data_10025 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10025 _Entry.Title ; Solution structure of kinase associated domain 1 of mouse MAP/microtubule affinity-regulating kinase 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-09-07 _Entry.Accession_date 2006-09-07 _Entry.Last_release_date 2008-07-16 _Entry.Original_release_date 2008-07-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 N. Tochio . . . 10025 2 S. Koshiba . . . 10025 3 T. Kigawa . . . 10025 4 S. Yokoyama . . . 10025 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10025 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10025 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 436 10025 '15N chemical shifts' 102 10025 '1H chemical shifts' 696 10025 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 . . 2008-07-16 2006-09-07 original author . 10025 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UL7 'BMRB Entry Tracking System' 10025 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10025 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17075132 _Citation.Full_citation . _Citation.Title ; Solution structure of the kinase-associated domain 1 of mouse microtubule-associated protein/microtubule affinity-regulating kinase 3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein Science' _Citation.Journal_volume 15 _Citation.Journal_issue 11 _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 2534 _Citation.Page_last 2543 _Citation.Year 2006 _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 N. Tochio . . . 10025 1 2 S. Koshiba . . . 10025 1 3 N. Kobayashi . . . 10025 1 4 M. Inoue . . . 10025 1 5 T. Yabuki . . . 10025 1 6 M. Aoki . . . 10025 1 7 E. Seki . . . 10025 1 8 T. Matsuda . . . 10025 1 9 Y. Tomo . . . 10025 1 10 Y. Motoda . . . 10025 1 11 A. Kobayashi . . . 10025 1 12 A. Tanaka . . . 10025 1 13 Y. Hayashizaki . . . 10025 1 14 T. Terada . . . 10025 1 15 M. Shirouzu . . . 10025 1 16 T. Kigawa . . . 10025 1 17 S. Yokoyama . . . 10025 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10025 _Assembly.ID 1 _Assembly.Name 'MAP/microtubule affinity-regulating kinase 3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'kinase associated domain 1(KA1)' 1 $entity_1 . . yes native no no . . . 10025 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 1UL7 . . . . . . 10025 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10025 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'kinase associated domain 1(KA1)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRFTWSMKTTSSMD PSDMMREIRKVLGANNCDYE QRERFLLFCVHGDGHAENLV QWEMEVCKLPRLSLNGVRFK RISGTSIAFKNIASKIANEL KL ; _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 102 _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 1UL7 . "Solution Structure Of Kinase Associated Domain 1 Of Mouse MapMICROTUBULE AFFINITY-Regulating Kinase 3" . . . . . 100.00 102 100.00 100.00 1.32e-68 . . . . 10025 1 2 no DBJ BAC35922 . "unnamed protein product [Mus musculus]" . . . . . 93.14 452 100.00 100.00 2.06e-62 . . . . 10025 1 3 no DBJ BAD92779 . "MAP/microtubule affinity-regulating kinase 3 variant [Homo sapiens]" . . . . . 93.14 203 97.89 97.89 6.52e-63 . . . . 10025 1 4 no DBJ BAE21056 . "unnamed protein product [Mus musculus]" . . . . . 93.14 744 98.95 98.95 7.57e-59 . . . . 10025 1 5 no DBJ BAE38602 . "unnamed protein product [Mus musculus]" . . . . . 93.14 729 98.95 98.95 5.99e-59 . . . . 10025 1 6 no DBJ BAG59243 . "unnamed protein product [Homo sapiens]" . . . . . 93.14 462 97.89 97.89 2.06e-60 . . . . 10025 1 7 no EMBL CAD61882 . "unnamed protein product [Homo sapiens]" . . . . . 93.14 659 97.89 97.89 6.85e-59 . . . . 10025 1 8 no EMBL CAD62578 . "unnamed protein product [Homo sapiens]" . . . . . 93.14 431 97.89 97.89 2.77e-61 . . . . 10025 1 9 no GB AAA59991 . "protein p78 [Homo sapiens]" . . . . . 93.14 713 97.89 97.89 2.76e-58 . . . . 10025 1 10 no GB AAC15093 . "Cdc25C associated protein kinase C-TAK1 [Homo sapiens]" . . . . . 93.14 729 97.89 97.89 2.35e-58 . . . . 10025 1 11 no GB AAD48007 . "serine/threonine protein kinase Kp78 splice variant CTAK75a [Homo sapiens]" . . . . . 93.14 752 97.89 97.89 2.56e-58 . . . . 10025 1 12 no GB AAD51631 . "protein kinase STK10 [Homo sapiens]" . . . . . 92.16 437 97.87 97.87 3.06e-60 . . . . 10025 1 13 no GB AAF64455 . "ELKL motif kinase 2 long form [Mus musculus]" . . . . . 93.14 744 98.95 98.95 7.13e-59 . . . . 10025 1 14 no REF NP_001122390 . "MAP/microtubule affinity-regulating kinase 3 isoform a [Homo sapiens]" . . . . . 93.14 753 97.89 97.89 2.84e-58 . . . . 10025 1 15 no REF NP_001122391 . "MAP/microtubule affinity-regulating kinase 3 isoform b [Homo sapiens]" . . . . . 93.14 744 97.89 97.89 2.39e-58 . . . . 10025 1 16 no REF NP_001122392 . "MAP/microtubule affinity-regulating kinase 3 isoform d [Homo sapiens]" . . . . . 93.14 713 97.89 97.89 2.82e-58 . . . . 10025 1 17 no REF NP_001122393 . "MAP/microtubule affinity-regulating kinase 3 isoform e [Homo sapiens]" . . . . . 93.14 659 97.89 97.89 6.44e-59 . . . . 10025 1 18 no REF NP_002367 . "MAP/microtubule affinity-regulating kinase 3 isoform c [Homo sapiens]" . . . . . 93.14 729 97.89 97.89 2.35e-58 . . . . 10025 1 19 no SP P27448 . "RecName: Full=MAP/microtubule affinity-regulating kinase 3; AltName: Full=C-TAK1; Short=cTAK1; AltName: Full=Cdc25C-associated " . . . . . 93.14 753 97.89 97.89 3.33e-58 . . . . 10025 1 20 no SP Q03141 . "RecName: Full=MAP/microtubule affinity-regulating kinase 3; AltName: Full=ELKL motif kinase 2; Short=EMK-2; AltName: Full=MPK-1" . . . . . 93.14 753 98.95 98.95 8.85e-59 . . . . 10025 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAP/microtubule affinity-regulating kinase 3' . 10025 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 . 10025 1 2 . SER . 10025 1 3 . SER . 10025 1 4 . GLY . 10025 1 5 . SER . 10025 1 6 . SER . 10025 1 7 . GLY . 10025 1 8 . ARG . 10025 1 9 . PHE . 10025 1 10 . THR . 10025 1 11 . TRP . 10025 1 12 . SER . 10025 1 13 . MET . 10025 1 14 . LYS . 10025 1 15 . THR . 10025 1 16 . THR . 10025 1 17 . SER . 10025 1 18 . SER . 10025 1 19 . MET . 10025 1 20 . ASP . 10025 1 21 . PRO . 10025 1 22 . SER . 10025 1 23 . ASP . 10025 1 24 . MET . 10025 1 25 . MET . 10025 1 26 . ARG . 10025 1 27 . GLU . 10025 1 28 . ILE . 10025 1 29 . ARG . 10025 1 30 . LYS . 10025 1 31 . VAL . 10025 1 32 . LEU . 10025 1 33 . GLY . 10025 1 34 . ALA . 10025 1 35 . ASN . 10025 1 36 . ASN . 10025 1 37 . CYS . 10025 1 38 . ASP . 10025 1 39 . TYR . 10025 1 40 . GLU . 10025 1 41 . GLN . 10025 1 42 . ARG . 10025 1 43 . GLU . 10025 1 44 . ARG . 10025 1 45 . PHE . 10025 1 46 . LEU . 10025 1 47 . LEU . 10025 1 48 . PHE . 10025 1 49 . CYS . 10025 1 50 . VAL . 10025 1 51 . HIS . 10025 1 52 . GLY . 10025 1 53 . ASP . 10025 1 54 . GLY . 10025 1 55 . HIS . 10025 1 56 . ALA . 10025 1 57 . GLU . 10025 1 58 . ASN . 10025 1 59 . LEU . 10025 1 60 . VAL . 10025 1 61 . GLN . 10025 1 62 . TRP . 10025 1 63 . GLU . 10025 1 64 . MET . 10025 1 65 . GLU . 10025 1 66 . VAL . 10025 1 67 . CYS . 10025 1 68 . LYS . 10025 1 69 . LEU . 10025 1 70 . PRO . 10025 1 71 . ARG . 10025 1 72 . LEU . 10025 1 73 . SER . 10025 1 74 . LEU . 10025 1 75 . ASN . 10025 1 76 . GLY . 10025 1 77 . VAL . 10025 1 78 . ARG . 10025 1 79 . PHE . 10025 1 80 . LYS . 10025 1 81 . ARG . 10025 1 82 . ILE . 10025 1 83 . SER . 10025 1 84 . GLY . 10025 1 85 . THR . 10025 1 86 . SER . 10025 1 87 . ILE . 10025 1 88 . ALA . 10025 1 89 . PHE . 10025 1 90 . LYS . 10025 1 91 . ASN . 10025 1 92 . ILE . 10025 1 93 . ALA . 10025 1 94 . SER . 10025 1 95 . LYS . 10025 1 96 . ILE . 10025 1 97 . ALA . 10025 1 98 . ASN . 10025 1 99 . GLU . 10025 1 100 . LEU . 10025 1 101 . LYS . 10025 1 102 . LEU . 10025 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 10025 1 . SER 2 2 10025 1 . SER 3 3 10025 1 . GLY 4 4 10025 1 . SER 5 5 10025 1 . SER 6 6 10025 1 . GLY 7 7 10025 1 . ARG 8 8 10025 1 . PHE 9 9 10025 1 . THR 10 10 10025 1 . TRP 11 11 10025 1 . SER 12 12 10025 1 . MET 13 13 10025 1 . LYS 14 14 10025 1 . THR 15 15 10025 1 . THR 16 16 10025 1 . SER 17 17 10025 1 . SER 18 18 10025 1 . MET 19 19 10025 1 . ASP 20 20 10025 1 . PRO 21 21 10025 1 . SER 22 22 10025 1 . ASP 23 23 10025 1 . MET 24 24 10025 1 . MET 25 25 10025 1 . ARG 26 26 10025 1 . GLU 27 27 10025 1 . ILE 28 28 10025 1 . ARG 29 29 10025 1 . LYS 30 30 10025 1 . VAL 31 31 10025 1 . LEU 32 32 10025 1 . GLY 33 33 10025 1 . ALA 34 34 10025 1 . ASN 35 35 10025 1 . ASN 36 36 10025 1 . CYS 37 37 10025 1 . ASP 38 38 10025 1 . TYR 39 39 10025 1 . GLU 40 40 10025 1 . GLN 41 41 10025 1 . ARG 42 42 10025 1 . GLU 43 43 10025 1 . ARG 44 44 10025 1 . PHE 45 45 10025 1 . LEU 46 46 10025 1 . LEU 47 47 10025 1 . PHE 48 48 10025 1 . CYS 49 49 10025 1 . VAL 50 50 10025 1 . HIS 51 51 10025 1 . GLY 52 52 10025 1 . ASP 53 53 10025 1 . GLY 54 54 10025 1 . HIS 55 55 10025 1 . ALA 56 56 10025 1 . GLU 57 57 10025 1 . ASN 58 58 10025 1 . LEU 59 59 10025 1 . VAL 60 60 10025 1 . GLN 61 61 10025 1 . TRP 62 62 10025 1 . GLU 63 63 10025 1 . MET 64 64 10025 1 . GLU 65 65 10025 1 . VAL 66 66 10025 1 . CYS 67 67 10025 1 . LYS 68 68 10025 1 . LEU 69 69 10025 1 . PRO 70 70 10025 1 . ARG 71 71 10025 1 . LEU 72 72 10025 1 . SER 73 73 10025 1 . LEU 74 74 10025 1 . ASN 75 75 10025 1 . GLY 76 76 10025 1 . VAL 77 77 10025 1 . ARG 78 78 10025 1 . PHE 79 79 10025 1 . LYS 80 80 10025 1 . ARG 81 81 10025 1 . ILE 82 82 10025 1 . SER 83 83 10025 1 . GLY 84 84 10025 1 . THR 85 85 10025 1 . SER 86 86 10025 1 . ILE 87 87 10025 1 . ALA 88 88 10025 1 . PHE 89 89 10025 1 . LYS 90 90 10025 1 . ASN 91 91 10025 1 . ILE 92 92 10025 1 . ALA 93 93 10025 1 . SER 94 94 10025 1 . LYS 95 95 10025 1 . ILE 96 96 10025 1 . ALA 97 97 10025 1 . ASN 98 98 10025 1 . GLU 99 99 10025 1 . LEU 100 100 10025 1 . LYS 101 101 10025 1 . LEU 102 102 10025 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 10025 _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 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10025 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 10025 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P021202-01 . . . . . . 10025 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10025 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KA1 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.0 . . mM . . . . 10025 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10025 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10025 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10025 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10025 1 6 D2O . . . . . . solvent 10 . . % . . . . 10025 1 7 H2O . . . . . . solvent 90 . . % . . . . 10025 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 10025 _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 10025 1 pH 6.0 0.05 pH 10025 1 pressure 1 0.001 atm 10025 1 temperature 298 0.1 K 10025 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10025 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10025 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10025 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10025 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10025 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10025 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10025 _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.' . . 10025 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10025 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10025 _Software.ID 4 _Software.Name Kujira _Software.Version 0.853 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10025 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10025 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10025 _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.' . . 10025 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10025 5 'structure solution' 10025 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 10025 _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 10025 _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 . . . 10025 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 10025 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10025 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10025 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 10025 _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 . . . . . . . . . 10025 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10025 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10025 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 10025 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10025 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10025 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 3 3 SER HA H 1 4.532 0.030 . 1 . . . . 3 SER HA . 10025 1 2 . 1 1 3 3 SER HB2 H 1 3.930 0.030 . 1 . . . . 3 SER HB2 . 10025 1 3 . 1 1 3 3 SER HB3 H 1 3.930 0.030 . 1 . . . . 3 SER HB3 . 10025 1 4 . 1 1 3 3 SER C C 13 175.179 0.300 . 1 . . . . 3 SER C . 10025 1 5 . 1 1 3 3 SER CA C 13 58.569 0.300 . 1 . . . . 3 SER CA . 10025 1 6 . 1 1 3 3 SER CB C 13 63.822 0.300 . 1 . . . . 3 SER CB . 10025 1 7 . 1 1 4 4 GLY H H 1 8.503 0.030 . 1 . . . . 4 GLY H . 10025 1 8 . 1 1 4 4 GLY C C 13 174.472 0.300 . 1 . . . . 4 GLY C . 10025 1 9 . 1 1 4 4 GLY CA C 13 45.568 0.300 . 1 . . . . 4 GLY CA . 10025 1 10 . 1 1 4 4 GLY N N 15 110.926 0.300 . 1 . . . . 4 GLY N . 10025 1 11 . 1 1 6 6 SER HA H 1 4.495 0.030 . 1 . . . . 6 SER HA . 10025 1 12 . 1 1 6 6 SER HB2 H 1 3.968 0.030 . 1 . . . . 6 SER HB2 . 10025 1 13 . 1 1 6 6 SER HB3 H 1 3.968 0.030 . 1 . . . . 6 SER HB3 . 10025 1 14 . 1 1 6 6 SER C C 13 175.130 0.300 . 1 . . . . 6 SER C . 10025 1 15 . 1 1 6 6 SER CA C 13 58.836 0.300 . 1 . . . . 6 SER CA . 10025 1 16 . 1 1 6 6 SER CB C 13 63.904 0.300 . 1 . . . . 6 SER CB . 10025 1 17 . 1 1 7 7 GLY H H 1 8.401 0.030 . 1 . . . . 7 GLY H . 10025 1 18 . 1 1 7 7 GLY HA2 H 1 3.943 0.030 . 1 . . . . 7 GLY HA2 . 10025 1 19 . 1 1 7 7 GLY HA3 H 1 3.943 0.030 . 1 . . . . 7 GLY HA3 . 10025 1 20 . 1 1 7 7 GLY C C 13 173.947 0.300 . 1 . . . . 7 GLY C . 10025 1 21 . 1 1 7 7 GLY CA C 13 45.522 0.300 . 1 . . . . 7 GLY CA . 10025 1 22 . 1 1 7 7 GLY N N 15 110.623 0.300 . 1 . . . . 7 GLY N . 10025 1 23 . 1 1 8 8 ARG H H 1 8.013 0.030 . 1 . . . . 8 ARG H . 10025 1 24 . 1 1 8 8 ARG HA H 1 4.292 0.030 . 1 . . . . 8 ARG HA . 10025 1 25 . 1 1 8 8 ARG HB2 H 1 1.626 0.030 . 1 . . . . 8 ARG HB2 . 10025 1 26 . 1 1 8 8 ARG HB3 H 1 1.626 0.030 . 1 . . . . 8 ARG HB3 . 10025 1 27 . 1 1 8 8 ARG HG2 H 1 1.434 0.030 . 1 . . . . 8 ARG HG2 . 10025 1 28 . 1 1 8 8 ARG HG3 H 1 1.434 0.030 . 1 . . . . 8 ARG HG3 . 10025 1 29 . 1 1 8 8 ARG HD2 H 1 3.113 0.030 . 1 . . . . 8 ARG HD2 . 10025 1 30 . 1 1 8 8 ARG HD3 H 1 3.113 0.030 . 1 . . . . 8 ARG HD3 . 10025 1 31 . 1 1 8 8 ARG C C 13 176.045 0.300 . 1 . . . . 8 ARG C . 10025 1 32 . 1 1 8 8 ARG CA C 13 56.282 0.300 . 1 . . . . 8 ARG CA . 10025 1 33 . 1 1 8 8 ARG CB C 13 30.966 0.300 . 1 . . . . 8 ARG CB . 10025 1 34 . 1 1 8 8 ARG CG C 13 26.994 0.300 . 1 . . . . 8 ARG CG . 10025 1 35 . 1 1 8 8 ARG CD C 13 43.401 0.300 . 1 . . . . 8 ARG CD . 10025 1 36 . 1 1 8 8 ARG N N 15 120.113 0.300 . 1 . . . . 8 ARG N . 10025 1 37 . 1 1 9 9 PHE H H 1 8.306 0.030 . 1 . . . . 9 PHE H . 10025 1 38 . 1 1 9 9 PHE HA H 1 4.771 0.030 . 1 . . . . 9 PHE HA . 10025 1 39 . 1 1 9 9 PHE HB2 H 1 3.086 0.030 . 2 . . . . 9 PHE HB2 . 10025 1 40 . 1 1 9 9 PHE HB3 H 1 2.915 0.030 . 2 . . . . 9 PHE HB3 . 10025 1 41 . 1 1 9 9 PHE HD1 H 1 7.198 0.030 . 1 . . . . 9 PHE HD1 . 10025 1 42 . 1 1 9 9 PHE HD2 H 1 7.198 0.030 . 1 . . . . 9 PHE HD2 . 10025 1 43 . 1 1 9 9 PHE C C 13 175.398 0.300 . 1 . . . . 9 PHE C . 10025 1 44 . 1 1 9 9 PHE CA C 13 57.234 0.300 . 1 . . . . 9 PHE CA . 10025 1 45 . 1 1 9 9 PHE CB C 13 39.700 0.300 . 1 . . . . 9 PHE CB . 10025 1 46 . 1 1 9 9 PHE N N 15 120.288 0.300 . 1 . . . . 9 PHE N . 10025 1 47 . 1 1 10 10 THR H H 1 8.147 0.030 . 1 . . . . 10 THR H . 10025 1 48 . 1 1 10 10 THR HA H 1 4.659 0.030 . 1 . . . . 10 THR HA . 10025 1 49 . 1 1 10 10 THR HB H 1 4.194 0.030 . 1 . . . . 10 THR HB . 10025 1 50 . 1 1 10 10 THR HG21 H 1 1.184 0.030 . 1 . . . . 10 THR HG2 . 10025 1 51 . 1 1 10 10 THR HG22 H 1 1.184 0.030 . 1 . . . . 10 THR HG2 . 10025 1 52 . 1 1 10 10 THR HG23 H 1 1.184 0.030 . 1 . . . . 10 THR HG2 . 10025 1 53 . 1 1 10 10 THR C C 13 174.081 0.300 . 1 . . . . 10 THR C . 10025 1 54 . 1 1 10 10 THR CA C 13 61.357 0.300 . 1 . . . . 10 THR CA . 10025 1 55 . 1 1 10 10 THR CB C 13 70.766 0.300 . 1 . . . . 10 THR CB . 10025 1 56 . 1 1 10 10 THR CG2 C 13 21.572 0.300 . 1 . . . . 10 THR CG2 . 10025 1 57 . 1 1 10 10 THR N N 15 114.540 0.300 . 1 . . . . 10 THR N . 10025 1 58 . 1 1 11 11 TRP H H 1 8.472 0.030 . 1 . . . . 11 TRP H . 10025 1 59 . 1 1 11 11 TRP HA H 1 4.838 0.030 . 1 . . . . 11 TRP HA . 10025 1 60 . 1 1 11 11 TRP HB2 H 1 3.195 0.030 . 1 . . . . 11 TRP HB2 . 10025 1 61 . 1 1 11 11 TRP HB3 H 1 3.195 0.030 . 1 . . . . 11 TRP HB3 . 10025 1 62 . 1 1 11 11 TRP HD1 H 1 7.283 0.030 . 1 . . . . 11 TRP HD1 . 10025 1 63 . 1 1 11 11 TRP HE1 H 1 10.046 0.030 . 1 . . . . 11 TRP HE1 . 10025 1 64 . 1 1 11 11 TRP HE3 H 1 7.248 0.030 . 1 . . . . 11 TRP HE3 . 10025 1 65 . 1 1 11 11 TRP HZ2 H 1 7.288 0.030 . 1 . . . . 11 TRP HZ2 . 10025 1 66 . 1 1 11 11 TRP HZ3 H 1 6.689 0.030 . 1 . . . . 11 TRP HZ3 . 10025 1 67 . 1 1 11 11 TRP HH2 H 1 6.867 0.030 . 1 . . . . 11 TRP HH2 . 10025 1 68 . 1 1 11 11 TRP CB C 13 31.282 0.300 . 1 . . . . 11 TRP CB . 10025 1 69 . 1 1 11 11 TRP CD1 C 13 127.566 0.300 . 1 . . . . 11 TRP CD1 . 10025 1 70 . 1 1 11 11 TRP CE3 C 13 120.348 0.300 . 1 . . . . 11 TRP CE3 . 10025 1 71 . 1 1 11 11 TRP CZ2 C 13 114.555 0.300 . 1 . . . . 11 TRP CZ2 . 10025 1 72 . 1 1 11 11 TRP CZ3 C 13 121.838 0.300 . 1 . . . . 11 TRP CZ3 . 10025 1 73 . 1 1 11 11 TRP CH2 C 13 124.553 0.300 . 1 . . . . 11 TRP CH2 . 10025 1 74 . 1 1 11 11 TRP NE1 N 15 129.369 0.300 . 1 . . . . 11 TRP NE1 . 10025 1 75 . 1 1 13 13 MET HA H 1 4.563 0.030 . 1 . . . . 13 MET HA . 10025 1 76 . 1 1 13 13 MET HB2 H 1 2.215 0.030 . 2 . . . . 13 MET HB2 . 10025 1 77 . 1 1 13 13 MET HB3 H 1 1.975 0.030 . 2 . . . . 13 MET HB3 . 10025 1 78 . 1 1 13 13 MET HG2 H 1 2.500 0.030 . 2 . . . . 13 MET HG2 . 10025 1 79 . 1 1 13 13 MET HG3 H 1 2.456 0.030 . 2 . . . . 13 MET HG3 . 10025 1 80 . 1 1 13 13 MET HE1 H 1 1.985 0.030 . 1 . . . . 13 MET HE . 10025 1 81 . 1 1 13 13 MET HE2 H 1 1.985 0.030 . 1 . . . . 13 MET HE . 10025 1 82 . 1 1 13 13 MET HE3 H 1 1.985 0.030 . 1 . . . . 13 MET HE . 10025 1 83 . 1 1 13 13 MET CA C 13 55.849 0.300 . 1 . . . . 13 MET CA . 10025 1 84 . 1 1 13 13 MET CB C 13 33.034 0.300 . 1 . . . . 13 MET CB . 10025 1 85 . 1 1 13 13 MET CG C 13 31.999 0.300 . 1 . . . . 13 MET CG . 10025 1 86 . 1 1 13 13 MET CE C 13 16.951 0.300 . 1 . . . . 13 MET CE . 10025 1 87 . 1 1 14 14 LYS H H 1 8.524 0.030 . 1 . . . . 14 LYS H . 10025 1 88 . 1 1 14 14 LYS HA H 1 4.550 0.030 . 1 . . . . 14 LYS HA . 10025 1 89 . 1 1 14 14 LYS HB2 H 1 1.900 0.030 . 2 . . . . 14 LYS HB2 . 10025 1 90 . 1 1 14 14 LYS HB3 H 1 1.788 0.030 . 2 . . . . 14 LYS HB3 . 10025 1 91 . 1 1 14 14 LYS HG2 H 1 1.389 0.030 . 1 . . . . 14 LYS HG2 . 10025 1 92 . 1 1 14 14 LYS HG3 H 1 1.389 0.030 . 1 . . . . 14 LYS HG3 . 10025 1 93 . 1 1 14 14 LYS HE2 H 1 2.814 0.030 . 1 . . . . 14 LYS HE2 . 10025 1 94 . 1 1 14 14 LYS HE3 H 1 2.814 0.030 . 1 . . . . 14 LYS HE3 . 10025 1 95 . 1 1 14 14 LYS C C 13 176.374 0.300 . 1 . . . . 14 LYS C . 10025 1 96 . 1 1 14 14 LYS CA C 13 56.702 0.300 . 1 . . . . 14 LYS CA . 10025 1 97 . 1 1 14 14 LYS CB C 13 33.585 0.300 . 1 . . . . 14 LYS CB . 10025 1 98 . 1 1 14 14 LYS CG C 13 24.583 0.300 . 1 . . . . 14 LYS CG . 10025 1 99 . 1 1 14 14 LYS CD C 13 28.559 0.300 . 1 . . . . 14 LYS CD . 10025 1 100 . 1 1 14 14 LYS CE C 13 41.989 0.300 . 1 . . . . 14 LYS CE . 10025 1 101 . 1 1 14 14 LYS N N 15 122.881 0.300 . 1 . . . . 14 LYS N . 10025 1 102 . 1 1 15 15 THR H H 1 7.781 0.030 . 1 . . . . 15 THR H . 10025 1 103 . 1 1 15 15 THR HA H 1 4.595 0.030 . 1 . . . . 15 THR HA . 10025 1 104 . 1 1 15 15 THR HB H 1 4.269 0.030 . 1 . . . . 15 THR HB . 10025 1 105 . 1 1 15 15 THR HG21 H 1 1.242 0.030 . 1 . . . . 15 THR HG2 . 10025 1 106 . 1 1 15 15 THR HG22 H 1 1.242 0.030 . 1 . . . . 15 THR HG2 . 10025 1 107 . 1 1 15 15 THR HG23 H 1 1.242 0.030 . 1 . . . . 15 THR HG2 . 10025 1 108 . 1 1 15 15 THR C C 13 173.142 0.300 . 1 . . . . 15 THR C . 10025 1 109 . 1 1 15 15 THR CA C 13 61.674 0.300 . 1 . . . . 15 THR CA . 10025 1 110 . 1 1 15 15 THR CB C 13 69.954 0.300 . 1 . . . . 15 THR CB . 10025 1 111 . 1 1 15 15 THR CG2 C 13 21.673 0.300 . 1 . . . . 15 THR CG2 . 10025 1 112 . 1 1 15 15 THR N N 15 113.014 0.300 . 1 . . . . 15 THR N . 10025 1 113 . 1 1 16 16 THR H H 1 8.143 0.030 . 1 . . . . 16 THR H . 10025 1 114 . 1 1 16 16 THR HA H 1 5.102 0.030 . 1 . . . . 16 THR HA . 10025 1 115 . 1 1 16 16 THR HB H 1 4.212 0.030 . 1 . . . . 16 THR HB . 10025 1 116 . 1 1 16 16 THR HG21 H 1 1.140 0.030 . 1 . . . . 16 THR HG2 . 10025 1 117 . 1 1 16 16 THR HG22 H 1 1.140 0.030 . 1 . . . . 16 THR HG2 . 10025 1 118 . 1 1 16 16 THR HG23 H 1 1.140 0.030 . 1 . . . . 16 THR HG2 . 10025 1 119 . 1 1 16 16 THR C C 13 173.862 0.300 . 1 . . . . 16 THR C . 10025 1 120 . 1 1 16 16 THR CA C 13 60.317 0.300 . 1 . . . . 16 THR CA . 10025 1 121 . 1 1 16 16 THR CB C 13 71.705 0.300 . 1 . . . . 16 THR CB . 10025 1 122 . 1 1 16 16 THR CG2 C 13 21.968 0.300 . 1 . . . . 16 THR CG2 . 10025 1 123 . 1 1 16 16 THR N N 15 113.798 0.300 . 1 . . . . 16 THR N . 10025 1 124 . 1 1 17 17 SER H H 1 8.851 0.030 . 1 . . . . 17 SER H . 10025 1 125 . 1 1 17 17 SER HA H 1 4.733 0.030 . 1 . . . . 17 SER HA . 10025 1 126 . 1 1 17 17 SER HB2 H 1 3.950 0.030 . 2 . . . . 17 SER HB2 . 10025 1 127 . 1 1 17 17 SER HB3 H 1 3.651 0.030 . 2 . . . . 17 SER HB3 . 10025 1 128 . 1 1 17 17 SER C C 13 174.350 0.300 . 1 . . . . 17 SER C . 10025 1 129 . 1 1 17 17 SER CA C 13 57.833 0.300 . 1 . . . . 17 SER CA . 10025 1 130 . 1 1 17 17 SER CB C 13 65.175 0.300 . 1 . . . . 17 SER CB . 10025 1 131 . 1 1 17 17 SER N N 15 113.599 0.300 . 1 . . . . 17 SER N . 10025 1 132 . 1 1 18 18 SER H H 1 9.021 0.030 . 1 . . . . 18 SER H . 10025 1 133 . 1 1 18 18 SER HA H 1 4.720 0.030 . 1 . . . . 18 SER HA . 10025 1 134 . 1 1 18 18 SER HB2 H 1 4.071 0.030 . 2 . . . . 18 SER HB2 . 10025 1 135 . 1 1 18 18 SER HB3 H 1 3.868 0.030 . 2 . . . . 18 SER HB3 . 10025 1 136 . 1 1 18 18 SER C C 13 174.691 0.300 . 1 . . . . 18 SER C . 10025 1 137 . 1 1 18 18 SER CA C 13 58.185 0.300 . 1 . . . . 18 SER CA . 10025 1 138 . 1 1 18 18 SER CB C 13 63.897 0.300 . 1 . . . . 18 SER CB . 10025 1 139 . 1 1 18 18 SER N N 15 120.591 0.300 . 1 . . . . 18 SER N . 10025 1 140 . 1 1 19 19 MET H H 1 8.628 0.030 . 1 . . . . 19 MET H . 10025 1 141 . 1 1 19 19 MET HA H 1 4.111 0.030 . 1 . . . . 19 MET HA . 10025 1 142 . 1 1 19 19 MET HB2 H 1 2.026 0.030 . 2 . . . . 19 MET HB2 . 10025 1 143 . 1 1 19 19 MET HB3 H 1 1.991 0.030 . 2 . . . . 19 MET HB3 . 10025 1 144 . 1 1 19 19 MET HG2 H 1 2.651 0.030 . 2 . . . . 19 MET HG2 . 10025 1 145 . 1 1 19 19 MET HG3 H 1 2.584 0.030 . 2 . . . . 19 MET HG3 . 10025 1 146 . 1 1 19 19 MET HE1 H 1 2.068 0.030 . 1 . . . . 19 MET HE . 10025 1 147 . 1 1 19 19 MET HE2 H 1 2.068 0.030 . 1 . . . . 19 MET HE . 10025 1 148 . 1 1 19 19 MET HE3 H 1 2.068 0.030 . 1 . . . . 19 MET HE . 10025 1 149 . 1 1 19 19 MET C C 13 174.215 0.300 . 1 . . . . 19 MET C . 10025 1 150 . 1 1 19 19 MET CA C 13 56.525 0.300 . 1 . . . . 19 MET CA . 10025 1 151 . 1 1 19 19 MET CB C 13 34.509 0.300 . 1 . . . . 19 MET CB . 10025 1 152 . 1 1 19 19 MET CG C 13 32.447 0.300 . 1 . . . . 19 MET CG . 10025 1 153 . 1 1 19 19 MET CE C 13 16.659 0.300 . 1 . . . . 19 MET CE . 10025 1 154 . 1 1 19 19 MET N N 15 124.097 0.300 . 1 . . . . 19 MET N . 10025 1 155 . 1 1 20 20 ASP H H 1 8.716 0.030 . 1 . . . . 20 ASP H . 10025 1 156 . 1 1 20 20 ASP HA H 1 4.659 0.030 . 1 . . . . 20 ASP HA . 10025 1 157 . 1 1 20 20 ASP HB2 H 1 2.755 0.030 . 1 . . . . 20 ASP HB2 . 10025 1 158 . 1 1 20 20 ASP HB3 H 1 2.755 0.030 . 1 . . . . 20 ASP HB3 . 10025 1 159 . 1 1 20 20 ASP C C 13 176.618 0.300 . 1 . . . . 20 ASP C . 10025 1 160 . 1 1 20 20 ASP CA C 13 52.863 0.300 . 1 . . . . 20 ASP CA . 10025 1 161 . 1 1 20 20 ASP CB C 13 42.518 0.300 . 1 . . . . 20 ASP CB . 10025 1 162 . 1 1 20 20 ASP N N 15 122.280 0.300 . 1 . . . . 20 ASP N . 10025 1 163 . 1 1 21 21 PRO HA H 1 4.164 0.030 . 1 . . . . 21 PRO HA . 10025 1 164 . 1 1 21 21 PRO HB2 H 1 1.522 0.030 . 1 . . . . 21 PRO HB2 . 10025 1 165 . 1 1 21 21 PRO HB3 H 1 1.522 0.030 . 1 . . . . 21 PRO HB3 . 10025 1 166 . 1 1 21 21 PRO HG2 H 1 1.906 0.030 . 2 . . . . 21 PRO HG2 . 10025 1 167 . 1 1 21 21 PRO HG3 H 1 1.578 0.030 . 2 . . . . 21 PRO HG3 . 10025 1 168 . 1 1 21 21 PRO HD2 H 1 3.807 0.030 . 2 . . . . 21 PRO HD2 . 10025 1 169 . 1 1 21 21 PRO HD3 H 1 3.738 0.030 . 2 . . . . 21 PRO HD3 . 10025 1 170 . 1 1 21 21 PRO CA C 13 65.749 0.300 . 1 . . . . 21 PRO CA . 10025 1 171 . 1 1 21 21 PRO CB C 13 32.513 0.300 . 1 . . . . 21 PRO CB . 10025 1 172 . 1 1 21 21 PRO CG C 13 27.705 0.300 . 1 . . . . 21 PRO CG . 10025 1 173 . 1 1 21 21 PRO CD C 13 51.097 0.300 . 1 . . . . 21 PRO CD . 10025 1 174 . 1 1 22 22 SER H H 1 8.866 0.030 . 1 . . . . 22 SER H . 10025 1 175 . 1 1 22 22 SER HA H 1 4.380 0.030 . 1 . . . . 22 SER HA . 10025 1 176 . 1 1 22 22 SER HB2 H 1 4.062 0.030 . 2 . . . . 22 SER HB2 . 10025 1 177 . 1 1 22 22 SER HB3 H 1 3.993 0.030 . 2 . . . . 22 SER HB3 . 10025 1 178 . 1 1 22 22 SER C C 13 177.692 0.300 . 1 . . . . 22 SER C . 10025 1 179 . 1 1 22 22 SER CA C 13 62.732 0.300 . 1 . . . . 22 SER CA . 10025 1 180 . 1 1 22 22 SER CB C 13 62.418 0.300 . 1 . . . . 22 SER CB . 10025 1 181 . 1 1 23 23 ASP H H 1 7.614 0.030 . 1 . . . . 23 ASP H . 10025 1 182 . 1 1 23 23 ASP HA H 1 4.611 0.030 . 1 . . . . 23 ASP HA . 10025 1 183 . 1 1 23 23 ASP HB2 H 1 2.922 0.030 . 2 . . . . 23 ASP HB2 . 10025 1 184 . 1 1 23 23 ASP HB3 H 1 2.845 0.030 . 2 . . . . 23 ASP HB3 . 10025 1 185 . 1 1 23 23 ASP C C 13 179.265 0.300 . 1 . . . . 23 ASP C . 10025 1 186 . 1 1 23 23 ASP CA C 13 57.392 0.300 . 1 . . . . 23 ASP CA . 10025 1 187 . 1 1 23 23 ASP CB C 13 40.418 0.300 . 1 . . . . 23 ASP CB . 10025 1 188 . 1 1 23 23 ASP N N 15 124.671 0.300 . 1 . . . . 23 ASP N . 10025 1 189 . 1 1 24 24 MET H H 1 8.345 0.030 . 1 . . . . 24 MET H . 10025 1 190 . 1 1 24 24 MET HA H 1 3.900 0.030 . 1 . . . . 24 MET HA . 10025 1 191 . 1 1 24 24 MET HB2 H 1 2.294 0.030 . 2 . . . . 24 MET HB2 . 10025 1 192 . 1 1 24 24 MET HB3 H 1 1.945 0.030 . 2 . . . . 24 MET HB3 . 10025 1 193 . 1 1 24 24 MET HG2 H 1 2.449 0.030 . 1 . . . . 24 MET HG2 . 10025 1 194 . 1 1 24 24 MET HG3 H 1 2.449 0.030 . 1 . . . . 24 MET HG3 . 10025 1 195 . 1 1 24 24 MET HE1 H 1 1.772 0.030 . 1 . . . . 24 MET HE . 10025 1 196 . 1 1 24 24 MET HE2 H 1 1.772 0.030 . 1 . . . . 24 MET HE . 10025 1 197 . 1 1 24 24 MET HE3 H 1 1.772 0.030 . 1 . . . . 24 MET HE . 10025 1 198 . 1 1 24 24 MET C C 13 178.228 0.300 . 1 . . . . 24 MET C . 10025 1 199 . 1 1 24 24 MET CA C 13 59.944 0.300 . 1 . . . . 24 MET CA . 10025 1 200 . 1 1 24 24 MET CB C 13 32.717 0.300 . 1 . . . . 24 MET CB . 10025 1 201 . 1 1 24 24 MET CG C 13 31.971 0.300 . 1 . . . . 24 MET CG . 10025 1 202 . 1 1 24 24 MET CE C 13 16.159 0.300 . 1 . . . . 24 MET CE . 10025 1 203 . 1 1 24 24 MET N N 15 120.579 0.300 . 1 . . . . 24 MET N . 10025 1 204 . 1 1 25 25 MET H H 1 8.159 0.030 . 1 . . . . 25 MET H . 10025 1 205 . 1 1 25 25 MET HA H 1 4.351 0.030 . 1 . . . . 25 MET HA . 10025 1 206 . 1 1 25 25 MET HB2 H 1 2.455 0.030 . 2 . . . . 25 MET HB2 . 10025 1 207 . 1 1 25 25 MET HB3 H 1 2.107 0.030 . 2 . . . . 25 MET HB3 . 10025 1 208 . 1 1 25 25 MET HG2 H 1 3.054 0.030 . 2 . . . . 25 MET HG2 . 10025 1 209 . 1 1 25 25 MET HG3 H 1 2.951 0.030 . 2 . . . . 25 MET HG3 . 10025 1 210 . 1 1 25 25 MET HE1 H 1 1.970 0.030 . 1 . . . . 25 MET HE . 10025 1 211 . 1 1 25 25 MET HE2 H 1 1.970 0.030 . 1 . . . . 25 MET HE . 10025 1 212 . 1 1 25 25 MET HE3 H 1 1.970 0.030 . 1 . . . . 25 MET HE . 10025 1 213 . 1 1 25 25 MET C C 13 178.094 0.300 . 1 . . . . 25 MET C . 10025 1 214 . 1 1 25 25 MET CA C 13 56.947 0.300 . 1 . . . . 25 MET CA . 10025 1 215 . 1 1 25 25 MET CB C 13 30.437 0.300 . 1 . . . . 25 MET CB . 10025 1 216 . 1 1 25 25 MET CG C 13 32.761 0.300 . 1 . . . . 25 MET CG . 10025 1 217 . 1 1 25 25 MET CE C 13 15.890 0.300 . 1 . . . . 25 MET CE . 10025 1 218 . 1 1 25 25 MET N N 15 116.081 0.300 . 1 . . . . 25 MET N . 10025 1 219 . 1 1 26 26 ARG H H 1 7.404 0.030 . 1 . . . . 26 ARG H . 10025 1 220 . 1 1 26 26 ARG HA H 1 3.977 0.030 . 1 . . . . 26 ARG HA . 10025 1 221 . 1 1 26 26 ARG HB2 H 1 2.155 0.030 . 2 . . . . 26 ARG HB2 . 10025 1 222 . 1 1 26 26 ARG HB3 H 1 2.056 0.030 . 2 . . . . 26 ARG HB3 . 10025 1 223 . 1 1 26 26 ARG HG2 H 1 1.911 0.030 . 2 . . . . 26 ARG HG2 . 10025 1 224 . 1 1 26 26 ARG HG3 H 1 1.577 0.030 . 2 . . . . 26 ARG HG3 . 10025 1 225 . 1 1 26 26 ARG HD2 H 1 3.345 0.030 . 1 . . . . 26 ARG HD2 . 10025 1 226 . 1 1 26 26 ARG HD3 H 1 3.345 0.030 . 1 . . . . 26 ARG HD3 . 10025 1 227 . 1 1 26 26 ARG C C 13 179.107 0.300 . 1 . . . . 26 ARG C . 10025 1 228 . 1 1 26 26 ARG CA C 13 60.142 0.300 . 1 . . . . 26 ARG CA . 10025 1 229 . 1 1 26 26 ARG CB C 13 30.014 0.300 . 1 . . . . 26 ARG CB . 10025 1 230 . 1 1 26 26 ARG CG C 13 27.981 0.300 . 1 . . . . 26 ARG CG . 10025 1 231 . 1 1 26 26 ARG CD C 13 43.360 0.300 . 1 . . . . 26 ARG CD . 10025 1 232 . 1 1 26 26 ARG N N 15 119.480 0.300 . 1 . . . . 26 ARG N . 10025 1 233 . 1 1 27 27 GLU H H 1 7.615 0.030 . 1 . . . . 27 GLU H . 10025 1 234 . 1 1 27 27 GLU HA H 1 4.258 0.030 . 1 . . . . 27 GLU HA . 10025 1 235 . 1 1 27 27 GLU HB2 H 1 2.097 0.030 . 1 . . . . 27 GLU HB2 . 10025 1 236 . 1 1 27 27 GLU HB3 H 1 2.097 0.030 . 1 . . . . 27 GLU HB3 . 10025 1 237 . 1 1 27 27 GLU HG2 H 1 2.458 0.030 . 2 . . . . 27 GLU HG2 . 10025 1 238 . 1 1 27 27 GLU HG3 H 1 2.241 0.030 . 2 . . . . 27 GLU HG3 . 10025 1 239 . 1 1 27 27 GLU C C 13 178.411 0.300 . 1 . . . . 27 GLU C . 10025 1 240 . 1 1 27 27 GLU CA C 13 58.560 0.300 . 1 . . . . 27 GLU CA . 10025 1 241 . 1 1 27 27 GLU CB C 13 28.825 0.300 . 1 . . . . 27 GLU CB . 10025 1 242 . 1 1 27 27 GLU CG C 13 34.903 0.300 . 1 . . . . 27 GLU CG . 10025 1 243 . 1 1 27 27 GLU N N 15 120.488 0.300 . 1 . . . . 27 GLU N . 10025 1 244 . 1 1 28 28 ILE H H 1 8.567 0.030 . 1 . . . . 28 ILE H . 10025 1 245 . 1 1 28 28 ILE HA H 1 3.446 0.030 . 1 . . . . 28 ILE HA . 10025 1 246 . 1 1 28 28 ILE HB H 1 1.848 0.030 . 1 . . . . 28 ILE HB . 10025 1 247 . 1 1 28 28 ILE HG12 H 1 1.881 0.030 . 2 . . . . 28 ILE HG12 . 10025 1 248 . 1 1 28 28 ILE HG13 H 1 0.711 0.030 . 2 . . . . 28 ILE HG13 . 10025 1 249 . 1 1 28 28 ILE HG21 H 1 0.626 0.030 . 1 . . . . 28 ILE HG2 . 10025 1 250 . 1 1 28 28 ILE HG22 H 1 0.626 0.030 . 1 . . . . 28 ILE HG2 . 10025 1 251 . 1 1 28 28 ILE HG23 H 1 0.626 0.030 . 1 . . . . 28 ILE HG2 . 10025 1 252 . 1 1 28 28 ILE HD11 H 1 0.669 0.030 . 1 . . . . 28 ILE HD1 . 10025 1 253 . 1 1 28 28 ILE HD12 H 1 0.669 0.030 . 1 . . . . 28 ILE HD1 . 10025 1 254 . 1 1 28 28 ILE HD13 H 1 0.669 0.030 . 1 . . . . 28 ILE HD1 . 10025 1 255 . 1 1 28 28 ILE C C 13 177.631 0.300 . 1 . . . . 28 ILE C . 10025 1 256 . 1 1 28 28 ILE CA C 13 66.009 0.300 . 1 . . . . 28 ILE CA . 10025 1 257 . 1 1 28 28 ILE CB C 13 38.341 0.300 . 1 . . . . 28 ILE CB . 10025 1 258 . 1 1 28 28 ILE CG1 C 13 30.251 0.300 . 1 . . . . 28 ILE CG1 . 10025 1 259 . 1 1 28 28 ILE CG2 C 13 19.278 0.300 . 1 . . . . 28 ILE CG2 . 10025 1 260 . 1 1 28 28 ILE CD1 C 13 14.685 0.300 . 1 . . . . 28 ILE CD1 . 10025 1 261 . 1 1 28 28 ILE N N 15 119.691 0.300 . 1 . . . . 28 ILE N . 10025 1 262 . 1 1 29 29 ARG H H 1 8.240 0.030 . 1 . . . . 29 ARG H . 10025 1 263 . 1 1 29 29 ARG HA H 1 3.355 0.030 . 1 . . . . 29 ARG HA . 10025 1 264 . 1 1 29 29 ARG HB2 H 1 1.835 0.030 . 1 . . . . 29 ARG HB2 . 10025 1 265 . 1 1 29 29 ARG HB3 H 1 1.835 0.030 . 1 . . . . 29 ARG HB3 . 10025 1 266 . 1 1 29 29 ARG HG2 H 1 1.817 0.030 . 2 . . . . 29 ARG HG2 . 10025 1 267 . 1 1 29 29 ARG HG3 H 1 0.836 0.030 . 2 . . . . 29 ARG HG3 . 10025 1 268 . 1 1 29 29 ARG HD2 H 1 3.343 0.030 . 2 . . . . 29 ARG HD2 . 10025 1 269 . 1 1 29 29 ARG HD3 H 1 3.294 0.030 . 2 . . . . 29 ARG HD3 . 10025 1 270 . 1 1 29 29 ARG C C 13 179.314 0.300 . 1 . . . . 29 ARG C . 10025 1 271 . 1 1 29 29 ARG CA C 13 61.146 0.300 . 1 . . . . 29 ARG CA . 10025 1 272 . 1 1 29 29 ARG CB C 13 30.431 0.300 . 1 . . . . 29 ARG CB . 10025 1 273 . 1 1 29 29 ARG CG C 13 29.334 0.300 . 1 . . . . 29 ARG CG . 10025 1 274 . 1 1 29 29 ARG CD C 13 43.554 0.300 . 1 . . . . 29 ARG CD . 10025 1 275 . 1 1 29 29 ARG N N 15 117.193 0.300 . 1 . . . . 29 ARG N . 10025 1 276 . 1 1 30 30 LYS H H 1 7.637 0.030 . 1 . . . . 30 LYS H . 10025 1 277 . 1 1 30 30 LYS HA H 1 4.093 0.030 . 1 . . . . 30 LYS HA . 10025 1 278 . 1 1 30 30 LYS HB2 H 1 2.146 0.030 . 2 . . . . 30 LYS HB2 . 10025 1 279 . 1 1 30 30 LYS HB3 H 1 2.021 0.030 . 2 . . . . 30 LYS HB3 . 10025 1 280 . 1 1 30 30 LYS HG2 H 1 1.650 0.030 . 2 . . . . 30 LYS HG2 . 10025 1 281 . 1 1 30 30 LYS HG3 H 1 1.390 0.030 . 2 . . . . 30 LYS HG3 . 10025 1 282 . 1 1 30 30 LYS HD2 H 1 1.776 0.030 . 1 . . . . 30 LYS HD2 . 10025 1 283 . 1 1 30 30 LYS HD3 H 1 1.776 0.030 . 1 . . . . 30 LYS HD3 . 10025 1 284 . 1 1 30 30 LYS HE2 H 1 2.987 0.030 . 1 . . . . 30 LYS HE2 . 10025 1 285 . 1 1 30 30 LYS HE3 H 1 2.987 0.030 . 1 . . . . 30 LYS HE3 . 10025 1 286 . 1 1 30 30 LYS C C 13 179.436 0.300 . 1 . . . . 30 LYS C . 10025 1 287 . 1 1 30 30 LYS CA C 13 59.947 0.300 . 1 . . . . 30 LYS CA . 10025 1 288 . 1 1 30 30 LYS CB C 13 32.367 0.300 . 1 . . . . 30 LYS CB . 10025 1 289 . 1 1 30 30 LYS CG C 13 24.559 0.300 . 1 . . . . 30 LYS CG . 10025 1 290 . 1 1 30 30 LYS CD C 13 29.692 0.300 . 1 . . . . 30 LYS CD . 10025 1 291 . 1 1 30 30 LYS CE C 13 41.989 0.300 . 1 . . . . 30 LYS CE . 10025 1 292 . 1 1 30 30 LYS N N 15 120.687 0.300 . 1 . . . . 30 LYS N . 10025 1 293 . 1 1 31 31 VAL H H 1 8.088 0.030 . 1 . . . . 31 VAL H . 10025 1 294 . 1 1 31 31 VAL HA H 1 3.833 0.030 . 1 . . . . 31 VAL HA . 10025 1 295 . 1 1 31 31 VAL HB H 1 2.052 0.030 . 1 . . . . 31 VAL HB . 10025 1 296 . 1 1 31 31 VAL HG11 H 1 1.130 0.030 . 1 . . . . 31 VAL HG1 . 10025 1 297 . 1 1 31 31 VAL HG12 H 1 1.130 0.030 . 1 . . . . 31 VAL HG1 . 10025 1 298 . 1 1 31 31 VAL HG13 H 1 1.130 0.030 . 1 . . . . 31 VAL HG1 . 10025 1 299 . 1 1 31 31 VAL HG21 H 1 1.110 0.030 . 1 . . . . 31 VAL HG2 . 10025 1 300 . 1 1 31 31 VAL HG22 H 1 1.110 0.030 . 1 . . . . 31 VAL HG2 . 10025 1 301 . 1 1 31 31 VAL HG23 H 1 1.110 0.030 . 1 . . . . 31 VAL HG2 . 10025 1 302 . 1 1 31 31 VAL C C 13 179.741 0.300 . 1 . . . . 31 VAL C . 10025 1 303 . 1 1 31 31 VAL CA C 13 66.553 0.300 . 1 . . . . 31 VAL CA . 10025 1 304 . 1 1 31 31 VAL CB C 13 32.249 0.300 . 1 . . . . 31 VAL CB . 10025 1 305 . 1 1 31 31 VAL CG1 C 13 24.397 0.300 . 2 . . . . 31 VAL CG1 . 10025 1 306 . 1 1 31 31 VAL CG2 C 13 23.358 0.300 . 2 . . . . 31 VAL CG2 . 10025 1 307 . 1 1 31 31 VAL N N 15 121.858 0.300 . 1 . . . . 31 VAL N . 10025 1 308 . 1 1 32 32 LEU H H 1 8.973 0.030 . 1 . . . . 32 LEU H . 10025 1 309 . 1 1 32 32 LEU HA H 1 4.125 0.030 . 1 . . . . 32 LEU HA . 10025 1 310 . 1 1 32 32 LEU HB2 H 1 1.899 0.030 . 2 . . . . 32 LEU HB2 . 10025 1 311 . 1 1 32 32 LEU HB3 H 1 1.364 0.030 . 2 . . . . 32 LEU HB3 . 10025 1 312 . 1 1 32 32 LEU HG H 1 1.839 0.030 . 1 . . . . 32 LEU HG . 10025 1 313 . 1 1 32 32 LEU HD11 H 1 0.506 0.030 . 1 . . . . 32 LEU HD1 . 10025 1 314 . 1 1 32 32 LEU HD12 H 1 0.506 0.030 . 1 . . . . 32 LEU HD1 . 10025 1 315 . 1 1 32 32 LEU HD13 H 1 0.506 0.030 . 1 . . . . 32 LEU HD1 . 10025 1 316 . 1 1 32 32 LEU HD21 H 1 1.093 0.030 . 1 . . . . 32 LEU HD2 . 10025 1 317 . 1 1 32 32 LEU HD22 H 1 1.093 0.030 . 1 . . . . 32 LEU HD2 . 10025 1 318 . 1 1 32 32 LEU HD23 H 1 1.093 0.030 . 1 . . . . 32 LEU HD2 . 10025 1 319 . 1 1 32 32 LEU C C 13 180.595 0.300 . 1 . . . . 32 LEU C . 10025 1 320 . 1 1 32 32 LEU CA C 13 58.820 0.300 . 1 . . . . 32 LEU CA . 10025 1 321 . 1 1 32 32 LEU CB C 13 41.925 0.300 . 1 . . . . 32 LEU CB . 10025 1 322 . 1 1 32 32 LEU CG C 13 27.211 0.300 . 1 . . . . 32 LEU CG . 10025 1 323 . 1 1 32 32 LEU CD1 C 13 28.439 0.300 . 2 . . . . 32 LEU CD1 . 10025 1 324 . 1 1 32 32 LEU CD2 C 13 23.512 0.300 . 2 . . . . 32 LEU CD2 . 10025 1 325 . 1 1 32 32 LEU N N 15 122.679 0.300 . 1 . . . . 32 LEU N . 10025 1 326 . 1 1 33 33 GLY H H 1 8.354 0.030 . 1 . . . . 33 GLY H . 10025 1 327 . 1 1 33 33 GLY HA2 H 1 4.249 0.030 . 2 . . . . 33 GLY HA2 . 10025 1 328 . 1 1 33 33 GLY HA3 H 1 4.200 0.030 . 2 . . . . 33 GLY HA3 . 10025 1 329 . 1 1 33 33 GLY C C 13 177.728 0.300 . 1 . . . . 33 GLY C . 10025 1 330 . 1 1 33 33 GLY CA C 13 47.594 0.300 . 1 . . . . 33 GLY CA . 10025 1 331 . 1 1 33 33 GLY N N 15 106.759 0.300 . 1 . . . . 33 GLY N . 10025 1 332 . 1 1 34 34 ALA H H 1 8.200 0.030 . 1 . . . . 34 ALA H . 10025 1 333 . 1 1 34 34 ALA HA H 1 4.368 0.030 . 1 . . . . 34 ALA HA . 10025 1 334 . 1 1 34 34 ALA HB1 H 1 1.610 0.030 . 1 . . . . 34 ALA HB . 10025 1 335 . 1 1 34 34 ALA HB2 H 1 1.610 0.030 . 1 . . . . 34 ALA HB . 10025 1 336 . 1 1 34 34 ALA HB3 H 1 1.610 0.030 . 1 . . . . 34 ALA HB . 10025 1 337 . 1 1 34 34 ALA C C 13 178.362 0.300 . 1 . . . . 34 ALA C . 10025 1 338 . 1 1 34 34 ALA CA C 13 54.256 0.300 . 1 . . . . 34 ALA CA . 10025 1 339 . 1 1 34 34 ALA CB C 13 18.649 0.300 . 1 . . . . 34 ALA CB . 10025 1 340 . 1 1 34 34 ALA N N 15 124.472 0.300 . 1 . . . . 34 ALA N . 10025 1 341 . 1 1 35 35 ASN H H 1 7.550 0.030 . 1 . . . . 35 ASN H . 10025 1 342 . 1 1 35 35 ASN HA H 1 4.808 0.030 . 1 . . . . 35 ASN HA . 10025 1 343 . 1 1 35 35 ASN HB2 H 1 2.919 0.030 . 2 . . . . 35 ASN HB2 . 10025 1 344 . 1 1 35 35 ASN HB3 H 1 2.613 0.030 . 2 . . . . 35 ASN HB3 . 10025 1 345 . 1 1 35 35 ASN HD21 H 1 8.009 0.030 . 2 . . . . 35 ASN HD21 . 10025 1 346 . 1 1 35 35 ASN HD22 H 1 7.715 0.030 . 2 . . . . 35 ASN HD22 . 10025 1 347 . 1 1 35 35 ASN C C 13 173.325 0.300 . 1 . . . . 35 ASN C . 10025 1 348 . 1 1 35 35 ASN CA C 13 54.115 0.300 . 1 . . . . 35 ASN CA . 10025 1 349 . 1 1 35 35 ASN CB C 13 41.101 0.300 . 1 . . . . 35 ASN CB . 10025 1 350 . 1 1 35 35 ASN N N 15 115.049 0.300 . 1 . . . . 35 ASN N . 10025 1 351 . 1 1 35 35 ASN ND2 N 15 116.378 0.300 . 1 . . . . 35 ASN ND2 . 10025 1 352 . 1 1 36 36 ASN H H 1 8.232 0.030 . 1 . . . . 36 ASN H . 10025 1 353 . 1 1 36 36 ASN HA H 1 4.633 0.030 . 1 . . . . 36 ASN HA . 10025 1 354 . 1 1 36 36 ASN HB2 H 1 3.277 0.030 . 2 . . . . 36 ASN HB2 . 10025 1 355 . 1 1 36 36 ASN HB3 H 1 3.071 0.030 . 2 . . . . 36 ASN HB3 . 10025 1 356 . 1 1 36 36 ASN HD21 H 1 7.718 0.030 . 2 . . . . 36 ASN HD21 . 10025 1 357 . 1 1 36 36 ASN HD22 H 1 6.928 0.030 . 2 . . . . 36 ASN HD22 . 10025 1 358 . 1 1 36 36 ASN C C 13 174.935 0.300 . 1 . . . . 36 ASN C . 10025 1 359 . 1 1 36 36 ASN CA C 13 55.049 0.300 . 1 . . . . 36 ASN CA . 10025 1 360 . 1 1 36 36 ASN CB C 13 37.311 0.300 . 1 . . . . 36 ASN CB . 10025 1 361 . 1 1 36 36 ASN N N 15 114.137 0.300 . 1 . . . . 36 ASN N . 10025 1 362 . 1 1 36 36 ASN ND2 N 15 112.714 0.300 . 1 . . . . 36 ASN ND2 . 10025 1 363 . 1 1 37 37 CYS H H 1 8.249 0.030 . 1 . . . . 37 CYS H . 10025 1 364 . 1 1 37 37 CYS HA H 1 5.280 0.030 . 1 . . . . 37 CYS HA . 10025 1 365 . 1 1 37 37 CYS HB2 H 1 3.061 0.030 . 2 . . . . 37 CYS HB2 . 10025 1 366 . 1 1 37 37 CYS HB3 H 1 2.706 0.030 . 2 . . . . 37 CYS HB3 . 10025 1 367 . 1 1 37 37 CYS C C 13 174.727 0.300 . 1 . . . . 37 CYS C . 10025 1 368 . 1 1 37 37 CYS CA C 13 58.308 0.300 . 1 . . . . 37 CYS CA . 10025 1 369 . 1 1 37 37 CYS CB C 13 29.483 0.300 . 1 . . . . 37 CYS CB . 10025 1 370 . 1 1 37 37 CYS N N 15 115.006 0.300 . 1 . . . . 37 CYS N . 10025 1 371 . 1 1 38 38 ASP H H 1 8.531 0.030 . 1 . . . . 38 ASP H . 10025 1 372 . 1 1 38 38 ASP HA H 1 4.833 0.030 . 1 . . . . 38 ASP HA . 10025 1 373 . 1 1 38 38 ASP HB2 H 1 2.629 0.030 . 2 . . . . 38 ASP HB2 . 10025 1 374 . 1 1 38 38 ASP HB3 H 1 2.470 0.030 . 2 . . . . 38 ASP HB3 . 10025 1 375 . 1 1 38 38 ASP C C 13 175.106 0.300 . 1 . . . . 38 ASP C . 10025 1 376 . 1 1 38 38 ASP CA C 13 53.780 0.300 . 1 . . . . 38 ASP CA . 10025 1 377 . 1 1 38 38 ASP CB C 13 42.749 0.300 . 1 . . . . 38 ASP CB . 10025 1 378 . 1 1 38 38 ASP N N 15 124.472 0.300 . 1 . . . . 38 ASP N . 10025 1 379 . 1 1 39 39 TYR H H 1 7.933 0.030 . 1 . . . . 39 TYR H . 10025 1 380 . 1 1 39 39 TYR HA H 1 5.824 0.030 . 1 . . . . 39 TYR HA . 10025 1 381 . 1 1 39 39 TYR HB2 H 1 2.879 0.030 . 2 . . . . 39 TYR HB2 . 10025 1 382 . 1 1 39 39 TYR HB3 H 1 2.677 0.030 . 2 . . . . 39 TYR HB3 . 10025 1 383 . 1 1 39 39 TYR HD1 H 1 6.712 0.030 . 1 . . . . 39 TYR HD1 . 10025 1 384 . 1 1 39 39 TYR HD2 H 1 6.712 0.030 . 1 . . . . 39 TYR HD2 . 10025 1 385 . 1 1 39 39 TYR HE1 H 1 6.789 0.030 . 1 . . . . 39 TYR HE1 . 10025 1 386 . 1 1 39 39 TYR HE2 H 1 6.789 0.030 . 1 . . . . 39 TYR HE2 . 10025 1 387 . 1 1 39 39 TYR C C 13 174.081 0.300 . 1 . . . . 39 TYR C . 10025 1 388 . 1 1 39 39 TYR CA C 13 55.600 0.300 . 1 . . . . 39 TYR CA . 10025 1 389 . 1 1 39 39 TYR CB C 13 41.759 0.300 . 1 . . . . 39 TYR CB . 10025 1 390 . 1 1 39 39 TYR CD1 C 13 134.232 0.300 . 1 . . . . 39 TYR CD1 . 10025 1 391 . 1 1 39 39 TYR CD2 C 13 134.232 0.300 . 1 . . . . 39 TYR CD2 . 10025 1 392 . 1 1 39 39 TYR CE1 C 13 117.556 0.300 . 1 . . . . 39 TYR CE1 . 10025 1 393 . 1 1 39 39 TYR CE2 C 13 117.556 0.300 . 1 . . . . 39 TYR CE2 . 10025 1 394 . 1 1 39 39 TYR N N 15 115.249 0.300 . 1 . . . . 39 TYR N . 10025 1 395 . 1 1 40 40 GLU H H 1 9.233 0.030 . 1 . . . . 40 GLU H . 10025 1 396 . 1 1 40 40 GLU HA H 1 4.626 0.030 . 1 . . . . 40 GLU HA . 10025 1 397 . 1 1 40 40 GLU HB2 H 1 2.104 0.030 . 2 . . . . 40 GLU HB2 . 10025 1 398 . 1 1 40 40 GLU HB3 H 1 1.993 0.030 . 2 . . . . 40 GLU HB3 . 10025 1 399 . 1 1 40 40 GLU HG2 H 1 2.303 0.030 . 2 . . . . 40 GLU HG2 . 10025 1 400 . 1 1 40 40 GLU HG3 H 1 2.161 0.030 . 2 . . . . 40 GLU HG3 . 10025 1 401 . 1 1 40 40 GLU C C 13 175.496 0.300 . 1 . . . . 40 GLU C . 10025 1 402 . 1 1 40 40 GLU CA C 13 54.467 0.300 . 1 . . . . 40 GLU CA . 10025 1 403 . 1 1 40 40 GLU CB C 13 33.843 0.300 . 1 . . . . 40 GLU CB . 10025 1 404 . 1 1 40 40 GLU CG C 13 36.056 0.300 . 1 . . . . 40 GLU CG . 10025 1 405 . 1 1 40 40 GLU N N 15 119.045 0.300 . 1 . . . . 40 GLU N . 10025 1 406 . 1 1 41 41 GLN H H 1 9.420 0.030 . 1 . . . . 41 GLN H . 10025 1 407 . 1 1 41 41 GLN HA H 1 4.695 0.030 . 1 . . . . 41 GLN HA . 10025 1 408 . 1 1 41 41 GLN HB2 H 1 2.199 0.030 . 2 . . . . 41 GLN HB2 . 10025 1 409 . 1 1 41 41 GLN HB3 H 1 1.938 0.030 . 2 . . . . 41 GLN HB3 . 10025 1 410 . 1 1 41 41 GLN HG2 H 1 2.367 0.030 . 2 . . . . 41 GLN HG2 . 10025 1 411 . 1 1 41 41 GLN HG3 H 1 2.264 0.030 . 2 . . . . 41 GLN HG3 . 10025 1 412 . 1 1 41 41 GLN HE21 H 1 7.389 0.030 . 2 . . . . 41 GLN HE21 . 10025 1 413 . 1 1 41 41 GLN HE22 H 1 6.317 0.030 . 2 . . . . 41 GLN HE22 . 10025 1 414 . 1 1 41 41 GLN C C 13 175.362 0.300 . 1 . . . . 41 GLN C . 10025 1 415 . 1 1 41 41 GLN CA C 13 56.141 0.300 . 1 . . . . 41 GLN CA . 10025 1 416 . 1 1 41 41 GLN CB C 13 28.042 0.300 . 1 . . . . 41 GLN CB . 10025 1 417 . 1 1 41 41 GLN CG C 13 33.832 0.300 . 1 . . . . 41 GLN CG . 10025 1 418 . 1 1 41 41 GLN N N 15 127.563 0.300 . 1 . . . . 41 GLN N . 10025 1 419 . 1 1 41 41 GLN NE2 N 15 111.663 0.300 . 1 . . . . 41 GLN NE2 . 10025 1 420 . 1 1 42 42 ARG H H 1 8.299 0.030 . 1 . . . . 42 ARG H . 10025 1 421 . 1 1 42 42 ARG HA H 1 4.410 0.030 . 1 . . . . 42 ARG HA . 10025 1 422 . 1 1 42 42 ARG HB2 H 1 1.993 0.030 . 2 . . . . 42 ARG HB2 . 10025 1 423 . 1 1 42 42 ARG HB3 H 1 1.603 0.030 . 2 . . . . 42 ARG HB3 . 10025 1 424 . 1 1 42 42 ARG HG2 H 1 1.745 0.030 . 2 . . . . 42 ARG HG2 . 10025 1 425 . 1 1 42 42 ARG HG3 H 1 1.592 0.030 . 2 . . . . 42 ARG HG3 . 10025 1 426 . 1 1 42 42 ARG HD2 H 1 3.139 0.030 . 2 . . . . 42 ARG HD2 . 10025 1 427 . 1 1 42 42 ARG HD3 H 1 3.065 0.030 . 2 . . . . 42 ARG HD3 . 10025 1 428 . 1 1 42 42 ARG HE H 1 7.236 0.030 . 1 . . . . 42 ARG HE . 10025 1 429 . 1 1 42 42 ARG C C 13 176.045 0.300 . 1 . . . . 42 ARG C . 10025 1 430 . 1 1 42 42 ARG CA C 13 57.252 0.300 . 1 . . . . 42 ARG CA . 10025 1 431 . 1 1 42 42 ARG CB C 13 32.038 0.300 . 1 . . . . 42 ARG CB . 10025 1 432 . 1 1 42 42 ARG CG C 13 27.522 0.300 . 1 . . . . 42 ARG CG . 10025 1 433 . 1 1 42 42 ARG CD C 13 43.036 0.300 . 1 . . . . 42 ARG CD . 10025 1 434 . 1 1 42 42 ARG N N 15 128.408 0.300 . 1 . . . . 42 ARG N . 10025 1 435 . 1 1 42 42 ARG NE N 15 83.482 0.300 . 1 . . . . 42 ARG NE . 10025 1 436 . 1 1 43 43 GLU H H 1 8.336 0.030 . 1 . . . . 43 GLU H . 10025 1 437 . 1 1 43 43 GLU HA H 1 4.531 0.030 . 1 . . . . 43 GLU HA . 10025 1 438 . 1 1 43 43 GLU HB2 H 1 2.380 0.030 . 2 . . . . 43 GLU HB2 . 10025 1 439 . 1 1 43 43 GLU HB3 H 1 1.878 0.030 . 2 . . . . 43 GLU HB3 . 10025 1 440 . 1 1 43 43 GLU HG2 H 1 2.456 0.030 . 2 . . . . 43 GLU HG2 . 10025 1 441 . 1 1 43 43 GLU HG3 H 1 2.272 0.030 . 2 . . . . 43 GLU HG3 . 10025 1 442 . 1 1 43 43 GLU C C 13 176.411 0.300 . 1 . . . . 43 GLU C . 10025 1 443 . 1 1 43 43 GLU CA C 13 54.431 0.300 . 1 . . . . 43 GLU CA . 10025 1 444 . 1 1 43 43 GLU CB C 13 33.843 0.300 . 1 . . . . 43 GLU CB . 10025 1 445 . 1 1 43 43 GLU CG C 13 36.386 0.300 . 1 . . . . 43 GLU CG . 10025 1 446 . 1 1 43 43 GLU N N 15 116.364 0.300 . 1 . . . . 43 GLU N . 10025 1 447 . 1 1 44 44 ARG H H 1 8.863 0.030 . 1 . . . . 44 ARG H . 10025 1 448 . 1 1 44 44 ARG HA H 1 3.652 0.030 . 1 . . . . 44 ARG HA . 10025 1 449 . 1 1 44 44 ARG HB2 H 1 1.520 0.030 . 2 . . . . 44 ARG HB2 . 10025 1 450 . 1 1 44 44 ARG HB3 H 1 1.159 0.030 . 2 . . . . 44 ARG HB3 . 10025 1 451 . 1 1 44 44 ARG HG2 H 1 1.173 0.030 . 2 . . . . 44 ARG HG2 . 10025 1 452 . 1 1 44 44 ARG HG3 H 1 0.664 0.030 . 2 . . . . 44 ARG HG3 . 10025 1 453 . 1 1 44 44 ARG HD2 H 1 2.936 0.030 . 1 . . . . 44 ARG HD2 . 10025 1 454 . 1 1 44 44 ARG HD3 H 1 2.936 0.030 . 1 . . . . 44 ARG HD3 . 10025 1 455 . 1 1 44 44 ARG C C 13 176.448 0.300 . 1 . . . . 44 ARG C . 10025 1 456 . 1 1 44 44 ARG CA C 13 60.387 0.300 . 1 . . . . 44 ARG CA . 10025 1 457 . 1 1 44 44 ARG CB C 13 30.175 0.300 . 1 . . . . 44 ARG CB . 10025 1 458 . 1 1 44 44 ARG CG C 13 26.611 0.300 . 1 . . . . 44 ARG CG . 10025 1 459 . 1 1 44 44 ARG CD C 13 43.631 0.300 . 1 . . . . 44 ARG CD . 10025 1 460 . 1 1 44 44 ARG N N 15 121.002 0.300 . 1 . . . . 44 ARG N . 10025 1 461 . 1 1 45 45 PHE H H 1 7.994 0.030 . 1 . . . . 45 PHE H . 10025 1 462 . 1 1 45 45 PHE HA H 1 5.368 0.030 . 1 . . . . 45 PHE HA . 10025 1 463 . 1 1 45 45 PHE HB2 H 1 3.957 0.030 . 2 . . . . 45 PHE HB2 . 10025 1 464 . 1 1 45 45 PHE HB3 H 1 2.948 0.030 . 2 . . . . 45 PHE HB3 . 10025 1 465 . 1 1 45 45 PHE HD1 H 1 7.263 0.030 . 1 . . . . 45 PHE HD1 . 10025 1 466 . 1 1 45 45 PHE HD2 H 1 7.263 0.030 . 1 . . . . 45 PHE HD2 . 10025 1 467 . 1 1 45 45 PHE HE1 H 1 7.176 0.030 . 1 . . . . 45 PHE HE1 . 10025 1 468 . 1 1 45 45 PHE HE2 H 1 7.176 0.030 . 1 . . . . 45 PHE HE2 . 10025 1 469 . 1 1 45 45 PHE HZ H 1 7.216 0.030 . 1 . . . . 45 PHE HZ . 10025 1 470 . 1 1 45 45 PHE C C 13 173.508 0.300 . 1 . . . . 45 PHE C . 10025 1 471 . 1 1 45 45 PHE CA C 13 55.381 0.300 . 1 . . . . 45 PHE CA . 10025 1 472 . 1 1 45 45 PHE CB C 13 39.555 0.300 . 1 . . . . 45 PHE CB . 10025 1 473 . 1 1 45 45 PHE CD1 C 13 131.954 0.300 . 1 . . . . 45 PHE CD1 . 10025 1 474 . 1 1 45 45 PHE CD2 C 13 131.954 0.300 . 1 . . . . 45 PHE CD2 . 10025 1 475 . 1 1 45 45 PHE CE1 C 13 131.566 0.300 . 1 . . . . 45 PHE CE1 . 10025 1 476 . 1 1 45 45 PHE CE2 C 13 131.566 0.300 . 1 . . . . 45 PHE CE2 . 10025 1 477 . 1 1 45 45 PHE CZ C 13 129.088 0.300 . 1 . . . . 45 PHE CZ . 10025 1 478 . 1 1 45 45 PHE N N 15 111.722 0.300 . 1 . . . . 45 PHE N . 10025 1 479 . 1 1 46 46 LEU H H 1 7.103 0.030 . 1 . . . . 46 LEU H . 10025 1 480 . 1 1 46 46 LEU HA H 1 5.394 0.030 . 1 . . . . 46 LEU HA . 10025 1 481 . 1 1 46 46 LEU HB2 H 1 1.623 0.030 . 2 . . . . 46 LEU HB2 . 10025 1 482 . 1 1 46 46 LEU HB3 H 1 1.465 0.030 . 2 . . . . 46 LEU HB3 . 10025 1 483 . 1 1 46 46 LEU HG H 1 1.452 0.030 . 1 . . . . 46 LEU HG . 10025 1 484 . 1 1 46 46 LEU HD11 H 1 0.984 0.030 . 1 . . . . 46 LEU HD1 . 10025 1 485 . 1 1 46 46 LEU HD12 H 1 0.984 0.030 . 1 . . . . 46 LEU HD1 . 10025 1 486 . 1 1 46 46 LEU HD13 H 1 0.984 0.030 . 1 . . . . 46 LEU HD1 . 10025 1 487 . 1 1 46 46 LEU HD21 H 1 0.868 0.030 . 1 . . . . 46 LEU HD2 . 10025 1 488 . 1 1 46 46 LEU HD22 H 1 0.868 0.030 . 1 . . . . 46 LEU HD2 . 10025 1 489 . 1 1 46 46 LEU HD23 H 1 0.868 0.030 . 1 . . . . 46 LEU HD2 . 10025 1 490 . 1 1 46 46 LEU C C 13 175.106 0.300 . 1 . . . . 46 LEU C . 10025 1 491 . 1 1 46 46 LEU CA C 13 55.137 0.300 . 1 . . . . 46 LEU CA . 10025 1 492 . 1 1 46 46 LEU CB C 13 47.364 0.300 . 1 . . . . 46 LEU CB . 10025 1 493 . 1 1 46 46 LEU CG C 13 28.340 0.300 . 1 . . . . 46 LEU CG . 10025 1 494 . 1 1 46 46 LEU CD1 C 13 24.818 0.300 . 2 . . . . 46 LEU CD1 . 10025 1 495 . 1 1 46 46 LEU CD2 C 13 25.715 0.300 . 2 . . . . 46 LEU CD2 . 10025 1 496 . 1 1 46 46 LEU N N 15 119.153 0.300 . 1 . . . . 46 LEU N . 10025 1 497 . 1 1 47 47 LEU H H 1 9.237 0.030 . 1 . . . . 47 LEU H . 10025 1 498 . 1 1 47 47 LEU HA H 1 5.223 0.030 . 1 . . . . 47 LEU HA . 10025 1 499 . 1 1 47 47 LEU HB2 H 1 1.397 0.030 . 2 . . . . 47 LEU HB2 . 10025 1 500 . 1 1 47 47 LEU HB3 H 1 1.257 0.030 . 2 . . . . 47 LEU HB3 . 10025 1 501 . 1 1 47 47 LEU HG H 1 1.437 0.030 . 1 . . . . 47 LEU HG . 10025 1 502 . 1 1 47 47 LEU HD11 H 1 0.518 0.030 . 1 . . . . 47 LEU HD1 . 10025 1 503 . 1 1 47 47 LEU HD12 H 1 0.518 0.030 . 1 . . . . 47 LEU HD1 . 10025 1 504 . 1 1 47 47 LEU HD13 H 1 0.518 0.030 . 1 . . . . 47 LEU HD1 . 10025 1 505 . 1 1 47 47 LEU HD21 H 1 0.710 0.030 . 1 . . . . 47 LEU HD2 . 10025 1 506 . 1 1 47 47 LEU HD22 H 1 0.710 0.030 . 1 . . . . 47 LEU HD2 . 10025 1 507 . 1 1 47 47 LEU HD23 H 1 0.710 0.030 . 1 . . . . 47 LEU HD2 . 10025 1 508 . 1 1 47 47 LEU C C 13 174.984 0.300 . 1 . . . . 47 LEU C . 10025 1 509 . 1 1 47 47 LEU CA C 13 53.075 0.300 . 1 . . . . 47 LEU CA . 10025 1 510 . 1 1 47 47 LEU CB C 13 45.998 0.300 . 1 . . . . 47 LEU CB . 10025 1 511 . 1 1 47 47 LEU CG C 13 26.987 0.300 . 1 . . . . 47 LEU CG . 10025 1 512 . 1 1 47 47 LEU CD1 C 13 26.909 0.300 . 2 . . . . 47 LEU CD1 . 10025 1 513 . 1 1 47 47 LEU CD2 C 13 24.082 0.300 . 2 . . . . 47 LEU CD2 . 10025 1 514 . 1 1 47 47 LEU N N 15 125.372 0.300 . 1 . . . . 47 LEU N . 10025 1 515 . 1 1 48 48 PHE H H 1 9.053 0.030 . 1 . . . . 48 PHE H . 10025 1 516 . 1 1 48 48 PHE HA H 1 4.896 0.030 . 1 . . . . 48 PHE HA . 10025 1 517 . 1 1 48 48 PHE HB2 H 1 3.018 0.030 . 2 . . . . 48 PHE HB2 . 10025 1 518 . 1 1 48 48 PHE HB3 H 1 2.892 0.030 . 2 . . . . 48 PHE HB3 . 10025 1 519 . 1 1 48 48 PHE HD1 H 1 7.082 0.030 . 1 . . . . 48 PHE HD1 . 10025 1 520 . 1 1 48 48 PHE HD2 H 1 7.082 0.030 . 1 . . . . 48 PHE HD2 . 10025 1 521 . 1 1 48 48 PHE HE1 H 1 7.163 0.030 . 1 . . . . 48 PHE HE1 . 10025 1 522 . 1 1 48 48 PHE HE2 H 1 7.163 0.030 . 1 . . . . 48 PHE HE2 . 10025 1 523 . 1 1 48 48 PHE HZ H 1 7.141 0.030 . 1 . . . . 48 PHE HZ . 10025 1 524 . 1 1 48 48 PHE C C 13 174.520 0.300 . 1 . . . . 48 PHE C . 10025 1 525 . 1 1 48 48 PHE CA C 13 57.551 0.300 . 1 . . . . 48 PHE CA . 10025 1 526 . 1 1 48 48 PHE CB C 13 41.513 0.300 . 1 . . . . 48 PHE CB . 10025 1 527 . 1 1 48 48 PHE CD1 C 13 131.210 0.300 . 1 . . . . 48 PHE CD1 . 10025 1 528 . 1 1 48 48 PHE CD2 C 13 131.210 0.300 . 1 . . . . 48 PHE CD2 . 10025 1 529 . 1 1 48 48 PHE CE1 C 13 131.072 0.300 . 1 . . . . 48 PHE CE1 . 10025 1 530 . 1 1 48 48 PHE CE2 C 13 131.072 0.300 . 1 . . . . 48 PHE CE2 . 10025 1 531 . 1 1 48 48 PHE CZ C 13 129.661 0.300 . 1 . . . . 48 PHE CZ . 10025 1 532 . 1 1 48 48 PHE N N 15 124.181 0.300 . 1 . . . . 48 PHE N . 10025 1 533 . 1 1 49 49 CYS H H 1 8.556 0.030 . 1 . . . . 49 CYS H . 10025 1 534 . 1 1 49 49 CYS HA H 1 4.796 0.030 . 1 . . . . 49 CYS HA . 10025 1 535 . 1 1 49 49 CYS HB2 H 1 1.045 0.030 . 2 . . . . 49 CYS HB2 . 10025 1 536 . 1 1 49 49 CYS HB3 H 1 0.213 0.030 . 2 . . . . 49 CYS HB3 . 10025 1 537 . 1 1 49 49 CYS C C 13 171.837 0.300 . 1 . . . . 49 CYS C . 10025 1 538 . 1 1 49 49 CYS CA C 13 57.180 0.300 . 1 . . . . 49 CYS CA . 10025 1 539 . 1 1 49 49 CYS CB C 13 29.566 0.300 . 1 . . . . 49 CYS CB . 10025 1 540 . 1 1 49 49 CYS N N 15 125.782 0.300 . 1 . . . . 49 CYS N . 10025 1 541 . 1 1 50 50 VAL H H 1 8.401 0.030 . 1 . . . . 50 VAL H . 10025 1 542 . 1 1 50 50 VAL HA H 1 5.118 0.030 . 1 . . . . 50 VAL HA . 10025 1 543 . 1 1 50 50 VAL HB H 1 1.919 0.030 . 1 . . . . 50 VAL HB . 10025 1 544 . 1 1 50 50 VAL HG11 H 1 1.005 0.030 . 1 . . . . 50 VAL HG1 . 10025 1 545 . 1 1 50 50 VAL HG12 H 1 1.005 0.030 . 1 . . . . 50 VAL HG1 . 10025 1 546 . 1 1 50 50 VAL HG13 H 1 1.005 0.030 . 1 . . . . 50 VAL HG1 . 10025 1 547 . 1 1 50 50 VAL HG21 H 1 0.917 0.030 . 1 . . . . 50 VAL HG2 . 10025 1 548 . 1 1 50 50 VAL HG22 H 1 0.917 0.030 . 1 . . . . 50 VAL HG2 . 10025 1 549 . 1 1 50 50 VAL HG23 H 1 0.917 0.030 . 1 . . . . 50 VAL HG2 . 10025 1 550 . 1 1 50 50 VAL C C 13 174.667 0.300 . 1 . . . . 50 VAL C . 10025 1 551 . 1 1 50 50 VAL CA C 13 60.476 0.300 . 1 . . . . 50 VAL CA . 10025 1 552 . 1 1 50 50 VAL CB C 13 35.987 0.300 . 1 . . . . 50 VAL CB . 10025 1 553 . 1 1 50 50 VAL CG1 C 13 21.578 0.300 . 2 . . . . 50 VAL CG1 . 10025 1 554 . 1 1 50 50 VAL CG2 C 13 21.959 0.300 . 2 . . . . 50 VAL CG2 . 10025 1 555 . 1 1 50 50 VAL N N 15 118.894 0.300 . 1 . . . . 50 VAL N . 10025 1 556 . 1 1 51 51 HIS H H 1 9.070 0.030 . 1 . . . . 51 HIS H . 10025 1 557 . 1 1 51 51 HIS HA H 1 5.163 0.030 . 1 . . . . 51 HIS HA . 10025 1 558 . 1 1 51 51 HIS HB2 H 1 3.980 0.030 . 2 . . . . 51 HIS HB2 . 10025 1 559 . 1 1 51 51 HIS HB3 H 1 3.205 0.030 . 2 . . . . 51 HIS HB3 . 10025 1 560 . 1 1 51 51 HIS HD2 H 1 7.755 0.030 . 1 . . . . 51 HIS HD2 . 10025 1 561 . 1 1 51 51 HIS HE1 H 1 8.547 0.030 . 1 . . . . 51 HIS HE1 . 10025 1 562 . 1 1 51 51 HIS C C 13 172.496 0.300 . 1 . . . . 51 HIS C . 10025 1 563 . 1 1 51 51 HIS CA C 13 56.927 0.300 . 1 . . . . 51 HIS CA . 10025 1 564 . 1 1 51 51 HIS CB C 13 33.219 0.300 . 1 . . . . 51 HIS CB . 10025 1 565 . 1 1 51 51 HIS CD2 C 13 122.211 0.300 . 1 . . . . 51 HIS CD2 . 10025 1 566 . 1 1 51 51 HIS CE1 C 13 136.847 0.300 . 1 . . . . 51 HIS CE1 . 10025 1 567 . 1 1 51 51 HIS N N 15 123.145 0.300 . 1 . . . . 51 HIS N . 10025 1 568 . 1 1 52 52 GLY H H 1 7.995 0.030 . 1 . . . . 52 GLY H . 10025 1 569 . 1 1 52 52 GLY HA2 H 1 4.122 0.030 . 1 . . . . 52 GLY HA2 . 10025 1 570 . 1 1 52 52 GLY HA3 H 1 4.122 0.030 . 1 . . . . 52 GLY HA3 . 10025 1 571 . 1 1 52 52 GLY C C 13 172.068 0.300 . 1 . . . . 52 GLY C . 10025 1 572 . 1 1 52 52 GLY CA C 13 44.898 0.300 . 1 . . . . 52 GLY CA . 10025 1 573 . 1 1 52 52 GLY N N 15 112.519 0.300 . 1 . . . . 52 GLY N . 10025 1 574 . 1 1 53 53 ASP H H 1 8.569 0.030 . 1 . . . . 53 ASP H . 10025 1 575 . 1 1 53 53 ASP HA H 1 4.708 0.030 . 1 . . . . 53 ASP HA . 10025 1 576 . 1 1 53 53 ASP HB2 H 1 3.015 0.030 . 2 . . . . 53 ASP HB2 . 10025 1 577 . 1 1 53 53 ASP HB3 H 1 2.608 0.030 . 2 . . . . 53 ASP HB3 . 10025 1 578 . 1 1 53 53 ASP C C 13 177.033 0.300 . 1 . . . . 53 ASP C . 10025 1 579 . 1 1 53 53 ASP CA C 13 53.128 0.300 . 1 . . . . 53 ASP CA . 10025 1 580 . 1 1 53 53 ASP CB C 13 42.131 0.300 . 1 . . . . 53 ASP CB . 10025 1 581 . 1 1 53 53 ASP N N 15 118.695 0.300 . 1 . . . . 53 ASP N . 10025 1 582 . 1 1 54 54 GLY H H 1 8.436 0.030 . 1 . . . . 54 GLY H . 10025 1 583 . 1 1 54 54 GLY HA2 H 1 4.156 0.030 . 2 . . . . 54 GLY HA2 . 10025 1 584 . 1 1 54 54 GLY HA3 H 1 3.683 0.030 . 2 . . . . 54 GLY HA3 . 10025 1 585 . 1 1 54 54 GLY C C 13 174.606 0.300 . 1 . . . . 54 GLY C . 10025 1 586 . 1 1 54 54 GLY CA C 13 45.375 0.300 . 1 . . . . 54 GLY CA . 10025 1 587 . 1 1 54 54 GLY N N 15 109.095 0.300 . 1 . . . . 54 GLY N . 10025 1 588 . 1 1 55 55 HIS H H 1 8.512 0.030 . 1 . . . . 55 HIS H . 10025 1 589 . 1 1 55 55 HIS HA H 1 4.808 0.030 . 1 . . . . 55 HIS HA . 10025 1 590 . 1 1 55 55 HIS HB2 H 1 3.403 0.030 . 2 . . . . 55 HIS HB2 . 10025 1 591 . 1 1 55 55 HIS HB3 H 1 3.317 0.030 . 2 . . . . 55 HIS HB3 . 10025 1 592 . 1 1 55 55 HIS HD2 H 1 7.251 0.030 . 1 . . . . 55 HIS HD2 . 10025 1 593 . 1 1 55 55 HIS HE1 H 1 8.464 0.030 . 1 . . . . 55 HIS HE1 . 10025 1 594 . 1 1 55 55 HIS C C 13 176.057 0.300 . 1 . . . . 55 HIS C . 10025 1 595 . 1 1 55 55 HIS CA C 13 55.330 0.300 . 1 . . . . 55 HIS CA . 10025 1 596 . 1 1 55 55 HIS CB C 13 28.495 0.300 . 1 . . . . 55 HIS CB . 10025 1 597 . 1 1 55 55 HIS CD2 C 13 120.197 0.300 . 1 . . . . 55 HIS CD2 . 10025 1 598 . 1 1 55 55 HIS CE1 C 13 136.539 0.300 . 1 . . . . 55 HIS CE1 . 10025 1 599 . 1 1 55 55 HIS N N 15 119.348 0.300 . 1 . . . . 55 HIS N . 10025 1 600 . 1 1 56 56 ALA H H 1 9.149 0.030 . 1 . . . . 56 ALA H . 10025 1 601 . 1 1 56 56 ALA HA H 1 4.166 0.030 . 1 . . . . 56 ALA HA . 10025 1 602 . 1 1 56 56 ALA HB1 H 1 1.528 0.030 . 1 . . . . 56 ALA HB . 10025 1 603 . 1 1 56 56 ALA HB2 H 1 1.528 0.030 . 1 . . . . 56 ALA HB . 10025 1 604 . 1 1 56 56 ALA HB3 H 1 1.528 0.030 . 1 . . . . 56 ALA HB . 10025 1 605 . 1 1 56 56 ALA C C 13 178.789 0.300 . 1 . . . . 56 ALA C . 10025 1 606 . 1 1 56 56 ALA CA C 13 55.189 0.300 . 1 . . . . 56 ALA CA . 10025 1 607 . 1 1 56 56 ALA CB C 13 18.670 0.300 . 1 . . . . 56 ALA CB . 10025 1 608 . 1 1 56 56 ALA N N 15 129.850 0.300 . 1 . . . . 56 ALA N . 10025 1 609 . 1 1 57 57 GLU H H 1 9.493 0.030 . 1 . . . . 57 GLU H . 10025 1 610 . 1 1 57 57 GLU HA H 1 4.332 0.030 . 1 . . . . 57 GLU HA . 10025 1 611 . 1 1 57 57 GLU HB2 H 1 2.143 0.030 . 2 . . . . 57 GLU HB2 . 10025 1 612 . 1 1 57 57 GLU HB3 H 1 2.079 0.030 . 2 . . . . 57 GLU HB3 . 10025 1 613 . 1 1 57 57 GLU HG2 H 1 2.358 0.030 . 2 . . . . 57 GLU HG2 . 10025 1 614 . 1 1 57 57 GLU HG3 H 1 2.287 0.030 . 2 . . . . 57 GLU HG3 . 10025 1 615 . 1 1 57 57 GLU C C 13 177.387 0.300 . 1 . . . . 57 GLU C . 10025 1 616 . 1 1 57 57 GLU CA C 13 58.026 0.300 . 1 . . . . 57 GLU CA . 10025 1 617 . 1 1 57 57 GLU CB C 13 28.660 0.300 . 1 . . . . 57 GLU CB . 10025 1 618 . 1 1 57 57 GLU CG C 13 35.966 0.300 . 1 . . . . 57 GLU CG . 10025 1 619 . 1 1 57 57 GLU N N 15 115.822 0.300 . 1 . . . . 57 GLU N . 10025 1 620 . 1 1 58 58 ASN H H 1 8.178 0.030 . 1 . . . . 58 ASN H . 10025 1 621 . 1 1 58 58 ASN HA H 1 4.896 0.030 . 1 . . . . 58 ASN HA . 10025 1 622 . 1 1 58 58 ASN HB2 H 1 3.131 0.030 . 2 . . . . 58 ASN HB2 . 10025 1 623 . 1 1 58 58 ASN HB3 H 1 3.032 0.030 . 2 . . . . 58 ASN HB3 . 10025 1 624 . 1 1 58 58 ASN HD21 H 1 8.569 0.030 . 2 . . . . 58 ASN HD21 . 10025 1 625 . 1 1 58 58 ASN HD22 H 1 6.861 0.030 . 2 . . . . 58 ASN HD22 . 10025 1 626 . 1 1 58 58 ASN C C 13 173.972 0.300 . 1 . . . . 58 ASN C . 10025 1 627 . 1 1 58 58 ASN CA C 13 52.494 0.300 . 1 . . . . 58 ASN CA . 10025 1 628 . 1 1 58 58 ASN CB C 13 38.711 0.300 . 1 . . . . 58 ASN CB . 10025 1 629 . 1 1 58 58 ASN N N 15 118.990 0.300 . 1 . . . . 58 ASN N . 10025 1 630 . 1 1 58 58 ASN ND2 N 15 113.700 0.300 . 1 . . . . 58 ASN ND2 . 10025 1 631 . 1 1 59 59 LEU H H 1 7.437 0.030 . 1 . . . . 59 LEU H . 10025 1 632 . 1 1 59 59 LEU HA H 1 4.871 0.030 . 1 . . . . 59 LEU HA . 10025 1 633 . 1 1 59 59 LEU HB2 H 1 1.884 0.030 . 2 . . . . 59 LEU HB2 . 10025 1 634 . 1 1 59 59 LEU HB3 H 1 1.547 0.030 . 2 . . . . 59 LEU HB3 . 10025 1 635 . 1 1 59 59 LEU HG H 1 1.525 0.030 . 1 . . . . 59 LEU HG . 10025 1 636 . 1 1 59 59 LEU HD11 H 1 0.904 0.030 . 1 . . . . 59 LEU HD1 . 10025 1 637 . 1 1 59 59 LEU HD12 H 1 0.904 0.030 . 1 . . . . 59 LEU HD1 . 10025 1 638 . 1 1 59 59 LEU HD13 H 1 0.904 0.030 . 1 . . . . 59 LEU HD1 . 10025 1 639 . 1 1 59 59 LEU HD21 H 1 0.894 0.030 . 1 . . . . 59 LEU HD2 . 10025 1 640 . 1 1 59 59 LEU HD22 H 1 0.894 0.030 . 1 . . . . 59 LEU HD2 . 10025 1 641 . 1 1 59 59 LEU HD23 H 1 0.894 0.030 . 1 . . . . 59 LEU HD2 . 10025 1 642 . 1 1 59 59 LEU C C 13 177.753 0.300 . 1 . . . . 59 LEU C . 10025 1 643 . 1 1 59 59 LEU CA C 13 56.353 0.300 . 1 . . . . 59 LEU CA . 10025 1 644 . 1 1 59 59 LEU CB C 13 42.296 0.300 . 1 . . . . 59 LEU CB . 10025 1 645 . 1 1 59 59 LEU CG C 13 27.534 0.300 . 1 . . . . 59 LEU CG . 10025 1 646 . 1 1 59 59 LEU CD1 C 13 25.321 0.300 . 2 . . . . 59 LEU CD1 . 10025 1 647 . 1 1 59 59 LEU CD2 C 13 23.998 0.300 . 2 . . . . 59 LEU CD2 . 10025 1 648 . 1 1 59 59 LEU N N 15 122.974 0.300 . 1 . . . . 59 LEU N . 10025 1 649 . 1 1 60 60 VAL H H 1 9.387 0.030 . 1 . . . . 60 VAL H . 10025 1 650 . 1 1 60 60 VAL HA H 1 4.921 0.030 . 1 . . . . 60 VAL HA . 10025 1 651 . 1 1 60 60 VAL HB H 1 2.275 0.030 . 1 . . . . 60 VAL HB . 10025 1 652 . 1 1 60 60 VAL HG11 H 1 1.393 0.030 . 1 . . . . 60 VAL HG1 . 10025 1 653 . 1 1 60 60 VAL HG12 H 1 1.393 0.030 . 1 . . . . 60 VAL HG1 . 10025 1 654 . 1 1 60 60 VAL HG13 H 1 1.393 0.030 . 1 . . . . 60 VAL HG1 . 10025 1 655 . 1 1 60 60 VAL HG21 H 1 1.206 0.030 . 1 . . . . 60 VAL HG2 . 10025 1 656 . 1 1 60 60 VAL HG22 H 1 1.206 0.030 . 1 . . . . 60 VAL HG2 . 10025 1 657 . 1 1 60 60 VAL HG23 H 1 1.206 0.030 . 1 . . . . 60 VAL HG2 . 10025 1 658 . 1 1 60 60 VAL C C 13 173.935 0.300 . 1 . . . . 60 VAL C . 10025 1 659 . 1 1 60 60 VAL CA C 13 60.776 0.300 . 1 . . . . 60 VAL CA . 10025 1 660 . 1 1 60 60 VAL CB C 13 35.685 0.300 . 1 . . . . 60 VAL CB . 10025 1 661 . 1 1 60 60 VAL CG1 C 13 22.462 0.300 . 2 . . . . 60 VAL CG1 . 10025 1 662 . 1 1 60 60 VAL CG2 C 13 22.574 0.300 . 2 . . . . 60 VAL CG2 . 10025 1 663 . 1 1 60 60 VAL N N 15 129.228 0.300 . 1 . . . . 60 VAL N . 10025 1 664 . 1 1 61 61 GLN H H 1 8.511 0.030 . 1 . . . . 61 GLN H . 10025 1 665 . 1 1 61 61 GLN HA H 1 5.832 0.030 . 1 . . . . 61 GLN HA . 10025 1 666 . 1 1 61 61 GLN HB2 H 1 2.135 0.030 . 2 . . . . 61 GLN HB2 . 10025 1 667 . 1 1 61 61 GLN HB3 H 1 1.995 0.030 . 2 . . . . 61 GLN HB3 . 10025 1 668 . 1 1 61 61 GLN HG2 H 1 2.327 0.030 . 1 . . . . 61 GLN HG2 . 10025 1 669 . 1 1 61 61 GLN HG3 H 1 2.327 0.030 . 1 . . . . 61 GLN HG3 . 10025 1 670 . 1 1 61 61 GLN HE21 H 1 7.264 0.030 . 2 . . . . 61 GLN HE21 . 10025 1 671 . 1 1 61 61 GLN HE22 H 1 7.018 0.030 . 2 . . . . 61 GLN HE22 . 10025 1 672 . 1 1 61 61 GLN C C 13 176.374 0.300 . 1 . . . . 61 GLN C . 10025 1 673 . 1 1 61 61 GLN CA C 13 53.709 0.300 . 1 . . . . 61 GLN CA . 10025 1 674 . 1 1 61 61 GLN CB C 13 32.329 0.300 . 1 . . . . 61 GLN CB . 10025 1 675 . 1 1 61 61 GLN CG C 13 34.409 0.300 . 1 . . . . 61 GLN CG . 10025 1 676 . 1 1 61 61 GLN N N 15 122.081 0.300 . 1 . . . . 61 GLN N . 10025 1 677 . 1 1 61 61 GLN NE2 N 15 111.009 0.300 . 1 . . . . 61 GLN NE2 . 10025 1 678 . 1 1 62 62 TRP H H 1 9.372 0.030 . 1 . . . . 62 TRP H . 10025 1 679 . 1 1 62 62 TRP HA H 1 5.365 0.030 . 1 . . . . 62 TRP HA . 10025 1 680 . 1 1 62 62 TRP HB2 H 1 3.566 0.030 . 2 . . . . 62 TRP HB2 . 10025 1 681 . 1 1 62 62 TRP HB3 H 1 3.488 0.030 . 2 . . . . 62 TRP HB3 . 10025 1 682 . 1 1 62 62 TRP HD1 H 1 7.197 0.030 . 1 . . . . 62 TRP HD1 . 10025 1 683 . 1 1 62 62 TRP HE1 H 1 8.792 0.030 . 1 . . . . 62 TRP HE1 . 10025 1 684 . 1 1 62 62 TRP HE3 H 1 7.314 0.030 . 1 . . . . 62 TRP HE3 . 10025 1 685 . 1 1 62 62 TRP HZ2 H 1 7.141 0.030 . 1 . . . . 62 TRP HZ2 . 10025 1 686 . 1 1 62 62 TRP HZ3 H 1 7.098 0.030 . 1 . . . . 62 TRP HZ3 . 10025 1 687 . 1 1 62 62 TRP HH2 H 1 7.264 0.030 . 1 . . . . 62 TRP HH2 . 10025 1 688 . 1 1 62 62 TRP C C 13 171.495 0.300 . 1 . . . . 62 TRP C . 10025 1 689 . 1 1 62 62 TRP CA C 13 57.393 0.300 . 1 . . . . 62 TRP CA . 10025 1 690 . 1 1 62 62 TRP CB C 13 33.604 0.300 . 1 . . . . 62 TRP CB . 10025 1 691 . 1 1 62 62 TRP CD1 C 13 126.998 0.300 . 1 . . . . 62 TRP CD1 . 10025 1 692 . 1 1 62 62 TRP CE3 C 13 123.146 0.300 . 1 . . . . 62 TRP CE3 . 10025 1 693 . 1 1 62 62 TRP CZ2 C 13 113.081 0.300 . 1 . . . . 62 TRP CZ2 . 10025 1 694 . 1 1 62 62 TRP CZ3 C 13 121.996 0.300 . 1 . . . . 62 TRP CZ3 . 10025 1 695 . 1 1 62 62 TRP CH2 C 13 125.158 0.300 . 1 . . . . 62 TRP CH2 . 10025 1 696 . 1 1 62 62 TRP N N 15 124.846 0.300 . 1 . . . . 62 TRP N . 10025 1 697 . 1 1 62 62 TRP NE1 N 15 125.616 0.300 . 1 . . . . 62 TRP NE1 . 10025 1 698 . 1 1 63 63 GLU H H 1 9.324 0.030 . 1 . . . . 63 GLU H . 10025 1 699 . 1 1 63 63 GLU HA H 1 5.501 0.030 . 1 . . . . 63 GLU HA . 10025 1 700 . 1 1 63 63 GLU HB2 H 1 2.062 0.030 . 2 . . . . 63 GLU HB2 . 10025 1 701 . 1 1 63 63 GLU HB3 H 1 2.000 0.030 . 2 . . . . 63 GLU HB3 . 10025 1 702 . 1 1 63 63 GLU HG2 H 1 2.372 0.030 . 2 . . . . 63 GLU HG2 . 10025 1 703 . 1 1 63 63 GLU HG3 H 1 2.339 0.030 . 2 . . . . 63 GLU HG3 . 10025 1 704 . 1 1 63 63 GLU C C 13 177.496 0.300 . 1 . . . . 63 GLU C . 10025 1 705 . 1 1 63 63 GLU CA C 13 53.780 0.300 . 1 . . . . 63 GLU CA . 10025 1 706 . 1 1 63 63 GLU CB C 13 33.750 0.300 . 1 . . . . 63 GLU CB . 10025 1 707 . 1 1 63 63 GLU CG C 13 37.292 0.300 . 1 . . . . 63 GLU CG . 10025 1 708 . 1 1 63 63 GLU N N 15 118.296 0.300 . 1 . . . . 63 GLU N . 10025 1 709 . 1 1 64 64 MET H H 1 9.066 0.030 . 1 . . . . 64 MET H . 10025 1 710 . 1 1 64 64 MET HA H 1 5.583 0.030 . 1 . . . . 64 MET HA . 10025 1 711 . 1 1 64 64 MET HB2 H 1 1.650 0.030 . 2 . . . . 64 MET HB2 . 10025 1 712 . 1 1 64 64 MET HB3 H 1 1.527 0.030 . 2 . . . . 64 MET HB3 . 10025 1 713 . 1 1 64 64 MET HG2 H 1 2.449 0.030 . 2 . . . . 64 MET HG2 . 10025 1 714 . 1 1 64 64 MET HG3 H 1 1.974 0.030 . 2 . . . . 64 MET HG3 . 10025 1 715 . 1 1 64 64 MET HE1 H 1 1.527 0.030 . 1 . . . . 64 MET HE . 10025 1 716 . 1 1 64 64 MET HE2 H 1 1.527 0.030 . 1 . . . . 64 MET HE . 10025 1 717 . 1 1 64 64 MET HE3 H 1 1.527 0.030 . 1 . . . . 64 MET HE . 10025 1 718 . 1 1 64 64 MET C C 13 173.130 0.300 . 1 . . . . 64 MET C . 10025 1 719 . 1 1 64 64 MET CA C 13 54.680 0.300 . 1 . . . . 64 MET CA . 10025 1 720 . 1 1 64 64 MET CB C 13 37.064 0.300 . 1 . . . . 64 MET CB . 10025 1 721 . 1 1 64 64 MET CG C 13 32.267 0.300 . 1 . . . . 64 MET CG . 10025 1 722 . 1 1 64 64 MET CE C 13 17.965 0.300 . 1 . . . . 64 MET CE . 10025 1 723 . 1 1 64 64 MET N N 15 118.531 0.300 . 1 . . . . 64 MET N . 10025 1 724 . 1 1 65 65 GLU H H 1 8.814 0.030 . 1 . . . . 65 GLU H . 10025 1 725 . 1 1 65 65 GLU HA H 1 5.667 0.030 . 1 . . . . 65 GLU HA . 10025 1 726 . 1 1 65 65 GLU HB2 H 1 1.848 0.030 . 2 . . . . 65 GLU HB2 . 10025 1 727 . 1 1 65 65 GLU HB3 H 1 1.766 0.030 . 2 . . . . 65 GLU HB3 . 10025 1 728 . 1 1 65 65 GLU HG2 H 1 2.239 0.030 . 2 . . . . 65 GLU HG2 . 10025 1 729 . 1 1 65 65 GLU HG3 H 1 1.992 0.030 . 2 . . . . 65 GLU HG3 . 10025 1 730 . 1 1 65 65 GLU C C 13 175.520 0.300 . 1 . . . . 65 GLU C . 10025 1 731 . 1 1 65 65 GLU CA C 13 53.498 0.300 . 1 . . . . 65 GLU CA . 10025 1 732 . 1 1 65 65 GLU CB C 13 35.329 0.300 . 1 . . . . 65 GLU CB . 10025 1 733 . 1 1 65 65 GLU CG C 13 35.907 0.300 . 1 . . . . 65 GLU CG . 10025 1 734 . 1 1 65 65 GLU N N 15 123.336 0.300 . 1 . . . . 65 GLU N . 10025 1 735 . 1 1 66 66 VAL H H 1 8.145 0.030 . 1 . . . . 66 VAL H . 10025 1 736 . 1 1 66 66 VAL HA H 1 4.934 0.030 . 1 . . . . 66 VAL HA . 10025 1 737 . 1 1 66 66 VAL HB H 1 1.964 0.030 . 1 . . . . 66 VAL HB . 10025 1 738 . 1 1 66 66 VAL HG11 H 1 0.806 0.030 . 1 . . . . 66 VAL HG1 . 10025 1 739 . 1 1 66 66 VAL HG12 H 1 0.806 0.030 . 1 . . . . 66 VAL HG1 . 10025 1 740 . 1 1 66 66 VAL HG13 H 1 0.806 0.030 . 1 . . . . 66 VAL HG1 . 10025 1 741 . 1 1 66 66 VAL HG21 H 1 0.910 0.030 . 1 . . . . 66 VAL HG2 . 10025 1 742 . 1 1 66 66 VAL HG22 H 1 0.910 0.030 . 1 . . . . 66 VAL HG2 . 10025 1 743 . 1 1 66 66 VAL HG23 H 1 0.910 0.030 . 1 . . . . 66 VAL HG2 . 10025 1 744 . 1 1 66 66 VAL C C 13 175.143 0.300 . 1 . . . . 66 VAL C . 10025 1 745 . 1 1 66 66 VAL CA C 13 61.744 0.300 . 1 . . . . 66 VAL CA . 10025 1 746 . 1 1 66 66 VAL CB C 13 32.621 0.300 . 1 . . . . 66 VAL CB . 10025 1 747 . 1 1 66 66 VAL CG1 C 13 21.802 0.300 . 2 . . . . 66 VAL CG1 . 10025 1 748 . 1 1 66 66 VAL CG2 C 13 23.322 0.300 . 2 . . . . 66 VAL CG2 . 10025 1 749 . 1 1 66 66 VAL N N 15 125.069 0.300 . 1 . . . . 66 VAL N . 10025 1 750 . 1 1 67 67 CYS H H 1 8.858 0.030 . 1 . . . . 67 CYS H . 10025 1 751 . 1 1 67 67 CYS HA H 1 4.833 0.030 . 1 . . . . 67 CYS HA . 10025 1 752 . 1 1 67 67 CYS HB2 H 1 2.770 0.030 . 2 . . . . 67 CYS HB2 . 10025 1 753 . 1 1 67 67 CYS HB3 H 1 2.688 0.030 . 2 . . . . 67 CYS HB3 . 10025 1 754 . 1 1 67 67 CYS C C 13 172.679 0.300 . 1 . . . . 67 CYS C . 10025 1 755 . 1 1 67 67 CYS CA C 13 55.119 0.300 . 1 . . . . 67 CYS CA . 10025 1 756 . 1 1 67 67 CYS CB C 13 31.641 0.300 . 1 . . . . 67 CYS CB . 10025 1 757 . 1 1 67 67 CYS N N 15 124.073 0.300 . 1 . . . . 67 CYS N . 10025 1 758 . 1 1 68 68 LYS H H 1 8.522 0.030 . 1 . . . . 68 LYS H . 10025 1 759 . 1 1 68 68 LYS HA H 1 4.695 0.030 . 1 . . . . 68 LYS HA . 10025 1 760 . 1 1 68 68 LYS HB2 H 1 1.726 0.030 . 1 . . . . 68 LYS HB2 . 10025 1 761 . 1 1 68 68 LYS HB3 H 1 1.726 0.030 . 1 . . . . 68 LYS HB3 . 10025 1 762 . 1 1 68 68 LYS HG2 H 1 1.412 0.030 . 1 . . . . 68 LYS HG2 . 10025 1 763 . 1 1 68 68 LYS HG3 H 1 1.412 0.030 . 1 . . . . 68 LYS HG3 . 10025 1 764 . 1 1 68 68 LYS HD2 H 1 1.674 0.030 . 1 . . . . 68 LYS HD2 . 10025 1 765 . 1 1 68 68 LYS HD3 H 1 1.674 0.030 . 1 . . . . 68 LYS HD3 . 10025 1 766 . 1 1 68 68 LYS HE2 H 1 2.969 0.030 . 1 . . . . 68 LYS HE2 . 10025 1 767 . 1 1 68 68 LYS HE3 H 1 2.969 0.030 . 1 . . . . 68 LYS HE3 . 10025 1 768 . 1 1 68 68 LYS C C 13 176.801 0.300 . 1 . . . . 68 LYS C . 10025 1 769 . 1 1 68 68 LYS CA C 13 56.335 0.300 . 1 . . . . 68 LYS CA . 10025 1 770 . 1 1 68 68 LYS CB C 13 33.067 0.300 . 1 . . . . 68 LYS CB . 10025 1 771 . 1 1 68 68 LYS CG C 13 24.522 0.300 . 1 . . . . 68 LYS CG . 10025 1 772 . 1 1 68 68 LYS CD C 13 28.769 0.300 . 1 . . . . 68 LYS CD . 10025 1 773 . 1 1 68 68 LYS CE C 13 42.421 0.300 . 1 . . . . 68 LYS CE . 10025 1 774 . 1 1 68 68 LYS N N 15 123.340 0.300 . 1 . . . . 68 LYS N . 10025 1 775 . 1 1 69 69 LEU H H 1 8.513 0.030 . 1 . . . . 69 LEU H . 10025 1 776 . 1 1 69 69 LEU HA H 1 4.721 0.030 . 1 . . . . 69 LEU HA . 10025 1 777 . 1 1 69 69 LEU HB2 H 1 1.675 0.030 . 2 . . . . 69 LEU HB2 . 10025 1 778 . 1 1 69 69 LEU HB3 H 1 1.451 0.030 . 2 . . . . 69 LEU HB3 . 10025 1 779 . 1 1 69 69 LEU HG H 1 1.504 0.030 . 1 . . . . 69 LEU HG . 10025 1 780 . 1 1 69 69 LEU HD11 H 1 0.739 0.030 . 1 . . . . 69 LEU HD1 . 10025 1 781 . 1 1 69 69 LEU HD12 H 1 0.739 0.030 . 1 . . . . 69 LEU HD1 . 10025 1 782 . 1 1 69 69 LEU HD13 H 1 0.739 0.030 . 1 . . . . 69 LEU HD1 . 10025 1 783 . 1 1 69 69 LEU HD21 H 1 0.757 0.030 . 1 . . . . 69 LEU HD2 . 10025 1 784 . 1 1 69 69 LEU HD22 H 1 0.757 0.030 . 1 . . . . 69 LEU HD2 . 10025 1 785 . 1 1 69 69 LEU HD23 H 1 0.757 0.030 . 1 . . . . 69 LEU HD2 . 10025 1 786 . 1 1 69 69 LEU C C 13 175.447 0.300 . 1 . . . . 69 LEU C . 10025 1 787 . 1 1 69 69 LEU CA C 13 52.660 0.300 . 1 . . . . 69 LEU CA . 10025 1 788 . 1 1 69 69 LEU CB C 13 40.796 0.300 . 1 . . . . 69 LEU CB . 10025 1 789 . 1 1 69 69 LEU CG C 13 27.750 0.300 . 1 . . . . 69 LEU CG . 10025 1 790 . 1 1 69 69 LEU CD1 C 13 25.914 0.300 . 2 . . . . 69 LEU CD1 . 10025 1 791 . 1 1 69 69 LEU CD2 C 13 23.621 0.300 . 2 . . . . 69 LEU CD2 . 10025 1 792 . 1 1 69 69 LEU N N 15 126.675 0.300 . 1 . . . . 69 LEU N . 10025 1 793 . 1 1 70 70 PRO HA H 1 4.313 0.030 . 1 . . . . 70 PRO HA . 10025 1 794 . 1 1 70 70 PRO HB2 H 1 2.335 0.030 . 2 . . . . 70 PRO HB2 . 10025 1 795 . 1 1 70 70 PRO HB3 H 1 1.959 0.030 . 2 . . . . 70 PRO HB3 . 10025 1 796 . 1 1 70 70 PRO HG2 H 1 2.084 0.030 . 2 . . . . 70 PRO HG2 . 10025 1 797 . 1 1 70 70 PRO HG3 H 1 2.012 0.030 . 2 . . . . 70 PRO HG3 . 10025 1 798 . 1 1 70 70 PRO HD2 H 1 3.742 0.030 . 1 . . . . 70 PRO HD2 . 10025 1 799 . 1 1 70 70 PRO HD3 H 1 3.742 0.030 . 1 . . . . 70 PRO HD3 . 10025 1 800 . 1 1 70 70 PRO C C 13 178.228 0.300 . 1 . . . . 70 PRO C . 10025 1 801 . 1 1 70 70 PRO CA C 13 64.529 0.300 . 1 . . . . 70 PRO CA . 10025 1 802 . 1 1 70 70 PRO CB C 13 31.937 0.300 . 1 . . . . 70 PRO CB . 10025 1 803 . 1 1 70 70 PRO CG C 13 27.616 0.300 . 1 . . . . 70 PRO CG . 10025 1 804 . 1 1 70 70 PRO CD C 13 50.708 0.300 . 1 . . . . 70 PRO CD . 10025 1 805 . 1 1 71 71 ARG H H 1 8.483 0.030 . 1 . . . . 71 ARG H . 10025 1 806 . 1 1 71 71 ARG HA H 1 4.107 0.030 . 1 . . . . 71 ARG HA . 10025 1 807 . 1 1 71 71 ARG HB2 H 1 1.949 0.030 . 1 . . . . 71 ARG HB2 . 10025 1 808 . 1 1 71 71 ARG HB3 H 1 1.949 0.030 . 1 . . . . 71 ARG HB3 . 10025 1 809 . 1 1 71 71 ARG HG2 H 1 1.623 0.030 . 1 . . . . 71 ARG HG2 . 10025 1 810 . 1 1 71 71 ARG HG3 H 1 1.623 0.030 . 1 . . . . 71 ARG HG3 . 10025 1 811 . 1 1 71 71 ARG HD2 H 1 3.230 0.030 . 1 . . . . 71 ARG HD2 . 10025 1 812 . 1 1 71 71 ARG HD3 H 1 3.230 0.030 . 1 . . . . 71 ARG HD3 . 10025 1 813 . 1 1 71 71 ARG C C 13 176.350 0.300 . 1 . . . . 71 ARG C . 10025 1 814 . 1 1 71 71 ARG CA C 13 58.044 0.300 . 1 . . . . 71 ARG CA . 10025 1 815 . 1 1 71 71 ARG CB C 13 29.566 0.300 . 1 . . . . 71 ARG CB . 10025 1 816 . 1 1 71 71 ARG CG C 13 27.772 0.300 . 1 . . . . 71 ARG CG . 10025 1 817 . 1 1 71 71 ARG CD C 13 43.224 0.300 . 1 . . . . 71 ARG CD . 10025 1 818 . 1 1 71 71 ARG N N 15 115.906 0.300 . 1 . . . . 71 ARG N . 10025 1 819 . 1 1 72 72 LEU H H 1 7.612 0.030 . 1 . . . . 72 LEU H . 10025 1 820 . 1 1 72 72 LEU HA H 1 4.512 0.030 . 1 . . . . 72 LEU HA . 10025 1 821 . 1 1 72 72 LEU HB2 H 1 1.567 0.030 . 1 . . . . 72 LEU HB2 . 10025 1 822 . 1 1 72 72 LEU HB3 H 1 1.567 0.030 . 1 . . . . 72 LEU HB3 . 10025 1 823 . 1 1 72 72 LEU HG H 1 1.619 0.030 . 1 . . . . 72 LEU HG . 10025 1 824 . 1 1 72 72 LEU HD11 H 1 0.902 0.030 . 1 . . . . 72 LEU HD1 . 10025 1 825 . 1 1 72 72 LEU HD12 H 1 0.902 0.030 . 1 . . . . 72 LEU HD1 . 10025 1 826 . 1 1 72 72 LEU HD13 H 1 0.902 0.030 . 1 . . . . 72 LEU HD1 . 10025 1 827 . 1 1 72 72 LEU HD21 H 1 0.886 0.030 . 1 . . . . 72 LEU HD2 . 10025 1 828 . 1 1 72 72 LEU HD22 H 1 0.886 0.030 . 1 . . . . 72 LEU HD2 . 10025 1 829 . 1 1 72 72 LEU HD23 H 1 0.886 0.030 . 1 . . . . 72 LEU HD2 . 10025 1 830 . 1 1 72 72 LEU C C 13 176.484 0.300 . 1 . . . . 72 LEU C . 10025 1 831 . 1 1 72 72 LEU CA C 13 54.353 0.300 . 1 . . . . 72 LEU CA . 10025 1 832 . 1 1 72 72 LEU CB C 13 44.435 0.300 . 1 . . . . 72 LEU CB . 10025 1 833 . 1 1 72 72 LEU CG C 13 26.940 0.300 . 1 . . . . 72 LEU CG . 10025 1 834 . 1 1 72 72 LEU CD1 C 13 25.602 0.300 . 2 . . . . 72 LEU CD1 . 10025 1 835 . 1 1 72 72 LEU CD2 C 13 22.818 0.300 . 2 . . . . 72 LEU CD2 . 10025 1 836 . 1 1 72 72 LEU N N 15 118.145 0.300 . 1 . . . . 72 LEU N . 10025 1 837 . 1 1 73 73 SER H H 1 8.229 0.030 . 1 . . . . 73 SER H . 10025 1 838 . 1 1 73 73 SER HA H 1 4.238 0.030 . 1 . . . . 73 SER HA . 10025 1 839 . 1 1 73 73 SER HB2 H 1 4.042 0.030 . 2 . . . . 73 SER HB2 . 10025 1 840 . 1 1 73 73 SER HB3 H 1 3.980 0.030 . 2 . . . . 73 SER HB3 . 10025 1 841 . 1 1 73 73 SER C C 13 173.764 0.300 . 1 . . . . 73 SER C . 10025 1 842 . 1 1 73 73 SER CA C 13 58.414 0.300 . 1 . . . . 73 SER CA . 10025 1 843 . 1 1 73 73 SER CB C 13 62.028 0.300 . 1 . . . . 73 SER CB . 10025 1 844 . 1 1 73 73 SER N N 15 113.563 0.300 . 1 . . . . 73 SER N . 10025 1 845 . 1 1 74 74 LEU H H 1 7.052 0.030 . 1 . . . . 74 LEU H . 10025 1 846 . 1 1 74 74 LEU HA H 1 4.623 0.030 . 1 . . . . 74 LEU HA . 10025 1 847 . 1 1 74 74 LEU HB2 H 1 1.509 0.030 . 2 . . . . 74 LEU HB2 . 10025 1 848 . 1 1 74 74 LEU HB3 H 1 1.394 0.030 . 2 . . . . 74 LEU HB3 . 10025 1 849 . 1 1 74 74 LEU HG H 1 1.618 0.030 . 1 . . . . 74 LEU HG . 10025 1 850 . 1 1 74 74 LEU HD11 H 1 0.858 0.030 . 1 . . . . 74 LEU HD1 . 10025 1 851 . 1 1 74 74 LEU HD12 H 1 0.858 0.030 . 1 . . . . 74 LEU HD1 . 10025 1 852 . 1 1 74 74 LEU HD13 H 1 0.858 0.030 . 1 . . . . 74 LEU HD1 . 10025 1 853 . 1 1 74 74 LEU HD21 H 1 0.836 0.030 . 1 . . . . 74 LEU HD2 . 10025 1 854 . 1 1 74 74 LEU HD22 H 1 0.836 0.030 . 1 . . . . 74 LEU HD2 . 10025 1 855 . 1 1 74 74 LEU HD23 H 1 0.836 0.030 . 1 . . . . 74 LEU HD2 . 10025 1 856 . 1 1 74 74 LEU C C 13 174.739 0.300 . 1 . . . . 74 LEU C . 10025 1 857 . 1 1 74 74 LEU CA C 13 53.427 0.300 . 1 . . . . 74 LEU CA . 10025 1 858 . 1 1 74 74 LEU CB C 13 46.911 0.300 . 1 . . . . 74 LEU CB . 10025 1 859 . 1 1 74 74 LEU CG C 13 26.389 0.300 . 1 . . . . 74 LEU CG . 10025 1 860 . 1 1 74 74 LEU CD1 C 13 25.518 0.300 . 2 . . . . 74 LEU CD1 . 10025 1 861 . 1 1 74 74 LEU CD2 C 13 23.398 0.300 . 2 . . . . 74 LEU CD2 . 10025 1 862 . 1 1 74 74 LEU N N 15 118.201 0.300 . 1 . . . . 74 LEU N . 10025 1 863 . 1 1 75 75 ASN H H 1 8.631 0.030 . 1 . . . . 75 ASN H . 10025 1 864 . 1 1 75 75 ASN HA H 1 5.458 0.030 . 1 . . . . 75 ASN HA . 10025 1 865 . 1 1 75 75 ASN HB2 H 1 2.584 0.030 . 2 . . . . 75 ASN HB2 . 10025 1 866 . 1 1 75 75 ASN HB3 H 1 2.288 0.030 . 2 . . . . 75 ASN HB3 . 10025 1 867 . 1 1 75 75 ASN HD21 H 1 7.323 0.030 . 2 . . . . 75 ASN HD21 . 10025 1 868 . 1 1 75 75 ASN HD22 H 1 6.793 0.030 . 2 . . . . 75 ASN HD22 . 10025 1 869 . 1 1 75 75 ASN C C 13 174.545 0.300 . 1 . . . . 75 ASN C . 10025 1 870 . 1 1 75 75 ASN CA C 13 52.335 0.300 . 1 . . . . 75 ASN CA . 10025 1 871 . 1 1 75 75 ASN CB C 13 42.336 0.300 . 1 . . . . 75 ASN CB . 10025 1 872 . 1 1 75 75 ASN N N 15 117.324 0.300 . 1 . . . . 75 ASN N . 10025 1 873 . 1 1 75 75 ASN ND2 N 15 114.986 0.300 . 1 . . . . 75 ASN ND2 . 10025 1 874 . 1 1 76 76 GLY H H 1 9.233 0.030 . 1 . . . . 76 GLY H . 10025 1 875 . 1 1 76 76 GLY HA2 H 1 4.946 0.030 . 2 . . . . 76 GLY HA2 . 10025 1 876 . 1 1 76 76 GLY HA3 H 1 3.735 0.030 . 2 . . . . 76 GLY HA3 . 10025 1 877 . 1 1 76 76 GLY C C 13 171.751 0.300 . 1 . . . . 76 GLY C . 10025 1 878 . 1 1 76 76 GLY CA C 13 44.634 0.300 . 1 . . . . 76 GLY CA . 10025 1 879 . 1 1 76 76 GLY N N 15 107.518 0.300 . 1 . . . . 76 GLY N . 10025 1 880 . 1 1 77 77 VAL H H 1 8.278 0.030 . 1 . . . . 77 VAL H . 10025 1 881 . 1 1 77 77 VAL HA H 1 4.895 0.030 . 1 . . . . 77 VAL HA . 10025 1 882 . 1 1 77 77 VAL HB H 1 1.993 0.030 . 1 . . . . 77 VAL HB . 10025 1 883 . 1 1 77 77 VAL HG11 H 1 0.545 0.030 . 1 . . . . 77 VAL HG1 . 10025 1 884 . 1 1 77 77 VAL HG12 H 1 0.545 0.030 . 1 . . . . 77 VAL HG1 . 10025 1 885 . 1 1 77 77 VAL HG13 H 1 0.545 0.030 . 1 . . . . 77 VAL HG1 . 10025 1 886 . 1 1 77 77 VAL HG21 H 1 0.757 0.030 . 1 . . . . 77 VAL HG2 . 10025 1 887 . 1 1 77 77 VAL HG22 H 1 0.757 0.030 . 1 . . . . 77 VAL HG2 . 10025 1 888 . 1 1 77 77 VAL HG23 H 1 0.757 0.030 . 1 . . . . 77 VAL HG2 . 10025 1 889 . 1 1 77 77 VAL C C 13 174.630 0.300 . 1 . . . . 77 VAL C . 10025 1 890 . 1 1 77 77 VAL CA C 13 60.987 0.300 . 1 . . . . 77 VAL CA . 10025 1 891 . 1 1 77 77 VAL CB C 13 33.627 0.300 . 1 . . . . 77 VAL CB . 10025 1 892 . 1 1 77 77 VAL CG1 C 13 21.853 0.300 . 2 . . . . 77 VAL CG1 . 10025 1 893 . 1 1 77 77 VAL CG2 C 13 22.156 0.300 . 2 . . . . 77 VAL CG2 . 10025 1 894 . 1 1 77 77 VAL N N 15 118.261 0.300 . 1 . . . . 77 VAL N . 10025 1 895 . 1 1 78 78 ARG H H 1 9.191 0.030 . 1 . . . . 78 ARG H . 10025 1 896 . 1 1 78 78 ARG HA H 1 5.417 0.030 . 1 . . . . 78 ARG HA . 10025 1 897 . 1 1 78 78 ARG HB2 H 1 1.854 0.030 . 2 . . . . 78 ARG HB2 . 10025 1 898 . 1 1 78 78 ARG HB3 H 1 1.763 0.030 . 2 . . . . 78 ARG HB3 . 10025 1 899 . 1 1 78 78 ARG HG2 H 1 1.489 0.030 . 1 . . . . 78 ARG HG2 . 10025 1 900 . 1 1 78 78 ARG HG3 H 1 1.489 0.030 . 1 . . . . 78 ARG HG3 . 10025 1 901 . 1 1 78 78 ARG HD2 H 1 2.889 0.030 . 2 . . . . 78 ARG HD2 . 10025 1 902 . 1 1 78 78 ARG HD3 H 1 2.810 0.030 . 2 . . . . 78 ARG HD3 . 10025 1 903 . 1 1 78 78 ARG C C 13 175.143 0.300 . 1 . . . . 78 ARG C . 10025 1 904 . 1 1 78 78 ARG CA C 13 54.344 0.300 . 1 . . . . 78 ARG CA . 10025 1 905 . 1 1 78 78 ARG CB C 13 34.097 0.300 . 1 . . . . 78 ARG CB . 10025 1 906 . 1 1 78 78 ARG CG C 13 26.478 0.300 . 1 . . . . 78 ARG CG . 10025 1 907 . 1 1 78 78 ARG CD C 13 44.048 0.300 . 1 . . . . 78 ARG CD . 10025 1 908 . 1 1 78 78 ARG N N 15 125.818 0.300 . 1 . . . . 78 ARG N . 10025 1 909 . 1 1 79 79 PHE H H 1 9.334 0.030 . 1 . . . . 79 PHE H . 10025 1 910 . 1 1 79 79 PHE HA H 1 5.862 0.030 . 1 . . . . 79 PHE HA . 10025 1 911 . 1 1 79 79 PHE HB2 H 1 3.454 0.030 . 2 . . . . 79 PHE HB2 . 10025 1 912 . 1 1 79 79 PHE HB3 H 1 2.988 0.030 . 2 . . . . 79 PHE HB3 . 10025 1 913 . 1 1 79 79 PHE HD1 H 1 7.289 0.030 . 1 . . . . 79 PHE HD1 . 10025 1 914 . 1 1 79 79 PHE HD2 H 1 7.289 0.030 . 1 . . . . 79 PHE HD2 . 10025 1 915 . 1 1 79 79 PHE HE1 H 1 7.145 0.030 . 1 . . . . 79 PHE HE1 . 10025 1 916 . 1 1 79 79 PHE HE2 H 1 7.145 0.030 . 1 . . . . 79 PHE HE2 . 10025 1 917 . 1 1 79 79 PHE HZ H 1 6.959 0.030 . 1 . . . . 79 PHE HZ . 10025 1 918 . 1 1 79 79 PHE C C 13 176.045 0.300 . 1 . . . . 79 PHE C . 10025 1 919 . 1 1 79 79 PHE CA C 13 56.634 0.300 . 1 . . . . 79 PHE CA . 10025 1 920 . 1 1 79 79 PHE CB C 13 43.407 0.300 . 1 . . . . 79 PHE CB . 10025 1 921 . 1 1 79 79 PHE CD1 C 13 132.271 0.300 . 1 . . . . 79 PHE CD1 . 10025 1 922 . 1 1 79 79 PHE CD2 C 13 132.271 0.300 . 1 . . . . 79 PHE CD2 . 10025 1 923 . 1 1 79 79 PHE CE1 C 13 130.772 0.300 . 1 . . . . 79 PHE CE1 . 10025 1 924 . 1 1 79 79 PHE CE2 C 13 130.772 0.300 . 1 . . . . 79 PHE CE2 . 10025 1 925 . 1 1 79 79 PHE CZ C 13 129.305 0.300 . 1 . . . . 79 PHE CZ . 10025 1 926 . 1 1 79 79 PHE N N 15 121.822 0.300 . 1 . . . . 79 PHE N . 10025 1 927 . 1 1 80 80 LYS H H 1 9.365 0.030 . 1 . . . . 80 LYS H . 10025 1 928 . 1 1 80 80 LYS HA H 1 4.783 0.030 . 1 . . . . 80 LYS HA . 10025 1 929 . 1 1 80 80 LYS HB2 H 1 1.388 0.030 . 1 . . . . 80 LYS HB2 . 10025 1 930 . 1 1 80 80 LYS HB3 H 1 1.388 0.030 . 1 . . . . 80 LYS HB3 . 10025 1 931 . 1 1 80 80 LYS HG2 H 1 1.089 0.030 . 2 . . . . 80 LYS HG2 . 10025 1 932 . 1 1 80 80 LYS HG3 H 1 1.004 0.030 . 2 . . . . 80 LYS HG3 . 10025 1 933 . 1 1 80 80 LYS HD2 H 1 1.355 0.030 . 2 . . . . 80 LYS HD2 . 10025 1 934 . 1 1 80 80 LYS HD3 H 1 1.247 0.030 . 2 . . . . 80 LYS HD3 . 10025 1 935 . 1 1 80 80 LYS HE2 H 1 2.573 0.030 . 2 . . . . 80 LYS HE2 . 10025 1 936 . 1 1 80 80 LYS HE3 H 1 2.449 0.030 . 2 . . . . 80 LYS HE3 . 10025 1 937 . 1 1 80 80 LYS C C 13 174.801 0.300 . 1 . . . . 80 LYS C . 10025 1 938 . 1 1 80 80 LYS CA C 13 55.401 0.300 . 1 . . . . 80 LYS CA . 10025 1 939 . 1 1 80 80 LYS CB C 13 35.869 0.300 . 1 . . . . 80 LYS CB . 10025 1 940 . 1 1 80 80 LYS CG C 13 24.218 0.300 . 1 . . . . 80 LYS CG . 10025 1 941 . 1 1 80 80 LYS CD C 13 29.383 0.300 . 1 . . . . 80 LYS CD . 10025 1 942 . 1 1 80 80 LYS CE C 13 41.741 0.300 . 1 . . . . 80 LYS CE . 10025 1 943 . 1 1 80 80 LYS N N 15 123.077 0.300 . 1 . . . . 80 LYS N . 10025 1 944 . 1 1 81 81 ARG H H 1 8.722 0.030 . 1 . . . . 81 ARG H . 10025 1 945 . 1 1 81 81 ARG HA H 1 3.535 0.030 . 1 . . . . 81 ARG HA . 10025 1 946 . 1 1 81 81 ARG HB2 H 1 1.240 0.030 . 2 . . . . 81 ARG HB2 . 10025 1 947 . 1 1 81 81 ARG HB3 H 1 -0.221 0.030 . 2 . . . . 81 ARG HB3 . 10025 1 948 . 1 1 81 81 ARG HG2 H 1 1.068 0.030 . 2 . . . . 81 ARG HG2 . 10025 1 949 . 1 1 81 81 ARG HG3 H 1 0.929 0.030 . 2 . . . . 81 ARG HG3 . 10025 1 950 . 1 1 81 81 ARG HD2 H 1 2.920 0.030 . 2 . . . . 81 ARG HD2 . 10025 1 951 . 1 1 81 81 ARG HD3 H 1 2.416 0.030 . 2 . . . . 81 ARG HD3 . 10025 1 952 . 1 1 81 81 ARG C C 13 174.557 0.300 . 1 . . . . 81 ARG C . 10025 1 953 . 1 1 81 81 ARG CA C 13 58.587 0.300 . 1 . . . . 81 ARG CA . 10025 1 954 . 1 1 81 81 ARG CB C 13 29.919 0.300 . 1 . . . . 81 ARG CB . 10025 1 955 . 1 1 81 81 ARG CG C 13 26.839 0.300 . 1 . . . . 81 ARG CG . 10025 1 956 . 1 1 81 81 ARG CD C 13 42.717 0.300 . 1 . . . . 81 ARG CD . 10025 1 957 . 1 1 81 81 ARG N N 15 130.249 0.300 . 1 . . . . 81 ARG N . 10025 1 958 . 1 1 82 82 ILE H H 1 8.984 0.030 . 1 . . . . 82 ILE H . 10025 1 959 . 1 1 82 82 ILE HA H 1 4.340 0.030 . 1 . . . . 82 ILE HA . 10025 1 960 . 1 1 82 82 ILE HB H 1 1.698 0.030 . 1 . . . . 82 ILE HB . 10025 1 961 . 1 1 82 82 ILE HG12 H 1 1.541 0.030 . 1 . . . . 82 ILE HG12 . 10025 1 962 . 1 1 82 82 ILE HG13 H 1 1.541 0.030 . 1 . . . . 82 ILE HG13 . 10025 1 963 . 1 1 82 82 ILE HG21 H 1 1.054 0.030 . 1 . . . . 82 ILE HG2 . 10025 1 964 . 1 1 82 82 ILE HG22 H 1 1.054 0.030 . 1 . . . . 82 ILE HG2 . 10025 1 965 . 1 1 82 82 ILE HG23 H 1 1.054 0.030 . 1 . . . . 82 ILE HG2 . 10025 1 966 . 1 1 82 82 ILE HD11 H 1 0.799 0.030 . 1 . . . . 82 ILE HD1 . 10025 1 967 . 1 1 82 82 ILE HD12 H 1 0.799 0.030 . 1 . . . . 82 ILE HD1 . 10025 1 968 . 1 1 82 82 ILE HD13 H 1 0.799 0.030 . 1 . . . . 82 ILE HD1 . 10025 1 969 . 1 1 82 82 ILE C C 13 175.935 0.300 . 1 . . . . 82 ILE C . 10025 1 970 . 1 1 82 82 ILE CA C 13 60.811 0.300 . 1 . . . . 82 ILE CA . 10025 1 971 . 1 1 82 82 ILE CB C 13 38.176 0.300 . 1 . . . . 82 ILE CB . 10025 1 972 . 1 1 82 82 ILE CG1 C 13 27.241 0.300 . 1 . . . . 82 ILE CG1 . 10025 1 973 . 1 1 82 82 ILE CG2 C 13 16.777 0.300 . 1 . . . . 82 ILE CG2 . 10025 1 974 . 1 1 82 82 ILE CD1 C 13 10.681 0.300 . 1 . . . . 82 ILE CD1 . 10025 1 975 . 1 1 82 82 ILE N N 15 127.165 0.300 . 1 . . . . 82 ILE N . 10025 1 976 . 1 1 83 83 SER H H 1 8.620 0.030 . 1 . . . . 83 SER H . 10025 1 977 . 1 1 83 83 SER HA H 1 4.758 0.030 . 1 . . . . 83 SER HA . 10025 1 978 . 1 1 83 83 SER HB2 H 1 3.988 0.030 . 2 . . . . 83 SER HB2 . 10025 1 979 . 1 1 83 83 SER HB3 H 1 3.871 0.030 . 2 . . . . 83 SER HB3 . 10025 1 980 . 1 1 83 83 SER C C 13 172.801 0.300 . 1 . . . . 83 SER C . 10025 1 981 . 1 1 83 83 SER CA C 13 58.168 0.300 . 1 . . . . 83 SER CA . 10025 1 982 . 1 1 83 83 SER CB C 13 65.488 0.300 . 1 . . . . 83 SER CB . 10025 1 983 . 1 1 83 83 SER N N 15 113.643 0.300 . 1 . . . . 83 SER N . 10025 1 984 . 1 1 84 84 GLY H H 1 8.553 0.030 . 1 . . . . 84 GLY H . 10025 1 985 . 1 1 84 84 GLY HA2 H 1 5.017 0.030 . 2 . . . . 84 GLY HA2 . 10025 1 986 . 1 1 84 84 GLY HA3 H 1 4.110 0.030 . 2 . . . . 84 GLY HA3 . 10025 1 987 . 1 1 84 84 GLY C C 13 174.813 0.300 . 1 . . . . 84 GLY C . 10025 1 988 . 1 1 84 84 GLY CA C 13 43.559 0.300 . 1 . . . . 84 GLY CA . 10025 1 989 . 1 1 84 84 GLY N N 15 110.129 0.300 . 1 . . . . 84 GLY N . 10025 1 990 . 1 1 85 85 THR H H 1 9.042 0.030 . 1 . . . . 85 THR H . 10025 1 991 . 1 1 85 85 THR HA H 1 4.397 0.030 . 1 . . . . 85 THR HA . 10025 1 992 . 1 1 85 85 THR HB H 1 4.771 0.030 . 1 . . . . 85 THR HB . 10025 1 993 . 1 1 85 85 THR HG21 H 1 1.497 0.030 . 1 . . . . 85 THR HG2 . 10025 1 994 . 1 1 85 85 THR HG22 H 1 1.497 0.030 . 1 . . . . 85 THR HG2 . 10025 1 995 . 1 1 85 85 THR HG23 H 1 1.497 0.030 . 1 . . . . 85 THR HG2 . 10025 1 996 . 1 1 85 85 THR C C 13 175.569 0.300 . 1 . . . . 85 THR C . 10025 1 997 . 1 1 85 85 THR CA C 13 61.797 0.300 . 1 . . . . 85 THR CA . 10025 1 998 . 1 1 85 85 THR CB C 13 70.390 0.300 . 1 . . . . 85 THR CB . 10025 1 999 . 1 1 85 85 THR CG2 C 13 22.149 0.300 . 1 . . . . 85 THR CG2 . 10025 1 1000 . 1 1 85 85 THR N N 15 111.922 0.300 . 1 . . . . 85 THR N . 10025 1 1001 . 1 1 86 86 SER H H 1 8.969 0.030 . 1 . . . . 86 SER H . 10025 1 1002 . 1 1 86 86 SER HA H 1 3.980 0.030 . 1 . . . . 86 SER HA . 10025 1 1003 . 1 1 86 86 SER HB2 H 1 4.111 0.030 . 2 . . . . 86 SER HB2 . 10025 1 1004 . 1 1 86 86 SER HB3 H 1 4.001 0.030 . 2 . . . . 86 SER HB3 . 10025 1 1005 . 1 1 86 86 SER C C 13 177.326 0.300 . 1 . . . . 86 SER C . 10025 1 1006 . 1 1 86 86 SER CB C 13 62.435 0.300 . 1 . . . . 86 SER CB . 10025 1 1007 . 1 1 86 86 SER N N 15 117.137 0.300 . 1 . . . . 86 SER N . 10025 1 1008 . 1 1 87 87 ILE H H 1 7.967 0.030 . 1 . . . . 87 ILE H . 10025 1 1009 . 1 1 87 87 ILE HA H 1 3.934 0.030 . 1 . . . . 87 ILE HA . 10025 1 1010 . 1 1 87 87 ILE HB H 1 1.786 0.030 . 1 . . . . 87 ILE HB . 10025 1 1011 . 1 1 87 87 ILE HG12 H 1 1.537 0.030 . 2 . . . . 87 ILE HG12 . 10025 1 1012 . 1 1 87 87 ILE HG13 H 1 1.271 0.030 . 2 . . . . 87 ILE HG13 . 10025 1 1013 . 1 1 87 87 ILE HG21 H 1 0.945 0.030 . 1 . . . . 87 ILE HG2 . 10025 1 1014 . 1 1 87 87 ILE HG22 H 1 0.945 0.030 . 1 . . . . 87 ILE HG2 . 10025 1 1015 . 1 1 87 87 ILE HG23 H 1 0.945 0.030 . 1 . . . . 87 ILE HG2 . 10025 1 1016 . 1 1 87 87 ILE HD11 H 1 0.920 0.030 . 1 . . . . 87 ILE HD1 . 10025 1 1017 . 1 1 87 87 ILE HD12 H 1 0.920 0.030 . 1 . . . . 87 ILE HD1 . 10025 1 1018 . 1 1 87 87 ILE HD13 H 1 0.920 0.030 . 1 . . . . 87 ILE HD1 . 10025 1 1019 . 1 1 87 87 ILE C C 13 176.716 0.300 . 1 . . . . 87 ILE C . 10025 1 1020 . 1 1 87 87 ILE CA C 13 63.542 0.300 . 1 . . . . 87 ILE CA . 10025 1 1021 . 1 1 87 87 ILE CB C 13 38.227 0.300 . 1 . . . . 87 ILE CB . 10025 1 1022 . 1 1 87 87 ILE CG1 C 13 28.971 0.300 . 1 . . . . 87 ILE CG1 . 10025 1 1023 . 1 1 87 87 ILE CG2 C 13 17.423 0.300 . 1 . . . . 87 ILE CG2 . 10025 1 1024 . 1 1 87 87 ILE CD1 C 13 13.317 0.300 . 1 . . . . 87 ILE CD1 . 10025 1 1025 . 1 1 87 87 ILE N N 15 120.029 0.300 . 1 . . . . 87 ILE N . 10025 1 1026 . 1 1 88 88 ALA H H 1 7.928 0.030 . 1 . . . . 88 ALA H . 10025 1 1027 . 1 1 88 88 ALA HA H 1 4.126 0.030 . 1 . . . . 88 ALA HA . 10025 1 1028 . 1 1 88 88 ALA HB1 H 1 1.478 0.030 . 1 . . . . 88 ALA HB . 10025 1 1029 . 1 1 88 88 ALA HB2 H 1 1.478 0.030 . 1 . . . . 88 ALA HB . 10025 1 1030 . 1 1 88 88 ALA HB3 H 1 1.478 0.030 . 1 . . . . 88 ALA HB . 10025 1 1031 . 1 1 88 88 ALA C C 13 181.863 0.300 . 1 . . . . 88 ALA C . 10025 1 1032 . 1 1 88 88 ALA CA C 13 55.312 0.300 . 1 . . . . 88 ALA CA . 10025 1 1033 . 1 1 88 88 ALA CB C 13 18.488 0.300 . 1 . . . . 88 ALA CB . 10025 1 1034 . 1 1 88 88 ALA N N 15 124.551 0.300 . 1 . . . . 88 ALA N . 10025 1 1035 . 1 1 89 89 PHE H H 1 8.424 0.030 . 1 . . . . 89 PHE H . 10025 1 1036 . 1 1 89 89 PHE HA H 1 4.101 0.030 . 1 . . . . 89 PHE HA . 10025 1 1037 . 1 1 89 89 PHE HB2 H 1 3.038 0.030 . 1 . . . . 89 PHE HB2 . 10025 1 1038 . 1 1 89 89 PHE HB3 H 1 3.038 0.030 . 1 . . . . 89 PHE HB3 . 10025 1 1039 . 1 1 89 89 PHE HD1 H 1 7.010 0.030 . 1 . . . . 89 PHE HD1 . 10025 1 1040 . 1 1 89 89 PHE HD2 H 1 7.010 0.030 . 1 . . . . 89 PHE HD2 . 10025 1 1041 . 1 1 89 89 PHE HE1 H 1 7.017 0.030 . 1 . . . . 89 PHE HE1 . 10025 1 1042 . 1 1 89 89 PHE HE2 H 1 7.017 0.030 . 1 . . . . 89 PHE HE2 . 10025 1 1043 . 1 1 89 89 PHE HZ H 1 6.983 0.030 . 1 . . . . 89 PHE HZ . 10025 1 1044 . 1 1 89 89 PHE C C 13 174.618 0.300 . 1 . . . . 89 PHE C . 10025 1 1045 . 1 1 89 89 PHE CA C 13 60.317 0.300 . 1 . . . . 89 PHE CA . 10025 1 1046 . 1 1 89 89 PHE CB C 13 38.928 0.300 . 1 . . . . 89 PHE CB . 10025 1 1047 . 1 1 89 89 PHE CD1 C 13 131.672 0.300 . 1 . . . . 89 PHE CD1 . 10025 1 1048 . 1 1 89 89 PHE CD2 C 13 131.672 0.300 . 1 . . . . 89 PHE CD2 . 10025 1 1049 . 1 1 89 89 PHE CE1 C 13 131.301 0.300 . 1 . . . . 89 PHE CE1 . 10025 1 1050 . 1 1 89 89 PHE CE2 C 13 131.301 0.300 . 1 . . . . 89 PHE CE2 . 10025 1 1051 . 1 1 89 89 PHE CZ C 13 129.504 0.300 . 1 . . . . 89 PHE CZ . 10025 1 1052 . 1 1 89 89 PHE N N 15 118.420 0.300 . 1 . . . . 89 PHE N . 10025 1 1053 . 1 1 90 90 LYS H H 1 8.498 0.030 . 1 . . . . 90 LYS H . 10025 1 1054 . 1 1 90 90 LYS HA H 1 3.240 0.030 . 1 . . . . 90 LYS HA . 10025 1 1055 . 1 1 90 90 LYS HB2 H 1 1.837 0.030 . 2 . . . . 90 LYS HB2 . 10025 1 1056 . 1 1 90 90 LYS HB3 H 1 1.758 0.030 . 2 . . . . 90 LYS HB3 . 10025 1 1057 . 1 1 90 90 LYS HG2 H 1 1.457 0.030 . 2 . . . . 90 LYS HG2 . 10025 1 1058 . 1 1 90 90 LYS HG3 H 1 1.243 0.030 . 2 . . . . 90 LYS HG3 . 10025 1 1059 . 1 1 90 90 LYS HD2 H 1 1.556 0.030 . 1 . . . . 90 LYS HD2 . 10025 1 1060 . 1 1 90 90 LYS HD3 H 1 1.556 0.030 . 1 . . . . 90 LYS HD3 . 10025 1 1061 . 1 1 90 90 LYS HE2 H 1 2.859 0.030 . 1 . . . . 90 LYS HE2 . 10025 1 1062 . 1 1 90 90 LYS HE3 H 1 2.859 0.030 . 1 . . . . 90 LYS HE3 . 10025 1 1063 . 1 1 90 90 LYS C C 13 179.460 0.300 . 1 . . . . 90 LYS C . 10025 1 1064 . 1 1 90 90 LYS CA C 13 59.648 0.300 . 1 . . . . 90 LYS CA . 10025 1 1065 . 1 1 90 90 LYS CB C 13 31.832 0.300 . 1 . . . . 90 LYS CB . 10025 1 1066 . 1 1 90 90 LYS CG C 13 25.181 0.300 . 1 . . . . 90 LYS CG . 10025 1 1067 . 1 1 90 90 LYS CD C 13 29.301 0.300 . 1 . . . . 90 LYS CD . 10025 1 1068 . 1 1 90 90 LYS CE C 13 42.071 0.300 . 1 . . . . 90 LYS CE . 10025 1 1069 . 1 1 90 90 LYS N N 15 119.655 0.300 . 1 . . . . 90 LYS N . 10025 1 1070 . 1 1 91 91 ASN H H 1 8.075 0.030 . 1 . . . . 91 ASN H . 10025 1 1071 . 1 1 91 91 ASN HA H 1 4.259 0.030 . 1 . . . . 91 ASN HA . 10025 1 1072 . 1 1 91 91 ASN HB2 H 1 2.772 0.030 . 2 . . . . 91 ASN HB2 . 10025 1 1073 . 1 1 91 91 ASN HB3 H 1 2.673 0.030 . 2 . . . . 91 ASN HB3 . 10025 1 1074 . 1 1 91 91 ASN HD21 H 1 7.553 0.030 . 2 . . . . 91 ASN HD21 . 10025 1 1075 . 1 1 91 91 ASN HD22 H 1 6.781 0.030 . 2 . . . . 91 ASN HD22 . 10025 1 1076 . 1 1 91 91 ASN C C 13 177.496 0.300 . 1 . . . . 91 ASN C . 10025 1 1077 . 1 1 91 91 ASN CA C 13 56.095 0.300 . 1 . . . . 91 ASN CA . 10025 1 1078 . 1 1 91 91 ASN CB C 13 37.858 0.300 . 1 . . . . 91 ASN CB . 10025 1 1079 . 1 1 91 91 ASN N N 15 116.902 0.300 . 1 . . . . 91 ASN N . 10025 1 1080 . 1 1 91 91 ASN ND2 N 15 111.396 0.300 . 1 . . . . 91 ASN ND2 . 10025 1 1081 . 1 1 92 92 ILE H H 1 7.368 0.030 . 1 . . . . 92 ILE H . 10025 1 1082 . 1 1 92 92 ILE HA H 1 4.161 0.030 . 1 . . . . 92 ILE HA . 10025 1 1083 . 1 1 92 92 ILE HB H 1 1.499 0.030 . 1 . . . . 92 ILE HB . 10025 1 1084 . 1 1 92 92 ILE HG12 H 1 0.802 0.030 . 1 . . . . 92 ILE HG12 . 10025 1 1085 . 1 1 92 92 ILE HG13 H 1 0.802 0.030 . 1 . . . . 92 ILE HG13 . 10025 1 1086 . 1 1 92 92 ILE HG21 H 1 0.298 0.030 . 1 . . . . 92 ILE HG2 . 10025 1 1087 . 1 1 92 92 ILE HG22 H 1 0.298 0.030 . 1 . . . . 92 ILE HG2 . 10025 1 1088 . 1 1 92 92 ILE HG23 H 1 0.298 0.030 . 1 . . . . 92 ILE HG2 . 10025 1 1089 . 1 1 92 92 ILE HD11 H 1 0.347 0.030 . 1 . . . . 92 ILE HD1 . 10025 1 1090 . 1 1 92 92 ILE HD12 H 1 0.347 0.030 . 1 . . . . 92 ILE HD1 . 10025 1 1091 . 1 1 92 92 ILE HD13 H 1 0.347 0.030 . 1 . . . . 92 ILE HD1 . 10025 1 1092 . 1 1 92 92 ILE C C 13 175.179 0.300 . 1 . . . . 92 ILE C . 10025 1 1093 . 1 1 92 92 ILE CA C 13 59.788 0.300 . 1 . . . . 92 ILE CA . 10025 1 1094 . 1 1 92 92 ILE CB C 13 37.869 0.300 . 1 . . . . 92 ILE CB . 10025 1 1095 . 1 1 92 92 ILE CG1 C 13 30.396 0.300 . 1 . . . . 92 ILE CG1 . 10025 1 1096 . 1 1 92 92 ILE CG2 C 13 18.222 0.300 . 1 . . . . 92 ILE CG2 . 10025 1 1097 . 1 1 92 92 ILE CD1 C 13 12.658 0.300 . 1 . . . . 92 ILE CD1 . 10025 1 1098 . 1 1 92 92 ILE N N 15 119.257 0.300 . 1 . . . . 92 ILE N . 10025 1 1099 . 1 1 93 93 ALA H H 1 8.054 0.030 . 1 . . . . 93 ALA H . 10025 1 1100 . 1 1 93 93 ALA HA H 1 3.141 0.030 . 1 . . . . 93 ALA HA . 10025 1 1101 . 1 1 93 93 ALA HB1 H 1 -0.208 0.030 . 1 . . . . 93 ALA HB . 10025 1 1102 . 1 1 93 93 ALA HB2 H 1 -0.208 0.030 . 1 . . . . 93 ALA HB . 10025 1 1103 . 1 1 93 93 ALA HB3 H 1 -0.208 0.030 . 1 . . . . 93 ALA HB . 10025 1 1104 . 1 1 93 93 ALA C C 13 178.972 0.300 . 1 . . . . 93 ALA C . 10025 1 1105 . 1 1 93 93 ALA CA C 13 54.802 0.300 . 1 . . . . 93 ALA CA . 10025 1 1106 . 1 1 93 93 ALA CB C 13 16.796 0.300 . 1 . . . . 93 ALA CB . 10025 1 1107 . 1 1 93 93 ALA N N 15 125.627 0.300 . 1 . . . . 93 ALA N . 10025 1 1108 . 1 1 94 94 SER H H 1 7.447 0.030 . 1 . . . . 94 SER H . 10025 1 1109 . 1 1 94 94 SER HA H 1 3.748 0.030 . 1 . . . . 94 SER HA . 10025 1 1110 . 1 1 94 94 SER HB2 H 1 3.740 0.030 . 2 . . . . 94 SER HB2 . 10025 1 1111 . 1 1 94 94 SER HB3 H 1 3.664 0.030 . 2 . . . . 94 SER HB3 . 10025 1 1112 . 1 1 94 94 SER C C 13 175.618 0.300 . 1 . . . . 94 SER C . 10025 1 1113 . 1 1 94 94 SER CA C 13 61.428 0.300 . 1 . . . . 94 SER CA . 10025 1 1114 . 1 1 94 94 SER CB C 13 62.651 0.300 . 1 . . . . 94 SER CB . 10025 1 1115 . 1 1 94 94 SER N N 15 109.870 0.300 . 1 . . . . 94 SER N . 10025 1 1116 . 1 1 95 95 LYS H H 1 7.013 0.030 . 1 . . . . 95 LYS H . 10025 1 1117 . 1 1 95 95 LYS HA H 1 3.941 0.030 . 1 . . . . 95 LYS HA . 10025 1 1118 . 1 1 95 95 LYS HB2 H 1 1.792 0.030 . 1 . . . . 95 LYS HB2 . 10025 1 1119 . 1 1 95 95 LYS HB3 H 1 1.792 0.030 . 1 . . . . 95 LYS HB3 . 10025 1 1120 . 1 1 95 95 LYS HG2 H 1 1.288 0.030 . 1 . . . . 95 LYS HG2 . 10025 1 1121 . 1 1 95 95 LYS HG3 H 1 1.288 0.030 . 1 . . . . 95 LYS HG3 . 10025 1 1122 . 1 1 95 95 LYS HD2 H 1 1.548 0.030 . 1 . . . . 95 LYS HD2 . 10025 1 1123 . 1 1 95 95 LYS HD3 H 1 1.548 0.030 . 1 . . . . 95 LYS HD3 . 10025 1 1124 . 1 1 95 95 LYS HE2 H 1 3.021 0.030 . 2 . . . . 95 LYS HE2 . 10025 1 1125 . 1 1 95 95 LYS HE3 H 1 2.910 0.030 . 2 . . . . 95 LYS HE3 . 10025 1 1126 . 1 1 95 95 LYS C C 13 177.936 0.300 . 1 . . . . 95 LYS C . 10025 1 1127 . 1 1 95 95 LYS CA C 13 59.701 0.300 . 1 . . . . 95 LYS CA . 10025 1 1128 . 1 1 95 95 LYS CB C 13 33.369 0.300 . 1 . . . . 95 LYS CB . 10025 1 1129 . 1 1 95 95 LYS CG C 13 25.181 0.300 . 1 . . . . 95 LYS CG . 10025 1 1130 . 1 1 95 95 LYS CD C 13 29.301 0.300 . 1 . . . . 95 LYS CD . 10025 1 1131 . 1 1 95 95 LYS CE C 13 42.331 0.300 . 1 . . . . 95 LYS CE . 10025 1 1132 . 1 1 95 95 LYS N N 15 123.559 0.300 . 1 . . . . 95 LYS N . 10025 1 1133 . 1 1 96 96 ILE H H 1 7.844 0.030 . 1 . . . . 96 ILE H . 10025 1 1134 . 1 1 96 96 ILE HA H 1 3.474 0.030 . 1 . . . . 96 ILE HA . 10025 1 1135 . 1 1 96 96 ILE HB H 1 2.059 0.030 . 1 . . . . 96 ILE HB . 10025 1 1136 . 1 1 96 96 ILE HG12 H 1 1.533 0.030 . 1 . . . . 96 ILE HG12 . 10025 1 1137 . 1 1 96 96 ILE HG13 H 1 1.533 0.030 . 1 . . . . 96 ILE HG13 . 10025 1 1138 . 1 1 96 96 ILE HG21 H 1 0.993 0.030 . 1 . . . . 96 ILE HG2 . 10025 1 1139 . 1 1 96 96 ILE HG22 H 1 0.993 0.030 . 1 . . . . 96 ILE HG2 . 10025 1 1140 . 1 1 96 96 ILE HG23 H 1 0.993 0.030 . 1 . . . . 96 ILE HG2 . 10025 1 1141 . 1 1 96 96 ILE HD11 H 1 0.916 0.030 . 1 . . . . 96 ILE HD1 . 10025 1 1142 . 1 1 96 96 ILE HD12 H 1 0.916 0.030 . 1 . . . . 96 ILE HD1 . 10025 1 1143 . 1 1 96 96 ILE HD13 H 1 0.916 0.030 . 1 . . . . 96 ILE HD1 . 10025 1 1144 . 1 1 96 96 ILE C C 13 178.046 0.300 . 1 . . . . 96 ILE C . 10025 1 1145 . 1 1 96 96 ILE CA C 13 63.207 0.300 . 1 . . . . 96 ILE CA . 10025 1 1146 . 1 1 96 96 ILE CB C 13 36.817 0.300 . 1 . . . . 96 ILE CB . 10025 1 1147 . 1 1 96 96 ILE CG1 C 13 28.394 0.300 . 1 . . . . 96 ILE CG1 . 10025 1 1148 . 1 1 96 96 ILE CG2 C 13 16.939 0.300 . 1 . . . . 96 ILE CG2 . 10025 1 1149 . 1 1 96 96 ILE CD1 C 13 13.152 0.300 . 1 . . . . 96 ILE CD1 . 10025 1 1150 . 1 1 96 96 ILE N N 15 115.567 0.300 . 1 . . . . 96 ILE N . 10025 1 1151 . 1 1 97 97 ALA H H 1 8.356 0.030 . 1 . . . . 97 ALA H . 10025 1 1152 . 1 1 97 97 ALA HA H 1 3.985 0.030 . 1 . . . . 97 ALA HA . 10025 1 1153 . 1 1 97 97 ALA HB1 H 1 1.338 0.030 . 1 . . . . 97 ALA HB . 10025 1 1154 . 1 1 97 97 ALA HB2 H 1 1.338 0.030 . 1 . . . . 97 ALA HB . 10025 1 1155 . 1 1 97 97 ALA HB3 H 1 1.338 0.030 . 1 . . . . 97 ALA HB . 10025 1 1156 . 1 1 97 97 ALA C C 13 179.631 0.300 . 1 . . . . 97 ALA C . 10025 1 1157 . 1 1 97 97 ALA CA C 13 55.701 0.300 . 1 . . . . 97 ALA CA . 10025 1 1158 . 1 1 97 97 ALA CB C 13 18.279 0.300 . 1 . . . . 97 ALA CB . 10025 1 1159 . 1 1 97 97 ALA N N 15 118.695 0.300 . 1 . . . . 97 ALA N . 10025 1 1160 . 1 1 98 98 ASN H H 1 7.949 0.030 . 1 . . . . 98 ASN H . 10025 1 1161 . 1 1 98 98 ASN HA H 1 4.507 0.030 . 1 . . . . 98 ASN HA . 10025 1 1162 . 1 1 98 98 ASN HB2 H 1 2.971 0.030 . 2 . . . . 98 ASN HB2 . 10025 1 1163 . 1 1 98 98 ASN HB3 H 1 2.844 0.030 . 2 . . . . 98 ASN HB3 . 10025 1 1164 . 1 1 98 98 ASN HD21 H 1 7.598 0.030 . 2 . . . . 98 ASN HD21 . 10025 1 1165 . 1 1 98 98 ASN HD22 H 1 6.854 0.030 . 2 . . . . 98 ASN HD22 . 10025 1 1166 . 1 1 98 98 ASN C C 13 176.789 0.300 . 1 . . . . 98 ASN C . 10025 1 1167 . 1 1 98 98 ASN CA C 13 55.243 0.300 . 1 . . . . 98 ASN CA . 10025 1 1168 . 1 1 98 98 ASN CB C 13 38.918 0.300 . 1 . . . . 98 ASN CB . 10025 1 1169 . 1 1 98 98 ASN N N 15 113.456 0.300 . 1 . . . . 98 ASN N . 10025 1 1170 . 1 1 98 98 ASN ND2 N 15 112.781 0.300 . 1 . . . . 98 ASN ND2 . 10025 1 1171 . 1 1 99 99 GLU H H 1 7.617 0.030 . 1 . . . . 99 GLU H . 10025 1 1172 . 1 1 99 99 GLU HA H 1 4.210 0.030 . 1 . . . . 99 GLU HA . 10025 1 1173 . 1 1 99 99 GLU HB2 H 1 2.120 0.030 . 2 . . . . 99 GLU HB2 . 10025 1 1174 . 1 1 99 99 GLU HB3 H 1 1.998 0.030 . 2 . . . . 99 GLU HB3 . 10025 1 1175 . 1 1 99 99 GLU HG2 H 1 2.593 0.030 . 2 . . . . 99 GLU HG2 . 10025 1 1176 . 1 1 99 99 GLU HG3 H 1 2.268 0.030 . 2 . . . . 99 GLU HG3 . 10025 1 1177 . 1 1 99 99 GLU C C 13 176.545 0.300 . 1 . . . . 99 GLU C . 10025 1 1178 . 1 1 99 99 GLU CA C 13 56.758 0.300 . 1 . . . . 99 GLU CA . 10025 1 1179 . 1 1 99 99 GLU CB C 13 30.719 0.300 . 1 . . . . 99 GLU CB . 10025 1 1180 . 1 1 99 99 GLU CG C 13 37.029 0.300 . 1 . . . . 99 GLU CG . 10025 1 1181 . 1 1 99 99 GLU N N 15 118.332 0.300 . 1 . . . . 99 GLU N . 10025 1 1182 . 1 1 100 100 LEU H H 1 7.352 0.030 . 1 . . . . 100 LEU H . 10025 1 1183 . 1 1 100 100 LEU HA H 1 4.230 0.030 . 1 . . . . 100 LEU HA . 10025 1 1184 . 1 1 100 100 LEU HB2 H 1 2.004 0.030 . 2 . . . . 100 LEU HB2 . 10025 1 1185 . 1 1 100 100 LEU HB3 H 1 1.266 0.030 . 2 . . . . 100 LEU HB3 . 10025 1 1186 . 1 1 100 100 LEU HG H 1 2.253 0.030 . 1 . . . . 100 LEU HG . 10025 1 1187 . 1 1 100 100 LEU HD11 H 1 0.877 0.030 . 1 . . . . 100 LEU HD1 . 10025 1 1188 . 1 1 100 100 LEU HD12 H 1 0.877 0.030 . 1 . . . . 100 LEU HD1 . 10025 1 1189 . 1 1 100 100 LEU HD13 H 1 0.877 0.030 . 1 . . . . 100 LEU HD1 . 10025 1 1190 . 1 1 100 100 LEU HD21 H 1 0.815 0.030 . 1 . . . . 100 LEU HD2 . 10025 1 1191 . 1 1 100 100 LEU HD22 H 1 0.815 0.030 . 1 . . . . 100 LEU HD2 . 10025 1 1192 . 1 1 100 100 LEU HD23 H 1 0.815 0.030 . 1 . . . . 100 LEU HD2 . 10025 1 1193 . 1 1 100 100 LEU C C 13 176.058 0.300 . 1 . . . . 100 LEU C . 10025 1 1194 . 1 1 100 100 LEU CA C 13 55.472 0.300 . 1 . . . . 100 LEU CA . 10025 1 1195 . 1 1 100 100 LEU CB C 13 42.502 0.300 . 1 . . . . 100 LEU CB . 10025 1 1196 . 1 1 100 100 LEU CG C 13 25.897 0.300 . 1 . . . . 100 LEU CG . 10025 1 1197 . 1 1 100 100 LEU CD1 C 13 26.205 0.300 . 2 . . . . 100 LEU CD1 . 10025 1 1198 . 1 1 100 100 LEU CD2 C 13 24.712 0.300 . 2 . . . . 100 LEU CD2 . 10025 1 1199 . 1 1 100 100 LEU N N 15 120.288 0.300 . 1 . . . . 100 LEU N . 10025 1 1200 . 1 1 101 101 LYS H H 1 8.989 0.030 . 1 . . . . 101 LYS H . 10025 1 1201 . 1 1 101 101 LYS HA H 1 4.489 0.030 . 1 . . . . 101 LYS HA . 10025 1 1202 . 1 1 101 101 LYS HB2 H 1 1.828 0.030 . 2 . . . . 101 LYS HB2 . 10025 1 1203 . 1 1 101 101 LYS HB3 H 1 1.777 0.030 . 2 . . . . 101 LYS HB3 . 10025 1 1204 . 1 1 101 101 LYS HG2 H 1 1.480 0.030 . 2 . . . . 101 LYS HG2 . 10025 1 1205 . 1 1 101 101 LYS HG3 H 1 1.378 0.030 . 2 . . . . 101 LYS HG3 . 10025 1 1206 . 1 1 101 101 LYS HD2 H 1 1.696 0.030 . 1 . . . . 101 LYS HD2 . 10025 1 1207 . 1 1 101 101 LYS HD3 H 1 1.696 0.030 . 1 . . . . 101 LYS HD3 . 10025 1 1208 . 1 1 101 101 LYS HE2 H 1 3.027 0.030 . 1 . . . . 101 LYS HE2 . 10025 1 1209 . 1 1 101 101 LYS HE3 H 1 3.027 0.030 . 1 . . . . 101 LYS HE3 . 10025 1 1210 . 1 1 101 101 LYS C C 13 174.764 0.300 . 1 . . . . 101 LYS C . 10025 1 1211 . 1 1 101 101 LYS CA C 13 55.310 0.300 . 1 . . . . 101 LYS CA . 10025 1 1212 . 1 1 101 101 LYS CB C 13 30.533 0.300 . 1 . . . . 101 LYS CB . 10025 1 1213 . 1 1 101 101 LYS CG C 13 24.243 0.300 . 1 . . . . 101 LYS CG . 10025 1 1214 . 1 1 101 101 LYS CD C 13 28.835 0.300 . 1 . . . . 101 LYS CD . 10025 1 1215 . 1 1 101 101 LYS CE C 13 42.421 0.300 . 1 . . . . 101 LYS CE . 10025 1 1216 . 1 1 101 101 LYS N N 15 127.727 0.300 . 1 . . . . 101 LYS N . 10025 1 1217 . 1 1 102 102 LEU H H 1 7.674 0.030 . 1 . . . . 102 LEU H . 10025 1 1218 . 1 1 102 102 LEU HA H 1 4.559 0.030 . 1 . . . . 102 LEU HA . 10025 1 1219 . 1 1 102 102 LEU HB2 H 1 1.734 0.030 . 2 . . . . 102 LEU HB2 . 10025 1 1220 . 1 1 102 102 LEU HB3 H 1 1.673 0.030 . 2 . . . . 102 LEU HB3 . 10025 1 1221 . 1 1 102 102 LEU HG H 1 1.508 0.030 . 1 . . . . 102 LEU HG . 10025 1 1222 . 1 1 102 102 LEU HD11 H 1 0.847 0.030 . 1 . . . . 102 LEU HD1 . 10025 1 1223 . 1 1 102 102 LEU HD12 H 1 0.847 0.030 . 1 . . . . 102 LEU HD1 . 10025 1 1224 . 1 1 102 102 LEU HD13 H 1 0.847 0.030 . 1 . . . . 102 LEU HD1 . 10025 1 1225 . 1 1 102 102 LEU HD21 H 1 0.884 0.030 . 1 . . . . 102 LEU HD2 . 10025 1 1226 . 1 1 102 102 LEU HD22 H 1 0.884 0.030 . 1 . . . . 102 LEU HD2 . 10025 1 1227 . 1 1 102 102 LEU HD23 H 1 0.884 0.030 . 1 . . . . 102 LEU HD2 . 10025 1 1228 . 1 1 102 102 LEU C C 13 181.839 0.300 . 1 . . . . 102 LEU C . 10025 1 1229 . 1 1 102 102 LEU CA C 13 54.626 0.300 . 1 . . . . 102 LEU CA . 10025 1 1230 . 1 1 102 102 LEU CB C 13 43.725 0.300 . 1 . . . . 102 LEU CB . 10025 1 1231 . 1 1 102 102 LEU CG C 13 28.596 0.300 . 1 . . . . 102 LEU CG . 10025 1 1232 . 1 1 102 102 LEU CD1 C 13 26.893 0.300 . 2 . . . . 102 LEU CD1 . 10025 1 1233 . 1 1 102 102 LEU CD2 C 13 23.830 0.300 . 2 . . . . 102 LEU CD2 . 10025 1 1234 . 1 1 102 102 LEU N N 15 127.774 0.300 . 1 . . . . 102 LEU N . 10025 1 stop_ save_