data_7108 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7108 _Entry.Title ; 1H, 13C and 15N chemical shift assignments for TrxA (reduced form) from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-12 _Entry.Accession_date 2006-05-12 _Entry.Last_release_date 2008-06-23 _Entry.Original_release_date 2008-06-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Huimin Xu . . . 7108 2 Changwen Jin . . . 7108 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7108 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 439 7108 '15N chemical shifts' 105 7108 '1H chemical shifts' 695 7108 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-06-23 2006-05-12 original author . 7108 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GZY 'BMRB Entry Tracking System' 7108 . 15028 'Trx-ArsC complex' 7108 . 7109 'TrxA monomer (oxidized form)' 7108 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7108 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17303556 _Citation.Full_citation . _Citation.Title 'Conformational fluctuations coupled to the thiol-disulfide transfer between thioredoxin and arsenate reductase in Bacillus subtilis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 15 _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 11078 _Citation.Page_last 11083 _Citation.Year 2007 _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 Y. Li . . . 7108 1 2 Y. Hu . . . 7108 1 3 X. Zhang . . . 7108 1 4 H. Xu . . . 7108 1 5 E. Lescop . . . 7108 1 6 B. Xia . . . 7108 1 7 C. Jin . . . 7108 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7108 _Assembly.ID 1 _Assembly.Name 'TrxA monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _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 'TrxA monomer' 1 $TrxA_monomer . . no native no no . . . 7108 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TrxA_monomer _Entity.Sf_category entity _Entity.Sf_framecode TrxA_monomer _Entity.Entry_ID 7108 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TrxA _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 ; MAIVKATDQSFSAETSEGVV LADFWAPWCGPCKMIAPVLE ELDQEMGDKLKIVKIDVDEN QETAGKYGVMSIPTLLVLKD GEVVETSVGFKPKEALQELV NKHL ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 15028 . thioredoxin . . . . . 100.00 104 99.04 99.04 1.35e-66 . . . . 7108 1 2 no BMRB 7109 . TrxA_monomer . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7108 1 3 no PDB 2GZY . "Solution Structures Of The Reduced Form Of Thioredoxin From Bacillus Subtilis" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7108 1 4 no PDB 2GZZ . "Solution Structures Of The Oxidized Form Of Thioredoxin From Bacillus Subtilis" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7108 1 5 no PDB 2IPA . "Solution Structure Of Trx-Arsc Complex" . . . . . 100.00 104 99.04 99.04 1.35e-66 . . . . 7108 1 6 no PDB 2VOC . "Thioredoxin A Active Site Mutants Form Mixed Disulfide Dimers That Resemble Enzyme-substrate Reaction Intermediate" . . . . . 100.00 112 99.04 99.04 5.62e-67 . . . . 7108 1 7 no DBJ BAI86356 . "thioredoxin [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7108 1 8 no DBJ BAM54098 . "thioredoxin [Bacillus subtilis BEST7613]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7108 1 9 no DBJ BAM58927 . "thioredoxin [Bacillus subtilis BEST7003]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7108 1 10 no DBJ GAK79977 . "thioredoxin [Bacillus subtilis Miyagi-4]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7108 1 11 no EMBL CAA99577 . "thioredoxin [Bacillus subtilis]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7108 1 12 no EMBL CAB14810 . "thioredoxin [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7108 1 13 no EMBL CBI43781 . "thioredoxin [Bacillus amyloliquefaciens DSM 7]" . . . . . 100.00 104 99.04 100.00 3.49e-67 . . . . 7108 1 14 no EMBL CCF06106 . "thioredoxin [Bacillus amyloliquefaciens subsp. plantarum CAU B946]" . . . . . 100.00 104 99.04 100.00 3.49e-67 . . . . 7108 1 15 no EMBL CCG50792 . "thioredoxin [Bacillus amyloliquefaciens subsp. plantarum YAU B9601-Y2]" . . . . . 100.00 104 99.04 100.00 3.49e-67 . . . . 7108 1 16 no GB AAA87315 . "thioredoxin [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7108 1 17 no GB AAU24505 . "thioredoxin [Bacillus licheniformis DSM 13 = ATCC 14580]" . . . . . 100.00 104 97.12 100.00 2.68e-66 . . . . 7108 1 18 no GB AAU41865 . "thioredoxin TrxA [Bacillus licheniformis DSM 13 = ATCC 14580]" . . . . . 100.00 104 97.12 100.00 2.68e-66 . . . . 7108 1 19 no GB ABS74914 . "TrxA [Bacillus amyloliquefaciens subsp. plantarum str. FZB42]" . . . . . 100.00 104 99.04 100.00 3.49e-67 . . . . 7108 1 20 no GB ADM38802 . "thioredoxin [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7108 1 21 no REF NP_390728 . "thioredoxin [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7108 1 22 no REF WP_003152560 . "MULTISPECIES: thioredoxin [Bacillales]" . . . . . 100.00 104 99.04 100.00 3.49e-67 . . . . 7108 1 23 no REF WP_003184189 . "MULTISPECIES: thioredoxin [Bacillus]" . . . . . 100.00 104 97.12 100.00 2.68e-66 . . . . 7108 1 24 no REF WP_003222500 . "MULTISPECIES: thioredoxin [Bacillales]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7108 1 25 no REF WP_003325184 . "MULTISPECIES: thioredoxin [Bacillus subtilis group]" . . . . . 100.00 104 98.08 100.00 5.51e-67 . . . . 7108 1 26 no SP P14949 . "RecName: Full=Thioredoxin; Short=Trx [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7108 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 1 MET . 7108 1 2 2 ALA . 7108 1 3 3 ILE . 7108 1 4 4 VAL . 7108 1 5 5 LYS . 7108 1 6 6 ALA . 7108 1 7 7 THR . 7108 1 8 8 ASP . 7108 1 9 9 GLN . 7108 1 10 10 SER . 7108 1 11 11 PHE . 7108 1 12 12 SER . 7108 1 13 13 ALA . 7108 1 14 14 GLU . 7108 1 15 15 THR . 7108 1 16 16 SER . 7108 1 17 17 GLU . 7108 1 18 18 GLY . 7108 1 19 19 VAL . 7108 1 20 20 VAL . 7108 1 21 21 LEU . 7108 1 22 22 ALA . 7108 1 23 23 ASP . 7108 1 24 24 PHE . 7108 1 25 25 TRP . 7108 1 26 26 ALA . 7108 1 27 27 PRO . 7108 1 28 28 TRP . 7108 1 29 29 CYS . 7108 1 30 30 GLY . 7108 1 31 31 PRO . 7108 1 32 32 CYS . 7108 1 33 33 LYS . 7108 1 34 34 MET . 7108 1 35 35 ILE . 7108 1 36 36 ALA . 7108 1 37 37 PRO . 7108 1 38 38 VAL . 7108 1 39 39 LEU . 7108 1 40 40 GLU . 7108 1 41 41 GLU . 7108 1 42 42 LEU . 7108 1 43 43 ASP . 7108 1 44 44 GLN . 7108 1 45 45 GLU . 7108 1 46 46 MET . 7108 1 47 47 GLY . 7108 1 48 48 ASP . 7108 1 49 49 LYS . 7108 1 50 50 LEU . 7108 1 51 51 LYS . 7108 1 52 52 ILE . 7108 1 53 53 VAL . 7108 1 54 54 LYS . 7108 1 55 55 ILE . 7108 1 56 56 ASP . 7108 1 57 57 VAL . 7108 1 58 58 ASP . 7108 1 59 59 GLU . 7108 1 60 60 ASN . 7108 1 61 61 GLN . 7108 1 62 62 GLU . 7108 1 63 63 THR . 7108 1 64 64 ALA . 7108 1 65 65 GLY . 7108 1 66 66 LYS . 7108 1 67 67 TYR . 7108 1 68 68 GLY . 7108 1 69 69 VAL . 7108 1 70 70 MET . 7108 1 71 71 SER . 7108 1 72 72 ILE . 7108 1 73 73 PRO . 7108 1 74 74 THR . 7108 1 75 75 LEU . 7108 1 76 76 LEU . 7108 1 77 77 VAL . 7108 1 78 78 LEU . 7108 1 79 79 LYS . 7108 1 80 80 ASP . 7108 1 81 81 GLY . 7108 1 82 82 GLU . 7108 1 83 83 VAL . 7108 1 84 84 VAL . 7108 1 85 85 GLU . 7108 1 86 86 THR . 7108 1 87 87 SER . 7108 1 88 88 VAL . 7108 1 89 89 GLY . 7108 1 90 90 PHE . 7108 1 91 91 LYS . 7108 1 92 92 PRO . 7108 1 93 93 LYS . 7108 1 94 94 GLU . 7108 1 95 95 ALA . 7108 1 96 96 LEU . 7108 1 97 97 GLN . 7108 1 98 98 GLU . 7108 1 99 99 LEU . 7108 1 100 100 VAL . 7108 1 101 101 ASN . 7108 1 102 102 LYS . 7108 1 103 103 HIS . 7108 1 104 104 LEU . 7108 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 7108 1 . ALA 2 2 7108 1 . ILE 3 3 7108 1 . VAL 4 4 7108 1 . LYS 5 5 7108 1 . ALA 6 6 7108 1 . THR 7 7 7108 1 . ASP 8 8 7108 1 . GLN 9 9 7108 1 . SER 10 10 7108 1 . PHE 11 11 7108 1 . SER 12 12 7108 1 . ALA 13 13 7108 1 . GLU 14 14 7108 1 . THR 15 15 7108 1 . SER 16 16 7108 1 . GLU 17 17 7108 1 . GLY 18 18 7108 1 . VAL 19 19 7108 1 . VAL 20 20 7108 1 . LEU 21 21 7108 1 . ALA 22 22 7108 1 . ASP 23 23 7108 1 . PHE 24 24 7108 1 . TRP 25 25 7108 1 . ALA 26 26 7108 1 . PRO 27 27 7108 1 . TRP 28 28 7108 1 . CYS 29 29 7108 1 . GLY 30 30 7108 1 . PRO 31 31 7108 1 . CYS 32 32 7108 1 . LYS 33 33 7108 1 . MET 34 34 7108 1 . ILE 35 35 7108 1 . ALA 36 36 7108 1 . PRO 37 37 7108 1 . VAL 38 38 7108 1 . LEU 39 39 7108 1 . GLU 40 40 7108 1 . GLU 41 41 7108 1 . LEU 42 42 7108 1 . ASP 43 43 7108 1 . GLN 44 44 7108 1 . GLU 45 45 7108 1 . MET 46 46 7108 1 . GLY 47 47 7108 1 . ASP 48 48 7108 1 . LYS 49 49 7108 1 . LEU 50 50 7108 1 . LYS 51 51 7108 1 . ILE 52 52 7108 1 . VAL 53 53 7108 1 . LYS 54 54 7108 1 . ILE 55 55 7108 1 . ASP 56 56 7108 1 . VAL 57 57 7108 1 . ASP 58 58 7108 1 . GLU 59 59 7108 1 . ASN 60 60 7108 1 . GLN 61 61 7108 1 . GLU 62 62 7108 1 . THR 63 63 7108 1 . ALA 64 64 7108 1 . GLY 65 65 7108 1 . LYS 66 66 7108 1 . TYR 67 67 7108 1 . GLY 68 68 7108 1 . VAL 69 69 7108 1 . MET 70 70 7108 1 . SER 71 71 7108 1 . ILE 72 72 7108 1 . PRO 73 73 7108 1 . THR 74 74 7108 1 . LEU 75 75 7108 1 . LEU 76 76 7108 1 . VAL 77 77 7108 1 . LEU 78 78 7108 1 . LYS 79 79 7108 1 . ASP 80 80 7108 1 . GLY 81 81 7108 1 . GLU 82 82 7108 1 . VAL 83 83 7108 1 . VAL 84 84 7108 1 . GLU 85 85 7108 1 . THR 86 86 7108 1 . SER 87 87 7108 1 . VAL 88 88 7108 1 . GLY 89 89 7108 1 . PHE 90 90 7108 1 . LYS 91 91 7108 1 . PRO 92 92 7108 1 . LYS 93 93 7108 1 . GLU 94 94 7108 1 . ALA 95 95 7108 1 . LEU 96 96 7108 1 . GLN 97 97 7108 1 . GLU 98 98 7108 1 . LEU 99 99 7108 1 . VAL 100 100 7108 1 . ASN 101 101 7108 1 . LYS 102 102 7108 1 . HIS 103 103 7108 1 . LEU 104 104 7108 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 7108 _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 $TrxA_monomer . 1423 . no . 'Bacillus subtilis' . . Eubacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 7108 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 7108 _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 $TrxA_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7108 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7108 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 TrxA '[U-95% 13C; U-95% 15N]' . . 1 $TrxA_monomer . . 1.00 . . mM 0.05 . . . 7108 1 2 DTT . . . . . . . 20 . . mM . . . . 7108 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7108 _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' 0.06 . M 7108 1 pH 6.8 0.1 pH 7108 1 pressure 1 . atm 7108 1 temperature 298 0.5 K 7108 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 7108 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7108 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7108 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7108 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7108 1 3 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7108 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7108 _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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7108 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7108 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7108 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7108 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 7108 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.161 0.02 . 1 . . . . 2 ALA HA . 7108 1 2 . 1 1 2 2 ALA HB1 H 1 1.448 0.02 . 1 . . . . 2 ALA HB . 7108 1 3 . 1 1 2 2 ALA HB2 H 1 1.448 0.02 . 1 . . . . 2 ALA HB . 7108 1 4 . 1 1 2 2 ALA HB3 H 1 1.448 0.02 . 1 . . . . 2 ALA HB . 7108 1 5 . 1 1 2 2 ALA C C 13 173.430 0.30 . 1 . . . . 2 ALA C . 7108 1 6 . 1 1 2 2 ALA CA C 13 51.580 0.30 . 1 . . . . 2 ALA CA . 7108 1 7 . 1 1 2 2 ALA CB C 13 19.700 0.30 . 1 . . . . 2 ALA CB . 7108 1 8 . 1 1 3 3 ILE H H 1 8.630 0.02 . 1 . . . . 3 ILE HN . 7108 1 9 . 1 1 3 3 ILE HA H 1 4.585 0.02 . 1 . . . . 3 ILE HA . 7108 1 10 . 1 1 3 3 ILE HB H 1 1.617 0.02 . 1 . . . . 3 ILE HB . 7108 1 11 . 1 1 3 3 ILE HG12 H 1 0.762 0.02 . 1 . . . . 3 ILE HG11 . 7108 1 12 . 1 1 3 3 ILE HG13 H 1 1.554 0.02 . 1 . . . . 3 ILE HG12 . 7108 1 13 . 1 1 3 3 ILE HG21 H 1 0.623 0.02 . 1 . . . . 3 ILE HG2 . 7108 1 14 . 1 1 3 3 ILE HG22 H 1 0.623 0.02 . 1 . . . . 3 ILE HG2 . 7108 1 15 . 1 1 3 3 ILE HG23 H 1 0.623 0.02 . 1 . . . . 3 ILE HG2 . 7108 1 16 . 1 1 3 3 ILE HD11 H 1 0.697 0.02 . 1 . . . . 3 ILE HD1 . 7108 1 17 . 1 1 3 3 ILE HD12 H 1 0.697 0.02 . 1 . . . . 3 ILE HD1 . 7108 1 18 . 1 1 3 3 ILE HD13 H 1 0.697 0.02 . 1 . . . . 3 ILE HD1 . 7108 1 19 . 1 1 3 3 ILE C C 13 176.159 0.30 . 1 . . . . 3 ILE C . 7108 1 20 . 1 1 3 3 ILE CA C 13 61.430 0.30 . 1 . . . . 3 ILE CA . 7108 1 21 . 1 1 3 3 ILE CB C 13 38.180 0.30 . 1 . . . . 3 ILE CB . 7108 1 22 . 1 1 3 3 ILE CG1 C 13 28.245 0.30 . 2 . . . . 3 ILE CG1 . 7108 1 23 . 1 1 3 3 ILE CG2 C 13 17.232 0.30 . 1 . . . . 3 ILE CG2 . 7108 1 24 . 1 1 3 3 ILE CD1 C 13 13.509 0.30 . 1 . . . . 3 ILE CD1 . 7108 1 25 . 1 1 3 3 ILE N N 15 122.960 0.30 . 1 . . . . 3 ILE N . 7108 1 26 . 1 1 4 4 VAL H H 1 8.958 0.02 . 1 . . . . 4 VAL HN . 7108 1 27 . 1 1 4 4 VAL HA H 1 4.335 0.02 . 1 . . . . 4 VAL HA . 7108 1 28 . 1 1 4 4 VAL HB H 1 1.995 0.02 . 1 . . . . 4 VAL HB . 7108 1 29 . 1 1 4 4 VAL HG11 H 1 0.833 0.02 . 2 . . . . 4 VAL HG1 . 7108 1 30 . 1 1 4 4 VAL HG12 H 1 0.833 0.02 . 2 . . . . 4 VAL HG1 . 7108 1 31 . 1 1 4 4 VAL HG13 H 1 0.833 0.02 . 2 . . . . 4 VAL HG1 . 7108 1 32 . 1 1 4 4 VAL HG21 H 1 0.880 0.02 . 2 . . . . 4 VAL HG2 . 7108 1 33 . 1 1 4 4 VAL HG22 H 1 0.880 0.02 . 2 . . . . 4 VAL HG2 . 7108 1 34 . 1 1 4 4 VAL HG23 H 1 0.880 0.02 . 2 . . . . 4 VAL HG2 . 7108 1 35 . 1 1 4 4 VAL C C 13 174.363 0.30 . 1 . . . . 4 VAL C . 7108 1 36 . 1 1 4 4 VAL CA C 13 60.850 0.30 . 1 . . . . 4 VAL CA . 7108 1 37 . 1 1 4 4 VAL CB C 13 35.310 0.30 . 1 . . . . 4 VAL CB . 7108 1 38 . 1 1 4 4 VAL CG1 C 13 20.711 0.30 . 1 . . . . 4 VAL CG1 . 7108 1 39 . 1 1 4 4 VAL CG2 C 13 20.711 0.30 . 1 . . . . 4 VAL CG2 . 7108 1 40 . 1 1 4 4 VAL N N 15 128.410 0.30 . 1 . . . . 4 VAL N . 7108 1 41 . 1 1 5 5 LYS H H 1 8.580 0.02 . 1 . . . . 5 LYS HN . 7108 1 42 . 1 1 5 5 LYS HA H 1 4.838 0.02 . 1 . . . . 5 LYS HA . 7108 1 43 . 1 1 5 5 LYS HB2 H 1 1.820 0.02 . 2 . . . . 5 LYS HB2 . 7108 1 44 . 1 1 5 5 LYS HG2 H 1 1.265 0.02 . 2 . . . . 5 LYS HG1 . 7108 1 45 . 1 1 5 5 LYS HG3 H 1 1.575 0.02 . 2 . . . . 5 LYS HG2 . 7108 1 46 . 1 1 5 5 LYS HD2 H 1 1.746 0.02 . 2 . . . . 5 LYS HD2 . 7108 1 47 . 1 1 5 5 LYS HE2 H 1 2.983 0.02 . 2 . . . . 5 LYS HE1 . 7108 1 48 . 1 1 5 5 LYS HE3 H 1 3.057 0.02 . 2 . . . . 5 LYS HE2 . 7108 1 49 . 1 1 5 5 LYS C C 13 175.686 0.30 . 1 . . . . 5 LYS C . 7108 1 50 . 1 1 5 5 LYS CA C 13 55.950 0.30 . 1 . . . . 5 LYS CA . 7108 1 51 . 1 1 5 5 LYS CB C 13 33.320 0.30 . 1 . . . . 5 LYS CB . 7108 1 52 . 1 1 5 5 LYS CG C 13 25.364 0.30 . 1 . . . . 5 LYS CG . 7108 1 53 . 1 1 5 5 LYS CD C 13 29.916 0.30 . 1 . . . . 5 LYS CD . 7108 1 54 . 1 1 5 5 LYS CE C 13 42.224 0.30 . 1 . . . . 5 LYS CE . 7108 1 55 . 1 1 5 5 LYS N N 15 126.270 0.30 . 1 . . . . 5 LYS N . 7108 1 56 . 1 1 6 6 ALA H H 1 8.904 0.02 . 1 . . . . 6 ALA HN . 7108 1 57 . 1 1 6 6 ALA HA H 1 4.753 0.02 . 1 . . . . 6 ALA HA . 7108 1 58 . 1 1 6 6 ALA HB1 H 1 1.234 0.02 . 1 . . . . 6 ALA HB . 7108 1 59 . 1 1 6 6 ALA HB2 H 1 1.234 0.02 . 1 . . . . 6 ALA HB . 7108 1 60 . 1 1 6 6 ALA HB3 H 1 1.234 0.02 . 1 . . . . 6 ALA HB . 7108 1 61 . 1 1 6 6 ALA C C 13 174.353 0.30 . 1 . . . . 6 ALA C . 7108 1 62 . 1 1 6 6 ALA CA C 13 50.090 0.30 . 1 . . . . 6 ALA CA . 7108 1 63 . 1 1 6 6 ALA CB C 13 23.390 0.30 . 1 . . . . 6 ALA CB . 7108 1 64 . 1 1 6 6 ALA N N 15 127.240 0.30 . 1 . . . . 6 ALA N . 7108 1 65 . 1 1 7 7 THR H H 1 7.985 0.02 . 1 . . . . 7 THR HN . 7108 1 66 . 1 1 7 7 THR HA H 1 4.715 0.02 . 1 . . . . 7 THR HA . 7108 1 67 . 1 1 7 7 THR HB H 1 4.785 0.02 . 1 . . . . 7 THR HB . 7108 1 68 . 1 1 7 7 THR HG21 H 1 1.242 0.02 . 1 . . . . 7 THR HG2 . 7108 1 69 . 1 1 7 7 THR HG22 H 1 1.242 0.02 . 1 . . . . 7 THR HG2 . 7108 1 70 . 1 1 7 7 THR HG23 H 1 1.242 0.02 . 1 . . . . 7 THR HG2 . 7108 1 71 . 1 1 7 7 THR C C 13 175.769 0.30 . 1 . . . . 7 THR C . 7108 1 72 . 1 1 7 7 THR CA C 13 59.120 0.30 . 1 . . . . 7 THR CA . 7108 1 73 . 1 1 7 7 THR CB C 13 73.790 0.30 . 1 . . . . 7 THR CB . 7108 1 74 . 1 1 7 7 THR CG2 C 13 21.560 0.30 . 1 . . . . 7 THR CG2 . 7108 1 75 . 1 1 7 7 THR N N 15 108.110 0.30 . 1 . . . . 7 THR N . 7108 1 76 . 1 1 8 8 ASP H H 1 8.836 0.02 . 1 . . . . 8 ASP HN . 7108 1 77 . 1 1 8 8 ASP HA H 1 4.457 0.02 . 1 . . . . 8 ASP HA . 7108 1 78 . 1 1 8 8 ASP HB2 H 1 2.772 0.02 . 2 . . . . 8 ASP HB2 . 7108 1 79 . 1 1 8 8 ASP C C 13 178.324 0.30 . 1 . . . . 8 ASP C . 7108 1 80 . 1 1 8 8 ASP CA C 13 57.740 0.30 . 1 . . . . 8 ASP CA . 7108 1 81 . 1 1 8 8 ASP CB C 13 41.440 0.30 . 1 . . . . 8 ASP CB . 7108 1 82 . 1 1 8 8 ASP N N 15 120.090 0.30 . 1 . . . . 8 ASP N . 7108 1 83 . 1 1 9 9 GLN H H 1 8.071 0.02 . 1 . . . . 9 GLN HN . 7108 1 84 . 1 1 9 9 GLN HA H 1 4.262 0.02 . 1 . . . . 9 GLN HA . 7108 1 85 . 1 1 9 9 GLN HB2 H 1 2.086 0.02 . 2 . . . . 9 GLN HB2 . 7108 1 86 . 1 1 9 9 GLN HG2 H 1 2.481 0.02 . 2 . . . . 9 GLN HG1 . 7108 1 87 . 1 1 9 9 GLN HG3 H 1 2.561 0.02 . 2 . . . . 9 GLN HG2 . 7108 1 88 . 1 1 9 9 GLN HE21 H 1 7.649 0.02 . 2 . . . . 9 GLN HE21 . 7108 1 89 . 1 1 9 9 GLN HE22 H 1 6.970 0.02 . 2 . . . . 9 GLN HE22 . 7108 1 90 . 1 1 9 9 GLN C C 13 177.288 0.30 . 1 . . . . 9 GLN C . 7108 1 91 . 1 1 9 9 GLN CA C 13 58.480 0.30 . 1 . . . . 9 GLN CA . 7108 1 92 . 1 1 9 9 GLN CB C 13 28.770 0.30 . 1 . . . . 9 GLN CB . 7108 1 93 . 1 1 9 9 GLN CG C 13 34.434 0.30 . 1 . . . . 9 GLN CG . 7108 1 94 . 1 1 9 9 GLN N N 15 115.820 0.30 . 1 . . . . 9 GLN N . 7108 1 95 . 1 1 9 9 GLN NE2 N 15 112.795 0.30 . 1 . . . . 9 GLN NE2 . 7108 1 96 . 1 1 10 10 SER H H 1 7.814 0.02 . 1 . . . . 10 SER HN . 7108 1 97 . 1 1 10 10 SER HA H 1 4.819 0.02 . 1 . . . . 10 SER HA . 7108 1 98 . 1 1 10 10 SER HB2 H 1 3.755 0.02 . 2 . . . . 10 SER HB1 . 7108 1 99 . 1 1 10 10 SER HB3 H 1 4.390 0.02 . 2 . . . . 10 SER HB2 . 7108 1 100 . 1 1 10 10 SER C C 13 175.517 0.30 . 1 . . . . 10 SER C . 7108 1 101 . 1 1 10 10 SER CA C 13 58.380 0.30 . 1 . . . . 10 SER CA . 7108 1 102 . 1 1 10 10 SER CB C 13 66.070 0.30 . 1 . . . . 10 SER CB . 7108 1 103 . 1 1 10 10 SER N N 15 113.950 0.30 . 1 . . . . 10 SER N . 7108 1 104 . 1 1 11 11 PHE H H 1 8.546 0.02 . 1 . . . . 11 PHE HN . 7108 1 105 . 1 1 11 11 PHE HA H 1 3.638 0.02 . 1 . . . . 11 PHE HA . 7108 1 106 . 1 1 11 11 PHE HB2 H 1 3.054 0.02 . 2 . . . . 11 PHE HB1 . 7108 1 107 . 1 1 11 11 PHE HB3 H 1 3.144 0.02 . 2 . . . . 11 PHE HB2 . 7108 1 108 . 1 1 11 11 PHE HD1 H 1 6.855 0.02 . 3 . . . . 11 PHE HD1 . 7108 1 109 . 1 1 11 11 PHE C C 13 178.367 0.30 . 1 . . . . 11 PHE C . 7108 1 110 . 1 1 11 11 PHE CA C 13 64.520 0.30 . 1 . . . . 11 PHE CA . 7108 1 111 . 1 1 11 11 PHE CB C 13 39.120 0.30 . 1 . . . . 11 PHE CB . 7108 1 112 . 1 1 11 11 PHE CD1 C 13 131.582 0.30 . 3 . . . . 11 PHE CD1 . 7108 1 113 . 1 1 11 11 PHE N N 15 123.960 0.30 . 1 . . . . 11 PHE N . 7108 1 114 . 1 1 12 12 SER H H 1 9.387 0.02 . 1 . . . . 12 SER HN . 7108 1 115 . 1 1 12 12 SER HA H 1 3.982 0.02 . 1 . . . . 12 SER HA . 7108 1 116 . 1 1 12 12 SER C C 13 176.398 0.30 . 1 . . . . 12 SER C . 7108 1 117 . 1 1 12 12 SER CA C 13 62.320 0.30 . 1 . . . . 12 SER CA . 7108 1 118 . 1 1 12 12 SER CB C 13 62.264 0.30 . 1 . . . . 12 SER CB . 7108 1 119 . 1 1 12 12 SER N N 15 115.900 0.30 . 1 . . . . 12 SER N . 7108 1 120 . 1 1 13 13 ALA H H 1 8.223 0.02 . 1 . . . . 13 ALA HN . 7108 1 121 . 1 1 13 13 ALA HA H 1 4.148 0.02 . 1 . . . . 13 ALA HA . 7108 1 122 . 1 1 13 13 ALA HB1 H 1 1.468 0.02 . 1 . . . . 13 ALA HB . 7108 1 123 . 1 1 13 13 ALA HB2 H 1 1.468 0.02 . 1 . . . . 13 ALA HB . 7108 1 124 . 1 1 13 13 ALA HB3 H 1 1.468 0.02 . 1 . . . . 13 ALA HB . 7108 1 125 . 1 1 13 13 ALA C C 13 181.186 0.30 . 1 . . . . 13 ALA C . 7108 1 126 . 1 1 13 13 ALA CA C 13 54.950 0.30 . 1 . . . . 13 ALA CA . 7108 1 127 . 1 1 13 13 ALA CB C 13 18.000 0.30 . 1 . . . . 13 ALA CB . 7108 1 128 . 1 1 13 13 ALA N N 15 124.290 0.30 . 1 . . . . 13 ALA N . 7108 1 129 . 1 1 14 14 GLU H H 1 8.211 0.02 . 1 . . . . 14 GLU HN . 7108 1 130 . 1 1 14 14 GLU HA H 1 4.257 0.02 . 1 . . . . 14 GLU HA . 7108 1 131 . 1 1 14 14 GLU HB2 H 1 1.846 0.02 . 2 . . . . 14 GLU HB1 . 7108 1 132 . 1 1 14 14 GLU HB3 H 1 1.687 0.02 . 2 . . . . 14 GLU HB2 . 7108 1 133 . 1 1 14 14 GLU HG2 H 1 2.085 0.02 . 2 . . . . 14 GLU HG1 . 7108 1 134 . 1 1 14 14 GLU HG3 H 1 2.461 0.02 . 2 . . . . 14 GLU HG2 . 7108 1 135 . 1 1 14 14 GLU C C 13 178.487 0.30 . 1 . . . . 14 GLU C . 7108 1 136 . 1 1 14 14 GLU CA C 13 57.130 0.30 . 1 . . . . 14 GLU CA . 7108 1 137 . 1 1 14 14 GLU CB C 13 30.510 0.30 . 1 . . . . 14 GLU CB . 7108 1 138 . 1 1 14 14 GLU CG C 13 34.902 0.30 . 1 . . . . 14 GLU CG . 7108 1 139 . 1 1 14 14 GLU N N 15 114.260 0.30 . 1 . . . . 14 GLU N . 7108 1 140 . 1 1 15 15 THR H H 1 7.342 0.02 . 1 . . . . 15 THR HN . 7108 1 141 . 1 1 15 15 THR HA H 1 4.311 0.02 . 1 . . . . 15 THR HA . 7108 1 142 . 1 1 15 15 THR HB H 1 4.116 0.02 . 1 . . . . 15 THR HB . 7108 1 143 . 1 1 15 15 THR HG21 H 1 0.152 0.02 . 1 . . . . 15 THR HG2 . 7108 1 144 . 1 1 15 15 THR HG22 H 1 0.152 0.02 . 1 . . . . 15 THR HG2 . 7108 1 145 . 1 1 15 15 THR HG23 H 1 0.152 0.02 . 1 . . . . 15 THR HG2 . 7108 1 146 . 1 1 15 15 THR C C 13 174.764 0.30 . 1 . . . . 15 THR C . 7108 1 147 . 1 1 15 15 THR CA C 13 61.240 0.30 . 1 . . . . 15 THR CA . 7108 1 148 . 1 1 15 15 THR CB C 13 69.740 0.30 . 1 . . . . 15 THR CB . 7108 1 149 . 1 1 15 15 THR CG2 C 13 19.559 0.30 . 1 . . . . 15 THR CG2 . 7108 1 150 . 1 1 15 15 THR N N 15 104.190 0.30 . 1 . . . . 15 THR N . 7108 1 151 . 1 1 16 16 SER H H 1 7.153 0.02 . 1 . . . . 16 SER HN . 7108 1 152 . 1 1 16 16 SER HA H 1 4.046 0.02 . 1 . . . . 16 SER HA . 7108 1 153 . 1 1 16 16 SER HB2 H 1 4.035 0.02 . 2 . . . . 16 SER HB1 . 7108 1 154 . 1 1 16 16 SER HB3 H 1 3.940 0.02 . 2 . . . . 16 SER HB2 . 7108 1 155 . 1 1 16 16 SER C C 13 173.176 0.30 . 1 . . . . 16 SER C . 7108 1 156 . 1 1 16 16 SER CA C 13 61.600 0.30 . 1 . . . . 16 SER CA . 7108 1 157 . 1 1 16 16 SER CB C 13 64.140 0.30 . 1 . . . . 16 SER CB . 7108 1 158 . 1 1 16 16 SER N N 15 115.730 0.30 . 1 . . . . 16 SER N . 7108 1 159 . 1 1 17 17 GLU H H 1 7.608 0.02 . 1 . . . . 17 GLU HN . 7108 1 160 . 1 1 17 17 GLU HA H 1 4.779 0.02 . 1 . . . . 17 GLU HA . 7108 1 161 . 1 1 17 17 GLU HB2 H 1 1.913 0.02 . 2 . . . . 17 GLU HB1 . 7108 1 162 . 1 1 17 17 GLU HB3 H 1 1.765 0.02 . 2 . . . . 17 GLU HB2 . 7108 1 163 . 1 1 17 17 GLU HG2 H 1 2.149 0.02 . 2 . . . . 17 GLU HG2 . 7108 1 164 . 1 1 17 17 GLU C C 13 176.144 0.30 . 1 . . . . 17 GLU C . 7108 1 165 . 1 1 17 17 GLU CA C 13 54.960 0.30 . 1 . . . . 17 GLU CA . 7108 1 166 . 1 1 17 17 GLU CB C 13 33.440 0.30 . 1 . . . . 17 GLU CB . 7108 1 167 . 1 1 17 17 GLU CG C 13 36.129 0.30 . 1 . . . . 17 GLU CG . 7108 1 168 . 1 1 17 17 GLU N N 15 117.790 0.30 . 1 . . . . 17 GLU N . 7108 1 169 . 1 1 18 18 GLY H H 1 8.763 0.02 . 1 . . . . 18 GLY HN . 7108 1 170 . 1 1 18 18 GLY HA2 H 1 4.033 0.02 . 2 . . . . 18 GLY HA1 . 7108 1 171 . 1 1 18 18 GLY HA3 H 1 3.916 0.02 . 2 . . . . 18 GLY HA2 . 7108 1 172 . 1 1 18 18 GLY C C 13 173.711 0.30 . 1 . . . . 18 GLY C . 7108 1 173 . 1 1 18 18 GLY CA C 13 44.960 0.30 . 1 . . . . 18 GLY CA . 7108 1 174 . 1 1 18 18 GLY N N 15 110.120 0.30 . 1 . . . . 18 GLY N . 7108 1 175 . 1 1 19 19 VAL H H 1 8.500 0.02 . 1 . . . . 19 VAL HN . 7108 1 176 . 1 1 19 19 VAL HA H 1 5.019 0.02 . 1 . . . . 19 VAL HA . 7108 1 177 . 1 1 19 19 VAL HB H 1 2.054 0.02 . 1 . . . . 19 VAL HB . 7108 1 178 . 1 1 19 19 VAL HG11 H 1 1.023 0.02 . 2 . . . . 19 VAL HG1 . 7108 1 179 . 1 1 19 19 VAL HG12 H 1 1.023 0.02 . 2 . . . . 19 VAL HG1 . 7108 1 180 . 1 1 19 19 VAL HG13 H 1 1.023 0.02 . 2 . . . . 19 VAL HG1 . 7108 1 181 . 1 1 19 19 VAL HG21 H 1 0.798 0.02 . 2 . . . . 19 VAL HG2 . 7108 1 182 . 1 1 19 19 VAL HG22 H 1 0.798 0.02 . 2 . . . . 19 VAL HG2 . 7108 1 183 . 1 1 19 19 VAL HG23 H 1 0.798 0.02 . 2 . . . . 19 VAL HG2 . 7108 1 184 . 1 1 19 19 VAL C C 13 175.362 0.30 . 1 . . . . 19 VAL C . 7108 1 185 . 1 1 19 19 VAL CA C 13 62.560 0.30 . 1 . . . . 19 VAL CA . 7108 1 186 . 1 1 19 19 VAL CB C 13 31.540 0.30 . 1 . . . . 19 VAL CB . 7108 1 187 . 1 1 19 19 VAL CG1 C 13 22.576 0.30 . 1 . . . . 19 VAL CG1 . 7108 1 188 . 1 1 19 19 VAL CG2 C 13 21.032 0.30 . 1 . . . . 19 VAL CG2 . 7108 1 189 . 1 1 19 19 VAL N N 15 123.400 0.30 . 1 . . . . 19 VAL N . 7108 1 190 . 1 1 20 20 VAL H H 1 9.125 0.02 . 1 . . . . 20 VAL HN . 7108 1 191 . 1 1 20 20 VAL HA H 1 5.102 0.02 . 1 . . . . 20 VAL HA . 7108 1 192 . 1 1 20 20 VAL HB H 1 1.796 0.02 . 1 . . . . 20 VAL HB . 7108 1 193 . 1 1 20 20 VAL HG11 H 1 0.668 0.02 . 2 . . . . 20 VAL HG1 . 7108 1 194 . 1 1 20 20 VAL HG12 H 1 0.668 0.02 . 2 . . . . 20 VAL HG1 . 7108 1 195 . 1 1 20 20 VAL HG13 H 1 0.668 0.02 . 2 . . . . 20 VAL HG1 . 7108 1 196 . 1 1 20 20 VAL HG21 H 1 0.780 0.02 . 2 . . . . 20 VAL HG2 . 7108 1 197 . 1 1 20 20 VAL HG22 H 1 0.780 0.02 . 2 . . . . 20 VAL HG2 . 7108 1 198 . 1 1 20 20 VAL HG23 H 1 0.780 0.02 . 2 . . . . 20 VAL HG2 . 7108 1 199 . 1 1 20 20 VAL C C 13 173.671 0.30 . 1 . . . . 20 VAL C . 7108 1 200 . 1 1 20 20 VAL CA C 13 59.400 0.30 . 1 . . . . 20 VAL CA . 7108 1 201 . 1 1 20 20 VAL CB C 13 36.370 0.30 . 1 . . . . 20 VAL CB . 7108 1 202 . 1 1 20 20 VAL CG1 C 13 21.565 0.30 . 1 . . . . 20 VAL CG1 . 7108 1 203 . 1 1 20 20 VAL CG2 C 13 22.081 0.30 . 1 . . . . 20 VAL CG2 . 7108 1 204 . 1 1 20 20 VAL N N 15 129.160 0.30 . 1 . . . . 20 VAL N . 7108 1 205 . 1 1 21 21 LEU H H 1 8.903 0.02 . 1 . . . . 21 LEU HN . 7108 1 206 . 1 1 21 21 LEU HA H 1 5.303 0.02 . 1 . . . . 21 LEU HA . 7108 1 207 . 1 1 21 21 LEU HB2 H 1 1.898 0.02 . 2 . . . . 21 LEU HB1 . 7108 1 208 . 1 1 21 21 LEU HB3 H 1 1.157 0.02 . 2 . . . . 21 LEU HB2 . 7108 1 209 . 1 1 21 21 LEU HG H 1 1.330 0.02 . 1 . . . . 21 LEU HG . 7108 1 210 . 1 1 21 21 LEU HD11 H 1 0.739 0.02 . 2 . . . . 21 LEU HD1 . 7108 1 211 . 1 1 21 21 LEU HD12 H 1 0.739 0.02 . 2 . . . . 21 LEU HD1 . 7108 1 212 . 1 1 21 21 LEU HD13 H 1 0.739 0.02 . 2 . . . . 21 LEU HD1 . 7108 1 213 . 1 1 21 21 LEU HD21 H 1 0.680 0.02 . 2 . . . . 21 LEU HD2 . 7108 1 214 . 1 1 21 21 LEU HD22 H 1 0.680 0.02 . 2 . . . . 21 LEU HD2 . 7108 1 215 . 1 1 21 21 LEU HD23 H 1 0.680 0.02 . 2 . . . . 21 LEU HD2 . 7108 1 216 . 1 1 21 21 LEU C C 13 173.795 0.30 . 1 . . . . 21 LEU C . 7108 1 217 . 1 1 21 21 LEU CA C 13 52.770 0.30 . 1 . . . . 21 LEU CA . 7108 1 218 . 1 1 21 21 LEU CB C 13 45.240 0.30 . 1 . . . . 21 LEU CB . 7108 1 219 . 1 1 21 21 LEU CG C 13 26.630 0.30 . 1 . . . . 21 LEU CG . 7108 1 220 . 1 1 21 21 LEU CD1 C 13 24.659 0.30 . 1 . . . . 21 LEU CD1 . 7108 1 221 . 1 1 21 21 LEU CD2 C 13 26.510 0.30 . 1 . . . . 21 LEU CD2 . 7108 1 222 . 1 1 21 21 LEU N N 15 127.840 0.30 . 1 . . . . 21 LEU N . 7108 1 223 . 1 1 22 22 ALA H H 1 9.807 0.02 . 1 . . . . 22 ALA HN . 7108 1 224 . 1 1 22 22 ALA HA H 1 5.327 0.02 . 1 . . . . 22 ALA HA . 7108 1 225 . 1 1 22 22 ALA HB1 H 1 1.183 0.02 . 1 . . . . 22 ALA HB . 7108 1 226 . 1 1 22 22 ALA HB2 H 1 1.183 0.02 . 1 . . . . 22 ALA HB . 7108 1 227 . 1 1 22 22 ALA HB3 H 1 1.183 0.02 . 1 . . . . 22 ALA HB . 7108 1 228 . 1 1 22 22 ALA C C 13 174.927 0.30 . 1 . . . . 22 ALA C . 7108 1 229 . 1 1 22 22 ALA CA C 13 49.740 0.30 . 1 . . . . 22 ALA CA . 7108 1 230 . 1 1 22 22 ALA CB C 13 21.110 0.30 . 1 . . . . 22 ALA CB . 7108 1 231 . 1 1 22 22 ALA N N 15 129.320 0.30 . 1 . . . . 22 ALA N . 7108 1 232 . 1 1 23 23 ASP H H 1 9.254 0.02 . 1 . . . . 23 ASP HN . 7108 1 233 . 1 1 23 23 ASP HA H 1 5.147 0.02 . 1 . . . . 23 ASP HA . 7108 1 234 . 1 1 23 23 ASP HB2 H 1 2.777 0.02 . 2 . . . . 23 ASP HB1 . 7108 1 235 . 1 1 23 23 ASP HB3 H 1 2.108 0.02 . 2 . . . . 23 ASP HB2 . 7108 1 236 . 1 1 23 23 ASP C C 13 174.005 0.30 . 1 . . . . 23 ASP C . 7108 1 237 . 1 1 23 23 ASP CA C 13 52.210 0.30 . 1 . . . . 23 ASP CA . 7108 1 238 . 1 1 23 23 ASP CB C 13 40.130 0.30 . 1 . . . . 23 ASP CB . 7108 1 239 . 1 1 23 23 ASP N N 15 121.380 0.30 . 1 . . . . 23 ASP N . 7108 1 240 . 1 1 24 24 PHE H H 1 9.224 0.02 . 1 . . . . 24 PHE HN . 7108 1 241 . 1 1 24 24 PHE HA H 1 5.170 0.02 . 1 . . . . 24 PHE HA . 7108 1 242 . 1 1 24 24 PHE HB2 H 1 3.473 0.02 . 2 . . . . 24 PHE HB1 . 7108 1 243 . 1 1 24 24 PHE HB3 H 1 2.657 0.02 . 2 . . . . 24 PHE HB2 . 7108 1 244 . 1 1 24 24 PHE HD1 H 1 7.158 0.02 . 3 . . . . 24 PHE HD1 . 7108 1 245 . 1 1 24 24 PHE C C 13 173.863 0.30 . 1 . . . . 24 PHE C . 7108 1 246 . 1 1 24 24 PHE CA C 13 57.680 0.30 . 1 . . . . 24 PHE CA . 7108 1 247 . 1 1 24 24 PHE CB C 13 38.560 0.30 . 1 . . . . 24 PHE CB . 7108 1 248 . 1 1 24 24 PHE CD1 C 13 131.678 0.30 . 3 . . . . 24 PHE CD1 . 7108 1 249 . 1 1 24 24 PHE N N 15 127.990 0.30 . 1 . . . . 24 PHE N . 7108 1 250 . 1 1 25 25 TRP H H 1 8.584 0.02 . 1 . . . . 25 TRP HN . 7108 1 251 . 1 1 25 25 TRP HA H 1 5.275 0.02 . 1 . . . . 25 TRP HA . 7108 1 252 . 1 1 25 25 TRP HB2 H 1 3.169 0.02 . 2 . . . . 25 TRP HB2 . 7108 1 253 . 1 1 25 25 TRP HD1 H 1 7.288 0.02 . 1 . . . . 25 TRP HD1 . 7108 1 254 . 1 1 25 25 TRP HE1 H 1 10.407 0.02 . 3 . . . . 25 TRP HE1 . 7108 1 255 . 1 1 25 25 TRP HZ2 H 1 7.537 0.02 . 3 . . . . 25 TRP HZ2 . 7108 1 256 . 1 1 25 25 TRP HZ3 H 1 6.849 0.02 . 3 . . . . 25 TRP HZ3 . 7108 1 257 . 1 1 25 25 TRP HH2 H 1 7.220 0.02 . 1 . . . . 25 TRP HH2 . 7108 1 258 . 1 1 25 25 TRP C C 13 171.786 0.30 . 1 . . . . 25 TRP C . 7108 1 259 . 1 1 25 25 TRP CA C 13 54.640 0.30 . 1 . . . . 25 TRP CA . 7108 1 260 . 1 1 25 25 TRP CB C 13 33.170 0.30 . 1 . . . . 25 TRP CB . 7108 1 261 . 1 1 25 25 TRP CD1 C 13 126.956 0.30 . 3 . . . . 25 TRP CD1 . 7108 1 262 . 1 1 25 25 TRP CZ2 C 13 114.996 0.30 . 3 . . . . 25 TRP CZ2 . 7108 1 263 . 1 1 25 25 TRP N N 15 122.100 0.30 . 1 . . . . 25 TRP N . 7108 1 264 . 1 1 25 25 TRP NE1 N 15 130.139 0.30 . 1 . . . . 25 TRP NE1 . 7108 1 265 . 1 1 26 26 ALA H H 1 7.195 0.02 . 1 . . . . 26 ALA HN . 7108 1 266 . 1 1 26 26 ALA HA H 1 3.650 0.02 . 1 . . . . 26 ALA HA . 7108 1 267 . 1 1 26 26 ALA HB1 H 1 0.575 0.02 . 1 . . . . 26 ALA HB . 7108 1 268 . 1 1 26 26 ALA HB2 H 1 0.575 0.02 . 1 . . . . 26 ALA HB . 7108 1 269 . 1 1 26 26 ALA HB3 H 1 0.575 0.02 . 1 . . . . 26 ALA HB . 7108 1 270 . 1 1 26 26 ALA CA C 13 50.870 0.30 . 1 . . . . 26 ALA CA . 7108 1 271 . 1 1 26 26 ALA CB C 13 20.730 0.30 . 1 . . . . 26 ALA CB . 7108 1 272 . 1 1 26 26 ALA N N 15 117.920 0.30 . 1 . . . . 26 ALA N . 7108 1 273 . 1 1 27 27 PRO HA H 1 4.366 0.02 . 1 . . . . 27 PRO HA . 7108 1 274 . 1 1 27 27 PRO HB2 H 1 2.408 0.02 . 2 . . . . 27 PRO HB1 . 7108 1 275 . 1 1 27 27 PRO HB3 H 1 2.057 0.02 . 2 . . . . 27 PRO HB2 . 7108 1 276 . 1 1 27 27 PRO HG2 H 1 1.899 0.02 . 2 . . . . 27 PRO HG1 . 7108 1 277 . 1 1 27 27 PRO HG3 H 1 1.980 0.02 . 2 . . . . 27 PRO HG2 . 7108 1 278 . 1 1 27 27 PRO HD2 H 1 2.674 0.02 . 2 . . . . 27 PRO HD1 . 7108 1 279 . 1 1 27 27 PRO HD3 H 1 3.429 0.02 . 2 . . . . 27 PRO HD2 . 7108 1 280 . 1 1 27 27 PRO C C 13 176.106 0.30 . 1 . . . . 27 PRO C . 7108 1 281 . 1 1 27 27 PRO CA C 13 64.930 0.30 . 1 . . . . 27 PRO CA . 7108 1 282 . 1 1 27 27 PRO CB C 13 32.100 0.30 . 1 . . . . 27 PRO CB . 7108 1 283 . 1 1 27 27 PRO CG C 13 27.349 0.30 . 1 . . . . 27 PRO CG . 7108 1 284 . 1 1 27 27 PRO CD C 13 51.422 0.30 . 1 . . . . 27 PRO CD . 7108 1 285 . 1 1 28 28 TRP H H 1 6.347 0.02 . 1 . . . . 28 TRP HN . 7108 1 286 . 1 1 28 28 TRP HA H 1 4.545 0.02 . 1 . . . . 28 TRP HA . 7108 1 287 . 1 1 28 28 TRP HB2 H 1 3.641 0.02 . 2 . . . . 28 TRP HB1 . 7108 1 288 . 1 1 28 28 TRP HB3 H 1 3.169 0.02 . 2 . . . . 28 TRP HB2 . 7108 1 289 . 1 1 28 28 TRP HD1 H 1 7.413 0.02 . 1 . . . . 28 TRP HD1 . 7108 1 290 . 1 1 28 28 TRP HE1 H 1 11.470 0.02 . 3 . . . . 28 TRP HE1 . 7108 1 291 . 1 1 28 28 TRP C C 13 175.940 0.30 . 1 . . . . 28 TRP C . 7108 1 292 . 1 1 28 28 TRP CA C 13 54.300 0.30 . 1 . . . . 28 TRP CA . 7108 1 293 . 1 1 28 28 TRP CB C 13 29.230 0.30 . 1 . . . . 28 TRP CB . 7108 1 294 . 1 1 28 28 TRP CD1 C 13 128.683 0.30 . 3 . . . . 28 TRP CD1 . 7108 1 295 . 1 1 28 28 TRP N N 15 111.520 0.30 . 1 . . . . 28 TRP N . 7108 1 296 . 1 1 28 28 TRP NE1 N 15 136.020 0.30 . 1 . . . . 28 TRP NE1 . 7108 1 297 . 1 1 29 29 CYS H H 1 6.531 0.02 . 1 . . . . 29 CYS HN . 7108 1 298 . 1 1 29 29 CYS HA H 1 4.432 0.02 . 1 . . . . 29 CYS HA . 7108 1 299 . 1 1 29 29 CYS HB2 H 1 2.323 0.02 . 2 . . . . 29 CYS HB1 . 7108 1 300 . 1 1 29 29 CYS HB3 H 1 1.294 0.02 . 2 . . . . 29 CYS HB2 . 7108 1 301 . 1 1 29 29 CYS C C 13 175.990 0.30 . 1 . . . . 29 CYS C . 7108 1 302 . 1 1 29 29 CYS CA C 13 58.720 0.30 . 1 . . . . 29 CYS CA . 7108 1 303 . 1 1 29 29 CYS CB C 13 27.210 0.30 . 1 . . . . 29 CYS CB . 7108 1 304 . 1 1 29 29 CYS N N 15 122.730 0.30 . 1 . . . . 29 CYS N . 7108 1 305 . 1 1 30 30 GLY H H 1 9.593 0.02 . 1 . . . . 30 GLY HN . 7108 1 306 . 1 1 30 30 GLY HA2 H 1 3.939 0.02 . 2 . . . . 30 GLY HA1 . 7108 1 307 . 1 1 30 30 GLY HA3 H 1 4.295 0.02 . 2 . . . . 30 GLY HA2 . 7108 1 308 . 1 1 30 30 GLY CA C 13 49.280 0.30 . 1 . . . . 30 GLY CA . 7108 1 309 . 1 1 30 30 GLY N N 15 120.620 0.30 . 1 . . . . 30 GLY N . 7108 1 310 . 1 1 31 31 PRO HA H 1 4.451 0.02 . 1 . . . . 31 PRO HA . 7108 1 311 . 1 1 31 31 PRO HB2 H 1 2.523 0.02 . 2 . . . . 31 PRO HB1 . 7108 1 312 . 1 1 31 31 PRO HB3 H 1 1.878 0.02 . 2 . . . . 31 PRO HB2 . 7108 1 313 . 1 1 31 31 PRO HG2 H 1 2.095 0.02 . 2 . . . . 31 PRO HG1 . 7108 1 314 . 1 1 31 31 PRO HG3 H 1 2.290 0.02 . 2 . . . . 31 PRO HG2 . 7108 1 315 . 1 1 31 31 PRO HD2 H 1 3.710 0.02 . 2 . . . . 31 PRO HD2 . 7108 1 316 . 1 1 31 31 PRO C C 13 175.506 0.30 . 1 . . . . 31 PRO C . 7108 1 317 . 1 1 31 31 PRO CA C 13 65.780 0.30 . 1 . . . . 31 PRO CA . 7108 1 318 . 1 1 31 31 PRO CB C 13 32.380 0.30 . 1 . . . . 31 PRO CB . 7108 1 319 . 1 1 31 31 PRO CG C 13 27.952 0.30 . 1 . . . . 31 PRO CG . 7108 1 320 . 1 1 31 31 PRO CD C 13 51.242 0.30 . 1 . . . . 31 PRO CD . 7108 1 321 . 1 1 32 32 CYS H H 1 7.846 0.02 . 1 . . . . 32 CYS HN . 7108 1 322 . 1 1 32 32 CYS HA H 1 4.223 0.02 . 1 . . . . 32 CYS HA . 7108 1 323 . 1 1 32 32 CYS HB2 H 1 3.296 0.02 . 2 . . . . 32 CYS HB1 . 7108 1 324 . 1 1 32 32 CYS HB3 H 1 3.795 0.02 . 2 . . . . 32 CYS HB2 . 7108 1 325 . 1 1 32 32 CYS C C 13 177.375 0.30 . 1 . . . . 32 CYS C . 7108 1 326 . 1 1 32 32 CYS CA C 13 63.890 0.30 . 1 . . . . 32 CYS CA . 7108 1 327 . 1 1 32 32 CYS CB C 13 28.370 0.30 . 1 . . . . 32 CYS CB . 7108 1 328 . 1 1 32 32 CYS N N 15 114.970 0.30 . 1 . . . . 32 CYS N . 7108 1 329 . 1 1 33 33 LYS H H 1 7.997 0.02 . 1 . . . . 33 LYS HN . 7108 1 330 . 1 1 33 33 LYS HA H 1 4.139 0.02 . 1 . . . . 33 LYS HA . 7108 1 331 . 1 1 33 33 LYS HB2 H 1 2.098 0.02 . 2 . . . . 33 LYS HB1 . 7108 1 332 . 1 1 33 33 LYS HB3 H 1 1.950 0.02 . 2 . . . . 33 LYS HB2 . 7108 1 333 . 1 1 33 33 LYS HG2 H 1 1.514 0.02 . 2 . . . . 33 LYS HG1 . 7108 1 334 . 1 1 33 33 LYS HG3 H 1 1.578 0.02 . 2 . . . . 33 LYS HG2 . 7108 1 335 . 1 1 33 33 LYS HD2 H 1 1.521 0.02 . 2 . . . . 33 LYS HD1 . 7108 1 336 . 1 1 33 33 LYS HD3 H 1 1.762 0.02 . 2 . . . . 33 LYS HD2 . 7108 1 337 . 1 1 33 33 LYS HE2 H 1 2.816 0.02 . 2 . . . . 33 LYS HE1 . 7108 1 338 . 1 1 33 33 LYS HE3 H 1 3.008 0.02 . 2 . . . . 33 LYS HE2 . 7108 1 339 . 1 1 33 33 LYS C C 13 179.369 0.30 . 1 . . . . 33 LYS C . 7108 1 340 . 1 1 33 33 LYS CA C 13 59.240 0.30 . 1 . . . . 33 LYS CA . 7108 1 341 . 1 1 33 33 LYS CB C 13 31.780 0.30 . 1 . . . . 33 LYS CB . 7108 1 342 . 1 1 33 33 LYS CG C 13 25.316 0.30 . 1 . . . . 33 LYS CG . 7108 1 343 . 1 1 33 33 LYS CD C 13 29.502 0.30 . 1 . . . . 33 LYS CD . 7108 1 344 . 1 1 33 33 LYS CE C 13 42.198 0.30 . 1 . . . . 33 LYS CE . 7108 1 345 . 1 1 33 33 LYS N N 15 121.400 0.30 . 1 . . . . 33 LYS N . 7108 1 346 . 1 1 34 34 MET H H 1 7.778 0.02 . 1 . . . . 34 MET HN . 7108 1 347 . 1 1 34 34 MET HA H 1 4.239 0.02 . 1 . . . . 34 MET HA . 7108 1 348 . 1 1 34 34 MET HB2 H 1 1.990 0.02 . 2 . . . . 34 MET HB1 . 7108 1 349 . 1 1 34 34 MET HB3 H 1 1.835 0.02 . 2 . . . . 34 MET HB2 . 7108 1 350 . 1 1 34 34 MET HG2 H 1 2.358 0.02 . 2 . . . . 34 MET HG1 . 7108 1 351 . 1 1 34 34 MET HG3 H 1 2.447 0.02 . 2 . . . . 34 MET HG2 . 7108 1 352 . 1 1 34 34 MET HE1 H 1 2.048 0.02 . 1 . . . . 34 MET HE . 7108 1 353 . 1 1 34 34 MET HE2 H 1 2.048 0.02 . 1 . . . . 34 MET HE . 7108 1 354 . 1 1 34 34 MET HE3 H 1 2.048 0.02 . 1 . . . . 34 MET HE . 7108 1 355 . 1 1 34 34 MET C C 13 178.135 0.30 . 1 . . . . 34 MET C . 7108 1 356 . 1 1 34 34 MET CA C 13 57.600 0.30 . 1 . . . . 34 MET CA . 7108 1 357 . 1 1 34 34 MET CB C 13 32.980 0.30 . 1 . . . . 34 MET CB . 7108 1 358 . 1 1 34 34 MET CG C 13 31.764 0.30 . 1 . . . . 34 MET CG . 7108 1 359 . 1 1 34 34 MET CE C 13 16.920 0.30 . 1 . . . . 34 MET CE . 7108 1 360 . 1 1 34 34 MET N N 15 116.350 0.30 . 1 . . . . 34 MET N . 7108 1 361 . 1 1 35 35 ILE H H 1 7.668 0.02 . 1 . . . . 35 ILE HN . 7108 1 362 . 1 1 35 35 ILE HA H 1 4.376 0.02 . 1 . . . . 35 ILE HA . 7108 1 363 . 1 1 35 35 ILE HB H 1 2.039 0.02 . 1 . . . . 35 ILE HB . 7108 1 364 . 1 1 35 35 ILE HG12 H 1 1.523 0.02 . 1 . . . . 35 ILE HG11 . 7108 1 365 . 1 1 35 35 ILE HG13 H 1 1.681 0.02 . 1 . . . . 35 ILE HG12 . 7108 1 366 . 1 1 35 35 ILE HG21 H 1 0.987 0.02 . 1 . . . . 35 ILE HG2 . 7108 1 367 . 1 1 35 35 ILE HG22 H 1 0.987 0.02 . 1 . . . . 35 ILE HG2 . 7108 1 368 . 1 1 35 35 ILE HG23 H 1 0.987 0.02 . 1 . . . . 35 ILE HG2 . 7108 1 369 . 1 1 35 35 ILE HD11 H 1 0.887 0.02 . 1 . . . . 35 ILE HD1 . 7108 1 370 . 1 1 35 35 ILE HD12 H 1 0.887 0.02 . 1 . . . . 35 ILE HD1 . 7108 1 371 . 1 1 35 35 ILE HD13 H 1 0.887 0.02 . 1 . . . . 35 ILE HD1 . 7108 1 372 . 1 1 35 35 ILE C C 13 176.465 0.30 . 1 . . . . 35 ILE C . 7108 1 373 . 1 1 35 35 ILE CA C 13 62.370 0.30 . 1 . . . . 35 ILE CA . 7108 1 374 . 1 1 35 35 ILE CB C 13 39.640 0.30 . 1 . . . . 35 ILE CB . 7108 1 375 . 1 1 35 35 ILE CG1 C 13 29.979 0.30 . 2 . . . . 35 ILE CG1 . 7108 1 376 . 1 1 35 35 ILE CG2 C 13 16.630 0.30 . 1 . . . . 35 ILE CG2 . 7108 1 377 . 1 1 35 35 ILE CD1 C 13 14.580 0.30 . 1 . . . . 35 ILE CD1 . 7108 1 378 . 1 1 35 35 ILE N N 15 117.110 0.30 . 1 . . . . 35 ILE N . 7108 1 379 . 1 1 36 36 ALA H H 1 7.256 0.02 . 1 . . . . 36 ALA HN . 7108 1 380 . 1 1 36 36 ALA HA H 1 3.926 0.02 . 1 . . . . 36 ALA HA . 7108 1 381 . 1 1 36 36 ALA HB1 H 1 1.376 0.02 . 1 . . . . 36 ALA HB . 7108 1 382 . 1 1 36 36 ALA HB2 H 1 1.376 0.02 . 1 . . . . 36 ALA HB . 7108 1 383 . 1 1 36 36 ALA HB3 H 1 1.376 0.02 . 1 . . . . 36 ALA HB . 7108 1 384 . 1 1 36 36 ALA CA C 13 57.650 0.30 . 1 . . . . 36 ALA CA . 7108 1 385 . 1 1 36 36 ALA CB C 13 15.270 0.30 . 1 . . . . 36 ALA CB . 7108 1 386 . 1 1 36 36 ALA N N 15 124.620 0.30 . 1 . . . . 36 ALA N . 7108 1 387 . 1 1 37 37 PRO HA H 1 4.383 0.02 . 1 . . . . 37 PRO HA . 7108 1 388 . 1 1 37 37 PRO HB2 H 1 2.312 0.02 . 2 . . . . 37 PRO HB1 . 7108 1 389 . 1 1 37 37 PRO HB3 H 1 1.970 0.02 . 2 . . . . 37 PRO HB2 . 7108 1 390 . 1 1 37 37 PRO HG2 H 1 2.048 0.02 . 2 . . . . 37 PRO HG2 . 7108 1 391 . 1 1 37 37 PRO HD2 H 1 3.600 0.02 . 2 . . . . 37 PRO HD1 . 7108 1 392 . 1 1 37 37 PRO HD3 H 1 3.958 0.02 . 2 . . . . 37 PRO HD2 . 7108 1 393 . 1 1 37 37 PRO C C 13 179.314 0.30 . 1 . . . . 37 PRO C . 7108 1 394 . 1 1 37 37 PRO CA C 13 65.460 0.30 . 1 . . . . 37 PRO CA . 7108 1 395 . 1 1 37 37 PRO CB C 13 31.010 0.30 . 1 . . . . 37 PRO CB . 7108 1 396 . 1 1 37 37 PRO CG C 13 28.008 0.30 . 1 . . . . 37 PRO CG . 7108 1 397 . 1 1 37 37 PRO CD C 13 50.668 0.30 . 1 . . . . 37 PRO CD . 7108 1 398 . 1 1 38 38 VAL H H 1 6.832 0.02 . 1 . . . . 38 VAL HN . 7108 1 399 . 1 1 38 38 VAL HA H 1 3.806 0.02 . 1 . . . . 38 VAL HA . 7108 1 400 . 1 1 38 38 VAL HB H 1 2.420 0.02 . 1 . . . . 38 VAL HB . 7108 1 401 . 1 1 38 38 VAL HG11 H 1 0.855 0.02 . 2 . . . . 38 VAL HG1 . 7108 1 402 . 1 1 38 38 VAL HG12 H 1 0.855 0.02 . 2 . . . . 38 VAL HG1 . 7108 1 403 . 1 1 38 38 VAL HG13 H 1 0.855 0.02 . 2 . . . . 38 VAL HG1 . 7108 1 404 . 1 1 38 38 VAL HG21 H 1 1.274 0.02 . 2 . . . . 38 VAL HG2 . 7108 1 405 . 1 1 38 38 VAL HG22 H 1 1.274 0.02 . 2 . . . . 38 VAL HG2 . 7108 1 406 . 1 1 38 38 VAL HG23 H 1 1.274 0.02 . 2 . . . . 38 VAL HG2 . 7108 1 407 . 1 1 38 38 VAL C C 13 178.380 0.30 . 1 . . . . 38 VAL C . 7108 1 408 . 1 1 38 38 VAL CA C 13 65.780 0.30 . 1 . . . . 38 VAL CA . 7108 1 409 . 1 1 38 38 VAL CB C 13 31.340 0.30 . 1 . . . . 38 VAL CB . 7108 1 410 . 1 1 38 38 VAL CG1 C 13 21.502 0.30 . 1 . . . . 38 VAL CG1 . 7108 1 411 . 1 1 38 38 VAL CG2 C 13 22.097 0.30 . 1 . . . . 38 VAL CG2 . 7108 1 412 . 1 1 38 38 VAL N N 15 119.830 0.30 . 1 . . . . 38 VAL N . 7108 1 413 . 1 1 39 39 LEU H H 1 7.721 0.02 . 1 . . . . 39 LEU HN . 7108 1 414 . 1 1 39 39 LEU HA H 1 3.856 0.02 . 1 . . . . 39 LEU HA . 7108 1 415 . 1 1 39 39 LEU HB2 H 1 1.980 0.02 . 2 . . . . 39 LEU HB1 . 7108 1 416 . 1 1 39 39 LEU HB3 H 1 1.248 0.02 . 2 . . . . 39 LEU HB2 . 7108 1 417 . 1 1 39 39 LEU HG H 1 1.753 0.02 . 1 . . . . 39 LEU HG . 7108 1 418 . 1 1 39 39 LEU HD11 H 1 0.624 0.02 . 2 . . . . 39 LEU HD1 . 7108 1 419 . 1 1 39 39 LEU HD12 H 1 0.624 0.02 . 2 . . . . 39 LEU HD1 . 7108 1 420 . 1 1 39 39 LEU HD13 H 1 0.624 0.02 . 2 . . . . 39 LEU HD1 . 7108 1 421 . 1 1 39 39 LEU HD21 H 1 0.656 0.02 . 2 . . . . 39 LEU HD2 . 7108 1 422 . 1 1 39 39 LEU HD22 H 1 0.656 0.02 . 2 . . . . 39 LEU HD2 . 7108 1 423 . 1 1 39 39 LEU HD23 H 1 0.656 0.02 . 2 . . . . 39 LEU HD2 . 7108 1 424 . 1 1 39 39 LEU C C 13 178.735 0.30 . 1 . . . . 39 LEU C . 7108 1 425 . 1 1 39 39 LEU CA C 13 57.610 0.30 . 1 . . . . 39 LEU CA . 7108 1 426 . 1 1 39 39 LEU CB C 13 40.600 0.30 . 1 . . . . 39 LEU CB . 7108 1 427 . 1 1 39 39 LEU CG C 13 26.199 0.30 . 1 . . . . 39 LEU CG . 7108 1 428 . 1 1 39 39 LEU CD1 C 13 22.459 0.30 . 1 . . . . 39 LEU CD1 . 7108 1 429 . 1 1 39 39 LEU CD2 C 13 26.208 0.30 . 1 . . . . 39 LEU CD2 . 7108 1 430 . 1 1 39 39 LEU N N 15 117.610 0.30 . 1 . . . . 39 LEU N . 7108 1 431 . 1 1 40 40 GLU H H 1 7.370 0.02 . 1 . . . . 40 GLU HN . 7108 1 432 . 1 1 40 40 GLU HA H 1 3.924 0.02 . 1 . . . . 40 GLU HA . 7108 1 433 . 1 1 40 40 GLU HB2 H 1 2.080 0.02 . 2 . . . . 40 GLU HB2 . 7108 1 434 . 1 1 40 40 GLU HG2 H 1 2.181 0.02 . 2 . . . . 40 GLU HG1 . 7108 1 435 . 1 1 40 40 GLU HG3 H 1 2.296 0.02 . 2 . . . . 40 GLU HG2 . 7108 1 436 . 1 1 40 40 GLU C C 13 179.228 0.30 . 1 . . . . 40 GLU C . 7108 1 437 . 1 1 40 40 GLU CA C 13 59.670 0.30 . 1 . . . . 40 GLU CA . 7108 1 438 . 1 1 40 40 GLU CB C 13 28.760 0.30 . 1 . . . . 40 GLU CB . 7108 1 439 . 1 1 40 40 GLU CG C 13 36.274 0.30 . 1 . . . . 40 GLU CG . 7108 1 440 . 1 1 40 40 GLU N N 15 117.300 0.30 . 1 . . . . 40 GLU N . 7108 1 441 . 1 1 41 41 GLU H H 1 7.742 0.02 . 1 . . . . 41 GLU HN . 7108 1 442 . 1 1 41 41 GLU HA H 1 4.040 0.02 . 1 . . . . 41 GLU HA . 7108 1 443 . 1 1 41 41 GLU HB2 H 1 2.232 0.02 . 2 . . . . 41 GLU HB1 . 7108 1 444 . 1 1 41 41 GLU HB3 H 1 2.003 0.02 . 2 . . . . 41 GLU HB2 . 7108 1 445 . 1 1 41 41 GLU HG2 H 1 2.154 0.02 . 2 . . . . 41 GLU HG1 . 7108 1 446 . 1 1 41 41 GLU HG3 H 1 2.537 0.02 . 2 . . . . 41 GLU HG2 . 7108 1 447 . 1 1 41 41 GLU C C 13 179.353 0.30 . 1 . . . . 41 GLU C . 7108 1 448 . 1 1 41 41 GLU CA C 13 59.800 0.30 . 1 . . . . 41 GLU CA . 7108 1 449 . 1 1 41 41 GLU CB C 13 29.800 0.30 . 1 . . . . 41 GLU CB . 7108 1 450 . 1 1 41 41 GLU CG C 13 36.800 0.30 . 1 . . . . 41 GLU CG . 7108 1 451 . 1 1 41 41 GLU N N 15 120.260 0.30 . 1 . . . . 41 GLU N . 7108 1 452 . 1 1 42 42 LEU H H 1 8.320 0.02 . 1 . . . . 42 LEU HN . 7108 1 453 . 1 1 42 42 LEU HA H 1 3.901 0.02 . 1 . . . . 42 LEU HA . 7108 1 454 . 1 1 42 42 LEU HB2 H 1 1.589 0.02 . 2 . . . . 42 LEU HB2 . 7108 1 455 . 1 1 42 42 LEU HG H 1 1.589 0.02 . 1 . . . . 42 LEU HG . 7108 1 456 . 1 1 42 42 LEU HD11 H 1 0.722 0.02 . 2 . . . . 42 LEU HD1 . 7108 1 457 . 1 1 42 42 LEU HD12 H 1 0.722 0.02 . 2 . . . . 42 LEU HD1 . 7108 1 458 . 1 1 42 42 LEU HD13 H 1 0.722 0.02 . 2 . . . . 42 LEU HD1 . 7108 1 459 . 1 1 42 42 LEU HD21 H 1 0.673 0.02 . 2 . . . . 42 LEU HD2 . 7108 1 460 . 1 1 42 42 LEU HD22 H 1 0.673 0.02 . 2 . . . . 42 LEU HD2 . 7108 1 461 . 1 1 42 42 LEU HD23 H 1 0.673 0.02 . 2 . . . . 42 LEU HD2 . 7108 1 462 . 1 1 42 42 LEU C C 13 178.489 0.30 . 1 . . . . 42 LEU C . 7108 1 463 . 1 1 42 42 LEU CA C 13 58.200 0.30 . 1 . . . . 42 LEU CA . 7108 1 464 . 1 1 42 42 LEU CB C 13 42.360 0.30 . 1 . . . . 42 LEU CB . 7108 1 465 . 1 1 42 42 LEU CG C 13 26.749 0.30 . 1 . . . . 42 LEU CG . 7108 1 466 . 1 1 42 42 LEU CD1 C 13 25.030 0.30 . 1 . . . . 42 LEU CD1 . 7108 1 467 . 1 1 42 42 LEU CD2 C 13 25.106 0.30 . 1 . . . . 42 LEU CD2 . 7108 1 468 . 1 1 42 42 LEU N N 15 120.070 0.30 . 1 . . . . 42 LEU N . 7108 1 469 . 1 1 43 43 ASP H H 1 8.374 0.02 . 1 . . . . 43 ASP HN . 7108 1 470 . 1 1 43 43 ASP HA H 1 4.243 0.02 . 1 . . . . 43 ASP HA . 7108 1 471 . 1 1 43 43 ASP HB2 H 1 2.696 0.02 . 2 . . . . 43 ASP HB1 . 7108 1 472 . 1 1 43 43 ASP HB3 H 1 2.621 0.02 . 2 . . . . 43 ASP HB2 . 7108 1 473 . 1 1 43 43 ASP C C 13 178.633 0.30 . 1 . . . . 43 ASP C . 7108 1 474 . 1 1 43 43 ASP CA C 13 57.610 0.30 . 1 . . . . 43 ASP CA . 7108 1 475 . 1 1 43 43 ASP CB C 13 42.650 0.30 . 1 . . . . 43 ASP CB . 7108 1 476 . 1 1 43 43 ASP N N 15 118.940 0.30 . 1 . . . . 43 ASP N . 7108 1 477 . 1 1 44 44 GLN H H 1 7.735 0.02 . 1 . . . . 44 GLN HN . 7108 1 478 . 1 1 44 44 GLN HA H 1 4.000 0.02 . 1 . . . . 44 GLN HA . 7108 1 479 . 1 1 44 44 GLN HB2 H 1 2.195 0.02 . 2 . . . . 44 GLN HB1 . 7108 1 480 . 1 1 44 44 GLN HB3 H 1 2.257 0.02 . 2 . . . . 44 GLN HB2 . 7108 1 481 . 1 1 44 44 GLN HG2 H 1 2.480 0.02 . 2 . . . . 44 GLN HG1 . 7108 1 482 . 1 1 44 44 GLN HG3 H 1 2.556 0.02 . 2 . . . . 44 GLN HG2 . 7108 1 483 . 1 1 44 44 GLN HE21 H 1 7.534 0.02 . 2 . . . . 44 GLN HE21 . 7108 1 484 . 1 1 44 44 GLN HE22 H 1 6.823 0.02 . 2 . . . . 44 GLN HE22 . 7108 1 485 . 1 1 44 44 GLN C C 13 178.289 0.30 . 1 . . . . 44 GLN C . 7108 1 486 . 1 1 44 44 GLN CA C 13 58.740 0.30 . 1 . . . . 44 GLN CA . 7108 1 487 . 1 1 44 44 GLN CB C 13 28.450 0.30 . 1 . . . . 44 GLN CB . 7108 1 488 . 1 1 44 44 GLN CG C 13 34.082 0.30 . 1 . . . . 44 GLN CG . 7108 1 489 . 1 1 44 44 GLN N N 15 117.250 0.30 . 1 . . . . 44 GLN N . 7108 1 490 . 1 1 44 44 GLN NE2 N 15 112.089 0.30 . 1 . . . . 44 GLN NE2 . 7108 1 491 . 1 1 45 45 GLU H H 1 7.842 0.02 . 1 . . . . 45 GLU HN . 7108 1 492 . 1 1 45 45 GLU HA H 1 4.196 0.02 . 1 . . . . 45 GLU HA . 7108 1 493 . 1 1 45 45 GLU HB2 H 1 2.037 0.02 . 2 . . . . 45 GLU HB2 . 7108 1 494 . 1 1 45 45 GLU HG2 H 1 2.235 0.02 . 2 . . . . 45 GLU HG1 . 7108 1 495 . 1 1 45 45 GLU HG3 H 1 2.428 0.02 . 2 . . . . 45 GLU HG2 . 7108 1 496 . 1 1 45 45 GLU C C 13 178.524 0.30 . 1 . . . . 45 GLU C . 7108 1 497 . 1 1 45 45 GLU CA C 13 58.530 0.30 . 1 . . . . 45 GLU CA . 7108 1 498 . 1 1 45 45 GLU CB C 13 31.040 0.30 . 1 . . . . 45 GLU CB . 7108 1 499 . 1 1 45 45 GLU CG C 13 36.262 0.30 . 1 . . . . 45 GLU CG . 7108 1 500 . 1 1 45 45 GLU N N 15 117.020 0.30 . 1 . . . . 45 GLU N . 7108 1 501 . 1 1 46 46 MET H H 1 8.610 0.02 . 1 . . . . 46 MET HN . 7108 1 502 . 1 1 46 46 MET HA H 1 4.753 0.02 . 1 . . . . 46 MET HA . 7108 1 503 . 1 1 46 46 MET HB2 H 1 2.146 0.02 . 2 . . . . 46 MET HB1 . 7108 1 504 . 1 1 46 46 MET HB3 H 1 2.098 0.02 . 2 . . . . 46 MET HB2 . 7108 1 505 . 1 1 46 46 MET HG2 H 1 2.464 0.02 . 2 . . . . 46 MET HG1 . 7108 1 506 . 1 1 46 46 MET HG3 H 1 2.558 0.02 . 2 . . . . 46 MET HG2 . 7108 1 507 . 1 1 46 46 MET HE1 H 1 2.034 0.02 . 1 . . . . 46 MET HE . 7108 1 508 . 1 1 46 46 MET HE2 H 1 2.034 0.02 . 1 . . . . 46 MET HE . 7108 1 509 . 1 1 46 46 MET HE3 H 1 2.034 0.02 . 1 . . . . 46 MET HE . 7108 1 510 . 1 1 46 46 MET C C 13 177.556 0.30 . 1 . . . . 46 MET C . 7108 1 511 . 1 1 46 46 MET CA C 13 55.710 0.30 . 1 . . . . 46 MET CA . 7108 1 512 . 1 1 46 46 MET CB C 13 33.720 0.30 . 1 . . . . 46 MET CB . 7108 1 513 . 1 1 46 46 MET CG C 13 32.286 0.30 . 1 . . . . 46 MET CG . 7108 1 514 . 1 1 46 46 MET CE C 13 17.440 0.30 . 1 . . . . 46 MET CE . 7108 1 515 . 1 1 46 46 MET N N 15 114.860 0.30 . 1 . . . . 46 MET N . 7108 1 516 . 1 1 47 47 GLY H H 1 8.102 0.02 . 1 . . . . 47 GLY HN . 7108 1 517 . 1 1 47 47 GLY HA2 H 1 4.196 0.02 . 2 . . . . 47 GLY HA1 . 7108 1 518 . 1 1 47 47 GLY HA3 H 1 4.101 0.02 . 2 . . . . 47 GLY HA2 . 7108 1 519 . 1 1 47 47 GLY C C 13 174.272 0.30 . 1 . . . . 47 GLY C . 7108 1 520 . 1 1 47 47 GLY CA C 13 47.520 0.30 . 1 . . . . 47 GLY CA . 7108 1 521 . 1 1 47 47 GLY N N 15 110.410 0.30 . 1 . . . . 47 GLY N . 7108 1 522 . 1 1 48 48 ASP H H 1 8.636 0.02 . 1 . . . . 48 ASP HN . 7108 1 523 . 1 1 48 48 ASP HA H 1 4.525 0.02 . 1 . . . . 48 ASP HA . 7108 1 524 . 1 1 48 48 ASP HB2 H 1 2.733 0.02 . 2 . . . . 48 ASP HB2 . 7108 1 525 . 1 1 48 48 ASP C C 13 177.081 0.30 . 1 . . . . 48 ASP C . 7108 1 526 . 1 1 48 48 ASP CA C 13 55.240 0.30 . 1 . . . . 48 ASP CA . 7108 1 527 . 1 1 48 48 ASP CB C 13 39.780 0.30 . 1 . . . . 48 ASP CB . 7108 1 528 . 1 1 48 48 ASP N N 15 118.160 0.30 . 1 . . . . 48 ASP N . 7108 1 529 . 1 1 49 49 LYS H H 1 7.967 0.02 . 1 . . . . 49 LYS HN . 7108 1 530 . 1 1 49 49 LYS HA H 1 4.388 0.02 . 1 . . . . 49 LYS HA . 7108 1 531 . 1 1 49 49 LYS HB2 H 1 1.915 0.02 . 2 . . . . 49 LYS HB1 . 7108 1 532 . 1 1 49 49 LYS HB3 H 1 1.774 0.02 . 2 . . . . 49 LYS HB2 . 7108 1 533 . 1 1 49 49 LYS HG2 H 1 1.486 0.02 . 2 . . . . 49 LYS HG2 . 7108 1 534 . 1 1 49 49 LYS HD2 H 1 1.714 0.02 . 2 . . . . 49 LYS HD2 . 7108 1 535 . 1 1 49 49 LYS HE2 H 1 3.024 0.02 . 2 . . . . 49 LYS HE2 . 7108 1 536 . 1 1 49 49 LYS C C 13 174.613 0.30 . 1 . . . . 49 LYS C . 7108 1 537 . 1 1 49 49 LYS CA C 13 56.840 0.30 . 1 . . . . 49 LYS CA . 7108 1 538 . 1 1 49 49 LYS CB C 13 34.420 0.30 . 1 . . . . 49 LYS CB . 7108 1 539 . 1 1 49 49 LYS CG C 13 24.811 0.30 . 1 . . . . 49 LYS CG . 7108 1 540 . 1 1 49 49 LYS CD C 13 29.316 0.30 . 1 . . . . 49 LYS CD . 7108 1 541 . 1 1 49 49 LYS CE C 13 42.065 0.30 . 1 . . . . 49 LYS CE . 7108 1 542 . 1 1 49 49 LYS N N 15 118.000 0.30 . 1 . . . . 49 LYS N . 7108 1 543 . 1 1 50 50 LEU H H 1 7.682 0.02 . 1 . . . . 50 LEU HN . 7108 1 544 . 1 1 50 50 LEU HA H 1 4.597 0.02 . 1 . . . . 50 LEU HA . 7108 1 545 . 1 1 50 50 LEU HB2 H 1 1.106 0.02 . 2 . . . . 50 LEU HB1 . 7108 1 546 . 1 1 50 50 LEU HB3 H 1 1.724 0.02 . 2 . . . . 50 LEU HB2 . 7108 1 547 . 1 1 50 50 LEU HG H 1 1.387 0.02 . 1 . . . . 50 LEU HG . 7108 1 548 . 1 1 50 50 LEU HD11 H 1 0.812 0.02 . 2 . . . . 50 LEU HD1 . 7108 1 549 . 1 1 50 50 LEU HD12 H 1 0.812 0.02 . 2 . . . . 50 LEU HD1 . 7108 1 550 . 1 1 50 50 LEU HD13 H 1 0.812 0.02 . 2 . . . . 50 LEU HD1 . 7108 1 551 . 1 1 50 50 LEU HD21 H 1 0.780 0.02 . 2 . . . . 50 LEU HD2 . 7108 1 552 . 1 1 50 50 LEU HD22 H 1 0.780 0.02 . 2 . . . . 50 LEU HD2 . 7108 1 553 . 1 1 50 50 LEU HD23 H 1 0.780 0.02 . 2 . . . . 50 LEU HD2 . 7108 1 554 . 1 1 50 50 LEU C C 13 173.497 0.30 . 1 . . . . 50 LEU C . 7108 1 555 . 1 1 50 50 LEU CA C 13 53.700 0.30 . 1 . . . . 50 LEU CA . 7108 1 556 . 1 1 50 50 LEU CB C 13 46.260 0.30 . 1 . . . . 50 LEU CB . 7108 1 557 . 1 1 50 50 LEU CG C 13 27.032 0.30 . 1 . . . . 50 LEU CG . 7108 1 558 . 1 1 50 50 LEU CD1 C 13 23.883 0.30 . 1 . . . . 50 LEU CD1 . 7108 1 559 . 1 1 50 50 LEU CD2 C 13 27.001 0.30 . 1 . . . . 50 LEU CD2 . 7108 1 560 . 1 1 50 50 LEU N N 15 119.290 0.30 . 1 . . . . 50 LEU N . 7108 1 561 . 1 1 51 51 LYS H H 1 7.621 0.02 . 1 . . . . 51 LYS HN . 7108 1 562 . 1 1 51 51 LYS HA H 1 4.739 0.02 . 1 . . . . 51 LYS HA . 7108 1 563 . 1 1 51 51 LYS HB2 H 1 1.724 0.02 . 2 . . . . 51 LYS HB1 . 7108 1 564 . 1 1 51 51 LYS HB3 H 1 1.803 0.02 . 2 . . . . 51 LYS HB2 . 7108 1 565 . 1 1 51 51 LYS HG2 H 1 1.441 0.02 . 2 . . . . 51 LYS HG1 . 7108 1 566 . 1 1 51 51 LYS HG3 H 1 1.140 0.02 . 2 . . . . 51 LYS HG2 . 7108 1 567 . 1 1 51 51 LYS HD2 H 1 1.643 0.02 . 2 . . . . 51 LYS HD2 . 7108 1 568 . 1 1 51 51 LYS HE2 H 1 2.797 0.02 . 2 . . . . 51 LYS HE1 . 7108 1 569 . 1 1 51 51 LYS HE3 H 1 2.957 0.02 . 2 . . . . 51 LYS HE2 . 7108 1 570 . 1 1 51 51 LYS C C 13 174.320 0.30 . 1 . . . . 51 LYS C . 7108 1 571 . 1 1 51 51 LYS CA C 13 55.160 0.30 . 1 . . . . 51 LYS CA . 7108 1 572 . 1 1 51 51 LYS CB C 13 34.890 0.30 . 1 . . . . 51 LYS CB . 7108 1 573 . 1 1 51 51 LYS CG C 13 25.093 0.30 . 1 . . . . 51 LYS CG . 7108 1 574 . 1 1 51 51 LYS CD C 13 29.933 0.30 . 1 . . . . 51 LYS CD . 7108 1 575 . 1 1 51 51 LYS CE C 13 42.190 0.30 . 1 . . . . 51 LYS CE . 7108 1 576 . 1 1 51 51 LYS N N 15 125.760 0.30 . 1 . . . . 51 LYS N . 7108 1 577 . 1 1 52 52 ILE H H 1 8.930 0.02 . 1 . . . . 52 ILE HN . 7108 1 578 . 1 1 52 52 ILE HA H 1 5.157 0.02 . 1 . . . . 52 ILE HA . 7108 1 579 . 1 1 52 52 ILE HB H 1 1.756 0.02 . 1 . . . . 52 ILE HB . 7108 1 580 . 1 1 52 52 ILE HG12 H 1 0.865 0.02 . 1 . . . . 52 ILE HG11 . 7108 1 581 . 1 1 52 52 ILE HG13 H 1 1.687 0.02 . 1 . . . . 52 ILE HG12 . 7108 1 582 . 1 1 52 52 ILE HG21 H 1 0.765 0.02 . 1 . . . . 52 ILE HG2 . 7108 1 583 . 1 1 52 52 ILE HG22 H 1 0.765 0.02 . 1 . . . . 52 ILE HG2 . 7108 1 584 . 1 1 52 52 ILE HG23 H 1 0.765 0.02 . 1 . . . . 52 ILE HG2 . 7108 1 585 . 1 1 52 52 ILE HD11 H 1 0.792 0.02 . 1 . . . . 52 ILE HD1 . 7108 1 586 . 1 1 52 52 ILE HD12 H 1 0.792 0.02 . 1 . . . . 52 ILE HD1 . 7108 1 587 . 1 1 52 52 ILE HD13 H 1 0.792 0.02 . 1 . . . . 52 ILE HD1 . 7108 1 588 . 1 1 52 52 ILE C C 13 174.692 0.30 . 1 . . . . 52 ILE C . 7108 1 589 . 1 1 52 52 ILE CA C 13 60.120 0.30 . 1 . . . . 52 ILE CA . 7108 1 590 . 1 1 52 52 ILE CB C 13 39.130 0.30 . 1 . . . . 52 ILE CB . 7108 1 591 . 1 1 52 52 ILE CG1 C 13 28.282 0.30 . 2 . . . . 52 ILE CG1 . 7108 1 592 . 1 1 52 52 ILE CG2 C 13 17.591 0.30 . 1 . . . . 52 ILE CG2 . 7108 1 593 . 1 1 52 52 ILE CD1 C 13 14.733 0.30 . 1 . . . . 52 ILE CD1 . 7108 1 594 . 1 1 52 52 ILE N N 15 127.970 0.30 . 1 . . . . 52 ILE N . 7108 1 595 . 1 1 53 53 VAL H H 1 8.949 0.02 . 1 . . . . 53 VAL HN . 7108 1 596 . 1 1 53 53 VAL HA H 1 5.091 0.02 . 1 . . . . 53 VAL HA . 7108 1 597 . 1 1 53 53 VAL HB H 1 1.480 0.02 . 1 . . . . 53 VAL HB . 7108 1 598 . 1 1 53 53 VAL HG21 H 1 0.543 0.02 . 2 . . . . 53 VAL HG2 . 7108 1 599 . 1 1 53 53 VAL HG22 H 1 0.543 0.02 . 2 . . . . 53 VAL HG2 . 7108 1 600 . 1 1 53 53 VAL HG23 H 1 0.543 0.02 . 2 . . . . 53 VAL HG2 . 7108 1 601 . 1 1 53 53 VAL C C 13 174.519 0.30 . 1 . . . . 53 VAL C . 7108 1 602 . 1 1 53 53 VAL CA C 13 58.920 0.30 . 1 . . . . 53 VAL CA . 7108 1 603 . 1 1 53 53 VAL CB C 13 34.710 0.30 . 1 . . . . 53 VAL CB . 7108 1 604 . 1 1 53 53 VAL CG2 C 13 21.920 0.30 . 1 . . . . 53 VAL CG2 . 7108 1 605 . 1 1 53 53 VAL N N 15 125.010 0.30 . 1 . . . . 53 VAL N . 7108 1 606 . 1 1 54 54 LYS H H 1 8.962 0.02 . 1 . . . . 54 LYS HN . 7108 1 607 . 1 1 54 54 LYS HA H 1 5.142 0.02 . 1 . . . . 54 LYS HA . 7108 1 608 . 1 1 54 54 LYS HB2 H 1 1.724 0.02 . 2 . . . . 54 LYS HB1 . 7108 1 609 . 1 1 54 54 LYS HB3 H 1 1.599 0.02 . 2 . . . . 54 LYS HB2 . 7108 1 610 . 1 1 54 54 LYS HG2 H 1 1.349 0.02 . 2 . . . . 54 LYS HG1 . 7108 1 611 . 1 1 54 54 LYS HG3 H 1 1.145 0.02 . 2 . . . . 54 LYS HG2 . 7108 1 612 . 1 1 54 54 LYS HD2 H 1 1.072 0.02 . 2 . . . . 54 LYS HD1 . 7108 1 613 . 1 1 54 54 LYS HD3 H 1 1.270 0.02 . 2 . . . . 54 LYS HD2 . 7108 1 614 . 1 1 54 54 LYS HE2 H 1 2.070 0.02 . 2 . . . . 54 LYS HE2 . 7108 1 615 . 1 1 54 54 LYS C C 13 175.093 0.30 . 1 . . . . 54 LYS C . 7108 1 616 . 1 1 54 54 LYS CA C 13 55.020 0.30 . 1 . . . . 54 LYS CA . 7108 1 617 . 1 1 54 54 LYS CB C 13 35.160 0.30 . 1 . . . . 54 LYS CB . 7108 1 618 . 1 1 54 54 LYS CG C 13 24.615 0.30 . 1 . . . . 54 LYS CG . 7108 1 619 . 1 1 54 54 LYS CD C 13 29.552 0.30 . 1 . . . . 54 LYS CD . 7108 1 620 . 1 1 54 54 LYS CE C 13 41.022 0.30 . 1 . . . . 54 LYS CE . 7108 1 621 . 1 1 54 54 LYS N N 15 124.800 0.30 . 1 . . . . 54 LYS N . 7108 1 622 . 1 1 55 55 ILE H H 1 9.093 0.02 . 1 . . . . 55 ILE HN . 7108 1 623 . 1 1 55 55 ILE HA H 1 4.698 0.02 . 1 . . . . 55 ILE HA . 7108 1 624 . 1 1 55 55 ILE HB H 1 1.205 0.02 . 1 . . . . 55 ILE HB . 7108 1 625 . 1 1 55 55 ILE HG12 H 1 0.588 0.02 . 1 . . . . 55 ILE HG11 . 7108 1 626 . 1 1 55 55 ILE HG13 H 1 1.428 0.02 . 1 . . . . 55 ILE HG12 . 7108 1 627 . 1 1 55 55 ILE HG21 H 1 0.170 0.02 . 1 . . . . 55 ILE HG2 . 7108 1 628 . 1 1 55 55 ILE HG22 H 1 0.170 0.02 . 1 . . . . 55 ILE HG2 . 7108 1 629 . 1 1 55 55 ILE HG23 H 1 0.170 0.02 . 1 . . . . 55 ILE HG2 . 7108 1 630 . 1 1 55 55 ILE HD11 H 1 0.408 0.02 . 1 . . . . 55 ILE HD1 . 7108 1 631 . 1 1 55 55 ILE HD12 H 1 0.408 0.02 . 1 . . . . 55 ILE HD1 . 7108 1 632 . 1 1 55 55 ILE HD13 H 1 0.408 0.02 . 1 . . . . 55 ILE HD1 . 7108 1 633 . 1 1 55 55 ILE C C 13 171.760 0.30 . 1 . . . . 55 ILE C . 7108 1 634 . 1 1 55 55 ILE CA C 13 59.240 0.30 . 1 . . . . 55 ILE CA . 7108 1 635 . 1 1 55 55 ILE CB C 13 41.580 0.30 . 1 . . . . 55 ILE CB . 7108 1 636 . 1 1 55 55 ILE CG1 C 13 29.040 0.30 . 2 . . . . 55 ILE CG1 . 7108 1 637 . 1 1 55 55 ILE CG2 C 13 15.208 0.30 . 1 . . . . 55 ILE CG2 . 7108 1 638 . 1 1 55 55 ILE CD1 C 13 15.031 0.30 . 1 . . . . 55 ILE CD1 . 7108 1 639 . 1 1 55 55 ILE N N 15 121.760 0.30 . 1 . . . . 55 ILE N . 7108 1 640 . 1 1 56 56 ASP H H 1 8.417 0.02 . 1 . . . . 56 ASP HN . 7108 1 641 . 1 1 56 56 ASP HA H 1 4.098 0.02 . 1 . . . . 56 ASP HA . 7108 1 642 . 1 1 56 56 ASP HB2 H 1 2.481 0.02 . 2 . . . . 56 ASP HB1 . 7108 1 643 . 1 1 56 56 ASP HB3 H 1 2.150 0.02 . 2 . . . . 56 ASP HB2 . 7108 1 644 . 1 1 56 56 ASP C C 13 179.599 0.30 . 1 . . . . 56 ASP C . 7108 1 645 . 1 1 56 56 ASP CA C 13 52.240 0.30 . 1 . . . . 56 ASP CA . 7108 1 646 . 1 1 56 56 ASP CB C 13 40.570 0.30 . 1 . . . . 56 ASP CB . 7108 1 647 . 1 1 56 56 ASP N N 15 128.680 0.30 . 1 . . . . 56 ASP N . 7108 1 648 . 1 1 57 57 VAL H H 1 9.010 0.02 . 1 . . . . 57 VAL HN . 7108 1 649 . 1 1 57 57 VAL HA H 1 4.028 0.02 . 1 . . . . 57 VAL HA . 7108 1 650 . 1 1 57 57 VAL HB H 1 2.267 0.02 . 1 . . . . 57 VAL HB . 7108 1 651 . 1 1 57 57 VAL HG11 H 1 0.852 0.02 . 2 . . . . 57 VAL HG1 . 7108 1 652 . 1 1 57 57 VAL HG12 H 1 0.852 0.02 . 2 . . . . 57 VAL HG1 . 7108 1 653 . 1 1 57 57 VAL HG13 H 1 0.852 0.02 . 2 . . . . 57 VAL HG1 . 7108 1 654 . 1 1 57 57 VAL HG21 H 1 1.182 0.02 . 2 . . . . 57 VAL HG2 . 7108 1 655 . 1 1 57 57 VAL HG22 H 1 1.182 0.02 . 2 . . . . 57 VAL HG2 . 7108 1 656 . 1 1 57 57 VAL HG23 H 1 1.182 0.02 . 2 . . . . 57 VAL HG2 . 7108 1 657 . 1 1 57 57 VAL C C 13 176.760 0.30 . 1 . . . . 57 VAL C . 7108 1 658 . 1 1 57 57 VAL CA C 13 63.980 0.30 . 1 . . . . 57 VAL CA . 7108 1 659 . 1 1 57 57 VAL CB C 13 31.270 0.30 . 1 . . . . 57 VAL CB . 7108 1 660 . 1 1 57 57 VAL CG1 C 13 19.098 0.30 . 1 . . . . 57 VAL CG1 . 7108 1 661 . 1 1 57 57 VAL CG2 C 13 23.873 0.30 . 1 . . . . 57 VAL CG2 . 7108 1 662 . 1 1 57 57 VAL N N 15 122.820 0.30 . 1 . . . . 57 VAL N . 7108 1 663 . 1 1 58 58 ASP H H 1 8.762 0.02 . 1 . . . . 58 ASP HN . 7108 1 664 . 1 1 58 58 ASP HA H 1 4.552 0.02 . 1 . . . . 58 ASP HA . 7108 1 665 . 1 1 58 58 ASP HB2 H 1 3.098 0.02 . 2 . . . . 58 ASP HB1 . 7108 1 666 . 1 1 58 58 ASP HB3 H 1 2.611 0.02 . 2 . . . . 58 ASP HB2 . 7108 1 667 . 1 1 58 58 ASP C C 13 178.850 0.30 . 1 . . . . 58 ASP C . 7108 1 668 . 1 1 58 58 ASP CA C 13 56.720 0.30 . 1 . . . . 58 ASP CA . 7108 1 669 . 1 1 58 58 ASP CB C 13 39.930 0.30 . 1 . . . . 58 ASP CB . 7108 1 670 . 1 1 58 58 ASP N N 15 122.610 0.30 . 1 . . . . 58 ASP N . 7108 1 671 . 1 1 59 59 GLU H H 1 7.220 0.02 . 1 . . . . 59 GLU HN . 7108 1 672 . 1 1 59 59 GLU HA H 1 4.322 0.02 . 1 . . . . 59 GLU HA . 7108 1 673 . 1 1 59 59 GLU HB2 H 1 2.142 0.02 . 2 . . . . 59 GLU HB1 . 7108 1 674 . 1 1 59 59 GLU HB3 H 1 1.731 0.02 . 2 . . . . 59 GLU HB2 . 7108 1 675 . 1 1 59 59 GLU HG2 H 1 2.157 0.02 . 2 . . . . 59 GLU HG1 . 7108 1 676 . 1 1 59 59 GLU HG3 H 1 2.281 0.02 . 2 . . . . 59 GLU HG2 . 7108 1 677 . 1 1 59 59 GLU C C 13 176.029 0.30 . 1 . . . . 59 GLU C . 7108 1 678 . 1 1 59 59 GLU CA C 13 56.440 0.30 . 1 . . . . 59 GLU CA . 7108 1 679 . 1 1 59 59 GLU CB C 13 32.250 0.30 . 1 . . . . 59 GLU CB . 7108 1 680 . 1 1 59 59 GLU CG C 13 36.608 0.30 . 1 . . . . 59 GLU CG . 7108 1 681 . 1 1 59 59 GLU N N 15 116.580 0.30 . 1 . . . . 59 GLU N . 7108 1 682 . 1 1 60 60 ASN H H 1 7.502 0.02 . 1 . . . . 60 ASN HN . 7108 1 683 . 1 1 60 60 ASN HA H 1 5.277 0.02 . 1 . . . . 60 ASN HA . 7108 1 684 . 1 1 60 60 ASN HB2 H 1 2.786 0.02 . 2 . . . . 60 ASN HB1 . 7108 1 685 . 1 1 60 60 ASN HB3 H 1 2.589 0.02 . 2 . . . . 60 ASN HB2 . 7108 1 686 . 1 1 60 60 ASN HD21 H 1 7.581 0.02 . 2 . . . . 60 ASN HD21 . 7108 1 687 . 1 1 60 60 ASN HD22 H 1 8.305 0.02 . 2 . . . . 60 ASN HD22 . 7108 1 688 . 1 1 60 60 ASN C C 13 173.960 0.30 . 1 . . . . 60 ASN C . 7108 1 689 . 1 1 60 60 ASN CA C 13 52.760 0.30 . 1 . . . . 60 ASN CA . 7108 1 690 . 1 1 60 60 ASN CB C 13 39.740 0.30 . 1 . . . . 60 ASN CB . 7108 1 691 . 1 1 60 60 ASN N N 15 119.420 0.30 . 1 . . . . 60 ASN N . 7108 1 692 . 1 1 60 60 ASN ND2 N 15 121.630 0.30 . 1 . . . . 60 ASN ND2 . 7108 1 693 . 1 1 61 61 GLN H H 1 8.481 0.02 . 1 . . . . 61 GLN HN . 7108 1 694 . 1 1 61 61 GLN HA H 1 4.225 0.02 . 1 . . . . 61 GLN HA . 7108 1 695 . 1 1 61 61 GLN HB2 H 1 2.194 0.02 . 2 . . . . 61 GLN HB1 . 7108 1 696 . 1 1 61 61 GLN HB3 H 1 2.057 0.02 . 2 . . . . 61 GLN HB2 . 7108 1 697 . 1 1 61 61 GLN HG2 H 1 2.481 0.02 . 2 . . . . 61 GLN HG1 . 7108 1 698 . 1 1 61 61 GLN HG3 H 1 2.560 0.02 . 2 . . . . 61 GLN HG2 . 7108 1 699 . 1 1 61 61 GLN HE21 H 1 6.827 0.02 . 2 . . . . 61 GLN HE21 . 7108 1 700 . 1 1 61 61 GLN HE22 H 1 7.627 0.02 . 2 . . . . 61 GLN HE22 . 7108 1 701 . 1 1 61 61 GLN C C 13 179.698 0.30 . 1 . . . . 61 GLN C . 7108 1 702 . 1 1 61 61 GLN CA C 13 58.410 0.30 . 1 . . . . 61 GLN CA . 7108 1 703 . 1 1 61 61 GLN CB C 13 29.230 0.30 . 1 . . . . 61 GLN CB . 7108 1 704 . 1 1 61 61 GLN CG C 13 34.320 0.30 . 1 . . . . 61 GLN CG . 7108 1 705 . 1 1 61 61 GLN N N 15 119.540 0.30 . 1 . . . . 61 GLN N . 7108 1 706 . 1 1 61 61 GLN NE2 N 15 112.641 0.30 . 1 . . . . 61 GLN NE2 . 7108 1 707 . 1 1 62 62 GLU H H 1 9.498 0.02 . 1 . . . . 62 GLU HN . 7108 1 708 . 1 1 62 62 GLU HA H 1 4.095 0.02 . 1 . . . . 62 GLU HA . 7108 1 709 . 1 1 62 62 GLU HB2 H 1 1.964 0.02 . 2 . . . . 62 GLU HB2 . 7108 1 710 . 1 1 62 62 GLU HG2 H 1 2.313 0.02 . 2 . . . . 62 GLU HG1 . 7108 1 711 . 1 1 62 62 GLU HG3 H 1 2.148 0.02 . 2 . . . . 62 GLU HG2 . 7108 1 712 . 1 1 62 62 GLU C C 13 180.081 0.30 . 1 . . . . 62 GLU C . 7108 1 713 . 1 1 62 62 GLU CA C 13 59.840 0.30 . 1 . . . . 62 GLU CA . 7108 1 714 . 1 1 62 62 GLU CB C 13 29.170 0.30 . 1 . . . . 62 GLU CB . 7108 1 715 . 1 1 62 62 GLU CG C 13 36.477 0.30 . 1 . . . . 62 GLU CG . 7108 1 716 . 1 1 62 62 GLU N N 15 122.430 0.30 . 1 . . . . 62 GLU N . 7108 1 717 . 1 1 63 63 THR H H 1 8.878 0.02 . 1 . . . . 63 THR HN . 7108 1 718 . 1 1 63 63 THR HA H 1 3.827 0.02 . 1 . . . . 63 THR HA . 7108 1 719 . 1 1 63 63 THR HB H 1 3.745 0.02 . 1 . . . . 63 THR HB . 7108 1 720 . 1 1 63 63 THR HG21 H 1 0.506 0.02 . 1 . . . . 63 THR HG2 . 7108 1 721 . 1 1 63 63 THR HG22 H 1 0.506 0.02 . 1 . . . . 63 THR HG2 . 7108 1 722 . 1 1 63 63 THR HG23 H 1 0.506 0.02 . 1 . . . . 63 THR HG2 . 7108 1 723 . 1 1 63 63 THR C C 13 175.981 0.30 . 1 . . . . 63 THR C . 7108 1 724 . 1 1 63 63 THR CA C 13 68.120 0.30 . 1 . . . . 63 THR CA . 7108 1 725 . 1 1 63 63 THR CB C 13 68.120 0.30 . 1 . . . . 63 THR CB . 7108 1 726 . 1 1 63 63 THR CG2 C 13 21.429 0.30 . 1 . . . . 63 THR CG2 . 7108 1 727 . 1 1 63 63 THR N N 15 119.440 0.30 . 1 . . . . 63 THR N . 7108 1 728 . 1 1 64 64 ALA H H 1 7.792 0.02 . 1 . . . . 64 ALA HN . 7108 1 729 . 1 1 64 64 ALA HA H 1 3.791 0.02 . 1 . . . . 64 ALA HA . 7108 1 730 . 1 1 64 64 ALA HB1 H 1 1.475 0.02 . 1 . . . . 64 ALA HB . 7108 1 731 . 1 1 64 64 ALA HB2 H 1 1.475 0.02 . 1 . . . . 64 ALA HB . 7108 1 732 . 1 1 64 64 ALA HB3 H 1 1.475 0.02 . 1 . . . . 64 ALA HB . 7108 1 733 . 1 1 64 64 ALA C C 13 179.243 0.30 . 1 . . . . 64 ALA C . 7108 1 734 . 1 1 64 64 ALA CA C 13 55.860 0.30 . 1 . . . . 64 ALA CA . 7108 1 735 . 1 1 64 64 ALA CB C 13 17.770 0.30 . 1 . . . . 64 ALA CB . 7108 1 736 . 1 1 64 64 ALA N N 15 122.480 0.30 . 1 . . . . 64 ALA N . 7108 1 737 . 1 1 65 65 GLY H H 1 8.106 0.02 . 1 . . . . 65 GLY HN . 7108 1 738 . 1 1 65 65 GLY HA2 H 1 3.876 0.02 . 2 . . . . 65 GLY HA2 . 7108 1 739 . 1 1 65 65 GLY C C 13 177.270 0.30 . 1 . . . . 65 GLY C . 7108 1 740 . 1 1 65 65 GLY CA C 13 46.900 0.30 . 1 . . . . 65 GLY CA . 7108 1 741 . 1 1 65 65 GLY N N 15 103.810 0.30 . 1 . . . . 65 GLY N . 7108 1 742 . 1 1 66 66 LYS H H 1 7.992 0.02 . 1 . . . . 66 LYS HN . 7108 1 743 . 1 1 66 66 LYS HA H 1 3.895 0.02 . 1 . . . . 66 LYS HA . 7108 1 744 . 1 1 66 66 LYS HB2 H 1 1.843 0.02 . 2 . . . . 66 LYS HB1 . 7108 1 745 . 1 1 66 66 LYS HB3 H 1 1.703 0.02 . 2 . . . . 66 LYS HB2 . 7108 1 746 . 1 1 66 66 LYS HG2 H 1 0.745 0.02 . 2 . . . . 66 LYS HG1 . 7108 1 747 . 1 1 66 66 LYS HG3 H 1 1.229 0.02 . 2 . . . . 66 LYS HG2 . 7108 1 748 . 1 1 66 66 LYS HD2 H 1 1.519 0.02 . 2 . . . . 66 LYS HD2 . 7108 1 749 . 1 1 66 66 LYS HE2 H 1 2.815 0.02 . 2 . . . . 66 LYS HE2 . 7108 1 750 . 1 1 66 66 LYS C C 13 177.922 0.30 . 1 . . . . 66 LYS C . 7108 1 751 . 1 1 66 66 LYS CA C 13 59.190 0.30 . 1 . . . . 66 LYS CA . 7108 1 752 . 1 1 66 66 LYS CB C 13 32.350 0.30 . 1 . . . . 66 LYS CB . 7108 1 753 . 1 1 66 66 LYS CG C 13 24.811 0.30 . 1 . . . . 66 LYS CG . 7108 1 754 . 1 1 66 66 LYS CD C 13 29.443 0.30 . 1 . . . . 66 LYS CD . 7108 1 755 . 1 1 66 66 LYS CE C 13 42.205 0.30 . 1 . . . . 66 LYS CE . 7108 1 756 . 1 1 66 66 LYS N N 15 123.890 0.30 . 1 . . . . 66 LYS N . 7108 1 757 . 1 1 67 67 TYR H H 1 7.263 0.02 . 1 . . . . 67 TYR HN . 7108 1 758 . 1 1 67 67 TYR HA H 1 4.298 0.02 . 1 . . . . 67 TYR HA . 7108 1 759 . 1 1 67 67 TYR HB2 H 1 3.142 0.02 . 2 . . . . 67 TYR HB1 . 7108 1 760 . 1 1 67 67 TYR HB3 H 1 2.149 0.02 . 2 . . . . 67 TYR HB2 . 7108 1 761 . 1 1 67 67 TYR HD1 H 1 7.231 0.02 . 3 . . . . 67 TYR HD1 . 7108 1 762 . 1 1 67 67 TYR HD2 H 1 7.239 0.02 . 3 . . . . 67 TYR HD2 . 7108 1 763 . 1 1 67 67 TYR HE1 H 1 6.675 0.02 . 3 . . . . 67 TYR HE1 . 7108 1 764 . 1 1 67 67 TYR C C 13 175.101 0.30 . 1 . . . . 67 TYR C . 7108 1 765 . 1 1 67 67 TYR CA C 13 59.120 0.30 . 1 . . . . 67 TYR CA . 7108 1 766 . 1 1 67 67 TYR CB C 13 38.350 0.30 . 1 . . . . 67 TYR CB . 7108 1 767 . 1 1 67 67 TYR CD1 C 13 124.699 0.30 . 3 . . . . 67 TYR CD1 . 7108 1 768 . 1 1 67 67 TYR CD2 C 13 132.943 0.30 . 3 . . . . 67 TYR CD2 . 7108 1 769 . 1 1 67 67 TYR CE1 C 13 117.569 0.30 . 3 . . . . 67 TYR CE1 . 7108 1 770 . 1 1 67 67 TYR N N 15 113.630 0.30 . 1 . . . . 67 TYR N . 7108 1 771 . 1 1 68 68 GLY H H 1 7.619 0.02 . 1 . . . . 68 GLY HN . 7108 1 772 . 1 1 68 68 GLY HA2 H 1 3.802 0.02 . 2 . . . . 68 GLY HA2 . 7108 1 773 . 1 1 68 68 GLY C C 13 174.771 0.30 . 1 . . . . 68 GLY C . 7108 1 774 . 1 1 68 68 GLY CA C 13 47.010 0.30 . 1 . . . . 68 GLY CA . 7108 1 775 . 1 1 68 68 GLY N N 15 109.630 0.30 . 1 . . . . 68 GLY N . 7108 1 776 . 1 1 69 69 VAL H H 1 8.052 0.02 . 1 . . . . 69 VAL HN . 7108 1 777 . 1 1 69 69 VAL HA H 1 3.622 0.02 . 1 . . . . 69 VAL HA . 7108 1 778 . 1 1 69 69 VAL HB H 1 1.646 0.02 . 1 . . . . 69 VAL HB . 7108 1 779 . 1 1 69 69 VAL HG11 H 1 0.010 0.02 . 2 . . . . 69 VAL HG1 . 7108 1 780 . 1 1 69 69 VAL HG12 H 1 0.010 0.02 . 2 . . . . 69 VAL HG1 . 7108 1 781 . 1 1 69 69 VAL HG13 H 1 0.010 0.02 . 2 . . . . 69 VAL HG1 . 7108 1 782 . 1 1 69 69 VAL HG21 H 1 0.693 0.02 . 2 . . . . 69 VAL HG2 . 7108 1 783 . 1 1 69 69 VAL HG22 H 1 0.693 0.02 . 2 . . . . 69 VAL HG2 . 7108 1 784 . 1 1 69 69 VAL HG23 H 1 0.693 0.02 . 2 . . . . 69 VAL HG2 . 7108 1 785 . 1 1 69 69 VAL C C 13 175.681 0.30 . 1 . . . . 69 VAL C . 7108 1 786 . 1 1 69 69 VAL CA C 13 64.030 0.30 . 1 . . . . 69 VAL CA . 7108 1 787 . 1 1 69 69 VAL CB C 13 30.820 0.30 . 1 . . . . 69 VAL CB . 7108 1 788 . 1 1 69 69 VAL CG1 C 13 20.365 0.30 . 1 . . . . 69 VAL CG1 . 7108 1 789 . 1 1 69 69 VAL CG2 C 13 21.232 0.30 . 1 . . . . 69 VAL CG2 . 7108 1 790 . 1 1 69 69 VAL N N 15 120.090 0.30 . 1 . . . . 69 VAL N . 7108 1 791 . 1 1 70 70 MET H H 1 8.524 0.02 . 1 . . . . 70 MET HN . 7108 1 792 . 1 1 70 70 MET HA H 1 4.632 0.02 . 1 . . . . 70 MET HA . 7108 1 793 . 1 1 70 70 MET HB2 H 1 2.148 0.02 . 2 . . . . 70 MET HB1 . 7108 1 794 . 1 1 70 70 MET HB3 H 1 1.941 0.02 . 2 . . . . 70 MET HB2 . 7108 1 795 . 1 1 70 70 MET HG2 H 1 2.446 0.02 . 2 . . . . 70 MET HG1 . 7108 1 796 . 1 1 70 70 MET HG3 H 1 2.565 0.02 . 2 . . . . 70 MET HG2 . 7108 1 797 . 1 1 70 70 MET HE1 H 1 1.676 0.02 . 1 . . . . 70 MET HE . 7108 1 798 . 1 1 70 70 MET HE2 H 1 1.676 0.02 . 1 . . . . 70 MET HE . 7108 1 799 . 1 1 70 70 MET HE3 H 1 1.676 0.02 . 1 . . . . 70 MET HE . 7108 1 800 . 1 1 70 70 MET C C 13 175.506 0.30 . 1 . . . . 70 MET C . 7108 1 801 . 1 1 70 70 MET CA C 13 55.260 0.30 . 1 . . . . 70 MET CA . 7108 1 802 . 1 1 70 70 MET CB C 13 34.310 0.30 . 1 . . . . 70 MET CB . 7108 1 803 . 1 1 70 70 MET CG C 13 31.894 0.30 . 1 . . . . 70 MET CG . 7108 1 804 . 1 1 70 70 MET CE C 13 16.229 0.30 . 1 . . . . 70 MET CE . 7108 1 805 . 1 1 70 70 MET N N 15 127.410 0.30 . 1 . . . . 70 MET N . 7108 1 806 . 1 1 71 71 SER H H 1 7.846 0.02 . 1 . . . . 71 SER HN . 7108 1 807 . 1 1 71 71 SER HA H 1 4.705 0.02 . 1 . . . . 71 SER HA . 7108 1 808 . 1 1 71 71 SER HB2 H 1 3.696 0.02 . 2 . . . . 71 SER HB2 . 7108 1 809 . 1 1 71 71 SER C C 13 171.901 0.30 . 1 . . . . 71 SER C . 7108 1 810 . 1 1 71 71 SER CA C 13 57.350 0.30 . 1 . . . . 71 SER CA . 7108 1 811 . 1 1 71 71 SER CB C 13 64.890 0.30 . 1 . . . . 71 SER CB . 7108 1 812 . 1 1 71 71 SER N N 15 114.970 0.30 . 1 . . . . 71 SER N . 7108 1 813 . 1 1 72 72 ILE H H 1 8.334 0.02 . 1 . . . . 72 ILE HN . 7108 1 814 . 1 1 72 72 ILE HA H 1 4.800 0.02 . 1 . . . . 72 ILE HA . 7108 1 815 . 1 1 72 72 ILE HB H 1 1.739 0.02 . 1 . . . . 72 ILE HB . 7108 1 816 . 1 1 72 72 ILE HG12 H 1 1.569 0.02 . 1 . . . . 72 ILE HG11 . 7108 1 817 . 1 1 72 72 ILE HG13 H 1 1.145 0.02 . 1 . . . . 72 ILE HG12 . 7108 1 818 . 1 1 72 72 ILE HG21 H 1 0.737 0.02 . 1 . . . . 72 ILE HG2 . 7108 1 819 . 1 1 72 72 ILE HG22 H 1 0.737 0.02 . 1 . . . . 72 ILE HG2 . 7108 1 820 . 1 1 72 72 ILE HG23 H 1 0.737 0.02 . 1 . . . . 72 ILE HG2 . 7108 1 821 . 1 1 72 72 ILE HD11 H 1 0.433 0.02 . 1 . . . . 72 ILE HD1 . 7108 1 822 . 1 1 72 72 ILE HD12 H 1 0.433 0.02 . 1 . . . . 72 ILE HD1 . 7108 1 823 . 1 1 72 72 ILE HD13 H 1 0.433 0.02 . 1 . . . . 72 ILE HD1 . 7108 1 824 . 1 1 72 72 ILE CA C 13 57.730 0.30 . 1 . . . . 72 ILE CA . 7108 1 825 . 1 1 72 72 ILE CB C 13 41.010 0.30 . 1 . . . . 72 ILE CB . 7108 1 826 . 1 1 72 72 ILE CG1 C 13 24.977 0.30 . 2 . . . . 72 ILE CG1 . 7108 1 827 . 1 1 72 72 ILE CG2 C 13 19.197 0.30 . 1 . . . . 72 ILE CG2 . 7108 1 828 . 1 1 72 72 ILE CD1 C 13 15.492 0.30 . 1 . . . . 72 ILE CD1 . 7108 1 829 . 1 1 72 72 ILE N N 15 116.720 0.30 . 1 . . . . 72 ILE N . 7108 1 830 . 1 1 73 73 PRO HA H 1 5.166 0.02 . 1 . . . . 73 PRO HA . 7108 1 831 . 1 1 73 73 PRO HB2 H 1 2.828 0.02 . 2 . . . . 73 PRO HB1 . 7108 1 832 . 1 1 73 73 PRO HB3 H 1 1.933 0.02 . 2 . . . . 73 PRO HB2 . 7108 1 833 . 1 1 73 73 PRO HG2 H 1 1.737 0.02 . 2 . . . . 73 PRO HG1 . 7108 1 834 . 1 1 73 73 PRO HG3 H 1 1.792 0.02 . 2 . . . . 73 PRO HG2 . 7108 1 835 . 1 1 73 73 PRO HD2 H 1 3.582 0.02 . 2 . . . . 73 PRO HD1 . 7108 1 836 . 1 1 73 73 PRO HD3 H 1 3.660 0.02 . 2 . . . . 73 PRO HD2 . 7108 1 837 . 1 1 73 73 PRO C C 13 177.439 0.30 . 1 . . . . 73 PRO C . 7108 1 838 . 1 1 73 73 PRO CA C 13 62.840 0.30 . 1 . . . . 73 PRO CA . 7108 1 839 . 1 1 73 73 PRO CB C 13 34.580 0.30 . 1 . . . . 73 PRO CB . 7108 1 840 . 1 1 73 73 PRO CG C 13 24.421 0.30 . 1 . . . . 73 PRO CG . 7108 1 841 . 1 1 73 73 PRO CD C 13 50.956 0.30 . 1 . . . . 73 PRO CD . 7108 1 842 . 1 1 74 74 THR H H 1 8.357 0.02 . 1 . . . . 74 THR HN . 7108 1 843 . 1 1 74 74 THR HA H 1 4.961 0.02 . 1 . . . . 74 THR HA . 7108 1 844 . 1 1 74 74 THR HB H 1 3.939 0.02 . 1 . . . . 74 THR HB . 7108 1 845 . 1 1 74 74 THR HG21 H 1 1.064 0.02 . 1 . . . . 74 THR HG2 . 7108 1 846 . 1 1 74 74 THR HG22 H 1 1.064 0.02 . 1 . . . . 74 THR HG2 . 7108 1 847 . 1 1 74 74 THR HG23 H 1 1.064 0.02 . 1 . . . . 74 THR HG2 . 7108 1 848 . 1 1 74 74 THR C C 13 171.586 0.30 . 1 . . . . 74 THR C . 7108 1 849 . 1 1 74 74 THR CA C 13 64.300 0.30 . 1 . . . . 74 THR CA . 7108 1 850 . 1 1 74 74 THR CB C 13 72.350 0.30 . 1 . . . . 74 THR CB . 7108 1 851 . 1 1 74 74 THR CG2 C 13 21.422 0.30 . 1 . . . . 74 THR CG2 . 7108 1 852 . 1 1 74 74 THR N N 15 119.980 0.30 . 1 . . . . 74 THR N . 7108 1 853 . 1 1 75 75 LEU H H 1 9.488 0.02 . 1 . . . . 75 LEU HN . 7108 1 854 . 1 1 75 75 LEU HA H 1 5.921 0.02 . 1 . . . . 75 LEU HA . 7108 1 855 . 1 1 75 75 LEU HB2 H 1 1.675 0.02 . 2 . . . . 75 LEU HB1 . 7108 1 856 . 1 1 75 75 LEU HB3 H 1 1.350 0.02 . 2 . . . . 75 LEU HB2 . 7108 1 857 . 1 1 75 75 LEU HG H 1 1.723 0.02 . 1 . . . . 75 LEU HG . 7108 1 858 . 1 1 75 75 LEU HD11 H 1 0.861 0.02 . 2 . . . . 75 LEU HD1 . 7108 1 859 . 1 1 75 75 LEU HD12 H 1 0.861 0.02 . 2 . . . . 75 LEU HD1 . 7108 1 860 . 1 1 75 75 LEU HD13 H 1 0.861 0.02 . 2 . . . . 75 LEU HD1 . 7108 1 861 . 1 1 75 75 LEU C C 13 175.349 0.30 . 1 . . . . 75 LEU C . 7108 1 862 . 1 1 75 75 LEU CA C 13 52.910 0.30 . 1 . . . . 75 LEU CA . 7108 1 863 . 1 1 75 75 LEU CB C 13 43.000 0.30 . 1 . . . . 75 LEU CB . 7108 1 864 . 1 1 75 75 LEU CG C 13 28.911 0.30 . 1 . . . . 75 LEU CG . 7108 1 865 . 1 1 75 75 LEU CD1 C 13 25.634 0.30 . 1 . . . . 75 LEU CD1 . 7108 1 866 . 1 1 75 75 LEU N N 15 128.970 0.30 . 1 . . . . 75 LEU N . 7108 1 867 . 1 1 76 76 LEU H H 1 9.096 0.02 . 1 . . . . 76 LEU HN . 7108 1 868 . 1 1 76 76 LEU HA H 1 5.318 0.02 . 1 . . . . 76 LEU HA . 7108 1 869 . 1 1 76 76 LEU HB2 H 1 1.730 0.02 . 2 . . . . 76 LEU HB1 . 7108 1 870 . 1 1 76 76 LEU HB3 H 1 1.468 0.02 . 2 . . . . 76 LEU HB2 . 7108 1 871 . 1 1 76 76 LEU HG H 1 0.677 0.02 . 1 . . . . 76 LEU HG . 7108 1 872 . 1 1 76 76 LEU HD11 H 1 0.738 0.02 . 2 . . . . 76 LEU HD1 . 7108 1 873 . 1 1 76 76 LEU HD12 H 1 0.738 0.02 . 2 . . . . 76 LEU HD1 . 7108 1 874 . 1 1 76 76 LEU HD13 H 1 0.738 0.02 . 2 . . . . 76 LEU HD1 . 7108 1 875 . 1 1 76 76 LEU HD21 H 1 0.915 0.02 . 2 . . . . 76 LEU HD2 . 7108 1 876 . 1 1 76 76 LEU HD22 H 1 0.915 0.02 . 2 . . . . 76 LEU HD2 . 7108 1 877 . 1 1 76 76 LEU HD23 H 1 0.915 0.02 . 2 . . . . 76 LEU HD2 . 7108 1 878 . 1 1 76 76 LEU C C 13 176.926 0.30 . 1 . . . . 76 LEU C . 7108 1 879 . 1 1 76 76 LEU CA C 13 52.580 0.30 . 1 . . . . 76 LEU CA . 7108 1 880 . 1 1 76 76 LEU CB C 13 44.880 0.30 . 1 . . . . 76 LEU CB . 7108 1 881 . 1 1 76 76 LEU CG C 13 26.682 0.30 . 1 . . . . 76 LEU CG . 7108 1 882 . 1 1 76 76 LEU CD1 C 13 24.477 0.30 . 1 . . . . 76 LEU CD1 . 7108 1 883 . 1 1 76 76 LEU CD2 C 13 24.491 0.30 . 1 . . . . 76 LEU CD2 . 7108 1 884 . 1 1 76 76 LEU N N 15 120.330 0.30 . 1 . . . . 76 LEU N . 7108 1 885 . 1 1 77 77 VAL H H 1 8.613 0.02 . 1 . . . . 77 VAL HN . 7108 1 886 . 1 1 77 77 VAL HA H 1 4.962 0.02 . 1 . . . . 77 VAL HA . 7108 1 887 . 1 1 77 77 VAL HB H 1 1.650 0.02 . 1 . . . . 77 VAL HB . 7108 1 888 . 1 1 77 77 VAL HG11 H 1 0.625 0.02 . 2 . . . . 77 VAL HG1 . 7108 1 889 . 1 1 77 77 VAL HG12 H 1 0.625 0.02 . 2 . . . . 77 VAL HG1 . 7108 1 890 . 1 1 77 77 VAL HG13 H 1 0.625 0.02 . 2 . . . . 77 VAL HG1 . 7108 1 891 . 1 1 77 77 VAL HG21 H 1 0.703 0.02 . 2 . . . . 77 VAL HG2 . 7108 1 892 . 1 1 77 77 VAL HG22 H 1 0.703 0.02 . 2 . . . . 77 VAL HG2 . 7108 1 893 . 1 1 77 77 VAL HG23 H 1 0.703 0.02 . 2 . . . . 77 VAL HG2 . 7108 1 894 . 1 1 77 77 VAL C C 13 175.038 0.30 . 1 . . . . 77 VAL C . 7108 1 895 . 1 1 77 77 VAL CA C 13 61.440 0.30 . 1 . . . . 77 VAL CA . 7108 1 896 . 1 1 77 77 VAL CB C 13 31.810 0.30 . 1 . . . . 77 VAL CB . 7108 1 897 . 1 1 77 77 VAL CG1 C 13 21.309 0.30 . 1 . . . . 77 VAL CG1 . 7108 1 898 . 1 1 77 77 VAL CG2 C 13 21.306 0.30 . 1 . . . . 77 VAL CG2 . 7108 1 899 . 1 1 77 77 VAL N N 15 121.360 0.30 . 1 . . . . 77 VAL N . 7108 1 900 . 1 1 78 78 LEU H H 1 9.693 0.02 . 1 . . . . 78 LEU HN . 7108 1 901 . 1 1 78 78 LEU HA H 1 5.398 0.02 . 1 . . . . 78 LEU HA . 7108 1 902 . 1 1 78 78 LEU HB2 H 1 1.591 0.02 . 2 . . . . 78 LEU HB1 . 7108 1 903 . 1 1 78 78 LEU HB3 H 1 1.361 0.02 . 2 . . . . 78 LEU HB2 . 7108 1 904 . 1 1 78 78 LEU HG H 1 1.368 0.02 . 1 . . . . 78 LEU HG . 7108 1 905 . 1 1 78 78 LEU HD11 H 1 0.724 0.02 . 2 . . . . 78 LEU HD1 . 7108 1 906 . 1 1 78 78 LEU HD12 H 1 0.724 0.02 . 2 . . . . 78 LEU HD1 . 7108 1 907 . 1 1 78 78 LEU HD13 H 1 0.724 0.02 . 2 . . . . 78 LEU HD1 . 7108 1 908 . 1 1 78 78 LEU HD21 H 1 0.681 0.02 . 2 . . . . 78 LEU HD2 . 7108 1 909 . 1 1 78 78 LEU HD22 H 1 0.681 0.02 . 2 . . . . 78 LEU HD2 . 7108 1 910 . 1 1 78 78 LEU HD23 H 1 0.681 0.02 . 2 . . . . 78 LEU HD2 . 7108 1 911 . 1 1 78 78 LEU C C 13 174.647 0.30 . 1 . . . . 78 LEU C . 7108 1 912 . 1 1 78 78 LEU CA C 13 54.350 0.30 . 1 . . . . 78 LEU CA . 7108 1 913 . 1 1 78 78 LEU CB C 13 44.630 0.30 . 1 . . . . 78 LEU CB . 7108 1 914 . 1 1 78 78 LEU CG C 13 29.241 0.30 . 1 . . . . 78 LEU CG . 7108 1 915 . 1 1 78 78 LEU CD1 C 13 27.008 0.30 . 1 . . . . 78 LEU CD1 . 7108 1 916 . 1 1 78 78 LEU CD2 C 13 26.980 0.30 . 1 . . . . 78 LEU CD2 . 7108 1 917 . 1 1 78 78 LEU N N 15 129.340 0.30 . 1 . . . . 78 LEU N . 7108 1 918 . 1 1 79 79 LYS H H 1 8.923 0.02 . 1 . . . . 79 LYS HN . 7108 1 919 . 1 1 79 79 LYS HA H 1 4.986 0.02 . 1 . . . . 79 LYS HA . 7108 1 920 . 1 1 79 79 LYS HB2 H 1 1.830 0.02 . 2 . . . . 79 LYS HB1 . 7108 1 921 . 1 1 79 79 LYS HB3 H 1 1.274 0.02 . 2 . . . . 79 LYS HB2 . 7108 1 922 . 1 1 79 79 LYS HG2 H 1 1.227 0.02 . 2 . . . . 79 LYS HG1 . 7108 1 923 . 1 1 79 79 LYS HG3 H 1 1.298 0.02 . 2 . . . . 79 LYS HG2 . 7108 1 924 . 1 1 79 79 LYS HD2 H 1 1.775 0.02 . 2 . . . . 79 LYS HD2 . 7108 1 925 . 1 1 79 79 LYS HE2 H 1 3.057 0.02 . 2 . . . . 79 LYS HE2 . 7108 1 926 . 1 1 79 79 LYS C C 13 176.359 0.30 . 1 . . . . 79 LYS C . 7108 1 927 . 1 1 79 79 LYS CA C 13 54.800 0.30 . 1 . . . . 79 LYS CA . 7108 1 928 . 1 1 79 79 LYS CB C 13 35.680 0.30 . 1 . . . . 79 LYS CB . 7108 1 929 . 1 1 79 79 LYS CG C 13 25.390 0.30 . 1 . . . . 79 LYS CG . 7108 1 930 . 1 1 79 79 LYS CD C 13 30.179 0.30 . 1 . . . . 79 LYS CD . 7108 1 931 . 1 1 79 79 LYS CE C 13 42.465 0.30 . 1 . . . . 79 LYS CE . 7108 1 932 . 1 1 79 79 LYS N N 15 119.690 0.30 . 1 . . . . 79 LYS N . 7108 1 933 . 1 1 80 80 ASP H H 1 9.319 0.02 . 1 . . . . 80 ASP HN . 7108 1 934 . 1 1 80 80 ASP HA H 1 4.272 0.02 . 1 . . . . 80 ASP HA . 7108 1 935 . 1 1 80 80 ASP HB2 H 1 3.001 0.02 . 2 . . . . 80 ASP HB1 . 7108 1 936 . 1 1 80 80 ASP HB3 H 1 2.726 0.02 . 2 . . . . 80 ASP HB2 . 7108 1 937 . 1 1 80 80 ASP C C 13 176.062 0.30 . 1 . . . . 80 ASP C . 7108 1 938 . 1 1 80 80 ASP CA C 13 56.130 0.30 . 1 . . . . 80 ASP CA . 7108 1 939 . 1 1 80 80 ASP CB C 13 39.840 0.30 . 1 . . . . 80 ASP CB . 7108 1 940 . 1 1 80 80 ASP N N 15 129.940 0.30 . 1 . . . . 80 ASP N . 7108 1 941 . 1 1 81 81 GLY H H 1 9.559 0.02 . 1 . . . . 81 GLY HN . 7108 1 942 . 1 1 81 81 GLY HA2 H 1 4.216 0.02 . 2 . . . . 81 GLY HA1 . 7108 1 943 . 1 1 81 81 GLY HA3 H 1 3.590 0.02 . 2 . . . . 81 GLY HA2 . 7108 1 944 . 1 1 81 81 GLY C C 13 173.722 0.30 . 1 . . . . 81 GLY C . 7108 1 945 . 1 1 81 81 GLY CA C 13 45.660 0.30 . 1 . . . . 81 GLY CA . 7108 1 946 . 1 1 81 81 GLY N N 15 104.180 0.30 . 1 . . . . 81 GLY N . 7108 1 947 . 1 1 82 82 GLU H H 1 7.685 0.02 . 1 . . . . 82 GLU HN . 7108 1 948 . 1 1 82 82 GLU HA H 1 4.650 0.02 . 1 . . . . 82 GLU HA . 7108 1 949 . 1 1 82 82 GLU HB2 H 1 2.063 0.02 . 2 . . . . 82 GLU HB1 . 7108 1 950 . 1 1 82 82 GLU HB3 H 1 1.927 0.02 . 2 . . . . 82 GLU HB2 . 7108 1 951 . 1 1 82 82 GLU HG2 H 1 2.146 0.02 . 2 . . . . 82 GLU HG1 . 7108 1 952 . 1 1 82 82 GLU HG3 H 1 2.304 0.02 . 2 . . . . 82 GLU HG2 . 7108 1 953 . 1 1 82 82 GLU C C 13 175.972 0.30 . 1 . . . . 82 GLU C . 7108 1 954 . 1 1 82 82 GLU CA C 13 54.290 0.30 . 1 . . . . 82 GLU CA . 7108 1 955 . 1 1 82 82 GLU CB C 13 31.650 0.30 . 1 . . . . 82 GLU CB . 7108 1 956 . 1 1 82 82 GLU CG C 13 35.697 0.30 . 1 . . . . 82 GLU CG . 7108 1 957 . 1 1 82 82 GLU N N 15 121.000 0.30 . 1 . . . . 82 GLU N . 7108 1 958 . 1 1 83 83 VAL H H 1 8.998 0.02 . 1 . . . . 83 VAL HN . 7108 1 959 . 1 1 83 83 VAL HA H 1 4.043 0.02 . 1 . . . . 83 VAL HA . 7108 1 960 . 1 1 83 83 VAL HB H 1 2.103 0.02 . 1 . . . . 83 VAL HB . 7108 1 961 . 1 1 83 83 VAL HG11 H 1 0.916 0.02 . 2 . . . . 83 VAL HG1 . 7108 1 962 . 1 1 83 83 VAL HG12 H 1 0.916 0.02 . 2 . . . . 83 VAL HG1 . 7108 1 963 . 1 1 83 83 VAL HG13 H 1 0.916 0.02 . 2 . . . . 83 VAL HG1 . 7108 1 964 . 1 1 83 83 VAL HG21 H 1 1.175 0.02 . 2 . . . . 83 VAL HG2 . 7108 1 965 . 1 1 83 83 VAL HG22 H 1 1.175 0.02 . 2 . . . . 83 VAL HG2 . 7108 1 966 . 1 1 83 83 VAL HG23 H 1 1.175 0.02 . 2 . . . . 83 VAL HG2 . 7108 1 967 . 1 1 83 83 VAL C C 13 177.293 0.30 . 1 . . . . 83 VAL C . 7108 1 968 . 1 1 83 83 VAL CA C 13 64.800 0.30 . 1 . . . . 83 VAL CA . 7108 1 969 . 1 1 83 83 VAL CB C 13 31.750 0.30 . 1 . . . . 83 VAL CB . 7108 1 970 . 1 1 83 83 VAL CG1 C 13 22.138 0.30 . 1 . . . . 83 VAL CG1 . 7108 1 971 . 1 1 83 83 VAL CG2 C 13 22.884 0.30 . 1 . . . . 83 VAL CG2 . 7108 1 972 . 1 1 83 83 VAL N N 15 124.760 0.30 . 1 . . . . 83 VAL N . 7108 1 973 . 1 1 84 84 VAL H H 1 9.321 0.02 . 1 . . . . 84 VAL HN . 7108 1 974 . 1 1 84 84 VAL HA H 1 4.613 0.02 . 1 . . . . 84 VAL HA . 7108 1 975 . 1 1 84 84 VAL HB H 1 1.992 0.02 . 1 . . . . 84 VAL HB . 7108 1 976 . 1 1 84 84 VAL HG11 H 1 0.050 0.02 . 2 . . . . 84 VAL HG1 . 7108 1 977 . 1 1 84 84 VAL HG12 H 1 0.050 0.02 . 2 . . . . 84 VAL HG1 . 7108 1 978 . 1 1 84 84 VAL HG13 H 1 0.050 0.02 . 2 . . . . 84 VAL HG1 . 7108 1 979 . 1 1 84 84 VAL HG21 H 1 0.865 0.02 . 2 . . . . 84 VAL HG2 . 7108 1 980 . 1 1 84 84 VAL HG22 H 1 0.865 0.02 . 2 . . . . 84 VAL HG2 . 7108 1 981 . 1 1 84 84 VAL HG23 H 1 0.865 0.02 . 2 . . . . 84 VAL HG2 . 7108 1 982 . 1 1 84 84 VAL C C 13 176.222 0.30 . 1 . . . . 84 VAL C . 7108 1 983 . 1 1 84 84 VAL CA C 13 61.190 0.30 . 1 . . . . 84 VAL CA . 7108 1 984 . 1 1 84 84 VAL CB C 13 34.180 0.30 . 1 . . . . 84 VAL CB . 7108 1 985 . 1 1 84 84 VAL CG1 C 13 18.393 0.30 . 1 . . . . 84 VAL CG1 . 7108 1 986 . 1 1 84 84 VAL CG2 C 13 21.825 0.30 . 1 . . . . 84 VAL CG2 . 7108 1 987 . 1 1 84 84 VAL N N 15 121.360 0.30 . 1 . . . . 84 VAL N . 7108 1 988 . 1 1 85 85 GLU H H 1 7.677 0.02 . 1 . . . . 85 GLU HN . 7108 1 989 . 1 1 85 85 GLU HA H 1 4.699 0.02 . 1 . . . . 85 GLU HA . 7108 1 990 . 1 1 85 85 GLU HB2 H 1 2.040 0.02 . 2 . . . . 85 GLU HB1 . 7108 1 991 . 1 1 85 85 GLU HB3 H 1 1.614 0.02 . 2 . . . . 85 GLU HB2 . 7108 1 992 . 1 1 85 85 GLU HG2 H 1 2.146 0.02 . 2 . . . . 85 GLU HG1 . 7108 1 993 . 1 1 85 85 GLU HG3 H 1 2.370 0.02 . 2 . . . . 85 GLU HG2 . 7108 1 994 . 1 1 85 85 GLU C C 13 174.812 0.30 . 1 . . . . 85 GLU C . 7108 1 995 . 1 1 85 85 GLU CA C 13 56.190 0.30 . 1 . . . . 85 GLU CA . 7108 1 996 . 1 1 85 85 GLU CB C 13 33.320 0.30 . 1 . . . . 85 GLU CB . 7108 1 997 . 1 1 85 85 GLU CG C 13 34.498 0.30 . 1 . . . . 85 GLU CG . 7108 1 998 . 1 1 85 85 GLU N N 15 117.920 0.30 . 1 . . . . 85 GLU N . 7108 1 999 . 1 1 86 86 THR H H 1 8.683 0.02 . 1 . . . . 86 THR HN . 7108 1 1000 . 1 1 86 86 THR HA H 1 4.824 0.02 . 1 . . . . 86 THR HA . 7108 1 1001 . 1 1 86 86 THR HB H 1 3.862 0.02 . 1 . . . . 86 THR HB . 7108 1 1002 . 1 1 86 86 THR HG21 H 1 1.052 0.02 . 1 . . . . 86 THR HG2 . 7108 1 1003 . 1 1 86 86 THR HG22 H 1 1.052 0.02 . 1 . . . . 86 THR HG2 . 7108 1 1004 . 1 1 86 86 THR HG23 H 1 1.052 0.02 . 1 . . . . 86 THR HG2 . 7108 1 1005 . 1 1 86 86 THR C C 13 173.441 0.30 . 1 . . . . 86 THR C . 7108 1 1006 . 1 1 86 86 THR CA C 13 62.380 0.30 . 1 . . . . 86 THR CA . 7108 1 1007 . 1 1 86 86 THR CB C 13 71.410 0.30 . 1 . . . . 86 THR CB . 7108 1 1008 . 1 1 86 86 THR CG2 C 13 20.509 0.30 . 1 . . . . 86 THR CG2 . 7108 1 1009 . 1 1 86 86 THR N N 15 117.590 0.30 . 1 . . . . 86 THR N . 7108 1 1010 . 1 1 87 87 SER H H 1 9.258 0.02 . 1 . . . . 87 SER HN . 7108 1 1011 . 1 1 87 87 SER HA H 1 4.770 0.02 . 1 . . . . 87 SER HA . 7108 1 1012 . 1 1 87 87 SER HB2 H 1 3.704 0.02 . 2 . . . . 87 SER HB1 . 7108 1 1013 . 1 1 87 87 SER HB3 H 1 3.428 0.02 . 2 . . . . 87 SER HB2 . 7108 1 1014 . 1 1 87 87 SER C C 13 173.742 0.30 . 1 . . . . 87 SER C . 7108 1 1015 . 1 1 87 87 SER CA C 13 56.970 0.30 . 1 . . . . 87 SER CA . 7108 1 1016 . 1 1 87 87 SER CB C 13 64.270 0.30 . 1 . . . . 87 SER CB . 7108 1 1017 . 1 1 87 87 SER N N 15 120.930 0.30 . 1 . . . . 87 SER N . 7108 1 1018 . 1 1 88 88 VAL H H 1 9.006 0.02 . 1 . . . . 88 VAL HN . 7108 1 1019 . 1 1 88 88 VAL HA H 1 4.694 0.02 . 1 . . . . 88 VAL HA . 7108 1 1020 . 1 1 88 88 VAL HB H 1 1.964 0.02 . 1 . . . . 88 VAL HB . 7108 1 1021 . 1 1 88 88 VAL HG11 H 1 0.868 0.02 . 2 . . . . 88 VAL HG1 . 7108 1 1022 . 1 1 88 88 VAL HG12 H 1 0.868 0.02 . 2 . . . . 88 VAL HG1 . 7108 1 1023 . 1 1 88 88 VAL HG13 H 1 0.868 0.02 . 2 . . . . 88 VAL HG1 . 7108 1 1024 . 1 1 88 88 VAL HG21 H 1 0.957 0.02 . 2 . . . . 88 VAL HG2 . 7108 1 1025 . 1 1 88 88 VAL HG22 H 1 0.957 0.02 . 2 . . . . 88 VAL HG2 . 7108 1 1026 . 1 1 88 88 VAL HG23 H 1 0.957 0.02 . 2 . . . . 88 VAL HG2 . 7108 1 1027 . 1 1 88 88 VAL C C 13 176.561 0.30 . 1 . . . . 88 VAL C . 7108 1 1028 . 1 1 88 88 VAL CA C 13 62.260 0.30 . 1 . . . . 88 VAL CA . 7108 1 1029 . 1 1 88 88 VAL CB C 13 33.650 0.30 . 1 . . . . 88 VAL CB . 7108 1 1030 . 1 1 88 88 VAL CG1 C 13 21.247 0.30 . 1 . . . . 88 VAL CG1 . 7108 1 1031 . 1 1 88 88 VAL CG2 C 13 20.868 0.30 . 1 . . . . 88 VAL CG2 . 7108 1 1032 . 1 1 88 88 VAL N N 15 131.070 0.30 . 1 . . . . 88 VAL N . 7108 1 1033 . 1 1 89 89 GLY H H 1 8.372 0.02 . 1 . . . . 89 GLY HN . 7108 1 1034 . 1 1 89 89 GLY HA2 H 1 4.502 0.02 . 2 . . . . 89 GLY HA1 . 7108 1 1035 . 1 1 89 89 GLY HA3 H 1 3.660 0.02 . 2 . . . . 89 GLY HA2 . 7108 1 1036 . 1 1 89 89 GLY C C 13 173.035 0.30 . 1 . . . . 89 GLY C . 7108 1 1037 . 1 1 89 89 GLY CA C 13 43.550 0.30 . 1 . . . . 89 GLY CA . 7108 1 1038 . 1 1 89 89 GLY N N 15 112.270 0.30 . 1 . . . . 89 GLY N . 7108 1 1039 . 1 1 90 90 PHE H H 1 8.907 0.02 . 1 . . . . 90 PHE HN . 7108 1 1040 . 1 1 90 90 PHE HA H 1 3.884 0.02 . 1 . . . . 90 PHE HA . 7108 1 1041 . 1 1 90 90 PHE HB2 H 1 3.063 0.02 . 2 . . . . 90 PHE HB1 . 7108 1 1042 . 1 1 90 90 PHE HB3 H 1 2.875 0.02 . 2 . . . . 90 PHE HB2 . 7108 1 1043 . 1 1 90 90 PHE HD1 H 1 6.991 0.02 . 3 . . . . 90 PHE HD1 . 7108 1 1044 . 1 1 90 90 PHE HE1 H 1 7.186 0.02 . 3 . . . . 90 PHE HE1 . 7108 1 1045 . 1 1 90 90 PHE C C 13 175.029 0.30 . 1 . . . . 90 PHE C . 7108 1 1046 . 1 1 90 90 PHE CA C 13 61.080 0.30 . 1 . . . . 90 PHE CA . 7108 1 1047 . 1 1 90 90 PHE CB C 13 39.420 0.30 . 1 . . . . 90 PHE CB . 7108 1 1048 . 1 1 90 90 PHE CD1 C 13 131.209 0.30 . 3 . . . . 90 PHE CD1 . 7108 1 1049 . 1 1 90 90 PHE N N 15 118.210 0.30 . 1 . . . . 90 PHE N . 7108 1 1050 . 1 1 91 91 LYS H H 1 5.920 0.02 . 1 . . . . 91 LYS HN . 7108 1 1051 . 1 1 91 91 LYS HA H 1 4.244 0.02 . 1 . . . . 91 LYS HA . 7108 1 1052 . 1 1 91 91 LYS HB2 H 1 1.141 0.02 . 2 . . . . 91 LYS HB1 . 7108 1 1053 . 1 1 91 91 LYS HB3 H 1 1.445 0.02 . 2 . . . . 91 LYS HB2 . 7108 1 1054 . 1 1 91 91 LYS HG2 H 1 1.188 0.02 . 2 . . . . 91 LYS HG2 . 7108 1 1055 . 1 1 91 91 LYS HD2 H 1 1.350 0.02 . 2 . . . . 91 LYS HD1 . 7108 1 1056 . 1 1 91 91 LYS HD3 H 1 1.588 0.02 . 2 . . . . 91 LYS HD2 . 7108 1 1057 . 1 1 91 91 LYS HE2 H 1 2.835 0.02 . 2 . . . . 91 LYS HE1 . 7108 1 1058 . 1 1 91 91 LYS HE3 H 1 2.904 0.02 . 2 . . . . 91 LYS HE2 . 7108 1 1059 . 1 1 91 91 LYS CA C 13 52.360 0.30 . 1 . . . . 91 LYS CA . 7108 1 1060 . 1 1 91 91 LYS CB C 13 36.410 0.30 . 1 . . . . 91 LYS CB . 7108 1 1061 . 1 1 91 91 LYS CG C 13 24.881 0.30 . 1 . . . . 91 LYS CG . 7108 1 1062 . 1 1 91 91 LYS CD C 13 28.797 0.30 . 1 . . . . 91 LYS CD . 7108 1 1063 . 1 1 91 91 LYS CE C 13 42.499 0.30 . 1 . . . . 91 LYS CE . 7108 1 1064 . 1 1 91 91 LYS N N 15 127.850 0.30 . 1 . . . . 91 LYS N . 7108 1 1065 . 1 1 92 92 PRO HA H 1 4.358 0.02 . 1 . . . . 92 PRO HA . 7108 1 1066 . 1 1 92 92 PRO HB2 H 1 2.419 0.02 . 2 . . . . 92 PRO HB1 . 7108 1 1067 . 1 1 92 92 PRO HB3 H 1 2.243 0.02 . 2 . . . . 92 PRO HB2 . 7108 1 1068 . 1 1 92 92 PRO HG2 H 1 1.833 0.02 . 2 . . . . 92 PRO HG1 . 7108 1 1069 . 1 1 92 92 PRO HG3 H 1 2.147 0.02 . 2 . . . . 92 PRO HG2 . 7108 1 1070 . 1 1 92 92 PRO HD2 H 1 3.408 0.02 . 2 . . . . 92 PRO HD1 . 7108 1 1071 . 1 1 92 92 PRO HD3 H 1 3.504 0.02 . 2 . . . . 92 PRO HD2 . 7108 1 1072 . 1 1 92 92 PRO C C 13 176.979 0.30 . 1 . . . . 92 PRO C . 7108 1 1073 . 1 1 92 92 PRO CA C 13 61.170 0.30 . 1 . . . . 92 PRO CA . 7108 1 1074 . 1 1 92 92 PRO CB C 13 33.100 0.30 . 1 . . . . 92 PRO CB . 7108 1 1075 . 1 1 92 92 PRO CG C 13 27.546 0.30 . 1 . . . . 92 PRO CG . 7108 1 1076 . 1 1 92 92 PRO CD C 13 50.002 0.30 . 1 . . . . 92 PRO CD . 7108 1 1077 . 1 1 93 93 LYS H H 1 8.951 0.02 . 1 . . . . 93 LYS HN . 7108 1 1078 . 1 1 93 93 LYS HA H 1 3.404 0.02 . 1 . . . . 93 LYS HA . 7108 1 1079 . 1 1 93 93 LYS HB2 H 1 1.913 0.02 . 2 . . . . 93 LYS HB1 . 7108 1 1080 . 1 1 93 93 LYS HB3 H 1 1.735 0.02 . 2 . . . . 93 LYS HB2 . 7108 1 1081 . 1 1 93 93 LYS HG2 H 1 1.234 0.02 . 2 . . . . 93 LYS HG2 . 7108 1 1082 . 1 1 93 93 LYS HD2 H 1 1.617 0.02 . 2 . . . . 93 LYS HD2 . 7108 1 1083 . 1 1 93 93 LYS HE2 H 1 2.730 0.02 . 2 . . . . 93 LYS HE1 . 7108 1 1084 . 1 1 93 93 LYS HE3 H 1 2.845 0.02 . 2 . . . . 93 LYS HE2 . 7108 1 1085 . 1 1 93 93 LYS C C 13 177.941 0.30 . 1 . . . . 93 LYS C . 7108 1 1086 . 1 1 93 93 LYS CA C 13 61.060 0.30 . 1 . . . . 93 LYS CA . 7108 1 1087 . 1 1 93 93 LYS CB C 13 32.500 0.30 . 1 . . . . 93 LYS CB . 7108 1 1088 . 1 1 93 93 LYS CG C 13 24.463 0.30 . 1 . . . . 93 LYS CG . 7108 1 1089 . 1 1 93 93 LYS CD C 13 29.327 0.30 . 1 . . . . 93 LYS CD . 7108 1 1090 . 1 1 93 93 LYS CE C 13 41.415 0.30 . 1 . . . . 93 LYS CE . 7108 1 1091 . 1 1 93 93 LYS N N 15 120.490 0.30 . 1 . . . . 93 LYS N . 7108 1 1092 . 1 1 94 94 GLU H H 1 9.644 0.02 . 1 . . . . 94 GLU HN . 7108 1 1093 . 1 1 94 94 GLU HA H 1 4.111 0.02 . 1 . . . . 94 GLU HA . 7108 1 1094 . 1 1 94 94 GLU HB2 H 1 1.996 0.02 . 2 . . . . 94 GLU HB2 . 7108 1 1095 . 1 1 94 94 GLU HG2 H 1 2.316 0.02 . 2 . . . . 94 GLU HG1 . 7108 1 1096 . 1 1 94 94 GLU HG3 H 1 2.436 0.02 . 2 . . . . 94 GLU HG2 . 7108 1 1097 . 1 1 94 94 GLU C C 13 178.775 0.30 . 1 . . . . 94 GLU C . 7108 1 1098 . 1 1 94 94 GLU CA C 13 60.300 0.30 . 1 . . . . 94 GLU CA . 7108 1 1099 . 1 1 94 94 GLU CB C 13 28.160 0.30 . 1 . . . . 94 GLU CB . 7108 1 1100 . 1 1 94 94 GLU CG C 13 36.520 0.30 . 1 . . . . 94 GLU CG . 7108 1 1101 . 1 1 94 94 GLU N N 15 116.170 0.30 . 1 . . . . 94 GLU N . 7108 1 1102 . 1 1 95 95 ALA H H 1 6.945 0.02 . 1 . . . . 95 ALA HN . 7108 1 1103 . 1 1 95 95 ALA HA H 1 4.279 0.02 . 1 . . . . 95 ALA HA . 7108 1 1104 . 1 1 95 95 ALA HB1 H 1 1.446 0.02 . 1 . . . . 95 ALA HB . 7108 1 1105 . 1 1 95 95 ALA HB2 H 1 1.446 0.02 . 1 . . . . 95 ALA HB . 7108 1 1106 . 1 1 95 95 ALA HB3 H 1 1.446 0.02 . 1 . . . . 95 ALA HB . 7108 1 1107 . 1 1 95 95 ALA C C 13 180.773 0.30 . 1 . . . . 95 ALA C . 7108 1 1108 . 1 1 95 95 ALA CA C 13 54.080 0.30 . 1 . . . . 95 ALA CA . 7108 1 1109 . 1 1 95 95 ALA CB C 13 18.820 0.30 . 1 . . . . 95 ALA CB . 7108 1 1110 . 1 1 95 95 ALA N N 15 121.330 0.30 . 1 . . . . 95 ALA N . 7108 1 1111 . 1 1 96 96 LEU H H 1 7.549 0.02 . 1 . . . . 96 LEU HN . 7108 1 1112 . 1 1 96 96 LEU HA H 1 3.952 0.02 . 1 . . . . 96 LEU HA . 7108 1 1113 . 1 1 96 96 LEU HB2 H 1 1.744 0.02 . 2 . . . . 96 LEU HB1 . 7108 1 1114 . 1 1 96 96 LEU HB3 H 1 1.074 0.02 . 2 . . . . 96 LEU HB2 . 7108 1 1115 . 1 1 96 96 LEU HG H 1 1.469 0.02 . 1 . . . . 96 LEU HG . 7108 1 1116 . 1 1 96 96 LEU HD11 H 1 0.591 0.02 . 2 . . . . 96 LEU HD1 . 7108 1 1117 . 1 1 96 96 LEU HD12 H 1 0.591 0.02 . 2 . . . . 96 LEU HD1 . 7108 1 1118 . 1 1 96 96 LEU HD13 H 1 0.591 0.02 . 2 . . . . 96 LEU HD1 . 7108 1 1119 . 1 1 96 96 LEU HD21 H 1 0.560 0.02 . 2 . . . . 96 LEU HD2 . 7108 1 1120 . 1 1 96 96 LEU HD22 H 1 0.560 0.02 . 2 . . . . 96 LEU HD2 . 7108 1 1121 . 1 1 96 96 LEU HD23 H 1 0.560 0.02 . 2 . . . . 96 LEU HD2 . 7108 1 1122 . 1 1 96 96 LEU C C 13 178.462 0.30 . 1 . . . . 96 LEU C . 7108 1 1123 . 1 1 96 96 LEU CA C 13 57.390 0.30 . 1 . . . . 96 LEU CA . 7108 1 1124 . 1 1 96 96 LEU CB C 13 41.840 0.30 . 1 . . . . 96 LEU CB . 7108 1 1125 . 1 1 96 96 LEU CG C 13 26.200 0.30 . 1 . . . . 96 LEU CG . 7108 1 1126 . 1 1 96 96 LEU CD1 C 13 25.895 0.30 . 1 . . . . 96 LEU CD1 . 7108 1 1127 . 1 1 96 96 LEU CD2 C 13 22.966 0.30 . 1 . . . . 96 LEU CD2 . 7108 1 1128 . 1 1 96 96 LEU N N 15 119.070 0.30 . 1 . . . . 96 LEU N . 7108 1 1129 . 1 1 97 97 GLN H H 1 8.707 0.02 . 1 . . . . 97 GLN HN . 7108 1 1130 . 1 1 97 97 GLN HA H 1 3.663 0.02 . 1 . . . . 97 GLN HA . 7108 1 1131 . 1 1 97 97 GLN HB2 H 1 2.080 0.02 . 2 . . . . 97 GLN HB1 . 7108 1 1132 . 1 1 97 97 GLN HB3 H 1 2.003 0.02 . 2 . . . . 97 GLN HB2 . 7108 1 1133 . 1 1 97 97 GLN HG2 H 1 2.202 0.02 . 2 . . . . 97 GLN HG1 . 7108 1 1134 . 1 1 97 97 GLN HG3 H 1 2.301 0.02 . 2 . . . . 97 GLN HG2 . 7108 1 1135 . 1 1 97 97 GLN HE21 H 1 7.349 0.02 . 2 . . . . 97 GLN HE21 . 7108 1 1136 . 1 1 97 97 GLN HE22 H 1 6.862 0.02 . 2 . . . . 97 GLN HE22 . 7108 1 1137 . 1 1 97 97 GLN C C 13 177.513 0.30 . 1 . . . . 97 GLN C . 7108 1 1138 . 1 1 97 97 GLN CA C 13 59.690 0.30 . 1 . . . . 97 GLN CA . 7108 1 1139 . 1 1 97 97 GLN CB C 13 28.630 0.30 . 1 . . . . 97 GLN CB . 7108 1 1140 . 1 1 97 97 GLN CG C 13 34.654 0.30 . 1 . . . . 97 GLN CG . 7108 1 1141 . 1 1 97 97 GLN N N 15 118.370 0.30 . 1 . . . . 97 GLN N . 7108 1 1142 . 1 1 97 97 GLN NE2 N 15 111.418 0.30 . 1 . . . . 97 GLN NE2 . 7108 1 1143 . 1 1 98 98 GLU H H 1 7.399 0.02 . 1 . . . . 98 GLU HN . 7108 1 1144 . 1 1 98 98 GLU HA H 1 3.981 0.02 . 1 . . . . 98 GLU HA . 7108 1 1145 . 1 1 98 98 GLU HB2 H 1 2.075 0.02 . 2 . . . . 98 GLU HB2 . 7108 1 1146 . 1 1 98 98 GLU HG2 H 1 2.221 0.02 . 2 . . . . 98 GLU HG1 . 7108 1 1147 . 1 1 98 98 GLU HG3 H 1 2.382 0.02 . 2 . . . . 98 GLU HG2 . 7108 1 1148 . 1 1 98 98 GLU C C 13 178.388 0.30 . 1 . . . . 98 GLU C . 7108 1 1149 . 1 1 98 98 GLU CA C 13 59.530 0.30 . 1 . . . . 98 GLU CA . 7108 1 1150 . 1 1 98 98 GLU CB C 13 29.490 0.30 . 1 . . . . 98 GLU CB . 7108 1 1151 . 1 1 98 98 GLU CG C 13 36.271 0.30 . 1 . . . . 98 GLU CG . 7108 1 1152 . 1 1 98 98 GLU N N 15 117.590 0.30 . 1 . . . . 98 GLU N . 7108 1 1153 . 1 1 99 99 LEU H H 1 7.256 0.02 . 1 . . . . 99 LEU HN . 7108 1 1154 . 1 1 99 99 LEU HA H 1 4.020 0.02 . 1 . . . . 99 LEU HA . 7108 1 1155 . 1 1 99 99 LEU HB2 H 1 1.822 0.02 . 2 . . . . 99 LEU HB1 . 7108 1 1156 . 1 1 99 99 LEU HB3 H 1 1.634 0.02 . 2 . . . . 99 LEU HB2 . 7108 1 1157 . 1 1 99 99 LEU HG H 1 1.703 0.02 . 1 . . . . 99 LEU HG . 7108 1 1158 . 1 1 99 99 LEU HD11 H 1 0.757 0.02 . 2 . . . . 99 LEU HD1 . 7108 1 1159 . 1 1 99 99 LEU HD12 H 1 0.757 0.02 . 2 . . . . 99 LEU HD1 . 7108 1 1160 . 1 1 99 99 LEU HD13 H 1 0.757 0.02 . 2 . . . . 99 LEU HD1 . 7108 1 1161 . 1 1 99 99 LEU HD21 H 1 0.823 0.02 . 2 . . . . 99 LEU HD2 . 7108 1 1162 . 1 1 99 99 LEU HD22 H 1 0.823 0.02 . 2 . . . . 99 LEU HD2 . 7108 1 1163 . 1 1 99 99 LEU HD23 H 1 0.823 0.02 . 2 . . . . 99 LEU HD2 . 7108 1 1164 . 1 1 99 99 LEU C C 13 177.856 0.30 . 1 . . . . 99 LEU C . 7108 1 1165 . 1 1 99 99 LEU CA C 13 57.860 0.30 . 1 . . . . 99 LEU CA . 7108 1 1166 . 1 1 99 99 LEU CB C 13 42.880 0.30 . 1 . . . . 99 LEU CB . 7108 1 1167 . 1 1 99 99 LEU CG C 13 26.205 0.30 . 1 . . . . 99 LEU CG . 7108 1 1168 . 1 1 99 99 LEU CD1 C 13 24.253 0.30 . 1 . . . . 99 LEU CD1 . 7108 1 1169 . 1 1 99 99 LEU CD2 C 13 24.659 0.30 . 1 . . . . 99 LEU CD2 . 7108 1 1170 . 1 1 99 99 LEU N N 15 117.900 0.30 . 1 . . . . 99 LEU N . 7108 1 1171 . 1 1 100 100 VAL H H 1 7.684 0.02 . 1 . . . . 100 VAL HN . 7108 1 1172 . 1 1 100 100 VAL HA H 1 3.791 0.02 . 1 . . . . 100 VAL HA . 7108 1 1173 . 1 1 100 100 VAL HB H 1 2.022 0.02 . 1 . . . . 100 VAL HB . 7108 1 1174 . 1 1 100 100 VAL HG11 H 1 0.925 0.02 . 2 . . . . 100 VAL HG1 . 7108 1 1175 . 1 1 100 100 VAL HG12 H 1 0.925 0.02 . 2 . . . . 100 VAL HG1 . 7108 1 1176 . 1 1 100 100 VAL HG13 H 1 0.925 0.02 . 2 . . . . 100 VAL HG1 . 7108 1 1177 . 1 1 100 100 VAL HG21 H 1 0.983 0.02 . 2 . . . . 100 VAL HG2 . 7108 1 1178 . 1 1 100 100 VAL HG22 H 1 0.983 0.02 . 2 . . . . 100 VAL HG2 . 7108 1 1179 . 1 1 100 100 VAL HG23 H 1 0.983 0.02 . 2 . . . . 100 VAL HG2 . 7108 1 1180 . 1 1 100 100 VAL C C 13 178.428 0.30 . 1 . . . . 100 VAL C . 7108 1 1181 . 1 1 100 100 VAL CA C 13 65.640 0.30 . 1 . . . . 100 VAL CA . 7108 1 1182 . 1 1 100 100 VAL CB C 13 32.310 0.30 . 1 . . . . 100 VAL CB . 7108 1 1183 . 1 1 100 100 VAL CG1 C 13 22.623 0.30 . 1 . . . . 100 VAL CG1 . 7108 1 1184 . 1 1 100 100 VAL CG2 C 13 21.670 0.30 . 1 . . . . 100 VAL CG2 . 7108 1 1185 . 1 1 100 100 VAL N N 15 112.020 0.30 . 1 . . . . 100 VAL N . 7108 1 1186 . 1 1 101 101 ASN H H 1 8.555 0.02 . 1 . . . . 101 ASN HN . 7108 1 1187 . 1 1 101 101 ASN HA H 1 4.440 0.02 . 1 . . . . 101 ASN HA . 7108 1 1188 . 1 1 101 101 ASN HB2 H 1 2.872 0.02 . 2 . . . . 101 ASN HB1 . 7108 1 1189 . 1 1 101 101 ASN HB3 H 1 2.689 0.02 . 2 . . . . 101 ASN HB2 . 7108 1 1190 . 1 1 101 101 ASN HD21 H 1 7.314 0.02 . 2 . . . . 101 ASN HD21 . 7108 1 1191 . 1 1 101 101 ASN HD22 H 1 6.662 0.02 . 2 . . . . 101 ASN HD22 . 7108 1 1192 . 1 1 101 101 ASN C C 13 177.764 0.30 . 1 . . . . 101 ASN C . 7108 1 1193 . 1 1 101 101 ASN CA C 13 55.890 0.30 . 1 . . . . 101 ASN CA . 7108 1 1194 . 1 1 101 101 ASN CB C 13 38.070 0.30 . 1 . . . . 101 ASN CB . 7108 1 1195 . 1 1 101 101 ASN N N 15 118.330 0.30 . 1 . . . . 101 ASN N . 7108 1 1196 . 1 1 101 101 ASN ND2 N 15 108.994 0.30 . 1 . . . . 101 ASN ND2 . 7108 1 1197 . 1 1 102 102 LYS H H 1 7.234 0.02 . 1 . . . . 102 LYS HN . 7108 1 1198 . 1 1 102 102 LYS HA H 1 4.024 0.02 . 1 . . . . 102 LYS HA . 7108 1 1199 . 1 1 102 102 LYS HB2 H 1 1.631 0.02 . 2 . . . . 102 LYS HB1 . 7108 1 1200 . 1 1 102 102 LYS HB3 H 1 1.470 0.02 . 2 . . . . 102 LYS HB2 . 7108 1 1201 . 1 1 102 102 LYS HG2 H 1 1.187 0.02 . 2 . . . . 102 LYS HG1 . 7108 1 1202 . 1 1 102 102 LYS HG3 H 1 1.147 0.02 . 2 . . . . 102 LYS HG2 . 7108 1 1203 . 1 1 102 102 LYS HD2 H 1 1.612 0.02 . 2 . . . . 102 LYS HD2 . 7108 1 1204 . 1 1 102 102 LYS HE2 H 1 2.870 0.02 . 2 . . . . 102 LYS HE1 . 7108 1 1205 . 1 1 102 102 LYS HE3 H 1 2.952 0.02 . 2 . . . . 102 LYS HE2 . 7108 1 1206 . 1 1 102 102 LYS C C 13 176.616 0.30 . 1 . . . . 102 LYS C . 7108 1 1207 . 1 1 102 102 LYS CA C 13 58.190 0.30 . 1 . . . . 102 LYS CA . 7108 1 1208 . 1 1 102 102 LYS CB C 13 32.250 0.30 . 1 . . . . 102 LYS CB . 7108 1 1209 . 1 1 102 102 LYS CG C 13 24.268 0.30 . 1 . . . . 102 LYS CG . 7108 1 1210 . 1 1 102 102 LYS CD C 13 29.424 0.30 . 1 . . . . 102 LYS CD . 7108 1 1211 . 1 1 102 102 LYS CE C 13 41.914 0.30 . 1 . . . . 102 LYS CE . 7108 1 1212 . 1 1 102 102 LYS N N 15 116.330 0.30 . 1 . . . . 102 LYS N . 7108 1 1213 . 1 1 103 103 HIS H H 1 7.789 0.02 . 1 . . . . 103 HIS HN . 7108 1 1214 . 1 1 103 103 HIS HA H 1 4.704 0.02 . 1 . . . . 103 HIS HA . 7108 1 1215 . 1 1 103 103 HIS HB2 H 1 3.319 0.02 . 2 . . . . 103 HIS HB1 . 7108 1 1216 . 1 1 103 103 HIS HB3 H 1 2.673 0.02 . 2 . . . . 103 HIS HB2 . 7108 1 1217 . 1 1 103 103 HIS HD2 H 1 7.558 0.02 . 3 . . . . 103 HIS HD2 . 7108 1 1218 . 1 1 103 103 HIS HE1 H 1 8.196 0.02 . 3 . . . . 103 HIS HE1 . 7108 1 1219 . 1 1 103 103 HIS C C 13 173.301 0.30 . 1 . . . . 103 HIS C . 7108 1 1220 . 1 1 103 103 HIS CA C 13 55.980 0.30 . 1 . . . . 103 HIS CA . 7108 1 1221 . 1 1 103 103 HIS CB C 13 31.750 0.30 . 1 . . . . 103 HIS CB . 7108 1 1222 . 1 1 103 103 HIS CE1 C 13 138.372 0.30 . 1 . . . . 103 HIS CE1 . 7108 1 1223 . 1 1 103 103 HIS N N 15 115.820 0.30 . 1 . . . . 103 HIS N . 7108 1 1224 . 1 1 104 104 LEU H H 1 7.047 0.02 . 1 . . . . 104 LEU HN . 7108 1 1225 . 1 1 104 104 LEU HA H 1 4.222 0.02 . 1 . . . . 104 LEU HA . 7108 1 1226 . 1 1 104 104 LEU HB2 H 1 1.640 0.02 . 2 . . . . 104 LEU HB2 . 7108 1 1227 . 1 1 104 104 LEU HG H 1 1.797 0.02 . 1 . . . . 104 LEU HG . 7108 1 1228 . 1 1 104 104 LEU HD11 H 1 0.885 0.02 . 2 . . . . 104 LEU HD1 . 7108 1 1229 . 1 1 104 104 LEU HD12 H 1 0.885 0.02 . 2 . . . . 104 LEU HD1 . 7108 1 1230 . 1 1 104 104 LEU HD13 H 1 0.885 0.02 . 2 . . . . 104 LEU HD1 . 7108 1 1231 . 1 1 104 104 LEU HD21 H 1 0.865 0.02 . 2 . . . . 104 LEU HD2 . 7108 1 1232 . 1 1 104 104 LEU HD22 H 1 0.865 0.02 . 2 . . . . 104 LEU HD2 . 7108 1 1233 . 1 1 104 104 LEU HD23 H 1 0.865 0.02 . 2 . . . . 104 LEU HD2 . 7108 1 1234 . 1 1 104 104 LEU CA C 13 56.880 0.30 . 1 . . . . 104 LEU CA . 7108 1 1235 . 1 1 104 104 LEU CB C 13 43.780 0.30 . 1 . . . . 104 LEU CB . 7108 1 1236 . 1 1 104 104 LEU CG C 13 26.750 0.30 . 1 . . . . 104 LEU CG . 7108 1 1237 . 1 1 104 104 LEU CD1 C 13 26.241 0.30 . 1 . . . . 104 LEU CD1 . 7108 1 1238 . 1 1 104 104 LEU CD2 C 13 23.691 0.30 . 1 . . . . 104 LEU CD2 . 7108 1 1239 . 1 1 104 104 LEU N N 15 125.840 0.30 . 1 . . . . 104 LEU N . 7108 1 stop_ save_