data_11215 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11215 _Entry.Title ; Solution structure of the PDZ domain of T-cell lymphoma invasion and metastasis 1 varian ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-22 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-21 _Entry.Original_release_date 2011-07-21 _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 X. Qin . . . 11215 2 F. Hayashi . . . 11215 3 S. Yokoyama . . . 11215 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)' . 11215 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11215 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 469 11215 '15N chemical shifts' 105 11215 '1H chemical shifts' 747 11215 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 . . 2011-07-21 2010-07-22 original author . 11215 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D8I 'BMRB Entry Tracking System' 11215 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11215 _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 PDZ domain of T-cell lymphoma invasion and metastasis 1 varian ; _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 X. Qin . . . 11215 1 2 F. Hayashi . . . 11215 1 3 S. Yokoyama . . . 11215 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11215 _Assembly.ID 1 _Assembly.Name 'T-cell lymphoma invasion and metastasis 1 variant' _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 'PDZ domain of T-cell lymphoma invasion and metastasis 1 variant' 1 $entity_1 A . yes native no no . . . 11215 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 2d8i . . . . . . 11215 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11215 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ 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 ; GSSGSSGEIEICPKVTQSIH IEKSDTAADTYGFSLSSVEE DGIRRLYVNSVKETGLASKK GLKAGDEILEINNRAADALN SSMLKDFLSQPSLGLLVRTY PELEEGVESGPSSG ; _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 114 _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 2D8I . "Solution Structure Of The Pdz Domain Of T-Cell Lymphoma Invasion And Metastasis 1 Varian" . . . . . 100.00 114 100.00 100.00 1.76e-73 . . . . 11215 1 2 no PDB 3KZD . "Crystal Structure Of Free T-Cell Lymphoma Invasion And Metas Pdz Domain" . . . . . 78.95 94 98.89 98.89 2.56e-55 . . . . 11215 1 3 no PDB 3KZE . "Crystal Structure Of T-Cell Lymphoma Invasion And Metastasis Complex With Ssrkeyya Peptide" . . . . . 78.95 94 98.89 98.89 2.56e-55 . . . . 11215 1 4 no PDB 4GVC . "Crystal Structure Of T-cell Lymphoma Invasion And Metastasis-1 Pdz In Complex With Phosphorylated Syndecan1 Peptide" . . . . . 78.95 94 98.89 98.89 2.56e-55 . . . . 11215 1 5 no PDB 4GVD . "Crystal Structure Of T-cell Lymphoma Invasion And Metastasis-1 Pdz In Complex With Syndecan1 Peptide" . . . . . 78.95 94 98.89 98.89 2.56e-55 . . . . 11215 1 6 no DBJ BAD92338 . "T-cell lymphoma invasion and metastasis 1 variant [Homo sapiens]" . . . . . 88.60 1060 100.00 100.00 2.14e-58 . . . . 11215 1 7 no DBJ BAJ17929 . "T-cell lymphoma invasion and metastasis 1 [synthetic construct]" . . . . . 88.60 1591 100.00 100.00 3.94e-58 . . . . 11215 1 8 no GB AAA98443 . "TIAM1 protein [Homo sapiens]" . . . . . 88.60 1591 99.01 99.01 1.94e-57 . . . . 11215 1 9 no GB AAI17193 . "T-cell lymphoma invasion and metastasis 1 [Homo sapiens]" . . . . . 88.60 1591 100.00 100.00 3.94e-58 . . . . 11215 1 10 no GB AAI17197 . "T-cell lymphoma invasion and metastasis 1 [Homo sapiens]" . . . . . 88.60 1591 100.00 100.00 3.94e-58 . . . . 11215 1 11 no GB AAI43981 . "TIAM1 protein [Homo sapiens]" . . . . . 88.60 1531 99.01 99.01 1.70e-57 . . . . 11215 1 12 no GB EAX09895 . "T-cell lymphoma invasion and metastasis 1 [Homo sapiens]" . . . . . 88.60 1591 100.00 100.00 3.94e-58 . . . . 11215 1 13 no REF NP_001247701 . "T-lymphoma invasion and metastasis-inducing protein 1 [Macaca mulatta]" . . . . . 88.60 1591 99.01 99.01 3.09e-57 . . . . 11215 1 14 no REF NP_003244 . "T-lymphoma invasion and metastasis-inducing protein 1 [Homo sapiens]" . . . . . 88.60 1591 100.00 100.00 3.94e-58 . . . . 11215 1 15 no REF XP_002830672 . "PREDICTED: T-lymphoma invasion and metastasis-inducing protein 1 isoform X1 [Pongo abelii]" . . . . . 88.60 1591 100.00 100.00 3.30e-58 . . . . 11215 1 16 no REF XP_003813268 . "PREDICTED: T-lymphoma invasion and metastasis-inducing protein 1 isoform X1 [Pan paniscus]" . . . . . 88.60 1591 100.00 100.00 3.97e-58 . . . . 11215 1 17 no REF XP_003813269 . "PREDICTED: T-lymphoma invasion and metastasis-inducing protein 1 isoform X1 [Pan paniscus]" . . . . . 88.60 1591 100.00 100.00 3.97e-58 . . . . 11215 1 18 no SP Q13009 . "RecName: Full=T-lymphoma invasion and metastasis-inducing protein 1; Short=TIAM-1" . . . . . 88.60 1591 100.00 100.00 3.94e-58 . . . . 11215 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 11215 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 . 11215 1 2 . SER . 11215 1 3 . SER . 11215 1 4 . GLY . 11215 1 5 . SER . 11215 1 6 . SER . 11215 1 7 . GLY . 11215 1 8 . GLU . 11215 1 9 . ILE . 11215 1 10 . GLU . 11215 1 11 . ILE . 11215 1 12 . CYS . 11215 1 13 . PRO . 11215 1 14 . LYS . 11215 1 15 . VAL . 11215 1 16 . THR . 11215 1 17 . GLN . 11215 1 18 . SER . 11215 1 19 . ILE . 11215 1 20 . HIS . 11215 1 21 . ILE . 11215 1 22 . GLU . 11215 1 23 . LYS . 11215 1 24 . SER . 11215 1 25 . ASP . 11215 1 26 . THR . 11215 1 27 . ALA . 11215 1 28 . ALA . 11215 1 29 . ASP . 11215 1 30 . THR . 11215 1 31 . TYR . 11215 1 32 . GLY . 11215 1 33 . PHE . 11215 1 34 . SER . 11215 1 35 . LEU . 11215 1 36 . SER . 11215 1 37 . SER . 11215 1 38 . VAL . 11215 1 39 . GLU . 11215 1 40 . GLU . 11215 1 41 . ASP . 11215 1 42 . GLY . 11215 1 43 . ILE . 11215 1 44 . ARG . 11215 1 45 . ARG . 11215 1 46 . LEU . 11215 1 47 . TYR . 11215 1 48 . VAL . 11215 1 49 . ASN . 11215 1 50 . SER . 11215 1 51 . VAL . 11215 1 52 . LYS . 11215 1 53 . GLU . 11215 1 54 . THR . 11215 1 55 . GLY . 11215 1 56 . LEU . 11215 1 57 . ALA . 11215 1 58 . SER . 11215 1 59 . LYS . 11215 1 60 . LYS . 11215 1 61 . GLY . 11215 1 62 . LEU . 11215 1 63 . LYS . 11215 1 64 . ALA . 11215 1 65 . GLY . 11215 1 66 . ASP . 11215 1 67 . GLU . 11215 1 68 . ILE . 11215 1 69 . LEU . 11215 1 70 . GLU . 11215 1 71 . ILE . 11215 1 72 . ASN . 11215 1 73 . ASN . 11215 1 74 . ARG . 11215 1 75 . ALA . 11215 1 76 . ALA . 11215 1 77 . ASP . 11215 1 78 . ALA . 11215 1 79 . LEU . 11215 1 80 . ASN . 11215 1 81 . SER . 11215 1 82 . SER . 11215 1 83 . MET . 11215 1 84 . LEU . 11215 1 85 . LYS . 11215 1 86 . ASP . 11215 1 87 . PHE . 11215 1 88 . LEU . 11215 1 89 . SER . 11215 1 90 . GLN . 11215 1 91 . PRO . 11215 1 92 . SER . 11215 1 93 . LEU . 11215 1 94 . GLY . 11215 1 95 . LEU . 11215 1 96 . LEU . 11215 1 97 . VAL . 11215 1 98 . ARG . 11215 1 99 . THR . 11215 1 100 . TYR . 11215 1 101 . PRO . 11215 1 102 . GLU . 11215 1 103 . LEU . 11215 1 104 . GLU . 11215 1 105 . GLU . 11215 1 106 . GLY . 11215 1 107 . VAL . 11215 1 108 . GLU . 11215 1 109 . SER . 11215 1 110 . GLY . 11215 1 111 . PRO . 11215 1 112 . SER . 11215 1 113 . SER . 11215 1 114 . GLY . 11215 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 11215 1 . SER 2 2 11215 1 . SER 3 3 11215 1 . GLY 4 4 11215 1 . SER 5 5 11215 1 . SER 6 6 11215 1 . GLY 7 7 11215 1 . GLU 8 8 11215 1 . ILE 9 9 11215 1 . GLU 10 10 11215 1 . ILE 11 11 11215 1 . CYS 12 12 11215 1 . PRO 13 13 11215 1 . LYS 14 14 11215 1 . VAL 15 15 11215 1 . THR 16 16 11215 1 . GLN 17 17 11215 1 . SER 18 18 11215 1 . ILE 19 19 11215 1 . HIS 20 20 11215 1 . ILE 21 21 11215 1 . GLU 22 22 11215 1 . LYS 23 23 11215 1 . SER 24 24 11215 1 . ASP 25 25 11215 1 . THR 26 26 11215 1 . ALA 27 27 11215 1 . ALA 28 28 11215 1 . ASP 29 29 11215 1 . THR 30 30 11215 1 . TYR 31 31 11215 1 . GLY 32 32 11215 1 . PHE 33 33 11215 1 . SER 34 34 11215 1 . LEU 35 35 11215 1 . SER 36 36 11215 1 . SER 37 37 11215 1 . VAL 38 38 11215 1 . GLU 39 39 11215 1 . GLU 40 40 11215 1 . ASP 41 41 11215 1 . GLY 42 42 11215 1 . ILE 43 43 11215 1 . ARG 44 44 11215 1 . ARG 45 45 11215 1 . LEU 46 46 11215 1 . TYR 47 47 11215 1 . VAL 48 48 11215 1 . ASN 49 49 11215 1 . SER 50 50 11215 1 . VAL 51 51 11215 1 . LYS 52 52 11215 1 . GLU 53 53 11215 1 . THR 54 54 11215 1 . GLY 55 55 11215 1 . LEU 56 56 11215 1 . ALA 57 57 11215 1 . SER 58 58 11215 1 . LYS 59 59 11215 1 . LYS 60 60 11215 1 . GLY 61 61 11215 1 . LEU 62 62 11215 1 . LYS 63 63 11215 1 . ALA 64 64 11215 1 . GLY 65 65 11215 1 . ASP 66 66 11215 1 . GLU 67 67 11215 1 . ILE 68 68 11215 1 . LEU 69 69 11215 1 . GLU 70 70 11215 1 . ILE 71 71 11215 1 . ASN 72 72 11215 1 . ASN 73 73 11215 1 . ARG 74 74 11215 1 . ALA 75 75 11215 1 . ALA 76 76 11215 1 . ASP 77 77 11215 1 . ALA 78 78 11215 1 . LEU 79 79 11215 1 . ASN 80 80 11215 1 . SER 81 81 11215 1 . SER 82 82 11215 1 . MET 83 83 11215 1 . LEU 84 84 11215 1 . LYS 85 85 11215 1 . ASP 86 86 11215 1 . PHE 87 87 11215 1 . LEU 88 88 11215 1 . SER 89 89 11215 1 . GLN 90 90 11215 1 . PRO 91 91 11215 1 . SER 92 92 11215 1 . LEU 93 93 11215 1 . GLY 94 94 11215 1 . LEU 95 95 11215 1 . LEU 96 96 11215 1 . VAL 97 97 11215 1 . ARG 98 98 11215 1 . THR 99 99 11215 1 . TYR 100 100 11215 1 . PRO 101 101 11215 1 . GLU 102 102 11215 1 . LEU 103 103 11215 1 . GLU 104 104 11215 1 . GLU 105 105 11215 1 . GLY 106 106 11215 1 . VAL 107 107 11215 1 . GLU 108 108 11215 1 . SER 109 109 11215 1 . GLY 110 110 11215 1 . PRO 111 111 11215 1 . SER 112 112 11215 1 . SER 113 113 11215 1 . GLY 114 114 11215 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 11215 _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 . . . . . . . . . . . . . . . . . . . . . 11215 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 11215 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050425-07 . . . . . . 11215 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11215 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.29mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} ; _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 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.29 . . mM . . . . 11215 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11215 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11215 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11215 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11215 1 6 H2O . . . . . . solvent 90 . . % . . . . 11215 1 7 D2O . . . . . . solvent 10 . . % . . . . 11215 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 11215 _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 11215 1 pH 7.0 0.05 pH 11215 1 pressure 1 0.001 atm 11215 1 temperature 298 0.1 K 11215 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11215 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11215 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11215 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11215 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11215 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11215 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11215 _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.' . . 11215 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11215 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11215 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11215 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11215 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11215 _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.' . . 11215 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11215 5 'structure solution' 11215 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 11215 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11215 _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 Varian INOVA . 800 . . . 11215 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 11215 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11215 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11215 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 11215 _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 . . . . . . . . . 11215 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11215 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11215 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 11215 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11215 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11215 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 $VNMR . . 11215 1 2 $NMRPipe . . 11215 1 3 $NMRView . . 11215 1 4 $Kujira . . 11215 1 5 $CYANA . . 11215 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 5 5 SER HA H 1 4.516 0.030 . 1 . . . . 5 SER HA . 11215 1 2 . 1 1 5 5 SER HB2 H 1 3.926 0.030 . 1 . . . . 5 SER HB2 . 11215 1 3 . 1 1 5 5 SER HB3 H 1 3.926 0.030 . 1 . . . . 5 SER HB3 . 11215 1 4 . 1 1 5 5 SER C C 13 174.736 0.300 . 1 . . . . 5 SER C . 11215 1 5 . 1 1 5 5 SER CA C 13 58.377 0.300 . 1 . . . . 5 SER CA . 11215 1 6 . 1 1 5 5 SER CB C 13 63.792 0.300 . 1 . . . . 5 SER CB . 11215 1 7 . 1 1 6 6 SER H H 1 8.358 0.030 . 1 . . . . 6 SER H . 11215 1 8 . 1 1 6 6 SER HA H 1 4.504 0.030 . 1 . . . . 6 SER HA . 11215 1 9 . 1 1 6 6 SER HB2 H 1 3.907 0.030 . 1 . . . . 6 SER HB2 . 11215 1 10 . 1 1 6 6 SER HB3 H 1 3.907 0.030 . 1 . . . . 6 SER HB3 . 11215 1 11 . 1 1 6 6 SER C C 13 173.959 0.300 . 1 . . . . 6 SER C . 11215 1 12 . 1 1 6 6 SER CA C 13 58.460 0.300 . 1 . . . . 6 SER CA . 11215 1 13 . 1 1 6 6 SER CB C 13 64.121 0.300 . 1 . . . . 6 SER CB . 11215 1 14 . 1 1 6 6 SER N N 15 117.965 0.300 . 1 . . . . 6 SER N . 11215 1 15 . 1 1 7 7 GLY H H 1 8.390 0.030 . 1 . . . . 7 GLY H . 11215 1 16 . 1 1 7 7 GLY HA2 H 1 3.973 0.030 . 1 . . . . 7 GLY HA2 . 11215 1 17 . 1 1 7 7 GLY HA3 H 1 3.973 0.030 . 1 . . . . 7 GLY HA3 . 11215 1 18 . 1 1 7 7 GLY C C 13 174.047 0.300 . 1 . . . . 7 GLY C . 11215 1 19 . 1 1 7 7 GLY CA C 13 45.314 0.300 . 1 . . . . 7 GLY CA . 11215 1 20 . 1 1 7 7 GLY N N 15 110.727 0.300 . 1 . . . . 7 GLY N . 11215 1 21 . 1 1 8 8 GLU H H 1 8.236 0.030 . 1 . . . . 8 GLU H . 11215 1 22 . 1 1 8 8 GLU HA H 1 4.324 0.030 . 1 . . . . 8 GLU HA . 11215 1 23 . 1 1 8 8 GLU HB2 H 1 2.030 0.030 . 2 . . . . 8 GLU HB2 . 11215 1 24 . 1 1 8 8 GLU HB3 H 1 1.909 0.030 . 2 . . . . 8 GLU HB3 . 11215 1 25 . 1 1 8 8 GLU HG2 H 1 2.246 0.030 . 1 . . . . 8 GLU HG2 . 11215 1 26 . 1 1 8 8 GLU HG3 H 1 2.246 0.030 . 1 . . . . 8 GLU HG3 . 11215 1 27 . 1 1 8 8 GLU C C 13 176.399 0.300 . 1 . . . . 8 GLU C . 11215 1 28 . 1 1 8 8 GLU CA C 13 56.240 0.300 . 1 . . . . 8 GLU CA . 11215 1 29 . 1 1 8 8 GLU CB C 13 30.287 0.300 . 1 . . . . 8 GLU CB . 11215 1 30 . 1 1 8 8 GLU CG C 13 36.281 0.300 . 1 . . . . 8 GLU CG . 11215 1 31 . 1 1 8 8 GLU N N 15 120.676 0.300 . 1 . . . . 8 GLU N . 11215 1 32 . 1 1 9 9 ILE H H 1 8.268 0.030 . 1 . . . . 9 ILE H . 11215 1 33 . 1 1 9 9 ILE HA H 1 4.147 0.030 . 1 . . . . 9 ILE HA . 11215 1 34 . 1 1 9 9 ILE HB H 1 1.859 0.030 . 1 . . . . 9 ILE HB . 11215 1 35 . 1 1 9 9 ILE HD11 H 1 0.855 0.030 . 1 . . . . 9 ILE HD1 . 11215 1 36 . 1 1 9 9 ILE HD12 H 1 0.855 0.030 . 1 . . . . 9 ILE HD1 . 11215 1 37 . 1 1 9 9 ILE HD13 H 1 0.855 0.030 . 1 . . . . 9 ILE HD1 . 11215 1 38 . 1 1 9 9 ILE HG12 H 1 1.479 0.030 . 2 . . . . 9 ILE HG12 . 11215 1 39 . 1 1 9 9 ILE HG13 H 1 1.192 0.030 . 2 . . . . 9 ILE HG13 . 11215 1 40 . 1 1 9 9 ILE HG21 H 1 0.888 0.030 . 1 . . . . 9 ILE HG2 . 11215 1 41 . 1 1 9 9 ILE HG22 H 1 0.888 0.030 . 1 . . . . 9 ILE HG2 . 11215 1 42 . 1 1 9 9 ILE HG23 H 1 0.888 0.030 . 1 . . . . 9 ILE HG2 . 11215 1 43 . 1 1 9 9 ILE C C 13 175.754 0.300 . 1 . . . . 9 ILE C . 11215 1 44 . 1 1 9 9 ILE CA C 13 61.110 0.300 . 1 . . . . 9 ILE CA . 11215 1 45 . 1 1 9 9 ILE CB C 13 38.528 0.300 . 1 . . . . 9 ILE CB . 11215 1 46 . 1 1 9 9 ILE CD1 C 13 12.778 0.300 . 1 . . . . 9 ILE CD1 . 11215 1 47 . 1 1 9 9 ILE CG1 C 13 27.230 0.300 . 1 . . . . 9 ILE CG1 . 11215 1 48 . 1 1 9 9 ILE CG2 C 13 17.491 0.300 . 1 . . . . 9 ILE CG2 . 11215 1 49 . 1 1 9 9 ILE N N 15 123.002 0.300 . 1 . . . . 9 ILE N . 11215 1 50 . 1 1 10 10 GLU H H 1 8.423 0.030 . 1 . . . . 10 GLU H . 11215 1 51 . 1 1 10 10 GLU HA H 1 4.312 0.030 . 1 . . . . 10 GLU HA . 11215 1 52 . 1 1 10 10 GLU HB2 H 1 2.050 0.030 . 2 . . . . 10 GLU HB2 . 11215 1 53 . 1 1 10 10 GLU HB3 H 1 1.917 0.030 . 2 . . . . 10 GLU HB3 . 11215 1 54 . 1 1 10 10 GLU HG2 H 1 2.255 0.030 . 1 . . . . 10 GLU HG2 . 11215 1 55 . 1 1 10 10 GLU HG3 H 1 2.255 0.030 . 1 . . . . 10 GLU HG3 . 11215 1 56 . 1 1 10 10 GLU C C 13 176.303 0.300 . 1 . . . . 10 GLU C . 11215 1 57 . 1 1 10 10 GLU CA C 13 56.394 0.300 . 1 . . . . 10 GLU CA . 11215 1 58 . 1 1 10 10 GLU CB C 13 30.278 0.300 . 1 . . . . 10 GLU CB . 11215 1 59 . 1 1 10 10 GLU CG C 13 36.331 0.300 . 1 . . . . 10 GLU CG . 11215 1 60 . 1 1 11 11 ILE H H 1 8.155 0.030 . 1 . . . . 11 ILE H . 11215 1 61 . 1 1 11 11 ILE HA H 1 4.157 0.030 . 1 . . . . 11 ILE HA . 11215 1 62 . 1 1 11 11 ILE HB H 1 1.842 0.030 . 1 . . . . 11 ILE HB . 11215 1 63 . 1 1 11 11 ILE HD11 H 1 0.850 0.030 . 1 . . . . 11 ILE HD1 . 11215 1 64 . 1 1 11 11 ILE HD12 H 1 0.850 0.030 . 1 . . . . 11 ILE HD1 . 11215 1 65 . 1 1 11 11 ILE HD13 H 1 0.850 0.030 . 1 . . . . 11 ILE HD1 . 11215 1 66 . 1 1 11 11 ILE HG12 H 1 1.475 0.030 . 2 . . . . 11 ILE HG12 . 11215 1 67 . 1 1 11 11 ILE HG13 H 1 1.168 0.030 . 2 . . . . 11 ILE HG13 . 11215 1 68 . 1 1 11 11 ILE HG21 H 1 0.883 0.030 . 1 . . . . 11 ILE HG2 . 11215 1 69 . 1 1 11 11 ILE HG22 H 1 0.883 0.030 . 1 . . . . 11 ILE HG2 . 11215 1 70 . 1 1 11 11 ILE HG23 H 1 0.883 0.030 . 1 . . . . 11 ILE HG2 . 11215 1 71 . 1 1 11 11 ILE C C 13 176.007 0.300 . 1 . . . . 11 ILE C . 11215 1 72 . 1 1 11 11 ILE CA C 13 61.014 0.300 . 1 . . . . 11 ILE CA . 11215 1 73 . 1 1 11 11 ILE CB C 13 38.815 0.300 . 1 . . . . 11 ILE CB . 11215 1 74 . 1 1 11 11 ILE CD1 C 13 12.908 0.300 . 1 . . . . 11 ILE CD1 . 11215 1 75 . 1 1 11 11 ILE CG1 C 13 27.230 0.300 . 1 . . . . 11 ILE CG1 . 11215 1 76 . 1 1 11 11 ILE CG2 C 13 17.508 0.300 . 1 . . . . 11 ILE CG2 . 11215 1 77 . 1 1 11 11 ILE N N 15 121.658 0.300 . 1 . . . . 11 ILE N . 11215 1 78 . 1 1 12 12 CYS H H 1 8.446 0.030 . 1 . . . . 12 CYS H . 11215 1 79 . 1 1 12 12 CYS HA H 1 4.321 0.030 . 1 . . . . 12 CYS HA . 11215 1 80 . 1 1 12 12 CYS HB2 H 1 1.993 0.030 . 1 . . . . 12 CYS HB2 . 11215 1 81 . 1 1 12 12 CYS HB3 H 1 1.993 0.030 . 1 . . . . 12 CYS HB3 . 11215 1 82 . 1 1 12 12 CYS C C 13 176.048 0.300 . 1 . . . . 12 CYS C . 11215 1 83 . 1 1 12 12 CYS CA C 13 56.354 0.300 . 1 . . . . 12 CYS CA . 11215 1 84 . 1 1 12 12 CYS CB C 13 30.403 0.300 . 1 . . . . 12 CYS CB . 11215 1 85 . 1 1 12 12 CYS N N 15 125.628 0.300 . 1 . . . . 12 CYS N . 11215 1 86 . 1 1 13 13 PRO HA H 1 4.473 0.030 . 1 . . . . 13 PRO HA . 11215 1 87 . 1 1 13 13 PRO HB2 H 1 2.273 0.030 . 2 . . . . 13 PRO HB2 . 11215 1 88 . 1 1 13 13 PRO HB3 H 1 1.937 0.030 . 2 . . . . 13 PRO HB3 . 11215 1 89 . 1 1 13 13 PRO HD2 H 1 3.807 0.030 . 1 . . . . 13 PRO HD2 . 11215 1 90 . 1 1 13 13 PRO HD3 H 1 3.807 0.030 . 1 . . . . 13 PRO HD3 . 11215 1 91 . 1 1 13 13 PRO HG2 H 1 2.022 0.030 . 1 . . . . 13 PRO HG2 . 11215 1 92 . 1 1 13 13 PRO HG3 H 1 2.022 0.030 . 1 . . . . 13 PRO HG3 . 11215 1 93 . 1 1 13 13 PRO C C 13 176.294 0.300 . 1 . . . . 13 PRO C . 11215 1 94 . 1 1 13 13 PRO CA C 13 63.155 0.300 . 1 . . . . 13 PRO CA . 11215 1 95 . 1 1 13 13 PRO CB C 13 32.225 0.300 . 1 . . . . 13 PRO CB . 11215 1 96 . 1 1 13 13 PRO CD C 13 50.867 0.300 . 1 . . . . 13 PRO CD . 11215 1 97 . 1 1 13 13 PRO CG C 13 27.230 0.300 . 1 . . . . 13 PRO CG . 11215 1 98 . 1 1 14 14 LYS H H 1 8.142 0.030 . 1 . . . . 14 LYS H . 11215 1 99 . 1 1 14 14 LYS HA H 1 4.428 0.030 . 1 . . . . 14 LYS HA . 11215 1 100 . 1 1 14 14 LYS HB2 H 1 1.673 0.030 . 2 . . . . 14 LYS HB2 . 11215 1 101 . 1 1 14 14 LYS HB3 H 1 1.578 0.030 . 2 . . . . 14 LYS HB3 . 11215 1 102 . 1 1 14 14 LYS HD2 H 1 1.475 0.030 . 2 . . . . 14 LYS HD2 . 11215 1 103 . 1 1 14 14 LYS HD3 H 1 1.416 0.030 . 2 . . . . 14 LYS HD3 . 11215 1 104 . 1 1 14 14 LYS HE2 H 1 2.786 0.030 . 2 . . . . 14 LYS HE2 . 11215 1 105 . 1 1 14 14 LYS HE3 H 1 2.721 0.030 . 2 . . . . 14 LYS HE3 . 11215 1 106 . 1 1 14 14 LYS HG2 H 1 1.391 0.030 . 2 . . . . 14 LYS HG2 . 11215 1 107 . 1 1 14 14 LYS HG3 H 1 0.943 0.030 . 2 . . . . 14 LYS HG3 . 11215 1 108 . 1 1 14 14 LYS C C 13 176.420 0.300 . 1 . . . . 14 LYS C . 11215 1 109 . 1 1 14 14 LYS CA C 13 56.278 0.300 . 1 . . . . 14 LYS CA . 11215 1 110 . 1 1 14 14 LYS CB C 13 34.238 0.300 . 1 . . . . 14 LYS CB . 11215 1 111 . 1 1 14 14 LYS CD C 13 29.574 0.300 . 1 . . . . 14 LYS CD . 11215 1 112 . 1 1 14 14 LYS CE C 13 42.108 0.300 . 1 . . . . 14 LYS CE . 11215 1 113 . 1 1 14 14 LYS CG C 13 25.813 0.300 . 1 . . . . 14 LYS CG . 11215 1 114 . 1 1 14 14 LYS N N 15 119.655 0.300 . 1 . . . . 14 LYS N . 11215 1 115 . 1 1 15 15 VAL H H 1 8.642 0.030 . 1 . . . . 15 VAL H . 11215 1 116 . 1 1 15 15 VAL HA H 1 4.477 0.030 . 1 . . . . 15 VAL HA . 11215 1 117 . 1 1 15 15 VAL HB H 1 2.143 0.030 . 1 . . . . 15 VAL HB . 11215 1 118 . 1 1 15 15 VAL HG11 H 1 0.795 0.030 . 1 . . . . 15 VAL HG1 . 11215 1 119 . 1 1 15 15 VAL HG12 H 1 0.795 0.030 . 1 . . . . 15 VAL HG1 . 11215 1 120 . 1 1 15 15 VAL HG13 H 1 0.795 0.030 . 1 . . . . 15 VAL HG1 . 11215 1 121 . 1 1 15 15 VAL HG21 H 1 0.891 0.030 . 1 . . . . 15 VAL HG2 . 11215 1 122 . 1 1 15 15 VAL HG22 H 1 0.891 0.030 . 1 . . . . 15 VAL HG2 . 11215 1 123 . 1 1 15 15 VAL HG23 H 1 0.891 0.030 . 1 . . . . 15 VAL HG2 . 11215 1 124 . 1 1 15 15 VAL C C 13 175.100 0.300 . 1 . . . . 15 VAL C . 11215 1 125 . 1 1 15 15 VAL CA C 13 60.650 0.300 . 1 . . . . 15 VAL CA . 11215 1 126 . 1 1 15 15 VAL CB C 13 33.985 0.300 . 1 . . . . 15 VAL CB . 11215 1 127 . 1 1 15 15 VAL CG1 C 13 19.553 0.300 . 2 . . . . 15 VAL CG1 . 11215 1 128 . 1 1 15 15 VAL CG2 C 13 21.372 0.300 . 2 . . . . 15 VAL CG2 . 11215 1 129 . 1 1 15 15 VAL N N 15 118.273 0.300 . 1 . . . . 15 VAL N . 11215 1 130 . 1 1 16 16 THR H H 1 8.163 0.030 . 1 . . . . 16 THR H . 11215 1 131 . 1 1 16 16 THR HA H 1 5.416 0.030 . 1 . . . . 16 THR HA . 11215 1 132 . 1 1 16 16 THR HB H 1 3.960 0.030 . 1 . . . . 16 THR HB . 11215 1 133 . 1 1 16 16 THR HG21 H 1 1.034 0.030 . 1 . . . . 16 THR HG2 . 11215 1 134 . 1 1 16 16 THR HG22 H 1 1.034 0.030 . 1 . . . . 16 THR HG2 . 11215 1 135 . 1 1 16 16 THR HG23 H 1 1.034 0.030 . 1 . . . . 16 THR HG2 . 11215 1 136 . 1 1 16 16 THR C C 13 174.512 0.300 . 1 . . . . 16 THR C . 11215 1 137 . 1 1 16 16 THR CA C 13 60.337 0.300 . 1 . . . . 16 THR CA . 11215 1 138 . 1 1 16 16 THR CB C 13 70.539 0.300 . 1 . . . . 16 THR CB . 11215 1 139 . 1 1 16 16 THR CG2 C 13 22.047 0.300 . 1 . . . . 16 THR CG2 . 11215 1 140 . 1 1 16 16 THR N N 15 116.354 0.300 . 1 . . . . 16 THR N . 11215 1 141 . 1 1 17 17 GLN H H 1 9.119 0.030 . 1 . . . . 17 GLN H . 11215 1 142 . 1 1 17 17 GLN HA H 1 4.720 0.030 . 1 . . . . 17 GLN HA . 11215 1 143 . 1 1 17 17 GLN HB2 H 1 1.904 0.030 . 2 . . . . 17 GLN HB2 . 11215 1 144 . 1 1 17 17 GLN HB3 H 1 1.791 0.030 . 2 . . . . 17 GLN HB3 . 11215 1 145 . 1 1 17 17 GLN HE21 H 1 7.140 0.030 . 2 . . . . 17 GLN HE21 . 11215 1 146 . 1 1 17 17 GLN HE22 H 1 6.853 0.030 . 2 . . . . 17 GLN HE22 . 11215 1 147 . 1 1 17 17 GLN HG2 H 1 2.141 0.030 . 1 . . . . 17 GLN HG2 . 11215 1 148 . 1 1 17 17 GLN HG3 H 1 2.141 0.030 . 1 . . . . 17 GLN HG3 . 11215 1 149 . 1 1 17 17 GLN C C 13 174.012 0.300 . 1 . . . . 17 GLN C . 11215 1 150 . 1 1 17 17 GLN CA C 13 54.434 0.300 . 1 . . . . 17 GLN CA . 11215 1 151 . 1 1 17 17 GLN CB C 13 32.533 0.300 . 1 . . . . 17 GLN CB . 11215 1 152 . 1 1 17 17 GLN CG C 13 32.974 0.300 . 1 . . . . 17 GLN CG . 11215 1 153 . 1 1 17 17 GLN N N 15 122.146 0.300 . 1 . . . . 17 GLN N . 11215 1 154 . 1 1 17 17 GLN NE2 N 15 111.173 0.300 . 1 . . . . 17 GLN NE2 . 11215 1 155 . 1 1 18 18 SER H H 1 8.699 0.030 . 1 . . . . 18 SER H . 11215 1 156 . 1 1 18 18 SER HA H 1 5.258 0.030 . 1 . . . . 18 SER HA . 11215 1 157 . 1 1 18 18 SER HB2 H 1 3.771 0.030 . 2 . . . . 18 SER HB2 . 11215 1 158 . 1 1 18 18 SER HB3 H 1 3.724 0.030 . 2 . . . . 18 SER HB3 . 11215 1 159 . 1 1 18 18 SER C C 13 174.201 0.300 . 1 . . . . 18 SER C . 11215 1 160 . 1 1 18 18 SER CA C 13 57.212 0.300 . 1 . . . . 18 SER CA . 11215 1 161 . 1 1 18 18 SER CB C 13 63.891 0.300 . 1 . . . . 18 SER CB . 11215 1 162 . 1 1 18 18 SER N N 15 119.494 0.300 . 1 . . . . 18 SER N . 11215 1 163 . 1 1 19 19 ILE H H 1 9.009 0.030 . 1 . . . . 19 ILE H . 11215 1 164 . 1 1 19 19 ILE HA H 1 4.408 0.030 . 1 . . . . 19 ILE HA . 11215 1 165 . 1 1 19 19 ILE HB H 1 1.502 0.030 . 1 . . . . 19 ILE HB . 11215 1 166 . 1 1 19 19 ILE HD11 H 1 0.644 0.030 . 1 . . . . 19 ILE HD1 . 11215 1 167 . 1 1 19 19 ILE HD12 H 1 0.644 0.030 . 1 . . . . 19 ILE HD1 . 11215 1 168 . 1 1 19 19 ILE HD13 H 1 0.644 0.030 . 1 . . . . 19 ILE HD1 . 11215 1 169 . 1 1 19 19 ILE HG12 H 1 1.321 0.030 . 2 . . . . 19 ILE HG12 . 11215 1 170 . 1 1 19 19 ILE HG13 H 1 1.043 0.030 . 2 . . . . 19 ILE HG13 . 11215 1 171 . 1 1 19 19 ILE HG21 H 1 0.741 0.030 . 1 . . . . 19 ILE HG2 . 11215 1 172 . 1 1 19 19 ILE HG22 H 1 0.741 0.030 . 1 . . . . 19 ILE HG2 . 11215 1 173 . 1 1 19 19 ILE HG23 H 1 0.741 0.030 . 1 . . . . 19 ILE HG2 . 11215 1 174 . 1 1 19 19 ILE C C 13 173.581 0.300 . 1 . . . . 19 ILE C . 11215 1 175 . 1 1 19 19 ILE CA C 13 60.403 0.300 . 1 . . . . 19 ILE CA . 11215 1 176 . 1 1 19 19 ILE CB C 13 42.039 0.300 . 1 . . . . 19 ILE CB . 11215 1 177 . 1 1 19 19 ILE CD1 C 13 13.310 0.300 . 1 . . . . 19 ILE CD1 . 11215 1 178 . 1 1 19 19 ILE CG1 C 13 27.222 0.300 . 1 . . . . 19 ILE CG1 . 11215 1 179 . 1 1 19 19 ILE CG2 C 13 17.309 0.300 . 1 . . . . 19 ILE CG2 . 11215 1 180 . 1 1 19 19 ILE N N 15 126.004 0.300 . 1 . . . . 19 ILE N . 11215 1 181 . 1 1 20 20 HIS H H 1 8.838 0.030 . 1 . . . . 20 HIS H . 11215 1 182 . 1 1 20 20 HIS HA H 1 5.388 0.030 . 1 . . . . 20 HIS HA . 11215 1 183 . 1 1 20 20 HIS HB2 H 1 3.098 0.030 . 2 . . . . 20 HIS HB2 . 11215 1 184 . 1 1 20 20 HIS HB3 H 1 2.978 0.030 . 2 . . . . 20 HIS HB3 . 11215 1 185 . 1 1 20 20 HIS HD2 H 1 6.949 0.030 . 1 . . . . 20 HIS HD2 . 11215 1 186 . 1 1 20 20 HIS HE1 H 1 7.913 0.030 . 1 . . . . 20 HIS HE1 . 11215 1 187 . 1 1 20 20 HIS C C 13 174.047 0.300 . 1 . . . . 20 HIS C . 11215 1 188 . 1 1 20 20 HIS CA C 13 55.144 0.300 . 1 . . . . 20 HIS CA . 11215 1 189 . 1 1 20 20 HIS CB C 13 31.956 0.300 . 1 . . . . 20 HIS CB . 11215 1 190 . 1 1 20 20 HIS CD2 C 13 119.471 0.300 . 1 . . . . 20 HIS CD2 . 11215 1 191 . 1 1 20 20 HIS CE1 C 13 137.230 0.300 . 1 . . . . 20 HIS CE1 . 11215 1 192 . 1 1 20 20 HIS N N 15 128.119 0.300 . 1 . . . . 20 HIS N . 11215 1 193 . 1 1 21 21 ILE H H 1 8.899 0.030 . 1 . . . . 21 ILE H . 11215 1 194 . 1 1 21 21 ILE HA H 1 4.399 0.030 . 1 . . . . 21 ILE HA . 11215 1 195 . 1 1 21 21 ILE HB H 1 1.610 0.030 . 1 . . . . 21 ILE HB . 11215 1 196 . 1 1 21 21 ILE HD11 H 1 0.557 0.030 . 1 . . . . 21 ILE HD1 . 11215 1 197 . 1 1 21 21 ILE HD12 H 1 0.557 0.030 . 1 . . . . 21 ILE HD1 . 11215 1 198 . 1 1 21 21 ILE HD13 H 1 0.557 0.030 . 1 . . . . 21 ILE HD1 . 11215 1 199 . 1 1 21 21 ILE HG12 H 1 1.456 0.030 . 2 . . . . 21 ILE HG12 . 11215 1 200 . 1 1 21 21 ILE HG13 H 1 0.724 0.030 . 2 . . . . 21 ILE HG13 . 11215 1 201 . 1 1 21 21 ILE HG21 H 1 1.057 0.030 . 1 . . . . 21 ILE HG2 . 11215 1 202 . 1 1 21 21 ILE HG22 H 1 1.057 0.030 . 1 . . . . 21 ILE HG2 . 11215 1 203 . 1 1 21 21 ILE HG23 H 1 1.057 0.030 . 1 . . . . 21 ILE HG2 . 11215 1 204 . 1 1 21 21 ILE C C 13 173.460 0.300 . 1 . . . . 21 ILE C . 11215 1 205 . 1 1 21 21 ILE CA C 13 60.446 0.300 . 1 . . . . 21 ILE CA . 11215 1 206 . 1 1 21 21 ILE CB C 13 40.653 0.300 . 1 . . . . 21 ILE CB . 11215 1 207 . 1 1 21 21 ILE CD1 C 13 13.519 0.300 . 1 . . . . 21 ILE CD1 . 11215 1 208 . 1 1 21 21 ILE CG1 C 13 27.036 0.300 . 1 . . . . 21 ILE CG1 . 11215 1 209 . 1 1 21 21 ILE CG2 C 13 20.367 0.300 . 1 . . . . 21 ILE CG2 . 11215 1 210 . 1 1 21 21 ILE N N 15 124.038 0.300 . 1 . . . . 21 ILE N . 11215 1 211 . 1 1 22 22 GLU H H 1 8.444 0.030 . 1 . . . . 22 GLU H . 11215 1 212 . 1 1 22 22 GLU HA H 1 5.157 0.030 . 1 . . . . 22 GLU HA . 11215 1 213 . 1 1 22 22 GLU HB2 H 1 2.122 0.030 . 2 . . . . 22 GLU HB2 . 11215 1 214 . 1 1 22 22 GLU HB3 H 1 1.984 0.030 . 2 . . . . 22 GLU HB3 . 11215 1 215 . 1 1 22 22 GLU HG2 H 1 2.216 0.030 . 2 . . . . 22 GLU HG2 . 11215 1 216 . 1 1 22 22 GLU HG3 H 1 2.271 0.030 . 2 . . . . 22 GLU HG3 . 11215 1 217 . 1 1 22 22 GLU C C 13 175.317 0.300 . 1 . . . . 22 GLU C . 11215 1 218 . 1 1 22 22 GLU CA C 13 54.919 0.300 . 1 . . . . 22 GLU CA . 11215 1 219 . 1 1 22 22 GLU CB C 13 32.789 0.300 . 1 . . . . 22 GLU CB . 11215 1 220 . 1 1 22 22 GLU CG C 13 36.157 0.300 . 1 . . . . 22 GLU CG . 11215 1 221 . 1 1 22 22 GLU N N 15 123.963 0.300 . 1 . . . . 22 GLU N . 11215 1 222 . 1 1 23 23 LYS H H 1 8.593 0.030 . 1 . . . . 23 LYS H . 11215 1 223 . 1 1 23 23 LYS HA H 1 4.307 0.030 . 1 . . . . 23 LYS HA . 11215 1 224 . 1 1 23 23 LYS HB2 H 1 1.495 0.030 . 1 . . . . 23 LYS HB2 . 11215 1 225 . 1 1 23 23 LYS HB3 H 1 1.495 0.030 . 1 . . . . 23 LYS HB3 . 11215 1 226 . 1 1 23 23 LYS HD2 H 1 0.787 0.030 . 2 . . . . 23 LYS HD2 . 11215 1 227 . 1 1 23 23 LYS HD3 H 1 1.058 0.030 . 2 . . . . 23 LYS HD3 . 11215 1 228 . 1 1 23 23 LYS HE2 H 1 2.384 0.030 . 2 . . . . 23 LYS HE2 . 11215 1 229 . 1 1 23 23 LYS HE3 H 1 2.430 0.030 . 2 . . . . 23 LYS HE3 . 11215 1 230 . 1 1 23 23 LYS HG2 H 1 0.877 0.030 . 2 . . . . 23 LYS HG2 . 11215 1 231 . 1 1 23 23 LYS HG3 H 1 1.165 0.030 . 2 . . . . 23 LYS HG3 . 11215 1 232 . 1 1 23 23 LYS C C 13 175.853 0.300 . 1 . . . . 23 LYS C . 11215 1 233 . 1 1 23 23 LYS CA C 13 56.044 0.300 . 1 . . . . 23 LYS CA . 11215 1 234 . 1 1 23 23 LYS CB C 13 34.190 0.300 . 1 . . . . 23 LYS CB . 11215 1 235 . 1 1 23 23 LYS CD C 13 29.430 0.300 . 1 . . . . 23 LYS CD . 11215 1 236 . 1 1 23 23 LYS CE C 13 41.769 0.300 . 1 . . . . 23 LYS CE . 11215 1 237 . 1 1 23 23 LYS CG C 13 23.948 0.300 . 1 . . . . 23 LYS CG . 11215 1 238 . 1 1 23 23 LYS N N 15 121.978 0.300 . 1 . . . . 23 LYS N . 11215 1 239 . 1 1 24 24 SER H H 1 8.528 0.030 . 1 . . . . 24 SER H . 11215 1 240 . 1 1 24 24 SER HA H 1 4.492 0.030 . 1 . . . . 24 SER HA . 11215 1 241 . 1 1 24 24 SER HB2 H 1 3.977 0.030 . 2 . . . . 24 SER HB2 . 11215 1 242 . 1 1 24 24 SER HB3 H 1 3.902 0.030 . 2 . . . . 24 SER HB3 . 11215 1 243 . 1 1 24 24 SER C C 13 174.739 0.300 . 1 . . . . 24 SER C . 11215 1 244 . 1 1 24 24 SER CA C 13 58.900 0.300 . 1 . . . . 24 SER CA . 11215 1 245 . 1 1 24 24 SER CB C 13 63.746 0.300 . 1 . . . . 24 SER CB . 11215 1 246 . 1 1 24 24 SER N N 15 116.513 0.300 . 1 . . . . 24 SER N . 11215 1 247 . 1 1 25 25 ASP H H 1 8.437 0.030 . 1 . . . . 25 ASP H . 11215 1 248 . 1 1 25 25 ASP HA H 1 4.723 0.030 . 1 . . . . 25 ASP HA . 11215 1 249 . 1 1 25 25 ASP HB2 H 1 2.804 0.030 . 2 . . . . 25 ASP HB2 . 11215 1 250 . 1 1 25 25 ASP HB3 H 1 2.673 0.030 . 2 . . . . 25 ASP HB3 . 11215 1 251 . 1 1 25 25 ASP C C 13 176.626 0.300 . 1 . . . . 25 ASP C . 11215 1 252 . 1 1 25 25 ASP CA C 13 54.035 0.300 . 1 . . . . 25 ASP CA . 11215 1 253 . 1 1 25 25 ASP CB C 13 41.028 0.300 . 1 . . . . 25 ASP CB . 11215 1 254 . 1 1 25 25 ASP N N 15 122.491 0.300 . 1 . . . . 25 ASP N . 11215 1 255 . 1 1 26 26 THR H H 1 8.176 0.030 . 1 . . . . 26 THR H . 11215 1 256 . 1 1 26 26 THR HA H 1 4.246 0.030 . 1 . . . . 26 THR HA . 11215 1 257 . 1 1 26 26 THR HB H 1 4.344 0.030 . 1 . . . . 26 THR HB . 11215 1 258 . 1 1 26 26 THR HG21 H 1 1.214 0.030 . 1 . . . . 26 THR HG2 . 11215 1 259 . 1 1 26 26 THR HG22 H 1 1.214 0.030 . 1 . . . . 26 THR HG2 . 11215 1 260 . 1 1 26 26 THR HG23 H 1 1.214 0.030 . 1 . . . . 26 THR HG2 . 11215 1 261 . 1 1 26 26 THR C C 13 174.572 0.300 . 1 . . . . 26 THR C . 11215 1 262 . 1 1 26 26 THR CA C 13 62.209 0.300 . 1 . . . . 26 THR CA . 11215 1 263 . 1 1 26 26 THR CB C 13 69.419 0.300 . 1 . . . . 26 THR CB . 11215 1 264 . 1 1 26 26 THR CG2 C 13 21.688 0.300 . 1 . . . . 26 THR CG2 . 11215 1 265 . 1 1 26 26 THR N N 15 112.716 0.300 . 1 . . . . 26 THR N . 11215 1 266 . 1 1 27 27 ALA H H 1 8.183 0.030 . 1 . . . . 27 ALA H . 11215 1 267 . 1 1 27 27 ALA HA H 1 4.330 0.030 . 1 . . . . 27 ALA HA . 11215 1 268 . 1 1 27 27 ALA HB1 H 1 1.430 0.030 . 1 . . . . 27 ALA HB . 11215 1 269 . 1 1 27 27 ALA HB2 H 1 1.430 0.030 . 1 . . . . 27 ALA HB . 11215 1 270 . 1 1 27 27 ALA HB3 H 1 1.430 0.030 . 1 . . . . 27 ALA HB . 11215 1 271 . 1 1 27 27 ALA C C 13 177.819 0.300 . 1 . . . . 27 ALA C . 11215 1 272 . 1 1 27 27 ALA CA C 13 52.894 0.300 . 1 . . . . 27 ALA CA . 11215 1 273 . 1 1 27 27 ALA CB C 13 19.066 0.300 . 1 . . . . 27 ALA CB . 11215 1 274 . 1 1 27 27 ALA N N 15 124.434 0.300 . 1 . . . . 27 ALA N . 11215 1 275 . 1 1 28 28 ALA H H 1 7.898 0.030 . 1 . . . . 28 ALA H . 11215 1 276 . 1 1 28 28 ALA HA H 1 4.295 0.030 . 1 . . . . 28 ALA HA . 11215 1 277 . 1 1 28 28 ALA HB1 H 1 1.358 0.030 . 1 . . . . 28 ALA HB . 11215 1 278 . 1 1 28 28 ALA HB2 H 1 1.358 0.030 . 1 . . . . 28 ALA HB . 11215 1 279 . 1 1 28 28 ALA HB3 H 1 1.358 0.030 . 1 . . . . 28 ALA HB . 11215 1 280 . 1 1 28 28 ALA C C 13 177.645 0.300 . 1 . . . . 28 ALA C . 11215 1 281 . 1 1 28 28 ALA CA C 13 52.626 0.300 . 1 . . . . 28 ALA CA . 11215 1 282 . 1 1 28 28 ALA CB C 13 19.790 0.300 . 1 . . . . 28 ALA CB . 11215 1 283 . 1 1 28 28 ALA N N 15 120.361 0.300 . 1 . . . . 28 ALA N . 11215 1 284 . 1 1 29 29 ASP H H 1 8.002 0.030 . 1 . . . . 29 ASP H . 11215 1 285 . 1 1 29 29 ASP HA H 1 4.678 0.030 . 1 . . . . 29 ASP HA . 11215 1 286 . 1 1 29 29 ASP HB2 H 1 2.580 0.030 . 1 . . . . 29 ASP HB2 . 11215 1 287 . 1 1 29 29 ASP HB3 H 1 2.580 0.030 . 1 . . . . 29 ASP HB3 . 11215 1 288 . 1 1 29 29 ASP C C 13 176.050 0.300 . 1 . . . . 29 ASP C . 11215 1 289 . 1 1 29 29 ASP CA C 13 54.406 0.300 . 1 . . . . 29 ASP CA . 11215 1 290 . 1 1 29 29 ASP CB C 13 41.528 0.300 . 1 . . . . 29 ASP CB . 11215 1 291 . 1 1 29 29 ASP N N 15 118.174 0.300 . 1 . . . . 29 ASP N . 11215 1 292 . 1 1 30 30 THR H H 1 7.996 0.030 . 1 . . . . 30 THR H . 11215 1 293 . 1 1 30 30 THR HA H 1 4.600 0.030 . 1 . . . . 30 THR HA . 11215 1 294 . 1 1 30 30 THR HB H 1 4.386 0.030 . 1 . . . . 30 THR HB . 11215 1 295 . 1 1 30 30 THR HG21 H 1 1.158 0.030 . 1 . . . . 30 THR HG2 . 11215 1 296 . 1 1 30 30 THR HG22 H 1 1.158 0.030 . 1 . . . . 30 THR HG2 . 11215 1 297 . 1 1 30 30 THR HG23 H 1 1.158 0.030 . 1 . . . . 30 THR HG2 . 11215 1 298 . 1 1 30 30 THR C C 13 174.626 0.300 . 1 . . . . 30 THR C . 11215 1 299 . 1 1 30 30 THR CA C 13 59.257 0.300 . 1 . . . . 30 THR CA . 11215 1 300 . 1 1 30 30 THR CB C 13 70.934 0.300 . 1 . . . . 30 THR CB . 11215 1 301 . 1 1 30 30 THR CG2 C 13 21.081 0.300 . 1 . . . . 30 THR CG2 . 11215 1 302 . 1 1 30 30 THR N N 15 111.057 0.300 . 1 . . . . 30 THR N . 11215 1 303 . 1 1 31 31 TYR H H 1 8.842 0.030 . 1 . . . . 31 TYR H . 11215 1 304 . 1 1 31 31 TYR HA H 1 4.408 0.030 . 1 . . . . 31 TYR HA . 11215 1 305 . 1 1 31 31 TYR HB2 H 1 3.214 0.030 . 2 . . . . 31 TYR HB2 . 11215 1 306 . 1 1 31 31 TYR HB3 H 1 2.900 0.030 . 2 . . . . 31 TYR HB3 . 11215 1 307 . 1 1 31 31 TYR HD1 H 1 7.155 0.030 . 1 . . . . 31 TYR HD1 . 11215 1 308 . 1 1 31 31 TYR HD2 H 1 7.155 0.030 . 1 . . . . 31 TYR HD2 . 11215 1 309 . 1 1 31 31 TYR HE1 H 1 6.626 0.030 . 1 . . . . 31 TYR HE1 . 11215 1 310 . 1 1 31 31 TYR HE2 H 1 6.626 0.030 . 1 . . . . 31 TYR HE2 . 11215 1 311 . 1 1 31 31 TYR C C 13 176.399 0.300 . 1 . . . . 31 TYR C . 11215 1 312 . 1 1 31 31 TYR CA C 13 61.914 0.300 . 1 . . . . 31 TYR CA . 11215 1 313 . 1 1 31 31 TYR CB C 13 39.335 0.300 . 1 . . . . 31 TYR CB . 11215 1 314 . 1 1 31 31 TYR CD1 C 13 131.943 0.300 . 1 . . . . 31 TYR CD1 . 11215 1 315 . 1 1 31 31 TYR CD2 C 13 131.943 0.300 . 1 . . . . 31 TYR CD2 . 11215 1 316 . 1 1 31 31 TYR CE1 C 13 118.931 0.300 . 1 . . . . 31 TYR CE1 . 11215 1 317 . 1 1 31 31 TYR CE2 C 13 118.931 0.300 . 1 . . . . 31 TYR CE2 . 11215 1 318 . 1 1 32 32 GLY H H 1 8.416 0.030 . 1 . . . . 32 GLY H . 11215 1 319 . 1 1 32 32 GLY HA2 H 1 4.029 0.030 . 1 . . . . 32 GLY HA2 . 11215 1 320 . 1 1 32 32 GLY HA3 H 1 4.029 0.030 . 1 . . . . 32 GLY HA3 . 11215 1 321 . 1 1 32 32 GLY C C 13 175.123 0.300 . 1 . . . . 32 GLY C . 11215 1 322 . 1 1 32 32 GLY CA C 13 47.852 0.300 . 1 . . . . 32 GLY CA . 11215 1 323 . 1 1 32 32 GLY N N 15 105.386 0.300 . 1 . . . . 32 GLY N . 11215 1 324 . 1 1 33 33 PHE H H 1 7.674 0.030 . 1 . . . . 33 PHE H . 11215 1 325 . 1 1 33 33 PHE HA H 1 5.432 0.030 . 1 . . . . 33 PHE HA . 11215 1 326 . 1 1 33 33 PHE HB2 H 1 3.295 0.030 . 2 . . . . 33 PHE HB2 . 11215 1 327 . 1 1 33 33 PHE HB3 H 1 3.041 0.030 . 2 . . . . 33 PHE HB3 . 11215 1 328 . 1 1 33 33 PHE HD1 H 1 6.915 0.030 . 1 . . . . 33 PHE HD1 . 11215 1 329 . 1 1 33 33 PHE HD2 H 1 6.915 0.030 . 1 . . . . 33 PHE HD2 . 11215 1 330 . 1 1 33 33 PHE HE1 H 1 6.811 0.030 . 1 . . . . 33 PHE HE1 . 11215 1 331 . 1 1 33 33 PHE HE2 H 1 6.811 0.030 . 1 . . . . 33 PHE HE2 . 11215 1 332 . 1 1 33 33 PHE HZ H 1 6.794 0.030 . 1 . . . . 33 PHE HZ . 11215 1 333 . 1 1 33 33 PHE C C 13 172.142 0.300 . 1 . . . . 33 PHE C . 11215 1 334 . 1 1 33 33 PHE CA C 13 56.235 0.300 . 1 . . . . 33 PHE CA . 11215 1 335 . 1 1 33 33 PHE CB C 13 41.132 0.300 . 1 . . . . 33 PHE CB . 11215 1 336 . 1 1 33 33 PHE CD1 C 13 131.901 0.300 . 1 . . . . 33 PHE CD1 . 11215 1 337 . 1 1 33 33 PHE CD2 C 13 131.901 0.300 . 1 . . . . 33 PHE CD2 . 11215 1 338 . 1 1 33 33 PHE CE1 C 13 129.397 0.300 . 1 . . . . 33 PHE CE1 . 11215 1 339 . 1 1 33 33 PHE CE2 C 13 129.397 0.300 . 1 . . . . 33 PHE CE2 . 11215 1 340 . 1 1 33 33 PHE CZ C 13 128.512 0.300 . 1 . . . . 33 PHE CZ . 11215 1 341 . 1 1 33 33 PHE N N 15 115.655 0.300 . 1 . . . . 33 PHE N . 11215 1 342 . 1 1 34 34 SER H H 1 8.543 0.030 . 1 . . . . 34 SER H . 11215 1 343 . 1 1 34 34 SER HA H 1 4.808 0.030 . 1 . . . . 34 SER HA . 11215 1 344 . 1 1 34 34 SER HB2 H 1 3.924 0.030 . 2 . . . . 34 SER HB2 . 11215 1 345 . 1 1 34 34 SER HB3 H 1 3.812 0.030 . 2 . . . . 34 SER HB3 . 11215 1 346 . 1 1 34 34 SER C C 13 173.445 0.300 . 1 . . . . 34 SER C . 11215 1 347 . 1 1 34 34 SER CA C 13 56.406 0.300 . 1 . . . . 34 SER CA . 11215 1 348 . 1 1 34 34 SER CB C 13 66.326 0.300 . 1 . . . . 34 SER CB . 11215 1 349 . 1 1 34 34 SER N N 15 113.981 0.300 . 1 . . . . 34 SER N . 11215 1 350 . 1 1 35 35 LEU H H 1 8.755 0.030 . 1 . . . . 35 LEU H . 11215 1 351 . 1 1 35 35 LEU HA H 1 5.470 0.030 . 1 . . . . 35 LEU HA . 11215 1 352 . 1 1 35 35 LEU HB2 H 1 1.751 0.030 . 2 . . . . 35 LEU HB2 . 11215 1 353 . 1 1 35 35 LEU HB3 H 1 1.425 0.030 . 2 . . . . 35 LEU HB3 . 11215 1 354 . 1 1 35 35 LEU HD11 H 1 0.896 0.030 . 1 . . . . 35 LEU HD1 . 11215 1 355 . 1 1 35 35 LEU HD12 H 1 0.896 0.030 . 1 . . . . 35 LEU HD1 . 11215 1 356 . 1 1 35 35 LEU HD13 H 1 0.896 0.030 . 1 . . . . 35 LEU HD1 . 11215 1 357 . 1 1 35 35 LEU HD21 H 1 0.889 0.030 . 1 . . . . 35 LEU HD2 . 11215 1 358 . 1 1 35 35 LEU HD22 H 1 0.889 0.030 . 1 . . . . 35 LEU HD2 . 11215 1 359 . 1 1 35 35 LEU HD23 H 1 0.889 0.030 . 1 . . . . 35 LEU HD2 . 11215 1 360 . 1 1 35 35 LEU HG H 1 1.628 0.030 . 1 . . . . 35 LEU HG . 11215 1 361 . 1 1 35 35 LEU C C 13 176.617 0.300 . 1 . . . . 35 LEU C . 11215 1 362 . 1 1 35 35 LEU CA C 13 53.749 0.300 . 1 . . . . 35 LEU CA . 11215 1 363 . 1 1 35 35 LEU CB C 13 45.752 0.300 . 1 . . . . 35 LEU CB . 11215 1 364 . 1 1 35 35 LEU CD1 C 13 26.462 0.300 . 2 . . . . 35 LEU CD1 . 11215 1 365 . 1 1 35 35 LEU CD2 C 13 25.629 0.300 . 2 . . . . 35 LEU CD2 . 11215 1 366 . 1 1 35 35 LEU CG C 13 26.972 0.300 . 1 . . . . 35 LEU CG . 11215 1 367 . 1 1 35 35 LEU N N 15 122.368 0.300 . 1 . . . . 35 LEU N . 11215 1 368 . 1 1 36 36 SER H H 1 9.388 0.030 . 1 . . . . 36 SER H . 11215 1 369 . 1 1 36 36 SER HA H 1 4.740 0.030 . 1 . . . . 36 SER HA . 11215 1 370 . 1 1 36 36 SER HB2 H 1 3.754 0.030 . 2 . . . . 36 SER HB2 . 11215 1 371 . 1 1 36 36 SER HB3 H 1 3.668 0.030 . 2 . . . . 36 SER HB3 . 11215 1 372 . 1 1 36 36 SER C C 13 172.495 0.300 . 1 . . . . 36 SER C . 11215 1 373 . 1 1 36 36 SER CA C 13 57.180 0.300 . 1 . . . . 36 SER CA . 11215 1 374 . 1 1 36 36 SER CB C 13 65.508 0.300 . 1 . . . . 36 SER CB . 11215 1 375 . 1 1 36 36 SER N N 15 116.866 0.300 . 1 . . . . 36 SER N . 11215 1 376 . 1 1 37 37 SER H H 1 8.558 0.030 . 1 . . . . 37 SER H . 11215 1 377 . 1 1 37 37 SER HA H 1 5.441 0.030 . 1 . . . . 37 SER HA . 11215 1 378 . 1 1 37 37 SER HB2 H 1 3.742 0.030 . 2 . . . . 37 SER HB2 . 11215 1 379 . 1 1 37 37 SER HB3 H 1 3.652 0.030 . 2 . . . . 37 SER HB3 . 11215 1 380 . 1 1 37 37 SER C C 13 174.435 0.300 . 1 . . . . 37 SER C . 11215 1 381 . 1 1 37 37 SER CA C 13 56.563 0.300 . 1 . . . . 37 SER CA . 11215 1 382 . 1 1 37 37 SER CB C 13 64.514 0.300 . 1 . . . . 37 SER CB . 11215 1 383 . 1 1 37 37 SER N N 15 118.662 0.300 . 1 . . . . 37 SER N . 11215 1 384 . 1 1 38 38 VAL H H 1 8.973 0.030 . 1 . . . . 38 VAL H . 11215 1 385 . 1 1 38 38 VAL HA H 1 4.497 0.030 . 1 . . . . 38 VAL HA . 11215 1 386 . 1 1 38 38 VAL HB H 1 2.099 0.030 . 1 . . . . 38 VAL HB . 11215 1 387 . 1 1 38 38 VAL HG11 H 1 0.964 0.030 . 1 . . . . 38 VAL HG1 . 11215 1 388 . 1 1 38 38 VAL HG12 H 1 0.964 0.030 . 1 . . . . 38 VAL HG1 . 11215 1 389 . 1 1 38 38 VAL HG13 H 1 0.964 0.030 . 1 . . . . 38 VAL HG1 . 11215 1 390 . 1 1 38 38 VAL HG21 H 1 0.959 0.030 . 1 . . . . 38 VAL HG2 . 11215 1 391 . 1 1 38 38 VAL HG22 H 1 0.959 0.030 . 1 . . . . 38 VAL HG2 . 11215 1 392 . 1 1 38 38 VAL HG23 H 1 0.959 0.030 . 1 . . . . 38 VAL HG2 . 11215 1 393 . 1 1 38 38 VAL C C 13 174.180 0.300 . 1 . . . . 38 VAL C . 11215 1 394 . 1 1 38 38 VAL CA C 13 60.752 0.300 . 1 . . . . 38 VAL CA . 11215 1 395 . 1 1 38 38 VAL CB C 13 35.685 0.300 . 1 . . . . 38 VAL CB . 11215 1 396 . 1 1 38 38 VAL CG1 C 13 21.063 0.300 . 2 . . . . 38 VAL CG1 . 11215 1 397 . 1 1 38 38 VAL CG2 C 13 20.583 0.300 . 2 . . . . 38 VAL CG2 . 11215 1 398 . 1 1 38 38 VAL N N 15 124.802 0.300 . 1 . . . . 38 VAL N . 11215 1 399 . 1 1 39 39 GLU H H 1 8.685 0.030 . 1 . . . . 39 GLU H . 11215 1 400 . 1 1 39 39 GLU HA H 1 5.010 0.030 . 1 . . . . 39 GLU HA . 11215 1 401 . 1 1 39 39 GLU HB2 H 1 1.931 0.030 . 2 . . . . 39 GLU HB2 . 11215 1 402 . 1 1 39 39 GLU HB3 H 1 1.829 0.030 . 2 . . . . 39 GLU HB3 . 11215 1 403 . 1 1 39 39 GLU HG2 H 1 2.023 0.030 . 2 . . . . 39 GLU HG2 . 11215 1 404 . 1 1 39 39 GLU HG3 H 1 1.935 0.030 . 2 . . . . 39 GLU HG3 . 11215 1 405 . 1 1 39 39 GLU C C 13 175.529 0.300 . 1 . . . . 39 GLU C . 11215 1 406 . 1 1 39 39 GLU CA C 13 55.195 0.300 . 1 . . . . 39 GLU CA . 11215 1 407 . 1 1 39 39 GLU CB C 13 31.180 0.300 . 1 . . . . 39 GLU CB . 11215 1 408 . 1 1 39 39 GLU CG C 13 36.592 0.300 . 1 . . . . 39 GLU CG . 11215 1 409 . 1 1 39 39 GLU N N 15 126.148 0.300 . 1 . . . . 39 GLU N . 11215 1 410 . 1 1 40 40 GLU H H 1 8.732 0.030 . 1 . . . . 40 GLU H . 11215 1 411 . 1 1 40 40 GLU HA H 1 4.560 0.030 . 1 . . . . 40 GLU HA . 11215 1 412 . 1 1 40 40 GLU HB2 H 1 1.896 0.030 . 2 . . . . 40 GLU HB2 . 11215 1 413 . 1 1 40 40 GLU HB3 H 1 1.966 0.030 . 2 . . . . 40 GLU HB3 . 11215 1 414 . 1 1 40 40 GLU HG2 H 1 2.169 0.030 . 1 . . . . 40 GLU HG2 . 11215 1 415 . 1 1 40 40 GLU HG3 H 1 2.169 0.030 . 1 . . . . 40 GLU HG3 . 11215 1 416 . 1 1 40 40 GLU C C 13 175.845 0.300 . 1 . . . . 40 GLU C . 11215 1 417 . 1 1 40 40 GLU CA C 13 55.389 0.300 . 1 . . . . 40 GLU CA . 11215 1 418 . 1 1 40 40 GLU CB C 13 32.283 0.300 . 1 . . . . 40 GLU CB . 11215 1 419 . 1 1 40 40 GLU CG C 13 36.133 0.300 . 1 . . . . 40 GLU CG . 11215 1 420 . 1 1 40 40 GLU N N 15 126.106 0.300 . 1 . . . . 40 GLU N . 11215 1 421 . 1 1 41 41 ASP H H 1 9.339 0.030 . 1 . . . . 41 ASP H . 11215 1 422 . 1 1 41 41 ASP HA H 1 4.316 0.030 . 1 . . . . 41 ASP HA . 11215 1 423 . 1 1 41 41 ASP HB2 H 1 2.963 0.030 . 2 . . . . 41 ASP HB2 . 11215 1 424 . 1 1 41 41 ASP HB3 H 1 2.631 0.030 . 2 . . . . 41 ASP HB3 . 11215 1 425 . 1 1 41 41 ASP C C 13 175.707 0.300 . 1 . . . . 41 ASP C . 11215 1 426 . 1 1 41 41 ASP CA C 13 55.395 0.300 . 1 . . . . 41 ASP CA . 11215 1 427 . 1 1 41 41 ASP CB C 13 39.946 0.300 . 1 . . . . 41 ASP CB . 11215 1 428 . 1 1 41 41 ASP N N 15 126.037 0.300 . 1 . . . . 41 ASP N . 11215 1 429 . 1 1 42 42 GLY H H 1 8.594 0.030 . 1 . . . . 42 GLY H . 11215 1 430 . 1 1 42 42 GLY HA2 H 1 4.148 0.030 . 2 . . . . 42 GLY HA2 . 11215 1 431 . 1 1 42 42 GLY HA3 H 1 3.646 0.030 . 2 . . . . 42 GLY HA3 . 11215 1 432 . 1 1 42 42 GLY C C 13 173.788 0.300 . 1 . . . . 42 GLY C . 11215 1 433 . 1 1 42 42 GLY CA C 13 45.305 0.300 . 1 . . . . 42 GLY CA . 11215 1 434 . 1 1 42 42 GLY N N 15 103.555 0.300 . 1 . . . . 42 GLY N . 11215 1 435 . 1 1 43 43 ILE H H 1 7.776 0.030 . 1 . . . . 43 ILE H . 11215 1 436 . 1 1 43 43 ILE HA H 1 4.387 0.030 . 1 . . . . 43 ILE HA . 11215 1 437 . 1 1 43 43 ILE HB H 1 1.950 0.030 . 1 . . . . 43 ILE HB . 11215 1 438 . 1 1 43 43 ILE HD11 H 1 0.855 0.030 . 1 . . . . 43 ILE HD1 . 11215 1 439 . 1 1 43 43 ILE HD12 H 1 0.855 0.030 . 1 . . . . 43 ILE HD1 . 11215 1 440 . 1 1 43 43 ILE HD13 H 1 0.855 0.030 . 1 . . . . 43 ILE HD1 . 11215 1 441 . 1 1 43 43 ILE HG12 H 1 1.464 0.030 . 2 . . . . 43 ILE HG12 . 11215 1 442 . 1 1 43 43 ILE HG13 H 1 1.182 0.030 . 2 . . . . 43 ILE HG13 . 11215 1 443 . 1 1 43 43 ILE HG21 H 1 0.877 0.030 . 1 . . . . 43 ILE HG2 . 11215 1 444 . 1 1 43 43 ILE HG22 H 1 0.877 0.030 . 1 . . . . 43 ILE HG2 . 11215 1 445 . 1 1 43 43 ILE HG23 H 1 0.877 0.030 . 1 . . . . 43 ILE HG2 . 11215 1 446 . 1 1 43 43 ILE C C 13 174.932 0.300 . 1 . . . . 43 ILE C . 11215 1 447 . 1 1 43 43 ILE CA C 13 59.536 0.300 . 1 . . . . 43 ILE CA . 11215 1 448 . 1 1 43 43 ILE CB C 13 39.833 0.300 . 1 . . . . 43 ILE CB . 11215 1 449 . 1 1 43 43 ILE CD1 C 13 12.354 0.300 . 1 . . . . 43 ILE CD1 . 11215 1 450 . 1 1 43 43 ILE CG1 C 13 27.014 0.300 . 1 . . . . 43 ILE CG1 . 11215 1 451 . 1 1 43 43 ILE CG2 C 13 17.347 0.300 . 1 . . . . 43 ILE CG2 . 11215 1 452 . 1 1 43 43 ILE N N 15 121.603 0.300 . 1 . . . . 43 ILE N . 11215 1 453 . 1 1 44 44 ARG H H 1 8.740 0.030 . 1 . . . . 44 ARG H . 11215 1 454 . 1 1 44 44 ARG HA H 1 4.768 0.030 . 1 . . . . 44 ARG HA . 11215 1 455 . 1 1 44 44 ARG HB2 H 1 1.785 0.030 . 1 . . . . 44 ARG HB2 . 11215 1 456 . 1 1 44 44 ARG HB3 H 1 1.785 0.030 . 1 . . . . 44 ARG HB3 . 11215 1 457 . 1 1 44 44 ARG HD2 H 1 3.199 0.030 . 2 . . . . 44 ARG HD2 . 11215 1 458 . 1 1 44 44 ARG HD3 H 1 3.166 0.030 . 2 . . . . 44 ARG HD3 . 11215 1 459 . 1 1 44 44 ARG HG2 H 1 1.611 0.030 . 2 . . . . 44 ARG HG2 . 11215 1 460 . 1 1 44 44 ARG HG3 H 1 1.432 0.030 . 2 . . . . 44 ARG HG3 . 11215 1 461 . 1 1 44 44 ARG C C 13 175.040 0.300 . 1 . . . . 44 ARG C . 11215 1 462 . 1 1 44 44 ARG CA C 13 56.204 0.300 . 1 . . . . 44 ARG CA . 11215 1 463 . 1 1 44 44 ARG CB C 13 30.826 0.300 . 1 . . . . 44 ARG CB . 11215 1 464 . 1 1 44 44 ARG CD C 13 43.278 0.300 . 1 . . . . 44 ARG CD . 11215 1 465 . 1 1 44 44 ARG CG C 13 27.883 0.300 . 1 . . . . 44 ARG CG . 11215 1 466 . 1 1 44 44 ARG N N 15 127.765 0.300 . 1 . . . . 44 ARG N . 11215 1 467 . 1 1 45 45 ARG H H 1 8.892 0.030 . 1 . . . . 45 ARG H . 11215 1 468 . 1 1 45 45 ARG HA H 1 4.574 0.030 . 1 . . . . 45 ARG HA . 11215 1 469 . 1 1 45 45 ARG HB2 H 1 1.520 0.030 . 2 . . . . 45 ARG HB2 . 11215 1 470 . 1 1 45 45 ARG HB3 H 1 1.466 0.030 . 2 . . . . 45 ARG HB3 . 11215 1 471 . 1 1 45 45 ARG HD2 H 1 3.173 0.030 . 2 . . . . 45 ARG HD2 . 11215 1 472 . 1 1 45 45 ARG HD3 H 1 3.093 0.030 . 2 . . . . 45 ARG HD3 . 11215 1 473 . 1 1 45 45 ARG HE H 1 7.327 0.030 . 1 . . . . 45 ARG HE . 11215 1 474 . 1 1 45 45 ARG HG2 H 1 1.536 0.030 . 2 . . . . 45 ARG HG2 . 11215 1 475 . 1 1 45 45 ARG HG3 H 1 1.642 0.030 . 2 . . . . 45 ARG HG3 . 11215 1 476 . 1 1 45 45 ARG C C 13 174.310 0.300 . 1 . . . . 45 ARG C . 11215 1 477 . 1 1 45 45 ARG CA C 13 54.426 0.300 . 1 . . . . 45 ARG CA . 11215 1 478 . 1 1 45 45 ARG CB C 13 34.321 0.300 . 1 . . . . 45 ARG CB . 11215 1 479 . 1 1 45 45 ARG CD C 13 43.493 0.300 . 1 . . . . 45 ARG CD . 11215 1 480 . 1 1 45 45 ARG CG C 13 27.525 0.300 . 1 . . . . 45 ARG CG . 11215 1 481 . 1 1 45 45 ARG N N 15 124.086 0.300 . 1 . . . . 45 ARG N . 11215 1 482 . 1 1 45 45 ARG NE N 15 85.430 0.300 . 1 . . . . 45 ARG NE . 11215 1 483 . 1 1 46 46 LEU H H 1 8.377 0.030 . 1 . . . . 46 LEU H . 11215 1 484 . 1 1 46 46 LEU HA H 1 5.196 0.030 . 1 . . . . 46 LEU HA . 11215 1 485 . 1 1 46 46 LEU HB2 H 1 1.652 0.030 . 2 . . . . 46 LEU HB2 . 11215 1 486 . 1 1 46 46 LEU HB3 H 1 1.535 0.030 . 2 . . . . 46 LEU HB3 . 11215 1 487 . 1 1 46 46 LEU HD11 H 1 0.850 0.030 . 1 . . . . 46 LEU HD1 . 11215 1 488 . 1 1 46 46 LEU HD12 H 1 0.850 0.030 . 1 . . . . 46 LEU HD1 . 11215 1 489 . 1 1 46 46 LEU HD13 H 1 0.850 0.030 . 1 . . . . 46 LEU HD1 . 11215 1 490 . 1 1 46 46 LEU HD21 H 1 0.868 0.030 . 1 . . . . 46 LEU HD2 . 11215 1 491 . 1 1 46 46 LEU HD22 H 1 0.868 0.030 . 1 . . . . 46 LEU HD2 . 11215 1 492 . 1 1 46 46 LEU HD23 H 1 0.868 0.030 . 1 . . . . 46 LEU HD2 . 11215 1 493 . 1 1 46 46 LEU HG H 1 1.461 0.030 . 1 . . . . 46 LEU HG . 11215 1 494 . 1 1 46 46 LEU C C 13 174.704 0.300 . 1 . . . . 46 LEU C . 11215 1 495 . 1 1 46 46 LEU CA C 13 53.044 0.300 . 1 . . . . 46 LEU CA . 11215 1 496 . 1 1 46 46 LEU CB C 13 45.735 0.300 . 1 . . . . 46 LEU CB . 11215 1 497 . 1 1 46 46 LEU CD1 C 13 24.881 0.300 . 2 . . . . 46 LEU CD1 . 11215 1 498 . 1 1 46 46 LEU CD2 C 13 24.967 0.300 . 2 . . . . 46 LEU CD2 . 11215 1 499 . 1 1 46 46 LEU CG C 13 27.243 0.300 . 1 . . . . 46 LEU CG . 11215 1 500 . 1 1 46 46 LEU N N 15 122.723 0.300 . 1 . . . . 46 LEU N . 11215 1 501 . 1 1 47 47 TYR H H 1 8.872 0.030 . 1 . . . . 47 TYR H . 11215 1 502 . 1 1 47 47 TYR HA H 1 5.415 0.030 . 1 . . . . 47 TYR HA . 11215 1 503 . 1 1 47 47 TYR HB2 H 1 2.794 0.030 . 2 . . . . 47 TYR HB2 . 11215 1 504 . 1 1 47 47 TYR HB3 H 1 2.578 0.030 . 2 . . . . 47 TYR HB3 . 11215 1 505 . 1 1 47 47 TYR HD1 H 1 6.882 0.030 . 1 . . . . 47 TYR HD1 . 11215 1 506 . 1 1 47 47 TYR HD2 H 1 6.882 0.030 . 1 . . . . 47 TYR HD2 . 11215 1 507 . 1 1 47 47 TYR HE1 H 1 6.636 0.030 . 1 . . . . 47 TYR HE1 . 11215 1 508 . 1 1 47 47 TYR HE2 H 1 6.636 0.030 . 1 . . . . 47 TYR HE2 . 11215 1 509 . 1 1 47 47 TYR C C 13 175.694 0.300 . 1 . . . . 47 TYR C . 11215 1 510 . 1 1 47 47 TYR CA C 13 55.974 0.300 . 1 . . . . 47 TYR CA . 11215 1 511 . 1 1 47 47 TYR CB C 13 42.696 0.300 . 1 . . . . 47 TYR CB . 11215 1 512 . 1 1 47 47 TYR CD1 C 13 132.799 0.300 . 1 . . . . 47 TYR CD1 . 11215 1 513 . 1 1 47 47 TYR CD2 C 13 132.799 0.300 . 1 . . . . 47 TYR CD2 . 11215 1 514 . 1 1 47 47 TYR CE1 C 13 117.595 0.300 . 1 . . . . 47 TYR CE1 . 11215 1 515 . 1 1 47 47 TYR CE2 C 13 117.595 0.300 . 1 . . . . 47 TYR CE2 . 11215 1 516 . 1 1 47 47 TYR N N 15 119.902 0.300 . 1 . . . . 47 TYR N . 11215 1 517 . 1 1 48 48 VAL H H 1 9.143 0.030 . 1 . . . . 48 VAL H . 11215 1 518 . 1 1 48 48 VAL HA H 1 4.325 0.030 . 1 . . . . 48 VAL HA . 11215 1 519 . 1 1 48 48 VAL HB H 1 2.394 0.030 . 1 . . . . 48 VAL HB . 11215 1 520 . 1 1 48 48 VAL HG11 H 1 0.814 0.030 . 1 . . . . 48 VAL HG1 . 11215 1 521 . 1 1 48 48 VAL HG12 H 1 0.814 0.030 . 1 . . . . 48 VAL HG1 . 11215 1 522 . 1 1 48 48 VAL HG13 H 1 0.814 0.030 . 1 . . . . 48 VAL HG1 . 11215 1 523 . 1 1 48 48 VAL HG21 H 1 0.849 0.030 . 1 . . . . 48 VAL HG2 . 11215 1 524 . 1 1 48 48 VAL HG22 H 1 0.849 0.030 . 1 . . . . 48 VAL HG2 . 11215 1 525 . 1 1 48 48 VAL HG23 H 1 0.849 0.030 . 1 . . . . 48 VAL HG2 . 11215 1 526 . 1 1 48 48 VAL C C 13 176.521 0.300 . 1 . . . . 48 VAL C . 11215 1 527 . 1 1 48 48 VAL CA C 13 62.764 0.300 . 1 . . . . 48 VAL CA . 11215 1 528 . 1 1 48 48 VAL CB C 13 31.499 0.300 . 1 . . . . 48 VAL CB . 11215 1 529 . 1 1 48 48 VAL CG1 C 13 23.351 0.300 . 2 . . . . 48 VAL CG1 . 11215 1 530 . 1 1 48 48 VAL CG2 C 13 22.254 0.300 . 2 . . . . 48 VAL CG2 . 11215 1 531 . 1 1 48 48 VAL N N 15 121.045 0.300 . 1 . . . . 48 VAL N . 11215 1 532 . 1 1 49 49 ASN H H 1 9.252 0.030 . 1 . . . . 49 ASN H . 11215 1 533 . 1 1 49 49 ASN HA H 1 4.815 0.030 . 1 . . . . 49 ASN HA . 11215 1 534 . 1 1 49 49 ASN HB2 H 1 2.777 0.030 . 2 . . . . 49 ASN HB2 . 11215 1 535 . 1 1 49 49 ASN HB3 H 1 2.647 0.030 . 2 . . . . 49 ASN HB3 . 11215 1 536 . 1 1 49 49 ASN HD21 H 1 6.878 0.030 . 1 . . . . 49 ASN HD21 . 11215 1 537 . 1 1 49 49 ASN HD22 H 1 6.878 0.030 . 1 . . . . 49 ASN HD22 . 11215 1 538 . 1 1 49 49 ASN C C 13 174.536 0.300 . 1 . . . . 49 ASN C . 11215 1 539 . 1 1 49 49 ASN CA C 13 54.195 0.300 . 1 . . . . 49 ASN CA . 11215 1 540 . 1 1 49 49 ASN CB C 13 39.757 0.300 . 1 . . . . 49 ASN CB . 11215 1 541 . 1 1 49 49 ASN N N 15 129.749 0.300 . 1 . . . . 49 ASN N . 11215 1 542 . 1 1 49 49 ASN ND2 N 15 112.823 0.300 . 1 . . . . 49 ASN ND2 . 11215 1 543 . 1 1 50 50 SER H H 1 7.523 0.030 . 1 . . . . 50 SER H . 11215 1 544 . 1 1 50 50 SER HA H 1 4.549 0.030 . 1 . . . . 50 SER HA . 11215 1 545 . 1 1 50 50 SER HB2 H 1 3.784 0.030 . 1 . . . . 50 SER HB2 . 11215 1 546 . 1 1 50 50 SER HB3 H 1 3.784 0.030 . 1 . . . . 50 SER HB3 . 11215 1 547 . 1 1 50 50 SER C C 13 172.169 0.300 . 1 . . . . 50 SER C . 11215 1 548 . 1 1 50 50 SER CA C 13 57.502 0.300 . 1 . . . . 50 SER CA . 11215 1 549 . 1 1 50 50 SER CB C 13 64.608 0.300 . 1 . . . . 50 SER CB . 11215 1 550 . 1 1 50 50 SER N N 15 111.272 0.300 . 1 . . . . 50 SER N . 11215 1 551 . 1 1 51 51 VAL H H 1 8.596 0.030 . 1 . . . . 51 VAL H . 11215 1 552 . 1 1 51 51 VAL HA H 1 4.641 0.030 . 1 . . . . 51 VAL HA . 11215 1 553 . 1 1 51 51 VAL HB H 1 1.942 0.030 . 1 . . . . 51 VAL HB . 11215 1 554 . 1 1 51 51 VAL HG11 H 1 0.828 0.030 . 1 . . . . 51 VAL HG1 . 11215 1 555 . 1 1 51 51 VAL HG12 H 1 0.828 0.030 . 1 . . . . 51 VAL HG1 . 11215 1 556 . 1 1 51 51 VAL HG13 H 1 0.828 0.030 . 1 . . . . 51 VAL HG1 . 11215 1 557 . 1 1 51 51 VAL HG21 H 1 0.713 0.030 . 1 . . . . 51 VAL HG2 . 11215 1 558 . 1 1 51 51 VAL HG22 H 1 0.713 0.030 . 1 . . . . 51 VAL HG2 . 11215 1 559 . 1 1 51 51 VAL HG23 H 1 0.713 0.030 . 1 . . . . 51 VAL HG2 . 11215 1 560 . 1 1 51 51 VAL C C 13 175.291 0.300 . 1 . . . . 51 VAL C . 11215 1 561 . 1 1 51 51 VAL CA C 13 61.081 0.300 . 1 . . . . 51 VAL CA . 11215 1 562 . 1 1 51 51 VAL CB C 13 35.150 0.300 . 1 . . . . 51 VAL CB . 11215 1 563 . 1 1 51 51 VAL CG1 C 13 21.636 0.300 . 2 . . . . 51 VAL CG1 . 11215 1 564 . 1 1 51 51 VAL CG2 C 13 21.636 0.300 . 2 . . . . 51 VAL CG2 . 11215 1 565 . 1 1 51 51 VAL N N 15 119.566 0.300 . 1 . . . . 51 VAL N . 11215 1 566 . 1 1 52 52 LYS H H 1 8.373 0.030 . 1 . . . . 52 LYS H . 11215 1 567 . 1 1 52 52 LYS HA H 1 4.408 0.030 . 1 . . . . 52 LYS HA . 11215 1 568 . 1 1 52 52 LYS HB2 H 1 1.851 0.030 . 2 . . . . 52 LYS HB2 . 11215 1 569 . 1 1 52 52 LYS HB3 H 1 1.791 0.030 . 2 . . . . 52 LYS HB3 . 11215 1 570 . 1 1 52 52 LYS HD2 H 1 1.676 0.030 . 1 . . . . 52 LYS HD2 . 11215 1 571 . 1 1 52 52 LYS HD3 H 1 1.676 0.030 . 1 . . . . 52 LYS HD3 . 11215 1 572 . 1 1 52 52 LYS HE2 H 1 2.986 0.030 . 1 . . . . 52 LYS HE2 . 11215 1 573 . 1 1 52 52 LYS HE3 H 1 2.986 0.030 . 1 . . . . 52 LYS HE3 . 11215 1 574 . 1 1 52 52 LYS HG2 H 1 1.405 0.030 . 2 . . . . 52 LYS HG2 . 11215 1 575 . 1 1 52 52 LYS HG3 H 1 1.512 0.030 . 2 . . . . 52 LYS HG3 . 11215 1 576 . 1 1 52 52 LYS C C 13 178.839 0.300 . 1 . . . . 52 LYS C . 11215 1 577 . 1 1 52 52 LYS CA C 13 55.758 0.300 . 1 . . . . 52 LYS CA . 11215 1 578 . 1 1 52 52 LYS CB C 13 32.975 0.300 . 1 . . . . 52 LYS CB . 11215 1 579 . 1 1 52 52 LYS CD C 13 29.028 0.300 . 1 . . . . 52 LYS CD . 11215 1 580 . 1 1 52 52 LYS CE C 13 42.046 0.300 . 1 . . . . 52 LYS CE . 11215 1 581 . 1 1 52 52 LYS CG C 13 24.684 0.300 . 1 . . . . 52 LYS CG . 11215 1 582 . 1 1 52 52 LYS N N 15 126.543 0.300 . 1 . . . . 52 LYS N . 11215 1 583 . 1 1 53 53 GLU H H 1 7.691 0.030 . 1 . . . . 53 GLU H . 11215 1 584 . 1 1 53 53 GLU HA H 1 4.193 0.030 . 1 . . . . 53 GLU HA . 11215 1 585 . 1 1 53 53 GLU HB2 H 1 2.134 0.030 . 2 . . . . 53 GLU HB2 . 11215 1 586 . 1 1 53 53 GLU HB3 H 1 2.175 0.030 . 2 . . . . 53 GLU HB3 . 11215 1 587 . 1 1 53 53 GLU HG2 H 1 2.420 0.030 . 1 . . . . 53 GLU HG2 . 11215 1 588 . 1 1 53 53 GLU HG3 H 1 2.420 0.030 . 1 . . . . 53 GLU HG3 . 11215 1 589 . 1 1 53 53 GLU CA C 13 59.602 0.300 . 1 . . . . 53 GLU CA . 11215 1 590 . 1 1 53 53 GLU CB C 13 29.446 0.300 . 1 . . . . 53 GLU CB . 11215 1 591 . 1 1 53 53 GLU CG C 13 36.298 0.300 . 1 . . . . 53 GLU CG . 11215 1 592 . 1 1 54 54 THR HA H 1 4.368 0.030 . 1 . . . . 54 THR HA . 11215 1 593 . 1 1 54 54 THR HB H 1 4.577 0.030 . 1 . . . . 54 THR HB . 11215 1 594 . 1 1 54 54 THR HG21 H 1 1.245 0.030 . 1 . . . . 54 THR HG2 . 11215 1 595 . 1 1 54 54 THR HG22 H 1 1.245 0.030 . 1 . . . . 54 THR HG2 . 11215 1 596 . 1 1 54 54 THR HG23 H 1 1.245 0.030 . 1 . . . . 54 THR HG2 . 11215 1 597 . 1 1 54 54 THR C C 13 174.863 0.300 . 1 . . . . 54 THR C . 11215 1 598 . 1 1 54 54 THR CA C 13 61.985 0.300 . 1 . . . . 54 THR CA . 11215 1 599 . 1 1 54 54 THR CB C 13 69.121 0.300 . 1 . . . . 54 THR CB . 11215 1 600 . 1 1 54 54 THR CG2 C 13 22.031 0.300 . 1 . . . . 54 THR CG2 . 11215 1 601 . 1 1 55 55 GLY H H 1 7.683 0.030 . 1 . . . . 55 GLY H . 11215 1 602 . 1 1 55 55 GLY HA2 H 1 4.385 0.030 . 2 . . . . 55 GLY HA2 . 11215 1 603 . 1 1 55 55 GLY HA3 H 1 3.994 0.030 . 2 . . . . 55 GLY HA3 . 11215 1 604 . 1 1 55 55 GLY C C 13 174.183 0.300 . 1 . . . . 55 GLY C . 11215 1 605 . 1 1 55 55 GLY CA C 13 45.028 0.300 . 1 . . . . 55 GLY CA . 11215 1 606 . 1 1 55 55 GLY N N 15 107.911 0.300 . 1 . . . . 55 GLY N . 11215 1 607 . 1 1 56 56 LEU H H 1 8.571 0.030 . 1 . . . . 56 LEU H . 11215 1 608 . 1 1 56 56 LEU HA H 1 4.057 0.030 . 1 . . . . 56 LEU HA . 11215 1 609 . 1 1 56 56 LEU HB2 H 1 1.867 0.030 . 2 . . . . 56 LEU HB2 . 11215 1 610 . 1 1 56 56 LEU HB3 H 1 1.537 0.030 . 2 . . . . 56 LEU HB3 . 11215 1 611 . 1 1 56 56 LEU HD11 H 1 0.912 0.030 . 1 . . . . 56 LEU HD1 . 11215 1 612 . 1 1 56 56 LEU HD12 H 1 0.912 0.030 . 1 . . . . 56 LEU HD1 . 11215 1 613 . 1 1 56 56 LEU HD13 H 1 0.912 0.030 . 1 . . . . 56 LEU HD1 . 11215 1 614 . 1 1 56 56 LEU HD21 H 1 0.997 0.030 . 1 . . . . 56 LEU HD2 . 11215 1 615 . 1 1 56 56 LEU HD22 H 1 0.997 0.030 . 1 . . . . 56 LEU HD2 . 11215 1 616 . 1 1 56 56 LEU HD23 H 1 0.997 0.030 . 1 . . . . 56 LEU HD2 . 11215 1 617 . 1 1 56 56 LEU HG H 1 1.896 0.030 . 1 . . . . 56 LEU HG . 11215 1 618 . 1 1 56 56 LEU C C 13 179.661 0.300 . 1 . . . . 56 LEU C . 11215 1 619 . 1 1 56 56 LEU CA C 13 57.794 0.300 . 1 . . . . 56 LEU CA . 11215 1 620 . 1 1 56 56 LEU CB C 13 43.222 0.300 . 1 . . . . 56 LEU CB . 11215 1 621 . 1 1 56 56 LEU CD1 C 13 26.144 0.300 . 2 . . . . 56 LEU CD1 . 11215 1 622 . 1 1 56 56 LEU CD2 C 13 23.092 0.300 . 2 . . . . 56 LEU CD2 . 11215 1 623 . 1 1 56 56 LEU CG C 13 26.983 0.300 . 1 . . . . 56 LEU CG . 11215 1 624 . 1 1 56 56 LEU N N 15 117.067 0.300 . 1 . . . . 56 LEU N . 11215 1 625 . 1 1 57 57 ALA H H 1 8.314 0.030 . 1 . . . . 57 ALA H . 11215 1 626 . 1 1 57 57 ALA HA H 1 3.907 0.030 . 1 . . . . 57 ALA HA . 11215 1 627 . 1 1 57 57 ALA HB1 H 1 1.333 0.030 . 1 . . . . 57 ALA HB . 11215 1 628 . 1 1 57 57 ALA HB2 H 1 1.333 0.030 . 1 . . . . 57 ALA HB . 11215 1 629 . 1 1 57 57 ALA HB3 H 1 1.333 0.030 . 1 . . . . 57 ALA HB . 11215 1 630 . 1 1 57 57 ALA C C 13 179.569 0.300 . 1 . . . . 57 ALA C . 11215 1 631 . 1 1 57 57 ALA CA C 13 55.523 0.300 . 1 . . . . 57 ALA CA . 11215 1 632 . 1 1 57 57 ALA CB C 13 18.496 0.300 . 1 . . . . 57 ALA CB . 11215 1 633 . 1 1 57 57 ALA N N 15 119.717 0.300 . 1 . . . . 57 ALA N . 11215 1 634 . 1 1 58 58 SER H H 1 8.864 0.030 . 1 . . . . 58 SER H . 11215 1 635 . 1 1 58 58 SER HA H 1 4.204 0.030 . 1 . . . . 58 SER HA . 11215 1 636 . 1 1 58 58 SER HB2 H 1 3.986 0.030 . 2 . . . . 58 SER HB2 . 11215 1 637 . 1 1 58 58 SER HB3 H 1 3.941 0.030 . 2 . . . . 58 SER HB3 . 11215 1 638 . 1 1 58 58 SER C C 13 179.371 0.300 . 1 . . . . 58 SER C . 11215 1 639 . 1 1 58 58 SER CA C 13 60.560 0.300 . 1 . . . . 58 SER CA . 11215 1 640 . 1 1 58 58 SER CB C 13 63.068 0.300 . 1 . . . . 58 SER CB . 11215 1 641 . 1 1 58 58 SER N N 15 114.078 0.300 . 1 . . . . 58 SER N . 11215 1 642 . 1 1 59 59 LYS H H 1 7.663 0.030 . 1 . . . . 59 LYS H . 11215 1 643 . 1 1 59 59 LYS HA H 1 4.181 0.030 . 1 . . . . 59 LYS HA . 11215 1 644 . 1 1 59 59 LYS HB2 H 1 2.020 0.030 . 1 . . . . 59 LYS HB2 . 11215 1 645 . 1 1 59 59 LYS HB3 H 1 2.020 0.030 . 1 . . . . 59 LYS HB3 . 11215 1 646 . 1 1 59 59 LYS HD2 H 1 1.673 0.030 . 2 . . . . 59 LYS HD2 . 11215 1 647 . 1 1 59 59 LYS HD3 H 1 1.732 0.030 . 2 . . . . 59 LYS HD3 . 11215 1 648 . 1 1 59 59 LYS HE2 H 1 2.990 0.030 . 1 . . . . 59 LYS HE2 . 11215 1 649 . 1 1 59 59 LYS HE3 H 1 2.990 0.030 . 1 . . . . 59 LYS HE3 . 11215 1 650 . 1 1 59 59 LYS HG2 H 1 1.552 0.030 . 2 . . . . 59 LYS HG2 . 11215 1 651 . 1 1 59 59 LYS HG3 H 1 1.671 0.030 . 2 . . . . 59 LYS HG3 . 11215 1 652 . 1 1 59 59 LYS C C 13 178.230 0.300 . 1 . . . . 59 LYS C . 11215 1 653 . 1 1 59 59 LYS CA C 13 58.555 0.300 . 1 . . . . 59 LYS CA . 11215 1 654 . 1 1 59 59 LYS CB C 13 32.158 0.300 . 1 . . . . 59 LYS CB . 11215 1 655 . 1 1 59 59 LYS CD C 13 29.065 0.300 . 1 . . . . 59 LYS CD . 11215 1 656 . 1 1 59 59 LYS CE C 13 42.190 0.300 . 1 . . . . 59 LYS CE . 11215 1 657 . 1 1 59 59 LYS CG C 13 25.400 0.300 . 1 . . . . 59 LYS CG . 11215 1 658 . 1 1 59 59 LYS N N 15 120.236 0.300 . 1 . . . . 59 LYS N . 11215 1 659 . 1 1 60 60 LYS H H 1 7.409 0.030 . 1 . . . . 60 LYS H . 11215 1 660 . 1 1 60 60 LYS HA H 1 4.481 0.030 . 1 . . . . 60 LYS HA . 11215 1 661 . 1 1 60 60 LYS HB2 H 1 2.065 0.030 . 2 . . . . 60 LYS HB2 . 11215 1 662 . 1 1 60 60 LYS HB3 H 1 1.754 0.030 . 2 . . . . 60 LYS HB3 . 11215 1 663 . 1 1 60 60 LYS HD2 H 1 1.718 0.030 . 2 . . . . 60 LYS HD2 . 11215 1 664 . 1 1 60 60 LYS HD3 H 1 1.843 0.030 . 2 . . . . 60 LYS HD3 . 11215 1 665 . 1 1 60 60 LYS HE2 H 1 3.147 0.030 . 2 . . . . 60 LYS HE2 . 11215 1 666 . 1 1 60 60 LYS HE3 H 1 3.234 0.030 . 2 . . . . 60 LYS HE3 . 11215 1 667 . 1 1 60 60 LYS HG2 H 1 1.562 0.030 . 2 . . . . 60 LYS HG2 . 11215 1 668 . 1 1 60 60 LYS HG3 H 1 1.659 0.030 . 2 . . . . 60 LYS HG3 . 11215 1 669 . 1 1 60 60 LYS C C 13 176.216 0.300 . 1 . . . . 60 LYS C . 11215 1 670 . 1 1 60 60 LYS CA C 13 53.940 0.300 . 1 . . . . 60 LYS CA . 11215 1 671 . 1 1 60 60 LYS CB C 13 31.826 0.300 . 1 . . . . 60 LYS CB . 11215 1 672 . 1 1 60 60 LYS CD C 13 27.664 0.300 . 1 . . . . 60 LYS CD . 11215 1 673 . 1 1 60 60 LYS CE C 13 42.235 0.300 . 1 . . . . 60 LYS CE . 11215 1 674 . 1 1 60 60 LYS CG C 13 24.483 0.300 . 1 . . . . 60 LYS CG . 11215 1 675 . 1 1 60 60 LYS N N 15 115.928 0.300 . 1 . . . . 60 LYS N . 11215 1 676 . 1 1 61 61 GLY H H 1 7.715 0.030 . 1 . . . . 61 GLY H . 11215 1 677 . 1 1 61 61 GLY HA2 H 1 4.242 0.030 . 2 . . . . 61 GLY HA2 . 11215 1 678 . 1 1 61 61 GLY HA3 H 1 3.725 0.030 . 2 . . . . 61 GLY HA3 . 11215 1 679 . 1 1 61 61 GLY C C 13 174.519 0.300 . 1 . . . . 61 GLY C . 11215 1 680 . 1 1 61 61 GLY CA C 13 45.394 0.300 . 1 . . . . 61 GLY CA . 11215 1 681 . 1 1 61 61 GLY N N 15 105.573 0.300 . 1 . . . . 61 GLY N . 11215 1 682 . 1 1 62 62 LEU H H 1 7.493 0.030 . 1 . . . . 62 LEU H . 11215 1 683 . 1 1 62 62 LEU HA H 1 4.050 0.030 . 1 . . . . 62 LEU HA . 11215 1 684 . 1 1 62 62 LEU HB2 H 1 1.251 0.030 . 2 . . . . 62 LEU HB2 . 11215 1 685 . 1 1 62 62 LEU HB3 H 1 0.872 0.030 . 2 . . . . 62 LEU HB3 . 11215 1 686 . 1 1 62 62 LEU HD11 H 1 0.097 0.030 . 1 . . . . 62 LEU HD1 . 11215 1 687 . 1 1 62 62 LEU HD12 H 1 0.097 0.030 . 1 . . . . 62 LEU HD1 . 11215 1 688 . 1 1 62 62 LEU HD13 H 1 0.097 0.030 . 1 . . . . 62 LEU HD1 . 11215 1 689 . 1 1 62 62 LEU HD21 H 1 0.628 0.030 . 1 . . . . 62 LEU HD2 . 11215 1 690 . 1 1 62 62 LEU HD22 H 1 0.628 0.030 . 1 . . . . 62 LEU HD2 . 11215 1 691 . 1 1 62 62 LEU HD23 H 1 0.628 0.030 . 1 . . . . 62 LEU HD2 . 11215 1 692 . 1 1 62 62 LEU HG H 1 1.367 0.030 . 1 . . . . 62 LEU HG . 11215 1 693 . 1 1 62 62 LEU C C 13 174.925 0.300 . 1 . . . . 62 LEU C . 11215 1 694 . 1 1 62 62 LEU CA C 13 55.403 0.300 . 1 . . . . 62 LEU CA . 11215 1 695 . 1 1 62 62 LEU CB C 13 43.576 0.300 . 1 . . . . 62 LEU CB . 11215 1 696 . 1 1 62 62 LEU CD1 C 13 25.618 0.300 . 2 . . . . 62 LEU CD1 . 11215 1 697 . 1 1 62 62 LEU CD2 C 13 24.545 0.300 . 2 . . . . 62 LEU CD2 . 11215 1 698 . 1 1 62 62 LEU CG C 13 26.837 0.300 . 1 . . . . 62 LEU CG . 11215 1 699 . 1 1 62 62 LEU N N 15 122.770 0.300 . 1 . . . . 62 LEU N . 11215 1 700 . 1 1 63 63 LYS H H 1 8.524 0.030 . 1 . . . . 63 LYS H . 11215 1 701 . 1 1 63 63 LYS HA H 1 4.565 0.030 . 1 . . . . 63 LYS HA . 11215 1 702 . 1 1 63 63 LYS HB2 H 1 1.867 0.030 . 2 . . . . 63 LYS HB2 . 11215 1 703 . 1 1 63 63 LYS HB3 H 1 1.657 0.030 . 2 . . . . 63 LYS HB3 . 11215 1 704 . 1 1 63 63 LYS HD2 H 1 1.660 0.030 . 2 . . . . 63 LYS HD2 . 11215 1 705 . 1 1 63 63 LYS HD3 H 1 1.731 0.030 . 2 . . . . 63 LYS HD3 . 11215 1 706 . 1 1 63 63 LYS HE2 H 1 3.040 0.030 . 1 . . . . 63 LYS HE2 . 11215 1 707 . 1 1 63 63 LYS HE3 H 1 3.040 0.030 . 1 . . . . 63 LYS HE3 . 11215 1 708 . 1 1 63 63 LYS HG2 H 1 1.405 0.030 . 1 . . . . 63 LYS HG2 . 11215 1 709 . 1 1 63 63 LYS HG3 H 1 1.405 0.030 . 1 . . . . 63 LYS HG3 . 11215 1 710 . 1 1 63 63 LYS C C 13 175.562 0.300 . 1 . . . . 63 LYS C . 11215 1 711 . 1 1 63 63 LYS CA C 13 54.547 0.300 . 1 . . . . 63 LYS CA . 11215 1 712 . 1 1 63 63 LYS CB C 13 35.423 0.300 . 1 . . . . 63 LYS CB . 11215 1 713 . 1 1 63 63 LYS CD C 13 29.116 0.300 . 1 . . . . 63 LYS CD . 11215 1 714 . 1 1 63 63 LYS CE C 13 41.951 0.300 . 1 . . . . 63 LYS CE . 11215 1 715 . 1 1 63 63 LYS CG C 13 23.798 0.300 . 1 . . . . 63 LYS CG . 11215 1 716 . 1 1 63 63 LYS N N 15 123.609 0.300 . 1 . . . . 63 LYS N . 11215 1 717 . 1 1 64 64 ALA H H 1 8.551 0.030 . 1 . . . . 64 ALA H . 11215 1 718 . 1 1 64 64 ALA HA H 1 3.741 0.030 . 1 . . . . 64 ALA HA . 11215 1 719 . 1 1 64 64 ALA HB1 H 1 1.307 0.030 . 1 . . . . 64 ALA HB . 11215 1 720 . 1 1 64 64 ALA HB2 H 1 1.307 0.030 . 1 . . . . 64 ALA HB . 11215 1 721 . 1 1 64 64 ALA HB3 H 1 1.307 0.030 . 1 . . . . 64 ALA HB . 11215 1 722 . 1 1 64 64 ALA C C 13 178.477 0.300 . 1 . . . . 64 ALA C . 11215 1 723 . 1 1 64 64 ALA CA C 13 53.389 0.300 . 1 . . . . 64 ALA CA . 11215 1 724 . 1 1 64 64 ALA CB C 13 17.610 0.300 . 1 . . . . 64 ALA CB . 11215 1 725 . 1 1 64 64 ALA N N 15 122.723 0.300 . 1 . . . . 64 ALA N . 11215 1 726 . 1 1 65 65 GLY H H 1 9.148 0.030 . 1 . . . . 65 GLY H . 11215 1 727 . 1 1 65 65 GLY HA2 H 1 4.477 0.030 . 2 . . . . 65 GLY HA2 . 11215 1 728 . 1 1 65 65 GLY HA3 H 1 3.620 0.030 . 2 . . . . 65 GLY HA3 . 11215 1 729 . 1 1 65 65 GLY C C 13 174.678 0.300 . 1 . . . . 65 GLY C . 11215 1 730 . 1 1 65 65 GLY CA C 13 44.741 0.300 . 1 . . . . 65 GLY CA . 11215 1 731 . 1 1 65 65 GLY N N 15 112.652 0.300 . 1 . . . . 65 GLY N . 11215 1 732 . 1 1 66 66 ASP H H 1 7.951 0.030 . 1 . . . . 66 ASP H . 11215 1 733 . 1 1 66 66 ASP HA H 1 4.722 0.030 . 1 . . . . 66 ASP HA . 11215 1 734 . 1 1 66 66 ASP HB2 H 1 2.684 0.030 . 2 . . . . 66 ASP HB2 . 11215 1 735 . 1 1 66 66 ASP HB3 H 1 2.327 0.030 . 2 . . . . 66 ASP HB3 . 11215 1 736 . 1 1 66 66 ASP C C 13 175.075 0.300 . 1 . . . . 66 ASP C . 11215 1 737 . 1 1 66 66 ASP CA C 13 56.055 0.300 . 1 . . . . 66 ASP CA . 11215 1 738 . 1 1 66 66 ASP CB C 13 40.523 0.300 . 1 . . . . 66 ASP CB . 11215 1 739 . 1 1 66 66 ASP N N 15 122.589 0.300 . 1 . . . . 66 ASP N . 11215 1 740 . 1 1 67 67 GLU H H 1 8.561 0.030 . 1 . . . . 67 GLU H . 11215 1 741 . 1 1 67 67 GLU HA H 1 4.721 0.030 . 1 . . . . 67 GLU HA . 11215 1 742 . 1 1 67 67 GLU HB2 H 1 1.926 0.030 . 2 . . . . 67 GLU HB2 . 11215 1 743 . 1 1 67 67 GLU HB3 H 1 1.996 0.030 . 2 . . . . 67 GLU HB3 . 11215 1 744 . 1 1 67 67 GLU HG2 H 1 1.925 0.030 . 2 . . . . 67 GLU HG2 . 11215 1 745 . 1 1 67 67 GLU HG3 H 1 1.757 0.030 . 2 . . . . 67 GLU HG3 . 11215 1 746 . 1 1 67 67 GLU C C 13 175.716 0.300 . 1 . . . . 67 GLU C . 11215 1 747 . 1 1 67 67 GLU CA C 13 54.444 0.300 . 1 . . . . 67 GLU CA . 11215 1 748 . 1 1 67 67 GLU CB C 13 31.911 0.300 . 1 . . . . 67 GLU CB . 11215 1 749 . 1 1 67 67 GLU CG C 13 35.664 0.300 . 1 . . . . 67 GLU CG . 11215 1 750 . 1 1 67 67 GLU N N 15 122.282 0.300 . 1 . . . . 67 GLU N . 11215 1 751 . 1 1 68 68 ILE H H 1 8.799 0.030 . 1 . . . . 68 ILE H . 11215 1 752 . 1 1 68 68 ILE HA H 1 4.219 0.030 . 1 . . . . 68 ILE HA . 11215 1 753 . 1 1 68 68 ILE HB H 1 1.810 0.030 . 1 . . . . 68 ILE HB . 11215 1 754 . 1 1 68 68 ILE HD11 H 1 0.591 0.030 . 1 . . . . 68 ILE HD1 . 11215 1 755 . 1 1 68 68 ILE HD12 H 1 0.591 0.030 . 1 . . . . 68 ILE HD1 . 11215 1 756 . 1 1 68 68 ILE HD13 H 1 0.591 0.030 . 1 . . . . 68 ILE HD1 . 11215 1 757 . 1 1 68 68 ILE HG12 H 1 1.248 0.030 . 2 . . . . 68 ILE HG12 . 11215 1 758 . 1 1 68 68 ILE HG13 H 1 1.142 0.030 . 2 . . . . 68 ILE HG13 . 11215 1 759 . 1 1 68 68 ILE HG21 H 1 0.708 0.030 . 1 . . . . 68 ILE HG2 . 11215 1 760 . 1 1 68 68 ILE HG22 H 1 0.708 0.030 . 1 . . . . 68 ILE HG2 . 11215 1 761 . 1 1 68 68 ILE HG23 H 1 0.708 0.030 . 1 . . . . 68 ILE HG2 . 11215 1 762 . 1 1 68 68 ILE C C 13 174.818 0.300 . 1 . . . . 68 ILE C . 11215 1 763 . 1 1 68 68 ILE CA C 13 59.210 0.300 . 1 . . . . 68 ILE CA . 11215 1 764 . 1 1 68 68 ILE CB C 13 36.778 0.300 . 1 . . . . 68 ILE CB . 11215 1 765 . 1 1 68 68 ILE CD1 C 13 12.019 0.300 . 1 . . . . 68 ILE CD1 . 11215 1 766 . 1 1 68 68 ILE CG1 C 13 27.468 0.300 . 1 . . . . 68 ILE CG1 . 11215 1 767 . 1 1 68 68 ILE CG2 C 13 18.935 0.300 . 1 . . . . 68 ILE CG2 . 11215 1 768 . 1 1 68 68 ILE N N 15 126.573 0.300 . 1 . . . . 68 ILE N . 11215 1 769 . 1 1 69 69 LEU H H 1 9.209 0.030 . 1 . . . . 69 LEU H . 11215 1 770 . 1 1 69 69 LEU HA H 1 4.453 0.030 . 1 . . . . 69 LEU HA . 11215 1 771 . 1 1 69 69 LEU HB2 H 1 1.605 0.030 . 2 . . . . 69 LEU HB2 . 11215 1 772 . 1 1 69 69 LEU HB3 H 1 1.488 0.030 . 2 . . . . 69 LEU HB3 . 11215 1 773 . 1 1 69 69 LEU HD11 H 1 0.762 0.030 . 1 . . . . 69 LEU HD1 . 11215 1 774 . 1 1 69 69 LEU HD12 H 1 0.762 0.030 . 1 . . . . 69 LEU HD1 . 11215 1 775 . 1 1 69 69 LEU HD13 H 1 0.762 0.030 . 1 . . . . 69 LEU HD1 . 11215 1 776 . 1 1 69 69 LEU HD21 H 1 0.714 0.030 . 1 . . . . 69 LEU HD2 . 11215 1 777 . 1 1 69 69 LEU HD22 H 1 0.714 0.030 . 1 . . . . 69 LEU HD2 . 11215 1 778 . 1 1 69 69 LEU HD23 H 1 0.714 0.030 . 1 . . . . 69 LEU HD2 . 11215 1 779 . 1 1 69 69 LEU HG H 1 1.512 0.030 . 1 . . . . 69 LEU HG . 11215 1 780 . 1 1 69 69 LEU C C 13 178.882 0.300 . 1 . . . . 69 LEU C . 11215 1 781 . 1 1 69 69 LEU CA C 13 55.964 0.300 . 1 . . . . 69 LEU CA . 11215 1 782 . 1 1 69 69 LEU CB C 13 42.674 0.300 . 1 . . . . 69 LEU CB . 11215 1 783 . 1 1 69 69 LEU CD1 C 13 25.589 0.300 . 2 . . . . 69 LEU CD1 . 11215 1 784 . 1 1 69 69 LEU CD2 C 13 21.930 0.300 . 2 . . . . 69 LEU CD2 . 11215 1 785 . 1 1 69 69 LEU CG C 13 27.235 0.300 . 1 . . . . 69 LEU CG . 11215 1 786 . 1 1 69 69 LEU N N 15 126.968 0.300 . 1 . . . . 69 LEU N . 11215 1 787 . 1 1 70 70 GLU H H 1 7.724 0.030 . 1 . . . . 70 GLU H . 11215 1 788 . 1 1 70 70 GLU HA H 1 5.077 0.030 . 1 . . . . 70 GLU HA . 11215 1 789 . 1 1 70 70 GLU HB2 H 1 1.546 0.030 . 2 . . . . 70 GLU HB2 . 11215 1 790 . 1 1 70 70 GLU HB3 H 1 1.779 0.030 . 2 . . . . 70 GLU HB3 . 11215 1 791 . 1 1 70 70 GLU HG2 H 1 1.985 0.030 . 1 . . . . 70 GLU HG2 . 11215 1 792 . 1 1 70 70 GLU HG3 H 1 1.985 0.030 . 1 . . . . 70 GLU HG3 . 11215 1 793 . 1 1 70 70 GLU C C 13 175.123 0.300 . 1 . . . . 70 GLU C . 11215 1 794 . 1 1 70 70 GLU CA C 13 54.792 0.300 . 1 . . . . 70 GLU CA . 11215 1 795 . 1 1 70 70 GLU CB C 13 35.783 0.300 . 1 . . . . 70 GLU CB . 11215 1 796 . 1 1 70 70 GLU CG C 13 36.048 0.300 . 1 . . . . 70 GLU CG . 11215 1 797 . 1 1 70 70 GLU N N 15 116.604 0.300 . 1 . . . . 70 GLU N . 11215 1 798 . 1 1 71 71 ILE H H 1 8.569 0.030 . 1 . . . . 71 ILE H . 11215 1 799 . 1 1 71 71 ILE HA H 1 4.656 0.030 . 1 . . . . 71 ILE HA . 11215 1 800 . 1 1 71 71 ILE HB H 1 1.502 0.030 . 1 . . . . 71 ILE HB . 11215 1 801 . 1 1 71 71 ILE HD11 H 1 0.697 0.030 . 1 . . . . 71 ILE HD1 . 11215 1 802 . 1 1 71 71 ILE HD12 H 1 0.697 0.030 . 1 . . . . 71 ILE HD1 . 11215 1 803 . 1 1 71 71 ILE HD13 H 1 0.697 0.030 . 1 . . . . 71 ILE HD1 . 11215 1 804 . 1 1 71 71 ILE HG12 H 1 1.352 0.030 . 2 . . . . 71 ILE HG12 . 11215 1 805 . 1 1 71 71 ILE HG13 H 1 0.840 0.030 . 2 . . . . 71 ILE HG13 . 11215 1 806 . 1 1 71 71 ILE HG21 H 1 0.644 0.030 . 1 . . . . 71 ILE HG2 . 11215 1 807 . 1 1 71 71 ILE HG22 H 1 0.644 0.030 . 1 . . . . 71 ILE HG2 . 11215 1 808 . 1 1 71 71 ILE HG23 H 1 0.644 0.030 . 1 . . . . 71 ILE HG2 . 11215 1 809 . 1 1 71 71 ILE C C 13 175.048 0.300 . 1 . . . . 71 ILE C . 11215 1 810 . 1 1 71 71 ILE CA C 13 60.366 0.300 . 1 . . . . 71 ILE CA . 11215 1 811 . 1 1 71 71 ILE CB C 13 39.858 0.300 . 1 . . . . 71 ILE CB . 11215 1 812 . 1 1 71 71 ILE CD1 C 13 13.363 0.300 . 1 . . . . 71 ILE CD1 . 11215 1 813 . 1 1 71 71 ILE CG1 C 13 27.292 0.300 . 1 . . . . 71 ILE CG1 . 11215 1 814 . 1 1 71 71 ILE CG2 C 13 17.645 0.300 . 1 . . . . 71 ILE CG2 . 11215 1 815 . 1 1 71 71 ILE N N 15 118.806 0.300 . 1 . . . . 71 ILE N . 11215 1 816 . 1 1 72 72 ASN H H 1 9.648 0.030 . 1 . . . . 72 ASN H . 11215 1 817 . 1 1 72 72 ASN HA H 1 4.176 0.030 . 1 . . . . 72 ASN HA . 11215 1 818 . 1 1 72 72 ASN HB2 H 1 2.692 0.030 . 2 . . . . 72 ASN HB2 . 11215 1 819 . 1 1 72 72 ASN HB3 H 1 2.259 0.030 . 2 . . . . 72 ASN HB3 . 11215 1 820 . 1 1 72 72 ASN HD21 H 1 7.652 0.030 . 2 . . . . 72 ASN HD21 . 11215 1 821 . 1 1 72 72 ASN HD22 H 1 5.004 0.030 . 2 . . . . 72 ASN HD22 . 11215 1 822 . 1 1 72 72 ASN C C 13 174.700 0.300 . 1 . . . . 72 ASN C . 11215 1 823 . 1 1 72 72 ASN CA C 13 53.701 0.300 . 1 . . . . 72 ASN CA . 11215 1 824 . 1 1 72 72 ASN CB C 13 36.292 0.300 . 1 . . . . 72 ASN CB . 11215 1 825 . 1 1 72 72 ASN N N 15 126.491 0.300 . 1 . . . . 72 ASN N . 11215 1 826 . 1 1 72 72 ASN ND2 N 15 111.793 0.300 . 1 . . . . 72 ASN ND2 . 11215 1 827 . 1 1 73 73 ASN H H 1 8.844 0.030 . 1 . . . . 73 ASN H . 11215 1 828 . 1 1 73 73 ASN HA H 1 4.216 0.030 . 1 . . . . 73 ASN HA . 11215 1 829 . 1 1 73 73 ASN HB2 H 1 3.033 0.030 . 1 . . . . 73 ASN HB2 . 11215 1 830 . 1 1 73 73 ASN HB3 H 1 3.033 0.030 . 1 . . . . 73 ASN HB3 . 11215 1 831 . 1 1 73 73 ASN HD21 H 1 7.567 0.030 . 2 . . . . 73 ASN HD21 . 11215 1 832 . 1 1 73 73 ASN HD22 H 1 6.822 0.030 . 2 . . . . 73 ASN HD22 . 11215 1 833 . 1 1 73 73 ASN C C 13 173.791 0.300 . 1 . . . . 73 ASN C . 11215 1 834 . 1 1 73 73 ASN CA C 13 54.935 0.300 . 1 . . . . 73 ASN CA . 11215 1 835 . 1 1 73 73 ASN CB C 13 37.403 0.300 . 1 . . . . 73 ASN CB . 11215 1 836 . 1 1 73 73 ASN N N 15 106.640 0.300 . 1 . . . . 73 ASN N . 11215 1 837 . 1 1 73 73 ASN ND2 N 15 113.134 0.300 . 1 . . . . 73 ASN ND2 . 11215 1 838 . 1 1 74 74 ARG H H 1 8.107 0.030 . 1 . . . . 74 ARG H . 11215 1 839 . 1 1 74 74 ARG HA H 1 4.612 0.030 . 1 . . . . 74 ARG HA . 11215 1 840 . 1 1 74 74 ARG HB2 H 1 2.106 0.030 . 2 . . . . 74 ARG HB2 . 11215 1 841 . 1 1 74 74 ARG HB3 H 1 1.868 0.030 . 2 . . . . 74 ARG HB3 . 11215 1 842 . 1 1 74 74 ARG HD2 H 1 3.262 0.030 . 1 . . . . 74 ARG HD2 . 11215 1 843 . 1 1 74 74 ARG HD3 H 1 3.262 0.030 . 1 . . . . 74 ARG HD3 . 11215 1 844 . 1 1 74 74 ARG HG2 H 1 1.775 0.030 . 2 . . . . 74 ARG HG2 . 11215 1 845 . 1 1 74 74 ARG HG3 H 1 1.825 0.030 . 2 . . . . 74 ARG HG3 . 11215 1 846 . 1 1 74 74 ARG C C 13 174.814 0.300 . 1 . . . . 74 ARG C . 11215 1 847 . 1 1 74 74 ARG CA C 13 53.985 0.300 . 1 . . . . 74 ARG CA . 11215 1 848 . 1 1 74 74 ARG CB C 13 31.276 0.300 . 1 . . . . 74 ARG CB . 11215 1 849 . 1 1 74 74 ARG CD C 13 43.161 0.300 . 1 . . . . 74 ARG CD . 11215 1 850 . 1 1 74 74 ARG CG C 13 26.951 0.300 . 1 . . . . 74 ARG CG . 11215 1 851 . 1 1 74 74 ARG N N 15 120.222 0.300 . 1 . . . . 74 ARG N . 11215 1 852 . 1 1 75 75 ALA H H 1 8.541 0.030 . 1 . . . . 75 ALA H . 11215 1 853 . 1 1 75 75 ALA HA H 1 4.404 0.030 . 1 . . . . 75 ALA HA . 11215 1 854 . 1 1 75 75 ALA HB1 H 1 1.562 0.030 . 1 . . . . 75 ALA HB . 11215 1 855 . 1 1 75 75 ALA HB2 H 1 1.562 0.030 . 1 . . . . 75 ALA HB . 11215 1 856 . 1 1 75 75 ALA HB3 H 1 1.562 0.030 . 1 . . . . 75 ALA HB . 11215 1 857 . 1 1 75 75 ALA C C 13 178.551 0.300 . 1 . . . . 75 ALA C . 11215 1 858 . 1 1 75 75 ALA CA C 13 52.616 0.300 . 1 . . . . 75 ALA CA . 11215 1 859 . 1 1 75 75 ALA CB C 13 19.201 0.300 . 1 . . . . 75 ALA CB . 11215 1 860 . 1 1 75 75 ALA N N 15 126.047 0.300 . 1 . . . . 75 ALA N . 11215 1 861 . 1 1 76 76 ALA H H 1 7.891 0.030 . 1 . . . . 76 ALA H . 11215 1 862 . 1 1 76 76 ALA HA H 1 3.846 0.030 . 1 . . . . 76 ALA HA . 11215 1 863 . 1 1 76 76 ALA HB1 H 1 1.373 0.030 . 1 . . . . 76 ALA HB . 11215 1 864 . 1 1 76 76 ALA HB2 H 1 1.373 0.030 . 1 . . . . 76 ALA HB . 11215 1 865 . 1 1 76 76 ALA HB3 H 1 1.373 0.030 . 1 . . . . 76 ALA HB . 11215 1 866 . 1 1 76 76 ALA C C 13 178.666 0.300 . 1 . . . . 76 ALA C . 11215 1 867 . 1 1 76 76 ALA CA C 13 55.218 0.300 . 1 . . . . 76 ALA CA . 11215 1 868 . 1 1 76 76 ALA CB C 13 19.167 0.300 . 1 . . . . 76 ALA CB . 11215 1 869 . 1 1 76 76 ALA N N 15 122.538 0.300 . 1 . . . . 76 ALA N . 11215 1 870 . 1 1 77 77 ASP H H 1 8.427 0.030 . 1 . . . . 77 ASP H . 11215 1 871 . 1 1 77 77 ASP HA H 1 4.363 0.030 . 1 . . . . 77 ASP HA . 11215 1 872 . 1 1 77 77 ASP HB2 H 1 2.885 0.030 . 2 . . . . 77 ASP HB2 . 11215 1 873 . 1 1 77 77 ASP HB3 H 1 2.684 0.030 . 2 . . . . 77 ASP HB3 . 11215 1 874 . 1 1 77 77 ASP C C 13 176.312 0.300 . 1 . . . . 77 ASP C . 11215 1 875 . 1 1 77 77 ASP CA C 13 55.565 0.300 . 1 . . . . 77 ASP CA . 11215 1 876 . 1 1 77 77 ASP CB C 13 40.520 0.300 . 1 . . . . 77 ASP CB . 11215 1 877 . 1 1 77 77 ASP N N 15 113.473 0.300 . 1 . . . . 77 ASP N . 11215 1 878 . 1 1 78 78 ALA H H 1 7.636 0.030 . 1 . . . . 78 ALA H . 11215 1 879 . 1 1 78 78 ALA HA H 1 4.506 0.030 . 1 . . . . 78 ALA HA . 11215 1 880 . 1 1 78 78 ALA HB1 H 1 1.494 0.030 . 1 . . . . 78 ALA HB . 11215 1 881 . 1 1 78 78 ALA HB2 H 1 1.494 0.030 . 1 . . . . 78 ALA HB . 11215 1 882 . 1 1 78 78 ALA HB3 H 1 1.494 0.030 . 1 . . . . 78 ALA HB . 11215 1 883 . 1 1 78 78 ALA C C 13 177.554 0.300 . 1 . . . . 78 ALA C . 11215 1 884 . 1 1 78 78 ALA CA C 13 51.387 0.300 . 1 . . . . 78 ALA CA . 11215 1 885 . 1 1 78 78 ALA CB C 13 19.408 0.300 . 1 . . . . 78 ALA CB . 11215 1 886 . 1 1 78 78 ALA N N 15 120.905 0.300 . 1 . . . . 78 ALA N . 11215 1 887 . 1 1 79 79 LEU H H 1 7.176 0.030 . 1 . . . . 79 LEU H . 11215 1 888 . 1 1 79 79 LEU HA H 1 4.599 0.030 . 1 . . . . 79 LEU HA . 11215 1 889 . 1 1 79 79 LEU HB2 H 1 1.875 0.030 . 2 . . . . 79 LEU HB2 . 11215 1 890 . 1 1 79 79 LEU HB3 H 1 1.220 0.030 . 2 . . . . 79 LEU HB3 . 11215 1 891 . 1 1 79 79 LEU HD11 H 1 0.826 0.030 . 1 . . . . 79 LEU HD1 . 11215 1 892 . 1 1 79 79 LEU HD12 H 1 0.826 0.030 . 1 . . . . 79 LEU HD1 . 11215 1 893 . 1 1 79 79 LEU HD13 H 1 0.826 0.030 . 1 . . . . 79 LEU HD1 . 11215 1 894 . 1 1 79 79 LEU HD21 H 1 0.824 0.030 . 1 . . . . 79 LEU HD2 . 11215 1 895 . 1 1 79 79 LEU HD22 H 1 0.824 0.030 . 1 . . . . 79 LEU HD2 . 11215 1 896 . 1 1 79 79 LEU HD23 H 1 0.824 0.030 . 1 . . . . 79 LEU HD2 . 11215 1 897 . 1 1 79 79 LEU HG H 1 1.919 0.030 . 1 . . . . 79 LEU HG . 11215 1 898 . 1 1 79 79 LEU C C 13 175.811 0.300 . 1 . . . . 79 LEU C . 11215 1 899 . 1 1 79 79 LEU CA C 13 54.283 0.300 . 1 . . . . 79 LEU CA . 11215 1 900 . 1 1 79 79 LEU CB C 13 42.911 0.300 . 1 . . . . 79 LEU CB . 11215 1 901 . 1 1 79 79 LEU CD1 C 13 26.656 0.300 . 2 . . . . 79 LEU CD1 . 11215 1 902 . 1 1 79 79 LEU CD2 C 13 24.758 0.300 . 2 . . . . 79 LEU CD2 . 11215 1 903 . 1 1 79 79 LEU CG C 13 25.951 0.300 . 1 . . . . 79 LEU CG . 11215 1 904 . 1 1 79 79 LEU N N 15 119.018 0.300 . 1 . . . . 79 LEU N . 11215 1 905 . 1 1 80 80 ASN H H 1 7.342 0.030 . 1 . . . . 80 ASN H . 11215 1 906 . 1 1 80 80 ASN HA H 1 4.818 0.030 . 1 . . . . 80 ASN HA . 11215 1 907 . 1 1 80 80 ASN HB2 H 1 2.922 0.030 . 2 . . . . 80 ASN HB2 . 11215 1 908 . 1 1 80 80 ASN HB3 H 1 3.279 0.030 . 2 . . . . 80 ASN HB3 . 11215 1 909 . 1 1 80 80 ASN HD21 H 1 7.079 0.030 . 2 . . . . 80 ASN HD21 . 11215 1 910 . 1 1 80 80 ASN HD22 H 1 7.656 0.030 . 2 . . . . 80 ASN HD22 . 11215 1 911 . 1 1 80 80 ASN C C 13 175.591 0.300 . 1 . . . . 80 ASN C . 11215 1 912 . 1 1 80 80 ASN CA C 13 51.404 0.300 . 1 . . . . 80 ASN CA . 11215 1 913 . 1 1 80 80 ASN CB C 13 39.479 0.300 . 1 . . . . 80 ASN CB . 11215 1 914 . 1 1 80 80 ASN N N 15 119.554 0.300 . 1 . . . . 80 ASN N . 11215 1 915 . 1 1 80 80 ASN ND2 N 15 112.925 0.300 . 1 . . . . 80 ASN ND2 . 11215 1 916 . 1 1 81 81 SER H H 1 7.669 0.030 . 1 . . . . 81 SER H . 11215 1 917 . 1 1 81 81 SER HA H 1 4.048 0.030 . 1 . . . . 81 SER HA . 11215 1 918 . 1 1 81 81 SER HB2 H 1 3.949 0.030 . 1 . . . . 81 SER HB2 . 11215 1 919 . 1 1 81 81 SER HB3 H 1 3.949 0.030 . 1 . . . . 81 SER HB3 . 11215 1 920 . 1 1 81 81 SER CA C 13 62.150 0.300 . 1 . . . . 81 SER CA . 11215 1 921 . 1 1 81 81 SER CB C 13 62.554 0.300 . 1 . . . . 81 SER CB . 11215 1 922 . 1 1 82 82 SER H H 1 8.186 0.030 . 1 . . . . 82 SER H . 11215 1 923 . 1 1 82 82 SER HA H 1 4.196 0.030 . 1 . . . . 82 SER HA . 11215 1 924 . 1 1 82 82 SER HB2 H 1 3.915 0.030 . 1 . . . . 82 SER HB2 . 11215 1 925 . 1 1 82 82 SER HB3 H 1 3.915 0.030 . 1 . . . . 82 SER HB3 . 11215 1 926 . 1 1 82 82 SER C C 13 176.484 0.300 . 1 . . . . 82 SER C . 11215 1 927 . 1 1 82 82 SER CA C 13 61.613 0.300 . 1 . . . . 82 SER CA . 11215 1 928 . 1 1 82 82 SER CB C 13 62.250 0.300 . 1 . . . . 82 SER CB . 11215 1 929 . 1 1 83 83 MET H H 1 8.180 0.030 . 1 . . . . 83 MET H . 11215 1 930 . 1 1 83 83 MET HA H 1 3.959 0.030 . 1 . . . . 83 MET HA . 11215 1 931 . 1 1 83 83 MET HB2 H 1 1.909 0.030 . 2 . . . . 83 MET HB2 . 11215 1 932 . 1 1 83 83 MET HB3 H 1 1.620 0.030 . 2 . . . . 83 MET HB3 . 11215 1 933 . 1 1 83 83 MET HE1 H 1 2.097 0.030 . 1 . . . . 83 MET HE . 11215 1 934 . 1 1 83 83 MET HE2 H 1 2.097 0.030 . 1 . . . . 83 MET HE . 11215 1 935 . 1 1 83 83 MET HE3 H 1 2.097 0.030 . 1 . . . . 83 MET HE . 11215 1 936 . 1 1 83 83 MET HG2 H 1 2.489 0.030 . 2 . . . . 83 MET HG2 . 11215 1 937 . 1 1 83 83 MET HG3 H 1 2.170 0.030 . 2 . . . . 83 MET HG3 . 11215 1 938 . 1 1 83 83 MET C C 13 177.735 0.300 . 1 . . . . 83 MET C . 11215 1 939 . 1 1 83 83 MET CA C 13 58.204 0.300 . 1 . . . . 83 MET CA . 11215 1 940 . 1 1 83 83 MET CB C 13 33.876 0.300 . 1 . . . . 83 MET CB . 11215 1 941 . 1 1 83 83 MET CE C 13 17.289 0.300 . 1 . . . . 83 MET CE . 11215 1 942 . 1 1 83 83 MET CG C 13 31.789 0.300 . 1 . . . . 83 MET CG . 11215 1 943 . 1 1 83 83 MET N N 15 122.542 0.300 . 1 . . . . 83 MET N . 11215 1 944 . 1 1 84 84 LEU H H 1 7.936 0.030 . 1 . . . . 84 LEU H . 11215 1 945 . 1 1 84 84 LEU HA H 1 3.868 0.030 . 1 . . . . 84 LEU HA . 11215 1 946 . 1 1 84 84 LEU HB2 H 1 1.726 0.030 . 2 . . . . 84 LEU HB2 . 11215 1 947 . 1 1 84 84 LEU HB3 H 1 1.551 0.030 . 2 . . . . 84 LEU HB3 . 11215 1 948 . 1 1 84 84 LEU HD11 H 1 0.834 0.030 . 1 . . . . 84 LEU HD1 . 11215 1 949 . 1 1 84 84 LEU HD12 H 1 0.834 0.030 . 1 . . . . 84 LEU HD1 . 11215 1 950 . 1 1 84 84 LEU HD13 H 1 0.834 0.030 . 1 . . . . 84 LEU HD1 . 11215 1 951 . 1 1 84 84 LEU HD21 H 1 0.834 0.030 . 1 . . . . 84 LEU HD2 . 11215 1 952 . 1 1 84 84 LEU HD22 H 1 0.834 0.030 . 1 . . . . 84 LEU HD2 . 11215 1 953 . 1 1 84 84 LEU HD23 H 1 0.834 0.030 . 1 . . . . 84 LEU HD2 . 11215 1 954 . 1 1 84 84 LEU HG H 1 1.684 0.030 . 1 . . . . 84 LEU HG . 11215 1 955 . 1 1 84 84 LEU C C 13 177.887 0.300 . 1 . . . . 84 LEU C . 11215 1 956 . 1 1 84 84 LEU CA C 13 58.411 0.300 . 1 . . . . 84 LEU CA . 11215 1 957 . 1 1 84 84 LEU CB C 13 41.653 0.300 . 1 . . . . 84 LEU CB . 11215 1 958 . 1 1 84 84 LEU CD1 C 13 24.745 0.300 . 2 . . . . 84 LEU CD1 . 11215 1 959 . 1 1 84 84 LEU CD2 C 13 24.780 0.300 . 2 . . . . 84 LEU CD2 . 11215 1 960 . 1 1 84 84 LEU CG C 13 26.786 0.300 . 1 . . . . 84 LEU CG . 11215 1 961 . 1 1 84 84 LEU N N 15 117.673 0.300 . 1 . . . . 84 LEU N . 11215 1 962 . 1 1 85 85 LYS H H 1 7.659 0.030 . 1 . . . . 85 LYS H . 11215 1 963 . 1 1 85 85 LYS HA H 1 3.937 0.030 . 1 . . . . 85 LYS HA . 11215 1 964 . 1 1 85 85 LYS HB2 H 1 1.921 0.030 . 1 . . . . 85 LYS HB2 . 11215 1 965 . 1 1 85 85 LYS HB3 H 1 1.921 0.030 . 1 . . . . 85 LYS HB3 . 11215 1 966 . 1 1 85 85 LYS HD2 H 1 1.695 0.030 . 1 . . . . 85 LYS HD2 . 11215 1 967 . 1 1 85 85 LYS HD3 H 1 1.695 0.030 . 1 . . . . 85 LYS HD3 . 11215 1 968 . 1 1 85 85 LYS HE2 H 1 2.983 0.030 . 1 . . . . 85 LYS HE2 . 11215 1 969 . 1 1 85 85 LYS HE3 H 1 2.983 0.030 . 1 . . . . 85 LYS HE3 . 11215 1 970 . 1 1 85 85 LYS HG2 H 1 1.433 0.030 . 2 . . . . 85 LYS HG2 . 11215 1 971 . 1 1 85 85 LYS HG3 H 1 1.559 0.030 . 2 . . . . 85 LYS HG3 . 11215 1 972 . 1 1 85 85 LYS C C 13 179.460 0.300 . 1 . . . . 85 LYS C . 11215 1 973 . 1 1 85 85 LYS CA C 13 59.618 0.300 . 1 . . . . 85 LYS CA . 11215 1 974 . 1 1 85 85 LYS CB C 13 32.076 0.300 . 1 . . . . 85 LYS CB . 11215 1 975 . 1 1 85 85 LYS CD C 13 29.337 0.300 . 1 . . . . 85 LYS CD . 11215 1 976 . 1 1 85 85 LYS CE C 13 42.055 0.300 . 1 . . . . 85 LYS CE . 11215 1 977 . 1 1 85 85 LYS CG C 13 24.884 0.300 . 1 . . . . 85 LYS CG . 11215 1 978 . 1 1 85 85 LYS N N 15 117.536 0.300 . 1 . . . . 85 LYS N . 11215 1 979 . 1 1 86 86 ASP H H 1 7.721 0.030 . 1 . . . . 86 ASP H . 11215 1 980 . 1 1 86 86 ASP HA H 1 4.420 0.030 . 1 . . . . 86 ASP HA . 11215 1 981 . 1 1 86 86 ASP HB2 H 1 2.740 0.030 . 1 . . . . 86 ASP HB2 . 11215 1 982 . 1 1 86 86 ASP HB3 H 1 2.740 0.030 . 1 . . . . 86 ASP HB3 . 11215 1 983 . 1 1 86 86 ASP C C 13 180.127 0.300 . 1 . . . . 86 ASP C . 11215 1 984 . 1 1 86 86 ASP CA C 13 57.283 0.300 . 1 . . . . 86 ASP CA . 11215 1 985 . 1 1 86 86 ASP CB C 13 40.656 0.300 . 1 . . . . 86 ASP CB . 11215 1 986 . 1 1 86 86 ASP N N 15 119.339 0.300 . 1 . . . . 86 ASP N . 11215 1 987 . 1 1 87 87 PHE H H 1 8.783 0.030 . 1 . . . . 87 PHE H . 11215 1 988 . 1 1 87 87 PHE HA H 1 4.603 0.030 . 1 . . . . 87 PHE HA . 11215 1 989 . 1 1 87 87 PHE HB2 H 1 3.309 0.030 . 2 . . . . 87 PHE HB2 . 11215 1 990 . 1 1 87 87 PHE HB3 H 1 2.982 0.030 . 2 . . . . 87 PHE HB3 . 11215 1 991 . 1 1 87 87 PHE HD1 H 1 7.086 0.030 . 1 . . . . 87 PHE HD1 . 11215 1 992 . 1 1 87 87 PHE HD2 H 1 7.086 0.030 . 1 . . . . 87 PHE HD2 . 11215 1 993 . 1 1 87 87 PHE HE1 H 1 7.391 0.030 . 1 . . . . 87 PHE HE1 . 11215 1 994 . 1 1 87 87 PHE HE2 H 1 7.391 0.030 . 1 . . . . 87 PHE HE2 . 11215 1 995 . 1 1 87 87 PHE HZ H 1 7.272 0.030 . 1 . . . . 87 PHE HZ . 11215 1 996 . 1 1 87 87 PHE C C 13 179.110 0.300 . 1 . . . . 87 PHE C . 11215 1 997 . 1 1 87 87 PHE CA C 13 58.142 0.300 . 1 . . . . 87 PHE CA . 11215 1 998 . 1 1 87 87 PHE CB C 13 36.900 0.300 . 1 . . . . 87 PHE CB . 11215 1 999 . 1 1 87 87 PHE CD1 C 13 129.605 0.300 . 1 . . . . 87 PHE CD1 . 11215 1 1000 . 1 1 87 87 PHE CD2 C 13 129.605 0.300 . 1 . . . . 87 PHE CD2 . 11215 1 1001 . 1 1 87 87 PHE CE1 C 13 131.396 0.300 . 1 . . . . 87 PHE CE1 . 11215 1 1002 . 1 1 87 87 PHE CE2 C 13 131.396 0.300 . 1 . . . . 87 PHE CE2 . 11215 1 1003 . 1 1 87 87 PHE CZ C 13 129.262 0.300 . 1 . . . . 87 PHE CZ . 11215 1 1004 . 1 1 87 87 PHE N N 15 119.434 0.300 . 1 . . . . 87 PHE N . 11215 1 1005 . 1 1 88 88 LEU H H 1 8.322 0.030 . 1 . . . . 88 LEU H . 11215 1 1006 . 1 1 88 88 LEU HA H 1 4.350 0.030 . 1 . . . . 88 LEU HA . 11215 1 1007 . 1 1 88 88 LEU HB2 H 1 1.912 0.030 . 2 . . . . 88 LEU HB2 . 11215 1 1008 . 1 1 88 88 LEU HB3 H 1 1.829 0.030 . 2 . . . . 88 LEU HB3 . 11215 1 1009 . 1 1 88 88 LEU HD11 H 1 0.817 0.030 . 1 . . . . 88 LEU HD1 . 11215 1 1010 . 1 1 88 88 LEU HD12 H 1 0.817 0.030 . 1 . . . . 88 LEU HD1 . 11215 1 1011 . 1 1 88 88 LEU HD13 H 1 0.817 0.030 . 1 . . . . 88 LEU HD1 . 11215 1 1012 . 1 1 88 88 LEU HD21 H 1 0.679 0.030 . 1 . . . . 88 LEU HD2 . 11215 1 1013 . 1 1 88 88 LEU HD22 H 1 0.679 0.030 . 1 . . . . 88 LEU HD2 . 11215 1 1014 . 1 1 88 88 LEU HD23 H 1 0.679 0.030 . 1 . . . . 88 LEU HD2 . 11215 1 1015 . 1 1 88 88 LEU HG H 1 1.832 0.030 . 1 . . . . 88 LEU HG . 11215 1 1016 . 1 1 88 88 LEU C C 13 176.784 0.300 . 1 . . . . 88 LEU C . 11215 1 1017 . 1 1 88 88 LEU CA C 13 57.129 0.300 . 1 . . . . 88 LEU CA . 11215 1 1018 . 1 1 88 88 LEU CB C 13 40.751 0.300 . 1 . . . . 88 LEU CB . 11215 1 1019 . 1 1 88 88 LEU CD1 C 13 24.707 0.300 . 2 . . . . 88 LEU CD1 . 11215 1 1020 . 1 1 88 88 LEU CD2 C 13 23.102 0.300 . 2 . . . . 88 LEU CD2 . 11215 1 1021 . 1 1 88 88 LEU CG C 13 28.326 0.300 . 1 . . . . 88 LEU CG . 11215 1 1022 . 1 1 88 88 LEU N N 15 117.401 0.300 . 1 . . . . 88 LEU N . 11215 1 1023 . 1 1 89 89 SER H H 1 7.782 0.030 . 1 . . . . 89 SER H . 11215 1 1024 . 1 1 89 89 SER HA H 1 4.707 0.030 . 1 . . . . 89 SER HA . 11215 1 1025 . 1 1 89 89 SER HB2 H 1 4.171 0.030 . 2 . . . . 89 SER HB2 . 11215 1 1026 . 1 1 89 89 SER HB3 H 1 4.064 0.030 . 2 . . . . 89 SER HB3 . 11215 1 1027 . 1 1 89 89 SER C C 13 174.948 0.300 . 1 . . . . 89 SER C . 11215 1 1028 . 1 1 89 89 SER CA C 13 58.743 0.300 . 1 . . . . 89 SER CA . 11215 1 1029 . 1 1 89 89 SER CB C 13 64.533 0.300 . 1 . . . . 89 SER CB . 11215 1 1030 . 1 1 89 89 SER N N 15 112.590 0.300 . 1 . . . . 89 SER N . 11215 1 1031 . 1 1 90 90 GLN H H 1 7.499 0.030 . 1 . . . . 90 GLN H . 11215 1 1032 . 1 1 90 90 GLN HA H 1 4.647 0.030 . 1 . . . . 90 GLN HA . 11215 1 1033 . 1 1 90 90 GLN HB2 H 1 2.436 0.030 . 2 . . . . 90 GLN HB2 . 11215 1 1034 . 1 1 90 90 GLN HB3 H 1 2.605 0.030 . 2 . . . . 90 GLN HB3 . 11215 1 1035 . 1 1 90 90 GLN HE21 H 1 6.827 0.030 . 2 . . . . 90 GLN HE21 . 11215 1 1036 . 1 1 90 90 GLN HE22 H 1 7.533 0.030 . 2 . . . . 90 GLN HE22 . 11215 1 1037 . 1 1 90 90 GLN HG2 H 1 2.882 0.030 . 1 . . . . 90 GLN HG2 . 11215 1 1038 . 1 1 90 90 GLN HG3 H 1 2.882 0.030 . 1 . . . . 90 GLN HG3 . 11215 1 1039 . 1 1 90 90 GLN C C 13 176.557 0.300 . 1 . . . . 90 GLN C . 11215 1 1040 . 1 1 90 90 GLN CA C 13 54.632 0.300 . 1 . . . . 90 GLN CA . 11215 1 1041 . 1 1 90 90 GLN CB C 13 28.243 0.300 . 1 . . . . 90 GLN CB . 11215 1 1042 . 1 1 90 90 GLN CG C 13 33.772 0.300 . 1 . . . . 90 GLN CG . 11215 1 1043 . 1 1 90 90 GLN N N 15 122.417 0.300 . 1 . . . . 90 GLN N . 11215 1 1044 . 1 1 90 90 GLN NE2 N 15 112.841 0.300 . 1 . . . . 90 GLN NE2 . 11215 1 1045 . 1 1 91 91 PRO HA H 1 4.408 0.030 . 1 . . . . 91 PRO HA . 11215 1 1046 . 1 1 91 91 PRO HB2 H 1 2.283 0.030 . 2 . . . . 91 PRO HB2 . 11215 1 1047 . 1 1 91 91 PRO HB3 H 1 2.253 0.030 . 2 . . . . 91 PRO HB3 . 11215 1 1048 . 1 1 91 91 PRO HD2 H 1 3.973 0.030 . 2 . . . . 91 PRO HD2 . 11215 1 1049 . 1 1 91 91 PRO HD3 H 1 3.845 0.030 . 2 . . . . 91 PRO HD3 . 11215 1 1050 . 1 1 91 91 PRO HG2 H 1 2.099 0.030 . 1 . . . . 91 PRO HG2 . 11215 1 1051 . 1 1 91 91 PRO HG3 H 1 2.099 0.030 . 1 . . . . 91 PRO HG3 . 11215 1 1052 . 1 1 91 91 PRO C C 13 174.606 0.300 . 1 . . . . 91 PRO C . 11215 1 1053 . 1 1 91 91 PRO CA C 13 65.097 0.300 . 1 . . . . 91 PRO CA . 11215 1 1054 . 1 1 91 91 PRO CB C 13 32.156 0.300 . 1 . . . . 91 PRO CB . 11215 1 1055 . 1 1 91 91 PRO CD C 13 50.946 0.300 . 1 . . . . 91 PRO CD . 11215 1 1056 . 1 1 91 91 PRO CG C 13 27.092 0.300 . 1 . . . . 91 PRO CG . 11215 1 1057 . 1 1 92 92 SER H H 1 7.223 0.030 . 1 . . . . 92 SER H . 11215 1 1058 . 1 1 92 92 SER HA H 1 5.246 0.030 . 1 . . . . 92 SER HA . 11215 1 1059 . 1 1 92 92 SER HB2 H 1 3.874 0.030 . 2 . . . . 92 SER HB2 . 11215 1 1060 . 1 1 92 92 SER HB3 H 1 3.779 0.030 . 2 . . . . 92 SER HB3 . 11215 1 1061 . 1 1 92 92 SER C C 13 172.910 0.300 . 1 . . . . 92 SER C . 11215 1 1062 . 1 1 92 92 SER CA C 13 57.621 0.300 . 1 . . . . 92 SER CA . 11215 1 1063 . 1 1 92 92 SER CB C 13 65.587 0.300 . 1 . . . . 92 SER CB . 11215 1 1064 . 1 1 92 92 SER N N 15 112.571 0.300 . 1 . . . . 92 SER N . 11215 1 1065 . 1 1 93 93 LEU H H 1 8.842 0.030 . 1 . . . . 93 LEU H . 11215 1 1066 . 1 1 93 93 LEU HA H 1 4.590 0.030 . 1 . . . . 93 LEU HA . 11215 1 1067 . 1 1 93 93 LEU HB2 H 1 1.143 0.030 . 2 . . . . 93 LEU HB2 . 11215 1 1068 . 1 1 93 93 LEU HB3 H 1 1.076 0.030 . 2 . . . . 93 LEU HB3 . 11215 1 1069 . 1 1 93 93 LEU HD11 H 1 0.385 0.030 . 1 . . . . 93 LEU HD1 . 11215 1 1070 . 1 1 93 93 LEU HD12 H 1 0.385 0.030 . 1 . . . . 93 LEU HD1 . 11215 1 1071 . 1 1 93 93 LEU HD13 H 1 0.385 0.030 . 1 . . . . 93 LEU HD1 . 11215 1 1072 . 1 1 93 93 LEU HD21 H 1 0.607 0.030 . 1 . . . . 93 LEU HD2 . 11215 1 1073 . 1 1 93 93 LEU HD22 H 1 0.607 0.030 . 1 . . . . 93 LEU HD2 . 11215 1 1074 . 1 1 93 93 LEU HD23 H 1 0.607 0.030 . 1 . . . . 93 LEU HD2 . 11215 1 1075 . 1 1 93 93 LEU HG H 1 1.094 0.030 . 1 . . . . 93 LEU HG . 11215 1 1076 . 1 1 93 93 LEU C C 13 173.851 0.300 . 1 . . . . 93 LEU C . 11215 1 1077 . 1 1 93 93 LEU CA C 13 54.594 0.300 . 1 . . . . 93 LEU CA . 11215 1 1078 . 1 1 93 93 LEU CB C 13 46.525 0.300 . 1 . . . . 93 LEU CB . 11215 1 1079 . 1 1 93 93 LEU CD1 C 13 25.803 0.300 . 2 . . . . 93 LEU CD1 . 11215 1 1080 . 1 1 93 93 LEU CD2 C 13 24.653 0.300 . 2 . . . . 93 LEU CD2 . 11215 1 1081 . 1 1 93 93 LEU CG C 13 26.613 0.300 . 1 . . . . 93 LEU CG . 11215 1 1082 . 1 1 93 93 LEU N N 15 124.642 0.300 . 1 . . . . 93 LEU N . 11215 1 1083 . 1 1 94 94 GLY H H 1 8.420 0.030 . 1 . . . . 94 GLY H . 11215 1 1084 . 1 1 94 94 GLY HA2 H 1 4.896 0.030 . 2 . . . . 94 GLY HA2 . 11215 1 1085 . 1 1 94 94 GLY HA3 H 1 3.544 0.030 . 2 . . . . 94 GLY HA3 . 11215 1 1086 . 1 1 94 94 GLY C C 13 172.969 0.300 . 1 . . . . 94 GLY C . 11215 1 1087 . 1 1 94 94 GLY CA C 13 44.642 0.300 . 1 . . . . 94 GLY CA . 11215 1 1088 . 1 1 94 94 GLY N N 15 112.915 0.300 . 1 . . . . 94 GLY N . 11215 1 1089 . 1 1 95 95 LEU H H 1 9.054 0.030 . 1 . . . . 95 LEU H . 11215 1 1090 . 1 1 95 95 LEU HA H 1 5.097 0.030 . 1 . . . . 95 LEU HA . 11215 1 1091 . 1 1 95 95 LEU HB2 H 1 1.643 0.030 . 2 . . . . 95 LEU HB2 . 11215 1 1092 . 1 1 95 95 LEU HB3 H 1 1.159 0.030 . 2 . . . . 95 LEU HB3 . 11215 1 1093 . 1 1 95 95 LEU HD11 H 1 0.425 0.030 . 1 . . . . 95 LEU HD1 . 11215 1 1094 . 1 1 95 95 LEU HD12 H 1 0.425 0.030 . 1 . . . . 95 LEU HD1 . 11215 1 1095 . 1 1 95 95 LEU HD13 H 1 0.425 0.030 . 1 . . . . 95 LEU HD1 . 11215 1 1096 . 1 1 95 95 LEU HD21 H 1 0.759 0.030 . 1 . . . . 95 LEU HD2 . 11215 1 1097 . 1 1 95 95 LEU HD22 H 1 0.759 0.030 . 1 . . . . 95 LEU HD2 . 11215 1 1098 . 1 1 95 95 LEU HD23 H 1 0.759 0.030 . 1 . . . . 95 LEU HD2 . 11215 1 1099 . 1 1 95 95 LEU HG H 1 1.351 0.030 . 1 . . . . 95 LEU HG . 11215 1 1100 . 1 1 95 95 LEU C C 13 175.440 0.300 . 1 . . . . 95 LEU C . 11215 1 1101 . 1 1 95 95 LEU CA C 13 53.289 0.300 . 1 . . . . 95 LEU CA . 11215 1 1102 . 1 1 95 95 LEU CB C 13 46.294 0.300 . 1 . . . . 95 LEU CB . 11215 1 1103 . 1 1 95 95 LEU CD1 C 13 26.281 0.300 . 2 . . . . 95 LEU CD1 . 11215 1 1104 . 1 1 95 95 LEU CD2 C 13 24.701 0.300 . 2 . . . . 95 LEU CD2 . 11215 1 1105 . 1 1 95 95 LEU CG C 13 26.581 0.300 . 1 . . . . 95 LEU CG . 11215 1 1106 . 1 1 95 95 LEU N N 15 123.178 0.300 . 1 . . . . 95 LEU N . 11215 1 1107 . 1 1 96 96 LEU H H 1 8.374 0.030 . 1 . . . . 96 LEU H . 11215 1 1108 . 1 1 96 96 LEU HA H 1 5.081 0.030 . 1 . . . . 96 LEU HA . 11215 1 1109 . 1 1 96 96 LEU HB2 H 1 1.738 0.030 . 2 . . . . 96 LEU HB2 . 11215 1 1110 . 1 1 96 96 LEU HB3 H 1 1.342 0.030 . 2 . . . . 96 LEU HB3 . 11215 1 1111 . 1 1 96 96 LEU HD11 H 1 0.763 0.030 . 1 . . . . 96 LEU HD1 . 11215 1 1112 . 1 1 96 96 LEU HD12 H 1 0.763 0.030 . 1 . . . . 96 LEU HD1 . 11215 1 1113 . 1 1 96 96 LEU HD13 H 1 0.763 0.030 . 1 . . . . 96 LEU HD1 . 11215 1 1114 . 1 1 96 96 LEU HD21 H 1 0.798 0.030 . 1 . . . . 96 LEU HD2 . 11215 1 1115 . 1 1 96 96 LEU HD22 H 1 0.798 0.030 . 1 . . . . 96 LEU HD2 . 11215 1 1116 . 1 1 96 96 LEU HD23 H 1 0.798 0.030 . 1 . . . . 96 LEU HD2 . 11215 1 1117 . 1 1 96 96 LEU HG H 1 1.249 0.030 . 1 . . . . 96 LEU HG . 11215 1 1118 . 1 1 96 96 LEU C C 13 175.870 0.300 . 1 . . . . 96 LEU C . 11215 1 1119 . 1 1 96 96 LEU CA C 13 54.570 0.300 . 1 . . . . 96 LEU CA . 11215 1 1120 . 1 1 96 96 LEU CB C 13 44.667 0.300 . 1 . . . . 96 LEU CB . 11215 1 1121 . 1 1 96 96 LEU CD1 C 13 25.515 0.300 . 2 . . . . 96 LEU CD1 . 11215 1 1122 . 1 1 96 96 LEU CD2 C 13 23.093 0.300 . 2 . . . . 96 LEU CD2 . 11215 1 1123 . 1 1 96 96 LEU CG C 13 27.440 0.300 . 1 . . . . 96 LEU CG . 11215 1 1124 . 1 1 96 96 LEU N N 15 125.674 0.300 . 1 . . . . 96 LEU N . 11215 1 1125 . 1 1 97 97 VAL H H 1 9.133 0.030 . 1 . . . . 97 VAL H . 11215 1 1126 . 1 1 97 97 VAL HA H 1 5.243 0.030 . 1 . . . . 97 VAL HA . 11215 1 1127 . 1 1 97 97 VAL HB H 1 1.945 0.030 . 1 . . . . 97 VAL HB . 11215 1 1128 . 1 1 97 97 VAL HG11 H 1 0.733 0.030 . 1 . . . . 97 VAL HG1 . 11215 1 1129 . 1 1 97 97 VAL HG12 H 1 0.733 0.030 . 1 . . . . 97 VAL HG1 . 11215 1 1130 . 1 1 97 97 VAL HG13 H 1 0.733 0.030 . 1 . . . . 97 VAL HG1 . 11215 1 1131 . 1 1 97 97 VAL HG21 H 1 0.758 0.030 . 1 . . . . 97 VAL HG2 . 11215 1 1132 . 1 1 97 97 VAL HG22 H 1 0.758 0.030 . 1 . . . . 97 VAL HG2 . 11215 1 1133 . 1 1 97 97 VAL HG23 H 1 0.758 0.030 . 1 . . . . 97 VAL HG2 . 11215 1 1134 . 1 1 97 97 VAL C C 13 174.089 0.300 . 1 . . . . 97 VAL C . 11215 1 1135 . 1 1 97 97 VAL CA C 13 59.456 0.300 . 1 . . . . 97 VAL CA . 11215 1 1136 . 1 1 97 97 VAL CB C 13 35.363 0.300 . 1 . . . . 97 VAL CB . 11215 1 1137 . 1 1 97 97 VAL CG1 C 13 20.267 0.300 . 2 . . . . 97 VAL CG1 . 11215 1 1138 . 1 1 97 97 VAL CG2 C 13 21.636 0.300 . 2 . . . . 97 VAL CG2 . 11215 1 1139 . 1 1 97 97 VAL N N 15 123.868 0.300 . 1 . . . . 97 VAL N . 11215 1 1140 . 1 1 98 98 ARG H H 1 9.159 0.030 . 1 . . . . 98 ARG H . 11215 1 1141 . 1 1 98 98 ARG HA H 1 5.146 0.030 . 1 . . . . 98 ARG HA . 11215 1 1142 . 1 1 98 98 ARG HB2 H 1 1.838 0.030 . 2 . . . . 98 ARG HB2 . 11215 1 1143 . 1 1 98 98 ARG HB3 H 1 1.520 0.030 . 2 . . . . 98 ARG HB3 . 11215 1 1144 . 1 1 98 98 ARG HD2 H 1 3.115 0.030 . 1 . . . . 98 ARG HD2 . 11215 1 1145 . 1 1 98 98 ARG HD3 H 1 3.115 0.030 . 1 . . . . 98 ARG HD3 . 11215 1 1146 . 1 1 98 98 ARG HG2 H 1 1.497 0.030 . 2 . . . . 98 ARG HG2 . 11215 1 1147 . 1 1 98 98 ARG HG3 H 1 1.450 0.030 . 2 . . . . 98 ARG HG3 . 11215 1 1148 . 1 1 98 98 ARG C C 13 175.218 0.300 . 1 . . . . 98 ARG C . 11215 1 1149 . 1 1 98 98 ARG CA C 13 54.903 0.300 . 1 . . . . 98 ARG CA . 11215 1 1150 . 1 1 98 98 ARG CB C 13 32.581 0.300 . 1 . . . . 98 ARG CB . 11215 1 1151 . 1 1 98 98 ARG CD C 13 43.701 0.300 . 1 . . . . 98 ARG CD . 11215 1 1152 . 1 1 98 98 ARG CG C 13 27.228 0.300 . 1 . . . . 98 ARG CG . 11215 1 1153 . 1 1 98 98 ARG N N 15 124.167 0.300 . 1 . . . . 98 ARG N . 11215 1 1154 . 1 1 99 99 THR H H 1 8.777 0.030 . 1 . . . . 99 THR H . 11215 1 1155 . 1 1 99 99 THR HA H 1 4.711 0.030 . 1 . . . . 99 THR HA . 11215 1 1156 . 1 1 99 99 THR HB H 1 3.749 0.030 . 1 . . . . 99 THR HB . 11215 1 1157 . 1 1 99 99 THR HG21 H 1 0.934 0.030 . 1 . . . . 99 THR HG2 . 11215 1 1158 . 1 1 99 99 THR HG22 H 1 0.934 0.030 . 1 . . . . 99 THR HG2 . 11215 1 1159 . 1 1 99 99 THR HG23 H 1 0.934 0.030 . 1 . . . . 99 THR HG2 . 11215 1 1160 . 1 1 99 99 THR C C 13 172.722 0.300 . 1 . . . . 99 THR C . 11215 1 1161 . 1 1 99 99 THR CA C 13 59.706 0.300 . 1 . . . . 99 THR CA . 11215 1 1162 . 1 1 99 99 THR CB C 13 69.930 0.300 . 1 . . . . 99 THR CB . 11215 1 1163 . 1 1 99 99 THR CG2 C 13 19.145 0.300 . 1 . . . . 99 THR CG2 . 11215 1 1164 . 1 1 99 99 THR N N 15 121.393 0.300 . 1 . . . . 99 THR N . 11215 1 1165 . 1 1 100 100 TYR H H 1 8.338 0.030 . 1 . . . . 100 TYR H . 11215 1 1166 . 1 1 100 100 TYR HA H 1 4.968 0.030 . 1 . . . . 100 TYR HA . 11215 1 1167 . 1 1 100 100 TYR HB2 H 1 3.104 0.030 . 2 . . . . 100 TYR HB2 . 11215 1 1168 . 1 1 100 100 TYR HB3 H 1 2.826 0.030 . 2 . . . . 100 TYR HB3 . 11215 1 1169 . 1 1 100 100 TYR HD1 H 1 7.242 0.030 . 1 . . . . 100 TYR HD1 . 11215 1 1170 . 1 1 100 100 TYR HD2 H 1 7.242 0.030 . 1 . . . . 100 TYR HD2 . 11215 1 1171 . 1 1 100 100 TYR HE1 H 1 6.886 0.030 . 1 . . . . 100 TYR HE1 . 11215 1 1172 . 1 1 100 100 TYR HE2 H 1 6.886 0.030 . 1 . . . . 100 TYR HE2 . 11215 1 1173 . 1 1 100 100 TYR C C 13 174.240 0.300 . 1 . . . . 100 TYR C . 11215 1 1174 . 1 1 100 100 TYR CA C 13 56.001 0.300 . 1 . . . . 100 TYR CA . 11215 1 1175 . 1 1 100 100 TYR CB C 13 38.514 0.300 . 1 . . . . 100 TYR CB . 11215 1 1176 . 1 1 100 100 TYR CD1 C 13 133.420 0.300 . 1 . . . . 100 TYR CD1 . 11215 1 1177 . 1 1 100 100 TYR CD2 C 13 133.420 0.300 . 1 . . . . 100 TYR CD2 . 11215 1 1178 . 1 1 100 100 TYR CE1 C 13 118.181 0.300 . 1 . . . . 100 TYR CE1 . 11215 1 1179 . 1 1 100 100 TYR CE2 C 13 118.181 0.300 . 1 . . . . 100 TYR CE2 . 11215 1 1180 . 1 1 100 100 TYR N N 15 122.734 0.300 . 1 . . . . 100 TYR N . 11215 1 1181 . 1 1 101 101 PRO HA H 1 4.447 0.030 . 1 . . . . 101 PRO HA . 11215 1 1182 . 1 1 101 101 PRO HB2 H 1 2.225 0.030 . 2 . . . . 101 PRO HB2 . 11215 1 1183 . 1 1 101 101 PRO HB3 H 1 1.943 0.030 . 2 . . . . 101 PRO HB3 . 11215 1 1184 . 1 1 101 101 PRO HD2 H 1 3.848 0.030 . 2 . . . . 101 PRO HD2 . 11215 1 1185 . 1 1 101 101 PRO HD3 H 1 3.790 0.030 . 2 . . . . 101 PRO HD3 . 11215 1 1186 . 1 1 101 101 PRO HG2 H 1 2.022 0.030 . 1 . . . . 101 PRO HG2 . 11215 1 1187 . 1 1 101 101 PRO HG3 H 1 2.022 0.030 . 1 . . . . 101 PRO HG3 . 11215 1 1188 . 1 1 101 101 PRO C C 13 176.435 0.300 . 1 . . . . 101 PRO C . 11215 1 1189 . 1 1 101 101 PRO CA C 13 62.718 0.300 . 1 . . . . 101 PRO CA . 11215 1 1190 . 1 1 101 101 PRO CB C 13 32.121 0.300 . 1 . . . . 101 PRO CB . 11215 1 1191 . 1 1 101 101 PRO CD C 13 50.775 0.300 . 1 . . . . 101 PRO CD . 11215 1 1192 . 1 1 101 101 PRO CG C 13 27.243 0.300 . 1 . . . . 101 PRO CG . 11215 1 1193 . 1 1 102 102 GLU H H 1 8.492 0.030 . 1 . . . . 102 GLU H . 11215 1 1194 . 1 1 102 102 GLU HA H 1 4.282 0.030 . 1 . . . . 102 GLU HA . 11215 1 1195 . 1 1 102 102 GLU HB2 H 1 2.037 0.030 . 2 . . . . 102 GLU HB2 . 11215 1 1196 . 1 1 102 102 GLU HB3 H 1 1.924 0.030 . 2 . . . . 102 GLU HB3 . 11215 1 1197 . 1 1 102 102 GLU HG2 H 1 2.262 0.030 . 1 . . . . 102 GLU HG2 . 11215 1 1198 . 1 1 102 102 GLU HG3 H 1 2.262 0.030 . 1 . . . . 102 GLU HG3 . 11215 1 1199 . 1 1 102 102 GLU C C 13 176.380 0.300 . 1 . . . . 102 GLU C . 11215 1 1200 . 1 1 102 102 GLU CA C 13 56.282 0.300 . 1 . . . . 102 GLU CA . 11215 1 1201 . 1 1 102 102 GLU CB C 13 30.322 0.300 . 1 . . . . 102 GLU CB . 11215 1 1202 . 1 1 102 102 GLU CG C 13 36.306 0.300 . 1 . . . . 102 GLU CG . 11215 1 1203 . 1 1 102 102 GLU N N 15 121.094 0.300 . 1 . . . . 102 GLU N . 11215 1 1204 . 1 1 103 103 LEU H H 1 8.333 0.030 . 1 . . . . 103 LEU H . 11215 1 1205 . 1 1 103 103 LEU HA H 1 4.373 0.030 . 1 . . . . 103 LEU HA . 11215 1 1206 . 1 1 103 103 LEU HB2 H 1 1.643 0.030 . 2 . . . . 103 LEU HB2 . 11215 1 1207 . 1 1 103 103 LEU HB3 H 1 1.571 0.030 . 2 . . . . 103 LEU HB3 . 11215 1 1208 . 1 1 103 103 LEU HD11 H 1 0.919 0.030 . 1 . . . . 103 LEU HD1 . 11215 1 1209 . 1 1 103 103 LEU HD12 H 1 0.919 0.030 . 1 . . . . 103 LEU HD1 . 11215 1 1210 . 1 1 103 103 LEU HD13 H 1 0.919 0.030 . 1 . . . . 103 LEU HD1 . 11215 1 1211 . 1 1 103 103 LEU HD21 H 1 0.869 0.030 . 1 . . . . 103 LEU HD2 . 11215 1 1212 . 1 1 103 103 LEU HD22 H 1 0.869 0.030 . 1 . . . . 103 LEU HD2 . 11215 1 1213 . 1 1 103 103 LEU HD23 H 1 0.869 0.030 . 1 . . . . 103 LEU HD2 . 11215 1 1214 . 1 1 103 103 LEU HG H 1 1.629 0.030 . 1 . . . . 103 LEU HG . 11215 1 1215 . 1 1 103 103 LEU C C 13 177.200 0.300 . 1 . . . . 103 LEU C . 11215 1 1216 . 1 1 103 103 LEU CA C 13 54.935 0.300 . 1 . . . . 103 LEU CA . 11215 1 1217 . 1 1 103 103 LEU CB C 13 42.539 0.300 . 1 . . . . 103 LEU CB . 11215 1 1218 . 1 1 103 103 LEU CD1 C 13 24.921 0.300 . 2 . . . . 103 LEU CD1 . 11215 1 1219 . 1 1 103 103 LEU CD2 C 13 23.500 0.300 . 2 . . . . 103 LEU CD2 . 11215 1 1220 . 1 1 103 103 LEU CG C 13 26.945 0.300 . 1 . . . . 103 LEU CG . 11215 1 1221 . 1 1 103 103 LEU N N 15 124.065 0.300 . 1 . . . . 103 LEU N . 11215 1 1222 . 1 1 104 104 GLU H H 1 8.449 0.030 . 1 . . . . 104 GLU H . 11215 1 1223 . 1 1 104 104 GLU HA H 1 4.293 0.030 . 1 . . . . 104 GLU HA . 11215 1 1224 . 1 1 104 104 GLU HB2 H 1 2.043 0.030 . 2 . . . . 104 GLU HB2 . 11215 1 1225 . 1 1 104 104 GLU HB3 H 1 1.923 0.030 . 2 . . . . 104 GLU HB3 . 11215 1 1226 . 1 1 104 104 GLU HG2 H 1 2.261 0.030 . 1 . . . . 104 GLU HG2 . 11215 1 1227 . 1 1 104 104 GLU HG3 H 1 2.261 0.030 . 1 . . . . 104 GLU HG3 . 11215 1 1228 . 1 1 104 104 GLU C C 13 176.276 0.300 . 1 . . . . 104 GLU C . 11215 1 1229 . 1 1 104 104 GLU CA C 13 56.302 0.300 . 1 . . . . 104 GLU CA . 11215 1 1230 . 1 1 104 104 GLU CB C 13 30.371 0.300 . 1 . . . . 104 GLU CB . 11215 1 1231 . 1 1 104 104 GLU CG C 13 36.267 0.300 . 1 . . . . 104 GLU CG . 11215 1 1232 . 1 1 104 104 GLU N N 15 122.641 0.300 . 1 . . . . 104 GLU N . 11215 1 1233 . 1 1 105 105 GLU H H 1 8.493 0.030 . 1 . . . . 105 GLU H . 11215 1 1234 . 1 1 105 105 GLU HA H 1 4.275 0.030 . 1 . . . . 105 GLU HA . 11215 1 1235 . 1 1 105 105 GLU HB2 H 1 2.044 0.030 . 2 . . . . 105 GLU HB2 . 11215 1 1236 . 1 1 105 105 GLU HB3 H 1 1.960 0.030 . 2 . . . . 105 GLU HB3 . 11215 1 1237 . 1 1 105 105 GLU HG2 H 1 2.308 0.030 . 1 . . . . 105 GLU HG2 . 11215 1 1238 . 1 1 105 105 GLU HG3 H 1 2.308 0.030 . 1 . . . . 105 GLU HG3 . 11215 1 1239 . 1 1 105 105 GLU C C 13 177.053 0.300 . 1 . . . . 105 GLU C . 11215 1 1240 . 1 1 105 105 GLU CA C 13 56.730 0.300 . 1 . . . . 105 GLU CA . 11215 1 1241 . 1 1 105 105 GLU CB C 13 30.342 0.300 . 1 . . . . 105 GLU CB . 11215 1 1242 . 1 1 105 105 GLU CG C 13 36.273 0.300 . 1 . . . . 105 GLU CG . 11215 1 1243 . 1 1 105 105 GLU N N 15 122.723 0.300 . 1 . . . . 105 GLU N . 11215 1 1244 . 1 1 106 106 GLY H H 1 8.529 0.030 . 1 . . . . 106 GLY H . 11215 1 1245 . 1 1 106 106 GLY HA2 H 1 3.973 0.030 . 1 . . . . 106 GLY HA2 . 11215 1 1246 . 1 1 106 106 GLY HA3 H 1 3.973 0.030 . 1 . . . . 106 GLY HA3 . 11215 1 1247 . 1 1 106 106 GLY C C 13 174.157 0.300 . 1 . . . . 106 GLY C . 11215 1 1248 . 1 1 106 106 GLY CA C 13 45.398 0.300 . 1 . . . . 106 GLY CA . 11215 1 1249 . 1 1 106 106 GLY N N 15 110.568 0.300 . 1 . . . . 106 GLY N . 11215 1 1250 . 1 1 107 107 VAL H H 1 7.921 0.030 . 1 . . . . 107 VAL H . 11215 1 1251 . 1 1 107 107 VAL HA H 1 4.152 0.030 . 1 . . . . 107 VAL HA . 11215 1 1252 . 1 1 107 107 VAL HB H 1 2.092 0.030 . 1 . . . . 107 VAL HB . 11215 1 1253 . 1 1 107 107 VAL HG11 H 1 0.934 0.030 . 1 . . . . 107 VAL HG1 . 11215 1 1254 . 1 1 107 107 VAL HG12 H 1 0.934 0.030 . 1 . . . . 107 VAL HG1 . 11215 1 1255 . 1 1 107 107 VAL HG13 H 1 0.934 0.030 . 1 . . . . 107 VAL HG1 . 11215 1 1256 . 1 1 107 107 VAL HG21 H 1 0.909 0.030 . 1 . . . . 107 VAL HG2 . 11215 1 1257 . 1 1 107 107 VAL HG22 H 1 0.909 0.030 . 1 . . . . 107 VAL HG2 . 11215 1 1258 . 1 1 107 107 VAL HG23 H 1 0.909 0.030 . 1 . . . . 107 VAL HG2 . 11215 1 1259 . 1 1 107 107 VAL C C 13 176.310 0.300 . 1 . . . . 107 VAL C . 11215 1 1260 . 1 1 107 107 VAL CA C 13 62.142 0.300 . 1 . . . . 107 VAL CA . 11215 1 1261 . 1 1 107 107 VAL CB C 13 32.805 0.300 . 1 . . . . 107 VAL CB . 11215 1 1262 . 1 1 107 107 VAL CG1 C 13 21.129 0.300 . 2 . . . . 107 VAL CG1 . 11215 1 1263 . 1 1 107 107 VAL CG2 C 13 20.440 0.300 . 2 . . . . 107 VAL CG2 . 11215 1 1264 . 1 1 107 107 VAL N N 15 119.044 0.300 . 1 . . . . 107 VAL N . 11215 1 1265 . 1 1 108 108 GLU H H 1 8.594 0.030 . 1 . . . . 108 GLU H . 11215 1 1266 . 1 1 108 108 GLU HA H 1 4.352 0.030 . 1 . . . . 108 GLU HA . 11215 1 1267 . 1 1 108 108 GLU HB2 H 1 2.068 0.030 . 2 . . . . 108 GLU HB2 . 11215 1 1268 . 1 1 108 108 GLU HB3 H 1 1.956 0.030 . 2 . . . . 108 GLU HB3 . 11215 1 1269 . 1 1 108 108 GLU HG2 H 1 2.272 0.030 . 2 . . . . 108 GLU HG2 . 11215 1 1270 . 1 1 108 108 GLU HG3 H 1 2.236 0.030 . 2 . . . . 108 GLU HG3 . 11215 1 1271 . 1 1 108 108 GLU C C 13 176.428 0.300 . 1 . . . . 108 GLU C . 11215 1 1272 . 1 1 108 108 GLU CA C 13 56.507 0.300 . 1 . . . . 108 GLU CA . 11215 1 1273 . 1 1 108 108 GLU CB C 13 30.153 0.300 . 1 . . . . 108 GLU CB . 11215 1 1274 . 1 1 108 108 GLU CG C 13 36.180 0.300 . 1 . . . . 108 GLU CG . 11215 1 1275 . 1 1 108 108 GLU N N 15 124.771 0.300 . 1 . . . . 108 GLU N . 11215 1 1276 . 1 1 109 109 SER H H 1 8.391 0.030 . 1 . . . . 109 SER H . 11215 1 1277 . 1 1 109 109 SER HA H 1 4.485 0.030 . 1 . . . . 109 SER HA . 11215 1 1278 . 1 1 109 109 SER HB2 H 1 3.876 0.030 . 1 . . . . 109 SER HB2 . 11215 1 1279 . 1 1 109 109 SER HB3 H 1 3.876 0.030 . 1 . . . . 109 SER HB3 . 11215 1 1280 . 1 1 109 109 SER C C 13 174.608 0.300 . 1 . . . . 109 SER C . 11215 1 1281 . 1 1 109 109 SER CA C 13 58.258 0.300 . 1 . . . . 109 SER CA . 11215 1 1282 . 1 1 109 109 SER CB C 13 63.964 0.300 . 1 . . . . 109 SER CB . 11215 1 1283 . 1 1 109 109 SER N N 15 117.454 0.300 . 1 . . . . 109 SER N . 11215 1 1284 . 1 1 110 110 GLY H H 1 8.285 0.030 . 1 . . . . 110 GLY H . 11215 1 1285 . 1 1 110 110 GLY HA2 H 1 4.074 0.030 . 2 . . . . 110 GLY HA2 . 11215 1 1286 . 1 1 110 110 GLY HA3 H 1 4.190 0.030 . 2 . . . . 110 GLY HA3 . 11215 1 1287 . 1 1 110 110 GLY C C 13 171.818 0.300 . 1 . . . . 110 GLY C . 11215 1 1288 . 1 1 110 110 GLY CA C 13 44.653 0.300 . 1 . . . . 110 GLY CA . 11215 1 1289 . 1 1 110 110 GLY N N 15 110.829 0.300 . 1 . . . . 110 GLY N . 11215 1 1290 . 1 1 111 111 PRO HA H 1 4.409 0.030 . 1 . . . . 111 PRO HA . 11215 1 1291 . 1 1 111 111 PRO HB2 H 1 2.316 0.030 . 2 . . . . 111 PRO HB2 . 11215 1 1292 . 1 1 111 111 PRO HB3 H 1 1.981 0.030 . 2 . . . . 111 PRO HB3 . 11215 1 1293 . 1 1 111 111 PRO HD2 H 1 3.633 0.030 . 1 . . . . 111 PRO HD2 . 11215 1 1294 . 1 1 111 111 PRO HD3 H 1 3.633 0.030 . 1 . . . . 111 PRO HD3 . 11215 1 1295 . 1 1 111 111 PRO HG2 H 1 2.021 0.030 . 1 . . . . 111 PRO HG2 . 11215 1 1296 . 1 1 111 111 PRO HG3 H 1 2.021 0.030 . 1 . . . . 111 PRO HG3 . 11215 1 1297 . 1 1 111 111 PRO C C 13 177.411 0.300 . 1 . . . . 111 PRO C . 11215 1 1298 . 1 1 111 111 PRO CA C 13 63.472 0.300 . 1 . . . . 111 PRO CA . 11215 1 1299 . 1 1 111 111 PRO CB C 13 32.232 0.300 . 1 . . . . 111 PRO CB . 11215 1 1300 . 1 1 111 111 PRO CD C 13 49.775 0.300 . 1 . . . . 111 PRO CD . 11215 1 1301 . 1 1 111 111 PRO CG C 13 27.224 0.300 . 1 . . . . 111 PRO CG . 11215 1 1302 . 1 1 112 112 SER H H 1 8.529 0.030 . 1 . . . . 112 SER H . 11215 1 1303 . 1 1 112 112 SER HA H 1 4.504 0.030 . 1 . . . . 112 SER HA . 11215 1 1304 . 1 1 112 112 SER HB2 H 1 3.975 0.030 . 2 . . . . 112 SER HB2 . 11215 1 1305 . 1 1 112 112 SER HB3 H 1 3.901 0.030 . 2 . . . . 112 SER HB3 . 11215 1 1306 . 1 1 112 112 SER C C 13 174.714 0.300 . 1 . . . . 112 SER C . 11215 1 1307 . 1 1 112 112 SER CA C 13 58.329 0.300 . 1 . . . . 112 SER CA . 11215 1 1308 . 1 1 112 112 SER CB C 13 63.724 0.300 . 1 . . . . 112 SER CB . 11215 1 1309 . 1 1 112 112 SER N N 15 116.492 0.300 . 1 . . . . 112 SER N . 11215 1 1310 . 1 1 113 113 SER HA H 1 4.506 0.030 . 1 . . . . 113 SER HA . 11215 1 1311 . 1 1 113 113 SER HB2 H 1 3.905 0.030 . 1 . . . . 113 SER HB2 . 11215 1 1312 . 1 1 113 113 SER HB3 H 1 3.905 0.030 . 1 . . . . 113 SER HB3 . 11215 1 1313 . 1 1 113 113 SER C C 13 173.962 0.300 . 1 . . . . 113 SER C . 11215 1 1314 . 1 1 113 113 SER CA C 13 58.377 0.300 . 1 . . . . 113 SER CA . 11215 1 1315 . 1 1 113 113 SER CB C 13 64.107 0.300 . 1 . . . . 113 SER CB . 11215 1 1316 . 1 1 114 114 GLY H H 1 8.056 0.030 . 1 . . . . 114 GLY H . 11215 1 1317 . 1 1 114 114 GLY HA2 H 1 3.791 0.030 . 1 . . . . 114 GLY HA2 . 11215 1 1318 . 1 1 114 114 GLY HA3 H 1 3.791 0.030 . 1 . . . . 114 GLY HA3 . 11215 1 1319 . 1 1 114 114 GLY C C 13 178.996 0.300 . 1 . . . . 114 GLY C . 11215 1 1320 . 1 1 114 114 GLY CA C 13 46.109 0.300 . 1 . . . . 114 GLY CA . 11215 1 1321 . 1 1 114 114 GLY N N 15 116.888 0.300 . 1 . . . . 114 GLY N . 11215 1 stop_ save_