1 404 . 1 1 41 41 LYS CG C 13 25.377 0.300 . 1 . . . . 41 LYS CG . 10212 1 405 . 1 1 41 41 LYS HG2 H 1 1.272 0.030 . 2 . . . . 41 LYS HG2 . 10212 1 406 . 1 1 41 41 LYS HG3 H 1 1.441 0.030 . 2 . . . . 41 LYS HG3 . 10212 1 407 . 1 1 41 41 LYS CD C 13 29.142 0.300 . 1 . . . . 41 LYS CD . 10212 1 408 . 1 1 41 41 LYS HD2 H 1 1.386 0.030 . 2 . . . . 41 LYS HD2 . 10212 1 409 . 1 1 41 41 LYS HD3 H 1 1.386 0.030 . 2 . . . . 41 LYS HD3 . 10212 1 410 . 1 1 41 41 LYS CE C 13 41.907 0.300 . 1 . . . . 41 LYS CE . 10212 1 411 . 1 1 41 41 LYS HE2 H 1 2.657 0.030 . 2 . . . . 41 LYS HE2 . 10212 1 412 . 1 1 41 41 LYS HE3 H 1 2.589 0.030 . 2 . . . . 41 LYS HE3 . 10212 1 413 . 1 1 41 41 LYS C C 13 175.599 0.300 . 1 . . . . 41 LYS C . 10212 1 414 . 1 1 42 42 LEU N N 15 122.324 0.300 . 1 . . . . 42 LEU N . 10212 1 415 . 1 1 42 42 LEU H H 1 9.432 0.030 . 1 . . . . 42 LEU H . 10212 1 416 . 1 1 42 42 LEU CA C 13 51.939 0.300 . 1 . . . . 42 LEU CA . 10212 1 417 . 1 1 42 42 LEU HA H 1 5.167 0.030 . 1 . . . . 42 LEU HA . 10212 1 418 . 1 1 42 42 LEU CB C 13 44.965 0.300 . 1 . . . . 42 LEU CB . 10212 1 419 . 1 1 42 42 LEU HB2 H 1 1.209 0.030 . 2 . . . . 42 LEU HB2 . 10212 1 420 . 1 1 42 42 LEU HB3 H 1 1.034 0.030 . 2 . . . . 42 LEU HB3 . 10212 1 421 . 1 1 42 42 LEU CG C 13 26.726 0.300 . 1 . . . . 42 LEU CG . 10212 1 422 . 1 1 42 42 LEU HG H 1 1.173 0.030 . 1 . . . . 42 LEU HG . 10212 1 423 . 1 1 42 42 LEU CD1 C 13 25.041 0.300 . 2 . . . . 42 LEU CD1 . 10212 1 424 . 1 1 42 42 LEU HD11 H 1 -0.090 0.030 . 1 . . . . 42 LEU HD1 . 10212 1 425 . 1 1 42 42 LEU HD12 H 1 -0.090 0.030 . 1 . . . . 42 LEU HD1 . 10212 1 426 . 1 1 42 42 LEU HD13 H 1 -0.090 0.030 . 1 . . . . 42 LEU HD1 . 10212 1 427 . 1 1 42 42 LEU CD2 C 13 23.232 0.300 . 2 . . . . 42 LEU CD2 . 10212 1 428 . 1 1 42 42 LEU HD21 H 1 0.140 0.030 . 1 . . . . 42 LEU HD2 . 10212 1 429 . 1 1 42 42 LEU HD22 H 1 0.140 0.030 . 1 . . . . 42 LEU HD2 . 10212 1 430 . 1 1 42 42 LEU HD23 H 1 0.140 0.030 . 1 . . . . 42 LEU HD2 . 10212 1 431 . 1 1 42 42 LEU C C 13 176.084 0.300 . 1 . . . . 42 LEU C . 10212 1 432 . 1 1 43 43 ARG N N 15 122.124 0.300 . 1 . . . . 43 ARG N . 10212 1 433 . 1 1 43 43 ARG H H 1 9.275 0.030 . 1 . . . . 43 ARG H . 10212 1 434 . 1 1 43 43 ARG CA C 13 54.650 0.300 . 1 . . . . 43 ARG CA . 10212 1 435 . 1 1 43 43 ARG HA H 1 4.699 0.030 . 1 . . . . 43 ARG HA . 10212 1 436 . 1 1 43 43 ARG CB C 13 32.466 0.300 . 1 . . . . 43 ARG CB . 10212 1 437 . 1 1 43 43 ARG HB2 H 1 1.791 0.030 . 2 . . . . 43 ARG HB2 . 10212 1 438 . 1 1 43 43 ARG HB3 H 1 1.653 0.030 . 2 . . . . 43 ARG HB3 . 10212 1 439 . 1 1 43 43 ARG CG C 13 27.522 0.300 . 1 . . . . 43 ARG CG . 10212 1 440 . 1 1 43 43 ARG HG2 H 1 1.368 0.030 . 2 . . . . 43 ARG HG2 . 10212 1 441 . 1 1 43 43 ARG HG3 H 1 1.417 0.030 . 2 . . . . 43 ARG HG3 . 10212 1 442 . 1 1 43 43 ARG CD C 13 43.410 0.300 . 1 . . . . 43 ARG CD . 10212 1 443 . 1 1 43 43 ARG HD2 H 1 3.130 0.030 . 2 . . . . 43 ARG HD2 . 10212 1 444 . 1 1 43 43 ARG HD3 H 1 3.132 0.030 . 2 . . . . 43 ARG HD3 . 10212 1 445 . 1 1 43 43 ARG NE N 15 83.177 0.300 . 1 . . . . 43 ARG NE . 10212 1 446 . 1 1 43 43 ARG HE H 1 7.295 0.030 . 1 . . . . 43 ARG HE . 10212 1 447 . 1 1 43 43 ARG C C 13 175.817 0.300 . 1 . . . . 43 ARG C . 10212 1 448 . 1 1 44 44 VAL N N 15 126.032 0.300 . 1 . . . . 44 VAL N . 10212 1 449 . 1 1 44 44 VAL H H 1 8.398 0.030 . 1 . . . . 44 VAL H . 10212 1 450 . 1 1 44 44 VAL CA C 13 65.283 0.300 . 1 . . . . 44 VAL CA . 10212 1 451 . 1 1 44 44 VAL HA H 1 3.476 0.030 . 1 . . . . 44 VAL HA . 10212 1 452 . 1 1 44 44 VAL CB C 13 33.251 0.300 . 1 . . . . 44 VAL CB . 10212 1 453 . 1 1 44 44 VAL HB H 1 1.887 0.030 . 1 . . . . 44 VAL HB . 10212 1 454 . 1 1 44 44 VAL CG1 C 13 21.580 0.300 . 2 . . . . 44 VAL CG1 . 10212 1 455 . 1 1 44 44 VAL HG11 H 1 0.997 0.030 . 1 . . . . 44 VAL HG1 . 10212 1 456 . 1 1 44 44 VAL HG12 H 1 0.997 0.030 . 1 . . . . 44 VAL HG1 . 10212 1 457 . 1 1 44 44 VAL HG13 H 1 0.997 0.030 . 1 . . . . 44 VAL HG1 . 10212 1 458 . 1 1 44 44 VAL CG2 C 13 22.675 0.300 . 2 . . . . 44 VAL CG2 . 10212 1 459 . 1 1 44 44 VAL HG21 H 1 0.515 0.030 . 1 . . . . 44 VAL HG2 . 10212 1 460 . 1 1 44 44 VAL HG22 H 1 0.515 0.030 . 1 . . . . 44 VAL HG2 . 10212 1 461 . 1 1 44 44 VAL HG23 H 1 0.515 0.030 . 1 . . . . 44 VAL HG2 . 10212 1 462 . 1 1 44 44 VAL C C 13 176.036 0.300 . 1 . . . . 44 VAL C . 10212 1 463 . 1 1 45 45 ILE N N 15 127.197 0.300 . 1 . . . . 45 ILE N . 10212 1 464 . 1 1 45 45 ILE H H 1 9.132 0.030 . 1 . . . . 45 ILE H . 10212 1 465 . 1 1 45 45 ILE CA C 13 62.473 0.300 . 1 . . . . 45 ILE CA . 10212 1 466 . 1 1 45 45 ILE HA H 1 4.213 0.030 . 1 . . . . 45 ILE HA . 10212 1 467 . 1 1 45 45 ILE CB C 13 38.423 0.300 . 1 . . . . 45 ILE CB . 10212 1 468 . 1 1 45 45 ILE HB H 1 1.456 0.030 . 1 . . . . 45 ILE HB . 10212 1 469 . 1 1 45 45 ILE CG1 C 13 27.341 0.300 . 1 . . . . 45 ILE CG1 . 10212 1 470 . 1 1 45 45 ILE HG12 H 1 1.096 0.030 . 2 . . . . 45 ILE HG12 . 10212 1 471 . 1 1 45 45 ILE HG13 H 1 1.433 0.030 . 2 . . . . 45 ILE HG13 . 10212 1 472 . 1 1 45 45 ILE CG2 C 13 17.285 0.300 . 1 . . . . 45 ILE CG2 . 10212 1 473 . 1 1 45 45 ILE HG21 H 1 0.889 0.030 . 1 . . . . 45 ILE HG2 . 10212 1 474 . 1 1 45 45 ILE HG22 H 1 0.889 0.030 . 1 . . . . 45 ILE HG2 . 10212 1 475 . 1 1 45 45 ILE HG23 H 1 0.889 0.030 . 1 . . . . 45 ILE HG2 . 10212 1 476 . 1 1 45 45 ILE CD1 C 13 12.638 0.300 . 1 . . . . 45 ILE CD1 . 10212 1 477 . 1 1 45 45 ILE HD11 H 1 0.694 0.030 . 1 . . . . 45 ILE HD1 . 10212 1 478 . 1 1 45 45 ILE HD12 H 1 0.694 0.030 . 1 . . . . 45 ILE HD1 . 10212 1 479 . 1 1 45 45 ILE HD13 H 1 0.694 0.030 . 1 . . . . 45 ILE HD1 . 10212 1 480 . 1 1 45 45 ILE C C 13 176.303 0.300 . 1 . . . . 45 ILE C . 10212 1 481 . 1 1 46 46 SER N N 15 111.976 0.300 . 1 . . . . 46 SER N . 10212 1 482 . 1 1 46 46 SER H H 1 8.237 0.030 . 1 . . . . 46 SER H . 10212 1 483 . 1 1 46 46 SER CA C 13 57.978 0.300 . 1 . . . . 46 SER CA . 10212 1 484 . 1 1 46 46 SER HA H 1 4.663 0.030 . 1 . . . . 46 SER HA . 10212 1 485 . 1 1 46 46 SER CB C 13 64.726 0.300 . 1 . . . . 46 SER CB . 10212 1 486 . 1 1 46 46 SER HB2 H 1 3.839 0.030 . 2 . . . . 46 SER HB2 . 10212 1 487 . 1 1 46 46 SER C C 13 172.248 0.300 . 1 . . . . 46 SER C . 10212 1 488 . 1 1 47 47 ASP N N 15 122.902 0.300 . 1 . . . . 47 ASP N . 10212 1 489 . 1 1 47 47 ASP H H 1 8.533 0.030 . 1 . . . . 47 ASP H . 10212 1 490 . 1 1 47 47 ASP CA C 13 53.299 0.300 . 1 . . . . 47 ASP CA . 10212 1 491 . 1 1 47 47 ASP HA H 1 4.498 0.030 . 1 . . . . 47 ASP HA . 10212 1 492 . 1 1 47 47 ASP CB C 13 41.710 0.300 . 1 . . . . 47 ASP CB . 10212 1 493 . 1 1 47 47 ASP HB2 H 1 2.515 0.030 . 2 . . . . 47 ASP HB2 . 10212 1 494 . 1 1 47 47 ASP HB3 H 1 2.240 0.030 . 2 . . . . 47 ASP HB3 . 10212 1 495 . 1 1 47 47 ASP C C 13 175.866 0.300 . 1 . . . . 47 ASP C . 10212 1 496 . 1 1 48 48 GLU N N 15 123.914 0.300 . 1 . . . . 48 GLU N . 10212 1 497 . 1 1 48 48 GLU H H 1 8.232 0.030 . 1 . . . . 48 GLU H . 10212 1 498 . 1 1 48 48 GLU CA C 13 55.068 0.300 . 1 . . . . 48 GLU CA . 10212 1 499 . 1 1 48 48 GLU HA H 1 4.490 0.030 . 1 . . . . 48 GLU HA . 10212 1 500 . 1 1 48 48 GLU CB C 13 30.004 0.300 . 1 . . . . 48 GLU CB . 10212 1 501 . 1 1 48 48 GLU HB2 H 1 2.166 0.030 . 2 . . . . 48 GLU HB2 . 10212 1 502 . 1 1 48 48 GLU HB3 H 1 1.687 0.030 . 2 . . . . 48 GLU HB3 . 10212 1 503 . 1 1 48 48 GLU CG C 13 35.807 0.300 . 1 . . . . 48 GLU CG . 10212 1 504 . 1 1 48 48 GLU HG2 H 1 2.149 0.030 . 2 . . . . 48 GLU HG2 . 10212 1 505 . 1 1 48 48 GLU C C 13 177.274 0.300 . 1 . . . . 48 GLU C . 10212 1 506 . 1 1 49 49 GLY N N 15 111.930 0.300 . 1 . . . . 49 GLY N . 10212 1 507 . 1 1 49 49 GLY H H 1 8.498 0.030 . 1 . . . . 49 GLY H . 10212 1 508 . 1 1 49 49 GLY CA C 13 47.360 0.300 . 1 . . . . 49 GLY CA . 10212 1 509 . 1 1 49 49 GLY HA2 H 1 3.946 0.030 . 2 . . . . 49 GLY HA2 . 10212 1 510 . 1 1 49 49 GLY HA3 H 1 3.730 0.030 . 2 . . . . 49 GLY HA3 . 10212 1 511 . 1 1 49 49 GLY C C 13 174.919 0.300 . 1 . . . . 49 GLY C . 10212 1 512 . 1 1 50 50 GLY N N 15 110.329 0.300 . 1 . . . . 50 GLY N . 10212 1 513 . 1 1 50 50 GLY H H 1 8.678 0.030 . 1 . . . . 50 GLY H . 10212 1 514 . 1 1 50 50 GLY CA C 13 45.155 0.300 . 1 . . . . 50 GLY CA . 10212 1 515 . 1 1 50 50 GLY HA2 H 1 4.176 0.030 . 2 . . . . 50 GLY HA2 . 10212 1 516 . 1 1 50 50 GLY HA3 H 1 3.576 0.030 . 2 . . . . 50 GLY HA3 . 10212 1 517 . 1 1 50 50 GLY C C 13 173.681 0.300 . 1 . . . . 50 GLY C . 10212 1 518 . 1 1 51 51 TRP N N 15 120.316 0.300 . 1 . . . . 51 TRP N . 10212 1 519 . 1 1 51 51 TRP H H 1 7.453 0.030 . 1 . . . . 51 TRP H . 10212 1 520 . 1 1 51 51 TRP CA C 13 56.282 0.300 . 1 . . . . 51 TRP CA . 10212 1 521 . 1 1 51 51 TRP HA H 1 4.751 0.030 . 1 . . . . 51 TRP HA . 10212 1 522 . 1 1 51 51 TRP CB C 13 32.006 0.300 . 1 . . . . 51 TRP CB . 10212 1 523 . 1 1 51 51 TRP HB2 H 1 3.077 0.030 . 2 . . . . 51 TRP HB2 . 10212 1 524 . 1 1 51 51 TRP HB3 H 1 3.000 0.030 . 2 . . . . 51 TRP HB3 . 10212 1 525 . 1 1 51 51 TRP CD1 C 13 126.873 0.300 . 1 . . . . 51 TRP CD1 . 10212 1 526 . 1 1 51 51 TRP HD1 H 1 7.147 0.030 . 1 . . . . 51 TRP HD1 . 10212 1 527 . 1 1 51 51 TRP NE1 N 15 130.532 0.300 . 1 . . . . 51 TRP NE1 . 10212 1 528 . 1 1 51 51 TRP HE1 H 1 10.210 0.030 . 1 . . . . 51 TRP HE1 . 10212 1 529 . 1 1 51 51 TRP CE3 C 13 119.492 0.300 . 1 . . . . 51 TRP CE3 . 10212 1 530 . 1 1 51 51 TRP HE3 H 1 7.239 0.030 . 1 . . . . 51 TRP HE3 . 10212 1 531 . 1 1 51 51 TRP CZ2 C 13 114.919 0.300 . 1 . . . . 51 TRP CZ2 . 10212 1 532 . 1 1 51 51 TRP HZ2 H 1 7.468 0.030 . 1 . . . . 51 TRP HZ2 . 10212 1 533 . 1 1 51 51 TRP CZ3 C 13 121.507 0.300 . 1 . . . . 51 TRP CZ3 . 10212 1 534 . 1 1 51 51 TRP HZ3 H 1 6.942 0.030 . 1 . . . . 51 TRP HZ3 . 10212 1 535 . 1 1 51 51 TRP CH2 C 13 124.789 0.300 . 1 . . . . 51 TRP CH2 . 10212 1 536 . 1 1 51 51 TRP HH2 H 1 7.314 0.030 . 1 . . . . 51 TRP HH2 . 10212 1 537 . 1 1 51 51 TRP C C 13 174.093 0.300 . 1 . . . . 51 TRP C . 10212 1 538 . 1 1 52 52 TRP N N 15 120.915 0.300 . 1 . . . . 52 TRP N . 10212 1 539 . 1 1 52 52 TRP H H 1 9.122 0.030 . 1 . . . . 52 TRP H . 10212 1 540 . 1 1 52 52 TRP CA C 13 55.642 0.300 . 1 . . . . 52 TRP CA . 10212 1 541 . 1 1 52 52 TRP HA H 1 5.214 0.030 . 1 . . . . 52 TRP HA . 10212 1 542 . 1 1 52 52 TRP CB C 13 31.266 0.300 . 1 . . . . 52 TRP CB . 10212 1 543 . 1 1 52 52 TRP HB2 H 1 2.924 0.030 . 2 . . . . 52 TRP HB2 . 10212 1 544 . 1 1 52 52 TRP HB3 H 1 2.924 0.030 . 2 . . . . 52 TRP HB3 . 10212 1 545 . 1 1 52 52 TRP CD1 C 13 125.802 0.300 . 1 . . . . 52 TRP CD1 . 10212 1 546 . 1 1 52 52 TRP HD1 H 1 6.633 0.030 . 1 . . . . 52 TRP HD1 . 10212 1 547 . 1 1 52 52 TRP NE1 N 15 127.860 0.300 . 1 . . . . 52 TRP NE1 . 10212 1 548 . 1 1 52 52 TRP HE1 H 1 10.054 0.030 . 1 . . . . 52 TRP HE1 . 10212 1 549 . 1 1 52 52 TRP CE3 C 13 120.302 0.300 . 1 . . . . 52 TRP CE3 . 10212 1 550 . 1 1 52 52 TRP HE3 H 1 7.483 0.030 . 1 . . . . 52 TRP HE3 . 10212 1 551 . 1 1 52 52 TRP CZ2 C 13 114.050 0.300 . 1 . . . . 52 TRP CZ2 . 10212 1 552 . 1 1 52 52 TRP HZ2 H 1 7.282 0.030 . 1 . . . . 52 TRP HZ2 . 10212 1 553 . 1 1 52 52 TRP CZ3 C 13 122.415 0.300 . 1 . . . . 52 TRP CZ3 . 10212 1 554 . 1 1 52 52 TRP HZ3 H 1 7.042 0.030 . 1 . . . . 52 TRP HZ3 . 10212 1 555 . 1 1 52 52 TRP CH2 C 13 124.644 0.300 . 1 . . . . 52 TRP CH2 . 10212 1 556 . 1 1 52 52 TRP HH2 H 1 7.092 0.030 . 1 . . . . 52 TRP HH2 . 10212 1 557 . 1 1 52 52 TRP C C 13 175.866 0.300 . 1 . . . . 52 TRP C . 10212 1 558 . 1 1 53 53 LYS N N 15 124.153 0.300 . 1 . . . . 53 LYS N . 10212 1 559 . 1 1 53 53 LYS H H 1 9.176 0.030 . 1 . . . . 53 LYS H . 10212 1 560 . 1 1 53 53 LYS CA C 13 56.186 0.300 . 1 . . . . 53 LYS CA . 10212 1 561 . 1 1 53 53 LYS HA H 1 4.566 0.030 . 1 . . . . 53 LYS HA . 10212 1 562 . 1 1 53 53 LYS CB C 13 33.332 0.300 . 1 . . . . 53 LYS CB . 10212 1 563 . 1 1 53 53 LYS HB2 H 1 1.848 0.030 . 2 . . . . 53 LYS HB2 . 10212 1 564 . 1 1 53 53 LYS HB3 H 1 1.278 0.030 . 2 . . . . 53 LYS HB3 . 10212 1 565 . 1 1 53 53 LYS CG C 13 25.701 0.300 . 1 . . . . 53 LYS CG . 10212 1 566 . 1 1 53 53 LYS HG2 H 1 0.572 0.030 . 2 . . . . 53 LYS HG2 . 10212 1 567 . 1 1 53 53 LYS HG3 H 1 0.953 0.030 . 2 . . . . 53 LYS HG3 . 10212 1 568 . 1 1 53 53 LYS CD C 13 29.094 0.300 . 1 . . . . 53 LYS CD . 10212 1 569 . 1 1 53 53 LYS HD2 H 1 1.389 0.030 . 2 . . . . 53 LYS HD2 . 10212 1 570 . 1 1 53 53 LYS HD3 H 1 1.389 0.030 . 2 . . . . 53 LYS HD3 . 10212 1 571 . 1 1 53 53 LYS CE C 13 41.955 0.300 . 1 . . . . 53 LYS CE . 10212 1 572 . 1 1 53 53 LYS HE2 H 1 2.664 0.030 . 2 . . . . 53 LYS HE2 . 10212 1 573 . 1 1 53 53 LYS HE3 H 1 2.664 0.030 . 2 . . . . 53 LYS HE3 . 10212 1 574 . 1 1 53 53 LYS C C 13 175.550 0.300 . 1 . . . . 53 LYS C . 10212 1 575 . 1 1 54 54 ALA N N 15 131.280 0.300 . 1 . . . . 54 ALA N . 10212 1 576 . 1 1 54 54 ALA H H 1 8.969 0.030 . 1 . . . . 54 ALA H . 10212 1 577 . 1 1 54 54 ALA CA C 13 51.190 0.300 . 1 . . . . 54 ALA CA . 10212 1 578 . 1 1 54 54 ALA HA H 1 5.159 0.030 . 1 . . . . 54 ALA HA . 10212 1 579 . 1 1 54 54 ALA CB C 13 25.152 0.300 . 1 . . . . 54 ALA CB . 10212 1 580 . 1 1 54 54 ALA HB1 H 1 1.038 0.030 . 1 . . . . 54 ALA HB . 10212 1 581 . 1 1 54 54 ALA HB2 H 1 1.038 0.030 . 1 . . . . 54 ALA HB . 10212 1 582 . 1 1 54 54 ALA HB3 H 1 1.038 0.030 . 1 . . . . 54 ALA HB . 10212 1 583 . 1 1 54 54 ALA C C 13 173.414 0.300 . 1 . . . . 54 ALA C . 10212 1 584 . 1 1 55 55 ILE N N 15 116.247 0.300 . 1 . . . . 55 ILE N . 10212 1 585 . 1 1 55 55 ILE H H 1 8.624 0.030 . 1 . . . . 55 ILE H . 10212 1 586 . 1 1 55 55 ILE CA C 13 57.882 0.300 . 1 . . . . 55 ILE CA . 10212 1 587 . 1 1 55 55 ILE HA H 1 5.480 0.030 . 1 . . . . 55 ILE HA . 10212 1 588 . 1 1 55 55 ILE CB C 13 42.374 0.300 . 1 . . . . 55 ILE CB . 10212 1 589 . 1 1 55 55 ILE HB H 1 1.548 0.030 . 1 . . . . 55 ILE HB . 10212 1 590 . 1 1 55 55 ILE CG1 C 13 28.348 0.300 . 1 . . . . 55 ILE CG1 . 10212 1 591 . 1 1 55 55 ILE HG12 H 1 1.390 0.030 . 2 . . . . 55 ILE HG12 . 10212 1 592 . 1 1 55 55 ILE HG13 H 1 0.885 0.030 . 2 . . . . 55 ILE HG13 . 10212 1 593 . 1 1 55 55 ILE CG2 C 13 15.888 0.300 . 1 . . . . 55 ILE CG2 . 10212 1 594 . 1 1 55 55 ILE HG21 H 1 0.898 0.030 . 1 . . . . 55 ILE HG2 . 10212 1 595 . 1 1 55 55 ILE HG22 H 1 0.898 0.030 . 1 . . . . 55 ILE HG2 . 10212 1 596 . 1 1 55 55 ILE HG23 H 1 0.898 0.030 . 1 . . . . 55 ILE HG2 . 10212 1 597 . 1 1 55 55 ILE CD1 C 13 14.234 0.300 . 1 . . . . 55 ILE CD1 . 10212 1 598 . 1 1 55 55 ILE HD11 H 1 0.884 0.030 . 1 . . . . 55 ILE HD1 . 10212 1 599 . 1 1 55 55 ILE HD12 H 1 0.884 0.030 . 1 . . . . 55 ILE HD1 . 10212 1 600 . 1 1 55 55 ILE HD13 H 1 0.884 0.030 . 1 . . . . 55 ILE HD1 . 10212 1 601 . 1 1 55 55 ILE C C 13 175.308 0.300 . 1 . . . . 55 ILE C . 10212 1 602 . 1 1 56 56 SER N N 15 119.497 0.300 . 1 . . . . 56 SER N . 10212 1 603 . 1 1 56 56 SER H H 1 8.757 0.030 . 1 . . . . 56 SER H . 10212 1 604 . 1 1 56 56 SER CA C 13 58.186 0.300 . 1 . . . . 56 SER CA . 10212 1 605 . 1 1 56 56 SER HA H 1 4.633 0.030 . 1 . . . . 56 SER HA . 10212 1 606 . 1 1 56 56 SER CB C 13 63.065 0.300 . 1 . . . . 56 SER CB . 10212 1 607 . 1 1 56 56 SER HB2 H 1 4.253 0.030 . 2 . . . . 56 SER HB2 . 10212 1 608 . 1 1 56 56 SER C C 13 178.051 0.300 . 1 . . . . 56 SER C . 10212 1 609 . 1 1 57 57 LEU N N 15 130.674 0.300 . 1 . . . . 57 LEU N . 10212 1 610 . 1 1 57 57 LEU H H 1 8.970 0.030 . 1 . . . . 57 LEU H . 10212 1 611 . 1 1 57 57 LEU CA C 13 57.046 0.300 . 1 . . . . 57 LEU CA . 10212 1 612 . 1 1 57 57 LEU HA H 1 4.280 0.030 . 1 . . . . 57 LEU HA . 10212 1 613 . 1 1 57 57 LEU CB C 13 41.413 0.300 . 1 . . . . 57 LEU CB . 10212 1 614 . 1 1 57 57 LEU HB2 H 1 1.677 0.030 . 2 . . . . 57 LEU HB2 . 10212 1 615 . 1 1 57 57 LEU HB3 H 1 1.772 0.030 . 2 . . . . 57 LEU HB3 . 10212 1 616 . 1 1 57 57 LEU CG C 13 27.909 0.300 . 1 . . . . 57 LEU CG . 10212 1 617 . 1 1 57 57 LEU HG H 1 1.723 0.030 . 1 . . . . 57 LEU HG . 10212 1 618 . 1 1 57 57 LEU CD1 C 13 25.358 0.300 . 2 . . . . 57 LEU CD1 . 10212 1 619 . 1 1 57 57 LEU HD11 H 1 0.838 0.030 . 1 . . . . 57 LEU HD1 . 10212 1 620 . 1 1 57 57 LEU HD12 H 1 0.838 0.030 . 1 . . . . 57 LEU HD1 . 10212 1 621 . 1 1 57 57 LEU HD13 H 1 0.838 0.030 . 1 . . . . 57 LEU HD1 . 10212 1 622 . 1 1 57 57 LEU CD2 C 13 23.207 0.300 . 2 . . . . 57 LEU CD2 . 10212 1 623 . 1 1 57 57 LEU HD21 H 1 0.938 0.030 . 1 . . . . 57 LEU HD2 . 10212 1 624 . 1 1 57 57 LEU HD22 H 1 0.938 0.030 . 1 . . . . 57 LEU HD2 . 10212 1 625 . 1 1 57 57 LEU HD23 H 1 0.938 0.030 . 1 . . . . 57 LEU HD2 . 10212 1 626 . 1 1 57 57 LEU C C 13 177.469 0.300 . 1 . . . . 57 LEU C . 10212 1 627 . 1 1 58 58 SER N N 15 112.420 0.300 . 1 . . . . 58 SER N . 10212 1 628 . 1 1 58 58 SER H H 1 8.615 0.030 . 1 . . . . 58 SER H . 10212 1 629 . 1 1 58 58 SER CA C 13 59.677 0.300 . 1 . . . . 58 SER CA . 10212 1 630 . 1 1 58 58 SER HA H 1 4.649 0.030 . 1 . . . . 58 SER HA . 10212 1 631 . 1 1 58 58 SER CB C 13 63.934 0.300 . 1 . . . . 58 SER CB . 10212 1 632 . 1 1 58 58 SER HB2 H 1 3.916 0.030 . 2 . . . . 58 SER HB2 . 10212 1 633 . 1 1 58 58 SER C C 13 176.740 0.300 . 1 . . . . 58 SER C . 10212 1 634 . 1 1 59 59 THR N N 15 109.093 0.300 . 1 . . . . 59 THR N . 10212 1 635 . 1 1 59 59 THR H H 1 8.266 0.030 . 1 . . . . 59 THR H . 10212 1 636 . 1 1 59 59 THR CA C 13 61.748 0.300 . 1 . . . . 59 THR CA . 10212 1 637 . 1 1 59 59 THR HA H 1 4.603 0.030 . 1 . . . . 59 THR HA . 10212 1 638 . 1 1 59 59 THR CB C 13 71.340 0.300 . 1 . . . . 59 THR CB . 10212 1 639 . 1 1 59 59 THR HB H 1 4.468 0.030 . 1 . . . . 59 THR HB . 10212 1 640 . 1 1 59 59 THR CG2 C 13 20.798 0.300 . 1 . . . . 59 THR CG2 . 10212 1 641 . 1 1 59 59 THR HG21 H 1 1.282 0.030 . 1 . . . . 59 THR HG2 . 10212 1 642 . 1 1 59 59 THR HG22 H 1 1.282 0.030 . 1 . . . . 59 THR HG2 . 10212 1 643 . 1 1 59 59 THR HG23 H 1 1.282 0.030 . 1 . . . . 59 THR HG2 . 10212 1 644 . 1 1 59 59 THR C C 13 176.910 0.300 . 1 . . . . 59 THR C . 10212 1 645 . 1 1 60 60 GLY N N 15 110.368 0.300 . 1 . . . . 60 GLY N . 10212 1 646 . 1 1 60 60 GLY H H 1 7.840 0.030 . 1 . . . . 60 GLY H . 10212 1 647 . 1 1 60 60 GLY CA C 13 45.760 0.300 . 1 . . . . 60 GLY CA . 10212 1 648 . 1 1 60 60 GLY HA2 H 1 3.805 0.030 . 2 . . . . 60 GLY HA2 . 10212 1 649 . 1 1 60 60 GLY HA3 H 1 4.244 0.030 . 2 . . . . 60 GLY HA3 . 10212 1 650 . 1 1 60 60 GLY C C 13 173.195 0.300 . 1 . . . . 60 GLY C . 10212 1 651 . 1 1 61 61 ARG N N 15 120.120 0.300 . 1 . . . . 61 ARG N . 10212 1 652 . 1 1 61 61 ARG H H 1 7.998 0.030 . 1 . . . . 61 ARG H . 10212 1 653 . 1 1 61 61 ARG CA C 13 57.008 0.300 . 1 . . . . 61 ARG CA . 10212 1 654 . 1 1 61 61 ARG HA H 1 4.190 0.030 . 1 . . . . 61 ARG HA . 10212 1 655 . 1 1 61 61 ARG CB C 13 30.743 0.300 . 1 . . . . 61 ARG CB . 10212 1 656 . 1 1 61 61 ARG HB2 H 1 1.736 0.030 . 2 . . . . 61 ARG HB2 . 10212 1 657 . 1 1 61 61 ARG HB3 H 1 1.675 0.030 . 2 . . . . 61 ARG HB3 . 10212 1 658 . 1 1 61 61 ARG CG C 13 27.221 0.300 . 1 . . . . 61 ARG CG . 10212 1 659 . 1 1 61 61 ARG HG2 H 1 1.510 0.030 . 2 . . . . 61 ARG HG2 . 10212 1 660 . 1 1 61 61 ARG HG3 H 1 1.557 0.030 . 2 . . . . 61 ARG HG3 . 10212 1 661 . 1 1 61 61 ARG CD C 13 43.253 0.300 . 1 . . . . 61 ARG CD . 10212 1 662 . 1 1 61 61 ARG HD2 H 1 3.176 0.030 . 2 . . . . 61 ARG HD2 . 10212 1 663 . 1 1 61 61 ARG HD3 H 1 3.124 0.030 . 2 . . . . 61 ARG HD3 . 10212 1 664 . 1 1 61 61 ARG C C 13 174.676 0.300 . 1 . . . . 61 ARG C . 10212 1 665 . 1 1 62 62 GLU N N 15 125.622 0.300 . 1 . . . . 62 GLU N . 10212 1 666 . 1 1 62 62 GLU H H 1 8.607 0.030 . 1 . . . . 62 GLU H . 10212 1 667 . 1 1 62 62 GLU CA C 13 54.238 0.300 . 1 . . . . 62 GLU CA . 10212 1 668 . 1 1 62 62 GLU HA H 1 5.542 0.030 . 1 . . . . 62 GLU HA . 10212 1 669 . 1 1 62 62 GLU CB C 13 32.736 0.300 . 1 . . . . 62 GLU CB . 10212 1 670 . 1 1 62 62 GLU HB2 H 1 1.958 0.030 . 2 . . . . 62 GLU HB2 . 10212 1 671 . 1 1 62 62 GLU HB3 H 1 1.889 0.030 . 2 . . . . 62 GLU HB3 . 10212 1 672 . 1 1 62 62 GLU CG C 13 36.662 0.300 . 1 . . . . 62 GLU CG . 10212 1 673 . 1 1 62 62 GLU HG2 H 1 1.862 0.030 . 2 . . . . 62 GLU HG2 . 10212 1 674 . 1 1 62 62 GLU HG3 H 1 2.093 0.030 . 2 . . . . 62 GLU HG3 . 10212 1 675 . 1 1 62 62 GLU C C 13 176.546 0.300 . 1 . . . . 62 GLU C . 10212 1 676 . 1 1 63 63 SER N N 15 118.180 0.300 . 1 . . . . 63 SER N . 10212 1 677 . 1 1 63 63 SER H H 1 8.954 0.030 . 1 . . . . 63 SER H . 10212 1 678 . 1 1 63 63 SER CA C 13 57.795 0.300 . 1 . . . . 63 SER CA . 10212 1 679 . 1 1 63 63 SER HA H 1 4.542 0.030 . 1 . . . . 63 SER HA . 10212 1 680 . 1 1 63 63 SER CB C 13 64.704 0.300 . 1 . . . . 63 SER CB . 10212 1 681 . 1 1 63 63 SER HB2 H 1 3.865 0.030 . 2 . . . . 63 SER HB2 . 10212 1 682 . 1 1 63 63 SER HB3 H 1 3.591 0.030 . 2 . . . . 63 SER HB3 . 10212 1 683 . 1 1 63 63 SER C C 13 173.414 0.300 . 1 . . . . 63 SER C . 10212 1 684 . 1 1 64 64 TYR N N 15 119.693 0.300 . 1 . . . . 64 TYR N . 10212 1 685 . 1 1 64 64 TYR H H 1 8.274 0.030 . 1 . . . . 64 TYR H . 10212 1 686 . 1 1 64 64 TYR CA C 13 57.909 0.300 . 1 . . . . 64 TYR CA . 10212 1 687 . 1 1 64 64 TYR HA H 1 5.960 0.030 . 1 . . . . 64 TYR HA . 10212 1 688 . 1 1 64 64 TYR CB C 13 41.172 0.300 . 1 . . . . 64 TYR CB . 10212 1 689 . 1 1 64 64 TYR HB2 H 1 2.923 0.030 . 2 . . . . 64 TYR HB2 . 10212 1 690 . 1 1 64 64 TYR HB3 H 1 3.054 0.030 . 2 . . . . 64 TYR HB3 . 10212 1 691 . 1 1 64 64 TYR CD1 C 13 132.954 0.300 . 1 . . . . 64 TYR CD1 . 10212 1 692 . 1 1 64 64 TYR HD1 H 1 7.022 0.030 . 1 . . . . 64 TYR HD1 . 10212 1 693 . 1 1 64 64 TYR CD2 C 13 132.954 0.300 . 1 . . . . 64 TYR CD2 . 10212 1 694 . 1 1 64 64 TYR HD2 H 1 7.022 0.030 . 1 . . . . 64 TYR HD2 . 10212 1 695 . 1 1 64 64 TYR CE1 C 13 118.070 0.300 . 1 . . . . 64 TYR CE1 . 10212 1 696 . 1 1 64 64 TYR HE1 H 1 6.710 0.030 . 1 . . . . 64 TYR HE1 . 10212 1 697 . 1 1 64 64 TYR CE2 C 13 118.070 0.300 . 1 . . . . 64 TYR CE2 . 10212 1 698 . 1 1 64 64 TYR HE2 H 1 6.710 0.030 . 1 . . . . 64 TYR HE2 . 10212 1 699 . 1 1 65 65 ILE N N 15 119.714 0.300 . 1 . . . . 65 ILE N . 10212 1 700 . 1 1 65 65 ILE H H 1 9.510 0.030 . 1 . . . . 65 ILE H . 10212 1 701 . 1 1 65 65 ILE CA C 13 57.697 0.300 . 1 . . . . 65 ILE CA . 10212 1 702 . 1 1 65 65 ILE HA H 1 4.751 0.030 . 1 . . . . 65 ILE HA . 10212 1 703 . 1 1 65 65 ILE CB C 13 42.647 0.300 . 1 . . . . 65 ILE CB . 10212 1 704 . 1 1 65 65 ILE HB H 1 1.840 0.030 . 1 . . . . 65 ILE HB . 10212 1 705 . 1 1 65 65 ILE CG1 C 13 28.148 0.300 . 1 . . . . 65 ILE CG1 . 10212 1 706 . 1 1 65 65 ILE HG12 H 1 1.011 0.030 . 2 . . . . 65 ILE HG12 . 10212 1 707 . 1 1 65 65 ILE HG13 H 1 1.195 0.030 . 2 . . . . 65 ILE HG13 . 10212 1 708 . 1 1 65 65 ILE CG2 C 13 15.424 0.300 . 1 . . . . 65 ILE CG2 . 10212 1 709 . 1 1 65 65 ILE HG21 H 1 0.688 0.030 . 1 . . . . 65 ILE HG2 . 10212 1 710 . 1 1 65 65 ILE HG22 H 1 0.688 0.030 . 1 . . . . 65 ILE HG2 . 10212 1 711 . 1 1 65 65 ILE HG23 H 1 0.688 0.030 . 1 . . . . 65 ILE HG2 . 10212 1 712 . 1 1 65 65 ILE CD1 C 13 14.280 0.300 . 1 . . . . 65 ILE CD1 . 10212 1 713 . 1 1 65 65 ILE HD11 H 1 0.622 0.030 . 1 . . . . 65 ILE HD1 . 10212 1 714 . 1 1 65 65 ILE HD12 H 1 0.622 0.030 . 1 . . . . 65 ILE HD1 . 10212 1 715 . 1 1 65 65 ILE HD13 H 1 0.622 0.030 . 1 . . . . 65 ILE HD1 . 10212 1 716 . 1 1 66 66 PRO CA C 13 62.773 0.300 . 1 . . . . 66 PRO CA . 10212 1 717 . 1 1 66 66 PRO HA H 1 3.790 0.030 . 1 . . . . 66 PRO HA . 10212 1 718 . 1 1 66 66 PRO CB C 13 31.969 0.300 . 1 . . . . 66 PRO CB . 10212 1 719 . 1 1 66 66 PRO HB2 H 1 1.461 0.030 . 2 . . . . 66 PRO HB2 . 10212 1 720 . 1 1 66 66 PRO HB3 H 1 1.230 0.030 . 2 . . . . 66 PRO HB3 . 10212 1 721 . 1 1 66 66 PRO CG C 13 26.944 0.300 . 1 . . . . 66 PRO CG . 10212 1 722 . 1 1 66 66 PRO HG2 H 1 1.591 0.030 . 2 . . . . 66 PRO HG2 . 10212 1 723 . 1 1 66 66 PRO HG3 H 1 0.915 0.030 . 2 . . . . 66 PRO HG3 . 10212 1 724 . 1 1 66 66 PRO CD C 13 51.304 0.300 . 1 . . . . 66 PRO CD . 10212 1 725 . 1 1 66 66 PRO HD2 H 1 2.660 0.030 . 1 . . . . 66 PRO HD2 . 10212 1 726 . 1 1 66 66 PRO HD3 H 1 2.660 0.030 . 1 . . . . 66 PRO HD3 . 10212 1 727 . 1 1 66 66 PRO C C 13 178.124 0.300 . 1 . . . . 66 PRO C . 10212 1 728 . 1 1 67 67 GLY N N 15 108.949 0.300 . 1 . . . . 67 GLY N . 10212 1 729 . 1 1 67 67 GLY H H 1 8.397 0.030 . 1 . . . . 67 GLY H . 10212 1 730 . 1 1 67 67 GLY CA C 13 47.429 0.300 . 1 . . . . 67 GLY CA . 10212 1 731 . 1 1 67 67 GLY HA2 H 1 3.932 0.030 . 2 . . . . 67 GLY HA2 . 10212 1 732 . 1 1 67 67 GLY HA3 H 1 3.759 0.030 . 2 . . . . 67 GLY HA3 . 10212 1 733 . 1 1 67 67 GLY C C 13 175.817 0.300 . 1 . . . . 67 GLY C . 10212 1 734 . 1 1 68 68 ILE N N 15 112.898 0.300 . 1 . . . . 68 ILE N . 10212 1 735 . 1 1 68 68 ILE H H 1 7.479 0.030 . 1 . . . . 68 ILE H . 10212 1 736 . 1 1 68 68 ILE CA C 13 62.473 0.300 . 1 . . . . 68 ILE CA . 10212 1 737 . 1 1 68 68 ILE HA H 1 4.264 0.030 . 1 . . . . 68 ILE HA . 10212 1 738 . 1 1 68 68 ILE CB C 13 38.498 0.300 . 1 . . . . 68 ILE CB . 10212 1 739 . 1 1 68 68 ILE HB H 1 1.923 0.030 . 1 . . . . 68 ILE HB . 10212 1 740 . 1 1 68 68 ILE CG1 C 13 27.630 0.300 . 1 . . . . 68 ILE CG1 . 10212 1 741 . 1 1 68 68 ILE HG12 H 1 1.152 0.030 . 2 . . . . 68 ILE HG12 . 10212 1 742 . 1 1 68 68 ILE HG13 H 1 1.465 0.030 . 2 . . . . 68 ILE HG13 . 10212 1 743 . 1 1 68 68 ILE CG2 C 13 18.058 0.300 . 1 . . . . 68 ILE CG2 . 10212 1 744 . 1 1 68 68 ILE HG21 H 1 0.942 0.030 . 1 . . . . 68 ILE HG2 . 10212 1 745 . 1 1 68 68 ILE HG22 H 1 0.942 0.030 . 1 . . . . 68 ILE HG2 . 10212 1 746 . 1 1 68 68 ILE HG23 H 1 0.942 0.030 . 1 . . . . 68 ILE HG2 . 10212 1 747 . 1 1 68 68 ILE CD1 C 13 14.284 0.300 . 1 . . . . 68 ILE CD1 . 10212 1 748 . 1 1 68 68 ILE HD11 H 1 0.886 0.030 . 1 . . . . 68 ILE HD1 . 10212 1 749 . 1 1 68 68 ILE HD12 H 1 0.886 0.030 . 1 . . . . 68 ILE HD1 . 10212 1 750 . 1 1 68 68 ILE HD13 H 1 0.886 0.030 . 1 . . . . 68 ILE HD1 . 10212 1 751 . 1 1 69 69 CYS N N 15 116.669 0.300 . 1 . . . . 69 CYS N . 10212 1 752 . 1 1 69 69 CYS H H 1 7.631 0.030 . 1 . . . . 69 CYS H . 10212 1 753 . 1 1 69 69 CYS CA C 13 60.252 0.300 . 1 . . . . 69 CYS CA . 10212 1 754 . 1 1 69 69 CYS HA H 1 4.437 0.030 . 1 . . . . 69 CYS HA . 10212 1 755 . 1 1 69 69 CYS CB C 13 28.520 0.300 . 1 . . . . 69 CYS CB . 10212 1 756 . 1 1 69 69 CYS HB2 H 1 3.541 0.030 . 2 . . . . 69 CYS HB2 . 10212 1 757 . 1 1 69 69 CYS HB3 H 1 2.667 0.030 . 2 . . . . 69 CYS HB3 . 10212 1 758 . 1 1 70 70 VAL N N 15 111.368 0.300 . 1 . . . . 70 VAL N . 10212 1 759 . 1 1 70 70 VAL H H 1 7.601 0.030 . 1 . . . . 70 VAL H . 10212 1 760 . 1 1 70 70 VAL CA C 13 58.697 0.300 . 1 . . . . 70 VAL CA . 10212 1 761 . 1 1 70 70 VAL HA H 1 5.377 0.030 . 1 . . . . 70 VAL HA . 10212 1 762 . 1 1 70 70 VAL CB C 13 36.676 0.300 . 1 . . . . 70 VAL CB . 10212 1 763 . 1 1 70 70 VAL HB H 1 1.710 0.030 . 1 . . . . 70 VAL HB . 10212 1 764 . 1 1 70 70 VAL CG1 C 13 23.287 0.300 . 2 . . . . 70 VAL CG1 . 10212 1 765 . 1 1 70 70 VAL HG11 H 1 0.541 0.030 . 1 . . . . 70 VAL HG1 . 10212 1 766 . 1 1 70 70 VAL HG12 H 1 0.541 0.030 . 1 . . . . 70 VAL HG1 . 10212 1 767 . 1 1 70 70 VAL HG13 H 1 0.541 0.030 . 1 . . . . 70 VAL HG1 . 10212 1 768 . 1 1 70 70 VAL CG2 C 13 19.308 0.300 . 2 . . . . 70 VAL CG2 . 10212 1 769 . 1 1 70 70 VAL HG21 H 1 0.598 0.030 . 1 . . . . 70 VAL HG2 . 10212 1 770 . 1 1 70 70 VAL HG22 H 1 0.598 0.030 . 1 . . . . 70 VAL HG2 . 10212 1 771 . 1 1 70 70 VAL HG23 H 1 0.598 0.030 . 1 . . . . 70 VAL HG2 . 10212 1 772 . 1 1 70 70 VAL C C 13 173.414 0.300 . 1 . . . . 70 VAL C . 10212 1 773 . 1 1 71 71 ALA N N 15 120.333 0.300 . 1 . . . . 71 ALA N . 10212 1 774 . 1 1 71 71 ALA H H 1 8.506 0.030 . 1 . . . . 71 ALA H . 10212 1 775 . 1 1 71 71 ALA CA C 13 50.279 0.300 . 1 . . . . 71 ALA CA . 10212 1 776 . 1 1 71 71 ALA HA H 1 4.672 0.030 . 1 . . . . 71 ALA HA . 10212 1 777 . 1 1 71 71 ALA CB C 13 22.622 0.300 . 1 . . . . 71 ALA CB . 10212 1 778 . 1 1 71 71 ALA HB1 H 1 1.331 0.030 . 1 . . . . 71 ALA HB . 10212 1 779 . 1 1 71 71 ALA HB2 H 1 1.331 0.030 . 1 . . . . 71 ALA HB . 10212 1 780 . 1 1 71 71 ALA HB3 H 1 1.331 0.030 . 1 . . . . 71 ALA HB . 10212 1 781 . 1 1 71 71 ALA C C 13 176.497 0.300 . 1 . . . . 71 ALA C . 10212 1 782 . 1 1 72 72 ARG N N 15 121.871 0.300 . 1 . . . . 72 ARG N . 10212 1 783 . 1 1 72 72 ARG H H 1 8.627 0.030 . 1 . . . . 72 ARG H . 10212 1 784 . 1 1 72 72 ARG CA C 13 56.686 0.300 . 1 . . . . 72 ARG CA . 10212 1 785 . 1 1 72 72 ARG HA H 1 4.388 0.030 . 1 . . . . 72 ARG HA . 10212 1 786 . 1 1 72 72 ARG CB C 13 30.432 0.300 . 1 . . . . 72 ARG CB . 10212 1 787 . 1 1 72 72 ARG HB2 H 1 1.821 0.030 . 2 . . . . 72 ARG HB2 . 10212 1 788 . 1 1 72 72 ARG HB3 H 1 1.573 0.030 . 2 . . . . 72 ARG HB3 . 10212 1 789 . 1 1 72 72 ARG CG C 13 27.534 0.300 . 1 . . . . 72 ARG CG . 10212 1 790 . 1 1 72 72 ARG HG2 H 1 1.418 0.030 . 2 . . . . 72 ARG HG2 . 10212 1 791 . 1 1 72 72 ARG HG3 H 1 1.590 0.030 . 2 . . . . 72 ARG HG3 . 10212 1 792 . 1 1 72 72 ARG CD C 13 43.262 0.300 . 1 . . . . 72 ARG CD . 10212 1 793 . 1 1 72 72 ARG HD2 H 1 3.141 0.030 . 2 . . . . 72 ARG HD2 . 10212 1 794 . 1 1 72 72 ARG C C 13 176.424 0.300 . 1 . . . . 72 ARG C . 10212 1 795 . 1 1 73 73 VAL N N 15 123.034 0.300 . 1 . . . . 73 VAL N . 10212 1 796 . 1 1 73 73 VAL H H 1 8.235 0.030 . 1 . . . . 73 VAL H . 10212 1 797 . 1 1 73 73 VAL CA C 13 61.251 0.300 . 1 . . . . 73 VAL CA . 10212 1 798 . 1 1 73 73 VAL HA H 1 4.292 0.030 . 1 . . . . 73 VAL HA . 10212 1 799 . 1 1 73 73 VAL CB C 13 34.070 0.300 . 1 . . . . 73 VAL CB . 10212 1 800 . 1 1 73 73 VAL HB H 1 1.855 0.030 . 1 . . . . 73 VAL HB . 10212 1 801 . 1 1 73 73 VAL CG1 C 13 21.601 0.300 . 2 . . . . 73 VAL CG1 . 10212 1 802 . 1 1 73 73 VAL HG11 H 1 0.805 0.030 . 1 . . . . 73 VAL HG1 . 10212 1 803 . 1 1 73 73 VAL HG12 H 1 0.805 0.030 . 1 . . . . 73 VAL HG1 . 10212 1 804 . 1 1 73 73 VAL HG13 H 1 0.805 0.030 . 1 . . . . 73 VAL HG1 . 10212 1 805 . 1 1 73 73 VAL CG2 C 13 20.394 0.300 . 2 . . . . 73 VAL CG2 . 10212 1 806 . 1 1 73 73 VAL HG21 H 1 0.734 0.030 . 1 . . . . 73 VAL HG2 . 10212 1 807 . 1 1 73 73 VAL HG22 H 1 0.734 0.030 . 1 . . . . 73 VAL HG2 . 10212 1 808 . 1 1 73 73 VAL HG23 H 1 0.734 0.030 . 1 . . . . 73 VAL HG2 . 10212 1 809 . 1 1 73 73 VAL C C 13 175.089 0.300 . 1 . . . . 73 VAL C . 10212 1 810 . 1 1 74 74 SER N N 15 118.602 0.300 . 1 . . . . 74 SER N . 10212 1 811 . 1 1 74 74 SER H H 1 8.328 0.030 . 1 . . . . 74 SER H . 10212 1 812 . 1 1 74 74 SER CA C 13 58.268 0.300 . 1 . . . . 74 SER CA . 10212 1 813 . 1 1 74 74 SER HA H 1 4.627 0.030 . 1 . . . . 74 SER HA . 10212 1 814 . 1 1 74 74 SER CB C 13 64.292 0.300 . 1 . . . . 74 SER CB . 10212 1 815 . 1 1 74 74 SER HB2 H 1 3.848 0.030 . 2 . . . . 74 SER HB2 . 10212 1 816 . 1 1 74 74 SER C C 13 174.725 0.300 . 1 . . . . 74 SER C . 10212 1 817 . 1 1 75 75 GLY N N 15 110.294 0.300 . 1 . . . . 75 GLY N . 10212 1 818 . 1 1 75 75 GLY H H 1 8.375 0.030 . 1 . . . . 75 GLY H . 10212 1 819 . 1 1 75 75 GLY CA C 13 44.727 0.300 . 1 . . . . 75 GLY CA . 10212 1 820 . 1 1 75 75 GLY HA2 H 1 3.917 0.030 . 2 . . . . 75 GLY HA2 . 10212 1 821 . 1 1 75 75 GLY HA3 H 1 3.834 0.030 . 2 . . . . 75 GLY HA3 . 10212 1 822 . 1 1 75 75 GLY C C 13 171.471 0.300 . 1 . . . . 75 GLY C . 10212 1 823 . 1 1 76 76 PRO CA C 13 63.259 0.300 . 1 . . . . 76 PRO CA . 10212 1 824 . 1 1 76 76 PRO HA H 1 4.374 0.030 . 1 . . . . 76 PRO HA . 10212 1 825 . 1 1 76 76 PRO CB C 13 32.056 0.300 . 1 . . . . 76 PRO CB . 10212 1 826 . 1 1 76 76 PRO HB2 H 1 2.189 0.030 . 2 . . . . 76 PRO HB2 . 10212 1 827 . 1 1 76 76 PRO HB3 H 1 1.932 0.030 . 2 . . . . 76 PRO HB3 . 10212 1 828 . 1 1 76 76 PRO CG C 13 26.987 0.300 . 1 . . . . 76 PRO CG . 10212 1 829 . 1 1 76 76 PRO HG2 H 1 1.926 0.030 . 2 . . . . 76 PRO HG2 . 10212 1 830 . 1 1 76 76 PRO CD C 13 49.665 0.300 . 1 . . . . 76 PRO CD . 10212 1 831 . 1 1 76 76 PRO HD2 H 1 3.305 0.030 . 2 . . . . 76 PRO HD2 . 10212 1 832 . 1 1 76 76 PRO HD3 H 1 3.454 0.030 . 2 . . . . 76 PRO HD3 . 10212 1 833 . 1 1 77 77 SER N N 15 116.182 0.300 . 1 . . . . 77 SER N . 10212 1 834 . 1 1 77 77 SER H H 1 8.475 0.030 . 1 . . . . 77 SER H . 10212 1 835 . 1 1 78 78 SER N N 15 117.718 0.300 . 1 . . . . 78 SER N . 10212 1 836 . 1 1 78 78 SER H H 1 8.312 0.030 . 1 . . . . 78 SER H . 10212 1 837 . 1 1 78 78 SER CA C 13 58.439 0.300 . 1 . . . . 78 SER CA . 10212 1 838 . 1 1 78 78 SER HA H 1 4.469 0.030 . 1 . . . . 78 SER HA . 10212 1 839 . 1 1 78 78 SER CB C 13 64.020 0.300 . 1 . . . . 78 SER CB . 10212 1 840 . 1 1 78 78 SER HB2 H 1 3.886 0.030 . 2 . . . . 78 SER HB2 . 10212 1 841 . 1 1 78 78 SER C C 13 173.923 0.300 . 1 . . . . 78 SER C . 10212 1 842 . 1 1 79 79 GLY N N 15 116.800 0.300 . 1 . . . . 79 GLY N . 10212 1 843 . 1 1 79 79 GLY H H 1 8.049 0.030 . 1 . . . . 79 GLY H . 10212 1 844 . 1 1 79 79 GLY CA C 13 46.204 0.300 . 1 . . . . 79 GLY CA . 10212 1 845 . 1 1 79 79 GLY HA2 H 1 3.784 0.030 . 2 . . . . 79 GLY HA2 . 10212 1 846 . 1 1 79 79 GLY HA3 H 1 3.735 0.030 . 2 . . . . 79 GLY HA3 . 10212 1 847 . 1 1 79 79 GLY C C 13 178.998 0.300 . 1 . . . . 79 GLY C . 10212 1 stop_ save_