data_15808 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15808 _Entry.Title ; Assignment of the 1H, 13C and 15N resonance of the Calponin Homology-2 domain of alpha-actinin-4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-17 _Entry.Accession_date 2008-06-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Huang-Hui Chen . . . 15808 2 Iain Murchland . . . 15808 3 Grant Booker . W. . 15808 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Adelaide' . 15808 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15808 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 443 15808 '15N chemical shifts' 114 15808 '1H chemical shifts' 749 15808 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 3 . . 2009-08-18 2008-06-17 update BMRB 'added PubMed ID' 15808 2 . . 2008-12-03 2008-06-17 update BMRB 'complete entry citation' 15808 1 . . 2008-10-03 2008-06-17 original author 'original release' 15808 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15808 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636903 _Citation.Full_citation . _Citation.Title 'Assignment of the 1H, 13C and 15N resonances of the calponin homology-2 domain of alpha-actinin-4' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 195 _Citation.Page_last 197 _Citation.Year 2008 _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 Huang-Hui Chen . . . 15808 1 2 Iain Murchland . . . 15808 1 3 Grant Booker . W. . 15808 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15808 _Assembly.ID 1 _Assembly.Name 'alpha-Actinin4 CH2 domain' _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 'CH2 domain' 1 $alpha-Actinin4 A . yes native no no . . . 15808 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_alpha-Actinin4 _Entity.Sf_category entity _Entity.Sf_framecode alpha-Actinin4 _Entity.Entry_ID 15808 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name alpha-Actinin4 _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 ; GSETSAKEGLLLWCQRKTAP YKNVNVQNFHISWKDGLAFN ALIHRHRPELIEYDKLRKDD PVTNLNNAFEVAEKYLDIPK MLDAEDIVNTARPDEKAIMT YVSSFYHAFSGAQ ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'CH2 domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2R0O . "Crystal Structure Of The Actin-Binding Domain Of Human Alpha-Actinin-4 Mutant(K255e)" . . . . . 97.35 237 99.09 100.00 5.06e-74 . . . . 15808 1 2 no DBJ BAA05644 . "alpha-actinin [Gallus gallus]" . . . . . 98.23 904 100.00 100.00 5.96e-70 . . . . 15808 1 3 no DBJ BAA24447 . "alpha actinin 4 [Homo sapiens]" . . . . . 98.23 884 100.00 100.00 2.74e-70 . . . . 15808 1 4 no DBJ BAE26366 . "unnamed protein product [Mus musculus]" . . . . . 98.23 912 100.00 100.00 3.16e-70 . . . . 15808 1 5 no DBJ BAE29264 . "unnamed protein product [Mus musculus]" . . . . . 98.23 912 99.10 99.10 3.93e-69 . . . . 15808 1 6 no DBJ BAG61782 . "unnamed protein product [Homo sapiens]" . . . . . 98.23 416 100.00 100.00 3.40e-73 . . . . 15808 1 7 no EMBL CAC10069 . "alpha-actinin 4 [Mus musculus]" . . . . . 98.23 912 100.00 100.00 3.16e-70 . . . . 15808 1 8 no EMBL CAH90431 . "hypothetical protein [Pongo abelii]" . . . . . 98.23 911 100.00 100.00 3.08e-70 . . . . 15808 1 9 no GB AAC17470 . "alpha actinin [Homo sapiens]" . . . . . 98.23 912 100.00 100.00 2.86e-70 . . . . 15808 1 10 no GB AAC53102 . "alpha actinin [Rattus norvegicus]" . . . . . 98.23 892 99.10 99.10 1.30e-69 . . . . 15808 1 11 no GB AAF20064 . "alpha-actinin 4 [Rattus norvegicus]" . . . . . 98.23 911 99.10 99.10 1.10e-69 . . . . 15808 1 12 no GB AAH05033 . "Actinin, alpha 4 [Homo sapiens]" . . . . . 98.23 911 100.00 100.00 3.44e-70 . . . . 15808 1 13 no GB AAH13616 . "Actinin alpha 4 [Mus musculus]" . . . . . 98.23 912 100.00 100.00 3.16e-70 . . . . 15808 1 14 no REF NP_001006810 . "alpha-actinin-4 [Xenopus (Silurana) tropicalis]" . . . . . 98.23 904 99.10 100.00 7.96e-70 . . . . 15808 1 15 no REF NP_001087030 . "actinin, alpha 4 [Xenopus laevis]" . . . . . 98.23 904 99.10 100.00 8.62e-70 . . . . 15808 1 16 no REF NP_001089864 . "uncharacterized protein LOC734930 [Xenopus laevis]" . . . . . 98.23 377 99.10 100.00 1.65e-73 . . . . 15808 1 17 no REF NP_001091521 . "alpha-actinin-4 [Bos taurus]" . . . . . 98.23 911 100.00 100.00 3.24e-70 . . . . 15808 1 18 no REF NP_001127286 . "alpha-actinin-4 [Pongo abelii]" . . . . . 98.23 911 100.00 100.00 3.08e-70 . . . . 15808 1 19 no SP A5D7D1 . "RecName: Full=Alpha-actinin-4; AltName: Full=Non-muscle alpha-actinin 4" . . . . . 98.23 911 100.00 100.00 3.24e-70 . . . . 15808 1 20 no SP O43707 . "RecName: Full=Alpha-actinin-4; AltName: Full=Non-muscle alpha-actinin 4" . . . . . 98.23 911 100.00 100.00 3.44e-70 . . . . 15808 1 21 no SP P57780 . "RecName: Full=Alpha-actinin-4; AltName: Full=Non-muscle alpha-actinin 4" . . . . . 98.23 912 100.00 100.00 3.16e-70 . . . . 15808 1 22 no SP Q5RCS6 . "RecName: Full=Alpha-actinin-4; AltName: Full=Non-muscle alpha-actinin 4" . . . . . 98.23 911 100.00 100.00 3.08e-70 . . . . 15808 1 23 no SP Q90734 . "RecName: Full=Alpha-actinin-4; AltName: Full=Non-muscle alpha-actinin 4" . . . . . 98.23 904 100.00 100.00 5.96e-70 . . . . 15808 1 24 no TPG DAA19939 . "TPA: alpha-actinin-4 [Bos taurus]" . . . . . 98.23 911 100.00 100.00 3.24e-70 . . . . 15808 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15808 1 2 . SER . 15808 1 3 . GLU . 15808 1 4 . THR . 15808 1 5 . SER . 15808 1 6 . ALA . 15808 1 7 . LYS . 15808 1 8 . GLU . 15808 1 9 . GLY . 15808 1 10 . LEU . 15808 1 11 . LEU . 15808 1 12 . LEU . 15808 1 13 . TRP . 15808 1 14 . CYS . 15808 1 15 . GLN . 15808 1 16 . ARG . 15808 1 17 . LYS . 15808 1 18 . THR . 15808 1 19 . ALA . 15808 1 20 . PRO . 15808 1 21 . TYR . 15808 1 22 . LYS . 15808 1 23 . ASN . 15808 1 24 . VAL . 15808 1 25 . ASN . 15808 1 26 . VAL . 15808 1 27 . GLN . 15808 1 28 . ASN . 15808 1 29 . PHE . 15808 1 30 . HIS . 15808 1 31 . ILE . 15808 1 32 . SER . 15808 1 33 . TRP . 15808 1 34 . LYS . 15808 1 35 . ASP . 15808 1 36 . GLY . 15808 1 37 . LEU . 15808 1 38 . ALA . 15808 1 39 . PHE . 15808 1 40 . ASN . 15808 1 41 . ALA . 15808 1 42 . LEU . 15808 1 43 . ILE . 15808 1 44 . HIS . 15808 1 45 . ARG . 15808 1 46 . HIS . 15808 1 47 . ARG . 15808 1 48 . PRO . 15808 1 49 . GLU . 15808 1 50 . LEU . 15808 1 51 . ILE . 15808 1 52 . GLU . 15808 1 53 . TYR . 15808 1 54 . ASP . 15808 1 55 . LYS . 15808 1 56 . LEU . 15808 1 57 . ARG . 15808 1 58 . LYS . 15808 1 59 . ASP . 15808 1 60 . ASP . 15808 1 61 . PRO . 15808 1 62 . VAL . 15808 1 63 . THR . 15808 1 64 . ASN . 15808 1 65 . LEU . 15808 1 66 . ASN . 15808 1 67 . ASN . 15808 1 68 . ALA . 15808 1 69 . PHE . 15808 1 70 . GLU . 15808 1 71 . VAL . 15808 1 72 . ALA . 15808 1 73 . GLU . 15808 1 74 . LYS . 15808 1 75 . TYR . 15808 1 76 . LEU . 15808 1 77 . ASP . 15808 1 78 . ILE . 15808 1 79 . PRO . 15808 1 80 . LYS . 15808 1 81 . MET . 15808 1 82 . LEU . 15808 1 83 . ASP . 15808 1 84 . ALA . 15808 1 85 . GLU . 15808 1 86 . ASP . 15808 1 87 . ILE . 15808 1 88 . VAL . 15808 1 89 . ASN . 15808 1 90 . THR . 15808 1 91 . ALA . 15808 1 92 . ARG . 15808 1 93 . PRO . 15808 1 94 . ASP . 15808 1 95 . GLU . 15808 1 96 . LYS . 15808 1 97 . ALA . 15808 1 98 . ILE . 15808 1 99 . MET . 15808 1 100 . THR . 15808 1 101 . TYR . 15808 1 102 . VAL . 15808 1 103 . SER . 15808 1 104 . SER . 15808 1 105 . PHE . 15808 1 106 . TYR . 15808 1 107 . HIS . 15808 1 108 . ALA . 15808 1 109 . PHE . 15808 1 110 . SER . 15808 1 111 . GLY . 15808 1 112 . ALA . 15808 1 113 . GLN . 15808 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15808 1 . SER 2 2 15808 1 . GLU 3 3 15808 1 . THR 4 4 15808 1 . SER 5 5 15808 1 . ALA 6 6 15808 1 . LYS 7 7 15808 1 . GLU 8 8 15808 1 . GLY 9 9 15808 1 . LEU 10 10 15808 1 . LEU 11 11 15808 1 . LEU 12 12 15808 1 . TRP 13 13 15808 1 . CYS 14 14 15808 1 . GLN 15 15 15808 1 . ARG 16 16 15808 1 . LYS 17 17 15808 1 . THR 18 18 15808 1 . ALA 19 19 15808 1 . PRO 20 20 15808 1 . TYR 21 21 15808 1 . LYS 22 22 15808 1 . ASN 23 23 15808 1 . VAL 24 24 15808 1 . ASN 25 25 15808 1 . VAL 26 26 15808 1 . GLN 27 27 15808 1 . ASN 28 28 15808 1 . PHE 29 29 15808 1 . HIS 30 30 15808 1 . ILE 31 31 15808 1 . SER 32 32 15808 1 . TRP 33 33 15808 1 . LYS 34 34 15808 1 . ASP 35 35 15808 1 . GLY 36 36 15808 1 . LEU 37 37 15808 1 . ALA 38 38 15808 1 . PHE 39 39 15808 1 . ASN 40 40 15808 1 . ALA 41 41 15808 1 . LEU 42 42 15808 1 . ILE 43 43 15808 1 . HIS 44 44 15808 1 . ARG 45 45 15808 1 . HIS 46 46 15808 1 . ARG 47 47 15808 1 . PRO 48 48 15808 1 . GLU 49 49 15808 1 . LEU 50 50 15808 1 . ILE 51 51 15808 1 . GLU 52 52 15808 1 . TYR 53 53 15808 1 . ASP 54 54 15808 1 . LYS 55 55 15808 1 . LEU 56 56 15808 1 . ARG 57 57 15808 1 . LYS 58 58 15808 1 . ASP 59 59 15808 1 . ASP 60 60 15808 1 . PRO 61 61 15808 1 . VAL 62 62 15808 1 . THR 63 63 15808 1 . ASN 64 64 15808 1 . LEU 65 65 15808 1 . ASN 66 66 15808 1 . ASN 67 67 15808 1 . ALA 68 68 15808 1 . PHE 69 69 15808 1 . GLU 70 70 15808 1 . VAL 71 71 15808 1 . ALA 72 72 15808 1 . GLU 73 73 15808 1 . LYS 74 74 15808 1 . TYR 75 75 15808 1 . LEU 76 76 15808 1 . ASP 77 77 15808 1 . ILE 78 78 15808 1 . PRO 79 79 15808 1 . LYS 80 80 15808 1 . MET 81 81 15808 1 . LEU 82 82 15808 1 . ASP 83 83 15808 1 . ALA 84 84 15808 1 . GLU 85 85 15808 1 . ASP 86 86 15808 1 . ILE 87 87 15808 1 . VAL 88 88 15808 1 . ASN 89 89 15808 1 . THR 90 90 15808 1 . ALA 91 91 15808 1 . ARG 92 92 15808 1 . PRO 93 93 15808 1 . ASP 94 94 15808 1 . GLU 95 95 15808 1 . LYS 96 96 15808 1 . ALA 97 97 15808 1 . ILE 98 98 15808 1 . MET 99 99 15808 1 . THR 100 100 15808 1 . TYR 101 101 15808 1 . VAL 102 102 15808 1 . SER 103 103 15808 1 . SER 104 104 15808 1 . PHE 105 105 15808 1 . TYR 106 106 15808 1 . HIS 107 107 15808 1 . ALA 108 108 15808 1 . PHE 109 109 15808 1 . SER 110 110 15808 1 . GLY 111 111 15808 1 . ALA 112 112 15808 1 . GLN 113 113 15808 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 15808 _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 $alpha-Actinin4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15808 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 15808 _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 $alpha-Actinin4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pGEX-4T2 . . . . . . 15808 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_sample _Sample.Entry_ID 15808 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 alpha-Actinin4 '[U-100% 15N]' . . 1 $alpha-Actinin4 . . 3 . . mM . . . . 15808 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15808 1 stop_ save_ save_15N_13C_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_sample _Sample.Entry_ID 15808 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 alpha-Actinin4 '[U-100% 13C; U-100% 15N]' . . 1 $alpha-Actinin4 . . 3 . . mM . . . . 15808 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15808 2 stop_ save_ save_D2O_sample _Sample.Sf_category sample _Sample.Sf_framecode D2O_sample _Sample.Entry_ID 15808 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 alpha-Actinin4 '[U-100% 15N]' . . 1 $alpha-Actinin4 . . 3 . . mM . . . . 15808 3 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15808 3 stop_ save_ save_unlabelled _Sample.Sf_category sample _Sample.Sf_framecode unlabelled _Sample.Entry_ID 15808 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 alpha-Actinin4 'natural abundance' . . 1 $alpha-Actinin4 . . 3 . . mM . . . . 15808 4 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15808 4 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 15808 _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' 0.02 . M 15808 1 pH 6.8 . pH 15808 1 pressure 1 . atm 15808 1 temperature 298 . K 15808 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15808 _Software.ID 1 _Software.Name ARIA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 15808 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15808 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15808 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15808 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15808 2 stop_ save_ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 15808 _Software.ID 3 _Software.Name ANALYSIS _Software.Version 1.0.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 15808 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15808 3 'data analysis' 15808 3 'peak picking' 15808 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15808 _Software.ID 4 _Software.Name VNMR _Software.Version 4.1c _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15808 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15808 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15808 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15808 _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 Varian INOVA . 600 . . . 15808 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 15808 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15808 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $unlabelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15808 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $unlabelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15808 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $D2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15808 1 5 '3D HNCA' no . . . . . . . . . . 2 $15N_13C_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15808 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $15N_13C_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15808 1 7 '3D HNCO' no . . . . . . . . . . 2 $15N_13C_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15808 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N_13C_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15808 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $15N_13C_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15808 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15808 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15808 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 15808 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15808 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15808 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15808 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 15808 _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' . . . 15808 1 2 '2D 1H-1H TOCSY' . . . 15808 1 3 '2D 1H-1H NOESY' . . . 15808 1 4 '2D 1H-1H NOESY' . . . 15808 1 5 '3D HNCA' . . . 15808 1 6 '3D HN(CO)CA' . . . 15808 1 7 '3D HNCO' . . . 15808 1 8 '3D CBCA(CO)NH' . . . 15808 1 9 '3D HCCH-TOCSY' . . . 15808 1 10 '3D 1H-15N NOESY' . . . 15808 1 11 '3D 1H-15N TOCSY' . . . 15808 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLU HA H 1 4.372 0.002 . 1 . . . . 3 GLU HA . 15808 1 2 . 1 1 3 3 GLU HB2 H 1 2.028 0.003 . 2 . . . . 3 GLU HB2 . 15808 1 3 . 1 1 3 3 GLU HB3 H 1 2.121 0.003 . 2 . . . . 3 GLU HB3 . 15808 1 4 . 1 1 3 3 GLU HG2 H 1 2.303 0.001 . 2 . . . . 3 GLU HG2 . 15808 1 5 . 1 1 3 3 GLU HG3 H 1 2.342 0.003 . 2 . . . . 3 GLU HG3 . 15808 1 6 . 1 1 3 3 GLU C C 13 177.229 0.001 . 1 . . . . 3 GLU C . 15808 1 7 . 1 1 3 3 GLU CA C 13 57.652 0.022 . 1 . . . . 3 GLU CA . 15808 1 8 . 1 1 3 3 GLU CB C 13 30.084 0.052 . 1 . . . . 3 GLU CB . 15808 1 9 . 1 1 3 3 GLU CG C 13 35.579 0.001 . 1 . . . . 3 GLU CG . 15808 1 10 . 1 1 4 4 THR H H 1 8.223 0.003 . 1 . . . . 4 THR H . 15808 1 11 . 1 1 4 4 THR HA H 1 4.325 0.003 . 1 . . . . 4 THR HA . 15808 1 12 . 1 1 4 4 THR HB H 1 4.247 0.004 . 1 . . . . 4 THR HB . 15808 1 13 . 1 1 4 4 THR HG21 H 1 1.235 0.003 . 1 . . . . 4 THR HG1 . 15808 1 14 . 1 1 4 4 THR HG22 H 1 1.235 0.003 . 1 . . . . 4 THR HG1 . 15808 1 15 . 1 1 4 4 THR HG23 H 1 1.235 0.003 . 1 . . . . 4 THR HG1 . 15808 1 16 . 1 1 4 4 THR C C 13 175.017 0.001 . 1 . . . . 4 THR C . 15808 1 17 . 1 1 4 4 THR CA C 13 62.905 0.030 . 1 . . . . 4 THR CA . 15808 1 18 . 1 1 4 4 THR CB C 13 69.726 0.021 . 1 . . . . 4 THR CB . 15808 1 19 . 1 1 4 4 THR CG2 C 13 21.496 0.027 . 1 . . . . 4 THR CG2 . 15808 1 20 . 1 1 4 4 THR N N 15 115.083 0.051 . 1 . . . . 4 THR N . 15808 1 21 . 1 1 6 6 ALA HA H 1 4.231 0.007 . 1 . . . . 6 ALA HA . 15808 1 22 . 1 1 6 6 ALA HB1 H 1 1.416 0.010 . 1 . . . . 6 ALA HB1 . 15808 1 23 . 1 1 6 6 ALA HB2 H 1 1.416 0.010 . 1 . . . . 6 ALA HB2 . 15808 1 24 . 1 1 6 6 ALA HB3 H 1 1.416 0.010 . 1 . . . . 6 ALA HB3 . 15808 1 25 . 1 1 6 6 ALA C C 13 179.107 0.012 . 1 . . . . 6 ALA C . 15808 1 26 . 1 1 6 6 ALA CA C 13 54.111 0.026 . 1 . . . . 6 ALA CA . 15808 1 27 . 1 1 6 6 ALA CB C 13 18.755 0.055 . 1 . . . . 6 ALA CB . 15808 1 28 . 1 1 7 7 LYS H H 1 8.170 0.011 . 1 . . . . 7 LYS H . 15808 1 29 . 1 1 7 7 LYS HA H 1 4.013 0.007 . 1 . . . . 7 LYS HA . 15808 1 30 . 1 1 7 7 LYS HB2 H 1 1.896 0.005 . 1 . . . . 7 LYS HB2 . 15808 1 31 . 1 1 7 7 LYS HD2 H 1 1.602 0.004 . 2 . . . . 7 LYS HD2 . 15808 1 32 . 1 1 7 7 LYS HD3 H 1 1.761 0.008 . 2 . . . . 7 LYS HD3 . 15808 1 33 . 1 1 7 7 LYS HE2 H 1 3.063 0.005 . 1 . . . . 7 LYS HE2 . 15808 1 34 . 1 1 7 7 LYS HG2 H 1 1.492 0.007 . 1 . . . . 7 LYS HG2 . 15808 1 35 . 1 1 7 7 LYS C C 13 177.539 0.006 . 1 . . . . 7 LYS C . 15808 1 36 . 1 1 7 7 LYS CA C 13 59.496 0.054 . 1 . . . . 7 LYS CA . 15808 1 37 . 1 1 7 7 LYS CB C 13 33.335 0.045 . 1 . . . . 7 LYS CB . 15808 1 38 . 1 1 7 7 LYS CD C 13 25.181 0.086 . 1 . . . . 7 LYS CD . 15808 1 39 . 1 1 7 7 LYS CE C 13 42.294 0.054 . 1 . . . . 7 LYS CE . 15808 1 40 . 1 1 7 7 LYS CG C 13 29.858 0.088 . 1 . . . . 7 LYS CG . 15808 1 41 . 1 1 7 7 LYS N N 15 120.155 0.050 . 1 . . . . 7 LYS N . 15808 1 42 . 1 1 8 8 GLU H H 1 8.329 0.004 . 1 . . . . 8 GLU H . 15808 1 43 . 1 1 8 8 GLU HA H 1 4.109 0.006 . 1 . . . . 8 GLU HA . 15808 1 44 . 1 1 8 8 GLU HB2 H 1 2.118 0.007 . 1 . . . . 8 GLU HB2 . 15808 1 45 . 1 1 8 8 GLU HG2 H 1 2.386 0.006 . 1 . . . . 8 GLU HG2 . 15808 1 46 . 1 1 8 8 GLU C C 13 179.113 0.012 . 1 . . . . 8 GLU C . 15808 1 47 . 1 1 8 8 GLU CA C 13 59.329 0.052 . 1 . . . . 8 GLU CA . 15808 1 48 . 1 1 8 8 GLU CB C 13 29.874 0.106 . 1 . . . . 8 GLU CB . 15808 1 49 . 1 1 8 8 GLU CG C 13 36.957 0.001 . 1 . . . . 8 GLU CG . 15808 1 50 . 1 1 8 8 GLU N N 15 119.219 0.056 . 1 . . . . 8 GLU N . 15808 1 51 . 1 1 9 9 GLY H H 1 8.387 0.014 . 1 . . . . 9 GLY H . 15808 1 52 . 1 1 9 9 GLY HA2 H 1 3.943 0.004 . 2 . . . . 9 GLY HA2 . 15808 1 53 . 1 1 9 9 GLY HA3 H 1 4.006 0.004 . 2 . . . . 9 GLY HA3 . 15808 1 54 . 1 1 9 9 GLY C C 13 176.372 0.004 . 1 . . . . 9 GLY C . 15808 1 55 . 1 1 9 9 GLY CA C 13 46.973 0.030 . 1 . . . . 9 GLY CA . 15808 1 56 . 1 1 9 9 GLY N N 15 107.830 0.048 . 1 . . . . 9 GLY N . 15808 1 57 . 1 1 10 10 LEU H H 1 8.119 0.006 . 1 . . . . 10 LEU H . 15808 1 58 . 1 1 10 10 LEU HA H 1 4.248 0.007 . 1 . . . . 10 LEU HA . 15808 1 59 . 1 1 10 10 LEU HB2 H 1 1.486 0.006 . 2 . . . . 10 LEU HB2 . 15808 1 60 . 1 1 10 10 LEU HB3 H 1 1.946 0.006 . 2 . . . . 10 LEU HB3 . 15808 1 61 . 1 1 10 10 LEU HD11 H 1 0.506 0.004 . 2 . . . . 10 LEU HD11 . 15808 1 62 . 1 1 10 10 LEU HD12 H 1 0.506 0.004 . 2 . . . . 10 LEU HD12 . 15808 1 63 . 1 1 10 10 LEU HD13 H 1 0.506 0.004 . 2 . . . . 10 LEU HD13 . 15808 1 64 . 1 1 10 10 LEU HD21 H 1 0.668 0.004 . 2 . . . . 10 LEU HD21 . 15808 1 65 . 1 1 10 10 LEU HD22 H 1 0.668 0.004 . 2 . . . . 10 LEU HD22 . 15808 1 66 . 1 1 10 10 LEU HD23 H 1 0.668 0.004 . 2 . . . . 10 LEU HD23 . 15808 1 67 . 1 1 10 10 LEU HG H 1 1.725 0.003 . 1 . . . . 10 LEU HG . 15808 1 68 . 1 1 10 10 LEU C C 13 179.563 0.002 . 1 . . . . 10 LEU C . 15808 1 69 . 1 1 10 10 LEU CA C 13 57.810 0.048 . 1 . . . . 10 LEU CA . 15808 1 70 . 1 1 10 10 LEU CB C 13 42.117 0.030 . 1 . . . . 10 LEU CB . 15808 1 71 . 1 1 10 10 LEU CD1 C 13 26.056 0.001 . 2 . . . . 10 LEU CD1 . 15808 1 72 . 1 1 10 10 LEU CD2 C 13 23.533 0.001 . 2 . . . . 10 LEU CD2 . 15808 1 73 . 1 1 10 10 LEU CG C 13 27.284 0.001 . 1 . . . . 10 LEU CG . 15808 1 74 . 1 1 10 10 LEU N N 15 124.293 0.053 . 1 . . . . 10 LEU N . 15808 1 75 . 1 1 11 11 LEU H H 1 8.759 0.009 . 1 . . . . 11 LEU H . 15808 1 76 . 1 1 11 11 LEU HA H 1 3.970 0.005 . 1 . . . . 11 LEU HA . 15808 1 77 . 1 1 11 11 LEU HB2 H 1 1.600 0.005 . 2 . . . . 11 LEU HB2 . 15808 1 78 . 1 1 11 11 LEU HB3 H 1 1.930 0.006 . 2 . . . . 11 LEU HB3 . 15808 1 79 . 1 1 11 11 LEU HD11 H 1 0.092 0.005 . 2 . . . . 11 LEU HD11 . 15808 1 80 . 1 1 11 11 LEU HD12 H 1 0.092 0.005 . 2 . . . . 11 LEU HD12 . 15808 1 81 . 1 1 11 11 LEU HD13 H 1 0.092 0.005 . 2 . . . . 11 LEU HD13 . 15808 1 82 . 1 1 11 11 LEU HD21 H 1 0.608 0.004 . 2 . . . . 11 LEU HD21 . 15808 1 83 . 1 1 11 11 LEU HD22 H 1 0.608 0.004 . 2 . . . . 11 LEU HD22 . 15808 1 84 . 1 1 11 11 LEU HD23 H 1 0.608 0.004 . 2 . . . . 11 LEU HD23 . 15808 1 85 . 1 1 11 11 LEU HG H 1 1.239 0.005 . 1 . . . . 11 LEU HG . 15808 1 86 . 1 1 11 11 LEU C C 13 178.598 0.004 . 1 . . . . 11 LEU C . 15808 1 87 . 1 1 11 11 LEU CA C 13 59.175 0.064 . 1 . . . . 11 LEU CA . 15808 1 88 . 1 1 11 11 LEU CB C 13 41.294 0.053 . 1 . . . . 11 LEU CB . 15808 1 89 . 1 1 11 11 LEU CD1 C 13 22.890 0.001 . 2 . . . . 11 LEU CD1 . 15808 1 90 . 1 1 11 11 LEU CD2 C 13 25.391 0.001 . 2 . . . . 11 LEU CD2 . 15808 1 91 . 1 1 11 11 LEU CG C 13 26.641 0.001 . 1 . . . . 11 LEU CG . 15808 1 92 . 1 1 11 11 LEU N N 15 122.427 0.051 . 1 . . . . 11 LEU N . 15808 1 93 . 1 1 12 12 LEU H H 1 8.078 0.006 . 1 . . . . 12 LEU H . 15808 1 94 . 1 1 12 12 LEU HA H 1 4.282 0.004 . 1 . . . . 12 LEU HA . 15808 1 95 . 1 1 12 12 LEU HB2 H 1 1.822 0.008 . 1 . . . . 12 LEU HB2 . 15808 1 96 . 1 1 12 12 LEU HD11 H 1 0.999 0.003 . 2 . . . . 12 LEU HD11 . 15808 1 97 . 1 1 12 12 LEU HD12 H 1 0.999 0.003 . 2 . . . . 12 LEU HD12 . 15808 1 98 . 1 1 12 12 LEU HD13 H 1 0.999 0.003 . 2 . . . . 12 LEU HD13 . 15808 1 99 . 1 1 12 12 LEU HD21 H 1 1.020 0.005 . 2 . . . . 12 LEU HD21 . 15808 1 100 . 1 1 12 12 LEU HD22 H 1 1.020 0.005 . 2 . . . . 12 LEU HD22 . 15808 1 101 . 1 1 12 12 LEU HD23 H 1 1.020 0.005 . 2 . . . . 12 LEU HD23 . 15808 1 102 . 1 1 12 12 LEU HG H 1 1.766 0.006 . 1 . . . . 12 LEU HG . 15808 1 103 . 1 1 12 12 LEU C C 13 179.385 0.002 . 1 . . . . 12 LEU C . 15808 1 104 . 1 1 12 12 LEU CA C 13 58.183 0.032 . 1 . . . . 12 LEU CA . 15808 1 105 . 1 1 12 12 LEU CB C 13 42.125 0.031 . 1 . . . . 12 LEU CB . 15808 1 106 . 1 1 12 12 LEU CD2 C 13 24.519 0.019 . 1 . . . . 12 LEU CD2 . 15808 1 107 . 1 1 12 12 LEU CG C 13 27.038 0.001 . 1 . . . . 12 LEU CG . 15808 1 108 . 1 1 12 12 LEU N N 15 119.384 0.035 . 1 . . . . 12 LEU N . 15808 1 109 . 1 1 13 13 TRP H H 1 8.235 0.006 . 1 . . . . 13 TRP H . 15808 1 110 . 1 1 13 13 TRP HA H 1 4.308 0.003 . 1 . . . . 13 TRP HA . 15808 1 111 . 1 1 13 13 TRP HB2 H 1 3.513 0.007 . 2 . . . . 13 TRP HB2 . 15808 1 112 . 1 1 13 13 TRP HB3 H 1 3.853 0.008 . 2 . . . . 13 TRP HB3 . 15808 1 113 . 1 1 13 13 TRP HD1 H 1 7.659 0.010 . 1 . . . . 13 TRP HD1 . 15808 1 114 . 1 1 13 13 TRP HE1 H 1 10.727 0.014 . 1 . . . . 13 TRP HE1 . 15808 1 115 . 1 1 13 13 TRP HE3 H 1 8.183 0.005 . 1 . . . . 13 TRP HE3 . 15808 1 116 . 1 1 13 13 TRP HH2 H 1 7.136 0.004 . 1 . . . . 13 TRP HH2 . 15808 1 117 . 1 1 13 13 TRP HZ2 H 1 7.538 0.011 . 1 . . . . 13 TRP HZ2 . 15808 1 118 . 1 1 13 13 TRP HZ3 H 1 7.219 0.004 . 1 . . . . 13 TRP HZ3 . 15808 1 119 . 1 1 13 13 TRP C C 13 178.130 0.003 . 1 . . . . 13 TRP C . 15808 1 120 . 1 1 13 13 TRP CA C 13 63.050 0.077 . 1 . . . . 13 TRP CA . 15808 1 121 . 1 1 13 13 TRP CB C 13 28.619 0.040 . 1 . . . . 13 TRP CB . 15808 1 122 . 1 1 13 13 TRP N N 15 120.681 0.045 . 1 . . . . 13 TRP N . 15808 1 123 . 1 1 13 13 TRP NE1 N 15 131.241 0.001 . 1 . . . . 13 TRP NE1 . 15808 1 124 . 1 1 14 14 CYS H H 1 8.817 0.008 . 1 . . . . 14 CYS H . 15808 1 125 . 1 1 14 14 CYS HA H 1 3.796 0.010 . 1 . . . . 14 CYS HA . 15808 1 126 . 1 1 14 14 CYS HB2 H 1 2.629 0.006 . 2 . . . . 14 CYS HB2 . 15808 1 127 . 1 1 14 14 CYS HB3 H 1 3.675 0.013 . 2 . . . . 14 CYS HB3 . 15808 1 128 . 1 1 14 14 CYS C C 13 178.881 0.015 . 1 . . . . 14 CYS C . 15808 1 129 . 1 1 14 14 CYS CA C 13 64.723 0.075 . 1 . . . . 14 CYS CA . 15808 1 130 . 1 1 14 14 CYS CB C 13 28.139 0.047 . 1 . . . . 14 CYS CB . 15808 1 131 . 1 1 14 14 CYS N N 15 115.858 0.061 . 1 . . . . 14 CYS N . 15808 1 132 . 1 1 15 15 GLN H H 1 8.832 0.004 . 1 . . . . 15 GLN H . 15808 1 133 . 1 1 15 15 GLN HA H 1 3.669 0.008 . 1 . . . . 15 GLN HA . 15808 1 134 . 1 1 15 15 GLN HB2 H 1 1.884 0.006 . 2 . . . . 15 GLN HB2 . 15808 1 135 . 1 1 15 15 GLN HB3 H 1 2.479 0.006 . 2 . . . . 15 GLN HB3 . 15808 1 136 . 1 1 15 15 GLN HE21 H 1 6.643 0.011 . 1 . . . . 15 GLN HE21 . 15808 1 137 . 1 1 15 15 GLN HE22 H 1 7.393 0.005 . 1 . . . . 15 GLN HE22 . 15808 1 138 . 1 1 15 15 GLN HG2 H 1 2.462 0.010 . 2 . . . . 15 GLN HG2 . 15808 1 139 . 1 1 15 15 GLN HG3 H 1 2.540 0.005 . 2 . . . . 15 GLN HG3 . 15808 1 140 . 1 1 15 15 GLN C C 13 178.160 0.006 . 1 . . . . 15 GLN C . 15808 1 141 . 1 1 15 15 GLN CA C 13 59.885 0.057 . 1 . . . . 15 GLN CA . 15808 1 142 . 1 1 15 15 GLN CB C 13 27.903 0.019 . 1 . . . . 15 GLN CB . 15808 1 143 . 1 1 15 15 GLN CG C 13 34.380 0.001 . 1 . . . . 15 GLN CG . 15808 1 144 . 1 1 15 15 GLN N N 15 121.776 0.047 . 1 . . . . 15 GLN N . 15808 1 145 . 1 1 15 15 GLN NE2 N 15 108.363 0.004 . 1 . . . . 15 GLN NE2 . 15808 1 146 . 1 1 16 16 ARG H H 1 8.605 0.004 . 1 . . . . 16 ARG H . 15808 1 147 . 1 1 16 16 ARG HA H 1 4.085 0.009 . 1 . . . . 16 ARG HA . 15808 1 148 . 1 1 16 16 ARG HB2 H 1 1.874 0.004 . 2 . . . . 16 ARG HB2 . 15808 1 149 . 1 1 16 16 ARG HB3 H 1 1.979 0.008 . 2 . . . . 16 ARG HB3 . 15808 1 150 . 1 1 16 16 ARG HD2 H 1 3.250 0.006 . 1 . . . . 16 ARG HD2 . 15808 1 151 . 1 1 16 16 ARG HG2 H 1 1.681 0.011 . 2 . . . . 16 ARG HG2 . 15808 1 152 . 1 1 16 16 ARG HG3 H 1 1.876 0.003 . 2 . . . . 16 ARG HG3 . 15808 1 153 . 1 1 16 16 ARG C C 13 180.628 0.016 . 1 . . . . 16 ARG C . 15808 1 154 . 1 1 16 16 ARG CA C 13 59.568 0.059 . 1 . . . . 16 ARG CA . 15808 1 155 . 1 1 16 16 ARG CB C 13 30.450 0.038 . 1 . . . . 16 ARG CB . 15808 1 156 . 1 1 16 16 ARG CD C 13 43.765 0.029 . 1 . . . . 16 ARG CD . 15808 1 157 . 1 1 16 16 ARG CG C 13 27.885 0.087 . 1 . . . . 16 ARG CG . 15808 1 158 . 1 1 16 16 ARG N N 15 119.616 0.044 . 1 . . . . 16 ARG N . 15808 1 159 . 1 1 17 17 LYS H H 1 8.251 0.009 . 1 . . . . 17 LYS H . 15808 1 160 . 1 1 17 17 LYS HA H 1 3.961 0.007 . 1 . . . . 17 LYS HA . 15808 1 161 . 1 1 17 17 LYS HB2 H 1 1.260 0.014 . 2 . . . . 17 LYS HB2 . 15808 1 162 . 1 1 17 17 LYS HB3 H 1 1.439 0.003 . 2 . . . . 17 LYS HB3 . 15808 1 163 . 1 1 17 17 LYS HD2 H 1 1.157 0.005 . 2 . . . . 17 LYS HD2 . 15808 1 164 . 1 1 17 17 LYS HD3 H 1 1.416 0.007 . 2 . . . . 17 LYS HD3 . 15808 1 165 . 1 1 17 17 LYS HE2 H 1 2.799 0.006 . 2 . . . . 17 LYS HE2 . 15808 1 166 . 1 1 17 17 LYS HE3 H 1 3.041 0.006 . 2 . . . . 17 LYS HE3 . 15808 1 167 . 1 1 17 17 LYS HG2 H 1 0.219 0.008 . 2 . . . . 17 LYS HG2 . 15808 1 168 . 1 1 17 17 LYS HG3 H 1 0.855 0.008 . 2 . . . . 17 LYS HG3 . 15808 1 169 . 1 1 17 17 LYS C C 13 176.849 0.002 . 1 . . . . 17 LYS C . 15808 1 170 . 1 1 17 17 LYS CA C 13 56.273 0.037 . 1 . . . . 17 LYS CA . 15808 1 171 . 1 1 17 17 LYS CB C 13 32.460 0.021 . 1 . . . . 17 LYS CB . 15808 1 172 . 1 1 17 17 LYS CD C 13 27.279 0.031 . 1 . . . . 17 LYS CD . 15808 1 173 . 1 1 17 17 LYS CE C 13 42.067 0.041 . 1 . . . . 17 LYS CE . 15808 1 174 . 1 1 17 17 LYS CG C 13 22.969 0.076 . 1 . . . . 17 LYS CG . 15808 1 175 . 1 1 17 17 LYS N N 15 115.611 0.039 . 1 . . . . 17 LYS N . 15808 1 176 . 1 1 18 18 THR H H 1 7.329 0.004 . 1 . . . . 18 THR H . 15808 1 177 . 1 1 18 18 THR HA H 1 4.603 0.005 . 1 . . . . 18 THR HA . 15808 1 178 . 1 1 18 18 THR HB H 1 4.337 0.007 . 1 . . . . 18 THR HB . 15808 1 179 . 1 1 18 18 THR HG21 H 1 0.918 0.005 . 1 . . . . 18 THR HG1 . 15808 1 180 . 1 1 18 18 THR HG22 H 1 0.918 0.005 . 1 . . . . 18 THR HG1 . 15808 1 181 . 1 1 18 18 THR HG23 H 1 0.918 0.005 . 1 . . . . 18 THR HG1 . 15808 1 182 . 1 1 18 18 THR C C 13 174.895 0.001 . 1 . . . . 18 THR C . 15808 1 183 . 1 1 18 18 THR CA C 13 61.173 0.066 . 1 . . . . 18 THR CA . 15808 1 184 . 1 1 18 18 THR CB C 13 69.916 0.098 . 1 . . . . 18 THR CB . 15808 1 185 . 1 1 18 18 THR CG2 C 13 20.929 0.083 . 1 . . . . 18 THR CG2 . 15808 1 186 . 1 1 18 18 THR N N 15 101.781 0.092 . 1 . . . . 18 THR N . 15808 1 187 . 1 1 19 19 ALA H H 1 7.136 0.006 . 1 . . . . 19 ALA H . 15808 1 188 . 1 1 19 19 ALA HA H 1 4.236 0.003 . 1 . . . . 19 ALA HA . 15808 1 189 . 1 1 19 19 ALA HB1 H 1 1.488 0.001 . 1 . . . . 19 ALA HB1 . 15808 1 190 . 1 1 19 19 ALA HB2 H 1 1.488 0.001 . 1 . . . . 19 ALA HB2 . 15808 1 191 . 1 1 19 19 ALA HB3 H 1 1.488 0.001 . 1 . . . . 19 ALA HB3 . 15808 1 192 . 1 1 19 19 ALA C C 13 175.601 0.001 . 1 . . . . 19 ALA C . 15808 1 193 . 1 1 19 19 ALA CA C 13 56.379 0.078 . 1 . . . . 19 ALA CA . 15808 1 194 . 1 1 19 19 ALA CB C 13 16.648 0.001 . 1 . . . . 19 ALA CB . 15808 1 195 . 1 1 19 19 ALA N N 15 127.769 0.047 . 1 . . . . 19 ALA N . 15808 1 196 . 1 1 20 20 PRO HA H 1 4.261 0.001 . 1 . . . . 20 PRO HA . 15808 1 197 . 1 1 20 20 PRO HB2 H 1 0.889 0.008 . 2 . . . . 20 PRO HB2 . 15808 1 198 . 1 1 20 20 PRO HB3 H 1 2.011 0.005 . 2 . . . . 20 PRO HB3 . 15808 1 199 . 1 1 20 20 PRO HD2 H 1 3.210 0.006 . 2 . . . . 20 PRO HD2 . 15808 1 200 . 1 1 20 20 PRO HD3 H 1 3.498 0.005 . 2 . . . . 20 PRO HD3 . 15808 1 201 . 1 1 20 20 PRO HG2 H 1 1.484 0.005 . 2 . . . . 20 PRO HG2 . 15808 1 202 . 1 1 20 20 PRO HG3 H 1 1.709 0.011 . 2 . . . . 20 PRO HG3 . 15808 1 203 . 1 1 20 20 PRO C C 13 175.764 0.001 . 1 . . . . 20 PRO C . 15808 1 204 . 1 1 20 20 PRO CA C 13 64.854 0.063 . 1 . . . . 20 PRO CA . 15808 1 205 . 1 1 20 20 PRO CB C 13 31.382 0.013 . 1 . . . . 20 PRO CB . 15808 1 206 . 1 1 20 20 PRO CD C 13 51.395 0.037 . 1 . . . . 20 PRO CD . 15808 1 207 . 1 1 20 20 PRO CG C 13 27.616 0.058 . 1 . . . . 20 PRO CG . 15808 1 208 . 1 1 21 21 TYR H H 1 7.544 0.003 . 1 . . . . 21 TYR H . 15808 1 209 . 1 1 21 21 TYR HA H 1 4.210 0.005 . 1 . . . . 21 TYR HA . 15808 1 210 . 1 1 21 21 TYR HB2 H 1 2.684 0.006 . 2 . . . . 21 TYR HB2 . 15808 1 211 . 1 1 21 21 TYR HB3 H 1 2.877 0.005 . 2 . . . . 21 TYR HB3 . 15808 1 212 . 1 1 21 21 TYR HD1 H 1 6.514 0.004 . 3 . . . . 21 TYR HD1 . 15808 1 213 . 1 1 21 21 TYR HD2 H 1 6.514 0.004 . 3 . . . . 21 TYR HD2 . 15808 1 214 . 1 1 21 21 TYR HE1 H 1 6.279 0.005 . 3 . . . . 21 TYR HE1 . 15808 1 215 . 1 1 21 21 TYR HE2 H 1 6.279 0.005 . 3 . . . . 21 TYR HE2 . 15808 1 216 . 1 1 21 21 TYR C C 13 175.896 0.034 . 1 . . . . 21 TYR C . 15808 1 217 . 1 1 21 21 TYR CA C 13 57.521 0.099 . 1 . . . . 21 TYR CA . 15808 1 218 . 1 1 21 21 TYR CB C 13 37.309 0.044 . 1 . . . . 21 TYR CB . 15808 1 219 . 1 1 21 21 TYR N N 15 118.191 0.041 . 1 . . . . 21 TYR N . 15808 1 220 . 1 1 22 22 LYS H H 1 8.542 0.015 . 1 . . . . 22 LYS H . 15808 1 221 . 1 1 22 22 LYS HA H 1 4.187 0.004 . 1 . . . . 22 LYS HA . 15808 1 222 . 1 1 22 22 LYS HB2 H 1 1.805 0.008 . 2 . . . . 22 LYS HB2 . 15808 1 223 . 1 1 22 22 LYS HB3 H 1 1.928 0.006 . 2 . . . . 22 LYS HB3 . 15808 1 224 . 1 1 22 22 LYS HD2 H 1 1.667 0.004 . 1 . . . . 22 LYS HD2 . 15808 1 225 . 1 1 22 22 LYS HE2 H 1 2.982 0.005 . 1 . . . . 22 LYS HE2 . 15808 1 226 . 1 1 22 22 LYS HG2 H 1 1.509 0.005 . 1 . . . . 22 LYS HG2 . 15808 1 227 . 1 1 22 22 LYS C C 13 176.703 0.025 . 1 . . . . 22 LYS C . 15808 1 228 . 1 1 22 22 LYS CA C 13 57.929 0.051 . 1 . . . . 22 LYS CA . 15808 1 229 . 1 1 22 22 LYS CB C 13 31.964 0.026 . 1 . . . . 22 LYS CB . 15808 1 230 . 1 1 22 22 LYS CD C 13 28.651 0.082 . 1 . . . . 22 LYS CD . 15808 1 231 . 1 1 22 22 LYS CE C 13 42.215 0.001 . 1 . . . . 22 LYS CE . 15808 1 232 . 1 1 22 22 LYS CG C 13 24.930 0.037 . 1 . . . . 22 LYS CG . 15808 1 233 . 1 1 22 22 LYS N N 15 122.713 0.044 . 1 . . . . 22 LYS N . 15808 1 234 . 1 1 23 23 ASN H H 1 8.072 0.003 . 1 . . . . 23 ASN H . 15808 1 235 . 1 1 23 23 ASN HA H 1 4.630 0.006 . 1 . . . . 23 ASN HA . 15808 1 236 . 1 1 23 23 ASN HB2 H 1 2.813 0.010 . 2 . . . . 23 ASN HB2 . 15808 1 237 . 1 1 23 23 ASN HB3 H 1 3.136 0.010 . 2 . . . . 23 ASN HB3 . 15808 1 238 . 1 1 23 23 ASN HD21 H 1 6.676 0.004 . 1 . . . . 23 ASN HD21 . 15808 1 239 . 1 1 23 23 ASN HD22 H 1 7.716 0.015 . 1 . . . . 23 ASN HD22 . 15808 1 240 . 1 1 23 23 ASN C C 13 173.282 0.001 . 1 . . . . 23 ASN C . 15808 1 241 . 1 1 23 23 ASN CA C 13 51.937 0.029 . 1 . . . . 23 ASN CA . 15808 1 242 . 1 1 23 23 ASN CB C 13 37.164 0.068 . 1 . . . . 23 ASN CB . 15808 1 243 . 1 1 23 23 ASN N N 15 114.159 0.041 . 1 . . . . 23 ASN N . 15808 1 244 . 1 1 23 23 ASN ND2 N 15 110.976 0.035 . 1 . . . . 23 ASN ND2 . 15808 1 245 . 1 1 24 24 VAL H H 1 7.498 0.004 . 1 . . . . 24 VAL H . 15808 1 246 . 1 1 24 24 VAL HA H 1 3.878 0.005 . 1 . . . . 24 VAL HA . 15808 1 247 . 1 1 24 24 VAL HB H 1 1.925 0.005 . 1 . . . . 24 VAL HB . 15808 1 248 . 1 1 24 24 VAL HG11 H 1 0.676 0.003 . 2 . . . . 24 VAL HG11 . 15808 1 249 . 1 1 24 24 VAL HG12 H 1 0.676 0.003 . 2 . . . . 24 VAL HG12 . 15808 1 250 . 1 1 24 24 VAL HG13 H 1 0.676 0.003 . 2 . . . . 24 VAL HG13 . 15808 1 251 . 1 1 24 24 VAL HG21 H 1 0.699 0.005 . 2 . . . . 24 VAL HG21 . 15808 1 252 . 1 1 24 24 VAL HG22 H 1 0.699 0.005 . 2 . . . . 24 VAL HG22 . 15808 1 253 . 1 1 24 24 VAL HG23 H 1 0.699 0.005 . 2 . . . . 24 VAL HG23 . 15808 1 254 . 1 1 24 24 VAL C C 13 174.197 0.001 . 1 . . . . 24 VAL C . 15808 1 255 . 1 1 24 24 VAL CA C 13 61.236 0.053 . 1 . . . . 24 VAL CA . 15808 1 256 . 1 1 24 24 VAL CB C 13 34.962 0.060 . 1 . . . . 24 VAL CB . 15808 1 257 . 1 1 24 24 VAL CG2 C 13 22.898 0.026 . 1 . . . . 24 VAL CG2 . 15808 1 258 . 1 1 24 24 VAL N N 15 118.844 0.026 . 1 . . . . 24 VAL N . 15808 1 259 . 1 1 25 25 ASN H H 1 8.740 0.009 . 1 . . . . 25 ASN H . 15808 1 260 . 1 1 25 25 ASN HA H 1 4.594 0.007 . 1 . . . . 25 ASN HA . 15808 1 261 . 1 1 25 25 ASN HB2 H 1 2.601 0.007 . 2 . . . . 25 ASN HB2 . 15808 1 262 . 1 1 25 25 ASN HB3 H 1 2.681 0.004 . 2 . . . . 25 ASN HB3 . 15808 1 263 . 1 1 25 25 ASN HD21 H 1 6.680 0.013 . 1 . . . . 25 ASN HD21 . 15808 1 264 . 1 1 25 25 ASN HD22 H 1 7.446 0.015 . 1 . . . . 25 ASN HD22 . 15808 1 265 . 1 1 25 25 ASN C C 13 174.181 0.017 . 1 . . . . 25 ASN C . 15808 1 266 . 1 1 25 25 ASN CA C 13 52.568 0.054 . 1 . . . . 25 ASN CA . 15808 1 267 . 1 1 25 25 ASN CB C 13 39.048 0.069 . 1 . . . . 25 ASN CB . 15808 1 268 . 1 1 25 25 ASN N N 15 123.698 0.054 . 1 . . . . 25 ASN N . 15808 1 269 . 1 1 25 25 ASN ND2 N 15 110.129 0.025 . 1 . . . . 25 ASN ND2 . 15808 1 270 . 1 1 26 26 VAL H H 1 9.088 0.008 . 1 . . . . 26 VAL H . 15808 1 271 . 1 1 26 26 VAL HA H 1 3.292 0.007 . 1 . . . . 26 VAL HA . 15808 1 272 . 1 1 26 26 VAL HB H 1 1.597 0.005 . 1 . . . . 26 VAL HB . 15808 1 273 . 1 1 26 26 VAL HG11 H 1 0.110 0.006 . 2 . . . . 26 VAL HG11 . 15808 1 274 . 1 1 26 26 VAL HG12 H 1 0.110 0.006 . 2 . . . . 26 VAL HG12 . 15808 1 275 . 1 1 26 26 VAL HG13 H 1 0.110 0.006 . 2 . . . . 26 VAL HG13 . 15808 1 276 . 1 1 26 26 VAL HG21 H 1 0.654 0.005 . 2 . . . . 26 VAL HG21 . 15808 1 277 . 1 1 26 26 VAL HG22 H 1 0.654 0.005 . 2 . . . . 26 VAL HG22 . 15808 1 278 . 1 1 26 26 VAL HG23 H 1 0.654 0.005 . 2 . . . . 26 VAL HG23 . 15808 1 279 . 1 1 26 26 VAL C C 13 175.203 0.006 . 1 . . . . 26 VAL C . 15808 1 280 . 1 1 26 26 VAL CA C 13 64.538 0.072 . 1 . . . . 26 VAL CA . 15808 1 281 . 1 1 26 26 VAL CB C 13 31.257 0.068 . 1 . . . . 26 VAL CB . 15808 1 282 . 1 1 26 26 VAL CG1 C 13 21.325 0.099 . 2 . . . . 26 VAL CG1 . 15808 1 283 . 1 1 26 26 VAL CG2 C 13 22.221 0.042 . 2 . . . . 26 VAL CG2 . 15808 1 284 . 1 1 26 26 VAL N N 15 124.898 0.041 . 1 . . . . 26 VAL N . 15808 1 285 . 1 1 27 27 GLN H H 1 8.147 0.017 . 1 . . . . 27 GLN H . 15808 1 286 . 1 1 27 27 GLN HA H 1 4.219 0.003 . 1 . . . . 27 GLN HA . 15808 1 287 . 1 1 27 27 GLN HB2 H 1 1.450 0.006 . 2 . . . . 27 GLN HB2 . 15808 1 288 . 1 1 27 27 GLN HB3 H 1 2.332 0.005 . 2 . . . . 27 GLN HB3 . 15808 1 289 . 1 1 27 27 GLN HE21 H 1 6.761 0.008 . 1 . . . . 27 GLN HE21 . 15808 1 290 . 1 1 27 27 GLN HE22 H 1 7.599 0.014 . 1 . . . . 27 GLN HE22 . 15808 1 291 . 1 1 27 27 GLN HG2 H 1 1.968 0.006 . 2 . . . . 27 GLN HG2 . 15808 1 292 . 1 1 27 27 GLN HG3 H 1 2.167 0.008 . 2 . . . . 27 GLN HG3 . 15808 1 293 . 1 1 27 27 GLN C C 13 173.885 0.013 . 1 . . . . 27 GLN C . 15808 1 294 . 1 1 27 27 GLN CA C 13 54.866 0.034 . 1 . . . . 27 GLN CA . 15808 1 295 . 1 1 27 27 GLN CB C 13 32.288 0.054 . 1 . . . . 27 GLN CB . 15808 1 296 . 1 1 27 27 GLN CG C 13 32.853 0.073 . 1 . . . . 27 GLN CG . 15808 1 297 . 1 1 27 27 GLN N N 15 125.164 0.073 . 1 . . . . 27 GLN N . 15808 1 298 . 1 1 27 27 GLN NE2 N 15 113.011 0.025 . 1 . . . . 27 GLN NE2 . 15808 1 299 . 1 1 28 28 ASN H H 1 7.541 0.003 . 1 . . . . 28 ASN H . 15808 1 300 . 1 1 28 28 ASN HA H 1 4.251 0.005 . 1 . . . . 28 ASN HA . 15808 1 301 . 1 1 28 28 ASN HB2 H 1 2.041 0.006 . 2 . . . . 28 ASN HB2 . 15808 1 302 . 1 1 28 28 ASN HB3 H 1 2.975 0.012 . 2 . . . . 28 ASN HB3 . 15808 1 303 . 1 1 28 28 ASN HD21 H 1 6.134 0.003 . 1 . . . . 28 ASN HD21 . 15808 1 304 . 1 1 28 28 ASN HD22 H 1 8.015 0.014 . 1 . . . . 28 ASN HD22 . 15808 1 305 . 1 1 28 28 ASN C C 13 173.691 0.016 . 1 . . . . 28 ASN C . 15808 1 306 . 1 1 28 28 ASN CA C 13 52.071 0.056 . 1 . . . . 28 ASN CA . 15808 1 307 . 1 1 28 28 ASN CB C 13 39.686 0.063 . 1 . . . . 28 ASN CB . 15808 1 308 . 1 1 28 28 ASN N N 15 112.714 0.043 . 1 . . . . 28 ASN N . 15808 1 309 . 1 1 28 28 ASN ND2 N 15 118.735 0.057 . 1 . . . . 28 ASN ND2 . 15808 1 310 . 1 1 29 29 PHE H H 1 9.337 0.012 . 1 . . . . 29 PHE H . 15808 1 311 . 1 1 29 29 PHE HA H 1 5.176 0.005 . 1 . . . . 29 PHE HA . 15808 1 312 . 1 1 29 29 PHE HB2 H 1 2.699 0.006 . 2 . . . . 29 PHE HB2 . 15808 1 313 . 1 1 29 29 PHE HB3 H 1 3.776 0.004 . 2 . . . . 29 PHE HB3 . 15808 1 314 . 1 1 29 29 PHE HD1 H 1 6.996 0.003 . 3 . . . . 29 PHE HD1 . 15808 1 315 . 1 1 29 29 PHE HD2 H 1 6.996 0.003 . 3 . . . . 29 PHE HD2 . 15808 1 316 . 1 1 29 29 PHE HE1 H 1 7.421 0.005 . 3 . . . . 29 PHE HE1 . 15808 1 317 . 1 1 29 29 PHE HE2 H 1 7.421 0.005 . 3 . . . . 29 PHE HE2 . 15808 1 318 . 1 1 29 29 PHE HZ H 1 6.983 0.001 . 1 . . . . 29 PHE HZ . 15808 1 319 . 1 1 29 29 PHE C C 13 171.870 0.004 . 1 . . . . 29 PHE C . 15808 1 320 . 1 1 29 29 PHE CA C 13 58.955 0.045 . 1 . . . . 29 PHE CA . 15808 1 321 . 1 1 29 29 PHE CB C 13 38.879 0.037 . 1 . . . . 29 PHE CB . 15808 1 322 . 1 1 29 29 PHE N N 15 116.571 0.043 . 1 . . . . 29 PHE N . 15808 1 323 . 1 1 30 30 HIS H H 1 8.534 0.005 . 1 . . . . 30 HIS H . 15808 1 324 . 1 1 30 30 HIS HA H 1 5.040 0.005 . 1 . . . . 30 HIS HA . 15808 1 325 . 1 1 30 30 HIS HB2 H 1 3.044 0.009 . 2 . . . . 30 HIS HB2 . 15808 1 326 . 1 1 30 30 HIS HB3 H 1 3.105 0.005 . 2 . . . . 30 HIS HB3 . 15808 1 327 . 1 1 30 30 HIS HD2 H 1 7.153 0.004 . 1 . . . . 30 HIS HD2 . 15808 1 328 . 1 1 30 30 HIS HE1 H 1 7.829 0.007 . 1 . . . . 30 HIS HE1 . 15808 1 329 . 1 1 30 30 HIS C C 13 176.889 0.001 . 1 . . . . 30 HIS C . 15808 1 330 . 1 1 30 30 HIS CA C 13 57.122 0.051 . 1 . . . . 30 HIS CA . 15808 1 331 . 1 1 30 30 HIS CB C 13 31.910 0.068 . 1 . . . . 30 HIS CB . 15808 1 332 . 1 1 30 30 HIS N N 15 112.608 0.047 . 1 . . . . 30 HIS N . 15808 1 333 . 1 1 31 31 ILE HA H 1 3.934 0.003 . 1 . . . . 31 ILE HA . 15808 1 334 . 1 1 31 31 ILE HB H 1 2.248 0.004 . 1 . . . . 31 ILE HB . 15808 1 335 . 1 1 31 31 ILE HD11 H 1 1.132 0.004 . 1 . . . . 31 ILE HD11 . 15808 1 336 . 1 1 31 31 ILE HD12 H 1 1.132 0.004 . 1 . . . . 31 ILE HD12 . 15808 1 337 . 1 1 31 31 ILE HD13 H 1 1.132 0.004 . 1 . . . . 31 ILE HD13 . 15808 1 338 . 1 1 31 31 ILE HG12 H 1 1.743 0.006 . 2 . . . . 31 ILE HG12 . 15808 1 339 . 1 1 31 31 ILE HG13 H 1 1.940 0.009 . 2 . . . . 31 ILE HG13 . 15808 1 340 . 1 1 31 31 ILE HG21 H 1 1.361 0.005 . 1 . . . . 31 ILE HG21 . 15808 1 341 . 1 1 31 31 ILE HG22 H 1 1.361 0.005 . 1 . . . . 31 ILE HG22 . 15808 1 342 . 1 1 31 31 ILE HG23 H 1 1.361 0.005 . 1 . . . . 31 ILE HG23 . 15808 1 343 . 1 1 31 31 ILE C C 13 178.515 0.006 . 1 . . . . 31 ILE C . 15808 1 344 . 1 1 31 31 ILE CA C 13 66.562 0.069 . 1 . . . . 31 ILE CA . 15808 1 345 . 1 1 31 31 ILE CB C 13 39.150 0.020 . 1 . . . . 31 ILE CB . 15808 1 346 . 1 1 31 31 ILE CD1 C 13 14.297 0.001 . 1 . . . . 31 ILE CD1 . 15808 1 347 . 1 1 31 31 ILE CG1 C 13 28.286 0.001 . 1 . . . . 31 ILE CG1 . 15808 1 348 . 1 1 31 31 ILE CG2 C 13 19.070 0.030 . 1 . . . . 31 ILE CG2 . 15808 1 349 . 1 1 32 32 SER H H 1 9.417 0.006 . 1 . . . . 32 SER H . 15808 1 350 . 1 1 32 32 SER HA H 1 4.377 0.007 . 1 . . . . 32 SER HA . 15808 1 351 . 1 1 32 32 SER HB2 H 1 3.491 0.006 . 2 . . . . 32 SER HB2 . 15808 1 352 . 1 1 32 32 SER HB3 H 1 3.645 0.006 . 2 . . . . 32 SER HB3 . 15808 1 353 . 1 1 32 32 SER C C 13 173.728 0.006 . 1 . . . . 32 SER C . 15808 1 354 . 1 1 32 32 SER CA C 13 61.959 0.050 . 1 . . . . 32 SER CA . 15808 1 355 . 1 1 32 32 SER CB C 13 64.305 0.076 . 1 . . . . 32 SER CB . 15808 1 356 . 1 1 32 32 SER N N 15 117.330 0.056 . 1 . . . . 32 SER N . 15808 1 357 . 1 1 33 33 TRP H H 1 8.255 0.005 . 1 . . . . 33 TRP H . 15808 1 358 . 1 1 33 33 TRP HA H 1 4.224 0.007 . 1 . . . . 33 TRP HA . 15808 1 359 . 1 1 33 33 TRP HB2 H 1 2.926 0.004 . 2 . . . . 33 TRP HB2 . 15808 1 360 . 1 1 33 33 TRP HB3 H 1 3.415 0.006 . 2 . . . . 33 TRP HB3 . 15808 1 361 . 1 1 33 33 TRP HD1 H 1 6.971 0.004 . 1 . . . . 33 TRP HD1 . 15808 1 362 . 1 1 33 33 TRP HE1 H 1 10.131 0.006 . 1 . . . . 33 TRP HE1 . 15808 1 363 . 1 1 33 33 TRP HE3 H 1 5.672 0.004 . 1 . . . . 33 TRP HE3 . 15808 1 364 . 1 1 33 33 TRP HH2 H 1 6.950 0.003 . 1 . . . . 33 TRP HH2 . 15808 1 365 . 1 1 33 33 TRP HZ2 H 1 7.251 0.004 . 1 . . . . 33 TRP HZ2 . 15808 1 366 . 1 1 33 33 TRP HZ3 H 1 6.060 0.003 . 1 . . . . 33 TRP HZ3 . 15808 1 367 . 1 1 33 33 TRP C C 13 177.118 0.003 . 1 . . . . 33 TRP C . 15808 1 368 . 1 1 33 33 TRP CA C 13 57.558 0.055 . 1 . . . . 33 TRP CA . 15808 1 369 . 1 1 33 33 TRP CB C 13 29.538 0.045 . 1 . . . . 33 TRP CB . 15808 1 370 . 1 1 33 33 TRP N N 15 119.805 0.046 . 1 . . . . 33 TRP N . 15808 1 371 . 1 1 33 33 TRP NE1 N 15 128.971 0.001 . 1 . . . . 33 TRP NE1 . 15808 1 372 . 1 1 34 34 LYS H H 1 7.393 0.005 . 1 . . . . 34 LYS H . 15808 1 373 . 1 1 34 34 LYS HA H 1 3.977 0.006 . 1 . . . . 34 LYS HA . 15808 1 374 . 1 1 34 34 LYS HB2 H 1 1.912 0.006 . 2 . . . . 34 LYS HB2 . 15808 1 375 . 1 1 34 34 LYS HB3 H 1 2.081 0.005 . 2 . . . . 34 LYS HB3 . 15808 1 376 . 1 1 34 34 LYS HD2 H 1 1.814 0.002 . 1 . . . . 34 LYS HD2 . 15808 1 377 . 1 1 34 34 LYS HE2 H 1 3.242 0.006 . 2 . . . . 34 LYS HE2 . 15808 1 378 . 1 1 34 34 LYS HE3 H 1 3.388 0.005 . 2 . . . . 34 LYS HE3 . 15808 1 379 . 1 1 34 34 LYS HG2 H 1 1.741 0.002 . 1 . . . . 34 LYS HG2 . 15808 1 380 . 1 1 34 34 LYS C C 13 175.197 0.005 . 1 . . . . 34 LYS C . 15808 1 381 . 1 1 34 34 LYS CA C 13 59.950 0.068 . 1 . . . . 34 LYS CA . 15808 1 382 . 1 1 34 34 LYS CB C 13 34.168 0.017 . 1 . . . . 34 LYS CB . 15808 1 383 . 1 1 34 34 LYS CE C 13 41.753 0.047 . 1 . . . . 34 LYS CE . 15808 1 384 . 1 1 34 34 LYS CG C 13 25.920 0.039 . 1 . . . . 34 LYS CG . 15808 1 385 . 1 1 34 34 LYS N N 15 120.179 0.035 . 1 . . . . 34 LYS N . 15808 1 386 . 1 1 35 35 ASP H H 1 7.868 0.011 . 1 . . . . 35 ASP H . 15808 1 387 . 1 1 35 35 ASP HA H 1 4.769 0.007 . 1 . . . . 35 ASP HA . 15808 1 388 . 1 1 35 35 ASP HB2 H 1 2.575 0.005 . 2 . . . . 35 ASP HB2 . 15808 1 389 . 1 1 35 35 ASP HB3 H 1 3.368 0.004 . 2 . . . . 35 ASP HB3 . 15808 1 390 . 1 1 35 35 ASP C C 13 177.169 0.007 . 1 . . . . 35 ASP C . 15808 1 391 . 1 1 35 35 ASP CA C 13 53.785 0.027 . 1 . . . . 35 ASP CA . 15808 1 392 . 1 1 35 35 ASP CB C 13 40.660 0.011 . 1 . . . . 35 ASP CB . 15808 1 393 . 1 1 35 35 ASP N N 15 111.105 0.040 . 1 . . . . 35 ASP N . 15808 1 394 . 1 1 36 36 GLY H H 1 7.507 0.003 . 1 . . . . 36 GLY H . 15808 1 395 . 1 1 36 36 GLY HA2 H 1 4.072 0.005 . 2 . . . . 36 GLY HA2 . 15808 1 396 . 1 1 36 36 GLY HA3 H 1 4.134 0.003 . 2 . . . . 36 GLY HA3 . 15808 1 397 . 1 1 36 36 GLY C C 13 175.666 0.003 . 1 . . . . 36 GLY C . 15808 1 398 . 1 1 36 36 GLY CA C 13 47.451 0.049 . 1 . . . . 36 GLY CA . 15808 1 399 . 1 1 36 36 GLY N N 15 103.065 0.037 . 1 . . . . 36 GLY N . 15808 1 400 . 1 1 37 37 LEU H H 1 8.903 0.010 . 1 . . . . 37 LEU H . 15808 1 401 . 1 1 37 37 LEU HA H 1 3.933 0.005 . 1 . . . . 37 LEU HA . 15808 1 402 . 1 1 37 37 LEU HB2 H 1 1.510 0.006 . 2 . . . . 37 LEU HB2 . 15808 1 403 . 1 1 37 37 LEU HB3 H 1 1.880 0.006 . 2 . . . . 37 LEU HB3 . 15808 1 404 . 1 1 37 37 LEU HD11 H 1 0.362 0.005 . 2 . . . . 37 LEU HD11 . 15808 1 405 . 1 1 37 37 LEU HD12 H 1 0.362 0.005 . 2 . . . . 37 LEU HD12 . 15808 1 406 . 1 1 37 37 LEU HD13 H 1 0.362 0.005 . 2 . . . . 37 LEU HD13 . 15808 1 407 . 1 1 37 37 LEU HD21 H 1 0.677 0.005 . 2 . . . . 37 LEU HD21 . 15808 1 408 . 1 1 37 37 LEU HD22 H 1 0.677 0.005 . 2 . . . . 37 LEU HD22 . 15808 1 409 . 1 1 37 37 LEU HD23 H 1 0.677 0.005 . 2 . . . . 37 LEU HD23 . 15808 1 410 . 1 1 37 37 LEU HG H 1 1.255 0.005 . 1 . . . . 37 LEU HG . 15808 1 411 . 1 1 37 37 LEU C C 13 178.708 0.002 . 1 . . . . 37 LEU C . 15808 1 412 . 1 1 37 37 LEU CA C 13 59.297 0.043 . 1 . . . . 37 LEU CA . 15808 1 413 . 1 1 37 37 LEU CB C 13 39.838 0.022 . 1 . . . . 37 LEU CB . 15808 1 414 . 1 1 37 37 LEU CD1 C 13 23.413 0.048 . 2 . . . . 37 LEU CD1 . 15808 1 415 . 1 1 37 37 LEU CD2 C 13 25.917 0.047 . 2 . . . . 37 LEU CD2 . 15808 1 416 . 1 1 37 37 LEU CG C 13 27.273 0.060 . 1 . . . . 37 LEU CG . 15808 1 417 . 1 1 37 37 LEU N N 15 124.814 0.046 . 1 . . . . 37 LEU N . 15808 1 418 . 1 1 38 38 ALA H H 1 8.858 0.006 . 1 . . . . 38 ALA H . 15808 1 419 . 1 1 38 38 ALA HA H 1 3.634 0.003 . 1 . . . . 38 ALA HA . 15808 1 420 . 1 1 38 38 ALA HB1 H 1 0.293 0.004 . 1 . . . . 38 ALA HB1 . 15808 1 421 . 1 1 38 38 ALA HB2 H 1 0.293 0.004 . 1 . . . . 38 ALA HB2 . 15808 1 422 . 1 1 38 38 ALA HB3 H 1 0.293 0.004 . 1 . . . . 38 ALA HB3 . 15808 1 423 . 1 1 38 38 ALA C C 13 179.300 0.013 . 1 . . . . 38 ALA C . 15808 1 424 . 1 1 38 38 ALA CA C 13 56.401 0.056 . 1 . . . . 38 ALA CA . 15808 1 425 . 1 1 38 38 ALA CB C 13 17.342 0.018 . 1 . . . . 38 ALA CB . 15808 1 426 . 1 1 38 38 ALA N N 15 121.280 0.036 . 1 . . . . 38 ALA N . 15808 1 427 . 1 1 39 39 PHE H H 1 8.307 0.015 . 1 . . . . 39 PHE H . 15808 1 428 . 1 1 39 39 PHE HA H 1 4.476 0.006 . 1 . . . . 39 PHE HA . 15808 1 429 . 1 1 39 39 PHE HB2 H 1 2.981 0.007 . 2 . . . . 39 PHE HB2 . 15808 1 430 . 1 1 39 39 PHE HB3 H 1 3.295 0.004 . 2 . . . . 39 PHE HB3 . 15808 1 431 . 1 1 39 39 PHE HD1 H 1 7.399 0.003 . 3 . . . . 39 PHE HD1 . 15808 1 432 . 1 1 39 39 PHE HD2 H 1 7.399 0.003 . 3 . . . . 39 PHE HD2 . 15808 1 433 . 1 1 39 39 PHE HE1 H 1 7.215 0.003 . 3 . . . . 39 PHE HE1 . 15808 1 434 . 1 1 39 39 PHE HE2 H 1 7.215 0.003 . 3 . . . . 39 PHE HE2 . 15808 1 435 . 1 1 39 39 PHE HZ H 1 7.276 0.003 . 1 . . . . 39 PHE HZ . 15808 1 436 . 1 1 39 39 PHE C C 13 177.992 0.008 . 1 . . . . 39 PHE C . 15808 1 437 . 1 1 39 39 PHE CA C 13 63.107 0.055 . 1 . . . . 39 PHE CA . 15808 1 438 . 1 1 39 39 PHE CB C 13 41.055 0.056 . 1 . . . . 39 PHE CB . 15808 1 439 . 1 1 39 39 PHE N N 15 113.730 0.046 . 1 . . . . 39 PHE N . 15808 1 440 . 1 1 40 40 ASN H H 1 7.291 0.004 . 1 . . . . 40 ASN H . 15808 1 441 . 1 1 40 40 ASN HA H 1 4.354 0.006 . 1 . . . . 40 ASN HA . 15808 1 442 . 1 1 40 40 ASN HB2 H 1 2.446 0.005 . 2 . . . . 40 ASN HB2 . 15808 1 443 . 1 1 40 40 ASN HB3 H 1 2.922 0.004 . 2 . . . . 40 ASN HB3 . 15808 1 444 . 1 1 40 40 ASN HD21 H 1 7.419 0.005 . 1 . . . . 40 ASN HD21 . 15808 1 445 . 1 1 40 40 ASN HD22 H 1 7.748 0.012 . 1 . . . . 40 ASN HD22 . 15808 1 446 . 1 1 40 40 ASN C C 13 176.839 0.007 . 1 . . . . 40 ASN C . 15808 1 447 . 1 1 40 40 ASN CA C 13 58.370 0.083 . 1 . . . . 40 ASN CA . 15808 1 448 . 1 1 40 40 ASN CB C 13 41.545 0.032 . 1 . . . . 40 ASN CB . 15808 1 449 . 1 1 40 40 ASN N N 15 114.523 0.045 . 1 . . . . 40 ASN N . 15808 1 450 . 1 1 40 40 ASN ND2 N 15 114.621 0.037 . 1 . . . . 40 ASN ND2 . 15808 1 451 . 1 1 41 41 ALA H H 1 9.251 0.011 . 1 . . . . 41 ALA H . 15808 1 452 . 1 1 41 41 ALA HA H 1 3.045 0.006 . 1 . . . . 41 ALA HA . 15808 1 453 . 1 1 41 41 ALA HB1 H 1 0.530 0.004 . 1 . . . . 41 ALA HB1 . 15808 1 454 . 1 1 41 41 ALA HB2 H 1 0.530 0.004 . 1 . . . . 41 ALA HB2 . 15808 1 455 . 1 1 41 41 ALA HB3 H 1 0.530 0.004 . 1 . . . . 41 ALA HB3 . 15808 1 456 . 1 1 41 41 ALA C C 13 177.991 0.009 . 1 . . . . 41 ALA C . 15808 1 457 . 1 1 41 41 ALA CA C 13 55.569 0.087 . 1 . . . . 41 ALA CA . 15808 1 458 . 1 1 41 41 ALA CB C 13 17.630 0.004 . 1 . . . . 41 ALA CB . 15808 1 459 . 1 1 41 41 ALA N N 15 124.487 0.046 . 1 . . . . 41 ALA N . 15808 1 460 . 1 1 42 42 LEU H H 1 8.064 0.009 . 1 . . . . 42 LEU H . 15808 1 461 . 1 1 42 42 LEU HA H 1 3.722 0.006 . 1 . . . . 42 LEU HA . 15808 1 462 . 1 1 42 42 LEU HB2 H 1 1.783 0.006 . 2 . . . . 42 LEU HB2 . 15808 1 463 . 1 1 42 42 LEU HB3 H 1 2.064 0.005 . 2 . . . . 42 LEU HB3 . 15808 1 464 . 1 1 42 42 LEU HD11 H 1 1.011 0.006 . 2 . . . . 42 LEU HD11 . 15808 1 465 . 1 1 42 42 LEU HD12 H 1 1.011 0.006 . 2 . . . . 42 LEU HD12 . 15808 1 466 . 1 1 42 42 LEU HD13 H 1 1.011 0.006 . 2 . . . . 42 LEU HD13 . 15808 1 467 . 1 1 42 42 LEU HD21 H 1 1.163 0.005 . 2 . . . . 42 LEU HD21 . 15808 1 468 . 1 1 42 42 LEU HD22 H 1 1.163 0.005 . 2 . . . . 42 LEU HD22 . 15808 1 469 . 1 1 42 42 LEU HD23 H 1 1.163 0.005 . 2 . . . . 42 LEU HD23 . 15808 1 470 . 1 1 42 42 LEU HG H 1 1.987 0.004 . 1 . . . . 42 LEU HG . 15808 1 471 . 1 1 42 42 LEU C C 13 179.079 0.005 . 1 . . . . 42 LEU C . 15808 1 472 . 1 1 42 42 LEU CA C 13 58.062 0.053 . 1 . . . . 42 LEU CA . 15808 1 473 . 1 1 42 42 LEU CB C 13 43.669 0.015 . 1 . . . . 42 LEU CB . 15808 1 474 . 1 1 42 42 LEU CD1 C 13 24.850 0.080 . 2 . . . . 42 LEU CD1 . 15808 1 475 . 1 1 42 42 LEU CD2 C 13 25.558 0.063 . 2 . . . . 42 LEU CD2 . 15808 1 476 . 1 1 42 42 LEU CG C 13 27.277 0.065 . 1 . . . . 42 LEU CG . 15808 1 477 . 1 1 42 42 LEU N N 15 115.292 0.052 . 1 . . . . 42 LEU N . 15808 1 478 . 1 1 43 43 ILE H H 1 7.343 0.005 . 1 . . . . 43 ILE H . 15808 1 479 . 1 1 43 43 ILE HA H 1 3.959 0.003 . 1 . . . . 43 ILE HA . 15808 1 480 . 1 1 43 43 ILE HB H 1 2.039 0.005 . 1 . . . . 43 ILE HB . 15808 1 481 . 1 1 43 43 ILE HD11 H 1 1.090 0.004 . 1 . . . . 43 ILE HD11 . 15808 1 482 . 1 1 43 43 ILE HD12 H 1 1.090 0.004 . 1 . . . . 43 ILE HD12 . 15808 1 483 . 1 1 43 43 ILE HD13 H 1 1.090 0.004 . 1 . . . . 43 ILE HD13 . 15808 1 484 . 1 1 43 43 ILE HG12 H 1 1.009 0.005 . 2 . . . . 43 ILE HG12 . 15808 1 485 . 1 1 43 43 ILE HG13 H 1 2.408 0.006 . 2 . . . . 43 ILE HG13 . 15808 1 486 . 1 1 43 43 ILE HG21 H 1 1.214 0.004 . 1 . . . . 43 ILE HG21 . 15808 1 487 . 1 1 43 43 ILE HG22 H 1 1.214 0.004 . 1 . . . . 43 ILE HG22 . 15808 1 488 . 1 1 43 43 ILE HG23 H 1 1.214 0.004 . 1 . . . . 43 ILE HG23 . 15808 1 489 . 1 1 43 43 ILE C C 13 177.189 0.003 . 1 . . . . 43 ILE C . 15808 1 490 . 1 1 43 43 ILE CA C 13 66.091 0.073 . 1 . . . . 43 ILE CA . 15808 1 491 . 1 1 43 43 ILE CB C 13 39.186 0.040 . 1 . . . . 43 ILE CB . 15808 1 492 . 1 1 43 43 ILE CD1 C 13 18.457 0.001 . 1 . . . . 43 ILE CD1 . 15808 1 493 . 1 1 43 43 ILE CG1 C 13 29.211 0.001 . 1 . . . . 43 ILE CG1 . 15808 1 494 . 1 1 43 43 ILE CG2 C 13 14.473 0.001 . 1 . . . . 43 ILE CG2 . 15808 1 495 . 1 1 43 43 ILE N N 15 115.961 0.063 . 1 . . . . 43 ILE N . 15808 1 496 . 1 1 44 44 HIS H H 1 8.957 0.008 . 1 . . . . 44 HIS H . 15808 1 497 . 1 1 44 44 HIS HA H 1 3.712 0.006 . 1 . . . . 44 HIS HA . 15808 1 498 . 1 1 44 44 HIS HB2 H 1 2.970 0.006 . 1 . . . . 44 HIS HB2 . 15808 1 499 . 1 1 44 44 HIS HD2 H 1 8.174 0.005 . 1 . . . . 44 HIS HD2 . 15808 1 500 . 1 1 44 44 HIS HE1 H 1 7.709 0.007 . 1 . . . . 44 HIS HE1 . 15808 1 501 . 1 1 44 44 HIS C C 13 175.470 0.008 . 1 . . . . 44 HIS C . 15808 1 502 . 1 1 44 44 HIS CA C 13 61.184 0.059 . 1 . . . . 44 HIS CA . 15808 1 503 . 1 1 44 44 HIS CB C 13 31.577 0.079 . 1 . . . . 44 HIS CB . 15808 1 504 . 1 1 44 44 HIS N N 15 122.631 0.065 . 1 . . . . 44 HIS N . 15808 1 505 . 1 1 45 45 ARG H H 1 8.459 0.011 . 1 . . . . 45 ARG H . 15808 1 506 . 1 1 45 45 ARG HA H 1 3.927 0.004 . 1 . . . . 45 ARG HA . 15808 1 507 . 1 1 45 45 ARG HB2 H 1 1.394 0.008 . 2 . . . . 45 ARG HB2 . 15808 1 508 . 1 1 45 45 ARG HB3 H 1 2.113 0.010 . 2 . . . . 45 ARG HB3 . 15808 1 509 . 1 1 45 45 ARG HD2 H 1 3.118 0.005 . 2 . . . . 45 ARG HD2 . 15808 1 510 . 1 1 45 45 ARG HD3 H 1 3.403 0.005 . 2 . . . . 45 ARG HD3 . 15808 1 511 . 1 1 45 45 ARG HG2 H 1 0.771 0.007 . 2 . . . . 45 ARG HG2 . 15808 1 512 . 1 1 45 45 ARG HG3 H 1 1.631 0.007 . 2 . . . . 45 ARG HG3 . 15808 1 513 . 1 1 45 45 ARG C C 13 176.366 0.008 . 1 . . . . 45 ARG C . 15808 1 514 . 1 1 45 45 ARG CA C 13 56.495 0.052 . 1 . . . . 45 ARG CA . 15808 1 515 . 1 1 45 45 ARG CB C 13 29.437 0.023 . 1 . . . . 45 ARG CB . 15808 1 516 . 1 1 45 45 ARG CD C 13 42.383 0.043 . 1 . . . . 45 ARG CD . 15808 1 517 . 1 1 45 45 ARG CG C 13 26.750 0.056 . 1 . . . . 45 ARG CG . 15808 1 518 . 1 1 45 45 ARG N N 15 116.258 0.041 . 1 . . . . 45 ARG N . 15808 1 519 . 1 1 46 46 HIS H H 1 7.005 0.003 . 1 . . . . 46 HIS H . 15808 1 520 . 1 1 46 46 HIS HA H 1 4.313 0.004 . 1 . . . . 46 HIS HA . 15808 1 521 . 1 1 46 46 HIS HB2 H 1 1.835 0.009 . 2 . . . . 46 HIS HB2 . 15808 1 522 . 1 1 46 46 HIS HB3 H 1 2.899 0.008 . 2 . . . . 46 HIS HB3 . 15808 1 523 . 1 1 46 46 HIS HD2 H 1 6.938 0.010 . 1 . . . . 46 HIS HD2 . 15808 1 524 . 1 1 46 46 HIS HE1 H 1 7.094 0.001 . 1 . . . . 46 HIS HE1 . 15808 1 525 . 1 1 46 46 HIS C C 13 175.151 0.012 . 1 . . . . 46 HIS C . 15808 1 526 . 1 1 46 46 HIS CA C 13 59.062 0.042 . 1 . . . . 46 HIS CA . 15808 1 527 . 1 1 46 46 HIS CB C 13 31.332 0.069 . 1 . . . . 46 HIS CB . 15808 1 528 . 1 1 46 46 HIS N N 15 113.598 0.033 . 1 . . . . 46 HIS N . 15808 1 529 . 1 1 47 47 ARG H H 1 8.712 0.007 . 1 . . . . 47 ARG H . 15808 1 530 . 1 1 47 47 ARG HA H 1 4.876 0.007 . 1 . . . . 47 ARG HA . 15808 1 531 . 1 1 47 47 ARG HB2 H 1 1.725 0.004 . 1 . . . . 47 ARG HB2 . 15808 1 532 . 1 1 47 47 ARG HD2 H 1 3.456 0.002 . 1 . . . . 47 ARG HD2 . 15808 1 533 . 1 1 47 47 ARG HG2 H 1 1.454 0.005 . 2 . . . . 47 ARG HG2 . 15808 1 534 . 1 1 47 47 ARG HG3 H 1 1.751 0.005 . 2 . . . . 47 ARG HG3 . 15808 1 535 . 1 1 47 47 ARG C C 13 172.478 0.001 . 1 . . . . 47 ARG C . 15808 1 536 . 1 1 47 47 ARG CA C 13 51.513 0.017 . 1 . . . . 47 ARG CA . 15808 1 537 . 1 1 47 47 ARG CB C 13 30.200 0.020 . 1 . . . . 47 ARG CB . 15808 1 538 . 1 1 47 47 ARG CD C 13 41.081 0.012 . 1 . . . . 47 ARG CD . 15808 1 539 . 1 1 47 47 ARG CG C 13 25.808 0.079 . 1 . . . . 47 ARG CG . 15808 1 540 . 1 1 47 47 ARG N N 15 119.617 0.054 . 1 . . . . 47 ARG N . 15808 1 541 . 1 1 48 48 PRO HA H 1 4.104 0.006 . 1 . . . . 48 PRO HA . 15808 1 542 . 1 1 48 48 PRO HB2 H 1 1.581 0.006 . 2 . . . . 48 PRO HB2 . 15808 1 543 . 1 1 48 48 PRO HB3 H 1 1.774 0.004 . 2 . . . . 48 PRO HB3 . 15808 1 544 . 1 1 48 48 PRO HD2 H 1 3.108 0.007 . 2 . . . . 48 PRO HD2 . 15808 1 545 . 1 1 48 48 PRO HD3 H 1 3.678 0.005 . 2 . . . . 48 PRO HD3 . 15808 1 546 . 1 1 48 48 PRO HG2 H 1 1.862 0.005 . 2 . . . . 48 PRO HG2 . 15808 1 547 . 1 1 48 48 PRO HG3 H 1 1.922 0.005 . 2 . . . . 48 PRO HG3 . 15808 1 548 . 1 1 48 48 PRO C C 13 177.723 0.001 . 1 . . . . 48 PRO C . 15808 1 549 . 1 1 48 48 PRO CA C 13 65.266 0.181 . 1 . . . . 48 PRO CA . 15808 1 550 . 1 1 48 48 PRO CB C 13 31.027 0.025 . 1 . . . . 48 PRO CB . 15808 1 551 . 1 1 48 48 PRO CD C 13 50.212 0.117 . 1 . . . . 48 PRO CD . 15808 1 552 . 1 1 48 48 PRO CG C 13 27.259 0.040 . 1 . . . . 48 PRO CG . 15808 1 553 . 1 1 49 49 GLU H H 1 9.881 0.004 . 1 . . . . 49 GLU H . 15808 1 554 . 1 1 49 49 GLU HA H 1 4.299 0.006 . 1 . . . . 49 GLU HA . 15808 1 555 . 1 1 49 49 GLU HB2 H 1 2.027 0.009 . 1 . . . . 49 GLU HB2 . 15808 1 556 . 1 1 49 49 GLU HG2 H 1 2.458 0.010 . 1 . . . . 49 GLU HG2 . 15808 1 557 . 1 1 49 49 GLU C C 13 177.596 0.011 . 1 . . . . 49 GLU C . 15808 1 558 . 1 1 49 49 GLU CA C 13 57.605 0.043 . 1 . . . . 49 GLU CA . 15808 1 559 . 1 1 49 49 GLU CB C 13 27.740 0.087 . 1 . . . . 49 GLU CB . 15808 1 560 . 1 1 49 49 GLU CG C 13 35.533 0.001 . 1 . . . . 49 GLU CG . 15808 1 561 . 1 1 49 49 GLU N N 15 118.244 0.033 . 1 . . . . 49 GLU N . 15808 1 562 . 1 1 50 50 LEU H H 1 7.912 0.009 . 1 . . . . 50 LEU H . 15808 1 563 . 1 1 50 50 LEU HA H 1 4.239 0.007 . 1 . . . . 50 LEU HA . 15808 1 564 . 1 1 50 50 LEU HB2 H 1 1.461 0.005 . 2 . . . . 50 LEU HB2 . 15808 1 565 . 1 1 50 50 LEU HB3 H 1 1.851 0.003 . 2 . . . . 50 LEU HB3 . 15808 1 566 . 1 1 50 50 LEU HD11 H 1 0.193 0.006 . 2 . . . . 50 LEU HD11 . 15808 1 567 . 1 1 50 50 LEU HD12 H 1 0.193 0.006 . 2 . . . . 50 LEU HD12 . 15808 1 568 . 1 1 50 50 LEU HD13 H 1 0.193 0.006 . 2 . . . . 50 LEU HD13 . 15808 1 569 . 1 1 50 50 LEU HD21 H 1 0.620 0.008 . 2 . . . . 50 LEU HD21 . 15808 1 570 . 1 1 50 50 LEU HD22 H 1 0.620 0.008 . 2 . . . . 50 LEU HD22 . 15808 1 571 . 1 1 50 50 LEU HD23 H 1 0.620 0.008 . 2 . . . . 50 LEU HD23 . 15808 1 572 . 1 1 50 50 LEU HG H 1 1.423 0.005 . 1 . . . . 50 LEU HG . 15808 1 573 . 1 1 50 50 LEU C C 13 176.547 0.007 . 1 . . . . 50 LEU C . 15808 1 574 . 1 1 50 50 LEU CA C 13 55.336 0.063 . 1 . . . . 50 LEU CA . 15808 1 575 . 1 1 50 50 LEU CB C 13 43.354 0.026 . 1 . . . . 50 LEU CB . 15808 1 576 . 1 1 50 50 LEU CD1 C 13 20.716 0.049 . 2 . . . . 50 LEU CD1 . 15808 1 577 . 1 1 50 50 LEU CD2 C 13 25.511 0.033 . 2 . . . . 50 LEU CD2 . 15808 1 578 . 1 1 50 50 LEU CG C 13 26.781 0.018 . 1 . . . . 50 LEU CG . 15808 1 579 . 1 1 50 50 LEU N N 15 118.297 0.024 . 1 . . . . 50 LEU N . 15808 1 580 . 1 1 51 51 ILE H H 1 7.111 0.003 . 1 . . . . 51 ILE H . 15808 1 581 . 1 1 51 51 ILE HA H 1 4.565 0.006 . 1 . . . . 51 ILE HA . 15808 1 582 . 1 1 51 51 ILE HB H 1 2.087 0.004 . 1 . . . . 51 ILE HB . 15808 1 583 . 1 1 51 51 ILE HD11 H 1 1.139 0.004 . 1 . . . . 51 ILE HD11 . 15808 1 584 . 1 1 51 51 ILE HD12 H 1 1.139 0.004 . 1 . . . . 51 ILE HD12 . 15808 1 585 . 1 1 51 51 ILE HD13 H 1 1.139 0.004 . 1 . . . . 51 ILE HD13 . 15808 1 586 . 1 1 51 51 ILE HG12 H 1 1.499 0.005 . 2 . . . . 51 ILE HG12 . 15808 1 587 . 1 1 51 51 ILE HG13 H 1 1.685 0.006 . 2 . . . . 51 ILE HG13 . 15808 1 588 . 1 1 51 51 ILE HG21 H 1 0.997 0.006 . 1 . . . . 51 ILE HG21 . 15808 1 589 . 1 1 51 51 ILE HG22 H 1 0.997 0.006 . 1 . . . . 51 ILE HG22 . 15808 1 590 . 1 1 51 51 ILE HG23 H 1 0.997 0.006 . 1 . . . . 51 ILE HG23 . 15808 1 591 . 1 1 51 51 ILE C C 13 175.008 0.001 . 1 . . . . 51 ILE C . 15808 1 592 . 1 1 51 51 ILE CA C 13 57.450 0.073 . 1 . . . . 51 ILE CA . 15808 1 593 . 1 1 51 51 ILE CB C 13 42.181 0.039 . 1 . . . . 51 ILE CB . 15808 1 594 . 1 1 51 51 ILE CD1 C 13 16.408 0.001 . 1 . . . . 51 ILE CD1 . 15808 1 595 . 1 1 51 51 ILE CG1 C 13 26.042 0.042 . 1 . . . . 51 ILE CG1 . 15808 1 596 . 1 1 51 51 ILE CG2 C 13 10.935 0.033 . 1 . . . . 51 ILE CG2 . 15808 1 597 . 1 1 51 51 ILE N N 15 115.821 0.062 . 1 . . . . 51 ILE N . 15808 1 598 . 1 1 52 52 GLU H H 1 8.997 0.016 . 1 . . . . 52 GLU H . 15808 1 599 . 1 1 52 52 GLU HA H 1 4.748 0.011 . 1 . . . . 52 GLU HA . 15808 1 600 . 1 1 52 52 GLU HB2 H 1 1.998 0.006 . 1 . . . . 52 GLU HB2 . 15808 1 601 . 1 1 52 52 GLU HG2 H 1 2.195 0.007 . 2 . . . . 52 GLU HG2 . 15808 1 602 . 1 1 52 52 GLU HG3 H 1 2.333 0.007 . 2 . . . . 52 GLU HG3 . 15808 1 603 . 1 1 52 52 GLU C C 13 176.930 0.001 . 1 . . . . 52 GLU C . 15808 1 604 . 1 1 52 52 GLU CA C 13 54.388 0.065 . 1 . . . . 52 GLU CA . 15808 1 605 . 1 1 52 52 GLU CB C 13 27.771 0.079 . 1 . . . . 52 GLU CB . 15808 1 606 . 1 1 52 52 GLU CG C 13 36.549 0.041 . 1 . . . . 52 GLU CG . 15808 1 607 . 1 1 52 52 GLU N N 15 128.940 0.027 . 1 . . . . 52 GLU N . 15808 1 608 . 1 1 53 53 TYR H H 1 7.451 0.008 . 1 . . . . 53 TYR H . 15808 1 609 . 1 1 53 53 TYR HA H 1 3.368 0.004 . 1 . . . . 53 TYR HA . 15808 1 610 . 1 1 53 53 TYR HB2 H 1 2.155 0.007 . 2 . . . . 53 TYR HB2 . 15808 1 611 . 1 1 53 53 TYR HB3 H 1 2.386 0.005 . 2 . . . . 53 TYR HB3 . 15808 1 612 . 1 1 53 53 TYR HD1 H 1 6.548 0.002 . 3 . . . . 53 TYR HD1 . 15808 1 613 . 1 1 53 53 TYR HD2 H 1 6.548 0.002 . 3 . . . . 53 TYR HD2 . 15808 1 614 . 1 1 53 53 TYR HE1 H 1 6.668 0.005 . 3 . . . . 53 TYR HE1 . 15808 1 615 . 1 1 53 53 TYR HE2 H 1 6.668 0.005 . 3 . . . . 53 TYR HE2 . 15808 1 616 . 1 1 53 53 TYR C C 13 177.096 0.017 . 1 . . . . 53 TYR C . 15808 1 617 . 1 1 53 53 TYR CA C 13 63.282 0.077 . 1 . . . . 53 TYR CA . 15808 1 618 . 1 1 53 53 TYR CB C 13 38.893 0.056 . 1 . . . . 53 TYR CB . 15808 1 619 . 1 1 53 53 TYR N N 15 124.049 0.054 . 1 . . . . 53 TYR N . 15808 1 620 . 1 1 54 54 ASP H H 1 8.592 0.008 . 1 . . . . 54 ASP H . 15808 1 621 . 1 1 54 54 ASP HA H 1 4.290 0.007 . 1 . . . . 54 ASP HA . 15808 1 622 . 1 1 54 54 ASP HB2 H 1 2.652 0.010 . 2 . . . . 54 ASP HB2 . 15808 1 623 . 1 1 54 54 ASP HB3 H 1 2.731 0.006 . 2 . . . . 54 ASP HB3 . 15808 1 624 . 1 1 54 54 ASP C C 13 176.592 0.026 . 1 . . . . 54 ASP C . 15808 1 625 . 1 1 54 54 ASP CA C 13 56.088 0.049 . 1 . . . . 54 ASP CA . 15808 1 626 . 1 1 54 54 ASP CB C 13 40.409 0.060 . 1 . . . . 54 ASP CB . 15808 1 627 . 1 1 54 54 ASP N N 15 114.420 0.029 . 1 . . . . 54 ASP N . 15808 1 628 . 1 1 55 55 LYS H H 1 7.246 0.004 . 1 . . . . 55 LYS H . 15808 1 629 . 1 1 55 55 LYS HA H 1 4.217 0.005 . 1 . . . . 55 LYS HA . 15808 1 630 . 1 1 55 55 LYS HB2 H 1 1.747 0.004 . 2 . . . . 55 LYS HB2 . 15808 1 631 . 1 1 55 55 LYS HB3 H 1 1.933 0.003 . 2 . . . . 55 LYS HB3 . 15808 1 632 . 1 1 55 55 LYS HD2 H 1 1.432 0.003 . 1 . . . . 55 LYS HD2 . 15808 1 633 . 1 1 55 55 LYS HE2 H 1 2.958 0.001 . 1 . . . . 55 LYS HE2 . 15808 1 634 . 1 1 55 55 LYS HG2 H 1 1.361 0.007 . 1 . . . . 55 LYS HG2 . 15808 1 635 . 1 1 55 55 LYS C C 13 177.121 0.006 . 1 . . . . 55 LYS C . 15808 1 636 . 1 1 55 55 LYS CA C 13 56.346 0.095 . 1 . . . . 55 LYS CA . 15808 1 637 . 1 1 55 55 LYS CB C 13 33.498 0.047 . 1 . . . . 55 LYS CB . 15808 1 638 . 1 1 55 55 LYS CE C 13 42.346 0.001 . 1 . . . . 55 LYS CE . 15808 1 639 . 1 1 55 55 LYS CG C 13 25.469 0.001 . 1 . . . . 55 LYS CG . 15808 1 640 . 1 1 55 55 LYS N N 15 116.339 0.051 . 1 . . . . 55 LYS N . 15808 1 641 . 1 1 56 56 LEU H H 1 7.158 0.006 . 1 . . . . 56 LEU H . 15808 1 642 . 1 1 56 56 LEU HA H 1 4.255 0.005 . 1 . . . . 56 LEU HA . 15808 1 643 . 1 1 56 56 LEU HB2 H 1 0.932 0.008 . 2 . . . . 56 LEU HB2 . 15808 1 644 . 1 1 56 56 LEU HB3 H 1 1.167 0.006 . 2 . . . . 56 LEU HB3 . 15808 1 645 . 1 1 56 56 LEU HD11 H 1 0.488 0.004 . 2 . . . . 56 LEU HD11 . 15808 1 646 . 1 1 56 56 LEU HD12 H 1 0.488 0.004 . 2 . . . . 56 LEU HD12 . 15808 1 647 . 1 1 56 56 LEU HD13 H 1 0.488 0.004 . 2 . . . . 56 LEU HD13 . 15808 1 648 . 1 1 56 56 LEU HD21 H 1 0.668 0.004 . 2 . . . . 56 LEU HD21 . 15808 1 649 . 1 1 56 56 LEU HD22 H 1 0.668 0.004 . 2 . . . . 56 LEU HD22 . 15808 1 650 . 1 1 56 56 LEU HD23 H 1 0.668 0.004 . 2 . . . . 56 LEU HD23 . 15808 1 651 . 1 1 56 56 LEU HG H 1 1.486 0.006 . 1 . . . . 56 LEU HG . 15808 1 652 . 1 1 56 56 LEU C C 13 177.435 0.004 . 1 . . . . 56 LEU C . 15808 1 653 . 1 1 56 56 LEU CA C 13 55.036 0.026 . 1 . . . . 56 LEU CA . 15808 1 654 . 1 1 56 56 LEU CB C 13 40.965 0.039 . 1 . . . . 56 LEU CB . 15808 1 655 . 1 1 56 56 LEU CD1 C 13 26.569 0.001 . 2 . . . . 56 LEU CD1 . 15808 1 656 . 1 1 56 56 LEU CD2 C 13 20.944 0.008 . 2 . . . . 56 LEU CD2 . 15808 1 657 . 1 1 56 56 LEU CG C 13 26.143 0.043 . 1 . . . . 56 LEU CG . 15808 1 658 . 1 1 56 56 LEU N N 15 119.889 0.049 . 1 . . . . 56 LEU N . 15808 1 659 . 1 1 57 57 ARG H H 1 8.984 0.006 . 1 . . . . 57 ARG H . 15808 1 660 . 1 1 57 57 ARG HA H 1 4.576 0.007 . 1 . . . . 57 ARG HA . 15808 1 661 . 1 1 57 57 ARG HB2 H 1 1.820 0.007 . 2 . . . . 57 ARG HB2 . 15808 1 662 . 1 1 57 57 ARG HB3 H 1 1.983 0.006 . 2 . . . . 57 ARG HB3 . 15808 1 663 . 1 1 57 57 ARG HD2 H 1 3.274 0.005 . 1 . . . . 57 ARG HD2 . 15808 1 664 . 1 1 57 57 ARG HG2 H 1 1.593 0.006 . 2 . . . . 57 ARG HG2 . 15808 1 665 . 1 1 57 57 ARG HG3 H 1 1.708 0.006 . 2 . . . . 57 ARG HG3 . 15808 1 666 . 1 1 57 57 ARG C C 13 177.587 0.001 . 1 . . . . 57 ARG C . 15808 1 667 . 1 1 57 57 ARG CA C 13 54.639 0.063 . 1 . . . . 57 ARG CA . 15808 1 668 . 1 1 57 57 ARG CB C 13 33.140 0.028 . 1 . . . . 57 ARG CB . 15808 1 669 . 1 1 57 57 ARG CD C 13 43.607 0.048 . 1 . . . . 57 ARG CD . 15808 1 670 . 1 1 57 57 ARG CG C 13 27.170 0.045 . 1 . . . . 57 ARG CG . 15808 1 671 . 1 1 57 57 ARG N N 15 122.683 0.025 . 1 . . . . 57 ARG N . 15808 1 672 . 1 1 58 58 LYS HA H 1 3.674 0.003 . 1 . . . . 58 LYS HA . 15808 1 673 . 1 1 58 58 LYS HB2 H 1 1.814 0.005 . 1 . . . . 58 LYS HB2 . 15808 1 674 . 1 1 58 58 LYS HD2 H 1 1.675 0.005 . 1 . . . . 58 LYS HD2 . 15808 1 675 . 1 1 58 58 LYS HE2 H 1 3.022 0.004 . 1 . . . . 58 LYS HE2 . 15808 1 676 . 1 1 58 58 LYS HG2 H 1 1.460 0.008 . 1 . . . . 58 LYS HG2 . 15808 1 677 . 1 1 58 58 LYS C C 13 175.251 0.021 . 1 . . . . 58 LYS C . 15808 1 678 . 1 1 58 58 LYS CA C 13 59.429 0.064 . 1 . . . . 58 LYS CA . 15808 1 679 . 1 1 58 58 LYS CB C 13 33.016 0.034 . 1 . . . . 58 LYS CB . 15808 1 680 . 1 1 58 58 LYS CD C 13 29.072 0.001 . 1 . . . . 58 LYS CD . 15808 1 681 . 1 1 58 58 LYS CE C 13 42.182 0.017 . 1 . . . . 58 LYS CE . 15808 1 682 . 1 1 58 58 LYS CG C 13 24.789 0.054 . 1 . . . . 58 LYS CG . 15808 1 683 . 1 1 59 59 ASP H H 1 7.957 0.004 . 1 . . . . 59 ASP H . 15808 1 684 . 1 1 59 59 ASP HA H 1 4.543 0.006 . 1 . . . . 59 ASP HA . 15808 1 685 . 1 1 59 59 ASP HB2 H 1 2.674 0.005 . 2 . . . . 59 ASP HB2 . 15808 1 686 . 1 1 59 59 ASP HB3 H 1 2.885 0.008 . 2 . . . . 59 ASP HB3 . 15808 1 687 . 1 1 59 59 ASP C C 13 174.585 0.010 . 1 . . . . 59 ASP C . 15808 1 688 . 1 1 59 59 ASP CA C 13 53.574 0.023 . 1 . . . . 59 ASP CA . 15808 1 689 . 1 1 59 59 ASP CB C 13 40.148 0.033 . 1 . . . . 59 ASP CB . 15808 1 690 . 1 1 59 59 ASP N N 15 112.331 0.059 . 1 . . . . 59 ASP N . 15808 1 691 . 1 1 60 60 ASP H H 1 7.230 0.007 . 1 . . . . 60 ASP H . 15808 1 692 . 1 1 60 60 ASP HA H 1 5.231 0.004 . 1 . . . . 60 ASP HA . 15808 1 693 . 1 1 60 60 ASP HB2 H 1 2.319 0.008 . 2 . . . . 60 ASP HB2 . 15808 1 694 . 1 1 60 60 ASP HB3 H 1 3.128 0.006 . 2 . . . . 60 ASP HB3 . 15808 1 695 . 1 1 60 60 ASP CA C 13 51.591 0.032 . 1 . . . . 60 ASP CA . 15808 1 696 . 1 1 60 60 ASP CB C 13 41.297 0.046 . 1 . . . . 60 ASP CB . 15808 1 697 . 1 1 60 60 ASP N N 15 118.085 0.039 . 1 . . . . 60 ASP N . 15808 1 698 . 1 1 61 61 PRO HA H 1 4.383 0.007 . 1 . . . . 61 PRO HA . 15808 1 699 . 1 1 61 61 PRO HB2 H 1 2.143 0.004 . 2 . . . . 61 PRO HB2 . 15808 1 700 . 1 1 61 61 PRO HB3 H 1 2.380 0.006 . 2 . . . . 61 PRO HB3 . 15808 1 701 . 1 1 61 61 PRO HD2 H 1 3.494 0.008 . 2 . . . . 61 PRO HD2 . 15808 1 702 . 1 1 61 61 PRO HD3 H 1 3.866 0.006 . 2 . . . . 61 PRO HD3 . 15808 1 703 . 1 1 61 61 PRO C C 13 178.604 0.007 . 1 . . . . 61 PRO C . 15808 1 704 . 1 1 61 61 PRO CA C 13 65.708 0.054 . 1 . . . . 61 PRO CA . 15808 1 705 . 1 1 61 61 PRO CB C 13 33.320 0.049 . 1 . . . . 61 PRO CB . 15808 1 706 . 1 1 61 61 PRO CD C 13 50.929 0.039 . 1 . . . . 61 PRO CD . 15808 1 707 . 1 1 62 62 VAL H H 1 8.332 0.006 . 1 . . . . 62 VAL H . 15808 1 708 . 1 1 62 62 VAL HA H 1 3.444 0.005 . 1 . . . . 62 VAL HA . 15808 1 709 . 1 1 62 62 VAL HB H 1 2.128 0.005 . 1 . . . . 62 VAL HB . 15808 1 710 . 1 1 62 62 VAL HG11 H 1 0.917 0.004 . 2 . . . . 62 VAL HG11 . 15808 1 711 . 1 1 62 62 VAL HG12 H 1 0.917 0.004 . 2 . . . . 62 VAL HG12 . 15808 1 712 . 1 1 62 62 VAL HG13 H 1 0.917 0.004 . 2 . . . . 62 VAL HG13 . 15808 1 713 . 1 1 62 62 VAL HG21 H 1 1.048 0.004 . 2 . . . . 62 VAL HG21 . 15808 1 714 . 1 1 62 62 VAL HG22 H 1 1.048 0.004 . 2 . . . . 62 VAL HG22 . 15808 1 715 . 1 1 62 62 VAL HG23 H 1 1.048 0.004 . 2 . . . . 62 VAL HG23 . 15808 1 716 . 1 1 62 62 VAL C C 13 177.990 0.004 . 1 . . . . 62 VAL C . 15808 1 717 . 1 1 62 62 VAL CA C 13 68.073 0.108 . 1 . . . . 62 VAL CA . 15808 1 718 . 1 1 62 62 VAL CB C 13 31.637 0.049 . 1 . . . . 62 VAL CB . 15808 1 719 . 1 1 62 62 VAL CG1 C 13 21.570 0.041 . 2 . . . . 62 VAL CG1 . 15808 1 720 . 1 1 62 62 VAL CG2 C 13 24.150 0.056 . 2 . . . . 62 VAL CG2 . 15808 1 721 . 1 1 62 62 VAL N N 15 118.981 0.064 . 1 . . . . 62 VAL N . 15808 1 722 . 1 1 63 63 THR H H 1 7.007 0.004 . 1 . . . . 63 THR H . 15808 1 723 . 1 1 63 63 THR HA H 1 3.896 0.005 . 1 . . . . 63 THR HA . 15808 1 724 . 1 1 63 63 THR HB H 1 3.943 0.002 . 1 . . . . 63 THR HB . 15808 1 725 . 1 1 63 63 THR HG21 H 1 1.187 0.004 . 1 . . . . 63 THR HG1 . 15808 1 726 . 1 1 63 63 THR HG22 H 1 1.187 0.004 . 1 . . . . 63 THR HG1 . 15808 1 727 . 1 1 63 63 THR HG23 H 1 1.187 0.004 . 1 . . . . 63 THR HG1 . 15808 1 728 . 1 1 63 63 THR C C 13 177.115 0.005 . 1 . . . . 63 THR C . 15808 1 729 . 1 1 63 63 THR CA C 13 65.774 0.098 . 1 . . . . 63 THR CA . 15808 1 730 . 1 1 63 63 THR CB C 13 68.098 0.005 . 1 . . . . 63 THR CB . 15808 1 731 . 1 1 63 63 THR CG2 C 13 22.049 0.014 . 1 . . . . 63 THR CG2 . 15808 1 732 . 1 1 63 63 THR N N 15 116.280 0.043 . 1 . . . . 63 THR N . 15808 1 733 . 1 1 64 64 ASN H H 1 7.707 0.006 . 1 . . . . 64 ASN H . 15808 1 734 . 1 1 64 64 ASN HA H 1 4.174 0.007 . 1 . . . . 64 ASN HA . 15808 1 735 . 1 1 64 64 ASN HB2 H 1 2.327 0.007 . 2 . . . . 64 ASN HB2 . 15808 1 736 . 1 1 64 64 ASN HB3 H 1 3.325 0.007 . 2 . . . . 64 ASN HB3 . 15808 1 737 . 1 1 64 64 ASN HD21 H 1 7.116 0.003 . 1 . . . . 64 ASN HD21 . 15808 1 738 . 1 1 64 64 ASN HD22 H 1 7.440 0.007 . 1 . . . . 64 ASN HD22 . 15808 1 739 . 1 1 64 64 ASN C C 13 178.747 0.012 . 1 . . . . 64 ASN C . 15808 1 740 . 1 1 64 64 ASN CA C 13 56.594 0.060 . 1 . . . . 64 ASN CA . 15808 1 741 . 1 1 64 64 ASN CB C 13 38.326 0.051 . 1 . . . . 64 ASN CB . 15808 1 742 . 1 1 64 64 ASN N N 15 120.452 0.057 . 1 . . . . 64 ASN N . 15808 1 743 . 1 1 64 64 ASN ND2 N 15 108.246 0.001 . 1 . . . . 64 ASN ND2 . 15808 1 744 . 1 1 65 65 LEU H H 1 8.933 0.010 . 1 . . . . 65 LEU H . 15808 1 745 . 1 1 65 65 LEU HA H 1 3.483 0.007 . 1 . . . . 65 LEU HA . 15808 1 746 . 1 1 65 65 LEU HB2 H 1 0.841 0.005 . 2 . . . . 65 LEU HB2 . 15808 1 747 . 1 1 65 65 LEU HB3 H 1 1.812 0.007 . 2 . . . . 65 LEU HB3 . 15808 1 748 . 1 1 65 65 LEU HD11 H 1 1.081 0.006 . 2 . . . . 65 LEU HD11 . 15808 1 749 . 1 1 65 65 LEU HD12 H 1 1.081 0.006 . 2 . . . . 65 LEU HD12 . 15808 1 750 . 1 1 65 65 LEU HD13 H 1 1.081 0.006 . 2 . . . . 65 LEU HD13 . 15808 1 751 . 1 1 65 65 LEU HD21 H 1 1.303 0.004 . 2 . . . . 65 LEU HD21 . 15808 1 752 . 1 1 65 65 LEU HD22 H 1 1.303 0.004 . 2 . . . . 65 LEU HD22 . 15808 1 753 . 1 1 65 65 LEU HD23 H 1 1.303 0.004 . 2 . . . . 65 LEU HD23 . 15808 1 754 . 1 1 65 65 LEU HG H 1 1.676 0.005 . 1 . . . . 65 LEU HG . 15808 1 755 . 1 1 65 65 LEU C C 13 175.887 0.007 . 1 . . . . 65 LEU C . 15808 1 756 . 1 1 65 65 LEU CA C 13 58.349 0.021 . 1 . . . . 65 LEU CA . 15808 1 757 . 1 1 65 65 LEU CB C 13 42.874 0.025 . 1 . . . . 65 LEU CB . 15808 1 758 . 1 1 65 65 LEU CD1 C 13 27.433 0.033 . 2 . . . . 65 LEU CD1 . 15808 1 759 . 1 1 65 65 LEU CD2 C 13 24.929 0.064 . 2 . . . . 65 LEU CD2 . 15808 1 760 . 1 1 65 65 LEU CG C 13 28.006 0.031 . 1 . . . . 65 LEU CG . 15808 1 761 . 1 1 65 65 LEU N N 15 123.203 0.038 . 1 . . . . 65 LEU N . 15808 1 762 . 1 1 66 66 ASN H H 1 8.070 0.004 . 1 . . . . 66 ASN H . 15808 1 763 . 1 1 66 66 ASN HA H 1 4.353 0.007 . 1 . . . . 66 ASN HA . 15808 1 764 . 1 1 66 66 ASN HB2 H 1 2.810 0.010 . 1 . . . . 66 ASN HB2 . 15808 1 765 . 1 1 66 66 ASN HD21 H 1 7.375 0.002 . 1 . . . . 66 ASN HD21 . 15808 1 766 . 1 1 66 66 ASN HD22 H 1 7.418 0.015 . 1 . . . . 66 ASN HD22 . 15808 1 767 . 1 1 66 66 ASN C C 13 177.971 0.026 . 1 . . . . 66 ASN C . 15808 1 768 . 1 1 66 66 ASN CA C 13 56.613 0.057 . 1 . . . . 66 ASN CA . 15808 1 769 . 1 1 66 66 ASN CB C 13 38.080 0.061 . 1 . . . . 66 ASN CB . 15808 1 770 . 1 1 66 66 ASN N N 15 113.739 0.047 . 1 . . . . 66 ASN N . 15808 1 771 . 1 1 66 66 ASN ND2 N 15 114.085 0.036 . 1 . . . . 66 ASN ND2 . 15808 1 772 . 1 1 67 67 ASN H H 1 8.404 0.003 . 1 . . . . 67 ASN H . 15808 1 773 . 1 1 67 67 ASN HA H 1 4.463 0.006 . 1 . . . . 67 ASN HA . 15808 1 774 . 1 1 67 67 ASN HB2 H 1 2.883 0.006 . 2 . . . . 67 ASN HB2 . 15808 1 775 . 1 1 67 67 ASN HB3 H 1 3.014 0.006 . 2 . . . . 67 ASN HB3 . 15808 1 776 . 1 1 67 67 ASN HD21 H 1 7.078 0.018 . 1 . . . . 67 ASN HD21 . 15808 1 777 . 1 1 67 67 ASN HD22 H 1 8.029 0.013 . 1 . . . . 67 ASN HD22 . 15808 1 778 . 1 1 67 67 ASN C C 13 176.553 0.006 . 1 . . . . 67 ASN C . 15808 1 779 . 1 1 67 67 ASN CA C 13 58.010 0.047 . 1 . . . . 67 ASN CA . 15808 1 780 . 1 1 67 67 ASN CB C 13 40.411 0.027 . 1 . . . . 67 ASN CB . 15808 1 781 . 1 1 67 67 ASN N N 15 117.808 0.057 . 1 . . . . 67 ASN N . 15808 1 782 . 1 1 67 67 ASN ND2 N 15 114.091 0.030 . 1 . . . . 67 ASN ND2 . 15808 1 783 . 1 1 68 68 ALA H H 1 7.581 0.005 . 1 . . . . 68 ALA H . 15808 1 784 . 1 1 68 68 ALA HA H 1 3.961 0.004 . 1 . . . . 68 ALA HA . 15808 1 785 . 1 1 68 68 ALA HB1 H 1 1.513 0.004 . 1 . . . . 68 ALA HB1 . 15808 1 786 . 1 1 68 68 ALA HB2 H 1 1.513 0.004 . 1 . . . . 68 ALA HB2 . 15808 1 787 . 1 1 68 68 ALA HB3 H 1 1.513 0.004 . 1 . . . . 68 ALA HB3 . 15808 1 788 . 1 1 68 68 ALA C C 13 179.175 0.003 . 1 . . . . 68 ALA C . 15808 1 789 . 1 1 68 68 ALA CA C 13 55.734 0.034 . 1 . . . . 68 ALA CA . 15808 1 790 . 1 1 68 68 ALA CB C 13 18.394 0.048 . 1 . . . . 68 ALA CB . 15808 1 791 . 1 1 68 68 ALA N N 15 119.032 0.057 . 1 . . . . 68 ALA N . 15808 1 792 . 1 1 69 69 PHE H H 1 8.570 0.004 . 1 . . . . 69 PHE H . 15808 1 793 . 1 1 69 69 PHE HA H 1 4.940 0.006 . 1 . . . . 69 PHE HA . 15808 1 794 . 1 1 69 69 PHE HB2 H 1 3.298 0.007 . 2 . . . . 69 PHE HB2 . 15808 1 795 . 1 1 69 69 PHE HB3 H 1 3.471 0.005 . 2 . . . . 69 PHE HB3 . 15808 1 796 . 1 1 69 69 PHE HD1 H 1 7.270 0.005 . 3 . . . . 69 PHE HD1 . 15808 1 797 . 1 1 69 69 PHE HD2 H 1 7.270 0.005 . 3 . . . . 69 PHE HD2 . 15808 1 798 . 1 1 69 69 PHE HE1 H 1 6.428 0.003 . 3 . . . . 69 PHE HE1 . 15808 1 799 . 1 1 69 69 PHE HE2 H 1 6.428 0.003 . 3 . . . . 69 PHE HE2 . 15808 1 800 . 1 1 69 69 PHE HZ H 1 6.643 0.003 . 1 . . . . 69 PHE HZ . 15808 1 801 . 1 1 69 69 PHE C C 13 180.169 0.006 . 1 . . . . 69 PHE C . 15808 1 802 . 1 1 69 69 PHE CA C 13 56.583 0.058 . 1 . . . . 69 PHE CA . 15808 1 803 . 1 1 69 69 PHE CB C 13 37.262 0.055 . 1 . . . . 69 PHE CB . 15808 1 804 . 1 1 69 69 PHE N N 15 115.119 0.040 . 1 . . . . 69 PHE N . 15808 1 805 . 1 1 70 70 GLU H H 1 8.786 0.007 . 1 . . . . 70 GLU H . 15808 1 806 . 1 1 70 70 GLU HA H 1 4.329 0.004 . 1 . . . . 70 GLU HA . 15808 1 807 . 1 1 70 70 GLU HB2 H 1 2.269 0.009 . 2 . . . . 70 GLU HB2 . 15808 1 808 . 1 1 70 70 GLU HB3 H 1 2.372 0.007 . 2 . . . . 70 GLU HB3 . 15808 1 809 . 1 1 70 70 GLU HG2 H 1 2.474 0.004 . 1 . . . . 70 GLU HG2 . 15808 1 810 . 1 1 70 70 GLU C C 13 178.879 0.004 . 1 . . . . 70 GLU C . 15808 1 811 . 1 1 70 70 GLU CA C 13 59.688 0.037 . 1 . . . . 70 GLU CA . 15808 1 812 . 1 1 70 70 GLU CB C 13 30.026 0.069 . 1 . . . . 70 GLU CB . 15808 1 813 . 1 1 70 70 GLU CG C 13 36.218 0.020 . 1 . . . . 70 GLU CG . 15808 1 814 . 1 1 70 70 GLU N N 15 120.926 0.047 . 1 . . . . 70 GLU N . 15808 1 815 . 1 1 71 71 VAL H H 1 8.538 0.006 . 1 . . . . 71 VAL H . 15808 1 816 . 1 1 71 71 VAL HA H 1 3.993 0.004 . 1 . . . . 71 VAL HA . 15808 1 817 . 1 1 71 71 VAL HB H 1 2.342 0.006 . 1 . . . . 71 VAL HB . 15808 1 818 . 1 1 71 71 VAL HG11 H 1 1.216 0.007 . 2 . . . . 71 VAL HG11 . 15808 1 819 . 1 1 71 71 VAL HG12 H 1 1.216 0.007 . 2 . . . . 71 VAL HG12 . 15808 1 820 . 1 1 71 71 VAL HG13 H 1 1.216 0.007 . 2 . . . . 71 VAL HG13 . 15808 1 821 . 1 1 71 71 VAL HG21 H 1 1.373 0.003 . 2 . . . . 71 VAL HG21 . 15808 1 822 . 1 1 71 71 VAL HG22 H 1 1.373 0.003 . 2 . . . . 71 VAL HG22 . 15808 1 823 . 1 1 71 71 VAL HG23 H 1 1.373 0.003 . 2 . . . . 71 VAL HG23 . 15808 1 824 . 1 1 71 71 VAL C C 13 178.789 0.014 . 1 . . . . 71 VAL C . 15808 1 825 . 1 1 71 71 VAL CA C 13 67.173 0.097 . 1 . . . . 71 VAL CA . 15808 1 826 . 1 1 71 71 VAL CB C 13 32.420 0.088 . 1 . . . . 71 VAL CB . 15808 1 827 . 1 1 71 71 VAL CG1 C 13 23.988 0.058 . 2 . . . . 71 VAL CG1 . 15808 1 828 . 1 1 71 71 VAL CG2 C 13 24.126 0.061 . 2 . . . . 71 VAL CG2 . 15808 1 829 . 1 1 71 71 VAL N N 15 120.968 0.069 . 1 . . . . 71 VAL N . 15808 1 830 . 1 1 72 72 ALA H H 1 8.887 0.006 . 1 . . . . 72 ALA H . 15808 1 831 . 1 1 72 72 ALA HA H 1 4.049 0.004 . 1 . . . . 72 ALA HA . 15808 1 832 . 1 1 72 72 ALA HB1 H 1 1.727 0.007 . 1 . . . . 72 ALA HB1 . 15808 1 833 . 1 1 72 72 ALA HB2 H 1 1.727 0.007 . 1 . . . . 72 ALA HB2 . 15808 1 834 . 1 1 72 72 ALA HB3 H 1 1.727 0.007 . 1 . . . . 72 ALA HB3 . 15808 1 835 . 1 1 72 72 ALA C C 13 179.643 0.014 . 1 . . . . 72 ALA C . 15808 1 836 . 1 1 72 72 ALA CA C 13 55.423 0.022 . 1 . . . . 72 ALA CA . 15808 1 837 . 1 1 72 72 ALA CB C 13 18.838 0.025 . 1 . . . . 72 ALA CB . 15808 1 838 . 1 1 72 72 ALA N N 15 121.160 0.048 . 1 . . . . 72 ALA N . 15808 1 839 . 1 1 73 73 GLU H H 1 7.834 0.003 . 1 . . . . 73 GLU H . 15808 1 840 . 1 1 73 73 GLU HA H 1 4.187 0.006 . 1 . . . . 73 GLU HA . 15808 1 841 . 1 1 73 73 GLU HB2 H 1 1.988 0.004 . 2 . . . . 73 GLU HB2 . 15808 1 842 . 1 1 73 73 GLU HB3 H 1 2.200 0.010 . 2 . . . . 73 GLU HB3 . 15808 1 843 . 1 1 73 73 GLU HG2 H 1 2.385 0.004 . 1 . . . . 73 GLU HG2 . 15808 1 844 . 1 1 73 73 GLU C C 13 178.490 0.001 . 1 . . . . 73 GLU C . 15808 1 845 . 1 1 73 73 GLU CA C 13 59.982 0.055 . 1 . . . . 73 GLU CA . 15808 1 846 . 1 1 73 73 GLU CB C 13 31.015 0.033 . 1 . . . . 73 GLU CB . 15808 1 847 . 1 1 73 73 GLU CG C 13 34.622 0.016 . 1 . . . . 73 GLU CG . 15808 1 848 . 1 1 73 73 GLU N N 15 119.578 0.048 . 1 . . . . 73 GLU N . 15808 1 849 . 1 1 74 74 LYS H H 1 8.492 0.005 . 1 . . . . 74 LYS H . 15808 1 850 . 1 1 74 74 LYS HA H 1 3.954 0.005 . 1 . . . . 74 LYS HA . 15808 1 851 . 1 1 74 74 LYS HB2 H 1 1.393 0.006 . 2 . . . . 74 LYS HB2 . 15808 1 852 . 1 1 74 74 LYS HB3 H 1 1.780 0.005 . 2 . . . . 74 LYS HB3 . 15808 1 853 . 1 1 74 74 LYS HD2 H 1 1.555 0.005 . 1 . . . . 74 LYS HD2 . 15808 1 854 . 1 1 74 74 LYS HE2 H 1 2.892 0.003 . 1 . . . . 74 LYS HE2 . 15808 1 855 . 1 1 74 74 LYS HG2 H 1 0.807 0.006 . 2 . . . . 74 LYS HG2 . 15808 1 856 . 1 1 74 74 LYS HG3 H 1 1.241 0.008 . 2 . . . . 74 LYS HG3 . 15808 1 857 . 1 1 74 74 LYS C C 13 178.619 0.005 . 1 . . . . 74 LYS C . 15808 1 858 . 1 1 74 74 LYS CA C 13 59.214 0.034 . 1 . . . . 74 LYS CA . 15808 1 859 . 1 1 74 74 LYS CB C 13 33.802 0.085 . 1 . . . . 74 LYS CB . 15808 1 860 . 1 1 74 74 LYS CD C 13 29.232 0.045 . 1 . . . . 74 LYS CD . 15808 1 861 . 1 1 74 74 LYS CE C 13 42.226 0.003 . 1 . . . . 74 LYS CE . 15808 1 862 . 1 1 74 74 LYS CG C 13 25.310 0.034 . 1 . . . . 74 LYS CG . 15808 1 863 . 1 1 74 74 LYS N N 15 118.114 0.064 . 1 . . . . 74 LYS N . 15808 1 864 . 1 1 75 75 TYR H H 1 8.632 0.009 . 1 . . . . 75 TYR H . 15808 1 865 . 1 1 75 75 TYR HA H 1 4.811 0.008 . 1 . . . . 75 TYR HA . 15808 1 866 . 1 1 75 75 TYR HB2 H 1 2.914 0.008 . 2 . . . . 75 TYR HB2 . 15808 1 867 . 1 1 75 75 TYR HB3 H 1 3.137 0.004 . 2 . . . . 75 TYR HB3 . 15808 1 868 . 1 1 75 75 TYR HD1 H 1 7.492 0.004 . 3 . . . . 75 TYR HD1 . 15808 1 869 . 1 1 75 75 TYR HD2 H 1 7.492 0.004 . 3 . . . . 75 TYR HD2 . 15808 1 870 . 1 1 75 75 TYR HE1 H 1 6.961 0.008 . 3 . . . . 75 TYR HE1 . 15808 1 871 . 1 1 75 75 TYR HE2 H 1 6.961 0.008 . 3 . . . . 75 TYR HE2 . 15808 1 872 . 1 1 75 75 TYR C C 13 176.925 0.005 . 1 . . . . 75 TYR C . 15808 1 873 . 1 1 75 75 TYR CA C 13 59.584 0.094 . 1 . . . . 75 TYR CA . 15808 1 874 . 1 1 75 75 TYR CB C 13 40.319 0.081 . 1 . . . . 75 TYR CB . 15808 1 875 . 1 1 75 75 TYR N N 15 112.057 0.053 . 1 . . . . 75 TYR N . 15808 1 876 . 1 1 76 76 LEU H H 1 7.162 0.004 . 1 . . . . 76 LEU H . 15808 1 877 . 1 1 76 76 LEU HA H 1 4.777 0.008 . 1 . . . . 76 LEU HA . 15808 1 878 . 1 1 76 76 LEU HB2 H 1 1.454 0.005 . 2 . . . . 76 LEU HB2 . 15808 1 879 . 1 1 76 76 LEU HB3 H 1 2.148 0.009 . 2 . . . . 76 LEU HB3 . 15808 1 880 . 1 1 76 76 LEU HD11 H 1 0.946 0.007 . 1 . . . . 76 LEU HD11 . 15808 1 881 . 1 1 76 76 LEU HD12 H 1 0.946 0.007 . 1 . . . . 76 LEU HD12 . 15808 1 882 . 1 1 76 76 LEU HD13 H 1 0.946 0.007 . 1 . . . . 76 LEU HD13 . 15808 1 883 . 1 1 76 76 LEU HG H 1 1.646 0.007 . 1 . . . . 76 LEU HG . 15808 1 884 . 1 1 76 76 LEU C C 13 175.391 0.002 . 1 . . . . 76 LEU C . 15808 1 885 . 1 1 76 76 LEU CA C 13 53.681 0.021 . 1 . . . . 76 LEU CA . 15808 1 886 . 1 1 76 76 LEU CB C 13 42.315 0.016 . 1 . . . . 76 LEU CB . 15808 1 887 . 1 1 76 76 LEU CD1 C 13 27.080 0.026 . 1 . . . . 76 LEU CD1 . 15808 1 888 . 1 1 76 76 LEU CG C 13 27.456 0.001 . 1 . . . . 76 LEU CG . 15808 1 889 . 1 1 76 76 LEU N N 15 115.963 0.060 . 1 . . . . 76 LEU N . 15808 1 890 . 1 1 77 77 ASP H H 1 7.590 0.005 . 1 . . . . 77 ASP H . 15808 1 891 . 1 1 77 77 ASP HA H 1 4.346 0.005 . 1 . . . . 77 ASP HA . 15808 1 892 . 1 1 77 77 ASP HB2 H 1 2.580 0.006 . 2 . . . . 77 ASP HB2 . 15808 1 893 . 1 1 77 77 ASP HB3 H 1 3.013 0.005 . 2 . . . . 77 ASP HB3 . 15808 1 894 . 1 1 77 77 ASP C C 13 174.636 0.007 . 1 . . . . 77 ASP C . 15808 1 895 . 1 1 77 77 ASP CA C 13 55.706 0.034 . 1 . . . . 77 ASP CA . 15808 1 896 . 1 1 77 77 ASP CB C 13 39.901 0.035 . 1 . . . . 77 ASP CB . 15808 1 897 . 1 1 77 77 ASP N N 15 116.242 0.046 . 1 . . . . 77 ASP N . 15808 1 898 . 1 1 78 78 ILE H H 1 7.647 0.003 . 1 . . . . 78 ILE H . 15808 1 899 . 1 1 78 78 ILE HA H 1 4.348 0.003 . 1 . . . . 78 ILE HA . 15808 1 900 . 1 1 78 78 ILE HB H 1 1.227 0.006 . 1 . . . . 78 ILE HB . 15808 1 901 . 1 1 78 78 ILE HD11 H 1 -0.175 0.005 . 1 . . . . 78 ILE HD11 . 15808 1 902 . 1 1 78 78 ILE HD12 H 1 -0.175 0.005 . 1 . . . . 78 ILE HD12 . 15808 1 903 . 1 1 78 78 ILE HD13 H 1 -0.175 0.005 . 1 . . . . 78 ILE HD13 . 15808 1 904 . 1 1 78 78 ILE HG12 H 1 0.434 0.006 . 2 . . . . 78 ILE HG12 . 15808 1 905 . 1 1 78 78 ILE HG13 H 1 1.354 0.007 . 2 . . . . 78 ILE HG13 . 15808 1 906 . 1 1 78 78 ILE HG21 H 1 0.569 0.004 . 1 . . . . 78 ILE HG21 . 15808 1 907 . 1 1 78 78 ILE HG22 H 1 0.569 0.004 . 1 . . . . 78 ILE HG22 . 15808 1 908 . 1 1 78 78 ILE HG23 H 1 0.569 0.004 . 1 . . . . 78 ILE HG23 . 15808 1 909 . 1 1 78 78 ILE C C 13 173.391 0.001 . 1 . . . . 78 ILE C . 15808 1 910 . 1 1 78 78 ILE CA C 13 58.786 0.043 . 1 . . . . 78 ILE CA . 15808 1 911 . 1 1 78 78 ILE CB C 13 39.490 0.043 . 1 . . . . 78 ILE CB . 15808 1 912 . 1 1 78 78 ILE CD1 C 13 13.046 0.001 . 1 . . . . 78 ILE CD1 . 15808 1 913 . 1 1 78 78 ILE CG1 C 13 26.512 0.071 . 1 . . . . 78 ILE CG1 . 15808 1 914 . 1 1 78 78 ILE CG2 C 13 17.227 0.018 . 1 . . . . 78 ILE CG2 . 15808 1 915 . 1 1 78 78 ILE N N 15 120.330 0.064 . 1 . . . . 78 ILE N . 15808 1 916 . 1 1 79 79 PRO HA H 1 4.365 0.002 . 1 . . . . 79 PRO HA . 15808 1 917 . 1 1 79 79 PRO HB2 H 1 1.747 0.007 . 2 . . . . 79 PRO HB2 . 15808 1 918 . 1 1 79 79 PRO HB3 H 1 2.264 0.005 . 2 . . . . 79 PRO HB3 . 15808 1 919 . 1 1 79 79 PRO HD2 H 1 3.674 0.007 . 2 . . . . 79 PRO HD2 . 15808 1 920 . 1 1 79 79 PRO HD3 H 1 3.956 0.006 . 2 . . . . 79 PRO HD3 . 15808 1 921 . 1 1 79 79 PRO HG2 H 1 1.900 0.002 . 2 . . . . 79 PRO HG2 . 15808 1 922 . 1 1 79 79 PRO HG3 H 1 1.971 0.006 . 2 . . . . 79 PRO HG3 . 15808 1 923 . 1 1 79 79 PRO C C 13 176.389 0.010 . 1 . . . . 79 PRO C . 15808 1 924 . 1 1 79 79 PRO CA C 13 62.609 0.062 . 1 . . . . 79 PRO CA . 15808 1 925 . 1 1 79 79 PRO CB C 13 32.870 0.013 . 1 . . . . 79 PRO CB . 15808 1 926 . 1 1 79 79 PRO CD C 13 51.453 0.044 . 1 . . . . 79 PRO CD . 15808 1 927 . 1 1 79 79 PRO CG C 13 27.156 0.001 . 1 . . . . 79 PRO CG . 15808 1 928 . 1 1 80 80 LYS H H 1 8.349 0.010 . 1 . . . . 80 LYS H . 15808 1 929 . 1 1 80 80 LYS HA H 1 4.246 0.003 . 1 . . . . 80 LYS HA . 15808 1 930 . 1 1 80 80 LYS HB2 H 1 1.643 0.004 . 1 . . . . 80 LYS HB2 . 15808 1 931 . 1 1 80 80 LYS HD2 H 1 1.767 0.001 . 1 . . . . 80 LYS HD2 . 15808 1 932 . 1 1 80 80 LYS HE2 H 1 3.044 0.003 . 1 . . . . 80 LYS HE2 . 15808 1 933 . 1 1 80 80 LYS HG2 H 1 1.355 0.005 . 2 . . . . 80 LYS HG2 . 15808 1 934 . 1 1 80 80 LYS HG3 H 1 1.488 0.006 . 2 . . . . 80 LYS HG3 . 15808 1 935 . 1 1 80 80 LYS C C 13 177.445 0.011 . 1 . . . . 80 LYS C . 15808 1 936 . 1 1 80 80 LYS CA C 13 57.625 0.046 . 1 . . . . 80 LYS CA . 15808 1 937 . 1 1 80 80 LYS CB C 13 32.454 0.064 . 1 . . . . 80 LYS CB . 15808 1 938 . 1 1 80 80 LYS CD C 13 29.983 0.002 . 1 . . . . 80 LYS CD . 15808 1 939 . 1 1 80 80 LYS CE C 13 41.692 0.001 . 1 . . . . 80 LYS CE . 15808 1 940 . 1 1 80 80 LYS CG C 13 26.809 0.075 . 1 . . . . 80 LYS CG . 15808 1 941 . 1 1 80 80 LYS N N 15 120.430 0.047 . 1 . . . . 80 LYS N . 15808 1 942 . 1 1 81 81 MET H H 1 6.942 0.007 . 1 . . . . 81 MET H . 15808 1 943 . 1 1 81 81 MET HA H 1 4.309 0.006 . 1 . . . . 81 MET HA . 15808 1 944 . 1 1 81 81 MET HB2 H 1 1.602 0.005 . 2 . . . . 81 MET HB2 . 15808 1 945 . 1 1 81 81 MET HB3 H 1 1.869 0.005 . 2 . . . . 81 MET HB3 . 15808 1 946 . 1 1 81 81 MET HG2 H 1 2.433 0.003 . 2 . . . . 81 MET HG2 . 15808 1 947 . 1 1 81 81 MET HG3 H 1 2.482 0.010 . 2 . . . . 81 MET HG3 . 15808 1 948 . 1 1 81 81 MET C C 13 174.511 0.001 . 1 . . . . 81 MET C . 15808 1 949 . 1 1 81 81 MET CA C 13 56.563 0.031 . 1 . . . . 81 MET CA . 15808 1 950 . 1 1 81 81 MET CB C 13 36.011 0.030 . 1 . . . . 81 MET CB . 15808 1 951 . 1 1 81 81 MET CG C 13 32.448 0.029 . 1 . . . . 81 MET CG . 15808 1 952 . 1 1 81 81 MET N N 15 121.031 0.081 . 1 . . . . 81 MET N . 15808 1 953 . 1 1 82 82 LEU H H 1 7.182 0.012 . 1 . . . . 82 LEU H . 15808 1 954 . 1 1 82 82 LEU HA H 1 4.320 0.005 . 1 . . . . 82 LEU HA . 15808 1 955 . 1 1 82 82 LEU HB2 H 1 0.722 0.006 . 2 . . . . 82 LEU HB2 . 15808 1 956 . 1 1 82 82 LEU HB3 H 1 1.018 0.009 . 2 . . . . 82 LEU HB3 . 15808 1 957 . 1 1 82 82 LEU HD11 H 1 0.618 0.006 . 2 . . . . 82 LEU HD11 . 15808 1 958 . 1 1 82 82 LEU HD12 H 1 0.618 0.006 . 2 . . . . 82 LEU HD12 . 15808 1 959 . 1 1 82 82 LEU HD13 H 1 0.618 0.006 . 2 . . . . 82 LEU HD13 . 15808 1 960 . 1 1 82 82 LEU HD21 H 1 0.642 0.007 . 2 . . . . 82 LEU HD21 . 15808 1 961 . 1 1 82 82 LEU HD22 H 1 0.642 0.007 . 2 . . . . 82 LEU HD22 . 15808 1 962 . 1 1 82 82 LEU HD23 H 1 0.642 0.007 . 2 . . . . 82 LEU HD23 . 15808 1 963 . 1 1 82 82 LEU C C 13 174.363 0.014 . 1 . . . . 82 LEU C . 15808 1 964 . 1 1 82 82 LEU CA C 13 52.653 0.037 . 1 . . . . 82 LEU CA . 15808 1 965 . 1 1 82 82 LEU CB C 13 43.874 0.054 . 1 . . . . 82 LEU CB . 15808 1 966 . 1 1 82 82 LEU CD1 C 13 27.323 0.052 . 2 . . . . 82 LEU CD1 . 15808 1 967 . 1 1 82 82 LEU CD2 C 13 22.841 0.015 . 2 . . . . 82 LEU CD2 . 15808 1 968 . 1 1 82 82 LEU N N 15 117.738 0.034 . 1 . . . . 82 LEU N . 15808 1 969 . 1 1 83 83 ASP H H 1 8.615 0.011 . 1 . . . . 83 ASP H . 15808 1 970 . 1 1 83 83 ASP HA H 1 4.839 0.004 . 1 . . . . 83 ASP HA . 15808 1 971 . 1 1 83 83 ASP HB2 H 1 2.487 0.005 . 2 . . . . 83 ASP HB2 . 15808 1 972 . 1 1 83 83 ASP HB3 H 1 2.844 0.003 . 2 . . . . 83 ASP HB3 . 15808 1 973 . 1 1 83 83 ASP C C 13 176.649 0.005 . 1 . . . . 83 ASP C . 15808 1 974 . 1 1 83 83 ASP CA C 13 52.917 0.040 . 1 . . . . 83 ASP CA . 15808 1 975 . 1 1 83 83 ASP CB C 13 43.708 0.012 . 1 . . . . 83 ASP CB . 15808 1 976 . 1 1 83 83 ASP N N 15 121.481 0.049 . 1 . . . . 83 ASP N . 15808 1 977 . 1 1 84 84 ALA H H 1 9.665 0.015 . 1 . . . . 84 ALA H . 15808 1 978 . 1 1 84 84 ALA HA H 1 4.067 0.005 . 1 . . . . 84 ALA HA . 15808 1 979 . 1 1 84 84 ALA HB1 H 1 1.552 0.006 . 1 . . . . 84 ALA HB1 . 15808 1 980 . 1 1 84 84 ALA HB2 H 1 1.552 0.006 . 1 . . . . 84 ALA HB2 . 15808 1 981 . 1 1 84 84 ALA HB3 H 1 1.552 0.006 . 1 . . . . 84 ALA HB3 . 15808 1 982 . 1 1 84 84 ALA C C 13 178.968 0.003 . 1 . . . . 84 ALA C . 15808 1 983 . 1 1 84 84 ALA CA C 13 56.364 0.044 . 1 . . . . 84 ALA CA . 15808 1 984 . 1 1 84 84 ALA CB C 13 20.614 0.043 . 1 . . . . 84 ALA CB . 15808 1 985 . 1 1 84 84 ALA N N 15 127.873 0.063 . 1 . . . . 84 ALA N . 15808 1 986 . 1 1 85 85 GLU H H 1 8.622 0.014 . 1 . . . . 85 GLU H . 15808 1 987 . 1 1 85 85 GLU HA H 1 3.915 0.004 . 1 . . . . 85 GLU HA . 15808 1 988 . 1 1 85 85 GLU HB2 H 1 2.080 0.007 . 1 . . . . 85 GLU HB2 . 15808 1 989 . 1 1 85 85 GLU HG2 H 1 2.305 0.005 . 2 . . . . 85 GLU HG2 . 15808 1 990 . 1 1 85 85 GLU HG3 H 1 2.377 0.003 . 2 . . . . 85 GLU HG3 . 15808 1 991 . 1 1 85 85 GLU C C 13 178.478 0.008 . 1 . . . . 85 GLU C . 15808 1 992 . 1 1 85 85 GLU CA C 13 60.144 0.042 . 1 . . . . 85 GLU CA . 15808 1 993 . 1 1 85 85 GLU CB C 13 29.356 0.036 . 1 . . . . 85 GLU CB . 15808 1 994 . 1 1 85 85 GLU CG C 13 37.180 0.001 . 1 . . . . 85 GLU CG . 15808 1 995 . 1 1 85 85 GLU N N 15 115.255 0.067 . 1 . . . . 85 GLU N . 15808 1 996 . 1 1 86 86 ASP H H 1 7.784 0.008 . 1 . . . . 86 ASP H . 15808 1 997 . 1 1 86 86 ASP HA H 1 4.469 0.005 . 1 . . . . 86 ASP HA . 15808 1 998 . 1 1 86 86 ASP HB2 H 1 2.876 0.005 . 1 . . . . 86 ASP HB2 . 15808 1 999 . 1 1 86 86 ASP C C 13 178.180 0.010 . 1 . . . . 86 ASP C . 15808 1 1000 . 1 1 86 86 ASP CA C 13 57.152 0.066 . 1 . . . . 86 ASP CA . 15808 1 1001 . 1 1 86 86 ASP CB C 13 41.721 0.040 . 1 . . . . 86 ASP CB . 15808 1 1002 . 1 1 86 86 ASP N N 15 118.293 0.020 . 1 . . . . 86 ASP N . 15808 1 1003 . 1 1 87 87 ILE H H 1 7.753 0.005 . 1 . . . . 87 ILE H . 15808 1 1004 . 1 1 87 87 ILE HA H 1 3.866 0.005 . 1 . . . . 87 ILE HA . 15808 1 1005 . 1 1 87 87 ILE HB H 1 2.304 0.004 . 1 . . . . 87 ILE HB . 15808 1 1006 . 1 1 87 87 ILE HD11 H 1 1.121 0.005 . 1 . . . . 87 ILE HD11 . 15808 1 1007 . 1 1 87 87 ILE HD12 H 1 1.121 0.005 . 1 . . . . 87 ILE HD12 . 15808 1 1008 . 1 1 87 87 ILE HD13 H 1 1.121 0.005 . 1 . . . . 87 ILE HD13 . 15808 1 1009 . 1 1 87 87 ILE HG12 H 1 1.498 0.006 . 2 . . . . 87 ILE HG12 . 15808 1 1010 . 1 1 87 87 ILE HG13 H 1 1.844 0.004 . 2 . . . . 87 ILE HG13 . 15808 1 1011 . 1 1 87 87 ILE HG21 H 1 1.151 0.008 . 1 . . . . 87 ILE HG21 . 15808 1 1012 . 1 1 87 87 ILE HG22 H 1 1.151 0.008 . 1 . . . . 87 ILE HG22 . 15808 1 1013 . 1 1 87 87 ILE HG23 H 1 1.151 0.008 . 1 . . . . 87 ILE HG23 . 15808 1 1014 . 1 1 87 87 ILE C C 13 176.953 0.010 . 1 . . . . 87 ILE C . 15808 1 1015 . 1 1 87 87 ILE CA C 13 64.000 0.059 . 1 . . . . 87 ILE CA . 15808 1 1016 . 1 1 87 87 ILE CB C 13 38.028 0.026 . 1 . . . . 87 ILE CB . 15808 1 1017 . 1 1 87 87 ILE CD1 C 13 13.584 0.001 . 1 . . . . 87 ILE CD1 . 15808 1 1018 . 1 1 87 87 ILE CG1 C 13 29.211 0.001 . 1 . . . . 87 ILE CG1 . 15808 1 1019 . 1 1 87 87 ILE CG2 C 13 19.210 0.001 . 1 . . . . 87 ILE CG2 . 15808 1 1020 . 1 1 87 87 ILE N N 15 118.980 0.084 . 1 . . . . 87 ILE N . 15808 1 1021 . 1 1 88 88 VAL H H 1 7.895 0.004 . 1 . . . . 88 VAL H . 15808 1 1022 . 1 1 88 88 VAL HA H 1 3.874 0.006 . 1 . . . . 88 VAL HA . 15808 1 1023 . 1 1 88 88 VAL HB H 1 2.096 0.004 . 1 . . . . 88 VAL HB . 15808 1 1024 . 1 1 88 88 VAL HG11 H 1 1.010 0.004 . 2 . . . . 88 VAL HG11 . 15808 1 1025 . 1 1 88 88 VAL HG12 H 1 1.010 0.004 . 2 . . . . 88 VAL HG12 . 15808 1 1026 . 1 1 88 88 VAL HG13 H 1 1.010 0.004 . 2 . . . . 88 VAL HG13 . 15808 1 1027 . 1 1 88 88 VAL HG21 H 1 1.069 0.005 . 2 . . . . 88 VAL HG21 . 15808 1 1028 . 1 1 88 88 VAL HG22 H 1 1.069 0.005 . 2 . . . . 88 VAL HG22 . 15808 1 1029 . 1 1 88 88 VAL HG23 H 1 1.069 0.005 . 2 . . . . 88 VAL HG23 . 15808 1 1030 . 1 1 88 88 VAL C C 13 177.763 0.012 . 1 . . . . 88 VAL C . 15808 1 1031 . 1 1 88 88 VAL CA C 13 65.657 0.060 . 1 . . . . 88 VAL CA . 15808 1 1032 . 1 1 88 88 VAL CB C 13 32.490 0.059 . 1 . . . . 88 VAL CB . 15808 1 1033 . 1 1 88 88 VAL CG1 C 13 21.775 0.054 . 2 . . . . 88 VAL CG1 . 15808 1 1034 . 1 1 88 88 VAL CG2 C 13 22.890 0.046 . 2 . . . . 88 VAL CG2 . 15808 1 1035 . 1 1 88 88 VAL N N 15 114.392 0.075 . 1 . . . . 88 VAL N . 15808 1 1036 . 1 1 89 89 ASN H H 1 7.960 0.008 . 1 . . . . 89 ASN H . 15808 1 1037 . 1 1 89 89 ASN HA H 1 4.822 0.006 . 1 . . . . 89 ASN HA . 15808 1 1038 . 1 1 89 89 ASN HB2 H 1 2.951 0.018 . 1 . . . . 89 ASN HB2 . 15808 1 1039 . 1 1 89 89 ASN HD21 H 1 7.034 0.011 . 1 . . . . 89 ASN HD21 . 15808 1 1040 . 1 1 89 89 ASN HD22 H 1 7.752 0.009 . 1 . . . . 89 ASN HD22 . 15808 1 1041 . 1 1 89 89 ASN C C 13 175.300 0.007 . 1 . . . . 89 ASN C . 15808 1 1042 . 1 1 89 89 ASN CA C 13 54.190 0.010 . 1 . . . . 89 ASN CA . 15808 1 1043 . 1 1 89 89 ASN CB C 13 39.343 0.078 . 1 . . . . 89 ASN CB . 15808 1 1044 . 1 1 89 89 ASN N N 15 116.417 0.061 . 1 . . . . 89 ASN N . 15808 1 1045 . 1 1 89 89 ASN ND2 N 15 113.547 0.036 . 1 . . . . 89 ASN ND2 . 15808 1 1046 . 1 1 90 90 THR H H 1 7.407 0.009 . 1 . . . . 90 THR H . 15808 1 1047 . 1 1 90 90 THR HA H 1 4.450 0.005 . 1 . . . . 90 THR HA . 15808 1 1048 . 1 1 90 90 THR HB H 1 4.076 0.007 . 1 . . . . 90 THR HB . 15808 1 1049 . 1 1 90 90 THR HG21 H 1 1.148 0.003 . 1 . . . . 90 THR HG1 . 15808 1 1050 . 1 1 90 90 THR HG22 H 1 1.148 0.003 . 1 . . . . 90 THR HG1 . 15808 1 1051 . 1 1 90 90 THR HG23 H 1 1.148 0.003 . 1 . . . . 90 THR HG1 . 15808 1 1052 . 1 1 90 90 THR C C 13 173.736 0.003 . 1 . . . . 90 THR C . 15808 1 1053 . 1 1 90 90 THR CA C 13 61.421 0.032 . 1 . . . . 90 THR CA . 15808 1 1054 . 1 1 90 90 THR CB C 13 69.819 0.028 . 1 . . . . 90 THR CB . 15808 1 1055 . 1 1 90 90 THR CG2 C 13 21.145 0.121 . 1 . . . . 90 THR CG2 . 15808 1 1056 . 1 1 90 90 THR N N 15 115.094 0.036 . 1 . . . . 90 THR N . 15808 1 1057 . 1 1 91 91 ALA H H 1 8.681 0.009 . 1 . . . . 91 ALA H . 15808 1 1058 . 1 1 91 91 ALA HA H 1 4.113 0.004 . 1 . . . . 91 ALA HA . 15808 1 1059 . 1 1 91 91 ALA HB1 H 1 1.467 0.005 . 1 . . . . 91 ALA HB1 . 15808 1 1060 . 1 1 91 91 ALA HB2 H 1 1.467 0.005 . 1 . . . . 91 ALA HB2 . 15808 1 1061 . 1 1 91 91 ALA HB3 H 1 1.467 0.005 . 1 . . . . 91 ALA HB3 . 15808 1 1062 . 1 1 91 91 ALA C C 13 178.596 0.007 . 1 . . . . 91 ALA C . 15808 1 1063 . 1 1 91 91 ALA CA C 13 55.435 0.067 . 1 . . . . 91 ALA CA . 15808 1 1064 . 1 1 91 91 ALA CB C 13 18.542 0.002 . 1 . . . . 91 ALA CB . 15808 1 1065 . 1 1 91 91 ALA N N 15 129.096 0.025 . 1 . . . . 91 ALA N . 15808 1 1066 . 1 1 92 92 ARG H H 1 8.088 0.002 . 1 . . . . 92 ARG H . 15808 1 1067 . 1 1 92 92 ARG HA H 1 4.778 0.008 . 1 . . . . 92 ARG HA . 15808 1 1068 . 1 1 92 92 ARG HB2 H 1 1.607 0.008 . 2 . . . . 92 ARG HB2 . 15808 1 1069 . 1 1 92 92 ARG HB3 H 1 1.803 0.005 . 2 . . . . 92 ARG HB3 . 15808 1 1070 . 1 1 92 92 ARG HD2 H 1 2.888 0.003 . 1 . . . . 92 ARG HD2 . 15808 1 1071 . 1 1 92 92 ARG HG2 H 1 1.379 0.004 . 2 . . . . 92 ARG HG2 . 15808 1 1072 . 1 1 92 92 ARG HG3 H 1 1.468 0.008 . 2 . . . . 92 ARG HG3 . 15808 1 1073 . 1 1 92 92 ARG C C 13 172.266 0.001 . 1 . . . . 92 ARG C . 15808 1 1074 . 1 1 92 92 ARG CA C 13 53.053 0.017 . 1 . . . . 92 ARG CA . 15808 1 1075 . 1 1 92 92 ARG CB C 13 31.900 0.024 . 1 . . . . 92 ARG CB . 15808 1 1076 . 1 1 92 92 ARG CD C 13 43.514 0.107 . 1 . . . . 92 ARG CD . 15808 1 1077 . 1 1 92 92 ARG CG C 13 26.953 0.001 . 1 . . . . 92 ARG CG . 15808 1 1078 . 1 1 92 92 ARG N N 15 116.864 0.055 . 1 . . . . 92 ARG N . 15808 1 1079 . 1 1 93 93 PRO HA H 1 4.416 0.004 . 1 . . . . 93 PRO HA . 15808 1 1080 . 1 1 93 93 PRO HB2 H 1 1.921 0.004 . 2 . . . . 93 PRO HB2 . 15808 1 1081 . 1 1 93 93 PRO HB3 H 1 2.496 0.005 . 2 . . . . 93 PRO HB3 . 15808 1 1082 . 1 1 93 93 PRO HD2 H 1 3.527 0.005 . 2 . . . . 93 PRO HD2 . 15808 1 1083 . 1 1 93 93 PRO HD3 H 1 3.858 0.003 . 2 . . . . 93 PRO HD3 . 15808 1 1084 . 1 1 93 93 PRO HG2 H 1 1.942 0.001 . 2 . . . . 93 PRO HG2 . 15808 1 1085 . 1 1 93 93 PRO HG3 H 1 2.213 0.006 . 2 . . . . 93 PRO HG3 . 15808 1 1086 . 1 1 93 93 PRO C C 13 173.957 0.008 . 1 . . . . 93 PRO C . 15808 1 1087 . 1 1 93 93 PRO CA C 13 62.911 0.041 . 1 . . . . 93 PRO CA . 15808 1 1088 . 1 1 93 93 PRO CB C 13 33.558 0.029 . 1 . . . . 93 PRO CB . 15808 1 1089 . 1 1 93 93 PRO CD C 13 51.117 0.017 . 1 . . . . 93 PRO CD . 15808 1 1090 . 1 1 93 93 PRO CG C 13 27.742 0.035 . 1 . . . . 93 PRO CG . 15808 1 1091 . 1 1 94 94 ASP H H 1 8.453 0.008 . 1 . . . . 94 ASP H . 15808 1 1092 . 1 1 94 94 ASP HA H 1 4.450 0.010 . 1 . . . . 94 ASP HA . 15808 1 1093 . 1 1 94 94 ASP HB2 H 1 2.720 0.007 . 2 . . . . 94 ASP HB2 . 15808 1 1094 . 1 1 94 94 ASP HB3 H 1 2.935 0.005 . 2 . . . . 94 ASP HB3 . 15808 1 1095 . 1 1 94 94 ASP C C 13 176.151 0.005 . 1 . . . . 94 ASP C . 15808 1 1096 . 1 1 94 94 ASP CA C 13 54.963 0.028 . 1 . . . . 94 ASP CA . 15808 1 1097 . 1 1 94 94 ASP CB C 13 41.676 0.086 . 1 . . . . 94 ASP CB . 15808 1 1098 . 1 1 94 94 ASP N N 15 119.413 0.038 . 1 . . . . 94 ASP N . 15808 1 1099 . 1 1 95 95 GLU H H 1 8.354 0.012 . 1 . . . . 95 GLU H . 15808 1 1100 . 1 1 95 95 GLU HA H 1 4.858 0.005 . 1 . . . . 95 GLU HA . 15808 1 1101 . 1 1 95 95 GLU HB2 H 1 2.122 0.008 . 2 . . . . 95 GLU HB2 . 15808 1 1102 . 1 1 95 95 GLU HB3 H 1 2.236 0.009 . 2 . . . . 95 GLU HB3 . 15808 1 1103 . 1 1 95 95 GLU HG2 H 1 2.376 0.003 . 2 . . . . 95 GLU HG2 . 15808 1 1104 . 1 1 95 95 GLU HG3 H 1 2.423 0.001 . 2 . . . . 95 GLU HG3 . 15808 1 1105 . 1 1 95 95 GLU C C 13 178.134 0.007 . 1 . . . . 95 GLU C . 15808 1 1106 . 1 1 95 95 GLU CA C 13 57.796 0.056 . 1 . . . . 95 GLU CA . 15808 1 1107 . 1 1 95 95 GLU CB C 13 31.343 0.017 . 1 . . . . 95 GLU CB . 15808 1 1108 . 1 1 95 95 GLU CG C 13 36.805 0.001 . 1 . . . . 95 GLU CG . 15808 1 1109 . 1 1 95 95 GLU N N 15 127.875 0.039 . 1 . . . . 95 GLU N . 15808 1 1110 . 1 1 96 96 LYS H H 1 8.164 0.005 . 1 . . . . 96 LYS H . 15808 1 1111 . 1 1 96 96 LYS HA H 1 4.009 0.003 . 1 . . . . 96 LYS HA . 15808 1 1112 . 1 1 96 96 LYS HB2 H 1 1.959 0.005 . 1 . . . . 96 LYS HB2 . 15808 1 1113 . 1 1 96 96 LYS HD2 H 1 1.720 0.002 . 1 . . . . 96 LYS HD2 . 15808 1 1114 . 1 1 96 96 LYS HE2 H 1 2.998 0.002 . 1 . . . . 96 LYS HE2 . 15808 1 1115 . 1 1 96 96 LYS HG2 H 1 1.400 0.004 . 2 . . . . 96 LYS HG2 . 15808 1 1116 . 1 1 96 96 LYS HG3 H 1 1.494 0.008 . 2 . . . . 96 LYS HG3 . 15808 1 1117 . 1 1 96 96 LYS C C 13 179.557 0.006 . 1 . . . . 96 LYS C . 15808 1 1118 . 1 1 96 96 LYS CA C 13 59.768 0.051 . 1 . . . . 96 LYS CA . 15808 1 1119 . 1 1 96 96 LYS CB C 13 31.833 0.053 . 1 . . . . 96 LYS CB . 15808 1 1120 . 1 1 96 96 LYS CD C 13 29.266 0.001 . 1 . . . . 96 LYS CD . 15808 1 1121 . 1 1 96 96 LYS CE C 13 41.768 0.001 . 1 . . . . 96 LYS CE . 15808 1 1122 . 1 1 96 96 LYS CG C 13 25.515 0.001 . 1 . . . . 96 LYS CG . 15808 1 1123 . 1 1 96 96 LYS N N 15 120.834 0.031 . 1 . . . . 96 LYS N . 15808 1 1124 . 1 1 97 97 ALA H H 1 7.736 0.003 . 1 . . . . 97 ALA H . 15808 1 1125 . 1 1 97 97 ALA HA H 1 4.079 0.006 . 1 . . . . 97 ALA HA . 15808 1 1126 . 1 1 97 97 ALA HB1 H 1 1.418 0.006 . 1 . . . . 97 ALA HB1 . 15808 1 1127 . 1 1 97 97 ALA HB2 H 1 1.418 0.006 . 1 . . . . 97 ALA HB2 . 15808 1 1128 . 1 1 97 97 ALA HB3 H 1 1.418 0.006 . 1 . . . . 97 ALA HB3 . 15808 1 1129 . 1 1 97 97 ALA C C 13 180.271 0.011 . 1 . . . . 97 ALA C . 15808 1 1130 . 1 1 97 97 ALA CA C 13 55.142 0.025 . 1 . . . . 97 ALA CA . 15808 1 1131 . 1 1 97 97 ALA CB C 13 18.439 0.026 . 1 . . . . 97 ALA CB . 15808 1 1132 . 1 1 97 97 ALA N N 15 124.377 0.037 . 1 . . . . 97 ALA N . 15808 1 1133 . 1 1 98 98 ILE H H 1 8.052 0.011 . 1 . . . . 98 ILE H . 15808 1 1134 . 1 1 98 98 ILE HA H 1 3.668 0.005 . 1 . . . . 98 ILE HA . 15808 1 1135 . 1 1 98 98 ILE HB H 1 2.382 0.008 . 1 . . . . 98 ILE HB . 15808 1 1136 . 1 1 98 98 ILE HD11 H 1 0.314 0.004 . 1 . . . . 98 ILE HD11 . 15808 1 1137 . 1 1 98 98 ILE HD12 H 1 0.314 0.004 . 1 . . . . 98 ILE HD12 . 15808 1 1138 . 1 1 98 98 ILE HD13 H 1 0.314 0.004 . 1 . . . . 98 ILE HD13 . 15808 1 1139 . 1 1 98 98 ILE HG12 H 1 1.224 0.010 . 2 . . . . 98 ILE HG12 . 15808 1 1140 . 1 1 98 98 ILE HG13 H 1 1.860 0.008 . 2 . . . . 98 ILE HG13 . 15808 1 1141 . 1 1 98 98 ILE HG21 H 1 1.002 0.004 . 1 . . . . 98 ILE HG21 . 15808 1 1142 . 1 1 98 98 ILE HG22 H 1 1.002 0.004 . 1 . . . . 98 ILE HG22 . 15808 1 1143 . 1 1 98 98 ILE HG23 H 1 1.002 0.004 . 1 . . . . 98 ILE HG23 . 15808 1 1144 . 1 1 98 98 ILE C C 13 177.818 0.004 . 1 . . . . 98 ILE C . 15808 1 1145 . 1 1 98 98 ILE CA C 13 65.972 0.077 . 1 . . . . 98 ILE CA . 15808 1 1146 . 1 1 98 98 ILE CB C 13 36.584 0.060 . 1 . . . . 98 ILE CB . 15808 1 1147 . 1 1 98 98 ILE CD1 C 13 17.966 0.001 . 1 . . . . 98 ILE CD1 . 15808 1 1148 . 1 1 98 98 ILE CG1 C 13 30.467 0.001 . 1 . . . . 98 ILE CG1 . 15808 1 1149 . 1 1 98 98 ILE CG2 C 13 12.932 0.056 . 1 . . . . 98 ILE CG2 . 15808 1 1150 . 1 1 98 98 ILE N N 15 117.983 0.053 . 1 . . . . 98 ILE N . 15808 1 1151 . 1 1 99 99 MET H H 1 8.701 0.004 . 1 . . . . 99 MET H . 15808 1 1152 . 1 1 99 99 MET HA H 1 3.047 0.003 . 1 . . . . 99 MET HA . 15808 1 1153 . 1 1 99 99 MET HB2 H 1 1.640 0.006 . 2 . . . . 99 MET HB2 . 15808 1 1154 . 1 1 99 99 MET HB3 H 1 1.775 0.008 . 2 . . . . 99 MET HB3 . 15808 1 1155 . 1 1 99 99 MET HG2 H 1 1.487 0.006 . 2 . . . . 99 MET HG2 . 15808 1 1156 . 1 1 99 99 MET HG3 H 1 1.720 0.013 . 2 . . . . 99 MET HG3 . 15808 1 1157 . 1 1 99 99 MET C C 13 178.381 0.016 . 1 . . . . 99 MET C . 15808 1 1158 . 1 1 99 99 MET CA C 13 60.416 0.039 . 1 . . . . 99 MET CA . 15808 1 1159 . 1 1 99 99 MET CB C 13 32.998 0.081 . 1 . . . . 99 MET CB . 15808 1 1160 . 1 1 99 99 MET N N 15 118.508 0.062 . 1 . . . . 99 MET N . 15808 1 1161 . 1 1 100 100 THR H H 1 8.037 0.004 . 1 . . . . 100 THR H . 15808 1 1162 . 1 1 100 100 THR HA H 1 3.727 0.002 . 1 . . . . 100 THR HA . 15808 1 1163 . 1 1 100 100 THR HB H 1 4.265 0.005 . 1 . . . . 100 THR HB . 15808 1 1164 . 1 1 100 100 THR HG21 H 1 1.198 0.003 . 1 . . . . 100 THR HG1 . 15808 1 1165 . 1 1 100 100 THR HG22 H 1 1.198 0.003 . 1 . . . . 100 THR HG1 . 15808 1 1166 . 1 1 100 100 THR HG23 H 1 1.198 0.003 . 1 . . . . 100 THR HG1 . 15808 1 1167 . 1 1 100 100 THR C C 13 176.161 0.004 . 1 . . . . 100 THR C . 15808 1 1168 . 1 1 100 100 THR CA C 13 67.334 0.130 . 1 . . . . 100 THR CA . 15808 1 1169 . 1 1 100 100 THR CB C 13 68.423 0.144 . 1 . . . . 100 THR CB . 15808 1 1170 . 1 1 100 100 THR CG2 C 13 21.290 0.001 . 1 . . . . 100 THR CG2 . 15808 1 1171 . 1 1 100 100 THR N N 15 116.859 0.037 . 1 . . . . 100 THR N . 15808 1 1172 . 1 1 101 101 TYR H H 1 7.995 0.005 . 1 . . . . 101 TYR H . 15808 1 1173 . 1 1 101 101 TYR HA H 1 4.485 0.004 . 1 . . . . 101 TYR HA . 15808 1 1174 . 1 1 101 101 TYR HB2 H 1 2.979 0.003 . 2 . . . . 101 TYR HB2 . 15808 1 1175 . 1 1 101 101 TYR HB3 H 1 3.106 0.004 . 2 . . . . 101 TYR HB3 . 15808 1 1176 . 1 1 101 101 TYR HD1 H 1 6.996 0.004 . 3 . . . . 101 TYR HD1 . 15808 1 1177 . 1 1 101 101 TYR HD2 H 1 6.996 0.004 . 3 . . . . 101 TYR HD2 . 15808 1 1178 . 1 1 101 101 TYR HE1 H 1 6.603 0.004 . 3 . . . . 101 TYR HE1 . 15808 1 1179 . 1 1 101 101 TYR HE2 H 1 6.603 0.004 . 3 . . . . 101 TYR HE2 . 15808 1 1180 . 1 1 101 101 TYR C C 13 178.359 0.007 . 1 . . . . 101 TYR C . 15808 1 1181 . 1 1 101 101 TYR CA C 13 61.677 0.058 . 1 . . . . 101 TYR CA . 15808 1 1182 . 1 1 101 101 TYR CB C 13 39.511 0.047 . 1 . . . . 101 TYR CB . 15808 1 1183 . 1 1 101 101 TYR N N 15 124.965 0.039 . 1 . . . . 101 TYR N . 15808 1 1184 . 1 1 102 102 VAL H H 1 9.143 0.010 . 1 . . . . 102 VAL H . 15808 1 1185 . 1 1 102 102 VAL HA H 1 3.540 0.008 . 1 . . . . 102 VAL HA . 15808 1 1186 . 1 1 102 102 VAL HB H 1 1.845 0.006 . 1 . . . . 102 VAL HB . 15808 1 1187 . 1 1 102 102 VAL HG11 H 1 0.358 0.009 . 2 . . . . 102 VAL HG11 . 15808 1 1188 . 1 1 102 102 VAL HG12 H 1 0.358 0.009 . 2 . . . . 102 VAL HG12 . 15808 1 1189 . 1 1 102 102 VAL HG13 H 1 0.358 0.009 . 2 . . . . 102 VAL HG13 . 15808 1 1190 . 1 1 102 102 VAL HG21 H 1 1.081 0.004 . 2 . . . . 102 VAL HG21 . 15808 1 1191 . 1 1 102 102 VAL HG22 H 1 1.081 0.004 . 2 . . . . 102 VAL HG22 . 15808 1 1192 . 1 1 102 102 VAL HG23 H 1 1.081 0.004 . 2 . . . . 102 VAL HG23 . 15808 1 1193 . 1 1 102 102 VAL C C 13 179.085 0.005 . 1 . . . . 102 VAL C . 15808 1 1194 . 1 1 102 102 VAL CA C 13 67.521 0.115 . 1 . . . . 102 VAL CA . 15808 1 1195 . 1 1 102 102 VAL CB C 13 31.454 0.062 . 1 . . . . 102 VAL CB . 15808 1 1196 . 1 1 102 102 VAL CG1 C 13 24.362 0.004 . 2 . . . . 102 VAL CG1 . 15808 1 1197 . 1 1 102 102 VAL CG2 C 13 23.024 0.056 . 2 . . . . 102 VAL CG2 . 15808 1 1198 . 1 1 102 102 VAL N N 15 118.963 0.077 . 1 . . . . 102 VAL N . 15808 1 1199 . 1 1 103 103 SER H H 1 8.568 0.010 . 1 . . . . 103 SER H . 15808 1 1200 . 1 1 103 103 SER HA H 1 4.003 0.007 . 1 . . . . 103 SER HA . 15808 1 1201 . 1 1 103 103 SER HB2 H 1 3.913 0.014 . 2 . . . . 103 SER HB2 . 15808 1 1202 . 1 1 103 103 SER HB3 H 1 4.070 0.016 . 2 . . . . 103 SER HB3 . 15808 1 1203 . 1 1 103 103 SER C C 13 176.060 0.001 . 1 . . . . 103 SER C . 15808 1 1204 . 1 1 103 103 SER CA C 13 62.799 0.104 . 1 . . . . 103 SER CA . 15808 1 1205 . 1 1 103 103 SER CB C 13 62.681 0.007 . 1 . . . . 103 SER CB . 15808 1 1206 . 1 1 103 103 SER N N 15 116.602 0.045 . 1 . . . . 103 SER N . 15808 1 1207 . 1 1 104 104 SER H H 1 7.723 0.004 . 1 . . . . 104 SER H . 15808 1 1208 . 1 1 104 104 SER HA H 1 4.333 0.005 . 1 . . . . 104 SER HA . 15808 1 1209 . 1 1 104 104 SER HB2 H 1 3.699 0.013 . 2 . . . . 104 SER HB2 . 15808 1 1210 . 1 1 104 104 SER HB3 H 1 3.982 0.013 . 2 . . . . 104 SER HB3 . 15808 1 1211 . 1 1 104 104 SER C C 13 177.240 0.001 . 1 . . . . 104 SER C . 15808 1 1212 . 1 1 104 104 SER CA C 13 62.842 0.038 . 1 . . . . 104 SER CA . 15808 1 1213 . 1 1 104 104 SER CB C 13 63.152 0.047 . 1 . . . . 104 SER CB . 15808 1 1214 . 1 1 104 104 SER N N 15 118.239 0.042 . 1 . . . . 104 SER N . 15808 1 1215 . 1 1 105 105 PHE H H 1 7.822 0.004 . 1 . . . . 105 PHE H . 15808 1 1216 . 1 1 105 105 PHE HA H 1 3.800 0.013 . 1 . . . . 105 PHE HA . 15808 1 1217 . 1 1 105 105 PHE HB2 H 1 3.080 0.006 . 1 . . . . 105 PHE HB2 . 15808 1 1218 . 1 1 105 105 PHE HD1 H 1 7.275 0.005 . 3 . . . . 105 PHE HD1 . 15808 1 1219 . 1 1 105 105 PHE HD2 H 1 7.275 0.005 . 3 . . . . 105 PHE HD2 . 15808 1 1220 . 1 1 105 105 PHE HE1 H 1 6.870 0.003 . 3 . . . . 105 PHE HE1 . 15808 1 1221 . 1 1 105 105 PHE HE2 H 1 6.870 0.003 . 3 . . . . 105 PHE HE2 . 15808 1 1222 . 1 1 105 105 PHE HZ H 1 7.162 0.004 . 1 . . . . 105 PHE HZ . 15808 1 1223 . 1 1 105 105 PHE C C 13 176.387 0.008 . 1 . . . . 105 PHE C . 15808 1 1224 . 1 1 105 105 PHE CA C 13 61.390 0.044 . 1 . . . . 105 PHE CA . 15808 1 1225 . 1 1 105 105 PHE CB C 13 38.272 0.054 . 1 . . . . 105 PHE CB . 15808 1 1226 . 1 1 105 105 PHE N N 15 123.735 0.091 . 1 . . . . 105 PHE N . 15808 1 1227 . 1 1 106 106 TYR H H 1 7.791 0.013 . 1 . . . . 106 TYR H . 15808 1 1228 . 1 1 106 106 TYR HA H 1 3.254 0.010 . 1 . . . . 106 TYR HA . 15808 1 1229 . 1 1 106 106 TYR HB2 H 1 1.984 0.005 . 2 . . . . 106 TYR HB2 . 15808 1 1230 . 1 1 106 106 TYR HB3 H 1 2.784 0.008 . 2 . . . . 106 TYR HB3 . 15808 1 1231 . 1 1 106 106 TYR HD1 H 1 5.450 0.010 . 3 . . . . 106 TYR HD1 . 15808 1 1232 . 1 1 106 106 TYR HD2 H 1 5.450 0.010 . 3 . . . . 106 TYR HD2 . 15808 1 1233 . 1 1 106 106 TYR HE1 H 1 6.244 0.007 . 3 . . . . 106 TYR HE1 . 15808 1 1234 . 1 1 106 106 TYR HE2 H 1 6.244 0.007 . 3 . . . . 106 TYR HE2 . 15808 1 1235 . 1 1 106 106 TYR C C 13 177.849 0.007 . 1 . . . . 106 TYR C . 15808 1 1236 . 1 1 106 106 TYR CA C 13 61.255 0.078 . 1 . . . . 106 TYR CA . 15808 1 1237 . 1 1 106 106 TYR CB C 13 37.788 0.041 . 1 . . . . 106 TYR CB . 15808 1 1238 . 1 1 106 106 TYR N N 15 119.966 0.039 . 1 . . . . 106 TYR N . 15808 1 1239 . 1 1 107 107 HIS H H 1 8.008 0.017 . 1 . . . . 107 HIS H . 15808 1 1240 . 1 1 107 107 HIS HA H 1 4.052 0.004 . 1 . . . . 107 HIS HA . 15808 1 1241 . 1 1 107 107 HIS HB2 H 1 3.063 0.006 . 2 . . . . 107 HIS HB2 . 15808 1 1242 . 1 1 107 107 HIS HB3 H 1 3.137 0.010 . 2 . . . . 107 HIS HB3 . 15808 1 1243 . 1 1 107 107 HIS HD2 H 1 7.107 0.016 . 1 . . . . 107 HIS HD2 . 15808 1 1244 . 1 1 107 107 HIS HE1 H 1 7.990 0.004 . 1 . . . . 107 HIS HE1 . 15808 1 1245 . 1 1 107 107 HIS C C 13 177.726 0.006 . 1 . . . . 107 HIS C . 15808 1 1246 . 1 1 107 107 HIS CA C 13 59.609 0.057 . 1 . . . . 107 HIS CA . 15808 1 1247 . 1 1 107 107 HIS CB C 13 29.956 0.061 . 1 . . . . 107 HIS CB . 15808 1 1248 . 1 1 107 107 HIS N N 15 116.818 0.048 . 1 . . . . 107 HIS N . 15808 1 1249 . 1 1 108 108 ALA H H 1 7.590 0.003 . 1 . . . . 108 ALA H . 15808 1 1250 . 1 1 108 108 ALA HA H 1 3.997 0.003 . 1 . . . . 108 ALA HA . 15808 1 1251 . 1 1 108 108 ALA HB1 H 1 0.970 0.002 . 1 . . . . 108 ALA HB1 . 15808 1 1252 . 1 1 108 108 ALA HB2 H 1 0.970 0.002 . 1 . . . . 108 ALA HB2 . 15808 1 1253 . 1 1 108 108 ALA HB3 H 1 0.970 0.002 . 1 . . . . 108 ALA HB3 . 15808 1 1254 . 1 1 108 108 ALA C C 13 179.694 0.013 . 1 . . . . 108 ALA C . 15808 1 1255 . 1 1 108 108 ALA CA C 13 54.830 0.063 . 1 . . . . 108 ALA CA . 15808 1 1256 . 1 1 108 108 ALA CB C 13 18.191 0.035 . 1 . . . . 108 ALA CB . 15808 1 1257 . 1 1 108 108 ALA N N 15 121.375 0.021 . 1 . . . . 108 ALA N . 15808 1 1258 . 1 1 109 109 PHE H H 1 7.754 0.007 . 1 . . . . 109 PHE H . 15808 1 1259 . 1 1 109 109 PHE HA H 1 5.048 0.006 . 1 . . . . 109 PHE HA . 15808 1 1260 . 1 1 109 109 PHE HB2 H 1 2.679 0.005 . 2 . . . . 109 PHE HB2 . 15808 1 1261 . 1 1 109 109 PHE HB3 H 1 3.055 0.005 . 2 . . . . 109 PHE HB3 . 15808 1 1262 . 1 1 109 109 PHE HD1 H 1 7.094 0.005 . 3 . . . . 109 PHE HD1 . 15808 1 1263 . 1 1 109 109 PHE HD2 H 1 7.094 0.005 . 3 . . . . 109 PHE HD2 . 15808 1 1264 . 1 1 109 109 PHE HE1 H 1 7.199 0.005 . 3 . . . . 109 PHE HE1 . 15808 1 1265 . 1 1 109 109 PHE HE2 H 1 7.199 0.005 . 3 . . . . 109 PHE HE2 . 15808 1 1266 . 1 1 109 109 PHE HZ H 1 7.141 0.003 . 1 . . . . 109 PHE HZ . 15808 1 1267 . 1 1 109 109 PHE C C 13 177.090 0.016 . 1 . . . . 109 PHE C . 15808 1 1268 . 1 1 109 109 PHE CA C 13 55.778 0.045 . 1 . . . . 109 PHE CA . 15808 1 1269 . 1 1 109 109 PHE CB C 13 39.229 0.053 . 1 . . . . 109 PHE CB . 15808 1 1270 . 1 1 109 109 PHE N N 15 113.950 0.062 . 1 . . . . 109 PHE N . 15808 1 1271 . 1 1 110 110 SER H H 1 7.781 0.006 . 1 . . . . 110 SER H . 15808 1 1272 . 1 1 110 110 SER HA H 1 4.289 0.014 . 1 . . . . 110 SER HA . 15808 1 1273 . 1 1 110 110 SER HB2 H 1 3.435 0.005 . 2 . . . . 110 SER HB2 . 15808 1 1274 . 1 1 110 110 SER HB3 H 1 3.566 0.004 . 2 . . . . 110 SER HB3 . 15808 1 1275 . 1 1 110 110 SER C C 13 175.387 0.004 . 1 . . . . 110 SER C . 15808 1 1276 . 1 1 110 110 SER CA C 13 60.194 0.064 . 1 . . . . 110 SER CA . 15808 1 1277 . 1 1 110 110 SER CB C 13 63.193 0.067 . 1 . . . . 110 SER CB . 15808 1 1278 . 1 1 110 110 SER N N 15 116.293 0.034 . 1 . . . . 110 SER N . 15808 1 1279 . 1 1 111 111 GLY H H 1 8.272 0.012 . 1 . . . . 111 GLY H . 15808 1 1280 . 1 1 111 111 GLY HA2 H 1 3.781 0.016 . 2 . . . . 111 GLY HA2 . 15808 1 1281 . 1 1 111 111 GLY HA3 H 1 3.946 0.004 . 2 . . . . 111 GLY HA3 . 15808 1 1282 . 1 1 111 111 GLY C C 13 173.811 0.003 . 1 . . . . 111 GLY C . 15808 1 1283 . 1 1 111 111 GLY CA C 13 45.647 0.039 . 1 . . . . 111 GLY CA . 15808 1 1284 . 1 1 111 111 GLY N N 15 110.228 0.084 . 1 . . . . 111 GLY N . 15808 1 1285 . 1 1 112 112 ALA H H 1 7.921 0.016 . 1 . . . . 112 ALA H . 15808 1 1286 . 1 1 112 112 ALA HA H 1 4.429 0.007 . 1 . . . . 112 ALA HA . 15808 1 1287 . 1 1 112 112 ALA HB1 H 1 1.490 0.012 . 1 . . . . 112 ALA HB1 . 15808 1 1288 . 1 1 112 112 ALA HB2 H 1 1.490 0.012 . 1 . . . . 112 ALA HB2 . 15808 1 1289 . 1 1 112 112 ALA HB3 H 1 1.490 0.012 . 1 . . . . 112 ALA HB3 . 15808 1 1290 . 1 1 112 112 ALA C C 13 176.988 0.007 . 1 . . . . 112 ALA C . 15808 1 1291 . 1 1 112 112 ALA CA C 13 52.573 0.030 . 1 . . . . 112 ALA CA . 15808 1 1292 . 1 1 112 112 ALA CB C 13 19.714 0.025 . 1 . . . . 112 ALA CB . 15808 1 1293 . 1 1 112 112 ALA N N 15 123.864 0.026 . 1 . . . . 112 ALA N . 15808 1 1294 . 1 1 113 113 GLN H H 1 8.073 0.005 . 1 . . . . 113 GLN H . 15808 1 1295 . 1 1 113 113 GLN HA H 1 4.197 0.007 . 1 . . . . 113 GLN HA . 15808 1 1296 . 1 1 113 113 GLN HB2 H 1 1.989 0.005 . 2 . . . . 113 GLN HB2 . 15808 1 1297 . 1 1 113 113 GLN HB3 H 1 2.186 0.006 . 2 . . . . 113 GLN HB3 . 15808 1 1298 . 1 1 113 113 GLN HE21 H 1 6.859 0.011 . 1 . . . . 113 GLN HE21 . 15808 1 1299 . 1 1 113 113 GLN HE22 H 1 7.533 0.009 . 1 . . . . 113 GLN HE22 . 15808 1 1300 . 1 1 113 113 GLN HG2 H 1 2.375 0.008 . 1 . . . . 113 GLN HG2 . 15808 1 1301 . 1 1 113 113 GLN C C 13 180.949 0.001 . 1 . . . . 113 GLN C . 15808 1 1302 . 1 1 113 113 GLN CA C 13 57.738 0.046 . 1 . . . . 113 GLN CA . 15808 1 1303 . 1 1 113 113 GLN CB C 13 30.266 0.001 . 1 . . . . 113 GLN CB . 15808 1 1304 . 1 1 113 113 GLN CG C 13 32.195 0.018 . 1 . . . . 113 GLN CG . 15808 1 1305 . 1 1 113 113 GLN N N 15 125.128 0.043 . 1 . . . . 113 GLN N . 15808 1 1306 . 1 1 113 113 GLN NE2 N 15 112.498 0.025 . 1 . . . . 113 GLN NE2 . 15808 1 stop_ save_