data_18765 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18765 _Entry.Title ; Backbone and side-chain assignments of 1H, 15N and 13C chemical shifts of RNA recognition motif 1 (RRM1) of TAR DNA-binding protein (TDP-43) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-07 _Entry.Accession_date 2012-10-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Chung-ke Chang . . . 18765 2 Ming-hui Chiang . . . 18765 3 Elsie Toh . K.-W. . 18765 4 Tai-huang Huang . . . 18765 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Tai-huang Huang group; Academia Sinica' . 18765 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18765 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 415 18765 '15N chemical shifts' 99 18765 '1H chemical shifts' 642 18765 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 2 . . 2014-02-17 2012-10-07 update BMRB 'update entry citation' 18765 1 . . 2013-01-16 2012-10-07 original author 'original release' 18765 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18765 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23384725 _Citation.Full_citation . _Citation.Title 'Molecular mechanism of oxidation-induced TDP-43 RRM1 aggregation and loss of function.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 587 _Citation.Journal_issue 6 _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 575 _Citation.Page_last 582 _Citation.Year 2013 _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 Chung-ke Chang . . . 18765 1 2 Ming-hui Chiang . . . 18765 1 3 'Elsie Khai-Woon' Toh . . . 18765 1 4 Chi-Fon Chang . . . 18765 1 5 Tai-huang Huang . . . 18765 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18765 _Assembly.ID 1 _Assembly.Name 'RRM1 monomer' _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 RRM1 1 $RRM1 A . yes native no no . . . 18765 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRM1 _Entity.Sf_category entity _Entity.Sf_framecode RRM1 _Entity.Entry_ID 18765 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RRM1 _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 ; MRGSHHHHHHGSQKTSDLIV LGLPWKTTEQDLKEYFSTFG EVLMVQVKKDLKTGHSKGFG FVRFTEYETQVKVMSQRHMI DGRWCDCKLPNSKQSQDEPL RSR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-12 represent a non-native affinity tag. The rest of the molecule corresponds to residues 101-191 in native TDP-43 protein.' _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 103 _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 2015-11-25 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 2CQG . "Solution Structure Of The Rna Binding Domain Of Tar Dna- Binding Protein-43" . . . . . 82.52 103 100.00 100.00 2.85e-55 . . . . 18765 1 2 no PDB 4IUF . "Crystal Structure Of Human Tdp-43 Rrm1 Domain In Complex With A Single-stranded Dna" . . . . . 74.76 77 100.00 100.00 3.20e-49 . . . . 18765 1 3 no DBJ BAC27753 . "unnamed protein product [Mus musculus]" . . . . . 88.35 414 97.80 98.90 7.73e-57 . . . . 18765 1 4 no DBJ BAC32395 . "unnamed protein product [Mus musculus]" . . . . . 88.35 298 97.80 98.90 9.16e-57 . . . . 18765 1 5 no DBJ BAC38861 . "unnamed protein product [Mus musculus]" . . . . . 88.35 301 97.80 98.90 1.81e-56 . . . . 18765 1 6 no DBJ BAD96474 . "TAR DNA binding protein variant [Homo sapiens]" . . . . . 88.35 414 100.00 100.00 2.35e-58 . . . . 18765 1 7 no DBJ BAE21557 . "unnamed protein product [Mus musculus]" . . . . . 88.35 414 97.80 98.90 7.10e-57 . . . . 18765 1 8 no EMBL CAB43367 . "hypothetical protein [Homo sapiens]" . . . . . 88.35 414 100.00 100.00 2.76e-58 . . . . 18765 1 9 no EMBL CAG38565 . "TARDBP [Homo sapiens]" . . . . . 88.35 414 100.00 100.00 2.76e-58 . . . . 18765 1 10 no EMBL CAH92854 . "hypothetical protein [Pongo abelii]" . . . . . 88.35 414 100.00 100.00 2.82e-58 . . . . 18765 1 11 no EMBL CAL37794 . "hypothetical protein [synthetic construct]" . . . . . 88.35 414 100.00 100.00 2.40e-58 . . . . 18765 1 12 no GB AAA70033 . "TAR DNA-binding protein-43 [Homo sapiens]" . . . . . 88.35 414 100.00 100.00 2.76e-58 . . . . 18765 1 13 no GB AAH12873 . "TAR DNA binding protein [Mus musculus]" . . . . . 88.35 414 97.80 98.90 7.73e-57 . . . . 18765 1 14 no GB AAH25544 . "TAR DNA binding protein [Mus musculus]" . . . . . 88.35 414 97.80 98.90 7.73e-57 . . . . 18765 1 15 no GB AAH27105 . "TAR DNA binding protein [Mus musculus]" . . . . . 88.35 295 97.80 98.90 9.42e-57 . . . . 18765 1 16 no GB AAH27772 . "TAR DNA binding protein [Mus musculus]" . . . . . 88.35 414 97.80 98.90 7.73e-57 . . . . 18765 1 17 no REF NP_001003898 . "TAR DNA-binding protein 43 isoform 5 [Mus musculus]" . . . . . 88.35 298 97.80 98.90 9.16e-57 . . . . 18765 1 18 no REF NP_001003899 . "TAR DNA-binding protein 43 isoform 3 [Mus musculus]" . . . . . 88.35 295 97.80 98.90 9.42e-57 . . . . 18765 1 19 no REF NP_001008545 . "TAR DNA-binding protein 43 isoform 2 [Mus musculus]" . . . . . 88.35 304 97.80 98.90 1.21e-56 . . . . 18765 1 20 no REF NP_001008546 . "TAR DNA-binding protein 43 isoform 4 [Mus musculus]" . . . . . 88.35 302 97.80 98.90 1.67e-56 . . . . 18765 1 21 no REF NP_001011979 . "TAR DNA-binding protein 43 [Rattus norvegicus]" . . . . . 88.35 285 97.80 98.90 8.27e-57 . . . . 18765 1 22 no SP Q13148 . "RecName: Full=TAR DNA-binding protein 43; Short=TDP-43" . . . . . 88.35 414 100.00 100.00 2.76e-58 . . . . 18765 1 23 no SP Q5R5W2 . "RecName: Full=TAR DNA-binding protein 43; Short=TDP-43" . . . . . 88.35 414 100.00 100.00 2.82e-58 . . . . 18765 1 24 no SP Q921F2 . "RecName: Full=TAR DNA-binding protein 43; Short=TDP-43" . . . . . 88.35 414 97.80 98.90 7.73e-57 . . . . 18765 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'nucleic acid binding' 18765 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 . MET . 18765 1 2 . ARG . 18765 1 3 . GLY . 18765 1 4 . SER . 18765 1 5 . HIS . 18765 1 6 . HIS . 18765 1 7 . HIS . 18765 1 8 . HIS . 18765 1 9 . HIS . 18765 1 10 . HIS . 18765 1 11 . GLY . 18765 1 12 . SER . 18765 1 13 . GLN . 18765 1 14 . LYS . 18765 1 15 . THR . 18765 1 16 . SER . 18765 1 17 . ASP . 18765 1 18 . LEU . 18765 1 19 . ILE . 18765 1 20 . VAL . 18765 1 21 . LEU . 18765 1 22 . GLY . 18765 1 23 . LEU . 18765 1 24 . PRO . 18765 1 25 . TRP . 18765 1 26 . LYS . 18765 1 27 . THR . 18765 1 28 . THR . 18765 1 29 . GLU . 18765 1 30 . GLN . 18765 1 31 . ASP . 18765 1 32 . LEU . 18765 1 33 . LYS . 18765 1 34 . GLU . 18765 1 35 . TYR . 18765 1 36 . PHE . 18765 1 37 . SER . 18765 1 38 . THR . 18765 1 39 . PHE . 18765 1 40 . GLY . 18765 1 41 . GLU . 18765 1 42 . VAL . 18765 1 43 . LEU . 18765 1 44 . MET . 18765 1 45 . VAL . 18765 1 46 . GLN . 18765 1 47 . VAL . 18765 1 48 . LYS . 18765 1 49 . LYS . 18765 1 50 . ASP . 18765 1 51 . LEU . 18765 1 52 . LYS . 18765 1 53 . THR . 18765 1 54 . GLY . 18765 1 55 . HIS . 18765 1 56 . SER . 18765 1 57 . LYS . 18765 1 58 . GLY . 18765 1 59 . PHE . 18765 1 60 . GLY . 18765 1 61 . PHE . 18765 1 62 . VAL . 18765 1 63 . ARG . 18765 1 64 . PHE . 18765 1 65 . THR . 18765 1 66 . GLU . 18765 1 67 . TYR . 18765 1 68 . GLU . 18765 1 69 . THR . 18765 1 70 . GLN . 18765 1 71 . VAL . 18765 1 72 . LYS . 18765 1 73 . VAL . 18765 1 74 . MET . 18765 1 75 . SER . 18765 1 76 . GLN . 18765 1 77 . ARG . 18765 1 78 . HIS . 18765 1 79 . MET . 18765 1 80 . ILE . 18765 1 81 . ASP . 18765 1 82 . GLY . 18765 1 83 . ARG . 18765 1 84 . TRP . 18765 1 85 . CYS . 18765 1 86 . ASP . 18765 1 87 . CYS . 18765 1 88 . LYS . 18765 1 89 . LEU . 18765 1 90 . PRO . 18765 1 91 . ASN . 18765 1 92 . SER . 18765 1 93 . LYS . 18765 1 94 . GLN . 18765 1 95 . SER . 18765 1 96 . GLN . 18765 1 97 . ASP . 18765 1 98 . GLU . 18765 1 99 . PRO . 18765 1 100 . LEU . 18765 1 101 . ARG . 18765 1 102 . SER . 18765 1 103 . ARG . 18765 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 . MET 1 1 18765 1 . ARG 2 2 18765 1 . GLY 3 3 18765 1 . SER 4 4 18765 1 . HIS 5 5 18765 1 . HIS 6 6 18765 1 . HIS 7 7 18765 1 . HIS 8 8 18765 1 . HIS 9 9 18765 1 . HIS 10 10 18765 1 . GLY 11 11 18765 1 . SER 12 12 18765 1 . GLN 13 13 18765 1 . LYS 14 14 18765 1 . THR 15 15 18765 1 . SER 16 16 18765 1 . ASP 17 17 18765 1 . LEU 18 18 18765 1 . ILE 19 19 18765 1 . VAL 20 20 18765 1 . LEU 21 21 18765 1 . GLY 22 22 18765 1 . LEU 23 23 18765 1 . PRO 24 24 18765 1 . TRP 25 25 18765 1 . LYS 26 26 18765 1 . THR 27 27 18765 1 . THR 28 28 18765 1 . GLU 29 29 18765 1 . GLN 30 30 18765 1 . ASP 31 31 18765 1 . LEU 32 32 18765 1 . LYS 33 33 18765 1 . GLU 34 34 18765 1 . TYR 35 35 18765 1 . PHE 36 36 18765 1 . SER 37 37 18765 1 . THR 38 38 18765 1 . PHE 39 39 18765 1 . GLY 40 40 18765 1 . GLU 41 41 18765 1 . VAL 42 42 18765 1 . LEU 43 43 18765 1 . MET 44 44 18765 1 . VAL 45 45 18765 1 . GLN 46 46 18765 1 . VAL 47 47 18765 1 . LYS 48 48 18765 1 . LYS 49 49 18765 1 . ASP 50 50 18765 1 . LEU 51 51 18765 1 . LYS 52 52 18765 1 . THR 53 53 18765 1 . GLY 54 54 18765 1 . HIS 55 55 18765 1 . SER 56 56 18765 1 . LYS 57 57 18765 1 . GLY 58 58 18765 1 . PHE 59 59 18765 1 . GLY 60 60 18765 1 . PHE 61 61 18765 1 . VAL 62 62 18765 1 . ARG 63 63 18765 1 . PHE 64 64 18765 1 . THR 65 65 18765 1 . GLU 66 66 18765 1 . TYR 67 67 18765 1 . GLU 68 68 18765 1 . THR 69 69 18765 1 . GLN 70 70 18765 1 . VAL 71 71 18765 1 . LYS 72 72 18765 1 . VAL 73 73 18765 1 . MET 74 74 18765 1 . SER 75 75 18765 1 . GLN 76 76 18765 1 . ARG 77 77 18765 1 . HIS 78 78 18765 1 . MET 79 79 18765 1 . ILE 80 80 18765 1 . ASP 81 81 18765 1 . GLY 82 82 18765 1 . ARG 83 83 18765 1 . TRP 84 84 18765 1 . CYS 85 85 18765 1 . ASP 86 86 18765 1 . CYS 87 87 18765 1 . LYS 88 88 18765 1 . LEU 89 89 18765 1 . PRO 90 90 18765 1 . ASN 91 91 18765 1 . SER 92 92 18765 1 . LYS 93 93 18765 1 . GLN 94 94 18765 1 . SER 95 95 18765 1 . GLN 96 96 18765 1 . ASP 97 97 18765 1 . GLU 98 98 18765 1 . PRO 99 99 18765 1 . LEU 100 100 18765 1 . ARG 101 101 18765 1 . SER 102 102 18765 1 . ARG 103 103 18765 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 18765 _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 $RRM1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18765 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 18765 _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 $RRM1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli M15 . . . . . . . . . . . . . . . pQE30 . . . . . . 18765 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18765 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.6' _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 RRM1 '[U-100% 13C; U-100% 15N]' . . 1 $RRM1 . . 0.5 . . mM . . . . 18765 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 18765 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18765 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18765 1 5 imidazole 'natural abundance' . . . . . . 50 . . mM . . . . 18765 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18765 _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 pH 6.6 . pH 18765 1 pressure 1 . atm 18765 1 temperature 298 . K 18765 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 18765 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18765 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18765 1 'peak picking' 18765 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 18765 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18765 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18765 2 processing 18765 2 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 18765 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18765 _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 . 600 . . . 18765 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 18765 _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 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 2 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 4 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 6 '3D HN(CO)CACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 7 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 8 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 9 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 10 '3D 1H-15N TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 11 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 12 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 13 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 14 '2D 1H-13C TROSY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 15 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18765 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18765 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18765 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 0.00 na indirect 0.251449530 . . . . . . . . . 18765 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18765 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18765 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18765 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 1H-15N HSQC' . . . 18765 1 2 '2D 1H-13C HSQC aliphatic' . . . 18765 1 3 '3D HNCO' . . . 18765 1 4 '3D HNCA' . . . 18765 1 5 '3D HNCACB' . . . 18765 1 6 '3D HN(CO)CACB' . . . 18765 1 7 '3D HN(CO)CA' . . . 18765 1 8 '3D HN(CA)CO' . . . 18765 1 9 '3D C(CO)NH' . . . 18765 1 10 '3D 1H-15N TOCSY' . . . 18765 1 11 '3D HCCH-TOCSY' . . . 18765 1 12 '3D 1H-15N NOESY' . . . 18765 1 13 '3D 1H-13C NOESY aliphatic' . . . 18765 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG C C 13 176.546 0.000 . 1 . . . . 2 ARG C . 18765 1 2 . 1 1 2 2 ARG CA C 13 56.516 0.056 . 1 . . . . 2 ARG CA . 18765 1 3 . 1 1 2 2 ARG CB C 13 30.742 0.000 . 1 . . . . 2 ARG CB . 18765 1 4 . 1 1 2 2 ARG CG C 13 27.058 0.000 . 1 . . . . 2 ARG CG . 18765 1 5 . 1 1 2 2 ARG CD C 13 43.323 0.000 . 1 . . . . 2 ARG CD . 18765 1 6 . 1 1 3 3 GLY H H 1 8.594 0.008 . 1 . . . . 3 GLY H . 18765 1 7 . 1 1 3 3 GLY HA2 H 1 4.001 0.000 . 1 . . . . 3 GLY HA2 . 18765 1 8 . 1 1 3 3 GLY HA3 H 1 4.001 0.000 . 1 . . . . 3 GLY HA3 . 18765 1 9 . 1 1 3 3 GLY C C 13 174.024 0.000 . 1 . . . . 3 GLY C . 18765 1 10 . 1 1 3 3 GLY CA C 13 45.026 0.153 . 1 . . . . 3 GLY CA . 18765 1 11 . 1 1 3 3 GLY N N 15 111.041 0.026 . 1 . . . . 3 GLY N . 18765 1 12 . 1 1 4 4 SER H H 1 8.218 0.002 . 1 . . . . 4 SER H . 18765 1 13 . 1 1 4 4 SER N N 15 115.567 0.144 . 1 . . . . 4 SER N . 18765 1 14 . 1 1 11 11 GLY CA C 13 45.427 0.076 . 1 . . . . 11 GLY CA . 18765 1 15 . 1 1 12 12 SER H H 1 8.286 0.004 . 1 . . . . 12 SER H . 18765 1 16 . 1 1 12 12 SER HA H 1 4.404 0.004 . 1 . . . . 12 SER HA . 18765 1 17 . 1 1 12 12 SER HB2 H 1 4.127 0.005 . 1 . . . . 12 SER HB2 . 18765 1 18 . 1 1 12 12 SER HB3 H 1 4.127 0.005 . 1 . . . . 12 SER HB3 . 18765 1 19 . 1 1 12 12 SER C C 13 174.514 0.050 . 1 . . . . 12 SER C . 18765 1 20 . 1 1 12 12 SER CA C 13 58.560 0.097 . 1 . . . . 12 SER CA . 18765 1 21 . 1 1 12 12 SER CB C 13 63.727 0.090 . 1 . . . . 12 SER CB . 18765 1 22 . 1 1 12 12 SER N N 15 115.703 0.100 . 1 . . . . 12 SER N . 18765 1 23 . 1 1 13 13 GLN H H 1 8.221 0.002 . 1 . . . . 13 GLN H . 18765 1 24 . 1 1 13 13 GLN HA H 1 4.113 0.001 . 1 . . . . 13 GLN HA . 18765 1 25 . 1 1 13 13 GLN HB2 H 1 1.556 0.012 . 2 . . . . 13 GLN HB2 . 18765 1 26 . 1 1 13 13 GLN HB3 H 1 1.550 0.007 . 2 . . . . 13 GLN HB3 . 18765 1 27 . 1 1 13 13 GLN HG2 H 1 2.010 0.016 . 2 . . . . 13 GLN HG2 . 18765 1 28 . 1 1 13 13 GLN HG3 H 1 2.034 0.013 . 2 . . . . 13 GLN HG3 . 18765 1 29 . 1 1 13 13 GLN HE21 H 1 6.735 0.002 . 1 . . . . 13 GLN HE21 . 18765 1 30 . 1 1 13 13 GLN HE22 H 1 7.311 0.001 . 1 . . . . 13 GLN HE22 . 18765 1 31 . 1 1 13 13 GLN C C 13 175.317 0.012 . 1 . . . . 13 GLN C . 18765 1 32 . 1 1 13 13 GLN CA C 13 55.792 0.174 . 1 . . . . 13 GLN CA . 18765 1 33 . 1 1 13 13 GLN CB C 13 29.153 0.120 . 1 . . . . 13 GLN CB . 18765 1 34 . 1 1 13 13 GLN CG C 13 33.782 0.003 . 1 . . . . 13 GLN CG . 18765 1 35 . 1 1 13 13 GLN N N 15 122.123 0.024 . 1 . . . . 13 GLN N . 18765 1 36 . 1 1 13 13 GLN NE2 N 15 112.354 0.051 . 1 . . . . 13 GLN NE2 . 18765 1 37 . 1 1 14 14 LYS H H 1 8.191 0.004 . 1 . . . . 14 LYS H . 18765 1 38 . 1 1 14 14 LYS HA H 1 4.450 0.003 . 1 . . . . 14 LYS HA . 18765 1 39 . 1 1 14 14 LYS HB2 H 1 1.776 0.009 . 1 . . . . 14 LYS HB2 . 18765 1 40 . 1 1 14 14 LYS HB3 H 1 1.776 0.009 . 1 . . . . 14 LYS HB3 . 18765 1 41 . 1 1 14 14 LYS HG2 H 1 1.441 0.003 . 1 . . . . 14 LYS HG2 . 18765 1 42 . 1 1 14 14 LYS HG3 H 1 1.441 0.003 . 1 . . . . 14 LYS HG3 . 18765 1 43 . 1 1 14 14 LYS HD2 H 1 1.658 0.014 . 1 . . . . 14 LYS HD2 . 18765 1 44 . 1 1 14 14 LYS HD3 H 1 1.658 0.014 . 1 . . . . 14 LYS HD3 . 18765 1 45 . 1 1 14 14 LYS HE2 H 1 2.952 0.011 . 1 . . . . 14 LYS HE2 . 18765 1 46 . 1 1 14 14 LYS HE3 H 1 2.952 0.011 . 1 . . . . 14 LYS HE3 . 18765 1 47 . 1 1 14 14 LYS C C 13 177.100 0.017 . 1 . . . . 14 LYS C . 18765 1 48 . 1 1 14 14 LYS CA C 13 55.947 0.038 . 1 . . . . 14 LYS CA . 18765 1 49 . 1 1 14 14 LYS CB C 13 33.481 0.096 . 1 . . . . 14 LYS CB . 18765 1 50 . 1 1 14 14 LYS CG C 13 24.602 0.000 . 1 . . . . 14 LYS CG . 18765 1 51 . 1 1 14 14 LYS CD C 13 29.016 0.000 . 1 . . . . 14 LYS CD . 18765 1 52 . 1 1 14 14 LYS CE C 13 42.160 0.019 . 1 . . . . 14 LYS CE . 18765 1 53 . 1 1 14 14 LYS N N 15 122.092 0.015 . 1 . . . . 14 LYS N . 18765 1 54 . 1 1 15 15 THR H H 1 8.281 0.003 . 1 . . . . 15 THR H . 18765 1 55 . 1 1 15 15 THR HA H 1 4.740 0.020 . 1 . . . . 15 THR HA . 18765 1 56 . 1 1 15 15 THR HB H 1 4.743 0.016 . 1 . . . . 15 THR HB . 18765 1 57 . 1 1 15 15 THR HG21 H 1 1.152 0.000 . 1 . . . . 15 THR HG21 . 18765 1 58 . 1 1 15 15 THR HG22 H 1 1.152 0.000 . 1 . . . . 15 THR HG22 . 18765 1 59 . 1 1 15 15 THR HG23 H 1 1.152 0.000 . 1 . . . . 15 THR HG23 . 18765 1 60 . 1 1 15 15 THR C C 13 174.445 0.019 . 1 . . . . 15 THR C . 18765 1 61 . 1 1 15 15 THR CA C 13 60.370 0.118 . 1 . . . . 15 THR CA . 18765 1 62 . 1 1 15 15 THR CB C 13 71.318 0.089 . 1 . . . . 15 THR CB . 18765 1 63 . 1 1 15 15 THR CG2 C 13 22.350 0.000 . 1 . . . . 15 THR CG2 . 18765 1 64 . 1 1 15 15 THR N N 15 112.416 0.026 . 1 . . . . 15 THR N . 18765 1 65 . 1 1 16 16 SER H H 1 8.578 0.003 . 1 . . . . 16 SER H . 18765 1 66 . 1 1 16 16 SER HA H 1 4.713 0.004 . 1 . . . . 16 SER HA . 18765 1 67 . 1 1 16 16 SER HB2 H 1 3.484 0.001 . 2 . . . . 16 SER HB2 . 18765 1 68 . 1 1 16 16 SER HB3 H 1 3.859 0.002 . 2 . . . . 16 SER HB3 . 18765 1 69 . 1 1 16 16 SER C C 13 172.230 0.027 . 1 . . . . 16 SER C . 18765 1 70 . 1 1 16 16 SER CA C 13 57.256 0.122 . 1 . . . . 16 SER CA . 18765 1 71 . 1 1 16 16 SER CB C 13 66.388 0.153 . 1 . . . . 16 SER CB . 18765 1 72 . 1 1 16 16 SER N N 15 114.598 0.012 . 1 . . . . 16 SER N . 18765 1 73 . 1 1 17 17 ASP H H 1 8.399 0.001 . 1 . . . . 17 ASP H . 18765 1 74 . 1 1 17 17 ASP HA H 1 4.474 0.007 . 1 . . . . 17 ASP HA . 18765 1 75 . 1 1 17 17 ASP HB2 H 1 2.231 0.001 . 2 . . . . 17 ASP HB2 . 18765 1 76 . 1 1 17 17 ASP HB3 H 1 2.505 0.005 . 2 . . . . 17 ASP HB3 . 18765 1 77 . 1 1 17 17 ASP C C 13 175.284 0.020 . 1 . . . . 17 ASP C . 18765 1 78 . 1 1 17 17 ASP CA C 13 55.505 0.126 . 1 . . . . 17 ASP CA . 18765 1 79 . 1 1 17 17 ASP CB C 13 40.323 0.113 . 1 . . . . 17 ASP CB . 18765 1 80 . 1 1 17 17 ASP N N 15 123.182 0.072 . 1 . . . . 17 ASP N . 18765 1 81 . 1 1 18 18 LEU H H 1 9.136 0.003 . 1 . . . . 18 LEU H . 18765 1 82 . 1 1 18 18 LEU HA H 1 4.843 0.012 . 1 . . . . 18 LEU HA . 18765 1 83 . 1 1 18 18 LEU HB2 H 1 1.645 0.004 . 1 . . . . 18 LEU HB2 . 18765 1 84 . 1 1 18 18 LEU HB3 H 1 1.645 0.004 . 1 . . . . 18 LEU HB3 . 18765 1 85 . 1 1 18 18 LEU HG H 1 1.686 0.001 . 1 . . . . 18 LEU HG . 18765 1 86 . 1 1 18 18 LEU HD11 H 1 0.938 0.002 . 2 . . . . 18 LEU HD11 . 18765 1 87 . 1 1 18 18 LEU HD12 H 1 0.938 0.002 . 2 . . . . 18 LEU HD12 . 18765 1 88 . 1 1 18 18 LEU HD13 H 1 0.938 0.002 . 2 . . . . 18 LEU HD13 . 18765 1 89 . 1 1 18 18 LEU HD21 H 1 0.972 0.005 . 2 . . . . 18 LEU HD21 . 18765 1 90 . 1 1 18 18 LEU HD22 H 1 0.972 0.005 . 2 . . . . 18 LEU HD22 . 18765 1 91 . 1 1 18 18 LEU HD23 H 1 0.972 0.005 . 2 . . . . 18 LEU HD23 . 18765 1 92 . 1 1 18 18 LEU C C 13 176.806 0.006 . 1 . . . . 18 LEU C . 18765 1 93 . 1 1 18 18 LEU CA C 13 53.174 0.079 . 1 . . . . 18 LEU CA . 18765 1 94 . 1 1 18 18 LEU CB C 13 42.848 0.077 . 1 . . . . 18 LEU CB . 18765 1 95 . 1 1 18 18 LEU CG C 13 26.382 0.000 . 1 . . . . 18 LEU CG . 18765 1 96 . 1 1 18 18 LEU CD1 C 13 23.477 0.000 . 2 . . . . 18 LEU CD1 . 18765 1 97 . 1 1 18 18 LEU CD2 C 13 25.570 0.000 . 2 . . . . 18 LEU CD2 . 18765 1 98 . 1 1 18 18 LEU N N 15 121.877 0.038 . 1 . . . . 18 LEU N . 18765 1 99 . 1 1 19 19 ILE H H 1 9.141 0.005 . 1 . . . . 19 ILE H . 18765 1 100 . 1 1 19 19 ILE HA H 1 4.786 0.003 . 1 . . . . 19 ILE HA . 18765 1 101 . 1 1 19 19 ILE HB H 1 1.504 0.004 . 1 . . . . 19 ILE HB . 18765 1 102 . 1 1 19 19 ILE HG12 H 1 1.329 0.001 . 2 . . . . 19 ILE HG12 . 18765 1 103 . 1 1 19 19 ILE HG13 H 1 1.325 0.004 . 2 . . . . 19 ILE HG13 . 18765 1 104 . 1 1 19 19 ILE HG21 H 1 0.818 0.002 . 1 . . . . 19 ILE HG21 . 18765 1 105 . 1 1 19 19 ILE HG22 H 1 0.818 0.002 . 1 . . . . 19 ILE HG22 . 18765 1 106 . 1 1 19 19 ILE HG23 H 1 0.818 0.002 . 1 . . . . 19 ILE HG23 . 18765 1 107 . 1 1 19 19 ILE HD11 H 1 0.642 0.005 . 1 . . . . 19 ILE HD11 . 18765 1 108 . 1 1 19 19 ILE HD12 H 1 0.642 0.005 . 1 . . . . 19 ILE HD12 . 18765 1 109 . 1 1 19 19 ILE HD13 H 1 0.642 0.005 . 1 . . . . 19 ILE HD13 . 18765 1 110 . 1 1 19 19 ILE C C 13 173.346 0.008 . 1 . . . . 19 ILE C . 18765 1 111 . 1 1 19 19 ILE CA C 13 59.489 0.046 . 1 . . . . 19 ILE CA . 18765 1 112 . 1 1 19 19 ILE CB C 13 41.265 0.094 . 1 . . . . 19 ILE CB . 18765 1 113 . 1 1 19 19 ILE CG1 C 13 28.685 0.009 . 1 . . . . 19 ILE CG1 . 18765 1 114 . 1 1 19 19 ILE CG2 C 13 15.555 0.060 . 1 . . . . 19 ILE CG2 . 18765 1 115 . 1 1 19 19 ILE CD1 C 13 14.617 0.065 . 1 . . . . 19 ILE CD1 . 18765 1 116 . 1 1 19 19 ILE N N 15 121.652 0.121 . 1 . . . . 19 ILE N . 18765 1 117 . 1 1 20 20 VAL H H 1 8.702 0.009 . 1 . . . . 20 VAL H . 18765 1 118 . 1 1 20 20 VAL HA H 1 4.813 0.005 . 1 . . . . 20 VAL HA . 18765 1 119 . 1 1 20 20 VAL HB H 1 1.724 0.002 . 1 . . . . 20 VAL HB . 18765 1 120 . 1 1 20 20 VAL HG11 H 1 0.817 0.000 . 2 . . . . 20 VAL HG11 . 18765 1 121 . 1 1 20 20 VAL HG12 H 1 0.817 0.000 . 2 . . . . 20 VAL HG12 . 18765 1 122 . 1 1 20 20 VAL HG13 H 1 0.817 0.000 . 2 . . . . 20 VAL HG13 . 18765 1 123 . 1 1 20 20 VAL HG21 H 1 0.881 0.000 . 2 . . . . 20 VAL HG21 . 18765 1 124 . 1 1 20 20 VAL HG22 H 1 0.881 0.000 . 2 . . . . 20 VAL HG22 . 18765 1 125 . 1 1 20 20 VAL HG23 H 1 0.881 0.000 . 2 . . . . 20 VAL HG23 . 18765 1 126 . 1 1 20 20 VAL C C 13 175.039 0.005 . 1 . . . . 20 VAL C . 18765 1 127 . 1 1 20 20 VAL CA C 13 60.457 0.111 . 1 . . . . 20 VAL CA . 18765 1 128 . 1 1 20 20 VAL CB C 13 32.777 0.118 . 1 . . . . 20 VAL CB . 18765 1 129 . 1 1 20 20 VAL CG2 C 13 21.036 0.000 . 1 . . . . 20 VAL CG2 . 18765 1 130 . 1 1 20 20 VAL N N 15 127.503 0.040 . 1 . . . . 20 VAL N . 18765 1 131 . 1 1 21 21 LEU H H 1 8.931 0.004 . 1 . . . . 21 LEU H . 18765 1 132 . 1 1 21 21 LEU HA H 1 4.760 0.006 . 1 . . . . 21 LEU HA . 18765 1 133 . 1 1 21 21 LEU HB2 H 1 1.625 0.000 . 2 . . . . 21 LEU HB2 . 18765 1 134 . 1 1 21 21 LEU HB3 H 1 1.793 0.005 . 2 . . . . 21 LEU HB3 . 18765 1 135 . 1 1 21 21 LEU HG H 1 1.508 0.005 . 1 . . . . 21 LEU HG . 18765 1 136 . 1 1 21 21 LEU HD11 H 1 0.802 0.002 . 2 . . . . 21 LEU HD11 . 18765 1 137 . 1 1 21 21 LEU HD12 H 1 0.802 0.002 . 2 . . . . 21 LEU HD12 . 18765 1 138 . 1 1 21 21 LEU HD13 H 1 0.802 0.002 . 2 . . . . 21 LEU HD13 . 18765 1 139 . 1 1 21 21 LEU HD21 H 1 0.847 0.001 . 2 . . . . 21 LEU HD21 . 18765 1 140 . 1 1 21 21 LEU HD22 H 1 0.847 0.001 . 2 . . . . 21 LEU HD22 . 18765 1 141 . 1 1 21 21 LEU HD23 H 1 0.847 0.001 . 2 . . . . 21 LEU HD23 . 18765 1 142 . 1 1 21 21 LEU C C 13 177.482 0.023 . 1 . . . . 21 LEU C . 18765 1 143 . 1 1 21 21 LEU CA C 13 54.259 0.032 . 1 . . . . 21 LEU CA . 18765 1 144 . 1 1 21 21 LEU CB C 13 44.888 0.111 . 1 . . . . 21 LEU CB . 18765 1 145 . 1 1 21 21 LEU CG C 13 25.840 0.000 . 1 . . . . 21 LEU CG . 18765 1 146 . 1 1 21 21 LEU CD1 C 13 23.486 0.000 . 2 . . . . 21 LEU CD1 . 18765 1 147 . 1 1 21 21 LEU CD2 C 13 23.792 0.000 . 2 . . . . 21 LEU CD2 . 18765 1 148 . 1 1 21 21 LEU N N 15 125.961 0.035 . 1 . . . . 21 LEU N . 18765 1 149 . 1 1 22 22 GLY H H 1 8.518 0.003 . 1 . . . . 22 GLY H . 18765 1 150 . 1 1 22 22 GLY HA2 H 1 4.415 0.003 . 2 . . . . 22 GLY HA2 . 18765 1 151 . 1 1 22 22 GLY HA3 H 1 3.727 0.002 . 2 . . . . 22 GLY HA3 . 18765 1 152 . 1 1 22 22 GLY C C 13 175.357 0.011 . 1 . . . . 22 GLY C . 18765 1 153 . 1 1 22 22 GLY CA C 13 45.762 0.137 . 1 . . . . 22 GLY CA . 18765 1 154 . 1 1 22 22 GLY N N 15 107.619 0.024 . 1 . . . . 22 GLY N . 18765 1 155 . 1 1 23 23 LEU H H 1 7.393 0.002 . 1 . . . . 23 LEU H . 18765 1 156 . 1 1 23 23 LEU HA H 1 4.096 0.003 . 1 . . . . 23 LEU HA . 18765 1 157 . 1 1 23 23 LEU HB2 H 1 1.176 0.008 . 2 . . . . 23 LEU HB2 . 18765 1 158 . 1 1 23 23 LEU HB3 H 1 1.361 0.002 . 2 . . . . 23 LEU HB3 . 18765 1 159 . 1 1 23 23 LEU HG H 1 1.486 0.001 . 1 . . . . 23 LEU HG . 18765 1 160 . 1 1 23 23 LEU HD11 H 1 0.851 0.001 . 2 . . . . 23 LEU HD11 . 18765 1 161 . 1 1 23 23 LEU HD12 H 1 0.851 0.001 . 2 . . . . 23 LEU HD12 . 18765 1 162 . 1 1 23 23 LEU HD13 H 1 0.851 0.001 . 2 . . . . 23 LEU HD13 . 18765 1 163 . 1 1 23 23 LEU HD21 H 1 0.649 0.001 . 2 . . . . 23 LEU HD21 . 18765 1 164 . 1 1 23 23 LEU HD22 H 1 0.649 0.001 . 2 . . . . 23 LEU HD22 . 18765 1 165 . 1 1 23 23 LEU HD23 H 1 0.649 0.001 . 2 . . . . 23 LEU HD23 . 18765 1 166 . 1 1 23 23 LEU C C 13 175.484 0.000 . 1 . . . . 23 LEU C . 18765 1 167 . 1 1 23 23 LEU CA C 13 53.054 0.042 . 1 . . . . 23 LEU CA . 18765 1 168 . 1 1 23 23 LEU CB C 13 42.279 0.001 . 1 . . . . 23 LEU CB . 18765 1 169 . 1 1 23 23 LEU CG C 13 26.980 0.020 . 1 . . . . 23 LEU CG . 18765 1 170 . 1 1 23 23 LEU CD1 C 13 24.481 0.026 . 2 . . . . 23 LEU CD1 . 18765 1 171 . 1 1 23 23 LEU CD2 C 13 26.359 0.000 . 2 . . . . 23 LEU CD2 . 18765 1 172 . 1 1 23 23 LEU N N 15 117.881 0.024 . 1 . . . . 23 LEU N . 18765 1 173 . 1 1 24 24 PRO HA H 1 4.382 0.003 . 1 . . . . 24 PRO HA . 18765 1 174 . 1 1 24 24 PRO HB2 H 1 1.848 0.007 . 2 . . . . 24 PRO HB2 . 18765 1 175 . 1 1 24 24 PRO HB3 H 1 2.248 0.007 . 2 . . . . 24 PRO HB3 . 18765 1 176 . 1 1 24 24 PRO HG2 H 1 1.953 0.002 . 2 . . . . 24 PRO HG2 . 18765 1 177 . 1 1 24 24 PRO HG3 H 1 1.953 0.003 . 2 . . . . 24 PRO HG3 . 18765 1 178 . 1 1 24 24 PRO HD2 H 1 3.658 0.024 . 2 . . . . 24 PRO HD2 . 18765 1 179 . 1 1 24 24 PRO HD3 H 1 3.722 0.002 . 2 . . . . 24 PRO HD3 . 18765 1 180 . 1 1 24 24 PRO C C 13 177.678 0.000 . 1 . . . . 24 PRO C . 18765 1 181 . 1 1 24 24 PRO CA C 13 62.286 0.045 . 1 . . . . 24 PRO CA . 18765 1 182 . 1 1 24 24 PRO CB C 13 31.875 0.042 . 1 . . . . 24 PRO CB . 18765 1 183 . 1 1 24 24 PRO CG C 13 27.828 0.000 . 1 . . . . 24 PRO CG . 18765 1 184 . 1 1 24 24 PRO CD C 13 50.540 0.028 . 1 . . . . 24 PRO CD . 18765 1 185 . 1 1 25 25 TRP H H 1 8.099 0.004 . 1 . . . . 25 TRP H . 18765 1 186 . 1 1 25 25 TRP HA H 1 4.570 0.000 . 1 . . . . 25 TRP HA . 18765 1 187 . 1 1 25 25 TRP HB2 H 1 3.012 0.000 . 1 . . . . 25 TRP HB2 . 18765 1 188 . 1 1 25 25 TRP HB3 H 1 3.012 0.000 . 1 . . . . 25 TRP HB3 . 18765 1 189 . 1 1 25 25 TRP HD1 H 1 7.315 0.000 . 1 . . . . 25 TRP HD1 . 18765 1 190 . 1 1 25 25 TRP HE1 H 1 10.161 0.001 . 1 . . . . 25 TRP HE1 . 18765 1 191 . 1 1 25 25 TRP HZ2 H 1 7.422 0.000 . 1 . . . . 25 TRP HZ2 . 18765 1 192 . 1 1 25 25 TRP C C 13 177.183 0.017 . 1 . . . . 25 TRP C . 18765 1 193 . 1 1 25 25 TRP CA C 13 59.017 0.139 . 1 . . . . 25 TRP CA . 18765 1 194 . 1 1 25 25 TRP CB C 13 28.832 0.037 . 1 . . . . 25 TRP CB . 18765 1 195 . 1 1 25 25 TRP CZ2 C 13 114.801 0.000 . 1 . . . . 25 TRP CZ2 . 18765 1 196 . 1 1 25 25 TRP N N 15 122.042 0.055 . 1 . . . . 25 TRP N . 18765 1 197 . 1 1 25 25 TRP NE1 N 15 129.369 0.011 . 1 . . . . 25 TRP NE1 . 18765 1 198 . 1 1 26 26 LYS H H 1 7.416 0.005 . 1 . . . . 26 LYS H . 18765 1 199 . 1 1 26 26 LYS HA H 1 4.008 0.004 . 1 . . . . 26 LYS HA . 18765 1 200 . 1 1 26 26 LYS HB2 H 1 1.655 0.013 . 2 . . . . 26 LYS HB2 . 18765 1 201 . 1 1 26 26 LYS HB3 H 1 1.351 0.011 . 2 . . . . 26 LYS HB3 . 18765 1 202 . 1 1 26 26 LYS HG2 H 1 1.088 0.004 . 1 . . . . 26 LYS HG2 . 18765 1 203 . 1 1 26 26 LYS HG3 H 1 1.088 0.004 . 1 . . . . 26 LYS HG3 . 18765 1 204 . 1 1 26 26 LYS HD2 H 1 1.486 0.003 . 1 . . . . 26 LYS HD2 . 18765 1 205 . 1 1 26 26 LYS HD3 H 1 1.487 0.003 . 1 . . . . 26 LYS HD3 . 18765 1 206 . 1 1 26 26 LYS HE2 H 1 2.841 0.003 . 1 . . . . 26 LYS HE2 . 18765 1 207 . 1 1 26 26 LYS HE3 H 1 2.841 0.003 . 1 . . . . 26 LYS HE3 . 18765 1 208 . 1 1 26 26 LYS C C 13 176.580 0.011 . 1 . . . . 26 LYS C . 18765 1 209 . 1 1 26 26 LYS CA C 13 56.825 0.078 . 1 . . . . 26 LYS CA . 18765 1 210 . 1 1 26 26 LYS CB C 13 32.067 0.123 . 1 . . . . 26 LYS CB . 18765 1 211 . 1 1 26 26 LYS CG C 13 23.476 0.039 . 1 . . . . 26 LYS CG . 18765 1 212 . 1 1 26 26 LYS CD C 13 29.145 0.019 . 1 . . . . 26 LYS CD . 18765 1 213 . 1 1 26 26 LYS CE C 13 41.579 0.028 . 1 . . . . 26 LYS CE . 18765 1 214 . 1 1 26 26 LYS N N 15 113.430 0.043 . 1 . . . . 26 LYS N . 18765 1 215 . 1 1 27 27 THR H H 1 7.157 0.003 . 1 . . . . 27 THR H . 18765 1 216 . 1 1 27 27 THR HA H 1 4.053 0.003 . 1 . . . . 27 THR HA . 18765 1 217 . 1 1 27 27 THR HB H 1 3.710 0.001 . 1 . . . . 27 THR HB . 18765 1 218 . 1 1 27 27 THR HG21 H 1 1.191 0.005 . 1 . . . . 27 THR HG21 . 18765 1 219 . 1 1 27 27 THR HG22 H 1 1.191 0.005 . 1 . . . . 27 THR HG22 . 18765 1 220 . 1 1 27 27 THR HG23 H 1 1.191 0.005 . 1 . . . . 27 THR HG23 . 18765 1 221 . 1 1 27 27 THR C C 13 175.418 0.000 . 1 . . . . 27 THR C . 18765 1 222 . 1 1 27 27 THR CA C 13 65.500 0.053 . 1 . . . . 27 THR CA . 18765 1 223 . 1 1 27 27 THR CB C 13 68.528 0.057 . 1 . . . . 27 THR CB . 18765 1 224 . 1 1 27 27 THR CG2 C 13 23.191 0.056 . 1 . . . . 27 THR CG2 . 18765 1 225 . 1 1 27 27 THR N N 15 119.027 0.029 . 1 . . . . 27 THR N . 18765 1 226 . 1 1 28 28 THR H H 1 9.186 0.003 . 1 . . . . 28 THR H . 18765 1 227 . 1 1 28 28 THR HA H 1 4.703 0.005 . 1 . . . . 28 THR HA . 18765 1 228 . 1 1 28 28 THR HB H 1 4.725 0.003 . 1 . . . . 28 THR HB . 18765 1 229 . 1 1 28 28 THR HG21 H 1 1.387 0.004 . 1 . . . . 28 THR HG21 . 18765 1 230 . 1 1 28 28 THR HG22 H 1 1.387 0.004 . 1 . . . . 28 THR HG22 . 18765 1 231 . 1 1 28 28 THR HG23 H 1 1.387 0.004 . 1 . . . . 28 THR HG23 . 18765 1 232 . 1 1 28 28 THR C C 13 175.740 0.008 . 1 . . . . 28 THR C . 18765 1 233 . 1 1 28 28 THR CA C 13 59.957 0.030 . 1 . . . . 28 THR CA . 18765 1 234 . 1 1 28 28 THR CB C 13 73.202 0.102 . 1 . . . . 28 THR CB . 18765 1 235 . 1 1 28 28 THR CG2 C 13 21.750 0.011 . 1 . . . . 28 THR CG2 . 18765 1 236 . 1 1 28 28 THR N N 15 119.396 0.016 . 1 . . . . 28 THR N . 18765 1 237 . 1 1 29 29 GLU H H 1 9.316 0.003 . 1 . . . . 29 GLU H . 18765 1 238 . 1 1 29 29 GLU HA H 1 3.694 0.008 . 1 . . . . 29 GLU HA . 18765 1 239 . 1 1 29 29 GLU HB2 H 1 1.982 0.001 . 2 . . . . 29 GLU HB2 . 18765 1 240 . 1 1 29 29 GLU HB3 H 1 2.126 0.001 . 2 . . . . 29 GLU HB3 . 18765 1 241 . 1 1 29 29 GLU HG2 H 1 2.356 0.005 . 1 . . . . 29 GLU HG2 . 18765 1 242 . 1 1 29 29 GLU HG3 H 1 2.356 0.005 . 1 . . . . 29 GLU HG3 . 18765 1 243 . 1 1 29 29 GLU C C 13 177.954 0.000 . 1 . . . . 29 GLU C . 18765 1 244 . 1 1 29 29 GLU CA C 13 60.979 0.131 . 1 . . . . 29 GLU CA . 18765 1 245 . 1 1 29 29 GLU CB C 13 28.823 0.082 . 1 . . . . 29 GLU CB . 18765 1 246 . 1 1 29 29 GLU CG C 13 38.090 0.028 . 1 . . . . 29 GLU CG . 18765 1 247 . 1 1 29 29 GLU N N 15 120.070 0.019 . 1 . . . . 29 GLU N . 18765 1 248 . 1 1 30 30 GLN H H 1 8.272 0.004 . 1 . . . . 30 GLN H . 18765 1 249 . 1 1 30 30 GLN HA H 1 4.006 0.006 . 1 . . . . 30 GLN HA . 18765 1 250 . 1 1 30 30 GLN HB2 H 1 2.139 0.004 . 2 . . . . 30 GLN HB2 . 18765 1 251 . 1 1 30 30 GLN HB3 H 1 1.930 0.006 . 2 . . . . 30 GLN HB3 . 18765 1 252 . 1 1 30 30 GLN HG2 H 1 2.423 0.018 . 2 . . . . 30 GLN HG2 . 18765 1 253 . 1 1 30 30 GLN HG3 H 1 2.453 0.016 . 2 . . . . 30 GLN HG3 . 18765 1 254 . 1 1 30 30 GLN HE21 H 1 6.853 0.000 . 1 . . . . 30 GLN HE21 . 18765 1 255 . 1 1 30 30 GLN HE22 H 1 7.827 0.000 . 1 . . . . 30 GLN HE22 . 18765 1 256 . 1 1 30 30 GLN C C 13 178.147 0.029 . 1 . . . . 30 GLN C . 18765 1 257 . 1 1 30 30 GLN CA C 13 59.232 0.037 . 1 . . . . 30 GLN CA . 18765 1 258 . 1 1 30 30 GLN CB C 13 27.649 0.096 . 1 . . . . 30 GLN CB . 18765 1 259 . 1 1 30 30 GLN CG C 13 33.422 0.000 . 1 . . . . 30 GLN CG . 18765 1 260 . 1 1 30 30 GLN N N 15 119.359 0.049 . 1 . . . . 30 GLN N . 18765 1 261 . 1 1 30 30 GLN NE2 N 15 112.703 0.003 . 1 . . . . 30 GLN NE2 . 18765 1 262 . 1 1 31 31 ASP H H 1 7.569 0.003 . 1 . . . . 31 ASP H . 18765 1 263 . 1 1 31 31 ASP HA H 1 4.324 0.007 . 1 . . . . 31 ASP HA . 18765 1 264 . 1 1 31 31 ASP HB2 H 1 3.089 0.005 . 2 . . . . 31 ASP HB2 . 18765 1 265 . 1 1 31 31 ASP HB3 H 1 2.658 0.003 . 2 . . . . 31 ASP HB3 . 18765 1 266 . 1 1 31 31 ASP C C 13 179.852 0.005 . 1 . . . . 31 ASP C . 18765 1 267 . 1 1 31 31 ASP CA C 13 57.344 0.137 . 1 . . . . 31 ASP CA . 18765 1 268 . 1 1 31 31 ASP CB C 13 41.140 0.128 . 1 . . . . 31 ASP CB . 18765 1 269 . 1 1 31 31 ASP N N 15 119.600 0.023 . 1 . . . . 31 ASP N . 18765 1 270 . 1 1 32 32 LEU H H 1 8.058 0.003 . 1 . . . . 32 LEU H . 18765 1 271 . 1 1 32 32 LEU HA H 1 4.036 0.006 . 1 . . . . 32 LEU HA . 18765 1 272 . 1 1 32 32 LEU HB2 H 1 1.882 0.007 . 2 . . . . 32 LEU HB2 . 18765 1 273 . 1 1 32 32 LEU HB3 H 1 1.596 0.009 . 2 . . . . 32 LEU HB3 . 18765 1 274 . 1 1 32 32 LEU HG H 1 1.797 0.003 . 1 . . . . 32 LEU HG . 18765 1 275 . 1 1 32 32 LEU HD11 H 1 0.809 0.010 . 2 . . . . 32 LEU HD11 . 18765 1 276 . 1 1 32 32 LEU HD12 H 1 0.809 0.010 . 2 . . . . 32 LEU HD12 . 18765 1 277 . 1 1 32 32 LEU HD13 H 1 0.809 0.010 . 2 . . . . 32 LEU HD13 . 18765 1 278 . 1 1 32 32 LEU HD21 H 1 0.804 0.004 . 2 . . . . 32 LEU HD21 . 18765 1 279 . 1 1 32 32 LEU HD22 H 1 0.804 0.004 . 2 . . . . 32 LEU HD22 . 18765 1 280 . 1 1 32 32 LEU HD23 H 1 0.804 0.004 . 2 . . . . 32 LEU HD23 . 18765 1 281 . 1 1 32 32 LEU C C 13 178.486 0.000 . 1 . . . . 32 LEU C . 18765 1 282 . 1 1 32 32 LEU CA C 13 57.643 0.046 . 1 . . . . 32 LEU CA . 18765 1 283 . 1 1 32 32 LEU CB C 13 42.602 0.089 . 1 . . . . 32 LEU CB . 18765 1 284 . 1 1 32 32 LEU CG C 13 26.295 0.000 . 1 . . . . 32 LEU CG . 18765 1 285 . 1 1 32 32 LEU CD1 C 13 23.836 0.092 . 1 . . . . 32 LEU CD1 . 18765 1 286 . 1 1 32 32 LEU N N 15 119.501 0.034 . 1 . . . . 32 LEU N . 18765 1 287 . 1 1 33 33 LYS H H 1 8.747 0.003 . 1 . . . . 33 LYS H . 18765 1 288 . 1 1 33 33 LYS HA H 1 3.878 0.006 . 1 . . . . 33 LYS HA . 18765 1 289 . 1 1 33 33 LYS HB2 H 1 2.086 0.002 . 2 . . . . 33 LYS HB2 . 18765 1 290 . 1 1 33 33 LYS HB3 H 1 1.907 0.008 . 2 . . . . 33 LYS HB3 . 18765 1 291 . 1 1 33 33 LYS HG2 H 1 1.470 0.000 . 2 . . . . 33 LYS HG2 . 18765 1 292 . 1 1 33 33 LYS HG3 H 1 1.286 0.009 . 2 . . . . 33 LYS HG3 . 18765 1 293 . 1 1 33 33 LYS HD2 H 1 1.671 0.004 . 1 . . . . 33 LYS HD2 . 18765 1 294 . 1 1 33 33 LYS HD3 H 1 1.671 0.004 . 1 . . . . 33 LYS HD3 . 18765 1 295 . 1 1 33 33 LYS HE2 H 1 2.930 0.007 . 1 . . . . 33 LYS HE2 . 18765 1 296 . 1 1 33 33 LYS HE3 H 1 2.930 0.007 . 1 . . . . 33 LYS HE3 . 18765 1 297 . 1 1 33 33 LYS C C 13 179.452 0.020 . 1 . . . . 33 LYS C . 18765 1 298 . 1 1 33 33 LYS CA C 13 60.632 0.119 . 1 . . . . 33 LYS CA . 18765 1 299 . 1 1 33 33 LYS CB C 13 32.166 0.081 . 1 . . . . 33 LYS CB . 18765 1 300 . 1 1 33 33 LYS CG C 13 25.330 0.037 . 1 . . . . 33 LYS CG . 18765 1 301 . 1 1 33 33 LYS CD C 13 29.147 0.000 . 1 . . . . 33 LYS CD . 18765 1 302 . 1 1 33 33 LYS CE C 13 42.140 0.000 . 1 . . . . 33 LYS CE . 18765 1 303 . 1 1 33 33 LYS N N 15 120.866 0.023 . 1 . . . . 33 LYS N . 18765 1 304 . 1 1 34 34 GLU H H 1 8.386 0.004 . 1 . . . . 34 GLU H . 18765 1 305 . 1 1 34 34 GLU HA H 1 3.998 0.003 . 1 . . . . 34 GLU HA . 18765 1 306 . 1 1 34 34 GLU HB2 H 1 2.134 0.001 . 2 . . . . 34 GLU HB2 . 18765 1 307 . 1 1 34 34 GLU HB3 H 1 2.135 0.002 . 2 . . . . 34 GLU HB3 . 18765 1 308 . 1 1 34 34 GLU HG2 H 1 2.313 0.000 . 2 . . . . 34 GLU HG2 . 18765 1 309 . 1 1 34 34 GLU HG3 H 1 2.481 0.002 . 2 . . . . 34 GLU HG3 . 18765 1 310 . 1 1 34 34 GLU C C 13 178.780 0.013 . 1 . . . . 34 GLU C . 18765 1 311 . 1 1 34 34 GLU CA C 13 59.591 0.028 . 1 . . . . 34 GLU CA . 18765 1 312 . 1 1 34 34 GLU CB C 13 29.420 0.067 . 1 . . . . 34 GLU CB . 18765 1 313 . 1 1 34 34 GLU CG C 13 36.428 0.018 . 1 . . . . 34 GLU CG . 18765 1 314 . 1 1 34 34 GLU N N 15 120.248 0.067 . 1 . . . . 34 GLU N . 18765 1 315 . 1 1 35 35 TYR H H 1 7.952 0.003 . 1 . . . . 35 TYR H . 18765 1 316 . 1 1 35 35 TYR HA H 1 4.195 0.002 . 1 . . . . 35 TYR HA . 18765 1 317 . 1 1 35 35 TYR HB2 H 1 2.522 0.003 . 2 . . . . 35 TYR HB2 . 18765 1 318 . 1 1 35 35 TYR HB3 H 1 3.142 0.002 . 2 . . . . 35 TYR HB3 . 18765 1 319 . 1 1 35 35 TYR HD1 H 1 6.063 0.003 . 3 . . . . 35 TYR HD1 . 18765 1 320 . 1 1 35 35 TYR HD2 H 1 6.063 0.003 . 3 . . . . 35 TYR HD2 . 18765 1 321 . 1 1 35 35 TYR HE1 H 1 6.547 0.001 . 3 . . . . 35 TYR HE1 . 18765 1 322 . 1 1 35 35 TYR HE2 H 1 6.547 0.001 . 3 . . . . 35 TYR HE2 . 18765 1 323 . 1 1 35 35 TYR C C 13 178.318 0.023 . 1 . . . . 35 TYR C . 18765 1 324 . 1 1 35 35 TYR CA C 13 61.929 0.062 . 1 . . . . 35 TYR CA . 18765 1 325 . 1 1 35 35 TYR CB C 13 38.358 0.041 . 1 . . . . 35 TYR CB . 18765 1 326 . 1 1 35 35 TYR CD1 C 13 132.243 0.023 . 3 . . . . 35 TYR CD1 . 18765 1 327 . 1 1 35 35 TYR CD2 C 13 132.243 0.023 . 3 . . . . 35 TYR CD2 . 18765 1 328 . 1 1 35 35 TYR CE1 C 13 118.150 0.005 . 3 . . . . 35 TYR CE1 . 18765 1 329 . 1 1 35 35 TYR CE2 C 13 118.150 0.005 . 3 . . . . 35 TYR CE2 . 18765 1 330 . 1 1 35 35 TYR N N 15 118.260 0.033 . 1 . . . . 35 TYR N . 18765 1 331 . 1 1 36 36 PHE H H 1 8.985 0.003 . 1 . . . . 36 PHE H . 18765 1 332 . 1 1 36 36 PHE HA H 1 4.545 0.012 . 1 . . . . 36 PHE HA . 18765 1 333 . 1 1 36 36 PHE HB2 H 1 2.936 0.008 . 2 . . . . 36 PHE HB2 . 18765 1 334 . 1 1 36 36 PHE HB3 H 1 3.500 0.003 . 2 . . . . 36 PHE HB3 . 18765 1 335 . 1 1 36 36 PHE HD1 H 1 7.291 0.001 . 3 . . . . 36 PHE HD1 . 18765 1 336 . 1 1 36 36 PHE HD2 H 1 7.291 0.001 . 3 . . . . 36 PHE HD2 . 18765 1 337 . 1 1 36 36 PHE HE1 H 1 7.020 0.000 . 3 . . . . 36 PHE HE1 . 18765 1 338 . 1 1 36 36 PHE HE2 H 1 7.020 0.000 . 3 . . . . 36 PHE HE2 . 18765 1 339 . 1 1 36 36 PHE C C 13 178.062 0.059 . 1 . . . . 36 PHE C . 18765 1 340 . 1 1 36 36 PHE CA C 13 62.708 0.125 . 1 . . . . 36 PHE CA . 18765 1 341 . 1 1 36 36 PHE CB C 13 38.221 0.085 . 1 . . . . 36 PHE CB . 18765 1 342 . 1 1 36 36 PHE CD1 C 13 131.700 0.000 . 3 . . . . 36 PHE CD1 . 18765 1 343 . 1 1 36 36 PHE CD2 C 13 131.700 0.000 . 3 . . . . 36 PHE CD2 . 18765 1 344 . 1 1 36 36 PHE CE1 C 13 131.804 0.000 . 3 . . . . 36 PHE CE1 . 18765 1 345 . 1 1 36 36 PHE CE2 C 13 131.804 0.000 . 3 . . . . 36 PHE CE2 . 18765 1 346 . 1 1 36 36 PHE N N 15 116.791 0.022 . 1 . . . . 36 PHE N . 18765 1 347 . 1 1 37 37 SER H H 1 8.249 0.011 . 1 . . . . 37 SER H . 18765 1 348 . 1 1 37 37 SER HA H 1 5.187 0.005 . 1 . . . . 37 SER HA . 18765 1 349 . 1 1 37 37 SER HB2 H 1 4.067 0.008 . 2 . . . . 37 SER HB2 . 18765 1 350 . 1 1 37 37 SER HB3 H 1 4.090 0.015 . 2 . . . . 37 SER HB3 . 18765 1 351 . 1 1 37 37 SER C C 13 175.259 0.000 . 1 . . . . 37 SER C . 18765 1 352 . 1 1 37 37 SER CA C 13 61.418 0.132 . 1 . . . . 37 SER CA . 18765 1 353 . 1 1 37 37 SER CB C 13 63.109 0.025 . 1 . . . . 37 SER CB . 18765 1 354 . 1 1 37 37 SER N N 15 115.099 0.081 . 1 . . . . 37 SER N . 18765 1 355 . 1 1 38 38 THR H H 1 7.368 0.006 . 1 . . . . 38 THR H . 18765 1 356 . 1 1 38 38 THR HA H 1 3.981 0.009 . 1 . . . . 38 THR HA . 18765 1 357 . 1 1 38 38 THR HB H 1 3.793 0.010 . 1 . . . . 38 THR HB . 18765 1 358 . 1 1 38 38 THR HG21 H 1 1.095 0.002 . 1 . . . . 38 THR HG21 . 18765 1 359 . 1 1 38 38 THR HG22 H 1 1.095 0.002 . 1 . . . . 38 THR HG22 . 18765 1 360 . 1 1 38 38 THR HG23 H 1 1.095 0.002 . 1 . . . . 38 THR HG23 . 18765 1 361 . 1 1 38 38 THR C C 13 175.695 0.000 . 1 . . . . 38 THR C . 18765 1 362 . 1 1 38 38 THR CA C 13 64.521 0.110 . 1 . . . . 38 THR CA . 18765 1 363 . 1 1 38 38 THR CB C 13 68.713 0.099 . 1 . . . . 38 THR CB . 18765 1 364 . 1 1 38 38 THR CG2 C 13 20.984 0.054 . 1 . . . . 38 THR CG2 . 18765 1 365 . 1 1 38 38 THR N N 15 112.569 0.032 . 1 . . . . 38 THR N . 18765 1 366 . 1 1 39 39 PHE H H 1 7.844 0.005 . 1 . . . . 39 PHE H . 18765 1 367 . 1 1 39 39 PHE HA H 1 4.271 0.010 . 1 . . . . 39 PHE HA . 18765 1 368 . 1 1 39 39 PHE HB2 H 1 2.742 0.001 . 2 . . . . 39 PHE HB2 . 18765 1 369 . 1 1 39 39 PHE HB3 H 1 2.967 0.006 . 2 . . . . 39 PHE HB3 . 18765 1 370 . 1 1 39 39 PHE HD1 H 1 7.286 0.000 . 3 . . . . 39 PHE HD1 . 18765 1 371 . 1 1 39 39 PHE HD2 H 1 7.286 0.000 . 3 . . . . 39 PHE HD2 . 18765 1 372 . 1 1 39 39 PHE C C 13 175.560 0.017 . 1 . . . . 39 PHE C . 18765 1 373 . 1 1 39 39 PHE CA C 13 59.900 0.041 . 1 . . . . 39 PHE CA . 18765 1 374 . 1 1 39 39 PHE CB C 13 39.764 0.091 . 1 . . . . 39 PHE CB . 18765 1 375 . 1 1 39 39 PHE N N 15 118.710 0.030 . 1 . . . . 39 PHE N . 18765 1 376 . 1 1 40 40 GLY H H 1 7.567 0.002 . 1 . . . . 40 GLY H . 18765 1 377 . 1 1 40 40 GLY HA2 H 1 3.958 0.002 . 2 . . . . 40 GLY HA2 . 18765 1 378 . 1 1 40 40 GLY HA3 H 1 4.222 0.005 . 2 . . . . 40 GLY HA3 . 18765 1 379 . 1 1 40 40 GLY C C 13 170.212 0.021 . 1 . . . . 40 GLY C . 18765 1 380 . 1 1 40 40 GLY CA C 13 44.672 0.071 . 1 . . . . 40 GLY CA . 18765 1 381 . 1 1 40 40 GLY N N 15 105.762 0.013 . 1 . . . . 40 GLY N . 18765 1 382 . 1 1 41 41 GLU H H 1 8.259 0.003 . 1 . . . . 41 GLU H . 18765 1 383 . 1 1 41 41 GLU HA H 1 4.305 0.006 . 1 . . . . 41 GLU HA . 18765 1 384 . 1 1 41 41 GLU HB2 H 1 2.121 0.000 . 1 . . . . 41 GLU HB2 . 18765 1 385 . 1 1 41 41 GLU HB3 H 1 2.121 0.000 . 1 . . . . 41 GLU HB3 . 18765 1 386 . 1 1 41 41 GLU HG2 H 1 2.140 0.008 . 2 . . . . 41 GLU HG2 . 18765 1 387 . 1 1 41 41 GLU HG3 H 1 2.300 0.005 . 2 . . . . 41 GLU HG3 . 18765 1 388 . 1 1 41 41 GLU C C 13 176.966 0.009 . 1 . . . . 41 GLU C . 18765 1 389 . 1 1 41 41 GLU CA C 13 58.151 0.039 . 1 . . . . 41 GLU CA . 18765 1 390 . 1 1 41 41 GLU CB C 13 30.209 0.091 . 1 . . . . 41 GLU CB . 18765 1 391 . 1 1 41 41 GLU CG C 13 36.810 0.030 . 1 . . . . 41 GLU CG . 18765 1 392 . 1 1 41 41 GLU N N 15 117.585 0.033 . 1 . . . . 41 GLU N . 18765 1 393 . 1 1 42 42 VAL H H 1 8.936 0.003 . 1 . . . . 42 VAL H . 18765 1 394 . 1 1 42 42 VAL HA H 1 3.937 0.003 . 1 . . . . 42 VAL HA . 18765 1 395 . 1 1 42 42 VAL HB H 1 1.884 0.003 . 1 . . . . 42 VAL HB . 18765 1 396 . 1 1 42 42 VAL HG11 H 1 0.951 0.002 . 2 . . . . 42 VAL HG11 . 18765 1 397 . 1 1 42 42 VAL HG12 H 1 0.951 0.002 . 2 . . . . 42 VAL HG12 . 18765 1 398 . 1 1 42 42 VAL HG13 H 1 0.951 0.002 . 2 . . . . 42 VAL HG13 . 18765 1 399 . 1 1 42 42 VAL HG21 H 1 0.603 0.003 . 2 . . . . 42 VAL HG21 . 18765 1 400 . 1 1 42 42 VAL HG22 H 1 0.603 0.003 . 2 . . . . 42 VAL HG22 . 18765 1 401 . 1 1 42 42 VAL HG23 H 1 0.603 0.003 . 2 . . . . 42 VAL HG23 . 18765 1 402 . 1 1 42 42 VAL C C 13 175.540 0.017 . 1 . . . . 42 VAL C . 18765 1 403 . 1 1 42 42 VAL CA C 13 61.856 0.089 . 1 . . . . 42 VAL CA . 18765 1 404 . 1 1 42 42 VAL CB C 13 33.968 0.084 . 1 . . . . 42 VAL CB . 18765 1 405 . 1 1 42 42 VAL CG2 C 13 22.366 0.086 . 1 . . . . 42 VAL CG2 . 18765 1 406 . 1 1 42 42 VAL N N 15 127.809 0.039 . 1 . . . . 42 VAL N . 18765 1 407 . 1 1 43 43 LEU H H 1 8.935 0.003 . 1 . . . . 43 LEU H . 18765 1 408 . 1 1 43 43 LEU HA H 1 4.304 0.005 . 1 . . . . 43 LEU HA . 18765 1 409 . 1 1 43 43 LEU HB2 H 1 1.226 0.021 . 2 . . . . 43 LEU HB2 . 18765 1 410 . 1 1 43 43 LEU HB3 H 1 1.254 0.022 . 2 . . . . 43 LEU HB3 . 18765 1 411 . 1 1 43 43 LEU HG H 1 1.503 0.006 . 1 . . . . 43 LEU HG . 18765 1 412 . 1 1 43 43 LEU HD11 H 1 0.794 0.013 . 2 . . . . 43 LEU HD11 . 18765 1 413 . 1 1 43 43 LEU HD12 H 1 0.794 0.013 . 2 . . . . 43 LEU HD12 . 18765 1 414 . 1 1 43 43 LEU HD13 H 1 0.794 0.013 . 2 . . . . 43 LEU HD13 . 18765 1 415 . 1 1 43 43 LEU HD21 H 1 0.761 0.015 . 2 . . . . 43 LEU HD21 . 18765 1 416 . 1 1 43 43 LEU HD22 H 1 0.761 0.015 . 2 . . . . 43 LEU HD22 . 18765 1 417 . 1 1 43 43 LEU HD23 H 1 0.761 0.015 . 2 . . . . 43 LEU HD23 . 18765 1 418 . 1 1 43 43 LEU C C 13 176.830 0.032 . 1 . . . . 43 LEU C . 18765 1 419 . 1 1 43 43 LEU CA C 13 55.883 0.058 . 1 . . . . 43 LEU CA . 18765 1 420 . 1 1 43 43 LEU CB C 13 44.304 0.089 . 1 . . . . 43 LEU CB . 18765 1 421 . 1 1 43 43 LEU CG C 13 26.810 0.038 . 1 . . . . 43 LEU CG . 18765 1 422 . 1 1 43 43 LEU CD1 C 13 24.376 0.000 . 2 . . . . 43 LEU CD1 . 18765 1 423 . 1 1 43 43 LEU CD2 C 13 24.468 0.053 . 2 . . . . 43 LEU CD2 . 18765 1 424 . 1 1 43 43 LEU N N 15 127.883 0.056 . 1 . . . . 43 LEU N . 18765 1 425 . 1 1 44 44 MET H H 1 7.432 0.003 . 1 . . . . 44 MET H . 18765 1 426 . 1 1 44 44 MET HA H 1 4.547 0.008 . 1 . . . . 44 MET HA . 18765 1 427 . 1 1 44 44 MET HB2 H 1 1.954 0.007 . 2 . . . . 44 MET HB2 . 18765 1 428 . 1 1 44 44 MET HB3 H 1 1.760 0.011 . 2 . . . . 44 MET HB3 . 18765 1 429 . 1 1 44 44 MET HG2 H 1 2.463 0.021 . 2 . . . . 44 MET HG2 . 18765 1 430 . 1 1 44 44 MET HG3 H 1 2.399 0.004 . 2 . . . . 44 MET HG3 . 18765 1 431 . 1 1 44 44 MET HE1 H 1 1.772 0.002 . 1 . . . . 44 MET HE1 . 18765 1 432 . 1 1 44 44 MET HE2 H 1 1.772 0.002 . 1 . . . . 44 MET HE2 . 18765 1 433 . 1 1 44 44 MET HE3 H 1 1.772 0.002 . 1 . . . . 44 MET HE3 . 18765 1 434 . 1 1 44 44 MET C C 13 173.262 0.017 . 1 . . . . 44 MET C . 18765 1 435 . 1 1 44 44 MET CA C 13 55.004 0.086 . 1 . . . . 44 MET CA . 18765 1 436 . 1 1 44 44 MET CB C 13 34.619 0.089 . 1 . . . . 44 MET CB . 18765 1 437 . 1 1 44 44 MET CG C 13 31.360 0.008 . 1 . . . . 44 MET CG . 18765 1 438 . 1 1 44 44 MET CE C 13 16.957 0.000 . 1 . . . . 44 MET CE . 18765 1 439 . 1 1 44 44 MET N N 15 117.940 0.053 . 1 . . . . 44 MET N . 18765 1 440 . 1 1 45 45 VAL H H 1 8.176 0.002 . 1 . . . . 45 VAL H . 18765 1 441 . 1 1 45 45 VAL HA H 1 5.072 0.005 . 1 . . . . 45 VAL HA . 18765 1 442 . 1 1 45 45 VAL HB H 1 1.971 0.003 . 1 . . . . 45 VAL HB . 18765 1 443 . 1 1 45 45 VAL HG11 H 1 0.944 0.002 . 1 . . . . 45 VAL HG11 . 18765 1 444 . 1 1 45 45 VAL HG12 H 1 0.944 0.002 . 1 . . . . 45 VAL HG12 . 18765 1 445 . 1 1 45 45 VAL HG13 H 1 0.944 0.002 . 1 . . . . 45 VAL HG13 . 18765 1 446 . 1 1 45 45 VAL HG21 H 1 0.944 0.002 . 1 . . . . 45 VAL HG21 . 18765 1 447 . 1 1 45 45 VAL HG22 H 1 0.944 0.002 . 1 . . . . 45 VAL HG22 . 18765 1 448 . 1 1 45 45 VAL HG23 H 1 0.944 0.002 . 1 . . . . 45 VAL HG23 . 18765 1 449 . 1 1 45 45 VAL C C 13 174.344 0.006 . 1 . . . . 45 VAL C . 18765 1 450 . 1 1 45 45 VAL CA C 13 60.613 0.085 . 1 . . . . 45 VAL CA . 18765 1 451 . 1 1 45 45 VAL CB C 13 35.572 0.104 . 1 . . . . 45 VAL CB . 18765 1 452 . 1 1 45 45 VAL CG1 C 13 22.369 0.000 . 2 . . . . 45 VAL CG1 . 18765 1 453 . 1 1 45 45 VAL CG2 C 13 20.959 0.000 . 2 . . . . 45 VAL CG2 . 18765 1 454 . 1 1 45 45 VAL N N 15 119.342 0.026 . 1 . . . . 45 VAL N . 18765 1 455 . 1 1 46 46 GLN H H 1 8.732 0.004 . 1 . . . . 46 GLN H . 18765 1 456 . 1 1 46 46 GLN HA H 1 4.786 0.005 . 1 . . . . 46 GLN HA . 18765 1 457 . 1 1 46 46 GLN HB2 H 1 2.180 0.005 . 2 . . . . 46 GLN HB2 . 18765 1 458 . 1 1 46 46 GLN HB3 H 1 1.999 0.003 . 2 . . . . 46 GLN HB3 . 18765 1 459 . 1 1 46 46 GLN HG2 H 1 2.369 0.009 . 1 . . . . 46 GLN HG2 . 18765 1 460 . 1 1 46 46 GLN HG3 H 1 2.369 0.009 . 1 . . . . 46 GLN HG3 . 18765 1 461 . 1 1 46 46 GLN HE21 H 1 6.723 0.000 . 1 . . . . 46 GLN HE21 . 18765 1 462 . 1 1 46 46 GLN HE22 H 1 7.340 0.000 . 1 . . . . 46 GLN HE22 . 18765 1 463 . 1 1 46 46 GLN C C 13 174.712 0.034 . 1 . . . . 46 GLN C . 18765 1 464 . 1 1 46 46 GLN CA C 13 55.123 0.096 . 1 . . . . 46 GLN CA . 18765 1 465 . 1 1 46 46 GLN CB C 13 34.430 0.100 . 1 . . . . 46 GLN CB . 18765 1 466 . 1 1 46 46 GLN N N 15 120.999 0.064 . 1 . . . . 46 GLN N . 18765 1 467 . 1 1 46 46 GLN NE2 N 15 110.797 0.002 . 1 . . . . 46 GLN NE2 . 18765 1 468 . 1 1 47 47 VAL H H 1 9.090 0.002 . 1 . . . . 47 VAL H . 18765 1 469 . 1 1 47 47 VAL HA H 1 4.130 0.002 . 1 . . . . 47 VAL HA . 18765 1 470 . 1 1 47 47 VAL HB H 1 1.838 0.004 . 1 . . . . 47 VAL HB . 18765 1 471 . 1 1 47 47 VAL HG11 H 1 0.685 0.005 . 2 . . . . 47 VAL HG11 . 18765 1 472 . 1 1 47 47 VAL HG12 H 1 0.685 0.005 . 2 . . . . 47 VAL HG12 . 18765 1 473 . 1 1 47 47 VAL HG13 H 1 0.685 0.005 . 2 . . . . 47 VAL HG13 . 18765 1 474 . 1 1 47 47 VAL HG21 H 1 0.825 0.006 . 2 . . . . 47 VAL HG21 . 18765 1 475 . 1 1 47 47 VAL HG22 H 1 0.825 0.006 . 2 . . . . 47 VAL HG22 . 18765 1 476 . 1 1 47 47 VAL HG23 H 1 0.825 0.006 . 2 . . . . 47 VAL HG23 . 18765 1 477 . 1 1 47 47 VAL C C 13 175.797 0.007 . 1 . . . . 47 VAL C . 18765 1 478 . 1 1 47 47 VAL CA C 13 62.874 0.173 . 1 . . . . 47 VAL CA . 18765 1 479 . 1 1 47 47 VAL CB C 13 34.067 0.106 . 1 . . . . 47 VAL CB . 18765 1 480 . 1 1 47 47 VAL CG1 C 13 22.226 0.015 . 2 . . . . 47 VAL CG1 . 18765 1 481 . 1 1 47 47 VAL CG2 C 13 20.904 0.042 . 2 . . . . 47 VAL CG2 . 18765 1 482 . 1 1 47 47 VAL N N 15 124.375 0.012 . 1 . . . . 47 VAL N . 18765 1 483 . 1 1 48 48 LYS H H 1 8.307 0.003 . 1 . . . . 48 LYS H . 18765 1 484 . 1 1 48 48 LYS HA H 1 4.286 0.007 . 1 . . . . 48 LYS HA . 18765 1 485 . 1 1 48 48 LYS HB2 H 1 0.972 0.003 . 2 . . . . 48 LYS HB2 . 18765 1 486 . 1 1 48 48 LYS HB3 H 1 1.231 0.010 . 2 . . . . 48 LYS HB3 . 18765 1 487 . 1 1 48 48 LYS HG2 H 1 1.250 0.003 . 2 . . . . 48 LYS HG2 . 18765 1 488 . 1 1 48 48 LYS HG3 H 1 1.248 0.001 . 2 . . . . 48 LYS HG3 . 18765 1 489 . 1 1 48 48 LYS HD2 H 1 1.729 0.000 . 1 . . . . 48 LYS HD2 . 18765 1 490 . 1 1 48 48 LYS HD3 H 1 1.729 0.000 . 1 . . . . 48 LYS HD3 . 18765 1 491 . 1 1 48 48 LYS HE2 H 1 3.036 0.015 . 2 . . . . 48 LYS HE2 . 18765 1 492 . 1 1 48 48 LYS HE3 H 1 3.063 0.012 . 2 . . . . 48 LYS HE3 . 18765 1 493 . 1 1 48 48 LYS C C 13 175.038 0.019 . 1 . . . . 48 LYS C . 18765 1 494 . 1 1 48 48 LYS CA C 13 55.235 0.148 . 1 . . . . 48 LYS CA . 18765 1 495 . 1 1 48 48 LYS CB C 13 31.352 0.098 . 1 . . . . 48 LYS CB . 18765 1 496 . 1 1 48 48 LYS CG C 13 24.452 0.021 . 1 . . . . 48 LYS CG . 18765 1 497 . 1 1 48 48 LYS CD C 13 28.050 0.000 . 1 . . . . 48 LYS CD . 18765 1 498 . 1 1 48 48 LYS CE C 13 42.159 0.000 . 1 . . . . 48 LYS CE . 18765 1 499 . 1 1 48 48 LYS N N 15 127.730 0.081 . 1 . . . . 48 LYS N . 18765 1 500 . 1 1 49 49 LYS H H 1 8.417 0.003 . 1 . . . . 49 LYS H . 18765 1 501 . 1 1 49 49 LYS HA H 1 4.776 0.002 . 1 . . . . 49 LYS HA . 18765 1 502 . 1 1 49 49 LYS HB2 H 1 1.469 0.000 . 1 . . . . 49 LYS HB2 . 18765 1 503 . 1 1 49 49 LYS HB3 H 1 1.469 0.000 . 1 . . . . 49 LYS HB3 . 18765 1 504 . 1 1 49 49 LYS HG2 H 1 1.160 0.002 . 2 . . . . 49 LYS HG2 . 18765 1 505 . 1 1 49 49 LYS HG3 H 1 1.338 0.000 . 2 . . . . 49 LYS HG3 . 18765 1 506 . 1 1 49 49 LYS HD2 H 1 1.546 0.000 . 1 . . . . 49 LYS HD2 . 18765 1 507 . 1 1 49 49 LYS HD3 H 1 1.546 0.000 . 1 . . . . 49 LYS HD3 . 18765 1 508 . 1 1 49 49 LYS HE2 H 1 2.936 0.000 . 1 . . . . 49 LYS HE2 . 18765 1 509 . 1 1 49 49 LYS HE3 H 1 2.936 0.000 . 1 . . . . 49 LYS HE3 . 18765 1 510 . 1 1 49 49 LYS C C 13 176.011 0.019 . 1 . . . . 49 LYS C . 18765 1 511 . 1 1 49 49 LYS CA C 13 54.508 0.074 . 1 . . . . 49 LYS CA . 18765 1 512 . 1 1 49 49 LYS CB C 13 35.455 0.116 . 1 . . . . 49 LYS CB . 18765 1 513 . 1 1 49 49 LYS CG C 13 24.536 0.000 . 1 . . . . 49 LYS CG . 18765 1 514 . 1 1 49 49 LYS CD C 13 28.907 0.019 . 1 . . . . 49 LYS CD . 18765 1 515 . 1 1 49 49 LYS CE C 13 42.134 0.000 . 1 . . . . 49 LYS CE . 18765 1 516 . 1 1 49 49 LYS N N 15 122.799 0.024 . 1 . . . . 49 LYS N . 18765 1 517 . 1 1 50 50 ASP H H 1 8.666 0.004 . 1 . . . . 50 ASP H . 18765 1 518 . 1 1 50 50 ASP HA H 1 4.558 0.005 . 1 . . . . 50 ASP HA . 18765 1 519 . 1 1 50 50 ASP HB2 H 1 2.489 0.003 . 2 . . . . 50 ASP HB2 . 18765 1 520 . 1 1 50 50 ASP HB3 H 1 2.977 0.004 . 2 . . . . 50 ASP HB3 . 18765 1 521 . 1 1 50 50 ASP C C 13 177.426 0.026 . 1 . . . . 50 ASP C . 18765 1 522 . 1 1 50 50 ASP CA C 13 53.955 0.056 . 1 . . . . 50 ASP CA . 18765 1 523 . 1 1 50 50 ASP CB C 13 42.884 0.141 . 1 . . . . 50 ASP CB . 18765 1 524 . 1 1 50 50 ASP N N 15 122.047 0.101 . 1 . . . . 50 ASP N . 18765 1 525 . 1 1 51 51 LEU H H 1 8.783 0.005 . 1 . . . . 51 LEU H . 18765 1 526 . 1 1 51 51 LEU HA H 1 4.076 0.006 . 1 . . . . 51 LEU HA . 18765 1 527 . 1 1 51 51 LEU HB2 H 1 1.617 0.000 . 2 . . . . 51 LEU HB2 . 18765 1 528 . 1 1 51 51 LEU HB3 H 1 1.768 0.010 . 2 . . . . 51 LEU HB3 . 18765 1 529 . 1 1 51 51 LEU HG H 1 1.756 0.001 . 1 . . . . 51 LEU HG . 18765 1 530 . 1 1 51 51 LEU HD11 H 1 0.901 0.001 . 2 . . . . 51 LEU HD11 . 18765 1 531 . 1 1 51 51 LEU HD12 H 1 0.901 0.001 . 2 . . . . 51 LEU HD12 . 18765 1 532 . 1 1 51 51 LEU HD13 H 1 0.901 0.001 . 2 . . . . 51 LEU HD13 . 18765 1 533 . 1 1 51 51 LEU HD21 H 1 0.971 0.003 . 2 . . . . 51 LEU HD21 . 18765 1 534 . 1 1 51 51 LEU HD22 H 1 0.971 0.003 . 2 . . . . 51 LEU HD22 . 18765 1 535 . 1 1 51 51 LEU HD23 H 1 0.971 0.003 . 2 . . . . 51 LEU HD23 . 18765 1 536 . 1 1 51 51 LEU C C 13 178.369 0.007 . 1 . . . . 51 LEU C . 18765 1 537 . 1 1 51 51 LEU CA C 13 57.289 0.128 . 1 . . . . 51 LEU CA . 18765 1 538 . 1 1 51 51 LEU CB C 13 41.834 0.082 . 1 . . . . 51 LEU CB . 18765 1 539 . 1 1 51 51 LEU CG C 13 27.272 0.003 . 1 . . . . 51 LEU CG . 18765 1 540 . 1 1 51 51 LEU CD1 C 13 23.364 0.045 . 2 . . . . 51 LEU CD1 . 18765 1 541 . 1 1 51 51 LEU CD2 C 13 24.704 0.074 . 2 . . . . 51 LEU CD2 . 18765 1 542 . 1 1 51 51 LEU N N 15 128.052 0.025 . 1 . . . . 51 LEU N . 18765 1 543 . 1 1 52 52 LYS H H 1 8.471 0.003 . 1 . . . . 52 LYS H . 18765 1 544 . 1 1 52 52 LYS HA H 1 4.250 0.005 . 1 . . . . 52 LYS HA . 18765 1 545 . 1 1 52 52 LYS HB2 H 1 1.917 0.014 . 2 . . . . 52 LYS HB2 . 18765 1 546 . 1 1 52 52 LYS HB3 H 1 1.939 0.014 . 2 . . . . 52 LYS HB3 . 18765 1 547 . 1 1 52 52 LYS HG2 H 1 1.490 0.002 . 2 . . . . 52 LYS HG2 . 18765 1 548 . 1 1 52 52 LYS HG3 H 1 1.369 0.006 . 2 . . . . 52 LYS HG3 . 18765 1 549 . 1 1 52 52 LYS HD2 H 1 1.694 0.000 . 1 . . . . 52 LYS HD2 . 18765 1 550 . 1 1 52 52 LYS HD3 H 1 1.694 0.000 . 1 . . . . 52 LYS HD3 . 18765 1 551 . 1 1 52 52 LYS HE2 H 1 2.994 0.001 . 1 . . . . 52 LYS HE2 . 18765 1 552 . 1 1 52 52 LYS HE3 H 1 2.994 0.001 . 1 . . . . 52 LYS HE3 . 18765 1 553 . 1 1 52 52 LYS C C 13 178.461 0.000 . 1 . . . . 52 LYS C . 18765 1 554 . 1 1 52 52 LYS CA C 13 58.338 0.040 . 1 . . . . 52 LYS CA . 18765 1 555 . 1 1 52 52 LYS CB C 13 32.704 0.068 . 1 . . . . 52 LYS CB . 18765 1 556 . 1 1 52 52 LYS CG C 13 25.099 0.019 . 1 . . . . 52 LYS CG . 18765 1 557 . 1 1 52 52 LYS CD C 13 28.843 0.024 . 1 . . . . 52 LYS CD . 18765 1 558 . 1 1 52 52 LYS CE C 13 42.265 0.000 . 1 . . . . 52 LYS CE . 18765 1 559 . 1 1 52 52 LYS N N 15 117.778 0.034 . 1 . . . . 52 LYS N . 18765 1 560 . 1 1 53 53 THR H H 1 8.025 0.003 . 1 . . . . 53 THR H . 18765 1 561 . 1 1 53 53 THR HA H 1 4.268 0.004 . 1 . . . . 53 THR HA . 18765 1 562 . 1 1 53 53 THR HB H 1 3.861 0.004 . 1 . . . . 53 THR HB . 18765 1 563 . 1 1 53 53 THR HG21 H 1 1.128 0.002 . 1 . . . . 53 THR HG21 . 18765 1 564 . 1 1 53 53 THR HG22 H 1 1.128 0.002 . 1 . . . . 53 THR HG22 . 18765 1 565 . 1 1 53 53 THR HG23 H 1 1.128 0.002 . 1 . . . . 53 THR HG23 . 18765 1 566 . 1 1 53 53 THR C C 13 176.390 0.008 . 1 . . . . 53 THR C . 18765 1 567 . 1 1 53 53 THR CA C 13 61.766 0.114 . 1 . . . . 53 THR CA . 18765 1 568 . 1 1 53 53 THR CB C 13 70.624 0.062 . 1 . . . . 53 THR CB . 18765 1 569 . 1 1 53 53 THR CG2 C 13 21.147 0.026 . 1 . . . . 53 THR CG2 . 18765 1 570 . 1 1 53 53 THR N N 15 107.059 0.016 . 1 . . . . 53 THR N . 18765 1 571 . 1 1 54 54 GLY H H 1 8.198 0.003 . 1 . . . . 54 GLY H . 18765 1 572 . 1 1 54 54 GLY HA2 H 1 3.740 0.000 . 2 . . . . 54 GLY HA2 . 18765 1 573 . 1 1 54 54 GLY HA3 H 1 4.149 0.000 . 2 . . . . 54 GLY HA3 . 18765 1 574 . 1 1 54 54 GLY C C 13 173.778 0.000 . 1 . . . . 54 GLY C . 18765 1 575 . 1 1 54 54 GLY CA C 13 45.673 0.114 . 1 . . . . 54 GLY CA . 18765 1 576 . 1 1 54 54 GLY N N 15 110.314 0.024 . 1 . . . . 54 GLY N . 18765 1 577 . 1 1 55 55 HIS H H 1 7.870 0.003 . 1 . . . . 55 HIS H . 18765 1 578 . 1 1 55 55 HIS HA H 1 4.647 0.005 . 1 . . . . 55 HIS HA . 18765 1 579 . 1 1 55 55 HIS HB2 H 1 3.066 0.009 . 2 . . . . 55 HIS HB2 . 18765 1 580 . 1 1 55 55 HIS HB3 H 1 2.935 0.001 . 2 . . . . 55 HIS HB3 . 18765 1 581 . 1 1 55 55 HIS HD2 H 1 6.943 0.000 . 1 . . . . 55 HIS HD2 . 18765 1 582 . 1 1 55 55 HIS C C 13 175.416 0.000 . 1 . . . . 55 HIS C . 18765 1 583 . 1 1 55 55 HIS CA C 13 55.281 0.080 . 1 . . . . 55 HIS CA . 18765 1 584 . 1 1 55 55 HIS CB C 13 31.054 0.049 . 1 . . . . 55 HIS CB . 18765 1 585 . 1 1 55 55 HIS CD2 C 13 119.757 0.000 . 1 . . . . 55 HIS CD2 . 18765 1 586 . 1 1 55 55 HIS N N 15 118.650 0.011 . 1 . . . . 55 HIS N . 18765 1 587 . 1 1 56 56 SER C C 13 176.159 0.011 . 1 . . . . 56 SER C . 18765 1 588 . 1 1 56 56 SER CA C 13 58.489 0.149 . 1 . . . . 56 SER CA . 18765 1 589 . 1 1 56 56 SER CB C 13 64.245 0.169 . 1 . . . . 56 SER CB . 18765 1 590 . 1 1 57 57 LYS H H 1 8.981 0.002 . 1 . . . . 57 LYS H . 18765 1 591 . 1 1 57 57 LYS HA H 1 4.483 0.002 . 1 . . . . 57 LYS HA . 18765 1 592 . 1 1 57 57 LYS HB2 H 1 1.922 0.000 . 2 . . . . 57 LYS HB2 . 18765 1 593 . 1 1 57 57 LYS HB3 H 1 2.117 0.003 . 2 . . . . 57 LYS HB3 . 18765 1 594 . 1 1 57 57 LYS HG2 H 1 1.373 0.002 . 1 . . . . 57 LYS HG2 . 18765 1 595 . 1 1 57 57 LYS HG3 H 1 1.372 0.003 . 1 . . . . 57 LYS HG3 . 18765 1 596 . 1 1 57 57 LYS HD2 H 1 1.683 0.002 . 1 . . . . 57 LYS HD2 . 18765 1 597 . 1 1 57 57 LYS HD3 H 1 1.683 0.002 . 1 . . . . 57 LYS HD3 . 18765 1 598 . 1 1 57 57 LYS HE2 H 1 3.006 0.000 . 1 . . . . 57 LYS HE2 . 18765 1 599 . 1 1 57 57 LYS HE3 H 1 3.006 0.000 . 1 . . . . 57 LYS HE3 . 18765 1 600 . 1 1 57 57 LYS C C 13 177.669 0.007 . 1 . . . . 57 LYS C . 18765 1 601 . 1 1 57 57 LYS CA C 13 56.074 0.085 . 1 . . . . 57 LYS CA . 18765 1 602 . 1 1 57 57 LYS CB C 13 32.815 0.085 . 1 . . . . 57 LYS CB . 18765 1 603 . 1 1 57 57 LYS CG C 13 25.505 0.000 . 1 . . . . 57 LYS CG . 18765 1 604 . 1 1 57 57 LYS CD C 13 28.911 0.023 . 1 . . . . 57 LYS CD . 18765 1 605 . 1 1 57 57 LYS CE C 13 42.019 0.000 . 1 . . . . 57 LYS CE . 18765 1 606 . 1 1 57 57 LYS N N 15 123.609 0.014 . 1 . . . . 57 LYS N . 18765 1 607 . 1 1 58 58 GLY H H 1 9.294 0.002 . 1 . . . . 58 GLY H . 18765 1 608 . 1 1 58 58 GLY HA2 H 1 4.186 0.007 . 2 . . . . 58 GLY HA2 . 18765 1 609 . 1 1 58 58 GLY HA3 H 1 3.619 0.003 . 2 . . . . 58 GLY HA3 . 18765 1 610 . 1 1 58 58 GLY C C 13 172.241 0.000 . 1 . . . . 58 GLY C . 18765 1 611 . 1 1 58 58 GLY CA C 13 45.722 0.169 . 1 . . . . 58 GLY CA . 18765 1 612 . 1 1 58 58 GLY N N 15 107.858 0.024 . 1 . . . . 58 GLY N . 18765 1 613 . 1 1 59 59 PHE H H 1 7.287 0.008 . 1 . . . . 59 PHE H . 18765 1 614 . 1 1 59 59 PHE HA H 1 5.404 0.003 . 1 . . . . 59 PHE HA . 18765 1 615 . 1 1 59 59 PHE HB2 H 1 3.297 0.004 . 2 . . . . 59 PHE HB2 . 18765 1 616 . 1 1 59 59 PHE HB3 H 1 3.182 0.002 . 2 . . . . 59 PHE HB3 . 18765 1 617 . 1 1 59 59 PHE HD1 H 1 6.862 0.001 . 3 . . . . 59 PHE HD1 . 18765 1 618 . 1 1 59 59 PHE HD2 H 1 6.862 0.001 . 3 . . . . 59 PHE HD2 . 18765 1 619 . 1 1 59 59 PHE HE1 H 1 7.341 0.003 . 3 . . . . 59 PHE HE1 . 18765 1 620 . 1 1 59 59 PHE HE2 H 1 7.341 0.003 . 3 . . . . 59 PHE HE2 . 18765 1 621 . 1 1 59 59 PHE C C 13 172.768 0.027 . 1 . . . . 59 PHE C . 18765 1 622 . 1 1 59 59 PHE CA C 13 55.289 0.109 . 1 . . . . 59 PHE CA . 18765 1 623 . 1 1 59 59 PHE CB C 13 41.629 0.095 . 1 . . . . 59 PHE CB . 18765 1 624 . 1 1 59 59 PHE CD1 C 13 132.477 0.011 . 3 . . . . 59 PHE CD1 . 18765 1 625 . 1 1 59 59 PHE CD2 C 13 132.477 0.011 . 3 . . . . 59 PHE CD2 . 18765 1 626 . 1 1 59 59 PHE CE1 C 13 131.377 0.023 . 3 . . . . 59 PHE CE1 . 18765 1 627 . 1 1 59 59 PHE CE2 C 13 131.377 0.023 . 3 . . . . 59 PHE CE2 . 18765 1 628 . 1 1 59 59 PHE N N 15 112.453 0.095 . 1 . . . . 59 PHE N . 18765 1 629 . 1 1 60 60 GLY H H 1 8.600 0.004 . 1 . . . . 60 GLY H . 18765 1 630 . 1 1 60 60 GLY HA2 H 1 4.266 0.004 . 2 . . . . 60 GLY HA2 . 18765 1 631 . 1 1 60 60 GLY HA3 H 1 3.914 0.004 . 2 . . . . 60 GLY HA3 . 18765 1 632 . 1 1 60 60 GLY C C 13 170.296 0.000 . 1 . . . . 60 GLY C . 18765 1 633 . 1 1 60 60 GLY CA C 13 44.796 0.091 . 1 . . . . 60 GLY CA . 18765 1 634 . 1 1 60 60 GLY N N 15 107.070 0.024 . 1 . . . . 60 GLY N . 18765 1 635 . 1 1 61 61 PHE H H 1 9.157 0.004 . 1 . . . . 61 PHE H . 18765 1 636 . 1 1 61 61 PHE HA H 1 6.110 0.004 . 1 . . . . 61 PHE HA . 18765 1 637 . 1 1 61 61 PHE HB2 H 1 2.849 0.002 . 2 . . . . 61 PHE HB2 . 18765 1 638 . 1 1 61 61 PHE HB3 H 1 2.528 0.005 . 2 . . . . 61 PHE HB3 . 18765 1 639 . 1 1 61 61 PHE HD1 H 1 7.007 0.006 . 3 . . . . 61 PHE HD1 . 18765 1 640 . 1 1 61 61 PHE HD2 H 1 7.007 0.006 . 3 . . . . 61 PHE HD2 . 18765 1 641 . 1 1 61 61 PHE HE1 H 1 7.251 0.002 . 3 . . . . 61 PHE HE1 . 18765 1 642 . 1 1 61 61 PHE HE2 H 1 7.251 0.002 . 3 . . . . 61 PHE HE2 . 18765 1 643 . 1 1 61 61 PHE C C 13 174.144 0.000 . 1 . . . . 61 PHE C . 18765 1 644 . 1 1 61 61 PHE CA C 13 55.952 0.060 . 1 . . . . 61 PHE CA . 18765 1 645 . 1 1 61 61 PHE CB C 13 44.960 0.124 . 1 . . . . 61 PHE CB . 18765 1 646 . 1 1 61 61 PHE CD1 C 13 131.779 0.002 . 3 . . . . 61 PHE CD1 . 18765 1 647 . 1 1 61 61 PHE CD2 C 13 131.779 0.002 . 3 . . . . 61 PHE CD2 . 18765 1 648 . 1 1 61 61 PHE CE1 C 13 130.940 0.000 . 3 . . . . 61 PHE CE1 . 18765 1 649 . 1 1 61 61 PHE CE2 C 13 130.940 0.000 . 3 . . . . 61 PHE CE2 . 18765 1 650 . 1 1 61 61 PHE N N 15 116.551 0.024 . 1 . . . . 61 PHE N . 18765 1 651 . 1 1 62 62 VAL H H 1 8.815 0.004 . 1 . . . . 62 VAL H . 18765 1 652 . 1 1 62 62 VAL HA H 1 4.948 0.003 . 1 . . . . 62 VAL HA . 18765 1 653 . 1 1 62 62 VAL HB H 1 1.431 0.004 . 1 . . . . 62 VAL HB . 18765 1 654 . 1 1 62 62 VAL HG11 H 1 0.052 0.001 . 2 . . . . 62 VAL HG11 . 18765 1 655 . 1 1 62 62 VAL HG12 H 1 0.052 0.001 . 2 . . . . 62 VAL HG12 . 18765 1 656 . 1 1 62 62 VAL HG13 H 1 0.052 0.001 . 2 . . . . 62 VAL HG13 . 18765 1 657 . 1 1 62 62 VAL HG21 H 1 0.071 0.002 . 2 . . . . 62 VAL HG21 . 18765 1 658 . 1 1 62 62 VAL HG22 H 1 0.071 0.002 . 2 . . . . 62 VAL HG22 . 18765 1 659 . 1 1 62 62 VAL HG23 H 1 0.071 0.002 . 2 . . . . 62 VAL HG23 . 18765 1 660 . 1 1 62 62 VAL C C 13 171.260 0.000 . 1 . . . . 62 VAL C . 18765 1 661 . 1 1 62 62 VAL CA C 13 59.230 0.063 . 1 . . . . 62 VAL CA . 18765 1 662 . 1 1 62 62 VAL CB C 13 35.236 0.072 . 1 . . . . 62 VAL CB . 18765 1 663 . 1 1 62 62 VAL CG1 C 13 21.232 0.043 . 2 . . . . 62 VAL CG1 . 18765 1 664 . 1 1 62 62 VAL CG2 C 13 18.961 0.063 . 2 . . . . 62 VAL CG2 . 18765 1 665 . 1 1 62 62 VAL N N 15 116.821 0.034 . 1 . . . . 62 VAL N . 18765 1 666 . 1 1 63 63 ARG H H 1 8.234 0.005 . 1 . . . . 63 ARG H . 18765 1 667 . 1 1 63 63 ARG HA H 1 4.640 0.004 . 1 . . . . 63 ARG HA . 18765 1 668 . 1 1 63 63 ARG HB2 H 1 2.025 0.001 . 1 . . . . 63 ARG HB2 . 18765 1 669 . 1 1 63 63 ARG HB3 H 1 2.025 0.001 . 1 . . . . 63 ARG HB3 . 18765 1 670 . 1 1 63 63 ARG HG2 H 1 1.528 0.002 . 1 . . . . 63 ARG HG2 . 18765 1 671 . 1 1 63 63 ARG HG3 H 1 1.528 0.002 . 1 . . . . 63 ARG HG3 . 18765 1 672 . 1 1 63 63 ARG HD2 H 1 3.095 0.002 . 1 . . . . 63 ARG HD2 . 18765 1 673 . 1 1 63 63 ARG HD3 H 1 3.095 0.002 . 1 . . . . 63 ARG HD3 . 18765 1 674 . 1 1 63 63 ARG C C 13 174.739 0.000 . 1 . . . . 63 ARG C . 18765 1 675 . 1 1 63 63 ARG CA C 13 54.355 0.033 . 1 . . . . 63 ARG CA . 18765 1 676 . 1 1 63 63 ARG CB C 13 34.339 0.106 . 1 . . . . 63 ARG CB . 18765 1 677 . 1 1 63 63 ARG CG C 13 27.922 0.032 . 1 . . . . 63 ARG CG . 18765 1 678 . 1 1 63 63 ARG CD C 13 43.253 0.000 . 1 . . . . 63 ARG CD . 18765 1 679 . 1 1 63 63 ARG N N 15 125.207 0.025 . 1 . . . . 63 ARG N . 18765 1 680 . 1 1 64 64 PHE H H 1 9.133 0.003 . 1 . . . . 64 PHE H . 18765 1 681 . 1 1 64 64 PHE HA H 1 4.877 0.008 . 1 . . . . 64 PHE HA . 18765 1 682 . 1 1 64 64 PHE HB2 H 1 3.734 0.000 . 2 . . . . 64 PHE HB2 . 18765 1 683 . 1 1 64 64 PHE HB3 H 1 2.532 0.003 . 2 . . . . 64 PHE HB3 . 18765 1 684 . 1 1 64 64 PHE HD1 H 1 7.259 0.002 . 3 . . . . 64 PHE HD1 . 18765 1 685 . 1 1 64 64 PHE HD2 H 1 7.259 0.002 . 3 . . . . 64 PHE HD2 . 18765 1 686 . 1 1 64 64 PHE HE1 H 1 6.995 0.000 . 3 . . . . 64 PHE HE1 . 18765 1 687 . 1 1 64 64 PHE HE2 H 1 6.995 0.000 . 3 . . . . 64 PHE HE2 . 18765 1 688 . 1 1 64 64 PHE C C 13 174.856 0.029 . 1 . . . . 64 PHE C . 18765 1 689 . 1 1 64 64 PHE CA C 13 58.676 0.114 . 1 . . . . 64 PHE CA . 18765 1 690 . 1 1 64 64 PHE CB C 13 41.196 0.100 . 1 . . . . 64 PHE CB . 18765 1 691 . 1 1 64 64 PHE CD1 C 13 132.126 0.014 . 3 . . . . 64 PHE CD1 . 18765 1 692 . 1 1 64 64 PHE CD2 C 13 132.126 0.014 . 3 . . . . 64 PHE CD2 . 18765 1 693 . 1 1 64 64 PHE CE1 C 13 131.800 0.000 . 3 . . . . 64 PHE CE1 . 18765 1 694 . 1 1 64 64 PHE CE2 C 13 131.800 0.000 . 3 . . . . 64 PHE CE2 . 18765 1 695 . 1 1 64 64 PHE N N 15 127.030 0.023 . 1 . . . . 64 PHE N . 18765 1 696 . 1 1 65 65 THR H H 1 8.063 0.002 . 1 . . . . 65 THR H . 18765 1 697 . 1 1 65 65 THR HA H 1 4.051 0.001 . 1 . . . . 65 THR HA . 18765 1 698 . 1 1 65 65 THR HB H 1 4.210 0.006 . 1 . . . . 65 THR HB . 18765 1 699 . 1 1 65 65 THR HG21 H 1 1.198 0.001 . 1 . . . . 65 THR HG21 . 18765 1 700 . 1 1 65 65 THR HG22 H 1 1.198 0.001 . 1 . . . . 65 THR HG22 . 18765 1 701 . 1 1 65 65 THR HG23 H 1 1.198 0.001 . 1 . . . . 65 THR HG23 . 18765 1 702 . 1 1 65 65 THR C C 13 175.714 0.062 . 1 . . . . 65 THR C . 18765 1 703 . 1 1 65 65 THR CA C 13 65.408 0.097 . 1 . . . . 65 THR CA . 18765 1 704 . 1 1 65 65 THR CB C 13 68.559 0.147 . 1 . . . . 65 THR CB . 18765 1 705 . 1 1 65 65 THR CG2 C 13 23.351 0.026 . 1 . . . . 65 THR CG2 . 18765 1 706 . 1 1 65 65 THR N N 15 113.570 0.040 . 1 . . . . 65 THR N . 18765 1 707 . 1 1 66 66 GLU H H 1 8.500 0.003 . 1 . . . . 66 GLU H . 18765 1 708 . 1 1 66 66 GLU HA H 1 4.849 0.001 . 1 . . . . 66 GLU HA . 18765 1 709 . 1 1 66 66 GLU HB2 H 1 2.275 0.001 . 2 . . . . 66 GLU HB2 . 18765 1 710 . 1 1 66 66 GLU HB3 H 1 2.084 0.005 . 2 . . . . 66 GLU HB3 . 18765 1 711 . 1 1 66 66 GLU HG2 H 1 2.444 0.002 . 2 . . . . 66 GLU HG2 . 18765 1 712 . 1 1 66 66 GLU HG3 H 1 2.205 0.000 . 2 . . . . 66 GLU HG3 . 18765 1 713 . 1 1 66 66 GLU C C 13 176.806 0.013 . 1 . . . . 66 GLU C . 18765 1 714 . 1 1 66 66 GLU CA C 13 54.723 0.047 . 1 . . . . 66 GLU CA . 18765 1 715 . 1 1 66 66 GLU CB C 13 31.504 0.067 . 1 . . . . 66 GLU CB . 18765 1 716 . 1 1 66 66 GLU CG C 13 35.972 0.000 . 1 . . . . 66 GLU CG . 18765 1 717 . 1 1 66 66 GLU N N 15 118.518 0.016 . 1 . . . . 66 GLU N . 18765 1 718 . 1 1 67 67 TYR H H 1 9.229 0.004 . 1 . . . . 67 TYR H . 18765 1 719 . 1 1 67 67 TYR HA H 1 3.832 0.002 . 1 . . . . 67 TYR HA . 18765 1 720 . 1 1 67 67 TYR HB2 H 1 2.853 0.002 . 2 . . . . 67 TYR HB2 . 18765 1 721 . 1 1 67 67 TYR HB3 H 1 3.054 0.003 . 2 . . . . 67 TYR HB3 . 18765 1 722 . 1 1 67 67 TYR HD1 H 1 6.817 0.004 . 3 . . . . 67 TYR HD1 . 18765 1 723 . 1 1 67 67 TYR HD2 H 1 6.817 0.004 . 3 . . . . 67 TYR HD2 . 18765 1 724 . 1 1 67 67 TYR HE1 H 1 6.680 0.002 . 3 . . . . 67 TYR HE1 . 18765 1 725 . 1 1 67 67 TYR HE2 H 1 6.680 0.002 . 3 . . . . 67 TYR HE2 . 18765 1 726 . 1 1 67 67 TYR C C 13 176.633 0.009 . 1 . . . . 67 TYR C . 18765 1 727 . 1 1 67 67 TYR CA C 13 62.318 0.113 . 1 . . . . 67 TYR CA . 18765 1 728 . 1 1 67 67 TYR CB C 13 38.624 0.075 . 1 . . . . 67 TYR CB . 18765 1 729 . 1 1 67 67 TYR CD1 C 13 132.750 0.029 . 3 . . . . 67 TYR CD1 . 18765 1 730 . 1 1 67 67 TYR CD2 C 13 132.750 0.029 . 3 . . . . 67 TYR CD2 . 18765 1 731 . 1 1 67 67 TYR CE1 C 13 118.535 0.024 . 3 . . . . 67 TYR CE1 . 18765 1 732 . 1 1 67 67 TYR CE2 C 13 118.535 0.024 . 3 . . . . 67 TYR CE2 . 18765 1 733 . 1 1 67 67 TYR N N 15 127.384 0.009 . 1 . . . . 67 TYR N . 18765 1 734 . 1 1 68 68 GLU H H 1 9.388 0.003 . 1 . . . . 68 GLU H . 18765 1 735 . 1 1 68 68 GLU HA H 1 3.813 0.012 . 1 . . . . 68 GLU HA . 18765 1 736 . 1 1 68 68 GLU HB2 H 1 1.987 0.009 . 1 . . . . 68 GLU HB2 . 18765 1 737 . 1 1 68 68 GLU HB3 H 1 1.987 0.009 . 1 . . . . 68 GLU HB3 . 18765 1 738 . 1 1 68 68 GLU HG2 H 1 2.382 0.000 . 1 . . . . 68 GLU HG2 . 18765 1 739 . 1 1 68 68 GLU HG3 H 1 2.382 0.000 . 1 . . . . 68 GLU HG3 . 18765 1 740 . 1 1 68 68 GLU C C 13 178.989 0.010 . 1 . . . . 68 GLU C . 18765 1 741 . 1 1 68 68 GLU CA C 13 60.019 0.034 . 1 . . . . 68 GLU CA . 18765 1 742 . 1 1 68 68 GLU CB C 13 28.997 0.083 . 1 . . . . 68 GLU CB . 18765 1 743 . 1 1 68 68 GLU CG C 13 36.909 0.043 . 1 . . . . 68 GLU CG . 18765 1 744 . 1 1 68 68 GLU N N 15 116.676 0.020 . 1 . . . . 68 GLU N . 18765 1 745 . 1 1 69 69 THR H H 1 6.990 0.003 . 1 . . . . 69 THR H . 18765 1 746 . 1 1 69 69 THR HA H 1 3.983 0.004 . 1 . . . . 69 THR HA . 18765 1 747 . 1 1 69 69 THR HB H 1 3.679 0.001 . 1 . . . . 69 THR HB . 18765 1 748 . 1 1 69 69 THR HG21 H 1 0.401 0.002 . 1 . . . . 69 THR HG21 . 18765 1 749 . 1 1 69 69 THR HG22 H 1 0.401 0.002 . 1 . . . . 69 THR HG22 . 18765 1 750 . 1 1 69 69 THR HG23 H 1 0.401 0.002 . 1 . . . . 69 THR HG23 . 18765 1 751 . 1 1 69 69 THR C C 13 174.630 0.015 . 1 . . . . 69 THR C . 18765 1 752 . 1 1 69 69 THR CA C 13 65.579 0.079 . 1 . . . . 69 THR CA . 18765 1 753 . 1 1 69 69 THR CB C 13 67.848 0.177 . 1 . . . . 69 THR CB . 18765 1 754 . 1 1 69 69 THR CG2 C 13 24.446 0.014 . 1 . . . . 69 THR CG2 . 18765 1 755 . 1 1 69 69 THR N N 15 115.370 0.020 . 1 . . . . 69 THR N . 18765 1 756 . 1 1 70 70 GLN H H 1 7.142 0.004 . 1 . . . . 70 GLN H . 18765 1 757 . 1 1 70 70 GLN HA H 1 3.423 0.007 . 1 . . . . 70 GLN HA . 18765 1 758 . 1 1 70 70 GLN HB2 H 1 2.120 0.001 . 1 . . . . 70 GLN HB2 . 18765 1 759 . 1 1 70 70 GLN HB3 H 1 2.120 0.001 . 1 . . . . 70 GLN HB3 . 18765 1 760 . 1 1 70 70 GLN HG2 H 1 2.327 0.005 . 1 . . . . 70 GLN HG2 . 18765 1 761 . 1 1 70 70 GLN HG3 H 1 2.327 0.005 . 1 . . . . 70 GLN HG3 . 18765 1 762 . 1 1 70 70 GLN HE21 H 1 7.264 0.000 . 1 . . . . 70 GLN HE21 . 18765 1 763 . 1 1 70 70 GLN HE22 H 1 7.777 0.004 . 1 . . . . 70 GLN HE22 . 18765 1 764 . 1 1 70 70 GLN C C 13 176.728 0.017 . 1 . . . . 70 GLN C . 18765 1 765 . 1 1 70 70 GLN CA C 13 59.780 0.042 . 1 . . . . 70 GLN CA . 18765 1 766 . 1 1 70 70 GLN CB C 13 29.190 0.127 . 1 . . . . 70 GLN CB . 18765 1 767 . 1 1 70 70 GLN CG C 13 34.030 0.066 . 1 . . . . 70 GLN CG . 18765 1 768 . 1 1 70 70 GLN N N 15 121.534 0.038 . 1 . . . . 70 GLN N . 18765 1 769 . 1 1 70 70 GLN NE2 N 15 112.509 0.035 . 1 . . . . 70 GLN NE2 . 18765 1 770 . 1 1 71 71 VAL H H 1 7.846 0.003 . 1 . . . . 71 VAL H . 18765 1 771 . 1 1 71 71 VAL HA H 1 3.429 0.005 . 1 . . . . 71 VAL HA . 18765 1 772 . 1 1 71 71 VAL HB H 1 1.812 0.012 . 1 . . . . 71 VAL HB . 18765 1 773 . 1 1 71 71 VAL HG11 H 1 0.542 0.002 . 2 . . . . 71 VAL HG11 . 18765 1 774 . 1 1 71 71 VAL HG12 H 1 0.542 0.002 . 2 . . . . 71 VAL HG12 . 18765 1 775 . 1 1 71 71 VAL HG13 H 1 0.542 0.002 . 2 . . . . 71 VAL HG13 . 18765 1 776 . 1 1 71 71 VAL HG21 H 1 0.793 0.002 . 2 . . . . 71 VAL HG21 . 18765 1 777 . 1 1 71 71 VAL HG22 H 1 0.793 0.002 . 2 . . . . 71 VAL HG22 . 18765 1 778 . 1 1 71 71 VAL HG23 H 1 0.793 0.002 . 2 . . . . 71 VAL HG23 . 18765 1 779 . 1 1 71 71 VAL C C 13 179.053 0.018 . 1 . . . . 71 VAL C . 18765 1 780 . 1 1 71 71 VAL CA C 13 66.337 0.139 . 1 . . . . 71 VAL CA . 18765 1 781 . 1 1 71 71 VAL CB C 13 31.626 0.119 . 1 . . . . 71 VAL CB . 18765 1 782 . 1 1 71 71 VAL CG1 C 13 22.547 0.080 . 2 . . . . 71 VAL CG1 . 18765 1 783 . 1 1 71 71 VAL CG2 C 13 20.760 0.000 . 2 . . . . 71 VAL CG2 . 18765 1 784 . 1 1 71 71 VAL N N 15 117.119 0.022 . 1 . . . . 71 VAL N . 18765 1 785 . 1 1 72 72 LYS H H 1 7.422 0.003 . 1 . . . . 72 LYS H . 18765 1 786 . 1 1 72 72 LYS HA H 1 4.026 0.006 . 1 . . . . 72 LYS HA . 18765 1 787 . 1 1 72 72 LYS HB2 H 1 1.970 0.002 . 1 . . . . 72 LYS HB2 . 18765 1 788 . 1 1 72 72 LYS HB3 H 1 1.970 0.002 . 1 . . . . 72 LYS HB3 . 18765 1 789 . 1 1 72 72 LYS HG2 H 1 1.547 0.001 . 1 . . . . 72 LYS HG2 . 18765 1 790 . 1 1 72 72 LYS HG3 H 1 1.547 0.001 . 1 . . . . 72 LYS HG3 . 18765 1 791 . 1 1 72 72 LYS HD2 H 1 1.822 0.002 . 1 . . . . 72 LYS HD2 . 18765 1 792 . 1 1 72 72 LYS HD3 H 1 1.822 0.002 . 1 . . . . 72 LYS HD3 . 18765 1 793 . 1 1 72 72 LYS HE2 H 1 3.039 0.010 . 1 . . . . 72 LYS HE2 . 18765 1 794 . 1 1 72 72 LYS HE3 H 1 3.039 0.010 . 1 . . . . 72 LYS HE3 . 18765 1 795 . 1 1 72 72 LYS C C 13 180.252 0.025 . 1 . . . . 72 LYS C . 18765 1 796 . 1 1 72 72 LYS CA C 13 59.506 0.092 . 1 . . . . 72 LYS CA . 18765 1 797 . 1 1 72 72 LYS CB C 13 32.155 0.091 . 1 . . . . 72 LYS CB . 18765 1 798 . 1 1 72 72 LYS CG C 13 24.975 0.043 . 1 . . . . 72 LYS CG . 18765 1 799 . 1 1 72 72 LYS CD C 13 29.303 0.000 . 1 . . . . 72 LYS CD . 18765 1 800 . 1 1 72 72 LYS CE C 13 42.231 0.022 . 1 . . . . 72 LYS CE . 18765 1 801 . 1 1 72 72 LYS N N 15 121.102 0.014 . 1 . . . . 72 LYS N . 18765 1 802 . 1 1 73 73 VAL H H 1 8.140 0.005 . 1 . . . . 73 VAL H . 18765 1 803 . 1 1 73 73 VAL HA H 1 3.274 0.006 . 1 . . . . 73 VAL HA . 18765 1 804 . 1 1 73 73 VAL HB H 1 1.696 0.004 . 1 . . . . 73 VAL HB . 18765 1 805 . 1 1 73 73 VAL HG11 H 1 0.219 0.001 . 2 . . . . 73 VAL HG11 . 18765 1 806 . 1 1 73 73 VAL HG12 H 1 0.219 0.001 . 2 . . . . 73 VAL HG12 . 18765 1 807 . 1 1 73 73 VAL HG13 H 1 0.219 0.001 . 2 . . . . 73 VAL HG13 . 18765 1 808 . 1 1 73 73 VAL HG21 H 1 0.630 0.007 . 2 . . . . 73 VAL HG21 . 18765 1 809 . 1 1 73 73 VAL HG22 H 1 0.630 0.007 . 2 . . . . 73 VAL HG22 . 18765 1 810 . 1 1 73 73 VAL HG23 H 1 0.630 0.007 . 2 . . . . 73 VAL HG23 . 18765 1 811 . 1 1 73 73 VAL C C 13 178.461 0.011 . 1 . . . . 73 VAL C . 18765 1 812 . 1 1 73 73 VAL CA C 13 66.702 0.143 . 1 . . . . 73 VAL CA . 18765 1 813 . 1 1 73 73 VAL CB C 13 31.190 0.098 . 1 . . . . 73 VAL CB . 18765 1 814 . 1 1 73 73 VAL CG1 C 13 23.388 0.027 . 2 . . . . 73 VAL CG1 . 18765 1 815 . 1 1 73 73 VAL CG2 C 13 22.196 0.054 . 2 . . . . 73 VAL CG2 . 18765 1 816 . 1 1 73 73 VAL N N 15 119.185 0.046 . 1 . . . . 73 VAL N . 18765 1 817 . 1 1 74 74 MET H H 1 8.153 0.002 . 1 . . . . 74 MET H . 18765 1 818 . 1 1 74 74 MET HA H 1 4.371 0.002 . 1 . . . . 74 MET HA . 18765 1 819 . 1 1 74 74 MET HB2 H 1 2.306 0.001 . 2 . . . . 74 MET HB2 . 18765 1 820 . 1 1 74 74 MET HB3 H 1 2.143 0.006 . 2 . . . . 74 MET HB3 . 18765 1 821 . 1 1 74 74 MET HG2 H 1 2.687 0.005 . 2 . . . . 74 MET HG2 . 18765 1 822 . 1 1 74 74 MET HG3 H 1 2.434 0.004 . 2 . . . . 74 MET HG3 . 18765 1 823 . 1 1 74 74 MET HE1 H 1 2.145 0.001 . 1 . . . . 74 MET HE1 . 18765 1 824 . 1 1 74 74 MET HE2 H 1 2.145 0.001 . 1 . . . . 74 MET HE2 . 18765 1 825 . 1 1 74 74 MET HE3 H 1 2.145 0.001 . 1 . . . . 74 MET HE3 . 18765 1 826 . 1 1 74 74 MET C C 13 177.022 0.000 . 1 . . . . 74 MET C . 18765 1 827 . 1 1 74 74 MET CA C 13 58.136 0.036 . 1 . . . . 74 MET CA . 18765 1 828 . 1 1 74 74 MET CB C 13 33.841 0.085 . 1 . . . . 74 MET CB . 18765 1 829 . 1 1 74 74 MET CG C 13 32.551 0.042 . 1 . . . . 74 MET CG . 18765 1 830 . 1 1 74 74 MET CE C 13 16.932 0.005 . 1 . . . . 74 MET CE . 18765 1 831 . 1 1 74 74 MET N N 15 117.846 0.040 . 1 . . . . 74 MET N . 18765 1 832 . 1 1 75 75 SER H H 1 7.469 0.004 . 1 . . . . 75 SER H . 18765 1 833 . 1 1 75 75 SER HA H 1 4.458 0.003 . 1 . . . . 75 SER HA . 18765 1 834 . 1 1 75 75 SER HB2 H 1 4.108 0.004 . 1 . . . . 75 SER HB2 . 18765 1 835 . 1 1 75 75 SER HB3 H 1 4.108 0.004 . 1 . . . . 75 SER HB3 . 18765 1 836 . 1 1 75 75 SER C C 13 172.155 0.000 . 1 . . . . 75 SER C . 18765 1 837 . 1 1 75 75 SER CA C 13 59.591 0.049 . 1 . . . . 75 SER CA . 18765 1 838 . 1 1 75 75 SER CB C 13 64.099 0.089 . 1 . . . . 75 SER CB . 18765 1 839 . 1 1 75 75 SER N N 15 112.244 0.007 . 1 . . . . 75 SER N . 18765 1 840 . 1 1 76 76 GLN H H 1 7.393 0.002 . 1 . . . . 76 GLN H . 18765 1 841 . 1 1 76 76 GLN HA H 1 4.905 0.003 . 1 . . . . 76 GLN HA . 18765 1 842 . 1 1 76 76 GLN HB2 H 1 1.593 0.001 . 2 . . . . 76 GLN HB2 . 18765 1 843 . 1 1 76 76 GLN HB3 H 1 2.111 0.000 . 2 . . . . 76 GLN HB3 . 18765 1 844 . 1 1 76 76 GLN HE21 H 1 7.005 0.000 . 1 . . . . 76 GLN HE21 . 18765 1 845 . 1 1 76 76 GLN HE22 H 1 7.300 0.000 . 1 . . . . 76 GLN HE22 . 18765 1 846 . 1 1 76 76 GLN C C 13 173.888 0.027 . 1 . . . . 76 GLN C . 18765 1 847 . 1 1 76 76 GLN CA C 13 53.696 0.100 . 1 . . . . 76 GLN CA . 18765 1 848 . 1 1 76 76 GLN CB C 13 33.402 0.209 . 1 . . . . 76 GLN CB . 18765 1 849 . 1 1 76 76 GLN N N 15 116.261 0.028 . 1 . . . . 76 GLN N . 18765 1 850 . 1 1 76 76 GLN NE2 N 15 110.973 0.006 . 1 . . . . 76 GLN NE2 . 18765 1 851 . 1 1 77 77 ARG H H 1 8.345 0.003 . 1 . . . . 77 ARG H . 18765 1 852 . 1 1 77 77 ARG HA H 1 4.784 0.000 . 1 . . . . 77 ARG HA . 18765 1 853 . 1 1 77 77 ARG C C 13 176.021 0.012 . 1 . . . . 77 ARG C . 18765 1 854 . 1 1 77 77 ARG CA C 13 56.311 0.117 . 1 . . . . 77 ARG CA . 18765 1 855 . 1 1 77 77 ARG CB C 13 31.878 0.124 . 1 . . . . 77 ARG CB . 18765 1 856 . 1 1 77 77 ARG CG C 13 27.300 0.000 . 1 . . . . 77 ARG CG . 18765 1 857 . 1 1 77 77 ARG N N 15 118.516 0.032 . 1 . . . . 77 ARG N . 18765 1 858 . 1 1 78 78 HIS H H 1 8.790 0.009 . 1 . . . . 78 HIS H . 18765 1 859 . 1 1 78 78 HIS HA H 1 4.842 0.004 . 1 . . . . 78 HIS HA . 18765 1 860 . 1 1 78 78 HIS HB2 H 1 2.772 0.004 . 2 . . . . 78 HIS HB2 . 18765 1 861 . 1 1 78 78 HIS HB3 H 1 2.572 0.010 . 2 . . . . 78 HIS HB3 . 18765 1 862 . 1 1 78 78 HIS HD1 H 1 7.225 0.000 . 1 . . . . 78 HIS HD1 . 18765 1 863 . 1 1 78 78 HIS HD2 H 1 7.185 0.000 . 1 . . . . 78 HIS HD2 . 18765 1 864 . 1 1 78 78 HIS C C 13 173.419 0.015 . 1 . . . . 78 HIS C . 18765 1 865 . 1 1 78 78 HIS CA C 13 56.728 0.073 . 1 . . . . 78 HIS CA . 18765 1 866 . 1 1 78 78 HIS CB C 13 34.358 0.043 . 1 . . . . 78 HIS CB . 18765 1 867 . 1 1 78 78 HIS CD2 C 13 119.340 0.000 . 1 . . . . 78 HIS CD2 . 18765 1 868 . 1 1 78 78 HIS N N 15 118.237 0.027 . 1 . . . . 78 HIS N . 18765 1 869 . 1 1 79 79 MET H H 1 8.880 0.003 . 1 . . . . 79 MET H . 18765 1 870 . 1 1 79 79 MET HA H 1 4.250 0.005 . 1 . . . . 79 MET HA . 18765 1 871 . 1 1 79 79 MET HB2 H 1 1.567 0.002 . 2 . . . . 79 MET HB2 . 18765 1 872 . 1 1 79 79 MET HB3 H 1 0.313 0.005 . 2 . . . . 79 MET HB3 . 18765 1 873 . 1 1 79 79 MET HG2 H 1 1.767 0.006 . 2 . . . . 79 MET HG2 . 18765 1 874 . 1 1 79 79 MET HG3 H 1 1.468 0.004 . 2 . . . . 79 MET HG3 . 18765 1 875 . 1 1 79 79 MET HE1 H 1 2.047 0.000 . 1 . . . . 79 MET HE1 . 18765 1 876 . 1 1 79 79 MET HE2 H 1 2.047 0.000 . 1 . . . . 79 MET HE2 . 18765 1 877 . 1 1 79 79 MET HE3 H 1 2.047 0.000 . 1 . . . . 79 MET HE3 . 18765 1 878 . 1 1 79 79 MET C C 13 173.451 0.048 . 1 . . . . 79 MET C . 18765 1 879 . 1 1 79 79 MET CA C 13 53.883 0.195 . 1 . . . . 79 MET CA . 18765 1 880 . 1 1 79 79 MET CB C 13 29.389 0.070 . 1 . . . . 79 MET CB . 18765 1 881 . 1 1 79 79 MET CG C 13 31.053 0.072 . 1 . . . . 79 MET CG . 18765 1 882 . 1 1 79 79 MET CE C 13 16.714 0.000 . 1 . . . . 79 MET CE . 18765 1 883 . 1 1 79 79 MET N N 15 128.840 0.015 . 1 . . . . 79 MET N . 18765 1 884 . 1 1 80 80 ILE H H 1 8.338 0.004 . 1 . . . . 80 ILE H . 18765 1 885 . 1 1 80 80 ILE HA H 1 3.574 0.004 . 1 . . . . 80 ILE HA . 18765 1 886 . 1 1 80 80 ILE HB H 1 1.612 0.003 . 1 . . . . 80 ILE HB . 18765 1 887 . 1 1 80 80 ILE HG12 H 1 -0.579 0.004 . 2 . . . . 80 ILE HG12 . 18765 1 888 . 1 1 80 80 ILE HG13 H 1 0.709 0.003 . 2 . . . . 80 ILE HG13 . 18765 1 889 . 1 1 80 80 ILE HG21 H 1 0.374 0.003 . 1 . . . . 80 ILE HG21 . 18765 1 890 . 1 1 80 80 ILE HG22 H 1 0.374 0.003 . 1 . . . . 80 ILE HG22 . 18765 1 891 . 1 1 80 80 ILE HG23 H 1 0.374 0.003 . 1 . . . . 80 ILE HG23 . 18765 1 892 . 1 1 80 80 ILE HD11 H 1 0.139 0.007 . 1 . . . . 80 ILE HD11 . 18765 1 893 . 1 1 80 80 ILE HD12 H 1 0.139 0.007 . 1 . . . . 80 ILE HD12 . 18765 1 894 . 1 1 80 80 ILE HD13 H 1 0.139 0.007 . 1 . . . . 80 ILE HD13 . 18765 1 895 . 1 1 80 80 ILE C C 13 174.257 0.020 . 1 . . . . 80 ILE C . 18765 1 896 . 1 1 80 80 ILE CA C 13 60.409 0.064 . 1 . . . . 80 ILE CA . 18765 1 897 . 1 1 80 80 ILE CB C 13 39.086 0.078 . 1 . . . . 80 ILE CB . 18765 1 898 . 1 1 80 80 ILE CG1 C 13 25.672 0.049 . 1 . . . . 80 ILE CG1 . 18765 1 899 . 1 1 80 80 ILE CG2 C 13 16.423 0.037 . 1 . . . . 80 ILE CG2 . 18765 1 900 . 1 1 80 80 ILE CD1 C 13 12.799 0.019 . 1 . . . . 80 ILE CD1 . 18765 1 901 . 1 1 80 80 ILE N N 15 128.332 0.038 . 1 . . . . 80 ILE N . 18765 1 902 . 1 1 81 81 ASP H H 1 8.610 0.006 . 1 . . . . 81 ASP H . 18765 1 903 . 1 1 81 81 ASP HA H 1 4.049 0.002 . 1 . . . . 81 ASP HA . 18765 1 904 . 1 1 81 81 ASP HB2 H 1 2.165 0.007 . 2 . . . . 81 ASP HB2 . 18765 1 905 . 1 1 81 81 ASP HB3 H 1 2.793 0.001 . 2 . . . . 81 ASP HB3 . 18765 1 906 . 1 1 81 81 ASP C C 13 175.560 0.025 . 1 . . . . 81 ASP C . 18765 1 907 . 1 1 81 81 ASP CA C 13 55.088 0.072 . 1 . . . . 81 ASP CA . 18765 1 908 . 1 1 81 81 ASP CB C 13 40.396 0.108 . 1 . . . . 81 ASP CB . 18765 1 909 . 1 1 81 81 ASP N N 15 124.820 0.030 . 1 . . . . 81 ASP N . 18765 1 910 . 1 1 82 82 GLY H H 1 7.821 0.002 . 1 . . . . 82 GLY H . 18765 1 911 . 1 1 82 82 GLY HA2 H 1 3.985 0.005 . 2 . . . . 82 GLY HA2 . 18765 1 912 . 1 1 82 82 GLY HA3 H 1 3.426 0.001 . 2 . . . . 82 GLY HA3 . 18765 1 913 . 1 1 82 82 GLY C C 13 173.813 0.018 . 1 . . . . 82 GLY C . 18765 1 914 . 1 1 82 82 GLY CA C 13 45.653 0.112 . 1 . . . . 82 GLY CA . 18765 1 915 . 1 1 82 82 GLY N N 15 100.682 0.033 . 1 . . . . 82 GLY N . 18765 1 916 . 1 1 83 83 ARG H H 1 7.623 0.002 . 1 . . . . 83 ARG H . 18765 1 917 . 1 1 83 83 ARG HA H 1 4.541 0.004 . 1 . . . . 83 ARG HA . 18765 1 918 . 1 1 83 83 ARG HB2 H 1 1.869 0.000 . 2 . . . . 83 ARG HB2 . 18765 1 919 . 1 1 83 83 ARG HB3 H 1 1.586 0.004 . 2 . . . . 83 ARG HB3 . 18765 1 920 . 1 1 83 83 ARG HG2 H 1 1.583 0.007 . 1 . . . . 83 ARG HG2 . 18765 1 921 . 1 1 83 83 ARG HG3 H 1 1.583 0.007 . 1 . . . . 83 ARG HG3 . 18765 1 922 . 1 1 83 83 ARG HD2 H 1 3.186 0.001 . 1 . . . . 83 ARG HD2 . 18765 1 923 . 1 1 83 83 ARG HD3 H 1 3.186 0.001 . 1 . . . . 83 ARG HD3 . 18765 1 924 . 1 1 83 83 ARG C C 13 174.391 0.009 . 1 . . . . 83 ARG C . 18765 1 925 . 1 1 83 83 ARG CA C 13 53.274 0.140 . 1 . . . . 83 ARG CA . 18765 1 926 . 1 1 83 83 ARG CB C 13 33.065 0.089 . 1 . . . . 83 ARG CB . 18765 1 927 . 1 1 83 83 ARG CG C 13 26.602 0.025 . 1 . . . . 83 ARG CG . 18765 1 928 . 1 1 83 83 ARG CD C 13 42.924 0.065 . 1 . . . . 83 ARG CD . 18765 1 929 . 1 1 83 83 ARG N N 15 121.516 0.012 . 1 . . . . 83 ARG N . 18765 1 930 . 1 1 84 84 TRP H H 1 8.516 0.002 . 1 . . . . 84 TRP H . 18765 1 931 . 1 1 84 84 TRP HA H 1 4.900 0.006 . 1 . . . . 84 TRP HA . 18765 1 932 . 1 1 84 84 TRP HB2 H 1 3.106 0.011 . 2 . . . . 84 TRP HB2 . 18765 1 933 . 1 1 84 84 TRP HB3 H 1 2.913 0.001 . 2 . . . . 84 TRP HB3 . 18765 1 934 . 1 1 84 84 TRP HD1 H 1 7.296 0.000 . 1 . . . . 84 TRP HD1 . 18765 1 935 . 1 1 84 84 TRP HE1 H 1 10.030 0.001 . 1 . . . . 84 TRP HE1 . 18765 1 936 . 1 1 84 84 TRP HZ2 H 1 7.437 0.006 . 1 . . . . 84 TRP HZ2 . 18765 1 937 . 1 1 84 84 TRP HZ3 H 1 6.946 0.000 . 1 . . . . 84 TRP HZ3 . 18765 1 938 . 1 1 84 84 TRP HH2 H 1 7.196 0.008 . 1 . . . . 84 TRP HH2 . 18765 1 939 . 1 1 84 84 TRP C C 13 177.007 0.026 . 1 . . . . 84 TRP C . 18765 1 940 . 1 1 84 84 TRP CA C 13 57.445 0.124 . 1 . . . . 84 TRP CA . 18765 1 941 . 1 1 84 84 TRP CB C 13 29.786 0.084 . 1 . . . . 84 TRP CB . 18765 1 942 . 1 1 84 84 TRP CZ2 C 13 114.756 0.000 . 1 . . . . 84 TRP CZ2 . 18765 1 943 . 1 1 84 84 TRP CH2 C 13 124.738 0.000 . 1 . . . . 84 TRP CH2 . 18765 1 944 . 1 1 84 84 TRP N N 15 121.773 0.037 . 1 . . . . 84 TRP N . 18765 1 945 . 1 1 84 84 TRP NE1 N 15 128.542 0.010 . 1 . . . . 84 TRP NE1 . 18765 1 946 . 1 1 85 85 CYS H H 1 10.006 0.003 . 1 . . . . 85 CYS H . 18765 1 947 . 1 1 85 85 CYS HA H 1 5.135 0.006 . 1 . . . . 85 CYS HA . 18765 1 948 . 1 1 85 85 CYS HB2 H 1 2.672 0.008 . 2 . . . . 85 CYS HB2 . 18765 1 949 . 1 1 85 85 CYS HB3 H 1 2.915 0.005 . 2 . . . . 85 CYS HB3 . 18765 1 950 . 1 1 85 85 CYS C C 13 173.695 0.048 . 1 . . . . 85 CYS C . 18765 1 951 . 1 1 85 85 CYS CA C 13 58.697 0.114 . 1 . . . . 85 CYS CA . 18765 1 952 . 1 1 85 85 CYS CB C 13 31.016 0.099 . 1 . . . . 85 CYS CB . 18765 1 953 . 1 1 85 85 CYS N N 15 124.041 0.052 . 1 . . . . 85 CYS N . 18765 1 954 . 1 1 86 86 ASP H H 1 8.015 0.003 . 1 . . . . 86 ASP H . 18765 1 955 . 1 1 86 86 ASP HA H 1 5.423 0.003 . 1 . . . . 86 ASP HA . 18765 1 956 . 1 1 86 86 ASP HB2 H 1 2.597 0.003 . 2 . . . . 86 ASP HB2 . 18765 1 957 . 1 1 86 86 ASP HB3 H 1 2.430 0.001 . 2 . . . . 86 ASP HB3 . 18765 1 958 . 1 1 86 86 ASP C C 13 174.536 0.066 . 1 . . . . 86 ASP C . 18765 1 959 . 1 1 86 86 ASP CA C 13 53.795 0.152 . 1 . . . . 86 ASP CA . 18765 1 960 . 1 1 86 86 ASP CB C 13 45.531 0.103 . 1 . . . . 86 ASP CB . 18765 1 961 . 1 1 86 86 ASP N N 15 119.770 0.027 . 1 . . . . 86 ASP N . 18765 1 962 . 1 1 87 87 CYS H H 1 9.500 0.002 . 1 . . . . 87 CYS H . 18765 1 963 . 1 1 87 87 CYS HA H 1 5.810 0.005 . 1 . . . . 87 CYS HA . 18765 1 964 . 1 1 87 87 CYS HB2 H 1 2.646 0.003 . 2 . . . . 87 CYS HB2 . 18765 1 965 . 1 1 87 87 CYS HB3 H 1 2.807 0.003 . 2 . . . . 87 CYS HB3 . 18765 1 966 . 1 1 87 87 CYS C C 13 174.092 0.038 . 1 . . . . 87 CYS C . 18765 1 967 . 1 1 87 87 CYS CA C 13 57.350 0.112 . 1 . . . . 87 CYS CA . 18765 1 968 . 1 1 87 87 CYS CB C 13 29.742 0.113 . 1 . . . . 87 CYS CB . 18765 1 969 . 1 1 87 87 CYS N N 15 119.617 0.018 . 1 . . . . 87 CYS N . 18765 1 970 . 1 1 88 88 LYS H H 1 9.013 0.002 . 1 . . . . 88 LYS H . 18765 1 971 . 1 1 88 88 LYS HA H 1 4.804 0.003 . 1 . . . . 88 LYS HA . 18765 1 972 . 1 1 88 88 LYS HB2 H 1 1.610 0.007 . 2 . . . . 88 LYS HB2 . 18765 1 973 . 1 1 88 88 LYS HB3 H 1 1.905 0.007 . 2 . . . . 88 LYS HB3 . 18765 1 974 . 1 1 88 88 LYS HG2 H 1 1.258 0.012 . 2 . . . . 88 LYS HG2 . 18765 1 975 . 1 1 88 88 LYS HG3 H 1 1.274 0.006 . 2 . . . . 88 LYS HG3 . 18765 1 976 . 1 1 88 88 LYS HD2 H 1 1.670 0.021 . 1 . . . . 88 LYS HD2 . 18765 1 977 . 1 1 88 88 LYS HD3 H 1 1.670 0.021 . 1 . . . . 88 LYS HD3 . 18765 1 978 . 1 1 88 88 LYS HE2 H 1 2.884 0.002 . 2 . . . . 88 LYS HE2 . 18765 1 979 . 1 1 88 88 LYS HE3 H 1 2.884 0.002 . 2 . . . . 88 LYS HE3 . 18765 1 980 . 1 1 88 88 LYS C C 13 174.769 0.011 . 1 . . . . 88 LYS C . 18765 1 981 . 1 1 88 88 LYS CA C 13 54.151 0.054 . 1 . . . . 88 LYS CA . 18765 1 982 . 1 1 88 88 LYS CB C 13 36.470 0.075 . 1 . . . . 88 LYS CB . 18765 1 983 . 1 1 88 88 LYS CG C 13 24.414 0.012 . 1 . . . . 88 LYS CG . 18765 1 984 . 1 1 88 88 LYS CD C 13 29.129 0.005 . 1 . . . . 88 LYS CD . 18765 1 985 . 1 1 88 88 LYS CE C 13 42.120 0.000 . 1 . . . . 88 LYS CE . 18765 1 986 . 1 1 88 88 LYS N N 15 121.740 0.024 . 1 . . . . 88 LYS N . 18765 1 987 . 1 1 89 89 LEU H H 1 8.637 0.002 . 1 . . . . 89 LEU H . 18765 1 988 . 1 1 89 89 LEU HA H 1 4.807 0.002 . 1 . . . . 89 LEU HA . 18765 1 989 . 1 1 89 89 LEU HB2 H 1 1.715 0.001 . 2 . . . . 89 LEU HB2 . 18765 1 990 . 1 1 89 89 LEU HB3 H 1 1.195 0.002 . 2 . . . . 89 LEU HB3 . 18765 1 991 . 1 1 89 89 LEU HG H 1 1.962 0.003 . 1 . . . . 89 LEU HG . 18765 1 992 . 1 1 89 89 LEU HD11 H 1 0.751 0.008 . 2 . . . . 89 LEU HD11 . 18765 1 993 . 1 1 89 89 LEU HD12 H 1 0.751 0.008 . 2 . . . . 89 LEU HD12 . 18765 1 994 . 1 1 89 89 LEU HD13 H 1 0.751 0.008 . 2 . . . . 89 LEU HD13 . 18765 1 995 . 1 1 89 89 LEU HD21 H 1 0.850 0.001 . 2 . . . . 89 LEU HD21 . 18765 1 996 . 1 1 89 89 LEU HD22 H 1 0.850 0.001 . 2 . . . . 89 LEU HD22 . 18765 1 997 . 1 1 89 89 LEU HD23 H 1 0.850 0.001 . 2 . . . . 89 LEU HD23 . 18765 1 998 . 1 1 89 89 LEU C C 13 175.923 0.000 . 1 . . . . 89 LEU C . 18765 1 999 . 1 1 89 89 LEU CA C 13 53.146 0.043 . 1 . . . . 89 LEU CA . 18765 1 1000 . 1 1 89 89 LEU CB C 13 41.507 0.000 . 1 . . . . 89 LEU CB . 18765 1 1001 . 1 1 89 89 LEU CG C 13 26.520 0.080 . 1 . . . . 89 LEU CG . 18765 1 1002 . 1 1 89 89 LEU CD1 C 13 23.244 0.000 . 2 . . . . 89 LEU CD1 . 18765 1 1003 . 1 1 89 89 LEU CD2 C 13 26.502 0.000 . 2 . . . . 89 LEU CD2 . 18765 1 1004 . 1 1 89 89 LEU N N 15 122.824 0.013 . 1 . . . . 89 LEU N . 18765 1 1005 . 1 1 90 90 PRO HA H 1 4.441 0.004 . 1 . . . . 90 PRO HA . 18765 1 1006 . 1 1 90 90 PRO HB2 H 1 2.076 0.004 . 2 . . . . 90 PRO HB2 . 18765 1 1007 . 1 1 90 90 PRO HB3 H 1 2.312 0.002 . 2 . . . . 90 PRO HB3 . 18765 1 1008 . 1 1 90 90 PRO HG2 H 1 2.040 0.007 . 2 . . . . 90 PRO HG2 . 18765 1 1009 . 1 1 90 90 PRO HG3 H 1 2.210 0.003 . 2 . . . . 90 PRO HG3 . 18765 1 1010 . 1 1 90 90 PRO HD2 H 1 4.310 0.002 . 2 . . . . 90 PRO HD2 . 18765 1 1011 . 1 1 90 90 PRO HD3 H 1 3.908 0.006 . 2 . . . . 90 PRO HD3 . 18765 1 1012 . 1 1 90 90 PRO C C 13 176.458 0.000 . 1 . . . . 90 PRO C . 18765 1 1013 . 1 1 90 90 PRO CA C 13 63.107 0.077 . 1 . . . . 90 PRO CA . 18765 1 1014 . 1 1 90 90 PRO CB C 13 32.069 0.004 . 1 . . . . 90 PRO CB . 18765 1 1015 . 1 1 90 90 PRO CG C 13 27.604 0.000 . 1 . . . . 90 PRO CG . 18765 1 1016 . 1 1 90 90 PRO CD C 13 51.334 0.086 . 1 . . . . 90 PRO CD . 18765 1 1017 . 1 1 91 91 ASN H H 1 8.613 0.005 . 1 . . . . 91 ASN H . 18765 1 1018 . 1 1 91 91 ASN HA H 1 4.719 0.003 . 1 . . . . 91 ASN HA . 18765 1 1019 . 1 1 91 91 ASN HB2 H 1 2.882 0.002 . 1 . . . . 91 ASN HB2 . 18765 1 1020 . 1 1 91 91 ASN HB3 H 1 2.882 0.002 . 1 . . . . 91 ASN HB3 . 18765 1 1021 . 1 1 91 91 ASN HD21 H 1 6.937 0.000 . 1 . . . . 91 ASN HD21 . 18765 1 1022 . 1 1 91 91 ASN HD22 H 1 7.611 0.000 . 1 . . . . 91 ASN HD22 . 18765 1 1023 . 1 1 91 91 ASN C C 13 175.527 0.000 . 1 . . . . 91 ASN C . 18765 1 1024 . 1 1 91 91 ASN CA C 13 53.081 0.018 . 1 . . . . 91 ASN CA . 18765 1 1025 . 1 1 91 91 ASN CB C 13 38.841 0.000 . 1 . . . . 91 ASN CB . 18765 1 1026 . 1 1 91 91 ASN N N 15 119.068 0.026 . 1 . . . . 91 ASN N . 18765 1 1027 . 1 1 91 91 ASN ND2 N 15 112.787 0.003 . 1 . . . . 91 ASN ND2 . 18765 1 1028 . 1 1 92 92 SER C C 13 174.848 0.000 . 1 . . . . 92 SER C . 18765 1 1029 . 1 1 92 92 SER CA C 13 58.929 0.134 . 1 . . . . 92 SER CA . 18765 1 1030 . 1 1 92 92 SER CB C 13 63.540 0.064 . 1 . . . . 92 SER CB . 18765 1 1031 . 1 1 93 93 LYS H H 1 8.330 0.002 . 1 . . . . 93 LYS H . 18765 1 1032 . 1 1 93 93 LYS HA H 1 4.299 0.000 . 1 . . . . 93 LYS HA . 18765 1 1033 . 1 1 93 93 LYS C C 13 176.866 0.018 . 1 . . . . 93 LYS C . 18765 1 1034 . 1 1 93 93 LYS CA C 13 56.700 0.050 . 1 . . . . 93 LYS CA . 18765 1 1035 . 1 1 93 93 LYS CB C 13 32.736 0.000 . 1 . . . . 93 LYS CB . 18765 1 1036 . 1 1 93 93 LYS CG C 13 24.798 0.000 . 1 . . . . 93 LYS CG . 18765 1 1037 . 1 1 93 93 LYS N N 15 122.636 0.040 . 1 . . . . 93 LYS N . 18765 1 1038 . 1 1 94 94 GLN H H 1 8.302 0.001 . 1 . . . . 94 GLN H . 18765 1 1039 . 1 1 94 94 GLN HA H 1 4.324 0.000 . 1 . . . . 94 GLN HA . 18765 1 1040 . 1 1 94 94 GLN HB2 H 1 2.037 0.000 . 1 . . . . 94 GLN HB2 . 18765 1 1041 . 1 1 94 94 GLN HB3 H 1 2.037 0.000 . 1 . . . . 94 GLN HB3 . 18765 1 1042 . 1 1 94 94 GLN HG2 H 1 2.375 0.000 . 1 . . . . 94 GLN HG2 . 18765 1 1043 . 1 1 94 94 GLN HG3 H 1 2.375 0.000 . 1 . . . . 94 GLN HG3 . 18765 1 1044 . 1 1 94 94 GLN HE21 H 1 6.807 0.000 . 1 . . . . 94 GLN HE21 . 18765 1 1045 . 1 1 94 94 GLN HE22 H 1 7.501 0.000 . 1 . . . . 94 GLN HE22 . 18765 1 1046 . 1 1 94 94 GLN C C 13 176.208 0.018 . 1 . . . . 94 GLN C . 18765 1 1047 . 1 1 94 94 GLN CA C 13 56.062 0.046 . 1 . . . . 94 GLN CA . 18765 1 1048 . 1 1 94 94 GLN CB C 13 29.236 0.044 . 1 . . . . 94 GLN CB . 18765 1 1049 . 1 1 94 94 GLN CG C 13 33.785 0.000 . 1 . . . . 94 GLN CG . 18765 1 1050 . 1 1 94 94 GLN N N 15 120.856 0.028 . 1 . . . . 94 GLN N . 18765 1 1051 . 1 1 94 94 GLN NE2 N 15 112.408 0.004 . 1 . . . . 94 GLN NE2 . 18765 1 1052 . 1 1 95 95 SER H H 1 8.289 0.006 . 1 . . . . 95 SER H . 18765 1 1053 . 1 1 95 95 SER HA H 1 4.409 0.000 . 1 . . . . 95 SER HA . 18765 1 1054 . 1 1 95 95 SER HB2 H 1 3.864 0.003 . 1 . . . . 95 SER HB2 . 18765 1 1055 . 1 1 95 95 SER HB3 H 1 3.864 0.003 . 1 . . . . 95 SER HB3 . 18765 1 1056 . 1 1 95 95 SER C C 13 174.637 0.000 . 1 . . . . 95 SER C . 18765 1 1057 . 1 1 95 95 SER CA C 13 58.694 0.122 . 1 . . . . 95 SER CA . 18765 1 1058 . 1 1 95 95 SER CB C 13 63.794 0.063 . 1 . . . . 95 SER CB . 18765 1 1059 . 1 1 95 95 SER N N 15 116.513 0.066 . 1 . . . . 95 SER N . 18765 1 1060 . 1 1 96 96 GLN H H 1 8.388 0.002 . 1 . . . . 96 GLN H . 18765 1 1061 . 1 1 96 96 GLN HA H 1 4.332 0.004 . 1 . . . . 96 GLN HA . 18765 1 1062 . 1 1 96 96 GLN HB2 H 1 2.119 0.000 . 2 . . . . 96 GLN HB2 . 18765 1 1063 . 1 1 96 96 GLN HB3 H 1 1.972 0.000 . 2 . . . . 96 GLN HB3 . 18765 1 1064 . 1 1 96 96 GLN HG2 H 1 2.323 0.002 . 1 . . . . 96 GLN HG2 . 18765 1 1065 . 1 1 96 96 GLN HG3 H 1 2.323 0.002 . 1 . . . . 96 GLN HG3 . 18765 1 1066 . 1 1 96 96 GLN HE21 H 1 6.748 0.001 . 1 . . . . 96 GLN HE21 . 18765 1 1067 . 1 1 96 96 GLN HE22 H 1 7.528 0.001 . 1 . . . . 96 GLN HE22 . 18765 1 1068 . 1 1 96 96 GLN C C 13 175.533 0.016 . 1 . . . . 96 GLN C . 18765 1 1069 . 1 1 96 96 GLN CA C 13 56.007 0.036 . 1 . . . . 96 GLN CA . 18765 1 1070 . 1 1 96 96 GLN CB C 13 29.266 0.117 . 1 . . . . 96 GLN CB . 18765 1 1071 . 1 1 96 96 GLN CG C 13 33.758 0.009 . 1 . . . . 96 GLN CG . 18765 1 1072 . 1 1 96 96 GLN N N 15 121.753 0.000 . 1 . . . . 96 GLN N . 18765 1 1073 . 1 1 96 96 GLN NE2 N 15 111.976 0.189 . 1 . . . . 96 GLN NE2 . 18765 1 1074 . 1 1 97 97 ASP H H 1 8.278 0.003 . 1 . . . . 97 ASP H . 18765 1 1075 . 1 1 97 97 ASP HA H 1 4.598 0.003 . 1 . . . . 97 ASP HA . 18765 1 1076 . 1 1 97 97 ASP HB2 H 1 2.693 0.001 . 2 . . . . 97 ASP HB2 . 18765 1 1077 . 1 1 97 97 ASP HB3 H 1 2.554 0.006 . 2 . . . . 97 ASP HB3 . 18765 1 1078 . 1 1 97 97 ASP C C 13 175.773 0.032 . 1 . . . . 97 ASP C . 18765 1 1079 . 1 1 97 97 ASP CA C 13 54.309 0.139 . 1 . . . . 97 ASP CA . 18765 1 1080 . 1 1 97 97 ASP CB C 13 41.370 0.041 . 1 . . . . 97 ASP CB . 18765 1 1081 . 1 1 97 97 ASP N N 15 120.894 0.018 . 1 . . . . 97 ASP N . 18765 1 1082 . 1 1 98 98 GLU H H 1 8.143 0.002 . 1 . . . . 98 GLU H . 18765 1 1083 . 1 1 98 98 GLU HA H 1 4.539 0.002 . 1 . . . . 98 GLU HA . 18765 1 1084 . 1 1 98 98 GLU HB2 H 1 1.898 0.004 . 2 . . . . 98 GLU HB2 . 18765 1 1085 . 1 1 98 98 GLU HB3 H 1 2.004 0.004 . 2 . . . . 98 GLU HB3 . 18765 1 1086 . 1 1 98 98 GLU HG2 H 1 2.258 0.005 . 2 . . . . 98 GLU HG2 . 18765 1 1087 . 1 1 98 98 GLU HG3 H 1 2.257 0.005 . 2 . . . . 98 GLU HG3 . 18765 1 1088 . 1 1 98 98 GLU C C 13 174.474 0.000 . 1 . . . . 98 GLU C . 18765 1 1089 . 1 1 98 98 GLU CA C 13 54.539 0.045 . 1 . . . . 98 GLU CA . 18765 1 1090 . 1 1 98 98 GLU CB C 13 29.956 0.000 . 1 . . . . 98 GLU CB . 18765 1 1091 . 1 1 98 98 GLU CG C 13 35.943 0.006 . 1 . . . . 98 GLU CG . 18765 1 1092 . 1 1 98 98 GLU N N 15 121.940 0.059 . 1 . . . . 98 GLU N . 18765 1 1093 . 1 1 99 99 PRO HA H 1 4.434 0.005 . 1 . . . . 99 PRO HA . 18765 1 1094 . 1 1 99 99 PRO HG2 H 1 2.166 0.006 . 2 . . . . 99 PRO HG2 . 18765 1 1095 . 1 1 99 99 PRO HG3 H 1 1.812 0.004 . 2 . . . . 99 PRO HG3 . 18765 1 1096 . 1 1 99 99 PRO HD2 H 1 3.482 0.005 . 2 . . . . 99 PRO HD2 . 18765 1 1097 . 1 1 99 99 PRO HD3 H 1 3.675 0.003 . 2 . . . . 99 PRO HD3 . 18765 1 1098 . 1 1 99 99 PRO C C 13 176.866 0.000 . 1 . . . . 99 PRO C . 18765 1 1099 . 1 1 99 99 PRO CA C 13 63.168 0.092 . 1 . . . . 99 PRO CA . 18765 1 1100 . 1 1 99 99 PRO CB C 13 31.876 0.095 . 1 . . . . 99 PRO CB . 18765 1 1101 . 1 1 99 99 PRO CG C 13 27.292 0.000 . 1 . . . . 99 PRO CG . 18765 1 1102 . 1 1 99 99 PRO CD C 13 50.493 0.000 . 1 . . . . 99 PRO CD . 18765 1 1103 . 1 1 100 100 LEU H H 1 8.303 0.003 . 1 . . . . 100 LEU H . 18765 1 1104 . 1 1 100 100 LEU HA H 1 4.279 0.002 . 1 . . . . 100 LEU HA . 18765 1 1105 . 1 1 100 100 LEU HB2 H 1 1.592 0.017 . 2 . . . . 100 LEU HB2 . 18765 1 1106 . 1 1 100 100 LEU HB3 H 1 1.617 0.015 . 2 . . . . 100 LEU HB3 . 18765 1 1107 . 1 1 100 100 LEU HG H 1 1.615 0.002 . 1 . . . . 100 LEU HG . 18765 1 1108 . 1 1 100 100 LEU HD11 H 1 0.864 0.005 . 2 . . . . 100 LEU HD11 . 18765 1 1109 . 1 1 100 100 LEU HD12 H 1 0.864 0.005 . 2 . . . . 100 LEU HD12 . 18765 1 1110 . 1 1 100 100 LEU HD13 H 1 0.864 0.005 . 2 . . . . 100 LEU HD13 . 18765 1 1111 . 1 1 100 100 LEU HD21 H 1 0.916 0.006 . 2 . . . . 100 LEU HD21 . 18765 1 1112 . 1 1 100 100 LEU HD22 H 1 0.916 0.006 . 2 . . . . 100 LEU HD22 . 18765 1 1113 . 1 1 100 100 LEU HD23 H 1 0.916 0.006 . 2 . . . . 100 LEU HD23 . 18765 1 1114 . 1 1 100 100 LEU C C 13 177.462 0.015 . 1 . . . . 100 LEU C . 18765 1 1115 . 1 1 100 100 LEU CA C 13 55.380 0.057 . 1 . . . . 100 LEU CA . 18765 1 1116 . 1 1 100 100 LEU CB C 13 42.117 0.022 . 1 . . . . 100 LEU CB . 18765 1 1117 . 1 1 100 100 LEU CG C 13 27.047 0.069 . 1 . . . . 100 LEU CG . 18765 1 1118 . 1 1 100 100 LEU CD1 C 13 23.684 0.198 . 2 . . . . 100 LEU CD1 . 18765 1 1119 . 1 1 100 100 LEU CD2 C 13 24.767 0.096 . 2 . . . . 100 LEU CD2 . 18765 1 1120 . 1 1 100 100 LEU N N 15 121.668 0.019 . 1 . . . . 100 LEU N . 18765 1 1121 . 1 1 101 101 ARG H H 1 8.260 0.012 . 1 . . . . 101 ARG H . 18765 1 1122 . 1 1 101 101 ARG HA H 1 4.382 0.003 . 1 . . . . 101 ARG HA . 18765 1 1123 . 1 1 101 101 ARG HB2 H 1 1.802 0.018 . 2 . . . . 101 ARG HB2 . 18765 1 1124 . 1 1 101 101 ARG HB3 H 1 1.849 0.015 . 2 . . . . 101 ARG HB3 . 18765 1 1125 . 1 1 101 101 ARG HG2 H 1 1.636 0.003 . 1 . . . . 101 ARG HG2 . 18765 1 1126 . 1 1 101 101 ARG HG3 H 1 1.636 0.003 . 1 . . . . 101 ARG HG3 . 18765 1 1127 . 1 1 101 101 ARG HD2 H 1 3.175 0.004 . 1 . . . . 101 ARG HD2 . 18765 1 1128 . 1 1 101 101 ARG HD3 H 1 3.175 0.004 . 1 . . . . 101 ARG HD3 . 18765 1 1129 . 1 1 101 101 ARG C C 13 175.304 0.000 . 1 . . . . 101 ARG C . 18765 1 1130 . 1 1 101 101 ARG CA C 13 55.823 0.048 . 1 . . . . 101 ARG CA . 18765 1 1131 . 1 1 101 101 ARG CB C 13 30.944 0.117 . 1 . . . . 101 ARG CB . 18765 1 1132 . 1 1 101 101 ARG CG C 13 27.177 0.069 . 1 . . . . 101 ARG CG . 18765 1 1133 . 1 1 101 101 ARG CD C 13 43.396 0.034 . 1 . . . . 101 ARG CD . 18765 1 1134 . 1 1 101 101 ARG N N 15 121.971 0.069 . 1 . . . . 101 ARG N . 18765 1 1135 . 1 1 102 102 SER H H 1 8.320 0.003 . 1 . . . . 102 SER H . 18765 1 1136 . 1 1 102 102 SER HA H 1 4.433 0.003 . 1 . . . . 102 SER HA . 18765 1 1137 . 1 1 102 102 SER HB2 H 1 3.862 0.003 . 2 . . . . 102 SER HB2 . 18765 1 1138 . 1 1 102 102 SER HB3 H 1 3.862 0.003 . 2 . . . . 102 SER HB3 . 18765 1 1139 . 1 1 102 102 SER C C 13 173.519 0.003 . 1 . . . . 102 SER C . 18765 1 1140 . 1 1 102 102 SER CA C 13 58.395 0.048 . 1 . . . . 102 SER CA . 18765 1 1141 . 1 1 102 102 SER CB C 13 63.858 0.078 . 1 . . . . 102 SER CB . 18765 1 1142 . 1 1 102 102 SER N N 15 117.620 0.060 . 1 . . . . 102 SER N . 18765 1 1143 . 1 1 103 103 ARG H H 1 7.965 0.002 . 1 . . . . 103 ARG H . 18765 1 1144 . 1 1 103 103 ARG HA H 1 4.175 0.002 . 1 . . . . 103 ARG HA . 18765 1 1145 . 1 1 103 103 ARG HB2 H 1 1.843 0.004 . 2 . . . . 103 ARG HB2 . 18765 1 1146 . 1 1 103 103 ARG HB3 H 1 1.706 0.008 . 2 . . . . 103 ARG HB3 . 18765 1 1147 . 1 1 103 103 ARG HG2 H 1 1.582 0.000 . 1 . . . . 103 ARG HG2 . 18765 1 1148 . 1 1 103 103 ARG HG3 H 1 1.582 0.000 . 1 . . . . 103 ARG HG3 . 18765 1 1149 . 1 1 103 103 ARG HD2 H 1 3.163 0.003 . 1 . . . . 103 ARG HD2 . 18765 1 1150 . 1 1 103 103 ARG HD3 H 1 3.163 0.003 . 1 . . . . 103 ARG HD3 . 18765 1 1151 . 1 1 103 103 ARG C C 13 180.969 0.000 . 1 . . . . 103 ARG C . 18765 1 1152 . 1 1 103 103 ARG CA C 13 57.630 0.019 . 1 . . . . 103 ARG CA . 18765 1 1153 . 1 1 103 103 ARG CB C 13 31.515 0.018 . 1 . . . . 103 ARG CB . 18765 1 1154 . 1 1 103 103 ARG CG C 13 27.185 0.041 . 1 . . . . 103 ARG CG . 18765 1 1155 . 1 1 103 103 ARG CD C 13 43.642 0.000 . 1 . . . . 103 ARG CD . 18765 1 1156 . 1 1 103 103 ARG N N 15 127.679 0.108 . 1 . . . . 103 ARG N . 18765 1 stop_ save_