data_18137 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18137 _Entry.Title ; NMR assignment of the monomeric DUF59 domain of human Fam96a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-12 _Entry.Accession_date 2011-12-12 _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 Caroline Mas . . . 18137 2 Kai-En Chen . . . 18137 3 Ian Brereton . M. . 18137 4 Jennifer Martin . L. . 18137 5 Justine Hill . M. . 18137 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18137 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 18137 '15N chemical shifts' 105 18137 '1H chemical shifts' 103 18137 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 . . 2014-02-26 2011-12-12 update BMRB 'update entry citation' 18137 1 . . 2012-01-09 2011-12-12 original author 'original release' 18137 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18137 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22618863 _Citation.Full_citation . _Citation.Title 'Backbone resonance assignments of the monomeric DUF59 domain of human Fam96a.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _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 117 _Citation.Page_last 120 _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 Caroline Mas . . . 18137 1 2 Kai-En Chen . . . 18137 1 3 Ian Brereton . M. . 18137 1 4 Jennifer Martin . L. . 18137 1 5 Justine Hill . M. . 18137 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18137 _Assembly.ID 1 _Assembly.Name Fam96a _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Fam96a 1 $Fam96a A . yes native no no . . . 18137 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Fam96a _Entity.Sf_category entity _Entity.Sf_framecode Fam96a _Entity.Entry_ID 18137 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Fam96a _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 ; SNARIMEEKALEVYDLIRTI RDPEKPNTLEELEVVSESCV EVQEINEEEYLVIIRFTPTV PHCSLATLIGLCLRVKLQRC LPFKHKLEIYISEGTHSTEE DINKQINDKERVAAAMENPN LREIVEQCVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _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 yes UNP Q9H5X1 . "MIP18 family protein FAM96A" . . . . . . . . . . . . . . 18137 1 2 no BMRB 18548 . Fam96a . . . . . 97.69 143 100.00 100.00 1.81e-83 . . . . 18137 1 3 no PDB 2M5H . "Nmr Structure Note: Solution Structure Of Monomeric Human Fam96a" . . . . . 97.69 139 100.00 100.00 2.09e-83 . . . . 18137 1 4 no PDB 3UX2 . "Crystal Structure Of Domain-Swapped Fam96a Major Dimer" . . . . . 100.00 130 98.46 98.46 5.64e-84 . . . . 18137 1 5 no PDB 3UX3 . "Crystal Structure Of Domain-Swapped Fam96a Minor Dimer" . . . . . 100.00 130 100.00 100.00 3.76e-86 . . . . 18137 1 6 no DBJ BAB15496 . "unnamed protein product [Homo sapiens]" . . . . . 97.69 160 100.00 100.00 6.58e-84 . . . . 18137 1 7 no DBJ BAG35105 . "unnamed protein product [Homo sapiens]" . . . . . 97.69 160 100.00 100.00 6.58e-84 . . . . 18137 1 8 no DBJ BAH14131 . "unnamed protein product [Homo sapiens]" . . . . . 50.77 102 100.00 100.00 3.17e-36 . . . . 18137 1 9 no GB AAH08865 . "Family with sequence similarity 96, member A [Homo sapiens]" . . . . . 97.69 160 100.00 100.00 6.58e-84 . . . . 18137 1 10 no GB AAI02257 . "Family with sequence similarity 96, member A [Bos taurus]" . . . . . 97.69 160 97.64 100.00 1.51e-82 . . . . 18137 1 11 no GB AAI51429 . "Family with sequence similarity 96, member A [Bos taurus]" . . . . . 97.69 160 97.64 100.00 1.35e-82 . . . . 18137 1 12 no GB ABQ82139 . "FAM96A [Equus caballus]" . . . . . 97.69 160 97.64 99.21 1.43e-82 . . . . 18137 1 13 no GB AIC57308 . "FAM96A, partial [synthetic construct]" . . . . . 97.69 160 100.00 100.00 6.58e-84 . . . . 18137 1 14 no REF NP_001014812 . "MIP18 family protein FAM96A isoform b precursor [Homo sapiens]" . . . . . 50.77 102 100.00 100.00 3.17e-36 . . . . 18137 1 15 no REF NP_001030282 . "MIP18 family protein FAM96A precursor [Bos taurus]" . . . . . 97.69 160 97.64 100.00 1.51e-82 . . . . 18137 1 16 no REF NP_001092912 . "MIP18 family protein FAM96A precursor [Equus caballus]" . . . . . 97.69 160 97.64 99.21 1.43e-82 . . . . 18137 1 17 no REF NP_001276037 . "MIP18 family protein FAM96A isoform b precursor [Homo sapiens]" . . . . . 50.77 102 100.00 100.00 3.17e-36 . . . . 18137 1 18 no REF NP_115607 . "MIP18 family protein FAM96A isoform a precursor [Homo sapiens]" . . . . . 97.69 160 100.00 100.00 6.58e-84 . . . . 18137 1 19 no SP Q3T0U7 . "RecName: Full=MIP18 family protein FAM96A" . . . . . 97.69 160 97.64 100.00 1.51e-82 . . . . 18137 1 20 no SP Q9H5X1 . "RecName: Full=MIP18 family protein FAM96A" . . . . . 97.69 160 100.00 100.00 6.58e-84 . . . . 18137 1 21 no TPG DAA25322 . "TPA: family with sequence similarity 96, member A [Bos taurus]" . . . . . 97.69 160 97.64 100.00 1.35e-82 . . . . 18137 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 . SER . 18137 1 2 . ASN . 18137 1 3 . ALA . 18137 1 4 . ARG . 18137 1 5 . ILE . 18137 1 6 . MET . 18137 1 7 . GLU . 18137 1 8 . GLU . 18137 1 9 . LYS . 18137 1 10 . ALA . 18137 1 11 . LEU . 18137 1 12 . GLU . 18137 1 13 . VAL . 18137 1 14 . TYR . 18137 1 15 . ASP . 18137 1 16 . LEU . 18137 1 17 . ILE . 18137 1 18 . ARG . 18137 1 19 . THR . 18137 1 20 . ILE . 18137 1 21 . ARG . 18137 1 22 . ASP . 18137 1 23 . PRO . 18137 1 24 . GLU . 18137 1 25 . LYS . 18137 1 26 . PRO . 18137 1 27 . ASN . 18137 1 28 . THR . 18137 1 29 . LEU . 18137 1 30 . GLU . 18137 1 31 . GLU . 18137 1 32 . LEU . 18137 1 33 . GLU . 18137 1 34 . VAL . 18137 1 35 . VAL . 18137 1 36 . SER . 18137 1 37 . GLU . 18137 1 38 . SER . 18137 1 39 . CYS . 18137 1 40 . VAL . 18137 1 41 . GLU . 18137 1 42 . VAL . 18137 1 43 . GLN . 18137 1 44 . GLU . 18137 1 45 . ILE . 18137 1 46 . ASN . 18137 1 47 . GLU . 18137 1 48 . GLU . 18137 1 49 . GLU . 18137 1 50 . TYR . 18137 1 51 . LEU . 18137 1 52 . VAL . 18137 1 53 . ILE . 18137 1 54 . ILE . 18137 1 55 . ARG . 18137 1 56 . PHE . 18137 1 57 . THR . 18137 1 58 . PRO . 18137 1 59 . THR . 18137 1 60 . VAL . 18137 1 61 . PRO . 18137 1 62 . HIS . 18137 1 63 . CYS . 18137 1 64 . SER . 18137 1 65 . LEU . 18137 1 66 . ALA . 18137 1 67 . THR . 18137 1 68 . LEU . 18137 1 69 . ILE . 18137 1 70 . GLY . 18137 1 71 . LEU . 18137 1 72 . CYS . 18137 1 73 . LEU . 18137 1 74 . ARG . 18137 1 75 . VAL . 18137 1 76 . LYS . 18137 1 77 . LEU . 18137 1 78 . GLN . 18137 1 79 . ARG . 18137 1 80 . CYS . 18137 1 81 . LEU . 18137 1 82 . PRO . 18137 1 83 . PHE . 18137 1 84 . LYS . 18137 1 85 . HIS . 18137 1 86 . LYS . 18137 1 87 . LEU . 18137 1 88 . GLU . 18137 1 89 . ILE . 18137 1 90 . TYR . 18137 1 91 . ILE . 18137 1 92 . SER . 18137 1 93 . GLU . 18137 1 94 . GLY . 18137 1 95 . THR . 18137 1 96 . HIS . 18137 1 97 . SER . 18137 1 98 . THR . 18137 1 99 . GLU . 18137 1 100 . GLU . 18137 1 101 . ASP . 18137 1 102 . ILE . 18137 1 103 . ASN . 18137 1 104 . LYS . 18137 1 105 . GLN . 18137 1 106 . ILE . 18137 1 107 . ASN . 18137 1 108 . ASP . 18137 1 109 . LYS . 18137 1 110 . GLU . 18137 1 111 . ARG . 18137 1 112 . VAL . 18137 1 113 . ALA . 18137 1 114 . ALA . 18137 1 115 . ALA . 18137 1 116 . MET . 18137 1 117 . GLU . 18137 1 118 . ASN . 18137 1 119 . PRO . 18137 1 120 . ASN . 18137 1 121 . LEU . 18137 1 122 . ARG . 18137 1 123 . GLU . 18137 1 124 . ILE . 18137 1 125 . VAL . 18137 1 126 . GLU . 18137 1 127 . GLN . 18137 1 128 . CYS . 18137 1 129 . VAL . 18137 1 130 . LEU . 18137 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 . SER 1 1 18137 1 . ASN 2 2 18137 1 . ALA 3 3 18137 1 . ARG 4 4 18137 1 . ILE 5 5 18137 1 . MET 6 6 18137 1 . GLU 7 7 18137 1 . GLU 8 8 18137 1 . LYS 9 9 18137 1 . ALA 10 10 18137 1 . LEU 11 11 18137 1 . GLU 12 12 18137 1 . VAL 13 13 18137 1 . TYR 14 14 18137 1 . ASP 15 15 18137 1 . LEU 16 16 18137 1 . ILE 17 17 18137 1 . ARG 18 18 18137 1 . THR 19 19 18137 1 . ILE 20 20 18137 1 . ARG 21 21 18137 1 . ASP 22 22 18137 1 . PRO 23 23 18137 1 . GLU 24 24 18137 1 . LYS 25 25 18137 1 . PRO 26 26 18137 1 . ASN 27 27 18137 1 . THR 28 28 18137 1 . LEU 29 29 18137 1 . GLU 30 30 18137 1 . GLU 31 31 18137 1 . LEU 32 32 18137 1 . GLU 33 33 18137 1 . VAL 34 34 18137 1 . VAL 35 35 18137 1 . SER 36 36 18137 1 . GLU 37 37 18137 1 . SER 38 38 18137 1 . CYS 39 39 18137 1 . VAL 40 40 18137 1 . GLU 41 41 18137 1 . VAL 42 42 18137 1 . GLN 43 43 18137 1 . GLU 44 44 18137 1 . ILE 45 45 18137 1 . ASN 46 46 18137 1 . GLU 47 47 18137 1 . GLU 48 48 18137 1 . GLU 49 49 18137 1 . TYR 50 50 18137 1 . LEU 51 51 18137 1 . VAL 52 52 18137 1 . ILE 53 53 18137 1 . ILE 54 54 18137 1 . ARG 55 55 18137 1 . PHE 56 56 18137 1 . THR 57 57 18137 1 . PRO 58 58 18137 1 . THR 59 59 18137 1 . VAL 60 60 18137 1 . PRO 61 61 18137 1 . HIS 62 62 18137 1 . CYS 63 63 18137 1 . SER 64 64 18137 1 . LEU 65 65 18137 1 . ALA 66 66 18137 1 . THR 67 67 18137 1 . LEU 68 68 18137 1 . ILE 69 69 18137 1 . GLY 70 70 18137 1 . LEU 71 71 18137 1 . CYS 72 72 18137 1 . LEU 73 73 18137 1 . ARG 74 74 18137 1 . VAL 75 75 18137 1 . LYS 76 76 18137 1 . LEU 77 77 18137 1 . GLN 78 78 18137 1 . ARG 79 79 18137 1 . CYS 80 80 18137 1 . LEU 81 81 18137 1 . PRO 82 82 18137 1 . PHE 83 83 18137 1 . LYS 84 84 18137 1 . HIS 85 85 18137 1 . LYS 86 86 18137 1 . LEU 87 87 18137 1 . GLU 88 88 18137 1 . ILE 89 89 18137 1 . TYR 90 90 18137 1 . ILE 91 91 18137 1 . SER 92 92 18137 1 . GLU 93 93 18137 1 . GLY 94 94 18137 1 . THR 95 95 18137 1 . HIS 96 96 18137 1 . SER 97 97 18137 1 . THR 98 98 18137 1 . GLU 99 99 18137 1 . GLU 100 100 18137 1 . ASP 101 101 18137 1 . ILE 102 102 18137 1 . ASN 103 103 18137 1 . LYS 104 104 18137 1 . GLN 105 105 18137 1 . ILE 106 106 18137 1 . ASN 107 107 18137 1 . ASP 108 108 18137 1 . LYS 109 109 18137 1 . GLU 110 110 18137 1 . ARG 111 111 18137 1 . VAL 112 112 18137 1 . ALA 113 113 18137 1 . ALA 114 114 18137 1 . ALA 115 115 18137 1 . MET 116 116 18137 1 . GLU 117 117 18137 1 . ASN 118 118 18137 1 . PRO 119 119 18137 1 . ASN 120 120 18137 1 . LEU 121 121 18137 1 . ARG 122 122 18137 1 . GLU 123 123 18137 1 . ILE 124 124 18137 1 . VAL 125 125 18137 1 . GLU 126 126 18137 1 . GLN 127 127 18137 1 . CYS 128 128 18137 1 . VAL 129 129 18137 1 . LEU 130 130 18137 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 18137 _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 $Fam96a . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18137 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 18137 _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 $Fam96a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pMCSG7 . . . . . . 18137 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18137 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Fam96a '[U-100% 13C; U-100% 15N]' . . 1 $Fam96a . . 0.8 . . mM . . . . 18137 1 2 'Hepes buffer' 'natural abundance' . . . . . . 25 . . mM . . . . 18137 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18137 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18137 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 18137 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Hepes buffer 25mM pH7 NaCl 150 mM DTT 2 mM ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 18137 1 pH 7 . pH 18137 1 pressure 1 . atm 18137 1 temperature 298 . K 18137 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18137 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18137 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18137 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18137 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18137 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18137 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18137 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18137 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18137 3 stop_ save_ save_CCcpNMR _Software.Sf_category software _Software.Sf_framecode CCcpNMR _Software.Entry_ID 18137 _Software.ID 4 _Software.Name CCcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18137 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18137 4 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 18137 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18137 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 18137 _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 . 750 . . . 18137 1 2 spectrometer_2 Bruker Avance . 900 . . . 18137 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 18137 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18137 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18137 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18137 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18137 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18137 1 6 '3D CC-TOCSY-CONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18137 1 stop_ 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 18137 _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 . . . . . . . . . 18137 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18137 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18137 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 18137 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 18137 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 18137 1 2 '3D CBCA(CO)NH' . . . 18137 1 3 '3D HNCACB' . . . 18137 1 4 '3D HNCO' . . . 18137 1 5 '3D HN(CO)CA' . . . 18137 1 6 '3D CC-TOCSY-CONH' . . . 18137 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ALA C C 13 178.789 0.011 . 1 . . . . 3 ALA C . 18137 1 2 . 1 1 3 3 ALA CA C 13 54.320 0.023 . 1 . . . . 3 ALA CA . 18137 1 3 . 1 1 3 3 ALA CB C 13 18.970 0.037 . 1 . . . . 3 ALA CB . 18137 1 4 . 1 1 4 4 ARG H H 1 8.300 0.009 . 1 . . . . 4 ARG H . 18137 1 5 . 1 1 4 4 ARG C C 13 177.713 0.017 . 1 . . . . 4 ARG C . 18137 1 6 . 1 1 4 4 ARG CA C 13 57.719 0.027 . 1 . . . . 4 ARG CA . 18137 1 7 . 1 1 4 4 ARG CB C 13 29.934 0.049 . 1 . . . . 4 ARG CB . 18137 1 8 . 1 1 4 4 ARG CG C 13 26.918 0.100 . 1 . . . . 4 ARG CG . 18137 1 9 . 1 1 4 4 ARG CD C 13 43.110 0.100 . 1 . . . . 4 ARG CD . 18137 1 10 . 1 1 4 4 ARG N N 15 119.140 0.031 . 1 . . . . 4 ARG N . 18137 1 11 . 1 1 5 5 ILE H H 1 7.857 0.005 . 1 . . . . 5 ILE H . 18137 1 12 . 1 1 5 5 ILE C C 13 177.829 0.029 . 1 . . . . 5 ILE C . 18137 1 13 . 1 1 5 5 ILE CA C 13 63.114 0.052 . 1 . . . . 5 ILE CA . 18137 1 14 . 1 1 5 5 ILE CB C 13 37.730 0.048 . 1 . . . . 5 ILE CB . 18137 1 15 . 1 1 5 5 ILE CG1 C 13 28.206 0.100 . 1 . . . . 5 ILE CG1 . 18137 1 16 . 1 1 5 5 ILE CG2 C 13 17.580 0.100 . 1 . . . . 5 ILE CG2 . 18137 1 17 . 1 1 5 5 ILE CD1 C 13 12.638 0.100 . 1 . . . . 5 ILE CD1 . 18137 1 18 . 1 1 5 5 ILE N N 15 120.575 0.017 . 1 . . . . 5 ILE N . 18137 1 19 . 1 1 6 6 MET H H 1 8.156 0.022 . 1 . . . . 6 MET H . 18137 1 20 . 1 1 6 6 MET C C 13 178.597 0.061 . 1 . . . . 6 MET C . 18137 1 21 . 1 1 6 6 MET CA C 13 56.927 0.066 . 1 . . . . 6 MET CA . 18137 1 22 . 1 1 6 6 MET CB C 13 31.839 0.015 . 1 . . . . 6 MET CB . 18137 1 23 . 1 1 6 6 MET CG C 13 33.158 0.100 . 1 . . . . 6 MET CG . 18137 1 24 . 1 1 6 6 MET N N 15 120.445 0.168 . 1 . . . . 6 MET N . 18137 1 25 . 1 1 7 7 GLU H H 1 8.232 0.019 . 1 . . . . 7 GLU H . 18137 1 26 . 1 1 7 7 GLU C C 13 178.797 0.027 . 1 . . . . 7 GLU C . 18137 1 27 . 1 1 7 7 GLU CA C 13 59.542 0.034 . 1 . . . . 7 GLU CA . 18137 1 28 . 1 1 7 7 GLU CB C 13 29.626 0.016 . 1 . . . . 7 GLU CB . 18137 1 29 . 1 1 7 7 GLU CG C 13 36.487 0.100 . 1 . . . . 7 GLU CG . 18137 1 30 . 1 1 7 7 GLU N N 15 122.098 0.027 . 1 . . . . 7 GLU N . 18137 1 31 . 1 1 8 8 GLU H H 1 8.273 0.008 . 1 . . . . 8 GLU H . 18137 1 32 . 1 1 8 8 GLU C C 13 180.081 0.008 . 1 . . . . 8 GLU C . 18137 1 33 . 1 1 8 8 GLU CA C 13 59.744 0.059 . 1 . . . . 8 GLU CA . 18137 1 34 . 1 1 8 8 GLU CB C 13 29.276 0.067 . 1 . . . . 8 GLU CB . 18137 1 35 . 1 1 8 8 GLU CG C 13 36.552 0.100 . 1 . . . . 8 GLU CG . 18137 1 36 . 1 1 8 8 GLU N N 15 119.820 0.109 . 1 . . . . 8 GLU N . 18137 1 37 . 1 1 9 9 LYS H H 1 8.106 0.002 . 1 . . . . 9 LYS H . 18137 1 38 . 1 1 9 9 LYS C C 13 178.386 0.006 . 1 . . . . 9 LYS C . 18137 1 39 . 1 1 9 9 LYS CA C 13 58.679 0.083 . 1 . . . . 9 LYS CA . 18137 1 40 . 1 1 9 9 LYS CB C 13 32.231 0.005 . 1 . . . . 9 LYS CB . 18137 1 41 . 1 1 9 9 LYS CG C 13 24.823 0.100 . 1 . . . . 9 LYS CG . 18137 1 42 . 1 1 9 9 LYS CD C 13 27.688 0.100 . 1 . . . . 9 LYS CD . 18137 1 43 . 1 1 9 9 LYS N N 15 119.117 0.023 . 1 . . . . 9 LYS N . 18137 1 44 . 1 1 10 10 ALA H H 1 8.031 0.029 . 1 . . . . 10 ALA H . 18137 1 45 . 1 1 10 10 ALA C C 13 179.974 0.004 . 1 . . . . 10 ALA C . 18137 1 46 . 1 1 10 10 ALA CA C 13 55.654 0.025 . 1 . . . . 10 ALA CA . 18137 1 47 . 1 1 10 10 ALA CB C 13 17.829 0.024 . 1 . . . . 10 ALA CB . 18137 1 48 . 1 1 10 10 ALA N N 15 121.403 0.193 . 1 . . . . 10 ALA N . 18137 1 49 . 1 1 11 11 LEU H H 1 7.823 0.002 . 1 . . . . 11 LEU H . 18137 1 50 . 1 1 11 11 LEU C C 13 179.136 0.024 . 1 . . . . 11 LEU C . 18137 1 51 . 1 1 11 11 LEU CA C 13 57.916 0.019 . 1 . . . . 11 LEU CA . 18137 1 52 . 1 1 11 11 LEU CB C 13 41.311 0.080 . 1 . . . . 11 LEU CB . 18137 1 53 . 1 1 11 11 LEU CG C 13 26.958 0.100 . 1 . . . . 11 LEU CG . 18137 1 54 . 1 1 11 11 LEU CD1 C 13 23.255 0.100 . 2 . . . . 11 LEU CD1 . 18137 1 55 . 1 1 11 11 LEU CD2 C 13 24.777 0.100 . 2 . . . . 11 LEU CD2 . 18137 1 56 . 1 1 11 11 LEU N N 15 119.321 0.011 . 1 . . . . 11 LEU N . 18137 1 57 . 1 1 12 12 GLU H H 1 7.821 0.010 . 1 . . . . 12 GLU H . 18137 1 58 . 1 1 12 12 GLU C C 13 179.842 0.004 . 1 . . . . 12 GLU C . 18137 1 59 . 1 1 12 12 GLU CA C 13 59.617 0.058 . 1 . . . . 12 GLU CA . 18137 1 60 . 1 1 12 12 GLU CB C 13 29.748 0.032 . 1 . . . . 12 GLU CB . 18137 1 61 . 1 1 12 12 GLU CG C 13 36.296 0.100 . 1 . . . . 12 GLU CG . 18137 1 62 . 1 1 12 12 GLU N N 15 121.376 0.074 . 1 . . . . 12 GLU N . 18137 1 63 . 1 1 13 13 VAL H H 1 7.987 0.021 . 1 . . . . 13 VAL H . 18137 1 64 . 1 1 13 13 VAL C C 13 178.281 0.006 . 1 . . . . 13 VAL C . 18137 1 65 . 1 1 13 13 VAL CA C 13 66.587 0.002 . 1 . . . . 13 VAL CA . 18137 1 66 . 1 1 13 13 VAL CB C 13 31.642 0.020 . 1 . . . . 13 VAL CB . 18137 1 67 . 1 1 13 13 VAL CG2 C 13 22.931 0.100 . 1 . . . . 13 VAL CG2 . 18137 1 68 . 1 1 13 13 VAL N N 15 117.705 0.147 . 1 . . . . 13 VAL N . 18137 1 69 . 1 1 14 14 TYR H H 1 8.805 0.005 . 1 . . . . 14 TYR H . 18137 1 70 . 1 1 14 14 TYR C C 13 176.505 0.007 . 1 . . . . 14 TYR C . 18137 1 71 . 1 1 14 14 TYR CA C 13 62.225 0.015 . 1 . . . . 14 TYR CA . 18137 1 72 . 1 1 14 14 TYR CB C 13 38.022 0.088 . 1 . . . . 14 TYR CB . 18137 1 73 . 1 1 14 14 TYR N N 15 120.488 0.018 . 1 . . . . 14 TYR N . 18137 1 74 . 1 1 15 15 ASP H H 1 8.402 0.029 . 1 . . . . 15 ASP H . 18137 1 75 . 1 1 15 15 ASP C C 13 178.002 0.012 . 1 . . . . 15 ASP C . 18137 1 76 . 1 1 15 15 ASP CA C 13 57.244 0.019 . 1 . . . . 15 ASP CA . 18137 1 77 . 1 1 15 15 ASP CB C 13 40.777 0.079 . 1 . . . . 15 ASP CB . 18137 1 78 . 1 1 15 15 ASP N N 15 117.034 0.246 . 1 . . . . 15 ASP N . 18137 1 79 . 1 1 16 16 LEU H H 1 7.180 0.013 . 1 . . . . 16 LEU H . 18137 1 80 . 1 1 16 16 LEU C C 13 178.539 0.003 . 1 . . . . 16 LEU C . 18137 1 81 . 1 1 16 16 LEU CA C 13 56.621 0.050 . 1 . . . . 16 LEU CA . 18137 1 82 . 1 1 16 16 LEU CB C 13 43.921 0.088 . 1 . . . . 16 LEU CB . 18137 1 83 . 1 1 16 16 LEU CG C 13 26.852 0.100 . 1 . . . . 16 LEU CG . 18137 1 84 . 1 1 16 16 LEU CD2 C 13 23.401 0.100 . 1 . . . . 16 LEU CD2 . 18137 1 85 . 1 1 16 16 LEU N N 15 115.351 0.010 . 1 . . . . 16 LEU N . 18137 1 86 . 1 1 17 17 ILE C C 13 177.633 0.007 . 1 . . . . 17 ILE C . 18137 1 87 . 1 1 17 17 ILE CA C 13 62.744 0.044 . 1 . . . . 17 ILE CA . 18137 1 88 . 1 1 17 17 ILE CB C 13 38.064 0.043 . 1 . . . . 17 ILE CB . 18137 1 89 . 1 1 17 17 ILE CG2 C 13 18.251 0.100 . 1 . . . . 17 ILE CG2 . 18137 1 90 . 1 1 17 17 ILE N N 15 110.567 0.069 . 1 . . . . 17 ILE N . 18137 1 91 . 1 1 18 18 ARG H H 1 7.964 0.007 . 1 . . . . 18 ARG H . 18137 1 92 . 1 1 18 18 ARG C C 13 174.733 0.001 . 1 . . . . 18 ARG C . 18137 1 93 . 1 1 18 18 ARG CA C 13 58.445 0.035 . 1 . . . . 18 ARG CA . 18137 1 94 . 1 1 18 18 ARG CB C 13 27.945 0.068 . 1 . . . . 18 ARG CB . 18137 1 95 . 1 1 18 18 ARG CG C 13 25.930 0.100 . 1 . . . . 18 ARG CG . 18137 1 96 . 1 1 18 18 ARG CD C 13 44.085 0.100 . 1 . . . . 18 ARG CD . 18137 1 97 . 1 1 18 18 ARG N N 15 119.030 0.077 . 1 . . . . 18 ARG N . 18137 1 98 . 1 1 19 19 THR H H 1 6.674 0.005 . 1 . . . . 19 THR H . 18137 1 99 . 1 1 19 19 THR C C 13 175.424 0.010 . 1 . . . . 19 THR C . 18137 1 100 . 1 1 19 19 THR CA C 13 60.890 0.018 . 1 . . . . 19 THR CA . 18137 1 101 . 1 1 19 19 THR CB C 13 68.951 0.011 . 1 . . . . 19 THR CB . 18137 1 102 . 1 1 19 19 THR CG2 C 13 22.370 0.100 . 1 . . . . 19 THR CG2 . 18137 1 103 . 1 1 19 19 THR N N 15 102.778 0.022 . 1 . . . . 19 THR N . 18137 1 104 . 1 1 20 20 ILE H H 1 7.095 0.004 . 1 . . . . 20 ILE H . 18137 1 105 . 1 1 20 20 ILE C C 13 174.923 0.011 . 1 . . . . 20 ILE C . 18137 1 106 . 1 1 20 20 ILE CA C 13 63.024 0.017 . 1 . . . . 20 ILE CA . 18137 1 107 . 1 1 20 20 ILE CB C 13 38.409 0.010 . 1 . . . . 20 ILE CB . 18137 1 108 . 1 1 20 20 ILE CG1 C 13 29.899 0.100 . 1 . . . . 20 ILE CG1 . 18137 1 109 . 1 1 20 20 ILE CG2 C 13 17.202 0.100 . 1 . . . . 20 ILE CG2 . 18137 1 110 . 1 1 20 20 ILE CD1 C 13 14.647 0.100 . 1 . . . . 20 ILE CD1 . 18137 1 111 . 1 1 20 20 ILE N N 15 124.741 0.029 . 1 . . . . 20 ILE N . 18137 1 112 . 1 1 21 21 ARG H H 1 8.403 0.005 . 1 . . . . 21 ARG H . 18137 1 113 . 1 1 21 21 ARG C C 13 175.071 0.022 . 1 . . . . 21 ARG C . 18137 1 114 . 1 1 21 21 ARG CA C 13 56.090 0.082 . 1 . . . . 21 ARG CA . 18137 1 115 . 1 1 21 21 ARG CB C 13 31.248 0.065 . 1 . . . . 21 ARG CB . 18137 1 116 . 1 1 21 21 ARG CG C 13 27.763 0.100 . 1 . . . . 21 ARG CG . 18137 1 117 . 1 1 21 21 ARG CD C 13 43.259 0.100 . 1 . . . . 21 ARG CD . 18137 1 118 . 1 1 21 21 ARG N N 15 127.675 0.043 . 1 . . . . 21 ARG N . 18137 1 119 . 1 1 22 22 ASP H H 1 8.173 0.018 . 1 . . . . 22 ASP H . 18137 1 120 . 1 1 22 22 ASP C C 13 174.776 0.100 . 1 . . . . 22 ASP C . 18137 1 121 . 1 1 22 22 ASP CA C 13 53.729 0.100 . 1 . . . . 22 ASP CA . 18137 1 122 . 1 1 22 22 ASP CB C 13 44.486 0.100 . 1 . . . . 22 ASP CB . 18137 1 123 . 1 1 22 22 ASP N N 15 122.546 0.226 . 1 . . . . 22 ASP N . 18137 1 124 . 1 1 26 26 PRO C C 13 175.264 0.004 . 1 . . . . 26 PRO C . 18137 1 125 . 1 1 26 26 PRO CA C 13 62.301 0.100 . 1 . . . . 26 PRO CA . 18137 1 126 . 1 1 26 26 PRO CB C 13 28.229 0.100 . 1 . . . . 26 PRO CB . 18137 1 127 . 1 1 26 26 PRO CG C 13 27.179 0.100 . 1 . . . . 26 PRO CG . 18137 1 128 . 1 1 26 26 PRO CD C 13 49.406 0.100 . 1 . . . . 26 PRO CD . 18137 1 129 . 1 1 27 27 ASN H H 1 8.404 0.006 . 1 . . . . 27 ASN H . 18137 1 130 . 1 1 27 27 ASN C C 13 173.632 0.001 . 1 . . . . 27 ASN C . 18137 1 131 . 1 1 27 27 ASN CA C 13 53.564 0.049 . 1 . . . . 27 ASN CA . 18137 1 132 . 1 1 27 27 ASN CB C 13 45.671 0.096 . 1 . . . . 27 ASN CB . 18137 1 133 . 1 1 27 27 ASN N N 15 118.871 0.297 . 1 . . . . 27 ASN N . 18137 1 134 . 1 1 28 28 THR H H 1 8.770 0.005 . 1 . . . . 28 THR H . 18137 1 135 . 1 1 28 28 THR C C 13 176.454 0.007 . 1 . . . . 28 THR C . 18137 1 136 . 1 1 28 28 THR CA C 13 60.356 0.077 . 1 . . . . 28 THR CA . 18137 1 137 . 1 1 28 28 THR CB C 13 71.620 0.070 . 1 . . . . 28 THR CB . 18137 1 138 . 1 1 28 28 THR CG2 C 13 21.929 0.100 . 1 . . . . 28 THR CG2 . 18137 1 139 . 1 1 28 28 THR N N 15 109.001 0.021 . 1 . . . . 28 THR N . 18137 1 140 . 1 1 29 29 LEU H H 1 9.030 0.004 . 1 . . . . 29 LEU H . 18137 1 141 . 1 1 29 29 LEU C C 13 179.897 0.011 . 1 . . . . 29 LEU C . 18137 1 142 . 1 1 29 29 LEU CA C 13 57.684 0.022 . 1 . . . . 29 LEU CA . 18137 1 143 . 1 1 29 29 LEU CB C 13 42.050 0.029 . 1 . . . . 29 LEU CB . 18137 1 144 . 1 1 29 29 LEU CG C 13 25.928 0.100 . 1 . . . . 29 LEU CG . 18137 1 145 . 1 1 29 29 LEU CD2 C 13 20.075 0.100 . 1 . . . . 29 LEU CD2 . 18137 1 146 . 1 1 29 29 LEU N N 15 115.732 0.022 . 1 . . . . 29 LEU N . 18137 1 147 . 1 1 30 30 GLU H H 1 7.696 0.009 . 1 . . . . 30 GLU H . 18137 1 148 . 1 1 30 30 GLU C C 13 180.126 0.011 . 1 . . . . 30 GLU C . 18137 1 149 . 1 1 30 30 GLU CA C 13 59.249 0.007 . 1 . . . . 30 GLU CA . 18137 1 150 . 1 1 30 30 GLU CB C 13 30.816 0.054 . 1 . . . . 30 GLU CB . 18137 1 151 . 1 1 30 30 GLU CG C 13 35.913 0.100 . 1 . . . . 30 GLU CG . 18137 1 152 . 1 1 30 30 GLU N N 15 117.535 0.029 . 1 . . . . 30 GLU N . 18137 1 153 . 1 1 31 31 GLU H H 1 8.044 0.003 . 1 . . . . 31 GLU H . 18137 1 154 . 1 1 31 31 GLU C C 13 178.647 0.005 . 1 . . . . 31 GLU C . 18137 1 155 . 1 1 31 31 GLU CA C 13 59.370 0.034 . 1 . . . . 31 GLU CA . 18137 1 156 . 1 1 31 31 GLU CB C 13 30.043 0.057 . 1 . . . . 31 GLU CB . 18137 1 157 . 1 1 31 31 GLU CG C 13 37.534 0.100 . 1 . . . . 31 GLU CG . 18137 1 158 . 1 1 31 31 GLU N N 15 123.185 0.027 . 1 . . . . 31 GLU N . 18137 1 159 . 1 1 32 32 LEU H H 1 7.483 0.005 . 1 . . . . 32 LEU H . 18137 1 160 . 1 1 32 32 LEU C C 13 175.605 0.026 . 1 . . . . 32 LEU C . 18137 1 161 . 1 1 32 32 LEU CA C 13 54.412 0.043 . 1 . . . . 32 LEU CA . 18137 1 162 . 1 1 32 32 LEU CB C 13 43.090 0.075 . 1 . . . . 32 LEU CB . 18137 1 163 . 1 1 32 32 LEU CG C 13 27.225 0.100 . 1 . . . . 32 LEU CG . 18137 1 164 . 1 1 32 32 LEU CD1 C 13 21.451 0.100 . 2 . . . . 32 LEU CD1 . 18137 1 165 . 1 1 32 32 LEU CD2 C 13 26.627 0.100 . 2 . . . . 32 LEU CD2 . 18137 1 166 . 1 1 32 32 LEU N N 15 114.982 0.026 . 1 . . . . 32 LEU N . 18137 1 167 . 1 1 33 33 GLU H H 1 8.023 0.013 . 1 . . . . 33 GLU H . 18137 1 168 . 1 1 33 33 GLU C C 13 175.632 0.021 . 1 . . . . 33 GLU C . 18137 1 169 . 1 1 33 33 GLU CA C 13 58.002 0.030 . 1 . . . . 33 GLU CA . 18137 1 170 . 1 1 33 33 GLU CB C 13 26.630 0.011 . 1 . . . . 33 GLU CB . 18137 1 171 . 1 1 33 33 GLU CG C 13 37.244 0.100 . 1 . . . . 33 GLU CG . 18137 1 172 . 1 1 33 33 GLU N N 15 114.049 0.126 . 1 . . . . 33 GLU N . 18137 1 173 . 1 1 34 34 VAL H H 1 8.456 0.014 . 1 . . . . 34 VAL H . 18137 1 174 . 1 1 34 34 VAL C C 13 177.354 0.009 . 1 . . . . 34 VAL C . 18137 1 175 . 1 1 34 34 VAL CA C 13 63.589 0.020 . 1 . . . . 34 VAL CA . 18137 1 176 . 1 1 34 34 VAL CB C 13 32.973 0.003 . 1 . . . . 34 VAL CB . 18137 1 177 . 1 1 34 34 VAL CG2 C 13 22.589 0.100 . 1 . . . . 34 VAL CG2 . 18137 1 178 . 1 1 34 34 VAL N N 15 119.804 0.186 . 1 . . . . 34 VAL N . 18137 1 179 . 1 1 35 35 VAL H H 1 6.947 0.004 . 1 . . . . 35 VAL H . 18137 1 180 . 1 1 35 35 VAL C C 13 173.164 0.003 . 1 . . . . 35 VAL C . 18137 1 181 . 1 1 35 35 VAL CA C 13 58.156 0.053 . 1 . . . . 35 VAL CA . 18137 1 182 . 1 1 35 35 VAL CB C 13 35.517 0.009 . 1 . . . . 35 VAL CB . 18137 1 183 . 1 1 35 35 VAL CG1 C 13 17.713 0.100 . 2 . . . . 35 VAL CG1 . 18137 1 184 . 1 1 35 35 VAL CG2 C 13 21.743 0.100 . 2 . . . . 35 VAL CG2 . 18137 1 185 . 1 1 35 35 VAL N N 15 104.527 0.024 . 1 . . . . 35 VAL N . 18137 1 186 . 1 1 36 36 SER H H 1 7.931 0.003 . 1 . . . . 36 SER H . 18137 1 187 . 1 1 36 36 SER C C 13 174.789 0.007 . 1 . . . . 36 SER C . 18137 1 188 . 1 1 36 36 SER CA C 13 57.655 0.065 . 1 . . . . 36 SER CA . 18137 1 189 . 1 1 36 36 SER CB C 13 65.640 0.034 . 1 . . . . 36 SER CB . 18137 1 190 . 1 1 36 36 SER N N 15 113.575 0.020 . 1 . . . . 36 SER N . 18137 1 191 . 1 1 37 37 GLU H H 1 9.072 0.003 . 1 . . . . 37 GLU H . 18137 1 192 . 1 1 37 37 GLU C C 13 177.361 0.011 . 1 . . . . 37 GLU C . 18137 1 193 . 1 1 37 37 GLU CA C 13 60.318 0.039 . 1 . . . . 37 GLU CA . 18137 1 194 . 1 1 37 37 GLU CB C 13 29.266 0.094 . 1 . . . . 37 GLU CB . 18137 1 195 . 1 1 37 37 GLU CG C 13 36.499 0.100 . 1 . . . . 37 GLU CG . 18137 1 196 . 1 1 37 37 GLU N N 15 123.170 0.040 . 1 . . . . 37 GLU N . 18137 1 197 . 1 1 38 38 SER H H 1 7.756 0.003 . 1 . . . . 38 SER H . 18137 1 198 . 1 1 38 38 SER C C 13 175.284 0.100 . 1 . . . . 38 SER C . 18137 1 199 . 1 1 38 38 SER CA C 13 59.132 0.016 . 1 . . . . 38 SER CA . 18137 1 200 . 1 1 38 38 SER CB C 13 63.262 0.071 . 1 . . . . 38 SER CB . 18137 1 201 . 1 1 38 38 SER N N 15 109.685 0.039 . 1 . . . . 38 SER N . 18137 1 202 . 1 1 39 39 CYS H H 1 7.971 0.019 . 1 . . . . 39 CYS H . 18137 1 203 . 1 1 39 39 CYS C C 13 172.727 0.006 . 1 . . . . 39 CYS C . 18137 1 204 . 1 1 39 39 CYS CA C 13 59.757 0.043 . 1 . . . . 39 CYS CA . 18137 1 205 . 1 1 39 39 CYS CB C 13 28.177 0.056 . 1 . . . . 39 CYS CB . 18137 1 206 . 1 1 39 39 CYS N N 15 120.145 0.158 . 1 . . . . 39 CYS N . 18137 1 207 . 1 1 40 40 VAL H H 1 7.109 0.005 . 1 . . . . 40 VAL H . 18137 1 208 . 1 1 40 40 VAL C C 13 174.078 0.020 . 1 . . . . 40 VAL C . 18137 1 209 . 1 1 40 40 VAL CA C 13 61.113 0.035 . 1 . . . . 40 VAL CA . 18137 1 210 . 1 1 40 40 VAL CB C 13 34.077 0.011 . 1 . . . . 40 VAL CB . 18137 1 211 . 1 1 40 40 VAL CG2 C 13 22.033 0.100 . 1 . . . . 40 VAL CG2 . 18137 1 212 . 1 1 40 40 VAL N N 15 120.125 0.031 . 1 . . . . 40 VAL N . 18137 1 213 . 1 1 41 41 GLU H H 1 9.261 0.003 . 1 . . . . 41 GLU H . 18137 1 214 . 1 1 41 41 GLU C C 13 174.124 0.023 . 1 . . . . 41 GLU C . 18137 1 215 . 1 1 41 41 GLU CA C 13 55.060 0.047 . 1 . . . . 41 GLU CA . 18137 1 216 . 1 1 41 41 GLU CB C 13 33.671 0.052 . 1 . . . . 41 GLU CB . 18137 1 217 . 1 1 41 41 GLU CG C 13 36.479 0.100 . 1 . . . . 41 GLU CG . 18137 1 218 . 1 1 41 41 GLU N N 15 128.075 0.015 . 1 . . . . 41 GLU N . 18137 1 219 . 1 1 42 42 VAL H H 1 8.695 0.003 . 1 . . . . 42 VAL H . 18137 1 220 . 1 1 42 42 VAL C C 13 174.559 0.005 . 1 . . . . 42 VAL C . 18137 1 221 . 1 1 42 42 VAL CA C 13 60.695 0.024 . 1 . . . . 42 VAL CA . 18137 1 222 . 1 1 42 42 VAL CB C 13 34.351 0.052 . 1 . . . . 42 VAL CB . 18137 1 223 . 1 1 42 42 VAL CG2 C 13 22.099 0.100 . 1 . . . . 42 VAL CG2 . 18137 1 224 . 1 1 42 42 VAL N N 15 123.930 0.022 . 1 . . . . 42 VAL N . 18137 1 225 . 1 1 43 43 GLN H H 1 9.375 0.004 . 1 . . . . 43 GLN H . 18137 1 226 . 1 1 43 43 GLN C C 13 175.243 0.008 . 1 . . . . 43 GLN C . 18137 1 227 . 1 1 43 43 GLN CA C 13 53.684 0.030 . 1 . . . . 43 GLN CA . 18137 1 228 . 1 1 43 43 GLN CB C 13 32.733 0.055 . 1 . . . . 43 GLN CB . 18137 1 229 . 1 1 43 43 GLN CG C 13 33.033 0.100 . 1 . . . . 43 GLN CG . 18137 1 230 . 1 1 43 43 GLN N N 15 123.559 0.012 . 1 . . . . 43 GLN N . 18137 1 231 . 1 1 44 44 GLU H H 1 9.071 0.003 . 1 . . . . 44 GLU H . 18137 1 232 . 1 1 44 44 GLU C C 13 176.460 0.011 . 1 . . . . 44 GLU C . 18137 1 233 . 1 1 44 44 GLU CA C 13 57.254 0.008 . 1 . . . . 44 GLU CA . 18137 1 234 . 1 1 44 44 GLU CB C 13 31.106 0.020 . 1 . . . . 44 GLU CB . 18137 1 235 . 1 1 44 44 GLU CG C 13 36.850 0.100 . 1 . . . . 44 GLU CG . 18137 1 236 . 1 1 44 44 GLU N N 15 124.783 0.036 . 1 . . . . 44 GLU N . 18137 1 237 . 1 1 45 45 ILE H H 1 8.316 0.020 . 1 . . . . 45 ILE H . 18137 1 238 . 1 1 45 45 ILE C C 13 175.811 0.003 . 1 . . . . 45 ILE C . 18137 1 239 . 1 1 45 45 ILE CA C 13 63.301 0.045 . 1 . . . . 45 ILE CA . 18137 1 240 . 1 1 45 45 ILE CB C 13 38.822 0.041 . 1 . . . . 45 ILE CB . 18137 1 241 . 1 1 45 45 ILE CG1 C 13 27.388 0.100 . 1 . . . . 45 ILE CG1 . 18137 1 242 . 1 1 45 45 ILE CG2 C 13 17.725 0.100 . 1 . . . . 45 ILE CG2 . 18137 1 243 . 1 1 45 45 ILE CD1 C 13 13.516 0.100 . 1 . . . . 45 ILE CD1 . 18137 1 244 . 1 1 45 45 ILE N N 15 125.075 0.016 . 1 . . . . 45 ILE N . 18137 1 245 . 1 1 46 46 ASN H H 1 8.069 0.013 . 1 . . . . 46 ASN H . 18137 1 246 . 1 1 46 46 ASN C C 13 173.839 0.005 . 1 . . . . 46 ASN C . 18137 1 247 . 1 1 46 46 ASN CA C 13 52.402 0.009 . 1 . . . . 46 ASN CA . 18137 1 248 . 1 1 46 46 ASN CB C 13 39.483 0.045 . 1 . . . . 46 ASN CB . 18137 1 249 . 1 1 46 46 ASN N N 15 116.765 0.151 . 1 . . . . 46 ASN N . 18137 1 250 . 1 1 47 47 GLU H H 1 8.664 0.012 . 1 . . . . 47 GLU H . 18137 1 251 . 1 1 47 47 GLU C C 13 176.543 0.008 . 1 . . . . 47 GLU C . 18137 1 252 . 1 1 47 47 GLU CA C 13 59.154 0.044 . 1 . . . . 47 GLU CA . 18137 1 253 . 1 1 47 47 GLU CB C 13 29.272 0.021 . 1 . . . . 47 GLU CB . 18137 1 254 . 1 1 47 47 GLU CG C 13 36.388 0.100 . 1 . . . . 47 GLU CG . 18137 1 255 . 1 1 47 47 GLU N N 15 116.895 0.116 . 1 . . . . 47 GLU N . 18137 1 256 . 1 1 48 48 GLU H H 1 8.703 0.005 . 1 . . . . 48 GLU H . 18137 1 257 . 1 1 48 48 GLU C C 13 174.329 0.005 . 1 . . . . 48 GLU C . 18137 1 258 . 1 1 48 48 GLU CA C 13 56.521 0.017 . 1 . . . . 48 GLU CA . 18137 1 259 . 1 1 48 48 GLU CB C 13 30.677 0.014 . 1 . . . . 48 GLU CB . 18137 1 260 . 1 1 48 48 GLU CG C 13 36.548 0.100 . 1 . . . . 48 GLU CG . 18137 1 261 . 1 1 48 48 GLU N N 15 117.168 0.011 . 1 . . . . 48 GLU N . 18137 1 262 . 1 1 49 49 GLU H H 1 7.473 0.004 . 1 . . . . 49 GLU H . 18137 1 263 . 1 1 49 49 GLU C C 13 174.266 0.001 . 1 . . . . 49 GLU C . 18137 1 264 . 1 1 49 49 GLU CA C 13 56.055 0.025 . 1 . . . . 49 GLU CA . 18137 1 265 . 1 1 49 49 GLU CB C 13 33.371 0.018 . 1 . . . . 49 GLU CB . 18137 1 266 . 1 1 49 49 GLU CG C 13 36.703 0.100 . 1 . . . . 49 GLU CG . 18137 1 267 . 1 1 49 49 GLU N N 15 119.285 0.310 . 1 . . . . 49 GLU N . 18137 1 268 . 1 1 50 50 TYR H H 1 8.082 0.016 . 1 . . . . 50 TYR H . 18137 1 269 . 1 1 50 50 TYR C C 13 174.106 0.008 . 1 . . . . 50 TYR C . 18137 1 270 . 1 1 50 50 TYR CA C 13 57.684 0.011 . 1 . . . . 50 TYR CA . 18137 1 271 . 1 1 50 50 TYR CB C 13 41.528 0.036 . 1 . . . . 50 TYR CB . 18137 1 272 . 1 1 50 50 TYR N N 15 122.260 0.179 . 1 . . . . 50 TYR N . 18137 1 273 . 1 1 51 51 LEU H H 1 9.562 0.003 . 1 . . . . 51 LEU H . 18137 1 274 . 1 1 51 51 LEU C C 13 174.454 0.013 . 1 . . . . 51 LEU C . 18137 1 275 . 1 1 51 51 LEU CA C 13 54.054 0.041 . 1 . . . . 51 LEU CA . 18137 1 276 . 1 1 51 51 LEU CB C 13 44.284 0.030 . 1 . . . . 51 LEU CB . 18137 1 277 . 1 1 51 51 LEU CG C 13 27.709 0.100 . 1 . . . . 51 LEU CG . 18137 1 278 . 1 1 51 51 LEU CD1 C 13 26.267 0.100 . 2 . . . . 51 LEU CD1 . 18137 1 279 . 1 1 51 51 LEU CD2 C 13 22.819 0.100 . 2 . . . . 51 LEU CD2 . 18137 1 280 . 1 1 51 51 LEU N N 15 125.640 0.023 . 1 . . . . 51 LEU N . 18137 1 281 . 1 1 52 52 VAL H H 1 9.327 0.006 . 1 . . . . 52 VAL H . 18137 1 282 . 1 1 52 52 VAL C C 13 173.358 0.002 . 1 . . . . 52 VAL C . 18137 1 283 . 1 1 52 52 VAL CA C 13 61.155 0.034 . 1 . . . . 52 VAL CA . 18137 1 284 . 1 1 52 52 VAL CB C 13 33.530 0.011 . 1 . . . . 52 VAL CB . 18137 1 285 . 1 1 52 52 VAL CG1 C 13 20.807 0.100 . 2 . . . . 52 VAL CG1 . 18137 1 286 . 1 1 52 52 VAL CG2 C 13 22.536 0.100 . 2 . . . . 52 VAL CG2 . 18137 1 287 . 1 1 52 52 VAL N N 15 128.196 0.055 . 1 . . . . 52 VAL N . 18137 1 288 . 1 1 53 53 ILE H H 1 9.395 0.004 . 1 . . . . 53 ILE H . 18137 1 289 . 1 1 53 53 ILE C C 13 176.134 0.006 . 1 . . . . 53 ILE C . 18137 1 290 . 1 1 53 53 ILE CA C 13 59.916 0.016 . 1 . . . . 53 ILE CA . 18137 1 291 . 1 1 53 53 ILE CB C 13 40.993 0.046 . 1 . . . . 53 ILE CB . 18137 1 292 . 1 1 53 53 ILE CG1 C 13 27.886 0.100 . 1 . . . . 53 ILE CG1 . 18137 1 293 . 1 1 53 53 ILE CG2 C 13 18.018 0.100 . 1 . . . . 53 ILE CG2 . 18137 1 294 . 1 1 53 53 ILE N N 15 127.507 0.022 . 1 . . . . 53 ILE N . 18137 1 295 . 1 1 54 54 ILE H H 1 8.586 0.003 . 1 . . . . 54 ILE H . 18137 1 296 . 1 1 54 54 ILE C C 13 174.567 0.015 . 1 . . . . 54 ILE C . 18137 1 297 . 1 1 54 54 ILE CA C 13 59.548 0.011 . 1 . . . . 54 ILE CA . 18137 1 298 . 1 1 54 54 ILE CB C 13 41.498 0.052 . 1 . . . . 54 ILE CB . 18137 1 299 . 1 1 54 54 ILE CG1 C 13 27.755 0.100 . 1 . . . . 54 ILE CG1 . 18137 1 300 . 1 1 54 54 ILE CG2 C 13 17.763 0.100 . 1 . . . . 54 ILE CG2 . 18137 1 301 . 1 1 54 54 ILE N N 15 125.722 0.027 . 1 . . . . 54 ILE N . 18137 1 302 . 1 1 55 55 ARG H H 1 8.264 0.010 . 1 . . . . 55 ARG H . 18137 1 303 . 1 1 55 55 ARG C C 13 175.607 0.013 . 1 . . . . 55 ARG C . 18137 1 304 . 1 1 55 55 ARG CA C 13 54.024 0.024 . 1 . . . . 55 ARG CA . 18137 1 305 . 1 1 55 55 ARG CB C 13 31.668 0.011 . 1 . . . . 55 ARG CB . 18137 1 306 . 1 1 55 55 ARG CG C 13 28.775 0.100 . 1 . . . . 55 ARG CG . 18137 1 307 . 1 1 55 55 ARG CD C 13 43.143 0.100 . 1 . . . . 55 ARG CD . 18137 1 308 . 1 1 55 55 ARG N N 15 126.491 0.081 . 1 . . . . 55 ARG N . 18137 1 309 . 1 1 56 56 PHE H H 1 8.706 0.004 . 1 . . . . 56 PHE H . 18137 1 310 . 1 1 56 56 PHE C C 13 173.472 0.004 . 1 . . . . 56 PHE C . 18137 1 311 . 1 1 56 56 PHE CA C 13 55.036 0.002 . 1 . . . . 56 PHE CA . 18137 1 312 . 1 1 56 56 PHE CB C 13 42.056 0.033 . 1 . . . . 56 PHE CB . 18137 1 313 . 1 1 56 56 PHE N N 15 119.286 0.067 . 1 . . . . 56 PHE N . 18137 1 314 . 1 1 57 57 THR H H 1 9.348 0.007 . 1 . . . . 57 THR H . 18137 1 315 . 1 1 57 57 THR C C 13 172.180 0.100 . 1 . . . . 57 THR C . 18137 1 316 . 1 1 57 57 THR CB C 13 70.653 0.100 . 1 . . . . 57 THR CB . 18137 1 317 . 1 1 57 57 THR N N 15 118.565 0.048 . 1 . . . . 57 THR N . 18137 1 318 . 1 1 59 59 THR C C 13 174.925 0.100 . 1 . . . . 59 THR C . 18137 1 319 . 1 1 59 59 THR CA C 13 64.708 0.100 . 1 . . . . 59 THR CA . 18137 1 320 . 1 1 59 59 THR CB C 13 69.295 0.100 . 1 . . . . 59 THR CB . 18137 1 321 . 1 1 59 59 THR CG2 C 13 23.209 0.100 . 1 . . . . 59 THR CG2 . 18137 1 322 . 1 1 60 60 VAL H H 1 7.159 0.009 . 1 . . . . 60 VAL H . 18137 1 323 . 1 1 60 60 VAL CA C 13 68.223 0.100 . 1 . . . . 60 VAL CA . 18137 1 324 . 1 1 60 60 VAL CB C 13 39.446 0.100 . 1 . . . . 60 VAL CB . 18137 1 325 . 1 1 60 60 VAL N N 15 114.028 0.107 . 1 . . . . 60 VAL N . 18137 1 326 . 1 1 61 61 PRO C C 13 176.404 0.023 . 1 . . . . 61 PRO C . 18137 1 327 . 1 1 61 61 PRO CA C 13 65.263 0.007 . 1 . . . . 61 PRO CA . 18137 1 328 . 1 1 61 61 PRO CB C 13 32.929 0.097 . 1 . . . . 61 PRO CB . 18137 1 329 . 1 1 62 62 HIS H H 1 8.817 0.007 . 1 . . . . 62 HIS H . 18137 1 330 . 1 1 62 62 HIS C C 13 176.575 0.100 . 1 . . . . 62 HIS C . 18137 1 331 . 1 1 62 62 HIS CA C 13 56.774 0.100 . 1 . . . . 62 HIS CA . 18137 1 332 . 1 1 62 62 HIS CB C 13 33.455 0.100 . 1 . . . . 62 HIS CB . 18137 1 333 . 1 1 62 62 HIS N N 15 115.599 0.041 . 1 . . . . 62 HIS N . 18137 1 334 . 1 1 65 65 LEU C C 13 175.282 0.010 . 1 . . . . 65 LEU C . 18137 1 335 . 1 1 65 65 LEU CA C 13 53.340 0.100 . 1 . . . . 65 LEU CA . 18137 1 336 . 1 1 65 65 LEU CB C 13 38.926 0.042 . 1 . . . . 65 LEU CB . 18137 1 337 . 1 1 65 65 LEU CG C 13 20.853 0.100 . 1 . . . . 65 LEU CG . 18137 1 338 . 1 1 66 66 ALA H H 1 8.472 0.013 . 1 . . . . 66 ALA H . 18137 1 339 . 1 1 66 66 ALA C C 13 178.896 0.100 . 1 . . . . 66 ALA C . 18137 1 340 . 1 1 66 66 ALA CA C 13 56.392 0.080 . 1 . . . . 66 ALA CA . 18137 1 341 . 1 1 66 66 ALA CB C 13 18.873 0.066 . 1 . . . . 66 ALA CB . 18137 1 342 . 1 1 66 66 ALA N N 15 124.870 0.144 . 1 . . . . 66 ALA N . 18137 1 343 . 1 1 67 67 THR H H 1 8.275 0.004 . 1 . . . . 67 THR H . 18137 1 344 . 1 1 67 67 THR C C 13 176.125 0.031 . 1 . . . . 67 THR C . 18137 1 345 . 1 1 67 67 THR CA C 13 66.639 0.082 . 1 . . . . 67 THR CA . 18137 1 346 . 1 1 67 67 THR CB C 13 68.315 0.019 . 1 . . . . 67 THR CB . 18137 1 347 . 1 1 67 67 THR CG2 C 13 21.405 0.100 . 1 . . . . 67 THR CG2 . 18137 1 348 . 1 1 67 67 THR N N 15 111.897 0.025 . 1 . . . . 67 THR N . 18137 1 349 . 1 1 68 68 LEU H H 1 7.596 0.005 . 1 . . . . 68 LEU H . 18137 1 350 . 1 1 68 68 LEU C C 13 179.241 0.030 . 1 . . . . 68 LEU C . 18137 1 351 . 1 1 68 68 LEU CA C 13 58.602 0.005 . 1 . . . . 68 LEU CA . 18137 1 352 . 1 1 68 68 LEU CB C 13 42.683 0.053 . 1 . . . . 68 LEU CB . 18137 1 353 . 1 1 68 68 LEU CG C 13 27.763 0.100 . 1 . . . . 68 LEU CG . 18137 1 354 . 1 1 68 68 LEU CD2 C 13 25.126 0.100 . 1 . . . . 68 LEU CD2 . 18137 1 355 . 1 1 68 68 LEU N N 15 122.585 0.077 . 1 . . . . 68 LEU N . 18137 1 356 . 1 1 69 69 ILE H H 1 8.451 0.022 . 1 . . . . 69 ILE H . 18137 1 357 . 1 1 69 69 ILE C C 13 177.912 0.013 . 1 . . . . 69 ILE C . 18137 1 358 . 1 1 69 69 ILE CA C 13 66.460 0.018 . 1 . . . . 69 ILE CA . 18137 1 359 . 1 1 69 69 ILE CB C 13 37.691 0.051 . 1 . . . . 69 ILE CB . 18137 1 360 . 1 1 69 69 ILE CG2 C 13 16.932 0.100 . 1 . . . . 69 ILE CG2 . 18137 1 361 . 1 1 69 69 ILE N N 15 120.513 0.139 . 1 . . . . 69 ILE N . 18137 1 362 . 1 1 70 70 GLY H H 1 8.125 0.007 . 1 . . . . 70 GLY H . 18137 1 363 . 1 1 70 70 GLY C C 13 175.210 0.013 . 1 . . . . 70 GLY C . 18137 1 364 . 1 1 70 70 GLY CA C 13 47.837 0.061 . 1 . . . . 70 GLY CA . 18137 1 365 . 1 1 70 70 GLY N N 15 105.332 0.014 . 1 . . . . 70 GLY N . 18137 1 366 . 1 1 71 71 LEU H H 1 8.242 0.047 . 1 . . . . 71 LEU H . 18137 1 367 . 1 1 71 71 LEU C C 13 178.456 0.008 . 1 . . . . 71 LEU C . 18137 1 368 . 1 1 71 71 LEU CA C 13 58.022 0.073 . 1 . . . . 71 LEU CA . 18137 1 369 . 1 1 71 71 LEU CB C 13 42.268 0.050 . 1 . . . . 71 LEU CB . 18137 1 370 . 1 1 71 71 LEU CG C 13 26.123 0.100 . 1 . . . . 71 LEU CG . 18137 1 371 . 1 1 71 71 LEU CD2 C 13 24.416 0.100 . 1 . . . . 71 LEU CD2 . 18137 1 372 . 1 1 71 71 LEU N N 15 121.555 0.151 . 1 . . . . 71 LEU N . 18137 1 373 . 1 1 72 72 CYS H H 1 8.142 0.007 . 1 . . . . 72 CYS H . 18137 1 374 . 1 1 72 72 CYS C C 13 176.268 0.004 . 1 . . . . 72 CYS C . 18137 1 375 . 1 1 72 72 CYS CA C 13 64.255 0.030 . 1 . . . . 72 CYS CA . 18137 1 376 . 1 1 72 72 CYS CB C 13 27.574 0.045 . 1 . . . . 72 CYS CB . 18137 1 377 . 1 1 72 72 CYS N N 15 116.762 0.022 . 1 . . . . 72 CYS N . 18137 1 378 . 1 1 73 73 LEU H H 1 7.983 0.002 . 1 . . . . 73 LEU H . 18137 1 379 . 1 1 73 73 LEU C C 13 177.106 0.003 . 1 . . . . 73 LEU C . 18137 1 380 . 1 1 73 73 LEU CA C 13 58.397 0.009 . 1 . . . . 73 LEU CA . 18137 1 381 . 1 1 73 73 LEU CB C 13 42.438 0.033 . 1 . . . . 73 LEU CB . 18137 1 382 . 1 1 73 73 LEU CG C 13 29.994 0.100 . 1 . . . . 73 LEU CG . 18137 1 383 . 1 1 73 73 LEU CD2 C 13 26.163 0.100 . 1 . . . . 73 LEU CD2 . 18137 1 384 . 1 1 73 73 LEU N N 15 117.260 0.037 . 1 . . . . 73 LEU N . 18137 1 385 . 1 1 74 74 ARG H H 1 7.542 0.016 . 1 . . . . 74 ARG H . 18137 1 386 . 1 1 74 74 ARG C C 13 178.386 0.017 . 1 . . . . 74 ARG C . 18137 1 387 . 1 1 74 74 ARG CA C 13 59.957 0.049 . 1 . . . . 74 ARG CA . 18137 1 388 . 1 1 74 74 ARG CG C 13 27.488 0.100 . 1 . . . . 74 ARG CG . 18137 1 389 . 1 1 74 74 ARG CD C 13 43.140 0.100 . 1 . . . . 74 ARG CD . 18137 1 390 . 1 1 74 74 ARG N N 15 115.846 0.049 . 1 . . . . 74 ARG N . 18137 1 391 . 1 1 75 75 VAL H H 1 8.723 0.004 . 1 . . . . 75 VAL H . 18137 1 392 . 1 1 75 75 VAL C C 13 178.031 0.009 . 1 . . . . 75 VAL C . 18137 1 393 . 1 1 75 75 VAL CA C 13 66.630 0.009 . 1 . . . . 75 VAL CA . 18137 1 394 . 1 1 75 75 VAL CB C 13 31.672 0.062 . 1 . . . . 75 VAL CB . 18137 1 395 . 1 1 75 75 VAL CG1 C 13 20.579 0.100 . 2 . . . . 75 VAL CG1 . 18137 1 396 . 1 1 75 75 VAL CG2 C 13 23.143 0.100 . 2 . . . . 75 VAL CG2 . 18137 1 397 . 1 1 75 75 VAL N N 15 118.843 0.028 . 1 . . . . 75 VAL N . 18137 1 398 . 1 1 76 76 LYS H H 1 8.272 0.009 . 1 . . . . 76 LYS H . 18137 1 399 . 1 1 76 76 LYS C C 13 178.597 0.017 . 1 . . . . 76 LYS C . 18137 1 400 . 1 1 76 76 LYS CA C 13 59.516 0.024 . 1 . . . . 76 LYS CA . 18137 1 401 . 1 1 76 76 LYS CB C 13 32.853 0.094 . 1 . . . . 76 LYS CB . 18137 1 402 . 1 1 76 76 LYS CG C 13 25.505 0.100 . 1 . . . . 76 LYS CG . 18137 1 403 . 1 1 76 76 LYS CD C 13 29.867 0.100 . 1 . . . . 76 LYS CD . 18137 1 404 . 1 1 76 76 LYS N N 15 118.091 0.192 . 1 . . . . 76 LYS N . 18137 1 405 . 1 1 77 77 LEU H H 1 7.517 0.011 . 1 . . . . 77 LEU H . 18137 1 406 . 1 1 77 77 LEU C C 13 178.580 0.016 . 1 . . . . 77 LEU C . 18137 1 407 . 1 1 77 77 LEU CA C 13 58.063 0.067 . 1 . . . . 77 LEU CA . 18137 1 408 . 1 1 77 77 LEU CB C 13 40.139 0.053 . 1 . . . . 77 LEU CB . 18137 1 409 . 1 1 77 77 LEU CG C 13 27.646 0.100 . 1 . . . . 77 LEU CG . 18137 1 410 . 1 1 77 77 LEU CD2 C 13 26.494 0.100 . 1 . . . . 77 LEU CD2 . 18137 1 411 . 1 1 77 77 LEU N N 15 115.856 0.018 . 1 . . . . 77 LEU N . 18137 1 412 . 1 1 78 78 GLN H H 1 8.638 0.013 . 1 . . . . 78 GLN H . 18137 1 413 . 1 1 78 78 GLN C C 13 179.017 0.034 . 1 . . . . 78 GLN C . 18137 1 414 . 1 1 78 78 GLN CA C 13 59.431 0.026 . 1 . . . . 78 GLN CA . 18137 1 415 . 1 1 78 78 GLN CB C 13 28.327 0.030 . 1 . . . . 78 GLN CB . 18137 1 416 . 1 1 78 78 GLN CG C 13 34.153 0.100 . 1 . . . . 78 GLN CG . 18137 1 417 . 1 1 78 78 GLN N N 15 118.930 0.092 . 1 . . . . 78 GLN N . 18137 1 418 . 1 1 79 79 ARG H H 1 7.815 0.005 . 1 . . . . 79 ARG H . 18137 1 419 . 1 1 79 79 ARG C C 13 178.975 0.013 . 1 . . . . 79 ARG C . 18137 1 420 . 1 1 79 79 ARG CA C 13 59.027 0.077 . 1 . . . . 79 ARG CA . 18137 1 421 . 1 1 79 79 ARG CB C 13 32.169 0.007 . 1 . . . . 79 ARG CB . 18137 1 422 . 1 1 79 79 ARG CG C 13 27.717 0.100 . 1 . . . . 79 ARG CG . 18137 1 423 . 1 1 79 79 ARG CD C 13 43.785 0.100 . 1 . . . . 79 ARG CD . 18137 1 424 . 1 1 79 79 ARG N N 15 115.170 0.016 . 1 . . . . 79 ARG N . 18137 1 425 . 1 1 80 80 CYS H H 1 7.754 0.006 . 1 . . . . 80 CYS H . 18137 1 426 . 1 1 80 80 CYS C C 13 175.431 0.009 . 1 . . . . 80 CYS C . 18137 1 427 . 1 1 80 80 CYS CA C 13 60.534 0.032 . 1 . . . . 80 CYS CA . 18137 1 428 . 1 1 80 80 CYS CB C 13 31.827 0.042 . 1 . . . . 80 CYS CB . 18137 1 429 . 1 1 80 80 CYS N N 15 112.156 0.116 . 1 . . . . 80 CYS N . 18137 1 430 . 1 1 81 81 LEU H H 1 8.612 0.014 . 1 . . . . 81 LEU H . 18137 1 431 . 1 1 81 81 LEU C C 13 177.156 0.100 . 1 . . . . 81 LEU C . 18137 1 432 . 1 1 81 81 LEU CA C 13 53.292 0.100 . 1 . . . . 81 LEU CA . 18137 1 433 . 1 1 81 81 LEU CB C 13 41.812 0.100 . 1 . . . . 81 LEU CB . 18137 1 434 . 1 1 81 81 LEU N N 15 123.018 0.259 . 1 . . . . 81 LEU N . 18137 1 435 . 1 1 82 82 PRO C C 13 175.335 0.005 . 1 . . . . 82 PRO C . 18137 1 436 . 1 1 82 82 PRO CA C 13 63.862 0.028 . 1 . . . . 82 PRO CA . 18137 1 437 . 1 1 82 82 PRO CB C 13 31.157 0.100 . 1 . . . . 82 PRO CB . 18137 1 438 . 1 1 82 82 PRO CG C 13 27.076 0.100 . 1 . . . . 82 PRO CG . 18137 1 439 . 1 1 83 83 PHE H H 1 6.366 0.006 . 1 . . . . 83 PHE H . 18137 1 440 . 1 1 83 83 PHE C C 13 174.457 0.019 . 1 . . . . 83 PHE C . 18137 1 441 . 1 1 83 83 PHE CA C 13 53.610 0.005 . 1 . . . . 83 PHE CA . 18137 1 442 . 1 1 83 83 PHE CB C 13 40.805 0.064 . 1 . . . . 83 PHE CB . 18137 1 443 . 1 1 83 83 PHE N N 15 113.719 0.019 . 1 . . . . 83 PHE N . 18137 1 444 . 1 1 84 84 LYS H H 1 9.220 0.003 . 1 . . . . 84 LYS H . 18137 1 445 . 1 1 84 84 LYS C C 13 176.553 0.014 . 1 . . . . 84 LYS C . 18137 1 446 . 1 1 84 84 LYS CA C 13 57.894 0.004 . 1 . . . . 84 LYS CA . 18137 1 447 . 1 1 84 84 LYS CB C 13 32.397 0.018 . 1 . . . . 84 LYS CB . 18137 1 448 . 1 1 84 84 LYS CG C 13 25.551 0.100 . 1 . . . . 84 LYS CG . 18137 1 449 . 1 1 84 84 LYS CD C 13 29.333 0.100 . 1 . . . . 84 LYS CD . 18137 1 450 . 1 1 84 84 LYS N N 15 124.547 0.032 . 1 . . . . 84 LYS N . 18137 1 451 . 1 1 85 85 HIS H H 1 8.521 0.017 . 1 . . . . 85 HIS H . 18137 1 452 . 1 1 85 85 HIS C C 13 173.662 0.020 . 1 . . . . 85 HIS C . 18137 1 453 . 1 1 85 85 HIS CA C 13 55.607 0.067 . 1 . . . . 85 HIS CA . 18137 1 454 . 1 1 85 85 HIS CB C 13 32.341 0.076 . 1 . . . . 85 HIS CB . 18137 1 455 . 1 1 85 85 HIS N N 15 119.761 0.100 . 1 . . . . 85 HIS N . 18137 1 456 . 1 1 86 86 LYS H H 1 8.750 0.005 . 1 . . . . 86 LYS H . 18137 1 457 . 1 1 86 86 LYS C C 13 175.173 1.287 . 1 . . . . 86 LYS C . 18137 1 458 . 1 1 86 86 LYS CA C 13 55.370 0.010 . 1 . . . . 86 LYS CA . 18137 1 459 . 1 1 86 86 LYS CB C 13 35.588 0.016 . 1 . . . . 86 LYS CB . 18137 1 460 . 1 1 86 86 LYS CG C 13 25.399 0.100 . 1 . . . . 86 LYS CG . 18137 1 461 . 1 1 86 86 LYS CD C 13 29.229 0.100 . 1 . . . . 86 LYS CD . 18137 1 462 . 1 1 86 86 LYS CE C 13 41.511 0.100 . 1 . . . . 86 LYS CE . 18137 1 463 . 1 1 86 86 LYS N N 15 121.289 0.024 . 1 . . . . 86 LYS N . 18137 1 464 . 1 1 87 87 LEU H H 1 8.938 0.003 . 1 . . . . 87 LEU H . 18137 1 465 . 1 1 87 87 LEU C C 13 176.160 0.019 . 1 . . . . 87 LEU C . 18137 1 466 . 1 1 87 87 LEU CA C 13 53.633 0.003 . 1 . . . . 87 LEU CA . 18137 1 467 . 1 1 87 87 LEU CB C 13 45.637 0.090 . 1 . . . . 87 LEU CB . 18137 1 468 . 1 1 87 87 LEU CG C 13 27.640 0.100 . 1 . . . . 87 LEU CG . 18137 1 469 . 1 1 87 87 LEU N N 15 125.303 0.018 . 1 . . . . 87 LEU N . 18137 1 470 . 1 1 88 88 GLU H H 1 9.349 0.004 . 1 . . . . 88 GLU H . 18137 1 471 . 1 1 88 88 GLU C C 13 173.337 0.009 . 1 . . . . 88 GLU C . 18137 1 472 . 1 1 88 88 GLU CA C 13 55.512 0.024 . 1 . . . . 88 GLU CA . 18137 1 473 . 1 1 88 88 GLU CB C 13 33.091 0.041 . 1 . . . . 88 GLU CB . 18137 1 474 . 1 1 88 88 GLU CG C 13 36.188 0.100 . 1 . . . . 88 GLU CG . 18137 1 475 . 1 1 88 88 GLU N N 15 128.711 0.057 . 1 . . . . 88 GLU N . 18137 1 476 . 1 1 89 89 ILE H H 1 8.315 0.005 . 1 . . . . 89 ILE H . 18137 1 477 . 1 1 89 89 ILE C C 13 173.610 0.013 . 1 . . . . 89 ILE C . 18137 1 478 . 1 1 89 89 ILE CA C 13 58.705 0.043 . 1 . . . . 89 ILE CA . 18137 1 479 . 1 1 89 89 ILE CB C 13 40.782 0.063 . 1 . . . . 89 ILE CB . 18137 1 480 . 1 1 89 89 ILE CG1 C 13 27.139 0.100 . 1 . . . . 89 ILE CG1 . 18137 1 481 . 1 1 89 89 ILE CG2 C 13 19.666 0.100 . 1 . . . . 89 ILE CG2 . 18137 1 482 . 1 1 89 89 ILE N N 15 121.049 0.006 . 1 . . . . 89 ILE N . 18137 1 483 . 1 1 90 90 TYR H H 1 9.069 0.004 . 1 . . . . 90 TYR H . 18137 1 484 . 1 1 90 90 TYR C C 13 175.154 0.009 . 1 . . . . 90 TYR C . 18137 1 485 . 1 1 90 90 TYR CA C 13 55.280 0.013 . 1 . . . . 90 TYR CA . 18137 1 486 . 1 1 90 90 TYR CB C 13 43.187 0.054 . 1 . . . . 90 TYR CB . 18137 1 487 . 1 1 90 90 TYR N N 15 121.331 0.034 . 1 . . . . 90 TYR N . 18137 1 488 . 1 1 91 91 ILE H H 1 9.045 0.005 . 1 . . . . 91 ILE H . 18137 1 489 . 1 1 91 91 ILE C C 13 177.328 0.100 . 1 . . . . 91 ILE C . 18137 1 490 . 1 1 91 91 ILE CA C 13 59.647 0.100 . 1 . . . . 91 ILE CA . 18137 1 491 . 1 1 91 91 ILE CB C 13 38.701 0.100 . 1 . . . . 91 ILE CB . 18137 1 492 . 1 1 91 91 ILE N N 15 121.152 0.037 . 1 . . . . 91 ILE N . 18137 1 493 . 1 1 101 101 ASP C C 13 178.394 0.100 . 1 . . . . 101 ASP C . 18137 1 494 . 1 1 101 101 ASP CA C 13 59.061 0.100 . 1 . . . . 101 ASP CA . 18137 1 495 . 1 1 101 101 ASP CB C 13 41.067 0.100 . 1 . . . . 101 ASP CB . 18137 1 496 . 1 1 102 102 ILE H H 1 7.968 0.023 . 1 . . . . 102 ILE H . 18137 1 497 . 1 1 102 102 ILE C C 13 177.219 0.002 . 1 . . . . 102 ILE C . 18137 1 498 . 1 1 102 102 ILE CA C 13 65.035 0.014 . 1 . . . . 102 ILE CA . 18137 1 499 . 1 1 102 102 ILE CB C 13 37.751 0.025 . 1 . . . . 102 ILE CB . 18137 1 500 . 1 1 102 102 ILE CG2 C 13 17.760 0.100 . 1 . . . . 102 ILE CG2 . 18137 1 501 . 1 1 102 102 ILE N N 15 121.586 0.225 . 1 . . . . 102 ILE N . 18137 1 502 . 1 1 103 103 ASN H H 1 8.499 0.005 . 1 . . . . 103 ASN H . 18137 1 503 . 1 1 103 103 ASN C C 13 178.550 0.012 . 1 . . . . 103 ASN C . 18137 1 504 . 1 1 103 103 ASN CA C 13 55.693 0.093 . 1 . . . . 103 ASN CA . 18137 1 505 . 1 1 103 103 ASN CB C 13 38.126 0.059 . 1 . . . . 103 ASN CB . 18137 1 506 . 1 1 103 103 ASN N N 15 117.787 0.016 . 1 . . . . 103 ASN N . 18137 1 507 . 1 1 104 104 LYS H H 1 7.824 0.020 . 1 . . . . 104 LYS H . 18137 1 508 . 1 1 104 104 LYS C C 13 179.087 0.022 . 1 . . . . 104 LYS C . 18137 1 509 . 1 1 104 104 LYS CA C 13 59.529 0.069 . 1 . . . . 104 LYS CA . 18137 1 510 . 1 1 104 104 LYS CB C 13 32.521 0.064 . 1 . . . . 104 LYS CB . 18137 1 511 . 1 1 104 104 LYS CG C 13 25.318 0.100 . 1 . . . . 104 LYS CG . 18137 1 512 . 1 1 104 104 LYS CD C 13 29.360 0.100 . 1 . . . . 104 LYS CD . 18137 1 513 . 1 1 104 104 LYS N N 15 119.416 0.188 . 1 . . . . 104 LYS N . 18137 1 514 . 1 1 105 105 GLN H H 1 7.848 0.022 . 1 . . . . 105 GLN H . 18137 1 515 . 1 1 105 105 GLN C C 13 178.183 0.013 . 1 . . . . 105 GLN C . 18137 1 516 . 1 1 105 105 GLN CA C 13 59.531 0.001 . 1 . . . . 105 GLN CA . 18137 1 517 . 1 1 105 105 GLN CB C 13 29.079 0.019 . 1 . . . . 105 GLN CB . 18137 1 518 . 1 1 105 105 GLN CG C 13 34.275 0.100 . 1 . . . . 105 GLN CG . 18137 1 519 . 1 1 105 105 GLN N N 15 117.500 0.107 . 1 . . . . 105 GLN N . 18137 1 520 . 1 1 106 106 ILE H H 1 7.967 0.002 . 1 . . . . 106 ILE H . 18137 1 521 . 1 1 106 106 ILE C C 13 175.569 0.008 . 1 . . . . 106 ILE C . 18137 1 522 . 1 1 106 106 ILE CA C 13 62.970 0.012 . 1 . . . . 106 ILE CA . 18137 1 523 . 1 1 106 106 ILE CB C 13 37.946 0.006 . 1 . . . . 106 ILE CB . 18137 1 524 . 1 1 106 106 ILE CG1 C 13 25.322 0.100 . 1 . . . . 106 ILE CG1 . 18137 1 525 . 1 1 106 106 ILE CG2 C 13 18.129 0.100 . 1 . . . . 106 ILE CG2 . 18137 1 526 . 1 1 106 106 ILE N N 15 108.677 0.052 . 1 . . . . 106 ILE N . 18137 1 527 . 1 1 107 107 ASN H H 1 7.164 0.010 . 1 . . . . 107 ASN H . 18137 1 528 . 1 1 107 107 ASN C C 13 173.519 0.008 . 1 . . . . 107 ASN C . 18137 1 529 . 1 1 107 107 ASN CA C 13 53.958 0.040 . 1 . . . . 107 ASN CA . 18137 1 530 . 1 1 107 107 ASN CB C 13 41.336 0.078 . 1 . . . . 107 ASN CB . 18137 1 531 . 1 1 107 107 ASN N N 15 115.809 0.010 . 1 . . . . 107 ASN N . 18137 1 532 . 1 1 108 108 ASP H H 1 7.544 0.006 . 1 . . . . 108 ASP H . 18137 1 533 . 1 1 108 108 ASP C C 13 176.324 0.009 . 1 . . . . 108 ASP C . 18137 1 534 . 1 1 108 108 ASP CA C 13 54.215 0.079 . 1 . . . . 108 ASP CA . 18137 1 535 . 1 1 108 108 ASP CB C 13 42.182 0.088 . 1 . . . . 108 ASP CB . 18137 1 536 . 1 1 108 108 ASP N N 15 122.129 0.021 . 1 . . . . 108 ASP N . 18137 1 537 . 1 1 109 109 LYS H H 1 8.947 0.003 . 1 . . . . 109 LYS H . 18137 1 538 . 1 1 109 109 LYS C C 13 179.002 0.006 . 1 . . . . 109 LYS C . 18137 1 539 . 1 1 109 109 LYS CA C 13 60.309 0.036 . 1 . . . . 109 LYS CA . 18137 1 540 . 1 1 109 109 LYS CB C 13 32.318 0.048 . 1 . . . . 109 LYS CB . 18137 1 541 . 1 1 109 109 LYS CG C 13 24.710 0.100 . 1 . . . . 109 LYS CG . 18137 1 542 . 1 1 109 109 LYS CD C 13 29.366 0.100 . 1 . . . . 109 LYS CD . 18137 1 543 . 1 1 109 109 LYS N N 15 126.758 0.029 . 1 . . . . 109 LYS N . 18137 1 544 . 1 1 110 110 GLU H H 1 8.392 0.005 . 1 . . . . 110 GLU H . 18137 1 545 . 1 1 110 110 GLU C C 13 179.736 0.004 . 1 . . . . 110 GLU C . 18137 1 546 . 1 1 110 110 GLU CA C 13 59.274 0.097 . 1 . . . . 110 GLU CA . 18137 1 547 . 1 1 110 110 GLU CB C 13 29.234 0.015 . 1 . . . . 110 GLU CB . 18137 1 548 . 1 1 110 110 GLU CG C 13 36.857 0.100 . 1 . . . . 110 GLU CG . 18137 1 549 . 1 1 110 110 GLU N N 15 119.453 0.053 . 1 . . . . 110 GLU N . 18137 1 550 . 1 1 111 111 ARG H H 1 8.042 0.005 . 1 . . . . 111 ARG H . 18137 1 551 . 1 1 111 111 ARG C C 13 180.142 0.016 . 1 . . . . 111 ARG C . 18137 1 552 . 1 1 111 111 ARG CA C 13 58.538 0.002 . 1 . . . . 111 ARG CA . 18137 1 553 . 1 1 111 111 ARG CB C 13 29.856 0.063 . 1 . . . . 111 ARG CB . 18137 1 554 . 1 1 111 111 ARG CG C 13 27.266 0.100 . 1 . . . . 111 ARG CG . 18137 1 555 . 1 1 111 111 ARG CD C 13 43.063 0.100 . 1 . . . . 111 ARG CD . 18137 1 556 . 1 1 111 111 ARG N N 15 121.632 0.019 . 1 . . . . 111 ARG N . 18137 1 557 . 1 1 112 112 VAL H H 1 8.524 0.008 . 1 . . . . 112 VAL H . 18137 1 558 . 1 1 112 112 VAL C C 13 177.190 0.007 . 1 . . . . 112 VAL C . 18137 1 559 . 1 1 112 112 VAL CA C 13 66.731 0.013 . 1 . . . . 112 VAL CA . 18137 1 560 . 1 1 112 112 VAL CB C 13 31.954 0.004 . 1 . . . . 112 VAL CB . 18137 1 561 . 1 1 112 112 VAL CG1 C 13 22.580 0.100 . 2 . . . . 112 VAL CG1 . 18137 1 562 . 1 1 112 112 VAL CG2 C 13 20.753 0.100 . 2 . . . . 112 VAL CG2 . 18137 1 563 . 1 1 112 112 VAL N N 15 122.469 0.171 . 1 . . . . 112 VAL N . 18137 1 564 . 1 1 113 113 ALA H H 1 7.679 0.007 . 1 . . . . 113 ALA H . 18137 1 565 . 1 1 113 113 ALA C C 13 180.414 0.009 . 1 . . . . 113 ALA C . 18137 1 566 . 1 1 113 113 ALA CA C 13 55.160 0.041 . 1 . . . . 113 ALA CA . 18137 1 567 . 1 1 113 113 ALA CB C 13 17.913 0.013 . 1 . . . . 113 ALA CB . 18137 1 568 . 1 1 113 113 ALA N N 15 120.053 0.150 . 1 . . . . 113 ALA N . 18137 1 569 . 1 1 114 114 ALA H H 1 7.779 0.012 . 1 . . . . 114 ALA H . 18137 1 570 . 1 1 114 114 ALA C C 13 181.004 0.002 . 1 . . . . 114 ALA C . 18137 1 571 . 1 1 114 114 ALA CA C 13 54.880 0.007 . 1 . . . . 114 ALA CA . 18137 1 572 . 1 1 114 114 ALA CB C 13 18.138 0.014 . 1 . . . . 114 ALA CB . 18137 1 573 . 1 1 114 114 ALA N N 15 118.594 0.218 . 1 . . . . 114 ALA N . 18137 1 574 . 1 1 115 115 ALA H H 1 7.908 0.010 . 1 . . . . 115 ALA H . 18137 1 575 . 1 1 115 115 ALA C C 13 179.314 0.011 . 1 . . . . 115 ALA C . 18137 1 576 . 1 1 115 115 ALA CA C 13 55.143 0.008 . 1 . . . . 115 ALA CA . 18137 1 577 . 1 1 115 115 ALA CB C 13 18.544 0.066 . 1 . . . . 115 ALA CB . 18137 1 578 . 1 1 115 115 ALA N N 15 122.157 0.261 . 1 . . . . 115 ALA N . 18137 1 579 . 1 1 116 116 MET H H 1 7.731 0.003 . 1 . . . . 116 MET H . 18137 1 580 . 1 1 116 116 MET C C 13 177.621 0.010 . 1 . . . . 116 MET C . 18137 1 581 . 1 1 116 116 MET CA C 13 55.456 0.032 . 1 . . . . 116 MET CA . 18137 1 582 . 1 1 116 116 MET CB C 13 30.947 0.047 . 1 . . . . 116 MET CB . 18137 1 583 . 1 1 116 116 MET CG C 13 32.748 0.100 . 1 . . . . 116 MET CG . 18137 1 584 . 1 1 116 116 MET N N 15 111.990 0.021 . 1 . . . . 116 MET N . 18137 1 585 . 1 1 117 117 GLU H H 1 7.428 0.022 . 1 . . . . 117 GLU H . 18137 1 586 . 1 1 117 117 GLU C C 13 176.327 0.007 . 1 . . . . 117 GLU C . 18137 1 587 . 1 1 117 117 GLU CA C 13 56.443 0.040 . 1 . . . . 117 GLU CA . 18137 1 588 . 1 1 117 117 GLU CB C 13 30.093 0.038 . 1 . . . . 117 GLU CB . 18137 1 589 . 1 1 117 117 GLU CG C 13 36.266 0.017 . 1 . . . . 117 GLU CG . 18137 1 590 . 1 1 117 117 GLU N N 15 117.032 0.091 . 1 . . . . 117 GLU N . 18137 1 591 . 1 1 118 118 ASN H H 1 7.605 0.004 . 1 . . . . 118 ASN H . 18137 1 592 . 1 1 118 118 ASN C C 13 174.110 0.100 . 1 . . . . 118 ASN C . 18137 1 593 . 1 1 118 118 ASN CA C 13 50.606 0.100 . 1 . . . . 118 ASN CA . 18137 1 594 . 1 1 118 118 ASN CB C 13 39.110 0.100 . 1 . . . . 118 ASN CB . 18137 1 595 . 1 1 118 118 ASN N N 15 121.678 0.036 . 1 . . . . 118 ASN N . 18137 1 596 . 1 1 119 119 PRO C C 13 178.525 0.004 . 1 . . . . 119 PRO C . 18137 1 597 . 1 1 119 119 PRO CA C 13 65.239 0.015 . 1 . . . . 119 PRO CA . 18137 1 598 . 1 1 119 119 PRO CB C 13 32.186 0.033 . 1 . . . . 119 PRO CB . 18137 1 599 . 1 1 119 119 PRO CG C 13 27.327 0.100 . 1 . . . . 119 PRO CG . 18137 1 600 . 1 1 120 120 ASN H H 1 7.925 0.015 . 1 . . . . 120 ASN H . 18137 1 601 . 1 1 120 120 ASN C C 13 177.101 0.009 . 1 . . . . 120 ASN C . 18137 1 602 . 1 1 120 120 ASN CA C 13 56.057 0.039 . 1 . . . . 120 ASN CA . 18137 1 603 . 1 1 120 120 ASN CB C 13 38.534 0.012 . 1 . . . . 120 ASN CB . 18137 1 604 . 1 1 120 120 ASN N N 15 114.686 0.029 . 1 . . . . 120 ASN N . 18137 1 605 . 1 1 121 121 LEU H H 1 7.383 0.002 . 1 . . . . 121 LEU H . 18137 1 606 . 1 1 121 121 LEU C C 13 178.506 0.005 . 1 . . . . 121 LEU C . 18137 1 607 . 1 1 121 121 LEU CA C 13 57.328 0.047 . 1 . . . . 121 LEU CA . 18137 1 608 . 1 1 121 121 LEU CB C 13 41.409 0.058 . 1 . . . . 121 LEU CB . 18137 1 609 . 1 1 121 121 LEU CG C 13 27.264 0.100 . 1 . . . . 121 LEU CG . 18137 1 610 . 1 1 121 121 LEU CD1 C 13 23.169 0.100 . 2 . . . . 121 LEU CD1 . 18137 1 611 . 1 1 121 121 LEU CD2 C 13 25.287 0.100 . 2 . . . . 121 LEU CD2 . 18137 1 612 . 1 1 121 121 LEU N N 15 119.598 0.014 . 1 . . . . 121 LEU N . 18137 1 613 . 1 1 122 122 ARG H H 1 8.559 0.020 . 1 . . . . 122 ARG H . 18137 1 614 . 1 1 122 122 ARG C C 13 177.660 0.008 . 1 . . . . 122 ARG C . 18137 1 615 . 1 1 122 122 ARG CA C 13 59.756 0.023 . 1 . . . . 122 ARG CA . 18137 1 616 . 1 1 122 122 ARG CB C 13 29.958 0.008 . 1 . . . . 122 ARG CB . 18137 1 617 . 1 1 122 122 ARG CG C 13 27.412 0.100 . 1 . . . . 122 ARG CG . 18137 1 618 . 1 1 122 122 ARG CD C 13 43.149 0.100 . 1 . . . . 122 ARG CD . 18137 1 619 . 1 1 122 122 ARG N N 15 119.151 0.048 . 1 . . . . 122 ARG N . 18137 1 620 . 1 1 123 123 GLU C C 13 178.950 0.008 . 1 . . . . 123 GLU C . 18137 1 621 . 1 1 123 123 GLU CA C 13 59.465 0.010 . 1 . . . . 123 GLU CA . 18137 1 622 . 1 1 123 123 GLU CB C 13 29.596 0.028 . 1 . . . . 123 GLU CB . 18137 1 623 . 1 1 123 123 GLU CG C 13 36.135 0.100 . 1 . . . . 123 GLU CG . 18137 1 624 . 1 1 123 123 GLU N N 15 115.328 0.240 . 1 . . . . 123 GLU N . 18137 1 625 . 1 1 124 124 ILE H H 1 7.133 0.005 . 1 . . . . 124 ILE H . 18137 1 626 . 1 1 124 124 ILE C C 13 178.083 0.015 . 1 . . . . 124 ILE C . 18137 1 627 . 1 1 124 124 ILE CA C 13 64.614 0.060 . 1 . . . . 124 ILE CA . 18137 1 628 . 1 1 124 124 ILE CB C 13 38.382 0.052 . 1 . . . . 124 ILE CB . 18137 1 629 . 1 1 124 124 ILE CG1 C 13 28.457 0.100 . 1 . . . . 124 ILE CG1 . 18137 1 630 . 1 1 124 124 ILE CG2 C 13 18.134 0.100 . 1 . . . . 124 ILE CG2 . 18137 1 631 . 1 1 124 124 ILE CD1 C 13 13.188 0.100 . 1 . . . . 124 ILE CD1 . 18137 1 632 . 1 1 124 124 ILE N N 15 119.226 0.019 . 1 . . . . 124 ILE N . 18137 1 633 . 1 1 125 125 VAL H H 1 8.059 0.019 . 1 . . . . 125 VAL H . 18137 1 634 . 1 1 125 125 VAL C C 13 178.338 0.006 . 1 . . . . 125 VAL C . 18137 1 635 . 1 1 125 125 VAL CA C 13 66.495 0.006 . 1 . . . . 125 VAL CA . 18137 1 636 . 1 1 125 125 VAL CB C 13 32.097 0.003 . 1 . . . . 125 VAL CB . 18137 1 637 . 1 1 125 125 VAL CG1 C 13 20.970 0.100 . 2 . . . . 125 VAL CG1 . 18137 1 638 . 1 1 125 125 VAL CG2 C 13 22.979 0.100 . 2 . . . . 125 VAL CG2 . 18137 1 639 . 1 1 125 125 VAL N N 15 120.531 0.093 . 1 . . . . 125 VAL N . 18137 1 640 . 1 1 126 126 GLU H H 1 8.437 0.002 . 1 . . . . 126 GLU H . 18137 1 641 . 1 1 126 126 GLU C C 13 179.571 0.008 . 1 . . . . 126 GLU C . 18137 1 642 . 1 1 126 126 GLU CA C 13 58.852 0.030 . 1 . . . . 126 GLU CA . 18137 1 643 . 1 1 126 126 GLU CB C 13 28.573 0.032 . 1 . . . . 126 GLU CB . 18137 1 644 . 1 1 126 126 GLU CG C 13 35.436 0.100 . 1 . . . . 126 GLU CG . 18137 1 645 . 1 1 126 126 GLU N N 15 114.299 0.022 . 1 . . . . 126 GLU N . 18137 1 646 . 1 1 127 127 GLN H H 1 7.568 0.005 . 1 . . . . 127 GLN H . 18137 1 647 . 1 1 127 127 GLN C C 13 178.462 0.002 . 1 . . . . 127 GLN C . 18137 1 648 . 1 1 127 127 GLN CA C 13 58.204 0.018 . 1 . . . . 127 GLN CA . 18137 1 649 . 1 1 127 127 GLN CB C 13 28.788 0.034 . 1 . . . . 127 GLN CB . 18137 1 650 . 1 1 127 127 GLN CG C 13 34.044 0.100 . 1 . . . . 127 GLN CG . 18137 1 651 . 1 1 127 127 GLN N N 15 116.069 0.085 . 1 . . . . 127 GLN N . 18137 1 652 . 1 1 128 128 CYS H H 1 8.083 0.003 . 1 . . . . 128 CYS H . 18137 1 653 . 1 1 128 128 CYS C C 13 176.696 0.009 . 1 . . . . 128 CYS C . 18137 1 654 . 1 1 128 128 CYS CA C 13 63.611 0.079 . 1 . . . . 128 CYS CA . 18137 1 655 . 1 1 128 128 CYS CB C 13 29.147 0.029 . 1 . . . . 128 CYS CB . 18137 1 656 . 1 1 128 128 CYS N N 15 116.558 0.019 . 1 . . . . 128 CYS N . 18137 1 657 . 1 1 129 129 VAL H H 1 7.622 0.004 . 1 . . . . 129 VAL H . 18137 1 658 . 1 1 129 129 VAL C C 13 174.896 0.007 . 1 . . . . 129 VAL C . 18137 1 659 . 1 1 129 129 VAL CA C 13 61.318 0.036 . 1 . . . . 129 VAL CA . 18137 1 660 . 1 1 129 129 VAL CB C 13 31.622 0.042 . 1 . . . . 129 VAL CB . 18137 1 661 . 1 1 129 129 VAL CG1 C 13 18.030 0.100 . 2 . . . . 129 VAL CG1 . 18137 1 662 . 1 1 129 129 VAL CG2 C 13 21.761 0.100 . 2 . . . . 129 VAL CG2 . 18137 1 663 . 1 1 129 129 VAL N N 15 108.669 0.040 . 1 . . . . 129 VAL N . 18137 1 664 . 1 1 130 130 LEU H H 1 6.905 0.006 . 1 . . . . 130 LEU H . 18137 1 665 . 1 1 130 130 LEU C C 13 182.564 0.100 . 1 . . . . 130 LEU C . 18137 1 666 . 1 1 130 130 LEU CA C 13 57.956 0.100 . 1 . . . . 130 LEU CA . 18137 1 667 . 1 1 130 130 LEU CB C 13 42.947 0.100 . 1 . . . . 130 LEU CB . 18137 1 668 . 1 1 130 130 LEU N N 15 128.048 0.017 . 1 . . . . 130 LEU N . 18137 1 stop_ save_