data_11144 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11144 _Entry.Title ; Solution structure of the DnaJ domain from human Williams-Beuren syndrome chromosome region 18 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _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 T. Tomizawa . . . 11144 2 S. Koshiba . . . 11144 3 M. Inoue . . . 11144 4 T. Kigawa . . . 11144 5 S. Yokoyama . . . 11144 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)' . 11144 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11144 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 11144 '15N chemical shifts' 91 11144 '1H chemical shifts' 586 11144 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 . . 2011-04-01 2010-03-31 original author . 11144 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YUA 'BMRB Entry Tracking System' 11144 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11144 _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 DnaJ domain from human Williams-Beuren syndrome chromosome region 18 protein ; _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 T. Tomizawa . . . 11144 1 2 S. Koshiba . . . 11144 1 3 M. Inoue . . . 11144 1 4 T. Kigawa . . . 11144 1 5 S. Yokoyama . . . 11144 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11144 _Assembly.ID 1 _Assembly.Name 'Williams-Beuren syndrome chromosome region 18 protein' _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 'DnaJ domain' 1 $entity_1 A . yes native no no . . . 11144 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 2yua . . . . . . 11144 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11144 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DnaJ 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 ; GSSGSSGSQGDCSYSRTALY DLLGVPSTATQAQIKAAYYR QCFLYHPDRNSGSAEAAERF TRISQAYVVLGSATLRRKYD RGLLSDEDLRGPGSGPSSG ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2YUA . "Solution Structure Of The Dnaj Domain From Human Williams- Beuren Syndrome Chromosome Region 18 Protein" . . . . . 100.00 99 100.00 100.00 2.71e-62 . . . . 11144 1 2 no DBJ BAB71671 . "unnamed protein product [Homo sapiens]" . . . . . 90.91 226 97.78 97.78 8.16e-54 . . . . 11144 1 3 no GB AAM62307 . "Williams-Beuren syndrome critical region protein 18 [Homo sapiens]" . . . . . 90.91 226 97.78 97.78 8.16e-54 . . . . 11144 1 4 no GB AAS07471 . "unknown [Homo sapiens]" . . . . . 90.91 226 97.78 97.78 8.16e-54 . . . . 11144 1 5 no GB EAW69658 . "Williams Beuren syndrome chromosome region 18 [Homo sapiens]" . . . . . 90.91 226 97.78 97.78 8.16e-54 . . . . 11144 1 6 no REF NP_001181473 . "dnaJ homolog subfamily C member 30 precursor [Macaca mulatta]" . . . . . 90.91 226 97.78 97.78 8.16e-54 . . . . 11144 1 7 no REF NP_115693 . "dnaJ homolog subfamily C member 30 precursor [Homo sapiens]" . . . . . 90.91 226 97.78 97.78 8.16e-54 . . . . 11144 1 8 no REF XP_001145797 . "PREDICTED: dnaJ homolog subfamily C member 30 [Pan troglodytes]" . . . . . 90.91 226 97.78 97.78 7.09e-54 . . . . 11144 1 9 no REF XP_002817906 . "PREDICTED: dnaJ homolog subfamily C member 30 [Pongo abelii]" . . . . . 90.91 226 97.78 97.78 8.61e-54 . . . . 11144 1 10 no REF XP_003815619 . "PREDICTED: dnaJ homolog subfamily C member 30 [Pan paniscus]" . . . . . 90.91 226 97.78 97.78 7.09e-54 . . . . 11144 1 11 no SP Q96LL9 . "RecName: Full=DnaJ homolog subfamily C member 30; AltName: Full=Williams-Beuren syndrome chromosomal region 18 protein" . . . . . 90.91 226 97.78 97.78 8.16e-54 . . . . 11144 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DnaJ domain' . 11144 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 . 11144 1 2 . SER . 11144 1 3 . SER . 11144 1 4 . GLY . 11144 1 5 . SER . 11144 1 6 . SER . 11144 1 7 . GLY . 11144 1 8 . SER . 11144 1 9 . GLN . 11144 1 10 . GLY . 11144 1 11 . ASP . 11144 1 12 . CYS . 11144 1 13 . SER . 11144 1 14 . TYR . 11144 1 15 . SER . 11144 1 16 . ARG . 11144 1 17 . THR . 11144 1 18 . ALA . 11144 1 19 . LEU . 11144 1 20 . TYR . 11144 1 21 . ASP . 11144 1 22 . LEU . 11144 1 23 . LEU . 11144 1 24 . GLY . 11144 1 25 . VAL . 11144 1 26 . PRO . 11144 1 27 . SER . 11144 1 28 . THR . 11144 1 29 . ALA . 11144 1 30 . THR . 11144 1 31 . GLN . 11144 1 32 . ALA . 11144 1 33 . GLN . 11144 1 34 . ILE . 11144 1 35 . LYS . 11144 1 36 . ALA . 11144 1 37 . ALA . 11144 1 38 . TYR . 11144 1 39 . TYR . 11144 1 40 . ARG . 11144 1 41 . GLN . 11144 1 42 . CYS . 11144 1 43 . PHE . 11144 1 44 . LEU . 11144 1 45 . TYR . 11144 1 46 . HIS . 11144 1 47 . PRO . 11144 1 48 . ASP . 11144 1 49 . ARG . 11144 1 50 . ASN . 11144 1 51 . SER . 11144 1 52 . GLY . 11144 1 53 . SER . 11144 1 54 . ALA . 11144 1 55 . GLU . 11144 1 56 . ALA . 11144 1 57 . ALA . 11144 1 58 . GLU . 11144 1 59 . ARG . 11144 1 60 . PHE . 11144 1 61 . THR . 11144 1 62 . ARG . 11144 1 63 . ILE . 11144 1 64 . SER . 11144 1 65 . GLN . 11144 1 66 . ALA . 11144 1 67 . TYR . 11144 1 68 . VAL . 11144 1 69 . VAL . 11144 1 70 . LEU . 11144 1 71 . GLY . 11144 1 72 . SER . 11144 1 73 . ALA . 11144 1 74 . THR . 11144 1 75 . LEU . 11144 1 76 . ARG . 11144 1 77 . ARG . 11144 1 78 . LYS . 11144 1 79 . TYR . 11144 1 80 . ASP . 11144 1 81 . ARG . 11144 1 82 . GLY . 11144 1 83 . LEU . 11144 1 84 . LEU . 11144 1 85 . SER . 11144 1 86 . ASP . 11144 1 87 . GLU . 11144 1 88 . ASP . 11144 1 89 . LEU . 11144 1 90 . ARG . 11144 1 91 . GLY . 11144 1 92 . PRO . 11144 1 93 . GLY . 11144 1 94 . SER . 11144 1 95 . GLY . 11144 1 96 . PRO . 11144 1 97 . SER . 11144 1 98 . SER . 11144 1 99 . GLY . 11144 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 11144 1 . SER 2 2 11144 1 . SER 3 3 11144 1 . GLY 4 4 11144 1 . SER 5 5 11144 1 . SER 6 6 11144 1 . GLY 7 7 11144 1 . SER 8 8 11144 1 . GLN 9 9 11144 1 . GLY 10 10 11144 1 . ASP 11 11 11144 1 . CYS 12 12 11144 1 . SER 13 13 11144 1 . TYR 14 14 11144 1 . SER 15 15 11144 1 . ARG 16 16 11144 1 . THR 17 17 11144 1 . ALA 18 18 11144 1 . LEU 19 19 11144 1 . TYR 20 20 11144 1 . ASP 21 21 11144 1 . LEU 22 22 11144 1 . LEU 23 23 11144 1 . GLY 24 24 11144 1 . VAL 25 25 11144 1 . PRO 26 26 11144 1 . SER 27 27 11144 1 . THR 28 28 11144 1 . ALA 29 29 11144 1 . THR 30 30 11144 1 . GLN 31 31 11144 1 . ALA 32 32 11144 1 . GLN 33 33 11144 1 . ILE 34 34 11144 1 . LYS 35 35 11144 1 . ALA 36 36 11144 1 . ALA 37 37 11144 1 . TYR 38 38 11144 1 . TYR 39 39 11144 1 . ARG 40 40 11144 1 . GLN 41 41 11144 1 . CYS 42 42 11144 1 . PHE 43 43 11144 1 . LEU 44 44 11144 1 . TYR 45 45 11144 1 . HIS 46 46 11144 1 . PRO 47 47 11144 1 . ASP 48 48 11144 1 . ARG 49 49 11144 1 . ASN 50 50 11144 1 . SER 51 51 11144 1 . GLY 52 52 11144 1 . SER 53 53 11144 1 . ALA 54 54 11144 1 . GLU 55 55 11144 1 . ALA 56 56 11144 1 . ALA 57 57 11144 1 . GLU 58 58 11144 1 . ARG 59 59 11144 1 . PHE 60 60 11144 1 . THR 61 61 11144 1 . ARG 62 62 11144 1 . ILE 63 63 11144 1 . SER 64 64 11144 1 . GLN 65 65 11144 1 . ALA 66 66 11144 1 . TYR 67 67 11144 1 . VAL 68 68 11144 1 . VAL 69 69 11144 1 . LEU 70 70 11144 1 . GLY 71 71 11144 1 . SER 72 72 11144 1 . ALA 73 73 11144 1 . THR 74 74 11144 1 . LEU 75 75 11144 1 . ARG 76 76 11144 1 . ARG 77 77 11144 1 . LYS 78 78 11144 1 . TYR 79 79 11144 1 . ASP 80 80 11144 1 . ARG 81 81 11144 1 . GLY 82 82 11144 1 . LEU 83 83 11144 1 . LEU 84 84 11144 1 . SER 85 85 11144 1 . ASP 86 86 11144 1 . GLU 87 87 11144 1 . ASP 88 88 11144 1 . LEU 89 89 11144 1 . ARG 90 90 11144 1 . GLY 91 91 11144 1 . PRO 92 92 11144 1 . GLY 93 93 11144 1 . SER 94 94 11144 1 . GLY 95 95 11144 1 . PRO 96 96 11144 1 . SER 97 97 11144 1 . SER 98 98 11144 1 . GLY 99 99 11144 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 11144 _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 . . . . . . . . . . . . . . . . . . . . . 11144 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 11144 _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' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P050620-25 . . . . . . 11144 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11144 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.14mM Gal-binding lectin U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O,10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Gal-binding lectin' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.14 . . mM . . . . 11144 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11144 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11144 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11144 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11144 1 6 H2O . . . . . . solvent 90 . . % . . . . 11144 1 7 D2O . . . . . . solvent 10 . . % . . . . 11144 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 11144 _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 11144 1 pH 7.0 0.05 pH 11144 1 pressure 1 0.001 atm 11144 1 temperature 296 0.1 K 11144 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11144 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11144 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11144 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11144 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060524 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11144 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11144 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11144 _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.' . . 11144 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11144 3 stop_ save_ save_kujira _Software.Sf_category software _Software.Sf_framecode kujira _Software.Entry_ID 11144 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9825 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11144 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11144 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11144 _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.' . . 11144 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11144 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 11144 _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 11144 _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 . . . 11144 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 11144 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11144 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11144 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 11144 _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 . . . . . . . . . 11144 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11144 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11144 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 11144 _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 13C-separated NOESY' 1 $sample_1 isotropic 11144 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11144 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 . . 11144 1 2 $NMRPipe . . 11144 1 3 $NMRview . . 11144 1 4 $kujira . . 11144 1 5 $CYANA . . 11144 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 7 7 GLY HA2 H 1 4.006 0.030 . 1 . . . . 7 GLY HA2 . 11144 1 2 . 1 1 7 7 GLY HA3 H 1 4.006 0.030 . 1 . . . . 7 GLY HA3 . 11144 1 3 . 1 1 7 7 GLY C C 13 174.296 0.300 . 1 . . . . 7 GLY C . 11144 1 4 . 1 1 7 7 GLY CA C 13 45.377 0.300 . 1 . . . . 7 GLY CA . 11144 1 5 . 1 1 8 8 SER H H 1 8.272 0.030 . 1 . . . . 8 SER H . 11144 1 6 . 1 1 8 8 SER HA H 1 4.466 0.030 . 1 . . . . 8 SER HA . 11144 1 7 . 1 1 8 8 SER HB2 H 1 3.859 0.030 . 1 . . . . 8 SER HB2 . 11144 1 8 . 1 1 8 8 SER HB3 H 1 3.859 0.030 . 1 . . . . 8 SER HB3 . 11144 1 9 . 1 1 8 8 SER C C 13 174.741 0.300 . 1 . . . . 8 SER C . 11144 1 10 . 1 1 8 8 SER CA C 13 58.367 0.300 . 1 . . . . 8 SER CA . 11144 1 11 . 1 1 8 8 SER CB C 13 63.853 0.300 . 1 . . . . 8 SER CB . 11144 1 12 . 1 1 8 8 SER N N 15 115.823 0.300 . 1 . . . . 8 SER N . 11144 1 13 . 1 1 9 9 GLN H H 1 8.510 0.030 . 1 . . . . 9 GLN H . 11144 1 14 . 1 1 9 9 GLN HA H 1 4.341 0.030 . 1 . . . . 9 GLN HA . 11144 1 15 . 1 1 9 9 GLN HB2 H 1 1.997 0.030 . 2 . . . . 9 GLN HB2 . 11144 1 16 . 1 1 9 9 GLN HB3 H 1 2.142 0.030 . 2 . . . . 9 GLN HB3 . 11144 1 17 . 1 1 9 9 GLN HE21 H 1 6.833 0.030 . 2 . . . . 9 GLN HE21 . 11144 1 18 . 1 1 9 9 GLN HE22 H 1 7.510 0.030 . 2 . . . . 9 GLN HE22 . 11144 1 19 . 1 1 9 9 GLN HG2 H 1 2.362 0.030 . 1 . . . . 9 GLN HG2 . 11144 1 20 . 1 1 9 9 GLN HG3 H 1 2.362 0.030 . 1 . . . . 9 GLN HG3 . 11144 1 21 . 1 1 9 9 GLN C C 13 176.421 0.300 . 1 . . . . 9 GLN C . 11144 1 22 . 1 1 9 9 GLN CA C 13 56.237 0.300 . 1 . . . . 9 GLN CA . 11144 1 23 . 1 1 9 9 GLN CB C 13 29.297 0.300 . 1 . . . . 9 GLN CB . 11144 1 24 . 1 1 9 9 GLN CG C 13 33.873 0.300 . 1 . . . . 9 GLN CG . 11144 1 25 . 1 1 9 9 GLN N N 15 122.143 0.300 . 1 . . . . 9 GLN N . 11144 1 26 . 1 1 9 9 GLN NE2 N 15 112.576 0.300 . 1 . . . . 9 GLN NE2 . 11144 1 27 . 1 1 10 10 GLY H H 1 8.364 0.030 . 1 . . . . 10 GLY H . 11144 1 28 . 1 1 10 10 GLY HA2 H 1 3.943 0.030 . 1 . . . . 10 GLY HA2 . 11144 1 29 . 1 1 10 10 GLY HA3 H 1 3.943 0.030 . 1 . . . . 10 GLY HA3 . 11144 1 30 . 1 1 10 10 GLY C C 13 173.789 0.300 . 1 . . . . 10 GLY C . 11144 1 31 . 1 1 10 10 GLY CA C 13 45.329 0.300 . 1 . . . . 10 GLY CA . 11144 1 32 . 1 1 10 10 GLY N N 15 109.765 0.300 . 1 . . . . 10 GLY N . 11144 1 33 . 1 1 11 11 ASP H H 1 8.248 0.030 . 1 . . . . 11 ASP H . 11144 1 34 . 1 1 11 11 ASP HA H 1 4.614 0.030 . 1 . . . . 11 ASP HA . 11144 1 35 . 1 1 11 11 ASP HB2 H 1 2.633 0.030 . 2 . . . . 11 ASP HB2 . 11144 1 36 . 1 1 11 11 ASP HB3 H 1 2.700 0.030 . 2 . . . . 11 ASP HB3 . 11144 1 37 . 1 1 11 11 ASP C C 13 176.143 0.300 . 1 . . . . 11 ASP C . 11144 1 38 . 1 1 11 11 ASP CA C 13 54.325 0.300 . 1 . . . . 11 ASP CA . 11144 1 39 . 1 1 11 11 ASP CB C 13 41.300 0.300 . 1 . . . . 11 ASP CB . 11144 1 40 . 1 1 11 11 ASP N N 15 120.545 0.300 . 1 . . . . 11 ASP N . 11144 1 41 . 1 1 12 12 CYS H H 1 8.357 0.030 . 1 . . . . 12 CYS H . 11144 1 42 . 1 1 12 12 CYS HA H 1 4.514 0.030 . 1 . . . . 12 CYS HA . 11144 1 43 . 1 1 12 12 CYS HB2 H 1 2.872 0.030 . 1 . . . . 12 CYS HB2 . 11144 1 44 . 1 1 12 12 CYS HB3 H 1 2.872 0.030 . 1 . . . . 12 CYS HB3 . 11144 1 45 . 1 1 12 12 CYS C C 13 174.773 0.300 . 1 . . . . 12 CYS C . 11144 1 46 . 1 1 12 12 CYS CA C 13 58.438 0.300 . 1 . . . . 12 CYS CA . 11144 1 47 . 1 1 12 12 CYS CB C 13 27.987 0.300 . 1 . . . . 12 CYS CB . 11144 1 48 . 1 1 12 12 CYS N N 15 119.919 0.300 . 1 . . . . 12 CYS N . 11144 1 49 . 1 1 13 13 SER H H 1 8.611 0.030 . 1 . . . . 13 SER H . 11144 1 50 . 1 1 13 13 SER HA H 1 4.387 0.030 . 1 . . . . 13 SER HA . 11144 1 51 . 1 1 13 13 SER HB2 H 1 3.893 0.030 . 2 . . . . 13 SER HB2 . 11144 1 52 . 1 1 13 13 SER HB3 H 1 3.822 0.030 . 2 . . . . 13 SER HB3 . 11144 1 53 . 1 1 13 13 SER C C 13 173.871 0.300 . 1 . . . . 13 SER C . 11144 1 54 . 1 1 13 13 SER CA C 13 58.933 0.300 . 1 . . . . 13 SER CA . 11144 1 55 . 1 1 13 13 SER CB C 13 63.576 0.300 . 1 . . . . 13 SER CB . 11144 1 56 . 1 1 13 13 SER N N 15 119.365 0.300 . 1 . . . . 13 SER N . 11144 1 57 . 1 1 14 14 TYR H H 1 7.656 0.030 . 1 . . . . 14 TYR H . 11144 1 58 . 1 1 14 14 TYR HA H 1 4.734 0.030 . 1 . . . . 14 TYR HA . 11144 1 59 . 1 1 14 14 TYR HB2 H 1 3.099 0.030 . 2 . . . . 14 TYR HB2 . 11144 1 60 . 1 1 14 14 TYR HB3 H 1 3.032 0.030 . 2 . . . . 14 TYR HB3 . 11144 1 61 . 1 1 14 14 TYR HD1 H 1 7.041 0.030 . 1 . . . . 14 TYR HD1 . 11144 1 62 . 1 1 14 14 TYR HD2 H 1 7.041 0.030 . 1 . . . . 14 TYR HD2 . 11144 1 63 . 1 1 14 14 TYR HE1 H 1 6.705 0.030 . 1 . . . . 14 TYR HE1 . 11144 1 64 . 1 1 14 14 TYR HE2 H 1 6.705 0.030 . 1 . . . . 14 TYR HE2 . 11144 1 65 . 1 1 14 14 TYR C C 13 175.145 0.300 . 1 . . . . 14 TYR C . 11144 1 66 . 1 1 14 14 TYR CA C 13 56.809 0.300 . 1 . . . . 14 TYR CA . 11144 1 67 . 1 1 14 14 TYR CB C 13 39.453 0.300 . 1 . . . . 14 TYR CB . 11144 1 68 . 1 1 14 14 TYR CD1 C 13 133.606 0.300 . 1 . . . . 14 TYR CD1 . 11144 1 69 . 1 1 14 14 TYR CD2 C 13 133.606 0.300 . 1 . . . . 14 TYR CD2 . 11144 1 70 . 1 1 14 14 TYR CE1 C 13 118.442 0.300 . 1 . . . . 14 TYR CE1 . 11144 1 71 . 1 1 14 14 TYR CE2 C 13 118.442 0.300 . 1 . . . . 14 TYR CE2 . 11144 1 72 . 1 1 14 14 TYR N N 15 120.132 0.300 . 1 . . . . 14 TYR N . 11144 1 73 . 1 1 15 15 SER H H 1 8.579 0.030 . 1 . . . . 15 SER H . 11144 1 74 . 1 1 15 15 SER HA H 1 4.573 0.030 . 1 . . . . 15 SER HA . 11144 1 75 . 1 1 15 15 SER HB2 H 1 3.892 0.030 . 2 . . . . 15 SER HB2 . 11144 1 76 . 1 1 15 15 SER HB3 H 1 4.109 0.030 . 2 . . . . 15 SER HB3 . 11144 1 77 . 1 1 15 15 SER C C 13 176.796 0.300 . 1 . . . . 15 SER C . 11144 1 78 . 1 1 15 15 SER CA C 13 57.741 0.300 . 1 . . . . 15 SER CA . 11144 1 79 . 1 1 15 15 SER CB C 13 63.377 0.300 . 1 . . . . 15 SER CB . 11144 1 80 . 1 1 15 15 SER N N 15 114.889 0.300 . 1 . . . . 15 SER N . 11144 1 81 . 1 1 16 16 ARG HA H 1 4.058 0.030 . 1 . . . . 16 ARG HA . 11144 1 82 . 1 1 16 16 ARG HB2 H 1 1.769 0.030 . 2 . . . . 16 ARG HB2 . 11144 1 83 . 1 1 16 16 ARG HB3 H 1 2.027 0.030 . 2 . . . . 16 ARG HB3 . 11144 1 84 . 1 1 16 16 ARG HD2 H 1 3.114 0.030 . 1 . . . . 16 ARG HD2 . 11144 1 85 . 1 1 16 16 ARG HD3 H 1 3.114 0.030 . 1 . . . . 16 ARG HD3 . 11144 1 86 . 1 1 16 16 ARG HG2 H 1 1.606 0.030 . 2 . . . . 16 ARG HG2 . 11144 1 87 . 1 1 16 16 ARG C C 13 174.945 0.300 . 1 . . . . 16 ARG C . 11144 1 88 . 1 1 16 16 ARG CA C 13 57.344 0.300 . 1 . . . . 16 ARG CA . 11144 1 89 . 1 1 16 16 ARG CB C 13 29.925 0.300 . 1 . . . . 16 ARG CB . 11144 1 90 . 1 1 16 16 ARG CD C 13 43.513 0.300 . 1 . . . . 16 ARG CD . 11144 1 91 . 1 1 16 16 ARG CG C 13 27.525 0.300 . 1 . . . . 16 ARG CG . 11144 1 92 . 1 1 17 17 THR H H 1 7.974 0.030 . 1 . . . . 17 THR H . 11144 1 93 . 1 1 17 17 THR HA H 1 4.970 0.030 . 1 . . . . 17 THR HA . 11144 1 94 . 1 1 17 17 THR HB H 1 4.609 0.030 . 1 . . . . 17 THR HB . 11144 1 95 . 1 1 17 17 THR HG21 H 1 1.198 0.030 . 1 . . . . 17 THR HG2 . 11144 1 96 . 1 1 17 17 THR HG22 H 1 1.198 0.030 . 1 . . . . 17 THR HG2 . 11144 1 97 . 1 1 17 17 THR HG23 H 1 1.198 0.030 . 1 . . . . 17 THR HG2 . 11144 1 98 . 1 1 17 17 THR C C 13 176.789 0.300 . 1 . . . . 17 THR C . 11144 1 99 . 1 1 17 17 THR CA C 13 61.762 0.300 . 1 . . . . 17 THR CA . 11144 1 100 . 1 1 17 17 THR CB C 13 69.534 0.300 . 1 . . . . 17 THR CB . 11144 1 101 . 1 1 17 17 THR CG2 C 13 21.945 0.300 . 1 . . . . 17 THR CG2 . 11144 1 102 . 1 1 17 17 THR N N 15 105.531 0.300 . 1 . . . . 17 THR N . 11144 1 103 . 1 1 18 18 ALA H H 1 7.748 0.030 . 1 . . . . 18 ALA H . 11144 1 104 . 1 1 18 18 ALA HA H 1 4.193 0.030 . 1 . . . . 18 ALA HA . 11144 1 105 . 1 1 18 18 ALA HB1 H 1 1.580 0.030 . 1 . . . . 18 ALA HB . 11144 1 106 . 1 1 18 18 ALA HB2 H 1 1.580 0.030 . 1 . . . . 18 ALA HB . 11144 1 107 . 1 1 18 18 ALA HB3 H 1 1.580 0.030 . 1 . . . . 18 ALA HB . 11144 1 108 . 1 1 18 18 ALA C C 13 180.095 0.300 . 1 . . . . 18 ALA C . 11144 1 109 . 1 1 18 18 ALA CA C 13 55.980 0.300 . 1 . . . . 18 ALA CA . 11144 1 110 . 1 1 18 18 ALA CB C 13 19.298 0.300 . 1 . . . . 18 ALA CB . 11144 1 111 . 1 1 18 18 ALA N N 15 125.681 0.300 . 1 . . . . 18 ALA N . 11144 1 112 . 1 1 19 19 LEU H H 1 8.176 0.030 . 1 . . . . 19 LEU H . 11144 1 113 . 1 1 19 19 LEU HA H 1 3.894 0.030 . 1 . . . . 19 LEU HA . 11144 1 114 . 1 1 19 19 LEU HB2 H 1 0.819 0.030 . 2 . . . . 19 LEU HB2 . 11144 1 115 . 1 1 19 19 LEU HB3 H 1 0.938 0.030 . 2 . . . . 19 LEU HB3 . 11144 1 116 . 1 1 19 19 LEU HD11 H 1 -0.049 0.030 . 1 . . . . 19 LEU HD1 . 11144 1 117 . 1 1 19 19 LEU HD12 H 1 -0.049 0.030 . 1 . . . . 19 LEU HD1 . 11144 1 118 . 1 1 19 19 LEU HD13 H 1 -0.049 0.030 . 1 . . . . 19 LEU HD1 . 11144 1 119 . 1 1 19 19 LEU HD21 H 1 0.455 0.030 . 1 . . . . 19 LEU HD2 . 11144 1 120 . 1 1 19 19 LEU HD22 H 1 0.455 0.030 . 1 . . . . 19 LEU HD2 . 11144 1 121 . 1 1 19 19 LEU HD23 H 1 0.455 0.030 . 1 . . . . 19 LEU HD2 . 11144 1 122 . 1 1 19 19 LEU HG H 1 1.445 0.030 . 1 . . . . 19 LEU HG . 11144 1 123 . 1 1 19 19 LEU C C 13 178.031 0.300 . 1 . . . . 19 LEU C . 11144 1 124 . 1 1 19 19 LEU CA C 13 58.229 0.300 . 1 . . . . 19 LEU CA . 11144 1 125 . 1 1 19 19 LEU CB C 13 40.387 0.300 . 1 . . . . 19 LEU CB . 11144 1 126 . 1 1 19 19 LEU CD1 C 13 24.710 0.300 . 2 . . . . 19 LEU CD1 . 11144 1 127 . 1 1 19 19 LEU CD2 C 13 21.302 0.300 . 2 . . . . 19 LEU CD2 . 11144 1 128 . 1 1 19 19 LEU CG C 13 26.429 0.300 . 1 . . . . 19 LEU CG . 11144 1 129 . 1 1 19 19 LEU N N 15 113.910 0.300 . 1 . . . . 19 LEU N . 11144 1 130 . 1 1 20 20 TYR H H 1 6.707 0.030 . 1 . . . . 20 TYR H . 11144 1 131 . 1 1 20 20 TYR HA H 1 3.806 0.030 . 1 . . . . 20 TYR HA . 11144 1 132 . 1 1 20 20 TYR HB2 H 1 2.901 0.030 . 2 . . . . 20 TYR HB2 . 11144 1 133 . 1 1 20 20 TYR HB3 H 1 3.666 0.030 . 2 . . . . 20 TYR HB3 . 11144 1 134 . 1 1 20 20 TYR HD1 H 1 7.052 0.030 . 1 . . . . 20 TYR HD1 . 11144 1 135 . 1 1 20 20 TYR HD2 H 1 7.052 0.030 . 1 . . . . 20 TYR HD2 . 11144 1 136 . 1 1 20 20 TYR HE1 H 1 6.865 0.030 . 1 . . . . 20 TYR HE1 . 11144 1 137 . 1 1 20 20 TYR HE2 H 1 6.865 0.030 . 1 . . . . 20 TYR HE2 . 11144 1 138 . 1 1 20 20 TYR C C 13 178.905 0.300 . 1 . . . . 20 TYR C . 11144 1 139 . 1 1 20 20 TYR CA C 13 61.790 0.300 . 1 . . . . 20 TYR CA . 11144 1 140 . 1 1 20 20 TYR CB C 13 36.311 0.300 . 1 . . . . 20 TYR CB . 11144 1 141 . 1 1 20 20 TYR CD1 C 13 133.266 0.300 . 1 . . . . 20 TYR CD1 . 11144 1 142 . 1 1 20 20 TYR CD2 C 13 133.266 0.300 . 1 . . . . 20 TYR CD2 . 11144 1 143 . 1 1 20 20 TYR CE1 C 13 120.802 0.300 . 1 . . . . 20 TYR CE1 . 11144 1 144 . 1 1 20 20 TYR CE2 C 13 120.802 0.300 . 1 . . . . 20 TYR CE2 . 11144 1 145 . 1 1 20 20 TYR N N 15 115.893 0.300 . 1 . . . . 20 TYR N . 11144 1 146 . 1 1 21 21 ASP H H 1 8.218 0.030 . 1 . . . . 21 ASP H . 11144 1 147 . 1 1 21 21 ASP HA H 1 4.394 0.030 . 1 . . . . 21 ASP HA . 11144 1 148 . 1 1 21 21 ASP HB2 H 1 2.710 0.030 . 1 . . . . 21 ASP HB2 . 11144 1 149 . 1 1 21 21 ASP HB3 H 1 2.710 0.030 . 1 . . . . 21 ASP HB3 . 11144 1 150 . 1 1 21 21 ASP C C 13 179.365 0.300 . 1 . . . . 21 ASP C . 11144 1 151 . 1 1 21 21 ASP CA C 13 57.120 0.300 . 1 . . . . 21 ASP CA . 11144 1 152 . 1 1 21 21 ASP CB C 13 40.006 0.300 . 1 . . . . 21 ASP CB . 11144 1 153 . 1 1 21 21 ASP N N 15 119.277 0.300 . 1 . . . . 21 ASP N . 11144 1 154 . 1 1 22 22 LEU H H 1 7.721 0.030 . 1 . . . . 22 LEU H . 11144 1 155 . 1 1 22 22 LEU HA H 1 4.022 0.030 . 1 . . . . 22 LEU HA . 11144 1 156 . 1 1 22 22 LEU HB2 H 1 1.839 0.030 . 2 . . . . 22 LEU HB2 . 11144 1 157 . 1 1 22 22 LEU HB3 H 1 1.371 0.030 . 2 . . . . 22 LEU HB3 . 11144 1 158 . 1 1 22 22 LEU HD11 H 1 0.792 0.030 . 1 . . . . 22 LEU HD1 . 11144 1 159 . 1 1 22 22 LEU HD12 H 1 0.792 0.030 . 1 . . . . 22 LEU HD1 . 11144 1 160 . 1 1 22 22 LEU HD13 H 1 0.792 0.030 . 1 . . . . 22 LEU HD1 . 11144 1 161 . 1 1 22 22 LEU HD21 H 1 0.756 0.030 . 1 . . . . 22 LEU HD2 . 11144 1 162 . 1 1 22 22 LEU HD22 H 1 0.756 0.030 . 1 . . . . 22 LEU HD2 . 11144 1 163 . 1 1 22 22 LEU HD23 H 1 0.756 0.030 . 1 . . . . 22 LEU HD2 . 11144 1 164 . 1 1 22 22 LEU HG H 1 1.623 0.030 . 1 . . . . 22 LEU HG . 11144 1 165 . 1 1 22 22 LEU C C 13 177.958 0.300 . 1 . . . . 22 LEU C . 11144 1 166 . 1 1 22 22 LEU CA C 13 57.628 0.300 . 1 . . . . 22 LEU CA . 11144 1 167 . 1 1 22 22 LEU CB C 13 42.359 0.300 . 1 . . . . 22 LEU CB . 11144 1 168 . 1 1 22 22 LEU CD1 C 13 25.269 0.300 . 2 . . . . 22 LEU CD1 . 11144 1 169 . 1 1 22 22 LEU CD2 C 13 24.618 0.300 . 2 . . . . 22 LEU CD2 . 11144 1 170 . 1 1 22 22 LEU CG C 13 27.196 0.300 . 1 . . . . 22 LEU CG . 11144 1 171 . 1 1 22 22 LEU N N 15 120.094 0.300 . 1 . . . . 22 LEU N . 11144 1 172 . 1 1 23 23 LEU H H 1 7.015 0.030 . 1 . . . . 23 LEU H . 11144 1 173 . 1 1 23 23 LEU HA H 1 4.250 0.030 . 1 . . . . 23 LEU HA . 11144 1 174 . 1 1 23 23 LEU HB2 H 1 1.640 0.030 . 2 . . . . 23 LEU HB2 . 11144 1 175 . 1 1 23 23 LEU HB3 H 1 1.763 0.030 . 2 . . . . 23 LEU HB3 . 11144 1 176 . 1 1 23 23 LEU HD11 H 1 0.911 0.030 . 1 . . . . 23 LEU HD1 . 11144 1 177 . 1 1 23 23 LEU HD12 H 1 0.911 0.030 . 1 . . . . 23 LEU HD1 . 11144 1 178 . 1 1 23 23 LEU HD13 H 1 0.911 0.030 . 1 . . . . 23 LEU HD1 . 11144 1 179 . 1 1 23 23 LEU HD21 H 1 0.885 0.030 . 1 . . . . 23 LEU HD2 . 11144 1 180 . 1 1 23 23 LEU HD22 H 1 0.885 0.030 . 1 . . . . 23 LEU HD2 . 11144 1 181 . 1 1 23 23 LEU HD23 H 1 0.885 0.030 . 1 . . . . 23 LEU HD2 . 11144 1 182 . 1 1 23 23 LEU HG H 1 1.800 0.030 . 1 . . . . 23 LEU HG . 11144 1 183 . 1 1 23 23 LEU C C 13 175.881 0.300 . 1 . . . . 23 LEU C . 11144 1 184 . 1 1 23 23 LEU CA C 13 55.081 0.300 . 1 . . . . 23 LEU CA . 11144 1 185 . 1 1 23 23 LEU CB C 13 42.466 0.300 . 1 . . . . 23 LEU CB . 11144 1 186 . 1 1 23 23 LEU CD1 C 13 23.957 0.300 . 2 . . . . 23 LEU CD1 . 11144 1 187 . 1 1 23 23 LEU CD2 C 13 26.750 0.300 . 2 . . . . 23 LEU CD2 . 11144 1 188 . 1 1 23 23 LEU CG C 13 27.237 0.300 . 1 . . . . 23 LEU CG . 11144 1 189 . 1 1 23 23 LEU N N 15 114.488 0.300 . 1 . . . . 23 LEU N . 11144 1 190 . 1 1 24 24 GLY H H 1 8.064 0.030 . 1 . . . . 24 GLY H . 11144 1 191 . 1 1 24 24 GLY HA2 H 1 3.898 0.030 . 2 . . . . 24 GLY HA2 . 11144 1 192 . 1 1 24 24 GLY HA3 H 1 3.989 0.030 . 2 . . . . 24 GLY HA3 . 11144 1 193 . 1 1 24 24 GLY C C 13 174.861 0.300 . 1 . . . . 24 GLY C . 11144 1 194 . 1 1 24 24 GLY CA C 13 46.319 0.300 . 1 . . . . 24 GLY CA . 11144 1 195 . 1 1 24 24 GLY N N 15 108.151 0.300 . 1 . . . . 24 GLY N . 11144 1 196 . 1 1 25 25 VAL H H 1 7.642 0.030 . 1 . . . . 25 VAL H . 11144 1 197 . 1 1 25 25 VAL HA H 1 4.949 0.030 . 1 . . . . 25 VAL HA . 11144 1 198 . 1 1 25 25 VAL HB H 1 2.196 0.030 . 1 . . . . 25 VAL HB . 11144 1 199 . 1 1 25 25 VAL HG11 H 1 0.818 0.030 . 1 . . . . 25 VAL HG1 . 11144 1 200 . 1 1 25 25 VAL HG12 H 1 0.818 0.030 . 1 . . . . 25 VAL HG1 . 11144 1 201 . 1 1 25 25 VAL HG13 H 1 0.818 0.030 . 1 . . . . 25 VAL HG1 . 11144 1 202 . 1 1 25 25 VAL HG21 H 1 0.954 0.030 . 1 . . . . 25 VAL HG2 . 11144 1 203 . 1 1 25 25 VAL HG22 H 1 0.954 0.030 . 1 . . . . 25 VAL HG2 . 11144 1 204 . 1 1 25 25 VAL HG23 H 1 0.954 0.030 . 1 . . . . 25 VAL HG2 . 11144 1 205 . 1 1 25 25 VAL C C 13 172.675 0.300 . 1 . . . . 25 VAL C . 11144 1 206 . 1 1 25 25 VAL CA C 13 56.791 0.300 . 1 . . . . 25 VAL CA . 11144 1 207 . 1 1 25 25 VAL CB C 13 33.346 0.300 . 1 . . . . 25 VAL CB . 11144 1 208 . 1 1 25 25 VAL CG1 C 13 22.780 0.300 . 2 . . . . 25 VAL CG1 . 11144 1 209 . 1 1 25 25 VAL CG2 C 13 19.004 0.300 . 2 . . . . 25 VAL CG2 . 11144 1 210 . 1 1 25 25 VAL N N 15 111.232 0.300 . 1 . . . . 25 VAL N . 11144 1 211 . 1 1 26 26 PRO HA H 1 4.585 0.030 . 1 . . . . 26 PRO HA . 11144 1 212 . 1 1 26 26 PRO HB2 H 1 2.331 0.030 . 2 . . . . 26 PRO HB2 . 11144 1 213 . 1 1 26 26 PRO HB3 H 1 1.826 0.030 . 2 . . . . 26 PRO HB3 . 11144 1 214 . 1 1 26 26 PRO HD2 H 1 3.741 0.030 . 2 . . . . 26 PRO HD2 . 11144 1 215 . 1 1 26 26 PRO HD3 H 1 3.602 0.030 . 2 . . . . 26 PRO HD3 . 11144 1 216 . 1 1 26 26 PRO HG2 H 1 1.980 0.030 . 2 . . . . 26 PRO HG2 . 11144 1 217 . 1 1 26 26 PRO HG3 H 1 1.808 0.030 . 2 . . . . 26 PRO HG3 . 11144 1 218 . 1 1 26 26 PRO C C 13 177.231 0.300 . 1 . . . . 26 PRO C . 11144 1 219 . 1 1 26 26 PRO CA C 13 61.622 0.300 . 1 . . . . 26 PRO CA . 11144 1 220 . 1 1 26 26 PRO CB C 13 32.901 0.300 . 1 . . . . 26 PRO CB . 11144 1 221 . 1 1 26 26 PRO CD C 13 50.229 0.300 . 1 . . . . 26 PRO CD . 11144 1 222 . 1 1 26 26 PRO CG C 13 27.278 0.300 . 1 . . . . 26 PRO CG . 11144 1 223 . 1 1 27 27 SER H H 1 8.544 0.030 . 1 . . . . 27 SER H . 11144 1 224 . 1 1 27 27 SER HA H 1 2.144 0.030 . 1 . . . . 27 SER HA . 11144 1 225 . 1 1 27 27 SER HB2 H 1 3.302 0.030 . 2 . . . . 27 SER HB2 . 11144 1 226 . 1 1 27 27 SER HB3 H 1 3.522 0.030 . 2 . . . . 27 SER HB3 . 11144 1 227 . 1 1 27 27 SER C C 13 174.689 0.300 . 1 . . . . 27 SER C . 11144 1 228 . 1 1 27 27 SER CA C 13 59.856 0.300 . 1 . . . . 27 SER CA . 11144 1 229 . 1 1 27 27 SER CB C 13 62.730 0.300 . 1 . . . . 27 SER CB . 11144 1 230 . 1 1 27 27 SER N N 15 114.165 0.300 . 1 . . . . 27 SER N . 11144 1 231 . 1 1 28 28 THR H H 1 6.702 0.030 . 1 . . . . 28 THR H . 11144 1 232 . 1 1 28 28 THR HA H 1 4.141 0.030 . 1 . . . . 28 THR HA . 11144 1 233 . 1 1 28 28 THR HB H 1 4.558 0.030 . 1 . . . . 28 THR HB . 11144 1 234 . 1 1 28 28 THR HG21 H 1 1.083 0.030 . 1 . . . . 28 THR HG2 . 11144 1 235 . 1 1 28 28 THR HG22 H 1 1.083 0.030 . 1 . . . . 28 THR HG2 . 11144 1 236 . 1 1 28 28 THR HG23 H 1 1.083 0.030 . 1 . . . . 28 THR HG2 . 11144 1 237 . 1 1 28 28 THR C C 13 174.591 0.300 . 1 . . . . 28 THR C . 11144 1 238 . 1 1 28 28 THR CA C 13 60.217 0.300 . 1 . . . . 28 THR CA . 11144 1 239 . 1 1 28 28 THR CB C 13 68.353 0.300 . 1 . . . . 28 THR CB . 11144 1 240 . 1 1 28 28 THR CG2 C 13 21.618 0.300 . 1 . . . . 28 THR CG2 . 11144 1 241 . 1 1 28 28 THR N N 15 106.959 0.300 . 1 . . . . 28 THR N . 11144 1 242 . 1 1 29 29 ALA H H 1 7.477 0.030 . 1 . . . . 29 ALA H . 11144 1 243 . 1 1 29 29 ALA HA H 1 4.369 0.030 . 1 . . . . 29 ALA HA . 11144 1 244 . 1 1 29 29 ALA HB1 H 1 1.539 0.030 . 1 . . . . 29 ALA HB . 11144 1 245 . 1 1 29 29 ALA HB2 H 1 1.539 0.030 . 1 . . . . 29 ALA HB . 11144 1 246 . 1 1 29 29 ALA HB3 H 1 1.539 0.030 . 1 . . . . 29 ALA HB . 11144 1 247 . 1 1 29 29 ALA C C 13 178.147 0.300 . 1 . . . . 29 ALA C . 11144 1 248 . 1 1 29 29 ALA CA C 13 52.574 0.300 . 1 . . . . 29 ALA CA . 11144 1 249 . 1 1 29 29 ALA CB C 13 19.908 0.300 . 1 . . . . 29 ALA CB . 11144 1 250 . 1 1 29 29 ALA N N 15 123.874 0.300 . 1 . . . . 29 ALA N . 11144 1 251 . 1 1 30 30 THR H H 1 8.670 0.030 . 1 . . . . 30 THR H . 11144 1 252 . 1 1 30 30 THR HA H 1 4.585 0.030 . 1 . . . . 30 THR HA . 11144 1 253 . 1 1 30 30 THR HB H 1 4.847 0.030 . 1 . . . . 30 THR HB . 11144 1 254 . 1 1 30 30 THR HG21 H 1 1.387 0.030 . 1 . . . . 30 THR HG2 . 11144 1 255 . 1 1 30 30 THR HG22 H 1 1.387 0.030 . 1 . . . . 30 THR HG2 . 11144 1 256 . 1 1 30 30 THR HG23 H 1 1.387 0.030 . 1 . . . . 30 THR HG2 . 11144 1 257 . 1 1 30 30 THR C C 13 175.825 0.300 . 1 . . . . 30 THR C . 11144 1 258 . 1 1 30 30 THR CA C 13 60.576 0.300 . 1 . . . . 30 THR CA . 11144 1 259 . 1 1 30 30 THR CB C 13 71.073 0.300 . 1 . . . . 30 THR CB . 11144 1 260 . 1 1 30 30 THR CG2 C 13 21.832 0.300 . 1 . . . . 30 THR CG2 . 11144 1 261 . 1 1 30 30 THR N N 15 111.914 0.300 . 1 . . . . 30 THR N . 11144 1 262 . 1 1 31 31 GLN H H 1 9.150 0.030 . 1 . . . . 31 GLN H . 11144 1 263 . 1 1 31 31 GLN HA H 1 4.120 0.030 . 1 . . . . 31 GLN HA . 11144 1 264 . 1 1 31 31 GLN HB2 H 1 2.278 0.030 . 2 . . . . 31 GLN HB2 . 11144 1 265 . 1 1 31 31 GLN HB3 H 1 2.177 0.030 . 2 . . . . 31 GLN HB3 . 11144 1 266 . 1 1 31 31 GLN HE21 H 1 7.665 0.030 . 2 . . . . 31 GLN HE21 . 11144 1 267 . 1 1 31 31 GLN HE22 H 1 7.633 0.030 . 2 . . . . 31 GLN HE22 . 11144 1 268 . 1 1 31 31 GLN HG2 H 1 2.675 0.030 . 2 . . . . 31 GLN HG2 . 11144 1 269 . 1 1 31 31 GLN HG3 H 1 2.495 0.030 . 2 . . . . 31 GLN HG3 . 11144 1 270 . 1 1 31 31 GLN C C 13 178.981 0.300 . 1 . . . . 31 GLN C . 11144 1 271 . 1 1 31 31 GLN CA C 13 59.118 0.300 . 1 . . . . 31 GLN CA . 11144 1 272 . 1 1 31 31 GLN CB C 13 27.766 0.300 . 1 . . . . 31 GLN CB . 11144 1 273 . 1 1 31 31 GLN CG C 13 34.175 0.300 . 1 . . . . 31 GLN CG . 11144 1 274 . 1 1 31 31 GLN N N 15 119.728 0.300 . 1 . . . . 31 GLN N . 11144 1 275 . 1 1 31 31 GLN NE2 N 15 110.989 0.300 . 1 . . . . 31 GLN NE2 . 11144 1 276 . 1 1 32 32 ALA H H 1 8.655 0.030 . 1 . . . . 32 ALA H . 11144 1 277 . 1 1 32 32 ALA HA H 1 4.212 0.030 . 1 . . . . 32 ALA HA . 11144 1 278 . 1 1 32 32 ALA HB1 H 1 1.478 0.030 . 1 . . . . 32 ALA HB . 11144 1 279 . 1 1 32 32 ALA HB2 H 1 1.478 0.030 . 1 . . . . 32 ALA HB . 11144 1 280 . 1 1 32 32 ALA HB3 H 1 1.478 0.030 . 1 . . . . 32 ALA HB . 11144 1 281 . 1 1 32 32 ALA C C 13 181.155 0.300 . 1 . . . . 32 ALA C . 11144 1 282 . 1 1 32 32 ALA CA C 13 55.343 0.300 . 1 . . . . 32 ALA CA . 11144 1 283 . 1 1 32 32 ALA CB C 13 18.257 0.300 . 1 . . . . 32 ALA CB . 11144 1 284 . 1 1 32 32 ALA N N 15 121.720 0.300 . 1 . . . . 32 ALA N . 11144 1 285 . 1 1 33 33 GLN H H 1 7.844 0.030 . 1 . . . . 33 GLN H . 11144 1 286 . 1 1 33 33 GLN HA H 1 4.123 0.030 . 1 . . . . 33 GLN HA . 11144 1 287 . 1 1 33 33 GLN HB2 H 1 1.948 0.030 . 2 . . . . 33 GLN HB2 . 11144 1 288 . 1 1 33 33 GLN HB3 H 1 2.577 0.030 . 2 . . . . 33 GLN HB3 . 11144 1 289 . 1 1 33 33 GLN HE21 H 1 6.916 0.030 . 2 . . . . 33 GLN HE21 . 11144 1 290 . 1 1 33 33 GLN HE22 H 1 7.622 0.030 . 2 . . . . 33 GLN HE22 . 11144 1 291 . 1 1 33 33 GLN HG2 H 1 2.524 0.030 . 1 . . . . 33 GLN HG2 . 11144 1 292 . 1 1 33 33 GLN HG3 H 1 2.524 0.030 . 1 . . . . 33 GLN HG3 . 11144 1 293 . 1 1 33 33 GLN C C 13 179.896 0.300 . 1 . . . . 33 GLN C . 11144 1 294 . 1 1 33 33 GLN CA C 13 58.664 0.300 . 1 . . . . 33 GLN CA . 11144 1 295 . 1 1 33 33 GLN CB C 13 28.841 0.300 . 1 . . . . 33 GLN CB . 11144 1 296 . 1 1 33 33 GLN CG C 13 34.663 0.300 . 1 . . . . 33 GLN CG . 11144 1 297 . 1 1 33 33 GLN N N 15 119.306 0.300 . 1 . . . . 33 GLN N . 11144 1 298 . 1 1 33 33 GLN NE2 N 15 111.277 0.300 . 1 . . . . 33 GLN NE2 . 11144 1 299 . 1 1 34 34 ILE H H 1 8.377 0.030 . 1 . . . . 34 ILE H . 11144 1 300 . 1 1 34 34 ILE HA H 1 3.593 0.030 . 1 . . . . 34 ILE HA . 11144 1 301 . 1 1 34 34 ILE HB H 1 2.081 0.030 . 1 . . . . 34 ILE HB . 11144 1 302 . 1 1 34 34 ILE HD11 H 1 0.843 0.030 . 1 . . . . 34 ILE HD1 . 11144 1 303 . 1 1 34 34 ILE HD12 H 1 0.843 0.030 . 1 . . . . 34 ILE HD1 . 11144 1 304 . 1 1 34 34 ILE HD13 H 1 0.843 0.030 . 1 . . . . 34 ILE HD1 . 11144 1 305 . 1 1 34 34 ILE HG12 H 1 0.964 0.030 . 2 . . . . 34 ILE HG12 . 11144 1 306 . 1 1 34 34 ILE HG13 H 1 1.803 0.030 . 2 . . . . 34 ILE HG13 . 11144 1 307 . 1 1 34 34 ILE HG21 H 1 0.826 0.030 . 1 . . . . 34 ILE HG2 . 11144 1 308 . 1 1 34 34 ILE HG22 H 1 0.826 0.030 . 1 . . . . 34 ILE HG2 . 11144 1 309 . 1 1 34 34 ILE HG23 H 1 0.826 0.030 . 1 . . . . 34 ILE HG2 . 11144 1 310 . 1 1 34 34 ILE C C 13 176.482 0.300 . 1 . . . . 34 ILE C . 11144 1 311 . 1 1 34 34 ILE CA C 13 66.055 0.300 . 1 . . . . 34 ILE CA . 11144 1 312 . 1 1 34 34 ILE CB C 13 38.018 0.300 . 1 . . . . 34 ILE CB . 11144 1 313 . 1 1 34 34 ILE CD1 C 13 13.441 0.300 . 1 . . . . 34 ILE CD1 . 11144 1 314 . 1 1 34 34 ILE CG1 C 13 31.262 0.300 . 1 . . . . 34 ILE CG1 . 11144 1 315 . 1 1 34 34 ILE CG2 C 13 17.026 0.300 . 1 . . . . 34 ILE CG2 . 11144 1 316 . 1 1 34 34 ILE N N 15 123.229 0.300 . 1 . . . . 34 ILE N . 11144 1 317 . 1 1 35 35 LYS H H 1 8.263 0.030 . 1 . . . . 35 LYS H . 11144 1 318 . 1 1 35 35 LYS HA H 1 3.978 0.030 . 1 . . . . 35 LYS HA . 11144 1 319 . 1 1 35 35 LYS HB2 H 1 1.993 0.030 . 2 . . . . 35 LYS HB2 . 11144 1 320 . 1 1 35 35 LYS HB3 H 1 2.037 0.030 . 2 . . . . 35 LYS HB3 . 11144 1 321 . 1 1 35 35 LYS HD2 H 1 1.824 0.030 . 1 . . . . 35 LYS HD2 . 11144 1 322 . 1 1 35 35 LYS HD3 H 1 1.824 0.030 . 1 . . . . 35 LYS HD3 . 11144 1 323 . 1 1 35 35 LYS HE2 H 1 3.072 0.030 . 1 . . . . 35 LYS HE2 . 11144 1 324 . 1 1 35 35 LYS HE3 H 1 3.072 0.030 . 1 . . . . 35 LYS HE3 . 11144 1 325 . 1 1 35 35 LYS HG2 H 1 1.502 0.030 . 2 . . . . 35 LYS HG2 . 11144 1 326 . 1 1 35 35 LYS HG3 H 1 1.597 0.030 . 2 . . . . 35 LYS HG3 . 11144 1 327 . 1 1 35 35 LYS C C 13 177.590 0.300 . 1 . . . . 35 LYS C . 11144 1 328 . 1 1 35 35 LYS CA C 13 60.474 0.300 . 1 . . . . 35 LYS CA . 11144 1 329 . 1 1 35 35 LYS CB C 13 32.776 0.300 . 1 . . . . 35 LYS CB . 11144 1 330 . 1 1 35 35 LYS CD C 13 29.928 0.300 . 1 . . . . 35 LYS CD . 11144 1 331 . 1 1 35 35 LYS CE C 13 42.218 0.300 . 1 . . . . 35 LYS CE . 11144 1 332 . 1 1 35 35 LYS CG C 13 25.156 0.300 . 1 . . . . 35 LYS CG . 11144 1 333 . 1 1 35 35 LYS N N 15 120.427 0.300 . 1 . . . . 35 LYS N . 11144 1 334 . 1 1 36 36 ALA H H 1 7.929 0.030 . 1 . . . . 36 ALA H . 11144 1 335 . 1 1 36 36 ALA HA H 1 4.193 0.030 . 1 . . . . 36 ALA HA . 11144 1 336 . 1 1 36 36 ALA HB1 H 1 1.522 0.030 . 1 . . . . 36 ALA HB . 11144 1 337 . 1 1 36 36 ALA HB2 H 1 1.522 0.030 . 1 . . . . 36 ALA HB . 11144 1 338 . 1 1 36 36 ALA HB3 H 1 1.522 0.030 . 1 . . . . 36 ALA HB . 11144 1 339 . 1 1 36 36 ALA C C 13 180.739 0.300 . 1 . . . . 36 ALA C . 11144 1 340 . 1 1 36 36 ALA CA C 13 55.096 0.300 . 1 . . . . 36 ALA CA . 11144 1 341 . 1 1 36 36 ALA CB C 13 18.081 0.300 . 1 . . . . 36 ALA CB . 11144 1 342 . 1 1 36 36 ALA N N 15 118.861 0.300 . 1 . . . . 36 ALA N . 11144 1 343 . 1 1 37 37 ALA H H 1 8.052 0.030 . 1 . . . . 37 ALA H . 11144 1 344 . 1 1 37 37 ALA HA H 1 4.196 0.030 . 1 . . . . 37 ALA HA . 11144 1 345 . 1 1 37 37 ALA HB1 H 1 1.680 0.030 . 1 . . . . 37 ALA HB . 11144 1 346 . 1 1 37 37 ALA HB2 H 1 1.680 0.030 . 1 . . . . 37 ALA HB . 11144 1 347 . 1 1 37 37 ALA HB3 H 1 1.680 0.030 . 1 . . . . 37 ALA HB . 11144 1 348 . 1 1 37 37 ALA C C 13 179.810 0.300 . 1 . . . . 37 ALA C . 11144 1 349 . 1 1 37 37 ALA CA C 13 55.067 0.300 . 1 . . . . 37 ALA CA . 11144 1 350 . 1 1 37 37 ALA CB C 13 19.232 0.300 . 1 . . . . 37 ALA CB . 11144 1 351 . 1 1 37 37 ALA N N 15 121.637 0.300 . 1 . . . . 37 ALA N . 11144 1 352 . 1 1 38 38 TYR H H 1 8.452 0.030 . 1 . . . . 38 TYR H . 11144 1 353 . 1 1 38 38 TYR HA H 1 3.957 0.030 . 1 . . . . 38 TYR HA . 11144 1 354 . 1 1 38 38 TYR HB2 H 1 2.566 0.030 . 2 . . . . 38 TYR HB2 . 11144 1 355 . 1 1 38 38 TYR HB3 H 1 2.499 0.030 . 2 . . . . 38 TYR HB3 . 11144 1 356 . 1 1 38 38 TYR HD1 H 1 6.064 0.030 . 1 . . . . 38 TYR HD1 . 11144 1 357 . 1 1 38 38 TYR HD2 H 1 6.064 0.030 . 1 . . . . 38 TYR HD2 . 11144 1 358 . 1 1 38 38 TYR HE1 H 1 6.187 0.030 . 1 . . . . 38 TYR HE1 . 11144 1 359 . 1 1 38 38 TYR HE2 H 1 6.187 0.030 . 1 . . . . 38 TYR HE2 . 11144 1 360 . 1 1 38 38 TYR C C 13 177.413 0.300 . 1 . . . . 38 TYR C . 11144 1 361 . 1 1 38 38 TYR CA C 13 61.318 0.300 . 1 . . . . 38 TYR CA . 11144 1 362 . 1 1 38 38 TYR CB C 13 37.773 0.300 . 1 . . . . 38 TYR CB . 11144 1 363 . 1 1 38 38 TYR CD1 C 13 132.494 0.300 . 1 . . . . 38 TYR CD1 . 11144 1 364 . 1 1 38 38 TYR CD2 C 13 132.494 0.300 . 1 . . . . 38 TYR CD2 . 11144 1 365 . 1 1 38 38 TYR CE1 C 13 117.738 0.300 . 1 . . . . 38 TYR CE1 . 11144 1 366 . 1 1 38 38 TYR CE2 C 13 117.738 0.300 . 1 . . . . 38 TYR CE2 . 11144 1 367 . 1 1 38 38 TYR N N 15 119.539 0.300 . 1 . . . . 38 TYR N . 11144 1 368 . 1 1 39 39 TYR H H 1 8.224 0.030 . 1 . . . . 39 TYR H . 11144 1 369 . 1 1 39 39 TYR HA H 1 3.841 0.030 . 1 . . . . 39 TYR HA . 11144 1 370 . 1 1 39 39 TYR HB2 H 1 3.065 0.030 . 2 . . . . 39 TYR HB2 . 11144 1 371 . 1 1 39 39 TYR HB3 H 1 2.985 0.030 . 2 . . . . 39 TYR HB3 . 11144 1 372 . 1 1 39 39 TYR HD1 H 1 7.161 0.030 . 1 . . . . 39 TYR HD1 . 11144 1 373 . 1 1 39 39 TYR HD2 H 1 7.161 0.030 . 1 . . . . 39 TYR HD2 . 11144 1 374 . 1 1 39 39 TYR HE1 H 1 6.822 0.030 . 1 . . . . 39 TYR HE1 . 11144 1 375 . 1 1 39 39 TYR HE2 H 1 6.822 0.030 . 1 . . . . 39 TYR HE2 . 11144 1 376 . 1 1 39 39 TYR C C 13 179.060 0.300 . 1 . . . . 39 TYR C . 11144 1 377 . 1 1 39 39 TYR CA C 13 61.965 0.300 . 1 . . . . 39 TYR CA . 11144 1 378 . 1 1 39 39 TYR CB C 13 36.971 0.300 . 1 . . . . 39 TYR CB . 11144 1 379 . 1 1 39 39 TYR CD1 C 13 132.808 0.300 . 1 . . . . 39 TYR CD1 . 11144 1 380 . 1 1 39 39 TYR CD2 C 13 132.808 0.300 . 1 . . . . 39 TYR CD2 . 11144 1 381 . 1 1 39 39 TYR CE1 C 13 117.916 0.300 . 1 . . . . 39 TYR CE1 . 11144 1 382 . 1 1 39 39 TYR CE2 C 13 117.916 0.300 . 1 . . . . 39 TYR CE2 . 11144 1 383 . 1 1 39 39 TYR N N 15 118.708 0.300 . 1 . . . . 39 TYR N . 11144 1 384 . 1 1 40 40 ARG H H 1 8.029 0.030 . 1 . . . . 40 ARG H . 11144 1 385 . 1 1 40 40 ARG HA H 1 4.159 0.030 . 1 . . . . 40 ARG HA . 11144 1 386 . 1 1 40 40 ARG HB2 H 1 2.074 0.030 . 1 . . . . 40 ARG HB2 . 11144 1 387 . 1 1 40 40 ARG HB3 H 1 2.074 0.030 . 1 . . . . 40 ARG HB3 . 11144 1 388 . 1 1 40 40 ARG HD2 H 1 3.266 0.030 . 1 . . . . 40 ARG HD2 . 11144 1 389 . 1 1 40 40 ARG HD3 H 1 3.266 0.030 . 1 . . . . 40 ARG HD3 . 11144 1 390 . 1 1 40 40 ARG HG2 H 1 1.614 0.030 . 2 . . . . 40 ARG HG2 . 11144 1 391 . 1 1 40 40 ARG HG3 H 1 1.798 0.030 . 2 . . . . 40 ARG HG3 . 11144 1 392 . 1 1 40 40 ARG C C 13 178.756 0.300 . 1 . . . . 40 ARG C . 11144 1 393 . 1 1 40 40 ARG CA C 13 59.621 0.300 . 1 . . . . 40 ARG CA . 11144 1 394 . 1 1 40 40 ARG CB C 13 30.068 0.300 . 1 . . . . 40 ARG CB . 11144 1 395 . 1 1 40 40 ARG CD C 13 43.516 0.300 . 1 . . . . 40 ARG CD . 11144 1 396 . 1 1 40 40 ARG CG C 13 27.555 0.300 . 1 . . . . 40 ARG CG . 11144 1 397 . 1 1 40 40 ARG N N 15 120.556 0.300 . 1 . . . . 40 ARG N . 11144 1 398 . 1 1 41 41 GLN H H 1 8.435 0.030 . 1 . . . . 41 GLN H . 11144 1 399 . 1 1 41 41 GLN HA H 1 4.308 0.030 . 1 . . . . 41 GLN HA . 11144 1 400 . 1 1 41 41 GLN HB2 H 1 2.455 0.030 . 2 . . . . 41 GLN HB2 . 11144 1 401 . 1 1 41 41 GLN HB3 H 1 2.112 0.030 . 2 . . . . 41 GLN HB3 . 11144 1 402 . 1 1 41 41 GLN HE21 H 1 6.859 0.030 . 2 . . . . 41 GLN HE21 . 11144 1 403 . 1 1 41 41 GLN HE22 H 1 7.161 0.030 . 2 . . . . 41 GLN HE22 . 11144 1 404 . 1 1 41 41 GLN HG2 H 1 2.886 0.030 . 2 . . . . 41 GLN HG2 . 11144 1 405 . 1 1 41 41 GLN HG3 H 1 2.475 0.030 . 2 . . . . 41 GLN HG3 . 11144 1 406 . 1 1 41 41 GLN C C 13 178.747 0.300 . 1 . . . . 41 GLN C . 11144 1 407 . 1 1 41 41 GLN CA C 13 58.222 0.300 . 1 . . . . 41 GLN CA . 11144 1 408 . 1 1 41 41 GLN CB C 13 28.399 0.300 . 1 . . . . 41 GLN CB . 11144 1 409 . 1 1 41 41 GLN CG C 13 33.597 0.300 . 1 . . . . 41 GLN CG . 11144 1 410 . 1 1 41 41 GLN N N 15 117.433 0.300 . 1 . . . . 41 GLN N . 11144 1 411 . 1 1 41 41 GLN NE2 N 15 111.838 0.300 . 1 . . . . 41 GLN NE2 . 11144 1 412 . 1 1 42 42 CYS H H 1 8.531 0.030 . 1 . . . . 42 CYS H . 11144 1 413 . 1 1 42 42 CYS HA H 1 3.977 0.030 . 1 . . . . 42 CYS HA . 11144 1 414 . 1 1 42 42 CYS HB2 H 1 2.776 0.030 . 2 . . . . 42 CYS HB2 . 11144 1 415 . 1 1 42 42 CYS HB3 H 1 2.579 0.030 . 2 . . . . 42 CYS HB3 . 11144 1 416 . 1 1 42 42 CYS C C 13 176.198 0.300 . 1 . . . . 42 CYS C . 11144 1 417 . 1 1 42 42 CYS CA C 13 64.032 0.300 . 1 . . . . 42 CYS CA . 11144 1 418 . 1 1 42 42 CYS CB C 13 26.734 0.300 . 1 . . . . 42 CYS CB . 11144 1 419 . 1 1 42 42 CYS N N 15 117.351 0.300 . 1 . . . . 42 CYS N . 11144 1 420 . 1 1 43 43 PHE H H 1 7.546 0.030 . 1 . . . . 43 PHE H . 11144 1 421 . 1 1 43 43 PHE HA H 1 4.166 0.030 . 1 . . . . 43 PHE HA . 11144 1 422 . 1 1 43 43 PHE HB2 H 1 3.233 0.030 . 2 . . . . 43 PHE HB2 . 11144 1 423 . 1 1 43 43 PHE HB3 H 1 3.149 0.030 . 2 . . . . 43 PHE HB3 . 11144 1 424 . 1 1 43 43 PHE HD1 H 1 7.126 0.030 . 1 . . . . 43 PHE HD1 . 11144 1 425 . 1 1 43 43 PHE HD2 H 1 7.126 0.030 . 1 . . . . 43 PHE HD2 . 11144 1 426 . 1 1 43 43 PHE HE1 H 1 7.228 0.030 . 1 . . . . 43 PHE HE1 . 11144 1 427 . 1 1 43 43 PHE HE2 H 1 7.228 0.030 . 1 . . . . 43 PHE HE2 . 11144 1 428 . 1 1 43 43 PHE HZ H 1 7.193 0.030 . 1 . . . . 43 PHE HZ . 11144 1 429 . 1 1 43 43 PHE C C 13 177.714 0.300 . 1 . . . . 43 PHE C . 11144 1 430 . 1 1 43 43 PHE CA C 13 61.088 0.300 . 1 . . . . 43 PHE CA . 11144 1 431 . 1 1 43 43 PHE CB C 13 38.943 0.300 . 1 . . . . 43 PHE CB . 11144 1 432 . 1 1 43 43 PHE CD1 C 13 131.792 0.300 . 1 . . . . 43 PHE CD1 . 11144 1 433 . 1 1 43 43 PHE CD2 C 13 131.792 0.300 . 1 . . . . 43 PHE CD2 . 11144 1 434 . 1 1 43 43 PHE CE1 C 13 131.277 0.300 . 1 . . . . 43 PHE CE1 . 11144 1 435 . 1 1 43 43 PHE CE2 C 13 131.277 0.300 . 1 . . . . 43 PHE CE2 . 11144 1 436 . 1 1 43 43 PHE CZ C 13 129.867 0.300 . 1 . . . . 43 PHE CZ . 11144 1 437 . 1 1 43 43 PHE N N 15 117.954 0.300 . 1 . . . . 43 PHE N . 11144 1 438 . 1 1 44 44 LEU H H 1 7.682 0.030 . 1 . . . . 44 LEU H . 11144 1 439 . 1 1 44 44 LEU HA H 1 3.780 0.030 . 1 . . . . 44 LEU HA . 11144 1 440 . 1 1 44 44 LEU HB2 H 1 1.618 0.030 . 2 . . . . 44 LEU HB2 . 11144 1 441 . 1 1 44 44 LEU HB3 H 1 0.949 0.030 . 2 . . . . 44 LEU HB3 . 11144 1 442 . 1 1 44 44 LEU HD11 H 1 0.855 0.030 . 1 . . . . 44 LEU HD1 . 11144 1 443 . 1 1 44 44 LEU HD12 H 1 0.855 0.030 . 1 . . . . 44 LEU HD1 . 11144 1 444 . 1 1 44 44 LEU HD13 H 1 0.855 0.030 . 1 . . . . 44 LEU HD1 . 11144 1 445 . 1 1 44 44 LEU HD21 H 1 0.814 0.030 . 1 . . . . 44 LEU HD2 . 11144 1 446 . 1 1 44 44 LEU HD22 H 1 0.814 0.030 . 1 . . . . 44 LEU HD2 . 11144 1 447 . 1 1 44 44 LEU HD23 H 1 0.814 0.030 . 1 . . . . 44 LEU HD2 . 11144 1 448 . 1 1 44 44 LEU HG H 1 1.619 0.030 . 1 . . . . 44 LEU HG . 11144 1 449 . 1 1 44 44 LEU C C 13 178.930 0.300 . 1 . . . . 44 LEU C . 11144 1 450 . 1 1 44 44 LEU CA C 13 57.187 0.300 . 1 . . . . 44 LEU CA . 11144 1 451 . 1 1 44 44 LEU CB C 13 42.611 0.300 . 1 . . . . 44 LEU CB . 11144 1 452 . 1 1 44 44 LEU CD1 C 13 25.040 0.300 . 2 . . . . 44 LEU CD1 . 11144 1 453 . 1 1 44 44 LEU CD2 C 13 22.914 0.300 . 2 . . . . 44 LEU CD2 . 11144 1 454 . 1 1 44 44 LEU CG C 13 26.699 0.300 . 1 . . . . 44 LEU CG . 11144 1 455 . 1 1 44 44 LEU N N 15 117.905 0.300 . 1 . . . . 44 LEU N . 11144 1 456 . 1 1 45 45 TYR H H 1 7.722 0.030 . 1 . . . . 45 TYR H . 11144 1 457 . 1 1 45 45 TYR HA H 1 4.430 0.030 . 1 . . . . 45 TYR HA . 11144 1 458 . 1 1 45 45 TYR HB2 H 1 3.429 0.030 . 2 . . . . 45 TYR HB2 . 11144 1 459 . 1 1 45 45 TYR HB3 H 1 2.524 0.030 . 2 . . . . 45 TYR HB3 . 11144 1 460 . 1 1 45 45 TYR HD1 H 1 7.172 0.030 . 1 . . . . 45 TYR HD1 . 11144 1 461 . 1 1 45 45 TYR HD2 H 1 7.172 0.030 . 1 . . . . 45 TYR HD2 . 11144 1 462 . 1 1 45 45 TYR HE1 H 1 6.870 0.030 . 1 . . . . 45 TYR HE1 . 11144 1 463 . 1 1 45 45 TYR HE2 H 1 6.870 0.030 . 1 . . . . 45 TYR HE2 . 11144 1 464 . 1 1 45 45 TYR C C 13 173.476 0.300 . 1 . . . . 45 TYR C . 11144 1 465 . 1 1 45 45 TYR CA C 13 58.798 0.300 . 1 . . . . 45 TYR CA . 11144 1 466 . 1 1 45 45 TYR CB C 13 38.208 0.300 . 1 . . . . 45 TYR CB . 11144 1 467 . 1 1 45 45 TYR CD1 C 13 133.190 0.300 . 1 . . . . 45 TYR CD1 . 11144 1 468 . 1 1 45 45 TYR CD2 C 13 133.190 0.300 . 1 . . . . 45 TYR CD2 . 11144 1 469 . 1 1 45 45 TYR CE1 C 13 118.131 0.300 . 1 . . . . 45 TYR CE1 . 11144 1 470 . 1 1 45 45 TYR CE2 C 13 118.131 0.300 . 1 . . . . 45 TYR CE2 . 11144 1 471 . 1 1 45 45 TYR N N 15 114.554 0.300 . 1 . . . . 45 TYR N . 11144 1 472 . 1 1 46 46 HIS H H 1 7.279 0.030 . 1 . . . . 46 HIS H . 11144 1 473 . 1 1 46 46 HIS HA H 1 3.878 0.030 . 1 . . . . 46 HIS HA . 11144 1 474 . 1 1 46 46 HIS HB2 H 1 3.408 0.030 . 2 . . . . 46 HIS HB2 . 11144 1 475 . 1 1 46 46 HIS HB3 H 1 2.568 0.030 . 2 . . . . 46 HIS HB3 . 11144 1 476 . 1 1 46 46 HIS HD2 H 1 6.953 0.030 . 1 . . . . 46 HIS HD2 . 11144 1 477 . 1 1 46 46 HIS HE1 H 1 7.625 0.030 . 1 . . . . 46 HIS HE1 . 11144 1 478 . 1 1 46 46 HIS C C 13 175.625 0.300 . 1 . . . . 46 HIS C . 11144 1 479 . 1 1 46 46 HIS CA C 13 56.913 0.300 . 1 . . . . 46 HIS CA . 11144 1 480 . 1 1 46 46 HIS CB C 13 31.323 0.300 . 1 . . . . 46 HIS CB . 11144 1 481 . 1 1 46 46 HIS CD2 C 13 118.320 0.300 . 1 . . . . 46 HIS CD2 . 11144 1 482 . 1 1 46 46 HIS CE1 C 13 138.732 0.300 . 1 . . . . 46 HIS CE1 . 11144 1 483 . 1 1 46 46 HIS N N 15 122.016 0.300 . 1 . . . . 46 HIS N . 11144 1 484 . 1 1 47 47 PRO HA H 1 4.098 0.030 . 1 . . . . 47 PRO HA . 11144 1 485 . 1 1 47 47 PRO HB2 H 1 1.829 0.030 . 2 . . . . 47 PRO HB2 . 11144 1 486 . 1 1 47 47 PRO HB3 H 1 2.105 0.030 . 2 . . . . 47 PRO HB3 . 11144 1 487 . 1 1 47 47 PRO HD2 H 1 2.623 0.030 . 1 . . . . 47 PRO HD2 . 11144 1 488 . 1 1 47 47 PRO HD3 H 1 2.623 0.030 . 1 . . . . 47 PRO HD3 . 11144 1 489 . 1 1 47 47 PRO HG2 H 1 1.594 0.030 . 1 . . . . 47 PRO HG2 . 11144 1 490 . 1 1 47 47 PRO HG3 H 1 1.594 0.030 . 1 . . . . 47 PRO HG3 . 11144 1 491 . 1 1 47 47 PRO CA C 13 65.387 0.300 . 1 . . . . 47 PRO CA . 11144 1 492 . 1 1 47 47 PRO CB C 13 31.606 0.300 . 1 . . . . 47 PRO CB . 11144 1 493 . 1 1 47 47 PRO CD C 13 50.094 0.300 . 1 . . . . 47 PRO CD . 11144 1 494 . 1 1 47 47 PRO CG C 13 27.143 0.300 . 1 . . . . 47 PRO CG . 11144 1 495 . 1 1 48 48 ASP HA H 1 4.467 0.030 . 1 . . . . 48 ASP HA . 11144 1 496 . 1 1 48 48 ASP HB2 H 1 2.637 0.030 . 1 . . . . 48 ASP HB2 . 11144 1 497 . 1 1 48 48 ASP HB3 H 1 2.637 0.030 . 1 . . . . 48 ASP HB3 . 11144 1 498 . 1 1 48 48 ASP C C 13 177.964 0.300 . 1 . . . . 48 ASP C . 11144 1 499 . 1 1 48 48 ASP CA C 13 56.410 0.300 . 1 . . . . 48 ASP CA . 11144 1 500 . 1 1 48 48 ASP CB C 13 40.151 0.300 . 1 . . . . 48 ASP CB . 11144 1 501 . 1 1 49 49 ARG H H 1 7.740 0.030 . 1 . . . . 49 ARG H . 11144 1 502 . 1 1 49 49 ARG HA H 1 4.408 0.030 . 1 . . . . 49 ARG HA . 11144 1 503 . 1 1 49 49 ARG HB2 H 1 1.824 0.030 . 2 . . . . 49 ARG HB2 . 11144 1 504 . 1 1 49 49 ARG HB3 H 1 1.520 0.030 . 2 . . . . 49 ARG HB3 . 11144 1 505 . 1 1 49 49 ARG HD2 H 1 2.849 0.030 . 1 . . . . 49 ARG HD2 . 11144 1 506 . 1 1 49 49 ARG HD3 H 1 2.849 0.030 . 1 . . . . 49 ARG HD3 . 11144 1 507 . 1 1 49 49 ARG HG2 H 1 1.408 0.030 . 2 . . . . 49 ARG HG2 . 11144 1 508 . 1 1 49 49 ARG HG3 H 1 1.353 0.030 . 2 . . . . 49 ARG HG3 . 11144 1 509 . 1 1 49 49 ARG C C 13 175.802 0.300 . 1 . . . . 49 ARG C . 11144 1 510 . 1 1 49 49 ARG CA C 13 55.895 0.300 . 1 . . . . 49 ARG CA . 11144 1 511 . 1 1 49 49 ARG CB C 13 31.095 0.300 . 1 . . . . 49 ARG CB . 11144 1 512 . 1 1 49 49 ARG CD C 13 42.486 0.300 . 1 . . . . 49 ARG CD . 11144 1 513 . 1 1 49 49 ARG CG C 13 27.333 0.300 . 1 . . . . 49 ARG CG . 11144 1 514 . 1 1 49 49 ARG N N 15 116.989 0.300 . 1 . . . . 49 ARG N . 11144 1 515 . 1 1 50 50 ASN H H 1 7.604 0.030 . 1 . . . . 50 ASN H . 11144 1 516 . 1 1 50 50 ASN HA H 1 4.898 0.030 . 1 . . . . 50 ASN HA . 11144 1 517 . 1 1 50 50 ASN HB2 H 1 2.341 0.030 . 2 . . . . 50 ASN HB2 . 11144 1 518 . 1 1 50 50 ASN HB3 H 1 2.768 0.030 . 2 . . . . 50 ASN HB3 . 11144 1 519 . 1 1 50 50 ASN HD21 H 1 6.958 0.030 . 2 . . . . 50 ASN HD21 . 11144 1 520 . 1 1 50 50 ASN HD22 H 1 7.652 0.030 . 2 . . . . 50 ASN HD22 . 11144 1 521 . 1 1 50 50 ASN C C 13 174.824 0.300 . 1 . . . . 50 ASN C . 11144 1 522 . 1 1 50 50 ASN CA C 13 53.160 0.300 . 1 . . . . 50 ASN CA . 11144 1 523 . 1 1 50 50 ASN CB C 13 40.688 0.300 . 1 . . . . 50 ASN CB . 11144 1 524 . 1 1 50 50 ASN N N 15 118.666 0.300 . 1 . . . . 50 ASN N . 11144 1 525 . 1 1 50 50 ASN ND2 N 15 115.293 0.300 . 1 . . . . 50 ASN ND2 . 11144 1 526 . 1 1 51 51 SER H H 1 8.488 0.030 . 1 . . . . 51 SER H . 11144 1 527 . 1 1 51 51 SER HA H 1 4.222 0.030 . 1 . . . . 51 SER HA . 11144 1 528 . 1 1 51 51 SER HB2 H 1 3.909 0.030 . 1 . . . . 51 SER HB2 . 11144 1 529 . 1 1 51 51 SER HB3 H 1 3.909 0.030 . 1 . . . . 51 SER HB3 . 11144 1 530 . 1 1 51 51 SER C C 13 175.611 0.300 . 1 . . . . 51 SER C . 11144 1 531 . 1 1 51 51 SER CA C 13 59.540 0.300 . 1 . . . . 51 SER CA . 11144 1 532 . 1 1 51 51 SER CB C 13 62.817 0.300 . 1 . . . . 51 SER CB . 11144 1 533 . 1 1 51 51 SER N N 15 115.926 0.300 . 1 . . . . 51 SER N . 11144 1 534 . 1 1 52 52 GLY H H 1 8.797 0.030 . 1 . . . . 52 GLY H . 11144 1 535 . 1 1 52 52 GLY HA2 H 1 3.812 0.030 . 2 . . . . 52 GLY HA2 . 11144 1 536 . 1 1 52 52 GLY HA3 H 1 4.003 0.030 . 2 . . . . 52 GLY HA3 . 11144 1 537 . 1 1 52 52 GLY C C 13 174.454 0.300 . 1 . . . . 52 GLY C . 11144 1 538 . 1 1 52 52 GLY CA C 13 45.744 0.300 . 1 . . . . 52 GLY CA . 11144 1 539 . 1 1 52 52 GLY N N 15 110.766 0.300 . 1 . . . . 52 GLY N . 11144 1 540 . 1 1 53 53 SER H H 1 7.628 0.030 . 1 . . . . 53 SER H . 11144 1 541 . 1 1 53 53 SER HA H 1 4.559 0.030 . 1 . . . . 53 SER HA . 11144 1 542 . 1 1 53 53 SER HB2 H 1 3.967 0.030 . 2 . . . . 53 SER HB2 . 11144 1 543 . 1 1 53 53 SER HB3 H 1 4.120 0.030 . 2 . . . . 53 SER HB3 . 11144 1 544 . 1 1 53 53 SER C C 13 175.750 0.300 . 1 . . . . 53 SER C . 11144 1 545 . 1 1 53 53 SER CA C 13 57.187 0.300 . 1 . . . . 53 SER CA . 11144 1 546 . 1 1 53 53 SER CB C 13 63.719 0.300 . 1 . . . . 53 SER CB . 11144 1 547 . 1 1 53 53 SER N N 15 113.854 0.300 . 1 . . . . 53 SER N . 11144 1 548 . 1 1 54 54 ALA H H 1 9.142 0.030 . 1 . . . . 54 ALA H . 11144 1 549 . 1 1 54 54 ALA HA H 1 4.237 0.030 . 1 . . . . 54 ALA HA . 11144 1 550 . 1 1 54 54 ALA HB1 H 1 1.485 0.030 . 1 . . . . 54 ALA HB . 11144 1 551 . 1 1 54 54 ALA HB2 H 1 1.485 0.030 . 1 . . . . 54 ALA HB . 11144 1 552 . 1 1 54 54 ALA HB3 H 1 1.485 0.030 . 1 . . . . 54 ALA HB . 11144 1 553 . 1 1 54 54 ALA C C 13 180.310 0.300 . 1 . . . . 54 ALA C . 11144 1 554 . 1 1 54 54 ALA CA C 13 54.902 0.300 . 1 . . . . 54 ALA CA . 11144 1 555 . 1 1 54 54 ALA CB C 13 18.144 0.300 . 1 . . . . 54 ALA CB . 11144 1 556 . 1 1 54 54 ALA N N 15 132.433 0.300 . 1 . . . . 54 ALA N . 11144 1 557 . 1 1 55 55 GLU H H 1 8.714 0.030 . 1 . . . . 55 GLU H . 11144 1 558 . 1 1 55 55 GLU HA H 1 4.112 0.030 . 1 . . . . 55 GLU HA . 11144 1 559 . 1 1 55 55 GLU HB2 H 1 1.954 0.030 . 2 . . . . 55 GLU HB2 . 11144 1 560 . 1 1 55 55 GLU HB3 H 1 2.061 0.030 . 2 . . . . 55 GLU HB3 . 11144 1 561 . 1 1 55 55 GLU HG2 H 1 2.321 0.030 . 1 . . . . 55 GLU HG2 . 11144 1 562 . 1 1 55 55 GLU HG3 H 1 2.321 0.030 . 1 . . . . 55 GLU HG3 . 11144 1 563 . 1 1 55 55 GLU C C 13 179.164 0.300 . 1 . . . . 55 GLU C . 11144 1 564 . 1 1 55 55 GLU CA C 13 59.479 0.300 . 1 . . . . 55 GLU CA . 11144 1 565 . 1 1 55 55 GLU CB C 13 29.304 0.300 . 1 . . . . 55 GLU CB . 11144 1 566 . 1 1 55 55 GLU CG C 13 36.607 0.300 . 1 . . . . 55 GLU CG . 11144 1 567 . 1 1 55 55 GLU N N 15 119.159 0.300 . 1 . . . . 55 GLU N . 11144 1 568 . 1 1 56 56 ALA H H 1 8.019 0.030 . 1 . . . . 56 ALA H . 11144 1 569 . 1 1 56 56 ALA HA H 1 4.176 0.030 . 1 . . . . 56 ALA HA . 11144 1 570 . 1 1 56 56 ALA HB1 H 1 1.565 0.030 . 1 . . . . 56 ALA HB . 11144 1 571 . 1 1 56 56 ALA HB2 H 1 1.565 0.030 . 1 . . . . 56 ALA HB . 11144 1 572 . 1 1 56 56 ALA HB3 H 1 1.565 0.030 . 1 . . . . 56 ALA HB . 11144 1 573 . 1 1 56 56 ALA C C 13 178.845 0.300 . 1 . . . . 56 ALA C . 11144 1 574 . 1 1 56 56 ALA CA C 13 55.157 0.300 . 1 . . . . 56 ALA CA . 11144 1 575 . 1 1 56 56 ALA CB C 13 18.039 0.300 . 1 . . . . 56 ALA CB . 11144 1 576 . 1 1 56 56 ALA N N 15 123.050 0.300 . 1 . . . . 56 ALA N . 11144 1 577 . 1 1 57 57 ALA H H 1 7.738 0.030 . 1 . . . . 57 ALA H . 11144 1 578 . 1 1 57 57 ALA HA H 1 4.232 0.030 . 1 . . . . 57 ALA HA . 11144 1 579 . 1 1 57 57 ALA HB1 H 1 1.514 0.030 . 1 . . . . 57 ALA HB . 11144 1 580 . 1 1 57 57 ALA HB2 H 1 1.514 0.030 . 1 . . . . 57 ALA HB . 11144 1 581 . 1 1 57 57 ALA HB3 H 1 1.514 0.030 . 1 . . . . 57 ALA HB . 11144 1 582 . 1 1 57 57 ALA C C 13 180.592 0.300 . 1 . . . . 57 ALA C . 11144 1 583 . 1 1 57 57 ALA CA C 13 55.143 0.300 . 1 . . . . 57 ALA CA . 11144 1 584 . 1 1 57 57 ALA CB C 13 17.958 0.300 . 1 . . . . 57 ALA CB . 11144 1 585 . 1 1 57 57 ALA N N 15 120.236 0.300 . 1 . . . . 57 ALA N . 11144 1 586 . 1 1 58 58 GLU H H 1 8.101 0.030 . 1 . . . . 58 GLU H . 11144 1 587 . 1 1 58 58 GLU HA H 1 4.101 0.030 . 1 . . . . 58 GLU HA . 11144 1 588 . 1 1 58 58 GLU HB2 H 1 2.107 0.030 . 1 . . . . 58 GLU HB2 . 11144 1 589 . 1 1 58 58 GLU HB3 H 1 2.107 0.030 . 1 . . . . 58 GLU HB3 . 11144 1 590 . 1 1 58 58 GLU HG2 H 1 2.369 0.030 . 2 . . . . 58 GLU HG2 . 11144 1 591 . 1 1 58 58 GLU HG3 H 1 2.251 0.030 . 2 . . . . 58 GLU HG3 . 11144 1 592 . 1 1 58 58 GLU C C 13 178.909 0.300 . 1 . . . . 58 GLU C . 11144 1 593 . 1 1 58 58 GLU CA C 13 59.344 0.300 . 1 . . . . 58 GLU CA . 11144 1 594 . 1 1 58 58 GLU CB C 13 29.100 0.300 . 1 . . . . 58 GLU CB . 11144 1 595 . 1 1 58 58 GLU CG C 13 36.010 0.300 . 1 . . . . 58 GLU CG . 11144 1 596 . 1 1 58 58 GLU N N 15 119.902 0.300 . 1 . . . . 58 GLU N . 11144 1 597 . 1 1 59 59 ARG H H 1 7.891 0.030 . 1 . . . . 59 ARG H . 11144 1 598 . 1 1 59 59 ARG HA H 1 3.835 0.030 . 1 . . . . 59 ARG HA . 11144 1 599 . 1 1 59 59 ARG HB2 H 1 1.697 0.030 . 2 . . . . 59 ARG HB2 . 11144 1 600 . 1 1 59 59 ARG HB3 H 1 1.580 0.030 . 2 . . . . 59 ARG HB3 . 11144 1 601 . 1 1 59 59 ARG HD2 H 1 2.613 0.030 . 2 . . . . 59 ARG HD2 . 11144 1 602 . 1 1 59 59 ARG HD3 H 1 2.854 0.030 . 2 . . . . 59 ARG HD3 . 11144 1 603 . 1 1 59 59 ARG HG2 H 1 1.094 0.030 . 2 . . . . 59 ARG HG2 . 11144 1 604 . 1 1 59 59 ARG HG3 H 1 1.362 0.030 . 2 . . . . 59 ARG HG3 . 11144 1 605 . 1 1 59 59 ARG C C 13 178.298 0.300 . 1 . . . . 59 ARG C . 11144 1 606 . 1 1 59 59 ARG CA C 13 59.360 0.300 . 1 . . . . 59 ARG CA . 11144 1 607 . 1 1 59 59 ARG CB C 13 29.507 0.300 . 1 . . . . 59 ARG CB . 11144 1 608 . 1 1 59 59 ARG CD C 13 42.840 0.300 . 1 . . . . 59 ARG CD . 11144 1 609 . 1 1 59 59 ARG CG C 13 27.249 0.300 . 1 . . . . 59 ARG CG . 11144 1 610 . 1 1 59 59 ARG N N 15 120.319 0.300 . 1 . . . . 59 ARG N . 11144 1 611 . 1 1 60 60 PHE H H 1 8.867 0.030 . 1 . . . . 60 PHE H . 11144 1 612 . 1 1 60 60 PHE HA H 1 3.975 0.030 . 1 . . . . 60 PHE HA . 11144 1 613 . 1 1 60 60 PHE HB2 H 1 3.226 0.030 . 2 . . . . 60 PHE HB2 . 11144 1 614 . 1 1 60 60 PHE HB3 H 1 3.109 0.030 . 2 . . . . 60 PHE HB3 . 11144 1 615 . 1 1 60 60 PHE HD1 H 1 7.035 0.030 . 1 . . . . 60 PHE HD1 . 11144 1 616 . 1 1 60 60 PHE HD2 H 1 7.035 0.030 . 1 . . . . 60 PHE HD2 . 11144 1 617 . 1 1 60 60 PHE HE1 H 1 7.301 0.030 . 1 . . . . 60 PHE HE1 . 11144 1 618 . 1 1 60 60 PHE HE2 H 1 7.301 0.030 . 1 . . . . 60 PHE HE2 . 11144 1 619 . 1 1 60 60 PHE HZ H 1 7.291 0.030 . 1 . . . . 60 PHE HZ . 11144 1 620 . 1 1 60 60 PHE C C 13 178.534 0.300 . 1 . . . . 60 PHE C . 11144 1 621 . 1 1 60 60 PHE CA C 13 62.289 0.300 . 1 . . . . 60 PHE CA . 11144 1 622 . 1 1 60 60 PHE CB C 13 38.901 0.300 . 1 . . . . 60 PHE CB . 11144 1 623 . 1 1 60 60 PHE CD1 C 13 131.460 0.300 . 1 . . . . 60 PHE CD1 . 11144 1 624 . 1 1 60 60 PHE CD2 C 13 131.460 0.300 . 1 . . . . 60 PHE CD2 . 11144 1 625 . 1 1 60 60 PHE CE1 C 13 131.453 0.300 . 1 . . . . 60 PHE CE1 . 11144 1 626 . 1 1 60 60 PHE CE2 C 13 131.453 0.300 . 1 . . . . 60 PHE CE2 . 11144 1 627 . 1 1 60 60 PHE CZ C 13 130.219 0.300 . 1 . . . . 60 PHE CZ . 11144 1 628 . 1 1 60 60 PHE N N 15 119.740 0.300 . 1 . . . . 60 PHE N . 11144 1 629 . 1 1 61 61 THR H H 1 8.275 0.030 . 1 . . . . 61 THR H . 11144 1 630 . 1 1 61 61 THR HA H 1 3.870 0.030 . 1 . . . . 61 THR HA . 11144 1 631 . 1 1 61 61 THR HB H 1 4.367 0.030 . 1 . . . . 61 THR HB . 11144 1 632 . 1 1 61 61 THR HG21 H 1 1.240 0.030 . 1 . . . . 61 THR HG2 . 11144 1 633 . 1 1 61 61 THR HG22 H 1 1.240 0.030 . 1 . . . . 61 THR HG2 . 11144 1 634 . 1 1 61 61 THR HG23 H 1 1.240 0.030 . 1 . . . . 61 THR HG2 . 11144 1 635 . 1 1 61 61 THR C C 13 176.450 0.300 . 1 . . . . 61 THR C . 11144 1 636 . 1 1 61 61 THR CA C 13 67.005 0.300 . 1 . . . . 61 THR CA . 11144 1 637 . 1 1 61 61 THR CB C 13 68.615 0.300 . 1 . . . . 61 THR CB . 11144 1 638 . 1 1 61 61 THR CG2 C 13 21.846 0.300 . 1 . . . . 61 THR CG2 . 11144 1 639 . 1 1 61 61 THR N N 15 117.840 0.300 . 1 . . . . 61 THR N . 11144 1 640 . 1 1 62 62 ARG H H 1 7.774 0.030 . 1 . . . . 62 ARG H . 11144 1 641 . 1 1 62 62 ARG HA H 1 4.030 0.030 . 1 . . . . 62 ARG HA . 11144 1 642 . 1 1 62 62 ARG HB2 H 1 1.817 0.030 . 2 . . . . 62 ARG HB2 . 11144 1 643 . 1 1 62 62 ARG HB3 H 1 1.952 0.030 . 2 . . . . 62 ARG HB3 . 11144 1 644 . 1 1 62 62 ARG HD2 H 1 3.138 0.030 . 1 . . . . 62 ARG HD2 . 11144 1 645 . 1 1 62 62 ARG HD3 H 1 3.138 0.030 . 1 . . . . 62 ARG HD3 . 11144 1 646 . 1 1 62 62 ARG HG2 H 1 1.625 0.030 . 2 . . . . 62 ARG HG2 . 11144 1 647 . 1 1 62 62 ARG HG3 H 1 1.863 0.030 . 2 . . . . 62 ARG HG3 . 11144 1 648 . 1 1 62 62 ARG C C 13 179.550 0.300 . 1 . . . . 62 ARG C . 11144 1 649 . 1 1 62 62 ARG CA C 13 59.642 0.300 . 1 . . . . 62 ARG CA . 11144 1 650 . 1 1 62 62 ARG CB C 13 30.058 0.300 . 1 . . . . 62 ARG CB . 11144 1 651 . 1 1 62 62 ARG CD C 13 43.599 0.300 . 1 . . . . 62 ARG CD . 11144 1 652 . 1 1 62 62 ARG CG C 13 27.855 0.300 . 1 . . . . 62 ARG CG . 11144 1 653 . 1 1 62 62 ARG N N 15 121.614 0.300 . 1 . . . . 62 ARG N . 11144 1 654 . 1 1 63 63 ILE H H 1 8.576 0.030 . 1 . . . . 63 ILE H . 11144 1 655 . 1 1 63 63 ILE HA H 1 3.481 0.030 . 1 . . . . 63 ILE HA . 11144 1 656 . 1 1 63 63 ILE HB H 1 1.778 0.030 . 1 . . . . 63 ILE HB . 11144 1 657 . 1 1 63 63 ILE HD11 H 1 0.786 0.030 . 1 . . . . 63 ILE HD1 . 11144 1 658 . 1 1 63 63 ILE HD12 H 1 0.786 0.030 . 1 . . . . 63 ILE HD1 . 11144 1 659 . 1 1 63 63 ILE HD13 H 1 0.786 0.030 . 1 . . . . 63 ILE HD1 . 11144 1 660 . 1 1 63 63 ILE HG12 H 1 1.017 0.030 . 2 . . . . 63 ILE HG12 . 11144 1 661 . 1 1 63 63 ILE HG13 H 1 1.665 0.030 . 2 . . . . 63 ILE HG13 . 11144 1 662 . 1 1 63 63 ILE HG21 H 1 0.871 0.030 . 1 . . . . 63 ILE HG2 . 11144 1 663 . 1 1 63 63 ILE HG22 H 1 0.871 0.030 . 1 . . . . 63 ILE HG2 . 11144 1 664 . 1 1 63 63 ILE HG23 H 1 0.871 0.030 . 1 . . . . 63 ILE HG2 . 11144 1 665 . 1 1 63 63 ILE C C 13 177.236 0.300 . 1 . . . . 63 ILE C . 11144 1 666 . 1 1 63 63 ILE CA C 13 65.472 0.300 . 1 . . . . 63 ILE CA . 11144 1 667 . 1 1 63 63 ILE CB C 13 38.136 0.300 . 1 . . . . 63 ILE CB . 11144 1 668 . 1 1 63 63 ILE CD1 C 13 15.556 0.300 . 1 . . . . 63 ILE CD1 . 11144 1 669 . 1 1 63 63 ILE CG1 C 13 29.463 0.300 . 1 . . . . 63 ILE CG1 . 11144 1 670 . 1 1 63 63 ILE CG2 C 13 18.228 0.300 . 1 . . . . 63 ILE CG2 . 11144 1 671 . 1 1 63 63 ILE N N 15 121.259 0.300 . 1 . . . . 63 ILE N . 11144 1 672 . 1 1 64 64 SER H H 1 7.939 0.030 . 1 . . . . 64 SER H . 11144 1 673 . 1 1 64 64 SER HA H 1 4.103 0.030 . 1 . . . . 64 SER HA . 11144 1 674 . 1 1 64 64 SER HB2 H 1 3.798 0.030 . 2 . . . . 64 SER HB2 . 11144 1 675 . 1 1 64 64 SER HB3 H 1 3.942 0.030 . 2 . . . . 64 SER HB3 . 11144 1 676 . 1 1 64 64 SER C C 13 176.459 0.300 . 1 . . . . 64 SER C . 11144 1 677 . 1 1 64 64 SER CA C 13 62.515 0.300 . 1 . . . . 64 SER CA . 11144 1 678 . 1 1 64 64 SER CB C 13 62.467 0.300 . 1 . . . . 64 SER CB . 11144 1 679 . 1 1 64 64 SER N N 15 115.752 0.300 . 1 . . . . 64 SER N . 11144 1 680 . 1 1 65 65 GLN H H 1 7.892 0.030 . 1 . . . . 65 GLN H . 11144 1 681 . 1 1 65 65 GLN HA H 1 3.934 0.030 . 1 . . . . 65 GLN HA . 11144 1 682 . 1 1 65 65 GLN HB2 H 1 1.922 0.030 . 2 . . . . 65 GLN HB2 . 11144 1 683 . 1 1 65 65 GLN HB3 H 1 2.088 0.030 . 2 . . . . 65 GLN HB3 . 11144 1 684 . 1 1 65 65 GLN HE21 H 1 6.733 0.030 . 2 . . . . 65 GLN HE21 . 11144 1 685 . 1 1 65 65 GLN HE22 H 1 7.277 0.030 . 2 . . . . 65 GLN HE22 . 11144 1 686 . 1 1 65 65 GLN HG2 H 1 2.261 0.030 . 2 . . . . 65 GLN HG2 . 11144 1 687 . 1 1 65 65 GLN HG3 H 1 2.444 0.030 . 2 . . . . 65 GLN HG3 . 11144 1 688 . 1 1 65 65 GLN C C 13 177.884 0.300 . 1 . . . . 65 GLN C . 11144 1 689 . 1 1 65 65 GLN CA C 13 58.482 0.300 . 1 . . . . 65 GLN CA . 11144 1 690 . 1 1 65 65 GLN CB C 13 28.174 0.300 . 1 . . . . 65 GLN CB . 11144 1 691 . 1 1 65 65 GLN CG C 13 33.851 0.300 . 1 . . . . 65 GLN CG . 11144 1 692 . 1 1 65 65 GLN N N 15 120.988 0.300 . 1 . . . . 65 GLN N . 11144 1 693 . 1 1 65 65 GLN NE2 N 15 110.855 0.300 . 1 . . . . 65 GLN NE2 . 11144 1 694 . 1 1 66 66 ALA H H 1 8.009 0.030 . 1 . . . . 66 ALA H . 11144 1 695 . 1 1 66 66 ALA HA H 1 3.784 0.030 . 1 . . . . 66 ALA HA . 11144 1 696 . 1 1 66 66 ALA HB1 H 1 1.412 0.030 . 1 . . . . 66 ALA HB . 11144 1 697 . 1 1 66 66 ALA HB2 H 1 1.412 0.030 . 1 . . . . 66 ALA HB . 11144 1 698 . 1 1 66 66 ALA HB3 H 1 1.412 0.030 . 1 . . . . 66 ALA HB . 11144 1 699 . 1 1 66 66 ALA C C 13 178.728 0.300 . 1 . . . . 66 ALA C . 11144 1 700 . 1 1 66 66 ALA CA C 13 54.863 0.300 . 1 . . . . 66 ALA CA . 11144 1 701 . 1 1 66 66 ALA CB C 13 18.470 0.300 . 1 . . . . 66 ALA CB . 11144 1 702 . 1 1 66 66 ALA N N 15 120.520 0.300 . 1 . . . . 66 ALA N . 11144 1 703 . 1 1 67 67 TYR H H 1 7.884 0.030 . 1 . . . . 67 TYR H . 11144 1 704 . 1 1 67 67 TYR HA H 1 3.817 0.030 . 1 . . . . 67 TYR HA . 11144 1 705 . 1 1 67 67 TYR HB2 H 1 2.470 0.030 . 2 . . . . 67 TYR HB2 . 11144 1 706 . 1 1 67 67 TYR HB3 H 1 2.347 0.030 . 2 . . . . 67 TYR HB3 . 11144 1 707 . 1 1 67 67 TYR HD1 H 1 6.255 0.030 . 1 . . . . 67 TYR HD1 . 11144 1 708 . 1 1 67 67 TYR HD2 H 1 6.255 0.030 . 1 . . . . 67 TYR HD2 . 11144 1 709 . 1 1 67 67 TYR HE1 H 1 6.396 0.030 . 1 . . . . 67 TYR HE1 . 11144 1 710 . 1 1 67 67 TYR HE2 H 1 6.396 0.030 . 1 . . . . 67 TYR HE2 . 11144 1 711 . 1 1 67 67 TYR C C 13 177.587 0.300 . 1 . . . . 67 TYR C . 11144 1 712 . 1 1 67 67 TYR CA C 13 60.356 0.300 . 1 . . . . 67 TYR CA . 11144 1 713 . 1 1 67 67 TYR CB C 13 39.120 0.300 . 1 . . . . 67 TYR CB . 11144 1 714 . 1 1 67 67 TYR CD1 C 13 132.063 0.300 . 1 . . . . 67 TYR CD1 . 11144 1 715 . 1 1 67 67 TYR CD2 C 13 132.063 0.300 . 1 . . . . 67 TYR CD2 . 11144 1 716 . 1 1 67 67 TYR CE1 C 13 117.242 0.300 . 1 . . . . 67 TYR CE1 . 11144 1 717 . 1 1 67 67 TYR CE2 C 13 117.242 0.300 . 1 . . . . 67 TYR CE2 . 11144 1 718 . 1 1 67 67 TYR N N 15 116.633 0.300 . 1 . . . . 67 TYR N . 11144 1 719 . 1 1 68 68 VAL H H 1 7.633 0.030 . 1 . . . . 68 VAL H . 11144 1 720 . 1 1 68 68 VAL HA H 1 3.115 0.030 . 1 . . . . 68 VAL HA . 11144 1 721 . 1 1 68 68 VAL HB H 1 2.098 0.030 . 1 . . . . 68 VAL HB . 11144 1 722 . 1 1 68 68 VAL HG11 H 1 0.724 0.030 . 1 . . . . 68 VAL HG1 . 11144 1 723 . 1 1 68 68 VAL HG12 H 1 0.724 0.030 . 1 . . . . 68 VAL HG1 . 11144 1 724 . 1 1 68 68 VAL HG13 H 1 0.724 0.030 . 1 . . . . 68 VAL HG1 . 11144 1 725 . 1 1 68 68 VAL HG21 H 1 0.944 0.030 . 1 . . . . 68 VAL HG2 . 11144 1 726 . 1 1 68 68 VAL HG22 H 1 0.944 0.030 . 1 . . . . 68 VAL HG2 . 11144 1 727 . 1 1 68 68 VAL HG23 H 1 0.944 0.030 . 1 . . . . 68 VAL HG2 . 11144 1 728 . 1 1 68 68 VAL C C 13 176.607 0.300 . 1 . . . . 68 VAL C . 11144 1 729 . 1 1 68 68 VAL CA C 13 66.472 0.300 . 1 . . . . 68 VAL CA . 11144 1 730 . 1 1 68 68 VAL CB C 13 31.230 0.300 . 1 . . . . 68 VAL CB . 11144 1 731 . 1 1 68 68 VAL CG1 C 13 20.869 0.300 . 2 . . . . 68 VAL CG1 . 11144 1 732 . 1 1 68 68 VAL CG2 C 13 22.992 0.300 . 2 . . . . 68 VAL CG2 . 11144 1 733 . 1 1 68 68 VAL N N 15 121.897 0.300 . 1 . . . . 68 VAL N . 11144 1 734 . 1 1 69 69 VAL H H 1 6.596 0.030 . 1 . . . . 69 VAL H . 11144 1 735 . 1 1 69 69 VAL HA H 1 3.522 0.030 . 1 . . . . 69 VAL HA . 11144 1 736 . 1 1 69 69 VAL HB H 1 1.536 0.030 . 1 . . . . 69 VAL HB . 11144 1 737 . 1 1 69 69 VAL HG11 H 1 0.323 0.030 . 1 . . . . 69 VAL HG1 . 11144 1 738 . 1 1 69 69 VAL HG12 H 1 0.323 0.030 . 1 . . . . 69 VAL HG1 . 11144 1 739 . 1 1 69 69 VAL HG13 H 1 0.323 0.030 . 1 . . . . 69 VAL HG1 . 11144 1 740 . 1 1 69 69 VAL HG21 H 1 0.731 0.030 . 1 . . . . 69 VAL HG2 . 11144 1 741 . 1 1 69 69 VAL HG22 H 1 0.731 0.030 . 1 . . . . 69 VAL HG2 . 11144 1 742 . 1 1 69 69 VAL HG23 H 1 0.731 0.030 . 1 . . . . 69 VAL HG2 . 11144 1 743 . 1 1 69 69 VAL C C 13 175.952 0.300 . 1 . . . . 69 VAL C . 11144 1 744 . 1 1 69 69 VAL CA C 13 64.736 0.300 . 1 . . . . 69 VAL CA . 11144 1 745 . 1 1 69 69 VAL CB C 13 32.373 0.300 . 1 . . . . 69 VAL CB . 11144 1 746 . 1 1 69 69 VAL CG1 C 13 21.865 0.300 . 2 . . . . 69 VAL CG1 . 11144 1 747 . 1 1 69 69 VAL CG2 C 13 22.686 0.300 . 2 . . . . 69 VAL CG2 . 11144 1 748 . 1 1 69 69 VAL N N 15 114.549 0.300 . 1 . . . . 69 VAL N . 11144 1 749 . 1 1 70 70 LEU H H 1 8.201 0.030 . 1 . . . . 70 LEU H . 11144 1 750 . 1 1 70 70 LEU HA H 1 3.629 0.030 . 1 . . . . 70 LEU HA . 11144 1 751 . 1 1 70 70 LEU HB2 H 1 1.375 0.030 . 2 . . . . 70 LEU HB2 . 11144 1 752 . 1 1 70 70 LEU HB3 H 1 1.144 0.030 . 2 . . . . 70 LEU HB3 . 11144 1 753 . 1 1 70 70 LEU HD11 H 1 0.092 0.030 . 1 . . . . 70 LEU HD1 . 11144 1 754 . 1 1 70 70 LEU HD12 H 1 0.092 0.030 . 1 . . . . 70 LEU HD1 . 11144 1 755 . 1 1 70 70 LEU HD13 H 1 0.092 0.030 . 1 . . . . 70 LEU HD1 . 11144 1 756 . 1 1 70 70 LEU HD21 H 1 0.161 0.030 . 1 . . . . 70 LEU HD2 . 11144 1 757 . 1 1 70 70 LEU HD22 H 1 0.161 0.030 . 1 . . . . 70 LEU HD2 . 11144 1 758 . 1 1 70 70 LEU HD23 H 1 0.161 0.030 . 1 . . . . 70 LEU HD2 . 11144 1 759 . 1 1 70 70 LEU HG H 1 1.334 0.030 . 1 . . . . 70 LEU HG . 11144 1 760 . 1 1 70 70 LEU C C 13 177.495 0.300 . 1 . . . . 70 LEU C . 11144 1 761 . 1 1 70 70 LEU CA C 13 56.468 0.300 . 1 . . . . 70 LEU CA . 11144 1 762 . 1 1 70 70 LEU CB C 13 42.246 0.300 . 1 . . . . 70 LEU CB . 11144 1 763 . 1 1 70 70 LEU CD1 C 13 25.504 0.300 . 2 . . . . 70 LEU CD1 . 11144 1 764 . 1 1 70 70 LEU CD2 C 13 22.689 0.300 . 2 . . . . 70 LEU CD2 . 11144 1 765 . 1 1 70 70 LEU CG C 13 25.649 0.300 . 1 . . . . 70 LEU CG . 11144 1 766 . 1 1 70 70 LEU N N 15 111.434 0.300 . 1 . . . . 70 LEU N . 11144 1 767 . 1 1 71 71 GLY H H 1 8.000 0.030 . 1 . . . . 71 GLY H . 11144 1 768 . 1 1 71 71 GLY HA2 H 1 2.762 0.030 . 2 . . . . 71 GLY HA2 . 11144 1 769 . 1 1 71 71 GLY HA3 H 1 3.846 0.030 . 2 . . . . 71 GLY HA3 . 11144 1 770 . 1 1 71 71 GLY C C 13 173.390 0.300 . 1 . . . . 71 GLY C . 11144 1 771 . 1 1 71 71 GLY CA C 13 44.601 0.300 . 1 . . . . 71 GLY CA . 11144 1 772 . 1 1 71 71 GLY N N 15 102.849 0.300 . 1 . . . . 71 GLY N . 11144 1 773 . 1 1 72 72 SER H H 1 6.812 0.030 . 1 . . . . 72 SER H . 11144 1 774 . 1 1 72 72 SER HA H 1 4.658 0.030 . 1 . . . . 72 SER HA . 11144 1 775 . 1 1 72 72 SER HB2 H 1 3.905 0.030 . 1 . . . . 72 SER HB2 . 11144 1 776 . 1 1 72 72 SER HB3 H 1 3.905 0.030 . 1 . . . . 72 SER HB3 . 11144 1 777 . 1 1 72 72 SER C C 13 174.262 0.300 . 1 . . . . 72 SER C . 11144 1 778 . 1 1 72 72 SER CA C 13 54.287 0.300 . 1 . . . . 72 SER CA . 11144 1 779 . 1 1 72 72 SER CB C 13 63.564 0.300 . 1 . . . . 72 SER CB . 11144 1 780 . 1 1 72 72 SER N N 15 115.270 0.300 . 1 . . . . 72 SER N . 11144 1 781 . 1 1 73 73 ALA H H 1 9.023 0.030 . 1 . . . . 73 ALA H . 11144 1 782 . 1 1 73 73 ALA HA H 1 3.980 0.030 . 1 . . . . 73 ALA HA . 11144 1 783 . 1 1 73 73 ALA HB1 H 1 1.452 0.030 . 1 . . . . 73 ALA HB . 11144 1 784 . 1 1 73 73 ALA HB2 H 1 1.452 0.030 . 1 . . . . 73 ALA HB . 11144 1 785 . 1 1 73 73 ALA HB3 H 1 1.452 0.030 . 1 . . . . 73 ALA HB . 11144 1 786 . 1 1 73 73 ALA C C 13 180.506 0.300 . 1 . . . . 73 ALA C . 11144 1 787 . 1 1 73 73 ALA CA C 13 55.830 0.300 . 1 . . . . 73 ALA CA . 11144 1 788 . 1 1 73 73 ALA CB C 13 18.243 0.300 . 1 . . . . 73 ALA CB . 11144 1 789 . 1 1 73 73 ALA N N 15 131.060 0.300 . 1 . . . . 73 ALA N . 11144 1 790 . 1 1 74 74 THR H H 1 7.967 0.030 . 1 . . . . 74 THR H . 11144 1 791 . 1 1 74 74 THR HA H 1 3.998 0.030 . 1 . . . . 74 THR HA . 11144 1 792 . 1 1 74 74 THR HB H 1 3.965 0.030 . 1 . . . . 74 THR HB . 11144 1 793 . 1 1 74 74 THR HG21 H 1 1.202 0.030 . 1 . . . . 74 THR HG2 . 11144 1 794 . 1 1 74 74 THR HG22 H 1 1.202 0.030 . 1 . . . . 74 THR HG2 . 11144 1 795 . 1 1 74 74 THR HG23 H 1 1.202 0.030 . 1 . . . . 74 THR HG2 . 11144 1 796 . 1 1 74 74 THR C C 13 177.180 0.300 . 1 . . . . 74 THR C . 11144 1 797 . 1 1 74 74 THR CA C 13 65.346 0.300 . 1 . . . . 74 THR CA . 11144 1 798 . 1 1 74 74 THR CB C 13 68.734 0.300 . 1 . . . . 74 THR CB . 11144 1 799 . 1 1 74 74 THR CG2 C 13 21.990 0.300 . 1 . . . . 74 THR CG2 . 11144 1 800 . 1 1 74 74 THR N N 15 110.548 0.300 . 1 . . . . 74 THR N . 11144 1 801 . 1 1 75 75 LEU H H 1 7.976 0.030 . 1 . . . . 75 LEU H . 11144 1 802 . 1 1 75 75 LEU HA H 1 4.034 0.030 . 1 . . . . 75 LEU HA . 11144 1 803 . 1 1 75 75 LEU HB2 H 1 2.397 0.030 . 2 . . . . 75 LEU HB2 . 11144 1 804 . 1 1 75 75 LEU HB3 H 1 1.276 0.030 . 2 . . . . 75 LEU HB3 . 11144 1 805 . 1 1 75 75 LEU HD11 H 1 0.878 0.030 . 1 . . . . 75 LEU HD1 . 11144 1 806 . 1 1 75 75 LEU HD12 H 1 0.878 0.030 . 1 . . . . 75 LEU HD1 . 11144 1 807 . 1 1 75 75 LEU HD13 H 1 0.878 0.030 . 1 . . . . 75 LEU HD1 . 11144 1 808 . 1 1 75 75 LEU HD21 H 1 0.730 0.030 . 1 . . . . 75 LEU HD2 . 11144 1 809 . 1 1 75 75 LEU HD22 H 1 0.730 0.030 . 1 . . . . 75 LEU HD2 . 11144 1 810 . 1 1 75 75 LEU HD23 H 1 0.730 0.030 . 1 . . . . 75 LEU HD2 . 11144 1 811 . 1 1 75 75 LEU HG H 1 1.701 0.030 . 1 . . . . 75 LEU HG . 11144 1 812 . 1 1 75 75 LEU C C 13 178.409 0.300 . 1 . . . . 75 LEU C . 11144 1 813 . 1 1 75 75 LEU CA C 13 57.733 0.300 . 1 . . . . 75 LEU CA . 11144 1 814 . 1 1 75 75 LEU CB C 13 41.462 0.300 . 1 . . . . 75 LEU CB . 11144 1 815 . 1 1 75 75 LEU CD1 C 13 25.619 0.300 . 2 . . . . 75 LEU CD1 . 11144 1 816 . 1 1 75 75 LEU CD2 C 13 22.914 0.300 . 2 . . . . 75 LEU CD2 . 11144 1 817 . 1 1 75 75 LEU CG C 13 26.998 0.300 . 1 . . . . 75 LEU CG . 11144 1 818 . 1 1 75 75 LEU N N 15 123.308 0.300 . 1 . . . . 75 LEU N . 11144 1 819 . 1 1 76 76 ARG H H 1 9.160 0.030 . 1 . . . . 76 ARG H . 11144 1 820 . 1 1 76 76 ARG HA H 1 3.621 0.030 . 1 . . . . 76 ARG HA . 11144 1 821 . 1 1 76 76 ARG HB2 H 1 2.327 0.030 . 2 . . . . 76 ARG HB2 . 11144 1 822 . 1 1 76 76 ARG HB3 H 1 1.745 0.030 . 2 . . . . 76 ARG HB3 . 11144 1 823 . 1 1 76 76 ARG HD2 H 1 3.184 0.030 . 2 . . . . 76 ARG HD2 . 11144 1 824 . 1 1 76 76 ARG HD3 H 1 3.493 0.030 . 2 . . . . 76 ARG HD3 . 11144 1 825 . 1 1 76 76 ARG HE H 1 8.127 0.030 . 1 . . . . 76 ARG HE . 11144 1 826 . 1 1 76 76 ARG HG2 H 1 1.763 0.030 . 2 . . . . 76 ARG HG2 . 11144 1 827 . 1 1 76 76 ARG HG3 H 1 1.813 0.030 . 2 . . . . 76 ARG HG3 . 11144 1 828 . 1 1 76 76 ARG C C 13 177.962 0.300 . 1 . . . . 76 ARG C . 11144 1 829 . 1 1 76 76 ARG CA C 13 60.523 0.300 . 1 . . . . 76 ARG CA . 11144 1 830 . 1 1 76 76 ARG CB C 13 29.883 0.300 . 1 . . . . 76 ARG CB . 11144 1 831 . 1 1 76 76 ARG CD C 13 44.303 0.300 . 1 . . . . 76 ARG CD . 11144 1 832 . 1 1 76 76 ARG CG C 13 26.933 0.300 . 1 . . . . 76 ARG CG . 11144 1 833 . 1 1 76 76 ARG N N 15 122.760 0.300 . 1 . . . . 76 ARG N . 11144 1 834 . 1 1 76 76 ARG NE N 15 87.573 0.300 . 1 . . . . 76 ARG NE . 11144 1 835 . 1 1 77 77 ARG H H 1 7.317 0.030 . 1 . . . . 77 ARG H . 11144 1 836 . 1 1 77 77 ARG HA H 1 4.203 0.030 . 1 . . . . 77 ARG HA . 11144 1 837 . 1 1 77 77 ARG HB2 H 1 1.937 0.030 . 1 . . . . 77 ARG HB2 . 11144 1 838 . 1 1 77 77 ARG HB3 H 1 1.937 0.030 . 1 . . . . 77 ARG HB3 . 11144 1 839 . 1 1 77 77 ARG HD2 H 1 3.247 0.030 . 2 . . . . 77 ARG HD2 . 11144 1 840 . 1 1 77 77 ARG HD3 H 1 3.137 0.030 . 2 . . . . 77 ARG HD3 . 11144 1 841 . 1 1 77 77 ARG HG2 H 1 1.632 0.030 . 2 . . . . 77 ARG HG2 . 11144 1 842 . 1 1 77 77 ARG HG3 H 1 1.770 0.030 . 2 . . . . 77 ARG HG3 . 11144 1 843 . 1 1 77 77 ARG C C 13 178.640 0.300 . 1 . . . . 77 ARG C . 11144 1 844 . 1 1 77 77 ARG CA C 13 59.239 0.300 . 1 . . . . 77 ARG CA . 11144 1 845 . 1 1 77 77 ARG CB C 13 29.833 0.300 . 1 . . . . 77 ARG CB . 11144 1 846 . 1 1 77 77 ARG CD C 13 43.434 0.300 . 1 . . . . 77 ARG CD . 11144 1 847 . 1 1 77 77 ARG CG C 13 27.471 0.300 . 1 . . . . 77 ARG CG . 11144 1 848 . 1 1 77 77 ARG N N 15 116.755 0.300 . 1 . . . . 77 ARG N . 11144 1 849 . 1 1 78 78 LYS H H 1 7.338 0.030 . 1 . . . . 78 LYS H . 11144 1 850 . 1 1 78 78 LYS HA H 1 3.868 0.030 . 1 . . . . 78 LYS HA . 11144 1 851 . 1 1 78 78 LYS HB2 H 1 1.997 0.030 . 2 . . . . 78 LYS HB2 . 11144 1 852 . 1 1 78 78 LYS HB3 H 1 1.566 0.030 . 2 . . . . 78 LYS HB3 . 11144 1 853 . 1 1 78 78 LYS HD2 H 1 1.582 0.030 . 1 . . . . 78 LYS HD2 . 11144 1 854 . 1 1 78 78 LYS HD3 H 1 1.582 0.030 . 1 . . . . 78 LYS HD3 . 11144 1 855 . 1 1 78 78 LYS HE2 H 1 2.850 0.030 . 2 . . . . 78 LYS HE2 . 11144 1 856 . 1 1 78 78 LYS HE3 H 1 2.931 0.030 . 2 . . . . 78 LYS HE3 . 11144 1 857 . 1 1 78 78 LYS HG2 H 1 1.225 0.030 . 2 . . . . 78 LYS HG2 . 11144 1 858 . 1 1 78 78 LYS HG3 H 1 1.740 0.030 . 2 . . . . 78 LYS HG3 . 11144 1 859 . 1 1 78 78 LYS C C 13 178.738 0.300 . 1 . . . . 78 LYS C . 11144 1 860 . 1 1 78 78 LYS CA C 13 60.765 0.300 . 1 . . . . 78 LYS CA . 11144 1 861 . 1 1 78 78 LYS CB C 13 33.180 0.300 . 1 . . . . 78 LYS CB . 11144 1 862 . 1 1 78 78 LYS CD C 13 29.998 0.300 . 1 . . . . 78 LYS CD . 11144 1 863 . 1 1 78 78 LYS CE C 13 41.876 0.300 . 1 . . . . 78 LYS CE . 11144 1 864 . 1 1 78 78 LYS CG C 13 26.558 0.300 . 1 . . . . 78 LYS CG . 11144 1 865 . 1 1 78 78 LYS N N 15 117.338 0.300 . 1 . . . . 78 LYS N . 11144 1 866 . 1 1 79 79 TYR H H 1 8.955 0.030 . 1 . . . . 79 TYR H . 11144 1 867 . 1 1 79 79 TYR HA H 1 4.367 0.030 . 1 . . . . 79 TYR HA . 11144 1 868 . 1 1 79 79 TYR HB2 H 1 3.280 0.030 . 2 . . . . 79 TYR HB2 . 11144 1 869 . 1 1 79 79 TYR HB3 H 1 2.945 0.030 . 2 . . . . 79 TYR HB3 . 11144 1 870 . 1 1 79 79 TYR HD1 H 1 7.042 0.030 . 1 . . . . 79 TYR HD1 . 11144 1 871 . 1 1 79 79 TYR HD2 H 1 7.042 0.030 . 1 . . . . 79 TYR HD2 . 11144 1 872 . 1 1 79 79 TYR HE1 H 1 6.706 0.030 . 1 . . . . 79 TYR HE1 . 11144 1 873 . 1 1 79 79 TYR HE2 H 1 6.706 0.030 . 1 . . . . 79 TYR HE2 . 11144 1 874 . 1 1 79 79 TYR C C 13 179.740 0.300 . 1 . . . . 79 TYR C . 11144 1 875 . 1 1 79 79 TYR CA C 13 60.898 0.300 . 1 . . . . 79 TYR CA . 11144 1 876 . 1 1 79 79 TYR CB C 13 38.229 0.300 . 1 . . . . 79 TYR CB . 11144 1 877 . 1 1 79 79 TYR CD1 C 13 133.253 0.300 . 1 . . . . 79 TYR CD1 . 11144 1 878 . 1 1 79 79 TYR CD2 C 13 133.253 0.300 . 1 . . . . 79 TYR CD2 . 11144 1 879 . 1 1 79 79 TYR CE1 C 13 118.436 0.300 . 1 . . . . 79 TYR CE1 . 11144 1 880 . 1 1 79 79 TYR CE2 C 13 118.436 0.300 . 1 . . . . 79 TYR CE2 . 11144 1 881 . 1 1 79 79 TYR N N 15 120.812 0.300 . 1 . . . . 79 TYR N . 11144 1 882 . 1 1 80 80 ASP H H 1 9.153 0.030 . 1 . . . . 80 ASP H . 11144 1 883 . 1 1 80 80 ASP HA H 1 4.440 0.030 . 1 . . . . 80 ASP HA . 11144 1 884 . 1 1 80 80 ASP HB2 H 1 2.761 0.030 . 2 . . . . 80 ASP HB2 . 11144 1 885 . 1 1 80 80 ASP HB3 H 1 2.885 0.030 . 2 . . . . 80 ASP HB3 . 11144 1 886 . 1 1 80 80 ASP C C 13 178.251 0.300 . 1 . . . . 80 ASP C . 11144 1 887 . 1 1 80 80 ASP CA C 13 57.033 0.300 . 1 . . . . 80 ASP CA . 11144 1 888 . 1 1 80 80 ASP CB C 13 40.485 0.300 . 1 . . . . 80 ASP CB . 11144 1 889 . 1 1 80 80 ASP N N 15 121.199 0.300 . 1 . . . . 80 ASP N . 11144 1 890 . 1 1 81 81 ARG H H 1 7.772 0.030 . 1 . . . . 81 ARG H . 11144 1 891 . 1 1 81 81 ARG HA H 1 4.345 0.030 . 1 . . . . 81 ARG HA . 11144 1 892 . 1 1 81 81 ARG HB2 H 1 2.112 0.030 . 2 . . . . 81 ARG HB2 . 11144 1 893 . 1 1 81 81 ARG HB3 H 1 1.723 0.030 . 2 . . . . 81 ARG HB3 . 11144 1 894 . 1 1 81 81 ARG HD2 H 1 3.125 0.030 . 1 . . . . 81 ARG HD2 . 11144 1 895 . 1 1 81 81 ARG HD3 H 1 3.125 0.030 . 1 . . . . 81 ARG HD3 . 11144 1 896 . 1 1 81 81 ARG HG2 H 1 1.932 0.030 . 2 . . . . 81 ARG HG2 . 11144 1 897 . 1 1 81 81 ARG HG3 H 1 1.710 0.030 . 2 . . . . 81 ARG HG3 . 11144 1 898 . 1 1 81 81 ARG C C 13 176.368 0.300 . 1 . . . . 81 ARG C . 11144 1 899 . 1 1 81 81 ARG CA C 13 56.200 0.300 . 1 . . . . 81 ARG CA . 11144 1 900 . 1 1 81 81 ARG CB C 13 31.223 0.300 . 1 . . . . 81 ARG CB . 11144 1 901 . 1 1 81 81 ARG CD C 13 43.434 0.300 . 1 . . . . 81 ARG CD . 11144 1 902 . 1 1 81 81 ARG CG C 13 27.690 0.300 . 1 . . . . 81 ARG CG . 11144 1 903 . 1 1 81 81 ARG N N 15 116.066 0.300 . 1 . . . . 81 ARG N . 11144 1 904 . 1 1 82 82 GLY H H 1 7.829 0.030 . 1 . . . . 82 GLY H . 11144 1 905 . 1 1 82 82 GLY HA2 H 1 3.883 0.030 . 2 . . . . 82 GLY HA2 . 11144 1 906 . 1 1 82 82 GLY HA3 H 1 4.055 0.030 . 2 . . . . 82 GLY HA3 . 11144 1 907 . 1 1 82 82 GLY C C 13 175.275 0.300 . 1 . . . . 82 GLY C . 11144 1 908 . 1 1 82 82 GLY CA C 13 46.576 0.300 . 1 . . . . 82 GLY CA . 11144 1 909 . 1 1 82 82 GLY N N 15 107.984 0.300 . 1 . . . . 82 GLY N . 11144 1 910 . 1 1 83 83 LEU H H 1 8.171 0.030 . 1 . . . . 83 LEU H . 11144 1 911 . 1 1 83 83 LEU HA H 1 4.506 0.030 . 1 . . . . 83 LEU HA . 11144 1 912 . 1 1 83 83 LEU HB2 H 1 1.754 0.030 . 2 . . . . 83 LEU HB2 . 11144 1 913 . 1 1 83 83 LEU HB3 H 1 1.460 0.030 . 2 . . . . 83 LEU HB3 . 11144 1 914 . 1 1 83 83 LEU HD11 H 1 0.889 0.030 . 1 . . . . 83 LEU HD1 . 11144 1 915 . 1 1 83 83 LEU HD12 H 1 0.889 0.030 . 1 . . . . 83 LEU HD1 . 11144 1 916 . 1 1 83 83 LEU HD13 H 1 0.889 0.030 . 1 . . . . 83 LEU HD1 . 11144 1 917 . 1 1 83 83 LEU HD21 H 1 0.822 0.030 . 1 . . . . 83 LEU HD2 . 11144 1 918 . 1 1 83 83 LEU HD22 H 1 0.822 0.030 . 1 . . . . 83 LEU HD2 . 11144 1 919 . 1 1 83 83 LEU HD23 H 1 0.822 0.030 . 1 . . . . 83 LEU HD2 . 11144 1 920 . 1 1 83 83 LEU HG H 1 1.438 0.030 . 1 . . . . 83 LEU HG . 11144 1 921 . 1 1 83 83 LEU C C 13 176.832 0.300 . 1 . . . . 83 LEU C . 11144 1 922 . 1 1 83 83 LEU CA C 13 54.094 0.300 . 1 . . . . 83 LEU CA . 11144 1 923 . 1 1 83 83 LEU CB C 13 43.857 0.300 . 1 . . . . 83 LEU CB . 11144 1 924 . 1 1 83 83 LEU CD1 C 13 25.465 0.300 . 2 . . . . 83 LEU CD1 . 11144 1 925 . 1 1 83 83 LEU CD2 C 13 22.143 0.300 . 2 . . . . 83 LEU CD2 . 11144 1 926 . 1 1 83 83 LEU CG C 13 26.437 0.300 . 1 . . . . 83 LEU CG . 11144 1 927 . 1 1 83 83 LEU N N 15 117.648 0.300 . 1 . . . . 83 LEU N . 11144 1 928 . 1 1 84 84 LEU H H 1 7.692 0.030 . 1 . . . . 84 LEU H . 11144 1 929 . 1 1 84 84 LEU HA H 1 4.260 0.030 . 1 . . . . 84 LEU HA . 11144 1 930 . 1 1 84 84 LEU HB2 H 1 1.778 0.030 . 2 . . . . 84 LEU HB2 . 11144 1 931 . 1 1 84 84 LEU HB3 H 1 1.261 0.030 . 2 . . . . 84 LEU HB3 . 11144 1 932 . 1 1 84 84 LEU HD11 H 1 0.982 0.030 . 1 . . . . 84 LEU HD1 . 11144 1 933 . 1 1 84 84 LEU HD12 H 1 0.982 0.030 . 1 . . . . 84 LEU HD1 . 11144 1 934 . 1 1 84 84 LEU HD13 H 1 0.982 0.030 . 1 . . . . 84 LEU HD1 . 11144 1 935 . 1 1 84 84 LEU HD21 H 1 0.805 0.030 . 1 . . . . 84 LEU HD2 . 11144 1 936 . 1 1 84 84 LEU HD22 H 1 0.805 0.030 . 1 . . . . 84 LEU HD2 . 11144 1 937 . 1 1 84 84 LEU HD23 H 1 0.805 0.030 . 1 . . . . 84 LEU HD2 . 11144 1 938 . 1 1 84 84 LEU HG H 1 1.706 0.030 . 1 . . . . 84 LEU HG . 11144 1 939 . 1 1 84 84 LEU C C 13 175.774 0.300 . 1 . . . . 84 LEU C . 11144 1 940 . 1 1 84 84 LEU CA C 13 55.628 0.300 . 1 . . . . 84 LEU CA . 11144 1 941 . 1 1 84 84 LEU CB C 13 43.149 0.300 . 1 . . . . 84 LEU CB . 11144 1 942 . 1 1 84 84 LEU CD1 C 13 25.917 0.300 . 2 . . . . 84 LEU CD1 . 11144 1 943 . 1 1 84 84 LEU CD2 C 13 26.656 0.300 . 2 . . . . 84 LEU CD2 . 11144 1 944 . 1 1 84 84 LEU CG C 13 26.643 0.300 . 1 . . . . 84 LEU CG . 11144 1 945 . 1 1 84 84 LEU N N 15 122.633 0.300 . 1 . . . . 84 LEU N . 11144 1 946 . 1 1 85 85 SER H H 1 9.291 0.030 . 1 . . . . 85 SER H . 11144 1 947 . 1 1 85 85 SER HA H 1 4.735 0.030 . 1 . . . . 85 SER HA . 11144 1 948 . 1 1 85 85 SER HB2 H 1 3.872 0.030 . 2 . . . . 85 SER HB2 . 11144 1 949 . 1 1 85 85 SER HB3 H 1 4.152 0.030 . 2 . . . . 85 SER HB3 . 11144 1 950 . 1 1 85 85 SER C C 13 175.010 0.300 . 1 . . . . 85 SER C . 11144 1 951 . 1 1 85 85 SER CA C 13 56.837 0.300 . 1 . . . . 85 SER CA . 11144 1 952 . 1 1 85 85 SER CB C 13 66.132 0.300 . 1 . . . . 85 SER CB . 11144 1 953 . 1 1 85 85 SER N N 15 122.996 0.300 . 1 . . . . 85 SER N . 11144 1 954 . 1 1 86 86 ASP H H 1 8.802 0.030 . 1 . . . . 86 ASP H . 11144 1 955 . 1 1 86 86 ASP HA H 1 4.303 0.030 . 1 . . . . 86 ASP HA . 11144 1 956 . 1 1 86 86 ASP HB2 H 1 2.600 0.030 . 1 . . . . 86 ASP HB2 . 11144 1 957 . 1 1 86 86 ASP HB3 H 1 2.600 0.030 . 1 . . . . 86 ASP HB3 . 11144 1 958 . 1 1 86 86 ASP C C 13 178.701 0.300 . 1 . . . . 86 ASP C . 11144 1 959 . 1 1 86 86 ASP CA C 13 57.512 0.300 . 1 . . . . 86 ASP CA . 11144 1 960 . 1 1 86 86 ASP CB C 13 40.491 0.300 . 1 . . . . 86 ASP CB . 11144 1 961 . 1 1 86 86 ASP N N 15 121.912 0.300 . 1 . . . . 86 ASP N . 11144 1 962 . 1 1 87 87 GLU H H 1 8.451 0.030 . 1 . . . . 87 GLU H . 11144 1 963 . 1 1 87 87 GLU HA H 1 3.924 0.030 . 1 . . . . 87 GLU HA . 11144 1 964 . 1 1 87 87 GLU HB2 H 1 1.917 0.030 . 1 . . . . 87 GLU HB2 . 11144 1 965 . 1 1 87 87 GLU HB3 H 1 1.917 0.030 . 1 . . . . 87 GLU HB3 . 11144 1 966 . 1 1 87 87 GLU HG2 H 1 2.245 0.030 . 1 . . . . 87 GLU HG2 . 11144 1 967 . 1 1 87 87 GLU HG3 H 1 2.245 0.030 . 1 . . . . 87 GLU HG3 . 11144 1 968 . 1 1 87 87 GLU C C 13 178.429 0.300 . 1 . . . . 87 GLU C . 11144 1 969 . 1 1 87 87 GLU CA C 13 59.066 0.300 . 1 . . . . 87 GLU CA . 11144 1 970 . 1 1 87 87 GLU CB C 13 29.167 0.300 . 1 . . . . 87 GLU CB . 11144 1 971 . 1 1 87 87 GLU CG C 13 36.445 0.300 . 1 . . . . 87 GLU CG . 11144 1 972 . 1 1 87 87 GLU N N 15 118.561 0.300 . 1 . . . . 87 GLU N . 11144 1 973 . 1 1 88 88 ASP H H 1 7.736 0.030 . 1 . . . . 88 ASP H . 11144 1 974 . 1 1 88 88 ASP HA H 1 4.348 0.030 . 1 . . . . 88 ASP HA . 11144 1 975 . 1 1 88 88 ASP HB2 H 1 2.525 0.030 . 2 . . . . 88 ASP HB2 . 11144 1 976 . 1 1 88 88 ASP HB3 H 1 2.846 0.030 . 2 . . . . 88 ASP HB3 . 11144 1 977 . 1 1 88 88 ASP C C 13 176.762 0.300 . 1 . . . . 88 ASP C . 11144 1 978 . 1 1 88 88 ASP CA C 13 56.519 0.300 . 1 . . . . 88 ASP CA . 11144 1 979 . 1 1 88 88 ASP CB C 13 41.656 0.300 . 1 . . . . 88 ASP CB . 11144 1 980 . 1 1 88 88 ASP N N 15 118.585 0.300 . 1 . . . . 88 ASP N . 11144 1 981 . 1 1 89 89 LEU H H 1 7.325 0.030 . 1 . . . . 89 LEU H . 11144 1 982 . 1 1 89 89 LEU HA H 1 4.067 0.030 . 1 . . . . 89 LEU HA . 11144 1 983 . 1 1 89 89 LEU HB2 H 1 1.599 0.030 . 1 . . . . 89 LEU HB2 . 11144 1 984 . 1 1 89 89 LEU HB3 H 1 1.599 0.030 . 1 . . . . 89 LEU HB3 . 11144 1 985 . 1 1 89 89 LEU HD11 H 1 0.742 0.030 . 1 . . . . 89 LEU HD1 . 11144 1 986 . 1 1 89 89 LEU HD12 H 1 0.742 0.030 . 1 . . . . 89 LEU HD1 . 11144 1 987 . 1 1 89 89 LEU HD13 H 1 0.742 0.030 . 1 . . . . 89 LEU HD1 . 11144 1 988 . 1 1 89 89 LEU HD21 H 1 0.677 0.030 . 1 . . . . 89 LEU HD2 . 11144 1 989 . 1 1 89 89 LEU HD22 H 1 0.677 0.030 . 1 . . . . 89 LEU HD2 . 11144 1 990 . 1 1 89 89 LEU HD23 H 1 0.677 0.030 . 1 . . . . 89 LEU HD2 . 11144 1 991 . 1 1 89 89 LEU HG H 1 1.512 0.030 . 1 . . . . 89 LEU HG . 11144 1 992 . 1 1 89 89 LEU C C 13 177.166 0.300 . 1 . . . . 89 LEU C . 11144 1 993 . 1 1 89 89 LEU CA C 13 55.615 0.300 . 1 . . . . 89 LEU CA . 11144 1 994 . 1 1 89 89 LEU CB C 13 42.130 0.300 . 1 . . . . 89 LEU CB . 11144 1 995 . 1 1 89 89 LEU CD1 C 13 25.052 0.300 . 2 . . . . 89 LEU CD1 . 11144 1 996 . 1 1 89 89 LEU CD2 C 13 23.841 0.300 . 2 . . . . 89 LEU CD2 . 11144 1 997 . 1 1 89 89 LEU CG C 13 27.084 0.300 . 1 . . . . 89 LEU CG . 11144 1 998 . 1 1 89 89 LEU N N 15 117.334 0.300 . 1 . . . . 89 LEU N . 11144 1 999 . 1 1 90 90 ARG H H 1 7.543 0.030 . 1 . . . . 90 ARG H . 11144 1 1000 . 1 1 90 90 ARG HA H 1 4.251 0.030 . 1 . . . . 90 ARG HA . 11144 1 1001 . 1 1 90 90 ARG HB2 H 1 1.840 0.030 . 2 . . . . 90 ARG HB2 . 11144 1 1002 . 1 1 90 90 ARG HB3 H 1 1.765 0.030 . 2 . . . . 90 ARG HB3 . 11144 1 1003 . 1 1 90 90 ARG HD2 H 1 3.143 0.030 . 2 . . . . 90 ARG HD2 . 11144 1 1004 . 1 1 90 90 ARG HG2 H 1 1.647 0.030 . 2 . . . . 90 ARG HG2 . 11144 1 1005 . 1 1 90 90 ARG HG3 H 1 1.569 0.030 . 2 . . . . 90 ARG HG3 . 11144 1 1006 . 1 1 90 90 ARG C C 13 176.794 0.300 . 1 . . . . 90 ARG C . 11144 1 1007 . 1 1 90 90 ARG CA C 13 56.576 0.300 . 1 . . . . 90 ARG CA . 11144 1 1008 . 1 1 90 90 ARG CB C 13 31.026 0.300 . 1 . . . . 90 ARG CB . 11144 1 1009 . 1 1 90 90 ARG CD C 13 43.516 0.300 . 1 . . . . 90 ARG CD . 11144 1 1010 . 1 1 90 90 ARG CG C 13 27.196 0.300 . 1 . . . . 90 ARG CG . 11144 1 1011 . 1 1 90 90 ARG N N 15 117.516 0.300 . 1 . . . . 90 ARG N . 11144 1 1012 . 1 1 91 91 GLY H H 1 7.904 0.030 . 1 . . . . 91 GLY H . 11144 1 1013 . 1 1 91 91 GLY HA2 H 1 4.061 0.030 . 1 . . . . 91 GLY HA2 . 11144 1 1014 . 1 1 91 91 GLY HA3 H 1 4.061 0.030 . 1 . . . . 91 GLY HA3 . 11144 1 1015 . 1 1 91 91 GLY C C 13 171.999 0.300 . 1 . . . . 91 GLY C . 11144 1 1016 . 1 1 91 91 GLY CA C 13 44.695 0.300 . 1 . . . . 91 GLY CA . 11144 1 1017 . 1 1 91 91 GLY N N 15 108.523 0.300 . 1 . . . . 91 GLY N . 11144 1 1018 . 1 1 92 92 PRO HA H 1 4.411 0.030 . 1 . . . . 92 PRO HA . 11144 1 1019 . 1 1 92 92 PRO HB2 H 1 1.951 0.030 . 2 . . . . 92 PRO HB2 . 11144 1 1020 . 1 1 92 92 PRO HB3 H 1 2.232 0.030 . 2 . . . . 92 PRO HB3 . 11144 1 1021 . 1 1 92 92 PRO HD2 H 1 3.602 0.030 . 1 . . . . 92 PRO HD2 . 11144 1 1022 . 1 1 92 92 PRO HD3 H 1 3.602 0.030 . 1 . . . . 92 PRO HD3 . 11144 1 1023 . 1 1 92 92 PRO HG2 H 1 1.987 0.030 . 1 . . . . 92 PRO HG2 . 11144 1 1024 . 1 1 92 92 PRO HG3 H 1 1.987 0.030 . 1 . . . . 92 PRO HG3 . 11144 1 1025 . 1 1 92 92 PRO C C 13 177.782 0.300 . 1 . . . . 92 PRO C . 11144 1 1026 . 1 1 92 92 PRO CA C 13 63.568 0.300 . 1 . . . . 92 PRO CA . 11144 1 1027 . 1 1 92 92 PRO CB C 13 32.077 0.300 . 1 . . . . 92 PRO CB . 11144 1 1028 . 1 1 92 92 PRO CD C 13 49.863 0.300 . 1 . . . . 92 PRO CD . 11144 1 1029 . 1 1 92 92 PRO CG C 13 27.130 0.300 . 1 . . . . 92 PRO CG . 11144 1 1030 . 1 1 93 93 GLY H H 1 8.548 0.030 . 1 . . . . 93 GLY H . 11144 1 1031 . 1 1 93 93 GLY HA2 H 1 3.953 0.030 . 1 . . . . 93 GLY HA2 . 11144 1 1032 . 1 1 93 93 GLY HA3 H 1 3.953 0.030 . 1 . . . . 93 GLY HA3 . 11144 1 1033 . 1 1 93 93 GLY C C 13 174.186 0.300 . 1 . . . . 93 GLY C . 11144 1 1034 . 1 1 93 93 GLY CA C 13 45.315 0.300 . 1 . . . . 93 GLY CA . 11144 1 1035 . 1 1 93 93 GLY N N 15 109.649 0.300 . 1 . . . . 93 GLY N . 11144 1 1036 . 1 1 94 94 SER H H 1 8.158 0.030 . 1 . . . . 94 SER H . 11144 1 1037 . 1 1 94 94 SER C C 13 174.538 0.300 . 1 . . . . 94 SER C . 11144 1 1038 . 1 1 94 94 SER CA C 13 58.436 0.300 . 1 . . . . 94 SER CA . 11144 1 1039 . 1 1 94 94 SER CB C 13 64.041 0.300 . 1 . . . . 94 SER CB . 11144 1 1040 . 1 1 94 94 SER N N 15 115.289 0.300 . 1 . . . . 94 SER N . 11144 1 1041 . 1 1 96 96 PRO HA H 1 4.452 0.030 . 1 . . . . 96 PRO HA . 11144 1 1042 . 1 1 96 96 PRO HB2 H 1 1.953 0.030 . 2 . . . . 96 PRO HB2 . 11144 1 1043 . 1 1 96 96 PRO HB3 H 1 2.273 0.030 . 2 . . . . 96 PRO HB3 . 11144 1 1044 . 1 1 96 96 PRO HD2 H 1 3.602 0.030 . 2 . . . . 96 PRO HD2 . 11144 1 1045 . 1 1 96 96 PRO HG2 H 1 1.976 0.030 . 2 . . . . 96 PRO HG2 . 11144 1 1046 . 1 1 96 96 PRO C C 13 177.355 0.300 . 1 . . . . 96 PRO C . 11144 1 1047 . 1 1 96 96 PRO CA C 13 63.240 0.300 . 1 . . . . 96 PRO CA . 11144 1 1048 . 1 1 96 96 PRO CB C 13 32.174 0.300 . 1 . . . . 96 PRO CB . 11144 1 1049 . 1 1 96 96 PRO CD C 13 49.863 0.300 . 1 . . . . 96 PRO CD . 11144 1 1050 . 1 1 96 96 PRO CG C 13 27.113 0.300 . 1 . . . . 96 PRO CG . 11144 1 1051 . 1 1 97 97 SER H H 1 8.530 0.030 . 1 . . . . 97 SER H . 11144 1 1052 . 1 1 97 97 SER C C 13 174.647 0.300 . 1 . . . . 97 SER C . 11144 1 1053 . 1 1 97 97 SER CA C 13 58.364 0.300 . 1 . . . . 97 SER CA . 11144 1 1054 . 1 1 97 97 SER CB C 13 63.976 0.300 . 1 . . . . 97 SER CB . 11144 1 1055 . 1 1 97 97 SER N N 15 116.458 0.300 . 1 . . . . 97 SER N . 11144 1 1056 . 1 1 98 98 SER HA H 1 4.471 0.030 . 1 . . . . 98 SER HA . 11144 1 1057 . 1 1 98 98 SER HB2 H 1 3.872 0.030 . 1 . . . . 98 SER HB2 . 11144 1 1058 . 1 1 98 98 SER HB3 H 1 3.872 0.030 . 1 . . . . 98 SER HB3 . 11144 1 1059 . 1 1 98 98 SER C C 13 173.906 0.300 . 1 . . . . 98 SER C . 11144 1 1060 . 1 1 98 98 SER CA C 13 58.375 0.300 . 1 . . . . 98 SER CA . 11144 1 1061 . 1 1 98 98 SER CB C 13 64.062 0.300 . 1 . . . . 98 SER CB . 11144 1 1062 . 1 1 99 99 GLY H H 1 8.047 0.030 . 1 . . . . 99 GLY H . 11144 1 1063 . 1 1 99 99 GLY HA2 H 1 3.788 0.030 . 2 . . . . 99 GLY HA2 . 11144 1 1064 . 1 1 99 99 GLY HA3 H 1 3.743 0.030 . 2 . . . . 99 GLY HA3 . 11144 1 1065 . 1 1 99 99 GLY C C 13 178.955 0.300 . 1 . . . . 99 GLY C . 11144 1 1066 . 1 1 99 99 GLY CA C 13 46.206 0.300 . 1 . . . . 99 GLY CA . 11144 1 1067 . 1 1 99 99 GLY N N 15 116.843 0.300 . 1 . . . . 99 GLY N . 11144 1 stop_ save_