data_17497 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17497 _Entry.Title ; SNX-17-PX-DOMAIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-28 _Entry.Accession_date 2011-02-28 _Entry.Last_release_date 2011-05-19 _Entry.Original_release_date 2011-05-19 _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 'Resonance assignment of SNX-17-PX domain.' _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 Mehdi Mobli . . . 17497 2 Rajesh Ghai . . . 17497 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17497 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 370 17497 '15N chemical shifts' 105 17497 '1H chemical shifts' 540 17497 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-05-19 2011-02-28 original author . 17497 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17497 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21512128 _Citation.Full_citation . _Citation.Title 'Phox homology band 4.1/ezrin/radixin/moesin-like proteins function as molecular scaffolds that interact with cargo receptors and Ras GTPases.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 108 _Citation.Journal_issue 19 _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 7763 _Citation.Page_last 7768 _Citation.Year 2011 _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 Rajesh Ghai . . . 17497 1 2 Mehdi Mobli . . . 17497 1 3 Suzanne Norwood . J. . 17497 1 4 Andrea Bugarcic . . . 17497 1 5 Rohan Teasdale . D. . 17497 1 6 Glenn King . F. . 17497 1 7 Brett Collins . M. . 17497 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Alzheimer s disease' 17497 1 'Amyloid Precursor Protein' 17497 1 FERM 17497 1 px 17497 1 'sorting nexin' 17497 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17497 _Assembly.ID 1 _Assembly.Name SNX17-PX _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 SNX17-PX 1 $SNX17-PX A . yes native no no . . . 17497 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SNX17-PX _Entity.Sf_category entity _Entity.Sf_framecode SNX17-PX _Entity.Entry_ID 17497 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SNX17-PX _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 ; NAMHFSIPETESRSGDSGGS AYVAYNIHVNGVLHCRVRYS QLLGLHEQLRKEYGANVLPA FPPKKLFSLTPAEVEQRREQ LEKYMQAVRQDPLLGSSETF NSFLRRAQQETQ ; _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 112 _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 3FOG . "Crystal Structure Of The Px Domain Of Sorting Nexin-17 (Snx17)" . . . . . 98.21 115 98.18 98.18 9.80e-73 . . . . 17497 1 2 no PDB 3LUI . "Crystal Structure Of The Snx17 Px Domain With Bound Sulphate" . . . . . 100.00 115 100.00 100.00 4.93e-76 . . . . 17497 1 3 no DBJ BAA06542 . "KIAA0064 [Homo sapiens]" . . . . . 98.21 470 100.00 100.00 3.12e-71 . . . . 17497 1 4 no DBJ BAC36927 . "unnamed protein product [Mus musculus]" . . . . . 98.21 470 99.09 100.00 7.41e-71 . . . . 17497 1 5 no DBJ BAC37004 . "unnamed protein product [Mus musculus]" . . . . . 98.21 470 99.09 100.00 7.90e-71 . . . . 17497 1 6 no DBJ BAD96263 . "sorting nexin 17 variant [Homo sapiens]" . . . . . 98.21 470 100.00 100.00 3.05e-71 . . . . 17497 1 7 no DBJ BAE33663 . "unnamed protein product [Mus musculus]" . . . . . 98.21 470 99.09 100.00 7.41e-71 . . . . 17497 1 8 no EMBL CAC12897 . "KIAA0064 protein [Homo sapiens]" . . . . . 98.21 470 100.00 100.00 3.12e-71 . . . . 17497 1 9 no EMBL CAG33362 . "SNX17 [Homo sapiens]" . . . . . 98.21 470 100.00 100.00 3.12e-71 . . . . 17497 1 10 no EMBL CAH93411 . "hypothetical protein [Pongo abelii]" . . . . . 98.21 470 99.09 99.09 4.86e-70 . . . . 17497 1 11 no GB AAH02524 . "Sorting nexin 17 [Homo sapiens]" . . . . . 98.21 470 100.00 100.00 3.12e-71 . . . . 17497 1 12 no GB AAH02610 . "Sorting nexin 17 [Homo sapiens]" . . . . . 98.21 470 100.00 100.00 3.12e-71 . . . . 17497 1 13 no GB AAH14620 . "Sorting nexin 17 [Homo sapiens]" . . . . . 98.21 470 100.00 100.00 3.12e-71 . . . . 17497 1 14 no GB AAH23732 . "Sorting nexin 17 [Mus musculus]" . . . . . 98.21 470 99.09 100.00 7.41e-71 . . . . 17497 1 15 no GB AAH26571 . "Sorting nexin 17 [Mus musculus]" . . . . . 98.21 470 99.09 100.00 7.41e-71 . . . . 17497 1 16 no REF NP_001011981 . "sorting nexin-17 [Rattus norvegicus]" . . . . . 98.21 470 99.09 99.09 1.53e-70 . . . . 17497 1 17 no REF NP_001015638 . "sorting nexin-17 [Bos taurus]" . . . . . 98.21 470 100.00 100.00 4.16e-71 . . . . 17497 1 18 no REF NP_001127002 . "sorting nexin-17 [Pongo abelii]" . . . . . 98.21 470 99.09 99.09 4.86e-70 . . . . 17497 1 19 no REF NP_001252904 . "sorting nexin-17 [Macaca mulatta]" . . . . . 98.21 470 100.00 100.00 2.89e-71 . . . . 17497 1 20 no REF NP_001253990 . "sorting nexin-17 isoform 4 [Homo sapiens]" . . . . . 80.36 450 98.89 100.00 9.97e-55 . . . . 17497 1 21 no SP Q15036 . "RecName: Full=Sorting nexin-17" . . . . . 98.21 470 100.00 100.00 3.12e-71 . . . . 17497 1 22 no SP Q5EA77 . "RecName: Full=Sorting nexin-17" . . . . . 98.21 470 100.00 100.00 4.16e-71 . . . . 17497 1 23 no SP Q5R4A5 . "RecName: Full=Sorting nexin-17" . . . . . 98.21 470 99.09 99.09 4.86e-70 . . . . 17497 1 24 no SP Q6AYS6 . "RecName: Full=Sorting nexin-17" . . . . . 98.21 470 99.09 99.09 1.53e-70 . . . . 17497 1 25 no SP Q8BVL3 . "RecName: Full=Sorting nexin-17" . . . . . 98.21 470 99.09 100.00 7.41e-71 . . . . 17497 1 26 no TPG DAA24411 . "TPA: sorting nexin-17 [Bos taurus]" . . . . . 98.21 470 100.00 100.00 4.16e-71 . . . . 17497 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 . ASN . 17497 1 2 . ALA . 17497 1 3 . MET . 17497 1 4 . HIS . 17497 1 5 . PHE . 17497 1 6 . SER . 17497 1 7 . ILE . 17497 1 8 . PRO . 17497 1 9 . GLU . 17497 1 10 . THR . 17497 1 11 . GLU . 17497 1 12 . SER . 17497 1 13 . ARG . 17497 1 14 . SER . 17497 1 15 . GLY . 17497 1 16 . ASP . 17497 1 17 . SER . 17497 1 18 . GLY . 17497 1 19 . GLY . 17497 1 20 . SER . 17497 1 21 . ALA . 17497 1 22 . TYR . 17497 1 23 . VAL . 17497 1 24 . ALA . 17497 1 25 . TYR . 17497 1 26 . ASN . 17497 1 27 . ILE . 17497 1 28 . HIS . 17497 1 29 . VAL . 17497 1 30 . ASN . 17497 1 31 . GLY . 17497 1 32 . VAL . 17497 1 33 . LEU . 17497 1 34 . HIS . 17497 1 35 . CYS . 17497 1 36 . ARG . 17497 1 37 . VAL . 17497 1 38 . ARG . 17497 1 39 . TYR . 17497 1 40 . SER . 17497 1 41 . GLN . 17497 1 42 . LEU . 17497 1 43 . LEU . 17497 1 44 . GLY . 17497 1 45 . LEU . 17497 1 46 . HIS . 17497 1 47 . GLU . 17497 1 48 . GLN . 17497 1 49 . LEU . 17497 1 50 . ARG . 17497 1 51 . LYS . 17497 1 52 . GLU . 17497 1 53 . TYR . 17497 1 54 . GLY . 17497 1 55 . ALA . 17497 1 56 . ASN . 17497 1 57 . VAL . 17497 1 58 . LEU . 17497 1 59 . PRO . 17497 1 60 . ALA . 17497 1 61 . PHE . 17497 1 62 . PRO . 17497 1 63 . PRO . 17497 1 64 . LYS . 17497 1 65 . LYS . 17497 1 66 . LEU . 17497 1 67 . PHE . 17497 1 68 . SER . 17497 1 69 . LEU . 17497 1 70 . THR . 17497 1 71 . PRO . 17497 1 72 . ALA . 17497 1 73 . GLU . 17497 1 74 . VAL . 17497 1 75 . GLU . 17497 1 76 . GLN . 17497 1 77 . ARG . 17497 1 78 . ARG . 17497 1 79 . GLU . 17497 1 80 . GLN . 17497 1 81 . LEU . 17497 1 82 . GLU . 17497 1 83 . LYS . 17497 1 84 . TYR . 17497 1 85 . MET . 17497 1 86 . GLN . 17497 1 87 . ALA . 17497 1 88 . VAL . 17497 1 89 . ARG . 17497 1 90 . GLN . 17497 1 91 . ASP . 17497 1 92 . PRO . 17497 1 93 . LEU . 17497 1 94 . LEU . 17497 1 95 . GLY . 17497 1 96 . SER . 17497 1 97 . SER . 17497 1 98 . GLU . 17497 1 99 . THR . 17497 1 100 . PHE . 17497 1 101 . ASN . 17497 1 102 . SER . 17497 1 103 . PHE . 17497 1 104 . LEU . 17497 1 105 . ARG . 17497 1 106 . ARG . 17497 1 107 . ALA . 17497 1 108 . GLN . 17497 1 109 . GLN . 17497 1 110 . GLU . 17497 1 111 . THR . 17497 1 112 . GLN . 17497 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 . ASN 1 1 17497 1 . ALA 2 2 17497 1 . MET 3 3 17497 1 . HIS 4 4 17497 1 . PHE 5 5 17497 1 . SER 6 6 17497 1 . ILE 7 7 17497 1 . PRO 8 8 17497 1 . GLU 9 9 17497 1 . THR 10 10 17497 1 . GLU 11 11 17497 1 . SER 12 12 17497 1 . ARG 13 13 17497 1 . SER 14 14 17497 1 . GLY 15 15 17497 1 . ASP 16 16 17497 1 . SER 17 17 17497 1 . GLY 18 18 17497 1 . GLY 19 19 17497 1 . SER 20 20 17497 1 . ALA 21 21 17497 1 . TYR 22 22 17497 1 . VAL 23 23 17497 1 . ALA 24 24 17497 1 . TYR 25 25 17497 1 . ASN 26 26 17497 1 . ILE 27 27 17497 1 . HIS 28 28 17497 1 . VAL 29 29 17497 1 . ASN 30 30 17497 1 . GLY 31 31 17497 1 . VAL 32 32 17497 1 . LEU 33 33 17497 1 . HIS 34 34 17497 1 . CYS 35 35 17497 1 . ARG 36 36 17497 1 . VAL 37 37 17497 1 . ARG 38 38 17497 1 . TYR 39 39 17497 1 . SER 40 40 17497 1 . GLN 41 41 17497 1 . LEU 42 42 17497 1 . LEU 43 43 17497 1 . GLY 44 44 17497 1 . LEU 45 45 17497 1 . HIS 46 46 17497 1 . GLU 47 47 17497 1 . GLN 48 48 17497 1 . LEU 49 49 17497 1 . ARG 50 50 17497 1 . LYS 51 51 17497 1 . GLU 52 52 17497 1 . TYR 53 53 17497 1 . GLY 54 54 17497 1 . ALA 55 55 17497 1 . ASN 56 56 17497 1 . VAL 57 57 17497 1 . LEU 58 58 17497 1 . PRO 59 59 17497 1 . ALA 60 60 17497 1 . PHE 61 61 17497 1 . PRO 62 62 17497 1 . PRO 63 63 17497 1 . LYS 64 64 17497 1 . LYS 65 65 17497 1 . LEU 66 66 17497 1 . PHE 67 67 17497 1 . SER 68 68 17497 1 . LEU 69 69 17497 1 . THR 70 70 17497 1 . PRO 71 71 17497 1 . ALA 72 72 17497 1 . GLU 73 73 17497 1 . VAL 74 74 17497 1 . GLU 75 75 17497 1 . GLN 76 76 17497 1 . ARG 77 77 17497 1 . ARG 78 78 17497 1 . GLU 79 79 17497 1 . GLN 80 80 17497 1 . LEU 81 81 17497 1 . GLU 82 82 17497 1 . LYS 83 83 17497 1 . TYR 84 84 17497 1 . MET 85 85 17497 1 . GLN 86 86 17497 1 . ALA 87 87 17497 1 . VAL 88 88 17497 1 . ARG 89 89 17497 1 . GLN 90 90 17497 1 . ASP 91 91 17497 1 . PRO 92 92 17497 1 . LEU 93 93 17497 1 . LEU 94 94 17497 1 . GLY 95 95 17497 1 . SER 96 96 17497 1 . SER 97 97 17497 1 . GLU 98 98 17497 1 . THR 99 99 17497 1 . PHE 100 100 17497 1 . ASN 101 101 17497 1 . SER 102 102 17497 1 . PHE 103 103 17497 1 . LEU 104 104 17497 1 . ARG 105 105 17497 1 . ARG 106 106 17497 1 . ALA 107 107 17497 1 . GLN 108 108 17497 1 . GLN 109 109 17497 1 . GLU 110 110 17497 1 . THR 111 111 17497 1 . GLN 112 112 17497 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 17497 _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 $SNX17-PX . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17497 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 17497 _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 $SNX17-PX . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX4T-2 . . . . . . 17497 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17497 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 SNX17-PX '[U-100% 13C; U-100% 15N]' . . 1 $SNX17-PX . . 0.8 . . mM . . . . 17497 1 2 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 17497 1 3 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 17497 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17497 1 5 'Lithium Sulphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17497 1 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17497 1 7 H2O '[U-100% 2H]' . . . . . . 95 . . % . . . . 17497 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 17497 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 17497 1 pH 7 . pH 17497 1 pressure 1 . atm 17497 1 temperature 298 . K 17497 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17497 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17497 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17497 1 stop_ save_ save_Rowland_NMR_Toolkit _Software.Sf_category software _Software.Sf_framecode Rowland_NMR_Toolkit _Software.Entry_ID 17497 _Software.ID 2 _Software.Name 'Rowland NMR Toolkit' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'J. C. Hoch & A. S. Stern' . . 17497 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17497 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 17497 _NMR_spectrometer.ID 1 _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 17497 _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 . 900 . . . 17497 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 17497 _Experiment_list.ID 1 _Experiment_list.Details 'All data used for assignment collected using non-uniform sampling and processed using maximum entropy reconstruction.' 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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17497 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17497 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17497 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17497 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17497 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17497 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17497 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17497 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 17497 _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 water protons . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17497 1 H 1 water protons . . . . ppm 4.777 internal direct 1.000000000 . . . . . . . . . 17497 1 N 15 water protons . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17497 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 17497 _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' . . . 17497 1 2 '3D CBCA(CO)NH' . . . 17497 1 3 '3D 1H-15N NOESY' . . . 17497 1 4 '3D HNCACB' . . . 17497 1 5 '3D HNCO' . . . 17497 1 6 '3D H(CCO)NH' . . . 17497 1 7 '3D C(CO)NH' . . . 17497 1 8 '3D 1H-13C NOESY' . . . 17497 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 4.760 0.020 . 1 . . . . 1 ASN HA . 17497 1 2 . 1 1 1 1 ASN HB2 H 1 2.833 0.020 . 2 . . . . 1 ASN HB2 . 17497 1 3 . 1 1 1 1 ASN HB3 H 1 2.757 0.020 . 2 . . . . 1 ASN HB3 . 17497 1 4 . 1 1 1 1 ASN C C 13 174.145 0.400 . 1 . . . . 1 ASN C . 17497 1 5 . 1 1 1 1 ASN CA C 13 53.266 0.400 . 1 . . . . 1 ASN CA . 17497 1 6 . 1 1 1 1 ASN CB C 13 39.039 0.400 . 1 . . . . 1 ASN CB . 17497 1 7 . 1 1 2 2 ALA H H 1 8.366 0.020 . 1 . . . . 2 ALA H . 17497 1 8 . 1 1 2 2 ALA HA H 1 4.265 0.020 . 1 . . . . 2 ALA HA . 17497 1 9 . 1 1 2 2 ALA HB1 H 1 1.312 0.020 . 1 . . . . 2 ALA HB . 17497 1 10 . 1 1 2 2 ALA HB2 H 1 1.312 0.020 . 1 . . . . 2 ALA HB . 17497 1 11 . 1 1 2 2 ALA HB3 H 1 1.312 0.020 . 1 . . . . 2 ALA HB . 17497 1 12 . 1 1 2 2 ALA C C 13 176.760 0.400 . 1 . . . . 2 ALA C . 17497 1 13 . 1 1 2 2 ALA CA C 13 52.631 0.400 . 1 . . . . 2 ALA CA . 17497 1 14 . 1 1 2 2 ALA CB C 13 19.195 0.400 . 1 . . . . 2 ALA CB . 17497 1 15 . 1 1 2 2 ALA N N 15 124.797 0.400 . 1 . . . . 2 ALA N . 17497 1 16 . 1 1 3 3 MET H H 1 8.352 0.020 . 1 . . . . 3 MET H . 17497 1 17 . 1 1 3 3 MET HA H 1 4.340 0.020 . 1 . . . . 3 MET HA . 17497 1 18 . 1 1 3 3 MET HB2 H 1 1.922 0.020 . 2 . . . . 3 MET HB2 . 17497 1 19 . 1 1 3 3 MET HB3 H 1 1.717 0.020 . 2 . . . . 3 MET HB3 . 17497 1 20 . 1 1 3 3 MET HG2 H 1 2.452 0.020 . 2 . . . . 3 MET HG2 . 17497 1 21 . 1 1 3 3 MET HG3 H 1 2.248 0.020 . 2 . . . . 3 MET HG3 . 17497 1 22 . 1 1 3 3 MET C C 13 173.773 0.400 . 1 . . . . 3 MET C . 17497 1 23 . 1 1 3 3 MET CA C 13 55.424 0.400 . 1 . . . . 3 MET CA . 17497 1 24 . 1 1 3 3 MET CB C 13 34.482 0.400 . 1 . . . . 3 MET CB . 17497 1 25 . 1 1 3 3 MET CG C 13 32.084 0.400 . 1 . . . . 3 MET CG . 17497 1 26 . 1 1 3 3 MET N N 15 120.351 0.400 . 1 . . . . 3 MET N . 17497 1 27 . 1 1 4 4 HIS H H 1 8.469 0.020 . 1 . . . . 4 HIS H . 17497 1 28 . 1 1 4 4 HIS HA H 1 4.976 0.020 . 1 . . . . 4 HIS HA . 17497 1 29 . 1 1 4 4 HIS HB2 H 1 3.261 0.020 . 2 . . . . 4 HIS HB2 . 17497 1 30 . 1 1 4 4 HIS HB3 H 1 3.156 0.020 . 2 . . . . 4 HIS HB3 . 17497 1 31 . 1 1 4 4 HIS C C 13 174.887 0.400 . 1 . . . . 4 HIS C . 17497 1 32 . 1 1 4 4 HIS CA C 13 55.452 0.400 . 1 . . . . 4 HIS CA . 17497 1 33 . 1 1 4 4 HIS CB C 13 30.120 0.400 . 1 . . . . 4 HIS CB . 17497 1 34 . 1 1 4 4 HIS N N 15 121.916 0.400 . 1 . . . . 4 HIS N . 17497 1 35 . 1 1 5 5 PHE H H 1 9.162 0.020 . 1 . . . . 5 PHE H . 17497 1 36 . 1 1 5 5 PHE HA H 1 5.294 0.020 . 1 . . . . 5 PHE HA . 17497 1 37 . 1 1 5 5 PHE HB2 H 1 3.014 0.020 . 2 . . . . 5 PHE HB2 . 17497 1 38 . 1 1 5 5 PHE HB3 H 1 2.808 0.020 . 2 . . . . 5 PHE HB3 . 17497 1 39 . 1 1 5 5 PHE C C 13 174.301 0.400 . 1 . . . . 5 PHE C . 17497 1 40 . 1 1 5 5 PHE CA C 13 58.248 0.400 . 1 . . . . 5 PHE CA . 17497 1 41 . 1 1 5 5 PHE CB C 13 41.823 0.400 . 1 . . . . 5 PHE CB . 17497 1 42 . 1 1 5 5 PHE N N 15 128.875 0.400 . 1 . . . . 5 PHE N . 17497 1 43 . 1 1 6 6 SER H H 1 9.157 0.020 . 1 . . . . 6 SER H . 17497 1 44 . 1 1 6 6 SER HA H 1 4.685 0.020 . 1 . . . . 6 SER HA . 17497 1 45 . 1 1 6 6 SER HB2 H 1 3.893 0.020 . 2 . . . . 6 SER HB2 . 17497 1 46 . 1 1 6 6 SER HB3 H 1 3.835 0.020 . 2 . . . . 6 SER HB3 . 17497 1 47 . 1 1 6 6 SER C C 13 172.250 0.400 . 1 . . . . 6 SER C . 17497 1 48 . 1 1 6 6 SER CA C 13 57.010 0.400 . 1 . . . . 6 SER CA . 17497 1 49 . 1 1 6 6 SER CB C 13 66.515 0.400 . 1 . . . . 6 SER CB . 17497 1 50 . 1 1 6 6 SER N N 15 114.849 0.400 . 1 . . . . 6 SER N . 17497 1 51 . 1 1 7 7 ILE H H 1 10.330 0.020 . 1 . . . . 7 ILE H . 17497 1 52 . 1 1 7 7 ILE N N 15 119.048 0.400 . 1 . . . . 7 ILE N . 17497 1 53 . 1 1 8 8 PRO HA H 1 4.515 0.020 . 1 . . . . 8 PRO HA . 17497 1 54 . 1 1 8 8 PRO HB2 H 1 2.135 0.020 . 2 . . . . 8 PRO HB2 . 17497 1 55 . 1 1 8 8 PRO HG2 H 1 1.874 0.020 . 2 . . . . 8 PRO HG2 . 17497 1 56 . 1 1 8 8 PRO HD2 H 1 4.435 0.020 . 2 . . . . 8 PRO HD2 . 17497 1 57 . 1 1 8 8 PRO C C 13 176.236 0.400 . 1 . . . . 8 PRO C . 17497 1 58 . 1 1 8 8 PRO CA C 13 64.191 0.400 . 1 . . . . 8 PRO CA . 17497 1 59 . 1 1 8 8 PRO CB C 13 32.601 0.400 . 1 . . . . 8 PRO CB . 17497 1 60 . 1 1 8 8 PRO CG C 13 25.743 0.400 . 1 . . . . 8 PRO CG . 17497 1 61 . 1 1 9 9 GLU H H 1 7.010 0.020 . 1 . . . . 9 GLU H . 17497 1 62 . 1 1 9 9 GLU HA H 1 4.881 0.020 . 1 . . . . 9 GLU HA . 17497 1 63 . 1 1 9 9 GLU HB2 H 1 2.000 0.020 . 2 . . . . 9 GLU HB2 . 17497 1 64 . 1 1 9 9 GLU HG2 H 1 2.150 0.020 . 2 . . . . 9 GLU HG2 . 17497 1 65 . 1 1 9 9 GLU HG3 H 1 2.217 0.020 . 2 . . . . 9 GLU HG3 . 17497 1 66 . 1 1 9 9 GLU C C 13 173.249 0.400 . 1 . . . . 9 GLU C . 17497 1 67 . 1 1 9 9 GLU CA C 13 54.501 0.400 . 1 . . . . 9 GLU CA . 17497 1 68 . 1 1 9 9 GLU CB C 13 34.556 0.400 . 1 . . . . 9 GLU CB . 17497 1 69 . 1 1 9 9 GLU CG C 13 35.435 0.400 . 1 . . . . 9 GLU CG . 17497 1 70 . 1 1 9 9 GLU N N 15 113.129 0.400 . 1 . . . . 9 GLU N . 17497 1 71 . 1 1 10 10 THR H H 1 8.125 0.020 . 1 . . . . 10 THR H . 17497 1 72 . 1 1 10 10 THR HA H 1 4.939 0.020 . 1 . . . . 10 THR HA . 17497 1 73 . 1 1 10 10 THR HB H 1 3.813 0.020 . 1 . . . . 10 THR HB . 17497 1 74 . 1 1 10 10 THR C C 13 172.923 0.400 . 1 . . . . 10 THR C . 17497 1 75 . 1 1 10 10 THR CA C 13 59.182 0.400 . 1 . . . . 10 THR CA . 17497 1 76 . 1 1 10 10 THR CB C 13 71.539 0.400 . 1 . . . . 10 THR CB . 17497 1 77 . 1 1 10 10 THR CG2 C 13 22.781 0.400 . 1 . . . . 10 THR CG2 . 17497 1 78 . 1 1 10 10 THR N N 15 110.523 0.400 . 1 . . . . 10 THR N . 17497 1 79 . 1 1 11 11 GLU H H 1 8.800 0.020 . 1 . . . . 11 GLU H . 17497 1 80 . 1 1 11 11 GLU HA H 1 4.600 0.020 . 1 . . . . 11 GLU HA . 17497 1 81 . 1 1 11 11 GLU HB2 H 1 2.120 0.020 . 2 . . . . 11 GLU HB2 . 17497 1 82 . 1 1 11 11 GLU HB3 H 1 1.960 0.020 . 2 . . . . 11 GLU HB3 . 17497 1 83 . 1 1 11 11 GLU HG2 H 1 1.750 0.020 . 2 . . . . 11 GLU HG2 . 17497 1 84 . 1 1 11 11 GLU C C 13 174.299 0.400 . 1 . . . . 11 GLU C . 17497 1 85 . 1 1 11 11 GLU CA C 13 55.059 0.400 . 1 . . . . 11 GLU CA . 17497 1 86 . 1 1 11 11 GLU CB C 13 33.899 0.400 . 1 . . . . 11 GLU CB . 17497 1 87 . 1 1 11 11 GLU CG C 13 36.068 0.400 . 1 . . . . 11 GLU CG . 17497 1 88 . 1 1 11 11 GLU N N 15 118.000 0.400 . 1 . . . . 11 GLU N . 17497 1 89 . 1 1 12 12 SER H H 1 8.645 0.020 . 1 . . . . 12 SER H . 17497 1 90 . 1 1 12 12 SER HB2 H 1 3.734 0.020 . 2 . . . . 12 SER HB2 . 17497 1 91 . 1 1 12 12 SER HB3 H 1 3.661 0.020 . 2 . . . . 12 SER HB3 . 17497 1 92 . 1 1 12 12 SER C C 13 173.768 0.400 . 1 . . . . 12 SER C . 17497 1 93 . 1 1 12 12 SER CA C 13 57.613 0.400 . 1 . . . . 12 SER CA . 17497 1 94 . 1 1 12 12 SER CB C 13 63.086 0.400 . 1 . . . . 12 SER CB . 17497 1 95 . 1 1 12 12 SER N N 15 119.250 0.400 . 1 . . . . 12 SER N . 17497 1 96 . 1 1 13 13 ARG H H 1 8.631 0.020 . 1 . . . . 13 ARG H . 17497 1 97 . 1 1 13 13 ARG HA H 1 4.502 0.020 . 1 . . . . 13 ARG HA . 17497 1 98 . 1 1 13 13 ARG HB2 H 1 0.718 0.020 . 2 . . . . 13 ARG HB2 . 17497 1 99 . 1 1 13 13 ARG HG2 H 1 1.532 0.020 . 2 . . . . 13 ARG HG2 . 17497 1 100 . 1 1 13 13 ARG HG3 H 1 1.327 0.020 . 2 . . . . 13 ARG HG3 . 17497 1 101 . 1 1 13 13 ARG HD2 H 1 3.048 0.020 . 2 . . . . 13 ARG HD2 . 17497 1 102 . 1 1 13 13 ARG C C 13 174.594 0.400 . 1 . . . . 13 ARG C . 17497 1 103 . 1 1 13 13 ARG CA C 13 53.887 0.400 . 1 . . . . 13 ARG CA . 17497 1 104 . 1 1 13 13 ARG CB C 13 32.003 0.400 . 1 . . . . 13 ARG CB . 17497 1 105 . 1 1 13 13 ARG CG C 13 26.892 0.400 . 1 . . . . 13 ARG CG . 17497 1 106 . 1 1 13 13 ARG CD C 13 42.776 0.400 . 1 . . . . 13 ARG CD . 17497 1 107 . 1 1 13 13 ARG N N 15 126.241 0.400 . 1 . . . . 13 ARG N . 17497 1 108 . 1 1 14 14 SER H H 1 8.359 0.020 . 1 . . . . 14 SER H . 17497 1 109 . 1 1 14 14 SER HB2 H 1 3.851 0.020 . 2 . . . . 14 SER HB2 . 17497 1 110 . 1 1 14 14 SER C C 13 174.476 0.400 . 1 . . . . 14 SER C . 17497 1 111 . 1 1 14 14 SER CA C 13 58.243 0.400 . 1 . . . . 14 SER CA . 17497 1 112 . 1 1 14 14 SER CB C 13 64.200 0.400 . 1 . . . . 14 SER CB . 17497 1 113 . 1 1 14 14 SER N N 15 115.426 0.400 . 1 . . . . 14 SER N . 17497 1 114 . 1 1 15 15 GLY H H 1 8.396 0.020 . 1 . . . . 15 GLY H . 17497 1 115 . 1 1 15 15 GLY HA2 H 1 3.985 0.020 . 2 . . . . 15 GLY HA2 . 17497 1 116 . 1 1 15 15 GLY HA3 H 1 3.921 0.020 . 2 . . . . 15 GLY HA3 . 17497 1 117 . 1 1 15 15 GLY C C 13 173.593 0.400 . 1 . . . . 15 GLY C . 17497 1 118 . 1 1 15 15 GLY CA C 13 45.456 0.400 . 1 . . . . 15 GLY CA . 17497 1 119 . 1 1 15 15 GLY N N 15 109.928 0.400 . 1 . . . . 15 GLY N . 17497 1 120 . 1 1 16 16 ASP H H 1 8.219 0.020 . 1 . . . . 16 ASP H . 17497 1 121 . 1 1 16 16 ASP HB2 H 1 2.735 0.020 . 2 . . . . 16 ASP HB2 . 17497 1 122 . 1 1 16 16 ASP HB3 H 1 2.669 0.020 . 2 . . . . 16 ASP HB3 . 17497 1 123 . 1 1 16 16 ASP C C 13 176.233 0.400 . 1 . . . . 16 ASP C . 17497 1 124 . 1 1 16 16 ASP CA C 13 54.358 0.400 . 1 . . . . 16 ASP CA . 17497 1 125 . 1 1 16 16 ASP CB C 13 41.529 0.400 . 1 . . . . 16 ASP CB . 17497 1 126 . 1 1 16 16 ASP CG C 13 40.690 0.400 . 1 . . . . 16 ASP CG . 17497 1 127 . 1 1 16 16 ASP N N 15 120.549 0.400 . 1 . . . . 16 ASP N . 17497 1 128 . 1 1 17 17 SER H H 1 8.388 0.020 . 1 . . . . 17 SER H . 17497 1 129 . 1 1 17 17 SER HB2 H 1 3.953 0.020 . 2 . . . . 17 SER HB2 . 17497 1 130 . 1 1 17 17 SER HB3 H 1 3.888 0.020 . 2 . . . . 17 SER HB3 . 17497 1 131 . 1 1 17 17 SER C C 13 174.832 0.400 . 1 . . . . 17 SER C . 17497 1 132 . 1 1 17 17 SER CA C 13 62.691 0.400 . 1 . . . . 17 SER CA . 17497 1 133 . 1 1 17 17 SER CB C 13 63.552 0.400 . 1 . . . . 17 SER CB . 17497 1 134 . 1 1 17 17 SER N N 15 116.499 0.400 . 1 . . . . 17 SER N . 17497 1 135 . 1 1 18 18 GLY H H 1 8.484 0.020 . 1 . . . . 18 GLY H . 17497 1 136 . 1 1 18 18 GLY HA2 H 1 4.116 0.020 . 2 . . . . 18 GLY HA2 . 17497 1 137 . 1 1 18 18 GLY HA3 H 1 3.904 0.020 . 2 . . . . 18 GLY HA3 . 17497 1 138 . 1 1 18 18 GLY C C 13 174.534 0.400 . 1 . . . . 18 GLY C . 17497 1 139 . 1 1 18 18 GLY CA C 13 45.464 0.400 . 1 . . . . 18 GLY CA . 17497 1 140 . 1 1 18 18 GLY N N 15 110.678 0.400 . 1 . . . . 18 GLY N . 17497 1 141 . 1 1 19 19 GLY H H 1 8.102 0.020 . 1 . . . . 19 GLY H . 17497 1 142 . 1 1 19 19 GLY HA2 H 1 4.157 0.020 . 2 . . . . 19 GLY HA2 . 17497 1 143 . 1 1 19 19 GLY HA3 H 1 4.014 0.020 . 2 . . . . 19 GLY HA3 . 17497 1 144 . 1 1 19 19 GLY C C 13 173.339 0.400 . 1 . . . . 19 GLY C . 17497 1 145 . 1 1 19 19 GLY CA C 13 44.982 0.400 . 1 . . . . 19 GLY CA . 17497 1 146 . 1 1 19 19 GLY N N 15 108.826 0.400 . 1 . . . . 19 GLY N . 17497 1 147 . 1 1 20 20 SER H H 1 8.241 0.020 . 1 . . . . 20 SER H . 17497 1 148 . 1 1 20 20 SER HA H 1 3.981 0.020 . 1 . . . . 20 SER HA . 17497 1 149 . 1 1 20 20 SER HB2 H 1 3.929 0.020 . 2 . . . . 20 SER HB2 . 17497 1 150 . 1 1 20 20 SER HB3 H 1 3.843 0.020 . 2 . . . . 20 SER HB3 . 17497 1 151 . 1 1 20 20 SER C C 13 173.594 0.400 . 1 . . . . 20 SER C . 17497 1 152 . 1 1 20 20 SER CA C 13 58.066 0.400 . 1 . . . . 20 SER CA . 17497 1 153 . 1 1 20 20 SER CB C 13 64.381 0.400 . 1 . . . . 20 SER CB . 17497 1 154 . 1 1 20 20 SER N N 15 115.350 0.400 . 1 . . . . 20 SER N . 17497 1 155 . 1 1 21 21 ALA H H 1 8.381 0.020 . 1 . . . . 21 ALA H . 17497 1 156 . 1 1 21 21 ALA HA H 1 4.648 0.020 . 1 . . . . 21 ALA HA . 17497 1 157 . 1 1 21 21 ALA HB1 H 1 1.344 0.020 . 1 . . . . 21 ALA HB . 17497 1 158 . 1 1 21 21 ALA HB2 H 1 1.344 0.020 . 1 . . . . 21 ALA HB . 17497 1 159 . 1 1 21 21 ALA HB3 H 1 1.344 0.020 . 1 . . . . 21 ALA HB . 17497 1 160 . 1 1 21 21 ALA C C 13 176.762 0.400 . 1 . . . . 21 ALA C . 17497 1 161 . 1 1 21 21 ALA CA C 13 52.468 0.400 . 1 . . . . 21 ALA CA . 17497 1 162 . 1 1 21 21 ALA CB C 13 19.960 0.400 . 1 . . . . 21 ALA CB . 17497 1 163 . 1 1 21 21 ALA N N 15 125.816 0.400 . 1 . . . . 21 ALA N . 17497 1 164 . 1 1 22 22 TYR H H 1 8.454 0.020 . 1 . . . . 22 TYR H . 17497 1 165 . 1 1 22 22 TYR HA H 1 5.055 0.020 . 1 . . . . 22 TYR HA . 17497 1 166 . 1 1 22 22 TYR HB2 H 1 3.069 0.020 . 2 . . . . 22 TYR HB2 . 17497 1 167 . 1 1 22 22 TYR C C 13 172.484 0.400 . 1 . . . . 22 TYR C . 17497 1 168 . 1 1 22 22 TYR CB C 13 45.281 0.400 . 1 . . . . 22 TYR CB . 17497 1 169 . 1 1 22 22 TYR N N 15 117.842 0.400 . 1 . . . . 22 TYR N . 17497 1 170 . 1 1 23 23 VAL H H 1 8.564 0.020 . 1 . . . . 23 VAL H . 17497 1 171 . 1 1 23 23 VAL HA H 1 4.358 0.020 . 1 . . . . 23 VAL HA . 17497 1 172 . 1 1 23 23 VAL HB H 1 1.985 0.020 . 1 . . . . 23 VAL HB . 17497 1 173 . 1 1 23 23 VAL HG11 H 1 0.936 0.020 . 2 . . . . 23 VAL HG1 . 17497 1 174 . 1 1 23 23 VAL HG12 H 1 0.936 0.020 . 2 . . . . 23 VAL HG1 . 17497 1 175 . 1 1 23 23 VAL HG13 H 1 0.936 0.020 . 2 . . . . 23 VAL HG1 . 17497 1 176 . 1 1 23 23 VAL HG21 H 1 0.484 0.020 . 2 . . . . 23 VAL HG2 . 17497 1 177 . 1 1 23 23 VAL HG22 H 1 0.484 0.020 . 2 . . . . 23 VAL HG2 . 17497 1 178 . 1 1 23 23 VAL HG23 H 1 0.484 0.020 . 2 . . . . 23 VAL HG2 . 17497 1 179 . 1 1 23 23 VAL C C 13 174.243 0.400 . 1 . . . . 23 VAL C . 17497 1 180 . 1 1 23 23 VAL CA C 13 62.132 0.400 . 1 . . . . 23 VAL CA . 17497 1 181 . 1 1 23 23 VAL CB C 13 33.262 0.400 . 1 . . . . 23 VAL CB . 17497 1 182 . 1 1 23 23 VAL CG1 C 13 21.842 0.400 . 1 . . . . 23 VAL CG1 . 17497 1 183 . 1 1 23 23 VAL CG2 C 13 20.910 0.400 . 1 . . . . 23 VAL CG2 . 17497 1 184 . 1 1 23 23 VAL N N 15 120.775 0.400 . 1 . . . . 23 VAL N . 17497 1 185 . 1 1 24 24 ALA H H 1 9.055 0.020 . 1 . . . . 24 ALA H . 17497 1 186 . 1 1 24 24 ALA HA H 1 5.000 0.020 . 1 . . . . 24 ALA HA . 17497 1 187 . 1 1 24 24 ALA HB1 H 1 1.279 0.020 . 1 . . . . 24 ALA HB . 17497 1 188 . 1 1 24 24 ALA HB2 H 1 1.279 0.020 . 1 . . . . 24 ALA HB . 17497 1 189 . 1 1 24 24 ALA HB3 H 1 1.279 0.020 . 1 . . . . 24 ALA HB . 17497 1 190 . 1 1 24 24 ALA C C 13 174.184 0.400 . 1 . . . . 24 ALA C . 17497 1 191 . 1 1 24 24 ALA CA C 13 49.492 0.400 . 1 . . . . 24 ALA CA . 17497 1 192 . 1 1 24 24 ALA CB C 13 21.839 0.400 . 1 . . . . 24 ALA CB . 17497 1 193 . 1 1 24 24 ALA N N 15 129.583 0.400 . 1 . . . . 24 ALA N . 17497 1 194 . 1 1 25 25 TYR H H 1 9.495 0.020 . 1 . . . . 25 TYR H . 17497 1 195 . 1 1 25 25 TYR HA H 1 4.203 0.020 . 1 . . . . 25 TYR HA . 17497 1 196 . 1 1 25 25 TYR HB2 H 1 2.968 0.020 . 2 . . . . 25 TYR HB2 . 17497 1 197 . 1 1 25 25 TYR HB3 H 1 2.827 0.020 . 2 . . . . 25 TYR HB3 . 17497 1 198 . 1 1 25 25 TYR C C 13 174.116 0.400 . 1 . . . . 25 TYR C . 17497 1 199 . 1 1 25 25 TYR CA C 13 58.299 0.400 . 1 . . . . 25 TYR CA . 17497 1 200 . 1 1 25 25 TYR CB C 13 38.715 0.400 . 1 . . . . 25 TYR CB . 17497 1 201 . 1 1 25 25 TYR N N 15 119.742 0.400 . 1 . . . . 25 TYR N . 17497 1 202 . 1 1 26 26 ASN H H 1 7.803 0.020 . 1 . . . . 26 ASN H . 17497 1 203 . 1 1 26 26 ASN HB2 H 1 3.046 0.020 . 2 . . . . 26 ASN HB2 . 17497 1 204 . 1 1 26 26 ASN HB3 H 1 2.530 0.020 . 2 . . . . 26 ASN HB3 . 17497 1 205 . 1 1 26 26 ASN CB C 13 37.767 0.400 . 1 . . . . 26 ASN CB . 17497 1 206 . 1 1 26 26 ASN N N 15 123.976 0.400 . 1 . . . . 26 ASN N . 17497 1 207 . 1 1 27 27 ILE H H 1 9.077 0.020 . 1 . . . . 27 ILE H . 17497 1 208 . 1 1 27 27 ILE HB H 1 2.696 0.020 . 1 . . . . 27 ILE HB . 17497 1 209 . 1 1 27 27 ILE HG21 H 1 0.984 0.020 . 1 . . . . 27 ILE HG2 . 17497 1 210 . 1 1 27 27 ILE HG22 H 1 0.984 0.020 . 1 . . . . 27 ILE HG2 . 17497 1 211 . 1 1 27 27 ILE HG23 H 1 0.984 0.020 . 1 . . . . 27 ILE HG2 . 17497 1 212 . 1 1 27 27 ILE C C 13 176.233 0.400 . 1 . . . . 27 ILE C . 17497 1 213 . 1 1 27 27 ILE CA C 13 61.987 0.400 . 1 . . . . 27 ILE CA . 17497 1 214 . 1 1 27 27 ILE CB C 13 36.903 0.400 . 1 . . . . 27 ILE CB . 17497 1 215 . 1 1 27 27 ILE CG1 C 13 17.573 0.400 . 1 . . . . 27 ILE CG1 . 17497 1 216 . 1 1 27 27 ILE N N 15 124.853 0.400 . 1 . . . . 27 ILE N . 17497 1 217 . 1 1 28 28 HIS H H 1 10.118 0.020 . 1 . . . . 28 HIS H . 17497 1 218 . 1 1 28 28 HIS HA H 1 5.306 0.020 . 1 . . . . 28 HIS HA . 17497 1 219 . 1 1 28 28 HIS HB2 H 1 2.406 0.020 . 2 . . . . 28 HIS HB2 . 17497 1 220 . 1 1 28 28 HIS C C 13 174.006 0.400 . 1 . . . . 28 HIS C . 17497 1 221 . 1 1 28 28 HIS CA C 13 55.023 0.400 . 1 . . . . 28 HIS CA . 17497 1 222 . 1 1 28 28 HIS CB C 13 36.062 0.400 . 1 . . . . 28 HIS CB . 17497 1 223 . 1 1 28 28 HIS CD2 C 13 34.022 0.400 . 1 . . . . 28 HIS CD2 . 17497 1 224 . 1 1 28 28 HIS N N 15 130.801 0.400 . 1 . . . . 28 HIS N . 17497 1 225 . 1 1 29 29 VAL H H 1 8.675 0.020 . 1 . . . . 29 VAL H . 17497 1 226 . 1 1 29 29 VAL HA H 1 4.366 0.020 . 1 . . . . 29 VAL HA . 17497 1 227 . 1 1 29 29 VAL HB H 1 1.625 0.020 . 1 . . . . 29 VAL HB . 17497 1 228 . 1 1 29 29 VAL HG11 H 1 0.064 0.020 . 2 . . . . 29 VAL HG1 . 17497 1 229 . 1 1 29 29 VAL HG12 H 1 0.064 0.020 . 2 . . . . 29 VAL HG1 . 17497 1 230 . 1 1 29 29 VAL HG13 H 1 0.064 0.020 . 2 . . . . 29 VAL HG1 . 17497 1 231 . 1 1 29 29 VAL HG21 H 1 0.564 0.020 . 2 . . . . 29 VAL HG2 . 17497 1 232 . 1 1 29 29 VAL HG22 H 1 0.564 0.020 . 2 . . . . 29 VAL HG2 . 17497 1 233 . 1 1 29 29 VAL HG23 H 1 0.564 0.020 . 2 . . . . 29 VAL HG2 . 17497 1 234 . 1 1 29 29 VAL C C 13 176.118 0.400 . 1 . . . . 29 VAL C . 17497 1 235 . 1 1 29 29 VAL CA C 13 61.043 0.400 . 1 . . . . 29 VAL CA . 17497 1 236 . 1 1 29 29 VAL CB C 13 33.869 0.400 . 1 . . . . 29 VAL CB . 17497 1 237 . 1 1 29 29 VAL CG1 C 13 21.361 0.400 . 1 . . . . 29 VAL CG1 . 17497 1 238 . 1 1 29 29 VAL N N 15 119.473 0.400 . 1 . . . . 29 VAL N . 17497 1 239 . 1 1 30 30 ASN H H 1 9.503 0.020 . 1 . . . . 30 ASN H . 17497 1 240 . 1 1 30 30 ASN HA H 1 4.534 0.020 . 1 . . . . 30 ASN HA . 17497 1 241 . 1 1 30 30 ASN HB2 H 1 3.130 0.020 . 2 . . . . 30 ASN HB2 . 17497 1 242 . 1 1 30 30 ASN HB3 H 1 2.985 0.020 . 2 . . . . 30 ASN HB3 . 17497 1 243 . 1 1 30 30 ASN C C 13 175.121 0.400 . 1 . . . . 30 ASN C . 17497 1 244 . 1 1 30 30 ASN CA C 13 54.330 0.400 . 1 . . . . 30 ASN CA . 17497 1 245 . 1 1 30 30 ASN CB C 13 36.695 0.400 . 1 . . . . 30 ASN CB . 17497 1 246 . 1 1 30 30 ASN N N 15 126.638 0.400 . 1 . . . . 30 ASN N . 17497 1 247 . 1 1 31 31 GLY H H 1 8.740 0.020 . 1 . . . . 31 GLY H . 17497 1 248 . 1 1 31 31 GLY HA2 H 1 4.212 0.020 . 2 . . . . 31 GLY HA2 . 17497 1 249 . 1 1 31 31 GLY HA3 H 1 3.796 0.020 . 2 . . . . 31 GLY HA3 . 17497 1 250 . 1 1 31 31 GLY C C 13 173.243 0.400 . 1 . . . . 31 GLY C . 17497 1 251 . 1 1 31 31 GLY CA C 13 45.746 0.400 . 1 . . . . 31 GLY CA . 17497 1 252 . 1 1 31 31 GLY N N 15 130.829 0.400 . 1 . . . . 31 GLY N . 17497 1 253 . 1 1 32 32 VAL H H 1 7.538 0.020 . 1 . . . . 32 VAL H . 17497 1 254 . 1 1 32 32 VAL C C 13 174.299 0.400 . 1 . . . . 32 VAL C . 17497 1 255 . 1 1 32 32 VAL N N 15 119.593 0.400 . 1 . . . . 32 VAL N . 17497 1 256 . 1 1 33 33 LEU H H 1 7.223 0.020 . 1 . . . . 33 LEU H . 17497 1 257 . 1 1 33 33 LEU HA H 1 4.123 0.020 . 1 . . . . 33 LEU HA . 17497 1 258 . 1 1 33 33 LEU HB2 H 1 3.993 0.020 . 2 . . . . 33 LEU HB2 . 17497 1 259 . 1 1 33 33 LEU HB3 H 1 3.890 0.020 . 2 . . . . 33 LEU HB3 . 17497 1 260 . 1 1 33 33 LEU C C 13 174.475 0.400 . 1 . . . . 33 LEU C . 17497 1 261 . 1 1 33 33 LEU CB C 13 45.583 0.400 . 1 . . . . 33 LEU CB . 17497 1 262 . 1 1 33 33 LEU N N 15 112.757 0.400 . 1 . . . . 33 LEU N . 17497 1 263 . 1 1 34 34 HIS H H 1 8.263 0.020 . 1 . . . . 34 HIS H . 17497 1 264 . 1 1 34 34 HIS HA H 1 4.640 0.020 . 1 . . . . 34 HIS HA . 17497 1 265 . 1 1 34 34 HIS HB2 H 1 3.110 0.020 . 2 . . . . 34 HIS HB2 . 17497 1 266 . 1 1 34 34 HIS HB3 H 1 2.925 0.020 . 2 . . . . 34 HIS HB3 . 17497 1 267 . 1 1 34 34 HIS C C 13 174.501 0.400 . 1 . . . . 34 HIS C . 17497 1 268 . 1 1 34 34 HIS CA C 13 58.373 0.400 . 1 . . . . 34 HIS CA . 17497 1 269 . 1 1 34 34 HIS CB C 13 34.860 0.400 . 1 . . . . 34 HIS CB . 17497 1 270 . 1 1 34 34 HIS N N 15 108.739 0.400 . 1 . . . . 34 HIS N . 17497 1 271 . 1 1 35 35 CYS H H 1 8.168 0.020 . 1 . . . . 35 CYS H . 17497 1 272 . 1 1 35 35 CYS HA H 1 4.891 0.020 . 1 . . . . 35 CYS HA . 17497 1 273 . 1 1 35 35 CYS HB2 H 1 2.828 0.020 . 2 . . . . 35 CYS HB2 . 17497 1 274 . 1 1 35 35 CYS HB3 H 1 2.460 0.020 . 2 . . . . 35 CYS HB3 . 17497 1 275 . 1 1 35 35 CYS C C 13 169.961 0.400 . 1 . . . . 35 CYS C . 17497 1 276 . 1 1 35 35 CYS CA C 13 55.200 0.400 . 1 . . . . 35 CYS CA . 17497 1 277 . 1 1 35 35 CYS CB C 13 30.199 0.400 . 1 . . . . 35 CYS CB . 17497 1 278 . 1 1 35 35 CYS N N 15 108.297 0.400 . 1 . . . . 35 CYS N . 17497 1 279 . 1 1 36 36 ARG H H 1 8.256 0.020 . 1 . . . . 36 ARG H . 17497 1 280 . 1 1 36 36 ARG HA H 1 5.547 0.020 . 1 . . . . 36 ARG HA . 17497 1 281 . 1 1 36 36 ARG HB2 H 1 1.697 0.020 . 2 . . . . 36 ARG HB2 . 17497 1 282 . 1 1 36 36 ARG HB3 H 1 1.547 0.020 . 2 . . . . 36 ARG HB3 . 17497 1 283 . 1 1 36 36 ARG HD2 H 1 3.061 0.020 . 2 . . . . 36 ARG HD2 . 17497 1 284 . 1 1 36 36 ARG C C 13 175.649 0.400 . 1 . . . . 36 ARG C . 17497 1 285 . 1 1 36 36 ARG CA C 13 54.995 0.400 . 1 . . . . 36 ARG CA . 17497 1 286 . 1 1 36 36 ARG CB C 13 32.496 0.400 . 1 . . . . 36 ARG CB . 17497 1 287 . 1 1 36 36 ARG CG C 13 28.083 0.400 . 1 . . . . 36 ARG CG . 17497 1 288 . 1 1 36 36 ARG CD C 13 43.419 0.400 . 1 . . . . 36 ARG CD . 17497 1 289 . 1 1 36 36 ARG N N 15 121.767 0.400 . 1 . . . . 36 ARG N . 17497 1 290 . 1 1 37 37 VAL H H 1 8.908 0.020 . 1 . . . . 37 VAL H . 17497 1 291 . 1 1 37 37 VAL HA H 1 5.352 0.020 . 1 . . . . 37 VAL HA . 17497 1 292 . 1 1 37 37 VAL HB H 1 2.391 0.020 . 1 . . . . 37 VAL HB . 17497 1 293 . 1 1 37 37 VAL HG11 H 1 1.046 0.020 . 2 . . . . 37 VAL HG1 . 17497 1 294 . 1 1 37 37 VAL HG12 H 1 1.046 0.020 . 2 . . . . 37 VAL HG1 . 17497 1 295 . 1 1 37 37 VAL HG13 H 1 1.046 0.020 . 2 . . . . 37 VAL HG1 . 17497 1 296 . 1 1 37 37 VAL HG21 H 1 1.133 0.020 . 2 . . . . 37 VAL HG2 . 17497 1 297 . 1 1 37 37 VAL HG22 H 1 1.133 0.020 . 2 . . . . 37 VAL HG2 . 17497 1 298 . 1 1 37 37 VAL HG23 H 1 1.133 0.020 . 2 . . . . 37 VAL HG2 . 17497 1 299 . 1 1 37 37 VAL C C 13 174.361 0.400 . 1 . . . . 37 VAL C . 17497 1 300 . 1 1 37 37 VAL CA C 13 58.503 0.400 . 1 . . . . 37 VAL CA . 17497 1 301 . 1 1 37 37 VAL CB C 13 37.027 0.400 . 1 . . . . 37 VAL CB . 17497 1 302 . 1 1 37 37 VAL CG1 C 13 23.127 0.400 . 1 . . . . 37 VAL CG1 . 17497 1 303 . 1 1 37 37 VAL CG2 C 13 19.489 0.400 . 1 . . . . 37 VAL CG2 . 17497 1 304 . 1 1 37 37 VAL N N 15 115.166 0.400 . 1 . . . . 37 VAL N . 17497 1 305 . 1 1 38 38 ARG H H 1 8.975 0.020 . 1 . . . . 38 ARG H . 17497 1 306 . 1 1 38 38 ARG HA H 1 5.444 0.020 . 1 . . . . 38 ARG HA . 17497 1 307 . 1 1 38 38 ARG HB2 H 1 2.578 0.020 . 2 . . . . 38 ARG HB2 . 17497 1 308 . 1 1 38 38 ARG HG2 H 1 2.139 0.020 . 2 . . . . 38 ARG HG2 . 17497 1 309 . 1 1 38 38 ARG C C 13 177.463 0.400 . 1 . . . . 38 ARG C . 17497 1 310 . 1 1 38 38 ARG CA C 13 44.245 0.400 . 1 . . . . 38 ARG CA . 17497 1 311 . 1 1 38 38 ARG CG C 13 26.072 0.400 . 1 . . . . 38 ARG CG . 17497 1 312 . 1 1 38 38 ARG N N 15 119.791 0.400 . 1 . . . . 38 ARG N . 17497 1 313 . 1 1 39 39 TYR H H 1 10.301 0.020 . 1 . . . . 39 TYR H . 17497 1 314 . 1 1 39 39 TYR HA H 1 4.009 0.020 . 1 . . . . 39 TYR HA . 17497 1 315 . 1 1 39 39 TYR HB2 H 1 3.640 0.020 . 2 . . . . 39 TYR HB2 . 17497 1 316 . 1 1 39 39 TYR HB3 H 1 3.149 0.020 . 2 . . . . 39 TYR HB3 . 17497 1 317 . 1 1 39 39 TYR C C 13 176.996 0.400 . 1 . . . . 39 TYR C . 17497 1 318 . 1 1 39 39 TYR CA C 13 63.557 0.400 . 1 . . . . 39 TYR CA . 17497 1 319 . 1 1 39 39 TYR CB C 13 38.701 0.400 . 1 . . . . 39 TYR CB . 17497 1 320 . 1 1 39 39 TYR N N 15 125.114 0.400 . 1 . . . . 39 TYR N . 17497 1 321 . 1 1 40 40 SER H H 1 9.466 0.020 . 1 . . . . 40 SER H . 17497 1 322 . 1 1 40 40 SER HA H 1 4.783 0.020 . 1 . . . . 40 SER HA . 17497 1 323 . 1 1 40 40 SER HB2 H 1 3.903 0.020 . 2 . . . . 40 SER HB2 . 17497 1 324 . 1 1 40 40 SER C C 13 177.228 0.400 . 1 . . . . 40 SER C . 17497 1 325 . 1 1 40 40 SER CB C 13 62.138 0.400 . 1 . . . . 40 SER CB . 17497 1 326 . 1 1 40 40 SER N N 15 113.198 0.400 . 1 . . . . 40 SER N . 17497 1 327 . 1 1 41 41 GLN H H 1 7.281 0.020 . 1 . . . . 41 GLN H . 17497 1 328 . 1 1 41 41 GLN HA H 1 4.374 0.020 . 1 . . . . 41 GLN HA . 17497 1 329 . 1 1 41 41 GLN HB2 H 1 2.718 0.020 . 2 . . . . 41 GLN HB2 . 17497 1 330 . 1 1 41 41 GLN HB3 H 1 2.407 0.020 . 2 . . . . 41 GLN HB3 . 17497 1 331 . 1 1 41 41 GLN C C 13 178.633 0.400 . 1 . . . . 41 GLN C . 17497 1 332 . 1 1 41 41 GLN CA C 13 58.562 0.400 . 1 . . . . 41 GLN CA . 17497 1 333 . 1 1 41 41 GLN CB C 13 30.270 0.400 . 1 . . . . 41 GLN CB . 17497 1 334 . 1 1 41 41 GLN CG C 13 35.881 0.400 . 1 . . . . 41 GLN CG . 17497 1 335 . 1 1 41 41 GLN N N 15 121.545 0.400 . 1 . . . . 41 GLN N . 17497 1 336 . 1 1 42 42 LEU H H 1 7.472 0.020 . 1 . . . . 42 LEU H . 17497 1 337 . 1 1 42 42 LEU HA H 1 3.944 0.020 . 1 . . . . 42 LEU HA . 17497 1 338 . 1 1 42 42 LEU HB2 H 1 2.000 0.020 . 2 . . . . 42 LEU HB2 . 17497 1 339 . 1 1 42 42 LEU HG H 1 1.425 0.020 . 1 . . . . 42 LEU HG . 17497 1 340 . 1 1 42 42 LEU HD11 H 1 0.999 0.020 . 2 . . . . 42 LEU HD1 . 17497 1 341 . 1 1 42 42 LEU HD12 H 1 0.999 0.020 . 2 . . . . 42 LEU HD1 . 17497 1 342 . 1 1 42 42 LEU HD13 H 1 0.999 0.020 . 2 . . . . 42 LEU HD1 . 17497 1 343 . 1 1 42 42 LEU HD21 H 1 0.921 0.020 . 2 . . . . 42 LEU HD2 . 17497 1 344 . 1 1 42 42 LEU HD22 H 1 0.921 0.020 . 2 . . . . 42 LEU HD2 . 17497 1 345 . 1 1 42 42 LEU HD23 H 1 0.921 0.020 . 2 . . . . 42 LEU HD2 . 17497 1 346 . 1 1 42 42 LEU C C 13 176.263 0.400 . 1 . . . . 42 LEU C . 17497 1 347 . 1 1 42 42 LEU CA C 13 57.455 0.400 . 1 . . . . 42 LEU CA . 17497 1 348 . 1 1 42 42 LEU CB C 13 41.202 0.400 . 1 . . . . 42 LEU CB . 17497 1 349 . 1 1 42 42 LEU CG C 13 27.320 0.400 . 1 . . . . 42 LEU CG . 17497 1 350 . 1 1 42 42 LEU N N 15 121.710 0.400 . 1 . . . . 42 LEU N . 17497 1 351 . 1 1 43 43 LEU H H 1 8.557 0.020 . 1 . . . . 43 LEU H . 17497 1 352 . 1 1 43 43 LEU HA H 1 3.079 0.020 . 1 . . . . 43 LEU HA . 17497 1 353 . 1 1 43 43 LEU HB2 H 1 1.547 0.020 . 2 . . . . 43 LEU HB2 . 17497 1 354 . 1 1 43 43 LEU HB3 H 1 1.360 0.020 . 2 . . . . 43 LEU HB3 . 17497 1 355 . 1 1 43 43 LEU HG H 1 0.939 0.020 . 1 . . . . 43 LEU HG . 17497 1 356 . 1 1 43 43 LEU HD11 H 1 0.844 0.020 . 2 . . . . 43 LEU HD1 . 17497 1 357 . 1 1 43 43 LEU HD12 H 1 0.844 0.020 . 2 . . . . 43 LEU HD1 . 17497 1 358 . 1 1 43 43 LEU HD13 H 1 0.844 0.020 . 2 . . . . 43 LEU HD1 . 17497 1 359 . 1 1 43 43 LEU HD21 H 1 0.783 0.020 . 2 . . . . 43 LEU HD2 . 17497 1 360 . 1 1 43 43 LEU HD22 H 1 0.783 0.020 . 2 . . . . 43 LEU HD2 . 17497 1 361 . 1 1 43 43 LEU HD23 H 1 0.783 0.020 . 2 . . . . 43 LEU HD2 . 17497 1 362 . 1 1 43 43 LEU C C 13 177.640 0.400 . 1 . . . . 43 LEU C . 17497 1 363 . 1 1 43 43 LEU CA C 13 57.179 0.400 . 1 . . . . 43 LEU CA . 17497 1 364 . 1 1 43 43 LEU CB C 13 40.636 0.400 . 1 . . . . 43 LEU CB . 17497 1 365 . 1 1 43 43 LEU CG C 13 26.189 0.400 . 1 . . . . 43 LEU CG . 17497 1 366 . 1 1 43 43 LEU N N 15 121.944 0.400 . 1 . . . . 43 LEU N . 17497 1 367 . 1 1 44 44 GLY H H 1 7.397 0.020 . 1 . . . . 44 GLY H . 17497 1 368 . 1 1 44 44 GLY HA2 H 1 3.827 0.020 . 2 . . . . 44 GLY HA2 . 17497 1 369 . 1 1 44 44 GLY HA3 H 1 3.750 0.020 . 2 . . . . 44 GLY HA3 . 17497 1 370 . 1 1 44 44 GLY C C 13 176.062 0.400 . 1 . . . . 44 GLY C . 17497 1 371 . 1 1 44 44 GLY CA C 13 46.998 0.400 . 1 . . . . 44 GLY CA . 17497 1 372 . 1 1 44 44 GLY N N 15 104.837 0.400 . 1 . . . . 44 GLY N . 17497 1 373 . 1 1 45 45 LEU H H 1 7.097 0.020 . 1 . . . . 45 LEU H . 17497 1 374 . 1 1 45 45 LEU HA H 1 4.046 0.020 . 1 . . . . 45 LEU HA . 17497 1 375 . 1 1 45 45 LEU HB2 H 1 1.875 0.020 . 2 . . . . 45 LEU HB2 . 17497 1 376 . 1 1 45 45 LEU HG H 1 1.451 0.020 . 1 . . . . 45 LEU HG . 17497 1 377 . 1 1 45 45 LEU HD11 H 1 0.783 0.020 . 2 . . . . 45 LEU HD1 . 17497 1 378 . 1 1 45 45 LEU HD12 H 1 0.783 0.020 . 2 . . . . 45 LEU HD1 . 17497 1 379 . 1 1 45 45 LEU HD13 H 1 0.783 0.020 . 2 . . . . 45 LEU HD1 . 17497 1 380 . 1 1 45 45 LEU HD21 H 1 0.572 0.020 . 2 . . . . 45 LEU HD2 . 17497 1 381 . 1 1 45 45 LEU HD22 H 1 0.572 0.020 . 2 . . . . 45 LEU HD2 . 17497 1 382 . 1 1 45 45 LEU HD23 H 1 0.572 0.020 . 2 . . . . 45 LEU HD2 . 17497 1 383 . 1 1 45 45 LEU C C 13 176.468 0.400 . 1 . . . . 45 LEU C . 17497 1 384 . 1 1 45 45 LEU CA C 13 57.988 0.400 . 1 . . . . 45 LEU CA . 17497 1 385 . 1 1 45 45 LEU CB C 13 39.818 0.400 . 1 . . . . 45 LEU CB . 17497 1 386 . 1 1 45 45 LEU N N 15 123.976 0.400 . 1 . . . . 45 LEU N . 17497 1 387 . 1 1 46 46 HIS H H 1 8.029 0.020 . 1 . . . . 46 HIS H . 17497 1 388 . 1 1 46 46 HIS HA H 1 4.087 0.020 . 1 . . . . 46 HIS HA . 17497 1 389 . 1 1 46 46 HIS HB2 H 1 2.343 0.020 . 2 . . . . 46 HIS HB2 . 17497 1 390 . 1 1 46 46 HIS HB3 H 1 2.093 0.020 . 2 . . . . 46 HIS HB3 . 17497 1 391 . 1 1 46 46 HIS C C 13 177.112 0.400 . 1 . . . . 46 HIS C . 17497 1 392 . 1 1 46 46 HIS CA C 13 60.424 0.400 . 1 . . . . 46 HIS CA . 17497 1 393 . 1 1 46 46 HIS CB C 13 30.433 0.400 . 1 . . . . 46 HIS CB . 17497 1 394 . 1 1 46 46 HIS CD2 C 13 29.486 0.400 . 1 . . . . 46 HIS CD2 . 17497 1 395 . 1 1 46 46 HIS N N 15 120.662 0.400 . 1 . . . . 46 HIS N . 17497 1 396 . 1 1 47 47 GLU H H 1 8.418 0.020 . 1 . . . . 47 GLU H . 17497 1 397 . 1 1 47 47 GLU HA H 1 3.730 0.020 . 1 . . . . 47 GLU HA . 17497 1 398 . 1 1 47 47 GLU HB2 H 1 2.011 0.020 . 2 . . . . 47 GLU HB2 . 17497 1 399 . 1 1 47 47 GLU HB3 H 1 1.900 0.020 . 2 . . . . 47 GLU HB3 . 17497 1 400 . 1 1 47 47 GLU HG2 H 1 2.407 0.020 . 2 . . . . 47 GLU HG2 . 17497 1 401 . 1 1 47 47 GLU HG3 H 1 2.139 0.020 . 2 . . . . 47 GLU HG3 . 17497 1 402 . 1 1 47 47 GLU C C 13 179.280 0.400 . 1 . . . . 47 GLU C . 17497 1 403 . 1 1 47 47 GLU CA C 13 59.021 0.400 . 1 . . . . 47 GLU CA . 17497 1 404 . 1 1 47 47 GLU CB C 13 29.265 0.400 . 1 . . . . 47 GLU CB . 17497 1 405 . 1 1 47 47 GLU CG C 13 36.664 0.400 . 1 . . . . 47 GLU CG . 17497 1 406 . 1 1 47 47 GLU N N 15 115.010 0.400 . 1 . . . . 47 GLU N . 17497 1 407 . 1 1 48 48 GLN H H 1 7.933 0.020 . 1 . . . . 48 GLN H . 17497 1 408 . 1 1 48 48 GLN HA H 1 4.032 0.020 . 1 . . . . 48 GLN HA . 17497 1 409 . 1 1 48 48 GLN HB2 H 1 2.273 0.020 . 2 . . . . 48 GLN HB2 . 17497 1 410 . 1 1 48 48 GLN HB3 H 1 2.066 0.020 . 2 . . . . 48 GLN HB3 . 17497 1 411 . 1 1 48 48 GLN HG2 H 1 2.529 0.020 . 2 . . . . 48 GLN HG2 . 17497 1 412 . 1 1 48 48 GLN HG3 H 1 2.438 0.020 . 2 . . . . 48 GLN HG3 . 17497 1 413 . 1 1 48 48 GLN C C 13 178.634 0.400 . 1 . . . . 48 GLN C . 17497 1 414 . 1 1 48 48 GLN CA C 13 59.195 0.400 . 1 . . . . 48 GLN CA . 17497 1 415 . 1 1 48 48 GLN CB C 13 28.167 0.400 . 1 . . . . 48 GLN CB . 17497 1 416 . 1 1 48 48 GLN CG C 13 34.021 0.400 . 1 . . . . 48 GLN CG . 17497 1 417 . 1 1 48 48 GLN N N 15 121.305 0.400 . 1 . . . . 48 GLN N . 17497 1 418 . 1 1 49 49 LEU H H 1 8.747 0.020 . 1 . . . . 49 LEU H . 17497 1 419 . 1 1 49 49 LEU HA H 1 4.203 0.020 . 1 . . . . 49 LEU HA . 17497 1 420 . 1 1 49 49 LEU HB2 H 1 2.141 0.020 . 2 . . . . 49 LEU HB2 . 17497 1 421 . 1 1 49 49 LEU HB3 H 1 2.063 0.020 . 2 . . . . 49 LEU HB3 . 17497 1 422 . 1 1 49 49 LEU HG H 1 1.323 0.020 . 1 . . . . 49 LEU HG . 17497 1 423 . 1 1 49 49 LEU HD11 H 1 0.964 0.020 . 2 . . . . 49 LEU HD1 . 17497 1 424 . 1 1 49 49 LEU HD12 H 1 0.964 0.020 . 2 . . . . 49 LEU HD1 . 17497 1 425 . 1 1 49 49 LEU HD13 H 1 0.964 0.020 . 2 . . . . 49 LEU HD1 . 17497 1 426 . 1 1 49 49 LEU HD21 H 1 0.882 0.020 . 2 . . . . 49 LEU HD2 . 17497 1 427 . 1 1 49 49 LEU HD22 H 1 0.882 0.020 . 2 . . . . 49 LEU HD2 . 17497 1 428 . 1 1 49 49 LEU HD23 H 1 0.882 0.020 . 2 . . . . 49 LEU HD2 . 17497 1 429 . 1 1 49 49 LEU C C 13 178.604 0.400 . 1 . . . . 49 LEU C . 17497 1 430 . 1 1 49 49 LEU CA C 13 58.101 0.400 . 1 . . . . 49 LEU CA . 17497 1 431 . 1 1 49 49 LEU CB C 13 42.000 0.400 . 1 . . . . 49 LEU CB . 17497 1 432 . 1 1 49 49 LEU CG C 13 25.904 0.400 . 1 . . . . 49 LEU CG . 17497 1 433 . 1 1 49 49 LEU N N 15 120.209 0.400 . 1 . . . . 49 LEU N . 17497 1 434 . 1 1 50 50 ARG H H 1 8.660 0.020 . 1 . . . . 50 ARG H . 17497 1 435 . 1 1 50 50 ARG C C 13 178.639 0.400 . 1 . . . . 50 ARG C . 17497 1 436 . 1 1 50 50 ARG N N 15 120.351 0.400 . 1 . . . . 50 ARG N . 17497 1 437 . 1 1 51 51 LYS H H 1 7.485 0.020 . 1 . . . . 51 LYS H . 17497 1 438 . 1 1 51 51 LYS HA H 1 3.921 0.020 . 1 . . . . 51 LYS HA . 17497 1 439 . 1 1 51 51 LYS HB2 H 1 2.061 0.020 . 2 . . . . 51 LYS HB2 . 17497 1 440 . 1 1 51 51 LYS HB3 H 1 1.921 0.020 . 2 . . . . 51 LYS HB3 . 17497 1 441 . 1 1 51 51 LYS HG2 H 1 1.375 0.020 . 2 . . . . 51 LYS HG2 . 17497 1 442 . 1 1 51 51 LYS HD2 H 1 1.668 0.020 . 2 . . . . 51 LYS HD2 . 17497 1 443 . 1 1 51 51 LYS HD3 H 1 1.530 0.020 . 2 . . . . 51 LYS HD3 . 17497 1 444 . 1 1 51 51 LYS C C 13 177.455 0.400 . 1 . . . . 51 LYS C . 17497 1 445 . 1 1 51 51 LYS CA C 13 59.203 0.400 . 1 . . . . 51 LYS CA . 17497 1 446 . 1 1 51 51 LYS CB C 13 32.616 0.400 . 1 . . . . 51 LYS CB . 17497 1 447 . 1 1 51 51 LYS CG C 13 25.147 0.400 . 1 . . . . 51 LYS CG . 17497 1 448 . 1 1 51 51 LYS CD C 13 29.530 0.400 . 1 . . . . 51 LYS CD . 17497 1 449 . 1 1 51 51 LYS N N 15 114.418 0.400 . 1 . . . . 51 LYS N . 17497 1 450 . 1 1 52 52 GLU H H 1 7.670 0.020 . 1 . . . . 52 GLU H . 17497 1 451 . 1 1 52 52 GLU HA H 1 3.875 0.020 . 1 . . . . 52 GLU HA . 17497 1 452 . 1 1 52 52 GLU HB2 H 1 1.703 0.020 . 2 . . . . 52 GLU HB2 . 17497 1 453 . 1 1 52 52 GLU HB3 H 1 1.357 0.020 . 2 . . . . 52 GLU HB3 . 17497 1 454 . 1 1 52 52 GLU HG2 H 1 2.030 0.020 . 2 . . . . 52 GLU HG2 . 17497 1 455 . 1 1 52 52 GLU HG3 H 1 1.781 0.020 . 2 . . . . 52 GLU HG3 . 17497 1 456 . 1 1 52 52 GLU C C 13 177.522 0.400 . 1 . . . . 52 GLU C . 17497 1 457 . 1 1 52 52 GLU CA C 13 58.562 0.400 . 1 . . . . 52 GLU CA . 17497 1 458 . 1 1 52 52 GLU CB C 13 31.290 0.400 . 1 . . . . 52 GLU CB . 17497 1 459 . 1 1 52 52 GLU CG C 13 35.656 0.400 . 1 . . . . 52 GLU CG . 17497 1 460 . 1 1 52 52 GLU N N 15 117.547 0.400 . 1 . . . . 52 GLU N . 17497 1 461 . 1 1 53 53 TYR H H 1 8.566 0.020 . 1 . . . . 53 TYR H . 17497 1 462 . 1 1 53 53 TYR HA H 1 4.639 0.020 . 1 . . . . 53 TYR HA . 17497 1 463 . 1 1 53 53 TYR HB2 H 1 3.142 0.020 . 2 . . . . 53 TYR HB2 . 17497 1 464 . 1 1 53 53 TYR HB3 H 1 2.564 0.020 . 2 . . . . 53 TYR HB3 . 17497 1 465 . 1 1 53 53 TYR C C 13 175.766 0.400 . 1 . . . . 53 TYR C . 17497 1 466 . 1 1 53 53 TYR CA C 13 59.032 0.400 . 1 . . . . 53 TYR CA . 17497 1 467 . 1 1 53 53 TYR CB C 13 40.024 0.400 . 1 . . . . 53 TYR CB . 17497 1 468 . 1 1 53 53 TYR N N 15 114.840 0.400 . 1 . . . . 53 TYR N . 17497 1 469 . 1 1 54 54 GLY H H 1 7.735 0.020 . 1 . . . . 54 GLY H . 17497 1 470 . 1 1 54 54 GLY HA2 H 1 4.453 0.020 . 2 . . . . 54 GLY HA2 . 17497 1 471 . 1 1 54 54 GLY HA3 H 1 3.845 0.020 . 2 . . . . 54 GLY HA3 . 17497 1 472 . 1 1 54 54 GLY C C 13 172.541 0.400 . 1 . . . . 54 GLY C . 17497 1 473 . 1 1 54 54 GLY CA C 13 44.651 0.400 . 1 . . . . 54 GLY CA . 17497 1 474 . 1 1 54 54 GLY N N 15 109.288 0.400 . 1 . . . . 54 GLY N . 17497 1 475 . 1 1 55 55 ALA H H 1 8.377 0.020 . 1 . . . . 55 ALA H . 17497 1 476 . 1 1 55 55 ALA HA H 1 4.015 0.020 . 1 . . . . 55 ALA HA . 17497 1 477 . 1 1 55 55 ALA HB1 H 1 1.422 0.020 . 1 . . . . 55 ALA HB . 17497 1 478 . 1 1 55 55 ALA HB2 H 1 1.422 0.020 . 1 . . . . 55 ALA HB . 17497 1 479 . 1 1 55 55 ALA HB3 H 1 1.422 0.020 . 1 . . . . 55 ALA HB . 17497 1 480 . 1 1 55 55 ALA C C 13 179.262 0.400 . 1 . . . . 55 ALA C . 17497 1 481 . 1 1 55 55 ALA CA C 13 54.182 0.400 . 1 . . . . 55 ALA CA . 17497 1 482 . 1 1 55 55 ALA CB C 13 19.275 0.400 . 1 . . . . 55 ALA CB . 17497 1 483 . 1 1 55 55 ALA N N 15 119.897 0.400 . 1 . . . . 55 ALA N . 17497 1 484 . 1 1 56 56 ASN H H 1 8.500 0.020 . 1 . . . . 56 ASN H . 17497 1 485 . 1 1 56 56 ASN HA H 1 4.577 0.020 . 1 . . . . 56 ASN HA . 17497 1 486 . 1 1 56 56 ASN HB2 H 1 2.864 0.020 . 2 . . . . 56 ASN HB2 . 17497 1 487 . 1 1 56 56 ASN C C 13 175.471 0.400 . 1 . . . . 56 ASN C . 17497 1 488 . 1 1 56 56 ASN CA C 13 55.290 0.400 . 1 . . . . 56 ASN CA . 17497 1 489 . 1 1 56 56 ASN CB C 13 38.015 0.400 . 1 . . . . 56 ASN CB . 17497 1 490 . 1 1 56 56 ASN N N 15 113.377 0.400 . 1 . . . . 56 ASN N . 17497 1 491 . 1 1 57 57 VAL H H 1 7.267 0.020 . 1 . . . . 57 VAL H . 17497 1 492 . 1 1 57 57 VAL HA H 1 4.323 0.020 . 1 . . . . 57 VAL HA . 17497 1 493 . 1 1 57 57 VAL HB H 1 2.295 0.020 . 1 . . . . 57 VAL HB . 17497 1 494 . 1 1 57 57 VAL HG11 H 1 0.889 0.020 . 2 . . . . 57 VAL HG1 . 17497 1 495 . 1 1 57 57 VAL HG12 H 1 0.889 0.020 . 2 . . . . 57 VAL HG1 . 17497 1 496 . 1 1 57 57 VAL HG13 H 1 0.889 0.020 . 2 . . . . 57 VAL HG1 . 17497 1 497 . 1 1 57 57 VAL HG21 H 1 0.889 0.020 . 2 . . . . 57 VAL HG2 . 17497 1 498 . 1 1 57 57 VAL HG22 H 1 0.889 0.020 . 2 . . . . 57 VAL HG2 . 17497 1 499 . 1 1 57 57 VAL HG23 H 1 0.889 0.020 . 2 . . . . 57 VAL HG2 . 17497 1 500 . 1 1 57 57 VAL C C 13 174.769 0.400 . 1 . . . . 57 VAL C . 17497 1 501 . 1 1 57 57 VAL CA C 13 61.374 0.400 . 1 . . . . 57 VAL CA . 17497 1 502 . 1 1 57 57 VAL CB C 13 32.000 0.400 . 1 . . . . 57 VAL CB . 17497 1 503 . 1 1 57 57 VAL CG1 C 13 19.825 0.400 . 1 . . . . 57 VAL CG1 . 17497 1 504 . 1 1 57 57 VAL CG2 C 13 21.232 0.400 . 1 . . . . 57 VAL CG2 . 17497 1 505 . 1 1 57 57 VAL N N 15 112.401 0.400 . 1 . . . . 57 VAL N . 17497 1 506 . 1 1 58 58 LEU H H 1 7.201 0.020 . 1 . . . . 58 LEU H . 17497 1 507 . 1 1 58 58 LEU N N 15 121.908 0.400 . 1 . . . . 58 LEU N . 17497 1 508 . 1 1 59 59 PRO HA H 1 4.032 0.020 . 1 . . . . 59 PRO HA . 17497 1 509 . 1 1 59 59 PRO HG2 H 1 1.839 0.020 . 2 . . . . 59 PRO HG2 . 17497 1 510 . 1 1 59 59 PRO HG3 H 1 1.514 0.020 . 2 . . . . 59 PRO HG3 . 17497 1 511 . 1 1 59 59 PRO HD2 H 1 3.210 0.020 . 2 . . . . 59 PRO HD2 . 17497 1 512 . 1 1 59 59 PRO C C 13 177.995 0.400 . 1 . . . . 59 PRO C . 17497 1 513 . 1 1 59 59 PRO CA C 13 59.150 0.400 . 1 . . . . 59 PRO CA . 17497 1 514 . 1 1 59 59 PRO CB C 13 29.637 0.400 . 1 . . . . 59 PRO CB . 17497 1 515 . 1 1 59 59 PRO CG C 13 27.470 0.400 . 1 . . . . 59 PRO CG . 17497 1 516 . 1 1 60 60 ALA H H 1 8.175 0.020 . 1 . . . . 60 ALA H . 17497 1 517 . 1 1 60 60 ALA HA H 1 4.203 0.020 . 1 . . . . 60 ALA HA . 17497 1 518 . 1 1 60 60 ALA HB1 H 1 1.311 0.020 . 1 . . . . 60 ALA HB . 17497 1 519 . 1 1 60 60 ALA HB2 H 1 1.311 0.020 . 1 . . . . 60 ALA HB . 17497 1 520 . 1 1 60 60 ALA HB3 H 1 1.311 0.020 . 1 . . . . 60 ALA HB . 17497 1 521 . 1 1 60 60 ALA C C 13 175.940 0.400 . 1 . . . . 60 ALA C . 17497 1 522 . 1 1 60 60 ALA CA C 13 52.839 0.400 . 1 . . . . 60 ALA CA . 17497 1 523 . 1 1 60 60 ALA CB C 13 18.680 0.400 . 1 . . . . 60 ALA CB . 17497 1 524 . 1 1 60 60 ALA N N 15 121.177 0.400 . 1 . . . . 60 ALA N . 17497 1 525 . 1 1 61 61 PHE H H 1 8.447 0.020 . 1 . . . . 61 PHE H . 17497 1 526 . 1 1 61 61 PHE N N 15 127.657 0.400 . 1 . . . . 61 PHE N . 17497 1 527 . 1 1 63 63 PRO HA H 1 4.531 0.020 . 1 . . . . 63 PRO HA . 17497 1 528 . 1 1 63 63 PRO HB2 H 1 1.994 0.020 . 2 . . . . 63 PRO HB2 . 17497 1 529 . 1 1 63 63 PRO HG2 H 1 1.812 0.020 . 2 . . . . 63 PRO HG2 . 17497 1 530 . 1 1 63 63 PRO HD2 H 1 2.323 0.020 . 2 . . . . 63 PRO HD2 . 17497 1 531 . 1 1 63 63 PRO C C 13 176.235 0.400 . 1 . . . . 63 PRO C . 17497 1 532 . 1 1 63 63 PRO CA C 13 62.635 0.400 . 1 . . . . 63 PRO CA . 17497 1 533 . 1 1 63 63 PRO CB C 13 33.123 0.400 . 1 . . . . 63 PRO CB . 17497 1 534 . 1 1 63 63 PRO CG C 13 27.306 0.400 . 1 . . . . 63 PRO CG . 17497 1 535 . 1 1 64 64 LYS H H 1 8.359 0.020 . 1 . . . . 64 LYS H . 17497 1 536 . 1 1 64 64 LYS HA H 1 3.875 0.020 . 1 . . . . 64 LYS HA . 17497 1 537 . 1 1 64 64 LYS HB2 H 1 1.828 0.020 . 2 . . . . 64 LYS HB2 . 17497 1 538 . 1 1 64 64 LYS HB3 H 1 1.733 0.020 . 2 . . . . 64 LYS HB3 . 17497 1 539 . 1 1 64 64 LYS HG2 H 1 1.616 0.020 . 2 . . . . 64 LYS HG2 . 17497 1 540 . 1 1 64 64 LYS HG3 H 1 1.530 0.020 . 2 . . . . 64 LYS HG3 . 17497 1 541 . 1 1 64 64 LYS HE2 H 1 3.799 0.020 . 2 . . . . 64 LYS HE2 . 17497 1 542 . 1 1 64 64 LYS C C 13 175.414 0.400 . 1 . . . . 64 LYS C . 17497 1 543 . 1 1 64 64 LYS CA C 13 57.152 0.400 . 1 . . . . 64 LYS CA . 17497 1 544 . 1 1 64 64 LYS CB C 13 33.567 0.400 . 1 . . . . 64 LYS CB . 17497 1 545 . 1 1 64 64 LYS CG C 13 25.415 0.400 . 1 . . . . 64 LYS CG . 17497 1 546 . 1 1 64 64 LYS N N 15 121.398 0.400 . 1 . . . . 64 LYS N . 17497 1 547 . 1 1 65 65 LYS H H 1 8.051 0.020 . 1 . . . . 65 LYS H . 17497 1 548 . 1 1 65 65 LYS HA H 1 4.500 0.020 . 1 . . . . 65 LYS HA . 17497 1 549 . 1 1 65 65 LYS HB2 H 1 1.735 0.020 . 2 . . . . 65 LYS HB2 . 17497 1 550 . 1 1 65 65 LYS HG2 H 1 1.268 0.020 . 2 . . . . 65 LYS HG2 . 17497 1 551 . 1 1 65 65 LYS HD2 H 1 1.494 0.020 . 2 . . . . 65 LYS HD2 . 17497 1 552 . 1 1 65 65 LYS C C 13 175.592 0.400 . 1 . . . . 65 LYS C . 17497 1 553 . 1 1 65 65 LYS CA C 13 54.759 0.400 . 1 . . . . 65 LYS CA . 17497 1 554 . 1 1 65 65 LYS CB C 13 35.062 0.400 . 1 . . . . 65 LYS CB . 17497 1 555 . 1 1 65 65 LYS CG C 13 25.106 0.400 . 1 . . . . 65 LYS CG . 17497 1 556 . 1 1 65 65 LYS N N 15 122.475 0.400 . 1 . . . . 65 LYS N . 17497 1 557 . 1 1 66 66 LEU H H 1 8.557 0.020 . 1 . . . . 66 LEU H . 17497 1 558 . 1 1 66 66 LEU HA H 1 4.158 0.020 . 1 . . . . 66 LEU HA . 17497 1 559 . 1 1 66 66 LEU HB2 H 1 1.443 0.020 . 2 . . . . 66 LEU HB2 . 17497 1 560 . 1 1 66 66 LEU HB3 H 1 1.343 0.020 . 2 . . . . 66 LEU HB3 . 17497 1 561 . 1 1 66 66 LEU HG H 1 1.218 0.020 . 1 . . . . 66 LEU HG . 17497 1 562 . 1 1 66 66 LEU HD11 H 1 0.844 0.020 . 2 . . . . 66 LEU HD1 . 17497 1 563 . 1 1 66 66 LEU HD12 H 1 0.844 0.020 . 2 . . . . 66 LEU HD1 . 17497 1 564 . 1 1 66 66 LEU HD13 H 1 0.844 0.020 . 2 . . . . 66 LEU HD1 . 17497 1 565 . 1 1 66 66 LEU HD21 H 1 0.742 0.020 . 2 . . . . 66 LEU HD2 . 17497 1 566 . 1 1 66 66 LEU HD22 H 1 0.742 0.020 . 2 . . . . 66 LEU HD2 . 17497 1 567 . 1 1 66 66 LEU HD23 H 1 0.742 0.020 . 2 . . . . 66 LEU HD2 . 17497 1 568 . 1 1 66 66 LEU C C 13 175.874 0.400 . 1 . . . . 66 LEU C . 17497 1 569 . 1 1 66 66 LEU CA C 13 55.734 0.400 . 1 . . . . 66 LEU CA . 17497 1 570 . 1 1 66 66 LEU CB C 13 42.017 0.400 . 1 . . . . 66 LEU CB . 17497 1 571 . 1 1 66 66 LEU CG C 13 23.093 0.400 . 1 . . . . 66 LEU CG . 17497 1 572 . 1 1 66 66 LEU CD1 C 13 26.987 0.400 . 1 . . . . 66 LEU CD1 . 17497 1 573 . 1 1 66 66 LEU CD2 C 13 24.659 0.400 . 1 . . . . 66 LEU CD2 . 17497 1 574 . 1 1 66 66 LEU N N 15 123.169 0.400 . 1 . . . . 66 LEU N . 17497 1 575 . 1 1 67 67 PHE H H 1 7.434 0.020 . 1 . . . . 67 PHE H . 17497 1 576 . 1 1 67 67 PHE HA H 1 3.376 0.020 . 1 . . . . 67 PHE HA . 17497 1 577 . 1 1 67 67 PHE HB2 H 1 2.953 0.020 . 2 . . . . 67 PHE HB2 . 17497 1 578 . 1 1 67 67 PHE C C 13 174.710 0.400 . 1 . . . . 67 PHE C . 17497 1 579 . 1 1 67 67 PHE CA C 13 55.742 0.400 . 1 . . . . 67 PHE CA . 17497 1 580 . 1 1 67 67 PHE CB C 13 40.909 0.400 . 1 . . . . 67 PHE CB . 17497 1 581 . 1 1 67 67 PHE N N 15 116.536 0.400 . 1 . . . . 67 PHE N . 17497 1 582 . 1 1 68 68 SER H H 1 8.396 0.020 . 1 . . . . 68 SER H . 17497 1 583 . 1 1 68 68 SER HB2 H 1 3.921 0.020 . 2 . . . . 68 SER HB2 . 17497 1 584 . 1 1 68 68 SER HB3 H 1 3.835 0.020 . 2 . . . . 68 SER HB3 . 17497 1 585 . 1 1 68 68 SER C C 13 174.476 0.400 . 1 . . . . 68 SER C . 17497 1 586 . 1 1 68 68 SER CA C 13 59.211 0.400 . 1 . . . . 68 SER CA . 17497 1 587 . 1 1 68 68 SER CB C 13 63.206 0.400 . 1 . . . . 68 SER CB . 17497 1 588 . 1 1 68 68 SER N N 15 115.556 0.400 . 1 . . . . 68 SER N . 17497 1 589 . 1 1 69 69 LEU H H 1 8.412 0.020 . 1 . . . . 69 LEU H . 17497 1 590 . 1 1 69 69 LEU HA H 1 4.560 0.020 . 1 . . . . 69 LEU HA . 17497 1 591 . 1 1 69 69 LEU HB2 H 1 1.827 0.020 . 2 . . . . 69 LEU HB2 . 17497 1 592 . 1 1 69 69 LEU HB3 H 1 1.700 0.020 . 2 . . . . 69 LEU HB3 . 17497 1 593 . 1 1 69 69 LEU HG H 1 1.476 0.020 . 1 . . . . 69 LEU HG . 17497 1 594 . 1 1 69 69 LEU HD11 H 1 0.860 0.020 . 2 . . . . 69 LEU HD1 . 17497 1 595 . 1 1 69 69 LEU HD12 H 1 0.860 0.020 . 2 . . . . 69 LEU HD1 . 17497 1 596 . 1 1 69 69 LEU HD13 H 1 0.860 0.020 . 2 . . . . 69 LEU HD1 . 17497 1 597 . 1 1 69 69 LEU HD21 H 1 0.631 0.020 . 2 . . . . 69 LEU HD2 . 17497 1 598 . 1 1 69 69 LEU HD22 H 1 0.631 0.020 . 2 . . . . 69 LEU HD2 . 17497 1 599 . 1 1 69 69 LEU HD23 H 1 0.631 0.020 . 2 . . . . 69 LEU HD2 . 17497 1 600 . 1 1 69 69 LEU C C 13 178.170 0.400 . 1 . . . . 69 LEU C . 17497 1 601 . 1 1 69 69 LEU CA C 13 56.033 0.400 . 1 . . . . 69 LEU CA . 17497 1 602 . 1 1 69 69 LEU CB C 13 42.947 0.400 . 1 . . . . 69 LEU CB . 17497 1 603 . 1 1 69 69 LEU CD2 C 13 24.506 0.400 . 1 . . . . 69 LEU CD2 . 17497 1 604 . 1 1 69 69 LEU N N 15 126.128 0.400 . 1 . . . . 69 LEU N . 17497 1 605 . 1 1 70 70 THR H H 1 9.056 0.020 . 1 . . . . 70 THR H . 17497 1 606 . 1 1 70 70 THR N N 15 115.423 0.400 . 1 . . . . 70 THR N . 17497 1 607 . 1 1 71 71 PRO HA H 1 4.202 0.020 . 1 . . . . 71 PRO HA . 17497 1 608 . 1 1 71 71 PRO HB2 H 1 1.965 0.020 . 2 . . . . 71 PRO HB2 . 17497 1 609 . 1 1 71 71 PRO HG2 H 1 1.365 0.020 . 2 . . . . 71 PRO HG2 . 17497 1 610 . 1 1 71 71 PRO HD2 H 1 2.401 0.020 . 2 . . . . 71 PRO HD2 . 17497 1 611 . 1 1 71 71 PRO C C 13 179.280 0.400 . 1 . . . . 71 PRO C . 17497 1 612 . 1 1 71 71 PRO CA C 13 66.478 0.400 . 1 . . . . 71 PRO CA . 17497 1 613 . 1 1 71 71 PRO CB C 13 31.550 0.400 . 1 . . . . 71 PRO CB . 17497 1 614 . 1 1 71 71 PRO CG C 13 28.245 0.400 . 1 . . . . 71 PRO CG . 17497 1 615 . 1 1 72 72 ALA H H 1 8.315 0.020 . 1 . . . . 72 ALA H . 17497 1 616 . 1 1 72 72 ALA HA H 1 4.211 0.020 . 1 . . . . 72 ALA HA . 17497 1 617 . 1 1 72 72 ALA HB1 H 1 1.422 0.020 . 1 . . . . 72 ALA HB . 17497 1 618 . 1 1 72 72 ALA HB2 H 1 1.422 0.020 . 1 . . . . 72 ALA HB . 17497 1 619 . 1 1 72 72 ALA HB3 H 1 1.422 0.020 . 1 . . . . 72 ALA HB . 17497 1 620 . 1 1 72 72 ALA C C 13 180.596 0.400 . 1 . . . . 72 ALA C . 17497 1 621 . 1 1 72 72 ALA CA C 13 55.126 0.400 . 1 . . . . 72 ALA CA . 17497 1 622 . 1 1 72 72 ALA CB C 13 18.256 0.400 . 1 . . . . 72 ALA CB . 17497 1 623 . 1 1 72 72 ALA N N 15 119.771 0.400 . 1 . . . . 72 ALA N . 17497 1 624 . 1 1 73 73 GLU H H 1 7.758 0.020 . 1 . . . . 73 GLU H . 17497 1 625 . 1 1 73 73 GLU HA H 1 4.040 0.020 . 1 . . . . 73 GLU HA . 17497 1 626 . 1 1 73 73 GLU HB2 H 1 2.170 0.020 . 2 . . . . 73 GLU HB2 . 17497 1 627 . 1 1 73 73 GLU HB3 H 1 1.908 0.020 . 2 . . . . 73 GLU HB3 . 17497 1 628 . 1 1 73 73 GLU HG2 H 1 2.508 0.020 . 2 . . . . 73 GLU HG2 . 17497 1 629 . 1 1 73 73 GLU HG3 H 1 2.404 0.020 . 2 . . . . 73 GLU HG3 . 17497 1 630 . 1 1 73 73 GLU C C 13 179.921 0.400 . 1 . . . . 73 GLU C . 17497 1 631 . 1 1 73 73 GLU CA C 13 58.935 0.400 . 1 . . . . 73 GLU CA . 17497 1 632 . 1 1 73 73 GLU CB C 13 30.370 0.400 . 1 . . . . 73 GLU CB . 17497 1 633 . 1 1 73 73 GLU CG C 13 37.946 0.400 . 1 . . . . 73 GLU CG . 17497 1 634 . 1 1 73 73 GLU N N 15 119.572 0.400 . 1 . . . . 73 GLU N . 17497 1 635 . 1 1 74 74 VAL H H 1 8.699 0.020 . 1 . . . . 74 VAL H . 17497 1 636 . 1 1 74 74 VAL HA H 1 4.561 0.020 . 1 . . . . 74 VAL HA . 17497 1 637 . 1 1 74 74 VAL HB H 1 2.312 0.020 . 1 . . . . 74 VAL HB . 17497 1 638 . 1 1 74 74 VAL HG11 H 1 1.956 0.020 . 2 . . . . 74 VAL HG1 . 17497 1 639 . 1 1 74 74 VAL HG12 H 1 1.956 0.020 . 2 . . . . 74 VAL HG1 . 17497 1 640 . 1 1 74 74 VAL HG13 H 1 1.956 0.020 . 2 . . . . 74 VAL HG1 . 17497 1 641 . 1 1 74 74 VAL HG21 H 1 1.734 0.020 . 2 . . . . 74 VAL HG2 . 17497 1 642 . 1 1 74 74 VAL HG22 H 1 1.734 0.020 . 2 . . . . 74 VAL HG2 . 17497 1 643 . 1 1 74 74 VAL HG23 H 1 1.734 0.020 . 2 . . . . 74 VAL HG2 . 17497 1 644 . 1 1 74 74 VAL C C 13 174.884 0.400 . 1 . . . . 74 VAL C . 17497 1 645 . 1 1 74 74 VAL CA C 13 61.806 0.400 . 1 . . . . 74 VAL CA . 17497 1 646 . 1 1 74 74 VAL CB C 13 31.542 0.400 . 1 . . . . 74 VAL CB . 17497 1 647 . 1 1 74 74 VAL CG1 C 13 27.307 0.400 . 1 . . . . 74 VAL CG1 . 17497 1 648 . 1 1 74 74 VAL CG2 C 13 62.781 0.400 . 1 . . . . 74 VAL CG2 . 17497 1 649 . 1 1 74 74 VAL N N 15 124.089 0.400 . 1 . . . . 74 VAL N . 17497 1 650 . 1 1 75 75 GLU H H 1 8.153 0.020 . 1 . . . . 75 GLU H . 17497 1 651 . 1 1 75 75 GLU HA H 1 4.433 0.020 . 1 . . . . 75 GLU HA . 17497 1 652 . 1 1 75 75 GLU HB2 H 1 2.156 0.020 . 2 . . . . 75 GLU HB2 . 17497 1 653 . 1 1 75 75 GLU HB3 H 1 2.014 0.020 . 2 . . . . 75 GLU HB3 . 17497 1 654 . 1 1 75 75 GLU HG2 H 1 2.483 0.020 . 2 . . . . 75 GLU HG2 . 17497 1 655 . 1 1 75 75 GLU HG3 H 1 2.295 0.020 . 2 . . . . 75 GLU HG3 . 17497 1 656 . 1 1 75 75 GLU C C 13 177.700 0.400 . 1 . . . . 75 GLU C . 17497 1 657 . 1 1 75 75 GLU CA C 13 58.237 0.400 . 1 . . . . 75 GLU CA . 17497 1 658 . 1 1 75 75 GLU CB C 13 28.251 0.400 . 1 . . . . 75 GLU CB . 17497 1 659 . 1 1 75 75 GLU CG C 13 34.978 0.400 . 1 . . . . 75 GLU CG . 17497 1 660 . 1 1 75 75 GLU N N 15 121.555 0.400 . 1 . . . . 75 GLU N . 17497 1 661 . 1 1 76 76 GLN H H 1 7.677 0.020 . 1 . . . . 76 GLN H . 17497 1 662 . 1 1 76 76 GLN HA H 1 4.186 0.020 . 1 . . . . 76 GLN HA . 17497 1 663 . 1 1 76 76 GLN HB2 H 1 2.296 0.020 . 2 . . . . 76 GLN HB2 . 17497 1 664 . 1 1 76 76 GLN HB3 H 1 2.092 0.020 . 2 . . . . 76 GLN HB3 . 17497 1 665 . 1 1 76 76 GLN HG2 H 1 2.514 0.020 . 2 . . . . 76 GLN HG2 . 17497 1 666 . 1 1 76 76 GLN C C 13 177.584 0.400 . 1 . . . . 76 GLN C . 17497 1 667 . 1 1 76 76 GLN CA C 13 58.845 0.400 . 1 . . . . 76 GLN CA . 17497 1 668 . 1 1 76 76 GLN CB C 13 28.553 0.400 . 1 . . . . 76 GLN CB . 17497 1 669 . 1 1 76 76 GLN CG C 13 34.034 0.400 . 1 . . . . 76 GLN CG . 17497 1 670 . 1 1 76 76 GLN N N 15 118.086 0.400 . 1 . . . . 76 GLN N . 17497 1 671 . 1 1 77 77 ARG H H 1 8.249 0.020 . 1 . . . . 77 ARG H . 17497 1 672 . 1 1 77 77 ARG HA H 1 3.937 0.020 . 1 . . . . 77 ARG HA . 17497 1 673 . 1 1 77 77 ARG HB2 H 1 2.108 0.020 . 2 . . . . 77 ARG HB2 . 17497 1 674 . 1 1 77 77 ARG HB3 H 1 1.890 0.020 . 2 . . . . 77 ARG HB3 . 17497 1 675 . 1 1 77 77 ARG C C 13 176.938 0.400 . 1 . . . . 77 ARG C . 17497 1 676 . 1 1 77 77 ARG CA C 13 60.114 0.400 . 1 . . . . 77 ARG CA . 17497 1 677 . 1 1 77 77 ARG CB C 13 30.916 0.400 . 1 . . . . 77 ARG CB . 17497 1 678 . 1 1 77 77 ARG CG C 13 26.672 0.400 . 1 . . . . 77 ARG CG . 17497 1 679 . 1 1 77 77 ARG N N 15 120.634 0.400 . 1 . . . . 77 ARG N . 17497 1 680 . 1 1 78 78 ARG H H 1 9.345 0.020 . 1 . . . . 78 ARG H . 17497 1 681 . 1 1 78 78 ARG HA H 1 3.750 0.020 . 1 . . . . 78 ARG HA . 17497 1 682 . 1 1 78 78 ARG HD2 H 1 2.411 0.020 . 2 . . . . 78 ARG HD2 . 17497 1 683 . 1 1 78 78 ARG C C 13 177.231 0.400 . 1 . . . . 78 ARG C . 17497 1 684 . 1 1 78 78 ARG CA C 13 60.753 0.400 . 1 . . . . 78 ARG CA . 17497 1 685 . 1 1 78 78 ARG CB C 13 29.174 0.400 . 1 . . . . 78 ARG CB . 17497 1 686 . 1 1 78 78 ARG N N 15 121.427 0.400 . 1 . . . . 78 ARG N . 17497 1 687 . 1 1 79 79 GLU H H 1 8.021 0.020 . 1 . . . . 79 GLU H . 17497 1 688 . 1 1 79 79 GLU HA H 1 3.874 0.020 . 1 . . . . 79 GLU HA . 17497 1 689 . 1 1 79 79 GLU HG2 H 1 2.515 0.020 . 2 . . . . 79 GLU HG2 . 17497 1 690 . 1 1 79 79 GLU HG3 H 1 2.234 0.020 . 2 . . . . 79 GLU HG3 . 17497 1 691 . 1 1 79 79 GLU C C 13 178.930 0.400 . 1 . . . . 79 GLU C . 17497 1 692 . 1 1 79 79 GLU CA C 13 59.983 0.400 . 1 . . . . 79 GLU CA . 17497 1 693 . 1 1 79 79 GLU CB C 13 29.681 0.400 . 1 . . . . 79 GLU CB . 17497 1 694 . 1 1 79 79 GLU CG C 13 36.271 0.400 . 1 . . . . 79 GLU CG . 17497 1 695 . 1 1 79 79 GLU N N 15 118.085 0.400 . 1 . . . . 79 GLU N . 17497 1 696 . 1 1 80 80 GLN H H 1 8.249 0.020 . 1 . . . . 80 GLN H . 17497 1 697 . 1 1 80 80 GLN HA H 1 3.999 0.020 . 1 . . . . 80 GLN HA . 17497 1 698 . 1 1 80 80 GLN HB2 H 1 2.140 0.020 . 2 . . . . 80 GLN HB2 . 17497 1 699 . 1 1 80 80 GLN HB3 H 1 1.843 0.020 . 2 . . . . 80 GLN HB3 . 17497 1 700 . 1 1 80 80 GLN HG2 H 1 2.688 0.020 . 2 . . . . 80 GLN HG2 . 17497 1 701 . 1 1 80 80 GLN HG3 H 1 2.391 0.020 . 2 . . . . 80 GLN HG3 . 17497 1 702 . 1 1 80 80 GLN C C 13 179.868 0.400 . 1 . . . . 80 GLN C . 17497 1 703 . 1 1 80 80 GLN CA C 13 59.021 0.400 . 1 . . . . 80 GLN CA . 17497 1 704 . 1 1 80 80 GLN CB C 13 28.674 0.400 . 1 . . . . 80 GLN CB . 17497 1 705 . 1 1 80 80 GLN CG C 13 34.322 0.400 . 1 . . . . 80 GLN CG . 17497 1 706 . 1 1 80 80 GLN N N 15 117.941 0.400 . 1 . . . . 80 GLN N . 17497 1 707 . 1 1 81 81 LEU H H 1 9.288 0.020 . 1 . . . . 81 LEU H . 17497 1 708 . 1 1 81 81 LEU HA H 1 3.875 0.020 . 1 . . . . 81 LEU HA . 17497 1 709 . 1 1 81 81 LEU HB2 H 1 1.830 0.020 . 2 . . . . 81 LEU HB2 . 17497 1 710 . 1 1 81 81 LEU HD11 H 1 0.841 0.020 . 2 . . . . 81 LEU HD1 . 17497 1 711 . 1 1 81 81 LEU HD12 H 1 0.841 0.020 . 2 . . . . 81 LEU HD1 . 17497 1 712 . 1 1 81 81 LEU HD13 H 1 0.841 0.020 . 2 . . . . 81 LEU HD1 . 17497 1 713 . 1 1 81 81 LEU HD21 H 1 0.841 0.020 . 2 . . . . 81 LEU HD2 . 17497 1 714 . 1 1 81 81 LEU HD22 H 1 0.841 0.020 . 2 . . . . 81 LEU HD2 . 17497 1 715 . 1 1 81 81 LEU HD23 H 1 0.841 0.020 . 2 . . . . 81 LEU HD2 . 17497 1 716 . 1 1 81 81 LEU C C 13 177.757 0.400 . 1 . . . . 81 LEU C . 17497 1 717 . 1 1 81 81 LEU CA C 13 57.423 0.400 . 1 . . . . 81 LEU CA . 17497 1 718 . 1 1 81 81 LEU CB C 13 41.554 0.400 . 1 . . . . 81 LEU CB . 17497 1 719 . 1 1 81 81 LEU CD1 C 13 24.190 0.400 . 1 . . . . 81 LEU CD1 . 17497 1 720 . 1 1 81 81 LEU N N 15 122.446 0.400 . 1 . . . . 81 LEU N . 17497 1 721 . 1 1 82 82 GLU H H 1 8.605 0.020 . 1 . . . . 82 GLU H . 17497 1 722 . 1 1 82 82 GLU HA H 1 3.695 0.020 . 1 . . . . 82 GLU HA . 17497 1 723 . 1 1 82 82 GLU HB2 H 1 2.146 0.020 . 2 . . . . 82 GLU HB2 . 17497 1 724 . 1 1 82 82 GLU HG2 H 1 2.508 0.020 . 2 . . . . 82 GLU HG2 . 17497 1 725 . 1 1 82 82 GLU C C 13 176.937 0.400 . 1 . . . . 82 GLU C . 17497 1 726 . 1 1 82 82 GLU CA C 13 61.056 0.400 . 1 . . . . 82 GLU CA . 17497 1 727 . 1 1 82 82 GLU CB C 13 30.659 0.400 . 1 . . . . 82 GLU CB . 17497 1 728 . 1 1 82 82 GLU CG C 13 38.377 0.400 . 1 . . . . 82 GLU CG . 17497 1 729 . 1 1 82 82 GLU N N 15 122.519 0.400 . 1 . . . . 82 GLU N . 17497 1 730 . 1 1 83 83 LYS H H 1 7.911 0.020 . 1 . . . . 83 LYS H . 17497 1 731 . 1 1 83 83 LYS HA H 1 4.066 0.020 . 1 . . . . 83 LYS HA . 17497 1 732 . 1 1 83 83 LYS HB2 H 1 2.151 0.020 . 2 . . . . 83 LYS HB2 . 17497 1 733 . 1 1 83 83 LYS HB3 H 1 1.950 0.020 . 2 . . . . 83 LYS HB3 . 17497 1 734 . 1 1 83 83 LYS HG2 H 1 1.188 0.020 . 2 . . . . 83 LYS HG2 . 17497 1 735 . 1 1 83 83 LYS HD2 H 1 1.751 0.020 . 2 . . . . 83 LYS HD2 . 17497 1 736 . 1 1 83 83 LYS HD3 H 1 1.594 0.020 . 2 . . . . 83 LYS HD3 . 17497 1 737 . 1 1 83 83 LYS C C 13 173.891 0.400 . 1 . . . . 83 LYS C . 17497 1 738 . 1 1 83 83 LYS CA C 13 59.371 0.400 . 1 . . . . 83 LYS CA . 17497 1 739 . 1 1 83 83 LYS CB C 13 32.377 0.400 . 1 . . . . 83 LYS CB . 17497 1 740 . 1 1 83 83 LYS CG C 13 21.119 0.400 . 1 . . . . 83 LYS CG . 17497 1 741 . 1 1 83 83 LYS CD C 13 25.741 0.400 . 1 . . . . 83 LYS CD . 17497 1 742 . 1 1 83 83 LYS CE C 13 69.929 0.400 . 1 . . . . 83 LYS CE . 17497 1 743 . 1 1 83 83 LYS N N 15 117.887 0.400 . 1 . . . . 83 LYS N . 17497 1 744 . 1 1 84 84 TYR H H 1 8.110 0.020 . 1 . . . . 84 TYR H . 17497 1 745 . 1 1 84 84 TYR HA H 1 4.062 0.020 . 1 . . . . 84 TYR HA . 17497 1 746 . 1 1 84 84 TYR HB2 H 1 3.178 0.020 . 2 . . . . 84 TYR HB2 . 17497 1 747 . 1 1 84 84 TYR HB3 H 1 3.077 0.020 . 2 . . . . 84 TYR HB3 . 17497 1 748 . 1 1 84 84 TYR C C 13 175.649 0.400 . 1 . . . . 84 TYR C . 17497 1 749 . 1 1 84 84 TYR CA C 13 62.622 0.400 . 1 . . . . 84 TYR CA . 17497 1 750 . 1 1 84 84 TYR CB C 13 38.414 0.400 . 1 . . . . 84 TYR CB . 17497 1 751 . 1 1 84 84 TYR N N 15 121.566 0.400 . 1 . . . . 84 TYR N . 17497 1 752 . 1 1 85 85 MET H H 1 8.403 0.020 . 1 . . . . 85 MET H . 17497 1 753 . 1 1 85 85 MET HA H 1 4.047 0.020 . 1 . . . . 85 MET HA . 17497 1 754 . 1 1 85 85 MET HB2 H 1 2.529 0.020 . 2 . . . . 85 MET HB2 . 17497 1 755 . 1 1 85 85 MET HB3 H 1 2.170 0.020 . 2 . . . . 85 MET HB3 . 17497 1 756 . 1 1 85 85 MET HG2 H 1 2.966 0.020 . 2 . . . . 85 MET HG2 . 17497 1 757 . 1 1 85 85 MET HE1 H 1 1.701 0.020 . 1 . . . . 85 MET HE . 17497 1 758 . 1 1 85 85 MET HE2 H 1 1.701 0.020 . 1 . . . . 85 MET HE . 17497 1 759 . 1 1 85 85 MET HE3 H 1 1.701 0.020 . 1 . . . . 85 MET HE . 17497 1 760 . 1 1 85 85 MET C C 13 177.992 0.400 . 1 . . . . 85 MET C . 17497 1 761 . 1 1 85 85 MET CA C 13 57.157 0.400 . 1 . . . . 85 MET CA . 17497 1 762 . 1 1 85 85 MET CB C 13 33.573 0.400 . 1 . . . . 85 MET CB . 17497 1 763 . 1 1 85 85 MET CG C 13 30.921 0.400 . 1 . . . . 85 MET CG . 17497 1 764 . 1 1 85 85 MET N N 15 116.088 0.400 . 1 . . . . 85 MET N . 17497 1 765 . 1 1 86 86 GLN H H 1 8.095 0.020 . 1 . . . . 86 GLN H . 17497 1 766 . 1 1 86 86 GLN HA H 1 4.054 0.020 . 1 . . . . 86 GLN HA . 17497 1 767 . 1 1 86 86 GLN HB2 H 1 2.275 0.020 . 2 . . . . 86 GLN HB2 . 17497 1 768 . 1 1 86 86 GLN HB3 H 1 1.985 0.020 . 2 . . . . 86 GLN HB3 . 17497 1 769 . 1 1 86 86 GLN HG2 H 1 2.692 0.020 . 2 . . . . 86 GLN HG2 . 17497 1 770 . 1 1 86 86 GLN HG3 H 1 2.692 0.020 . 2 . . . . 86 GLN HG3 . 17497 1 771 . 1 1 86 86 GLN C C 13 177.933 0.400 . 1 . . . . 86 GLN C . 17497 1 772 . 1 1 86 86 GLN CA C 13 58.749 0.400 . 1 . . . . 86 GLN CA . 17497 1 773 . 1 1 86 86 GLN CB C 13 27.876 0.400 . 1 . . . . 86 GLN CB . 17497 1 774 . 1 1 86 86 GLN CG C 13 34.034 0.400 . 1 . . . . 86 GLN CG . 17497 1 775 . 1 1 86 86 GLN N N 15 115.933 0.400 . 1 . . . . 86 GLN N . 17497 1 776 . 1 1 87 87 ALA H H 1 8.021 0.020 . 1 . . . . 87 ALA H . 17497 1 777 . 1 1 87 87 ALA HA H 1 4.030 0.020 . 1 . . . . 87 ALA HA . 17497 1 778 . 1 1 87 87 ALA HB1 H 1 1.422 0.020 . 1 . . . . 87 ALA HB . 17497 1 779 . 1 1 87 87 ALA HB2 H 1 1.422 0.020 . 1 . . . . 87 ALA HB . 17497 1 780 . 1 1 87 87 ALA HB3 H 1 1.422 0.020 . 1 . . . . 87 ALA HB . 17497 1 781 . 1 1 87 87 ALA C C 13 180.217 0.400 . 1 . . . . 87 ALA C . 17497 1 782 . 1 1 87 87 ALA CA C 13 54.905 0.400 . 1 . . . . 87 ALA CA . 17497 1 783 . 1 1 87 87 ALA CB C 13 18.344 0.400 . 1 . . . . 87 ALA CB . 17497 1 784 . 1 1 87 87 ALA N N 15 122.021 0.400 . 1 . . . . 87 ALA N . 17497 1 785 . 1 1 88 88 VAL H H 1 8.168 0.020 . 1 . . . . 88 VAL H . 17497 1 786 . 1 1 88 88 VAL HA H 1 3.015 0.020 . 1 . . . . 88 VAL HA . 17497 1 787 . 1 1 88 88 VAL HB H 1 1.374 0.020 . 1 . . . . 88 VAL HB . 17497 1 788 . 1 1 88 88 VAL HG11 H 1 0.173 0.020 . 2 . . . . 88 VAL HG1 . 17497 1 789 . 1 1 88 88 VAL HG12 H 1 0.173 0.020 . 2 . . . . 88 VAL HG1 . 17497 1 790 . 1 1 88 88 VAL HG13 H 1 0.173 0.020 . 2 . . . . 88 VAL HG1 . 17497 1 791 . 1 1 88 88 VAL HG21 H 1 -0.261 0.020 . 2 . . . . 88 VAL HG2 . 17497 1 792 . 1 1 88 88 VAL HG22 H 1 -0.261 0.020 . 2 . . . . 88 VAL HG2 . 17497 1 793 . 1 1 88 88 VAL HG23 H 1 -0.261 0.020 . 2 . . . . 88 VAL HG2 . 17497 1 794 . 1 1 88 88 VAL C C 13 176.407 0.400 . 1 . . . . 88 VAL C . 17497 1 795 . 1 1 88 88 VAL CA C 13 67.077 0.400 . 1 . . . . 88 VAL CA . 17497 1 796 . 1 1 88 88 VAL CB C 13 30.771 0.400 . 1 . . . . 88 VAL CB . 17497 1 797 . 1 1 88 88 VAL CG1 C 13 21.044 0.400 . 1 . . . . 88 VAL CG1 . 17497 1 798 . 1 1 88 88 VAL CG2 C 13 22.745 0.400 . 1 . . . . 88 VAL CG2 . 17497 1 799 . 1 1 88 88 VAL N N 15 119.501 0.400 . 1 . . . . 88 VAL N . 17497 1 800 . 1 1 89 89 ARG H H 1 7.604 0.020 . 1 . . . . 89 ARG H . 17497 1 801 . 1 1 89 89 ARG HA H 1 3.656 0.020 . 1 . . . . 89 ARG HA . 17497 1 802 . 1 1 89 89 ARG HB2 H 1 2.032 0.020 . 2 . . . . 89 ARG HB2 . 17497 1 803 . 1 1 89 89 ARG HB3 H 1 1.733 0.020 . 2 . . . . 89 ARG HB3 . 17497 1 804 . 1 1 89 89 ARG C C 13 176.936 0.400 . 1 . . . . 89 ARG C . 17497 1 805 . 1 1 89 89 ARG CA C 13 57.631 0.400 . 1 . . . . 89 ARG CA . 17497 1 806 . 1 1 89 89 ARG CB C 13 29.492 0.400 . 1 . . . . 89 ARG CB . 17497 1 807 . 1 1 89 89 ARG CG C 13 26.331 0.400 . 1 . . . . 89 ARG CG . 17497 1 808 . 1 1 89 89 ARG N N 15 115.147 0.400 . 1 . . . . 89 ARG N . 17497 1 809 . 1 1 90 90 GLN H H 1 7.604 0.020 . 1 . . . . 90 GLN H . 17497 1 810 . 1 1 90 90 GLN HA H 1 4.062 0.020 . 1 . . . . 90 GLN HA . 17497 1 811 . 1 1 90 90 GLN HB2 H 1 2.111 0.020 . 2 . . . . 90 GLN HB2 . 17497 1 812 . 1 1 90 90 GLN HG2 H 1 2.519 0.020 . 2 . . . . 90 GLN HG2 . 17497 1 813 . 1 1 90 90 GLN C C 13 175.237 0.400 . 1 . . . . 90 GLN C . 17497 1 814 . 1 1 90 90 GLN CA C 13 56.299 0.400 . 1 . . . . 90 GLN CA . 17497 1 815 . 1 1 90 90 GLN CB C 13 29.044 0.400 . 1 . . . . 90 GLN CB . 17497 1 816 . 1 1 90 90 GLN CG C 13 34.332 0.400 . 1 . . . . 90 GLN CG . 17497 1 817 . 1 1 90 90 GLN N N 15 114.148 0.400 . 1 . . . . 90 GLN N . 17497 1 818 . 1 1 91 91 ASP H H 1 7.314 0.020 . 1 . . . . 91 ASP H . 17497 1 819 . 1 1 91 91 ASP N N 15 123.942 0.400 . 1 . . . . 91 ASP N . 17497 1 820 . 1 1 92 92 PRO HA H 1 4.257 0.020 . 1 . . . . 92 PRO HA . 17497 1 821 . 1 1 92 92 PRO HB2 H 1 2.349 0.020 . 2 . . . . 92 PRO HB2 . 17497 1 822 . 1 1 92 92 PRO HG2 H 1 2.059 0.020 . 2 . . . . 92 PRO HG2 . 17497 1 823 . 1 1 92 92 PRO HG3 H 1 1.936 0.020 . 2 . . . . 92 PRO HG3 . 17497 1 824 . 1 1 92 92 PRO C C 13 177.046 0.400 . 1 . . . . 92 PRO C . 17497 1 825 . 1 1 92 92 PRO CA C 13 64.959 0.400 . 1 . . . . 92 PRO CA . 17497 1 826 . 1 1 92 92 PRO CB C 13 32.203 0.400 . 1 . . . . 92 PRO CB . 17497 1 827 . 1 1 92 92 PRO CG C 13 27.333 0.400 . 1 . . . . 92 PRO CG . 17497 1 828 . 1 1 93 93 LEU H H 1 8.036 0.020 . 1 . . . . 93 LEU H . 17497 1 829 . 1 1 93 93 LEU HA H 1 4.281 0.020 . 1 . . . . 93 LEU HA . 17497 1 830 . 1 1 93 93 LEU HB2 H 1 1.674 0.020 . 2 . . . . 93 LEU HB2 . 17497 1 831 . 1 1 93 93 LEU HB3 H 1 1.471 0.020 . 2 . . . . 93 LEU HB3 . 17497 1 832 . 1 1 93 93 LEU HG H 1 1.055 0.020 . 1 . . . . 93 LEU HG . 17497 1 833 . 1 1 93 93 LEU HD11 H 1 0.923 0.020 . 2 . . . . 93 LEU HD1 . 17497 1 834 . 1 1 93 93 LEU HD12 H 1 0.923 0.020 . 2 . . . . 93 LEU HD1 . 17497 1 835 . 1 1 93 93 LEU HD13 H 1 0.923 0.020 . 2 . . . . 93 LEU HD1 . 17497 1 836 . 1 1 93 93 LEU HD21 H 1 0.812 0.020 . 2 . . . . 93 LEU HD2 . 17497 1 837 . 1 1 93 93 LEU HD22 H 1 0.812 0.020 . 2 . . . . 93 LEU HD2 . 17497 1 838 . 1 1 93 93 LEU HD23 H 1 0.812 0.020 . 2 . . . . 93 LEU HD2 . 17497 1 839 . 1 1 93 93 LEU C C 13 177.933 0.400 . 1 . . . . 93 LEU C . 17497 1 840 . 1 1 93 93 LEU CA C 13 56.441 0.400 . 1 . . . . 93 LEU CA . 17497 1 841 . 1 1 93 93 LEU CB C 13 43.090 0.400 . 1 . . . . 93 LEU CB . 17497 1 842 . 1 1 93 93 LEU CG C 13 23.553 0.400 . 1 . . . . 93 LEU CG . 17497 1 843 . 1 1 93 93 LEU CD1 C 13 26.932 0.400 . 1 . . . . 93 LEU CD1 . 17497 1 844 . 1 1 93 93 LEU CD2 C 13 25.094 0.400 . 1 . . . . 93 LEU CD2 . 17497 1 845 . 1 1 93 93 LEU N N 15 119.073 0.400 . 1 . . . . 93 LEU N . 17497 1 846 . 1 1 94 94 LEU H H 1 8.519 0.020 . 1 . . . . 94 LEU H . 17497 1 847 . 1 1 94 94 LEU HA H 1 3.496 0.020 . 1 . . . . 94 LEU HA . 17497 1 848 . 1 1 94 94 LEU HB2 H 1 1.835 0.020 . 2 . . . . 94 LEU HB2 . 17497 1 849 . 1 1 94 94 LEU HG H 1 1.535 0.020 . 1 . . . . 94 LEU HG . 17497 1 850 . 1 1 94 94 LEU HD11 H 1 1.036 0.020 . 2 . . . . 94 LEU HD1 . 17497 1 851 . 1 1 94 94 LEU HD12 H 1 1.036 0.020 . 2 . . . . 94 LEU HD1 . 17497 1 852 . 1 1 94 94 LEU HD13 H 1 1.036 0.020 . 2 . . . . 94 LEU HD1 . 17497 1 853 . 1 1 94 94 LEU HD21 H 1 0.766 0.020 . 2 . . . . 94 LEU HD2 . 17497 1 854 . 1 1 94 94 LEU HD22 H 1 0.766 0.020 . 2 . . . . 94 LEU HD2 . 17497 1 855 . 1 1 94 94 LEU HD23 H 1 0.766 0.020 . 2 . . . . 94 LEU HD2 . 17497 1 856 . 1 1 94 94 LEU C C 13 180.334 0.400 . 1 . . . . 94 LEU C . 17497 1 857 . 1 1 94 94 LEU CA C 13 57.376 0.400 . 1 . . . . 94 LEU CA . 17497 1 858 . 1 1 94 94 LEU CB C 13 42.564 0.400 . 1 . . . . 94 LEU CB . 17497 1 859 . 1 1 94 94 LEU CG C 13 22.164 0.400 . 1 . . . . 94 LEU CG . 17497 1 860 . 1 1 94 94 LEU CD1 C 13 26.634 0.400 . 1 . . . . 94 LEU CD1 . 17497 1 861 . 1 1 94 94 LEU N N 15 116.580 0.400 . 1 . . . . 94 LEU N . 17497 1 862 . 1 1 95 95 GLY H H 1 8.578 0.020 . 1 . . . . 95 GLY H . 17497 1 863 . 1 1 95 95 GLY HA2 H 1 4.014 0.020 . 2 . . . . 95 GLY HA2 . 17497 1 864 . 1 1 95 95 GLY HA3 H 1 3.375 0.020 . 2 . . . . 95 GLY HA3 . 17497 1 865 . 1 1 95 95 GLY C C 13 174.006 0.400 . 1 . . . . 95 GLY C . 17497 1 866 . 1 1 95 95 GLY CA C 13 47.806 0.400 . 1 . . . . 95 GLY CA . 17497 1 867 . 1 1 95 95 GLY N N 15 107.698 0.400 . 1 . . . . 95 GLY N . 17497 1 868 . 1 1 96 96 SER H H 1 6.812 0.020 . 1 . . . . 96 SER H . 17497 1 869 . 1 1 96 96 SER HA H 1 4.046 0.020 . 1 . . . . 96 SER HA . 17497 1 870 . 1 1 96 96 SER HB2 H 1 3.968 0.020 . 2 . . . . 96 SER HB2 . 17497 1 871 . 1 1 96 96 SER C C 13 174.093 0.400 . 1 . . . . 96 SER C . 17497 1 872 . 1 1 96 96 SER CA C 13 56.999 0.400 . 1 . . . . 96 SER CA . 17497 1 873 . 1 1 96 96 SER CB C 13 64.224 0.400 . 1 . . . . 96 SER CB . 17497 1 874 . 1 1 96 96 SER N N 15 110.831 0.400 . 1 . . . . 96 SER N . 17497 1 875 . 1 1 97 97 SER H H 1 7.494 0.020 . 1 . . . . 97 SER H . 17497 1 876 . 1 1 97 97 SER C C 13 175.237 0.400 . 1 . . . . 97 SER C . 17497 1 877 . 1 1 97 97 SER CA C 13 58.720 0.400 . 1 . . . . 97 SER CA . 17497 1 878 . 1 1 97 97 SER CB C 13 65.499 0.400 . 1 . . . . 97 SER CB . 17497 1 879 . 1 1 97 97 SER N N 15 118.788 0.400 . 1 . . . . 97 SER N . 17497 1 880 . 1 1 98 98 GLU H H 1 9.371 0.020 . 1 . . . . 98 GLU H . 17497 1 881 . 1 1 98 98 GLU HA H 1 4.406 0.020 . 1 . . . . 98 GLU HA . 17497 1 882 . 1 1 98 98 GLU HB2 H 1 2.234 0.020 . 2 . . . . 98 GLU HB2 . 17497 1 883 . 1 1 98 98 GLU HB3 H 1 2.155 0.020 . 2 . . . . 98 GLU HB3 . 17497 1 884 . 1 1 98 98 GLU HG2 H 1 2.437 0.020 . 2 . . . . 98 GLU HG2 . 17497 1 885 . 1 1 98 98 GLU C C 13 179.573 0.400 . 1 . . . . 98 GLU C . 17497 1 886 . 1 1 98 98 GLU CA C 13 59.251 0.400 . 1 . . . . 98 GLU CA . 17497 1 887 . 1 1 98 98 GLU CB C 13 28.787 0.400 . 1 . . . . 98 GLU CB . 17497 1 888 . 1 1 98 98 GLU CG C 13 35.920 0.400 . 1 . . . . 98 GLU CG . 17497 1 889 . 1 1 98 98 GLU N N 15 126.609 0.400 . 1 . . . . 98 GLU N . 17497 1 890 . 1 1 99 99 THR H H 1 8.864 0.020 . 1 . . . . 99 THR H . 17497 1 891 . 1 1 99 99 THR HA H 1 4.118 0.020 . 1 . . . . 99 THR HA . 17497 1 892 . 1 1 99 99 THR HB H 1 3.905 0.020 . 1 . . . . 99 THR HB . 17497 1 893 . 1 1 99 99 THR HG21 H 1 1.140 0.020 . 1 . . . . 99 THR HG2 . 17497 1 894 . 1 1 99 99 THR HG22 H 1 1.140 0.020 . 1 . . . . 99 THR HG2 . 17497 1 895 . 1 1 99 99 THR HG23 H 1 1.140 0.020 . 1 . . . . 99 THR HG2 . 17497 1 896 . 1 1 99 99 THR C C 13 175.705 0.400 . 1 . . . . 99 THR C . 17497 1 897 . 1 1 99 99 THR CA C 13 67.200 0.400 . 1 . . . . 99 THR CA . 17497 1 898 . 1 1 99 99 THR CB C 13 68.628 0.400 . 1 . . . . 99 THR CB . 17497 1 899 . 1 1 99 99 THR CG2 C 13 22.907 0.400 . 1 . . . . 99 THR CG2 . 17497 1 900 . 1 1 99 99 THR N N 15 117.908 0.400 . 1 . . . . 99 THR N . 17497 1 901 . 1 1 100 100 PHE H H 1 8.037 0.020 . 1 . . . . 100 PHE H . 17497 1 902 . 1 1 100 100 PHE HA H 1 4.379 0.020 . 1 . . . . 100 PHE HA . 17497 1 903 . 1 1 100 100 PHE HB2 H 1 3.118 0.020 . 2 . . . . 100 PHE HB2 . 17497 1 904 . 1 1 100 100 PHE HB3 H 1 2.920 0.020 . 2 . . . . 100 PHE HB3 . 17497 1 905 . 1 1 100 100 PHE C C 13 175.705 0.400 . 1 . . . . 100 PHE C . 17497 1 906 . 1 1 100 100 PHE CA C 13 61.247 0.400 . 1 . . . . 100 PHE CA . 17497 1 907 . 1 1 100 100 PHE CB C 13 40.438 0.400 . 1 . . . . 100 PHE CB . 17497 1 908 . 1 1 100 100 PHE N N 15 121.281 0.400 . 1 . . . . 100 PHE N . 17497 1 909 . 1 1 101 101 ASN H H 1 8.308 0.020 . 1 . . . . 101 ASN H . 17497 1 910 . 1 1 101 101 ASN HA H 1 4.305 0.020 . 1 . . . . 101 ASN HA . 17497 1 911 . 1 1 101 101 ASN HB2 H 1 2.905 0.020 . 2 . . . . 101 ASN HB2 . 17497 1 912 . 1 1 101 101 ASN HB3 H 1 2.687 0.020 . 2 . . . . 101 ASN HB3 . 17497 1 913 . 1 1 101 101 ASN C C 13 177.993 0.400 . 1 . . . . 101 ASN C . 17497 1 914 . 1 1 101 101 ASN CA C 13 57.671 0.400 . 1 . . . . 101 ASN CA . 17497 1 915 . 1 1 101 101 ASN CB C 13 39.054 0.400 . 1 . . . . 101 ASN CB . 17497 1 916 . 1 1 101 101 ASN N N 15 115.564 0.400 . 1 . . . . 101 ASN N . 17497 1 917 . 1 1 102 102 SER H H 1 9.371 0.020 . 1 . . . . 102 SER H . 17497 1 918 . 1 1 102 102 SER HA H 1 4.087 0.020 . 1 . . . . 102 SER HA . 17497 1 919 . 1 1 102 102 SER C C 13 176.057 0.400 . 1 . . . . 102 SER C . 17497 1 920 . 1 1 102 102 SER CA C 13 62.295 0.400 . 1 . . . . 102 SER CA . 17497 1 921 . 1 1 102 102 SER CB C 13 63.084 0.400 . 1 . . . . 102 SER CB . 17497 1 922 . 1 1 102 102 SER N N 15 117.198 0.400 . 1 . . . . 102 SER N . 17497 1 923 . 1 1 103 103 PHE H H 1 7.595 0.020 . 1 . . . . 103 PHE H . 17497 1 924 . 1 1 103 103 PHE HA H 1 4.193 0.020 . 1 . . . . 103 PHE HA . 17497 1 925 . 1 1 103 103 PHE HB2 H 1 3.389 0.020 . 2 . . . . 103 PHE HB2 . 17497 1 926 . 1 1 103 103 PHE C C 13 176.585 0.400 . 1 . . . . 103 PHE C . 17497 1 927 . 1 1 103 103 PHE CA C 13 61.692 0.400 . 1 . . . . 103 PHE CA . 17497 1 928 . 1 1 103 103 PHE CB C 13 39.072 0.400 . 1 . . . . 103 PHE CB . 17497 1 929 . 1 1 103 103 PHE N N 15 123.455 0.400 . 1 . . . . 103 PHE N . 17497 1 930 . 1 1 104 104 LEU H H 1 7.633 0.020 . 1 . . . . 104 LEU H . 17497 1 931 . 1 1 104 104 LEU HA H 1 3.749 0.020 . 1 . . . . 104 LEU HA . 17497 1 932 . 1 1 104 104 LEU HB2 H 1 1.865 0.020 . 2 . . . . 104 LEU HB2 . 17497 1 933 . 1 1 104 104 LEU HB3 H 1 1.450 0.020 . 2 . . . . 104 LEU HB3 . 17497 1 934 . 1 1 104 104 LEU HG H 1 0.748 0.020 . 1 . . . . 104 LEU HG . 17497 1 935 . 1 1 104 104 LEU HD11 H 1 0.595 0.020 . 2 . . . . 104 LEU HD1 . 17497 1 936 . 1 1 104 104 LEU HD12 H 1 0.595 0.020 . 2 . . . . 104 LEU HD1 . 17497 1 937 . 1 1 104 104 LEU HD13 H 1 0.595 0.020 . 2 . . . . 104 LEU HD1 . 17497 1 938 . 1 1 104 104 LEU HD21 H 1 0.530 0.020 . 2 . . . . 104 LEU HD2 . 17497 1 939 . 1 1 104 104 LEU HD22 H 1 0.530 0.020 . 2 . . . . 104 LEU HD2 . 17497 1 940 . 1 1 104 104 LEU HD23 H 1 0.530 0.020 . 2 . . . . 104 LEU HD2 . 17497 1 941 . 1 1 104 104 LEU C C 13 178.049 0.400 . 1 . . . . 104 LEU C . 17497 1 942 . 1 1 104 104 LEU CA C 13 57.625 0.400 . 1 . . . . 104 LEU CA . 17497 1 943 . 1 1 104 104 LEU CB C 13 42.066 0.400 . 1 . . . . 104 LEU CB . 17497 1 944 . 1 1 104 104 LEU CG C 13 26.293 0.400 . 1 . . . . 104 LEU CG . 17497 1 945 . 1 1 104 104 LEU N N 15 118.784 0.400 . 1 . . . . 104 LEU N . 17497 1 946 . 1 1 105 105 ARG H H 1 7.860 0.020 . 1 . . . . 105 ARG H . 17497 1 947 . 1 1 105 105 ARG HA H 1 4.171 0.020 . 1 . . . . 105 ARG HA . 17497 1 948 . 1 1 105 105 ARG HB2 H 1 1.985 0.020 . 2 . . . . 105 ARG HB2 . 17497 1 949 . 1 1 105 105 ARG HB3 H 1 1.897 0.020 . 2 . . . . 105 ARG HB3 . 17497 1 950 . 1 1 105 105 ARG HG2 H 1 1.817 0.020 . 2 . . . . 105 ARG HG2 . 17497 1 951 . 1 1 105 105 ARG HG3 H 1 1.607 0.020 . 2 . . . . 105 ARG HG3 . 17497 1 952 . 1 1 105 105 ARG HD2 H 1 4.023 0.020 . 2 . . . . 105 ARG HD2 . 17497 1 953 . 1 1 105 105 ARG C C 13 178.804 0.400 . 1 . . . . 105 ARG C . 17497 1 954 . 1 1 105 105 ARG CA C 13 59.329 0.400 . 1 . . . . 105 ARG CA . 17497 1 955 . 1 1 105 105 ARG CB C 13 30.429 0.400 . 1 . . . . 105 ARG CB . 17497 1 956 . 1 1 105 105 ARG CG C 13 27.596 0.400 . 1 . . . . 105 ARG CG . 17497 1 957 . 1 1 105 105 ARG CD C 13 43.414 0.400 . 1 . . . . 105 ARG CD . 17497 1 958 . 1 1 105 105 ARG N N 15 118.821 0.400 . 1 . . . . 105 ARG N . 17497 1 959 . 1 1 106 106 ARG H H 1 8.147 0.020 . 1 . . . . 106 ARG H . 17497 1 960 . 1 1 106 106 ARG HA H 1 4.198 0.020 . 1 . . . . 106 ARG HA . 17497 1 961 . 1 1 106 106 ARG HB2 H 1 2.015 0.020 . 2 . . . . 106 ARG HB2 . 17497 1 962 . 1 1 106 106 ARG HG2 H 1 2.286 0.020 . 2 . . . . 106 ARG HG2 . 17497 1 963 . 1 1 106 106 ARG HG3 H 1 2.198 0.020 . 2 . . . . 106 ARG HG3 . 17497 1 964 . 1 1 106 106 ARG HD2 H 1 2.465 0.020 . 2 . . . . 106 ARG HD2 . 17497 1 965 . 1 1 106 106 ARG C C 13 177.289 0.400 . 1 . . . . 106 ARG C . 17497 1 966 . 1 1 106 106 ARG CA C 13 57.827 0.400 . 1 . . . . 106 ARG CA . 17497 1 967 . 1 1 106 106 ARG CB C 13 29.901 0.400 . 1 . . . . 106 ARG CB . 17497 1 968 . 1 1 106 106 ARG CG C 13 36.700 0.400 . 1 . . . . 106 ARG CG . 17497 1 969 . 1 1 106 106 ARG N N 15 119.982 0.400 . 1 . . . . 106 ARG N . 17497 1 970 . 1 1 107 107 ALA H H 1 7.766 0.020 . 1 . . . . 107 ALA H . 17497 1 971 . 1 1 107 107 ALA C C 13 174.042 0.400 . 1 . . . . 107 ALA C . 17497 1 972 . 1 1 107 107 ALA N N 15 115.253 0.400 . 1 . . . . 107 ALA N . 17497 1 973 . 1 1 108 108 GLN H H 1 7.392 0.020 . 1 . . . . 108 GLN H . 17497 1 974 . 1 1 108 108 GLN HA H 1 3.976 0.020 . 1 . . . . 108 GLN HA . 17497 1 975 . 1 1 108 108 GLN HB2 H 1 1.974 0.020 . 2 . . . . 108 GLN HB2 . 17497 1 976 . 1 1 108 108 GLN HB3 H 1 1.585 0.020 . 2 . . . . 108 GLN HB3 . 17497 1 977 . 1 1 108 108 GLN HG2 H 1 2.226 0.020 . 2 . . . . 108 GLN HG2 . 17497 1 978 . 1 1 108 108 GLN HG3 H 1 2.162 0.020 . 2 . . . . 108 GLN HG3 . 17497 1 979 . 1 1 108 108 GLN C C 13 177.522 0.400 . 1 . . . . 108 GLN C . 17497 1 980 . 1 1 108 108 GLN CA C 13 59.377 0.400 . 1 . . . . 108 GLN CA . 17497 1 981 . 1 1 108 108 GLN CB C 13 28.568 0.400 . 1 . . . . 108 GLN CB . 17497 1 982 . 1 1 108 108 GLN CG C 13 33.569 0.400 . 1 . . . . 108 GLN CG . 17497 1 983 . 1 1 108 108 GLN N N 15 113.822 0.400 . 1 . . . . 108 GLN N . 17497 1 984 . 1 1 109 109 GLN H H 1 7.876 0.020 . 1 . . . . 109 GLN H . 17497 1 985 . 1 1 109 109 GLN HA H 1 4.046 0.020 . 1 . . . . 109 GLN HA . 17497 1 986 . 1 1 109 109 GLN HB2 H 1 2.236 0.020 . 2 . . . . 109 GLN HB2 . 17497 1 987 . 1 1 109 109 GLN HB3 H 1 2.156 0.020 . 2 . . . . 109 GLN HB3 . 17497 1 988 . 1 1 109 109 GLN HG2 H 1 2.546 0.020 . 2 . . . . 109 GLN HG2 . 17497 1 989 . 1 1 109 109 GLN HG3 H 1 2.421 0.020 . 2 . . . . 109 GLN HG3 . 17497 1 990 . 1 1 109 109 GLN C C 13 177.581 0.400 . 1 . . . . 109 GLN C . 17497 1 991 . 1 1 109 109 GLN CA C 13 58.557 0.400 . 1 . . . . 109 GLN CA . 17497 1 992 . 1 1 109 109 GLN CB C 13 28.239 0.400 . 1 . . . . 109 GLN CB . 17497 1 993 . 1 1 109 109 GLN CG C 13 34.061 0.400 . 1 . . . . 109 GLN CG . 17497 1 994 . 1 1 109 109 GLN N N 15 119.473 0.400 . 1 . . . . 109 GLN N . 17497 1 995 . 1 1 110 110 GLU H H 1 8.007 0.020 . 1 . . . . 110 GLU H . 17497 1 996 . 1 1 110 110 GLU HA H 1 4.344 0.020 . 1 . . . . 110 GLU HA . 17497 1 997 . 1 1 110 110 GLU HB2 H 1 2.093 0.020 . 2 . . . . 110 GLU HB2 . 17497 1 998 . 1 1 110 110 GLU HB3 H 1 1.960 0.020 . 2 . . . . 110 GLU HB3 . 17497 1 999 . 1 1 110 110 GLU HG2 H 1 2.275 0.020 . 2 . . . . 110 GLU HG2 . 17497 1 1000 . 1 1 110 110 GLU C C 13 176.055 0.400 . 1 . . . . 110 GLU C . 17497 1 1001 . 1 1 110 110 GLU CA C 13 56.748 0.400 . 1 . . . . 110 GLU CA . 17497 1 1002 . 1 1 110 110 GLU CB C 13 30.609 0.400 . 1 . . . . 110 GLU CB . 17497 1 1003 . 1 1 110 110 GLU CG C 13 36.358 0.400 . 1 . . . . 110 GLU CG . 17497 1 1004 . 1 1 110 110 GLU N N 15 117.541 0.400 . 1 . . . . 110 GLU N . 17497 1 1005 . 1 1 111 111 THR H H 1 8.351 0.020 . 1 . . . . 111 THR H . 17497 1 1006 . 1 1 111 111 THR HA H 1 4.219 0.020 . 1 . . . . 111 THR HA . 17497 1 1007 . 1 1 111 111 THR HB H 1 3.869 0.020 . 1 . . . . 111 THR HB . 17497 1 1008 . 1 1 111 111 THR C C 13 174.244 0.400 . 1 . . . . 111 THR C . 17497 1 1009 . 1 1 111 111 THR CB C 13 63.569 0.400 . 1 . . . . 111 THR CB . 17497 1 1010 . 1 1 111 111 THR N N 15 117.037 0.400 . 1 . . . . 111 THR N . 17497 1 1011 . 1 1 112 112 GLN H H 1 8.424 0.020 . 1 . . . . 112 GLN H . 17497 1 1012 . 1 1 112 112 GLN HA H 1 2.754 0.020 . 1 . . . . 112 GLN HA . 17497 1 1013 . 1 1 112 112 GLN C C 13 176.561 0.400 . 1 . . . . 112 GLN C . 17497 1 1014 . 1 1 112 112 GLN CA C 13 54.607 0.400 . 1 . . . . 112 GLN CA . 17497 1 1015 . 1 1 112 112 GLN N N 15 123.228 0.400 . 1 . . . . 112 GLN N . 17497 1 stop_ save_