data_11145 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11145 _Entry.Title ; Solution structure of the CH domain from human EH domain binding protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 11145 2 T. Kigawa . . . 11145 3 S. Koshiba . . . 11145 4 M. Inoue . . . 11145 5 S. Yokoyama . . . 11145 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)' . 11145 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11145 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 520 11145 '15N chemical shifts' 114 11145 '1H chemical shifts' 809 11145 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-04-01 2010-03-31 original author . 11145 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D89 'BMRB Entry Tracking System' 11145 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11145 _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 CH domain from human EH domain binding protein 1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 11145 1 2 T. Kigawa . . . 11145 1 3 S. Koshiba . . . 11145 1 4 M. Inoue . . . 11145 1 5 S. Yokoyama . . . 11145 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11145 _Assembly.ID 1 _Assembly.Name 'EHBP1 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CH domain' 1 $entity_1 A . yes native no no . . . 11145 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 2d89 . . . . . . 11145 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11145 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CH 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 ; GSSGSSGPNASQSLLVWCKE VTKNYRGVKITNFTTSWRNG LSFCAILHHFRPDLIDYKSL NPQDIKENNKKAYDGFASIG ISRLLEPSDMVLLAIPDKLT VMTYLYQIRAHFSSGPSSG ; _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 119 _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 2D89 . "Solution Structure Of The Ch Domain From Human Eh Domain Binding Protein 1" . . . . . 100.00 119 100.00 100.00 6.49e-82 . . . . 11145 1 2 no DBJ BAA74926 . "KIAA0903 protein [Homo sapiens]" . . . . . 89.08 962 100.00 100.00 1.54e-66 . . . . 11145 1 3 no DBJ BAD32333 . "mKIAA0903 protein [Mus musculus]" . . . . . 89.08 1242 98.11 99.06 4.85e-65 . . . . 11145 1 4 no DBJ BAF85234 . "unnamed protein product [Homo sapiens]" . . . . . 89.08 1160 100.00 100.00 4.44e-66 . . . . 11145 1 5 no EMBL CAD38814 . "hypothetical protein [Homo sapiens]" . . . . . 89.08 1231 100.00 100.00 6.23e-66 . . . . 11145 1 6 no GB AAH67215 . "EHBP1 protein [Homo sapiens]" . . . . . 89.08 1160 100.00 100.00 4.44e-66 . . . . 11145 1 7 no GB AAI68392 . "EH domain binding protein 1 [synthetic construct]" . . . . . 89.08 1206 98.11 99.06 2.46e-65 . . . . 11145 1 8 no GB AAL24806 . "KIAA0903-like protein [Mus musculus]" . . . . . 89.08 1206 98.11 99.06 2.46e-65 . . . . 11145 1 9 no GB AAQ97141 . "NPF/calponin-like protein [Homo sapiens]" . . . . . 89.08 1231 100.00 100.00 6.23e-66 . . . . 11145 1 10 no GB AAS48537 . "EH domain binding protein 1 [Homo sapiens]" . . . . . 89.08 1196 100.00 100.00 4.62e-66 . . . . 11145 1 11 no REF NP_001136086 . "EH domain-binding protein 1 isoform 2 [Homo sapiens]" . . . . . 89.08 1196 100.00 100.00 4.62e-66 . . . . 11145 1 12 no REF NP_001136087 . "EH domain-binding protein 1 isoform 3 [Homo sapiens]" . . . . . 89.08 1160 100.00 100.00 4.44e-66 . . . . 11145 1 13 no REF NP_001136088 . "EH domain-binding protein 1 isoform 3 [Homo sapiens]" . . . . . 89.08 1160 100.00 100.00 4.44e-66 . . . . 11145 1 14 no REF NP_001239444 . "EH domain-binding protein 1 isoform 1 [Mus musculus]" . . . . . 89.08 1231 98.11 99.06 4.22e-65 . . . . 11145 1 15 no REF NP_001248495 . "EH domain-binding protein 1 [Macaca mulatta]" . . . . . 89.08 1231 100.00 100.00 6.36e-66 . . . . 11145 1 16 no SP Q69ZW3 . "RecName: Full=EH domain-binding protein 1" . . . . . 89.08 1231 98.11 99.06 4.22e-65 . . . . 11145 1 17 no SP Q8NDI1 . "RecName: Full=EH domain-binding protein 1" . . . . . 89.08 1231 100.00 100.00 6.23e-66 . . . . 11145 1 18 no TPG DAA24644 . "TPA: MICAL-like isoform 1 [Bos taurus]" . . . . . 89.08 1232 100.00 100.00 4.56e-66 . . . . 11145 1 19 no TPG DAA24645 . "TPA: MICAL-like isoform 2 [Bos taurus]" . . . . . 89.08 1197 100.00 100.00 2.94e-66 . . . . 11145 1 20 no TPG DAA24646 . "TPA: MICAL-like isoform 3 [Bos taurus]" . . . . . 89.08 1161 100.00 100.00 2.52e-66 . . . . 11145 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CH domain' . 11145 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 . 11145 1 2 . SER . 11145 1 3 . SER . 11145 1 4 . GLY . 11145 1 5 . SER . 11145 1 6 . SER . 11145 1 7 . GLY . 11145 1 8 . PRO . 11145 1 9 . ASN . 11145 1 10 . ALA . 11145 1 11 . SER . 11145 1 12 . GLN . 11145 1 13 . SER . 11145 1 14 . LEU . 11145 1 15 . LEU . 11145 1 16 . VAL . 11145 1 17 . TRP . 11145 1 18 . CYS . 11145 1 19 . LYS . 11145 1 20 . GLU . 11145 1 21 . VAL . 11145 1 22 . THR . 11145 1 23 . LYS . 11145 1 24 . ASN . 11145 1 25 . TYR . 11145 1 26 . ARG . 11145 1 27 . GLY . 11145 1 28 . VAL . 11145 1 29 . LYS . 11145 1 30 . ILE . 11145 1 31 . THR . 11145 1 32 . ASN . 11145 1 33 . PHE . 11145 1 34 . THR . 11145 1 35 . THR . 11145 1 36 . SER . 11145 1 37 . TRP . 11145 1 38 . ARG . 11145 1 39 . ASN . 11145 1 40 . GLY . 11145 1 41 . LEU . 11145 1 42 . SER . 11145 1 43 . PHE . 11145 1 44 . CYS . 11145 1 45 . ALA . 11145 1 46 . ILE . 11145 1 47 . LEU . 11145 1 48 . HIS . 11145 1 49 . HIS . 11145 1 50 . PHE . 11145 1 51 . ARG . 11145 1 52 . PRO . 11145 1 53 . ASP . 11145 1 54 . LEU . 11145 1 55 . ILE . 11145 1 56 . ASP . 11145 1 57 . TYR . 11145 1 58 . LYS . 11145 1 59 . SER . 11145 1 60 . LEU . 11145 1 61 . ASN . 11145 1 62 . PRO . 11145 1 63 . GLN . 11145 1 64 . ASP . 11145 1 65 . ILE . 11145 1 66 . LYS . 11145 1 67 . GLU . 11145 1 68 . ASN . 11145 1 69 . ASN . 11145 1 70 . LYS . 11145 1 71 . LYS . 11145 1 72 . ALA . 11145 1 73 . TYR . 11145 1 74 . ASP . 11145 1 75 . GLY . 11145 1 76 . PHE . 11145 1 77 . ALA . 11145 1 78 . SER . 11145 1 79 . ILE . 11145 1 80 . GLY . 11145 1 81 . ILE . 11145 1 82 . SER . 11145 1 83 . ARG . 11145 1 84 . LEU . 11145 1 85 . LEU . 11145 1 86 . GLU . 11145 1 87 . PRO . 11145 1 88 . SER . 11145 1 89 . ASP . 11145 1 90 . MET . 11145 1 91 . VAL . 11145 1 92 . LEU . 11145 1 93 . LEU . 11145 1 94 . ALA . 11145 1 95 . ILE . 11145 1 96 . PRO . 11145 1 97 . ASP . 11145 1 98 . LYS . 11145 1 99 . LEU . 11145 1 100 . THR . 11145 1 101 . VAL . 11145 1 102 . MET . 11145 1 103 . THR . 11145 1 104 . TYR . 11145 1 105 . LEU . 11145 1 106 . TYR . 11145 1 107 . GLN . 11145 1 108 . ILE . 11145 1 109 . ARG . 11145 1 110 . ALA . 11145 1 111 . HIS . 11145 1 112 . PHE . 11145 1 113 . SER . 11145 1 114 . SER . 11145 1 115 . GLY . 11145 1 116 . PRO . 11145 1 117 . SER . 11145 1 118 . SER . 11145 1 119 . GLY . 11145 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 11145 1 . SER 2 2 11145 1 . SER 3 3 11145 1 . GLY 4 4 11145 1 . SER 5 5 11145 1 . SER 6 6 11145 1 . GLY 7 7 11145 1 . PRO 8 8 11145 1 . ASN 9 9 11145 1 . ALA 10 10 11145 1 . SER 11 11 11145 1 . GLN 12 12 11145 1 . SER 13 13 11145 1 . LEU 14 14 11145 1 . LEU 15 15 11145 1 . VAL 16 16 11145 1 . TRP 17 17 11145 1 . CYS 18 18 11145 1 . LYS 19 19 11145 1 . GLU 20 20 11145 1 . VAL 21 21 11145 1 . THR 22 22 11145 1 . LYS 23 23 11145 1 . ASN 24 24 11145 1 . TYR 25 25 11145 1 . ARG 26 26 11145 1 . GLY 27 27 11145 1 . VAL 28 28 11145 1 . LYS 29 29 11145 1 . ILE 30 30 11145 1 . THR 31 31 11145 1 . ASN 32 32 11145 1 . PHE 33 33 11145 1 . THR 34 34 11145 1 . THR 35 35 11145 1 . SER 36 36 11145 1 . TRP 37 37 11145 1 . ARG 38 38 11145 1 . ASN 39 39 11145 1 . GLY 40 40 11145 1 . LEU 41 41 11145 1 . SER 42 42 11145 1 . PHE 43 43 11145 1 . CYS 44 44 11145 1 . ALA 45 45 11145 1 . ILE 46 46 11145 1 . LEU 47 47 11145 1 . HIS 48 48 11145 1 . HIS 49 49 11145 1 . PHE 50 50 11145 1 . ARG 51 51 11145 1 . PRO 52 52 11145 1 . ASP 53 53 11145 1 . LEU 54 54 11145 1 . ILE 55 55 11145 1 . ASP 56 56 11145 1 . TYR 57 57 11145 1 . LYS 58 58 11145 1 . SER 59 59 11145 1 . LEU 60 60 11145 1 . ASN 61 61 11145 1 . PRO 62 62 11145 1 . GLN 63 63 11145 1 . ASP 64 64 11145 1 . ILE 65 65 11145 1 . LYS 66 66 11145 1 . GLU 67 67 11145 1 . ASN 68 68 11145 1 . ASN 69 69 11145 1 . LYS 70 70 11145 1 . LYS 71 71 11145 1 . ALA 72 72 11145 1 . TYR 73 73 11145 1 . ASP 74 74 11145 1 . GLY 75 75 11145 1 . PHE 76 76 11145 1 . ALA 77 77 11145 1 . SER 78 78 11145 1 . ILE 79 79 11145 1 . GLY 80 80 11145 1 . ILE 81 81 11145 1 . SER 82 82 11145 1 . ARG 83 83 11145 1 . LEU 84 84 11145 1 . LEU 85 85 11145 1 . GLU 86 86 11145 1 . PRO 87 87 11145 1 . SER 88 88 11145 1 . ASP 89 89 11145 1 . MET 90 90 11145 1 . VAL 91 91 11145 1 . LEU 92 92 11145 1 . LEU 93 93 11145 1 . ALA 94 94 11145 1 . ILE 95 95 11145 1 . PRO 96 96 11145 1 . ASP 97 97 11145 1 . LYS 98 98 11145 1 . LEU 99 99 11145 1 . THR 100 100 11145 1 . VAL 101 101 11145 1 . MET 102 102 11145 1 . THR 103 103 11145 1 . TYR 104 104 11145 1 . LEU 105 105 11145 1 . TYR 106 106 11145 1 . GLN 107 107 11145 1 . ILE 108 108 11145 1 . ARG 109 109 11145 1 . ALA 110 110 11145 1 . HIS 111 111 11145 1 . PHE 112 112 11145 1 . SER 113 113 11145 1 . SER 114 114 11145 1 . GLY 115 115 11145 1 . PRO 116 116 11145 1 . SER 117 117 11145 1 . SER 118 118 11145 1 . GLY 119 119 11145 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 11145 _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 . . . . . . . . . . . . . . . . . . . . . 11145 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 11145 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P050725-07 . . . . . . 11145 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11145 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.85mM CH domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2 ; _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 'CH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.85 . . mM . . . . 11145 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11145 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11145 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11145 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11145 1 6 H2O . . . . . . solvent 90 . . % . . . . 11145 1 7 D2O . . . . . . solvent 10 . . % . . . . 11145 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 11145 _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 11145 1 pH 7.0 0.05 pH 11145 1 pressure 1 0.001 atm 11145 1 temperature 296 0.1 K 11145 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11145 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11145 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11145 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11145 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11145 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11145 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11145 _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.' . . 11145 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11145 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11145 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11145 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11145 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11145 _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.' . . 11145 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11145 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 11145 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11145 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11145 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 11145 _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 . . . . . . . . . . . . . . . . 11145 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11145 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 11145 _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 . . . . . . . . . 11145 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11145 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11145 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 11145 _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 11145 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11145 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11145 1 2 $NMRPipe . . 11145 1 3 $NMRview . . 11145 1 4 $Kujira . . 11145 1 5 $CYANA . . 11145 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 1 1 GLY HA2 H 1 3.764 0.030 . 1 . . . . 1 GLY HA2 . 11145 1 2 . 1 1 1 1 GLY HA3 H 1 3.764 0.030 . 1 . . . . 1 GLY HA3 . 11145 1 3 . 1 1 1 1 GLY CA C 13 41.485 0.300 . 1 . . . . 1 GLY CA . 11145 1 4 . 1 1 8 8 PRO HA H 1 4.417 0.030 . 1 . . . . 8 PRO HA . 11145 1 5 . 1 1 8 8 PRO HB2 H 1 2.163 0.030 . 2 . . . . 8 PRO HB2 . 11145 1 6 . 1 1 8 8 PRO HB3 H 1 1.867 0.030 . 2 . . . . 8 PRO HB3 . 11145 1 7 . 1 1 8 8 PRO HD2 H 1 3.500 0.030 . 2 . . . . 8 PRO HD2 . 11145 1 8 . 1 1 8 8 PRO HD3 H 1 3.574 0.030 . 2 . . . . 8 PRO HD3 . 11145 1 9 . 1 1 8 8 PRO HG2 H 1 1.938 0.030 . 1 . . . . 8 PRO HG2 . 11145 1 10 . 1 1 8 8 PRO HG3 H 1 1.938 0.030 . 1 . . . . 8 PRO HG3 . 11145 1 11 . 1 1 8 8 PRO CA C 13 61.150 0.300 . 1 . . . . 8 PRO CA . 11145 1 12 . 1 1 8 8 PRO CB C 13 29.712 0.300 . 1 . . . . 8 PRO CB . 11145 1 13 . 1 1 8 8 PRO CD C 13 47.393 0.300 . 1 . . . . 8 PRO CD . 11145 1 14 . 1 1 8 8 PRO CG C 13 24.906 0.300 . 1 . . . . 8 PRO CG . 11145 1 15 . 1 1 9 9 ASN HA H 1 4.651 0.030 . 1 . . . . 9 ASN HA . 11145 1 16 . 1 1 9 9 ASN HB2 H 1 2.810 0.030 . 1 . . . . 9 ASN HB2 . 11145 1 17 . 1 1 9 9 ASN HB3 H 1 2.810 0.030 . 1 . . . . 9 ASN HB3 . 11145 1 18 . 1 1 9 9 ASN HD21 H 1 6.909 0.030 . 2 . . . . 9 ASN HD21 . 11145 1 19 . 1 1 9 9 ASN HD22 H 1 7.577 0.030 . 2 . . . . 9 ASN HD22 . 11145 1 20 . 1 1 9 9 ASN CA C 13 51.097 0.300 . 1 . . . . 9 ASN CA . 11145 1 21 . 1 1 9 9 ASN CB C 13 36.549 0.300 . 1 . . . . 9 ASN CB . 11145 1 22 . 1 1 9 9 ASN ND2 N 15 113.050 0.300 . 1 . . . . 9 ASN ND2 . 11145 1 23 . 1 1 10 10 ALA HA H 1 4.194 0.030 . 1 . . . . 10 ALA HA . 11145 1 24 . 1 1 10 10 ALA HB1 H 1 1.377 0.030 . 1 . . . . 10 ALA HB . 11145 1 25 . 1 1 10 10 ALA HB2 H 1 1.377 0.030 . 1 . . . . 10 ALA HB . 11145 1 26 . 1 1 10 10 ALA HB3 H 1 1.377 0.030 . 1 . . . . 10 ALA HB . 11145 1 27 . 1 1 10 10 ALA CA C 13 52.024 0.300 . 1 . . . . 10 ALA CA . 11145 1 28 . 1 1 10 10 ALA CB C 13 16.489 0.300 . 1 . . . . 10 ALA CB . 11145 1 29 . 1 1 11 11 SER HA H 1 4.189 0.030 . 1 . . . . 11 SER HA . 11145 1 30 . 1 1 11 11 SER HB2 H 1 3.907 0.030 . 1 . . . . 11 SER HB2 . 11145 1 31 . 1 1 11 11 SER HB3 H 1 3.907 0.030 . 1 . . . . 11 SER HB3 . 11145 1 32 . 1 1 11 11 SER C C 13 173.414 0.300 . 1 . . . . 11 SER C . 11145 1 33 . 1 1 11 11 SER CA C 13 58.102 0.300 . 1 . . . . 11 SER CA . 11145 1 34 . 1 1 11 11 SER CB C 13 60.896 0.300 . 1 . . . . 11 SER CB . 11145 1 35 . 1 1 12 12 GLN H H 1 8.031 0.030 . 1 . . . . 12 GLN H . 11145 1 36 . 1 1 12 12 GLN HA H 1 4.237 0.030 . 1 . . . . 12 GLN HA . 11145 1 37 . 1 1 12 12 GLN HB2 H 1 2.109 0.030 . 1 . . . . 12 GLN HB2 . 11145 1 38 . 1 1 12 12 GLN HB3 H 1 2.109 0.030 . 1 . . . . 12 GLN HB3 . 11145 1 39 . 1 1 12 12 GLN HE21 H 1 6.742 0.030 . 2 . . . . 12 GLN HE21 . 11145 1 40 . 1 1 12 12 GLN HE22 H 1 7.368 0.030 . 2 . . . . 12 GLN HE22 . 11145 1 41 . 1 1 12 12 GLN HG2 H 1 2.417 0.030 . 1 . . . . 12 GLN HG2 . 11145 1 42 . 1 1 12 12 GLN HG3 H 1 2.417 0.030 . 1 . . . . 12 GLN HG3 . 11145 1 43 . 1 1 12 12 GLN C C 13 175.407 0.300 . 1 . . . . 12 GLN C . 11145 1 44 . 1 1 12 12 GLN CA C 13 55.371 0.300 . 1 . . . . 12 GLN CA . 11145 1 45 . 1 1 12 12 GLN CB C 13 26.418 0.300 . 1 . . . . 12 GLN CB . 11145 1 46 . 1 1 12 12 GLN CG C 13 31.478 0.300 . 1 . . . . 12 GLN CG . 11145 1 47 . 1 1 12 12 GLN N N 15 121.891 0.300 . 1 . . . . 12 GLN N . 11145 1 48 . 1 1 12 12 GLN NE2 N 15 110.863 0.300 . 1 . . . . 12 GLN NE2 . 11145 1 49 . 1 1 13 13 SER HA H 1 4.316 0.030 . 1 . . . . 13 SER HA . 11145 1 50 . 1 1 13 13 SER HB2 H 1 4.153 0.030 . 2 . . . . 13 SER HB2 . 11145 1 51 . 1 1 13 13 SER HB3 H 1 3.993 0.030 . 2 . . . . 13 SER HB3 . 11145 1 52 . 1 1 13 13 SER C C 13 174.038 0.300 . 1 . . . . 13 SER C . 11145 1 53 . 1 1 13 13 SER CA C 13 57.705 0.300 . 1 . . . . 13 SER CA . 11145 1 54 . 1 1 13 13 SER CB C 13 60.947 0.300 . 1 . . . . 13 SER CB . 11145 1 55 . 1 1 14 14 LEU H H 1 8.247 0.030 . 1 . . . . 14 LEU H . 11145 1 56 . 1 1 14 14 LEU HA H 1 4.251 0.030 . 1 . . . . 14 LEU HA . 11145 1 57 . 1 1 14 14 LEU HB2 H 1 1.406 0.030 . 2 . . . . 14 LEU HB2 . 11145 1 58 . 1 1 14 14 LEU HB3 H 1 1.946 0.030 . 2 . . . . 14 LEU HB3 . 11145 1 59 . 1 1 14 14 LEU HD11 H 1 0.557 0.030 . 1 . . . . 14 LEU HD1 . 11145 1 60 . 1 1 14 14 LEU HD12 H 1 0.557 0.030 . 1 . . . . 14 LEU HD1 . 11145 1 61 . 1 1 14 14 LEU HD13 H 1 0.557 0.030 . 1 . . . . 14 LEU HD1 . 11145 1 62 . 1 1 14 14 LEU HD21 H 1 -0.096 0.030 . 1 . . . . 14 LEU HD2 . 11145 1 63 . 1 1 14 14 LEU HD22 H 1 -0.096 0.030 . 1 . . . . 14 LEU HD2 . 11145 1 64 . 1 1 14 14 LEU HD23 H 1 -0.096 0.030 . 1 . . . . 14 LEU HD2 . 11145 1 65 . 1 1 14 14 LEU HG H 1 1.502 0.030 . 1 . . . . 14 LEU HG . 11145 1 66 . 1 1 14 14 LEU C C 13 176.359 0.300 . 1 . . . . 14 LEU C . 11145 1 67 . 1 1 14 14 LEU CA C 13 55.863 0.300 . 1 . . . . 14 LEU CA . 11145 1 68 . 1 1 14 14 LEU CB C 13 39.287 0.300 . 1 . . . . 14 LEU CB . 11145 1 69 . 1 1 14 14 LEU CD1 C 13 19.934 0.300 . 2 . . . . 14 LEU CD1 . 11145 1 70 . 1 1 14 14 LEU CD2 C 13 22.401 0.300 . 2 . . . . 14 LEU CD2 . 11145 1 71 . 1 1 14 14 LEU CG C 13 24.487 0.300 . 1 . . . . 14 LEU CG . 11145 1 72 . 1 1 14 14 LEU N N 15 123.421 0.300 . 1 . . . . 14 LEU N . 11145 1 73 . 1 1 15 15 LEU H H 1 8.597 0.030 . 1 . . . . 15 LEU H . 11145 1 74 . 1 1 15 15 LEU HA H 1 3.983 0.030 . 1 . . . . 15 LEU HA . 11145 1 75 . 1 1 15 15 LEU HB2 H 1 1.850 0.030 . 2 . . . . 15 LEU HB2 . 11145 1 76 . 1 1 15 15 LEU HB3 H 1 1.652 0.030 . 2 . . . . 15 LEU HB3 . 11145 1 77 . 1 1 15 15 LEU HD11 H 1 0.184 0.030 . 1 . . . . 15 LEU HD1 . 11145 1 78 . 1 1 15 15 LEU HD12 H 1 0.184 0.030 . 1 . . . . 15 LEU HD1 . 11145 1 79 . 1 1 15 15 LEU HD13 H 1 0.184 0.030 . 1 . . . . 15 LEU HD1 . 11145 1 80 . 1 1 15 15 LEU HD21 H 1 0.582 0.030 . 1 . . . . 15 LEU HD2 . 11145 1 81 . 1 1 15 15 LEU HD22 H 1 0.582 0.030 . 1 . . . . 15 LEU HD2 . 11145 1 82 . 1 1 15 15 LEU HD23 H 1 0.582 0.030 . 1 . . . . 15 LEU HD2 . 11145 1 83 . 1 1 15 15 LEU HG H 1 1.303 0.030 . 1 . . . . 15 LEU HG . 11145 1 84 . 1 1 15 15 LEU C C 13 176.287 0.300 . 1 . . . . 15 LEU C . 11145 1 85 . 1 1 15 15 LEU CA C 13 56.617 0.300 . 1 . . . . 15 LEU CA . 11145 1 86 . 1 1 15 15 LEU CB C 13 39.143 0.300 . 1 . . . . 15 LEU CB . 11145 1 87 . 1 1 15 15 LEU CD1 C 13 20.504 0.300 . 2 . . . . 15 LEU CD1 . 11145 1 88 . 1 1 15 15 LEU CD2 C 13 23.056 0.300 . 2 . . . . 15 LEU CD2 . 11145 1 89 . 1 1 15 15 LEU CG C 13 24.587 0.300 . 1 . . . . 15 LEU CG . 11145 1 90 . 1 1 15 15 LEU N N 15 121.664 0.300 . 1 . . . . 15 LEU N . 11145 1 91 . 1 1 16 16 VAL H H 1 7.874 0.030 . 1 . . . . 16 VAL H . 11145 1 92 . 1 1 16 16 VAL HA H 1 3.427 0.030 . 1 . . . . 16 VAL HA . 11145 1 93 . 1 1 16 16 VAL HB H 1 2.151 0.030 . 1 . . . . 16 VAL HB . 11145 1 94 . 1 1 16 16 VAL HG11 H 1 0.961 0.030 . 1 . . . . 16 VAL HG1 . 11145 1 95 . 1 1 16 16 VAL HG12 H 1 0.961 0.030 . 1 . . . . 16 VAL HG1 . 11145 1 96 . 1 1 16 16 VAL HG13 H 1 0.961 0.030 . 1 . . . . 16 VAL HG1 . 11145 1 97 . 1 1 16 16 VAL HG21 H 1 1.052 0.030 . 1 . . . . 16 VAL HG2 . 11145 1 98 . 1 1 16 16 VAL HG22 H 1 1.052 0.030 . 1 . . . . 16 VAL HG2 . 11145 1 99 . 1 1 16 16 VAL HG23 H 1 1.052 0.030 . 1 . . . . 16 VAL HG2 . 11145 1 100 . 1 1 16 16 VAL C C 13 175.864 0.300 . 1 . . . . 16 VAL C . 11145 1 101 . 1 1 16 16 VAL CA C 13 64.857 0.300 . 1 . . . . 16 VAL CA . 11145 1 102 . 1 1 16 16 VAL CB C 13 29.465 0.300 . 1 . . . . 16 VAL CB . 11145 1 103 . 1 1 16 16 VAL CG1 C 13 18.986 0.300 . 2 . . . . 16 VAL CG1 . 11145 1 104 . 1 1 16 16 VAL CG2 C 13 21.057 0.300 . 2 . . . . 16 VAL CG2 . 11145 1 105 . 1 1 16 16 VAL N N 15 117.720 0.300 . 1 . . . . 16 VAL N . 11145 1 106 . 1 1 17 17 TRP H H 1 8.205 0.030 . 1 . . . . 17 TRP H . 11145 1 107 . 1 1 17 17 TRP HA H 1 4.160 0.030 . 1 . . . . 17 TRP HA . 11145 1 108 . 1 1 17 17 TRP HB2 H 1 3.650 0.030 . 2 . . . . 17 TRP HB2 . 11145 1 109 . 1 1 17 17 TRP HB3 H 1 3.348 0.030 . 2 . . . . 17 TRP HB3 . 11145 1 110 . 1 1 17 17 TRP HD1 H 1 7.394 0.030 . 1 . . . . 17 TRP HD1 . 11145 1 111 . 1 1 17 17 TRP HE1 H 1 10.417 0.030 . 1 . . . . 17 TRP HE1 . 11145 1 112 . 1 1 17 17 TRP HE3 H 1 7.923 0.030 . 1 . . . . 17 TRP HE3 . 11145 1 113 . 1 1 17 17 TRP HH2 H 1 7.027 0.030 . 1 . . . . 17 TRP HH2 . 11145 1 114 . 1 1 17 17 TRP HZ2 H 1 7.497 0.030 . 1 . . . . 17 TRP HZ2 . 11145 1 115 . 1 1 17 17 TRP HZ3 H 1 6.932 0.030 . 1 . . . . 17 TRP HZ3 . 11145 1 116 . 1 1 17 17 TRP C C 13 175.246 0.300 . 1 . . . . 17 TRP C . 11145 1 117 . 1 1 17 17 TRP CA C 13 60.561 0.300 . 1 . . . . 17 TRP CA . 11145 1 118 . 1 1 17 17 TRP CB C 13 26.094 0.300 . 1 . . . . 17 TRP CB . 11145 1 119 . 1 1 17 17 TRP CD1 C 13 125.499 0.300 . 1 . . . . 17 TRP CD1 . 11145 1 120 . 1 1 17 17 TRP CE3 C 13 119.731 0.300 . 1 . . . . 17 TRP CE3 . 11145 1 121 . 1 1 17 17 TRP CH2 C 13 120.730 0.300 . 1 . . . . 17 TRP CH2 . 11145 1 122 . 1 1 17 17 TRP CZ2 C 13 111.707 0.300 . 1 . . . . 17 TRP CZ2 . 11145 1 123 . 1 1 17 17 TRP CZ3 C 13 118.673 0.300 . 1 . . . . 17 TRP CZ3 . 11145 1 124 . 1 1 17 17 TRP N N 15 121.263 0.300 . 1 . . . . 17 TRP N . 11145 1 125 . 1 1 17 17 TRP NE1 N 15 130.123 0.300 . 1 . . . . 17 TRP NE1 . 11145 1 126 . 1 1 18 18 CYS H H 1 8.675 0.030 . 1 . . . . 18 CYS H . 11145 1 127 . 1 1 18 18 CYS HA H 1 3.671 0.030 . 1 . . . . 18 CYS HA . 11145 1 128 . 1 1 18 18 CYS HB2 H 1 2.758 0.030 . 2 . . . . 18 CYS HB2 . 11145 1 129 . 1 1 18 18 CYS HB3 H 1 3.556 0.030 . 2 . . . . 18 CYS HB3 . 11145 1 130 . 1 1 18 18 CYS C C 13 175.500 0.300 . 1 . . . . 18 CYS C . 11145 1 131 . 1 1 18 18 CYS CA C 13 62.019 0.300 . 1 . . . . 18 CYS CA . 11145 1 132 . 1 1 18 18 CYS CB C 13 25.318 0.300 . 1 . . . . 18 CYS CB . 11145 1 133 . 1 1 18 18 CYS N N 15 114.498 0.300 . 1 . . . . 18 CYS N . 11145 1 134 . 1 1 19 19 LYS H H 1 8.219 0.030 . 1 . . . . 19 LYS H . 11145 1 135 . 1 1 19 19 LYS HA H 1 3.506 0.030 . 1 . . . . 19 LYS HA . 11145 1 136 . 1 1 19 19 LYS HB2 H 1 1.737 0.030 . 2 . . . . 19 LYS HB2 . 11145 1 137 . 1 1 19 19 LYS HB3 H 1 1.791 0.030 . 2 . . . . 19 LYS HB3 . 11145 1 138 . 1 1 19 19 LYS HD2 H 1 1.516 0.030 . 1 . . . . 19 LYS HD2 . 11145 1 139 . 1 1 19 19 LYS HD3 H 1 1.516 0.030 . 1 . . . . 19 LYS HD3 . 11145 1 140 . 1 1 19 19 LYS HE2 H 1 2.758 0.030 . 2 . . . . 19 LYS HE2 . 11145 1 141 . 1 1 19 19 LYS HE3 H 1 2.842 0.030 . 2 . . . . 19 LYS HE3 . 11145 1 142 . 1 1 19 19 LYS HG2 H 1 1.265 0.030 . 2 . . . . 19 LYS HG2 . 11145 1 143 . 1 1 19 19 LYS HG3 H 1 1.533 0.030 . 2 . . . . 19 LYS HG3 . 11145 1 144 . 1 1 19 19 LYS C C 13 175.420 0.300 . 1 . . . . 19 LYS C . 11145 1 145 . 1 1 19 19 LYS CA C 13 57.604 0.300 . 1 . . . . 19 LYS CA . 11145 1 146 . 1 1 19 19 LYS CB C 13 30.187 0.300 . 1 . . . . 19 LYS CB . 11145 1 147 . 1 1 19 19 LYS CD C 13 27.391 0.300 . 1 . . . . 19 LYS CD . 11145 1 148 . 1 1 19 19 LYS CE C 13 39.285 0.300 . 1 . . . . 19 LYS CE . 11145 1 149 . 1 1 19 19 LYS CG C 13 23.713 0.300 . 1 . . . . 19 LYS CG . 11145 1 150 . 1 1 19 19 LYS N N 15 119.548 0.300 . 1 . . . . 19 LYS N . 11145 1 151 . 1 1 20 20 GLU H H 1 8.126 0.030 . 1 . . . . 20 GLU H . 11145 1 152 . 1 1 20 20 GLU HA H 1 3.845 0.030 . 1 . . . . 20 GLU HA . 11145 1 153 . 1 1 20 20 GLU HB2 H 1 1.843 0.030 . 2 . . . . 20 GLU HB2 . 11145 1 154 . 1 1 20 20 GLU HB3 H 1 2.005 0.030 . 2 . . . . 20 GLU HB3 . 11145 1 155 . 1 1 20 20 GLU HG2 H 1 2.130 0.030 . 1 . . . . 20 GLU HG2 . 11145 1 156 . 1 1 20 20 GLU HG3 H 1 2.130 0.030 . 1 . . . . 20 GLU HG3 . 11145 1 157 . 1 1 20 20 GLU C C 13 177.391 0.300 . 1 . . . . 20 GLU C . 11145 1 158 . 1 1 20 20 GLU CA C 13 56.871 0.300 . 1 . . . . 20 GLU CA . 11145 1 159 . 1 1 20 20 GLU CB C 13 27.107 0.300 . 1 . . . . 20 GLU CB . 11145 1 160 . 1 1 20 20 GLU CG C 13 33.680 0.300 . 1 . . . . 20 GLU CG . 11145 1 161 . 1 1 20 20 GLU N N 15 119.462 0.300 . 1 . . . . 20 GLU N . 11145 1 162 . 1 1 21 21 VAL H H 1 7.767 0.030 . 1 . . . . 21 VAL H . 11145 1 163 . 1 1 21 21 VAL HA H 1 2.947 0.030 . 1 . . . . 21 VAL HA . 11145 1 164 . 1 1 21 21 VAL HB H 1 1.124 0.030 . 1 . . . . 21 VAL HB . 11145 1 165 . 1 1 21 21 VAL HG11 H 1 -0.121 0.030 . 1 . . . . 21 VAL HG1 . 11145 1 166 . 1 1 21 21 VAL HG12 H 1 -0.121 0.030 . 1 . . . . 21 VAL HG1 . 11145 1 167 . 1 1 21 21 VAL HG13 H 1 -0.121 0.030 . 1 . . . . 21 VAL HG1 . 11145 1 168 . 1 1 21 21 VAL HG21 H 1 0.131 0.030 . 1 . . . . 21 VAL HG2 . 11145 1 169 . 1 1 21 21 VAL HG22 H 1 0.131 0.030 . 1 . . . . 21 VAL HG2 . 11145 1 170 . 1 1 21 21 VAL HG23 H 1 0.131 0.030 . 1 . . . . 21 VAL HG2 . 11145 1 171 . 1 1 21 21 VAL C C 13 173.469 0.300 . 1 . . . . 21 VAL C . 11145 1 172 . 1 1 21 21 VAL CA C 13 62.338 0.300 . 1 . . . . 21 VAL CA . 11145 1 173 . 1 1 21 21 VAL CB C 13 28.534 0.300 . 1 . . . . 21 VAL CB . 11145 1 174 . 1 1 21 21 VAL CG1 C 13 17.367 0.300 . 2 . . . . 21 VAL CG1 . 11145 1 175 . 1 1 21 21 VAL CG2 C 13 19.129 0.300 . 2 . . . . 21 VAL CG2 . 11145 1 176 . 1 1 21 21 VAL N N 15 113.379 0.300 . 1 . . . . 21 VAL N . 11145 1 177 . 1 1 22 22 THR H H 1 6.545 0.030 . 1 . . . . 22 THR H . 11145 1 178 . 1 1 22 22 THR HA H 1 4.058 0.030 . 1 . . . . 22 THR HA . 11145 1 179 . 1 1 22 22 THR HB H 1 4.188 0.030 . 1 . . . . 22 THR HB . 11145 1 180 . 1 1 22 22 THR HG21 H 1 0.828 0.030 . 1 . . . . 22 THR HG2 . 11145 1 181 . 1 1 22 22 THR HG22 H 1 0.828 0.030 . 1 . . . . 22 THR HG2 . 11145 1 182 . 1 1 22 22 THR HG23 H 1 0.828 0.030 . 1 . . . . 22 THR HG2 . 11145 1 183 . 1 1 22 22 THR C C 13 172.536 0.300 . 1 . . . . 22 THR C . 11145 1 184 . 1 1 22 22 THR CA C 13 58.910 0.300 . 1 . . . . 22 THR CA . 11145 1 185 . 1 1 22 22 THR CB C 13 66.993 0.300 . 1 . . . . 22 THR CB . 11145 1 186 . 1 1 22 22 THR CG2 C 13 19.736 0.300 . 1 . . . . 22 THR CG2 . 11145 1 187 . 1 1 22 22 THR N N 15 102.933 0.300 . 1 . . . . 22 THR N . 11145 1 188 . 1 1 23 23 LYS H H 1 6.702 0.030 . 1 . . . . 23 LYS H . 11145 1 189 . 1 1 23 23 LYS HA H 1 3.903 0.030 . 1 . . . . 23 LYS HA . 11145 1 190 . 1 1 23 23 LYS HB2 H 1 1.786 0.030 . 2 . . . . 23 LYS HB2 . 11145 1 191 . 1 1 23 23 LYS HB3 H 1 1.669 0.030 . 2 . . . . 23 LYS HB3 . 11145 1 192 . 1 1 23 23 LYS HD2 H 1 1.563 0.030 . 1 . . . . 23 LYS HD2 . 11145 1 193 . 1 1 23 23 LYS HD3 H 1 1.563 0.030 . 1 . . . . 23 LYS HD3 . 11145 1 194 . 1 1 23 23 LYS HE2 H 1 2.851 0.030 . 1 . . . . 23 LYS HE2 . 11145 1 195 . 1 1 23 23 LYS HE3 H 1 2.851 0.030 . 1 . . . . 23 LYS HE3 . 11145 1 196 . 1 1 23 23 LYS HG2 H 1 1.241 0.030 . 2 . . . . 23 LYS HG2 . 11145 1 197 . 1 1 23 23 LYS HG3 H 1 1.327 0.030 . 2 . . . . 23 LYS HG3 . 11145 1 198 . 1 1 23 23 LYS C C 13 174.702 0.300 . 1 . . . . 23 LYS C . 11145 1 199 . 1 1 23 23 LYS CA C 13 56.344 0.300 . 1 . . . . 23 LYS CA . 11145 1 200 . 1 1 23 23 LYS CB C 13 30.037 0.300 . 1 . . . . 23 LYS CB . 11145 1 201 . 1 1 23 23 LYS CD C 13 27.170 0.300 . 1 . . . . 23 LYS CD . 11145 1 202 . 1 1 23 23 LYS CE C 13 39.675 0.300 . 1 . . . . 23 LYS CE . 11145 1 203 . 1 1 23 23 LYS CG C 13 21.503 0.300 . 1 . . . . 23 LYS CG . 11145 1 204 . 1 1 23 23 LYS N N 15 123.366 0.300 . 1 . . . . 23 LYS N . 11145 1 205 . 1 1 24 24 ASN H H 1 8.646 0.030 . 1 . . . . 24 ASN H . 11145 1 206 . 1 1 24 24 ASN HA H 1 4.338 0.030 . 1 . . . . 24 ASN HA . 11145 1 207 . 1 1 24 24 ASN HB2 H 1 2.726 0.030 . 2 . . . . 24 ASN HB2 . 11145 1 208 . 1 1 24 24 ASN HB3 H 1 2.652 0.030 . 2 . . . . 24 ASN HB3 . 11145 1 209 . 1 1 24 24 ASN HD21 H 1 7.418 0.030 . 2 . . . . 24 ASN HD21 . 11145 1 210 . 1 1 24 24 ASN HD22 H 1 6.821 0.030 . 2 . . . . 24 ASN HD22 . 11145 1 211 . 1 1 24 24 ASN C C 13 172.471 0.300 . 1 . . . . 24 ASN C . 11145 1 212 . 1 1 24 24 ASN CA C 13 51.848 0.300 . 1 . . . . 24 ASN CA . 11145 1 213 . 1 1 24 24 ASN CB C 13 35.174 0.300 . 1 . . . . 24 ASN CB . 11145 1 214 . 1 1 24 24 ASN N N 15 115.242 0.300 . 1 . . . . 24 ASN N . 11145 1 215 . 1 1 24 24 ASN ND2 N 15 113.033 0.300 . 1 . . . . 24 ASN ND2 . 11145 1 216 . 1 1 25 25 TYR H H 1 7.709 0.030 . 1 . . . . 25 TYR H . 11145 1 217 . 1 1 25 25 TYR HA H 1 3.915 0.030 . 1 . . . . 25 TYR HA . 11145 1 218 . 1 1 25 25 TYR HB2 H 1 2.213 0.030 . 2 . . . . 25 TYR HB2 . 11145 1 219 . 1 1 25 25 TYR HB3 H 1 2.653 0.030 . 2 . . . . 25 TYR HB3 . 11145 1 220 . 1 1 25 25 TYR HD1 H 1 5.866 0.030 . 1 . . . . 25 TYR HD1 . 11145 1 221 . 1 1 25 25 TYR HD2 H 1 5.866 0.030 . 1 . . . . 25 TYR HD2 . 11145 1 222 . 1 1 25 25 TYR HE1 H 1 6.385 0.030 . 1 . . . . 25 TYR HE1 . 11145 1 223 . 1 1 25 25 TYR HE2 H 1 6.385 0.030 . 1 . . . . 25 TYR HE2 . 11145 1 224 . 1 1 25 25 TYR C C 13 174.181 0.300 . 1 . . . . 25 TYR C . 11145 1 225 . 1 1 25 25 TYR CA C 13 56.802 0.300 . 1 . . . . 25 TYR CA . 11145 1 226 . 1 1 25 25 TYR CB C 13 35.185 0.300 . 1 . . . . 25 TYR CB . 11145 1 227 . 1 1 25 25 TYR CD1 C 13 130.004 0.300 . 1 . . . . 25 TYR CD1 . 11145 1 228 . 1 1 25 25 TYR CD2 C 13 130.004 0.300 . 1 . . . . 25 TYR CD2 . 11145 1 229 . 1 1 25 25 TYR CE1 C 13 115.061 0.300 . 1 . . . . 25 TYR CE1 . 11145 1 230 . 1 1 25 25 TYR CE2 C 13 115.061 0.300 . 1 . . . . 25 TYR CE2 . 11145 1 231 . 1 1 25 25 TYR N N 15 119.661 0.300 . 1 . . . . 25 TYR N . 11145 1 232 . 1 1 26 26 ARG H H 1 8.694 0.030 . 1 . . . . 26 ARG H . 11145 1 233 . 1 1 26 26 ARG HA H 1 4.016 0.030 . 1 . . . . 26 ARG HA . 11145 1 234 . 1 1 26 26 ARG HB2 H 1 1.819 0.030 . 1 . . . . 26 ARG HB2 . 11145 1 235 . 1 1 26 26 ARG HB3 H 1 1.819 0.030 . 1 . . . . 26 ARG HB3 . 11145 1 236 . 1 1 26 26 ARG HD2 H 1 3.148 0.030 . 1 . . . . 26 ARG HD2 . 11145 1 237 . 1 1 26 26 ARG HD3 H 1 3.148 0.030 . 1 . . . . 26 ARG HD3 . 11145 1 238 . 1 1 26 26 ARG HG2 H 1 1.490 0.030 . 2 . . . . 26 ARG HG2 . 11145 1 239 . 1 1 26 26 ARG HG3 H 1 1.644 0.030 . 2 . . . . 26 ARG HG3 . 11145 1 240 . 1 1 26 26 ARG C C 13 175.595 0.300 . 1 . . . . 26 ARG C . 11145 1 241 . 1 1 26 26 ARG CA C 13 55.353 0.300 . 1 . . . . 26 ARG CA . 11145 1 242 . 1 1 26 26 ARG CB C 13 27.854 0.300 . 1 . . . . 26 ARG CB . 11145 1 243 . 1 1 26 26 ARG CD C 13 41.023 0.300 . 1 . . . . 26 ARG CD . 11145 1 244 . 1 1 26 26 ARG CG C 13 24.498 0.300 . 1 . . . . 26 ARG CG . 11145 1 245 . 1 1 26 26 ARG N N 15 125.871 0.300 . 1 . . . . 26 ARG N . 11145 1 246 . 1 1 27 27 GLY HA2 H 1 3.585 0.030 . 2 . . . . 27 GLY HA2 . 11145 1 247 . 1 1 27 27 GLY HA3 H 1 3.989 0.030 . 2 . . . . 27 GLY HA3 . 11145 1 248 . 1 1 27 27 GLY C C 13 170.944 0.300 . 1 . . . . 27 GLY C . 11145 1 249 . 1 1 27 27 GLY CA C 13 42.814 0.300 . 1 . . . . 27 GLY CA . 11145 1 250 . 1 1 28 28 VAL H H 1 7.147 0.030 . 1 . . . . 28 VAL H . 11145 1 251 . 1 1 28 28 VAL HA H 1 3.825 0.030 . 1 . . . . 28 VAL HA . 11145 1 252 . 1 1 28 28 VAL HB H 1 1.812 0.030 . 1 . . . . 28 VAL HB . 11145 1 253 . 1 1 28 28 VAL HG11 H 1 0.593 0.030 . 1 . . . . 28 VAL HG1 . 11145 1 254 . 1 1 28 28 VAL HG12 H 1 0.593 0.030 . 1 . . . . 28 VAL HG1 . 11145 1 255 . 1 1 28 28 VAL HG13 H 1 0.593 0.030 . 1 . . . . 28 VAL HG1 . 11145 1 256 . 1 1 28 28 VAL HG21 H 1 0.578 0.030 . 1 . . . . 28 VAL HG2 . 11145 1 257 . 1 1 28 28 VAL HG22 H 1 0.578 0.030 . 1 . . . . 28 VAL HG2 . 11145 1 258 . 1 1 28 28 VAL HG23 H 1 0.578 0.030 . 1 . . . . 28 VAL HG2 . 11145 1 259 . 1 1 28 28 VAL C C 13 173.041 0.300 . 1 . . . . 28 VAL C . 11145 1 260 . 1 1 28 28 VAL CA C 13 60.119 0.300 . 1 . . . . 28 VAL CA . 11145 1 261 . 1 1 28 28 VAL CB C 13 30.100 0.300 . 1 . . . . 28 VAL CB . 11145 1 262 . 1 1 28 28 VAL CG1 C 13 18.902 0.300 . 2 . . . . 28 VAL CG1 . 11145 1 263 . 1 1 28 28 VAL CG2 C 13 20.300 0.300 . 2 . . . . 28 VAL CG2 . 11145 1 264 . 1 1 28 28 VAL N N 15 119.992 0.300 . 1 . . . . 28 VAL N . 11145 1 265 . 1 1 29 29 LYS H H 1 8.333 0.030 . 1 . . . . 29 LYS H . 11145 1 266 . 1 1 29 29 LYS HA H 1 4.219 0.030 . 1 . . . . 29 LYS HA . 11145 1 267 . 1 1 29 29 LYS HB2 H 1 1.460 0.030 . 2 . . . . 29 LYS HB2 . 11145 1 268 . 1 1 29 29 LYS HB3 H 1 1.548 0.030 . 2 . . . . 29 LYS HB3 . 11145 1 269 . 1 1 29 29 LYS HD2 H 1 1.492 0.030 . 1 . . . . 29 LYS HD2 . 11145 1 270 . 1 1 29 29 LYS HD3 H 1 1.492 0.030 . 1 . . . . 29 LYS HD3 . 11145 1 271 . 1 1 29 29 LYS HE2 H 1 2.769 0.030 . 1 . . . . 29 LYS HE2 . 11145 1 272 . 1 1 29 29 LYS HE3 H 1 2.769 0.030 . 1 . . . . 29 LYS HE3 . 11145 1 273 . 1 1 29 29 LYS HG2 H 1 1.000 0.030 . 2 . . . . 29 LYS HG2 . 11145 1 274 . 1 1 29 29 LYS HG3 H 1 1.118 0.030 . 2 . . . . 29 LYS HG3 . 11145 1 275 . 1 1 29 29 LYS C C 13 172.150 0.300 . 1 . . . . 29 LYS C . 11145 1 276 . 1 1 29 29 LYS CA C 13 53.541 0.300 . 1 . . . . 29 LYS CA . 11145 1 277 . 1 1 29 29 LYS CB C 13 31.389 0.300 . 1 . . . . 29 LYS CB . 11145 1 278 . 1 1 29 29 LYS CD C 13 26.778 0.300 . 1 . . . . 29 LYS CD . 11145 1 279 . 1 1 29 29 LYS CE C 13 39.669 0.300 . 1 . . . . 29 LYS CE . 11145 1 280 . 1 1 29 29 LYS CG C 13 22.277 0.300 . 1 . . . . 29 LYS CG . 11145 1 281 . 1 1 29 29 LYS N N 15 129.878 0.300 . 1 . . . . 29 LYS N . 11145 1 282 . 1 1 30 30 ILE H H 1 9.056 0.030 . 1 . . . . 30 ILE H . 11145 1 283 . 1 1 30 30 ILE HA H 1 3.655 0.030 . 1 . . . . 30 ILE HA . 11145 1 284 . 1 1 30 30 ILE HB H 1 1.475 0.030 . 1 . . . . 30 ILE HB . 11145 1 285 . 1 1 30 30 ILE HD11 H 1 0.177 0.030 . 1 . . . . 30 ILE HD1 . 11145 1 286 . 1 1 30 30 ILE HD12 H 1 0.177 0.030 . 1 . . . . 30 ILE HD1 . 11145 1 287 . 1 1 30 30 ILE HD13 H 1 0.177 0.030 . 1 . . . . 30 ILE HD1 . 11145 1 288 . 1 1 30 30 ILE HG12 H 1 0.195 0.030 . 2 . . . . 30 ILE HG12 . 11145 1 289 . 1 1 30 30 ILE HG13 H 1 0.914 0.030 . 2 . . . . 30 ILE HG13 . 11145 1 290 . 1 1 30 30 ILE HG21 H 1 0.643 0.030 . 1 . . . . 30 ILE HG2 . 11145 1 291 . 1 1 30 30 ILE HG22 H 1 0.643 0.030 . 1 . . . . 30 ILE HG2 . 11145 1 292 . 1 1 30 30 ILE HG23 H 1 0.643 0.030 . 1 . . . . 30 ILE HG2 . 11145 1 293 . 1 1 30 30 ILE C C 13 173.136 0.300 . 1 . . . . 30 ILE C . 11145 1 294 . 1 1 30 30 ILE CA C 13 58.701 0.300 . 1 . . . . 30 ILE CA . 11145 1 295 . 1 1 30 30 ILE CB C 13 35.574 0.300 . 1 . . . . 30 ILE CB . 11145 1 296 . 1 1 30 30 ILE CD1 C 13 11.799 0.300 . 1 . . . . 30 ILE CD1 . 11145 1 297 . 1 1 30 30 ILE CG1 C 13 24.653 0.300 . 1 . . . . 30 ILE CG1 . 11145 1 298 . 1 1 30 30 ILE CG2 C 13 16.248 0.300 . 1 . . . . 30 ILE CG2 . 11145 1 299 . 1 1 30 30 ILE N N 15 127.279 0.300 . 1 . . . . 30 ILE N . 11145 1 300 . 1 1 31 31 THR H H 1 8.098 0.030 . 1 . . . . 31 THR H . 11145 1 301 . 1 1 31 31 THR HA H 1 4.346 0.030 . 1 . . . . 31 THR HA . 11145 1 302 . 1 1 31 31 THR HB H 1 4.231 0.030 . 1 . . . . 31 THR HB . 11145 1 303 . 1 1 31 31 THR HG21 H 1 0.878 0.030 . 1 . . . . 31 THR HG2 . 11145 1 304 . 1 1 31 31 THR HG22 H 1 0.878 0.030 . 1 . . . . 31 THR HG2 . 11145 1 305 . 1 1 31 31 THR HG23 H 1 0.878 0.030 . 1 . . . . 31 THR HG2 . 11145 1 306 . 1 1 31 31 THR C C 13 171.189 0.300 . 1 . . . . 31 THR C . 11145 1 307 . 1 1 31 31 THR CA C 13 58.081 0.300 . 1 . . . . 31 THR CA . 11145 1 308 . 1 1 31 31 THR CB C 13 67.675 0.300 . 1 . . . . 31 THR CB . 11145 1 309 . 1 1 31 31 THR CG2 C 13 19.174 0.300 . 1 . . . . 31 THR CG2 . 11145 1 310 . 1 1 31 31 THR N N 15 115.187 0.300 . 1 . . . . 31 THR N . 11145 1 311 . 1 1 32 32 ASN H H 1 7.579 0.030 . 1 . . . . 32 ASN H . 11145 1 312 . 1 1 32 32 ASN HA H 1 4.398 0.030 . 1 . . . . 32 ASN HA . 11145 1 313 . 1 1 32 32 ASN HB2 H 1 3.327 0.030 . 2 . . . . 32 ASN HB2 . 11145 1 314 . 1 1 32 32 ASN HB3 H 1 3.254 0.030 . 2 . . . . 32 ASN HB3 . 11145 1 315 . 1 1 32 32 ASN HD21 H 1 7.746 0.030 . 2 . . . . 32 ASN HD21 . 11145 1 316 . 1 1 32 32 ASN HD22 H 1 7.196 0.030 . 2 . . . . 32 ASN HD22 . 11145 1 317 . 1 1 32 32 ASN C C 13 171.601 0.300 . 1 . . . . 32 ASN C . 11145 1 318 . 1 1 32 32 ASN CA C 13 49.433 0.300 . 1 . . . . 32 ASN CA . 11145 1 319 . 1 1 32 32 ASN CB C 13 36.856 0.300 . 1 . . . . 32 ASN CB . 11145 1 320 . 1 1 32 32 ASN N N 15 116.883 0.300 . 1 . . . . 32 ASN N . 11145 1 321 . 1 1 32 32 ASN ND2 N 15 117.355 0.300 . 1 . . . . 32 ASN ND2 . 11145 1 322 . 1 1 33 33 PHE H H 1 9.220 0.030 . 1 . . . . 33 PHE H . 11145 1 323 . 1 1 33 33 PHE HA H 1 5.077 0.030 . 1 . . . . 33 PHE HA . 11145 1 324 . 1 1 33 33 PHE HB2 H 1 3.557 0.030 . 2 . . . . 33 PHE HB2 . 11145 1 325 . 1 1 33 33 PHE HB3 H 1 2.596 0.030 . 2 . . . . 33 PHE HB3 . 11145 1 326 . 1 1 33 33 PHE HD1 H 1 6.934 0.030 . 1 . . . . 33 PHE HD1 . 11145 1 327 . 1 1 33 33 PHE HD2 H 1 6.934 0.030 . 1 . . . . 33 PHE HD2 . 11145 1 328 . 1 1 33 33 PHE HE1 H 1 7.206 0.030 . 1 . . . . 33 PHE HE1 . 11145 1 329 . 1 1 33 33 PHE HE2 H 1 7.206 0.030 . 1 . . . . 33 PHE HE2 . 11145 1 330 . 1 1 33 33 PHE HZ H 1 6.979 0.030 . 1 . . . . 33 PHE HZ . 11145 1 331 . 1 1 33 33 PHE C C 13 170.466 0.300 . 1 . . . . 33 PHE C . 11145 1 332 . 1 1 33 33 PHE CA C 13 56.773 0.300 . 1 . . . . 33 PHE CA . 11145 1 333 . 1 1 33 33 PHE CB C 13 36.912 0.300 . 1 . . . . 33 PHE CB . 11145 1 334 . 1 1 33 33 PHE CD1 C 13 129.283 0.300 . 1 . . . . 33 PHE CD1 . 11145 1 335 . 1 1 33 33 PHE CD2 C 13 129.283 0.300 . 1 . . . . 33 PHE CD2 . 11145 1 336 . 1 1 33 33 PHE CE1 C 13 128.738 0.300 . 1 . . . . 33 PHE CE1 . 11145 1 337 . 1 1 33 33 PHE CE2 C 13 128.738 0.300 . 1 . . . . 33 PHE CE2 . 11145 1 338 . 1 1 33 33 PHE CZ C 13 126.640 0.300 . 1 . . . . 33 PHE CZ . 11145 1 339 . 1 1 33 33 PHE N N 15 116.057 0.300 . 1 . . . . 33 PHE N . 11145 1 340 . 1 1 34 34 THR H H 1 8.148 0.030 . 1 . . . . 34 THR H . 11145 1 341 . 1 1 34 34 THR HA H 1 4.538 0.030 . 1 . . . . 34 THR HA . 11145 1 342 . 1 1 34 34 THR HB H 1 4.286 0.030 . 1 . . . . 34 THR HB . 11145 1 343 . 1 1 34 34 THR HG21 H 1 1.159 0.030 . 1 . . . . 34 THR HG2 . 11145 1 344 . 1 1 34 34 THR HG22 H 1 1.159 0.030 . 1 . . . . 34 THR HG2 . 11145 1 345 . 1 1 34 34 THR HG23 H 1 1.159 0.030 . 1 . . . . 34 THR HG2 . 11145 1 346 . 1 1 34 34 THR C C 13 174.847 0.300 . 1 . . . . 34 THR C . 11145 1 347 . 1 1 34 34 THR CA C 13 57.164 0.300 . 1 . . . . 34 THR CA . 11145 1 348 . 1 1 34 34 THR CB C 13 67.642 0.300 . 1 . . . . 34 THR CB . 11145 1 349 . 1 1 34 34 THR CG2 C 13 20.321 0.300 . 1 . . . . 34 THR CG2 . 11145 1 350 . 1 1 34 34 THR N N 15 104.047 0.300 . 1 . . . . 34 THR N . 11145 1 351 . 1 1 35 35 THR H H 1 9.650 0.030 . 1 . . . . 35 THR H . 11145 1 352 . 1 1 35 35 THR HA H 1 3.774 0.030 . 1 . . . . 35 THR HA . 11145 1 353 . 1 1 35 35 THR HB H 1 4.505 0.030 . 1 . . . . 35 THR HB . 11145 1 354 . 1 1 35 35 THR HG21 H 1 1.486 0.030 . 1 . . . . 35 THR HG2 . 11145 1 355 . 1 1 35 35 THR HG22 H 1 1.486 0.030 . 1 . . . . 35 THR HG2 . 11145 1 356 . 1 1 35 35 THR HG23 H 1 1.486 0.030 . 1 . . . . 35 THR HG2 . 11145 1 357 . 1 1 35 35 THR C C 13 174.992 0.300 . 1 . . . . 35 THR C . 11145 1 358 . 1 1 35 35 THR CA C 13 63.443 0.300 . 1 . . . . 35 THR CA . 11145 1 359 . 1 1 35 35 THR CB C 13 65.802 0.300 . 1 . . . . 35 THR CB . 11145 1 360 . 1 1 35 35 THR CG2 C 13 20.892 0.300 . 1 . . . . 35 THR CG2 . 11145 1 361 . 1 1 35 35 THR N N 15 116.675 0.300 . 1 . . . . 35 THR N . 11145 1 362 . 1 1 36 36 SER H H 1 9.319 0.030 . 1 . . . . 36 SER H . 11145 1 363 . 1 1 36 36 SER HA H 1 4.294 0.030 . 1 . . . . 36 SER HA . 11145 1 364 . 1 1 36 36 SER HB2 H 1 3.563 0.030 . 1 . . . . 36 SER HB2 . 11145 1 365 . 1 1 36 36 SER HB3 H 1 3.563 0.030 . 1 . . . . 36 SER HB3 . 11145 1 366 . 1 1 36 36 SER C C 13 171.257 0.300 . 1 . . . . 36 SER C . 11145 1 367 . 1 1 36 36 SER CA C 13 59.251 0.300 . 1 . . . . 36 SER CA . 11145 1 368 . 1 1 36 36 SER CB C 13 61.278 0.300 . 1 . . . . 36 SER CB . 11145 1 369 . 1 1 36 36 SER N N 15 118.459 0.300 . 1 . . . . 36 SER N . 11145 1 370 . 1 1 37 37 TRP H H 1 7.979 0.030 . 1 . . . . 37 TRP H . 11145 1 371 . 1 1 37 37 TRP HA H 1 4.095 0.030 . 1 . . . . 37 TRP HA . 11145 1 372 . 1 1 37 37 TRP HB2 H 1 3.350 0.030 . 2 . . . . 37 TRP HB2 . 11145 1 373 . 1 1 37 37 TRP HB3 H 1 2.745 0.030 . 2 . . . . 37 TRP HB3 . 11145 1 374 . 1 1 37 37 TRP HD1 H 1 6.840 0.030 . 1 . . . . 37 TRP HD1 . 11145 1 375 . 1 1 37 37 TRP HE1 H 1 10.155 0.030 . 1 . . . . 37 TRP HE1 . 11145 1 376 . 1 1 37 37 TRP HE3 H 1 5.695 0.030 . 1 . . . . 37 TRP HE3 . 11145 1 377 . 1 1 37 37 TRP HH2 H 1 6.777 0.030 . 1 . . . . 37 TRP HH2 . 11145 1 378 . 1 1 37 37 TRP HZ2 H 1 7.063 0.030 . 1 . . . . 37 TRP HZ2 . 11145 1 379 . 1 1 37 37 TRP HZ3 H 1 6.206 0.030 . 1 . . . . 37 TRP HZ3 . 11145 1 380 . 1 1 37 37 TRP C C 13 173.885 0.300 . 1 . . . . 37 TRP C . 11145 1 381 . 1 1 37 37 TRP CA C 13 54.440 0.300 . 1 . . . . 37 TRP CA . 11145 1 382 . 1 1 37 37 TRP CB C 13 27.222 0.300 . 1 . . . . 37 TRP CB . 11145 1 383 . 1 1 37 37 TRP CD1 C 13 124.623 0.300 . 1 . . . . 37 TRP CD1 . 11145 1 384 . 1 1 37 37 TRP CE3 C 13 119.031 0.300 . 1 . . . . 37 TRP CE3 . 11145 1 385 . 1 1 37 37 TRP CH2 C 13 121.470 0.300 . 1 . . . . 37 TRP CH2 . 11145 1 386 . 1 1 37 37 TRP CZ2 C 13 112.070 0.300 . 1 . . . . 37 TRP CZ2 . 11145 1 387 . 1 1 37 37 TRP CZ3 C 13 119.645 0.300 . 1 . . . . 37 TRP CZ3 . 11145 1 388 . 1 1 37 37 TRP N N 15 119.905 0.300 . 1 . . . . 37 TRP N . 11145 1 389 . 1 1 37 37 TRP NE1 N 15 127.786 0.300 . 1 . . . . 37 TRP NE1 . 11145 1 390 . 1 1 38 38 ARG H H 1 7.034 0.030 . 1 . . . . 38 ARG H . 11145 1 391 . 1 1 38 38 ARG HA H 1 4.390 0.030 . 1 . . . . 38 ARG HA . 11145 1 392 . 1 1 38 38 ARG HB2 H 1 1.947 0.030 . 2 . . . . 38 ARG HB2 . 11145 1 393 . 1 1 38 38 ARG HB3 H 1 1.628 0.030 . 2 . . . . 38 ARG HB3 . 11145 1 394 . 1 1 38 38 ARG HD2 H 1 3.278 0.030 . 1 . . . . 38 ARG HD2 . 11145 1 395 . 1 1 38 38 ARG HD3 H 1 3.278 0.030 . 1 . . . . 38 ARG HD3 . 11145 1 396 . 1 1 38 38 ARG HE H 1 7.387 0.030 . 1 . . . . 38 ARG HE . 11145 1 397 . 1 1 38 38 ARG HG2 H 1 1.511 0.030 . 2 . . . . 38 ARG HG2 . 11145 1 398 . 1 1 38 38 ARG HG3 H 1 1.956 0.030 . 2 . . . . 38 ARG HG3 . 11145 1 399 . 1 1 38 38 ARG C C 13 174.682 0.300 . 1 . . . . 38 ARG C . 11145 1 400 . 1 1 38 38 ARG CA C 13 57.694 0.300 . 1 . . . . 38 ARG CA . 11145 1 401 . 1 1 38 38 ARG CB C 13 29.203 0.300 . 1 . . . . 38 ARG CB . 11145 1 402 . 1 1 38 38 ARG CD C 13 41.909 0.300 . 1 . . . . 38 ARG CD . 11145 1 403 . 1 1 38 38 ARG CG C 13 25.741 0.300 . 1 . . . . 38 ARG CG . 11145 1 404 . 1 1 38 38 ARG N N 15 119.520 0.300 . 1 . . . . 38 ARG N . 11145 1 405 . 1 1 38 38 ARG NE N 15 86.571 0.300 . 1 . . . . 38 ARG NE . 11145 1 406 . 1 1 39 39 ASN H H 1 8.660 0.030 . 1 . . . . 39 ASN H . 11145 1 407 . 1 1 39 39 ASN HA H 1 4.351 0.030 . 1 . . . . 39 ASN HA . 11145 1 408 . 1 1 39 39 ASN HB2 H 1 2.758 0.030 . 2 . . . . 39 ASN HB2 . 11145 1 409 . 1 1 39 39 ASN HB3 H 1 3.695 0.030 . 2 . . . . 39 ASN HB3 . 11145 1 410 . 1 1 39 39 ASN HD21 H 1 7.521 0.030 . 2 . . . . 39 ASN HD21 . 11145 1 411 . 1 1 39 39 ASN HD22 H 1 7.222 0.030 . 2 . . . . 39 ASN HD22 . 11145 1 412 . 1 1 39 39 ASN C C 13 172.693 0.300 . 1 . . . . 39 ASN C . 11145 1 413 . 1 1 39 39 ASN CA C 13 51.471 0.300 . 1 . . . . 39 ASN CA . 11145 1 414 . 1 1 39 39 ASN CB C 13 34.727 0.300 . 1 . . . . 39 ASN CB . 11145 1 415 . 1 1 39 39 ASN N N 15 110.696 0.300 . 1 . . . . 39 ASN N . 11145 1 416 . 1 1 39 39 ASN ND2 N 15 111.937 0.300 . 1 . . . . 39 ASN ND2 . 11145 1 417 . 1 1 40 40 GLY H H 1 7.393 0.030 . 1 . . . . 40 GLY H . 11145 1 418 . 1 1 40 40 GLY HA2 H 1 4.044 0.030 . 1 . . . . 40 GLY HA2 . 11145 1 419 . 1 1 40 40 GLY HA3 H 1 4.044 0.030 . 1 . . . . 40 GLY HA3 . 11145 1 420 . 1 1 40 40 GLY C C 13 172.663 0.300 . 1 . . . . 40 GLY C . 11145 1 421 . 1 1 40 40 GLY CA C 13 44.551 0.300 . 1 . . . . 40 GLY CA . 11145 1 422 . 1 1 40 40 GLY N N 15 104.429 0.300 . 1 . . . . 40 GLY N . 11145 1 423 . 1 1 41 41 LEU H H 1 7.882 0.030 . 1 . . . . 41 LEU H . 11145 1 424 . 1 1 41 41 LEU HA H 1 3.774 0.030 . 1 . . . . 41 LEU HA . 11145 1 425 . 1 1 41 41 LEU HB2 H 1 1.606 0.030 . 1 . . . . 41 LEU HB2 . 11145 1 426 . 1 1 41 41 LEU HB3 H 1 1.606 0.030 . 1 . . . . 41 LEU HB3 . 11145 1 427 . 1 1 41 41 LEU HD11 H 1 0.673 0.030 . 1 . . . . 41 LEU HD1 . 11145 1 428 . 1 1 41 41 LEU HD12 H 1 0.673 0.030 . 1 . . . . 41 LEU HD1 . 11145 1 429 . 1 1 41 41 LEU HD13 H 1 0.673 0.030 . 1 . . . . 41 LEU HD1 . 11145 1 430 . 1 1 41 41 LEU HD21 H 1 0.387 0.030 . 1 . . . . 41 LEU HD2 . 11145 1 431 . 1 1 41 41 LEU HD22 H 1 0.387 0.030 . 1 . . . . 41 LEU HD2 . 11145 1 432 . 1 1 41 41 LEU HD23 H 1 0.387 0.030 . 1 . . . . 41 LEU HD2 . 11145 1 433 . 1 1 41 41 LEU HG H 1 1.288 0.030 . 1 . . . . 41 LEU HG . 11145 1 434 . 1 1 41 41 LEU C C 13 176.341 0.300 . 1 . . . . 41 LEU C . 11145 1 435 . 1 1 41 41 LEU CA C 13 56.520 0.300 . 1 . . . . 41 LEU CA . 11145 1 436 . 1 1 41 41 LEU CB C 13 37.982 0.300 . 1 . . . . 41 LEU CB . 11145 1 437 . 1 1 41 41 LEU CD1 C 13 23.478 0.300 . 2 . . . . 41 LEU CD1 . 11145 1 438 . 1 1 41 41 LEU CD2 C 13 20.967 0.300 . 2 . . . . 41 LEU CD2 . 11145 1 439 . 1 1 41 41 LEU CG C 13 24.637 0.300 . 1 . . . . 41 LEU CG . 11145 1 440 . 1 1 41 41 LEU N N 15 120.658 0.300 . 1 . . . . 41 LEU N . 11145 1 441 . 1 1 42 42 SER H H 1 8.284 0.030 . 1 . . . . 42 SER H . 11145 1 442 . 1 1 42 42 SER HA H 1 3.785 0.030 . 1 . . . . 42 SER HA . 11145 1 443 . 1 1 42 42 SER HB2 H 1 2.947 0.030 . 2 . . . . 42 SER HB2 . 11145 1 444 . 1 1 42 42 SER HB3 H 1 2.524 0.030 . 2 . . . . 42 SER HB3 . 11145 1 445 . 1 1 42 42 SER C C 13 174.041 0.300 . 1 . . . . 42 SER C . 11145 1 446 . 1 1 42 42 SER CA C 13 60.080 0.300 . 1 . . . . 42 SER CA . 11145 1 447 . 1 1 42 42 SER CB C 13 60.704 0.300 . 1 . . . . 42 SER CB . 11145 1 448 . 1 1 42 42 SER N N 15 113.568 0.300 . 1 . . . . 42 SER N . 11145 1 449 . 1 1 43 43 PHE H H 1 8.476 0.030 . 1 . . . . 43 PHE H . 11145 1 450 . 1 1 43 43 PHE HA H 1 4.721 0.030 . 1 . . . . 43 PHE HA . 11145 1 451 . 1 1 43 43 PHE HB2 H 1 3.255 0.030 . 2 . . . . 43 PHE HB2 . 11145 1 452 . 1 1 43 43 PHE HB3 H 1 3.555 0.030 . 2 . . . . 43 PHE HB3 . 11145 1 453 . 1 1 43 43 PHE HD1 H 1 7.732 0.030 . 1 . . . . 43 PHE HD1 . 11145 1 454 . 1 1 43 43 PHE HD2 H 1 7.732 0.030 . 1 . . . . 43 PHE HD2 . 11145 1 455 . 1 1 43 43 PHE HE1 H 1 7.474 0.030 . 1 . . . . 43 PHE HE1 . 11145 1 456 . 1 1 43 43 PHE HE2 H 1 7.474 0.030 . 1 . . . . 43 PHE HE2 . 11145 1 457 . 1 1 43 43 PHE HZ H 1 7.183 0.030 . 1 . . . . 43 PHE HZ . 11145 1 458 . 1 1 43 43 PHE C C 13 175.971 0.300 . 1 . . . . 43 PHE C . 11145 1 459 . 1 1 43 43 PHE CA C 13 60.101 0.300 . 1 . . . . 43 PHE CA . 11145 1 460 . 1 1 43 43 PHE CB C 13 37.951 0.300 . 1 . . . . 43 PHE CB . 11145 1 461 . 1 1 43 43 PHE CD1 C 13 129.586 0.300 . 1 . . . . 43 PHE CD1 . 11145 1 462 . 1 1 43 43 PHE CD2 C 13 129.586 0.300 . 1 . . . . 43 PHE CD2 . 11145 1 463 . 1 1 43 43 PHE CE1 C 13 130.472 0.300 . 1 . . . . 43 PHE CE1 . 11145 1 464 . 1 1 43 43 PHE CE2 C 13 130.472 0.300 . 1 . . . . 43 PHE CE2 . 11145 1 465 . 1 1 43 43 PHE CZ C 13 127.781 0.300 . 1 . . . . 43 PHE CZ . 11145 1 466 . 1 1 43 43 PHE N N 15 117.837 0.300 . 1 . . . . 43 PHE N . 11145 1 467 . 1 1 44 44 CYS H H 1 8.268 0.030 . 1 . . . . 44 CYS H . 11145 1 468 . 1 1 44 44 CYS HA H 1 3.937 0.030 . 1 . . . . 44 CYS HA . 11145 1 469 . 1 1 44 44 CYS HB2 H 1 3.164 0.030 . 2 . . . . 44 CYS HB2 . 11145 1 470 . 1 1 44 44 CYS HB3 H 1 2.322 0.030 . 2 . . . . 44 CYS HB3 . 11145 1 471 . 1 1 44 44 CYS C C 13 173.681 0.300 . 1 . . . . 44 CYS C . 11145 1 472 . 1 1 44 44 CYS CA C 13 62.916 0.300 . 1 . . . . 44 CYS CA . 11145 1 473 . 1 1 44 44 CYS CB C 13 25.803 0.300 . 1 . . . . 44 CYS CB . 11145 1 474 . 1 1 44 44 CYS N N 15 115.874 0.300 . 1 . . . . 44 CYS N . 11145 1 475 . 1 1 45 45 ALA H H 1 8.822 0.030 . 1 . . . . 45 ALA H . 11145 1 476 . 1 1 45 45 ALA HA H 1 3.103 0.030 . 1 . . . . 45 ALA HA . 11145 1 477 . 1 1 45 45 ALA HB1 H 1 0.559 0.030 . 1 . . . . 45 ALA HB . 11145 1 478 . 1 1 45 45 ALA HB2 H 1 0.559 0.030 . 1 . . . . 45 ALA HB . 11145 1 479 . 1 1 45 45 ALA HB3 H 1 0.559 0.030 . 1 . . . . 45 ALA HB . 11145 1 480 . 1 1 45 45 ALA C C 13 175.553 0.300 . 1 . . . . 45 ALA C . 11145 1 481 . 1 1 45 45 ALA CA C 13 52.562 0.300 . 1 . . . . 45 ALA CA . 11145 1 482 . 1 1 45 45 ALA CB C 13 16.114 0.300 . 1 . . . . 45 ALA CB . 11145 1 483 . 1 1 45 45 ALA N N 15 123.421 0.300 . 1 . . . . 45 ALA N . 11145 1 484 . 1 1 46 46 ILE H H 1 7.385 0.030 . 1 . . . . 46 ILE H . 11145 1 485 . 1 1 46 46 ILE HA H 1 3.202 0.030 . 1 . . . . 46 ILE HA . 11145 1 486 . 1 1 46 46 ILE HB H 1 2.375 0.030 . 1 . . . . 46 ILE HB . 11145 1 487 . 1 1 46 46 ILE HD11 H 1 1.227 0.030 . 1 . . . . 46 ILE HD1 . 11145 1 488 . 1 1 46 46 ILE HD12 H 1 1.227 0.030 . 1 . . . . 46 ILE HD1 . 11145 1 489 . 1 1 46 46 ILE HD13 H 1 1.227 0.030 . 1 . . . . 46 ILE HD1 . 11145 1 490 . 1 1 46 46 ILE HG12 H 1 2.087 0.030 . 2 . . . . 46 ILE HG12 . 11145 1 491 . 1 1 46 46 ILE HG13 H 1 0.695 0.030 . 2 . . . . 46 ILE HG13 . 11145 1 492 . 1 1 46 46 ILE HG21 H 1 1.280 0.030 . 1 . . . . 46 ILE HG2 . 11145 1 493 . 1 1 46 46 ILE HG22 H 1 1.280 0.030 . 1 . . . . 46 ILE HG2 . 11145 1 494 . 1 1 46 46 ILE HG23 H 1 1.280 0.030 . 1 . . . . 46 ILE HG2 . 11145 1 495 . 1 1 46 46 ILE C C 13 175.045 0.300 . 1 . . . . 46 ILE C . 11145 1 496 . 1 1 46 46 ILE CA C 13 63.896 0.300 . 1 . . . . 46 ILE CA . 11145 1 497 . 1 1 46 46 ILE CB C 13 35.961 0.300 . 1 . . . . 46 ILE CB . 11145 1 498 . 1 1 46 46 ILE CD1 C 13 12.410 0.300 . 1 . . . . 46 ILE CD1 . 11145 1 499 . 1 1 46 46 ILE CG1 C 13 26.493 0.300 . 1 . . . . 46 ILE CG1 . 11145 1 500 . 1 1 46 46 ILE CG2 C 13 15.670 0.300 . 1 . . . . 46 ILE CG2 . 11145 1 501 . 1 1 46 46 ILE N N 15 115.949 0.300 . 1 . . . . 46 ILE N . 11145 1 502 . 1 1 47 47 LEU H H 1 7.701 0.030 . 1 . . . . 47 LEU H . 11145 1 503 . 1 1 47 47 LEU HA H 1 3.988 0.030 . 1 . . . . 47 LEU HA . 11145 1 504 . 1 1 47 47 LEU HB2 H 1 1.825 0.030 . 2 . . . . 47 LEU HB2 . 11145 1 505 . 1 1 47 47 LEU HB3 H 1 1.069 0.030 . 2 . . . . 47 LEU HB3 . 11145 1 506 . 1 1 47 47 LEU HD11 H 1 0.564 0.030 . 1 . . . . 47 LEU HD1 . 11145 1 507 . 1 1 47 47 LEU HD12 H 1 0.564 0.030 . 1 . . . . 47 LEU HD1 . 11145 1 508 . 1 1 47 47 LEU HD13 H 1 0.564 0.030 . 1 . . . . 47 LEU HD1 . 11145 1 509 . 1 1 47 47 LEU HD21 H 1 0.658 0.030 . 1 . . . . 47 LEU HD2 . 11145 1 510 . 1 1 47 47 LEU HD22 H 1 0.658 0.030 . 1 . . . . 47 LEU HD2 . 11145 1 511 . 1 1 47 47 LEU HD23 H 1 0.658 0.030 . 1 . . . . 47 LEU HD2 . 11145 1 512 . 1 1 47 47 LEU HG H 1 1.402 0.030 . 1 . . . . 47 LEU HG . 11145 1 513 . 1 1 47 47 LEU C C 13 174.602 0.300 . 1 . . . . 47 LEU C . 11145 1 514 . 1 1 47 47 LEU CA C 13 56.084 0.300 . 1 . . . . 47 LEU CA . 11145 1 515 . 1 1 47 47 LEU CB C 13 38.180 0.300 . 1 . . . . 47 LEU CB . 11145 1 516 . 1 1 47 47 LEU CD1 C 13 19.784 0.300 . 2 . . . . 47 LEU CD1 . 11145 1 517 . 1 1 47 47 LEU CD2 C 13 25.389 0.300 . 2 . . . . 47 LEU CD2 . 11145 1 518 . 1 1 47 47 LEU CG C 13 23.901 0.300 . 1 . . . . 47 LEU CG . 11145 1 519 . 1 1 47 47 LEU N N 15 116.434 0.300 . 1 . . . . 47 LEU N . 11145 1 520 . 1 1 48 48 HIS H H 1 8.597 0.030 . 1 . . . . 48 HIS H . 11145 1 521 . 1 1 48 48 HIS HA H 1 3.555 0.030 . 1 . . . . 48 HIS HA . 11145 1 522 . 1 1 48 48 HIS HB2 H 1 2.977 0.030 . 2 . . . . 48 HIS HB2 . 11145 1 523 . 1 1 48 48 HIS HB3 H 1 3.042 0.030 . 2 . . . . 48 HIS HB3 . 11145 1 524 . 1 1 48 48 HIS HD2 H 1 8.025 0.030 . 1 . . . . 48 HIS HD2 . 11145 1 525 . 1 1 48 48 HIS HE1 H 1 7.670 0.030 . 1 . . . . 48 HIS HE1 . 11145 1 526 . 1 1 48 48 HIS C C 13 173.544 0.300 . 1 . . . . 48 HIS C . 11145 1 527 . 1 1 48 48 HIS CA C 13 59.059 0.300 . 1 . . . . 48 HIS CA . 11145 1 528 . 1 1 48 48 HIS CB C 13 28.679 0.300 . 1 . . . . 48 HIS CB . 11145 1 529 . 1 1 48 48 HIS CD2 C 13 115.859 0.300 . 1 . . . . 48 HIS CD2 . 11145 1 530 . 1 1 48 48 HIS CE1 C 13 136.225 0.300 . 1 . . . . 48 HIS CE1 . 11145 1 531 . 1 1 48 48 HIS N N 15 117.155 0.300 . 1 . . . . 48 HIS N . 11145 1 532 . 1 1 49 49 HIS H H 1 8.348 0.030 . 1 . . . . 49 HIS H . 11145 1 533 . 1 1 49 49 HIS HA H 1 3.948 0.030 . 1 . . . . 49 HIS HA . 11145 1 534 . 1 1 49 49 HIS HB2 H 1 3.047 0.030 . 2 . . . . 49 HIS HB2 . 11145 1 535 . 1 1 49 49 HIS HB3 H 1 2.777 0.030 . 2 . . . . 49 HIS HB3 . 11145 1 536 . 1 1 49 49 HIS HD2 H 1 4.505 0.030 . 1 . . . . 49 HIS HD2 . 11145 1 537 . 1 1 49 49 HIS HE1 H 1 7.678 0.030 . 1 . . . . 49 HIS HE1 . 11145 1 538 . 1 1 49 49 HIS C C 13 174.415 0.300 . 1 . . . . 49 HIS C . 11145 1 539 . 1 1 49 49 HIS CA C 13 57.082 0.300 . 1 . . . . 49 HIS CA . 11145 1 540 . 1 1 49 49 HIS CB C 13 25.938 0.300 . 1 . . . . 49 HIS CB . 11145 1 541 . 1 1 49 49 HIS CD2 C 13 118.448 0.300 . 1 . . . . 49 HIS CD2 . 11145 1 542 . 1 1 49 49 HIS CE1 C 13 134.984 0.300 . 1 . . . . 49 HIS CE1 . 11145 1 543 . 1 1 49 49 HIS N N 15 116.693 0.300 . 1 . . . . 49 HIS N . 11145 1 544 . 1 1 50 50 PHE H H 1 7.016 0.030 . 1 . . . . 50 PHE H . 11145 1 545 . 1 1 50 50 PHE HA H 1 4.140 0.030 . 1 . . . . 50 PHE HA . 11145 1 546 . 1 1 50 50 PHE HB2 H 1 2.851 0.030 . 2 . . . . 50 PHE HB2 . 11145 1 547 . 1 1 50 50 PHE HB3 H 1 2.056 0.030 . 2 . . . . 50 PHE HB3 . 11145 1 548 . 1 1 50 50 PHE HD1 H 1 7.147 0.030 . 1 . . . . 50 PHE HD1 . 11145 1 549 . 1 1 50 50 PHE HD2 H 1 7.147 0.030 . 1 . . . . 50 PHE HD2 . 11145 1 550 . 1 1 50 50 PHE HE1 H 1 7.280 0.030 . 1 . . . . 50 PHE HE1 . 11145 1 551 . 1 1 50 50 PHE HE2 H 1 7.280 0.030 . 1 . . . . 50 PHE HE2 . 11145 1 552 . 1 1 50 50 PHE HZ H 1 7.488 0.030 . 1 . . . . 50 PHE HZ . 11145 1 553 . 1 1 50 50 PHE C C 13 174.538 0.300 . 1 . . . . 50 PHE C . 11145 1 554 . 1 1 50 50 PHE CA C 13 58.196 0.300 . 1 . . . . 50 PHE CA . 11145 1 555 . 1 1 50 50 PHE CB C 13 39.985 0.300 . 1 . . . . 50 PHE CB . 11145 1 556 . 1 1 50 50 PHE CD1 C 13 130.422 0.300 . 1 . . . . 50 PHE CD1 . 11145 1 557 . 1 1 50 50 PHE CD2 C 13 130.422 0.300 . 1 . . . . 50 PHE CD2 . 11145 1 558 . 1 1 50 50 PHE CE1 C 13 128.567 0.300 . 1 . . . . 50 PHE CE1 . 11145 1 559 . 1 1 50 50 PHE CE2 C 13 128.567 0.300 . 1 . . . . 50 PHE CE2 . 11145 1 560 . 1 1 50 50 PHE CZ C 13 127.201 0.300 . 1 . . . . 50 PHE CZ . 11145 1 561 . 1 1 50 50 PHE N N 15 112.195 0.300 . 1 . . . . 50 PHE N . 11145 1 562 . 1 1 51 51 ARG H H 1 9.127 0.030 . 1 . . . . 51 ARG H . 11145 1 563 . 1 1 51 51 ARG HA H 1 4.847 0.030 . 1 . . . . 51 ARG HA . 11145 1 564 . 1 1 51 51 ARG HB2 H 1 1.867 0.030 . 1 . . . . 51 ARG HB2 . 11145 1 565 . 1 1 51 51 ARG HB3 H 1 1.867 0.030 . 1 . . . . 51 ARG HB3 . 11145 1 566 . 1 1 51 51 ARG HD2 H 1 3.505 0.030 . 2 . . . . 51 ARG HD2 . 11145 1 567 . 1 1 51 51 ARG HD3 H 1 3.575 0.030 . 2 . . . . 51 ARG HD3 . 11145 1 568 . 1 1 51 51 ARG HE H 1 8.890 0.030 . 1 . . . . 51 ARG HE . 11145 1 569 . 1 1 51 51 ARG HG2 H 1 1.472 0.030 . 2 . . . . 51 ARG HG2 . 11145 1 570 . 1 1 51 51 ARG HG3 H 1 1.724 0.030 . 2 . . . . 51 ARG HG3 . 11145 1 571 . 1 1 51 51 ARG C C 13 169.914 0.300 . 1 . . . . 51 ARG C . 11145 1 572 . 1 1 51 51 ARG CA C 13 48.236 0.300 . 1 . . . . 51 ARG CA . 11145 1 573 . 1 1 51 51 ARG CB C 13 27.194 0.300 . 1 . . . . 51 ARG CB . 11145 1 574 . 1 1 51 51 ARG CD C 13 37.487 0.300 . 1 . . . . 51 ARG CD . 11145 1 575 . 1 1 51 51 ARG CG C 13 23.192 0.300 . 1 . . . . 51 ARG CG . 11145 1 576 . 1 1 51 51 ARG N N 15 119.701 0.300 . 1 . . . . 51 ARG N . 11145 1 577 . 1 1 51 51 ARG NE N 15 81.587 0.300 . 1 . . . . 51 ARG NE . 11145 1 578 . 1 1 52 52 PRO HA H 1 4.217 0.030 . 1 . . . . 52 PRO HA . 11145 1 579 . 1 1 52 52 PRO HB2 H 1 1.783 0.030 . 2 . . . . 52 PRO HB2 . 11145 1 580 . 1 1 52 52 PRO HB3 H 1 1.485 0.030 . 2 . . . . 52 PRO HB3 . 11145 1 581 . 1 1 52 52 PRO HD2 H 1 3.179 0.030 . 2 . . . . 52 PRO HD2 . 11145 1 582 . 1 1 52 52 PRO HD3 H 1 3.620 0.030 . 2 . . . . 52 PRO HD3 . 11145 1 583 . 1 1 52 52 PRO HG2 H 1 1.791 0.030 . 1 . . . . 52 PRO HG2 . 11145 1 584 . 1 1 52 52 PRO HG3 H 1 1.791 0.030 . 1 . . . . 52 PRO HG3 . 11145 1 585 . 1 1 52 52 PRO C C 13 174.102 0.300 . 1 . . . . 52 PRO C . 11145 1 586 . 1 1 52 52 PRO CA C 13 62.603 0.300 . 1 . . . . 52 PRO CA . 11145 1 587 . 1 1 52 52 PRO CB C 13 28.337 0.300 . 1 . . . . 52 PRO CB . 11145 1 588 . 1 1 52 52 PRO CD C 13 47.437 0.300 . 1 . . . . 52 PRO CD . 11145 1 589 . 1 1 52 52 PRO CG C 13 24.526 0.300 . 1 . . . . 52 PRO CG . 11145 1 590 . 1 1 53 53 ASP H H 1 8.996 0.030 . 1 . . . . 53 ASP H . 11145 1 591 . 1 1 53 53 ASP HA H 1 4.296 0.030 . 1 . . . . 53 ASP HA . 11145 1 592 . 1 1 53 53 ASP HB2 H 1 2.569 0.030 . 1 . . . . 53 ASP HB2 . 11145 1 593 . 1 1 53 53 ASP HB3 H 1 2.569 0.030 . 1 . . . . 53 ASP HB3 . 11145 1 594 . 1 1 53 53 ASP C C 13 174.697 0.300 . 1 . . . . 53 ASP C . 11145 1 595 . 1 1 53 53 ASP CA C 13 52.183 0.300 . 1 . . . . 53 ASP CA . 11145 1 596 . 1 1 53 53 ASP CB C 13 37.124 0.300 . 1 . . . . 53 ASP CB . 11145 1 597 . 1 1 53 53 ASP N N 15 113.336 0.300 . 1 . . . . 53 ASP N . 11145 1 598 . 1 1 54 54 LEU H H 1 7.971 0.030 . 1 . . . . 54 LEU H . 11145 1 599 . 1 1 54 54 LEU HA H 1 4.378 0.030 . 1 . . . . 54 LEU HA . 11145 1 600 . 1 1 54 54 LEU HB2 H 1 1.419 0.030 . 2 . . . . 54 LEU HB2 . 11145 1 601 . 1 1 54 54 LEU HB3 H 1 1.801 0.030 . 2 . . . . 54 LEU HB3 . 11145 1 602 . 1 1 54 54 LEU HD11 H 1 0.741 0.030 . 1 . . . . 54 LEU HD1 . 11145 1 603 . 1 1 54 54 LEU HD12 H 1 0.741 0.030 . 1 . . . . 54 LEU HD1 . 11145 1 604 . 1 1 54 54 LEU HD13 H 1 0.741 0.030 . 1 . . . . 54 LEU HD1 . 11145 1 605 . 1 1 54 54 LEU HD21 H 1 0.744 0.030 . 1 . . . . 54 LEU HD2 . 11145 1 606 . 1 1 54 54 LEU HD22 H 1 0.744 0.030 . 1 . . . . 54 LEU HD2 . 11145 1 607 . 1 1 54 54 LEU HD23 H 1 0.744 0.030 . 1 . . . . 54 LEU HD2 . 11145 1 608 . 1 1 54 54 LEU HG H 1 1.560 0.030 . 1 . . . . 54 LEU HG . 11145 1 609 . 1 1 54 54 LEU C C 13 174.011 0.300 . 1 . . . . 54 LEU C . 11145 1 610 . 1 1 54 54 LEU CA C 13 52.546 0.300 . 1 . . . . 54 LEU CA . 11145 1 611 . 1 1 54 54 LEU CB C 13 40.511 0.300 . 1 . . . . 54 LEU CB . 11145 1 612 . 1 1 54 54 LEU CD1 C 13 23.452 0.300 . 2 . . . . 54 LEU CD1 . 11145 1 613 . 1 1 54 54 LEU CD2 C 13 20.112 0.300 . 2 . . . . 54 LEU CD2 . 11145 1 614 . 1 1 54 54 LEU CG C 13 24.505 0.300 . 1 . . . . 54 LEU CG . 11145 1 615 . 1 1 54 54 LEU N N 15 117.178 0.300 . 1 . . . . 54 LEU N . 11145 1 616 . 1 1 55 55 ILE H H 1 7.234 0.030 . 1 . . . . 55 ILE H . 11145 1 617 . 1 1 55 55 ILE HA H 1 4.322 0.030 . 1 . . . . 55 ILE HA . 11145 1 618 . 1 1 55 55 ILE HB H 1 1.772 0.030 . 1 . . . . 55 ILE HB . 11145 1 619 . 1 1 55 55 ILE HD11 H 1 0.967 0.030 . 1 . . . . 55 ILE HD1 . 11145 1 620 . 1 1 55 55 ILE HD12 H 1 0.967 0.030 . 1 . . . . 55 ILE HD1 . 11145 1 621 . 1 1 55 55 ILE HD13 H 1 0.967 0.030 . 1 . . . . 55 ILE HD1 . 11145 1 622 . 1 1 55 55 ILE HG12 H 1 0.871 0.030 . 2 . . . . 55 ILE HG12 . 11145 1 623 . 1 1 55 55 ILE HG13 H 1 1.486 0.030 . 2 . . . . 55 ILE HG13 . 11145 1 624 . 1 1 55 55 ILE HG21 H 1 0.906 0.030 . 1 . . . . 55 ILE HG2 . 11145 1 625 . 1 1 55 55 ILE HG22 H 1 0.906 0.030 . 1 . . . . 55 ILE HG2 . 11145 1 626 . 1 1 55 55 ILE HG23 H 1 0.906 0.030 . 1 . . . . 55 ILE HG2 . 11145 1 627 . 1 1 55 55 ILE C C 13 168.453 0.300 . 1 . . . . 55 ILE C . 11145 1 628 . 1 1 55 55 ILE CA C 13 57.230 0.300 . 1 . . . . 55 ILE CA . 11145 1 629 . 1 1 55 55 ILE CB C 13 38.643 0.300 . 1 . . . . 55 ILE CB . 11145 1 630 . 1 1 55 55 ILE CD1 C 13 13.690 0.300 . 1 . . . . 55 ILE CD1 . 11145 1 631 . 1 1 55 55 ILE CG1 C 13 26.856 0.300 . 1 . . . . 55 ILE CG1 . 11145 1 632 . 1 1 55 55 ILE CG2 C 13 13.767 0.300 . 1 . . . . 55 ILE CG2 . 11145 1 633 . 1 1 55 55 ILE N N 15 115.764 0.300 . 1 . . . . 55 ILE N . 11145 1 634 . 1 1 56 56 ASP H H 1 8.269 0.030 . 1 . . . . 56 ASP H . 11145 1 635 . 1 1 56 56 ASP HA H 1 5.013 0.030 . 1 . . . . 56 ASP HA . 11145 1 636 . 1 1 56 56 ASP HB2 H 1 2.495 0.030 . 2 . . . . 56 ASP HB2 . 11145 1 637 . 1 1 56 56 ASP HB3 H 1 2.717 0.030 . 2 . . . . 56 ASP HB3 . 11145 1 638 . 1 1 56 56 ASP C C 13 174.163 0.300 . 1 . . . . 56 ASP C . 11145 1 639 . 1 1 56 56 ASP CA C 13 49.344 0.300 . 1 . . . . 56 ASP CA . 11145 1 640 . 1 1 56 56 ASP CB C 13 37.806 0.300 . 1 . . . . 56 ASP CB . 11145 1 641 . 1 1 56 56 ASP N N 15 124.868 0.300 . 1 . . . . 56 ASP N . 11145 1 642 . 1 1 57 57 TYR H H 1 7.193 0.030 . 1 . . . . 57 TYR H . 11145 1 643 . 1 1 57 57 TYR HA H 1 3.562 0.030 . 1 . . . . 57 TYR HA . 11145 1 644 . 1 1 57 57 TYR HB2 H 1 2.374 0.030 . 2 . . . . 57 TYR HB2 . 11145 1 645 . 1 1 57 57 TYR HB3 H 1 2.278 0.030 . 2 . . . . 57 TYR HB3 . 11145 1 646 . 1 1 57 57 TYR HD1 H 1 6.518 0.030 . 1 . . . . 57 TYR HD1 . 11145 1 647 . 1 1 57 57 TYR HD2 H 1 6.518 0.030 . 1 . . . . 57 TYR HD2 . 11145 1 648 . 1 1 57 57 TYR HE1 H 1 6.757 0.030 . 1 . . . . 57 TYR HE1 . 11145 1 649 . 1 1 57 57 TYR HE2 H 1 6.757 0.030 . 1 . . . . 57 TYR HE2 . 11145 1 650 . 1 1 57 57 TYR C C 13 174.781 0.300 . 1 . . . . 57 TYR C . 11145 1 651 . 1 1 57 57 TYR CA C 13 59.456 0.300 . 1 . . . . 57 TYR CA . 11145 1 652 . 1 1 57 57 TYR CB C 13 36.708 0.300 . 1 . . . . 57 TYR CB . 11145 1 653 . 1 1 57 57 TYR CD1 C 13 130.610 0.300 . 1 . . . . 57 TYR CD1 . 11145 1 654 . 1 1 57 57 TYR CD2 C 13 130.610 0.300 . 1 . . . . 57 TYR CD2 . 11145 1 655 . 1 1 57 57 TYR CE1 C 13 115.678 0.300 . 1 . . . . 57 TYR CE1 . 11145 1 656 . 1 1 57 57 TYR CE2 C 13 115.678 0.300 . 1 . . . . 57 TYR CE2 . 11145 1 657 . 1 1 57 57 TYR N N 15 125.781 0.300 . 1 . . . . 57 TYR N . 11145 1 658 . 1 1 58 58 LYS H H 1 8.316 0.030 . 1 . . . . 58 LYS H . 11145 1 659 . 1 1 58 58 LYS HA H 1 3.956 0.030 . 1 . . . . 58 LYS HA . 11145 1 660 . 1 1 58 58 LYS HB2 H 1 1.879 0.030 . 2 . . . . 58 LYS HB2 . 11145 1 661 . 1 1 58 58 LYS HB3 H 1 1.807 0.030 . 2 . . . . 58 LYS HB3 . 11145 1 662 . 1 1 58 58 LYS HD2 H 1 1.627 0.030 . 1 . . . . 58 LYS HD2 . 11145 1 663 . 1 1 58 58 LYS HD3 H 1 1.627 0.030 . 1 . . . . 58 LYS HD3 . 11145 1 664 . 1 1 58 58 LYS HE2 H 1 2.968 0.030 . 1 . . . . 58 LYS HE2 . 11145 1 665 . 1 1 58 58 LYS HE3 H 1 2.968 0.030 . 1 . . . . 58 LYS HE3 . 11145 1 666 . 1 1 58 58 LYS HG2 H 1 1.516 0.030 . 2 . . . . 58 LYS HG2 . 11145 1 667 . 1 1 58 58 LYS HG3 H 1 1.361 0.030 . 2 . . . . 58 LYS HG3 . 11145 1 668 . 1 1 58 58 LYS C C 13 174.477 0.300 . 1 . . . . 58 LYS C . 11145 1 669 . 1 1 58 58 LYS CA C 13 56.252 0.300 . 1 . . . . 58 LYS CA . 11145 1 670 . 1 1 58 58 LYS CB C 13 29.592 0.300 . 1 . . . . 58 LYS CB . 11145 1 671 . 1 1 58 58 LYS CD C 13 26.972 0.300 . 1 . . . . 58 LYS CD . 11145 1 672 . 1 1 58 58 LYS CE C 13 39.960 0.300 . 1 . . . . 58 LYS CE . 11145 1 673 . 1 1 58 58 LYS CG C 13 22.385 0.300 . 1 . . . . 58 LYS CG . 11145 1 674 . 1 1 58 58 LYS N N 15 116.102 0.300 . 1 . . . . 58 LYS N . 11145 1 675 . 1 1 59 59 SER H H 1 7.078 0.030 . 1 . . . . 59 SER H . 11145 1 676 . 1 1 59 59 SER HA H 1 4.257 0.030 . 1 . . . . 59 SER HA . 11145 1 677 . 1 1 59 59 SER HB2 H 1 3.745 0.030 . 2 . . . . 59 SER HB2 . 11145 1 678 . 1 1 59 59 SER HB3 H 1 3.791 0.030 . 2 . . . . 59 SER HB3 . 11145 1 679 . 1 1 59 59 SER C C 13 172.094 0.300 . 1 . . . . 59 SER C . 11145 1 680 . 1 1 59 59 SER CA C 13 56.370 0.300 . 1 . . . . 59 SER CA . 11145 1 681 . 1 1 59 59 SER CB C 13 61.606 0.300 . 1 . . . . 59 SER CB . 11145 1 682 . 1 1 59 59 SER N N 15 111.598 0.300 . 1 . . . . 59 SER N . 11145 1 683 . 1 1 60 60 LEU H H 1 7.025 0.030 . 1 . . . . 60 LEU H . 11145 1 684 . 1 1 60 60 LEU HA H 1 4.151 0.030 . 1 . . . . 60 LEU HA . 11145 1 685 . 1 1 60 60 LEU HB2 H 1 1.102 0.030 . 2 . . . . 60 LEU HB2 . 11145 1 686 . 1 1 60 60 LEU HB3 H 1 0.848 0.030 . 2 . . . . 60 LEU HB3 . 11145 1 687 . 1 1 60 60 LEU HD11 H 1 0.443 0.030 . 1 . . . . 60 LEU HD1 . 11145 1 688 . 1 1 60 60 LEU HD12 H 1 0.443 0.030 . 1 . . . . 60 LEU HD1 . 11145 1 689 . 1 1 60 60 LEU HD13 H 1 0.443 0.030 . 1 . . . . 60 LEU HD1 . 11145 1 690 . 1 1 60 60 LEU HD21 H 1 0.631 0.030 . 1 . . . . 60 LEU HD2 . 11145 1 691 . 1 1 60 60 LEU HD22 H 1 0.631 0.030 . 1 . . . . 60 LEU HD2 . 11145 1 692 . 1 1 60 60 LEU HD23 H 1 0.631 0.030 . 1 . . . . 60 LEU HD2 . 11145 1 693 . 1 1 60 60 LEU HG H 1 1.587 0.030 . 1 . . . . 60 LEU HG . 11145 1 694 . 1 1 60 60 LEU C C 13 174.403 0.300 . 1 . . . . 60 LEU C . 11145 1 695 . 1 1 60 60 LEU CA C 13 52.508 0.300 . 1 . . . . 60 LEU CA . 11145 1 696 . 1 1 60 60 LEU CB C 13 38.800 0.300 . 1 . . . . 60 LEU CB . 11145 1 697 . 1 1 60 60 LEU CD1 C 13 25.837 0.300 . 2 . . . . 60 LEU CD1 . 11145 1 698 . 1 1 60 60 LEU CD2 C 13 19.312 0.300 . 2 . . . . 60 LEU CD2 . 11145 1 699 . 1 1 60 60 LEU CG C 13 23.467 0.300 . 1 . . . . 60 LEU CG . 11145 1 700 . 1 1 60 60 LEU N N 15 120.976 0.300 . 1 . . . . 60 LEU N . 11145 1 701 . 1 1 61 61 ASN H H 1 9.202 0.030 . 1 . . . . 61 ASN H . 11145 1 702 . 1 1 61 61 ASN HA H 1 5.046 0.030 . 1 . . . . 61 ASN HA . 11145 1 703 . 1 1 61 61 ASN HB2 H 1 2.978 0.030 . 2 . . . . 61 ASN HB2 . 11145 1 704 . 1 1 61 61 ASN HB3 H 1 2.686 0.030 . 2 . . . . 61 ASN HB3 . 11145 1 705 . 1 1 61 61 ASN HD21 H 1 7.730 0.030 . 2 . . . . 61 ASN HD21 . 11145 1 706 . 1 1 61 61 ASN HD22 H 1 6.889 0.030 . 2 . . . . 61 ASN HD22 . 11145 1 707 . 1 1 61 61 ASN C C 13 173.111 0.300 . 1 . . . . 61 ASN C . 11145 1 708 . 1 1 61 61 ASN CA C 13 47.393 0.300 . 1 . . . . 61 ASN CA . 11145 1 709 . 1 1 61 61 ASN CB C 13 37.810 0.300 . 1 . . . . 61 ASN CB . 11145 1 710 . 1 1 61 61 ASN N N 15 122.177 0.300 . 1 . . . . 61 ASN N . 11145 1 711 . 1 1 61 61 ASN ND2 N 15 113.801 0.300 . 1 . . . . 61 ASN ND2 . 11145 1 712 . 1 1 62 62 PRO HA H 1 3.797 0.030 . 1 . . . . 62 PRO HA . 11145 1 713 . 1 1 62 62 PRO HB2 H 1 1.912 0.030 . 2 . . . . 62 PRO HB2 . 11145 1 714 . 1 1 62 62 PRO HB3 H 1 2.217 0.030 . 2 . . . . 62 PRO HB3 . 11145 1 715 . 1 1 62 62 PRO HD2 H 1 3.819 0.030 . 2 . . . . 62 PRO HD2 . 11145 1 716 . 1 1 62 62 PRO HD3 H 1 3.761 0.030 . 2 . . . . 62 PRO HD3 . 11145 1 717 . 1 1 62 62 PRO HG2 H 1 1.983 0.030 . 2 . . . . 62 PRO HG2 . 11145 1 718 . 1 1 62 62 PRO HG3 H 1 1.898 0.030 . 2 . . . . 62 PRO HG3 . 11145 1 719 . 1 1 62 62 PRO C C 13 173.390 0.300 . 1 . . . . 62 PRO C . 11145 1 720 . 1 1 62 62 PRO CA C 13 62.667 0.300 . 1 . . . . 62 PRO CA . 11145 1 721 . 1 1 62 62 PRO CB C 13 30.219 0.300 . 1 . . . . 62 PRO CB . 11145 1 722 . 1 1 62 62 PRO CD C 13 49.031 0.300 . 1 . . . . 62 PRO CD . 11145 1 723 . 1 1 62 62 PRO CG C 13 24.871 0.300 . 1 . . . . 62 PRO CG . 11145 1 724 . 1 1 63 63 GLN H H 1 8.145 0.030 . 1 . . . . 63 GLN H . 11145 1 725 . 1 1 63 63 GLN HA H 1 4.168 0.030 . 1 . . . . 63 GLN HA . 11145 1 726 . 1 1 63 63 GLN HB2 H 1 1.907 0.030 . 2 . . . . 63 GLN HB2 . 11145 1 727 . 1 1 63 63 GLN HB3 H 1 2.098 0.030 . 2 . . . . 63 GLN HB3 . 11145 1 728 . 1 1 63 63 GLN HE21 H 1 6.903 0.030 . 2 . . . . 63 GLN HE21 . 11145 1 729 . 1 1 63 63 GLN HE22 H 1 6.715 0.030 . 2 . . . . 63 GLN HE22 . 11145 1 730 . 1 1 63 63 GLN HG2 H 1 2.319 0.030 . 2 . . . . 63 GLN HG2 . 11145 1 731 . 1 1 63 63 GLN HG3 H 1 2.392 0.030 . 2 . . . . 63 GLN HG3 . 11145 1 732 . 1 1 63 63 GLN C C 13 175.162 0.300 . 1 . . . . 63 GLN C . 11145 1 733 . 1 1 63 63 GLN CA C 13 54.386 0.300 . 1 . . . . 63 GLN CA . 11145 1 734 . 1 1 63 63 GLN CB C 13 26.296 0.300 . 1 . . . . 63 GLN CB . 11145 1 735 . 1 1 63 63 GLN CG C 13 31.731 0.300 . 1 . . . . 63 GLN CG . 11145 1 736 . 1 1 63 63 GLN N N 15 111.907 0.300 . 1 . . . . 63 GLN N . 11145 1 737 . 1 1 63 63 GLN NE2 N 15 109.659 0.300 . 1 . . . . 63 GLN NE2 . 11145 1 738 . 1 1 64 64 ASP H H 1 7.459 0.030 . 1 . . . . 64 ASP H . 11145 1 739 . 1 1 64 64 ASP HA H 1 4.764 0.030 . 1 . . . . 64 ASP HA . 11145 1 740 . 1 1 64 64 ASP HB2 H 1 2.581 0.030 . 2 . . . . 64 ASP HB2 . 11145 1 741 . 1 1 64 64 ASP HB3 H 1 2.877 0.030 . 2 . . . . 64 ASP HB3 . 11145 1 742 . 1 1 64 64 ASP C C 13 172.124 0.300 . 1 . . . . 64 ASP C . 11145 1 743 . 1 1 64 64 ASP CA C 13 50.650 0.300 . 1 . . . . 64 ASP CA . 11145 1 744 . 1 1 64 64 ASP CB C 13 36.403 0.300 . 1 . . . . 64 ASP CB . 11145 1 745 . 1 1 64 64 ASP N N 15 122.985 0.300 . 1 . . . . 64 ASP N . 11145 1 746 . 1 1 65 65 ILE H H 1 7.587 0.030 . 1 . . . . 65 ILE H . 11145 1 747 . 1 1 65 65 ILE HA H 1 3.425 0.030 . 1 . . . . 65 ILE HA . 11145 1 748 . 1 1 65 65 ILE HB H 1 1.686 0.030 . 1 . . . . 65 ILE HB . 11145 1 749 . 1 1 65 65 ILE HD11 H 1 0.886 0.030 . 1 . . . . 65 ILE HD1 . 11145 1 750 . 1 1 65 65 ILE HD12 H 1 0.886 0.030 . 1 . . . . 65 ILE HD1 . 11145 1 751 . 1 1 65 65 ILE HD13 H 1 0.886 0.030 . 1 . . . . 65 ILE HD1 . 11145 1 752 . 1 1 65 65 ILE HG12 H 1 0.943 0.030 . 2 . . . . 65 ILE HG12 . 11145 1 753 . 1 1 65 65 ILE HG13 H 1 1.677 0.030 . 2 . . . . 65 ILE HG13 . 11145 1 754 . 1 1 65 65 ILE HG21 H 1 0.767 0.030 . 1 . . . . 65 ILE HG2 . 11145 1 755 . 1 1 65 65 ILE HG22 H 1 0.767 0.030 . 1 . . . . 65 ILE HG2 . 11145 1 756 . 1 1 65 65 ILE HG23 H 1 0.767 0.030 . 1 . . . . 65 ILE HG2 . 11145 1 757 . 1 1 65 65 ILE C C 13 176.753 0.300 . 1 . . . . 65 ILE C . 11145 1 758 . 1 1 65 65 ILE CA C 13 63.745 0.300 . 1 . . . . 65 ILE CA . 11145 1 759 . 1 1 65 65 ILE CB C 13 36.566 0.300 . 1 . . . . 65 ILE CB . 11145 1 760 . 1 1 65 65 ILE CD1 C 13 10.788 0.300 . 1 . . . . 65 ILE CD1 . 11145 1 761 . 1 1 65 65 ILE CG1 C 13 26.616 0.300 . 1 . . . . 65 ILE CG1 . 11145 1 762 . 1 1 65 65 ILE CG2 C 13 15.248 0.300 . 1 . . . . 65 ILE CG2 . 11145 1 763 . 1 1 65 65 ILE N N 15 120.285 0.300 . 1 . . . . 65 ILE N . 11145 1 764 . 1 1 66 66 LYS H H 1 8.761 0.030 . 1 . . . . 66 LYS H . 11145 1 765 . 1 1 66 66 LYS HA H 1 3.609 0.030 . 1 . . . . 66 LYS HA . 11145 1 766 . 1 1 66 66 LYS HB2 H 1 1.697 0.030 . 1 . . . . 66 LYS HB2 . 11145 1 767 . 1 1 66 66 LYS HB3 H 1 1.697 0.030 . 1 . . . . 66 LYS HB3 . 11145 1 768 . 1 1 66 66 LYS HD2 H 1 1.597 0.030 . 1 . . . . 66 LYS HD2 . 11145 1 769 . 1 1 66 66 LYS HD3 H 1 1.597 0.030 . 1 . . . . 66 LYS HD3 . 11145 1 770 . 1 1 66 66 LYS HE2 H 1 2.840 0.030 . 1 . . . . 66 LYS HE2 . 11145 1 771 . 1 1 66 66 LYS HE3 H 1 2.840 0.030 . 1 . . . . 66 LYS HE3 . 11145 1 772 . 1 1 66 66 LYS HG2 H 1 1.207 0.030 . 2 . . . . 66 LYS HG2 . 11145 1 773 . 1 1 66 66 LYS HG3 H 1 1.127 0.030 . 2 . . . . 66 LYS HG3 . 11145 1 774 . 1 1 66 66 LYS C C 13 175.717 0.300 . 1 . . . . 66 LYS C . 11145 1 775 . 1 1 66 66 LYS CA C 13 58.577 0.300 . 1 . . . . 66 LYS CA . 11145 1 776 . 1 1 66 66 LYS CB C 13 30.069 0.300 . 1 . . . . 66 LYS CB . 11145 1 777 . 1 1 66 66 LYS CD C 13 27.173 0.300 . 1 . . . . 66 LYS CD . 11145 1 778 . 1 1 66 66 LYS CE C 13 39.574 0.300 . 1 . . . . 66 LYS CE . 11145 1 779 . 1 1 66 66 LYS CG C 13 23.345 0.300 . 1 . . . . 66 LYS CG . 11145 1 780 . 1 1 66 66 LYS N N 15 120.342 0.300 . 1 . . . . 66 LYS N . 11145 1 781 . 1 1 67 67 GLU H H 1 8.321 0.030 . 1 . . . . 67 GLU H . 11145 1 782 . 1 1 67 67 GLU HA H 1 3.862 0.030 . 1 . . . . 67 GLU HA . 11145 1 783 . 1 1 67 67 GLU HB2 H 1 1.884 0.030 . 2 . . . . 67 GLU HB2 . 11145 1 784 . 1 1 67 67 GLU HB3 H 1 1.754 0.030 . 2 . . . . 67 GLU HB3 . 11145 1 785 . 1 1 67 67 GLU HG2 H 1 2.326 0.030 . 2 . . . . 67 GLU HG2 . 11145 1 786 . 1 1 67 67 GLU HG3 H 1 2.140 0.030 . 2 . . . . 67 GLU HG3 . 11145 1 787 . 1 1 67 67 GLU C C 13 176.294 0.300 . 1 . . . . 67 GLU C . 11145 1 788 . 1 1 67 67 GLU CA C 13 57.018 0.300 . 1 . . . . 67 GLU CA . 11145 1 789 . 1 1 67 67 GLU CB C 13 27.066 0.300 . 1 . . . . 67 GLU CB . 11145 1 790 . 1 1 67 67 GLU CG C 13 33.895 0.300 . 1 . . . . 67 GLU CG . 11145 1 791 . 1 1 67 67 GLU N N 15 117.938 0.300 . 1 . . . . 67 GLU N . 11145 1 792 . 1 1 68 68 ASN H H 1 8.748 0.030 . 1 . . . . 68 ASN H . 11145 1 793 . 1 1 68 68 ASN HA H 1 4.111 0.030 . 1 . . . . 68 ASN HA . 11145 1 794 . 1 1 68 68 ASN HB2 H 1 3.132 0.030 . 2 . . . . 68 ASN HB2 . 11145 1 795 . 1 1 68 68 ASN HB3 H 1 2.343 0.030 . 2 . . . . 68 ASN HB3 . 11145 1 796 . 1 1 68 68 ASN HD21 H 1 6.942 0.030 . 2 . . . . 68 ASN HD21 . 11145 1 797 . 1 1 68 68 ASN HD22 H 1 6.896 0.030 . 2 . . . . 68 ASN HD22 . 11145 1 798 . 1 1 68 68 ASN C C 13 175.276 0.300 . 1 . . . . 68 ASN C . 11145 1 799 . 1 1 68 68 ASN CA C 13 53.439 0.300 . 1 . . . . 68 ASN CA . 11145 1 800 . 1 1 68 68 ASN CB C 13 35.653 0.300 . 1 . . . . 68 ASN CB . 11145 1 801 . 1 1 68 68 ASN N N 15 117.426 0.300 . 1 . . . . 68 ASN N . 11145 1 802 . 1 1 68 68 ASN ND2 N 15 106.138 0.300 . 1 . . . . 68 ASN ND2 . 11145 1 803 . 1 1 69 69 ASN H H 1 7.122 0.030 . 1 . . . . 69 ASN H . 11145 1 804 . 1 1 69 69 ASN HA H 1 3.834 0.030 . 1 . . . . 69 ASN HA . 11145 1 805 . 1 1 69 69 ASN HB2 H 1 2.009 0.030 . 2 . . . . 69 ASN HB2 . 11145 1 806 . 1 1 69 69 ASN HB3 H 1 2.512 0.030 . 2 . . . . 69 ASN HB3 . 11145 1 807 . 1 1 69 69 ASN HD21 H 1 7.097 0.030 . 2 . . . . 69 ASN HD21 . 11145 1 808 . 1 1 69 69 ASN HD22 H 1 8.328 0.030 . 2 . . . . 69 ASN HD22 . 11145 1 809 . 1 1 69 69 ASN C C 13 171.899 0.300 . 1 . . . . 69 ASN C . 11145 1 810 . 1 1 69 69 ASN CA C 13 55.521 0.300 . 1 . . . . 69 ASN CA . 11145 1 811 . 1 1 69 69 ASN CB C 13 36.959 0.300 . 1 . . . . 69 ASN CB . 11145 1 812 . 1 1 69 69 ASN N N 15 114.700 0.300 . 1 . . . . 69 ASN N . 11145 1 813 . 1 1 69 69 ASN ND2 N 15 117.237 0.300 . 1 . . . . 69 ASN ND2 . 11145 1 814 . 1 1 70 70 LYS H H 1 8.122 0.030 . 1 . . . . 70 LYS H . 11145 1 815 . 1 1 70 70 LYS HA H 1 3.568 0.030 . 1 . . . . 70 LYS HA . 11145 1 816 . 1 1 70 70 LYS HB2 H 1 1.816 0.030 . 2 . . . . 70 LYS HB2 . 11145 1 817 . 1 1 70 70 LYS HB3 H 1 1.615 0.030 . 2 . . . . 70 LYS HB3 . 11145 1 818 . 1 1 70 70 LYS HD2 H 1 1.572 0.030 . 2 . . . . 70 LYS HD2 . 11145 1 819 . 1 1 70 70 LYS HD3 H 1 1.631 0.030 . 2 . . . . 70 LYS HD3 . 11145 1 820 . 1 1 70 70 LYS HE2 H 1 2.969 0.030 . 1 . . . . 70 LYS HE2 . 11145 1 821 . 1 1 70 70 LYS HE3 H 1 2.969 0.030 . 1 . . . . 70 LYS HE3 . 11145 1 822 . 1 1 70 70 LYS HG2 H 1 1.308 0.030 . 1 . . . . 70 LYS HG2 . 11145 1 823 . 1 1 70 70 LYS HG3 H 1 1.308 0.030 . 1 . . . . 70 LYS HG3 . 11145 1 824 . 1 1 70 70 LYS C C 13 175.417 0.300 . 1 . . . . 70 LYS C . 11145 1 825 . 1 1 70 70 LYS CA C 13 57.888 0.300 . 1 . . . . 70 LYS CA . 11145 1 826 . 1 1 70 70 LYS CB C 13 30.621 0.300 . 1 . . . . 70 LYS CB . 11145 1 827 . 1 1 70 70 LYS CD C 13 27.126 0.300 . 1 . . . . 70 LYS CD . 11145 1 828 . 1 1 70 70 LYS CE C 13 39.941 0.300 . 1 . . . . 70 LYS CE . 11145 1 829 . 1 1 70 70 LYS CG C 13 22.291 0.300 . 1 . . . . 70 LYS CG . 11145 1 830 . 1 1 70 70 LYS N N 15 117.554 0.300 . 1 . . . . 70 LYS N . 11145 1 831 . 1 1 71 71 LYS H H 1 8.311 0.030 . 1 . . . . 71 LYS H . 11145 1 832 . 1 1 71 71 LYS HA H 1 3.916 0.030 . 1 . . . . 71 LYS HA . 11145 1 833 . 1 1 71 71 LYS HB2 H 1 1.816 0.030 . 2 . . . . 71 LYS HB2 . 11145 1 834 . 1 1 71 71 LYS HB3 H 1 1.649 0.030 . 2 . . . . 71 LYS HB3 . 11145 1 835 . 1 1 71 71 LYS HD2 H 1 1.455 0.030 . 2 . . . . 71 LYS HD2 . 11145 1 836 . 1 1 71 71 LYS HD3 H 1 1.554 0.030 . 2 . . . . 71 LYS HD3 . 11145 1 837 . 1 1 71 71 LYS HE2 H 1 2.900 0.030 . 2 . . . . 71 LYS HE2 . 11145 1 838 . 1 1 71 71 LYS HG2 H 1 1.335 0.030 . 2 . . . . 71 LYS HG2 . 11145 1 839 . 1 1 71 71 LYS HG3 H 1 1.714 0.030 . 2 . . . . 71 LYS HG3 . 11145 1 840 . 1 1 71 71 LYS C C 13 178.437 0.300 . 1 . . . . 71 LYS C . 11145 1 841 . 1 1 71 71 LYS CA C 13 57.581 0.300 . 1 . . . . 71 LYS CA . 11145 1 842 . 1 1 71 71 LYS CB C 13 30.871 0.300 . 1 . . . . 71 LYS CB . 11145 1 843 . 1 1 71 71 LYS CD C 13 27.897 0.300 . 1 . . . . 71 LYS CD . 11145 1 844 . 1 1 71 71 LYS CE C 13 39.981 0.300 . 1 . . . . 71 LYS CE . 11145 1 845 . 1 1 71 71 LYS CG C 13 24.371 0.300 . 1 . . . . 71 LYS CG . 11145 1 846 . 1 1 71 71 LYS N N 15 116.339 0.300 . 1 . . . . 71 LYS N . 11145 1 847 . 1 1 72 72 ALA H H 1 7.445 0.030 . 1 . . . . 72 ALA H . 11145 1 848 . 1 1 72 72 ALA HA H 1 3.813 0.030 . 1 . . . . 72 ALA HA . 11145 1 849 . 1 1 72 72 ALA HB1 H 1 1.632 0.030 . 1 . . . . 72 ALA HB . 11145 1 850 . 1 1 72 72 ALA HB2 H 1 1.632 0.030 . 1 . . . . 72 ALA HB . 11145 1 851 . 1 1 72 72 ALA HB3 H 1 1.632 0.030 . 1 . . . . 72 ALA HB . 11145 1 852 . 1 1 72 72 ALA C C 13 175.883 0.300 . 1 . . . . 72 ALA C . 11145 1 853 . 1 1 72 72 ALA CA C 13 52.825 0.300 . 1 . . . . 72 ALA CA . 11145 1 854 . 1 1 72 72 ALA CB C 13 15.982 0.300 . 1 . . . . 72 ALA CB . 11145 1 855 . 1 1 72 72 ALA N N 15 120.588 0.300 . 1 . . . . 72 ALA N . 11145 1 856 . 1 1 73 73 TYR H H 1 8.734 0.030 . 1 . . . . 73 TYR H . 11145 1 857 . 1 1 73 73 TYR HA H 1 4.869 0.030 . 1 . . . . 73 TYR HA . 11145 1 858 . 1 1 73 73 TYR HB2 H 1 3.259 0.030 . 1 . . . . 73 TYR HB2 . 11145 1 859 . 1 1 73 73 TYR HB3 H 1 3.259 0.030 . 1 . . . . 73 TYR HB3 . 11145 1 860 . 1 1 73 73 TYR HD1 H 1 6.907 0.030 . 1 . . . . 73 TYR HD1 . 11145 1 861 . 1 1 73 73 TYR HD2 H 1 6.907 0.030 . 1 . . . . 73 TYR HD2 . 11145 1 862 . 1 1 73 73 TYR HE1 H 1 5.915 0.030 . 1 . . . . 73 TYR HE1 . 11145 1 863 . 1 1 73 73 TYR HE2 H 1 5.915 0.030 . 1 . . . . 73 TYR HE2 . 11145 1 864 . 1 1 73 73 TYR C C 13 178.602 0.300 . 1 . . . . 73 TYR C . 11145 1 865 . 1 1 73 73 TYR CA C 13 54.960 0.300 . 1 . . . . 73 TYR CA . 11145 1 866 . 1 1 73 73 TYR CB C 13 33.380 0.300 . 1 . . . . 73 TYR CB . 11145 1 867 . 1 1 73 73 TYR CD1 C 13 129.480 0.300 . 1 . . . . 73 TYR CD1 . 11145 1 868 . 1 1 73 73 TYR CD2 C 13 129.480 0.300 . 1 . . . . 73 TYR CD2 . 11145 1 869 . 1 1 73 73 TYR CE1 C 13 120.044 0.300 . 1 . . . . 73 TYR CE1 . 11145 1 870 . 1 1 73 73 TYR CE2 C 13 120.044 0.300 . 1 . . . . 73 TYR CE2 . 11145 1 871 . 1 1 73 73 TYR N N 15 116.853 0.300 . 1 . . . . 73 TYR N . 11145 1 872 . 1 1 74 74 ASP H H 1 9.256 0.030 . 1 . . . . 74 ASP H . 11145 1 873 . 1 1 74 74 ASP HA H 1 4.445 0.030 . 1 . . . . 74 ASP HA . 11145 1 874 . 1 1 74 74 ASP HB2 H 1 2.611 0.030 . 2 . . . . 74 ASP HB2 . 11145 1 875 . 1 1 74 74 ASP HB3 H 1 2.818 0.030 . 2 . . . . 74 ASP HB3 . 11145 1 876 . 1 1 74 74 ASP C C 13 177.462 0.300 . 1 . . . . 74 ASP C . 11145 1 877 . 1 1 74 74 ASP CA C 13 54.863 0.300 . 1 . . . . 74 ASP CA . 11145 1 878 . 1 1 74 74 ASP CB C 13 37.345 0.300 . 1 . . . . 74 ASP CB . 11145 1 879 . 1 1 74 74 ASP N N 15 120.868 0.300 . 1 . . . . 74 ASP N . 11145 1 880 . 1 1 75 75 GLY H H 1 7.965 0.030 . 1 . . . . 75 GLY H . 11145 1 881 . 1 1 75 75 GLY HA2 H 1 3.613 0.030 . 2 . . . . 75 GLY HA2 . 11145 1 882 . 1 1 75 75 GLY HA3 H 1 3.861 0.030 . 2 . . . . 75 GLY HA3 . 11145 1 883 . 1 1 75 75 GLY C C 13 174.383 0.300 . 1 . . . . 75 GLY C . 11145 1 884 . 1 1 75 75 GLY CA C 13 45.200 0.300 . 1 . . . . 75 GLY CA . 11145 1 885 . 1 1 75 75 GLY N N 15 110.713 0.300 . 1 . . . . 75 GLY N . 11145 1 886 . 1 1 76 76 PHE H H 1 9.023 0.030 . 1 . . . . 76 PHE H . 11145 1 887 . 1 1 76 76 PHE HA H 1 4.421 0.030 . 1 . . . . 76 PHE HA . 11145 1 888 . 1 1 76 76 PHE HB2 H 1 3.243 0.030 . 2 . . . . 76 PHE HB2 . 11145 1 889 . 1 1 76 76 PHE HB3 H 1 3.060 0.030 . 2 . . . . 76 PHE HB3 . 11145 1 890 . 1 1 76 76 PHE HD1 H 1 7.369 0.030 . 1 . . . . 76 PHE HD1 . 11145 1 891 . 1 1 76 76 PHE HD2 H 1 7.369 0.030 . 1 . . . . 76 PHE HD2 . 11145 1 892 . 1 1 76 76 PHE HE1 H 1 7.298 0.030 . 1 . . . . 76 PHE HE1 . 11145 1 893 . 1 1 76 76 PHE HE2 H 1 7.298 0.030 . 1 . . . . 76 PHE HE2 . 11145 1 894 . 1 1 76 76 PHE HZ H 1 7.557 0.030 . 1 . . . . 76 PHE HZ . 11145 1 895 . 1 1 76 76 PHE C C 13 176.030 0.300 . 1 . . . . 76 PHE C . 11145 1 896 . 1 1 76 76 PHE CA C 13 57.945 0.300 . 1 . . . . 76 PHE CA . 11145 1 897 . 1 1 76 76 PHE CB C 13 34.649 0.300 . 1 . . . . 76 PHE CB . 11145 1 898 . 1 1 76 76 PHE CD1 C 13 129.810 0.300 . 1 . . . . 76 PHE CD1 . 11145 1 899 . 1 1 76 76 PHE CD2 C 13 129.810 0.300 . 1 . . . . 76 PHE CD2 . 11145 1 900 . 1 1 76 76 PHE CE1 C 13 128.121 0.300 . 1 . . . . 76 PHE CE1 . 11145 1 901 . 1 1 76 76 PHE CE2 C 13 128.121 0.300 . 1 . . . . 76 PHE CE2 . 11145 1 902 . 1 1 76 76 PHE CZ C 13 127.803 0.300 . 1 . . . . 76 PHE CZ . 11145 1 903 . 1 1 76 76 PHE N N 15 120.841 0.300 . 1 . . . . 76 PHE N . 11145 1 904 . 1 1 77 77 ALA H H 1 8.672 0.030 . 1 . . . . 77 ALA H . 11145 1 905 . 1 1 77 77 ALA HA H 1 4.527 0.030 . 1 . . . . 77 ALA HA . 11145 1 906 . 1 1 77 77 ALA HB1 H 1 1.517 0.030 . 1 . . . . 77 ALA HB . 11145 1 907 . 1 1 77 77 ALA HB2 H 1 1.517 0.030 . 1 . . . . 77 ALA HB . 11145 1 908 . 1 1 77 77 ALA HB3 H 1 1.517 0.030 . 1 . . . . 77 ALA HB . 11145 1 909 . 1 1 77 77 ALA C C 13 179.874 0.300 . 1 . . . . 77 ALA C . 11145 1 910 . 1 1 77 77 ALA CA C 13 52.400 0.300 . 1 . . . . 77 ALA CA . 11145 1 911 . 1 1 77 77 ALA CB C 13 15.283 0.300 . 1 . . . . 77 ALA CB . 11145 1 912 . 1 1 77 77 ALA N N 15 122.239 0.300 . 1 . . . . 77 ALA N . 11145 1 913 . 1 1 78 78 SER H H 1 8.012 0.030 . 1 . . . . 78 SER H . 11145 1 914 . 1 1 78 78 SER HA H 1 4.277 0.030 . 1 . . . . 78 SER HA . 11145 1 915 . 1 1 78 78 SER HB2 H 1 4.070 0.030 . 1 . . . . 78 SER HB2 . 11145 1 916 . 1 1 78 78 SER HB3 H 1 4.070 0.030 . 1 . . . . 78 SER HB3 . 11145 1 917 . 1 1 78 78 SER C C 13 172.902 0.300 . 1 . . . . 78 SER C . 11145 1 918 . 1 1 78 78 SER CA C 13 59.252 0.300 . 1 . . . . 78 SER CA . 11145 1 919 . 1 1 78 78 SER CB C 13 60.641 0.300 . 1 . . . . 78 SER CB . 11145 1 920 . 1 1 78 78 SER N N 15 115.963 0.300 . 1 . . . . 78 SER N . 11145 1 921 . 1 1 79 79 ILE H H 1 7.045 0.030 . 1 . . . . 79 ILE H . 11145 1 922 . 1 1 79 79 ILE HA H 1 4.501 0.030 . 1 . . . . 79 ILE HA . 11145 1 923 . 1 1 79 79 ILE HB H 1 2.253 0.030 . 1 . . . . 79 ILE HB . 11145 1 924 . 1 1 79 79 ILE HD11 H 1 0.849 0.030 . 1 . . . . 79 ILE HD1 . 11145 1 925 . 1 1 79 79 ILE HD12 H 1 0.849 0.030 . 1 . . . . 79 ILE HD1 . 11145 1 926 . 1 1 79 79 ILE HD13 H 1 0.849 0.030 . 1 . . . . 79 ILE HD1 . 11145 1 927 . 1 1 79 79 ILE HG12 H 1 1.147 0.030 . 2 . . . . 79 ILE HG12 . 11145 1 928 . 1 1 79 79 ILE HG13 H 1 1.433 0.030 . 2 . . . . 79 ILE HG13 . 11145 1 929 . 1 1 79 79 ILE HG21 H 1 0.837 0.030 . 1 . . . . 79 ILE HG2 . 11145 1 930 . 1 1 79 79 ILE HG22 H 1 0.837 0.030 . 1 . . . . 79 ILE HG2 . 11145 1 931 . 1 1 79 79 ILE HG23 H 1 0.837 0.030 . 1 . . . . 79 ILE HG2 . 11145 1 932 . 1 1 79 79 ILE C C 13 173.326 0.300 . 1 . . . . 79 ILE C . 11145 1 933 . 1 1 79 79 ILE CA C 13 58.728 0.300 . 1 . . . . 79 ILE CA . 11145 1 934 . 1 1 79 79 ILE CB C 13 35.106 0.300 . 1 . . . . 79 ILE CB . 11145 1 935 . 1 1 79 79 ILE CD1 C 13 13.021 0.300 . 1 . . . . 79 ILE CD1 . 11145 1 936 . 1 1 79 79 ILE CG1 C 13 23.631 0.300 . 1 . . . . 79 ILE CG1 . 11145 1 937 . 1 1 79 79 ILE CG2 C 13 15.867 0.300 . 1 . . . . 79 ILE CG2 . 11145 1 938 . 1 1 79 79 ILE N N 15 113.637 0.300 . 1 . . . . 79 ILE N . 11145 1 939 . 1 1 80 80 GLY H H 1 7.368 0.030 . 1 . . . . 80 GLY H . 11145 1 940 . 1 1 80 80 GLY HA2 H 1 3.542 0.030 . 2 . . . . 80 GLY HA2 . 11145 1 941 . 1 1 80 80 GLY HA3 H 1 4.326 0.030 . 2 . . . . 80 GLY HA3 . 11145 1 942 . 1 1 80 80 GLY C C 13 171.847 0.300 . 1 . . . . 80 GLY C . 11145 1 943 . 1 1 80 80 GLY CA C 13 42.864 0.300 . 1 . . . . 80 GLY CA . 11145 1 944 . 1 1 80 80 GLY N N 15 105.784 0.300 . 1 . . . . 80 GLY N . 11145 1 945 . 1 1 81 81 ILE H H 1 7.809 0.030 . 1 . . . . 81 ILE H . 11145 1 946 . 1 1 81 81 ILE HA H 1 3.950 0.030 . 1 . . . . 81 ILE HA . 11145 1 947 . 1 1 81 81 ILE HB H 1 1.395 0.030 . 1 . . . . 81 ILE HB . 11145 1 948 . 1 1 81 81 ILE HD11 H 1 0.258 0.030 . 1 . . . . 81 ILE HD1 . 11145 1 949 . 1 1 81 81 ILE HD12 H 1 0.258 0.030 . 1 . . . . 81 ILE HD1 . 11145 1 950 . 1 1 81 81 ILE HD13 H 1 0.258 0.030 . 1 . . . . 81 ILE HD1 . 11145 1 951 . 1 1 81 81 ILE HG12 H 1 0.365 0.030 . 2 . . . . 81 ILE HG12 . 11145 1 952 . 1 1 81 81 ILE HG13 H 1 0.665 0.030 . 2 . . . . 81 ILE HG13 . 11145 1 953 . 1 1 81 81 ILE HG21 H 1 0.466 0.030 . 1 . . . . 81 ILE HG2 . 11145 1 954 . 1 1 81 81 ILE HG22 H 1 0.466 0.030 . 1 . . . . 81 ILE HG2 . 11145 1 955 . 1 1 81 81 ILE HG23 H 1 0.466 0.030 . 1 . . . . 81 ILE HG2 . 11145 1 956 . 1 1 81 81 ILE C C 13 173.181 0.300 . 1 . . . . 81 ILE C . 11145 1 957 . 1 1 81 81 ILE CA C 13 58.081 0.300 . 1 . . . . 81 ILE CA . 11145 1 958 . 1 1 81 81 ILE CB C 13 35.122 0.300 . 1 . . . . 81 ILE CB . 11145 1 959 . 1 1 81 81 ILE CD1 C 13 12.151 0.300 . 1 . . . . 81 ILE CD1 . 11145 1 960 . 1 1 81 81 ILE CG1 C 13 24.660 0.300 . 1 . . . . 81 ILE CG1 . 11145 1 961 . 1 1 81 81 ILE CG2 C 13 14.960 0.300 . 1 . . . . 81 ILE CG2 . 11145 1 962 . 1 1 81 81 ILE N N 15 122.953 0.300 . 1 . . . . 81 ILE N . 11145 1 963 . 1 1 82 82 SER H H 1 8.335 0.030 . 1 . . . . 82 SER H . 11145 1 964 . 1 1 82 82 SER HA H 1 4.106 0.030 . 1 . . . . 82 SER HA . 11145 1 965 . 1 1 82 82 SER HB2 H 1 3.695 0.030 . 2 . . . . 82 SER HB2 . 11145 1 966 . 1 1 82 82 SER HB3 H 1 3.768 0.030 . 2 . . . . 82 SER HB3 . 11145 1 967 . 1 1 82 82 SER C C 13 171.292 0.300 . 1 . . . . 82 SER C . 11145 1 968 . 1 1 82 82 SER CA C 13 57.348 0.300 . 1 . . . . 82 SER CA . 11145 1 969 . 1 1 82 82 SER CB C 13 61.158 0.300 . 1 . . . . 82 SER CB . 11145 1 970 . 1 1 82 82 SER N N 15 124.959 0.300 . 1 . . . . 82 SER N . 11145 1 971 . 1 1 83 83 ARG H H 1 8.294 0.030 . 1 . . . . 83 ARG H . 11145 1 972 . 1 1 83 83 ARG HA H 1 4.145 0.030 . 1 . . . . 83 ARG HA . 11145 1 973 . 1 1 83 83 ARG HB2 H 1 1.489 0.030 . 2 . . . . 83 ARG HB2 . 11145 1 974 . 1 1 83 83 ARG HB3 H 1 1.625 0.030 . 2 . . . . 83 ARG HB3 . 11145 1 975 . 1 1 83 83 ARG HD2 H 1 3.290 0.030 . 2 . . . . 83 ARG HD2 . 11145 1 976 . 1 1 83 83 ARG HD3 H 1 3.082 0.030 . 2 . . . . 83 ARG HD3 . 11145 1 977 . 1 1 83 83 ARG HG2 H 1 1.579 0.030 . 2 . . . . 83 ARG HG2 . 11145 1 978 . 1 1 83 83 ARG HG3 H 1 1.654 0.030 . 2 . . . . 83 ARG HG3 . 11145 1 979 . 1 1 83 83 ARG C C 13 174.470 0.300 . 1 . . . . 83 ARG C . 11145 1 980 . 1 1 83 83 ARG CA C 13 54.470 0.300 . 1 . . . . 83 ARG CA . 11145 1 981 . 1 1 83 83 ARG CB C 13 28.299 0.300 . 1 . . . . 83 ARG CB . 11145 1 982 . 1 1 83 83 ARG CD C 13 41.282 0.300 . 1 . . . . 83 ARG CD . 11145 1 983 . 1 1 83 83 ARG CG C 13 26.178 0.300 . 1 . . . . 83 ARG CG . 11145 1 984 . 1 1 83 83 ARG N N 15 121.278 0.300 . 1 . . . . 83 ARG N . 11145 1 985 . 1 1 84 84 LEU H H 1 6.575 0.030 . 1 . . . . 84 LEU H . 11145 1 986 . 1 1 84 84 LEU HA H 1 4.214 0.030 . 1 . . . . 84 LEU HA . 11145 1 987 . 1 1 84 84 LEU HB2 H 1 1.125 0.030 . 2 . . . . 84 LEU HB2 . 11145 1 988 . 1 1 84 84 LEU HB3 H 1 0.906 0.030 . 2 . . . . 84 LEU HB3 . 11145 1 989 . 1 1 84 84 LEU HD11 H 1 0.760 0.030 . 1 . . . . 84 LEU HD1 . 11145 1 990 . 1 1 84 84 LEU HD12 H 1 0.760 0.030 . 1 . . . . 84 LEU HD1 . 11145 1 991 . 1 1 84 84 LEU HD13 H 1 0.760 0.030 . 1 . . . . 84 LEU HD1 . 11145 1 992 . 1 1 84 84 LEU HD21 H 1 0.722 0.030 . 1 . . . . 84 LEU HD2 . 11145 1 993 . 1 1 84 84 LEU HD22 H 1 0.722 0.030 . 1 . . . . 84 LEU HD2 . 11145 1 994 . 1 1 84 84 LEU HD23 H 1 0.722 0.030 . 1 . . . . 84 LEU HD2 . 11145 1 995 . 1 1 84 84 LEU HG H 1 1.410 0.030 . 1 . . . . 84 LEU HG . 11145 1 996 . 1 1 84 84 LEU C C 13 173.071 0.300 . 1 . . . . 84 LEU C . 11145 1 997 . 1 1 84 84 LEU CA C 13 52.978 0.300 . 1 . . . . 84 LEU CA . 11145 1 998 . 1 1 84 84 LEU CB C 13 42.742 0.300 . 1 . . . . 84 LEU CB . 11145 1 999 . 1 1 84 84 LEU CD1 C 13 22.065 0.300 . 2 . . . . 84 LEU CD1 . 11145 1 1000 . 1 1 84 84 LEU CD2 C 13 21.285 0.300 . 2 . . . . 84 LEU CD2 . 11145 1 1001 . 1 1 84 84 LEU CG C 13 24.730 0.300 . 1 . . . . 84 LEU CG . 11145 1 1002 . 1 1 84 84 LEU N N 15 121.740 0.300 . 1 . . . . 84 LEU N . 11145 1 1003 . 1 1 85 85 LEU H H 1 6.749 0.030 . 1 . . . . 85 LEU H . 11145 1 1004 . 1 1 85 85 LEU HA H 1 4.123 0.030 . 1 . . . . 85 LEU HA . 11145 1 1005 . 1 1 85 85 LEU HB2 H 1 1.114 0.030 . 2 . . . . 85 LEU HB2 . 11145 1 1006 . 1 1 85 85 LEU HB3 H 1 0.409 0.030 . 2 . . . . 85 LEU HB3 . 11145 1 1007 . 1 1 85 85 LEU HD11 H 1 0.709 0.030 . 1 . . . . 85 LEU HD1 . 11145 1 1008 . 1 1 85 85 LEU HD12 H 1 0.709 0.030 . 1 . . . . 85 LEU HD1 . 11145 1 1009 . 1 1 85 85 LEU HD13 H 1 0.709 0.030 . 1 . . . . 85 LEU HD1 . 11145 1 1010 . 1 1 85 85 LEU HD21 H 1 0.511 0.030 . 1 . . . . 85 LEU HD2 . 11145 1 1011 . 1 1 85 85 LEU HD22 H 1 0.511 0.030 . 1 . . . . 85 LEU HD2 . 11145 1 1012 . 1 1 85 85 LEU HD23 H 1 0.511 0.030 . 1 . . . . 85 LEU HD2 . 11145 1 1013 . 1 1 85 85 LEU HG H 1 0.724 0.030 . 1 . . . . 85 LEU HG . 11145 1 1014 . 1 1 85 85 LEU C C 13 172.833 0.300 . 1 . . . . 85 LEU C . 11145 1 1015 . 1 1 85 85 LEU CA C 13 51.203 0.300 . 1 . . . . 85 LEU CA . 11145 1 1016 . 1 1 85 85 LEU CB C 13 41.710 0.300 . 1 . . . . 85 LEU CB . 11145 1 1017 . 1 1 85 85 LEU CD1 C 13 22.256 0.300 . 2 . . . . 85 LEU CD1 . 11145 1 1018 . 1 1 85 85 LEU CD2 C 13 24.789 0.300 . 2 . . . . 85 LEU CD2 . 11145 1 1019 . 1 1 85 85 LEU CG C 13 24.829 0.300 . 1 . . . . 85 LEU CG . 11145 1 1020 . 1 1 85 85 LEU N N 15 118.581 0.300 . 1 . . . . 85 LEU N . 11145 1 1021 . 1 1 86 86 GLU H H 1 8.650 0.030 . 1 . . . . 86 GLU H . 11145 1 1022 . 1 1 86 86 GLU HA H 1 4.878 0.030 . 1 . . . . 86 GLU HA . 11145 1 1023 . 1 1 86 86 GLU HB2 H 1 2.036 0.030 . 2 . . . . 86 GLU HB2 . 11145 1 1024 . 1 1 86 86 GLU HB3 H 1 1.785 0.030 . 2 . . . . 86 GLU HB3 . 11145 1 1025 . 1 1 86 86 GLU HG2 H 1 2.181 0.030 . 1 . . . . 86 GLU HG2 . 11145 1 1026 . 1 1 86 86 GLU HG3 H 1 2.181 0.030 . 1 . . . . 86 GLU HG3 . 11145 1 1027 . 1 1 86 86 GLU C C 13 174.145 0.300 . 1 . . . . 86 GLU C . 11145 1 1028 . 1 1 86 86 GLU CA C 13 49.888 0.300 . 1 . . . . 86 GLU CA . 11145 1 1029 . 1 1 86 86 GLU CB C 13 28.658 0.300 . 1 . . . . 86 GLU CB . 11145 1 1030 . 1 1 86 86 GLU CG C 13 33.162 0.300 . 1 . . . . 86 GLU CG . 11145 1 1031 . 1 1 86 86 GLU N N 15 121.172 0.300 . 1 . . . . 86 GLU N . 11145 1 1032 . 1 1 87 87 PRO HA H 1 4.001 0.030 . 1 . . . . 87 PRO HA . 11145 1 1033 . 1 1 87 87 PRO HB2 H 1 2.620 0.030 . 2 . . . . 87 PRO HB2 . 11145 1 1034 . 1 1 87 87 PRO HB3 H 1 2.030 0.030 . 2 . . . . 87 PRO HB3 . 11145 1 1035 . 1 1 87 87 PRO HD2 H 1 3.994 0.030 . 2 . . . . 87 PRO HD2 . 11145 1 1036 . 1 1 87 87 PRO HD3 H 1 4.129 0.030 . 2 . . . . 87 PRO HD3 . 11145 1 1037 . 1 1 87 87 PRO HG2 H 1 1.653 0.030 . 2 . . . . 87 PRO HG2 . 11145 1 1038 . 1 1 87 87 PRO HG3 H 1 2.169 0.030 . 2 . . . . 87 PRO HG3 . 11145 1 1039 . 1 1 87 87 PRO C C 13 175.584 0.300 . 1 . . . . 87 PRO C . 11145 1 1040 . 1 1 87 87 PRO CA C 13 64.337 0.300 . 1 . . . . 87 PRO CA . 11145 1 1041 . 1 1 87 87 PRO CB C 13 30.369 0.300 . 1 . . . . 87 PRO CB . 11145 1 1042 . 1 1 87 87 PRO CD C 13 48.693 0.300 . 1 . . . . 87 PRO CD . 11145 1 1043 . 1 1 87 87 PRO CG C 13 25.706 0.300 . 1 . . . . 87 PRO CG . 11145 1 1044 . 1 1 88 88 SER H H 1 8.603 0.030 . 1 . . . . 88 SER H . 11145 1 1045 . 1 1 88 88 SER HA H 1 3.954 0.030 . 1 . . . . 88 SER HA . 11145 1 1046 . 1 1 88 88 SER HB2 H 1 3.925 0.030 . 2 . . . . 88 SER HB2 . 11145 1 1047 . 1 1 88 88 SER HB3 H 1 3.832 0.030 . 2 . . . . 88 SER HB3 . 11145 1 1048 . 1 1 88 88 SER C C 13 174.183 0.300 . 1 . . . . 88 SER C . 11145 1 1049 . 1 1 88 88 SER CA C 13 59.331 0.300 . 1 . . . . 88 SER CA . 11145 1 1050 . 1 1 88 88 SER CB C 13 60.135 0.300 . 1 . . . . 88 SER CB . 11145 1 1051 . 1 1 88 88 SER N N 15 108.701 0.300 . 1 . . . . 88 SER N . 11145 1 1052 . 1 1 89 89 ASP H H 1 7.711 0.030 . 1 . . . . 89 ASP H . 11145 1 1053 . 1 1 89 89 ASP HA H 1 4.471 0.030 . 1 . . . . 89 ASP HA . 11145 1 1054 . 1 1 89 89 ASP HB2 H 1 2.676 0.030 . 2 . . . . 89 ASP HB2 . 11145 1 1055 . 1 1 89 89 ASP HB3 H 1 3.010 0.030 . 2 . . . . 89 ASP HB3 . 11145 1 1056 . 1 1 89 89 ASP C C 13 175.703 0.300 . 1 . . . . 89 ASP C . 11145 1 1057 . 1 1 89 89 ASP CA C 13 55.150 0.300 . 1 . . . . 89 ASP CA . 11145 1 1058 . 1 1 89 89 ASP CB C 13 37.987 0.300 . 1 . . . . 89 ASP CB . 11145 1 1059 . 1 1 89 89 ASP N N 15 122.230 0.300 . 1 . . . . 89 ASP N . 11145 1 1060 . 1 1 90 90 MET H H 1 7.228 0.030 . 1 . . . . 90 MET H . 11145 1 1061 . 1 1 90 90 MET HA H 1 4.264 0.030 . 1 . . . . 90 MET HA . 11145 1 1062 . 1 1 90 90 MET HB2 H 1 2.494 0.030 . 2 . . . . 90 MET HB2 . 11145 1 1063 . 1 1 90 90 MET HB3 H 1 2.216 0.030 . 2 . . . . 90 MET HB3 . 11145 1 1064 . 1 1 90 90 MET HE1 H 1 2.360 0.030 . 1 . . . . 90 MET HE . 11145 1 1065 . 1 1 90 90 MET HE2 H 1 2.360 0.030 . 1 . . . . 90 MET HE . 11145 1 1066 . 1 1 90 90 MET HE3 H 1 2.360 0.030 . 1 . . . . 90 MET HE . 11145 1 1067 . 1 1 90 90 MET HG2 H 1 3.000 0.030 . 2 . . . . 90 MET HG2 . 11145 1 1068 . 1 1 90 90 MET HG3 H 1 2.836 0.030 . 2 . . . . 90 MET HG3 . 11145 1 1069 . 1 1 90 90 MET C C 13 174.407 0.300 . 1 . . . . 90 MET C . 11145 1 1070 . 1 1 90 90 MET CA C 13 54.036 0.300 . 1 . . . . 90 MET CA . 11145 1 1071 . 1 1 90 90 MET CB C 13 30.169 0.300 . 1 . . . . 90 MET CB . 11145 1 1072 . 1 1 90 90 MET CE C 13 16.039 0.300 . 1 . . . . 90 MET CE . 11145 1 1073 . 1 1 90 90 MET CG C 13 30.767 0.300 . 1 . . . . 90 MET CG . 11145 1 1074 . 1 1 90 90 MET N N 15 113.989 0.300 . 1 . . . . 90 MET N . 11145 1 1075 . 1 1 91 91 VAL H H 1 7.004 0.030 . 1 . . . . 91 VAL H . 11145 1 1076 . 1 1 91 91 VAL HA H 1 3.643 0.030 . 1 . . . . 91 VAL HA . 11145 1 1077 . 1 1 91 91 VAL HB H 1 2.132 0.030 . 1 . . . . 91 VAL HB . 11145 1 1078 . 1 1 91 91 VAL HG11 H 1 0.897 0.030 . 1 . . . . 91 VAL HG1 . 11145 1 1079 . 1 1 91 91 VAL HG12 H 1 0.897 0.030 . 1 . . . . 91 VAL HG1 . 11145 1 1080 . 1 1 91 91 VAL HG13 H 1 0.897 0.030 . 1 . . . . 91 VAL HG1 . 11145 1 1081 . 1 1 91 91 VAL HG21 H 1 0.950 0.030 . 1 . . . . 91 VAL HG2 . 11145 1 1082 . 1 1 91 91 VAL HG22 H 1 0.950 0.030 . 1 . . . . 91 VAL HG2 . 11145 1 1083 . 1 1 91 91 VAL HG23 H 1 0.950 0.030 . 1 . . . . 91 VAL HG2 . 11145 1 1084 . 1 1 91 91 VAL C C 13 175.376 0.300 . 1 . . . . 91 VAL C . 11145 1 1085 . 1 1 91 91 VAL CA C 13 62.518 0.300 . 1 . . . . 91 VAL CA . 11145 1 1086 . 1 1 91 91 VAL CB C 13 30.176 0.300 . 1 . . . . 91 VAL CB . 11145 1 1087 . 1 1 91 91 VAL CG1 C 13 19.056 0.300 . 2 . . . . 91 VAL CG1 . 11145 1 1088 . 1 1 91 91 VAL CG2 C 13 19.970 0.300 . 2 . . . . 91 VAL CG2 . 11145 1 1089 . 1 1 91 91 VAL N N 15 114.282 0.300 . 1 . . . . 91 VAL N . 11145 1 1090 . 1 1 92 92 LEU H H 1 7.496 0.030 . 1 . . . . 92 LEU H . 11145 1 1091 . 1 1 92 92 LEU HA H 1 4.071 0.030 . 1 . . . . 92 LEU HA . 11145 1 1092 . 1 1 92 92 LEU HB2 H 1 1.552 0.030 . 2 . . . . 92 LEU HB2 . 11145 1 1093 . 1 1 92 92 LEU HB3 H 1 1.734 0.030 . 2 . . . . 92 LEU HB3 . 11145 1 1094 . 1 1 92 92 LEU HD11 H 1 0.856 0.030 . 1 . . . . 92 LEU HD1 . 11145 1 1095 . 1 1 92 92 LEU HD12 H 1 0.856 0.030 . 1 . . . . 92 LEU HD1 . 11145 1 1096 . 1 1 92 92 LEU HD13 H 1 0.856 0.030 . 1 . . . . 92 LEU HD1 . 11145 1 1097 . 1 1 92 92 LEU HD21 H 1 0.827 0.030 . 1 . . . . 92 LEU HD2 . 11145 1 1098 . 1 1 92 92 LEU HD22 H 1 0.827 0.030 . 1 . . . . 92 LEU HD2 . 11145 1 1099 . 1 1 92 92 LEU HD23 H 1 0.827 0.030 . 1 . . . . 92 LEU HD2 . 11145 1 1100 . 1 1 92 92 LEU HG H 1 1.664 0.030 . 1 . . . . 92 LEU HG . 11145 1 1101 . 1 1 92 92 LEU C C 13 175.327 0.300 . 1 . . . . 92 LEU C . 11145 1 1102 . 1 1 92 92 LEU CA C 13 54.533 0.300 . 1 . . . . 92 LEU CA . 11145 1 1103 . 1 1 92 92 LEU CB C 13 41.221 0.300 . 1 . . . . 92 LEU CB . 11145 1 1104 . 1 1 92 92 LEU CD1 C 13 22.422 0.300 . 2 . . . . 92 LEU CD1 . 11145 1 1105 . 1 1 92 92 LEU CD2 C 13 20.986 0.300 . 2 . . . . 92 LEU CD2 . 11145 1 1106 . 1 1 92 92 LEU CG C 13 24.574 0.300 . 1 . . . . 92 LEU CG . 11145 1 1107 . 1 1 92 92 LEU N N 15 118.303 0.300 . 1 . . . . 92 LEU N . 11145 1 1108 . 1 1 93 93 LEU H H 1 7.782 0.030 . 1 . . . . 93 LEU H . 11145 1 1109 . 1 1 93 93 LEU HA H 1 4.335 0.030 . 1 . . . . 93 LEU HA . 11145 1 1110 . 1 1 93 93 LEU HB2 H 1 1.212 0.030 . 2 . . . . 93 LEU HB2 . 11145 1 1111 . 1 1 93 93 LEU HB3 H 1 1.720 0.030 . 2 . . . . 93 LEU HB3 . 11145 1 1112 . 1 1 93 93 LEU HD11 H 1 0.862 0.030 . 1 . . . . 93 LEU HD1 . 11145 1 1113 . 1 1 93 93 LEU HD12 H 1 0.862 0.030 . 1 . . . . 93 LEU HD1 . 11145 1 1114 . 1 1 93 93 LEU HD13 H 1 0.862 0.030 . 1 . . . . 93 LEU HD1 . 11145 1 1115 . 1 1 93 93 LEU HD21 H 1 0.813 0.030 . 1 . . . . 93 LEU HD2 . 11145 1 1116 . 1 1 93 93 LEU HD22 H 1 0.813 0.030 . 1 . . . . 93 LEU HD2 . 11145 1 1117 . 1 1 93 93 LEU HD23 H 1 0.813 0.030 . 1 . . . . 93 LEU HD2 . 11145 1 1118 . 1 1 93 93 LEU HG H 1 1.695 0.030 . 1 . . . . 93 LEU HG . 11145 1 1119 . 1 1 93 93 LEU C C 13 173.972 0.300 . 1 . . . . 93 LEU C . 11145 1 1120 . 1 1 93 93 LEU CA C 13 51.774 0.300 . 1 . . . . 93 LEU CA . 11145 1 1121 . 1 1 93 93 LEU CB C 13 39.884 0.300 . 1 . . . . 93 LEU CB . 11145 1 1122 . 1 1 93 93 LEU CD1 C 13 23.151 0.300 . 2 . . . . 93 LEU CD1 . 11145 1 1123 . 1 1 93 93 LEU CD2 C 13 20.613 0.300 . 2 . . . . 93 LEU CD2 . 11145 1 1124 . 1 1 93 93 LEU CG C 13 24.600 0.300 . 1 . . . . 93 LEU CG . 11145 1 1125 . 1 1 93 93 LEU N N 15 118.907 0.300 . 1 . . . . 93 LEU N . 11145 1 1126 . 1 1 94 94 ALA H H 1 8.080 0.030 . 1 . . . . 94 ALA H . 11145 1 1127 . 1 1 94 94 ALA HA H 1 3.962 0.030 . 1 . . . . 94 ALA HA . 11145 1 1128 . 1 1 94 94 ALA HB1 H 1 1.362 0.030 . 1 . . . . 94 ALA HB . 11145 1 1129 . 1 1 94 94 ALA HB2 H 1 1.362 0.030 . 1 . . . . 94 ALA HB . 11145 1 1130 . 1 1 94 94 ALA HB3 H 1 1.362 0.030 . 1 . . . . 94 ALA HB . 11145 1 1131 . 1 1 94 94 ALA C C 13 175.675 0.300 . 1 . . . . 94 ALA C . 11145 1 1132 . 1 1 94 94 ALA CA C 13 51.782 0.300 . 1 . . . . 94 ALA CA . 11145 1 1133 . 1 1 94 94 ALA CB C 13 16.469 0.300 . 1 . . . . 94 ALA CB . 11145 1 1134 . 1 1 94 94 ALA N N 15 123.210 0.300 . 1 . . . . 94 ALA N . 11145 1 1135 . 1 1 95 95 ILE H H 1 7.608 0.030 . 1 . . . . 95 ILE H . 11145 1 1136 . 1 1 95 95 ILE HA H 1 4.391 0.030 . 1 . . . . 95 ILE HA . 11145 1 1137 . 1 1 95 95 ILE HB H 1 1.847 0.030 . 1 . . . . 95 ILE HB . 11145 1 1138 . 1 1 95 95 ILE HD11 H 1 0.835 0.030 . 1 . . . . 95 ILE HD1 . 11145 1 1139 . 1 1 95 95 ILE HD12 H 1 0.835 0.030 . 1 . . . . 95 ILE HD1 . 11145 1 1140 . 1 1 95 95 ILE HD13 H 1 0.835 0.030 . 1 . . . . 95 ILE HD1 . 11145 1 1141 . 1 1 95 95 ILE HG12 H 1 1.448 0.030 . 2 . . . . 95 ILE HG12 . 11145 1 1142 . 1 1 95 95 ILE HG13 H 1 1.038 0.030 . 2 . . . . 95 ILE HG13 . 11145 1 1143 . 1 1 95 95 ILE HG21 H 1 0.982 0.030 . 1 . . . . 95 ILE HG2 . 11145 1 1144 . 1 1 95 95 ILE HG22 H 1 0.982 0.030 . 1 . . . . 95 ILE HG2 . 11145 1 1145 . 1 1 95 95 ILE HG23 H 1 0.982 0.030 . 1 . . . . 95 ILE HG2 . 11145 1 1146 . 1 1 95 95 ILE C C 13 170.775 0.300 . 1 . . . . 95 ILE C . 11145 1 1147 . 1 1 95 95 ILE CA C 13 55.456 0.300 . 1 . . . . 95 ILE CA . 11145 1 1148 . 1 1 95 95 ILE CB C 13 37.291 0.300 . 1 . . . . 95 ILE CB . 11145 1 1149 . 1 1 95 95 ILE CD1 C 13 10.536 0.300 . 1 . . . . 95 ILE CD1 . 11145 1 1150 . 1 1 95 95 ILE CG1 C 13 24.531 0.300 . 1 . . . . 95 ILE CG1 . 11145 1 1151 . 1 1 95 95 ILE CG2 C 13 15.220 0.300 . 1 . . . . 95 ILE CG2 . 11145 1 1152 . 1 1 95 95 ILE N N 15 114.240 0.300 . 1 . . . . 95 ILE N . 11145 1 1153 . 1 1 96 96 PRO HA H 1 4.276 0.030 . 1 . . . . 96 PRO HA . 11145 1 1154 . 1 1 96 96 PRO HB2 H 1 2.124 0.030 . 2 . . . . 96 PRO HB2 . 11145 1 1155 . 1 1 96 96 PRO HB3 H 1 1.622 0.030 . 2 . . . . 96 PRO HB3 . 11145 1 1156 . 1 1 96 96 PRO HD2 H 1 3.058 0.030 . 2 . . . . 96 PRO HD2 . 11145 1 1157 . 1 1 96 96 PRO HD3 H 1 3.822 0.030 . 2 . . . . 96 PRO HD3 . 11145 1 1158 . 1 1 96 96 PRO HG2 H 1 1.896 0.030 . 2 . . . . 96 PRO HG2 . 11145 1 1159 . 1 1 96 96 PRO HG3 H 1 2.018 0.030 . 2 . . . . 96 PRO HG3 . 11145 1 1160 . 1 1 96 96 PRO C C 13 171.767 0.300 . 1 . . . . 96 PRO C . 11145 1 1161 . 1 1 96 96 PRO CA C 13 60.044 0.300 . 1 . . . . 96 PRO CA . 11145 1 1162 . 1 1 96 96 PRO CB C 13 30.637 0.300 . 1 . . . . 96 PRO CB . 11145 1 1163 . 1 1 96 96 PRO CD C 13 48.441 0.300 . 1 . . . . 96 PRO CD . 11145 1 1164 . 1 1 96 96 PRO CG C 13 25.476 0.300 . 1 . . . . 96 PRO CG . 11145 1 1165 . 1 1 97 97 ASP H H 1 8.550 0.030 . 1 . . . . 97 ASP H . 11145 1 1166 . 1 1 97 97 ASP HA H 1 4.363 0.030 . 1 . . . . 97 ASP HA . 11145 1 1167 . 1 1 97 97 ASP HB2 H 1 2.664 0.030 . 2 . . . . 97 ASP HB2 . 11145 1 1168 . 1 1 97 97 ASP HB3 H 1 2.566 0.030 . 2 . . . . 97 ASP HB3 . 11145 1 1169 . 1 1 97 97 ASP C C 13 172.772 0.300 . 1 . . . . 97 ASP C . 11145 1 1170 . 1 1 97 97 ASP CA C 13 52.578 0.300 . 1 . . . . 97 ASP CA . 11145 1 1171 . 1 1 97 97 ASP CB C 13 40.053 0.300 . 1 . . . . 97 ASP CB . 11145 1 1172 . 1 1 97 97 ASP N N 15 119.778 0.300 . 1 . . . . 97 ASP N . 11145 1 1173 . 1 1 98 98 LYS H H 1 8.208 0.030 . 1 . . . . 98 LYS H . 11145 1 1174 . 1 1 98 98 LYS HA H 1 4.078 0.030 . 1 . . . . 98 LYS HA . 11145 1 1175 . 1 1 98 98 LYS HB2 H 1 1.663 0.030 . 1 . . . . 98 LYS HB2 . 11145 1 1176 . 1 1 98 98 LYS HB3 H 1 1.663 0.030 . 1 . . . . 98 LYS HB3 . 11145 1 1177 . 1 1 98 98 LYS HD2 H 1 1.788 0.030 . 2 . . . . 98 LYS HD2 . 11145 1 1178 . 1 1 98 98 LYS HD3 H 1 1.638 0.030 . 2 . . . . 98 LYS HD3 . 11145 1 1179 . 1 1 98 98 LYS HE2 H 1 3.051 0.030 . 2 . . . . 98 LYS HE2 . 11145 1 1180 . 1 1 98 98 LYS HE3 H 1 3.004 0.030 . 2 . . . . 98 LYS HE3 . 11145 1 1181 . 1 1 98 98 LYS HG2 H 1 1.179 0.030 . 2 . . . . 98 LYS HG2 . 11145 1 1182 . 1 1 98 98 LYS HG3 H 1 1.397 0.030 . 2 . . . . 98 LYS HG3 . 11145 1 1183 . 1 1 98 98 LYS C C 13 175.191 0.300 . 1 . . . . 98 LYS C . 11145 1 1184 . 1 1 98 98 LYS CA C 13 56.644 0.300 . 1 . . . . 98 LYS CA . 11145 1 1185 . 1 1 98 98 LYS CB C 13 30.957 0.300 . 1 . . . . 98 LYS CB . 11145 1 1186 . 1 1 98 98 LYS CD C 13 27.752 0.300 . 1 . . . . 98 LYS CD . 11145 1 1187 . 1 1 98 98 LYS CE C 13 39.938 0.300 . 1 . . . . 98 LYS CE . 11145 1 1188 . 1 1 98 98 LYS CG C 13 22.242 0.300 . 1 . . . . 98 LYS CG . 11145 1 1189 . 1 1 98 98 LYS N N 15 129.329 0.300 . 1 . . . . 98 LYS N . 11145 1 1190 . 1 1 99 99 LEU H H 1 8.114 0.030 . 1 . . . . 99 LEU H . 11145 1 1191 . 1 1 99 99 LEU HA H 1 3.955 0.030 . 1 . . . . 99 LEU HA . 11145 1 1192 . 1 1 99 99 LEU HB2 H 1 1.650 0.030 . 1 . . . . 99 LEU HB2 . 11145 1 1193 . 1 1 99 99 LEU HB3 H 1 1.650 0.030 . 1 . . . . 99 LEU HB3 . 11145 1 1194 . 1 1 99 99 LEU HD11 H 1 0.804 0.030 . 1 . . . . 99 LEU HD1 . 11145 1 1195 . 1 1 99 99 LEU HD12 H 1 0.804 0.030 . 1 . . . . 99 LEU HD1 . 11145 1 1196 . 1 1 99 99 LEU HD13 H 1 0.804 0.030 . 1 . . . . 99 LEU HD1 . 11145 1 1197 . 1 1 99 99 LEU HD21 H 1 0.832 0.030 . 1 . . . . 99 LEU HD2 . 11145 1 1198 . 1 1 99 99 LEU HD22 H 1 0.832 0.030 . 1 . . . . 99 LEU HD2 . 11145 1 1199 . 1 1 99 99 LEU HD23 H 1 0.832 0.030 . 1 . . . . 99 LEU HD2 . 11145 1 1200 . 1 1 99 99 LEU HG H 1 1.484 0.030 . 1 . . . . 99 LEU HG . 11145 1 1201 . 1 1 99 99 LEU C C 13 178.118 0.300 . 1 . . . . 99 LEU C . 11145 1 1202 . 1 1 99 99 LEU CA C 13 55.700 0.300 . 1 . . . . 99 LEU CA . 11145 1 1203 . 1 1 99 99 LEU CB C 13 38.472 0.300 . 1 . . . . 99 LEU CB . 11145 1 1204 . 1 1 99 99 LEU CD1 C 13 21.987 0.300 . 2 . . . . 99 LEU CD1 . 11145 1 1205 . 1 1 99 99 LEU CD2 C 13 21.510 0.300 . 2 . . . . 99 LEU CD2 . 11145 1 1206 . 1 1 99 99 LEU CG C 13 25.017 0.300 . 1 . . . . 99 LEU CG . 11145 1 1207 . 1 1 99 99 LEU N N 15 116.931 0.300 . 1 . . . . 99 LEU N . 11145 1 1208 . 1 1 100 100 THR H H 1 7.916 0.030 . 1 . . . . 100 THR H . 11145 1 1209 . 1 1 100 100 THR HA H 1 3.691 0.030 . 1 . . . . 100 THR HA . 11145 1 1210 . 1 1 100 100 THR HB H 1 4.098 0.030 . 1 . . . . 100 THR HB . 11145 1 1211 . 1 1 100 100 THR HG21 H 1 1.012 0.030 . 1 . . . . 100 THR HG2 . 11145 1 1212 . 1 1 100 100 THR HG22 H 1 1.012 0.030 . 1 . . . . 100 THR HG2 . 11145 1 1213 . 1 1 100 100 THR HG23 H 1 1.012 0.030 . 1 . . . . 100 THR HG2 . 11145 1 1214 . 1 1 100 100 THR C C 13 173.377 0.300 . 1 . . . . 100 THR C . 11145 1 1215 . 1 1 100 100 THR CA C 13 65.118 0.300 . 1 . . . . 100 THR CA . 11145 1 1216 . 1 1 100 100 THR CB C 13 65.831 0.300 . 1 . . . . 100 THR CB . 11145 1 1217 . 1 1 100 100 THR CG2 C 13 20.246 0.300 . 1 . . . . 100 THR CG2 . 11145 1 1218 . 1 1 100 100 THR N N 15 118.767 0.300 . 1 . . . . 100 THR N . 11145 1 1219 . 1 1 101 101 VAL H H 1 8.172 0.030 . 1 . . . . 101 VAL H . 11145 1 1220 . 1 1 101 101 VAL HA H 1 3.337 0.030 . 1 . . . . 101 VAL HA . 11145 1 1221 . 1 1 101 101 VAL HB H 1 2.320 0.030 . 1 . . . . 101 VAL HB . 11145 1 1222 . 1 1 101 101 VAL HG11 H 1 0.295 0.030 . 1 . . . . 101 VAL HG1 . 11145 1 1223 . 1 1 101 101 VAL HG12 H 1 0.295 0.030 . 1 . . . . 101 VAL HG1 . 11145 1 1224 . 1 1 101 101 VAL HG13 H 1 0.295 0.030 . 1 . . . . 101 VAL HG1 . 11145 1 1225 . 1 1 101 101 VAL HG21 H 1 0.944 0.030 . 1 . . . . 101 VAL HG2 . 11145 1 1226 . 1 1 101 101 VAL HG22 H 1 0.944 0.030 . 1 . . . . 101 VAL HG2 . 11145 1 1227 . 1 1 101 101 VAL HG23 H 1 0.944 0.030 . 1 . . . . 101 VAL HG2 . 11145 1 1228 . 1 1 101 101 VAL C C 13 175.664 0.300 . 1 . . . . 101 VAL C . 11145 1 1229 . 1 1 101 101 VAL CA C 13 65.896 0.300 . 1 . . . . 101 VAL CA . 11145 1 1230 . 1 1 101 101 VAL CB C 13 29.448 0.300 . 1 . . . . 101 VAL CB . 11145 1 1231 . 1 1 101 101 VAL CG1 C 13 19.560 0.300 . 2 . . . . 101 VAL CG1 . 11145 1 1232 . 1 1 101 101 VAL CG2 C 13 20.948 0.300 . 2 . . . . 101 VAL CG2 . 11145 1 1233 . 1 1 101 101 VAL N N 15 121.801 0.300 . 1 . . . . 101 VAL N . 11145 1 1234 . 1 1 102 102 MET H H 1 8.459 0.030 . 1 . . . . 102 MET H . 11145 1 1235 . 1 1 102 102 MET HA H 1 3.078 0.030 . 1 . . . . 102 MET HA . 11145 1 1236 . 1 1 102 102 MET HB2 H 1 1.515 0.030 . 2 . . . . 102 MET HB2 . 11145 1 1237 . 1 1 102 102 MET HB3 H 1 1.693 0.030 . 2 . . . . 102 MET HB3 . 11145 1 1238 . 1 1 102 102 MET HE1 H 1 1.650 0.030 . 1 . . . . 102 MET HE . 11145 1 1239 . 1 1 102 102 MET HE2 H 1 1.650 0.030 . 1 . . . . 102 MET HE . 11145 1 1240 . 1 1 102 102 MET HE3 H 1 1.650 0.030 . 1 . . . . 102 MET HE . 11145 1 1241 . 1 1 102 102 MET HG2 H 1 2.203 0.030 . 2 . . . . 102 MET HG2 . 11145 1 1242 . 1 1 102 102 MET HG3 H 1 0.769 0.030 . 2 . . . . 102 MET HG3 . 11145 1 1243 . 1 1 102 102 MET C C 13 174.588 0.300 . 1 . . . . 102 MET C . 11145 1 1244 . 1 1 102 102 MET CA C 13 58.224 0.300 . 1 . . . . 102 MET CA . 11145 1 1245 . 1 1 102 102 MET CB C 13 30.846 0.300 . 1 . . . . 102 MET CB . 11145 1 1246 . 1 1 102 102 MET CE C 13 13.908 0.300 . 1 . . . . 102 MET CE . 11145 1 1247 . 1 1 102 102 MET CG C 13 29.531 0.300 . 1 . . . . 102 MET CG . 11145 1 1248 . 1 1 102 102 MET N N 15 114.975 0.300 . 1 . . . . 102 MET N . 11145 1 1249 . 1 1 103 103 THR H H 1 8.051 0.030 . 1 . . . . 103 THR H . 11145 1 1250 . 1 1 103 103 THR HA H 1 3.758 0.030 . 1 . . . . 103 THR HA . 11145 1 1251 . 1 1 103 103 THR HB H 1 4.158 0.030 . 1 . . . . 103 THR HB . 11145 1 1252 . 1 1 103 103 THR HG21 H 1 1.097 0.030 . 1 . . . . 103 THR HG2 . 11145 1 1253 . 1 1 103 103 THR HG22 H 1 1.097 0.030 . 1 . . . . 103 THR HG2 . 11145 1 1254 . 1 1 103 103 THR HG23 H 1 1.097 0.030 . 1 . . . . 103 THR HG2 . 11145 1 1255 . 1 1 103 103 THR C C 13 173.664 0.300 . 1 . . . . 103 THR C . 11145 1 1256 . 1 1 103 103 THR CA C 13 65.299 0.300 . 1 . . . . 103 THR CA . 11145 1 1257 . 1 1 103 103 THR CB C 13 66.521 0.300 . 1 . . . . 103 THR CB . 11145 1 1258 . 1 1 103 103 THR CG2 C 13 18.823 0.300 . 1 . . . . 103 THR CG2 . 11145 1 1259 . 1 1 103 103 THR N N 15 114.741 0.300 . 1 . . . . 103 THR N . 11145 1 1260 . 1 1 104 104 TYR H H 1 8.013 0.030 . 1 . . . . 104 TYR H . 11145 1 1261 . 1 1 104 104 TYR HA H 1 4.159 0.030 . 1 . . . . 104 TYR HA . 11145 1 1262 . 1 1 104 104 TYR HB2 H 1 2.948 0.030 . 2 . . . . 104 TYR HB2 . 11145 1 1263 . 1 1 104 104 TYR HB3 H 1 2.893 0.030 . 2 . . . . 104 TYR HB3 . 11145 1 1264 . 1 1 104 104 TYR HD1 H 1 6.709 0.030 . 1 . . . . 104 TYR HD1 . 11145 1 1265 . 1 1 104 104 TYR HD2 H 1 6.709 0.030 . 1 . . . . 104 TYR HD2 . 11145 1 1266 . 1 1 104 104 TYR HE1 H 1 6.389 0.030 . 1 . . . . 104 TYR HE1 . 11145 1 1267 . 1 1 104 104 TYR HE2 H 1 6.389 0.030 . 1 . . . . 104 TYR HE2 . 11145 1 1268 . 1 1 104 104 TYR C C 13 175.179 0.300 . 1 . . . . 104 TYR C . 11145 1 1269 . 1 1 104 104 TYR CA C 13 57.411 0.300 . 1 . . . . 104 TYR CA . 11145 1 1270 . 1 1 104 104 TYR CB C 13 36.802 0.300 . 1 . . . . 104 TYR CB . 11145 1 1271 . 1 1 104 104 TYR CD1 C 13 129.752 0.300 . 1 . . . . 104 TYR CD1 . 11145 1 1272 . 1 1 104 104 TYR CD2 C 13 129.752 0.300 . 1 . . . . 104 TYR CD2 . 11145 1 1273 . 1 1 104 104 TYR CE1 C 13 115.342 0.300 . 1 . . . . 104 TYR CE1 . 11145 1 1274 . 1 1 104 104 TYR CE2 C 13 115.342 0.300 . 1 . . . . 104 TYR CE2 . 11145 1 1275 . 1 1 104 104 TYR N N 15 122.502 0.300 . 1 . . . . 104 TYR N . 11145 1 1276 . 1 1 105 105 LEU H H 1 8.212 0.030 . 1 . . . . 105 LEU H . 11145 1 1277 . 1 1 105 105 LEU HA H 1 3.748 0.030 . 1 . . . . 105 LEU HA . 11145 1 1278 . 1 1 105 105 LEU HB2 H 1 1.640 0.030 . 2 . . . . 105 LEU HB2 . 11145 1 1279 . 1 1 105 105 LEU HB3 H 1 0.948 0.030 . 2 . . . . 105 LEU HB3 . 11145 1 1280 . 1 1 105 105 LEU HD11 H 1 -0.172 0.030 . 1 . . . . 105 LEU HD1 . 11145 1 1281 . 1 1 105 105 LEU HD12 H 1 -0.172 0.030 . 1 . . . . 105 LEU HD1 . 11145 1 1282 . 1 1 105 105 LEU HD13 H 1 -0.172 0.030 . 1 . . . . 105 LEU HD1 . 11145 1 1283 . 1 1 105 105 LEU HD21 H 1 0.706 0.030 . 1 . . . . 105 LEU HD2 . 11145 1 1284 . 1 1 105 105 LEU HD22 H 1 0.706 0.030 . 1 . . . . 105 LEU HD2 . 11145 1 1285 . 1 1 105 105 LEU HD23 H 1 0.706 0.030 . 1 . . . . 105 LEU HD2 . 11145 1 1286 . 1 1 105 105 LEU HG H 1 1.433 0.030 . 1 . . . . 105 LEU HG . 11145 1 1287 . 1 1 105 105 LEU C C 13 176.381 0.300 . 1 . . . . 105 LEU C . 11145 1 1288 . 1 1 105 105 LEU CA C 13 55.571 0.300 . 1 . . . . 105 LEU CA . 11145 1 1289 . 1 1 105 105 LEU CB C 13 40.952 0.300 . 1 . . . . 105 LEU CB . 11145 1 1290 . 1 1 105 105 LEU CD1 C 13 23.859 0.300 . 2 . . . . 105 LEU CD1 . 11145 1 1291 . 1 1 105 105 LEU CD2 C 13 20.674 0.300 . 2 . . . . 105 LEU CD2 . 11145 1 1292 . 1 1 105 105 LEU CG C 13 25.117 0.300 . 1 . . . . 105 LEU CG . 11145 1 1293 . 1 1 105 105 LEU N N 15 117.683 0.300 . 1 . . . . 105 LEU N . 11145 1 1294 . 1 1 106 106 TYR H H 1 8.838 0.030 . 1 . . . . 106 TYR H . 11145 1 1295 . 1 1 106 106 TYR HA H 1 3.810 0.030 . 1 . . . . 106 TYR HA . 11145 1 1296 . 1 1 106 106 TYR HB2 H 1 2.930 0.030 . 1 . . . . 106 TYR HB2 . 11145 1 1297 . 1 1 106 106 TYR HB3 H 1 2.930 0.030 . 1 . . . . 106 TYR HB3 . 11145 1 1298 . 1 1 106 106 TYR HD1 H 1 6.899 0.030 . 1 . . . . 106 TYR HD1 . 11145 1 1299 . 1 1 106 106 TYR HD2 H 1 6.899 0.030 . 1 . . . . 106 TYR HD2 . 11145 1 1300 . 1 1 106 106 TYR HE1 H 1 6.518 0.030 . 1 . . . . 106 TYR HE1 . 11145 1 1301 . 1 1 106 106 TYR HE2 H 1 6.518 0.030 . 1 . . . . 106 TYR HE2 . 11145 1 1302 . 1 1 106 106 TYR C C 13 177.569 0.300 . 1 . . . . 106 TYR C . 11145 1 1303 . 1 1 106 106 TYR CA C 13 59.918 0.300 . 1 . . . . 106 TYR CA . 11145 1 1304 . 1 1 106 106 TYR CB C 13 35.286 0.300 . 1 . . . . 106 TYR CB . 11145 1 1305 . 1 1 106 106 TYR CD1 C 13 131.163 0.300 . 1 . . . . 106 TYR CD1 . 11145 1 1306 . 1 1 106 106 TYR CD2 C 13 131.163 0.300 . 1 . . . . 106 TYR CD2 . 11145 1 1307 . 1 1 106 106 TYR CE1 C 13 115.498 0.300 . 1 . . . . 106 TYR CE1 . 11145 1 1308 . 1 1 106 106 TYR CE2 C 13 115.498 0.300 . 1 . . . . 106 TYR CE2 . 11145 1 1309 . 1 1 106 106 TYR N N 15 119.149 0.300 . 1 . . . . 106 TYR N . 11145 1 1310 . 1 1 107 107 GLN H H 1 7.516 0.030 . 1 . . . . 107 GLN H . 11145 1 1311 . 1 1 107 107 GLN HA H 1 3.902 0.030 . 1 . . . . 107 GLN HA . 11145 1 1312 . 1 1 107 107 GLN HB2 H 1 2.213 0.030 . 2 . . . . 107 GLN HB2 . 11145 1 1313 . 1 1 107 107 GLN HB3 H 1 1.925 0.030 . 2 . . . . 107 GLN HB3 . 11145 1 1314 . 1 1 107 107 GLN HE21 H 1 7.513 0.030 . 2 . . . . 107 GLN HE21 . 11145 1 1315 . 1 1 107 107 GLN HE22 H 1 6.808 0.030 . 2 . . . . 107 GLN HE22 . 11145 1 1316 . 1 1 107 107 GLN HG2 H 1 2.370 0.030 . 2 . . . . 107 GLN HG2 . 11145 1 1317 . 1 1 107 107 GLN HG3 H 1 2.544 0.030 . 2 . . . . 107 GLN HG3 . 11145 1 1318 . 1 1 107 107 GLN C C 13 176.747 0.300 . 1 . . . . 107 GLN C . 11145 1 1319 . 1 1 107 107 GLN CA C 13 56.369 0.300 . 1 . . . . 107 GLN CA . 11145 1 1320 . 1 1 107 107 GLN CB C 13 25.760 0.300 . 1 . . . . 107 GLN CB . 11145 1 1321 . 1 1 107 107 GLN CG C 13 31.491 0.300 . 1 . . . . 107 GLN CG . 11145 1 1322 . 1 1 107 107 GLN N N 15 118.578 0.300 . 1 . . . . 107 GLN N . 11145 1 1323 . 1 1 107 107 GLN NE2 N 15 111.798 0.300 . 1 . . . . 107 GLN NE2 . 11145 1 1324 . 1 1 108 108 ILE H H 1 7.919 0.030 . 1 . . . . 108 ILE H . 11145 1 1325 . 1 1 108 108 ILE HA H 1 3.124 0.030 . 1 . . . . 108 ILE HA . 11145 1 1326 . 1 1 108 108 ILE HB H 1 1.611 0.030 . 1 . . . . 108 ILE HB . 11145 1 1327 . 1 1 108 108 ILE HD11 H 1 -0.417 0.030 . 1 . . . . 108 ILE HD1 . 11145 1 1328 . 1 1 108 108 ILE HD12 H 1 -0.417 0.030 . 1 . . . . 108 ILE HD1 . 11145 1 1329 . 1 1 108 108 ILE HD13 H 1 -0.417 0.030 . 1 . . . . 108 ILE HD1 . 11145 1 1330 . 1 1 108 108 ILE HG12 H 1 -0.419 0.030 . 2 . . . . 108 ILE HG12 . 11145 1 1331 . 1 1 108 108 ILE HG13 H 1 0.891 0.030 . 2 . . . . 108 ILE HG13 . 11145 1 1332 . 1 1 108 108 ILE HG21 H 1 0.954 0.030 . 1 . . . . 108 ILE HG2 . 11145 1 1333 . 1 1 108 108 ILE HG22 H 1 0.954 0.030 . 1 . . . . 108 ILE HG2 . 11145 1 1334 . 1 1 108 108 ILE HG23 H 1 0.954 0.030 . 1 . . . . 108 ILE HG2 . 11145 1 1335 . 1 1 108 108 ILE C C 13 174.481 0.300 . 1 . . . . 108 ILE C . 11145 1 1336 . 1 1 108 108 ILE CA C 13 63.455 0.300 . 1 . . . . 108 ILE CA . 11145 1 1337 . 1 1 108 108 ILE CB C 13 36.351 0.300 . 1 . . . . 108 ILE CB . 11145 1 1338 . 1 1 108 108 ILE CD1 C 13 11.561 0.300 . 1 . . . . 108 ILE CD1 . 11145 1 1339 . 1 1 108 108 ILE CG1 C 13 27.644 0.300 . 1 . . . . 108 ILE CG1 . 11145 1 1340 . 1 1 108 108 ILE CG2 C 13 16.104 0.300 . 1 . . . . 108 ILE CG2 . 11145 1 1341 . 1 1 108 108 ILE N N 15 123.103 0.300 . 1 . . . . 108 ILE N . 11145 1 1342 . 1 1 109 109 ARG H H 1 8.441 0.030 . 1 . . . . 109 ARG H . 11145 1 1343 . 1 1 109 109 ARG HA H 1 3.143 0.030 . 1 . . . . 109 ARG HA . 11145 1 1344 . 1 1 109 109 ARG HB2 H 1 1.105 0.030 . 2 . . . . 109 ARG HB2 . 11145 1 1345 . 1 1 109 109 ARG HB3 H 1 0.135 0.030 . 2 . . . . 109 ARG HB3 . 11145 1 1346 . 1 1 109 109 ARG HD2 H 1 2.196 0.030 . 1 . . . . 109 ARG HD2 . 11145 1 1347 . 1 1 109 109 ARG HD3 H 1 2.196 0.030 . 1 . . . . 109 ARG HD3 . 11145 1 1348 . 1 1 109 109 ARG HG2 H 1 -0.375 0.030 . 2 . . . . 109 ARG HG2 . 11145 1 1349 . 1 1 109 109 ARG HG3 H 1 0.583 0.030 . 2 . . . . 109 ARG HG3 . 11145 1 1350 . 1 1 109 109 ARG C C 13 176.827 0.300 . 1 . . . . 109 ARG C . 11145 1 1351 . 1 1 109 109 ARG CA C 13 57.536 0.300 . 1 . . . . 109 ARG CA . 11145 1 1352 . 1 1 109 109 ARG CB C 13 26.616 0.300 . 1 . . . . 109 ARG CB . 11145 1 1353 . 1 1 109 109 ARG CD C 13 41.200 0.300 . 1 . . . . 109 ARG CD . 11145 1 1354 . 1 1 109 109 ARG CG C 13 23.438 0.300 . 1 . . . . 109 ARG CG . 11145 1 1355 . 1 1 109 109 ARG N N 15 118.787 0.300 . 1 . . . . 109 ARG N . 11145 1 1356 . 1 1 110 110 ALA H H 1 7.736 0.030 . 1 . . . . 110 ALA H . 11145 1 1357 . 1 1 110 110 ALA HA H 1 3.777 0.030 . 1 . . . . 110 ALA HA . 11145 1 1358 . 1 1 110 110 ALA HB1 H 1 1.229 0.030 . 1 . . . . 110 ALA HB . 11145 1 1359 . 1 1 110 110 ALA HB2 H 1 1.229 0.030 . 1 . . . . 110 ALA HB . 11145 1 1360 . 1 1 110 110 ALA HB3 H 1 1.229 0.030 . 1 . . . . 110 ALA HB . 11145 1 1361 . 1 1 110 110 ALA C C 13 177.581 0.300 . 1 . . . . 110 ALA C . 11145 1 1362 . 1 1 110 110 ALA CA C 13 52.359 0.300 . 1 . . . . 110 ALA CA . 11145 1 1363 . 1 1 110 110 ALA CB C 13 15.483 0.300 . 1 . . . . 110 ALA CB . 11145 1 1364 . 1 1 110 110 ALA N N 15 120.100 0.300 . 1 . . . . 110 ALA N . 11145 1 1365 . 1 1 111 111 HIS H H 1 7.600 0.030 . 1 . . . . 111 HIS H . 11145 1 1366 . 1 1 111 111 HIS HA H 1 3.812 0.030 . 1 . . . . 111 HIS HA . 11145 1 1367 . 1 1 111 111 HIS HB2 H 1 2.680 0.030 . 1 . . . . 111 HIS HB2 . 11145 1 1368 . 1 1 111 111 HIS HB3 H 1 2.680 0.030 . 1 . . . . 111 HIS HB3 . 11145 1 1369 . 1 1 111 111 HIS HD2 H 1 4.881 0.030 . 1 . . . . 111 HIS HD2 . 11145 1 1370 . 1 1 111 111 HIS HE1 H 1 7.993 0.030 . 1 . . . . 111 HIS HE1 . 11145 1 1371 . 1 1 111 111 HIS C C 13 175.130 0.300 . 1 . . . . 111 HIS C . 11145 1 1372 . 1 1 111 111 HIS CA C 13 57.642 0.300 . 1 . . . . 111 HIS CA . 11145 1 1373 . 1 1 111 111 HIS CB C 13 28.162 0.300 . 1 . . . . 111 HIS CB . 11145 1 1374 . 1 1 111 111 HIS CE1 C 13 134.882 0.300 . 1 . . . . 111 HIS CE1 . 11145 1 1375 . 1 1 111 111 HIS N N 15 117.542 0.300 . 1 . . . . 111 HIS N . 11145 1 1376 . 1 1 112 112 PHE H H 1 7.328 0.030 . 1 . . . . 112 PHE H . 11145 1 1377 . 1 1 112 112 PHE HA H 1 4.336 0.030 . 1 . . . . 112 PHE HA . 11145 1 1378 . 1 1 112 112 PHE HB2 H 1 2.198 0.030 . 2 . . . . 112 PHE HB2 . 11145 1 1379 . 1 1 112 112 PHE HB3 H 1 2.710 0.030 . 2 . . . . 112 PHE HB3 . 11145 1 1380 . 1 1 112 112 PHE HD1 H 1 7.101 0.030 . 1 . . . . 112 PHE HD1 . 11145 1 1381 . 1 1 112 112 PHE HD2 H 1 7.101 0.030 . 1 . . . . 112 PHE HD2 . 11145 1 1382 . 1 1 112 112 PHE HE1 H 1 7.233 0.030 . 1 . . . . 112 PHE HE1 . 11145 1 1383 . 1 1 112 112 PHE HE2 H 1 7.233 0.030 . 1 . . . . 112 PHE HE2 . 11145 1 1384 . 1 1 112 112 PHE HZ H 1 7.119 0.030 . 1 . . . . 112 PHE HZ . 11145 1 1385 . 1 1 112 112 PHE C C 13 174.074 0.300 . 1 . . . . 112 PHE C . 11145 1 1386 . 1 1 112 112 PHE CA C 13 57.244 0.300 . 1 . . . . 112 PHE CA . 11145 1 1387 . 1 1 112 112 PHE CB C 13 36.905 0.300 . 1 . . . . 112 PHE CB . 11145 1 1388 . 1 1 112 112 PHE CD1 C 13 130.130 0.300 . 1 . . . . 112 PHE CD1 . 11145 1 1389 . 1 1 112 112 PHE CD2 C 13 130.130 0.300 . 1 . . . . 112 PHE CD2 . 11145 1 1390 . 1 1 112 112 PHE CE1 C 13 128.107 0.300 . 1 . . . . 112 PHE CE1 . 11145 1 1391 . 1 1 112 112 PHE CE2 C 13 128.107 0.300 . 1 . . . . 112 PHE CE2 . 11145 1 1392 . 1 1 112 112 PHE CZ C 13 126.152 0.300 . 1 . . . . 112 PHE CZ . 11145 1 1393 . 1 1 112 112 PHE N N 15 113.634 0.300 . 1 . . . . 112 PHE N . 11145 1 1394 . 1 1 113 113 SER H H 1 7.668 0.030 . 1 . . . . 113 SER H . 11145 1 1395 . 1 1 113 113 SER HA H 1 4.610 0.030 . 1 . . . . 113 SER HA . 11145 1 1396 . 1 1 113 113 SER HB2 H 1 3.785 0.030 . 2 . . . . 113 SER HB2 . 11145 1 1397 . 1 1 113 113 SER HB3 H 1 3.857 0.030 . 2 . . . . 113 SER HB3 . 11145 1 1398 . 1 1 113 113 SER C C 13 171.789 0.300 . 1 . . . . 113 SER C . 11145 1 1399 . 1 1 113 113 SER CA C 13 56.633 0.300 . 1 . . . . 113 SER CA . 11145 1 1400 . 1 1 113 113 SER CB C 13 61.499 0.300 . 1 . . . . 113 SER CB . 11145 1 1401 . 1 1 113 113 SER N N 15 114.708 0.300 . 1 . . . . 113 SER N . 11145 1 1402 . 1 1 114 114 SER H H 1 7.850 0.030 . 1 . . . . 114 SER H . 11145 1 1403 . 1 1 114 114 SER HA H 1 4.416 0.030 . 1 . . . . 114 SER HA . 11145 1 1404 . 1 1 114 114 SER HB2 H 1 3.824 0.030 . 1 . . . . 114 SER HB2 . 11145 1 1405 . 1 1 114 114 SER HB3 H 1 3.824 0.030 . 1 . . . . 114 SER HB3 . 11145 1 1406 . 1 1 114 114 SER C C 13 172.121 0.300 . 1 . . . . 114 SER C . 11145 1 1407 . 1 1 114 114 SER CA C 13 56.183 0.300 . 1 . . . . 114 SER CA . 11145 1 1408 . 1 1 114 114 SER CB C 13 61.683 0.300 . 1 . . . . 114 SER CB . 11145 1 1409 . 1 1 114 114 SER N N 15 116.403 0.300 . 1 . . . . 114 SER N . 11145 1 1410 . 1 1 115 115 GLY H H 1 8.093 0.030 . 1 . . . . 115 GLY H . 11145 1 1411 . 1 1 115 115 GLY HA2 H 1 4.083 0.030 . 2 . . . . 115 GLY HA2 . 11145 1 1412 . 1 1 115 115 GLY HA3 H 1 4.040 0.030 . 2 . . . . 115 GLY HA3 . 11145 1 1413 . 1 1 115 115 GLY C C 13 169.519 0.300 . 1 . . . . 115 GLY C . 11145 1 1414 . 1 1 115 115 GLY CA C 13 42.453 0.300 . 1 . . . . 115 GLY CA . 11145 1 1415 . 1 1 115 115 GLY N N 15 110.141 0.300 . 1 . . . . 115 GLY N . 11145 1 1416 . 1 1 116 116 PRO HA H 1 4.418 0.030 . 1 . . . . 116 PRO HA . 11145 1 1417 . 1 1 116 116 PRO HB2 H 1 1.917 0.030 . 2 . . . . 116 PRO HB2 . 11145 1 1418 . 1 1 116 116 PRO HB3 H 1 2.232 0.030 . 2 . . . . 116 PRO HB3 . 11145 1 1419 . 1 1 116 116 PRO HD2 H 1 3.524 0.030 . 2 . . . . 116 PRO HD2 . 11145 1 1420 . 1 1 116 116 PRO HD3 H 1 3.603 0.030 . 2 . . . . 116 PRO HD3 . 11145 1 1421 . 1 1 116 116 PRO HG2 H 1 1.948 0.030 . 1 . . . . 116 PRO HG2 . 11145 1 1422 . 1 1 116 116 PRO HG3 H 1 1.948 0.030 . 1 . . . . 116 PRO HG3 . 11145 1 1423 . 1 1 116 116 PRO C C 13 175.098 0.300 . 1 . . . . 116 PRO C . 11145 1 1424 . 1 1 116 116 PRO CA C 13 61.106 0.300 . 1 . . . . 116 PRO CA . 11145 1 1425 . 1 1 116 116 PRO CB C 13 29.867 0.300 . 1 . . . . 116 PRO CB . 11145 1 1426 . 1 1 116 116 PRO CD C 13 47.506 0.300 . 1 . . . . 116 PRO CD . 11145 1 1427 . 1 1 116 116 PRO CG C 13 24.866 0.300 . 1 . . . . 116 PRO CG . 11145 1 1428 . 1 1 117 117 SER H H 1 8.447 0.030 . 1 . . . . 117 SER H . 11145 1 1429 . 1 1 117 117 SER C C 13 172.329 0.300 . 1 . . . . 117 SER C . 11145 1 1430 . 1 1 117 117 SER CA C 13 55.874 0.300 . 1 . . . . 117 SER CA . 11145 1 1431 . 1 1 117 117 SER CB C 13 61.614 0.300 . 1 . . . . 117 SER CB . 11145 1 1432 . 1 1 117 117 SER N N 15 115.986 0.300 . 1 . . . . 117 SER N . 11145 1 1433 . 1 1 118 118 SER HA H 1 4.402 0.030 . 1 . . . . 118 SER HA . 11145 1 1434 . 1 1 118 118 SER HB2 H 1 3.803 0.030 . 2 . . . . 118 SER HB2 . 11145 1 1435 . 1 1 118 118 SER C C 13 171.598 0.300 . 1 . . . . 118 SER C . 11145 1 1436 . 1 1 118 118 SER CA C 13 55.757 0.300 . 1 . . . . 118 SER CA . 11145 1 1437 . 1 1 118 118 SER CB C 13 61.853 0.300 . 1 . . . . 118 SER CB . 11145 1 1438 . 1 1 119 119 GLY H H 1 7.969 0.030 . 1 . . . . 119 GLY H . 11145 1 1439 . 1 1 119 119 GLY HA2 H 1 3.727 0.030 . 2 . . . . 119 GLY HA2 . 11145 1 1440 . 1 1 119 119 GLY HA3 H 1 3.690 0.030 . 2 . . . . 119 GLY HA3 . 11145 1 1441 . 1 1 119 119 GLY C C 13 176.647 0.300 . 1 . . . . 119 GLY C . 11145 1 1442 . 1 1 119 119 GLY CA C 13 43.912 0.300 . 1 . . . . 119 GLY CA . 11145 1 1443 . 1 1 119 119 GLY N N 15 116.439 0.300 . 1 . . . . 119 GLY N . 11145 1 stop_ save_