data_11286 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11286 _Entry.Title ; Solution structure of the BSD domain of human Synapse associated protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 M. Yoneyama . . . 11286 2 N. Tochio . . . 11286 3 S. Koshiba . . . 11286 4 M. Inoue . . . 11286 5 T. Kigawa . . . 11286 6 S. Yokoyama . . . 11286 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11286 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11286 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 440 11286 '15N chemical shifts' 99 11286 '1H chemical shifts' 685 11286 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 . . 2011-08-18 2010-08-09 original author . 11286 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X3A 'BMRB Entry Tracking System' 11286 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11286 _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 BSD domain of human Synapse associated protein 1' _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 M. Yoneyama . . . 11286 1 2 N. Tochio . . . 11286 1 3 S. Koshiba . . . 11286 1 4 M. Inoue . . . 11286 1 5 T. Kigawa . . . 11286 1 6 S. Yokoyama . . . 11286 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11286 _Assembly.ID 1 _Assembly.Name 'Synapse associated protein 1' _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 'BSD domain' 1 $entity_1 A . yes native no no . . . 11286 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 yes PDB 1x3a . . . . . . 11286 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11286 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'BSD 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 ; GSSGSSGTNDEETIQQQILA LSADKRNFLRDPPAGVQFNF DFDQMYPVALVMLQEDELLS KMRFALVPKLVKEEVFWRNY FYRVSLIKQSAQLTSGPSSG ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1X3A . "Solution Structure Of The Bsd Domain Of Human Synapse Associated Protein 1" . . . . . 100.00 100 100.00 100.00 1.44e-65 . . . . 11286 1 2 no DBJ BAB55087 . "unnamed protein product [Homo sapiens]" . . . . . 88.00 352 98.86 100.00 5.96e-54 . . . . 11286 1 3 no DBJ BAD96576 . "SYAP1 protein variant [Homo sapiens]" . . . . . 88.00 352 98.86 100.00 5.47e-54 . . . . 11286 1 4 no DBJ BAG37229 . "unnamed protein product [Homo sapiens]" . . . . . 88.00 352 97.73 98.86 2.50e-53 . . . . 11286 1 5 no DBJ BAG58299 . "unnamed protein product [Homo sapiens]" . . . . . 51.00 186 98.04 100.00 5.31e-26 . . . . 11286 1 6 no DBJ BAG64741 . "unnamed protein product [Homo sapiens]" . . . . . 88.00 318 98.86 100.00 8.16e-55 . . . . 11286 1 7 no EMBL CAH18697 . "hypothetical protein [Homo sapiens]" . . . . . 88.00 352 98.86 100.00 6.02e-54 . . . . 11286 1 8 no EMBL CAH90135 . "hypothetical protein [Pongo abelii]" . . . . . 88.00 352 98.86 100.00 3.45e-54 . . . . 11286 1 9 no GB AAH14657 . "Synapse associated protein 1, SAP47 homolog (Drosophila) [Homo sapiens]" . . . . . 88.00 352 98.86 100.00 5.83e-54 . . . . 11286 1 10 no GB AAK69273 . "SYAP1 [Homo sapiens]" . . . . . 88.00 352 98.86 100.00 6.02e-54 . . . . 11286 1 11 no GB AAK81893 . "SYAP1 [Homo sapiens]" . . . . . 88.00 352 98.86 100.00 6.02e-54 . . . . 11286 1 12 no GB ACE87132 . "synapse associated protein 1, SAP47 homolog (Drosophila) protein [synthetic construct]" . . . . . 88.00 352 98.86 100.00 5.83e-54 . . . . 11286 1 13 no GB AIC57513 . "SYAP1, partial [synthetic construct]" . . . . . 88.00 352 98.86 100.00 5.83e-54 . . . . 11286 1 14 no REF NP_001125031 . "synapse-associated protein 1 [Pongo abelii]" . . . . . 88.00 352 98.86 100.00 3.45e-54 . . . . 11286 1 15 no REF NP_116185 . "synapse-associated protein 1 [Homo sapiens]" . . . . . 88.00 352 98.86 100.00 6.02e-54 . . . . 11286 1 16 no REF XP_001097183 . "PREDICTED: synapse-associated protein 1-like [Macaca mulatta]" . . . . . 51.00 186 98.04 100.00 5.31e-26 . . . . 11286 1 17 no REF XP_002762707 . "PREDICTED: synapse-associated protein 1 [Callithrix jacchus]" . . . . . 88.00 358 97.73 100.00 1.78e-53 . . . . 11286 1 18 no REF XP_003819572 . "PREDICTED: synapse-associated protein 1 [Pan paniscus]" . . . . . 88.00 352 98.86 100.00 5.24e-54 . . . . 11286 1 19 no SP Q96A49 . "RecName: Full=Synapse-associated protein 1" . . . . . 88.00 352 98.86 100.00 6.02e-54 . . . . 11286 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'BSD domain' . 11286 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 . 11286 1 2 . SER . 11286 1 3 . SER . 11286 1 4 . GLY . 11286 1 5 . SER . 11286 1 6 . SER . 11286 1 7 . GLY . 11286 1 8 . THR . 11286 1 9 . ASN . 11286 1 10 . ASP . 11286 1 11 . GLU . 11286 1 12 . GLU . 11286 1 13 . THR . 11286 1 14 . ILE . 11286 1 15 . GLN . 11286 1 16 . GLN . 11286 1 17 . GLN . 11286 1 18 . ILE . 11286 1 19 . LEU . 11286 1 20 . ALA . 11286 1 21 . LEU . 11286 1 22 . SER . 11286 1 23 . ALA . 11286 1 24 . ASP . 11286 1 25 . LYS . 11286 1 26 . ARG . 11286 1 27 . ASN . 11286 1 28 . PHE . 11286 1 29 . LEU . 11286 1 30 . ARG . 11286 1 31 . ASP . 11286 1 32 . PRO . 11286 1 33 . PRO . 11286 1 34 . ALA . 11286 1 35 . GLY . 11286 1 36 . VAL . 11286 1 37 . GLN . 11286 1 38 . PHE . 11286 1 39 . ASN . 11286 1 40 . PHE . 11286 1 41 . ASP . 11286 1 42 . PHE . 11286 1 43 . ASP . 11286 1 44 . GLN . 11286 1 45 . MET . 11286 1 46 . TYR . 11286 1 47 . PRO . 11286 1 48 . VAL . 11286 1 49 . ALA . 11286 1 50 . LEU . 11286 1 51 . VAL . 11286 1 52 . MET . 11286 1 53 . LEU . 11286 1 54 . GLN . 11286 1 55 . GLU . 11286 1 56 . ASP . 11286 1 57 . GLU . 11286 1 58 . LEU . 11286 1 59 . LEU . 11286 1 60 . SER . 11286 1 61 . LYS . 11286 1 62 . MET . 11286 1 63 . ARG . 11286 1 64 . PHE . 11286 1 65 . ALA . 11286 1 66 . LEU . 11286 1 67 . VAL . 11286 1 68 . PRO . 11286 1 69 . LYS . 11286 1 70 . LEU . 11286 1 71 . VAL . 11286 1 72 . LYS . 11286 1 73 . GLU . 11286 1 74 . GLU . 11286 1 75 . VAL . 11286 1 76 . PHE . 11286 1 77 . TRP . 11286 1 78 . ARG . 11286 1 79 . ASN . 11286 1 80 . TYR . 11286 1 81 . PHE . 11286 1 82 . TYR . 11286 1 83 . ARG . 11286 1 84 . VAL . 11286 1 85 . SER . 11286 1 86 . LEU . 11286 1 87 . ILE . 11286 1 88 . LYS . 11286 1 89 . GLN . 11286 1 90 . SER . 11286 1 91 . ALA . 11286 1 92 . GLN . 11286 1 93 . LEU . 11286 1 94 . THR . 11286 1 95 . SER . 11286 1 96 . GLY . 11286 1 97 . PRO . 11286 1 98 . SER . 11286 1 99 . SER . 11286 1 100 . GLY . 11286 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 11286 1 . SER 2 2 11286 1 . SER 3 3 11286 1 . GLY 4 4 11286 1 . SER 5 5 11286 1 . SER 6 6 11286 1 . GLY 7 7 11286 1 . THR 8 8 11286 1 . ASN 9 9 11286 1 . ASP 10 10 11286 1 . GLU 11 11 11286 1 . GLU 12 12 11286 1 . THR 13 13 11286 1 . ILE 14 14 11286 1 . GLN 15 15 11286 1 . GLN 16 16 11286 1 . GLN 17 17 11286 1 . ILE 18 18 11286 1 . LEU 19 19 11286 1 . ALA 20 20 11286 1 . LEU 21 21 11286 1 . SER 22 22 11286 1 . ALA 23 23 11286 1 . ASP 24 24 11286 1 . LYS 25 25 11286 1 . ARG 26 26 11286 1 . ASN 27 27 11286 1 . PHE 28 28 11286 1 . LEU 29 29 11286 1 . ARG 30 30 11286 1 . ASP 31 31 11286 1 . PRO 32 32 11286 1 . PRO 33 33 11286 1 . ALA 34 34 11286 1 . GLY 35 35 11286 1 . VAL 36 36 11286 1 . GLN 37 37 11286 1 . PHE 38 38 11286 1 . ASN 39 39 11286 1 . PHE 40 40 11286 1 . ASP 41 41 11286 1 . PHE 42 42 11286 1 . ASP 43 43 11286 1 . GLN 44 44 11286 1 . MET 45 45 11286 1 . TYR 46 46 11286 1 . PRO 47 47 11286 1 . VAL 48 48 11286 1 . ALA 49 49 11286 1 . LEU 50 50 11286 1 . VAL 51 51 11286 1 . MET 52 52 11286 1 . LEU 53 53 11286 1 . GLN 54 54 11286 1 . GLU 55 55 11286 1 . ASP 56 56 11286 1 . GLU 57 57 11286 1 . LEU 58 58 11286 1 . LEU 59 59 11286 1 . SER 60 60 11286 1 . LYS 61 61 11286 1 . MET 62 62 11286 1 . ARG 63 63 11286 1 . PHE 64 64 11286 1 . ALA 65 65 11286 1 . LEU 66 66 11286 1 . VAL 67 67 11286 1 . PRO 68 68 11286 1 . LYS 69 69 11286 1 . LEU 70 70 11286 1 . VAL 71 71 11286 1 . LYS 72 72 11286 1 . GLU 73 73 11286 1 . GLU 74 74 11286 1 . VAL 75 75 11286 1 . PHE 76 76 11286 1 . TRP 77 77 11286 1 . ARG 78 78 11286 1 . ASN 79 79 11286 1 . TYR 80 80 11286 1 . PHE 81 81 11286 1 . TYR 82 82 11286 1 . ARG 83 83 11286 1 . VAL 84 84 11286 1 . SER 85 85 11286 1 . LEU 86 86 11286 1 . ILE 87 87 11286 1 . LYS 88 88 11286 1 . GLN 89 89 11286 1 . SER 90 90 11286 1 . ALA 91 91 11286 1 . GLN 92 92 11286 1 . LEU 93 93 11286 1 . THR 94 94 11286 1 . SER 95 95 11286 1 . GLY 96 96 11286 1 . PRO 97 97 11286 1 . SER 98 98 11286 1 . SER 99 99 11286 1 . GLY 100 100 11286 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 11286 _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 . . . . . . . . . . . . . . . . . . . . . 11286 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 11286 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P040531-07 . . . . . . 11286 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11286 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.03mM BSD domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 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 'BSD domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.03 . . mM . . . . 11286 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11286 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11286 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11286 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11286 1 6 H2O . . . . . . solvent 90 . . % . . . . 11286 1 7 D2O . . . . . . solvent 10 . . % . . . . 11286 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 11286 _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 11286 1 pH 7.0 0.05 pH 11286 1 pressure 1 0.001 atm 11286 1 temperature 296 0.1 K 11286 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11286 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11286 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11286 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11286 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11286 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11286 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11286 _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.' . . 11286 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11286 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11286 _Software.ID 4 _Software.Name Kujira _Software.Version 0.921 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11286 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11286 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11286 _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.' . . 11286 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11286 5 'structure solution' 11286 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 11286 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11286 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11286 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 11286 _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 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11286 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11286 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 11286 _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 . . . . . . . . . 11286 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11286 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11286 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 11286 _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 11286 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11286 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11286 1 2 $NMRPipe . . 11286 1 3 $NMRview . . 11286 1 4 $Kujira . . 11286 1 5 $CYANA . . 11286 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 2 2 SER C C 13 174.712 0.300 . 1 . . . . 2 SER C . 11286 1 2 . 1 1 2 2 SER CA C 13 58.372 0.300 . 1 . . . . 2 SER CA . 11286 1 3 . 1 1 2 2 SER CB C 13 63.767 0.300 . 1 . . . . 2 SER CB . 11286 1 4 . 1 1 3 3 SER H H 1 8.346 0.030 . 1 . . . . 3 SER H . 11286 1 5 . 1 1 3 3 SER C C 13 173.962 0.300 . 1 . . . . 3 SER C . 11286 1 6 . 1 1 3 3 SER CA C 13 58.383 0.300 . 1 . . . . 3 SER CA . 11286 1 7 . 1 1 3 3 SER CB C 13 64.105 0.300 . 1 . . . . 3 SER CB . 11286 1 8 . 1 1 3 3 SER N N 15 117.890 0.300 . 1 . . . . 3 SER N . 11286 1 9 . 1 1 4 4 GLY H H 1 8.054 0.030 . 1 . . . . 4 GLY H . 11286 1 10 . 1 1 4 4 GLY C C 13 179.025 0.300 . 1 . . . . 4 GLY C . 11286 1 11 . 1 1 4 4 GLY CA C 13 46.351 0.300 . 1 . . . . 4 GLY CA . 11286 1 12 . 1 1 4 4 GLY N N 15 116.882 0.300 . 1 . . . . 4 GLY N . 11286 1 13 . 1 1 6 6 SER HA H 1 4.516 0.030 . 1 . . . . 6 SER HA . 11286 1 14 . 1 1 6 6 SER HB2 H 1 3.928 0.030 . 1 . . . . 6 SER HB2 . 11286 1 15 . 1 1 6 6 SER HB3 H 1 3.928 0.030 . 1 . . . . 6 SER HB3 . 11286 1 16 . 1 1 6 6 SER C C 13 175.037 0.300 . 1 . . . . 6 SER C . 11286 1 17 . 1 1 6 6 SER CA C 13 58.650 0.300 . 1 . . . . 6 SER CA . 11286 1 18 . 1 1 6 6 SER CB C 13 63.834 0.300 . 1 . . . . 6 SER CB . 11286 1 19 . 1 1 7 7 GLY H H 1 8.476 0.030 . 1 . . . . 7 GLY H . 11286 1 20 . 1 1 7 7 GLY HA2 H 1 4.037 0.030 . 1 . . . . 7 GLY HA2 . 11286 1 21 . 1 1 7 7 GLY HA3 H 1 4.037 0.030 . 1 . . . . 7 GLY HA3 . 11286 1 22 . 1 1 7 7 GLY C C 13 174.342 0.300 . 1 . . . . 7 GLY C . 11286 1 23 . 1 1 7 7 GLY CA C 13 45.423 0.300 . 1 . . . . 7 GLY CA . 11286 1 24 . 1 1 7 7 GLY N N 15 110.945 0.300 . 1 . . . . 7 GLY N . 11286 1 25 . 1 1 8 8 THR H H 1 8.095 0.030 . 1 . . . . 8 THR H . 11286 1 26 . 1 1 8 8 THR HA H 1 4.399 0.030 . 1 . . . . 8 THR HA . 11286 1 27 . 1 1 8 8 THR HB H 1 4.236 0.030 . 1 . . . . 8 THR HB . 11286 1 28 . 1 1 8 8 THR HG21 H 1 1.178 0.030 . 1 . . . . 8 THR HG2 . 11286 1 29 . 1 1 8 8 THR HG22 H 1 1.178 0.030 . 1 . . . . 8 THR HG2 . 11286 1 30 . 1 1 8 8 THR HG23 H 1 1.178 0.030 . 1 . . . . 8 THR HG2 . 11286 1 31 . 1 1 8 8 THR C C 13 174.458 0.300 . 1 . . . . 8 THR C . 11286 1 32 . 1 1 8 8 THR CA C 13 61.716 0.300 . 1 . . . . 8 THR CA . 11286 1 33 . 1 1 8 8 THR CB C 13 69.960 0.300 . 1 . . . . 8 THR CB . 11286 1 34 . 1 1 8 8 THR CG2 C 13 21.637 0.300 . 1 . . . . 8 THR CG2 . 11286 1 35 . 1 1 8 8 THR N N 15 113.290 0.300 . 1 . . . . 8 THR N . 11286 1 36 . 1 1 9 9 ASN H H 1 8.561 0.030 . 1 . . . . 9 ASN H . 11286 1 37 . 1 1 9 9 ASN HA H 1 4.779 0.030 . 1 . . . . 9 ASN HA . 11286 1 38 . 1 1 9 9 ASN HB2 H 1 2.839 0.030 . 2 . . . . 9 ASN HB2 . 11286 1 39 . 1 1 9 9 ASN HB3 H 1 2.775 0.030 . 2 . . . . 9 ASN HB3 . 11286 1 40 . 1 1 9 9 ASN HD21 H 1 7.616 0.030 . 2 . . . . 9 ASN HD21 . 11286 1 41 . 1 1 9 9 ASN HD22 H 1 6.934 0.030 . 2 . . . . 9 ASN HD22 . 11286 1 42 . 1 1 9 9 ASN C C 13 175.113 0.300 . 1 . . . . 9 ASN C . 11286 1 43 . 1 1 9 9 ASN CA C 13 53.302 0.300 . 1 . . . . 9 ASN CA . 11286 1 44 . 1 1 9 9 ASN CB C 13 38.964 0.300 . 1 . . . . 9 ASN CB . 11286 1 45 . 1 1 9 9 ASN N N 15 120.990 0.300 . 1 . . . . 9 ASN N . 11286 1 46 . 1 1 9 9 ASN ND2 N 15 112.969 0.300 . 1 . . . . 9 ASN ND2 . 11286 1 47 . 1 1 10 10 ASP H H 1 8.384 0.030 . 1 . . . . 10 ASP H . 11286 1 48 . 1 1 10 10 ASP HA H 1 4.565 0.030 . 1 . . . . 10 ASP HA . 11286 1 49 . 1 1 10 10 ASP HB2 H 1 2.716 0.030 . 2 . . . . 10 ASP HB2 . 11286 1 50 . 1 1 10 10 ASP HB3 H 1 2.669 0.030 . 2 . . . . 10 ASP HB3 . 11286 1 51 . 1 1 10 10 ASP C C 13 176.512 0.300 . 1 . . . . 10 ASP C . 11286 1 52 . 1 1 10 10 ASP CA C 13 54.959 0.300 . 1 . . . . 10 ASP CA . 11286 1 53 . 1 1 10 10 ASP CB C 13 41.096 0.300 . 1 . . . . 10 ASP CB . 11286 1 54 . 1 1 10 10 ASP N N 15 121.134 0.300 . 1 . . . . 10 ASP N . 11286 1 55 . 1 1 11 11 GLU H H 1 8.423 0.030 . 1 . . . . 11 GLU H . 11286 1 56 . 1 1 11 11 GLU HA H 1 4.121 0.030 . 1 . . . . 11 GLU HA . 11286 1 57 . 1 1 11 11 GLU HB2 H 1 2.042 0.030 . 1 . . . . 11 GLU HB2 . 11286 1 58 . 1 1 11 11 GLU HB3 H 1 2.042 0.030 . 1 . . . . 11 GLU HB3 . 11286 1 59 . 1 1 11 11 GLU HG2 H 1 2.299 0.030 . 1 . . . . 11 GLU HG2 . 11286 1 60 . 1 1 11 11 GLU HG3 H 1 2.299 0.030 . 1 . . . . 11 GLU HG3 . 11286 1 61 . 1 1 11 11 GLU C C 13 177.827 0.300 . 1 . . . . 11 GLU C . 11286 1 62 . 1 1 11 11 GLU CA C 13 58.277 0.300 . 1 . . . . 11 GLU CA . 11286 1 63 . 1 1 11 11 GLU CB C 13 29.880 0.300 . 1 . . . . 11 GLU CB . 11286 1 64 . 1 1 11 11 GLU CG C 13 36.530 0.300 . 1 . . . . 11 GLU CG . 11286 1 65 . 1 1 11 11 GLU N N 15 120.450 0.300 . 1 . . . . 11 GLU N . 11286 1 66 . 1 1 12 12 GLU H H 1 8.401 0.030 . 1 . . . . 12 GLU H . 11286 1 67 . 1 1 12 12 GLU HA H 1 4.251 0.030 . 1 . . . . 12 GLU HA . 11286 1 68 . 1 1 12 12 GLU HB2 H 1 2.053 0.030 . 1 . . . . 12 GLU HB2 . 11286 1 69 . 1 1 12 12 GLU HB3 H 1 2.053 0.030 . 1 . . . . 12 GLU HB3 . 11286 1 70 . 1 1 12 12 GLU HG2 H 1 2.322 0.030 . 2 . . . . 12 GLU HG2 . 11286 1 71 . 1 1 12 12 GLU HG3 H 1 2.248 0.030 . 2 . . . . 12 GLU HG3 . 11286 1 72 . 1 1 12 12 GLU C C 13 178.191 0.300 . 1 . . . . 12 GLU C . 11286 1 73 . 1 1 12 12 GLU CA C 13 58.234 0.300 . 1 . . . . 12 GLU CA . 11286 1 74 . 1 1 12 12 GLU CB C 13 29.972 0.300 . 1 . . . . 12 GLU CB . 11286 1 75 . 1 1 12 12 GLU CG C 13 36.593 0.300 . 1 . . . . 12 GLU CG . 11286 1 76 . 1 1 12 12 GLU N N 15 121.137 0.300 . 1 . . . . 12 GLU N . 11286 1 77 . 1 1 13 13 THR H H 1 8.171 0.030 . 1 . . . . 13 THR H . 11286 1 78 . 1 1 13 13 THR HA H 1 4.146 0.030 . 1 . . . . 13 THR HA . 11286 1 79 . 1 1 13 13 THR HB H 1 4.409 0.030 . 1 . . . . 13 THR HB . 11286 1 80 . 1 1 13 13 THR HG21 H 1 1.264 0.030 . 1 . . . . 13 THR HG2 . 11286 1 81 . 1 1 13 13 THR HG22 H 1 1.264 0.030 . 1 . . . . 13 THR HG2 . 11286 1 82 . 1 1 13 13 THR HG23 H 1 1.264 0.030 . 1 . . . . 13 THR HG2 . 11286 1 83 . 1 1 13 13 THR C C 13 176.409 0.300 . 1 . . . . 13 THR C . 11286 1 84 . 1 1 13 13 THR CA C 13 64.268 0.300 . 1 . . . . 13 THR CA . 11286 1 85 . 1 1 13 13 THR CB C 13 69.483 0.300 . 1 . . . . 13 THR CB . 11286 1 86 . 1 1 13 13 THR CG2 C 13 21.794 0.300 . 1 . . . . 13 THR CG2 . 11286 1 87 . 1 1 13 13 THR N N 15 115.434 0.300 . 1 . . . . 13 THR N . 11286 1 88 . 1 1 14 14 ILE H H 1 8.097 0.030 . 1 . . . . 14 ILE H . 11286 1 89 . 1 1 14 14 ILE HA H 1 3.647 0.030 . 1 . . . . 14 ILE HA . 11286 1 90 . 1 1 14 14 ILE HB H 1 1.934 0.030 . 1 . . . . 14 ILE HB . 11286 1 91 . 1 1 14 14 ILE HD11 H 1 0.809 0.030 . 1 . . . . 14 ILE HD1 . 11286 1 92 . 1 1 14 14 ILE HD12 H 1 0.809 0.030 . 1 . . . . 14 ILE HD1 . 11286 1 93 . 1 1 14 14 ILE HD13 H 1 0.809 0.030 . 1 . . . . 14 ILE HD1 . 11286 1 94 . 1 1 14 14 ILE HG12 H 1 1.586 0.030 . 2 . . . . 14 ILE HG12 . 11286 1 95 . 1 1 14 14 ILE HG13 H 1 1.169 0.030 . 2 . . . . 14 ILE HG13 . 11286 1 96 . 1 1 14 14 ILE HG21 H 1 0.858 0.030 . 1 . . . . 14 ILE HG2 . 11286 1 97 . 1 1 14 14 ILE HG22 H 1 0.858 0.030 . 1 . . . . 14 ILE HG2 . 11286 1 98 . 1 1 14 14 ILE HG23 H 1 0.858 0.030 . 1 . . . . 14 ILE HG2 . 11286 1 99 . 1 1 14 14 ILE C C 13 177.638 0.300 . 1 . . . . 14 ILE C . 11286 1 100 . 1 1 14 14 ILE CA C 13 64.507 0.300 . 1 . . . . 14 ILE CA . 11286 1 101 . 1 1 14 14 ILE CB C 13 37.439 0.300 . 1 . . . . 14 ILE CB . 11286 1 102 . 1 1 14 14 ILE CD1 C 13 12.710 0.300 . 1 . . . . 14 ILE CD1 . 11286 1 103 . 1 1 14 14 ILE CG1 C 13 28.723 0.300 . 1 . . . . 14 ILE CG1 . 11286 1 104 . 1 1 14 14 ILE CG2 C 13 17.488 0.300 . 1 . . . . 14 ILE CG2 . 11286 1 105 . 1 1 14 14 ILE N N 15 122.228 0.300 . 1 . . . . 14 ILE N . 11286 1 106 . 1 1 15 15 GLN H H 1 8.156 0.030 . 1 . . . . 15 GLN H . 11286 1 107 . 1 1 15 15 GLN HA H 1 4.035 0.030 . 1 . . . . 15 GLN HA . 11286 1 108 . 1 1 15 15 GLN HB2 H 1 2.170 0.030 . 2 . . . . 15 GLN HB2 . 11286 1 109 . 1 1 15 15 GLN HB3 H 1 2.091 0.030 . 2 . . . . 15 GLN HB3 . 11286 1 110 . 1 1 15 15 GLN HE21 H 1 7.389 0.030 . 2 . . . . 15 GLN HE21 . 11286 1 111 . 1 1 15 15 GLN HE22 H 1 6.908 0.030 . 2 . . . . 15 GLN HE22 . 11286 1 112 . 1 1 15 15 GLN HG2 H 1 2.472 0.030 . 2 . . . . 15 GLN HG2 . 11286 1 113 . 1 1 15 15 GLN HG3 H 1 2.452 0.030 . 2 . . . . 15 GLN HG3 . 11286 1 114 . 1 1 15 15 GLN C C 13 178.736 0.300 . 1 . . . . 15 GLN C . 11286 1 115 . 1 1 15 15 GLN CA C 13 59.146 0.300 . 1 . . . . 15 GLN CA . 11286 1 116 . 1 1 15 15 GLN CB C 13 27.902 0.300 . 1 . . . . 15 GLN CB . 11286 1 117 . 1 1 15 15 GLN CG C 13 33.431 0.300 . 1 . . . . 15 GLN CG . 11286 1 118 . 1 1 15 15 GLN N N 15 118.568 0.300 . 1 . . . . 15 GLN N . 11286 1 119 . 1 1 15 15 GLN NE2 N 15 111.177 0.300 . 1 . . . . 15 GLN NE2 . 11286 1 120 . 1 1 16 16 GLN H H 1 8.082 0.030 . 1 . . . . 16 GLN H . 11286 1 121 . 1 1 16 16 GLN HA H 1 3.975 0.030 . 1 . . . . 16 GLN HA . 11286 1 122 . 1 1 16 16 GLN HB2 H 1 2.262 0.030 . 2 . . . . 16 GLN HB2 . 11286 1 123 . 1 1 16 16 GLN HB3 H 1 2.138 0.030 . 2 . . . . 16 GLN HB3 . 11286 1 124 . 1 1 16 16 GLN HE21 H 1 7.545 0.030 . 2 . . . . 16 GLN HE21 . 11286 1 125 . 1 1 16 16 GLN HE22 H 1 6.860 0.030 . 2 . . . . 16 GLN HE22 . 11286 1 126 . 1 1 16 16 GLN HG2 H 1 2.528 0.030 . 2 . . . . 16 GLN HG2 . 11286 1 127 . 1 1 16 16 GLN HG3 H 1 2.480 0.030 . 2 . . . . 16 GLN HG3 . 11286 1 128 . 1 1 16 16 GLN C C 13 179.347 0.300 . 1 . . . . 16 GLN C . 11286 1 129 . 1 1 16 16 GLN CA C 13 59.096 0.300 . 1 . . . . 16 GLN CA . 11286 1 130 . 1 1 16 16 GLN CB C 13 28.336 0.300 . 1 . . . . 16 GLN CB . 11286 1 131 . 1 1 16 16 GLN CG C 13 34.088 0.300 . 1 . . . . 16 GLN CG . 11286 1 132 . 1 1 16 16 GLN N N 15 117.826 0.300 . 1 . . . . 16 GLN N . 11286 1 133 . 1 1 16 16 GLN NE2 N 15 112.220 0.300 . 1 . . . . 16 GLN NE2 . 11286 1 134 . 1 1 17 17 GLN H H 1 8.073 0.030 . 1 . . . . 17 GLN H . 11286 1 135 . 1 1 17 17 GLN HA H 1 4.003 0.030 . 1 . . . . 17 GLN HA . 11286 1 136 . 1 1 17 17 GLN HB2 H 1 2.262 0.030 . 2 . . . . 17 GLN HB2 . 11286 1 137 . 1 1 17 17 GLN HB3 H 1 1.992 0.030 . 2 . . . . 17 GLN HB3 . 11286 1 138 . 1 1 17 17 GLN HE21 H 1 6.977 0.030 . 2 . . . . 17 GLN HE21 . 11286 1 139 . 1 1 17 17 GLN HE22 H 1 6.804 0.030 . 2 . . . . 17 GLN HE22 . 11286 1 140 . 1 1 17 17 GLN HG2 H 1 2.602 0.030 . 2 . . . . 17 GLN HG2 . 11286 1 141 . 1 1 17 17 GLN HG3 H 1 2.262 0.030 . 2 . . . . 17 GLN HG3 . 11286 1 142 . 1 1 17 17 GLN C C 13 179.112 0.300 . 1 . . . . 17 GLN C . 11286 1 143 . 1 1 17 17 GLN CA C 13 59.196 0.300 . 1 . . . . 17 GLN CA . 11286 1 144 . 1 1 17 17 GLN CB C 13 29.664 0.300 . 1 . . . . 17 GLN CB . 11286 1 145 . 1 1 17 17 GLN CG C 13 35.001 0.300 . 1 . . . . 17 GLN CG . 11286 1 146 . 1 1 17 17 GLN N N 15 119.656 0.300 . 1 . . . . 17 GLN N . 11286 1 147 . 1 1 17 17 GLN NE2 N 15 110.685 0.300 . 1 . . . . 17 GLN NE2 . 11286 1 148 . 1 1 18 18 ILE H H 1 8.267 0.030 . 1 . . . . 18 ILE H . 11286 1 149 . 1 1 18 18 ILE HA H 1 3.526 0.030 . 1 . . . . 18 ILE HA . 11286 1 150 . 1 1 18 18 ILE HB H 1 1.967 0.030 . 1 . . . . 18 ILE HB . 11286 1 151 . 1 1 18 18 ILE HD11 H 1 0.807 0.030 . 1 . . . . 18 ILE HD1 . 11286 1 152 . 1 1 18 18 ILE HD12 H 1 0.807 0.030 . 1 . . . . 18 ILE HD1 . 11286 1 153 . 1 1 18 18 ILE HD13 H 1 0.807 0.030 . 1 . . . . 18 ILE HD1 . 11286 1 154 . 1 1 18 18 ILE HG12 H 1 1.948 0.030 . 2 . . . . 18 ILE HG12 . 11286 1 155 . 1 1 18 18 ILE HG13 H 1 0.808 0.030 . 2 . . . . 18 ILE HG13 . 11286 1 156 . 1 1 18 18 ILE HG21 H 1 0.915 0.030 . 1 . . . . 18 ILE HG2 . 11286 1 157 . 1 1 18 18 ILE HG22 H 1 0.915 0.030 . 1 . . . . 18 ILE HG2 . 11286 1 158 . 1 1 18 18 ILE HG23 H 1 0.915 0.030 . 1 . . . . 18 ILE HG2 . 11286 1 159 . 1 1 18 18 ILE C C 13 180.063 0.300 . 1 . . . . 18 ILE C . 11286 1 160 . 1 1 18 18 ILE CA C 13 65.455 0.300 . 1 . . . . 18 ILE CA . 11286 1 161 . 1 1 18 18 ILE CB C 13 38.107 0.300 . 1 . . . . 18 ILE CB . 11286 1 162 . 1 1 18 18 ILE CD1 C 13 14.403 0.300 . 1 . . . . 18 ILE CD1 . 11286 1 163 . 1 1 18 18 ILE CG1 C 13 30.119 0.300 . 1 . . . . 18 ILE CG1 . 11286 1 164 . 1 1 18 18 ILE CG2 C 13 17.003 0.300 . 1 . . . . 18 ILE CG2 . 11286 1 165 . 1 1 18 18 ILE N N 15 121.061 0.300 . 1 . . . . 18 ILE N . 11286 1 166 . 1 1 19 19 LEU H H 1 8.430 0.030 . 1 . . . . 19 LEU H . 11286 1 167 . 1 1 19 19 LEU HA H 1 4.149 0.030 . 1 . . . . 19 LEU HA . 11286 1 168 . 1 1 19 19 LEU HB2 H 1 1.874 0.030 . 2 . . . . 19 LEU HB2 . 11286 1 169 . 1 1 19 19 LEU HB3 H 1 1.614 0.030 . 2 . . . . 19 LEU HB3 . 11286 1 170 . 1 1 19 19 LEU HD11 H 1 0.962 0.030 . 1 . . . . 19 LEU HD1 . 11286 1 171 . 1 1 19 19 LEU HD12 H 1 0.962 0.030 . 1 . . . . 19 LEU HD1 . 11286 1 172 . 1 1 19 19 LEU HD13 H 1 0.962 0.030 . 1 . . . . 19 LEU HD1 . 11286 1 173 . 1 1 19 19 LEU HD21 H 1 0.982 0.030 . 1 . . . . 19 LEU HD2 . 11286 1 174 . 1 1 19 19 LEU HD22 H 1 0.982 0.030 . 1 . . . . 19 LEU HD2 . 11286 1 175 . 1 1 19 19 LEU HD23 H 1 0.982 0.030 . 1 . . . . 19 LEU HD2 . 11286 1 176 . 1 1 19 19 LEU HG H 1 1.850 0.030 . 1 . . . . 19 LEU HG . 11286 1 177 . 1 1 19 19 LEU C C 13 179.412 0.300 . 1 . . . . 19 LEU C . 11286 1 178 . 1 1 19 19 LEU CA C 13 58.227 0.300 . 1 . . . . 19 LEU CA . 11286 1 179 . 1 1 19 19 LEU CB C 13 41.728 0.300 . 1 . . . . 19 LEU CB . 11286 1 180 . 1 1 19 19 LEU CD1 C 13 25.355 0.300 . 2 . . . . 19 LEU CD1 . 11286 1 181 . 1 1 19 19 LEU CD2 C 13 22.761 0.300 . 2 . . . . 19 LEU CD2 . 11286 1 182 . 1 1 19 19 LEU CG C 13 27.220 0.300 . 1 . . . . 19 LEU CG . 11286 1 183 . 1 1 19 19 LEU N N 15 122.601 0.300 . 1 . . . . 19 LEU N . 11286 1 184 . 1 1 20 20 ALA H H 1 7.590 0.030 . 1 . . . . 20 ALA H . 11286 1 185 . 1 1 20 20 ALA HA H 1 4.215 0.030 . 1 . . . . 20 ALA HA . 11286 1 186 . 1 1 20 20 ALA HB1 H 1 1.493 0.030 . 1 . . . . 20 ALA HB . 11286 1 187 . 1 1 20 20 ALA HB2 H 1 1.493 0.030 . 1 . . . . 20 ALA HB . 11286 1 188 . 1 1 20 20 ALA HB3 H 1 1.493 0.030 . 1 . . . . 20 ALA HB . 11286 1 189 . 1 1 20 20 ALA C C 13 180.105 0.300 . 1 . . . . 20 ALA C . 11286 1 190 . 1 1 20 20 ALA CA C 13 53.857 0.300 . 1 . . . . 20 ALA CA . 11286 1 191 . 1 1 20 20 ALA CB C 13 18.274 0.300 . 1 . . . . 20 ALA CB . 11286 1 192 . 1 1 20 20 ALA N N 15 118.380 0.300 . 1 . . . . 20 ALA N . 11286 1 193 . 1 1 21 21 LEU H H 1 7.751 0.030 . 1 . . . . 21 LEU H . 11286 1 194 . 1 1 21 21 LEU HA H 1 4.049 0.030 . 1 . . . . 21 LEU HA . 11286 1 195 . 1 1 21 21 LEU HB2 H 1 2.347 0.030 . 2 . . . . 21 LEU HB2 . 11286 1 196 . 1 1 21 21 LEU HB3 H 1 1.025 0.030 . 2 . . . . 21 LEU HB3 . 11286 1 197 . 1 1 21 21 LEU HD11 H 1 0.497 0.030 . 1 . . . . 21 LEU HD1 . 11286 1 198 . 1 1 21 21 LEU HD12 H 1 0.497 0.030 . 1 . . . . 21 LEU HD1 . 11286 1 199 . 1 1 21 21 LEU HD13 H 1 0.497 0.030 . 1 . . . . 21 LEU HD1 . 11286 1 200 . 1 1 21 21 LEU HD21 H 1 0.631 0.030 . 1 . . . . 21 LEU HD2 . 11286 1 201 . 1 1 21 21 LEU HD22 H 1 0.631 0.030 . 1 . . . . 21 LEU HD2 . 11286 1 202 . 1 1 21 21 LEU HD23 H 1 0.631 0.030 . 1 . . . . 21 LEU HD2 . 11286 1 203 . 1 1 21 21 LEU HG H 1 2.077 0.030 . 1 . . . . 21 LEU HG . 11286 1 204 . 1 1 21 21 LEU C C 13 180.162 0.300 . 1 . . . . 21 LEU C . 11286 1 205 . 1 1 21 21 LEU CA C 13 57.022 0.300 . 1 . . . . 21 LEU CA . 11286 1 206 . 1 1 21 21 LEU CB C 13 42.986 0.300 . 1 . . . . 21 LEU CB . 11286 1 207 . 1 1 21 21 LEU CD1 C 13 27.322 0.300 . 2 . . . . 21 LEU CD1 . 11286 1 208 . 1 1 21 21 LEU CD2 C 13 23.255 0.300 . 2 . . . . 21 LEU CD2 . 11286 1 209 . 1 1 21 21 LEU CG C 13 26.200 0.300 . 1 . . . . 21 LEU CG . 11286 1 210 . 1 1 21 21 LEU N N 15 117.987 0.300 . 1 . . . . 21 LEU N . 11286 1 211 . 1 1 22 22 SER H H 1 7.434 0.030 . 1 . . . . 22 SER H . 11286 1 212 . 1 1 22 22 SER HA H 1 4.348 0.030 . 1 . . . . 22 SER HA . 11286 1 213 . 1 1 22 22 SER HB2 H 1 3.970 0.030 . 2 . . . . 22 SER HB2 . 11286 1 214 . 1 1 22 22 SER HB3 H 1 3.778 0.030 . 2 . . . . 22 SER HB3 . 11286 1 215 . 1 1 22 22 SER C C 13 172.222 0.300 . 1 . . . . 22 SER C . 11286 1 216 . 1 1 22 22 SER CA C 13 60.485 0.300 . 1 . . . . 22 SER CA . 11286 1 217 . 1 1 22 22 SER CB C 13 62.655 0.300 . 1 . . . . 22 SER CB . 11286 1 218 . 1 1 22 22 SER N N 15 109.715 0.300 . 1 . . . . 22 SER N . 11286 1 219 . 1 1 23 23 ALA H H 1 7.286 0.030 . 1 . . . . 23 ALA H . 11286 1 220 . 1 1 23 23 ALA HA H 1 4.292 0.030 . 1 . . . . 23 ALA HA . 11286 1 221 . 1 1 23 23 ALA HB1 H 1 1.468 0.030 . 1 . . . . 23 ALA HB . 11286 1 222 . 1 1 23 23 ALA HB2 H 1 1.468 0.030 . 1 . . . . 23 ALA HB . 11286 1 223 . 1 1 23 23 ALA HB3 H 1 1.468 0.030 . 1 . . . . 23 ALA HB . 11286 1 224 . 1 1 23 23 ALA C C 13 177.159 0.300 . 1 . . . . 23 ALA C . 11286 1 225 . 1 1 23 23 ALA CA C 13 52.520 0.300 . 1 . . . . 23 ALA CA . 11286 1 226 . 1 1 23 23 ALA CB C 13 19.397 0.300 . 1 . . . . 23 ALA CB . 11286 1 227 . 1 1 23 23 ALA N N 15 118.092 0.300 . 1 . . . . 23 ALA N . 11286 1 228 . 1 1 24 24 ASP H H 1 7.224 0.030 . 1 . . . . 24 ASP H . 11286 1 229 . 1 1 24 24 ASP HA H 1 5.008 0.030 . 1 . . . . 24 ASP HA . 11286 1 230 . 1 1 24 24 ASP HB2 H 1 2.989 0.030 . 2 . . . . 24 ASP HB2 . 11286 1 231 . 1 1 24 24 ASP HB3 H 1 2.447 0.030 . 2 . . . . 24 ASP HB3 . 11286 1 232 . 1 1 24 24 ASP C C 13 176.432 0.300 . 1 . . . . 24 ASP C . 11286 1 233 . 1 1 24 24 ASP CA C 13 52.555 0.300 . 1 . . . . 24 ASP CA . 11286 1 234 . 1 1 24 24 ASP CB C 13 43.269 0.300 . 1 . . . . 24 ASP CB . 11286 1 235 . 1 1 24 24 ASP N N 15 116.145 0.300 . 1 . . . . 24 ASP N . 11286 1 236 . 1 1 25 25 LYS H H 1 9.097 0.030 . 1 . . . . 25 LYS H . 11286 1 237 . 1 1 25 25 LYS HA H 1 4.462 0.030 . 1 . . . . 25 LYS HA . 11286 1 238 . 1 1 25 25 LYS HB2 H 1 1.971 0.030 . 2 . . . . 25 LYS HB2 . 11286 1 239 . 1 1 25 25 LYS HB3 H 1 1.898 0.030 . 2 . . . . 25 LYS HB3 . 11286 1 240 . 1 1 25 25 LYS HD2 H 1 1.648 0.030 . 1 . . . . 25 LYS HD2 . 11286 1 241 . 1 1 25 25 LYS HD3 H 1 1.648 0.030 . 1 . . . . 25 LYS HD3 . 11286 1 242 . 1 1 25 25 LYS HE2 H 1 2.951 0.030 . 1 . . . . 25 LYS HE2 . 11286 1 243 . 1 1 25 25 LYS HE3 H 1 2.951 0.030 . 1 . . . . 25 LYS HE3 . 11286 1 244 . 1 1 25 25 LYS HG2 H 1 1.679 0.030 . 2 . . . . 25 LYS HG2 . 11286 1 245 . 1 1 25 25 LYS HG3 H 1 1.384 0.030 . 2 . . . . 25 LYS HG3 . 11286 1 246 . 1 1 25 25 LYS C C 13 177.828 0.300 . 1 . . . . 25 LYS C . 11286 1 247 . 1 1 25 25 LYS CA C 13 58.938 0.300 . 1 . . . . 25 LYS CA . 11286 1 248 . 1 1 25 25 LYS CB C 13 32.758 0.300 . 1 . . . . 25 LYS CB . 11286 1 249 . 1 1 25 25 LYS CD C 13 29.692 0.300 . 1 . . . . 25 LYS CD . 11286 1 250 . 1 1 25 25 LYS CE C 13 41.940 0.300 . 1 . . . . 25 LYS CE . 11286 1 251 . 1 1 25 25 LYS CG C 13 24.135 0.300 . 1 . . . . 25 LYS CG . 11286 1 252 . 1 1 25 25 LYS N N 15 126.068 0.300 . 1 . . . . 25 LYS N . 11286 1 253 . 1 1 26 26 ARG H H 1 8.793 0.030 . 1 . . . . 26 ARG H . 11286 1 254 . 1 1 26 26 ARG HA H 1 3.884 0.030 . 1 . . . . 26 ARG HA . 11286 1 255 . 1 1 26 26 ARG HB2 H 1 1.810 0.030 . 2 . . . . 26 ARG HB2 . 11286 1 256 . 1 1 26 26 ARG HB3 H 1 1.671 0.030 . 2 . . . . 26 ARG HB3 . 11286 1 257 . 1 1 26 26 ARG HD2 H 1 3.274 0.030 . 2 . . . . 26 ARG HD2 . 11286 1 258 . 1 1 26 26 ARG HD3 H 1 3.103 0.030 . 2 . . . . 26 ARG HD3 . 11286 1 259 . 1 1 26 26 ARG HG2 H 1 1.691 0.030 . 1 . . . . 26 ARG HG2 . 11286 1 260 . 1 1 26 26 ARG HG3 H 1 1.691 0.030 . 1 . . . . 26 ARG HG3 . 11286 1 261 . 1 1 26 26 ARG C C 13 177.710 0.300 . 1 . . . . 26 ARG C . 11286 1 262 . 1 1 26 26 ARG CA C 13 59.513 0.300 . 1 . . . . 26 ARG CA . 11286 1 263 . 1 1 26 26 ARG CB C 13 29.767 0.300 . 1 . . . . 26 ARG CB . 11286 1 264 . 1 1 26 26 ARG CD C 13 43.474 0.300 . 1 . . . . 26 ARG CD . 11286 1 265 . 1 1 26 26 ARG CG C 13 27.137 0.300 . 1 . . . . 26 ARG CG . 11286 1 266 . 1 1 26 26 ARG N N 15 120.140 0.300 . 1 . . . . 26 ARG N . 11286 1 267 . 1 1 27 27 ASN H H 1 7.542 0.030 . 1 . . . . 27 ASN H . 11286 1 268 . 1 1 27 27 ASN HA H 1 4.182 0.030 . 1 . . . . 27 ASN HA . 11286 1 269 . 1 1 27 27 ASN HB2 H 1 2.396 0.030 . 2 . . . . 27 ASN HB2 . 11286 1 270 . 1 1 27 27 ASN HB3 H 1 1.866 0.030 . 2 . . . . 27 ASN HB3 . 11286 1 271 . 1 1 27 27 ASN HD21 H 1 8.770 0.030 . 2 . . . . 27 ASN HD21 . 11286 1 272 . 1 1 27 27 ASN HD22 H 1 7.736 0.030 . 2 . . . . 27 ASN HD22 . 11286 1 273 . 1 1 27 27 ASN C C 13 172.740 0.300 . 1 . . . . 27 ASN C . 11286 1 274 . 1 1 27 27 ASN CA C 13 55.163 0.300 . 1 . . . . 27 ASN CA . 11286 1 275 . 1 1 27 27 ASN CB C 13 38.182 0.300 . 1 . . . . 27 ASN CB . 11286 1 276 . 1 1 27 27 ASN N N 15 113.045 0.300 . 1 . . . . 27 ASN N . 11286 1 277 . 1 1 27 27 ASN ND2 N 15 120.898 0.300 . 1 . . . . 27 ASN ND2 . 11286 1 278 . 1 1 28 28 PHE H H 1 7.224 0.030 . 1 . . . . 28 PHE H . 11286 1 279 . 1 1 28 28 PHE HA H 1 4.049 0.030 . 1 . . . . 28 PHE HA . 11286 1 280 . 1 1 28 28 PHE HB2 H 1 2.554 0.030 . 2 . . . . 28 PHE HB2 . 11286 1 281 . 1 1 28 28 PHE HB3 H 1 2.522 0.030 . 2 . . . . 28 PHE HB3 . 11286 1 282 . 1 1 28 28 PHE HD1 H 1 6.119 0.030 . 1 . . . . 28 PHE HD1 . 11286 1 283 . 1 1 28 28 PHE HD2 H 1 6.119 0.030 . 1 . . . . 28 PHE HD2 . 11286 1 284 . 1 1 28 28 PHE HE1 H 1 6.582 0.030 . 1 . . . . 28 PHE HE1 . 11286 1 285 . 1 1 28 28 PHE HE2 H 1 6.582 0.030 . 1 . . . . 28 PHE HE2 . 11286 1 286 . 1 1 28 28 PHE HZ H 1 6.762 0.030 . 1 . . . . 28 PHE HZ . 11286 1 287 . 1 1 28 28 PHE C C 13 176.336 0.300 . 1 . . . . 28 PHE C . 11286 1 288 . 1 1 28 28 PHE CA C 13 57.838 0.300 . 1 . . . . 28 PHE CA . 11286 1 289 . 1 1 28 28 PHE CB C 13 41.127 0.300 . 1 . . . . 28 PHE CB . 11286 1 290 . 1 1 28 28 PHE CD1 C 13 132.073 0.300 . 1 . . . . 28 PHE CD1 . 11286 1 291 . 1 1 28 28 PHE CD2 C 13 132.073 0.300 . 1 . . . . 28 PHE CD2 . 11286 1 292 . 1 1 28 28 PHE CE1 C 13 131.938 0.300 . 1 . . . . 28 PHE CE1 . 11286 1 293 . 1 1 28 28 PHE CE2 C 13 131.938 0.300 . 1 . . . . 28 PHE CE2 . 11286 1 294 . 1 1 28 28 PHE CZ C 13 128.063 0.300 . 1 . . . . 28 PHE CZ . 11286 1 295 . 1 1 28 28 PHE N N 15 113.598 0.300 . 1 . . . . 28 PHE N . 11286 1 296 . 1 1 29 29 LEU H H 1 7.297 0.030 . 1 . . . . 29 LEU H . 11286 1 297 . 1 1 29 29 LEU HA H 1 4.247 0.030 . 1 . . . . 29 LEU HA . 11286 1 298 . 1 1 29 29 LEU HB2 H 1 1.585 0.030 . 1 . . . . 29 LEU HB2 . 11286 1 299 . 1 1 29 29 LEU HB3 H 1 1.585 0.030 . 1 . . . . 29 LEU HB3 . 11286 1 300 . 1 1 29 29 LEU HD11 H 1 0.843 0.030 . 1 . . . . 29 LEU HD1 . 11286 1 301 . 1 1 29 29 LEU HD12 H 1 0.843 0.030 . 1 . . . . 29 LEU HD1 . 11286 1 302 . 1 1 29 29 LEU HD13 H 1 0.843 0.030 . 1 . . . . 29 LEU HD1 . 11286 1 303 . 1 1 29 29 LEU HD21 H 1 0.835 0.030 . 1 . . . . 29 LEU HD2 . 11286 1 304 . 1 1 29 29 LEU HD22 H 1 0.835 0.030 . 1 . . . . 29 LEU HD2 . 11286 1 305 . 1 1 29 29 LEU HD23 H 1 0.835 0.030 . 1 . . . . 29 LEU HD2 . 11286 1 306 . 1 1 29 29 LEU HG H 1 1.795 0.030 . 1 . . . . 29 LEU HG . 11286 1 307 . 1 1 29 29 LEU C C 13 177.739 0.300 . 1 . . . . 29 LEU C . 11286 1 308 . 1 1 29 29 LEU CA C 13 55.220 0.300 . 1 . . . . 29 LEU CA . 11286 1 309 . 1 1 29 29 LEU CB C 13 43.767 0.300 . 1 . . . . 29 LEU CB . 11286 1 310 . 1 1 29 29 LEU CD1 C 13 25.433 0.300 . 2 . . . . 29 LEU CD1 . 11286 1 311 . 1 1 29 29 LEU CD2 C 13 23.520 0.300 . 2 . . . . 29 LEU CD2 . 11286 1 312 . 1 1 29 29 LEU CG C 13 26.451 0.300 . 1 . . . . 29 LEU CG . 11286 1 313 . 1 1 29 29 LEU N N 15 114.809 0.300 . 1 . . . . 29 LEU N . 11286 1 314 . 1 1 30 30 ARG H H 1 7.243 0.030 . 1 . . . . 30 ARG H . 11286 1 315 . 1 1 30 30 ARG HA H 1 4.387 0.030 . 1 . . . . 30 ARG HA . 11286 1 316 . 1 1 30 30 ARG HB2 H 1 1.780 0.030 . 2 . . . . 30 ARG HB2 . 11286 1 317 . 1 1 30 30 ARG HB3 H 1 1.700 0.030 . 2 . . . . 30 ARG HB3 . 11286 1 318 . 1 1 30 30 ARG HD2 H 1 3.113 0.030 . 1 . . . . 30 ARG HD2 . 11286 1 319 . 1 1 30 30 ARG HD3 H 1 3.113 0.030 . 1 . . . . 30 ARG HD3 . 11286 1 320 . 1 1 30 30 ARG HG2 H 1 1.711 0.030 . 2 . . . . 30 ARG HG2 . 11286 1 321 . 1 1 30 30 ARG HG3 H 1 1.583 0.030 . 2 . . . . 30 ARG HG3 . 11286 1 322 . 1 1 30 30 ARG C C 13 174.691 0.300 . 1 . . . . 30 ARG C . 11286 1 323 . 1 1 30 30 ARG CA C 13 55.148 0.300 . 1 . . . . 30 ARG CA . 11286 1 324 . 1 1 30 30 ARG CB C 13 30.263 0.300 . 1 . . . . 30 ARG CB . 11286 1 325 . 1 1 30 30 ARG CD C 13 43.486 0.300 . 1 . . . . 30 ARG CD . 11286 1 326 . 1 1 30 30 ARG CG C 13 26.952 0.300 . 1 . . . . 30 ARG CG . 11286 1 327 . 1 1 30 30 ARG N N 15 118.480 0.300 . 1 . . . . 30 ARG N . 11286 1 328 . 1 1 31 31 ASP H H 1 8.306 0.030 . 1 . . . . 31 ASP H . 11286 1 329 . 1 1 31 31 ASP HA H 1 4.856 0.030 . 1 . . . . 31 ASP HA . 11286 1 330 . 1 1 31 31 ASP HB2 H 1 2.644 0.030 . 2 . . . . 31 ASP HB2 . 11286 1 331 . 1 1 31 31 ASP HB3 H 1 2.261 0.030 . 2 . . . . 31 ASP HB3 . 11286 1 332 . 1 1 31 31 ASP C C 13 174.055 0.300 . 1 . . . . 31 ASP C . 11286 1 333 . 1 1 31 31 ASP CA C 13 53.082 0.300 . 1 . . . . 31 ASP CA . 11286 1 334 . 1 1 31 31 ASP CB C 13 38.996 0.300 . 1 . . . . 31 ASP CB . 11286 1 335 . 1 1 31 31 ASP N N 15 127.184 0.300 . 1 . . . . 31 ASP N . 11286 1 336 . 1 1 32 32 PRO HA H 1 3.975 0.030 . 1 . . . . 32 PRO HA . 11286 1 337 . 1 1 32 32 PRO HB2 H 1 1.243 0.030 . 2 . . . . 32 PRO HB2 . 11286 1 338 . 1 1 32 32 PRO HB3 H 1 0.692 0.030 . 2 . . . . 32 PRO HB3 . 11286 1 339 . 1 1 32 32 PRO HD2 H 1 3.979 0.030 . 2 . . . . 32 PRO HD2 . 11286 1 340 . 1 1 32 32 PRO HD3 H 1 3.204 0.030 . 2 . . . . 32 PRO HD3 . 11286 1 341 . 1 1 32 32 PRO HG2 H 1 1.585 0.030 . 2 . . . . 32 PRO HG2 . 11286 1 342 . 1 1 32 32 PRO HG3 H 1 1.009 0.030 . 2 . . . . 32 PRO HG3 . 11286 1 343 . 1 1 32 32 PRO CA C 13 61.566 0.300 . 1 . . . . 32 PRO CA . 11286 1 344 . 1 1 32 32 PRO CB C 13 28.904 0.300 . 1 . . . . 32 PRO CB . 11286 1 345 . 1 1 32 32 PRO CD C 13 49.616 0.300 . 1 . . . . 32 PRO CD . 11286 1 346 . 1 1 32 32 PRO CG C 13 27.830 0.300 . 1 . . . . 32 PRO CG . 11286 1 347 . 1 1 33 33 PRO HA H 1 4.245 0.030 . 1 . . . . 33 PRO HA . 11286 1 348 . 1 1 33 33 PRO HB2 H 1 2.283 0.030 . 2 . . . . 33 PRO HB2 . 11286 1 349 . 1 1 33 33 PRO HB3 H 1 1.829 0.030 . 2 . . . . 33 PRO HB3 . 11286 1 350 . 1 1 33 33 PRO HD2 H 1 3.636 0.030 . 2 . . . . 33 PRO HD2 . 11286 1 351 . 1 1 33 33 PRO HD3 H 1 3.144 0.030 . 2 . . . . 33 PRO HD3 . 11286 1 352 . 1 1 33 33 PRO HG2 H 1 1.995 0.030 . 1 . . . . 33 PRO HG2 . 11286 1 353 . 1 1 33 33 PRO HG3 H 1 1.995 0.030 . 1 . . . . 33 PRO HG3 . 11286 1 354 . 1 1 33 33 PRO C C 13 175.979 0.300 . 1 . . . . 33 PRO C . 11286 1 355 . 1 1 33 33 PRO CA C 13 62.518 0.300 . 1 . . . . 33 PRO CA . 11286 1 356 . 1 1 33 33 PRO CB C 13 32.089 0.300 . 1 . . . . 33 PRO CB . 11286 1 357 . 1 1 33 33 PRO CD C 13 50.701 0.300 . 1 . . . . 33 PRO CD . 11286 1 358 . 1 1 33 33 PRO CG C 13 27.483 0.300 . 1 . . . . 33 PRO CG . 11286 1 359 . 1 1 34 34 ALA H H 1 8.326 0.030 . 1 . . . . 34 ALA H . 11286 1 360 . 1 1 34 34 ALA HA H 1 4.080 0.030 . 1 . . . . 34 ALA HA . 11286 1 361 . 1 1 34 34 ALA HB1 H 1 1.350 0.030 . 1 . . . . 34 ALA HB . 11286 1 362 . 1 1 34 34 ALA HB2 H 1 1.350 0.030 . 1 . . . . 34 ALA HB . 11286 1 363 . 1 1 34 34 ALA HB3 H 1 1.350 0.030 . 1 . . . . 34 ALA HB . 11286 1 364 . 1 1 34 34 ALA C C 13 179.276 0.300 . 1 . . . . 34 ALA C . 11286 1 365 . 1 1 34 34 ALA CA C 13 53.700 0.300 . 1 . . . . 34 ALA CA . 11286 1 366 . 1 1 34 34 ALA CB C 13 18.195 0.300 . 1 . . . . 34 ALA CB . 11286 1 367 . 1 1 34 34 ALA N N 15 123.757 0.300 . 1 . . . . 34 ALA N . 11286 1 368 . 1 1 35 35 GLY H H 1 8.663 0.030 . 1 . . . . 35 GLY H . 11286 1 369 . 1 1 35 35 GLY HA2 H 1 4.109 0.030 . 2 . . . . 35 GLY HA2 . 11286 1 370 . 1 1 35 35 GLY HA3 H 1 3.707 0.030 . 2 . . . . 35 GLY HA3 . 11286 1 371 . 1 1 35 35 GLY C C 13 174.627 0.300 . 1 . . . . 35 GLY C . 11286 1 372 . 1 1 35 35 GLY CA C 13 45.330 0.300 . 1 . . . . 35 GLY CA . 11286 1 373 . 1 1 35 35 GLY N N 15 109.082 0.300 . 1 . . . . 35 GLY N . 11286 1 374 . 1 1 36 36 VAL H H 1 7.442 0.030 . 1 . . . . 36 VAL H . 11286 1 375 . 1 1 36 36 VAL HA H 1 4.072 0.030 . 1 . . . . 36 VAL HA . 11286 1 376 . 1 1 36 36 VAL HB H 1 2.053 0.030 . 1 . . . . 36 VAL HB . 11286 1 377 . 1 1 36 36 VAL HG11 H 1 0.878 0.030 . 1 . . . . 36 VAL HG1 . 11286 1 378 . 1 1 36 36 VAL HG12 H 1 0.878 0.030 . 1 . . . . 36 VAL HG1 . 11286 1 379 . 1 1 36 36 VAL HG13 H 1 0.878 0.030 . 1 . . . . 36 VAL HG1 . 11286 1 380 . 1 1 36 36 VAL HG21 H 1 0.871 0.030 . 1 . . . . 36 VAL HG2 . 11286 1 381 . 1 1 36 36 VAL HG22 H 1 0.871 0.030 . 1 . . . . 36 VAL HG2 . 11286 1 382 . 1 1 36 36 VAL HG23 H 1 0.871 0.030 . 1 . . . . 36 VAL HG2 . 11286 1 383 . 1 1 36 36 VAL C C 13 175.597 0.300 . 1 . . . . 36 VAL C . 11286 1 384 . 1 1 36 36 VAL CA C 13 62.251 0.300 . 1 . . . . 36 VAL CA . 11286 1 385 . 1 1 36 36 VAL CB C 13 32.336 0.300 . 1 . . . . 36 VAL CB . 11286 1 386 . 1 1 36 36 VAL CG1 C 13 21.502 0.300 . 2 . . . . 36 VAL CG1 . 11286 1 387 . 1 1 36 36 VAL CG2 C 13 21.155 0.300 . 2 . . . . 36 VAL CG2 . 11286 1 388 . 1 1 36 36 VAL N N 15 119.362 0.300 . 1 . . . . 36 VAL N . 11286 1 389 . 1 1 37 37 GLN H H 1 8.735 0.030 . 1 . . . . 37 GLN H . 11286 1 390 . 1 1 37 37 GLN HA H 1 4.414 0.030 . 1 . . . . 37 GLN HA . 11286 1 391 . 1 1 37 37 GLN HB2 H 1 2.051 0.030 . 2 . . . . 37 GLN HB2 . 11286 1 392 . 1 1 37 37 GLN HB3 H 1 1.996 0.030 . 2 . . . . 37 GLN HB3 . 11286 1 393 . 1 1 37 37 GLN HG2 H 1 2.295 0.030 . 2 . . . . 37 GLN HG2 . 11286 1 394 . 1 1 37 37 GLN HG3 H 1 2.271 0.030 . 2 . . . . 37 GLN HG3 . 11286 1 395 . 1 1 37 37 GLN C C 13 174.602 0.300 . 1 . . . . 37 GLN C . 11286 1 396 . 1 1 37 37 GLN CA C 13 54.915 0.300 . 1 . . . . 37 GLN CA . 11286 1 397 . 1 1 37 37 GLN CB C 13 28.602 0.300 . 1 . . . . 37 GLN CB . 11286 1 398 . 1 1 37 37 GLN CG C 13 33.695 0.300 . 1 . . . . 37 GLN CG . 11286 1 399 . 1 1 37 37 GLN N N 15 126.748 0.300 . 1 . . . . 37 GLN N . 11286 1 400 . 1 1 38 38 PHE H H 1 8.655 0.030 . 1 . . . . 38 PHE H . 11286 1 401 . 1 1 38 38 PHE HA H 1 4.889 0.030 . 1 . . . . 38 PHE HA . 11286 1 402 . 1 1 38 38 PHE HB2 H 1 2.995 0.030 . 2 . . . . 38 PHE HB2 . 11286 1 403 . 1 1 38 38 PHE HB3 H 1 2.770 0.030 . 2 . . . . 38 PHE HB3 . 11286 1 404 . 1 1 38 38 PHE HD1 H 1 7.315 0.030 . 1 . . . . 38 PHE HD1 . 11286 1 405 . 1 1 38 38 PHE HD2 H 1 7.315 0.030 . 1 . . . . 38 PHE HD2 . 11286 1 406 . 1 1 38 38 PHE HE1 H 1 7.498 0.030 . 1 . . . . 38 PHE HE1 . 11286 1 407 . 1 1 38 38 PHE HE2 H 1 7.498 0.030 . 1 . . . . 38 PHE HE2 . 11286 1 408 . 1 1 38 38 PHE HZ H 1 7.277 0.030 . 1 . . . . 38 PHE HZ . 11286 1 409 . 1 1 38 38 PHE C C 13 173.568 0.300 . 1 . . . . 38 PHE C . 11286 1 410 . 1 1 38 38 PHE CA C 13 56.913 0.300 . 1 . . . . 38 PHE CA . 11286 1 411 . 1 1 38 38 PHE CB C 13 40.073 0.300 . 1 . . . . 38 PHE CB . 11286 1 412 . 1 1 38 38 PHE CD1 C 13 131.875 0.300 . 1 . . . . 38 PHE CD1 . 11286 1 413 . 1 1 38 38 PHE CD2 C 13 131.875 0.300 . 1 . . . . 38 PHE CD2 . 11286 1 414 . 1 1 38 38 PHE CE1 C 13 131.960 0.300 . 1 . . . . 38 PHE CE1 . 11286 1 415 . 1 1 38 38 PHE CE2 C 13 131.960 0.300 . 1 . . . . 38 PHE CE2 . 11286 1 416 . 1 1 38 38 PHE CZ C 13 129.541 0.300 . 1 . . . . 38 PHE CZ . 11286 1 417 . 1 1 38 38 PHE N N 15 126.219 0.300 . 1 . . . . 38 PHE N . 11286 1 418 . 1 1 39 39 ASN H H 1 8.581 0.030 . 1 . . . . 39 ASN H . 11286 1 419 . 1 1 39 39 ASN HA H 1 4.571 0.030 . 1 . . . . 39 ASN HA . 11286 1 420 . 1 1 39 39 ASN HB2 H 1 2.613 0.030 . 2 . . . . 39 ASN HB2 . 11286 1 421 . 1 1 39 39 ASN HB3 H 1 2.559 0.030 . 2 . . . . 39 ASN HB3 . 11286 1 422 . 1 1 39 39 ASN HD21 H 1 7.548 0.030 . 2 . . . . 39 ASN HD21 . 11286 1 423 . 1 1 39 39 ASN HD22 H 1 6.908 0.030 . 2 . . . . 39 ASN HD22 . 11286 1 424 . 1 1 39 39 ASN C C 13 173.043 0.300 . 1 . . . . 39 ASN C . 11286 1 425 . 1 1 39 39 ASN CA C 13 53.097 0.300 . 1 . . . . 39 ASN CA . 11286 1 426 . 1 1 39 39 ASN CB C 13 38.476 0.300 . 1 . . . . 39 ASN CB . 11286 1 427 . 1 1 39 39 ASN N N 15 128.161 0.300 . 1 . . . . 39 ASN N . 11286 1 428 . 1 1 39 39 ASN ND2 N 15 113.294 0.300 . 1 . . . . 39 ASN ND2 . 11286 1 429 . 1 1 40 40 PHE H H 1 8.334 0.030 . 1 . . . . 40 PHE H . 11286 1 430 . 1 1 40 40 PHE HA H 1 4.308 0.030 . 1 . . . . 40 PHE HA . 11286 1 431 . 1 1 40 40 PHE HB2 H 1 2.857 0.030 . 2 . . . . 40 PHE HB2 . 11286 1 432 . 1 1 40 40 PHE HB3 H 1 2.807 0.030 . 2 . . . . 40 PHE HB3 . 11286 1 433 . 1 1 40 40 PHE HD1 H 1 7.498 0.030 . 1 . . . . 40 PHE HD1 . 11286 1 434 . 1 1 40 40 PHE HD2 H 1 7.498 0.030 . 1 . . . . 40 PHE HD2 . 11286 1 435 . 1 1 40 40 PHE HE1 H 1 7.473 0.030 . 1 . . . . 40 PHE HE1 . 11286 1 436 . 1 1 40 40 PHE HE2 H 1 7.473 0.030 . 1 . . . . 40 PHE HE2 . 11286 1 437 . 1 1 40 40 PHE HZ H 1 7.458 0.030 . 1 . . . . 40 PHE HZ . 11286 1 438 . 1 1 40 40 PHE C C 13 172.381 0.300 . 1 . . . . 40 PHE C . 11286 1 439 . 1 1 40 40 PHE CA C 13 57.526 0.300 . 1 . . . . 40 PHE CA . 11286 1 440 . 1 1 40 40 PHE CB C 13 41.813 0.300 . 1 . . . . 40 PHE CB . 11286 1 441 . 1 1 40 40 PHE CD1 C 13 132.366 0.300 . 1 . . . . 40 PHE CD1 . 11286 1 442 . 1 1 40 40 PHE CD2 C 13 132.366 0.300 . 1 . . . . 40 PHE CD2 . 11286 1 443 . 1 1 40 40 PHE CE1 C 13 131.711 0.300 . 1 . . . . 40 PHE CE1 . 11286 1 444 . 1 1 40 40 PHE CE2 C 13 131.711 0.300 . 1 . . . . 40 PHE CE2 . 11286 1 445 . 1 1 40 40 PHE CZ C 13 128.609 0.300 . 1 . . . . 40 PHE CZ . 11286 1 446 . 1 1 40 40 PHE N N 15 124.706 0.300 . 1 . . . . 40 PHE N . 11286 1 447 . 1 1 41 41 ASP H H 1 7.953 0.030 . 1 . . . . 41 ASP H . 11286 1 448 . 1 1 41 41 ASP HA H 1 4.613 0.030 . 1 . . . . 41 ASP HA . 11286 1 449 . 1 1 41 41 ASP HB2 H 1 2.636 0.030 . 2 . . . . 41 ASP HB2 . 11286 1 450 . 1 1 41 41 ASP HB3 H 1 2.226 0.030 . 2 . . . . 41 ASP HB3 . 11286 1 451 . 1 1 41 41 ASP C C 13 174.913 0.300 . 1 . . . . 41 ASP C . 11286 1 452 . 1 1 41 41 ASP CA C 13 51.732 0.300 . 1 . . . . 41 ASP CA . 11286 1 453 . 1 1 41 41 ASP CB C 13 41.482 0.300 . 1 . . . . 41 ASP CB . 11286 1 454 . 1 1 41 41 ASP N N 15 129.445 0.300 . 1 . . . . 41 ASP N . 11286 1 455 . 1 1 42 42 PHE H H 1 8.839 0.030 . 1 . . . . 42 PHE H . 11286 1 456 . 1 1 42 42 PHE HA H 1 3.650 0.030 . 1 . . . . 42 PHE HA . 11286 1 457 . 1 1 42 42 PHE HB2 H 1 3.368 0.030 . 2 . . . . 42 PHE HB2 . 11286 1 458 . 1 1 42 42 PHE HB3 H 1 3.020 0.030 . 2 . . . . 42 PHE HB3 . 11286 1 459 . 1 1 42 42 PHE HD1 H 1 7.422 0.030 . 1 . . . . 42 PHE HD1 . 11286 1 460 . 1 1 42 42 PHE HD2 H 1 7.422 0.030 . 1 . . . . 42 PHE HD2 . 11286 1 461 . 1 1 42 42 PHE HE1 H 1 7.292 0.030 . 1 . . . . 42 PHE HE1 . 11286 1 462 . 1 1 42 42 PHE HE2 H 1 7.292 0.030 . 1 . . . . 42 PHE HE2 . 11286 1 463 . 1 1 42 42 PHE HZ H 1 6.906 0.030 . 1 . . . . 42 PHE HZ . 11286 1 464 . 1 1 42 42 PHE C C 13 176.186 0.300 . 1 . . . . 42 PHE C . 11286 1 465 . 1 1 42 42 PHE CA C 13 61.122 0.300 . 1 . . . . 42 PHE CA . 11286 1 466 . 1 1 42 42 PHE CB C 13 39.241 0.300 . 1 . . . . 42 PHE CB . 11286 1 467 . 1 1 42 42 PHE CD1 C 13 131.724 0.300 . 1 . . . . 42 PHE CD1 . 11286 1 468 . 1 1 42 42 PHE CD2 C 13 131.724 0.300 . 1 . . . . 42 PHE CD2 . 11286 1 469 . 1 1 42 42 PHE CE1 C 13 131.098 0.300 . 1 . . . . 42 PHE CE1 . 11286 1 470 . 1 1 42 42 PHE CE2 C 13 131.098 0.300 . 1 . . . . 42 PHE CE2 . 11286 1 471 . 1 1 42 42 PHE CZ C 13 129.890 0.300 . 1 . . . . 42 PHE CZ . 11286 1 472 . 1 1 42 42 PHE N N 15 126.061 0.300 . 1 . . . . 42 PHE N . 11286 1 473 . 1 1 43 43 ASP H H 1 8.115 0.030 . 1 . . . . 43 ASP H . 11286 1 474 . 1 1 43 43 ASP HA H 1 4.117 0.030 . 1 . . . . 43 ASP HA . 11286 1 475 . 1 1 43 43 ASP HB2 H 1 2.673 0.030 . 2 . . . . 43 ASP HB2 . 11286 1 476 . 1 1 43 43 ASP HB3 H 1 2.544 0.030 . 2 . . . . 43 ASP HB3 . 11286 1 477 . 1 1 43 43 ASP C C 13 178.671 0.300 . 1 . . . . 43 ASP C . 11286 1 478 . 1 1 43 43 ASP CA C 13 57.337 0.300 . 1 . . . . 43 ASP CA . 11286 1 479 . 1 1 43 43 ASP CB C 13 40.323 0.300 . 1 . . . . 43 ASP CB . 11286 1 480 . 1 1 43 43 ASP N N 15 116.559 0.300 . 1 . . . . 43 ASP N . 11286 1 481 . 1 1 44 44 GLN H H 1 7.377 0.030 . 1 . . . . 44 GLN H . 11286 1 482 . 1 1 44 44 GLN HA H 1 3.972 0.030 . 1 . . . . 44 GLN HA . 11286 1 483 . 1 1 44 44 GLN HB2 H 1 1.974 0.030 . 2 . . . . 44 GLN HB2 . 11286 1 484 . 1 1 44 44 GLN HB3 H 1 1.778 0.030 . 2 . . . . 44 GLN HB3 . 11286 1 485 . 1 1 44 44 GLN HE21 H 1 7.476 0.030 . 2 . . . . 44 GLN HE21 . 11286 1 486 . 1 1 44 44 GLN HE22 H 1 6.693 0.030 . 2 . . . . 44 GLN HE22 . 11286 1 487 . 1 1 44 44 GLN HG2 H 1 2.312 0.030 . 2 . . . . 44 GLN HG2 . 11286 1 488 . 1 1 44 44 GLN HG3 H 1 2.132 0.030 . 2 . . . . 44 GLN HG3 . 11286 1 489 . 1 1 44 44 GLN C C 13 177.792 0.300 . 1 . . . . 44 GLN C . 11286 1 490 . 1 1 44 44 GLN CA C 13 57.426 0.300 . 1 . . . . 44 GLN CA . 11286 1 491 . 1 1 44 44 GLN CB C 13 29.230 0.300 . 1 . . . . 44 GLN CB . 11286 1 492 . 1 1 44 44 GLN CG C 13 33.964 0.300 . 1 . . . . 44 GLN CG . 11286 1 493 . 1 1 44 44 GLN N N 15 116.591 0.300 . 1 . . . . 44 GLN N . 11286 1 494 . 1 1 44 44 GLN NE2 N 15 112.299 0.300 . 1 . . . . 44 GLN NE2 . 11286 1 495 . 1 1 45 45 MET H H 1 7.552 0.030 . 1 . . . . 45 MET H . 11286 1 496 . 1 1 45 45 MET HA H 1 4.529 0.030 . 1 . . . . 45 MET HA . 11286 1 497 . 1 1 45 45 MET HB2 H 1 1.538 0.030 . 2 . . . . 45 MET HB2 . 11286 1 498 . 1 1 45 45 MET HB3 H 1 1.461 0.030 . 2 . . . . 45 MET HB3 . 11286 1 499 . 1 1 45 45 MET HE1 H 1 1.426 0.030 . 1 . . . . 45 MET HE . 11286 1 500 . 1 1 45 45 MET HE2 H 1 1.426 0.030 . 1 . . . . 45 MET HE . 11286 1 501 . 1 1 45 45 MET HE3 H 1 1.426 0.030 . 1 . . . . 45 MET HE . 11286 1 502 . 1 1 45 45 MET HG2 H 1 2.242 0.030 . 2 . . . . 45 MET HG2 . 11286 1 503 . 1 1 45 45 MET HG3 H 1 2.189 0.030 . 2 . . . . 45 MET HG3 . 11286 1 504 . 1 1 45 45 MET C C 13 177.825 0.300 . 1 . . . . 45 MET C . 11286 1 505 . 1 1 45 45 MET CA C 13 53.919 0.300 . 1 . . . . 45 MET CA . 11286 1 506 . 1 1 45 45 MET CB C 13 30.998 0.300 . 1 . . . . 45 MET CB . 11286 1 507 . 1 1 45 45 MET CE C 13 15.090 0.300 . 1 . . . . 45 MET CE . 11286 1 508 . 1 1 45 45 MET CG C 13 31.759 0.300 . 1 . . . . 45 MET CG . 11286 1 509 . 1 1 45 45 MET N N 15 114.647 0.300 . 1 . . . . 45 MET N . 11286 1 510 . 1 1 46 46 TYR H H 1 8.316 0.030 . 1 . . . . 46 TYR H . 11286 1 511 . 1 1 46 46 TYR HA H 1 3.934 0.030 . 1 . . . . 46 TYR HA . 11286 1 512 . 1 1 46 46 TYR HB2 H 1 2.583 0.030 . 2 . . . . 46 TYR HB2 . 11286 1 513 . 1 1 46 46 TYR HB3 H 1 2.188 0.030 . 2 . . . . 46 TYR HB3 . 11286 1 514 . 1 1 46 46 TYR HD1 H 1 6.662 0.030 . 1 . . . . 46 TYR HD1 . 11286 1 515 . 1 1 46 46 TYR HD2 H 1 6.662 0.030 . 1 . . . . 46 TYR HD2 . 11286 1 516 . 1 1 46 46 TYR HE1 H 1 6.791 0.030 . 1 . . . . 46 TYR HE1 . 11286 1 517 . 1 1 46 46 TYR HE2 H 1 6.791 0.030 . 1 . . . . 46 TYR HE2 . 11286 1 518 . 1 1 46 46 TYR C C 13 173.136 0.300 . 1 . . . . 46 TYR C . 11286 1 519 . 1 1 46 46 TYR CA C 13 62.516 0.300 . 1 . . . . 46 TYR CA . 11286 1 520 . 1 1 46 46 TYR CB C 13 35.017 0.300 . 1 . . . . 46 TYR CB . 11286 1 521 . 1 1 46 46 TYR CD1 C 13 132.737 0.300 . 1 . . . . 46 TYR CD1 . 11286 1 522 . 1 1 46 46 TYR CD2 C 13 132.737 0.300 . 1 . . . . 46 TYR CD2 . 11286 1 523 . 1 1 46 46 TYR CE1 C 13 117.773 0.300 . 1 . . . . 46 TYR CE1 . 11286 1 524 . 1 1 46 46 TYR CE2 C 13 117.773 0.300 . 1 . . . . 46 TYR CE2 . 11286 1 525 . 1 1 46 46 TYR N N 15 124.209 0.300 . 1 . . . . 46 TYR N . 11286 1 526 . 1 1 47 47 PRO HA H 1 3.927 0.030 . 1 . . . . 47 PRO HA . 11286 1 527 . 1 1 47 47 PRO HB2 H 1 2.254 0.030 . 2 . . . . 47 PRO HB2 . 11286 1 528 . 1 1 47 47 PRO HB3 H 1 1.657 0.030 . 2 . . . . 47 PRO HB3 . 11286 1 529 . 1 1 47 47 PRO HD2 H 1 3.556 0.030 . 2 . . . . 47 PRO HD2 . 11286 1 530 . 1 1 47 47 PRO HD3 H 1 3.407 0.030 . 2 . . . . 47 PRO HD3 . 11286 1 531 . 1 1 47 47 PRO HG2 H 1 2.003 0.030 . 2 . . . . 47 PRO HG2 . 11286 1 532 . 1 1 47 47 PRO HG3 H 1 1.861 0.030 . 2 . . . . 47 PRO HG3 . 11286 1 533 . 1 1 47 47 PRO C C 13 179.497 0.300 . 1 . . . . 47 PRO C . 11286 1 534 . 1 1 47 47 PRO CA C 13 66.021 0.300 . 1 . . . . 47 PRO CA . 11286 1 535 . 1 1 47 47 PRO CB C 13 31.135 0.300 . 1 . . . . 47 PRO CB . 11286 1 536 . 1 1 47 47 PRO CD C 13 50.245 0.300 . 1 . . . . 47 PRO CD . 11286 1 537 . 1 1 47 47 PRO CG C 13 28.621 0.300 . 1 . . . . 47 PRO CG . 11286 1 538 . 1 1 48 48 VAL H H 1 6.806 0.030 . 1 . . . . 48 VAL H . 11286 1 539 . 1 1 48 48 VAL HA H 1 3.637 0.030 . 1 . . . . 48 VAL HA . 11286 1 540 . 1 1 48 48 VAL HB H 1 2.324 0.030 . 1 . . . . 48 VAL HB . 11286 1 541 . 1 1 48 48 VAL HG11 H 1 1.111 0.030 . 1 . . . . 48 VAL HG1 . 11286 1 542 . 1 1 48 48 VAL HG12 H 1 1.111 0.030 . 1 . . . . 48 VAL HG1 . 11286 1 543 . 1 1 48 48 VAL HG13 H 1 1.111 0.030 . 1 . . . . 48 VAL HG1 . 11286 1 544 . 1 1 48 48 VAL HG21 H 1 0.971 0.030 . 1 . . . . 48 VAL HG2 . 11286 1 545 . 1 1 48 48 VAL HG22 H 1 0.971 0.030 . 1 . . . . 48 VAL HG2 . 11286 1 546 . 1 1 48 48 VAL HG23 H 1 0.971 0.030 . 1 . . . . 48 VAL HG2 . 11286 1 547 . 1 1 48 48 VAL C C 13 178.171 0.300 . 1 . . . . 48 VAL C . 11286 1 548 . 1 1 48 48 VAL CA C 13 65.316 0.300 . 1 . . . . 48 VAL CA . 11286 1 549 . 1 1 48 48 VAL CB C 13 31.640 0.300 . 1 . . . . 48 VAL CB . 11286 1 550 . 1 1 48 48 VAL CG1 C 13 21.469 0.300 . 2 . . . . 48 VAL CG1 . 11286 1 551 . 1 1 48 48 VAL CG2 C 13 21.754 0.300 . 2 . . . . 48 VAL CG2 . 11286 1 552 . 1 1 48 48 VAL N N 15 117.132 0.300 . 1 . . . . 48 VAL N . 11286 1 553 . 1 1 49 49 ALA H H 1 7.902 0.030 . 1 . . . . 49 ALA H . 11286 1 554 . 1 1 49 49 ALA HA H 1 3.647 0.030 . 1 . . . . 49 ALA HA . 11286 1 555 . 1 1 49 49 ALA HB1 H 1 0.186 0.030 . 1 . . . . 49 ALA HB . 11286 1 556 . 1 1 49 49 ALA HB2 H 1 0.186 0.030 . 1 . . . . 49 ALA HB . 11286 1 557 . 1 1 49 49 ALA HB3 H 1 0.186 0.030 . 1 . . . . 49 ALA HB . 11286 1 558 . 1 1 49 49 ALA C C 13 178.642 0.300 . 1 . . . . 49 ALA C . 11286 1 559 . 1 1 49 49 ALA CA C 13 55.693 0.300 . 1 . . . . 49 ALA CA . 11286 1 560 . 1 1 49 49 ALA CB C 13 15.365 0.300 . 1 . . . . 49 ALA CB . 11286 1 561 . 1 1 49 49 ALA N N 15 124.837 0.300 . 1 . . . . 49 ALA N . 11286 1 562 . 1 1 50 50 LEU H H 1 7.741 0.030 . 1 . . . . 50 LEU H . 11286 1 563 . 1 1 50 50 LEU HA H 1 3.775 0.030 . 1 . . . . 50 LEU HA . 11286 1 564 . 1 1 50 50 LEU HB2 H 1 1.532 0.030 . 2 . . . . 50 LEU HB2 . 11286 1 565 . 1 1 50 50 LEU HB3 H 1 1.209 0.030 . 2 . . . . 50 LEU HB3 . 11286 1 566 . 1 1 50 50 LEU HD11 H 1 0.576 0.030 . 1 . . . . 50 LEU HD1 . 11286 1 567 . 1 1 50 50 LEU HD12 H 1 0.576 0.030 . 1 . . . . 50 LEU HD1 . 11286 1 568 . 1 1 50 50 LEU HD13 H 1 0.576 0.030 . 1 . . . . 50 LEU HD1 . 11286 1 569 . 1 1 50 50 LEU HD21 H 1 0.612 0.030 . 1 . . . . 50 LEU HD2 . 11286 1 570 . 1 1 50 50 LEU HD22 H 1 0.612 0.030 . 1 . . . . 50 LEU HD2 . 11286 1 571 . 1 1 50 50 LEU HD23 H 1 0.612 0.030 . 1 . . . . 50 LEU HD2 . 11286 1 572 . 1 1 50 50 LEU HG H 1 0.994 0.030 . 1 . . . . 50 LEU HG . 11286 1 573 . 1 1 50 50 LEU C C 13 180.513 0.300 . 1 . . . . 50 LEU C . 11286 1 574 . 1 1 50 50 LEU CA C 13 57.903 0.300 . 1 . . . . 50 LEU CA . 11286 1 575 . 1 1 50 50 LEU CB C 13 41.645 0.300 . 1 . . . . 50 LEU CB . 11286 1 576 . 1 1 50 50 LEU CD1 C 13 25.152 0.300 . 2 . . . . 50 LEU CD1 . 11286 1 577 . 1 1 50 50 LEU CD2 C 13 22.289 0.300 . 2 . . . . 50 LEU CD2 . 11286 1 578 . 1 1 50 50 LEU CG C 13 25.959 0.300 . 1 . . . . 50 LEU CG . 11286 1 579 . 1 1 50 50 LEU N N 15 113.570 0.300 . 1 . . . . 50 LEU N . 11286 1 580 . 1 1 51 51 VAL H H 1 7.019 0.030 . 1 . . . . 51 VAL H . 11286 1 581 . 1 1 51 51 VAL HA H 1 3.687 0.030 . 1 . . . . 51 VAL HA . 11286 1 582 . 1 1 51 51 VAL HB H 1 2.232 0.030 . 1 . . . . 51 VAL HB . 11286 1 583 . 1 1 51 51 VAL HG11 H 1 0.932 0.030 . 1 . . . . 51 VAL HG1 . 11286 1 584 . 1 1 51 51 VAL HG12 H 1 0.932 0.030 . 1 . . . . 51 VAL HG1 . 11286 1 585 . 1 1 51 51 VAL HG13 H 1 0.932 0.030 . 1 . . . . 51 VAL HG1 . 11286 1 586 . 1 1 51 51 VAL HG21 H 1 1.037 0.030 . 1 . . . . 51 VAL HG2 . 11286 1 587 . 1 1 51 51 VAL HG22 H 1 1.037 0.030 . 1 . . . . 51 VAL HG2 . 11286 1 588 . 1 1 51 51 VAL HG23 H 1 1.037 0.030 . 1 . . . . 51 VAL HG2 . 11286 1 589 . 1 1 51 51 VAL C C 13 178.896 0.300 . 1 . . . . 51 VAL C . 11286 1 590 . 1 1 51 51 VAL CA C 13 66.299 0.300 . 1 . . . . 51 VAL CA . 11286 1 591 . 1 1 51 51 VAL CB C 13 31.801 0.300 . 1 . . . . 51 VAL CB . 11286 1 592 . 1 1 51 51 VAL CG1 C 13 21.319 0.300 . 2 . . . . 51 VAL CG1 . 11286 1 593 . 1 1 51 51 VAL CG2 C 13 22.524 0.300 . 2 . . . . 51 VAL CG2 . 11286 1 594 . 1 1 51 51 VAL N N 15 119.548 0.300 . 1 . . . . 51 VAL N . 11286 1 595 . 1 1 52 52 MET H H 1 8.082 0.030 . 1 . . . . 52 MET H . 11286 1 596 . 1 1 52 52 MET HA H 1 4.192 0.030 . 1 . . . . 52 MET HA . 11286 1 597 . 1 1 52 52 MET HB2 H 1 2.342 0.030 . 2 . . . . 52 MET HB2 . 11286 1 598 . 1 1 52 52 MET HB3 H 1 2.233 0.030 . 2 . . . . 52 MET HB3 . 11286 1 599 . 1 1 52 52 MET HE1 H 1 2.272 0.030 . 1 . . . . 52 MET HE . 11286 1 600 . 1 1 52 52 MET HE2 H 1 2.272 0.030 . 1 . . . . 52 MET HE . 11286 1 601 . 1 1 52 52 MET HE3 H 1 2.272 0.030 . 1 . . . . 52 MET HE . 11286 1 602 . 1 1 52 52 MET HG2 H 1 3.048 0.030 . 2 . . . . 52 MET HG2 . 11286 1 603 . 1 1 52 52 MET HG3 H 1 2.673 0.030 . 2 . . . . 52 MET HG3 . 11286 1 604 . 1 1 52 52 MET C C 13 179.314 0.300 . 1 . . . . 52 MET C . 11286 1 605 . 1 1 52 52 MET CA C 13 59.479 0.300 . 1 . . . . 52 MET CA . 11286 1 606 . 1 1 52 52 MET CB C 13 32.083 0.300 . 1 . . . . 52 MET CB . 11286 1 607 . 1 1 52 52 MET CE C 13 17.730 0.300 . 1 . . . . 52 MET CE . 11286 1 608 . 1 1 52 52 MET CG C 13 32.869 0.300 . 1 . . . . 52 MET CG . 11286 1 609 . 1 1 52 52 MET N N 15 120.310 0.300 . 1 . . . . 52 MET N . 11286 1 610 . 1 1 53 53 LEU H H 1 8.559 0.030 . 1 . . . . 53 LEU H . 11286 1 611 . 1 1 53 53 LEU HA H 1 4.044 0.030 . 1 . . . . 53 LEU HA . 11286 1 612 . 1 1 53 53 LEU HB2 H 1 2.024 0.030 . 2 . . . . 53 LEU HB2 . 11286 1 613 . 1 1 53 53 LEU HB3 H 1 1.568 0.030 . 2 . . . . 53 LEU HB3 . 11286 1 614 . 1 1 53 53 LEU HD11 H 1 1.056 0.030 . 1 . . . . 53 LEU HD1 . 11286 1 615 . 1 1 53 53 LEU HD12 H 1 1.056 0.030 . 1 . . . . 53 LEU HD1 . 11286 1 616 . 1 1 53 53 LEU HD13 H 1 1.056 0.030 . 1 . . . . 53 LEU HD1 . 11286 1 617 . 1 1 53 53 LEU HD21 H 1 1.030 0.030 . 1 . . . . 53 LEU HD2 . 11286 1 618 . 1 1 53 53 LEU HD22 H 1 1.030 0.030 . 1 . . . . 53 LEU HD2 . 11286 1 619 . 1 1 53 53 LEU HD23 H 1 1.030 0.030 . 1 . . . . 53 LEU HD2 . 11286 1 620 . 1 1 53 53 LEU HG H 1 2.120 0.030 . 1 . . . . 53 LEU HG . 11286 1 621 . 1 1 53 53 LEU C C 13 178.206 0.300 . 1 . . . . 53 LEU C . 11286 1 622 . 1 1 53 53 LEU CA C 13 57.672 0.300 . 1 . . . . 53 LEU CA . 11286 1 623 . 1 1 53 53 LEU CB C 13 42.889 0.300 . 1 . . . . 53 LEU CB . 11286 1 624 . 1 1 53 53 LEU CD1 C 13 26.099 0.300 . 2 . . . . 53 LEU CD1 . 11286 1 625 . 1 1 53 53 LEU CD2 C 13 23.842 0.300 . 2 . . . . 53 LEU CD2 . 11286 1 626 . 1 1 53 53 LEU CG C 13 26.514 0.300 . 1 . . . . 53 LEU CG . 11286 1 627 . 1 1 53 53 LEU N N 15 118.037 0.300 . 1 . . . . 53 LEU N . 11286 1 628 . 1 1 54 54 GLN H H 1 7.299 0.030 . 1 . . . . 54 GLN H . 11286 1 629 . 1 1 54 54 GLN HA H 1 4.102 0.030 . 1 . . . . 54 GLN HA . 11286 1 630 . 1 1 54 54 GLN HB2 H 1 2.290 0.030 . 2 . . . . 54 GLN HB2 . 11286 1 631 . 1 1 54 54 GLN HB3 H 1 2.235 0.030 . 2 . . . . 54 GLN HB3 . 11286 1 632 . 1 1 54 54 GLN HG2 H 1 2.590 0.030 . 2 . . . . 54 GLN HG2 . 11286 1 633 . 1 1 54 54 GLN HG3 H 1 2.465 0.030 . 2 . . . . 54 GLN HG3 . 11286 1 634 . 1 1 54 54 GLN C C 13 177.411 0.300 . 1 . . . . 54 GLN C . 11286 1 635 . 1 1 54 54 GLN CA C 13 57.439 0.300 . 1 . . . . 54 GLN CA . 11286 1 636 . 1 1 54 54 GLN CB C 13 28.885 0.300 . 1 . . . . 54 GLN CB . 11286 1 637 . 1 1 54 54 GLN CG C 13 33.976 0.300 . 1 . . . . 54 GLN CG . 11286 1 638 . 1 1 54 54 GLN N N 15 115.034 0.300 . 1 . . . . 54 GLN N . 11286 1 639 . 1 1 55 55 GLU H H 1 7.485 0.030 . 1 . . . . 55 GLU H . 11286 1 640 . 1 1 55 55 GLU HA H 1 4.388 0.030 . 1 . . . . 55 GLU HA . 11286 1 641 . 1 1 55 55 GLU HB2 H 1 2.181 0.030 . 2 . . . . 55 GLU HB2 . 11286 1 642 . 1 1 55 55 GLU HB3 H 1 1.980 0.030 . 2 . . . . 55 GLU HB3 . 11286 1 643 . 1 1 55 55 GLU HG2 H 1 2.434 0.030 . 2 . . . . 55 GLU HG2 . 11286 1 644 . 1 1 55 55 GLU HG3 H 1 2.267 0.030 . 2 . . . . 55 GLU HG3 . 11286 1 645 . 1 1 55 55 GLU C C 13 175.934 0.300 . 1 . . . . 55 GLU C . 11286 1 646 . 1 1 55 55 GLU CA C 13 56.681 0.300 . 1 . . . . 55 GLU CA . 11286 1 647 . 1 1 55 55 GLU CB C 13 31.193 0.300 . 1 . . . . 55 GLU CB . 11286 1 648 . 1 1 55 55 GLU CG C 13 36.200 0.300 . 1 . . . . 55 GLU CG . 11286 1 649 . 1 1 55 55 GLU N N 15 116.000 0.300 . 1 . . . . 55 GLU N . 11286 1 650 . 1 1 56 56 ASP H H 1 7.752 0.030 . 1 . . . . 56 ASP H . 11286 1 651 . 1 1 56 56 ASP HA H 1 4.871 0.030 . 1 . . . . 56 ASP HA . 11286 1 652 . 1 1 56 56 ASP HB2 H 1 3.107 0.030 . 2 . . . . 56 ASP HB2 . 11286 1 653 . 1 1 56 56 ASP HB3 H 1 2.464 0.030 . 2 . . . . 56 ASP HB3 . 11286 1 654 . 1 1 56 56 ASP C C 13 175.222 0.300 . 1 . . . . 56 ASP C . 11286 1 655 . 1 1 56 56 ASP CA C 13 52.696 0.300 . 1 . . . . 56 ASP CA . 11286 1 656 . 1 1 56 56 ASP CB C 13 42.098 0.300 . 1 . . . . 56 ASP CB . 11286 1 657 . 1 1 56 56 ASP N N 15 120.021 0.300 . 1 . . . . 56 ASP N . 11286 1 658 . 1 1 57 57 GLU H H 1 8.733 0.030 . 1 . . . . 57 GLU H . 11286 1 659 . 1 1 57 57 GLU HA H 1 4.199 0.030 . 1 . . . . 57 GLU HA . 11286 1 660 . 1 1 57 57 GLU HB2 H 1 2.119 0.030 . 2 . . . . 57 GLU HB2 . 11286 1 661 . 1 1 57 57 GLU HB3 H 1 2.031 0.030 . 2 . . . . 57 GLU HB3 . 11286 1 662 . 1 1 57 57 GLU HG2 H 1 2.350 0.030 . 2 . . . . 57 GLU HG2 . 11286 1 663 . 1 1 57 57 GLU HG3 H 1 2.307 0.030 . 2 . . . . 57 GLU HG3 . 11286 1 664 . 1 1 57 57 GLU C C 13 179.042 0.300 . 1 . . . . 57 GLU C . 11286 1 665 . 1 1 57 57 GLU CA C 13 58.887 0.300 . 1 . . . . 57 GLU CA . 11286 1 666 . 1 1 57 57 GLU CB C 13 29.931 0.300 . 1 . . . . 57 GLU CB . 11286 1 667 . 1 1 57 57 GLU CG C 13 36.283 0.300 . 1 . . . . 57 GLU CG . 11286 1 668 . 1 1 57 57 GLU N N 15 124.981 0.300 . 1 . . . . 57 GLU N . 11286 1 669 . 1 1 58 58 LEU H H 1 8.119 0.030 . 1 . . . . 58 LEU H . 11286 1 670 . 1 1 58 58 LEU HA H 1 4.153 0.030 . 1 . . . . 58 LEU HA . 11286 1 671 . 1 1 58 58 LEU HB2 H 1 2.010 0.030 . 2 . . . . 58 LEU HB2 . 11286 1 672 . 1 1 58 58 LEU HB3 H 1 1.581 0.030 . 2 . . . . 58 LEU HB3 . 11286 1 673 . 1 1 58 58 LEU HD11 H 1 0.941 0.030 . 1 . . . . 58 LEU HD1 . 11286 1 674 . 1 1 58 58 LEU HD12 H 1 0.941 0.030 . 1 . . . . 58 LEU HD1 . 11286 1 675 . 1 1 58 58 LEU HD13 H 1 0.941 0.030 . 1 . . . . 58 LEU HD1 . 11286 1 676 . 1 1 58 58 LEU HD21 H 1 0.839 0.030 . 1 . . . . 58 LEU HD2 . 11286 1 677 . 1 1 58 58 LEU HD22 H 1 0.839 0.030 . 1 . . . . 58 LEU HD2 . 11286 1 678 . 1 1 58 58 LEU HD23 H 1 0.839 0.030 . 1 . . . . 58 LEU HD2 . 11286 1 679 . 1 1 58 58 LEU HG H 1 1.708 0.030 . 1 . . . . 58 LEU HG . 11286 1 680 . 1 1 58 58 LEU C C 13 179.791 0.300 . 1 . . . . 58 LEU C . 11286 1 681 . 1 1 58 58 LEU CA C 13 57.670 0.300 . 1 . . . . 58 LEU CA . 11286 1 682 . 1 1 58 58 LEU CB C 13 40.502 0.300 . 1 . . . . 58 LEU CB . 11286 1 683 . 1 1 58 58 LEU CD1 C 13 24.655 0.300 . 2 . . . . 58 LEU CD1 . 11286 1 684 . 1 1 58 58 LEU CD2 C 13 23.512 0.300 . 2 . . . . 58 LEU CD2 . 11286 1 685 . 1 1 58 58 LEU CG C 13 27.345 0.300 . 1 . . . . 58 LEU CG . 11286 1 686 . 1 1 58 58 LEU N N 15 120.114 0.300 . 1 . . . . 58 LEU N . 11286 1 687 . 1 1 59 59 LEU H H 1 7.746 0.030 . 1 . . . . 59 LEU H . 11286 1 688 . 1 1 59 59 LEU HA H 1 3.891 0.030 . 1 . . . . 59 LEU HA . 11286 1 689 . 1 1 59 59 LEU HB2 H 1 2.160 0.030 . 2 . . . . 59 LEU HB2 . 11286 1 690 . 1 1 59 59 LEU HB3 H 1 1.669 0.030 . 2 . . . . 59 LEU HB3 . 11286 1 691 . 1 1 59 59 LEU HD11 H 1 0.500 0.030 . 1 . . . . 59 LEU HD1 . 11286 1 692 . 1 1 59 59 LEU HD12 H 1 0.500 0.030 . 1 . . . . 59 LEU HD1 . 11286 1 693 . 1 1 59 59 LEU HD13 H 1 0.500 0.030 . 1 . . . . 59 LEU HD1 . 11286 1 694 . 1 1 59 59 LEU HD21 H 1 0.990 0.030 . 1 . . . . 59 LEU HD2 . 11286 1 695 . 1 1 59 59 LEU HD22 H 1 0.990 0.030 . 1 . . . . 59 LEU HD2 . 11286 1 696 . 1 1 59 59 LEU HD23 H 1 0.990 0.030 . 1 . . . . 59 LEU HD2 . 11286 1 697 . 1 1 59 59 LEU HG H 1 1.493 0.030 . 1 . . . . 59 LEU HG . 11286 1 698 . 1 1 59 59 LEU C C 13 178.506 0.300 . 1 . . . . 59 LEU C . 11286 1 699 . 1 1 59 59 LEU CA C 13 57.784 0.300 . 1 . . . . 59 LEU CA . 11286 1 700 . 1 1 59 59 LEU CB C 13 41.638 0.300 . 1 . . . . 59 LEU CB . 11286 1 701 . 1 1 59 59 LEU CD1 C 13 22.955 0.300 . 2 . . . . 59 LEU CD1 . 11286 1 702 . 1 1 59 59 LEU CD2 C 13 25.737 0.300 . 2 . . . . 59 LEU CD2 . 11286 1 703 . 1 1 59 59 LEU CG C 13 27.198 0.300 . 1 . . . . 59 LEU CG . 11286 1 704 . 1 1 59 59 LEU N N 15 124.830 0.300 . 1 . . . . 59 LEU N . 11286 1 705 . 1 1 60 60 SER H H 1 7.762 0.030 . 1 . . . . 60 SER H . 11286 1 706 . 1 1 60 60 SER HA H 1 4.065 0.030 . 1 . . . . 60 SER HA . 11286 1 707 . 1 1 60 60 SER HB2 H 1 4.106 0.030 . 1 . . . . 60 SER HB2 . 11286 1 708 . 1 1 60 60 SER HB3 H 1 4.106 0.030 . 1 . . . . 60 SER HB3 . 11286 1 709 . 1 1 60 60 SER C C 13 177.614 0.300 . 1 . . . . 60 SER C . 11286 1 710 . 1 1 60 60 SER CA C 13 61.553 0.300 . 1 . . . . 60 SER CA . 11286 1 711 . 1 1 60 60 SER CB C 13 62.671 0.300 . 1 . . . . 60 SER CB . 11286 1 712 . 1 1 60 60 SER N N 15 112.071 0.300 . 1 . . . . 60 SER N . 11286 1 713 . 1 1 61 61 LYS H H 1 8.080 0.030 . 1 . . . . 61 LYS H . 11286 1 714 . 1 1 61 61 LYS HA H 1 4.117 0.030 . 1 . . . . 61 LYS HA . 11286 1 715 . 1 1 61 61 LYS HB2 H 1 1.979 0.030 . 2 . . . . 61 LYS HB2 . 11286 1 716 . 1 1 61 61 LYS HB3 H 1 1.924 0.030 . 2 . . . . 61 LYS HB3 . 11286 1 717 . 1 1 61 61 LYS HD2 H 1 1.660 0.030 . 1 . . . . 61 LYS HD2 . 11286 1 718 . 1 1 61 61 LYS HD3 H 1 1.660 0.030 . 1 . . . . 61 LYS HD3 . 11286 1 719 . 1 1 61 61 LYS HE2 H 1 2.955 0.030 . 1 . . . . 61 LYS HE2 . 11286 1 720 . 1 1 61 61 LYS HE3 H 1 2.955 0.030 . 1 . . . . 61 LYS HE3 . 11286 1 721 . 1 1 61 61 LYS HG2 H 1 1.735 0.030 . 2 . . . . 61 LYS HG2 . 11286 1 722 . 1 1 61 61 LYS HG3 H 1 1.477 0.030 . 2 . . . . 61 LYS HG3 . 11286 1 723 . 1 1 61 61 LYS C C 13 179.623 0.300 . 1 . . . . 61 LYS C . 11286 1 724 . 1 1 61 61 LYS CA C 13 59.860 0.300 . 1 . . . . 61 LYS CA . 11286 1 725 . 1 1 61 61 LYS CB C 13 32.639 0.300 . 1 . . . . 61 LYS CB . 11286 1 726 . 1 1 61 61 LYS CD C 13 29.472 0.300 . 1 . . . . 61 LYS CD . 11286 1 727 . 1 1 61 61 LYS CE C 13 42.115 0.300 . 1 . . . . 61 LYS CE . 11286 1 728 . 1 1 61 61 LYS CG C 13 25.786 0.300 . 1 . . . . 61 LYS CG . 11286 1 729 . 1 1 61 61 LYS N N 15 121.238 0.300 . 1 . . . . 61 LYS N . 11286 1 730 . 1 1 62 62 MET H H 1 8.271 0.030 . 1 . . . . 62 MET H . 11286 1 731 . 1 1 62 62 MET HA H 1 4.259 0.030 . 1 . . . . 62 MET HA . 11286 1 732 . 1 1 62 62 MET HB2 H 1 2.067 0.030 . 2 . . . . 62 MET HB2 . 11286 1 733 . 1 1 62 62 MET HB3 H 1 1.571 0.030 . 2 . . . . 62 MET HB3 . 11286 1 734 . 1 1 62 62 MET HE1 H 1 1.949 0.030 . 1 . . . . 62 MET HE . 11286 1 735 . 1 1 62 62 MET HE2 H 1 1.949 0.030 . 1 . . . . 62 MET HE . 11286 1 736 . 1 1 62 62 MET HE3 H 1 1.949 0.030 . 1 . . . . 62 MET HE . 11286 1 737 . 1 1 62 62 MET HG2 H 1 2.074 0.030 . 2 . . . . 62 MET HG2 . 11286 1 738 . 1 1 62 62 MET HG3 H 1 1.873 0.030 . 2 . . . . 62 MET HG3 . 11286 1 739 . 1 1 62 62 MET C C 13 177.597 0.300 . 1 . . . . 62 MET C . 11286 1 740 . 1 1 62 62 MET CA C 13 56.958 0.300 . 1 . . . . 62 MET CA . 11286 1 741 . 1 1 62 62 MET CB C 13 30.397 0.300 . 1 . . . . 62 MET CB . 11286 1 742 . 1 1 62 62 MET CE C 13 16.570 0.300 . 1 . . . . 62 MET CE . 11286 1 743 . 1 1 62 62 MET CG C 13 31.512 0.300 . 1 . . . . 62 MET CG . 11286 1 744 . 1 1 62 62 MET N N 15 121.137 0.300 . 1 . . . . 62 MET N . 11286 1 745 . 1 1 63 63 ARG H H 1 8.194 0.030 . 1 . . . . 63 ARG H . 11286 1 746 . 1 1 63 63 ARG HA H 1 2.959 0.030 . 1 . . . . 63 ARG HA . 11286 1 747 . 1 1 63 63 ARG HB2 H 1 1.710 0.030 . 2 . . . . 63 ARG HB2 . 11286 1 748 . 1 1 63 63 ARG HB3 H 1 1.122 0.030 . 2 . . . . 63 ARG HB3 . 11286 1 749 . 1 1 63 63 ARG HD2 H 1 3.022 0.030 . 2 . . . . 63 ARG HD2 . 11286 1 750 . 1 1 63 63 ARG HD3 H 1 2.794 0.030 . 2 . . . . 63 ARG HD3 . 11286 1 751 . 1 1 63 63 ARG HG2 H 1 1.044 0.030 . 2 . . . . 63 ARG HG2 . 11286 1 752 . 1 1 63 63 ARG HG3 H 1 0.528 0.030 . 2 . . . . 63 ARG HG3 . 11286 1 753 . 1 1 63 63 ARG C C 13 177.770 0.300 . 1 . . . . 63 ARG C . 11286 1 754 . 1 1 63 63 ARG CA C 13 59.429 0.300 . 1 . . . . 63 ARG CA . 11286 1 755 . 1 1 63 63 ARG CB C 13 28.687 0.300 . 1 . . . . 63 ARG CB . 11286 1 756 . 1 1 63 63 ARG CD C 13 43.049 0.300 . 1 . . . . 63 ARG CD . 11286 1 757 . 1 1 63 63 ARG CG C 13 26.561 0.300 . 1 . . . . 63 ARG CG . 11286 1 758 . 1 1 63 63 ARG N N 15 120.284 0.300 . 1 . . . . 63 ARG N . 11286 1 759 . 1 1 64 64 PHE H H 1 7.742 0.030 . 1 . . . . 64 PHE H . 11286 1 760 . 1 1 64 64 PHE HA H 1 4.326 0.030 . 1 . . . . 64 PHE HA . 11286 1 761 . 1 1 64 64 PHE HB2 H 1 3.141 0.030 . 1 . . . . 64 PHE HB2 . 11286 1 762 . 1 1 64 64 PHE HB3 H 1 3.141 0.030 . 1 . . . . 64 PHE HB3 . 11286 1 763 . 1 1 64 64 PHE HD1 H 1 7.335 0.030 . 1 . . . . 64 PHE HD1 . 11286 1 764 . 1 1 64 64 PHE HD2 H 1 7.335 0.030 . 1 . . . . 64 PHE HD2 . 11286 1 765 . 1 1 64 64 PHE HE1 H 1 7.296 0.030 . 1 . . . . 64 PHE HE1 . 11286 1 766 . 1 1 64 64 PHE HE2 H 1 7.296 0.030 . 1 . . . . 64 PHE HE2 . 11286 1 767 . 1 1 64 64 PHE C C 13 177.323 0.300 . 1 . . . . 64 PHE C . 11286 1 768 . 1 1 64 64 PHE CA C 13 60.536 0.300 . 1 . . . . 64 PHE CA . 11286 1 769 . 1 1 64 64 PHE CB C 13 38.939 0.300 . 1 . . . . 64 PHE CB . 11286 1 770 . 1 1 64 64 PHE CD1 C 13 131.821 0.300 . 1 . . . . 64 PHE CD1 . 11286 1 771 . 1 1 64 64 PHE CD2 C 13 131.821 0.300 . 1 . . . . 64 PHE CD2 . 11286 1 772 . 1 1 64 64 PHE CE1 C 13 129.819 0.300 . 1 . . . . 64 PHE CE1 . 11286 1 773 . 1 1 64 64 PHE CE2 C 13 129.819 0.300 . 1 . . . . 64 PHE CE2 . 11286 1 774 . 1 1 64 64 PHE N N 15 116.804 0.300 . 1 . . . . 64 PHE N . 11286 1 775 . 1 1 65 65 ALA H H 1 7.785 0.030 . 1 . . . . 65 ALA H . 11286 1 776 . 1 1 65 65 ALA HA H 1 4.108 0.030 . 1 . . . . 65 ALA HA . 11286 1 777 . 1 1 65 65 ALA HB1 H 1 1.486 0.030 . 1 . . . . 65 ALA HB . 11286 1 778 . 1 1 65 65 ALA HB2 H 1 1.486 0.030 . 1 . . . . 65 ALA HB . 11286 1 779 . 1 1 65 65 ALA HB3 H 1 1.486 0.030 . 1 . . . . 65 ALA HB . 11286 1 780 . 1 1 65 65 ALA C C 13 180.143 0.300 . 1 . . . . 65 ALA C . 11286 1 781 . 1 1 65 65 ALA CA C 13 54.256 0.300 . 1 . . . . 65 ALA CA . 11286 1 782 . 1 1 65 65 ALA CB C 13 18.879 0.300 . 1 . . . . 65 ALA CB . 11286 1 783 . 1 1 65 65 ALA N N 15 118.797 0.300 . 1 . . . . 65 ALA N . 11286 1 784 . 1 1 66 66 LEU H H 1 7.976 0.030 . 1 . . . . 66 LEU H . 11286 1 785 . 1 1 66 66 LEU HA H 1 4.389 0.030 . 1 . . . . 66 LEU HA . 11286 1 786 . 1 1 66 66 LEU HB2 H 1 1.705 0.030 . 2 . . . . 66 LEU HB2 . 11286 1 787 . 1 1 66 66 LEU HB3 H 1 1.545 0.030 . 2 . . . . 66 LEU HB3 . 11286 1 788 . 1 1 66 66 LEU HD11 H 1 0.871 0.030 . 1 . . . . 66 LEU HD1 . 11286 1 789 . 1 1 66 66 LEU HD12 H 1 0.871 0.030 . 1 . . . . 66 LEU HD1 . 11286 1 790 . 1 1 66 66 LEU HD13 H 1 0.871 0.030 . 1 . . . . 66 LEU HD1 . 11286 1 791 . 1 1 66 66 LEU HD21 H 1 0.831 0.030 . 1 . . . . 66 LEU HD2 . 11286 1 792 . 1 1 66 66 LEU HD22 H 1 0.831 0.030 . 1 . . . . 66 LEU HD2 . 11286 1 793 . 1 1 66 66 LEU HD23 H 1 0.831 0.030 . 1 . . . . 66 LEU HD2 . 11286 1 794 . 1 1 66 66 LEU HG H 1 2.018 0.030 . 1 . . . . 66 LEU HG . 11286 1 795 . 1 1 66 66 LEU C C 13 176.416 0.300 . 1 . . . . 66 LEU C . 11286 1 796 . 1 1 66 66 LEU CA C 13 56.722 0.300 . 1 . . . . 66 LEU CA . 11286 1 797 . 1 1 66 66 LEU CB C 13 43.738 0.300 . 1 . . . . 66 LEU CB . 11286 1 798 . 1 1 66 66 LEU CD1 C 13 25.924 0.300 . 2 . . . . 66 LEU CD1 . 11286 1 799 . 1 1 66 66 LEU CD2 C 13 23.604 0.300 . 2 . . . . 66 LEU CD2 . 11286 1 800 . 1 1 66 66 LEU CG C 13 27.519 0.300 . 1 . . . . 66 LEU CG . 11286 1 801 . 1 1 66 66 LEU N N 15 115.382 0.300 . 1 . . . . 66 LEU N . 11286 1 802 . 1 1 67 67 VAL H H 1 8.158 0.030 . 1 . . . . 67 VAL H . 11286 1 803 . 1 1 67 67 VAL HA H 1 5.146 0.030 . 1 . . . . 67 VAL HA . 11286 1 804 . 1 1 67 67 VAL HB H 1 1.906 0.030 . 1 . . . . 67 VAL HB . 11286 1 805 . 1 1 67 67 VAL HG11 H 1 0.793 0.030 . 1 . . . . 67 VAL HG1 . 11286 1 806 . 1 1 67 67 VAL HG12 H 1 0.793 0.030 . 1 . . . . 67 VAL HG1 . 11286 1 807 . 1 1 67 67 VAL HG13 H 1 0.793 0.030 . 1 . . . . 67 VAL HG1 . 11286 1 808 . 1 1 67 67 VAL HG21 H 1 0.291 0.030 . 1 . . . . 67 VAL HG2 . 11286 1 809 . 1 1 67 67 VAL HG22 H 1 0.291 0.030 . 1 . . . . 67 VAL HG2 . 11286 1 810 . 1 1 67 67 VAL HG23 H 1 0.291 0.030 . 1 . . . . 67 VAL HG2 . 11286 1 811 . 1 1 67 67 VAL C C 13 176.663 0.300 . 1 . . . . 67 VAL C . 11286 1 812 . 1 1 67 67 VAL CA C 13 57.849 0.300 . 1 . . . . 67 VAL CA . 11286 1 813 . 1 1 67 67 VAL CB C 13 33.084 0.300 . 1 . . . . 67 VAL CB . 11286 1 814 . 1 1 67 67 VAL CG1 C 13 20.152 0.300 . 2 . . . . 67 VAL CG1 . 11286 1 815 . 1 1 67 67 VAL CG2 C 13 21.734 0.300 . 2 . . . . 67 VAL CG2 . 11286 1 816 . 1 1 67 67 VAL N N 15 121.227 0.300 . 1 . . . . 67 VAL N . 11286 1 817 . 1 1 68 68 PRO HA H 1 5.299 0.030 . 1 . . . . 68 PRO HA . 11286 1 818 . 1 1 68 68 PRO HB2 H 1 2.250 0.030 . 2 . . . . 68 PRO HB2 . 11286 1 819 . 1 1 68 68 PRO HB3 H 1 2.087 0.030 . 2 . . . . 68 PRO HB3 . 11286 1 820 . 1 1 68 68 PRO HD2 H 1 3.586 0.030 . 2 . . . . 68 PRO HD2 . 11286 1 821 . 1 1 68 68 PRO HD3 H 1 3.382 0.030 . 2 . . . . 68 PRO HD3 . 11286 1 822 . 1 1 68 68 PRO HG2 H 1 2.023 0.030 . 2 . . . . 68 PRO HG2 . 11286 1 823 . 1 1 68 68 PRO HG3 H 1 1.644 0.030 . 2 . . . . 68 PRO HG3 . 11286 1 824 . 1 1 68 68 PRO C C 13 177.221 0.300 . 1 . . . . 68 PRO C . 11286 1 825 . 1 1 68 68 PRO CA C 13 63.889 0.300 . 1 . . . . 68 PRO CA . 11286 1 826 . 1 1 68 68 PRO CB C 13 33.753 0.300 . 1 . . . . 68 PRO CB . 11286 1 827 . 1 1 68 68 PRO CD C 13 48.627 0.300 . 1 . . . . 68 PRO CD . 11286 1 828 . 1 1 68 68 PRO CG C 13 24.031 0.300 . 1 . . . . 68 PRO CG . 11286 1 829 . 1 1 69 69 LYS H H 1 7.928 0.030 . 1 . . . . 69 LYS H . 11286 1 830 . 1 1 69 69 LYS HA H 1 3.869 0.030 . 1 . . . . 69 LYS HA . 11286 1 831 . 1 1 69 69 LYS HB2 H 1 1.760 0.030 . 2 . . . . 69 LYS HB2 . 11286 1 832 . 1 1 69 69 LYS HB3 H 1 1.641 0.030 . 2 . . . . 69 LYS HB3 . 11286 1 833 . 1 1 69 69 LYS HD2 H 1 1.653 0.030 . 1 . . . . 69 LYS HD2 . 11286 1 834 . 1 1 69 69 LYS HD3 H 1 1.653 0.030 . 1 . . . . 69 LYS HD3 . 11286 1 835 . 1 1 69 69 LYS HE2 H 1 2.950 0.030 . 1 . . . . 69 LYS HE2 . 11286 1 836 . 1 1 69 69 LYS HE3 H 1 2.950 0.030 . 1 . . . . 69 LYS HE3 . 11286 1 837 . 1 1 69 69 LYS HG2 H 1 1.440 0.030 . 2 . . . . 69 LYS HG2 . 11286 1 838 . 1 1 69 69 LYS HG3 H 1 1.336 0.030 . 2 . . . . 69 LYS HG3 . 11286 1 839 . 1 1 69 69 LYS C C 13 177.135 0.300 . 1 . . . . 69 LYS C . 11286 1 840 . 1 1 69 69 LYS CA C 13 60.357 0.300 . 1 . . . . 69 LYS CA . 11286 1 841 . 1 1 69 69 LYS CB C 13 32.891 0.300 . 1 . . . . 69 LYS CB . 11286 1 842 . 1 1 69 69 LYS CD C 13 29.188 0.300 . 1 . . . . 69 LYS CD . 11286 1 843 . 1 1 69 69 LYS CE C 13 41.895 0.300 . 1 . . . . 69 LYS CE . 11286 1 844 . 1 1 69 69 LYS CG C 13 25.383 0.300 . 1 . . . . 69 LYS CG . 11286 1 845 . 1 1 69 69 LYS N N 15 123.650 0.300 . 1 . . . . 69 LYS N . 11286 1 846 . 1 1 70 70 LEU H H 1 8.436 0.030 . 1 . . . . 70 LEU H . 11286 1 847 . 1 1 70 70 LEU HA H 1 4.629 0.030 . 1 . . . . 70 LEU HA . 11286 1 848 . 1 1 70 70 LEU HB2 H 1 1.987 0.030 . 2 . . . . 70 LEU HB2 . 11286 1 849 . 1 1 70 70 LEU HB3 H 1 1.576 0.030 . 2 . . . . 70 LEU HB3 . 11286 1 850 . 1 1 70 70 LEU HD11 H 1 0.979 0.030 . 1 . . . . 70 LEU HD1 . 11286 1 851 . 1 1 70 70 LEU HD12 H 1 0.979 0.030 . 1 . . . . 70 LEU HD1 . 11286 1 852 . 1 1 70 70 LEU HD13 H 1 0.979 0.030 . 1 . . . . 70 LEU HD1 . 11286 1 853 . 1 1 70 70 LEU HD21 H 1 0.921 0.030 . 1 . . . . 70 LEU HD2 . 11286 1 854 . 1 1 70 70 LEU HD22 H 1 0.921 0.030 . 1 . . . . 70 LEU HD2 . 11286 1 855 . 1 1 70 70 LEU HD23 H 1 0.921 0.030 . 1 . . . . 70 LEU HD2 . 11286 1 856 . 1 1 70 70 LEU HG H 1 1.643 0.030 . 1 . . . . 70 LEU HG . 11286 1 857 . 1 1 70 70 LEU C C 13 176.727 0.300 . 1 . . . . 70 LEU C . 11286 1 858 . 1 1 70 70 LEU CA C 13 55.698 0.300 . 1 . . . . 70 LEU CA . 11286 1 859 . 1 1 70 70 LEU CB C 13 43.818 0.300 . 1 . . . . 70 LEU CB . 11286 1 860 . 1 1 70 70 LEU CD1 C 13 25.426 0.300 . 2 . . . . 70 LEU CD1 . 11286 1 861 . 1 1 70 70 LEU CD2 C 13 23.617 0.300 . 2 . . . . 70 LEU CD2 . 11286 1 862 . 1 1 70 70 LEU CG C 13 28.373 0.300 . 1 . . . . 70 LEU CG . 11286 1 863 . 1 1 70 70 LEU N N 15 115.737 0.300 . 1 . . . . 70 LEU N . 11286 1 864 . 1 1 71 71 VAL H H 1 7.710 0.030 . 1 . . . . 71 VAL H . 11286 1 865 . 1 1 71 71 VAL HA H 1 4.467 0.030 . 1 . . . . 71 VAL HA . 11286 1 866 . 1 1 71 71 VAL HB H 1 2.125 0.030 . 1 . . . . 71 VAL HB . 11286 1 867 . 1 1 71 71 VAL HG11 H 1 0.929 0.030 . 1 . . . . 71 VAL HG1 . 11286 1 868 . 1 1 71 71 VAL HG12 H 1 0.929 0.030 . 1 . . . . 71 VAL HG1 . 11286 1 869 . 1 1 71 71 VAL HG13 H 1 0.929 0.030 . 1 . . . . 71 VAL HG1 . 11286 1 870 . 1 1 71 71 VAL HG21 H 1 1.063 0.030 . 1 . . . . 71 VAL HG2 . 11286 1 871 . 1 1 71 71 VAL HG22 H 1 1.063 0.030 . 1 . . . . 71 VAL HG2 . 11286 1 872 . 1 1 71 71 VAL HG23 H 1 1.063 0.030 . 1 . . . . 71 VAL HG2 . 11286 1 873 . 1 1 71 71 VAL C C 13 172.484 0.300 . 1 . . . . 71 VAL C . 11286 1 874 . 1 1 71 71 VAL CA C 13 59.561 0.300 . 1 . . . . 71 VAL CA . 11286 1 875 . 1 1 71 71 VAL CB C 13 35.191 0.300 . 1 . . . . 71 VAL CB . 11286 1 876 . 1 1 71 71 VAL CG1 C 13 22.720 0.300 . 2 . . . . 71 VAL CG1 . 11286 1 877 . 1 1 71 71 VAL CG2 C 13 20.678 0.300 . 2 . . . . 71 VAL CG2 . 11286 1 878 . 1 1 71 71 VAL N N 15 116.792 0.300 . 1 . . . . 71 VAL N . 11286 1 879 . 1 1 72 72 LYS H H 1 7.979 0.030 . 1 . . . . 72 LYS H . 11286 1 880 . 1 1 72 72 LYS HA H 1 4.422 0.030 . 1 . . . . 72 LYS HA . 11286 1 881 . 1 1 72 72 LYS HB2 H 1 2.075 0.030 . 2 . . . . 72 LYS HB2 . 11286 1 882 . 1 1 72 72 LYS HB3 H 1 1.757 0.030 . 2 . . . . 72 LYS HB3 . 11286 1 883 . 1 1 72 72 LYS HD2 H 1 1.776 0.030 . 1 . . . . 72 LYS HD2 . 11286 1 884 . 1 1 72 72 LYS HD3 H 1 1.776 0.030 . 1 . . . . 72 LYS HD3 . 11286 1 885 . 1 1 72 72 LYS HE2 H 1 3.056 0.030 . 1 . . . . 72 LYS HE2 . 11286 1 886 . 1 1 72 72 LYS HE3 H 1 3.056 0.030 . 1 . . . . 72 LYS HE3 . 11286 1 887 . 1 1 72 72 LYS HG2 H 1 1.628 0.030 . 1 . . . . 72 LYS HG2 . 11286 1 888 . 1 1 72 72 LYS HG3 H 1 1.628 0.030 . 1 . . . . 72 LYS HG3 . 11286 1 889 . 1 1 72 72 LYS C C 13 178.382 0.300 . 1 . . . . 72 LYS C . 11286 1 890 . 1 1 72 72 LYS CA C 13 55.852 0.300 . 1 . . . . 72 LYS CA . 11286 1 891 . 1 1 72 72 LYS CB C 13 33.768 0.300 . 1 . . . . 72 LYS CB . 11286 1 892 . 1 1 72 72 LYS CD C 13 29.168 0.300 . 1 . . . . 72 LYS CD . 11286 1 893 . 1 1 72 72 LYS CE C 13 42.257 0.300 . 1 . . . . 72 LYS CE . 11286 1 894 . 1 1 72 72 LYS CG C 13 25.508 0.300 . 1 . . . . 72 LYS CG . 11286 1 895 . 1 1 72 72 LYS N N 15 120.779 0.300 . 1 . . . . 72 LYS N . 11286 1 896 . 1 1 73 73 GLU H H 1 9.139 0.030 . 1 . . . . 73 GLU H . 11286 1 897 . 1 1 73 73 GLU HA H 1 3.746 0.030 . 1 . . . . 73 GLU HA . 11286 1 898 . 1 1 73 73 GLU HB2 H 1 2.239 0.030 . 2 . . . . 73 GLU HB2 . 11286 1 899 . 1 1 73 73 GLU HB3 H 1 2.062 0.030 . 2 . . . . 73 GLU HB3 . 11286 1 900 . 1 1 73 73 GLU HG2 H 1 2.732 0.030 . 2 . . . . 73 GLU HG2 . 11286 1 901 . 1 1 73 73 GLU HG3 H 1 2.440 0.030 . 2 . . . . 73 GLU HG3 . 11286 1 902 . 1 1 73 73 GLU C C 13 177.652 0.300 . 1 . . . . 73 GLU C . 11286 1 903 . 1 1 73 73 GLU CA C 13 60.937 0.300 . 1 . . . . 73 GLU CA . 11286 1 904 . 1 1 73 73 GLU CB C 13 29.746 0.300 . 1 . . . . 73 GLU CB . 11286 1 905 . 1 1 73 73 GLU CG C 13 36.236 0.300 . 1 . . . . 73 GLU CG . 11286 1 906 . 1 1 73 73 GLU N N 15 124.678 0.300 . 1 . . . . 73 GLU N . 11286 1 907 . 1 1 74 74 GLU H H 1 9.674 0.030 . 1 . . . . 74 GLU H . 11286 1 908 . 1 1 74 74 GLU HA H 1 3.816 0.030 . 1 . . . . 74 GLU HA . 11286 1 909 . 1 1 74 74 GLU HB2 H 1 1.841 0.030 . 2 . . . . 74 GLU HB2 . 11286 1 910 . 1 1 74 74 GLU HB3 H 1 1.771 0.030 . 2 . . . . 74 GLU HB3 . 11286 1 911 . 1 1 74 74 GLU HG2 H 1 2.108 0.030 . 2 . . . . 74 GLU HG2 . 11286 1 912 . 1 1 74 74 GLU HG3 H 1 1.807 0.030 . 2 . . . . 74 GLU HG3 . 11286 1 913 . 1 1 74 74 GLU C C 13 178.103 0.300 . 1 . . . . 74 GLU C . 11286 1 914 . 1 1 74 74 GLU CA C 13 60.463 0.300 . 1 . . . . 74 GLU CA . 11286 1 915 . 1 1 74 74 GLU CB C 13 28.783 0.300 . 1 . . . . 74 GLU CB . 11286 1 916 . 1 1 74 74 GLU CG C 13 36.001 0.300 . 1 . . . . 74 GLU CG . 11286 1 917 . 1 1 74 74 GLU N N 15 115.299 0.300 . 1 . . . . 74 GLU N . 11286 1 918 . 1 1 75 75 VAL H H 1 6.779 0.030 . 1 . . . . 75 VAL H . 11286 1 919 . 1 1 75 75 VAL HA H 1 3.564 0.030 . 1 . . . . 75 VAL HA . 11286 1 920 . 1 1 75 75 VAL HB H 1 2.123 0.030 . 1 . . . . 75 VAL HB . 11286 1 921 . 1 1 75 75 VAL HG11 H 1 1.027 0.030 . 1 . . . . 75 VAL HG1 . 11286 1 922 . 1 1 75 75 VAL HG12 H 1 1.027 0.030 . 1 . . . . 75 VAL HG1 . 11286 1 923 . 1 1 75 75 VAL HG13 H 1 1.027 0.030 . 1 . . . . 75 VAL HG1 . 11286 1 924 . 1 1 75 75 VAL HG21 H 1 1.055 0.030 . 1 . . . . 75 VAL HG2 . 11286 1 925 . 1 1 75 75 VAL HG22 H 1 1.055 0.030 . 1 . . . . 75 VAL HG2 . 11286 1 926 . 1 1 75 75 VAL HG23 H 1 1.055 0.030 . 1 . . . . 75 VAL HG2 . 11286 1 927 . 1 1 75 75 VAL C C 13 175.907 0.300 . 1 . . . . 75 VAL C . 11286 1 928 . 1 1 75 75 VAL CA C 13 66.160 0.300 . 1 . . . . 75 VAL CA . 11286 1 929 . 1 1 75 75 VAL CB C 13 32.511 0.300 . 1 . . . . 75 VAL CB . 11286 1 930 . 1 1 75 75 VAL CG1 C 13 22.073 0.300 . 2 . . . . 75 VAL CG1 . 11286 1 931 . 1 1 75 75 VAL CG2 C 13 23.191 0.300 . 2 . . . . 75 VAL CG2 . 11286 1 932 . 1 1 75 75 VAL N N 15 120.452 0.300 . 1 . . . . 75 VAL N . 11286 1 933 . 1 1 76 76 PHE H H 1 8.187 0.030 . 1 . . . . 76 PHE H . 11286 1 934 . 1 1 76 76 PHE HA H 1 4.077 0.030 . 1 . . . . 76 PHE HA . 11286 1 935 . 1 1 76 76 PHE HB2 H 1 3.315 0.030 . 2 . . . . 76 PHE HB2 . 11286 1 936 . 1 1 76 76 PHE HB3 H 1 2.641 0.030 . 2 . . . . 76 PHE HB3 . 11286 1 937 . 1 1 76 76 PHE HZ H 1 5.932 0.030 . 1 . . . . 76 PHE HZ . 11286 1 938 . 1 1 76 76 PHE C C 13 176.920 0.300 . 1 . . . . 76 PHE C . 11286 1 939 . 1 1 76 76 PHE CA C 13 61.734 0.300 . 1 . . . . 76 PHE CA . 11286 1 940 . 1 1 76 76 PHE CB C 13 39.080 0.300 . 1 . . . . 76 PHE CB . 11286 1 941 . 1 1 76 76 PHE CZ C 13 129.284 0.300 . 1 . . . . 76 PHE CZ . 11286 1 942 . 1 1 76 76 PHE N N 15 121.045 0.300 . 1 . . . . 76 PHE N . 11286 1 943 . 1 1 77 77 TRP H H 1 8.013 0.030 . 1 . . . . 77 TRP H . 11286 1 944 . 1 1 77 77 TRP HA H 1 5.006 0.030 . 1 . . . . 77 TRP HA . 11286 1 945 . 1 1 77 77 TRP HB2 H 1 4.032 0.030 . 2 . . . . 77 TRP HB2 . 11286 1 946 . 1 1 77 77 TRP HB3 H 1 3.542 0.030 . 2 . . . . 77 TRP HB3 . 11286 1 947 . 1 1 77 77 TRP HD1 H 1 7.900 0.030 . 1 . . . . 77 TRP HD1 . 11286 1 948 . 1 1 77 77 TRP HE1 H 1 11.404 0.030 . 1 . . . . 77 TRP HE1 . 11286 1 949 . 1 1 77 77 TRP HE3 H 1 7.853 0.030 . 1 . . . . 77 TRP HE3 . 11286 1 950 . 1 1 77 77 TRP HH2 H 1 7.006 0.030 . 1 . . . . 77 TRP HH2 . 11286 1 951 . 1 1 77 77 TRP HZ2 H 1 7.304 0.030 . 1 . . . . 77 TRP HZ2 . 11286 1 952 . 1 1 77 77 TRP HZ3 H 1 6.831 0.030 . 1 . . . . 77 TRP HZ3 . 11286 1 953 . 1 1 77 77 TRP C C 13 177.494 0.300 . 1 . . . . 77 TRP C . 11286 1 954 . 1 1 77 77 TRP CA C 13 59.350 0.300 . 1 . . . . 77 TRP CA . 11286 1 955 . 1 1 77 77 TRP CB C 13 30.546 0.300 . 1 . . . . 77 TRP CB . 11286 1 956 . 1 1 77 77 TRP CD1 C 13 130.232 0.300 . 1 . . . . 77 TRP CD1 . 11286 1 957 . 1 1 77 77 TRP CE3 C 13 122.386 0.300 . 1 . . . . 77 TRP CE3 . 11286 1 958 . 1 1 77 77 TRP CH2 C 13 124.257 0.300 . 1 . . . . 77 TRP CH2 . 11286 1 959 . 1 1 77 77 TRP CZ2 C 13 113.909 0.300 . 1 . . . . 77 TRP CZ2 . 11286 1 960 . 1 1 77 77 TRP CZ3 C 13 121.864 0.300 . 1 . . . . 77 TRP CZ3 . 11286 1 961 . 1 1 77 77 TRP N N 15 114.563 0.300 . 1 . . . . 77 TRP N . 11286 1 962 . 1 1 77 77 TRP NE1 N 15 129.457 0.300 . 1 . . . . 77 TRP NE1 . 11286 1 963 . 1 1 78 78 ARG H H 1 8.122 0.030 . 1 . . . . 78 ARG H . 11286 1 964 . 1 1 78 78 ARG HA H 1 2.581 0.030 . 1 . . . . 78 ARG HA . 11286 1 965 . 1 1 78 78 ARG HB2 H 1 1.895 0.030 . 2 . . . . 78 ARG HB2 . 11286 1 966 . 1 1 78 78 ARG HB3 H 1 1.806 0.030 . 2 . . . . 78 ARG HB3 . 11286 1 967 . 1 1 78 78 ARG HD2 H 1 3.478 0.030 . 2 . . . . 78 ARG HD2 . 11286 1 968 . 1 1 78 78 ARG HD3 H 1 3.247 0.030 . 2 . . . . 78 ARG HD3 . 11286 1 969 . 1 1 78 78 ARG HE H 1 7.379 0.030 . 1 . . . . 78 ARG HE . 11286 1 970 . 1 1 78 78 ARG HG2 H 1 1.886 0.030 . 2 . . . . 78 ARG HG2 . 11286 1 971 . 1 1 78 78 ARG HG3 H 1 1.326 0.030 . 2 . . . . 78 ARG HG3 . 11286 1 972 . 1 1 78 78 ARG C C 13 178.312 0.300 . 1 . . . . 78 ARG C . 11286 1 973 . 1 1 78 78 ARG CA C 13 60.508 0.300 . 1 . . . . 78 ARG CA . 11286 1 974 . 1 1 78 78 ARG CB C 13 28.589 0.300 . 1 . . . . 78 ARG CB . 11286 1 975 . 1 1 78 78 ARG CD C 13 42.148 0.300 . 1 . . . . 78 ARG CD . 11286 1 976 . 1 1 78 78 ARG CG C 13 27.302 0.300 . 1 . . . . 78 ARG CG . 11286 1 977 . 1 1 78 78 ARG N N 15 123.675 0.300 . 1 . . . . 78 ARG N . 11286 1 978 . 1 1 78 78 ARG NE N 15 81.345 0.300 . 1 . . . . 78 ARG NE . 11286 1 979 . 1 1 79 79 ASN H H 1 8.612 0.030 . 1 . . . . 79 ASN H . 11286 1 980 . 1 1 79 79 ASN HA H 1 4.191 0.030 . 1 . . . . 79 ASN HA . 11286 1 981 . 1 1 79 79 ASN HB2 H 1 2.973 0.030 . 2 . . . . 79 ASN HB2 . 11286 1 982 . 1 1 79 79 ASN HB3 H 1 2.428 0.030 . 2 . . . . 79 ASN HB3 . 11286 1 983 . 1 1 79 79 ASN HD21 H 1 7.008 0.030 . 2 . . . . 79 ASN HD21 . 11286 1 984 . 1 1 79 79 ASN HD22 H 1 6.806 0.030 . 2 . . . . 79 ASN HD22 . 11286 1 985 . 1 1 79 79 ASN C C 13 177.289 0.300 . 1 . . . . 79 ASN C . 11286 1 986 . 1 1 79 79 ASN CA C 13 55.973 0.300 . 1 . . . . 79 ASN CA . 11286 1 987 . 1 1 79 79 ASN CB C 13 36.158 0.300 . 1 . . . . 79 ASN CB . 11286 1 988 . 1 1 79 79 ASN N N 15 119.140 0.300 . 1 . . . . 79 ASN N . 11286 1 989 . 1 1 79 79 ASN ND2 N 15 109.041 0.300 . 1 . . . . 79 ASN ND2 . 11286 1 990 . 1 1 80 80 TYR H H 1 7.869 0.030 . 1 . . . . 80 TYR H . 11286 1 991 . 1 1 80 80 TYR HA H 1 3.607 0.030 . 1 . . . . 80 TYR HA . 11286 1 992 . 1 1 80 80 TYR HB2 H 1 2.823 0.030 . 2 . . . . 80 TYR HB2 . 11286 1 993 . 1 1 80 80 TYR HB3 H 1 2.635 0.030 . 2 . . . . 80 TYR HB3 . 11286 1 994 . 1 1 80 80 TYR HD1 H 1 6.090 0.030 . 1 . . . . 80 TYR HD1 . 11286 1 995 . 1 1 80 80 TYR HD2 H 1 6.090 0.030 . 1 . . . . 80 TYR HD2 . 11286 1 996 . 1 1 80 80 TYR HE1 H 1 6.499 0.030 . 1 . . . . 80 TYR HE1 . 11286 1 997 . 1 1 80 80 TYR HE2 H 1 6.499 0.030 . 1 . . . . 80 TYR HE2 . 11286 1 998 . 1 1 80 80 TYR C C 13 177.682 0.300 . 1 . . . . 80 TYR C . 11286 1 999 . 1 1 80 80 TYR CA C 13 61.476 0.300 . 1 . . . . 80 TYR CA . 11286 1 1000 . 1 1 80 80 TYR CB C 13 38.961 0.300 . 1 . . . . 80 TYR CB . 11286 1 1001 . 1 1 80 80 TYR CD1 C 13 132.753 0.300 . 1 . . . . 80 TYR CD1 . 11286 1 1002 . 1 1 80 80 TYR CD2 C 13 132.753 0.300 . 1 . . . . 80 TYR CD2 . 11286 1 1003 . 1 1 80 80 TYR CE1 C 13 117.788 0.300 . 1 . . . . 80 TYR CE1 . 11286 1 1004 . 1 1 80 80 TYR CE2 C 13 117.788 0.300 . 1 . . . . 80 TYR CE2 . 11286 1 1005 . 1 1 80 80 TYR N N 15 120.595 0.300 . 1 . . . . 80 TYR N . 11286 1 1006 . 1 1 81 81 PHE H H 1 9.466 0.030 . 1 . . . . 81 PHE H . 11286 1 1007 . 1 1 81 81 PHE HA H 1 4.089 0.030 . 1 . . . . 81 PHE HA . 11286 1 1008 . 1 1 81 81 PHE HB2 H 1 3.546 0.030 . 2 . . . . 81 PHE HB2 . 11286 1 1009 . 1 1 81 81 PHE HB3 H 1 3.424 0.030 . 2 . . . . 81 PHE HB3 . 11286 1 1010 . 1 1 81 81 PHE HD1 H 1 7.889 0.030 . 1 . . . . 81 PHE HD1 . 11286 1 1011 . 1 1 81 81 PHE HD2 H 1 7.889 0.030 . 1 . . . . 81 PHE HD2 . 11286 1 1012 . 1 1 81 81 PHE HE1 H 1 7.518 0.030 . 1 . . . . 81 PHE HE1 . 11286 1 1013 . 1 1 81 81 PHE HE2 H 1 7.518 0.030 . 1 . . . . 81 PHE HE2 . 11286 1 1014 . 1 1 81 81 PHE HZ H 1 7.186 0.030 . 1 . . . . 81 PHE HZ . 11286 1 1015 . 1 1 81 81 PHE C C 13 179.485 0.300 . 1 . . . . 81 PHE C . 11286 1 1016 . 1 1 81 81 PHE CA C 13 63.439 0.300 . 1 . . . . 81 PHE CA . 11286 1 1017 . 1 1 81 81 PHE CB C 13 37.010 0.300 . 1 . . . . 81 PHE CB . 11286 1 1018 . 1 1 81 81 PHE CD1 C 13 132.247 0.300 . 1 . . . . 81 PHE CD1 . 11286 1 1019 . 1 1 81 81 PHE CD2 C 13 132.247 0.300 . 1 . . . . 81 PHE CD2 . 11286 1 1020 . 1 1 81 81 PHE CE1 C 13 131.517 0.300 . 1 . . . . 81 PHE CE1 . 11286 1 1021 . 1 1 81 81 PHE CE2 C 13 131.517 0.300 . 1 . . . . 81 PHE CE2 . 11286 1 1022 . 1 1 81 81 PHE CZ C 13 129.779 0.300 . 1 . . . . 81 PHE CZ . 11286 1 1023 . 1 1 81 81 PHE N N 15 115.869 0.300 . 1 . . . . 81 PHE N . 11286 1 1024 . 1 1 82 82 TYR H H 1 8.596 0.030 . 1 . . . . 82 TYR H . 11286 1 1025 . 1 1 82 82 TYR HA H 1 3.190 0.030 . 1 . . . . 82 TYR HA . 11286 1 1026 . 1 1 82 82 TYR HB2 H 1 2.795 0.030 . 2 . . . . 82 TYR HB2 . 11286 1 1027 . 1 1 82 82 TYR HB3 H 1 2.353 0.030 . 2 . . . . 82 TYR HB3 . 11286 1 1028 . 1 1 82 82 TYR HD1 H 1 6.378 0.030 . 1 . . . . 82 TYR HD1 . 11286 1 1029 . 1 1 82 82 TYR HD2 H 1 6.378 0.030 . 1 . . . . 82 TYR HD2 . 11286 1 1030 . 1 1 82 82 TYR HE1 H 1 6.590 0.030 . 1 . . . . 82 TYR HE1 . 11286 1 1031 . 1 1 82 82 TYR HE2 H 1 6.590 0.030 . 1 . . . . 82 TYR HE2 . 11286 1 1032 . 1 1 82 82 TYR C C 13 177.342 0.300 . 1 . . . . 82 TYR C . 11286 1 1033 . 1 1 82 82 TYR CA C 13 60.780 0.300 . 1 . . . . 82 TYR CA . 11286 1 1034 . 1 1 82 82 TYR CB C 13 37.158 0.300 . 1 . . . . 82 TYR CB . 11286 1 1035 . 1 1 82 82 TYR CD1 C 13 132.579 0.300 . 1 . . . . 82 TYR CD1 . 11286 1 1036 . 1 1 82 82 TYR CD2 C 13 132.579 0.300 . 1 . . . . 82 TYR CD2 . 11286 1 1037 . 1 1 82 82 TYR CE1 C 13 117.798 0.300 . 1 . . . . 82 TYR CE1 . 11286 1 1038 . 1 1 82 82 TYR CE2 C 13 117.798 0.300 . 1 . . . . 82 TYR CE2 . 11286 1 1039 . 1 1 82 82 TYR N N 15 124.651 0.300 . 1 . . . . 82 TYR N . 11286 1 1040 . 1 1 83 83 ARG H H 1 7.076 0.030 . 1 . . . . 83 ARG H . 11286 1 1041 . 1 1 83 83 ARG HA H 1 3.415 0.030 . 1 . . . . 83 ARG HA . 11286 1 1042 . 1 1 83 83 ARG HB2 H 1 1.688 0.030 . 2 . . . . 83 ARG HB2 . 11286 1 1043 . 1 1 83 83 ARG HB3 H 1 1.580 0.030 . 2 . . . . 83 ARG HB3 . 11286 1 1044 . 1 1 83 83 ARG HD2 H 1 3.174 0.030 . 2 . . . . 83 ARG HD2 . 11286 1 1045 . 1 1 83 83 ARG HD3 H 1 3.028 0.030 . 2 . . . . 83 ARG HD3 . 11286 1 1046 . 1 1 83 83 ARG HG2 H 1 1.711 0.030 . 1 . . . . 83 ARG HG2 . 11286 1 1047 . 1 1 83 83 ARG HG3 H 1 1.711 0.030 . 1 . . . . 83 ARG HG3 . 11286 1 1048 . 1 1 83 83 ARG C C 13 179.531 0.300 . 1 . . . . 83 ARG C . 11286 1 1049 . 1 1 83 83 ARG CA C 13 59.714 0.300 . 1 . . . . 83 ARG CA . 11286 1 1050 . 1 1 83 83 ARG CB C 13 28.869 0.300 . 1 . . . . 83 ARG CB . 11286 1 1051 . 1 1 83 83 ARG CD C 13 43.029 0.300 . 1 . . . . 83 ARG CD . 11286 1 1052 . 1 1 83 83 ARG CG C 13 28.904 0.300 . 1 . . . . 83 ARG CG . 11286 1 1053 . 1 1 83 83 ARG N N 15 120.281 0.300 . 1 . . . . 83 ARG N . 11286 1 1054 . 1 1 84 84 VAL H H 1 8.229 0.030 . 1 . . . . 84 VAL H . 11286 1 1055 . 1 1 84 84 VAL HA H 1 3.162 0.030 . 1 . . . . 84 VAL HA . 11286 1 1056 . 1 1 84 84 VAL HB H 1 1.993 0.030 . 1 . . . . 84 VAL HB . 11286 1 1057 . 1 1 84 84 VAL HG11 H 1 0.867 0.030 . 1 . . . . 84 VAL HG1 . 11286 1 1058 . 1 1 84 84 VAL HG12 H 1 0.867 0.030 . 1 . . . . 84 VAL HG1 . 11286 1 1059 . 1 1 84 84 VAL HG13 H 1 0.867 0.030 . 1 . . . . 84 VAL HG1 . 11286 1 1060 . 1 1 84 84 VAL HG21 H 1 0.147 0.030 . 1 . . . . 84 VAL HG2 . 11286 1 1061 . 1 1 84 84 VAL HG22 H 1 0.147 0.030 . 1 . . . . 84 VAL HG2 . 11286 1 1062 . 1 1 84 84 VAL HG23 H 1 0.147 0.030 . 1 . . . . 84 VAL HG2 . 11286 1 1063 . 1 1 84 84 VAL C C 13 177.785 0.300 . 1 . . . . 84 VAL C . 11286 1 1064 . 1 1 84 84 VAL CA C 13 67.154 0.300 . 1 . . . . 84 VAL CA . 11286 1 1065 . 1 1 84 84 VAL CB C 13 31.830 0.300 . 1 . . . . 84 VAL CB . 11286 1 1066 . 1 1 84 84 VAL CG1 C 13 21.411 0.300 . 2 . . . . 84 VAL CG1 . 11286 1 1067 . 1 1 84 84 VAL CG2 C 13 22.657 0.300 . 2 . . . . 84 VAL CG2 . 11286 1 1068 . 1 1 84 84 VAL N N 15 121.043 0.300 . 1 . . . . 84 VAL N . 11286 1 1069 . 1 1 85 85 SER H H 1 8.134 0.030 . 1 . . . . 85 SER H . 11286 1 1070 . 1 1 85 85 SER HA H 1 4.165 0.030 . 1 . . . . 85 SER HA . 11286 1 1071 . 1 1 85 85 SER HB2 H 1 4.205 0.030 . 2 . . . . 85 SER HB2 . 11286 1 1072 . 1 1 85 85 SER HB3 H 1 4.101 0.030 . 2 . . . . 85 SER HB3 . 11286 1 1073 . 1 1 85 85 SER C C 13 176.381 0.300 . 1 . . . . 85 SER C . 11286 1 1074 . 1 1 85 85 SER CA C 13 61.947 0.300 . 1 . . . . 85 SER CA . 11286 1 1075 . 1 1 85 85 SER CB C 13 62.467 0.300 . 1 . . . . 85 SER CB . 11286 1 1076 . 1 1 85 85 SER N N 15 116.235 0.300 . 1 . . . . 85 SER N . 11286 1 1077 . 1 1 86 86 LEU H H 1 7.112 0.030 . 1 . . . . 86 LEU H . 11286 1 1078 . 1 1 86 86 LEU HA H 1 3.926 0.030 . 1 . . . . 86 LEU HA . 11286 1 1079 . 1 1 86 86 LEU HB2 H 1 1.590 0.030 . 2 . . . . 86 LEU HB2 . 11286 1 1080 . 1 1 86 86 LEU HB3 H 1 1.283 0.030 . 2 . . . . 86 LEU HB3 . 11286 1 1081 . 1 1 86 86 LEU HD11 H 1 0.499 0.030 . 1 . . . . 86 LEU HD1 . 11286 1 1082 . 1 1 86 86 LEU HD12 H 1 0.499 0.030 . 1 . . . . 86 LEU HD1 . 11286 1 1083 . 1 1 86 86 LEU HD13 H 1 0.499 0.030 . 1 . . . . 86 LEU HD1 . 11286 1 1084 . 1 1 86 86 LEU HD21 H 1 0.585 0.030 . 1 . . . . 86 LEU HD2 . 11286 1 1085 . 1 1 86 86 LEU HD22 H 1 0.585 0.030 . 1 . . . . 86 LEU HD2 . 11286 1 1086 . 1 1 86 86 LEU HD23 H 1 0.585 0.030 . 1 . . . . 86 LEU HD2 . 11286 1 1087 . 1 1 86 86 LEU HG H 1 1.186 0.030 . 1 . . . . 86 LEU HG . 11286 1 1088 . 1 1 86 86 LEU C C 13 180.050 0.300 . 1 . . . . 86 LEU C . 11286 1 1089 . 1 1 86 86 LEU CA C 13 57.205 0.300 . 1 . . . . 86 LEU CA . 11286 1 1090 . 1 1 86 86 LEU CB C 13 41.534 0.300 . 1 . . . . 86 LEU CB . 11286 1 1091 . 1 1 86 86 LEU CD1 C 13 24.945 0.300 . 2 . . . . 86 LEU CD1 . 11286 1 1092 . 1 1 86 86 LEU CD2 C 13 21.700 0.300 . 2 . . . . 86 LEU CD2 . 11286 1 1093 . 1 1 86 86 LEU CG C 13 25.737 0.300 . 1 . . . . 86 LEU CG . 11286 1 1094 . 1 1 86 86 LEU N N 15 121.688 0.300 . 1 . . . . 86 LEU N . 11286 1 1095 . 1 1 87 87 ILE H H 1 7.333 0.030 . 1 . . . . 87 ILE H . 11286 1 1096 . 1 1 87 87 ILE HA H 1 3.652 0.030 . 1 . . . . 87 ILE HA . 11286 1 1097 . 1 1 87 87 ILE HB H 1 1.858 0.030 . 1 . . . . 87 ILE HB . 11286 1 1098 . 1 1 87 87 ILE HD11 H 1 0.655 0.030 . 1 . . . . 87 ILE HD1 . 11286 1 1099 . 1 1 87 87 ILE HD12 H 1 0.655 0.030 . 1 . . . . 87 ILE HD1 . 11286 1 1100 . 1 1 87 87 ILE HD13 H 1 0.655 0.030 . 1 . . . . 87 ILE HD1 . 11286 1 1101 . 1 1 87 87 ILE HG12 H 1 1.595 0.030 . 2 . . . . 87 ILE HG12 . 11286 1 1102 . 1 1 87 87 ILE HG13 H 1 1.005 0.030 . 2 . . . . 87 ILE HG13 . 11286 1 1103 . 1 1 87 87 ILE HG21 H 1 0.882 0.030 . 1 . . . . 87 ILE HG2 . 11286 1 1104 . 1 1 87 87 ILE HG22 H 1 0.882 0.030 . 1 . . . . 87 ILE HG2 . 11286 1 1105 . 1 1 87 87 ILE HG23 H 1 0.882 0.030 . 1 . . . . 87 ILE HG2 . 11286 1 1106 . 1 1 87 87 ILE C C 13 178.690 0.300 . 1 . . . . 87 ILE C . 11286 1 1107 . 1 1 87 87 ILE CA C 13 64.438 0.300 . 1 . . . . 87 ILE CA . 11286 1 1108 . 1 1 87 87 ILE CB C 13 38.373 0.300 . 1 . . . . 87 ILE CB . 11286 1 1109 . 1 1 87 87 ILE CD1 C 13 14.610 0.300 . 1 . . . . 87 ILE CD1 . 11286 1 1110 . 1 1 87 87 ILE CG1 C 13 28.873 0.300 . 1 . . . . 87 ILE CG1 . 11286 1 1111 . 1 1 87 87 ILE CG2 C 13 18.516 0.300 . 1 . . . . 87 ILE CG2 . 11286 1 1112 . 1 1 87 87 ILE N N 15 120.958 0.300 . 1 . . . . 87 ILE N . 11286 1 1113 . 1 1 88 88 LYS H H 1 8.110 0.030 . 1 . . . . 88 LYS H . 11286 1 1114 . 1 1 88 88 LYS HA H 1 3.947 0.030 . 1 . . . . 88 LYS HA . 11286 1 1115 . 1 1 88 88 LYS HB2 H 1 1.907 0.030 . 2 . . . . 88 LYS HB2 . 11286 1 1116 . 1 1 88 88 LYS HB3 H 1 1.817 0.030 . 2 . . . . 88 LYS HB3 . 11286 1 1117 . 1 1 88 88 LYS HD2 H 1 1.650 0.030 . 1 . . . . 88 LYS HD2 . 11286 1 1118 . 1 1 88 88 LYS HD3 H 1 1.650 0.030 . 1 . . . . 88 LYS HD3 . 11286 1 1119 . 1 1 88 88 LYS HE2 H 1 2.881 0.030 . 2 . . . . 88 LYS HE2 . 11286 1 1120 . 1 1 88 88 LYS HE3 H 1 2.813 0.030 . 2 . . . . 88 LYS HE3 . 11286 1 1121 . 1 1 88 88 LYS HG2 H 1 1.601 0.030 . 2 . . . . 88 LYS HG2 . 11286 1 1122 . 1 1 88 88 LYS HG3 H 1 1.292 0.030 . 2 . . . . 88 LYS HG3 . 11286 1 1123 . 1 1 88 88 LYS C C 13 178.184 0.300 . 1 . . . . 88 LYS C . 11286 1 1124 . 1 1 88 88 LYS CA C 13 59.417 0.300 . 1 . . . . 88 LYS CA . 11286 1 1125 . 1 1 88 88 LYS CB C 13 32.523 0.300 . 1 . . . . 88 LYS CB . 11286 1 1126 . 1 1 88 88 LYS CD C 13 29.510 0.300 . 1 . . . . 88 LYS CD . 11286 1 1127 . 1 1 88 88 LYS CE C 13 41.905 0.300 . 1 . . . . 88 LYS CE . 11286 1 1128 . 1 1 88 88 LYS CG C 13 26.269 0.300 . 1 . . . . 88 LYS CG . 11286 1 1129 . 1 1 88 88 LYS N N 15 118.727 0.300 . 1 . . . . 88 LYS N . 11286 1 1130 . 1 1 89 89 GLN H H 1 8.065 0.030 . 1 . . . . 89 GLN H . 11286 1 1131 . 1 1 89 89 GLN HA H 1 4.222 0.030 . 1 . . . . 89 GLN HA . 11286 1 1132 . 1 1 89 89 GLN HB2 H 1 2.154 0.030 . 1 . . . . 89 GLN HB2 . 11286 1 1133 . 1 1 89 89 GLN HB3 H 1 2.154 0.030 . 1 . . . . 89 GLN HB3 . 11286 1 1134 . 1 1 89 89 GLN HG2 H 1 2.499 0.030 . 2 . . . . 89 GLN HG2 . 11286 1 1135 . 1 1 89 89 GLN HG3 H 1 2.432 0.030 . 2 . . . . 89 GLN HG3 . 11286 1 1136 . 1 1 89 89 GLN C C 13 177.275 0.300 . 1 . . . . 89 GLN C . 11286 1 1137 . 1 1 89 89 GLN CA C 13 57.402 0.300 . 1 . . . . 89 GLN CA . 11286 1 1138 . 1 1 89 89 GLN CB C 13 28.838 0.300 . 1 . . . . 89 GLN CB . 11286 1 1139 . 1 1 89 89 GLN CG C 13 34.132 0.300 . 1 . . . . 89 GLN CG . 11286 1 1140 . 1 1 89 89 GLN N N 15 117.875 0.300 . 1 . . . . 89 GLN N . 11286 1 1141 . 1 1 90 90 SER H H 1 7.911 0.030 . 1 . . . . 90 SER H . 11286 1 1142 . 1 1 90 90 SER HA H 1 4.329 0.030 . 1 . . . . 90 SER HA . 11286 1 1143 . 1 1 90 90 SER HB2 H 1 3.961 0.030 . 1 . . . . 90 SER HB2 . 11286 1 1144 . 1 1 90 90 SER HB3 H 1 3.961 0.030 . 1 . . . . 90 SER HB3 . 11286 1 1145 . 1 1 90 90 SER C C 13 174.886 0.300 . 1 . . . . 90 SER C . 11286 1 1146 . 1 1 90 90 SER CA C 13 59.872 0.300 . 1 . . . . 90 SER CA . 11286 1 1147 . 1 1 90 90 SER CB C 13 63.402 0.300 . 1 . . . . 90 SER CB . 11286 1 1148 . 1 1 90 90 SER N N 15 115.148 0.300 . 1 . . . . 90 SER N . 11286 1 1149 . 1 1 91 91 ALA H H 1 7.830 0.030 . 1 . . . . 91 ALA H . 11286 1 1150 . 1 1 91 91 ALA HA H 1 4.328 0.030 . 1 . . . . 91 ALA HA . 11286 1 1151 . 1 1 91 91 ALA HB1 H 1 1.430 0.030 . 1 . . . . 91 ALA HB . 11286 1 1152 . 1 1 91 91 ALA HB2 H 1 1.430 0.030 . 1 . . . . 91 ALA HB . 11286 1 1153 . 1 1 91 91 ALA HB3 H 1 1.430 0.030 . 1 . . . . 91 ALA HB . 11286 1 1154 . 1 1 91 91 ALA C C 13 177.805 0.300 . 1 . . . . 91 ALA C . 11286 1 1155 . 1 1 91 91 ALA CA C 13 52.958 0.300 . 1 . . . . 91 ALA CA . 11286 1 1156 . 1 1 91 91 ALA CB C 13 19.315 0.300 . 1 . . . . 91 ALA CB . 11286 1 1157 . 1 1 91 91 ALA N N 15 124.267 0.300 . 1 . . . . 91 ALA N . 11286 1 1158 . 1 1 92 92 GLN H H 1 8.043 0.030 . 1 . . . . 92 GLN H . 11286 1 1159 . 1 1 92 92 GLN HA H 1 4.292 0.030 . 1 . . . . 92 GLN HA . 11286 1 1160 . 1 1 92 92 GLN HB2 H 1 2.139 0.030 . 2 . . . . 92 GLN HB2 . 11286 1 1161 . 1 1 92 92 GLN HB3 H 1 2.037 0.030 . 2 . . . . 92 GLN HB3 . 11286 1 1162 . 1 1 92 92 GLN HE21 H 1 7.517 0.030 . 2 . . . . 92 GLN HE21 . 11286 1 1163 . 1 1 92 92 GLN HE22 H 1 6.859 0.030 . 2 . . . . 92 GLN HE22 . 11286 1 1164 . 1 1 92 92 GLN HG2 H 1 2.398 0.030 . 1 . . . . 92 GLN HG2 . 11286 1 1165 . 1 1 92 92 GLN HG3 H 1 2.398 0.030 . 1 . . . . 92 GLN HG3 . 11286 1 1166 . 1 1 92 92 GLN C C 13 176.233 0.300 . 1 . . . . 92 GLN C . 11286 1 1167 . 1 1 92 92 GLN CA C 13 56.106 0.300 . 1 . . . . 92 GLN CA . 11286 1 1168 . 1 1 92 92 GLN CB C 13 29.174 0.300 . 1 . . . . 92 GLN CB . 11286 1 1169 . 1 1 92 92 GLN CG C 13 33.974 0.300 . 1 . . . . 92 GLN CG . 11286 1 1170 . 1 1 92 92 GLN N N 15 117.970 0.300 . 1 . . . . 92 GLN N . 11286 1 1171 . 1 1 92 92 GLN NE2 N 15 112.343 0.300 . 1 . . . . 92 GLN NE2 . 11286 1 1172 . 1 1 93 93 LEU H H 1 8.142 0.030 . 1 . . . . 93 LEU H . 11286 1 1173 . 1 1 93 93 LEU HA H 1 4.413 0.030 . 1 . . . . 93 LEU HA . 11286 1 1174 . 1 1 93 93 LEU HB2 H 1 1.716 0.030 . 2 . . . . 93 LEU HB2 . 11286 1 1175 . 1 1 93 93 LEU HB3 H 1 1.624 0.030 . 2 . . . . 93 LEU HB3 . 11286 1 1176 . 1 1 93 93 LEU HD11 H 1 0.938 0.030 . 1 . . . . 93 LEU HD1 . 11286 1 1177 . 1 1 93 93 LEU HD12 H 1 0.938 0.030 . 1 . . . . 93 LEU HD1 . 11286 1 1178 . 1 1 93 93 LEU HD13 H 1 0.938 0.030 . 1 . . . . 93 LEU HD1 . 11286 1 1179 . 1 1 93 93 LEU HD21 H 1 0.877 0.030 . 1 . . . . 93 LEU HD2 . 11286 1 1180 . 1 1 93 93 LEU HD22 H 1 0.877 0.030 . 1 . . . . 93 LEU HD2 . 11286 1 1181 . 1 1 93 93 LEU HD23 H 1 0.877 0.030 . 1 . . . . 93 LEU HD2 . 11286 1 1182 . 1 1 93 93 LEU C C 13 177.764 0.300 . 1 . . . . 93 LEU C . 11286 1 1183 . 1 1 93 93 LEU CA C 13 55.485 0.300 . 1 . . . . 93 LEU CA . 11286 1 1184 . 1 1 93 93 LEU CB C 13 42.364 0.300 . 1 . . . . 93 LEU CB . 11286 1 1185 . 1 1 93 93 LEU CD1 C 13 24.993 0.300 . 2 . . . . 93 LEU CD1 . 11286 1 1186 . 1 1 93 93 LEU CD2 C 13 23.385 0.300 . 2 . . . . 93 LEU CD2 . 11286 1 1187 . 1 1 93 93 LEU CG C 13 27.055 0.300 . 1 . . . . 93 LEU CG . 11286 1 1188 . 1 1 93 93 LEU N N 15 122.382 0.300 . 1 . . . . 93 LEU N . 11286 1 1189 . 1 1 94 94 THR H H 1 8.093 0.030 . 1 . . . . 94 THR H . 11286 1 1190 . 1 1 94 94 THR HA H 1 4.403 0.030 . 1 . . . . 94 THR HA . 11286 1 1191 . 1 1 94 94 THR HB H 1 4.281 0.030 . 1 . . . . 94 THR HB . 11286 1 1192 . 1 1 94 94 THR HG21 H 1 1.194 0.030 . 1 . . . . 94 THR HG2 . 11286 1 1193 . 1 1 94 94 THR HG22 H 1 1.194 0.030 . 1 . . . . 94 THR HG2 . 11286 1 1194 . 1 1 94 94 THR HG23 H 1 1.194 0.030 . 1 . . . . 94 THR HG2 . 11286 1 1195 . 1 1 94 94 THR C C 13 174.555 0.300 . 1 . . . . 94 THR C . 11286 1 1196 . 1 1 94 94 THR CA C 13 61.721 0.300 . 1 . . . . 94 THR CA . 11286 1 1197 . 1 1 94 94 THR CB C 13 69.855 0.300 . 1 . . . . 94 THR CB . 11286 1 1198 . 1 1 94 94 THR CG2 C 13 21.528 0.300 . 1 . . . . 94 THR CG2 . 11286 1 1199 . 1 1 94 94 THR N N 15 113.905 0.300 . 1 . . . . 94 THR N . 11286 1 1200 . 1 1 95 95 SER H H 1 8.267 0.030 . 1 . . . . 95 SER H . 11286 1 1201 . 1 1 95 95 SER HA H 1 4.528 0.030 . 1 . . . . 95 SER HA . 11286 1 1202 . 1 1 95 95 SER HB2 H 1 3.897 0.030 . 1 . . . . 95 SER HB2 . 11286 1 1203 . 1 1 95 95 SER HB3 H 1 3.897 0.030 . 1 . . . . 95 SER HB3 . 11286 1 1204 . 1 1 95 95 SER C C 13 174.535 0.300 . 1 . . . . 95 SER C . 11286 1 1205 . 1 1 95 95 SER CA C 13 58.292 0.300 . 1 . . . . 95 SER CA . 11286 1 1206 . 1 1 95 95 SER CB C 13 64.065 0.300 . 1 . . . . 95 SER CB . 11286 1 1207 . 1 1 95 95 SER N N 15 117.679 0.300 . 1 . . . . 95 SER N . 11286 1 1208 . 1 1 96 96 GLY H H 1 8.242 0.030 . 1 . . . . 96 GLY H . 11286 1 1209 . 1 1 96 96 GLY HA2 H 1 4.110 0.030 . 1 . . . . 96 GLY HA2 . 11286 1 1210 . 1 1 96 96 GLY HA3 H 1 4.110 0.030 . 1 . . . . 96 GLY HA3 . 11286 1 1211 . 1 1 96 96 GLY C C 13 171.788 0.300 . 1 . . . . 96 GLY C . 11286 1 1212 . 1 1 96 96 GLY CA C 13 44.738 0.300 . 1 . . . . 96 GLY CA . 11286 1 1213 . 1 1 96 96 GLY N N 15 110.681 0.300 . 1 . . . . 96 GLY N . 11286 1 1214 . 1 1 97 97 PRO HA H 1 4.476 0.030 . 1 . . . . 97 PRO HA . 11286 1 1215 . 1 1 97 97 PRO HB2 H 1 2.291 0.030 . 2 . . . . 97 PRO HB2 . 11286 1 1216 . 1 1 97 97 PRO HB3 H 1 1.973 0.030 . 2 . . . . 97 PRO HB3 . 11286 1 1217 . 1 1 97 97 PRO HD2 H 1 3.632 0.030 . 1 . . . . 97 PRO HD2 . 11286 1 1218 . 1 1 97 97 PRO HD3 H 1 3.632 0.030 . 1 . . . . 97 PRO HD3 . 11286 1 1219 . 1 1 97 97 PRO HG2 H 1 2.007 0.030 . 1 . . . . 97 PRO HG2 . 11286 1 1220 . 1 1 97 97 PRO HG3 H 1 2.007 0.030 . 1 . . . . 97 PRO HG3 . 11286 1 1221 . 1 1 97 97 PRO CA C 13 63.262 0.300 . 1 . . . . 97 PRO CA . 11286 1 1222 . 1 1 97 97 PRO CB C 13 32.210 0.300 . 1 . . . . 97 PRO CB . 11286 1 1223 . 1 1 97 97 PRO CD C 13 49.799 0.300 . 1 . . . . 97 PRO CD . 11286 1 1224 . 1 1 97 97 PRO CG C 13 27.196 0.300 . 1 . . . . 97 PRO CG . 11286 1 stop_ save_