data_7109 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7109 _Entry.Title ; 1H, 13C and 15N chemical shift assignments for TrxA (oxidized 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 . . . 7109 2 Changwen Jin . . . 7109 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7109 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 420 7109 '15N chemical shifts' 105 7109 '1H chemical shifts' 692 7109 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 . 7109 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GZZ 'BMRB Entry Tracking System' 7109 . 15028 'Trx-ArsC complex' 7109 . 7108 'TrxA monomer (reduced form)' 7109 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7109 _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 . . . 7109 1 2 Y. Hu . . . 7109 1 3 X. Zhang . . . 7109 1 4 H. Xu . . . 7109 1 5 E. Lescop . . . 7109 1 6 B. Xia . . . 7109 1 7 C. Jin . . . 7109 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7109 _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 disulfide bound' _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 . . . 7109 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 32 32 SG . . . . . . . . . . 7109 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TrxA_monomer _Entity.Sf_category entity _Entity.Sf_framecode TrxA_monomer _Entity.Entry_ID 7109 _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 disulfide bound' _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 . . . . 7109 1 2 no BMRB 7108 . TrxA_monomer . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7109 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 . . . . 7109 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 . . . . 7109 1 5 no PDB 2IPA . "Solution Structure Of Trx-Arsc Complex" . . . . . 100.00 104 99.04 99.04 1.35e-66 . . . . 7109 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 . . . . 7109 1 7 no DBJ BAI86356 . "thioredoxin [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7109 1 8 no DBJ BAM54098 . "thioredoxin [Bacillus subtilis BEST7613]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7109 1 9 no DBJ BAM58927 . "thioredoxin [Bacillus subtilis BEST7003]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7109 1 10 no DBJ GAK79977 . "thioredoxin [Bacillus subtilis Miyagi-4]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7109 1 11 no EMBL CAA99577 . "thioredoxin [Bacillus subtilis]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7109 1 12 no EMBL CAB14810 . "thioredoxin [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7109 1 13 no EMBL CBI43781 . "thioredoxin [Bacillus amyloliquefaciens DSM 7]" . . . . . 100.00 104 99.04 100.00 3.49e-67 . . . . 7109 1 14 no EMBL CCF06106 . "thioredoxin [Bacillus amyloliquefaciens subsp. plantarum CAU B946]" . . . . . 100.00 104 99.04 100.00 3.49e-67 . . . . 7109 1 15 no EMBL CCG50792 . "thioredoxin [Bacillus amyloliquefaciens subsp. plantarum YAU B9601-Y2]" . . . . . 100.00 104 99.04 100.00 3.49e-67 . . . . 7109 1 16 no GB AAA87315 . "thioredoxin [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7109 1 17 no GB AAU24505 . "thioredoxin [Bacillus licheniformis DSM 13 = ATCC 14580]" . . . . . 100.00 104 97.12 100.00 2.68e-66 . . . . 7109 1 18 no GB AAU41865 . "thioredoxin TrxA [Bacillus licheniformis DSM 13 = ATCC 14580]" . . . . . 100.00 104 97.12 100.00 2.68e-66 . . . . 7109 1 19 no GB ABS74914 . "TrxA [Bacillus amyloliquefaciens subsp. plantarum str. FZB42]" . . . . . 100.00 104 99.04 100.00 3.49e-67 . . . . 7109 1 20 no GB ADM38802 . "thioredoxin [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7109 1 21 no REF NP_390728 . "thioredoxin [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7109 1 22 no REF WP_003152560 . "MULTISPECIES: thioredoxin [Bacillales]" . . . . . 100.00 104 99.04 100.00 3.49e-67 . . . . 7109 1 23 no REF WP_003184189 . "MULTISPECIES: thioredoxin [Bacillus]" . . . . . 100.00 104 97.12 100.00 2.68e-66 . . . . 7109 1 24 no REF WP_003222500 . "MULTISPECIES: thioredoxin [Bacillales]" . . . . . 100.00 104 100.00 100.00 8.26e-68 . . . . 7109 1 25 no REF WP_003325184 . "MULTISPECIES: thioredoxin [Bacillus subtilis group]" . . . . . 100.00 104 98.08 100.00 5.51e-67 . . . . 7109 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 . . . . 7109 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 . 7109 1 2 2 ALA . 7109 1 3 3 ILE . 7109 1 4 4 VAL . 7109 1 5 5 LYS . 7109 1 6 6 ALA . 7109 1 7 7 THR . 7109 1 8 8 ASP . 7109 1 9 9 GLN . 7109 1 10 10 SER . 7109 1 11 11 PHE . 7109 1 12 12 SER . 7109 1 13 13 ALA . 7109 1 14 14 GLU . 7109 1 15 15 THR . 7109 1 16 16 SER . 7109 1 17 17 GLU . 7109 1 18 18 GLY . 7109 1 19 19 VAL . 7109 1 20 20 VAL . 7109 1 21 21 LEU . 7109 1 22 22 ALA . 7109 1 23 23 ASP . 7109 1 24 24 PHE . 7109 1 25 25 TRP . 7109 1 26 26 ALA . 7109 1 27 27 PRO . 7109 1 28 28 TRP . 7109 1 29 29 CYS . 7109 1 30 30 GLY . 7109 1 31 31 PRO . 7109 1 32 32 CYS . 7109 1 33 33 LYS . 7109 1 34 34 MET . 7109 1 35 35 ILE . 7109 1 36 36 ALA . 7109 1 37 37 PRO . 7109 1 38 38 VAL . 7109 1 39 39 LEU . 7109 1 40 40 GLU . 7109 1 41 41 GLU . 7109 1 42 42 LEU . 7109 1 43 43 ASP . 7109 1 44 44 GLN . 7109 1 45 45 GLU . 7109 1 46 46 MET . 7109 1 47 47 GLY . 7109 1 48 48 ASP . 7109 1 49 49 LYS . 7109 1 50 50 LEU . 7109 1 51 51 LYS . 7109 1 52 52 ILE . 7109 1 53 53 VAL . 7109 1 54 54 LYS . 7109 1 55 55 ILE . 7109 1 56 56 ASP . 7109 1 57 57 VAL . 7109 1 58 58 ASP . 7109 1 59 59 GLU . 7109 1 60 60 ASN . 7109 1 61 61 GLN . 7109 1 62 62 GLU . 7109 1 63 63 THR . 7109 1 64 64 ALA . 7109 1 65 65 GLY . 7109 1 66 66 LYS . 7109 1 67 67 TYR . 7109 1 68 68 GLY . 7109 1 69 69 VAL . 7109 1 70 70 MET . 7109 1 71 71 SER . 7109 1 72 72 ILE . 7109 1 73 73 PRO . 7109 1 74 74 THR . 7109 1 75 75 LEU . 7109 1 76 76 LEU . 7109 1 77 77 VAL . 7109 1 78 78 LEU . 7109 1 79 79 LYS . 7109 1 80 80 ASP . 7109 1 81 81 GLY . 7109 1 82 82 GLU . 7109 1 83 83 VAL . 7109 1 84 84 VAL . 7109 1 85 85 GLU . 7109 1 86 86 THR . 7109 1 87 87 SER . 7109 1 88 88 VAL . 7109 1 89 89 GLY . 7109 1 90 90 PHE . 7109 1 91 91 LYS . 7109 1 92 92 PRO . 7109 1 93 93 LYS . 7109 1 94 94 GLU . 7109 1 95 95 ALA . 7109 1 96 96 LEU . 7109 1 97 97 GLN . 7109 1 98 98 GLU . 7109 1 99 99 LEU . 7109 1 100 100 VAL . 7109 1 101 101 ASN . 7109 1 102 102 LYS . 7109 1 103 103 HIS . 7109 1 104 104 LEU . 7109 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 7109 1 . ALA 2 2 7109 1 . ILE 3 3 7109 1 . VAL 4 4 7109 1 . LYS 5 5 7109 1 . ALA 6 6 7109 1 . THR 7 7 7109 1 . ASP 8 8 7109 1 . GLN 9 9 7109 1 . SER 10 10 7109 1 . PHE 11 11 7109 1 . SER 12 12 7109 1 . ALA 13 13 7109 1 . GLU 14 14 7109 1 . THR 15 15 7109 1 . SER 16 16 7109 1 . GLU 17 17 7109 1 . GLY 18 18 7109 1 . VAL 19 19 7109 1 . VAL 20 20 7109 1 . LEU 21 21 7109 1 . ALA 22 22 7109 1 . ASP 23 23 7109 1 . PHE 24 24 7109 1 . TRP 25 25 7109 1 . ALA 26 26 7109 1 . PRO 27 27 7109 1 . TRP 28 28 7109 1 . CYS 29 29 7109 1 . GLY 30 30 7109 1 . PRO 31 31 7109 1 . CYS 32 32 7109 1 . LYS 33 33 7109 1 . MET 34 34 7109 1 . ILE 35 35 7109 1 . ALA 36 36 7109 1 . PRO 37 37 7109 1 . VAL 38 38 7109 1 . LEU 39 39 7109 1 . GLU 40 40 7109 1 . GLU 41 41 7109 1 . LEU 42 42 7109 1 . ASP 43 43 7109 1 . GLN 44 44 7109 1 . GLU 45 45 7109 1 . MET 46 46 7109 1 . GLY 47 47 7109 1 . ASP 48 48 7109 1 . LYS 49 49 7109 1 . LEU 50 50 7109 1 . LYS 51 51 7109 1 . ILE 52 52 7109 1 . VAL 53 53 7109 1 . LYS 54 54 7109 1 . ILE 55 55 7109 1 . ASP 56 56 7109 1 . VAL 57 57 7109 1 . ASP 58 58 7109 1 . GLU 59 59 7109 1 . ASN 60 60 7109 1 . GLN 61 61 7109 1 . GLU 62 62 7109 1 . THR 63 63 7109 1 . ALA 64 64 7109 1 . GLY 65 65 7109 1 . LYS 66 66 7109 1 . TYR 67 67 7109 1 . GLY 68 68 7109 1 . VAL 69 69 7109 1 . MET 70 70 7109 1 . SER 71 71 7109 1 . ILE 72 72 7109 1 . PRO 73 73 7109 1 . THR 74 74 7109 1 . LEU 75 75 7109 1 . LEU 76 76 7109 1 . VAL 77 77 7109 1 . LEU 78 78 7109 1 . LYS 79 79 7109 1 . ASP 80 80 7109 1 . GLY 81 81 7109 1 . GLU 82 82 7109 1 . VAL 83 83 7109 1 . VAL 84 84 7109 1 . GLU 85 85 7109 1 . THR 86 86 7109 1 . SER 87 87 7109 1 . VAL 88 88 7109 1 . GLY 89 89 7109 1 . PHE 90 90 7109 1 . LYS 91 91 7109 1 . PRO 92 92 7109 1 . LYS 93 93 7109 1 . GLU 94 94 7109 1 . ALA 95 95 7109 1 . LEU 96 96 7109 1 . GLN 97 97 7109 1 . GLU 98 98 7109 1 . LEU 99 99 7109 1 . VAL 100 100 7109 1 . ASN 101 101 7109 1 . LYS 102 102 7109 1 . HIS 103 103 7109 1 . LEU 104 104 7109 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 7109 _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 . . . . . . . . . . . . . . . . . . . . . 7109 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 7109 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7109 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7109 _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 . . . 7109 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 7109 _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 7109 1 pH 6.85 0.1 pH 7109 1 pressure 1 . atm 7109 1 temperature 298 0.5 K 7109 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7109 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7109 _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 7109 _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 . . . . . . . . . . . . . . . . . . . . . 7109 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7109 1 3 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7109 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 7109 _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 7109 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7109 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7109 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 7109 _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 7109 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 4.154 0.02 . 1 . . . . 2 ALA HA . 7109 1 2 . 1 1 2 2 ALA HB1 H 1 1.448 0.02 . 1 . . . . 2 ALA HB . 7109 1 3 . 1 1 2 2 ALA HB2 H 1 1.448 0.02 . 1 . . . . 2 ALA HB . 7109 1 4 . 1 1 2 2 ALA HB3 H 1 1.448 0.02 . 1 . . . . 2 ALA HB . 7109 1 5 . 1 1 2 2 ALA C C 13 173.432 0.30 . 1 . . . . 2 ALA C . 7109 1 6 . 1 1 2 2 ALA CA C 13 51.628 0.30 . 1 . . . . 2 ALA CA . 7109 1 7 . 1 1 2 2 ALA CB C 13 19.714 0.30 . 1 . . . . 2 ALA CB . 7109 1 8 . 1 1 3 3 ILE H H 1 8.634 0.02 . 1 . . . . 3 ILE HN . 7109 1 9 . 1 1 3 3 ILE HA H 1 4.565 0.02 . 1 . . . . 3 ILE HA . 7109 1 10 . 1 1 3 3 ILE HB H 1 1.621 0.02 . 1 . . . . 3 ILE HB . 7109 1 11 . 1 1 3 3 ILE HG12 H 1 0.771 0.02 . 1 . . . . 3 ILE HG11 . 7109 1 12 . 1 1 3 3 ILE HG13 H 1 1.562 0.02 . 1 . . . . 3 ILE HG12 . 7109 1 13 . 1 1 3 3 ILE HG21 H 1 0.628 0.02 . 1 . . . . 3 ILE HG2 . 7109 1 14 . 1 1 3 3 ILE HG22 H 1 0.628 0.02 . 1 . . . . 3 ILE HG2 . 7109 1 15 . 1 1 3 3 ILE HG23 H 1 0.628 0.02 . 1 . . . . 3 ILE HG2 . 7109 1 16 . 1 1 3 3 ILE HD11 H 1 0.707 0.02 . 1 . . . . 3 ILE HD1 . 7109 1 17 . 1 1 3 3 ILE HD12 H 1 0.707 0.02 . 1 . . . . 3 ILE HD1 . 7109 1 18 . 1 1 3 3 ILE HD13 H 1 0.707 0.02 . 1 . . . . 3 ILE HD1 . 7109 1 19 . 1 1 3 3 ILE C C 13 176.149 0.30 . 1 . . . . 3 ILE C . 7109 1 20 . 1 1 3 3 ILE CA C 13 61.456 0.30 . 1 . . . . 3 ILE CA . 7109 1 21 . 1 1 3 3 ILE CB C 13 38.165 0.30 . 1 . . . . 3 ILE CB . 7109 1 22 . 1 1 3 3 ILE CG1 C 13 28.145 0.30 . 2 . . . . 3 ILE CG1 . 7109 1 23 . 1 1 3 3 ILE CG2 C 13 17.177 0.30 . 1 . . . . 3 ILE CG2 . 7109 1 24 . 1 1 3 3 ILE CD1 C 13 13.484 0.30 . 1 . . . . 3 ILE CD1 . 7109 1 25 . 1 1 3 3 ILE N N 15 122.937 0.30 . 1 . . . . 3 ILE N . 7109 1 26 . 1 1 4 4 VAL H H 1 8.941 0.02 . 1 . . . . 4 VAL HN . 7109 1 27 . 1 1 4 4 VAL HA H 1 4.332 0.02 . 1 . . . . 4 VAL HA . 7109 1 28 . 1 1 4 4 VAL HB H 1 1.996 0.02 . 1 . . . . 4 VAL HB . 7109 1 29 . 1 1 4 4 VAL HG11 H 1 0.843 0.02 . 2 . . . . 4 VAL HG1 . 7109 1 30 . 1 1 4 4 VAL HG12 H 1 0.843 0.02 . 2 . . . . 4 VAL HG1 . 7109 1 31 . 1 1 4 4 VAL HG13 H 1 0.843 0.02 . 2 . . . . 4 VAL HG1 . 7109 1 32 . 1 1 4 4 VAL HG21 H 1 0.891 0.02 . 2 . . . . 4 VAL HG2 . 7109 1 33 . 1 1 4 4 VAL HG22 H 1 0.891 0.02 . 2 . . . . 4 VAL HG2 . 7109 1 34 . 1 1 4 4 VAL HG23 H 1 0.891 0.02 . 2 . . . . 4 VAL HG2 . 7109 1 35 . 1 1 4 4 VAL C C 13 174.405 0.30 . 1 . . . . 4 VAL C . 7109 1 36 . 1 1 4 4 VAL CA C 13 60.930 0.30 . 1 . . . . 4 VAL CA . 7109 1 37 . 1 1 4 4 VAL CB C 13 35.320 0.30 . 1 . . . . 4 VAL CB . 7109 1 38 . 1 1 4 4 VAL CG1 C 13 20.676 0.30 . 1 . . . . 4 VAL CG1 . 7109 1 39 . 1 1 4 4 VAL CG2 C 13 20.676 0.30 . 1 . . . . 4 VAL CG2 . 7109 1 40 . 1 1 4 4 VAL N N 15 128.424 0.30 . 1 . . . . 4 VAL N . 7109 1 41 . 1 1 5 5 LYS H H 1 8.584 0.02 . 1 . . . . 5 LYS HN . 7109 1 42 . 1 1 5 5 LYS HA H 1 4.828 0.02 . 1 . . . . 5 LYS HA . 7109 1 43 . 1 1 5 5 LYS HB2 H 1 1.818 0.02 . 2 . . . . 5 LYS HB2 . 7109 1 44 . 1 1 5 5 LYS HG2 H 1 1.274 0.02 . 2 . . . . 5 LYS HG1 . 7109 1 45 . 1 1 5 5 LYS HG3 H 1 1.574 0.02 . 2 . . . . 5 LYS HG2 . 7109 1 46 . 1 1 5 5 LYS HD2 H 1 1.752 0.02 . 2 . . . . 5 LYS HD2 . 7109 1 47 . 1 1 5 5 LYS HE2 H 1 2.988 0.02 . 2 . . . . 5 LYS HE1 . 7109 1 48 . 1 1 5 5 LYS HE3 H 1 3.066 0.02 . 2 . . . . 5 LYS HE2 . 7109 1 49 . 1 1 5 5 LYS C C 13 175.670 0.30 . 1 . . . . 5 LYS C . 7109 1 50 . 1 1 5 5 LYS CA C 13 55.996 0.30 . 1 . . . . 5 LYS CA . 7109 1 51 . 1 1 5 5 LYS CB C 13 33.298 0.30 . 1 . . . . 5 LYS CB . 7109 1 52 . 1 1 5 5 LYS CG C 13 25.295 0.30 . 1 . . . . 5 LYS CG . 7109 1 53 . 1 1 5 5 LYS CD C 13 29.792 0.30 . 1 . . . . 5 LYS CD . 7109 1 54 . 1 1 5 5 LYS CE C 13 42.281 0.30 . 1 . . . . 5 LYS CE . 7109 1 55 . 1 1 5 5 LYS N N 15 126.221 0.30 . 1 . . . . 5 LYS N . 7109 1 56 . 1 1 6 6 ALA H H 1 8.857 0.02 . 1 . . . . 6 ALA HN . 7109 1 57 . 1 1 6 6 ALA HA H 1 4.756 0.02 . 1 . . . . 6 ALA HA . 7109 1 58 . 1 1 6 6 ALA HB1 H 1 1.237 0.02 . 1 . . . . 6 ALA HB . 7109 1 59 . 1 1 6 6 ALA HB2 H 1 1.237 0.02 . 1 . . . . 6 ALA HB . 7109 1 60 . 1 1 6 6 ALA HB3 H 1 1.237 0.02 . 1 . . . . 6 ALA HB . 7109 1 61 . 1 1 6 6 ALA C C 13 174.350 0.30 . 1 . . . . 6 ALA C . 7109 1 62 . 1 1 6 6 ALA CA C 13 50.174 0.30 . 1 . . . . 6 ALA CA . 7109 1 63 . 1 1 6 6 ALA CB C 13 23.325 0.30 . 1 . . . . 6 ALA CB . 7109 1 64 . 1 1 6 6 ALA N N 15 127.167 0.30 . 1 . . . . 6 ALA N . 7109 1 65 . 1 1 7 7 THR H H 1 7.997 0.02 . 1 . . . . 7 THR HN . 7109 1 66 . 1 1 7 7 THR HA H 1 4.712 0.02 . 1 . . . . 7 THR HA . 7109 1 67 . 1 1 7 7 THR HB H 1 4.796 0.02 . 1 . . . . 7 THR HB . 7109 1 68 . 1 1 7 7 THR HG21 H 1 1.250 0.02 . 1 . . . . 7 THR HG2 . 7109 1 69 . 1 1 7 7 THR HG22 H 1 1.250 0.02 . 1 . . . . 7 THR HG2 . 7109 1 70 . 1 1 7 7 THR HG23 H 1 1.250 0.02 . 1 . . . . 7 THR HG2 . 7109 1 71 . 1 1 7 7 THR C C 13 175.722 0.30 . 1 . . . . 7 THR C . 7109 1 72 . 1 1 7 7 THR CA C 13 59.124 0.30 . 1 . . . . 7 THR CA . 7109 1 73 . 1 1 7 7 THR CB C 13 73.695 0.30 . 1 . . . . 7 THR CB . 7109 1 74 . 1 1 7 7 THR CG2 C 13 21.534 0.30 . 1 . . . . 7 THR CG2 . 7109 1 75 . 1 1 7 7 THR N N 15 108.168 0.30 . 1 . . . . 7 THR N . 7109 1 76 . 1 1 8 8 ASP H H 1 8.860 0.02 . 1 . . . . 8 ASP HN . 7109 1 77 . 1 1 8 8 ASP HA H 1 4.453 0.02 . 1 . . . . 8 ASP HA . 7109 1 78 . 1 1 8 8 ASP HB2 H 1 2.771 0.02 . 2 . . . . 8 ASP HB2 . 7109 1 79 . 1 1 8 8 ASP C C 13 178.361 0.30 . 1 . . . . 8 ASP C . 7109 1 80 . 1 1 8 8 ASP CA C 13 57.762 0.30 . 1 . . . . 8 ASP CA . 7109 1 81 . 1 1 8 8 ASP CB C 13 41.400 0.30 . 1 . . . . 8 ASP CB . 7109 1 82 . 1 1 8 8 ASP N N 15 120.132 0.30 . 1 . . . . 8 ASP N . 7109 1 83 . 1 1 9 9 GLN H H 1 8.084 0.02 . 1 . . . . 9 GLN HN . 7109 1 84 . 1 1 9 9 GLN HA H 1 4.269 0.02 . 1 . . . . 9 GLN HA . 7109 1 85 . 1 1 9 9 GLN HB2 H 1 2.091 0.02 . 2 . . . . 9 GLN HB2 . 7109 1 86 . 1 1 9 9 GLN HG2 H 1 2.488 0.02 . 2 . . . . 9 GLN HG1 . 7109 1 87 . 1 1 9 9 GLN HG3 H 1 2.574 0.02 . 2 . . . . 9 GLN HG2 . 7109 1 88 . 1 1 9 9 GLN HE21 H 1 7.654 0.02 . 2 . . . . 9 GLN HE21 . 7109 1 89 . 1 1 9 9 GLN HE22 H 1 6.969 0.02 . 2 . . . . 9 GLN HE22 . 7109 1 90 . 1 1 9 9 GLN C C 13 177.294 0.30 . 1 . . . . 9 GLN C . 7109 1 91 . 1 1 9 9 GLN CA C 13 58.464 0.30 . 1 . . . . 9 GLN CA . 7109 1 92 . 1 1 9 9 GLN CB C 13 28.811 0.30 . 1 . . . . 9 GLN CB . 7109 1 93 . 1 1 9 9 GLN CG C 13 34.422 0.30 . 1 . . . . 9 GLN CG . 7109 1 94 . 1 1 9 9 GLN N N 15 115.921 0.30 . 1 . . . . 9 GLN N . 7109 1 95 . 1 1 9 9 GLN NE2 N 15 112.812 0.30 . 1 . . . . 9 GLN NE2 . 7109 1 96 . 1 1 10 10 SER H H 1 7.836 0.02 . 1 . . . . 10 SER HN . 7109 1 97 . 1 1 10 10 SER HA H 1 4.819 0.02 . 1 . . . . 10 SER HA . 7109 1 98 . 1 1 10 10 SER HB2 H 1 3.760 0.02 . 2 . . . . 10 SER HB1 . 7109 1 99 . 1 1 10 10 SER HB3 H 1 4.389 0.02 . 2 . . . . 10 SER HB2 . 7109 1 100 . 1 1 10 10 SER C C 13 175.521 0.30 . 1 . . . . 10 SER C . 7109 1 101 . 1 1 10 10 SER CA C 13 58.411 0.30 . 1 . . . . 10 SER CA . 7109 1 102 . 1 1 10 10 SER CB C 13 66.065 0.30 . 1 . . . . 10 SER CB . 7109 1 103 . 1 1 10 10 SER N N 15 114.056 0.30 . 1 . . . . 10 SER N . 7109 1 104 . 1 1 11 11 PHE H H 1 8.567 0.02 . 1 . . . . 11 PHE HN . 7109 1 105 . 1 1 11 11 PHE HA H 1 3.637 0.02 . 1 . . . . 11 PHE HA . 7109 1 106 . 1 1 11 11 PHE HB2 H 1 3.058 0.02 . 2 . . . . 11 PHE HB1 . 7109 1 107 . 1 1 11 11 PHE HB3 H 1 3.156 0.02 . 2 . . . . 11 PHE HB2 . 7109 1 108 . 1 1 11 11 PHE HD1 H 1 6.861 0.02 . 3 . . . . 11 PHE HD1 . 7109 1 109 . 1 1 11 11 PHE C C 13 178.386 0.30 . 1 . . . . 11 PHE C . 7109 1 110 . 1 1 11 11 PHE CA C 13 64.528 0.30 . 1 . . . . 11 PHE CA . 7109 1 111 . 1 1 11 11 PHE CB C 13 39.135 0.30 . 1 . . . . 11 PHE CB . 7109 1 112 . 1 1 11 11 PHE N N 15 124.006 0.30 . 1 . . . . 11 PHE N . 7109 1 113 . 1 1 12 12 SER H H 1 9.391 0.02 . 1 . . . . 12 SER HN . 7109 1 114 . 1 1 12 12 SER HA H 1 3.986 0.02 . 1 . . . . 12 SER HA . 7109 1 115 . 1 1 12 12 SER HB2 H 1 3.876 0.02 . 2 . . . . 12 SER HB2 . 7109 1 116 . 1 1 12 12 SER C C 13 176.383 0.30 . 1 . . . . 12 SER C . 7109 1 117 . 1 1 12 12 SER CA C 13 62.304 0.30 . 1 . . . . 12 SER CA . 7109 1 118 . 1 1 12 12 SER N N 15 115.900 0.30 . 1 . . . . 12 SER N . 7109 1 119 . 1 1 13 13 ALA H H 1 8.229 0.02 . 1 . . . . 13 ALA HN . 7109 1 120 . 1 1 13 13 ALA HA H 1 4.150 0.02 . 1 . . . . 13 ALA HA . 7109 1 121 . 1 1 13 13 ALA HB1 H 1 1.471 0.02 . 1 . . . . 13 ALA HB . 7109 1 122 . 1 1 13 13 ALA HB2 H 1 1.471 0.02 . 1 . . . . 13 ALA HB . 7109 1 123 . 1 1 13 13 ALA HB3 H 1 1.471 0.02 . 1 . . . . 13 ALA HB . 7109 1 124 . 1 1 13 13 ALA C C 13 181.233 0.30 . 1 . . . . 13 ALA C . 7109 1 125 . 1 1 13 13 ALA CA C 13 54.911 0.30 . 1 . . . . 13 ALA CA . 7109 1 126 . 1 1 13 13 ALA CB C 13 18.223 0.30 . 1 . . . . 13 ALA CB . 7109 1 127 . 1 1 13 13 ALA N N 15 124.338 0.30 . 1 . . . . 13 ALA N . 7109 1 128 . 1 1 14 14 GLU H H 1 8.247 0.02 . 1 . . . . 14 GLU HN . 7109 1 129 . 1 1 14 14 GLU HA H 1 4.250 0.02 . 1 . . . . 14 GLU HA . 7109 1 130 . 1 1 14 14 GLU HB2 H 1 1.846 0.02 . 2 . . . . 14 GLU HB1 . 7109 1 131 . 1 1 14 14 GLU HB3 H 1 1.691 0.02 . 2 . . . . 14 GLU HB2 . 7109 1 132 . 1 1 14 14 GLU HG2 H 1 2.096 0.02 . 2 . . . . 14 GLU HG1 . 7109 1 133 . 1 1 14 14 GLU HG3 H 1 2.471 0.02 . 2 . . . . 14 GLU HG2 . 7109 1 134 . 1 1 14 14 GLU C C 13 178.505 0.30 . 1 . . . . 14 GLU C . 7109 1 135 . 1 1 14 14 GLU CA C 13 57.162 0.30 . 1 . . . . 14 GLU CA . 7109 1 136 . 1 1 14 14 GLU CB C 13 30.543 0.30 . 1 . . . . 14 GLU CB . 7109 1 137 . 1 1 14 14 GLU CG C 13 34.929 0.30 . 1 . . . . 14 GLU CG . 7109 1 138 . 1 1 14 14 GLU N N 15 114.328 0.30 . 1 . . . . 14 GLU N . 7109 1 139 . 1 1 15 15 THR H H 1 7.351 0.02 . 1 . . . . 15 THR HN . 7109 1 140 . 1 1 15 15 THR HA H 1 4.314 0.02 . 1 . . . . 15 THR HA . 7109 1 141 . 1 1 15 15 THR HB H 1 4.120 0.02 . 1 . . . . 15 THR HB . 7109 1 142 . 1 1 15 15 THR HG21 H 1 0.160 0.02 . 1 . . . . 15 THR HG2 . 7109 1 143 . 1 1 15 15 THR HG22 H 1 0.160 0.02 . 1 . . . . 15 THR HG2 . 7109 1 144 . 1 1 15 15 THR HG23 H 1 0.160 0.02 . 1 . . . . 15 THR HG2 . 7109 1 145 . 1 1 15 15 THR C C 13 174.748 0.30 . 1 . . . . 15 THR C . 7109 1 146 . 1 1 15 15 THR CA C 13 61.301 0.30 . 1 . . . . 15 THR CA . 7109 1 147 . 1 1 15 15 THR CB C 13 69.657 0.30 . 1 . . . . 15 THR CB . 7109 1 148 . 1 1 15 15 THR CG2 C 13 19.502 0.30 . 1 . . . . 15 THR CG2 . 7109 1 149 . 1 1 15 15 THR N N 15 104.191 0.30 . 1 . . . . 15 THR N . 7109 1 150 . 1 1 16 16 SER H H 1 7.151 0.02 . 1 . . . . 16 SER HN . 7109 1 151 . 1 1 16 16 SER HA H 1 4.050 0.02 . 1 . . . . 16 SER HA . 7109 1 152 . 1 1 16 16 SER HB2 H 1 3.941 0.02 . 2 . . . . 16 SER HB1 . 7109 1 153 . 1 1 16 16 SER HB3 H 1 4.044 0.02 . 2 . . . . 16 SER HB2 . 7109 1 154 . 1 1 16 16 SER C C 13 173.173 0.30 . 1 . . . . 16 SER C . 7109 1 155 . 1 1 16 16 SER CA C 13 61.447 0.30 . 1 . . . . 16 SER CA . 7109 1 156 . 1 1 16 16 SER CB C 13 64.104 0.30 . 1 . . . . 16 SER CB . 7109 1 157 . 1 1 16 16 SER N N 15 115.770 0.30 . 1 . . . . 16 SER N . 7109 1 158 . 1 1 17 17 GLU H H 1 7.612 0.02 . 1 . . . . 17 GLU HN . 7109 1 159 . 1 1 17 17 GLU HA H 1 4.781 0.02 . 1 . . . . 17 GLU HA . 7109 1 160 . 1 1 17 17 GLU HB2 H 1 1.922 0.02 . 2 . . . . 17 GLU HB1 . 7109 1 161 . 1 1 17 17 GLU HB3 H 1 1.771 0.02 . 2 . . . . 17 GLU HB2 . 7109 1 162 . 1 1 17 17 GLU HG2 H 1 2.152 0.02 . 2 . . . . 17 GLU HG2 . 7109 1 163 . 1 1 17 17 GLU C C 13 176.128 0.30 . 1 . . . . 17 GLU C . 7109 1 164 . 1 1 17 17 GLU CA C 13 54.911 0.30 . 1 . . . . 17 GLU CA . 7109 1 165 . 1 1 17 17 GLU CB C 13 33.481 0.30 . 1 . . . . 17 GLU CB . 7109 1 166 . 1 1 17 17 GLU CG C 13 36.130 0.30 . 1 . . . . 17 GLU CG . 7109 1 167 . 1 1 17 17 GLU N N 15 117.786 0.30 . 1 . . . . 17 GLU N . 7109 1 168 . 1 1 18 18 GLY H H 1 8.765 0.02 . 1 . . . . 18 GLY HN . 7109 1 169 . 1 1 18 18 GLY HA2 H 1 4.031 0.02 . 2 . . . . 18 GLY HA1 . 7109 1 170 . 1 1 18 18 GLY HA3 H 1 3.919 0.02 . 2 . . . . 18 GLY HA2 . 7109 1 171 . 1 1 18 18 GLY C C 13 173.693 0.30 . 1 . . . . 18 GLY C . 7109 1 172 . 1 1 18 18 GLY CA C 13 45.017 0.30 . 1 . . . . 18 GLY CA . 7109 1 173 . 1 1 18 18 GLY N N 15 110.121 0.30 . 1 . . . . 18 GLY N . 7109 1 174 . 1 1 19 19 VAL H H 1 8.520 0.02 . 1 . . . . 19 VAL HN . 7109 1 175 . 1 1 19 19 VAL HA H 1 5.019 0.02 . 1 . . . . 19 VAL HA . 7109 1 176 . 1 1 19 19 VAL HB H 1 2.059 0.02 . 1 . . . . 19 VAL HB . 7109 1 177 . 1 1 19 19 VAL HG11 H 1 1.030 0.02 . 2 . . . . 19 VAL HG1 . 7109 1 178 . 1 1 19 19 VAL HG12 H 1 1.030 0.02 . 2 . . . . 19 VAL HG1 . 7109 1 179 . 1 1 19 19 VAL HG13 H 1 1.030 0.02 . 2 . . . . 19 VAL HG1 . 7109 1 180 . 1 1 19 19 VAL HG21 H 1 0.807 0.02 . 2 . . . . 19 VAL HG2 . 7109 1 181 . 1 1 19 19 VAL HG22 H 1 0.807 0.02 . 2 . . . . 19 VAL HG2 . 7109 1 182 . 1 1 19 19 VAL HG23 H 1 0.807 0.02 . 2 . . . . 19 VAL HG2 . 7109 1 183 . 1 1 19 19 VAL C C 13 175.361 0.30 . 1 . . . . 19 VAL C . 7109 1 184 . 1 1 19 19 VAL CA C 13 62.554 0.30 . 1 . . . . 19 VAL CA . 7109 1 185 . 1 1 19 19 VAL CB C 13 31.621 0.30 . 1 . . . . 19 VAL CB . 7109 1 186 . 1 1 19 19 VAL CG1 C 13 22.527 0.30 . 1 . . . . 19 VAL CG1 . 7109 1 187 . 1 1 19 19 VAL CG2 C 13 21.044 0.30 . 1 . . . . 19 VAL CG2 . 7109 1 188 . 1 1 19 19 VAL N N 15 123.416 0.30 . 1 . . . . 19 VAL N . 7109 1 189 . 1 1 20 20 VAL H H 1 9.130 0.02 . 1 . . . . 20 VAL HN . 7109 1 190 . 1 1 20 20 VAL HA H 1 5.123 0.02 . 1 . . . . 20 VAL HA . 7109 1 191 . 1 1 20 20 VAL HB H 1 1.801 0.02 . 1 . . . . 20 VAL HB . 7109 1 192 . 1 1 20 20 VAL HG11 H 1 0.788 0.02 . 2 . . . . 20 VAL HG1 . 7109 1 193 . 1 1 20 20 VAL HG12 H 1 0.788 0.02 . 2 . . . . 20 VAL HG1 . 7109 1 194 . 1 1 20 20 VAL HG13 H 1 0.788 0.02 . 2 . . . . 20 VAL HG1 . 7109 1 195 . 1 1 20 20 VAL HG21 H 1 0.671 0.02 . 2 . . . . 20 VAL HG2 . 7109 1 196 . 1 1 20 20 VAL HG22 H 1 0.671 0.02 . 2 . . . . 20 VAL HG2 . 7109 1 197 . 1 1 20 20 VAL HG23 H 1 0.671 0.02 . 2 . . . . 20 VAL HG2 . 7109 1 198 . 1 1 20 20 VAL C C 13 173.679 0.30 . 1 . . . . 20 VAL C . 7109 1 199 . 1 1 20 20 VAL CA C 13 59.439 0.30 . 1 . . . . 20 VAL CA . 7109 1 200 . 1 1 20 20 VAL CB C 13 36.391 0.30 . 1 . . . . 20 VAL CB . 7109 1 201 . 1 1 20 20 VAL CG1 C 13 22.288 0.30 . 1 . . . . 20 VAL CG1 . 7109 1 202 . 1 1 20 20 VAL CG2 C 13 21.640 0.30 . 1 . . . . 20 VAL CG2 . 7109 1 203 . 1 1 20 20 VAL N N 15 129.231 0.30 . 1 . . . . 20 VAL N . 7109 1 204 . 1 1 21 21 LEU H H 1 8.906 0.02 . 1 . . . . 21 LEU HN . 7109 1 205 . 1 1 21 21 LEU HA H 1 5.324 0.02 . 1 . . . . 21 LEU HA . 7109 1 206 . 1 1 21 21 LEU HB2 H 1 1.894 0.02 . 2 . . . . 21 LEU HB1 . 7109 1 207 . 1 1 21 21 LEU HB3 H 1 1.168 0.02 . 2 . . . . 21 LEU HB2 . 7109 1 208 . 1 1 21 21 LEU HG H 1 1.343 0.02 . 1 . . . . 21 LEU HG . 7109 1 209 . 1 1 21 21 LEU HD11 H 1 0.751 0.02 . 2 . . . . 21 LEU HD1 . 7109 1 210 . 1 1 21 21 LEU HD12 H 1 0.751 0.02 . 2 . . . . 21 LEU HD1 . 7109 1 211 . 1 1 21 21 LEU HD13 H 1 0.751 0.02 . 2 . . . . 21 LEU HD1 . 7109 1 212 . 1 1 21 21 LEU HD21 H 1 0.694 0.02 . 2 . . . . 21 LEU HD2 . 7109 1 213 . 1 1 21 21 LEU HD22 H 1 0.694 0.02 . 2 . . . . 21 LEU HD2 . 7109 1 214 . 1 1 21 21 LEU HD23 H 1 0.694 0.02 . 2 . . . . 21 LEU HD2 . 7109 1 215 . 1 1 21 21 LEU C C 13 173.792 0.30 . 1 . . . . 21 LEU C . 7109 1 216 . 1 1 21 21 LEU CA C 13 52.728 0.30 . 1 . . . . 21 LEU CA . 7109 1 217 . 1 1 21 21 LEU CB C 13 45.315 0.30 . 1 . . . . 21 LEU CB . 7109 1 218 . 1 1 21 21 LEU CD1 C 13 24.533 0.30 . 1 . . . . 21 LEU CD1 . 7109 1 219 . 1 1 21 21 LEU CD2 C 13 26.547 0.30 . 1 . . . . 21 LEU CD2 . 7109 1 220 . 1 1 21 21 LEU N N 15 127.876 0.30 . 1 . . . . 21 LEU N . 7109 1 221 . 1 1 22 22 ALA H H 1 9.793 0.02 . 1 . . . . 22 ALA HN . 7109 1 222 . 1 1 22 22 ALA HA H 1 5.335 0.02 . 1 . . . . 22 ALA HA . 7109 1 223 . 1 1 22 22 ALA HB1 H 1 1.167 0.02 . 1 . . . . 22 ALA HB . 7109 1 224 . 1 1 22 22 ALA HB2 H 1 1.167 0.02 . 1 . . . . 22 ALA HB . 7109 1 225 . 1 1 22 22 ALA HB3 H 1 1.167 0.02 . 1 . . . . 22 ALA HB . 7109 1 226 . 1 1 22 22 ALA C C 13 174.958 0.30 . 1 . . . . 22 ALA C . 7109 1 227 . 1 1 22 22 ALA CA C 13 49.705 0.30 . 1 . . . . 22 ALA CA . 7109 1 228 . 1 1 22 22 ALA CB C 13 21.228 0.30 . 1 . . . . 22 ALA CB . 7109 1 229 . 1 1 22 22 ALA N N 15 129.179 0.30 . 1 . . . . 22 ALA N . 7109 1 230 . 1 1 23 23 ASP H H 1 9.227 0.02 . 1 . . . . 23 ASP HN . 7109 1 231 . 1 1 23 23 ASP HA H 1 5.162 0.02 . 1 . . . . 23 ASP HA . 7109 1 232 . 1 1 23 23 ASP HB2 H 1 2.782 0.02 . 2 . . . . 23 ASP HB1 . 7109 1 233 . 1 1 23 23 ASP HB3 H 1 2.123 0.02 . 2 . . . . 23 ASP HB2 . 7109 1 234 . 1 1 23 23 ASP C C 13 173.898 0.30 . 1 . . . . 23 ASP C . 7109 1 235 . 1 1 23 23 ASP CA C 13 52.249 0.30 . 1 . . . . 23 ASP CA . 7109 1 236 . 1 1 23 23 ASP CB C 13 40.239 0.30 . 1 . . . . 23 ASP CB . 7109 1 237 . 1 1 23 23 ASP N N 15 121.245 0.30 . 1 . . . . 23 ASP N . 7109 1 238 . 1 1 24 24 PHE H H 1 9.099 0.02 . 1 . . . . 24 PHE HN . 7109 1 239 . 1 1 24 24 PHE HA H 1 5.189 0.02 . 1 . . . . 24 PHE HA . 7109 1 240 . 1 1 24 24 PHE HB2 H 1 3.425 0.02 . 2 . . . . 24 PHE HB1 . 7109 1 241 . 1 1 24 24 PHE HB3 H 1 2.663 0.02 . 2 . . . . 24 PHE HB2 . 7109 1 242 . 1 1 24 24 PHE HD1 H 1 7.186 0.02 . 3 . . . . 24 PHE HD1 . 7109 1 243 . 1 1 24 24 PHE HE1 H 1 7.231 0.02 . 3 . . . . 24 PHE HE1 . 7109 1 244 . 1 1 24 24 PHE C C 13 173.907 0.30 . 1 . . . . 24 PHE C . 7109 1 245 . 1 1 24 24 PHE CA C 13 57.667 0.30 . 1 . . . . 24 PHE CA . 7109 1 246 . 1 1 24 24 PHE CB C 13 38.810 0.30 . 1 . . . . 24 PHE CB . 7109 1 247 . 1 1 24 24 PHE N N 15 127.745 0.30 . 1 . . . . 24 PHE N . 7109 1 248 . 1 1 25 25 TRP H H 1 8.604 0.02 . 1 . . . . 25 TRP HN . 7109 1 249 . 1 1 25 25 TRP HA H 1 5.073 0.02 . 1 . . . . 25 TRP HA . 7109 1 250 . 1 1 25 25 TRP HB2 H 1 3.156 0.02 . 2 . . . . 25 TRP HB1 . 7109 1 251 . 1 1 25 25 TRP HB3 H 1 2.890 0.02 . 2 . . . . 25 TRP HB2 . 7109 1 252 . 1 1 25 25 TRP HD1 H 1 6.971 0.02 . 1 . . . . 25 TRP HD1 . 7109 1 253 . 1 1 25 25 TRP HE1 H 1 10.387 0.02 . 3 . . . . 25 TRP HE1 . 7109 1 254 . 1 1 25 25 TRP HE3 H 1 7.237 0.02 . 3 . . . . 25 TRP HE3 . 7109 1 255 . 1 1 25 25 TRP HZ2 H 1 7.544 0.02 . 3 . . . . 25 TRP HZ2 . 7109 1 256 . 1 1 25 25 TRP HH2 H 1 7.210 0.02 . 1 . . . . 25 TRP HH2 . 7109 1 257 . 1 1 25 25 TRP C C 13 171.268 0.30 . 1 . . . . 25 TRP C . 7109 1 258 . 1 1 25 25 TRP CA C 13 54.903 0.30 . 1 . . . . 25 TRP CA . 7109 1 259 . 1 1 25 25 TRP CB C 13 33.014 0.30 . 1 . . . . 25 TRP CB . 7109 1 260 . 1 1 25 25 TRP N N 15 121.871 0.30 . 1 . . . . 25 TRP N . 7109 1 261 . 1 1 25 25 TRP NE1 N 15 130.322 0.30 . 1 . . . . 25 TRP NE1 . 7109 1 262 . 1 1 26 26 ALA H H 1 6.561 0.02 . 1 . . . . 26 ALA HN . 7109 1 263 . 1 1 26 26 ALA HA H 1 3.519 0.02 . 1 . . . . 26 ALA HA . 7109 1 264 . 1 1 26 26 ALA HB1 H 1 0.379 0.02 . 1 . . . . 26 ALA HB . 7109 1 265 . 1 1 26 26 ALA HB2 H 1 0.379 0.02 . 1 . . . . 26 ALA HB . 7109 1 266 . 1 1 26 26 ALA HB3 H 1 0.379 0.02 . 1 . . . . 26 ALA HB . 7109 1 267 . 1 1 26 26 ALA CA C 13 51.089 0.30 . 1 . . . . 26 ALA CA . 7109 1 268 . 1 1 26 26 ALA CB C 13 20.156 0.30 . 1 . . . . 26 ALA CB . 7109 1 269 . 1 1 26 26 ALA N N 15 116.744 0.30 . 1 . . . . 26 ALA N . 7109 1 270 . 1 1 27 27 PRO HA H 1 4.403 0.02 . 1 . . . . 27 PRO HA . 7109 1 271 . 1 1 27 27 PRO HB2 H 1 2.482 0.02 . 2 . . . . 27 PRO HB1 . 7109 1 272 . 1 1 27 27 PRO HB3 H 1 2.047 0.02 . 2 . . . . 27 PRO HB2 . 7109 1 273 . 1 1 27 27 PRO HG2 H 1 1.888 0.02 . 2 . . . . 27 PRO HG1 . 7109 1 274 . 1 1 27 27 PRO HG3 H 1 2.084 0.02 . 2 . . . . 27 PRO HG2 . 7109 1 275 . 1 1 27 27 PRO HD2 H 1 2.994 0.02 . 2 . . . . 27 PRO HD1 . 7109 1 276 . 1 1 27 27 PRO HD3 H 1 3.395 0.02 . 2 . . . . 27 PRO HD2 . 7109 1 277 . 1 1 27 27 PRO C C 13 175.659 0.30 . 1 . . . . 27 PRO C . 7109 1 278 . 1 1 27 27 PRO CA C 13 65.605 0.30 . 1 . . . . 27 PRO CA . 7109 1 279 . 1 1 27 27 PRO CB C 13 32.219 0.30 . 1 . . . . 27 PRO CB . 7109 1 280 . 1 1 27 27 PRO CG C 13 27.664 0.30 . 1 . . . . 27 PRO CG . 7109 1 281 . 1 1 27 27 PRO CD C 13 51.479 0.30 . 1 . . . . 27 PRO CD . 7109 1 282 . 1 1 28 28 TRP H H 1 6.320 0.02 . 1 . . . . 28 TRP HN . 7109 1 283 . 1 1 28 28 TRP HA H 1 4.619 0.02 . 1 . . . . 28 TRP HA . 7109 1 284 . 1 1 28 28 TRP HB2 H 1 3.666 0.02 . 2 . . . . 28 TRP HB1 . 7109 1 285 . 1 1 28 28 TRP HB3 H 1 3.191 0.02 . 2 . . . . 28 TRP HB2 . 7109 1 286 . 1 1 28 28 TRP HD1 H 1 7.392 0.02 . 1 . . . . 28 TRP HD1 . 7109 1 287 . 1 1 28 28 TRP HE1 H 1 11.687 0.02 . 3 . . . . 28 TRP HE1 . 7109 1 288 . 1 1 28 28 TRP C C 13 176.040 0.30 . 1 . . . . 28 TRP C . 7109 1 289 . 1 1 28 28 TRP CA C 13 54.085 0.30 . 1 . . . . 28 TRP CA . 7109 1 290 . 1 1 28 28 TRP CB C 13 28.929 0.30 . 1 . . . . 28 TRP CB . 7109 1 291 . 1 1 28 28 TRP N N 15 110.906 0.30 . 1 . . . . 28 TRP N . 7109 1 292 . 1 1 28 28 TRP NE1 N 15 136.525 0.30 . 1 . . . . 28 TRP NE1 . 7109 1 293 . 1 1 29 29 CYS H H 1 6.914 0.02 . 1 . . . . 29 CYS HN . 7109 1 294 . 1 1 29 29 CYS HA H 1 4.624 0.02 . 1 . . . . 29 CYS HA . 7109 1 295 . 1 1 29 29 CYS HB2 H 1 3.075 0.02 . 2 . . . . 29 CYS HB1 . 7109 1 296 . 1 1 29 29 CYS HB3 H 1 2.862 0.02 . 2 . . . . 29 CYS HB2 . 7109 1 297 . 1 1 29 29 CYS C C 13 174.840 0.30 . 1 . . . . 29 CYS C . 7109 1 298 . 1 1 29 29 CYS CA C 13 54.144 0.30 . 1 . . . . 29 CYS CA . 7109 1 299 . 1 1 29 29 CYS CB C 13 44.616 0.30 . 1 . . . . 29 CYS CB . 7109 1 300 . 1 1 29 29 CYS N N 15 121.534 0.30 . 1 . . . . 29 CYS N . 7109 1 301 . 1 1 30 30 GLY H H 1 9.752 0.02 . 1 . . . . 30 GLY HN . 7109 1 302 . 1 1 30 30 GLY HA2 H 1 4.066 0.02 . 2 . . . . 30 GLY HA1 . 7109 1 303 . 1 1 30 30 GLY HA3 H 1 4.320 0.02 . 2 . . . . 30 GLY HA2 . 7109 1 304 . 1 1 30 30 GLY CA C 13 48.871 0.30 . 1 . . . . 30 GLY CA . 7109 1 305 . 1 1 30 30 GLY N N 15 122.035 0.30 . 1 . . . . 30 GLY N . 7109 1 306 . 1 1 31 31 PRO HA H 1 4.528 0.02 . 1 . . . . 31 PRO HA . 7109 1 307 . 1 1 31 31 PRO HB2 H 1 2.638 0.02 . 2 . . . . 31 PRO HB1 . 7109 1 308 . 1 1 31 31 PRO HB3 H 1 1.794 0.02 . 2 . . . . 31 PRO HB2 . 7109 1 309 . 1 1 31 31 PRO HG2 H 1 2.175 0.02 . 2 . . . . 31 PRO HG1 . 7109 1 310 . 1 1 31 31 PRO HG3 H 1 2.376 0.02 . 2 . . . . 31 PRO HG2 . 7109 1 311 . 1 1 31 31 PRO HD2 H 1 3.891 0.02 . 2 . . . . 31 PRO HD1 . 7109 1 312 . 1 1 31 31 PRO HD3 H 1 4.070 0.02 . 2 . . . . 31 PRO HD2 . 7109 1 313 . 1 1 31 31 PRO C C 13 178.128 0.30 . 1 . . . . 31 PRO C . 7109 1 314 . 1 1 31 31 PRO CA C 13 65.033 0.30 . 1 . . . . 31 PRO CA . 7109 1 315 . 1 1 31 31 PRO CB C 13 31.761 0.30 . 1 . . . . 31 PRO CB . 7109 1 316 . 1 1 31 31 PRO CG C 13 28.284 0.30 . 1 . . . . 31 PRO CG . 7109 1 317 . 1 1 31 31 PRO CD C 13 51.560 0.30 . 1 . . . . 31 PRO CD . 7109 1 318 . 1 1 32 32 CYS H H 1 8.268 0.02 . 1 . . . . 32 CYS HN . 7109 1 319 . 1 1 32 32 CYS HA H 1 4.512 0.02 . 1 . . . . 32 CYS HA . 7109 1 320 . 1 1 32 32 CYS HB2 H 1 3.468 0.02 . 2 . . . . 32 CYS HB1 . 7109 1 321 . 1 1 32 32 CYS HB3 H 1 4.274 0.02 . 2 . . . . 32 CYS HB2 . 7109 1 322 . 1 1 32 32 CYS C C 13 176.573 0.30 . 1 . . . . 32 CYS C . 7109 1 323 . 1 1 32 32 CYS CA C 13 63.377 0.30 . 1 . . . . 32 CYS CA . 7109 1 324 . 1 1 32 32 CYS CB C 13 35.208 0.30 . 1 . . . . 32 CYS CB . 7109 1 325 . 1 1 32 32 CYS N N 15 111.822 0.30 . 1 . . . . 32 CYS N . 7109 1 326 . 1 1 33 33 LYS H H 1 8.012 0.02 . 1 . . . . 33 LYS HN . 7109 1 327 . 1 1 33 33 LYS HA H 1 4.167 0.02 . 1 . . . . 33 LYS HA . 7109 1 328 . 1 1 33 33 LYS HB2 H 1 2.121 0.02 . 2 . . . . 33 LYS HB1 . 7109 1 329 . 1 1 33 33 LYS HB3 H 1 2.006 0.02 . 2 . . . . 33 LYS HB2 . 7109 1 330 . 1 1 33 33 LYS HG2 H 1 1.582 0.02 . 2 . . . . 33 LYS HG1 . 7109 1 331 . 1 1 33 33 LYS HG3 H 1 1.797 0.02 . 2 . . . . 33 LYS HG2 . 7109 1 332 . 1 1 33 33 LYS HD2 H 1 1.844 0.02 . 2 . . . . 33 LYS HD2 . 7109 1 333 . 1 1 33 33 LYS HE2 H 1 3.032 0.02 . 2 . . . . 33 LYS HE1 . 7109 1 334 . 1 1 33 33 LYS HE3 H 1 3.081 0.02 . 2 . . . . 33 LYS HE2 . 7109 1 335 . 1 1 33 33 LYS C C 13 179.252 0.30 . 1 . . . . 33 LYS C . 7109 1 336 . 1 1 33 33 LYS CA C 13 59.388 0.30 . 1 . . . . 33 LYS CA . 7109 1 337 . 1 1 33 33 LYS CB C 13 31.929 0.30 . 1 . . . . 33 LYS CB . 7109 1 338 . 1 1 33 33 LYS CG C 13 25.449 0.30 . 1 . . . . 33 LYS CG . 7109 1 339 . 1 1 33 33 LYS CD C 13 29.418 0.30 . 1 . . . . 33 LYS CD . 7109 1 340 . 1 1 33 33 LYS CE C 13 42.290 0.30 . 1 . . . . 33 LYS CE . 7109 1 341 . 1 1 33 33 LYS N N 15 121.841 0.30 . 1 . . . . 33 LYS N . 7109 1 342 . 1 1 34 34 MET H H 1 7.529 0.02 . 1 . . . . 34 MET HN . 7109 1 343 . 1 1 34 34 MET HA H 1 4.272 0.02 . 1 . . . . 34 MET HA . 7109 1 344 . 1 1 34 34 MET HB2 H 1 2.055 0.02 . 2 . . . . 34 MET HB1 . 7109 1 345 . 1 1 34 34 MET HB3 H 1 1.901 0.02 . 2 . . . . 34 MET HB2 . 7109 1 346 . 1 1 34 34 MET HG2 H 1 2.407 0.02 . 2 . . . . 34 MET HG1 . 7109 1 347 . 1 1 34 34 MET HG3 H 1 2.503 0.02 . 2 . . . . 34 MET HG2 . 7109 1 348 . 1 1 34 34 MET HE1 H 1 1.705 0.02 . 1 . . . . 34 MET HE . 7109 1 349 . 1 1 34 34 MET HE2 H 1 1.705 0.02 . 1 . . . . 34 MET HE . 7109 1 350 . 1 1 34 34 MET HE3 H 1 1.705 0.02 . 1 . . . . 34 MET HE . 7109 1 351 . 1 1 34 34 MET C C 13 178.068 0.30 . 1 . . . . 34 MET C . 7109 1 352 . 1 1 34 34 MET CA C 13 57.447 0.30 . 1 . . . . 34 MET CA . 7109 1 353 . 1 1 34 34 MET CB C 13 32.865 0.30 . 1 . . . . 34 MET CB . 7109 1 354 . 1 1 34 34 MET CG C 13 31.796 0.30 . 1 . . . . 34 MET CG . 7109 1 355 . 1 1 34 34 MET CE C 13 16.286 0.30 . 1 . . . . 34 MET CE . 7109 1 356 . 1 1 34 34 MET N N 15 116.594 0.30 . 1 . . . . 34 MET N . 7109 1 357 . 1 1 35 35 ILE H H 1 7.658 0.02 . 1 . . . . 35 ILE HN . 7109 1 358 . 1 1 35 35 ILE HA H 1 4.371 0.02 . 1 . . . . 35 ILE HA . 7109 1 359 . 1 1 35 35 ILE HB H 1 2.062 0.02 . 1 . . . . 35 ILE HB . 7109 1 360 . 1 1 35 35 ILE HG12 H 1 1.525 0.02 . 1 . . . . 35 ILE HG11 . 7109 1 361 . 1 1 35 35 ILE HG13 H 1 1.697 0.02 . 1 . . . . 35 ILE HG12 . 7109 1 362 . 1 1 35 35 ILE HG21 H 1 0.980 0.02 . 1 . . . . 35 ILE HG2 . 7109 1 363 . 1 1 35 35 ILE HG22 H 1 0.980 0.02 . 1 . . . . 35 ILE HG2 . 7109 1 364 . 1 1 35 35 ILE HG23 H 1 0.980 0.02 . 1 . . . . 35 ILE HG2 . 7109 1 365 . 1 1 35 35 ILE HD11 H 1 0.902 0.02 . 1 . . . . 35 ILE HD1 . 7109 1 366 . 1 1 35 35 ILE HD12 H 1 0.902 0.02 . 1 . . . . 35 ILE HD1 . 7109 1 367 . 1 1 35 35 ILE HD13 H 1 0.902 0.02 . 1 . . . . 35 ILE HD1 . 7109 1 368 . 1 1 35 35 ILE C C 13 176.457 0.30 . 1 . . . . 35 ILE C . 7109 1 369 . 1 1 35 35 ILE CA C 13 62.299 0.30 . 1 . . . . 35 ILE CA . 7109 1 370 . 1 1 35 35 ILE CB C 13 39.572 0.30 . 1 . . . . 35 ILE CB . 7109 1 371 . 1 1 35 35 ILE CG1 C 13 29.870 0.30 . 2 . . . . 35 ILE CG1 . 7109 1 372 . 1 1 35 35 ILE CG2 C 13 16.538 0.30 . 1 . . . . 35 ILE CG2 . 7109 1 373 . 1 1 35 35 ILE CD1 C 13 14.426 0.30 . 1 . . . . 35 ILE CD1 . 7109 1 374 . 1 1 35 35 ILE N N 15 117.035 0.30 . 1 . . . . 35 ILE N . 7109 1 375 . 1 1 36 36 ALA H H 1 7.205 0.02 . 1 . . . . 36 ALA HN . 7109 1 376 . 1 1 36 36 ALA HA H 1 3.932 0.02 . 1 . . . . 36 ALA HA . 7109 1 377 . 1 1 36 36 ALA HB1 H 1 1.388 0.02 . 1 . . . . 36 ALA HB . 7109 1 378 . 1 1 36 36 ALA HB2 H 1 1.388 0.02 . 1 . . . . 36 ALA HB . 7109 1 379 . 1 1 36 36 ALA HB3 H 1 1.388 0.02 . 1 . . . . 36 ALA HB . 7109 1 380 . 1 1 36 36 ALA CA C 13 57.765 0.30 . 1 . . . . 36 ALA CA . 7109 1 381 . 1 1 36 36 ALA CB C 13 15.277 0.30 . 1 . . . . 36 ALA CB . 7109 1 382 . 1 1 36 36 ALA N N 15 124.655 0.30 . 1 . . . . 36 ALA N . 7109 1 383 . 1 1 37 37 PRO HA H 1 4.385 0.02 . 1 . . . . 37 PRO HA . 7109 1 384 . 1 1 37 37 PRO HB2 H 1 2.321 0.02 . 2 . . . . 37 PRO HB1 . 7109 1 385 . 1 1 37 37 PRO HB3 H 1 1.974 0.02 . 2 . . . . 37 PRO HB2 . 7109 1 386 . 1 1 37 37 PRO HG2 H 1 2.061 0.02 . 2 . . . . 37 PRO HG2 . 7109 1 387 . 1 1 37 37 PRO HD2 H 1 3.629 0.02 . 2 . . . . 37 PRO HD1 . 7109 1 388 . 1 1 37 37 PRO HD3 H 1 3.977 0.02 . 2 . . . . 37 PRO HD2 . 7109 1 389 . 1 1 37 37 PRO C C 13 179.338 0.30 . 1 . . . . 37 PRO C . 7109 1 390 . 1 1 37 37 PRO CA C 13 65.452 0.30 . 1 . . . . 37 PRO CA . 7109 1 391 . 1 1 37 37 PRO CB C 13 30.902 0.30 . 1 . . . . 37 PRO CB . 7109 1 392 . 1 1 37 37 PRO CG C 13 27.884 0.30 . 1 . . . . 37 PRO CG . 7109 1 393 . 1 1 37 37 PRO CD C 13 50.586 0.30 . 1 . . . . 37 PRO CD . 7109 1 394 . 1 1 38 38 VAL H H 1 6.841 0.02 . 1 . . . . 38 VAL HN . 7109 1 395 . 1 1 38 38 VAL HA H 1 3.810 0.02 . 1 . . . . 38 VAL HA . 7109 1 396 . 1 1 38 38 VAL HB H 1 2.434 0.02 . 1 . . . . 38 VAL HB . 7109 1 397 . 1 1 38 38 VAL HG11 H 1 0.864 0.02 . 2 . . . . 38 VAL HG1 . 7109 1 398 . 1 1 38 38 VAL HG12 H 1 0.864 0.02 . 2 . . . . 38 VAL HG1 . 7109 1 399 . 1 1 38 38 VAL HG13 H 1 0.864 0.02 . 2 . . . . 38 VAL HG1 . 7109 1 400 . 1 1 38 38 VAL HG21 H 1 1.276 0.02 . 2 . . . . 38 VAL HG2 . 7109 1 401 . 1 1 38 38 VAL HG22 H 1 1.276 0.02 . 2 . . . . 38 VAL HG2 . 7109 1 402 . 1 1 38 38 VAL HG23 H 1 1.276 0.02 . 2 . . . . 38 VAL HG2 . 7109 1 403 . 1 1 38 38 VAL C C 13 178.384 0.30 . 1 . . . . 38 VAL C . 7109 1 404 . 1 1 38 38 VAL CA C 13 65.681 0.30 . 1 . . . . 38 VAL CA . 7109 1 405 . 1 1 38 38 VAL CB C 13 31.097 0.30 . 1 . . . . 38 VAL CB . 7109 1 406 . 1 1 38 38 VAL CG1 C 13 21.498 0.30 . 1 . . . . 38 VAL CG1 . 7109 1 407 . 1 1 38 38 VAL CG2 C 13 22.031 0.30 . 1 . . . . 38 VAL CG2 . 7109 1 408 . 1 1 38 38 VAL N N 15 119.851 0.30 . 1 . . . . 38 VAL N . 7109 1 409 . 1 1 39 39 LEU H H 1 7.756 0.02 . 1 . . . . 39 LEU HN . 7109 1 410 . 1 1 39 39 LEU HA H 1 3.856 0.02 . 1 . . . . 39 LEU HA . 7109 1 411 . 1 1 39 39 LEU HB2 H 1 1.989 0.02 . 2 . . . . 39 LEU HB1 . 7109 1 412 . 1 1 39 39 LEU HB3 H 1 1.262 0.02 . 2 . . . . 39 LEU HB2 . 7109 1 413 . 1 1 39 39 LEU HG H 1 1.773 0.02 . 1 . . . . 39 LEU HG . 7109 1 414 . 1 1 39 39 LEU HD11 H 1 0.635 0.02 . 2 . . . . 39 LEU HD1 . 7109 1 415 . 1 1 39 39 LEU HD12 H 1 0.635 0.02 . 2 . . . . 39 LEU HD1 . 7109 1 416 . 1 1 39 39 LEU HD13 H 1 0.635 0.02 . 2 . . . . 39 LEU HD1 . 7109 1 417 . 1 1 39 39 LEU HD21 H 1 0.669 0.02 . 2 . . . . 39 LEU HD2 . 7109 1 418 . 1 1 39 39 LEU HD22 H 1 0.669 0.02 . 2 . . . . 39 LEU HD2 . 7109 1 419 . 1 1 39 39 LEU HD23 H 1 0.669 0.02 . 2 . . . . 39 LEU HD2 . 7109 1 420 . 1 1 39 39 LEU C C 13 178.724 0.30 . 1 . . . . 39 LEU C . 7109 1 421 . 1 1 39 39 LEU CA C 13 57.679 0.30 . 1 . . . . 39 LEU CA . 7109 1 422 . 1 1 39 39 LEU CB C 13 40.562 0.30 . 1 . . . . 39 LEU CB . 7109 1 423 . 1 1 39 39 LEU CG C 13 26.181 0.30 . 1 . . . . 39 LEU CG . 7109 1 424 . 1 1 39 39 LEU CD1 C 13 22.428 0.30 . 1 . . . . 39 LEU CD1 . 7109 1 425 . 1 1 39 39 LEU CD2 C 13 26.193 0.30 . 1 . . . . 39 LEU CD2 . 7109 1 426 . 1 1 39 39 LEU N N 15 117.608 0.30 . 1 . . . . 39 LEU N . 7109 1 427 . 1 1 40 40 GLU H H 1 7.353 0.02 . 1 . . . . 40 GLU HN . 7109 1 428 . 1 1 40 40 GLU HA H 1 3.928 0.02 . 1 . . . . 40 GLU HA . 7109 1 429 . 1 1 40 40 GLU HB2 H 1 2.089 0.02 . 2 . . . . 40 GLU HB2 . 7109 1 430 . 1 1 40 40 GLU HG2 H 1 2.188 0.02 . 2 . . . . 40 GLU HG1 . 7109 1 431 . 1 1 40 40 GLU HG3 H 1 2.300 0.02 . 2 . . . . 40 GLU HG2 . 7109 1 432 . 1 1 40 40 GLU C C 13 179.236 0.30 . 1 . . . . 40 GLU C . 7109 1 433 . 1 1 40 40 GLU CA C 13 59.649 0.30 . 1 . . . . 40 GLU CA . 7109 1 434 . 1 1 40 40 GLU CB C 13 28.785 0.30 . 1 . . . . 40 GLU CB . 7109 1 435 . 1 1 40 40 GLU CG C 13 36.264 0.30 . 1 . . . . 40 GLU CG . 7109 1 436 . 1 1 40 40 GLU N N 15 117.226 0.30 . 1 . . . . 40 GLU N . 7109 1 437 . 1 1 41 41 GLU H H 1 7.704 0.02 . 1 . . . . 41 GLU HN . 7109 1 438 . 1 1 41 41 GLU HA H 1 4.047 0.02 . 1 . . . . 41 GLU HA . 7109 1 439 . 1 1 41 41 GLU HB2 H 1 2.238 0.02 . 2 . . . . 41 GLU HB1 . 7109 1 440 . 1 1 41 41 GLU HB3 H 1 2.006 0.02 . 2 . . . . 41 GLU HB2 . 7109 1 441 . 1 1 41 41 GLU HG2 H 1 2.168 0.02 . 2 . . . . 41 GLU HG1 . 7109 1 442 . 1 1 41 41 GLU HG3 H 1 2.547 0.02 . 2 . . . . 41 GLU HG2 . 7109 1 443 . 1 1 41 41 GLU C C 13 179.348 0.30 . 1 . . . . 41 GLU C . 7109 1 444 . 1 1 41 41 GLU CA C 13 59.838 0.30 . 1 . . . . 41 GLU CA . 7109 1 445 . 1 1 41 41 GLU CB C 13 29.876 0.30 . 1 . . . . 41 GLU CB . 7109 1 446 . 1 1 41 41 GLU CG C 13 36.837 0.30 . 1 . . . . 41 GLU CG . 7109 1 447 . 1 1 41 41 GLU N N 15 120.202 0.30 . 1 . . . . 41 GLU N . 7109 1 448 . 1 1 42 42 LEU H H 1 8.318 0.02 . 1 . . . . 42 LEU HN . 7109 1 449 . 1 1 42 42 LEU HA H 1 3.908 0.02 . 1 . . . . 42 LEU HA . 7109 1 450 . 1 1 42 42 LEU HB2 H 1 1.588 0.02 . 2 . . . . 42 LEU HB2 . 7109 1 451 . 1 1 42 42 LEU HG H 1 1.611 0.02 . 1 . . . . 42 LEU HG . 7109 1 452 . 1 1 42 42 LEU HD11 H 1 0.730 0.02 . 2 . . . . 42 LEU HD1 . 7109 1 453 . 1 1 42 42 LEU HD12 H 1 0.730 0.02 . 2 . . . . 42 LEU HD1 . 7109 1 454 . 1 1 42 42 LEU HD13 H 1 0.730 0.02 . 2 . . . . 42 LEU HD1 . 7109 1 455 . 1 1 42 42 LEU HD21 H 1 0.687 0.02 . 2 . . . . 42 LEU HD2 . 7109 1 456 . 1 1 42 42 LEU HD22 H 1 0.687 0.02 . 2 . . . . 42 LEU HD2 . 7109 1 457 . 1 1 42 42 LEU HD23 H 1 0.687 0.02 . 2 . . . . 42 LEU HD2 . 7109 1 458 . 1 1 42 42 LEU C C 13 178.497 0.30 . 1 . . . . 42 LEU C . 7109 1 459 . 1 1 42 42 LEU CA C 13 58.171 0.30 . 1 . . . . 42 LEU CA . 7109 1 460 . 1 1 42 42 LEU CB C 13 42.338 0.30 . 1 . . . . 42 LEU CB . 7109 1 461 . 1 1 42 42 LEU CG C 13 26.771 0.30 . 1 . . . . 42 LEU CG . 7109 1 462 . 1 1 42 42 LEU CD1 C 13 25.037 0.30 . 1 . . . . 42 LEU CD1 . 7109 1 463 . 1 1 42 42 LEU CD2 C 13 25.037 0.30 . 1 . . . . 42 LEU CD2 . 7109 1 464 . 1 1 42 42 LEU N N 15 120.009 0.30 . 1 . . . . 42 LEU N . 7109 1 465 . 1 1 43 43 ASP H H 1 8.391 0.02 . 1 . . . . 43 ASP HN . 7109 1 466 . 1 1 43 43 ASP HA H 1 4.248 0.02 . 1 . . . . 43 ASP HA . 7109 1 467 . 1 1 43 43 ASP HB2 H 1 2.702 0.02 . 2 . . . . 43 ASP HB1 . 7109 1 468 . 1 1 43 43 ASP HB3 H 1 2.627 0.02 . 2 . . . . 43 ASP HB2 . 7109 1 469 . 1 1 43 43 ASP C C 13 178.634 0.30 . 1 . . . . 43 ASP C . 7109 1 470 . 1 1 43 43 ASP CA C 13 57.618 0.30 . 1 . . . . 43 ASP CA . 7109 1 471 . 1 1 43 43 ASP CB C 13 42.671 0.30 . 1 . . . . 43 ASP CB . 7109 1 472 . 1 1 43 43 ASP N N 15 118.966 0.30 . 1 . . . . 43 ASP N . 7109 1 473 . 1 1 44 44 GLN H H 1 7.717 0.02 . 1 . . . . 44 GLN HN . 7109 1 474 . 1 1 44 44 GLN HA H 1 4.002 0.02 . 1 . . . . 44 GLN HA . 7109 1 475 . 1 1 44 44 GLN HB2 H 1 2.261 0.02 . 2 . . . . 44 GLN HB1 . 7109 1 476 . 1 1 44 44 GLN HB3 H 1 2.206 0.02 . 2 . . . . 44 GLN HB2 . 7109 1 477 . 1 1 44 44 GLN HG2 H 1 2.490 0.02 . 2 . . . . 44 GLN HG1 . 7109 1 478 . 1 1 44 44 GLN HG3 H 1 2.570 0.02 . 2 . . . . 44 GLN HG2 . 7109 1 479 . 1 1 44 44 GLN HE21 H 1 7.531 0.02 . 2 . . . . 44 GLN HE21 . 7109 1 480 . 1 1 44 44 GLN HE22 H 1 6.826 0.02 . 2 . . . . 44 GLN HE22 . 7109 1 481 . 1 1 44 44 GLN C C 13 178.302 0.30 . 1 . . . . 44 GLN C . 7109 1 482 . 1 1 44 44 GLN CA C 13 58.709 0.30 . 1 . . . . 44 GLN CA . 7109 1 483 . 1 1 44 44 GLN CB C 13 28.550 0.30 . 1 . . . . 44 GLN CB . 7109 1 484 . 1 1 44 44 GLN CG C 13 34.058 0.30 . 1 . . . . 44 GLN CG . 7109 1 485 . 1 1 44 44 GLN N N 15 117.190 0.30 . 1 . . . . 44 GLN N . 7109 1 486 . 1 1 44 44 GLN NE2 N 15 112.097 0.30 . 1 . . . . 44 GLN NE2 . 7109 1 487 . 1 1 45 45 GLU H H 1 7.868 0.02 . 1 . . . . 45 GLU HN . 7109 1 488 . 1 1 45 45 GLU HA H 1 4.196 0.02 . 1 . . . . 45 GLU HA . 7109 1 489 . 1 1 45 45 GLU HB2 H 1 2.039 0.02 . 2 . . . . 45 GLU HB2 . 7109 1 490 . 1 1 45 45 GLU HG2 H 1 2.248 0.02 . 2 . . . . 45 GLU HG1 . 7109 1 491 . 1 1 45 45 GLU HG3 H 1 2.438 0.02 . 2 . . . . 45 GLU HG2 . 7109 1 492 . 1 1 45 45 GLU C C 13 178.544 0.30 . 1 . . . . 45 GLU C . 7109 1 493 . 1 1 45 45 GLU CA C 13 58.442 0.30 . 1 . . . . 45 GLU CA . 7109 1 494 . 1 1 45 45 GLU CB C 13 31.065 0.30 . 1 . . . . 45 GLU CB . 7109 1 495 . 1 1 45 45 GLU CG C 13 36.249 0.30 . 1 . . . . 45 GLU CG . 7109 1 496 . 1 1 45 45 GLU N N 15 117.059 0.30 . 1 . . . . 45 GLU N . 7109 1 497 . 1 1 46 46 MET H H 1 8.632 0.02 . 1 . . . . 46 MET HN . 7109 1 498 . 1 1 46 46 MET HA H 1 4.757 0.02 . 1 . . . . 46 MET HA . 7109 1 499 . 1 1 46 46 MET HB2 H 1 2.142 0.02 . 2 . . . . 46 MET HB1 . 7109 1 500 . 1 1 46 46 MET HB3 H 1 2.089 0.02 . 2 . . . . 46 MET HB2 . 7109 1 501 . 1 1 46 46 MET HG2 H 1 2.479 0.02 . 2 . . . . 46 MET HG1 . 7109 1 502 . 1 1 46 46 MET HG3 H 1 2.565 0.02 . 2 . . . . 46 MET HG2 . 7109 1 503 . 1 1 46 46 MET HE1 H 1 2.045 0.02 . 1 . . . . 46 MET HE . 7109 1 504 . 1 1 46 46 MET HE2 H 1 2.045 0.02 . 1 . . . . 46 MET HE . 7109 1 505 . 1 1 46 46 MET HE3 H 1 2.045 0.02 . 1 . . . . 46 MET HE . 7109 1 506 . 1 1 46 46 MET C C 13 177.542 0.30 . 1 . . . . 46 MET C . 7109 1 507 . 1 1 46 46 MET CA C 13 55.776 0.30 . 1 . . . . 46 MET CA . 7109 1 508 . 1 1 46 46 MET CB C 13 33.775 0.30 . 1 . . . . 46 MET CB . 7109 1 509 . 1 1 46 46 MET CG C 13 32.175 0.30 . 1 . . . . 46 MET CG . 7109 1 510 . 1 1 46 46 MET CE C 13 17.534 0.30 . 1 . . . . 46 MET CE . 7109 1 511 . 1 1 46 46 MET N N 15 114.904 0.30 . 1 . . . . 46 MET N . 7109 1 512 . 1 1 47 47 GLY H H 1 8.076 0.02 . 1 . . . . 47 GLY HN . 7109 1 513 . 1 1 47 47 GLY HA2 H 1 4.196 0.02 . 2 . . . . 47 GLY HA1 . 7109 1 514 . 1 1 47 47 GLY HA3 H 1 4.113 0.02 . 2 . . . . 47 GLY HA2 . 7109 1 515 . 1 1 47 47 GLY C C 13 174.266 0.30 . 1 . . . . 47 GLY C . 7109 1 516 . 1 1 47 47 GLY CA C 13 47.533 0.30 . 1 . . . . 47 GLY CA . 7109 1 517 . 1 1 47 47 GLY N N 15 110.399 0.30 . 1 . . . . 47 GLY N . 7109 1 518 . 1 1 48 48 ASP H H 1 8.643 0.02 . 1 . . . . 48 ASP HN . 7109 1 519 . 1 1 48 48 ASP HA H 1 4.532 0.02 . 1 . . . . 48 ASP HA . 7109 1 520 . 1 1 48 48 ASP HB2 H 1 2.735 0.02 . 2 . . . . 48 ASP HB2 . 7109 1 521 . 1 1 48 48 ASP C C 13 177.091 0.30 . 1 . . . . 48 ASP C . 7109 1 522 . 1 1 48 48 ASP CA C 13 55.306 0.30 . 1 . . . . 48 ASP CA . 7109 1 523 . 1 1 48 48 ASP CB C 13 39.821 0.30 . 1 . . . . 48 ASP CB . 7109 1 524 . 1 1 48 48 ASP N N 15 118.140 0.30 . 1 . . . . 48 ASP N . 7109 1 525 . 1 1 49 49 LYS H H 1 7.970 0.02 . 1 . . . . 49 LYS HN . 7109 1 526 . 1 1 49 49 LYS HA H 1 4.389 0.02 . 1 . . . . 49 LYS HA . 7109 1 527 . 1 1 49 49 LYS HB2 H 1 1.922 0.02 . 2 . . . . 49 LYS HB1 . 7109 1 528 . 1 1 49 49 LYS HB3 H 1 1.775 0.02 . 2 . . . . 49 LYS HB2 . 7109 1 529 . 1 1 49 49 LYS HG2 H 1 1.499 0.02 . 2 . . . . 49 LYS HG2 . 7109 1 530 . 1 1 49 49 LYS HD2 H 1 1.720 0.02 . 2 . . . . 49 LYS HD2 . 7109 1 531 . 1 1 49 49 LYS HE2 H 1 3.031 0.02 . 2 . . . . 49 LYS HE2 . 7109 1 532 . 1 1 49 49 LYS C C 13 174.587 0.30 . 1 . . . . 49 LYS C . 7109 1 533 . 1 1 49 49 LYS CA C 13 56.822 0.30 . 1 . . . . 49 LYS CA . 7109 1 534 . 1 1 49 49 LYS CB C 13 34.517 0.30 . 1 . . . . 49 LYS CB . 7109 1 535 . 1 1 49 49 LYS CG C 13 24.792 0.30 . 1 . . . . 49 LYS CG . 7109 1 536 . 1 1 49 49 LYS CD C 13 29.279 0.30 . 1 . . . . 49 LYS CD . 7109 1 537 . 1 1 49 49 LYS CE C 13 42.099 0.30 . 1 . . . . 49 LYS CE . 7109 1 538 . 1 1 49 49 LYS N N 15 118.027 0.30 . 1 . . . . 49 LYS N . 7109 1 539 . 1 1 50 50 LEU H H 1 7.687 0.02 . 1 . . . . 50 LEU HN . 7109 1 540 . 1 1 50 50 LEU HA H 1 4.619 0.02 . 1 . . . . 50 LEU HA . 7109 1 541 . 1 1 50 50 LEU HB2 H 1 1.723 0.02 . 2 . . . . 50 LEU HB1 . 7109 1 542 . 1 1 50 50 LEU HB3 H 1 1.113 0.02 . 2 . . . . 50 LEU HB2 . 7109 1 543 . 1 1 50 50 LEU HG H 1 1.405 0.02 . 1 . . . . 50 LEU HG . 7109 1 544 . 1 1 50 50 LEU HD11 H 1 0.828 0.02 . 2 . . . . 50 LEU HD1 . 7109 1 545 . 1 1 50 50 LEU HD12 H 1 0.828 0.02 . 2 . . . . 50 LEU HD1 . 7109 1 546 . 1 1 50 50 LEU HD13 H 1 0.828 0.02 . 2 . . . . 50 LEU HD1 . 7109 1 547 . 1 1 50 50 LEU HD21 H 1 0.789 0.02 . 2 . . . . 50 LEU HD2 . 7109 1 548 . 1 1 50 50 LEU HD22 H 1 0.789 0.02 . 2 . . . . 50 LEU HD2 . 7109 1 549 . 1 1 50 50 LEU HD23 H 1 0.789 0.02 . 2 . . . . 50 LEU HD2 . 7109 1 550 . 1 1 50 50 LEU C C 13 173.500 0.30 . 1 . . . . 50 LEU C . 7109 1 551 . 1 1 50 50 LEU CA C 13 53.730 0.30 . 1 . . . . 50 LEU CA . 7109 1 552 . 1 1 50 50 LEU CB C 13 46.261 0.30 . 1 . . . . 50 LEU CB . 7109 1 553 . 1 1 50 50 LEU CG C 13 27.022 0.30 . 1 . . . . 50 LEU CG . 7109 1 554 . 1 1 50 50 LEU CD1 C 13 23.794 0.30 . 1 . . . . 50 LEU CD1 . 7109 1 555 . 1 1 50 50 LEU N N 15 119.256 0.30 . 1 . . . . 50 LEU N . 7109 1 556 . 1 1 51 51 LYS H H 1 7.638 0.02 . 1 . . . . 51 LYS HN . 7109 1 557 . 1 1 51 51 LYS HA H 1 4.737 0.02 . 1 . . . . 51 LYS HA . 7109 1 558 . 1 1 51 51 LYS HB2 H 1 1.801 0.02 . 2 . . . . 51 LYS HB2 . 7109 1 559 . 1 1 51 51 LYS HG2 H 1 1.156 0.02 . 2 . . . . 51 LYS HG1 . 7109 1 560 . 1 1 51 51 LYS HG3 H 1 1.450 0.02 . 2 . . . . 51 LYS HG2 . 7109 1 561 . 1 1 51 51 LYS HD2 H 1 1.653 0.02 . 2 . . . . 51 LYS HD2 . 7109 1 562 . 1 1 51 51 LYS HE2 H 1 2.805 0.02 . 2 . . . . 51 LYS HE1 . 7109 1 563 . 1 1 51 51 LYS HE3 H 1 2.968 0.02 . 2 . . . . 51 LYS HE2 . 7109 1 564 . 1 1 51 51 LYS C C 13 174.338 0.30 . 1 . . . . 51 LYS C . 7109 1 565 . 1 1 51 51 LYS CA C 13 55.155 0.30 . 1 . . . . 51 LYS CA . 7109 1 566 . 1 1 51 51 LYS CB C 13 34.934 0.30 . 1 . . . . 51 LYS CB . 7109 1 567 . 1 1 51 51 LYS CG C 13 25.023 0.30 . 1 . . . . 51 LYS CG . 7109 1 568 . 1 1 51 51 LYS CD C 13 29.869 0.30 . 1 . . . . 51 LYS CD . 7109 1 569 . 1 1 51 51 LYS CE C 13 42.174 0.30 . 1 . . . . 51 LYS CE . 7109 1 570 . 1 1 51 51 LYS N N 15 125.631 0.30 . 1 . . . . 51 LYS N . 7109 1 571 . 1 1 52 52 ILE H H 1 8.931 0.02 . 1 . . . . 52 ILE HN . 7109 1 572 . 1 1 52 52 ILE HA H 1 5.145 0.02 . 1 . . . . 52 ILE HA . 7109 1 573 . 1 1 52 52 ILE HB H 1 1.764 0.02 . 1 . . . . 52 ILE HB . 7109 1 574 . 1 1 52 52 ILE HG12 H 1 0.875 0.02 . 1 . . . . 52 ILE HG11 . 7109 1 575 . 1 1 52 52 ILE HG13 H 1 1.694 0.02 . 1 . . . . 52 ILE HG12 . 7109 1 576 . 1 1 52 52 ILE HG21 H 1 0.776 0.02 . 1 . . . . 52 ILE HG2 . 7109 1 577 . 1 1 52 52 ILE HG22 H 1 0.776 0.02 . 1 . . . . 52 ILE HG2 . 7109 1 578 . 1 1 52 52 ILE HG23 H 1 0.776 0.02 . 1 . . . . 52 ILE HG2 . 7109 1 579 . 1 1 52 52 ILE HD11 H 1 0.800 0.02 . 1 . . . . 52 ILE HD1 . 7109 1 580 . 1 1 52 52 ILE HD12 H 1 0.800 0.02 . 1 . . . . 52 ILE HD1 . 7109 1 581 . 1 1 52 52 ILE HD13 H 1 0.800 0.02 . 1 . . . . 52 ILE HD1 . 7109 1 582 . 1 1 52 52 ILE C C 13 174.600 0.30 . 1 . . . . 52 ILE C . 7109 1 583 . 1 1 52 52 ILE CA C 13 60.079 0.30 . 1 . . . . 52 ILE CA . 7109 1 584 . 1 1 52 52 ILE CB C 13 39.238 0.30 . 1 . . . . 52 ILE CB . 7109 1 585 . 1 1 52 52 ILE CG1 C 13 28.280 0.30 . 2 . . . . 52 ILE CG1 . 7109 1 586 . 1 1 52 52 ILE CG2 C 13 17.739 0.30 . 1 . . . . 52 ILE CG2 . 7109 1 587 . 1 1 52 52 ILE CD1 C 13 14.792 0.30 . 1 . . . . 52 ILE CD1 . 7109 1 588 . 1 1 52 52 ILE N N 15 128.013 0.30 . 1 . . . . 52 ILE N . 7109 1 589 . 1 1 53 53 VAL H H 1 8.958 0.02 . 1 . . . . 53 VAL HN . 7109 1 590 . 1 1 53 53 VAL HA H 1 5.145 0.02 . 1 . . . . 53 VAL HA . 7109 1 591 . 1 1 53 53 VAL HB H 1 1.500 0.02 . 1 . . . . 53 VAL HB . 7109 1 592 . 1 1 53 53 VAL HG11 H 1 0.558 0.02 . 2 . . . . 53 VAL HG1 . 7109 1 593 . 1 1 53 53 VAL HG12 H 1 0.558 0.02 . 2 . . . . 53 VAL HG1 . 7109 1 594 . 1 1 53 53 VAL HG13 H 1 0.558 0.02 . 2 . . . . 53 VAL HG1 . 7109 1 595 . 1 1 53 53 VAL HG21 H 1 0.542 0.02 . 2 . . . . 53 VAL HG2 . 7109 1 596 . 1 1 53 53 VAL HG22 H 1 0.542 0.02 . 2 . . . . 53 VAL HG2 . 7109 1 597 . 1 1 53 53 VAL HG23 H 1 0.542 0.02 . 2 . . . . 53 VAL HG2 . 7109 1 598 . 1 1 53 53 VAL C C 13 174.600 0.30 . 1 . . . . 53 VAL C . 7109 1 599 . 1 1 53 53 VAL CA C 13 58.776 0.30 . 1 . . . . 53 VAL CA . 7109 1 600 . 1 1 53 53 VAL CB C 13 34.783 0.30 . 1 . . . . 53 VAL CB . 7109 1 601 . 1 1 53 53 VAL CG1 C 13 22.263 0.30 . 1 . . . . 53 VAL CG1 . 7109 1 602 . 1 1 53 53 VAL CG2 C 13 21.542 0.30 . 1 . . . . 53 VAL CG2 . 7109 1 603 . 1 1 53 53 VAL N N 15 124.576 0.30 . 1 . . . . 53 VAL N . 7109 1 604 . 1 1 54 54 LYS H H 1 8.949 0.02 . 1 . . . . 54 LYS HN . 7109 1 605 . 1 1 54 54 LYS HA H 1 5.161 0.02 . 1 . . . . 54 LYS HA . 7109 1 606 . 1 1 54 54 LYS HB2 H 1 1.719 0.02 . 2 . . . . 54 LYS HB1 . 7109 1 607 . 1 1 54 54 LYS HB3 H 1 1.594 0.02 . 2 . . . . 54 LYS HB2 . 7109 1 608 . 1 1 54 54 LYS HG2 H 1 1.174 0.02 . 2 . . . . 54 LYS HG1 . 7109 1 609 . 1 1 54 54 LYS HG3 H 1 1.356 0.02 . 2 . . . . 54 LYS HG2 . 7109 1 610 . 1 1 54 54 LYS HD2 H 1 1.091 0.02 . 2 . . . . 54 LYS HD1 . 7109 1 611 . 1 1 54 54 LYS HD3 H 1 1.283 0.02 . 2 . . . . 54 LYS HD2 . 7109 1 612 . 1 1 54 54 LYS HE2 H 1 2.095 0.02 . 2 . . . . 54 LYS HE2 . 7109 1 613 . 1 1 54 54 LYS C C 13 175.153 0.30 . 1 . . . . 54 LYS C . 7109 1 614 . 1 1 54 54 LYS CA C 13 54.973 0.30 . 1 . . . . 54 LYS CA . 7109 1 615 . 1 1 54 54 LYS CB C 13 35.298 0.30 . 1 . . . . 54 LYS CB . 7109 1 616 . 1 1 54 54 LYS CG C 13 24.627 0.30 . 1 . . . . 54 LYS CG . 7109 1 617 . 1 1 54 54 LYS CD C 13 29.403 0.30 . 1 . . . . 54 LYS CD . 7109 1 618 . 1 1 54 54 LYS CE C 13 41.051 0.30 . 1 . . . . 54 LYS CE . 7109 1 619 . 1 1 54 54 LYS N N 15 124.445 0.30 . 1 . . . . 54 LYS N . 7109 1 620 . 1 1 55 55 ILE H H 1 9.044 0.02 . 1 . . . . 55 ILE HN . 7109 1 621 . 1 1 55 55 ILE HA H 1 4.674 0.02 . 1 . . . . 55 ILE HA . 7109 1 622 . 1 1 55 55 ILE HB H 1 1.205 0.02 . 1 . . . . 55 ILE HB . 7109 1 623 . 1 1 55 55 ILE HG12 H 1 0.601 0.02 . 1 . . . . 55 ILE HG11 . 7109 1 624 . 1 1 55 55 ILE HG13 H 1 1.410 0.02 . 1 . . . . 55 ILE HG12 . 7109 1 625 . 1 1 55 55 ILE HG21 H 1 0.204 0.02 . 1 . . . . 55 ILE HG2 . 7109 1 626 . 1 1 55 55 ILE HG22 H 1 0.204 0.02 . 1 . . . . 55 ILE HG2 . 7109 1 627 . 1 1 55 55 ILE HG23 H 1 0.204 0.02 . 1 . . . . 55 ILE HG2 . 7109 1 628 . 1 1 55 55 ILE HD11 H 1 0.406 0.02 . 1 . . . . 55 ILE HD1 . 7109 1 629 . 1 1 55 55 ILE HD12 H 1 0.406 0.02 . 1 . . . . 55 ILE HD1 . 7109 1 630 . 1 1 55 55 ILE HD13 H 1 0.406 0.02 . 1 . . . . 55 ILE HD1 . 7109 1 631 . 1 1 55 55 ILE C C 13 171.741 0.30 . 1 . . . . 55 ILE C . 7109 1 632 . 1 1 55 55 ILE CA C 13 59.412 0.30 . 1 . . . . 55 ILE CA . 7109 1 633 . 1 1 55 55 ILE CB C 13 41.632 0.30 . 1 . . . . 55 ILE CB . 7109 1 634 . 1 1 55 55 ILE CG1 C 13 29.025 0.30 . 2 . . . . 55 ILE CG1 . 7109 1 635 . 1 1 55 55 ILE CG2 C 13 15.530 0.30 . 1 . . . . 55 ILE CG2 . 7109 1 636 . 1 1 55 55 ILE CD1 C 13 15.045 0.30 . 1 . . . . 55 ILE CD1 . 7109 1 637 . 1 1 55 55 ILE N N 15 121.620 0.30 . 1 . . . . 55 ILE N . 7109 1 638 . 1 1 56 56 ASP H H 1 8.413 0.02 . 1 . . . . 56 ASP HN . 7109 1 639 . 1 1 56 56 ASP HA H 1 3.988 0.02 . 1 . . . . 56 ASP HA . 7109 1 640 . 1 1 56 56 ASP HB2 H 1 2.480 0.02 . 2 . . . . 56 ASP HB1 . 7109 1 641 . 1 1 56 56 ASP HB3 H 1 2.128 0.02 . 2 . . . . 56 ASP HB2 . 7109 1 642 . 1 1 56 56 ASP C C 13 179.587 0.30 . 1 . . . . 56 ASP C . 7109 1 643 . 1 1 56 56 ASP CA C 13 52.124 0.30 . 1 . . . . 56 ASP CA . 7109 1 644 . 1 1 56 56 ASP CB C 13 40.541 0.30 . 1 . . . . 56 ASP CB . 7109 1 645 . 1 1 56 56 ASP N N 15 128.368 0.30 . 1 . . . . 56 ASP N . 7109 1 646 . 1 1 57 57 VAL H H 1 8.972 0.02 . 1 . . . . 57 VAL HN . 7109 1 647 . 1 1 57 57 VAL HA H 1 4.034 0.02 . 1 . . . . 57 VAL HA . 7109 1 648 . 1 1 57 57 VAL HB H 1 2.302 0.02 . 1 . . . . 57 VAL HB . 7109 1 649 . 1 1 57 57 VAL HG11 H 1 1.196 0.02 . 2 . . . . 57 VAL HG1 . 7109 1 650 . 1 1 57 57 VAL HG12 H 1 1.196 0.02 . 2 . . . . 57 VAL HG1 . 7109 1 651 . 1 1 57 57 VAL HG13 H 1 1.196 0.02 . 2 . . . . 57 VAL HG1 . 7109 1 652 . 1 1 57 57 VAL HG21 H 1 0.884 0.02 . 2 . . . . 57 VAL HG2 . 7109 1 653 . 1 1 57 57 VAL HG22 H 1 0.884 0.02 . 2 . . . . 57 VAL HG2 . 7109 1 654 . 1 1 57 57 VAL HG23 H 1 0.884 0.02 . 2 . . . . 57 VAL HG2 . 7109 1 655 . 1 1 57 57 VAL C C 13 176.787 0.30 . 1 . . . . 57 VAL C . 7109 1 656 . 1 1 57 57 VAL CA C 13 63.844 0.30 . 1 . . . . 57 VAL CA . 7109 1 657 . 1 1 57 57 VAL CB C 13 31.139 0.30 . 1 . . . . 57 VAL CB . 7109 1 658 . 1 1 57 57 VAL CG1 C 13 24.051 0.30 . 1 . . . . 57 VAL CG1 . 7109 1 659 . 1 1 57 57 VAL CG2 C 13 19.016 0.30 . 1 . . . . 57 VAL CG2 . 7109 1 660 . 1 1 57 57 VAL N N 15 122.407 0.30 . 1 . . . . 57 VAL N . 7109 1 661 . 1 1 58 58 ASP H H 1 8.764 0.02 . 1 . . . . 58 ASP HN . 7109 1 662 . 1 1 58 58 ASP HA H 1 4.589 0.02 . 1 . . . . 58 ASP HA . 7109 1 663 . 1 1 58 58 ASP HB2 H 1 3.114 0.02 . 2 . . . . 58 ASP HB1 . 7109 1 664 . 1 1 58 58 ASP HB3 H 1 2.639 0.02 . 2 . . . . 58 ASP HB2 . 7109 1 665 . 1 1 58 58 ASP C C 13 178.821 0.30 . 1 . . . . 58 ASP C . 7109 1 666 . 1 1 58 58 ASP CA C 13 56.813 0.30 . 1 . . . . 58 ASP CA . 7109 1 667 . 1 1 58 58 ASP CB C 13 40.049 0.30 . 1 . . . . 58 ASP CB . 7109 1 668 . 1 1 58 58 ASP N N 15 122.747 0.30 . 1 . . . . 58 ASP N . 7109 1 669 . 1 1 59 59 GLU H H 1 7.067 0.02 . 1 . . . . 59 GLU HN . 7109 1 670 . 1 1 59 59 GLU HA H 1 4.352 0.02 . 1 . . . . 59 GLU HA . 7109 1 671 . 1 1 59 59 GLU HB2 H 1 2.157 0.02 . 2 . . . . 59 GLU HB1 . 7109 1 672 . 1 1 59 59 GLU HB3 H 1 1.741 0.02 . 2 . . . . 59 GLU HB2 . 7109 1 673 . 1 1 59 59 GLU HG2 H 1 2.176 0.02 . 2 . . . . 59 GLU HG1 . 7109 1 674 . 1 1 59 59 GLU HG3 H 1 2.301 0.02 . 2 . . . . 59 GLU HG2 . 7109 1 675 . 1 1 59 59 GLU C C 13 175.951 0.30 . 1 . . . . 59 GLU C . 7109 1 676 . 1 1 59 59 GLU CA C 13 56.291 0.30 . 1 . . . . 59 GLU CA . 7109 1 677 . 1 1 59 59 GLU CB C 13 32.260 0.30 . 1 . . . . 59 GLU CB . 7109 1 678 . 1 1 59 59 GLU CG C 13 36.572 0.30 . 1 . . . . 59 GLU CG . 7109 1 679 . 1 1 59 59 GLU N N 15 116.240 0.30 . 1 . . . . 59 GLU N . 7109 1 680 . 1 1 60 60 ASN H H 1 7.484 0.02 . 1 . . . . 60 ASN HN . 7109 1 681 . 1 1 60 60 ASN HA H 1 5.287 0.02 . 1 . . . . 60 ASN HA . 7109 1 682 . 1 1 60 60 ASN HB2 H 1 2.787 0.02 . 2 . . . . 60 ASN HB1 . 7109 1 683 . 1 1 60 60 ASN HB3 H 1 2.579 0.02 . 2 . . . . 60 ASN HB2 . 7109 1 684 . 1 1 60 60 ASN HD21 H 1 8.251 0.02 . 2 . . . . 60 ASN HD21 . 7109 1 685 . 1 1 60 60 ASN HD22 H 1 7.575 0.02 . 2 . . . . 60 ASN HD22 . 7109 1 686 . 1 1 60 60 ASN C C 13 173.935 0.30 . 1 . . . . 60 ASN C . 7109 1 687 . 1 1 60 60 ASN CA C 13 52.761 0.30 . 1 . . . . 60 ASN CA . 7109 1 688 . 1 1 60 60 ASN CB C 13 39.776 0.30 . 1 . . . . 60 ASN CB . 7109 1 689 . 1 1 60 60 ASN N N 15 119.399 0.30 . 1 . . . . 60 ASN N . 7109 1 690 . 1 1 60 60 ASN ND2 N 15 121.650 0.30 . 1 . . . . 60 ASN ND2 . 7109 1 691 . 1 1 61 61 GLN H H 1 8.485 0.02 . 1 . . . . 61 GLN HN . 7109 1 692 . 1 1 61 61 GLN HA H 1 4.221 0.02 . 1 . . . . 61 GLN HA . 7109 1 693 . 1 1 61 61 GLN HB2 H 1 2.198 0.02 . 2 . . . . 61 GLN HB1 . 7109 1 694 . 1 1 61 61 GLN HB3 H 1 2.064 0.02 . 2 . . . . 61 GLN HB2 . 7109 1 695 . 1 1 61 61 GLN HG2 H 1 2.487 0.02 . 2 . . . . 61 GLN HG1 . 7109 1 696 . 1 1 61 61 GLN HG3 H 1 2.572 0.02 . 2 . . . . 61 GLN HG2 . 7109 1 697 . 1 1 61 61 GLN HE21 H 1 7.639 0.02 . 2 . . . . 61 GLN HE21 . 7109 1 698 . 1 1 61 61 GLN HE22 H 1 6.832 0.02 . 2 . . . . 61 GLN HE22 . 7109 1 699 . 1 1 61 61 GLN C C 13 179.756 0.30 . 1 . . . . 61 GLN C . 7109 1 700 . 1 1 61 61 GLN CA C 13 58.374 0.30 . 1 . . . . 61 GLN CA . 7109 1 701 . 1 1 61 61 GLN CB C 13 29.222 0.30 . 1 . . . . 61 GLN CB . 7109 1 702 . 1 1 61 61 GLN CG C 13 34.320 0.30 . 1 . . . . 61 GLN CG . 7109 1 703 . 1 1 61 61 GLN N N 15 119.431 0.30 . 1 . . . . 61 GLN N . 7109 1 704 . 1 1 61 61 GLN NE2 N 15 112.627 0.30 . 1 . . . . 61 GLN NE2 . 7109 1 705 . 1 1 62 62 GLU H H 1 9.517 0.02 . 1 . . . . 62 GLU HN . 7109 1 706 . 1 1 62 62 GLU HA H 1 4.092 0.02 . 1 . . . . 62 GLU HA . 7109 1 707 . 1 1 62 62 GLU HB2 H 1 1.961 0.02 . 2 . . . . 62 GLU HB2 . 7109 1 708 . 1 1 62 62 GLU HG2 H 1 2.172 0.02 . 2 . . . . 62 GLU HG1 . 7109 1 709 . 1 1 62 62 GLU HG3 H 1 2.329 0.02 . 2 . . . . 62 GLU HG2 . 7109 1 710 . 1 1 62 62 GLU C C 13 180.121 0.30 . 1 . . . . 62 GLU C . 7109 1 711 . 1 1 62 62 GLU CA C 13 59.806 0.30 . 1 . . . . 62 GLU CA . 7109 1 712 . 1 1 62 62 GLU CB C 13 29.192 0.30 . 1 . . . . 62 GLU CB . 7109 1 713 . 1 1 62 62 GLU CG C 13 36.390 0.30 . 1 . . . . 62 GLU CG . 7109 1 714 . 1 1 62 62 GLU N N 15 122.439 0.30 . 1 . . . . 62 GLU N . 7109 1 715 . 1 1 63 63 THR H H 1 8.926 0.02 . 1 . . . . 63 THR HN . 7109 1 716 . 1 1 63 63 THR HA H 1 3.822 0.02 . 1 . . . . 63 THR HA . 7109 1 717 . 1 1 63 63 THR HB H 1 3.731 0.02 . 1 . . . . 63 THR HB . 7109 1 718 . 1 1 63 63 THR HG21 H 1 0.489 0.02 . 1 . . . . 63 THR HG2 . 7109 1 719 . 1 1 63 63 THR HG22 H 1 0.489 0.02 . 1 . . . . 63 THR HG2 . 7109 1 720 . 1 1 63 63 THR HG23 H 1 0.489 0.02 . 1 . . . . 63 THR HG2 . 7109 1 721 . 1 1 63 63 THR C C 13 175.961 0.30 . 1 . . . . 63 THR C . 7109 1 722 . 1 1 63 63 THR CA C 13 68.041 0.30 . 1 . . . . 63 THR CA . 7109 1 723 . 1 1 63 63 THR CG2 C 13 21.298 0.30 . 1 . . . . 63 THR CG2 . 7109 1 724 . 1 1 63 63 THR N N 15 119.483 0.30 . 1 . . . . 63 THR N . 7109 1 725 . 1 1 64 64 ALA H H 1 7.741 0.02 . 1 . . . . 64 ALA HN . 7109 1 726 . 1 1 64 64 ALA HA H 1 3.782 0.02 . 1 . . . . 64 ALA HA . 7109 1 727 . 1 1 64 64 ALA HB1 H 1 1.469 0.02 . 1 . . . . 64 ALA HB . 7109 1 728 . 1 1 64 64 ALA HB2 H 1 1.469 0.02 . 1 . . . . 64 ALA HB . 7109 1 729 . 1 1 64 64 ALA HB3 H 1 1.469 0.02 . 1 . . . . 64 ALA HB . 7109 1 730 . 1 1 64 64 ALA C C 13 179.238 0.30 . 1 . . . . 64 ALA C . 7109 1 731 . 1 1 64 64 ALA CA C 13 55.893 0.30 . 1 . . . . 64 ALA CA . 7109 1 732 . 1 1 64 64 ALA CB C 13 17.672 0.30 . 1 . . . . 64 ALA CB . 7109 1 733 . 1 1 64 64 ALA N N 15 122.266 0.30 . 1 . . . . 64 ALA N . 7109 1 734 . 1 1 65 65 GLY H H 1 8.099 0.02 . 1 . . . . 65 GLY HN . 7109 1 735 . 1 1 65 65 GLY HA2 H 1 3.878 0.02 . 2 . . . . 65 GLY HA2 . 7109 1 736 . 1 1 65 65 GLY C C 13 177.244 0.30 . 1 . . . . 65 GLY C . 7109 1 737 . 1 1 65 65 GLY CA C 13 46.933 0.30 . 1 . . . . 65 GLY CA . 7109 1 738 . 1 1 65 65 GLY N N 15 103.736 0.30 . 1 . . . . 65 GLY N . 7109 1 739 . 1 1 66 66 LYS H H 1 8.023 0.02 . 1 . . . . 66 LYS HN . 7109 1 740 . 1 1 66 66 LYS HA H 1 3.891 0.02 . 1 . . . . 66 LYS HA . 7109 1 741 . 1 1 66 66 LYS HB2 H 1 1.829 0.02 . 2 . . . . 66 LYS HB1 . 7109 1 742 . 1 1 66 66 LYS HB3 H 1 1.680 0.02 . 2 . . . . 66 LYS HB2 . 7109 1 743 . 1 1 66 66 LYS HG2 H 1 1.207 0.02 . 2 . . . . 66 LYS HG1 . 7109 1 744 . 1 1 66 66 LYS HG3 H 1 0.716 0.02 . 2 . . . . 66 LYS HG2 . 7109 1 745 . 1 1 66 66 LYS HD2 H 1 1.493 0.02 . 2 . . . . 66 LYS HD1 . 7109 1 746 . 1 1 66 66 LYS HD3 H 1 1.546 0.02 . 2 . . . . 66 LYS HD2 . 7109 1 747 . 1 1 66 66 LYS HE2 H 1 2.822 0.02 . 2 . . . . 66 LYS HE2 . 7109 1 748 . 1 1 66 66 LYS C C 13 177.908 0.30 . 1 . . . . 66 LYS C . 7109 1 749 . 1 1 66 66 LYS CA C 13 59.254 0.30 . 1 . . . . 66 LYS CA . 7109 1 750 . 1 1 66 66 LYS CB C 13 32.401 0.30 . 1 . . . . 66 LYS CB . 7109 1 751 . 1 1 66 66 LYS CG C 13 24.799 0.30 . 1 . . . . 66 LYS CG . 7109 1 752 . 1 1 66 66 LYS CD C 13 29.553 0.30 . 1 . . . . 66 LYS CD . 7109 1 753 . 1 1 66 66 LYS CE C 13 42.211 0.30 . 1 . . . . 66 LYS CE . 7109 1 754 . 1 1 66 66 LYS N N 15 123.871 0.30 . 1 . . . . 66 LYS N . 7109 1 755 . 1 1 67 67 TYR H H 1 7.241 0.02 . 1 . . . . 67 TYR HN . 7109 1 756 . 1 1 67 67 TYR HA H 1 4.323 0.02 . 1 . . . . 67 TYR HA . 7109 1 757 . 1 1 67 67 TYR HB2 H 1 3.172 0.02 . 2 . . . . 67 TYR HB1 . 7109 1 758 . 1 1 67 67 TYR HB3 H 1 2.159 0.02 . 2 . . . . 67 TYR HB2 . 7109 1 759 . 1 1 67 67 TYR HD1 H 1 7.236 0.02 . 3 . . . . 67 TYR HD1 . 7109 1 760 . 1 1 67 67 TYR HE1 H 1 6.683 0.02 . 3 . . . . 67 TYR HE1 . 7109 1 761 . 1 1 67 67 TYR C C 13 175.090 0.30 . 1 . . . . 67 TYR C . 7109 1 762 . 1 1 67 67 TYR CA C 13 58.861 0.30 . 1 . . . . 67 TYR CA . 7109 1 763 . 1 1 67 67 TYR CB C 13 38.393 0.30 . 1 . . . . 67 TYR CB . 7109 1 764 . 1 1 67 67 TYR N N 15 113.523 0.30 . 1 . . . . 67 TYR N . 7109 1 765 . 1 1 68 68 GLY H H 1 7.614 0.02 . 1 . . . . 68 GLY HN . 7109 1 766 . 1 1 68 68 GLY HA2 H 1 3.811 0.02 . 2 . . . . 68 GLY HA2 . 7109 1 767 . 1 1 68 68 GLY C C 13 174.752 0.30 . 1 . . . . 68 GLY C . 7109 1 768 . 1 1 68 68 GLY CA C 13 47.073 0.30 . 1 . . . . 68 GLY CA . 7109 1 769 . 1 1 68 68 GLY N N 15 109.689 0.30 . 1 . . . . 68 GLY N . 7109 1 770 . 1 1 69 69 VAL H H 1 8.109 0.02 . 1 . . . . 69 VAL HN . 7109 1 771 . 1 1 69 69 VAL HA H 1 3.629 0.02 . 1 . . . . 69 VAL HA . 7109 1 772 . 1 1 69 69 VAL HB H 1 1.634 0.02 . 1 . . . . 69 VAL HB . 7109 1 773 . 1 1 69 69 VAL HG11 H 1 -0.030 0.02 . 2 . . . . 69 VAL HG1 . 7109 1 774 . 1 1 69 69 VAL HG12 H 1 -0.030 0.02 . 2 . . . . 69 VAL HG1 . 7109 1 775 . 1 1 69 69 VAL HG13 H 1 -0.030 0.02 . 2 . . . . 69 VAL HG1 . 7109 1 776 . 1 1 69 69 VAL HG21 H 1 0.642 0.02 . 2 . . . . 69 VAL HG2 . 7109 1 777 . 1 1 69 69 VAL HG22 H 1 0.642 0.02 . 2 . . . . 69 VAL HG2 . 7109 1 778 . 1 1 69 69 VAL HG23 H 1 0.642 0.02 . 2 . . . . 69 VAL HG2 . 7109 1 779 . 1 1 69 69 VAL C C 13 175.609 0.30 . 1 . . . . 69 VAL C . 7109 1 780 . 1 1 69 69 VAL CA C 13 63.874 0.30 . 1 . . . . 69 VAL CA . 7109 1 781 . 1 1 69 69 VAL CB C 13 30.749 0.30 . 1 . . . . 69 VAL CB . 7109 1 782 . 1 1 69 69 VAL CG1 C 13 20.151 0.30 . 1 . . . . 69 VAL CG1 . 7109 1 783 . 1 1 69 69 VAL CG2 C 13 21.038 0.30 . 1 . . . . 69 VAL CG2 . 7109 1 784 . 1 1 69 69 VAL N N 15 120.089 0.30 . 1 . . . . 69 VAL N . 7109 1 785 . 1 1 70 70 MET H H 1 8.503 0.02 . 1 . . . . 70 MET HN . 7109 1 786 . 1 1 70 70 MET HA H 1 4.622 0.02 . 1 . . . . 70 MET HA . 7109 1 787 . 1 1 70 70 MET HB2 H 1 2.147 0.02 . 2 . . . . 70 MET HB1 . 7109 1 788 . 1 1 70 70 MET HB3 H 1 1.950 0.02 . 2 . . . . 70 MET HB2 . 7109 1 789 . 1 1 70 70 MET HG2 H 1 2.445 0.02 . 2 . . . . 70 MET HG1 . 7109 1 790 . 1 1 70 70 MET HG3 H 1 2.573 0.02 . 2 . . . . 70 MET HG2 . 7109 1 791 . 1 1 70 70 MET C C 13 175.517 0.30 . 1 . . . . 70 MET C . 7109 1 792 . 1 1 70 70 MET CA C 13 55.305 0.30 . 1 . . . . 70 MET CA . 7109 1 793 . 1 1 70 70 MET CB C 13 34.165 0.30 . 1 . . . . 70 MET CB . 7109 1 794 . 1 1 70 70 MET CG C 13 31.972 0.30 . 1 . . . . 70 MET CG . 7109 1 795 . 1 1 70 70 MET N N 15 127.796 0.30 . 1 . . . . 70 MET N . 7109 1 796 . 1 1 71 71 SER H H 1 7.871 0.02 . 1 . . . . 71 SER HN . 7109 1 797 . 1 1 71 71 SER HA H 1 4.747 0.02 . 1 . . . . 71 SER HA . 7109 1 798 . 1 1 71 71 SER HB2 H 1 3.734 0.02 . 2 . . . . 71 SER HB2 . 7109 1 799 . 1 1 71 71 SER C C 13 172.059 0.30 . 1 . . . . 71 SER C . 7109 1 800 . 1 1 71 71 SER CA C 13 57.391 0.30 . 1 . . . . 71 SER CA . 7109 1 801 . 1 1 71 71 SER CB C 13 64.979 0.30 . 1 . . . . 71 SER CB . 7109 1 802 . 1 1 71 71 SER N N 15 114.974 0.30 . 1 . . . . 71 SER N . 7109 1 803 . 1 1 72 72 ILE H H 1 8.500 0.02 . 1 . . . . 72 ILE HN . 7109 1 804 . 1 1 72 72 ILE HA H 1 4.828 0.02 . 1 . . . . 72 ILE HA . 7109 1 805 . 1 1 72 72 ILE HB H 1 1.866 0.02 . 1 . . . . 72 ILE HB . 7109 1 806 . 1 1 72 72 ILE HG12 H 1 1.172 0.02 . 1 . . . . 72 ILE HG11 . 7109 1 807 . 1 1 72 72 ILE HG13 H 1 1.523 0.02 . 1 . . . . 72 ILE HG12 . 7109 1 808 . 1 1 72 72 ILE HG21 H 1 0.736 0.02 . 1 . . . . 72 ILE HG2 . 7109 1 809 . 1 1 72 72 ILE HG22 H 1 0.736 0.02 . 1 . . . . 72 ILE HG2 . 7109 1 810 . 1 1 72 72 ILE HG23 H 1 0.736 0.02 . 1 . . . . 72 ILE HG2 . 7109 1 811 . 1 1 72 72 ILE HD11 H 1 0.355 0.02 . 1 . . . . 72 ILE HD1 . 7109 1 812 . 1 1 72 72 ILE HD12 H 1 0.355 0.02 . 1 . . . . 72 ILE HD1 . 7109 1 813 . 1 1 72 72 ILE HD13 H 1 0.355 0.02 . 1 . . . . 72 ILE HD1 . 7109 1 814 . 1 1 72 72 ILE CA C 13 58.176 0.30 . 1 . . . . 72 ILE CA . 7109 1 815 . 1 1 72 72 ILE CB C 13 41.028 0.30 . 1 . . . . 72 ILE CB . 7109 1 816 . 1 1 72 72 ILE CG1 C 13 24.521 0.30 . 2 . . . . 72 ILE CG1 . 7109 1 817 . 1 1 72 72 ILE CG2 C 13 19.635 0.30 . 1 . . . . 72 ILE CG2 . 7109 1 818 . 1 1 72 72 ILE CD1 C 13 16.415 0.30 . 1 . . . . 72 ILE CD1 . 7109 1 819 . 1 1 72 72 ILE N N 15 115.979 0.30 . 1 . . . . 72 ILE N . 7109 1 820 . 1 1 73 73 PRO HA H 1 5.204 0.02 . 1 . . . . 73 PRO HA . 7109 1 821 . 1 1 73 73 PRO HB2 H 1 2.773 0.02 . 2 . . . . 73 PRO HB1 . 7109 1 822 . 1 1 73 73 PRO HB3 H 1 1.945 0.02 . 2 . . . . 73 PRO HB2 . 7109 1 823 . 1 1 73 73 PRO HG2 H 1 1.797 0.02 . 2 . . . . 73 PRO HG2 . 7109 1 824 . 1 1 73 73 PRO HD2 H 1 3.470 0.02 . 2 . . . . 73 PRO HD1 . 7109 1 825 . 1 1 73 73 PRO HD3 H 1 3.766 0.02 . 2 . . . . 73 PRO HD2 . 7109 1 826 . 1 1 73 73 PRO C C 13 177.278 0.30 . 1 . . . . 73 PRO C . 7109 1 827 . 1 1 73 73 PRO CA C 13 62.981 0.30 . 1 . . . . 73 PRO CA . 7109 1 828 . 1 1 73 73 PRO CB C 13 34.569 0.30 . 1 . . . . 73 PRO CB . 7109 1 829 . 1 1 73 73 PRO CG C 13 24.345 0.30 . 1 . . . . 73 PRO CG . 7109 1 830 . 1 1 73 73 PRO CD C 13 51.215 0.30 . 1 . . . . 73 PRO CD . 7109 1 831 . 1 1 74 74 THR H H 1 8.139 0.02 . 1 . . . . 74 THR HN . 7109 1 832 . 1 1 74 74 THR HA H 1 4.996 0.02 . 1 . . . . 74 THR HA . 7109 1 833 . 1 1 74 74 THR HB H 1 3.912 0.02 . 1 . . . . 74 THR HB . 7109 1 834 . 1 1 74 74 THR HG21 H 1 1.074 0.02 . 1 . . . . 74 THR HG2 . 7109 1 835 . 1 1 74 74 THR HG22 H 1 1.074 0.02 . 1 . . . . 74 THR HG2 . 7109 1 836 . 1 1 74 74 THR HG23 H 1 1.074 0.02 . 1 . . . . 74 THR HG2 . 7109 1 837 . 1 1 74 74 THR C C 13 171.567 0.30 . 1 . . . . 74 THR C . 7109 1 838 . 1 1 74 74 THR CA C 13 64.185 0.30 . 1 . . . . 74 THR CA . 7109 1 839 . 1 1 74 74 THR CB C 13 72.334 0.30 . 1 . . . . 74 THR CB . 7109 1 840 . 1 1 74 74 THR CG2 C 13 21.494 0.30 . 1 . . . . 74 THR CG2 . 7109 1 841 . 1 1 74 74 THR N N 15 120.516 0.30 . 1 . . . . 74 THR N . 7109 1 842 . 1 1 75 75 LEU H H 1 9.523 0.02 . 1 . . . . 75 LEU HN . 7109 1 843 . 1 1 75 75 LEU HA H 1 5.935 0.02 . 1 . . . . 75 LEU HA . 7109 1 844 . 1 1 75 75 LEU HB2 H 1 1.667 0.02 . 2 . . . . 75 LEU HB1 . 7109 1 845 . 1 1 75 75 LEU HB3 H 1 1.363 0.02 . 2 . . . . 75 LEU HB2 . 7109 1 846 . 1 1 75 75 LEU HG H 1 1.751 0.02 . 1 . . . . 75 LEU HG . 7109 1 847 . 1 1 75 75 LEU HD11 H 1 0.881 0.02 . 2 . . . . 75 LEU HD1 . 7109 1 848 . 1 1 75 75 LEU HD12 H 1 0.881 0.02 . 2 . . . . 75 LEU HD1 . 7109 1 849 . 1 1 75 75 LEU HD13 H 1 0.881 0.02 . 2 . . . . 75 LEU HD1 . 7109 1 850 . 1 1 75 75 LEU C C 13 175.323 0.30 . 1 . . . . 75 LEU C . 7109 1 851 . 1 1 75 75 LEU CA C 13 52.924 0.30 . 1 . . . . 75 LEU CA . 7109 1 852 . 1 1 75 75 LEU CB C 13 43.068 0.30 . 1 . . . . 75 LEU CB . 7109 1 853 . 1 1 75 75 LEU CG C 13 28.987 0.30 . 1 . . . . 75 LEU CG . 7109 1 854 . 1 1 75 75 LEU CD1 C 13 25.652 0.30 . 1 . . . . 75 LEU CD1 . 7109 1 855 . 1 1 75 75 LEU N N 15 129.113 0.30 . 1 . . . . 75 LEU N . 7109 1 856 . 1 1 76 76 LEU H H 1 9.064 0.02 . 1 . . . . 76 LEU HN . 7109 1 857 . 1 1 76 76 LEU HA H 1 5.329 0.02 . 1 . . . . 76 LEU HA . 7109 1 858 . 1 1 76 76 LEU HB2 H 1 1.727 0.02 . 2 . . . . 76 LEU HB1 . 7109 1 859 . 1 1 76 76 LEU HB3 H 1 1.468 0.02 . 2 . . . . 76 LEU HB2 . 7109 1 860 . 1 1 76 76 LEU HG H 1 0.674 0.02 . 1 . . . . 76 LEU HG . 7109 1 861 . 1 1 76 76 LEU HD11 H 1 0.921 0.02 . 2 . . . . 76 LEU HD1 . 7109 1 862 . 1 1 76 76 LEU HD12 H 1 0.921 0.02 . 2 . . . . 76 LEU HD1 . 7109 1 863 . 1 1 76 76 LEU HD13 H 1 0.921 0.02 . 2 . . . . 76 LEU HD1 . 7109 1 864 . 1 1 76 76 LEU C C 13 176.930 0.30 . 1 . . . . 76 LEU C . 7109 1 865 . 1 1 76 76 LEU CA C 13 52.485 0.30 . 1 . . . . 76 LEU CA . 7109 1 866 . 1 1 76 76 LEU CB C 13 44.876 0.30 . 1 . . . . 76 LEU CB . 7109 1 867 . 1 1 76 76 LEU CG C 13 26.548 0.30 . 1 . . . . 76 LEU CG . 7109 1 868 . 1 1 76 76 LEU CD1 C 13 24.380 0.30 . 1 . . . . 76 LEU CD1 . 7109 1 869 . 1 1 76 76 LEU N N 15 120.240 0.30 . 1 . . . . 76 LEU N . 7109 1 870 . 1 1 77 77 VAL H H 1 8.628 0.02 . 1 . . . . 77 VAL HN . 7109 1 871 . 1 1 77 77 VAL HA H 1 4.979 0.02 . 1 . . . . 77 VAL HA . 7109 1 872 . 1 1 77 77 VAL HB H 1 1.655 0.02 . 1 . . . . 77 VAL HB . 7109 1 873 . 1 1 77 77 VAL HG11 H 1 0.639 0.02 . 2 . . . . 77 VAL HG1 . 7109 1 874 . 1 1 77 77 VAL HG12 H 1 0.639 0.02 . 2 . . . . 77 VAL HG1 . 7109 1 875 . 1 1 77 77 VAL HG13 H 1 0.639 0.02 . 2 . . . . 77 VAL HG1 . 7109 1 876 . 1 1 77 77 VAL HG21 H 1 0.707 0.02 . 2 . . . . 77 VAL HG2 . 7109 1 877 . 1 1 77 77 VAL HG22 H 1 0.707 0.02 . 2 . . . . 77 VAL HG2 . 7109 1 878 . 1 1 77 77 VAL HG23 H 1 0.707 0.02 . 2 . . . . 77 VAL HG2 . 7109 1 879 . 1 1 77 77 VAL C C 13 175.034 0.30 . 1 . . . . 77 VAL C . 7109 1 880 . 1 1 77 77 VAL CA C 13 61.448 0.30 . 1 . . . . 77 VAL CA . 7109 1 881 . 1 1 77 77 VAL CB C 13 31.917 0.30 . 1 . . . . 77 VAL CB . 7109 1 882 . 1 1 77 77 VAL CG1 C 13 21.531 0.30 . 1 . . . . 77 VAL CG1 . 7109 1 883 . 1 1 77 77 VAL CG2 C 13 21.292 0.30 . 1 . . . . 77 VAL CG2 . 7109 1 884 . 1 1 77 77 VAL N N 15 121.304 0.30 . 1 . . . . 77 VAL N . 7109 1 885 . 1 1 78 78 LEU H H 1 9.706 0.02 . 1 . . . . 78 LEU HN . 7109 1 886 . 1 1 78 78 LEU HA H 1 5.403 0.02 . 1 . . . . 78 LEU HA . 7109 1 887 . 1 1 78 78 LEU HB2 H 1 1.583 0.02 . 2 . . . . 78 LEU HB1 . 7109 1 888 . 1 1 78 78 LEU HB3 H 1 1.364 0.02 . 2 . . . . 78 LEU HB2 . 7109 1 889 . 1 1 78 78 LEU HG H 1 1.371 0.02 . 1 . . . . 78 LEU HG . 7109 1 890 . 1 1 78 78 LEU HD11 H 1 0.721 0.02 . 2 . . . . 78 LEU HD1 . 7109 1 891 . 1 1 78 78 LEU HD12 H 1 0.721 0.02 . 2 . . . . 78 LEU HD1 . 7109 1 892 . 1 1 78 78 LEU HD13 H 1 0.721 0.02 . 2 . . . . 78 LEU HD1 . 7109 1 893 . 1 1 78 78 LEU HD21 H 1 0.689 0.02 . 2 . . . . 78 LEU HD2 . 7109 1 894 . 1 1 78 78 LEU HD22 H 1 0.689 0.02 . 2 . . . . 78 LEU HD2 . 7109 1 895 . 1 1 78 78 LEU HD23 H 1 0.689 0.02 . 2 . . . . 78 LEU HD2 . 7109 1 896 . 1 1 78 78 LEU C C 13 174.613 0.30 . 1 . . . . 78 LEU C . 7109 1 897 . 1 1 78 78 LEU CA C 13 54.409 0.30 . 1 . . . . 78 LEU CA . 7109 1 898 . 1 1 78 78 LEU CB C 13 44.527 0.30 . 1 . . . . 78 LEU CB . 7109 1 899 . 1 1 78 78 LEU CG C 13 29.282 0.30 . 1 . . . . 78 LEU CG . 7109 1 900 . 1 1 78 78 LEU N N 15 129.298 0.30 . 1 . . . . 78 LEU N . 7109 1 901 . 1 1 79 79 LYS H H 1 8.928 0.02 . 1 . . . . 79 LYS HN . 7109 1 902 . 1 1 79 79 LYS HA H 1 4.995 0.02 . 1 . . . . 79 LYS HA . 7109 1 903 . 1 1 79 79 LYS HB2 H 1 1.833 0.02 . 2 . . . . 79 LYS HB1 . 7109 1 904 . 1 1 79 79 LYS HB3 H 1 1.273 0.02 . 2 . . . . 79 LYS HB2 . 7109 1 905 . 1 1 79 79 LYS HG2 H 1 1.237 0.02 . 2 . . . . 79 LYS HG1 . 7109 1 906 . 1 1 79 79 LYS HG3 H 1 1.306 0.02 . 2 . . . . 79 LYS HG2 . 7109 1 907 . 1 1 79 79 LYS HD2 H 1 1.790 0.02 . 2 . . . . 79 LYS HD2 . 7109 1 908 . 1 1 79 79 LYS HE2 H 1 3.069 0.02 . 2 . . . . 79 LYS HE2 . 7109 1 909 . 1 1 79 79 LYS C C 13 176.350 0.30 . 1 . . . . 79 LYS C . 7109 1 910 . 1 1 79 79 LYS CA C 13 54.858 0.30 . 1 . . . . 79 LYS CA . 7109 1 911 . 1 1 79 79 LYS CB C 13 35.786 0.30 . 1 . . . . 79 LYS CB . 7109 1 912 . 1 1 79 79 LYS CG C 13 25.389 0.30 . 1 . . . . 79 LYS CG . 7109 1 913 . 1 1 79 79 LYS CD C 13 30.165 0.30 . 1 . . . . 79 LYS CD . 7109 1 914 . 1 1 79 79 LYS N N 15 119.733 0.30 . 1 . . . . 79 LYS N . 7109 1 915 . 1 1 80 80 ASP H H 1 9.324 0.02 . 1 . . . . 80 ASP HN . 7109 1 916 . 1 1 80 80 ASP HA H 1 4.268 0.02 . 1 . . . . 80 ASP HA . 7109 1 917 . 1 1 80 80 ASP HB2 H 1 3.005 0.02 . 2 . . . . 80 ASP HB1 . 7109 1 918 . 1 1 80 80 ASP HB3 H 1 2.725 0.02 . 2 . . . . 80 ASP HB2 . 7109 1 919 . 1 1 80 80 ASP C C 13 176.039 0.30 . 1 . . . . 80 ASP C . 7109 1 920 . 1 1 80 80 ASP CA C 13 56.158 0.30 . 1 . . . . 80 ASP CA . 7109 1 921 . 1 1 80 80 ASP CB C 13 39.844 0.30 . 1 . . . . 80 ASP CB . 7109 1 922 . 1 1 80 80 ASP N N 15 129.918 0.30 . 1 . . . . 80 ASP N . 7109 1 923 . 1 1 81 81 GLY H H 1 9.552 0.02 . 1 . . . . 81 GLY HN . 7109 1 924 . 1 1 81 81 GLY HA2 H 1 4.218 0.02 . 2 . . . . 81 GLY HA1 . 7109 1 925 . 1 1 81 81 GLY HA3 H 1 3.599 0.02 . 2 . . . . 81 GLY HA2 . 7109 1 926 . 1 1 81 81 GLY C C 13 173.725 0.30 . 1 . . . . 81 GLY C . 7109 1 927 . 1 1 81 81 GLY CA C 13 45.632 0.30 . 1 . . . . 81 GLY CA . 7109 1 928 . 1 1 81 81 GLY N N 15 104.196 0.30 . 1 . . . . 81 GLY N . 7109 1 929 . 1 1 82 82 GLU H H 1 7.684 0.02 . 1 . . . . 82 GLU HN . 7109 1 930 . 1 1 82 82 GLU HA H 1 4.656 0.02 . 1 . . . . 82 GLU HA . 7109 1 931 . 1 1 82 82 GLU HB2 H 1 2.066 0.02 . 2 . . . . 82 GLU HB1 . 7109 1 932 . 1 1 82 82 GLU HB3 H 1 1.925 0.02 . 2 . . . . 82 GLU HB2 . 7109 1 933 . 1 1 82 82 GLU HG2 H 1 2.155 0.02 . 2 . . . . 82 GLU HG1 . 7109 1 934 . 1 1 82 82 GLU HG3 H 1 2.312 0.02 . 2 . . . . 82 GLU HG2 . 7109 1 935 . 1 1 82 82 GLU C C 13 175.979 0.30 . 1 . . . . 82 GLU C . 7109 1 936 . 1 1 82 82 GLU CA C 13 54.319 0.30 . 1 . . . . 82 GLU CA . 7109 1 937 . 1 1 82 82 GLU CB C 13 31.732 0.30 . 1 . . . . 82 GLU CB . 7109 1 938 . 1 1 82 82 GLU CG C 13 35.708 0.30 . 1 . . . . 82 GLU CG . 7109 1 939 . 1 1 82 82 GLU N N 15 120.959 0.30 . 1 . . . . 82 GLU N . 7109 1 940 . 1 1 83 83 VAL H H 1 9.015 0.02 . 1 . . . . 83 VAL HN . 7109 1 941 . 1 1 83 83 VAL HA H 1 4.041 0.02 . 1 . . . . 83 VAL HA . 7109 1 942 . 1 1 83 83 VAL HB H 1 2.106 0.02 . 1 . . . . 83 VAL HB . 7109 1 943 . 1 1 83 83 VAL HG11 H 1 0.927 0.02 . 2 . . . . 83 VAL HG1 . 7109 1 944 . 1 1 83 83 VAL HG12 H 1 0.927 0.02 . 2 . . . . 83 VAL HG1 . 7109 1 945 . 1 1 83 83 VAL HG13 H 1 0.927 0.02 . 2 . . . . 83 VAL HG1 . 7109 1 946 . 1 1 83 83 VAL HG21 H 1 1.175 0.02 . 2 . . . . 83 VAL HG2 . 7109 1 947 . 1 1 83 83 VAL HG22 H 1 1.175 0.02 . 2 . . . . 83 VAL HG2 . 7109 1 948 . 1 1 83 83 VAL HG23 H 1 1.175 0.02 . 2 . . . . 83 VAL HG2 . 7109 1 949 . 1 1 83 83 VAL C C 13 177.279 0.30 . 1 . . . . 83 VAL C . 7109 1 950 . 1 1 83 83 VAL CA C 13 64.809 0.30 . 1 . . . . 83 VAL CA . 7109 1 951 . 1 1 83 83 VAL CB C 13 31.735 0.30 . 1 . . . . 83 VAL CB . 7109 1 952 . 1 1 83 83 VAL CG1 C 13 22.038 0.30 . 1 . . . . 83 VAL CG1 . 7109 1 953 . 1 1 83 83 VAL CG2 C 13 22.788 0.30 . 1 . . . . 83 VAL CG2 . 7109 1 954 . 1 1 83 83 VAL N N 15 124.713 0.30 . 1 . . . . 83 VAL N . 7109 1 955 . 1 1 84 84 VAL H H 1 9.325 0.02 . 1 . . . . 84 VAL HN . 7109 1 956 . 1 1 84 84 VAL HA H 1 4.618 0.02 . 1 . . . . 84 VAL HA . 7109 1 957 . 1 1 84 84 VAL HB H 1 1.987 0.02 . 1 . . . . 84 VAL HB . 7109 1 958 . 1 1 84 84 VAL HG11 H 1 0.051 0.02 . 2 . . . . 84 VAL HG1 . 7109 1 959 . 1 1 84 84 VAL HG12 H 1 0.051 0.02 . 2 . . . . 84 VAL HG1 . 7109 1 960 . 1 1 84 84 VAL HG13 H 1 0.051 0.02 . 2 . . . . 84 VAL HG1 . 7109 1 961 . 1 1 84 84 VAL HG21 H 1 0.877 0.02 . 2 . . . . 84 VAL HG2 . 7109 1 962 . 1 1 84 84 VAL HG22 H 1 0.877 0.02 . 2 . . . . 84 VAL HG2 . 7109 1 963 . 1 1 84 84 VAL HG23 H 1 0.877 0.02 . 2 . . . . 84 VAL HG2 . 7109 1 964 . 1 1 84 84 VAL C C 13 176.216 0.30 . 1 . . . . 84 VAL C . 7109 1 965 . 1 1 84 84 VAL CA C 13 61.195 0.30 . 1 . . . . 84 VAL CA . 7109 1 966 . 1 1 84 84 VAL CB C 13 34.237 0.30 . 1 . . . . 84 VAL CB . 7109 1 967 . 1 1 84 84 VAL CG1 C 13 18.309 0.30 . 1 . . . . 84 VAL CG1 . 7109 1 968 . 1 1 84 84 VAL CG2 C 13 21.857 0.30 . 1 . . . . 84 VAL CG2 . 7109 1 969 . 1 1 84 84 VAL N N 15 121.412 0.30 . 1 . . . . 84 VAL N . 7109 1 970 . 1 1 85 85 GLU H H 1 7.690 0.02 . 1 . . . . 85 GLU HN . 7109 1 971 . 1 1 85 85 GLU HA H 1 4.710 0.02 . 1 . . . . 85 GLU HA . 7109 1 972 . 1 1 85 85 GLU HB2 H 1 2.043 0.02 . 2 . . . . 85 GLU HB1 . 7109 1 973 . 1 1 85 85 GLU HB3 H 1 1.598 0.02 . 2 . . . . 85 GLU HB2 . 7109 1 974 . 1 1 85 85 GLU HG2 H 1 2.155 0.02 . 2 . . . . 85 GLU HG1 . 7109 1 975 . 1 1 85 85 GLU HG3 H 1 2.385 0.02 . 2 . . . . 85 GLU HG2 . 7109 1 976 . 1 1 85 85 GLU C C 13 174.824 0.30 . 1 . . . . 85 GLU C . 7109 1 977 . 1 1 85 85 GLU CA C 13 56.190 0.30 . 1 . . . . 85 GLU CA . 7109 1 978 . 1 1 85 85 GLU CB C 13 33.349 0.30 . 1 . . . . 85 GLU CB . 7109 1 979 . 1 1 85 85 GLU CG C 13 34.621 0.30 . 1 . . . . 85 GLU CG . 7109 1 980 . 1 1 85 85 GLU N N 15 117.912 0.30 . 1 . . . . 85 GLU N . 7109 1 981 . 1 1 86 86 THR H H 1 8.695 0.02 . 1 . . . . 86 THR HN . 7109 1 982 . 1 1 86 86 THR HA H 1 4.808 0.02 . 1 . . . . 86 THR HA . 7109 1 983 . 1 1 86 86 THR HB H 1 3.876 0.02 . 1 . . . . 86 THR HB . 7109 1 984 . 1 1 86 86 THR HG21 H 1 1.064 0.02 . 1 . . . . 86 THR HG2 . 7109 1 985 . 1 1 86 86 THR HG22 H 1 1.064 0.02 . 1 . . . . 86 THR HG2 . 7109 1 986 . 1 1 86 86 THR HG23 H 1 1.064 0.02 . 1 . . . . 86 THR HG2 . 7109 1 987 . 1 1 86 86 THR C C 13 173.431 0.30 . 1 . . . . 86 THR C . 7109 1 988 . 1 1 86 86 THR CA C 13 62.390 0.30 . 1 . . . . 86 THR CA . 7109 1 989 . 1 1 86 86 THR CB C 13 71.269 0.30 . 1 . . . . 86 THR CB . 7109 1 990 . 1 1 86 86 THR CG2 C 13 20.548 0.30 . 1 . . . . 86 THR CG2 . 7109 1 991 . 1 1 86 86 THR N N 15 117.663 0.30 . 1 . . . . 86 THR N . 7109 1 992 . 1 1 87 87 SER H H 1 9.239 0.02 . 1 . . . . 87 SER HN . 7109 1 993 . 1 1 87 87 SER HA H 1 4.784 0.02 . 1 . . . . 87 SER HA . 7109 1 994 . 1 1 87 87 SER HB2 H 1 3.711 0.02 . 2 . . . . 87 SER HB1 . 7109 1 995 . 1 1 87 87 SER HB3 H 1 3.434 0.02 . 2 . . . . 87 SER HB2 . 7109 1 996 . 1 1 87 87 SER C C 13 173.752 0.30 . 1 . . . . 87 SER C . 7109 1 997 . 1 1 87 87 SER CA C 13 56.946 0.30 . 1 . . . . 87 SER CA . 7109 1 998 . 1 1 87 87 SER CB C 13 64.229 0.30 . 1 . . . . 87 SER CB . 7109 1 999 . 1 1 87 87 SER N N 15 120.935 0.30 . 1 . . . . 87 SER N . 7109 1 1000 . 1 1 88 88 VAL H H 1 9.020 0.02 . 1 . . . . 88 VAL HN . 7109 1 1001 . 1 1 88 88 VAL HA H 1 4.718 0.02 . 1 . . . . 88 VAL HA . 7109 1 1002 . 1 1 88 88 VAL HB H 1 1.984 0.02 . 1 . . . . 88 VAL HB . 7109 1 1003 . 1 1 88 88 VAL HG11 H 1 0.890 0.02 . 2 . . . . 88 VAL HG1 . 7109 1 1004 . 1 1 88 88 VAL HG12 H 1 0.890 0.02 . 2 . . . . 88 VAL HG1 . 7109 1 1005 . 1 1 88 88 VAL HG13 H 1 0.890 0.02 . 2 . . . . 88 VAL HG1 . 7109 1 1006 . 1 1 88 88 VAL HG21 H 1 0.973 0.02 . 2 . . . . 88 VAL HG2 . 7109 1 1007 . 1 1 88 88 VAL HG22 H 1 0.973 0.02 . 2 . . . . 88 VAL HG2 . 7109 1 1008 . 1 1 88 88 VAL HG23 H 1 0.973 0.02 . 2 . . . . 88 VAL HG2 . 7109 1 1009 . 1 1 88 88 VAL C C 13 176.545 0.30 . 1 . . . . 88 VAL C . 7109 1 1010 . 1 1 88 88 VAL CA C 13 62.146 0.30 . 1 . . . . 88 VAL CA . 7109 1 1011 . 1 1 88 88 VAL CB C 13 33.730 0.30 . 1 . . . . 88 VAL CB . 7109 1 1012 . 1 1 88 88 VAL CG1 C 13 21.288 0.30 . 1 . . . . 88 VAL CG1 . 7109 1 1013 . 1 1 88 88 VAL CG2 C 13 20.788 0.30 . 1 . . . . 88 VAL CG2 . 7109 1 1014 . 1 1 88 88 VAL N N 15 131.026 0.30 . 1 . . . . 88 VAL N . 7109 1 1015 . 1 1 89 89 GLY H H 1 8.284 0.02 . 1 . . . . 89 GLY HN . 7109 1 1016 . 1 1 89 89 GLY HA2 H 1 4.532 0.02 . 2 . . . . 89 GLY HA1 . 7109 1 1017 . 1 1 89 89 GLY HA3 H 1 3.684 0.02 . 2 . . . . 89 GLY HA2 . 7109 1 1018 . 1 1 89 89 GLY C C 13 173.076 0.30 . 1 . . . . 89 GLY C . 7109 1 1019 . 1 1 89 89 GLY CA C 13 43.554 0.30 . 1 . . . . 89 GLY CA . 7109 1 1020 . 1 1 89 89 GLY N N 15 111.902 0.30 . 1 . . . . 89 GLY N . 7109 1 1021 . 1 1 90 90 PHE H H 1 8.928 0.02 . 1 . . . . 90 PHE HN . 7109 1 1022 . 1 1 90 90 PHE HA H 1 3.884 0.02 . 1 . . . . 90 PHE HA . 7109 1 1023 . 1 1 90 90 PHE HB2 H 1 3.079 0.02 . 2 . . . . 90 PHE HB1 . 7109 1 1024 . 1 1 90 90 PHE HB3 H 1 2.887 0.02 . 2 . . . . 90 PHE HB2 . 7109 1 1025 . 1 1 90 90 PHE HD1 H 1 7.009 0.02 . 3 . . . . 90 PHE HD1 . 7109 1 1026 . 1 1 90 90 PHE HE1 H 1 7.187 0.02 . 3 . . . . 90 PHE HE1 . 7109 1 1027 . 1 1 90 90 PHE HZ H 1 7.287 0.02 . 1 . . . . 90 PHE HZ . 7109 1 1028 . 1 1 90 90 PHE C C 13 175.012 0.30 . 1 . . . . 90 PHE C . 7109 1 1029 . 1 1 90 90 PHE CA C 13 61.100 0.30 . 1 . . . . 90 PHE CA . 7109 1 1030 . 1 1 90 90 PHE CB C 13 39.559 0.30 . 1 . . . . 90 PHE CB . 7109 1 1031 . 1 1 90 90 PHE N N 15 118.176 0.30 . 1 . . . . 90 PHE N . 7109 1 1032 . 1 1 91 91 LYS H H 1 5.863 0.02 . 1 . . . . 91 LYS HN . 7109 1 1033 . 1 1 91 91 LYS HA H 1 4.271 0.02 . 1 . . . . 91 LYS HA . 7109 1 1034 . 1 1 91 91 LYS HB2 H 1 1.156 0.02 . 2 . . . . 91 LYS HB1 . 7109 1 1035 . 1 1 91 91 LYS HB3 H 1 1.460 0.02 . 2 . . . . 91 LYS HB2 . 7109 1 1036 . 1 1 91 91 LYS HG2 H 1 1.201 0.02 . 2 . . . . 91 LYS HG2 . 7109 1 1037 . 1 1 91 91 LYS HD2 H 1 1.360 0.02 . 2 . . . . 91 LYS HD1 . 7109 1 1038 . 1 1 91 91 LYS HD3 H 1 1.598 0.02 . 2 . . . . 91 LYS HD2 . 7109 1 1039 . 1 1 91 91 LYS HE2 H 1 2.848 0.02 . 2 . . . . 91 LYS HE1 . 7109 1 1040 . 1 1 91 91 LYS HE3 H 1 2.921 0.02 . 2 . . . . 91 LYS HE2 . 7109 1 1041 . 1 1 91 91 LYS CA C 13 52.380 0.30 . 1 . . . . 91 LYS CA . 7109 1 1042 . 1 1 91 91 LYS CB C 13 36.425 0.30 . 1 . . . . 91 LYS CB . 7109 1 1043 . 1 1 91 91 LYS CG C 13 24.840 0.30 . 1 . . . . 91 LYS CG . 7109 1 1044 . 1 1 91 91 LYS CD C 13 28.726 0.30 . 1 . . . . 91 LYS CD . 7109 1 1045 . 1 1 91 91 LYS CE C 13 42.541 0.30 . 1 . . . . 91 LYS CE . 7109 1 1046 . 1 1 91 91 LYS N N 15 127.808 0.30 . 1 . . . . 91 LYS N . 7109 1 1047 . 1 1 92 92 PRO HA H 1 4.371 0.02 . 1 . . . . 92 PRO HA . 7109 1 1048 . 1 1 92 92 PRO HB2 H 1 2.426 0.02 . 2 . . . . 92 PRO HB1 . 7109 1 1049 . 1 1 92 92 PRO HB3 H 1 2.260 0.02 . 2 . . . . 92 PRO HB2 . 7109 1 1050 . 1 1 92 92 PRO HG2 H 1 1.841 0.02 . 2 . . . . 92 PRO HG1 . 7109 1 1051 . 1 1 92 92 PRO HG3 H 1 2.162 0.02 . 2 . . . . 92 PRO HG2 . 7109 1 1052 . 1 1 92 92 PRO HD2 H 1 3.424 0.02 . 2 . . . . 92 PRO HD1 . 7109 1 1053 . 1 1 92 92 PRO HD3 H 1 3.521 0.02 . 2 . . . . 92 PRO HD2 . 7109 1 1054 . 1 1 92 92 PRO C C 13 176.983 0.30 . 1 . . . . 92 PRO C . 7109 1 1055 . 1 1 92 92 PRO CA C 13 61.098 0.30 . 1 . . . . 92 PRO CA . 7109 1 1056 . 1 1 92 92 PRO CB C 13 33.048 0.30 . 1 . . . . 92 PRO CB . 7109 1 1057 . 1 1 92 92 PRO CG C 13 27.426 0.30 . 1 . . . . 92 PRO CG . 7109 1 1058 . 1 1 92 92 PRO CD C 13 50.004 0.30 . 1 . . . . 92 PRO CD . 7109 1 1059 . 1 1 93 93 LYS H H 1 8.956 0.02 . 1 . . . . 93 LYS HN . 7109 1 1060 . 1 1 93 93 LYS HA H 1 3.404 0.02 . 1 . . . . 93 LYS HA . 7109 1 1061 . 1 1 93 93 LYS HB2 H 1 1.910 0.02 . 2 . . . . 93 LYS HB1 . 7109 1 1062 . 1 1 93 93 LYS HB3 H 1 1.742 0.02 . 2 . . . . 93 LYS HB2 . 7109 1 1063 . 1 1 93 93 LYS HG2 H 1 1.239 0.02 . 2 . . . . 93 LYS HG2 . 7109 1 1064 . 1 1 93 93 LYS HD2 H 1 1.635 0.02 . 2 . . . . 93 LYS HD2 . 7109 1 1065 . 1 1 93 93 LYS HE2 H 1 2.737 0.02 . 2 . . . . 93 LYS HE1 . 7109 1 1066 . 1 1 93 93 LYS HE3 H 1 2.848 0.02 . 2 . . . . 93 LYS HE2 . 7109 1 1067 . 1 1 93 93 LYS C C 13 177.918 0.30 . 1 . . . . 93 LYS C . 7109 1 1068 . 1 1 93 93 LYS CA C 13 61.242 0.30 . 1 . . . . 93 LYS CA . 7109 1 1069 . 1 1 93 93 LYS CB C 13 32.575 0.30 . 1 . . . . 93 LYS CB . 7109 1 1070 . 1 1 93 93 LYS CG C 13 24.532 0.30 . 1 . . . . 93 LYS CG . 7109 1 1071 . 1 1 93 93 LYS CD C 13 29.326 0.30 . 1 . . . . 93 LYS CD . 7109 1 1072 . 1 1 93 93 LYS CE C 13 41.485 0.30 . 1 . . . . 93 LYS CE . 7109 1 1073 . 1 1 93 93 LYS N N 15 120.466 0.30 . 1 . . . . 93 LYS N . 7109 1 1074 . 1 1 94 94 GLU H H 1 9.650 0.02 . 1 . . . . 94 GLU HN . 7109 1 1075 . 1 1 94 94 GLU HA H 1 4.120 0.02 . 1 . . . . 94 GLU HA . 7109 1 1076 . 1 1 94 94 GLU HB2 H 1 1.998 0.02 . 2 . . . . 94 GLU HB2 . 7109 1 1077 . 1 1 94 94 GLU HG2 H 1 2.322 0.02 . 2 . . . . 94 GLU HG1 . 7109 1 1078 . 1 1 94 94 GLU HG3 H 1 2.449 0.02 . 2 . . . . 94 GLU HG2 . 7109 1 1079 . 1 1 94 94 GLU C C 13 178.778 0.30 . 1 . . . . 94 GLU C . 7109 1 1080 . 1 1 94 94 GLU CA C 13 60.195 0.30 . 1 . . . . 94 GLU CA . 7109 1 1081 . 1 1 94 94 GLU CB C 13 28.233 0.30 . 1 . . . . 94 GLU CB . 7109 1 1082 . 1 1 94 94 GLU CG C 13 36.586 0.30 . 1 . . . . 94 GLU CG . 7109 1 1083 . 1 1 94 94 GLU N N 15 116.102 0.30 . 1 . . . . 94 GLU N . 7109 1 1084 . 1 1 95 95 ALA H H 1 6.948 0.02 . 1 . . . . 95 ALA HN . 7109 1 1085 . 1 1 95 95 ALA HA H 1 4.283 0.02 . 1 . . . . 95 ALA HA . 7109 1 1086 . 1 1 95 95 ALA HB1 H 1 1.451 0.02 . 1 . . . . 95 ALA HB . 7109 1 1087 . 1 1 95 95 ALA HB2 H 1 1.451 0.02 . 1 . . . . 95 ALA HB . 7109 1 1088 . 1 1 95 95 ALA HB3 H 1 1.451 0.02 . 1 . . . . 95 ALA HB . 7109 1 1089 . 1 1 95 95 ALA C C 13 180.796 0.30 . 1 . . . . 95 ALA C . 7109 1 1090 . 1 1 95 95 ALA CA C 13 54.108 0.30 . 1 . . . . 95 ALA CA . 7109 1 1091 . 1 1 95 95 ALA CB C 13 18.953 0.30 . 1 . . . . 95 ALA CB . 7109 1 1092 . 1 1 95 95 ALA N N 15 121.363 0.30 . 1 . . . . 95 ALA N . 7109 1 1093 . 1 1 96 96 LEU H H 1 7.572 0.02 . 1 . . . . 96 LEU HN . 7109 1 1094 . 1 1 96 96 LEU HA H 1 3.952 0.02 . 1 . . . . 96 LEU HA . 7109 1 1095 . 1 1 96 96 LEU HB2 H 1 1.748 0.02 . 2 . . . . 96 LEU HB1 . 7109 1 1096 . 1 1 96 96 LEU HB3 H 1 1.073 0.02 . 2 . . . . 96 LEU HB2 . 7109 1 1097 . 1 1 96 96 LEU HG H 1 1.477 0.02 . 1 . . . . 96 LEU HG . 7109 1 1098 . 1 1 96 96 LEU HD11 H 1 0.601 0.02 . 2 . . . . 96 LEU HD1 . 7109 1 1099 . 1 1 96 96 LEU HD12 H 1 0.601 0.02 . 2 . . . . 96 LEU HD1 . 7109 1 1100 . 1 1 96 96 LEU HD13 H 1 0.601 0.02 . 2 . . . . 96 LEU HD1 . 7109 1 1101 . 1 1 96 96 LEU HD21 H 1 0.573 0.02 . 2 . . . . 96 LEU HD2 . 7109 1 1102 . 1 1 96 96 LEU HD22 H 1 0.573 0.02 . 2 . . . . 96 LEU HD2 . 7109 1 1103 . 1 1 96 96 LEU HD23 H 1 0.573 0.02 . 2 . . . . 96 LEU HD2 . 7109 1 1104 . 1 1 96 96 LEU C C 13 178.466 0.30 . 1 . . . . 96 LEU C . 7109 1 1105 . 1 1 96 96 LEU CA C 13 57.442 0.30 . 1 . . . . 96 LEU CA . 7109 1 1106 . 1 1 96 96 LEU CB C 13 41.857 0.30 . 1 . . . . 96 LEU CB . 7109 1 1107 . 1 1 96 96 LEU CG C 13 26.288 0.30 . 1 . . . . 96 LEU CG . 7109 1 1108 . 1 1 96 96 LEU CD1 C 13 25.774 0.30 . 1 . . . . 96 LEU CD1 . 7109 1 1109 . 1 1 96 96 LEU N N 15 119.119 0.30 . 1 . . . . 96 LEU N . 7109 1 1110 . 1 1 97 97 GLN H H 1 8.716 0.02 . 1 . . . . 97 GLN HN . 7109 1 1111 . 1 1 97 97 GLN HA H 1 3.667 0.02 . 1 . . . . 97 GLN HA . 7109 1 1112 . 1 1 97 97 GLN HB2 H 1 2.090 0.02 . 2 . . . . 97 GLN HB1 . 7109 1 1113 . 1 1 97 97 GLN HB3 H 1 2.000 0.02 . 2 . . . . 97 GLN HB2 . 7109 1 1114 . 1 1 97 97 GLN HG2 H 1 2.207 0.02 . 2 . . . . 97 GLN HG1 . 7109 1 1115 . 1 1 97 97 GLN HG3 H 1 2.311 0.02 . 2 . . . . 97 GLN HG2 . 7109 1 1116 . 1 1 97 97 GLN HE21 H 1 7.361 0.02 . 2 . . . . 97 GLN HE21 . 7109 1 1117 . 1 1 97 97 GLN HE22 H 1 6.860 0.02 . 2 . . . . 97 GLN HE22 . 7109 1 1118 . 1 1 97 97 GLN C C 13 177.535 0.30 . 1 . . . . 97 GLN C . 7109 1 1119 . 1 1 97 97 GLN CA C 13 59.693 0.30 . 1 . . . . 97 GLN CA . 7109 1 1120 . 1 1 97 97 GLN CB C 13 28.677 0.30 . 1 . . . . 97 GLN CB . 7109 1 1121 . 1 1 97 97 GLN CG C 13 34.500 0.30 . 1 . . . . 97 GLN CG . 7109 1 1122 . 1 1 97 97 GLN N N 15 118.265 0.30 . 1 . . . . 97 GLN N . 7109 1 1123 . 1 1 97 97 GLN NE2 N 15 111.513 0.30 . 1 . . . . 97 GLN NE2 . 7109 1 1124 . 1 1 98 98 GLU H H 1 7.407 0.02 . 1 . . . . 98 GLU HN . 7109 1 1125 . 1 1 98 98 GLU HA H 1 3.987 0.02 . 1 . . . . 98 GLU HA . 7109 1 1126 . 1 1 98 98 GLU HB2 H 1 2.084 0.02 . 2 . . . . 98 GLU HB2 . 7109 1 1127 . 1 1 98 98 GLU HG2 H 1 2.231 0.02 . 2 . . . . 98 GLU HG1 . 7109 1 1128 . 1 1 98 98 GLU HG3 H 1 2.397 0.02 . 2 . . . . 98 GLU HG2 . 7109 1 1129 . 1 1 98 98 GLU C C 13 178.396 0.30 . 1 . . . . 98 GLU C . 7109 1 1130 . 1 1 98 98 GLU CA C 13 59.529 0.30 . 1 . . . . 98 GLU CA . 7109 1 1131 . 1 1 98 98 GLU CB C 13 29.533 0.30 . 1 . . . . 98 GLU CB . 7109 1 1132 . 1 1 98 98 GLU CG C 13 36.218 0.30 . 1 . . . . 98 GLU CG . 7109 1 1133 . 1 1 98 98 GLU N N 15 117.625 0.30 . 1 . . . . 98 GLU N . 7109 1 1134 . 1 1 99 99 LEU H H 1 7.267 0.02 . 1 . . . . 99 LEU HN . 7109 1 1135 . 1 1 99 99 LEU HA H 1 4.018 0.02 . 1 . . . . 99 LEU HA . 7109 1 1136 . 1 1 99 99 LEU HB2 H 1 1.836 0.02 . 2 . . . . 99 LEU HB1 . 7109 1 1137 . 1 1 99 99 LEU HB3 H 1 1.614 0.02 . 2 . . . . 99 LEU HB2 . 7109 1 1138 . 1 1 99 99 LEU HG H 1 1.715 0.02 . 1 . . . . 99 LEU HG . 7109 1 1139 . 1 1 99 99 LEU HD11 H 1 0.763 0.02 . 2 . . . . 99 LEU HD1 . 7109 1 1140 . 1 1 99 99 LEU HD12 H 1 0.763 0.02 . 2 . . . . 99 LEU HD1 . 7109 1 1141 . 1 1 99 99 LEU HD13 H 1 0.763 0.02 . 2 . . . . 99 LEU HD1 . 7109 1 1142 . 1 1 99 99 LEU HD21 H 1 0.836 0.02 . 2 . . . . 99 LEU HD2 . 7109 1 1143 . 1 1 99 99 LEU HD22 H 1 0.836 0.02 . 2 . . . . 99 LEU HD2 . 7109 1 1144 . 1 1 99 99 LEU HD23 H 1 0.836 0.02 . 2 . . . . 99 LEU HD2 . 7109 1 1145 . 1 1 99 99 LEU C C 13 177.843 0.30 . 1 . . . . 99 LEU C . 7109 1 1146 . 1 1 99 99 LEU CA C 13 57.881 0.30 . 1 . . . . 99 LEU CA . 7109 1 1147 . 1 1 99 99 LEU CB C 13 42.903 0.30 . 1 . . . . 99 LEU CB . 7109 1 1148 . 1 1 99 99 LEU CG C 13 26.519 0.30 . 1 . . . . 99 LEU CG . 7109 1 1149 . 1 1 99 99 LEU CD1 C 13 24.288 0.30 . 1 . . . . 99 LEU CD1 . 7109 1 1150 . 1 1 99 99 LEU CD2 C 13 24.788 0.30 . 1 . . . . 99 LEU CD2 . 7109 1 1151 . 1 1 99 99 LEU N N 15 117.906 0.30 . 1 . . . . 99 LEU N . 7109 1 1152 . 1 1 100 100 VAL H H 1 7.678 0.02 . 1 . . . . 100 VAL HN . 7109 1 1153 . 1 1 100 100 VAL HA H 1 3.788 0.02 . 1 . . . . 100 VAL HA . 7109 1 1154 . 1 1 100 100 VAL HB H 1 2.021 0.02 . 1 . . . . 100 VAL HB . 7109 1 1155 . 1 1 100 100 VAL HG11 H 1 0.935 0.02 . 2 . . . . 100 VAL HG1 . 7109 1 1156 . 1 1 100 100 VAL HG12 H 1 0.935 0.02 . 2 . . . . 100 VAL HG1 . 7109 1 1157 . 1 1 100 100 VAL HG13 H 1 0.935 0.02 . 2 . . . . 100 VAL HG1 . 7109 1 1158 . 1 1 100 100 VAL HG21 H 1 0.990 0.02 . 2 . . . . 100 VAL HG2 . 7109 1 1159 . 1 1 100 100 VAL HG22 H 1 0.990 0.02 . 2 . . . . 100 VAL HG2 . 7109 1 1160 . 1 1 100 100 VAL HG23 H 1 0.990 0.02 . 2 . . . . 100 VAL HG2 . 7109 1 1161 . 1 1 100 100 VAL C C 13 178.445 0.30 . 1 . . . . 100 VAL C . 7109 1 1162 . 1 1 100 100 VAL CA C 13 65.580 0.30 . 1 . . . . 100 VAL CA . 7109 1 1163 . 1 1 100 100 VAL CB C 13 32.345 0.30 . 1 . . . . 100 VAL CB . 7109 1 1164 . 1 1 100 100 VAL CG1 C 13 22.602 0.30 . 1 . . . . 100 VAL CG1 . 7109 1 1165 . 1 1 100 100 VAL CG2 C 13 21.574 0.30 . 1 . . . . 100 VAL CG2 . 7109 1 1166 . 1 1 100 100 VAL N N 15 111.966 0.30 . 1 . . . . 100 VAL N . 7109 1 1167 . 1 1 101 101 ASN H H 1 8.562 0.02 . 1 . . . . 101 ASN HN . 7109 1 1168 . 1 1 101 101 ASN HA H 1 4.441 0.02 . 1 . . . . 101 ASN HA . 7109 1 1169 . 1 1 101 101 ASN HB2 H 1 2.873 0.02 . 2 . . . . 101 ASN HB1 . 7109 1 1170 . 1 1 101 101 ASN HB3 H 1 2.689 0.02 . 2 . . . . 101 ASN HB2 . 7109 1 1171 . 1 1 101 101 ASN HD21 H 1 7.309 0.02 . 2 . . . . 101 ASN HD21 . 7109 1 1172 . 1 1 101 101 ASN HD22 H 1 6.665 0.02 . 2 . . . . 101 ASN HD22 . 7109 1 1173 . 1 1 101 101 ASN C C 13 177.793 0.30 . 1 . . . . 101 ASN C . 7109 1 1174 . 1 1 101 101 ASN CA C 13 55.951 0.30 . 1 . . . . 101 ASN CA . 7109 1 1175 . 1 1 101 101 ASN CB C 13 38.084 0.30 . 1 . . . . 101 ASN CB . 7109 1 1176 . 1 1 101 101 ASN N N 15 118.349 0.30 . 1 . . . . 101 ASN N . 7109 1 1177 . 1 1 101 101 ASN ND2 N 15 108.995 0.30 . 1 . . . . 101 ASN ND2 . 7109 1 1178 . 1 1 102 102 LYS H H 1 7.239 0.02 . 1 . . . . 102 LYS HN . 7109 1 1179 . 1 1 102 102 LYS HA H 1 4.036 0.02 . 1 . . . . 102 LYS HA . 7109 1 1180 . 1 1 102 102 LYS HB2 H 1 1.644 0.02 . 2 . . . . 102 LYS HB1 . 7109 1 1181 . 1 1 102 102 LYS HB3 H 1 1.471 0.02 . 2 . . . . 102 LYS HB2 . 7109 1 1182 . 1 1 102 102 LYS HG2 H 1 1.187 0.02 . 2 . . . . 102 LYS HG1 . 7109 1 1183 . 1 1 102 102 LYS HG3 H 1 1.132 0.02 . 2 . . . . 102 LYS HG2 . 7109 1 1184 . 1 1 102 102 LYS HD2 H 1 1.680 0.02 . 2 . . . . 102 LYS HD1 . 7109 1 1185 . 1 1 102 102 LYS HD3 H 1 1.614 0.02 . 2 . . . . 102 LYS HD2 . 7109 1 1186 . 1 1 102 102 LYS HE2 H 1 2.879 0.02 . 2 . . . . 102 LYS HE1 . 7109 1 1187 . 1 1 102 102 LYS HE3 H 1 2.965 0.02 . 2 . . . . 102 LYS HE2 . 7109 1 1188 . 1 1 102 102 LYS C C 13 176.597 0.30 . 1 . . . . 102 LYS C . 7109 1 1189 . 1 1 102 102 LYS CA C 13 58.139 0.30 . 1 . . . . 102 LYS CA . 7109 1 1190 . 1 1 102 102 LYS CB C 13 32.345 0.30 . 1 . . . . 102 LYS CB . 7109 1 1191 . 1 1 102 102 LYS CG C 13 24.200 0.30 . 1 . . . . 102 LYS CG . 7109 1 1192 . 1 1 102 102 LYS CD C 13 29.442 0.30 . 1 . . . . 102 LYS CD . 7109 1 1193 . 1 1 102 102 LYS CE C 13 41.895 0.30 . 1 . . . . 102 LYS CE . 7109 1 1194 . 1 1 102 102 LYS N N 15 116.360 0.30 . 1 . . . . 102 LYS N . 7109 1 1195 . 1 1 103 103 HIS H H 1 7.784 0.02 . 1 . . . . 103 HIS HN . 7109 1 1196 . 1 1 103 103 HIS HA H 1 4.716 0.02 . 1 . . . . 103 HIS HA . 7109 1 1197 . 1 1 103 103 HIS HB2 H 1 3.334 0.02 . 2 . . . . 103 HIS HB1 . 7109 1 1198 . 1 1 103 103 HIS HB3 H 1 2.676 0.02 . 2 . . . . 103 HIS HB2 . 7109 1 1199 . 1 1 103 103 HIS HD2 H 1 7.543 0.02 . 3 . . . . 103 HIS HD2 . 7109 1 1200 . 1 1 103 103 HIS C C 13 173.200 0.30 . 1 . . . . 103 HIS C . 7109 1 1201 . 1 1 103 103 HIS CA C 13 55.983 0.30 . 1 . . . . 103 HIS CA . 7109 1 1202 . 1 1 103 103 HIS CB C 13 31.657 0.30 . 1 . . . . 103 HIS CB . 7109 1 1203 . 1 1 103 103 HIS N N 15 115.838 0.30 . 1 . . . . 103 HIS N . 7109 1 1204 . 1 1 104 104 LEU H H 1 7.049 0.02 . 1 . . . . 104 LEU HN . 7109 1 1205 . 1 1 104 104 LEU HA H 1 4.233 0.02 . 1 . . . . 104 LEU HA . 7109 1 1206 . 1 1 104 104 LEU HB2 H 1 1.628 0.02 . 2 . . . . 104 LEU HB1 . 7109 1 1207 . 1 1 104 104 LEU HB3 H 1 1.686 0.02 . 2 . . . . 104 LEU HB2 . 7109 1 1208 . 1 1 104 104 LEU HG H 1 1.807 0.02 . 1 . . . . 104 LEU HG . 7109 1 1209 . 1 1 104 104 LEU HD21 H 1 0.874 0.02 . 2 . . . . 104 LEU HD2 . 7109 1 1210 . 1 1 104 104 LEU HD22 H 1 0.874 0.02 . 2 . . . . 104 LEU HD2 . 7109 1 1211 . 1 1 104 104 LEU HD23 H 1 0.874 0.02 . 2 . . . . 104 LEU HD2 . 7109 1 1212 . 1 1 104 104 LEU CA C 13 56.871 0.30 . 1 . . . . 104 LEU CA . 7109 1 1213 . 1 1 104 104 LEU CB C 13 43.742 0.30 . 1 . . . . 104 LEU CB . 7109 1 1214 . 1 1 104 104 LEU CG C 13 26.787 0.30 . 1 . . . . 104 LEU CG . 7109 1 1215 . 1 1 104 104 LEU CD1 C 13 26.288 0.30 . 1 . . . . 104 LEU CD1 . 7109 1 1216 . 1 1 104 104 LEU CD2 C 13 23.755 0.30 . 1 . . . . 104 LEU CD2 . 7109 1 1217 . 1 1 104 104 LEU N N 15 125.856 0.30 . 1 . . . . 104 LEU N . 7109 1 stop_ save_