data_18653 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18653 _Entry.Title ; Solution Structure of Bacterial Intein-Like domain from Clostridium thermocellum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-09 _Entry.Accession_date 2012-08-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 'A. Sesilja' Aranko . . . 18653 2 Jesper Oeemig . S. . 18653 3 Hideo Iwai . . . 18653 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18653 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bacterial Intein-Like' . 18653 BIL . 18653 CthBIL4 . 18653 HINT . 18653 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18653 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 607 18653 '15N chemical shifts' 139 18653 '1H chemical shifts' 991 18653 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-07-10 2012-08-09 update BMRB 'update entry citation' 18653 1 . . 2013-05-06 2012-08-09 original author 'original release' 18653 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LWY 'BMRB Entry Tracking System' 18653 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18653 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23621571 _Citation.Full_citation . _Citation.Title 'Structural basis for protein trans-splicing by a bacterial intein-like domain - protein ligation without nucleophilic side chains.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full 'The FEBS journal' _Citation.Journal_volume 280 _Citation.Journal_issue 14 _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 3256 _Citation.Page_last 3269 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'A. Sesilja' Aranko . . . 18653 1 2 Jesper Oeemig . S. . 18653 1 3 Hideo Iwai . . . 18653 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18653 _Assembly.ID 1 _Assembly.Name 'Bacterial Intein-Like domain from Clostridium thermocellum' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Bacterial Intein-Like domain from Clostridium thermocellum' 1 $CthBIL4 A . yes native no no . . . 18653 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CthBIL4 _Entity.Sf_category entity _Entity.Sf_framecode CthBIL4 _Entity.Entry_ID 18653 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CthBIL4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SMKAFVAGTMILTATGLVAI ENIKAGDKVIATNPETFEVA EKTVLETYVRETTELLHLTI GGEVIKTTFDHPFYVKDVGF VEAGKLQVGDKLLDSRGNVL VVEEKKLEIADKPVKVYNFK VDDFHTYHVGDNEVLVHN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'S-3, M-2, K-1, A1, F2, V3, A4, G5' _Entity.Polymer_author_seq_details 'S-3 is from tag cleavage' _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 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Bacterial Intein-Like domain' _Entity.Mutation C1A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15297.629 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI 23020817 . . . . . . . . . . . . . . . . 18653 1 2 no PDB 2LWY . "Solution Structure Of Bacterial Intein-like Domain From Clostridium Thermocellum" . . . . . 100.00 138 100.00 100.00 3.29e-91 . . . . 18653 1 3 no DBJ GAE90859 . "hypothetical protein JCM21531_4507 [[Clostridium] straminisolvens JCM 21531]" . . . . . 93.48 250 98.45 98.45 7.70e-81 . . . . 18653 1 4 no GB ABN53254 . "protein of unknown function DUF1557 [Ruminiclostridium thermocellum ATCC 27405]" . . . . . 100.00 566 98.55 99.28 1.15e-86 . . . . 18653 1 5 no GB EIC12360 . "hypothetical protein AD2_3035, partial [Ruminiclostridium thermocellum AD2]" . . . . . 50.00 93 97.10 98.55 1.18e-38 . . . . 18653 1 6 no REF WP_038291414 . "Hedgehog/intein hint domain-containing protein, partial [[Clostridium] straminisolvens]" . . . . . 94.20 251 98.46 98.46 1.79e-81 . . . . 18653 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 -3 SER . 18653 1 2 -2 MET . 18653 1 3 -1 LYS . 18653 1 4 1 ALA . 18653 1 5 2 PHE . 18653 1 6 3 VAL . 18653 1 7 4 ALA . 18653 1 8 5 GLY . 18653 1 9 6 THR . 18653 1 10 7 MET . 18653 1 11 8 ILE . 18653 1 12 9 LEU . 18653 1 13 10 THR . 18653 1 14 11 ALA . 18653 1 15 12 THR . 18653 1 16 13 GLY . 18653 1 17 14 LEU . 18653 1 18 15 VAL . 18653 1 19 16 ALA . 18653 1 20 17 ILE . 18653 1 21 18 GLU . 18653 1 22 19 ASN . 18653 1 23 20 ILE . 18653 1 24 21 LYS . 18653 1 25 22 ALA . 18653 1 26 23 GLY . 18653 1 27 24 ASP . 18653 1 28 25 LYS . 18653 1 29 26 VAL . 18653 1 30 27 ILE . 18653 1 31 28 ALA . 18653 1 32 29 THR . 18653 1 33 30 ASN . 18653 1 34 31 PRO . 18653 1 35 32 GLU . 18653 1 36 33 THR . 18653 1 37 34 PHE . 18653 1 38 35 GLU . 18653 1 39 36 VAL . 18653 1 40 37 ALA . 18653 1 41 38 GLU . 18653 1 42 39 LYS . 18653 1 43 40 THR . 18653 1 44 41 VAL . 18653 1 45 42 LEU . 18653 1 46 43 GLU . 18653 1 47 44 THR . 18653 1 48 45 TYR . 18653 1 49 46 VAL . 18653 1 50 47 ARG . 18653 1 51 48 GLU . 18653 1 52 49 THR . 18653 1 53 50 THR . 18653 1 54 51 GLU . 18653 1 55 52 LEU . 18653 1 56 53 LEU . 18653 1 57 54 HIS . 18653 1 58 55 LEU . 18653 1 59 56 THR . 18653 1 60 57 ILE . 18653 1 61 58 GLY . 18653 1 62 59 GLY . 18653 1 63 60 GLU . 18653 1 64 61 VAL . 18653 1 65 62 ILE . 18653 1 66 63 LYS . 18653 1 67 64 THR . 18653 1 68 65 THR . 18653 1 69 66 PHE . 18653 1 70 67 ASP . 18653 1 71 68 HIS . 18653 1 72 69 PRO . 18653 1 73 70 PHE . 18653 1 74 71 TYR . 18653 1 75 72 VAL . 18653 1 76 73 LYS . 18653 1 77 74 ASP . 18653 1 78 75 VAL . 18653 1 79 76 GLY . 18653 1 80 77 PHE . 18653 1 81 78 VAL . 18653 1 82 79 GLU . 18653 1 83 80 ALA . 18653 1 84 81 GLY . 18653 1 85 82 LYS . 18653 1 86 83 LEU . 18653 1 87 84 GLN . 18653 1 88 85 VAL . 18653 1 89 86 GLY . 18653 1 90 87 ASP . 18653 1 91 88 LYS . 18653 1 92 89 LEU . 18653 1 93 90 LEU . 18653 1 94 91 ASP . 18653 1 95 92 SER . 18653 1 96 93 ARG . 18653 1 97 94 GLY . 18653 1 98 95 ASN . 18653 1 99 96 VAL . 18653 1 100 97 LEU . 18653 1 101 98 VAL . 18653 1 102 99 VAL . 18653 1 103 100 GLU . 18653 1 104 101 GLU . 18653 1 105 102 LYS . 18653 1 106 103 LYS . 18653 1 107 104 LEU . 18653 1 108 105 GLU . 18653 1 109 106 ILE . 18653 1 110 107 ALA . 18653 1 111 108 ASP . 18653 1 112 109 LYS . 18653 1 113 110 PRO . 18653 1 114 111 VAL . 18653 1 115 112 LYS . 18653 1 116 113 VAL . 18653 1 117 114 TYR . 18653 1 118 115 ASN . 18653 1 119 116 PHE . 18653 1 120 117 LYS . 18653 1 121 118 VAL . 18653 1 122 119 ASP . 18653 1 123 120 ASP . 18653 1 124 121 PHE . 18653 1 125 122 HIS . 18653 1 126 123 THR . 18653 1 127 124 TYR . 18653 1 128 125 HIS . 18653 1 129 126 VAL . 18653 1 130 127 GLY . 18653 1 131 128 ASP . 18653 1 132 129 ASN . 18653 1 133 130 GLU . 18653 1 134 131 VAL . 18653 1 135 132 LEU . 18653 1 136 133 VAL . 18653 1 137 134 HIS . 18653 1 138 135 ASN . 18653 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 18653 1 . MET 2 2 18653 1 . LYS 3 3 18653 1 . ALA 4 4 18653 1 . PHE 5 5 18653 1 . VAL 6 6 18653 1 . ALA 7 7 18653 1 . GLY 8 8 18653 1 . THR 9 9 18653 1 . MET 10 10 18653 1 . ILE 11 11 18653 1 . LEU 12 12 18653 1 . THR 13 13 18653 1 . ALA 14 14 18653 1 . THR 15 15 18653 1 . GLY 16 16 18653 1 . LEU 17 17 18653 1 . VAL 18 18 18653 1 . ALA 19 19 18653 1 . ILE 20 20 18653 1 . GLU 21 21 18653 1 . ASN 22 22 18653 1 . ILE 23 23 18653 1 . LYS 24 24 18653 1 . ALA 25 25 18653 1 . GLY 26 26 18653 1 . ASP 27 27 18653 1 . LYS 28 28 18653 1 . VAL 29 29 18653 1 . ILE 30 30 18653 1 . ALA 31 31 18653 1 . THR 32 32 18653 1 . ASN 33 33 18653 1 . PRO 34 34 18653 1 . GLU 35 35 18653 1 . THR 36 36 18653 1 . PHE 37 37 18653 1 . GLU 38 38 18653 1 . VAL 39 39 18653 1 . ALA 40 40 18653 1 . GLU 41 41 18653 1 . LYS 42 42 18653 1 . THR 43 43 18653 1 . VAL 44 44 18653 1 . LEU 45 45 18653 1 . GLU 46 46 18653 1 . THR 47 47 18653 1 . TYR 48 48 18653 1 . VAL 49 49 18653 1 . ARG 50 50 18653 1 . GLU 51 51 18653 1 . THR 52 52 18653 1 . THR 53 53 18653 1 . GLU 54 54 18653 1 . LEU 55 55 18653 1 . LEU 56 56 18653 1 . HIS 57 57 18653 1 . LEU 58 58 18653 1 . THR 59 59 18653 1 . ILE 60 60 18653 1 . GLY 61 61 18653 1 . GLY 62 62 18653 1 . GLU 63 63 18653 1 . VAL 64 64 18653 1 . ILE 65 65 18653 1 . LYS 66 66 18653 1 . THR 67 67 18653 1 . THR 68 68 18653 1 . PHE 69 69 18653 1 . ASP 70 70 18653 1 . HIS 71 71 18653 1 . PRO 72 72 18653 1 . PHE 73 73 18653 1 . TYR 74 74 18653 1 . VAL 75 75 18653 1 . LYS 76 76 18653 1 . ASP 77 77 18653 1 . VAL 78 78 18653 1 . GLY 79 79 18653 1 . PHE 80 80 18653 1 . VAL 81 81 18653 1 . GLU 82 82 18653 1 . ALA 83 83 18653 1 . GLY 84 84 18653 1 . LYS 85 85 18653 1 . LEU 86 86 18653 1 . GLN 87 87 18653 1 . VAL 88 88 18653 1 . GLY 89 89 18653 1 . ASP 90 90 18653 1 . LYS 91 91 18653 1 . LEU 92 92 18653 1 . LEU 93 93 18653 1 . ASP 94 94 18653 1 . SER 95 95 18653 1 . ARG 96 96 18653 1 . GLY 97 97 18653 1 . ASN 98 98 18653 1 . VAL 99 99 18653 1 . LEU 100 100 18653 1 . VAL 101 101 18653 1 . VAL 102 102 18653 1 . GLU 103 103 18653 1 . GLU 104 104 18653 1 . LYS 105 105 18653 1 . LYS 106 106 18653 1 . LEU 107 107 18653 1 . GLU 108 108 18653 1 . ILE 109 109 18653 1 . ALA 110 110 18653 1 . ASP 111 111 18653 1 . LYS 112 112 18653 1 . PRO 113 113 18653 1 . VAL 114 114 18653 1 . LYS 115 115 18653 1 . VAL 116 116 18653 1 . TYR 117 117 18653 1 . ASN 118 118 18653 1 . PHE 119 119 18653 1 . LYS 120 120 18653 1 . VAL 121 121 18653 1 . ASP 122 122 18653 1 . ASP 123 123 18653 1 . PHE 124 124 18653 1 . HIS 125 125 18653 1 . THR 126 126 18653 1 . TYR 127 127 18653 1 . HIS 128 128 18653 1 . VAL 129 129 18653 1 . GLY 130 130 18653 1 . ASP 131 131 18653 1 . ASN 132 132 18653 1 . GLU 133 133 18653 1 . VAL 134 134 18653 1 . LEU 135 135 18653 1 . VAL 136 136 18653 1 . HIS 137 137 18653 1 . ASN 138 138 18653 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 18653 _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 $CthBIL4 . 1515 organism . 'Clostridium thermocellum' 'Clostridium thermocellum' . . Bacteria . Clostridium thermocellum . . . . . . . . . . . . . . . . . . . . . 18653 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 18653 _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 $CthBIL4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli ER2566 . . . . . . . . . . . . . . . pSCFRSF17 . . . . . . 18653 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18653 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CthBIL4 '[U-99% 13C; U-99% 15N]' . . 1 $CthBIL4 . . 1.2 . . mM . . . . 18653 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18653 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18653 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18653 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18653 _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 pH 6 . pH 18653 1 pressure 1 . atm 18653 1 temperature 298 . K 18653 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18653 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18653 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18653 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18653 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 18653 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18653 2 stop_ save_ save_CING _Software.Sf_category software _Software.Sf_framecode CING _Software.Entry_ID 18653 _Software.ID 3 _Software.Name CING _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Geerten W. Vuister' . . 18653 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure validation' 18653 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18653 _Software.ID 4 _Software.Name CYANA _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18653 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18653 4 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18653 _Software.ID 5 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18653 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18653 5 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 18653 _Software.ID 6 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18653 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18653 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18653 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18653 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18653 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18653 1 2 spectrometer_2 Varian INOVA . 800 . . . 18653 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18653 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18653 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18653 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18653 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18653 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18653 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18653 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18653 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18653 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18653 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18653 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18653 1 12 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18653 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18653 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18653 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18653 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18653 _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 carbon' . . . . ppm 0 na indirect 0.2514 . . . . . . . . . 18653 1 H 1 water protons . . . . ppm 4.75 internal direct 1 . . . . . . . . . 18653 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 117.8 na direct 1 . . . . . . . . . 18653 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18653 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18653 1 9 '3D HCCH-TOCSY' . . . 18653 1 10 '3D HCCH-COSY' . . . 18653 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 MET HA H 1 4.590 0.020 . 1 . . . A -2 MET HA . 18653 1 2 . 1 1 2 2 MET HB2 H 1 2.006 0.020 . 1 . . . A -2 MET HB2 . 18653 1 3 . 1 1 2 2 MET HB3 H 1 2.148 0.020 . 1 . . . A -2 MET HB3 . 18653 1 4 . 1 1 2 2 MET HG2 H 1 2.464 0.020 . 1 . . . A -2 MET HG2 . 18653 1 5 . 1 1 2 2 MET HG3 H 1 2.464 0.020 . 1 . . . A -2 MET HG3 . 18653 1 6 . 1 1 2 2 MET HE1 H 1 2.043 0.020 . 1 . . . A -2 MET HE1 . 18653 1 7 . 1 1 2 2 MET HE2 H 1 2.043 0.020 . 1 . . . A -2 MET HE2 . 18653 1 8 . 1 1 2 2 MET HE3 H 1 2.043 0.020 . 1 . . . A -2 MET HE3 . 18653 1 9 . 1 1 2 2 MET CA C 13 56.060 0.300 . 1 . . . A -2 MET CA . 18653 1 10 . 1 1 2 2 MET CB C 13 33.678 0.300 . 1 . . . A -2 MET CB . 18653 1 11 . 1 1 2 2 MET CG C 13 31.972 0.300 . 1 . . . A -2 MET CG . 18653 1 12 . 1 1 2 2 MET CE C 13 16.824 0.300 . 1 . . . A -2 MET CE . 18653 1 13 . 1 1 3 3 LYS HA H 1 3.993 0.020 . 1 . . . A -1 LYS HA . 18653 1 14 . 1 1 3 3 LYS HB2 H 1 1.681 0.020 . 1 . . . A -1 LYS HB2 . 18653 1 15 . 1 1 3 3 LYS HB3 H 1 1.620 0.020 . 1 . . . A -1 LYS HB3 . 18653 1 16 . 1 1 3 3 LYS HG2 H 1 1.104 0.020 . 1 . . . A -1 LYS HG2 . 18653 1 17 . 1 1 3 3 LYS HG3 H 1 0.941 0.020 . 1 . . . A -1 LYS HG3 . 18653 1 18 . 1 1 3 3 LYS HD2 H 1 1.272 0.020 . 1 . . . A -1 LYS HD2 . 18653 1 19 . 1 1 3 3 LYS HD3 H 1 1.280 0.020 . 1 . . . A -1 LYS HD3 . 18653 1 20 . 1 1 3 3 LYS HE2 H 1 2.835 0.020 . 1 . . . A -1 LYS HE2 . 18653 1 21 . 1 1 3 3 LYS HE3 H 1 2.738 0.020 . 1 . . . A -1 LYS HE3 . 18653 1 22 . 1 1 3 3 LYS C C 13 173.848 0.300 . 1 . . . A -1 LYS C . 18653 1 23 . 1 1 3 3 LYS CA C 13 57.777 0.300 . 1 . . . A -1 LYS CA . 18653 1 24 . 1 1 3 3 LYS CB C 13 31.842 0.300 . 1 . . . A -1 LYS CB . 18653 1 25 . 1 1 3 3 LYS CG C 13 24.454 0.300 . 1 . . . A -1 LYS CG . 18653 1 26 . 1 1 3 3 LYS CD C 13 29.673 0.300 . 1 . . . A -1 LYS CD . 18653 1 27 . 1 1 3 3 LYS CE C 13 41.247 0.300 . 1 . . . A -1 LYS CE . 18653 1 28 . 1 1 4 4 ALA H H 1 8.055 0.020 . 1 . . . A 1 ALA H . 18653 1 29 . 1 1 4 4 ALA HA H 1 4.573 0.020 . 1 . . . A 1 ALA HA . 18653 1 30 . 1 1 4 4 ALA HB1 H 1 1.172 0.020 . 1 . . . A 1 ALA HB1 . 18653 1 31 . 1 1 4 4 ALA HB2 H 1 1.172 0.020 . 1 . . . A 1 ALA HB2 . 18653 1 32 . 1 1 4 4 ALA HB3 H 1 1.172 0.020 . 1 . . . A 1 ALA HB3 . 18653 1 33 . 1 1 4 4 ALA C C 13 174.063 0.300 . 1 . . . A 1 ALA C . 18653 1 34 . 1 1 4 4 ALA CA C 13 52.069 0.300 . 1 . . . A 1 ALA CA . 18653 1 35 . 1 1 4 4 ALA CB C 13 23.298 0.300 . 1 . . . A 1 ALA CB . 18653 1 36 . 1 1 4 4 ALA N N 15 124.986 0.300 . 1 . . . A 1 ALA N . 18653 1 37 . 1 1 5 5 PHE H H 1 8.797 0.020 . 1 . . . A 2 PHE H . 18653 1 38 . 1 1 5 5 PHE HA H 1 5.206 0.020 . 1 . . . A 2 PHE HA . 18653 1 39 . 1 1 5 5 PHE HB2 H 1 2.845 0.020 . 1 . . . A 2 PHE HB2 . 18653 1 40 . 1 1 5 5 PHE HB3 H 1 3.860 0.020 . 1 . . . A 2 PHE HB3 . 18653 1 41 . 1 1 5 5 PHE HD1 H 1 7.278 0.020 . 1 . . . A 2 PHE HD1 . 18653 1 42 . 1 1 5 5 PHE HD2 H 1 7.278 0.020 . 1 . . . A 2 PHE HD2 . 18653 1 43 . 1 1 5 5 PHE C C 13 176.921 0.300 . 1 . . . A 2 PHE C . 18653 1 44 . 1 1 5 5 PHE CA C 13 57.741 0.300 . 1 . . . A 2 PHE CA . 18653 1 45 . 1 1 5 5 PHE CB C 13 44.417 0.300 . 1 . . . A 2 PHE CB . 18653 1 46 . 1 1 5 5 PHE CD1 C 13 132.163 0.300 . 1 . . . A 2 PHE CD1 . 18653 1 47 . 1 1 5 5 PHE CD2 C 13 132.163 0.300 . 1 . . . A 2 PHE CD2 . 18653 1 48 . 1 1 5 5 PHE N N 15 112.118 0.300 . 1 . . . A 2 PHE N . 18653 1 49 . 1 1 6 6 VAL H H 1 7.298 0.020 . 1 . . . A 3 VAL H . 18653 1 50 . 1 1 6 6 VAL HA H 1 4.657 0.020 . 1 . . . A 3 VAL HA . 18653 1 51 . 1 1 6 6 VAL HB H 1 2.563 0.020 . 1 . . . A 3 VAL HB . 18653 1 52 . 1 1 6 6 VAL HG11 H 1 1.067 0.020 . 1 . . . A 3 VAL HG11 . 18653 1 53 . 1 1 6 6 VAL HG12 H 1 1.067 0.020 . 1 . . . A 3 VAL HG12 . 18653 1 54 . 1 1 6 6 VAL HG13 H 1 1.067 0.020 . 1 . . . A 3 VAL HG13 . 18653 1 55 . 1 1 6 6 VAL HG21 H 1 1.164 0.020 . 1 . . . A 3 VAL HG21 . 18653 1 56 . 1 1 6 6 VAL HG22 H 1 1.164 0.020 . 1 . . . A 3 VAL HG22 . 18653 1 57 . 1 1 6 6 VAL HG23 H 1 1.164 0.020 . 1 . . . A 3 VAL HG23 . 18653 1 58 . 1 1 6 6 VAL C C 13 176.712 0.300 . 1 . . . A 3 VAL C . 18653 1 59 . 1 1 6 6 VAL CA C 13 62.009 0.300 . 1 . . . A 3 VAL CA . 18653 1 60 . 1 1 6 6 VAL CB C 13 33.703 0.300 . 1 . . . A 3 VAL CB . 18653 1 61 . 1 1 6 6 VAL CG1 C 13 22.874 0.300 . 1 . . . A 3 VAL CG1 . 18653 1 62 . 1 1 6 6 VAL CG2 C 13 20.438 0.300 . 1 . . . A 3 VAL CG2 . 18653 1 63 . 1 1 6 6 VAL N N 15 111.048 0.300 . 1 . . . A 3 VAL N . 18653 1 64 . 1 1 7 7 ALA H H 1 8.990 0.020 . 1 . . . A 4 ALA H . 18653 1 65 . 1 1 7 7 ALA HA H 1 4.063 0.020 . 1 . . . A 4 ALA HA . 18653 1 66 . 1 1 7 7 ALA HB1 H 1 1.406 0.020 . 1 . . . A 4 ALA HB1 . 18653 1 67 . 1 1 7 7 ALA HB2 H 1 1.406 0.020 . 1 . . . A 4 ALA HB2 . 18653 1 68 . 1 1 7 7 ALA HB3 H 1 1.406 0.020 . 1 . . . A 4 ALA HB3 . 18653 1 69 . 1 1 7 7 ALA C C 13 178.850 0.300 . 1 . . . A 4 ALA C . 18653 1 70 . 1 1 7 7 ALA CA C 13 53.424 0.300 . 1 . . . A 4 ALA CA . 18653 1 71 . 1 1 7 7 ALA CB C 13 18.608 0.300 . 1 . . . A 4 ALA CB . 18653 1 72 . 1 1 7 7 ALA N N 15 123.562 0.300 . 1 . . . A 4 ALA N . 18653 1 73 . 1 1 8 8 GLY H H 1 11.185 0.020 . 1 . . . A 5 GLY H . 18653 1 74 . 1 1 8 8 GLY HA2 H 1 3.550 0.020 . 1 . . . A 5 GLY HA2 . 18653 1 75 . 1 1 8 8 GLY HA3 H 1 4.235 0.020 . 1 . . . A 5 GLY HA3 . 18653 1 76 . 1 1 8 8 GLY C C 13 174.404 0.300 . 1 . . . A 5 GLY C . 18653 1 77 . 1 1 8 8 GLY CA C 13 44.870 0.300 . 1 . . . A 5 GLY CA . 18653 1 78 . 1 1 8 8 GLY N N 15 113.845 0.300 . 1 . . . A 5 GLY N . 18653 1 79 . 1 1 9 9 THR H H 1 7.605 0.020 . 1 . . . A 6 THR H . 18653 1 80 . 1 1 9 9 THR HA H 1 4.080 0.020 . 1 . . . A 6 THR HA . 18653 1 81 . 1 1 9 9 THR HB H 1 4.012 0.020 . 1 . . . A 6 THR HB . 18653 1 82 . 1 1 9 9 THR HG21 H 1 1.020 0.020 . 1 . . . A 6 THR HG21 . 18653 1 83 . 1 1 9 9 THR HG22 H 1 1.020 0.020 . 1 . . . A 6 THR HG22 . 18653 1 84 . 1 1 9 9 THR HG23 H 1 1.020 0.020 . 1 . . . A 6 THR HG23 . 18653 1 85 . 1 1 9 9 THR C C 13 173.996 0.300 . 1 . . . A 6 THR C . 18653 1 86 . 1 1 9 9 THR CA C 13 64.719 0.300 . 1 . . . A 6 THR CA . 18653 1 87 . 1 1 9 9 THR CB C 13 68.787 0.300 . 1 . . . A 6 THR CB . 18653 1 88 . 1 1 9 9 THR CG2 C 13 20.317 0.300 . 1 . . . A 6 THR CG2 . 18653 1 89 . 1 1 9 9 THR N N 15 118.112 0.300 . 1 . . . A 6 THR N . 18653 1 90 . 1 1 10 10 MET H H 1 8.903 0.020 . 1 . . . A 7 MET H . 18653 1 91 . 1 1 10 10 MET HA H 1 4.633 0.020 . 1 . . . A 7 MET HA . 18653 1 92 . 1 1 10 10 MET HB2 H 1 1.644 0.020 . 1 . . . A 7 MET HB2 . 18653 1 93 . 1 1 10 10 MET HB3 H 1 1.739 0.020 . 1 . . . A 7 MET HB3 . 18653 1 94 . 1 1 10 10 MET HG2 H 1 2.670 0.020 . 1 . . . A 7 MET HG2 . 18653 1 95 . 1 1 10 10 MET HG3 H 1 2.845 0.020 . 1 . . . A 7 MET HG3 . 18653 1 96 . 1 1 10 10 MET HE1 H 1 1.925 0.020 . 1 . . . A 7 MET HE1 . 18653 1 97 . 1 1 10 10 MET HE2 H 1 1.925 0.020 . 1 . . . A 7 MET HE2 . 18653 1 98 . 1 1 10 10 MET HE3 H 1 1.925 0.020 . 1 . . . A 7 MET HE3 . 18653 1 99 . 1 1 10 10 MET C C 13 174.860 0.300 . 1 . . . A 7 MET C . 18653 1 100 . 1 1 10 10 MET CA C 13 54.306 0.300 . 1 . . . A 7 MET CA . 18653 1 101 . 1 1 10 10 MET CB C 13 34.117 0.300 . 1 . . . A 7 MET CB . 18653 1 102 . 1 1 10 10 MET CG C 13 32.613 0.300 . 1 . . . A 7 MET CG . 18653 1 103 . 1 1 10 10 MET CE C 13 18.344 0.300 . 1 . . . A 7 MET CE . 18653 1 104 . 1 1 10 10 MET N N 15 127.839 0.300 . 1 . . . A 7 MET N . 18653 1 105 . 1 1 11 11 ILE H H 1 9.209 0.020 . 1 . . . A 8 ILE H . 18653 1 106 . 1 1 11 11 ILE HA H 1 5.056 0.020 . 1 . . . A 8 ILE HA . 18653 1 107 . 1 1 11 11 ILE HB H 1 2.124 0.020 . 1 . . . A 8 ILE HB . 18653 1 108 . 1 1 11 11 ILE HG12 H 1 1.075 0.020 . 1 . . . A 8 ILE HG12 . 18653 1 109 . 1 1 11 11 ILE HG13 H 1 1.847 0.020 . 1 . . . A 8 ILE HG13 . 18653 1 110 . 1 1 11 11 ILE HG21 H 1 0.979 0.020 . 1 . . . A 8 ILE HG21 . 18653 1 111 . 1 1 11 11 ILE HG22 H 1 0.979 0.020 . 1 . . . A 8 ILE HG22 . 18653 1 112 . 1 1 11 11 ILE HG23 H 1 0.979 0.020 . 1 . . . A 8 ILE HG23 . 18653 1 113 . 1 1 11 11 ILE HD11 H 1 0.784 0.020 . 1 . . . A 8 ILE HD11 . 18653 1 114 . 1 1 11 11 ILE HD12 H 1 0.784 0.020 . 1 . . . A 8 ILE HD12 . 18653 1 115 . 1 1 11 11 ILE HD13 H 1 0.784 0.020 . 1 . . . A 8 ILE HD13 . 18653 1 116 . 1 1 11 11 ILE C C 13 176.593 0.300 . 1 . . . A 8 ILE C . 18653 1 117 . 1 1 11 11 ILE CA C 13 56.701 0.300 . 1 . . . A 8 ILE CA . 18653 1 118 . 1 1 11 11 ILE CB C 13 38.058 0.300 . 1 . . . A 8 ILE CB . 18653 1 119 . 1 1 11 11 ILE CG1 C 13 26.731 0.300 . 1 . . . A 8 ILE CG1 . 18653 1 120 . 1 1 11 11 ILE CG2 C 13 18.279 0.300 . 1 . . . A 8 ILE CG2 . 18653 1 121 . 1 1 11 11 ILE CD1 C 13 10.637 0.300 . 1 . . . A 8 ILE CD1 . 18653 1 122 . 1 1 11 11 ILE N N 15 121.674 0.300 . 1 . . . A 8 ILE N . 18653 1 123 . 1 1 12 12 LEU H H 1 7.450 0.020 . 1 . . . A 9 LEU H . 18653 1 124 . 1 1 12 12 LEU HA H 1 4.335 0.020 . 1 . . . A 9 LEU HA . 18653 1 125 . 1 1 12 12 LEU HB2 H 1 2.181 0.020 . 1 . . . A 9 LEU HB2 . 18653 1 126 . 1 1 12 12 LEU HB3 H 1 1.697 0.020 . 1 . . . A 9 LEU HB3 . 18653 1 127 . 1 1 12 12 LEU HG H 1 1.202 0.020 . 1 . . . A 9 LEU HG . 18653 1 128 . 1 1 12 12 LEU HD11 H 1 0.797 0.020 . 1 . . . A 9 LEU HD11 . 18653 1 129 . 1 1 12 12 LEU HD12 H 1 0.797 0.020 . 1 . . . A 9 LEU HD12 . 18653 1 130 . 1 1 12 12 LEU HD13 H 1 0.797 0.020 . 1 . . . A 9 LEU HD13 . 18653 1 131 . 1 1 12 12 LEU HD21 H 1 0.548 0.020 . 1 . . . A 9 LEU HD21 . 18653 1 132 . 1 1 12 12 LEU HD22 H 1 0.548 0.020 . 1 . . . A 9 LEU HD22 . 18653 1 133 . 1 1 12 12 LEU HD23 H 1 0.548 0.020 . 1 . . . A 9 LEU HD23 . 18653 1 134 . 1 1 12 12 LEU C C 13 176.433 0.300 . 1 . . . A 9 LEU C . 18653 1 135 . 1 1 12 12 LEU CA C 13 56.924 0.300 . 1 . . . A 9 LEU CA . 18653 1 136 . 1 1 12 12 LEU CB C 13 42.602 0.300 . 1 . . . A 9 LEU CB . 18653 1 137 . 1 1 12 12 LEU CG C 13 26.692 0.300 . 1 . . . A 9 LEU CG . 18653 1 138 . 1 1 12 12 LEU CD1 C 13 22.393 0.300 . 1 . . . A 9 LEU CD1 . 18653 1 139 . 1 1 12 12 LEU CD2 C 13 25.855 0.300 . 1 . . . A 9 LEU CD2 . 18653 1 140 . 1 1 12 12 LEU N N 15 125.881 0.300 . 1 . . . A 9 LEU N . 18653 1 141 . 1 1 13 13 THR H H 1 7.955 0.020 . 1 . . . A 10 THR H . 18653 1 142 . 1 1 13 13 THR HA H 1 4.914 0.020 . 1 . . . A 10 THR HA . 18653 1 143 . 1 1 13 13 THR HB H 1 4.512 0.020 . 1 . . . A 10 THR HB . 18653 1 144 . 1 1 13 13 THR HG21 H 1 1.215 0.020 . 1 . . . A 10 THR HG21 . 18653 1 145 . 1 1 13 13 THR HG22 H 1 1.215 0.020 . 1 . . . A 10 THR HG22 . 18653 1 146 . 1 1 13 13 THR HG23 H 1 1.215 0.020 . 1 . . . A 10 THR HG23 . 18653 1 147 . 1 1 13 13 THR C C 13 174.693 0.300 . 1 . . . A 10 THR C . 18653 1 148 . 1 1 13 13 THR CA C 13 60.602 0.300 . 1 . . . A 10 THR CA . 18653 1 149 . 1 1 13 13 THR CB C 13 72.434 0.300 . 1 . . . A 10 THR CB . 18653 1 150 . 1 1 13 13 THR CG2 C 13 20.810 0.300 . 1 . . . A 10 THR CG2 . 18653 1 151 . 1 1 13 13 THR N N 15 120.194 0.300 . 1 . . . A 10 THR N . 18653 1 152 . 1 1 14 14 ALA H H 1 9.818 0.020 . 1 . . . A 11 ALA H . 18653 1 153 . 1 1 14 14 ALA HA H 1 4.064 0.020 . 1 . . . A 11 ALA HA . 18653 1 154 . 1 1 14 14 ALA HB1 H 1 1.365 0.020 . 1 . . . A 11 ALA HB1 . 18653 1 155 . 1 1 14 14 ALA HB2 H 1 1.365 0.020 . 1 . . . A 11 ALA HB2 . 18653 1 156 . 1 1 14 14 ALA HB3 H 1 1.365 0.020 . 1 . . . A 11 ALA HB3 . 18653 1 157 . 1 1 14 14 ALA C C 13 178.278 0.300 . 1 . . . A 11 ALA C . 18653 1 158 . 1 1 14 14 ALA CA C 13 54.498 0.300 . 1 . . . A 11 ALA CA . 18653 1 159 . 1 1 14 14 ALA CB C 13 19.069 0.300 . 1 . . . A 11 ALA CB . 18653 1 160 . 1 1 14 14 ALA N N 15 123.027 0.300 . 1 . . . A 11 ALA N . 18653 1 161 . 1 1 15 15 THR H H 1 7.875 0.020 . 1 . . . A 12 THR H . 18653 1 162 . 1 1 15 15 THR HA H 1 4.457 0.020 . 1 . . . A 12 THR HA . 18653 1 163 . 1 1 15 15 THR HB H 1 4.435 0.020 . 1 . . . A 12 THR HB . 18653 1 164 . 1 1 15 15 THR HG21 H 1 1.059 0.020 . 1 . . . A 12 THR HG21 . 18653 1 165 . 1 1 15 15 THR HG22 H 1 1.059 0.020 . 1 . . . A 12 THR HG22 . 18653 1 166 . 1 1 15 15 THR HG23 H 1 1.059 0.020 . 1 . . . A 12 THR HG23 . 18653 1 167 . 1 1 15 15 THR C C 13 173.688 0.300 . 1 . . . A 12 THR C . 18653 1 168 . 1 1 15 15 THR CA C 13 60.527 0.300 . 1 . . . A 12 THR CA . 18653 1 169 . 1 1 15 15 THR CB C 13 68.531 0.300 . 1 . . . A 12 THR CB . 18653 1 170 . 1 1 15 15 THR CG2 C 13 21.184 0.300 . 1 . . . A 12 THR CG2 . 18653 1 171 . 1 1 15 15 THR N N 15 105.051 0.300 . 1 . . . A 12 THR N . 18653 1 172 . 1 1 16 16 GLY H H 1 7.243 0.020 . 1 . . . A 13 GLY H . 18653 1 173 . 1 1 16 16 GLY HA2 H 1 3.718 0.020 . 1 . . . A 13 GLY HA2 . 18653 1 174 . 1 1 16 16 GLY HA3 H 1 4.588 0.020 . 1 . . . A 13 GLY HA3 . 18653 1 175 . 1 1 16 16 GLY C C 13 173.970 0.300 . 1 . . . A 13 GLY C . 18653 1 176 . 1 1 16 16 GLY CA C 13 43.687 0.300 . 1 . . . A 13 GLY CA . 18653 1 177 . 1 1 16 16 GLY N N 15 109.533 0.300 . 1 . . . A 13 GLY N . 18653 1 178 . 1 1 17 17 LEU H H 1 8.675 0.020 . 1 . . . A 14 LEU H . 18653 1 179 . 1 1 17 17 LEU HA H 1 4.994 0.020 . 1 . . . A 14 LEU HA . 18653 1 180 . 1 1 17 17 LEU HB2 H 1 1.674 0.020 . 1 . . . A 14 LEU HB2 . 18653 1 181 . 1 1 17 17 LEU HB3 H 1 1.258 0.020 . 1 . . . A 14 LEU HB3 . 18653 1 182 . 1 1 17 17 LEU HG H 1 1.667 0.020 . 1 . . . A 14 LEU HG . 18653 1 183 . 1 1 17 17 LEU HD11 H 1 0.775 0.020 . 1 . . . A 14 LEU HD11 . 18653 1 184 . 1 1 17 17 LEU HD12 H 1 0.775 0.020 . 1 . . . A 14 LEU HD12 . 18653 1 185 . 1 1 17 17 LEU HD13 H 1 0.775 0.020 . 1 . . . A 14 LEU HD13 . 18653 1 186 . 1 1 17 17 LEU HD21 H 1 0.942 0.020 . 1 . . . A 14 LEU HD21 . 18653 1 187 . 1 1 17 17 LEU HD22 H 1 0.942 0.020 . 1 . . . A 14 LEU HD22 . 18653 1 188 . 1 1 17 17 LEU HD23 H 1 0.942 0.020 . 1 . . . A 14 LEU HD23 . 18653 1 189 . 1 1 17 17 LEU C C 13 177.494 0.300 . 1 . . . A 14 LEU C . 18653 1 190 . 1 1 17 17 LEU CA C 13 54.913 0.300 . 1 . . . A 14 LEU CA . 18653 1 191 . 1 1 17 17 LEU CB C 13 42.709 0.300 . 1 . . . A 14 LEU CB . 18653 1 192 . 1 1 17 17 LEU CG C 13 27.223 0.300 . 1 . . . A 14 LEU CG . 18653 1 193 . 1 1 17 17 LEU CD1 C 13 23.274 0.300 . 1 . . . A 14 LEU CD1 . 18653 1 194 . 1 1 17 17 LEU CD2 C 13 25.937 0.300 . 1 . . . A 14 LEU CD2 . 18653 1 195 . 1 1 17 17 LEU N N 15 123.454 0.300 . 1 . . . A 14 LEU N . 18653 1 196 . 1 1 18 18 VAL H H 1 9.141 0.020 . 1 . . . A 15 VAL H . 18653 1 197 . 1 1 18 18 VAL HA H 1 4.102 0.020 . 1 . . . A 15 VAL HA . 18653 1 198 . 1 1 18 18 VAL HB H 1 1.606 0.020 . 1 . . . A 15 VAL HB . 18653 1 199 . 1 1 18 18 VAL HG11 H 1 0.814 0.020 . 1 . . . A 15 VAL HG11 . 18653 1 200 . 1 1 18 18 VAL HG12 H 1 0.814 0.020 . 1 . . . A 15 VAL HG12 . 18653 1 201 . 1 1 18 18 VAL HG13 H 1 0.814 0.020 . 1 . . . A 15 VAL HG13 . 18653 1 202 . 1 1 18 18 VAL HG21 H 1 0.721 0.020 . 1 . . . A 15 VAL HG21 . 18653 1 203 . 1 1 18 18 VAL HG22 H 1 0.721 0.020 . 1 . . . A 15 VAL HG22 . 18653 1 204 . 1 1 18 18 VAL HG23 H 1 0.721 0.020 . 1 . . . A 15 VAL HG23 . 18653 1 205 . 1 1 18 18 VAL C C 13 174.428 0.300 . 1 . . . A 15 VAL C . 18653 1 206 . 1 1 18 18 VAL CA C 13 60.819 0.300 . 1 . . . A 15 VAL CA . 18653 1 207 . 1 1 18 18 VAL CB C 13 36.259 0.300 . 1 . . . A 15 VAL CB . 18653 1 208 . 1 1 18 18 VAL CG1 C 13 20.651 0.300 . 1 . . . A 15 VAL CG1 . 18653 1 209 . 1 1 18 18 VAL CG2 C 13 21.826 0.300 . 1 . . . A 15 VAL CG2 . 18653 1 210 . 1 1 18 18 VAL N N 15 124.722 0.300 . 1 . . . A 15 VAL N . 18653 1 211 . 1 1 19 19 ALA H H 1 8.643 0.020 . 1 . . . A 16 ALA H . 18653 1 212 . 1 1 19 19 ALA HA H 1 4.200 0.020 . 1 . . . A 16 ALA HA . 18653 1 213 . 1 1 19 19 ALA HB1 H 1 1.231 0.020 . 1 . . . A 16 ALA HB1 . 18653 1 214 . 1 1 19 19 ALA HB2 H 1 1.231 0.020 . 1 . . . A 16 ALA HB2 . 18653 1 215 . 1 1 19 19 ALA HB3 H 1 1.231 0.020 . 1 . . . A 16 ALA HB3 . 18653 1 216 . 1 1 19 19 ALA C C 13 180.274 0.300 . 1 . . . A 16 ALA C . 18653 1 217 . 1 1 19 19 ALA CA C 13 53.293 0.300 . 1 . . . A 16 ALA CA . 18653 1 218 . 1 1 19 19 ALA CB C 13 18.278 0.300 . 1 . . . A 16 ALA CB . 18653 1 219 . 1 1 19 19 ALA N N 15 130.301 0.300 . 1 . . . A 16 ALA N . 18653 1 220 . 1 1 20 20 ILE H H 1 8.782 0.020 . 1 . . . A 17 ILE H . 18653 1 221 . 1 1 20 20 ILE HA H 1 3.703 0.020 . 1 . . . A 17 ILE HA . 18653 1 222 . 1 1 20 20 ILE HB H 1 1.908 0.020 . 1 . . . A 17 ILE HB . 18653 1 223 . 1 1 20 20 ILE HG12 H 1 1.160 0.020 . 1 . . . A 17 ILE HG12 . 18653 1 224 . 1 1 20 20 ILE HG13 H 1 1.586 0.020 . 1 . . . A 17 ILE HG13 . 18653 1 225 . 1 1 20 20 ILE HG21 H 1 1.028 0.020 . 1 . . . A 17 ILE HG21 . 18653 1 226 . 1 1 20 20 ILE HG22 H 1 1.028 0.020 . 1 . . . A 17 ILE HG22 . 18653 1 227 . 1 1 20 20 ILE HG23 H 1 1.028 0.020 . 1 . . . A 17 ILE HG23 . 18653 1 228 . 1 1 20 20 ILE HD11 H 1 1.165 0.020 . 1 . . . A 17 ILE HD11 . 18653 1 229 . 1 1 20 20 ILE HD12 H 1 1.165 0.020 . 1 . . . A 17 ILE HD12 . 18653 1 230 . 1 1 20 20 ILE HD13 H 1 1.165 0.020 . 1 . . . A 17 ILE HD13 . 18653 1 231 . 1 1 20 20 ILE C C 13 175.538 0.300 . 1 . . . A 17 ILE C . 18653 1 232 . 1 1 20 20 ILE CA C 13 65.577 0.300 . 1 . . . A 17 ILE CA . 18653 1 233 . 1 1 20 20 ILE CB C 13 37.950 0.300 . 1 . . . A 17 ILE CB . 18653 1 234 . 1 1 20 20 ILE CG1 C 13 28.890 0.300 . 1 . . . A 17 ILE CG1 . 18653 1 235 . 1 1 20 20 ILE CG2 C 13 16.482 0.300 . 1 . . . A 17 ILE CG2 . 18653 1 236 . 1 1 20 20 ILE CD1 C 13 16.332 0.300 . 1 . . . A 17 ILE CD1 . 18653 1 237 . 1 1 20 20 ILE N N 15 121.933 0.300 . 1 . . . A 17 ILE N . 18653 1 238 . 1 1 21 21 GLU H H 1 10.460 0.020 . 1 . . . A 18 GLU H . 18653 1 239 . 1 1 21 21 GLU HA H 1 3.542 0.020 . 1 . . . A 18 GLU HA . 18653 1 240 . 1 1 21 21 GLU HB2 H 1 1.542 0.020 . 1 . . . A 18 GLU HB2 . 18653 1 241 . 1 1 21 21 GLU HB3 H 1 0.739 0.020 . 1 . . . A 18 GLU HB3 . 18653 1 242 . 1 1 21 21 GLU HG2 H 1 2.123 0.020 . 1 . . . A 18 GLU HG2 . 18653 1 243 . 1 1 21 21 GLU HG3 H 1 1.723 0.020 . 1 . . . A 18 GLU HG3 . 18653 1 244 . 1 1 21 21 GLU C C 13 176.312 0.300 . 1 . . . A 18 GLU C . 18653 1 245 . 1 1 21 21 GLU CA C 13 57.971 0.300 . 1 . . . A 18 GLU CA . 18653 1 246 . 1 1 21 21 GLU CB C 13 26.596 0.300 . 1 . . . A 18 GLU CB . 18653 1 247 . 1 1 21 21 GLU CG C 13 34.358 0.300 . 1 . . . A 18 GLU CG . 18653 1 248 . 1 1 21 21 GLU N N 15 123.779 0.300 . 1 . . . A 18 GLU N . 18653 1 249 . 1 1 22 22 ASN H H 1 8.376 0.020 . 1 . . . A 19 ASN H . 18653 1 250 . 1 1 22 22 ASN HA H 1 4.670 0.020 . 1 . . . A 19 ASN HA . 18653 1 251 . 1 1 22 22 ASN HB2 H 1 2.835 0.020 . 1 . . . A 19 ASN HB2 . 18653 1 252 . 1 1 22 22 ASN HB3 H 1 2.672 0.020 . 1 . . . A 19 ASN HB3 . 18653 1 253 . 1 1 22 22 ASN HD21 H 1 6.944 0.020 . 1 . . . A 19 ASN HD21 . 18653 1 254 . 1 1 22 22 ASN HD22 H 1 7.148 0.020 . 1 . . . A 19 ASN HD22 . 18653 1 255 . 1 1 22 22 ASN C C 13 175.215 0.300 . 1 . . . A 19 ASN C . 18653 1 256 . 1 1 22 22 ASN CA C 13 52.766 0.300 . 1 . . . A 19 ASN CA . 18653 1 257 . 1 1 22 22 ASN CB C 13 39.131 0.300 . 1 . . . A 19 ASN CB . 18653 1 258 . 1 1 22 22 ASN N N 15 119.585 0.300 . 1 . . . A 19 ASN N . 18653 1 259 . 1 1 22 22 ASN ND2 N 15 112.275 0.300 . 1 . . . A 19 ASN ND2 . 18653 1 260 . 1 1 23 23 ILE H H 1 7.189 0.020 . 1 . . . A 20 ILE H . 18653 1 261 . 1 1 23 23 ILE HA H 1 3.810 0.020 . 1 . . . A 20 ILE HA . 18653 1 262 . 1 1 23 23 ILE HB H 1 1.763 0.020 . 1 . . . A 20 ILE HB . 18653 1 263 . 1 1 23 23 ILE HG12 H 1 0.787 0.020 . 1 . . . A 20 ILE HG12 . 18653 1 264 . 1 1 23 23 ILE HG13 H 1 1.205 0.020 . 1 . . . A 20 ILE HG13 . 18653 1 265 . 1 1 23 23 ILE HG21 H 1 -0.194 0.020 . 1 . . . A 20 ILE HG21 . 18653 1 266 . 1 1 23 23 ILE HG22 H 1 -0.194 0.020 . 1 . . . A 20 ILE HG22 . 18653 1 267 . 1 1 23 23 ILE HG23 H 1 -0.194 0.020 . 1 . . . A 20 ILE HG23 . 18653 1 268 . 1 1 23 23 ILE HD11 H 1 0.198 0.020 . 1 . . . A 20 ILE HD11 . 18653 1 269 . 1 1 23 23 ILE HD12 H 1 0.198 0.020 . 1 . . . A 20 ILE HD12 . 18653 1 270 . 1 1 23 23 ILE HD13 H 1 0.198 0.020 . 1 . . . A 20 ILE HD13 . 18653 1 271 . 1 1 23 23 ILE C C 13 175.355 0.300 . 1 . . . A 20 ILE C . 18653 1 272 . 1 1 23 23 ILE CA C 13 59.620 0.300 . 1 . . . A 20 ILE CA . 18653 1 273 . 1 1 23 23 ILE CB C 13 34.841 0.300 . 1 . . . A 20 ILE CB . 18653 1 274 . 1 1 23 23 ILE CG1 C 13 26.726 0.300 . 1 . . . A 20 ILE CG1 . 18653 1 275 . 1 1 23 23 ILE CG2 C 13 17.161 0.300 . 1 . . . A 20 ILE CG2 . 18653 1 276 . 1 1 23 23 ILE CD1 C 13 8.721 0.300 . 1 . . . A 20 ILE CD1 . 18653 1 277 . 1 1 23 23 ILE N N 15 123.548 0.300 . 1 . . . A 20 ILE N . 18653 1 278 . 1 1 24 24 LYS H H 1 8.804 0.020 . 1 . . . A 21 LYS H . 18653 1 279 . 1 1 24 24 LYS HA H 1 4.540 0.020 . 1 . . . A 21 LYS HA . 18653 1 280 . 1 1 24 24 LYS HB2 H 1 1.584 0.020 . 1 . . . A 21 LYS HB2 . 18653 1 281 . 1 1 24 24 LYS HB3 H 1 1.585 0.020 . 1 . . . A 21 LYS HB3 . 18653 1 282 . 1 1 24 24 LYS HG2 H 1 1.249 0.020 . 1 . . . A 21 LYS HG2 . 18653 1 283 . 1 1 24 24 LYS HG3 H 1 1.355 0.020 . 1 . . . A 21 LYS HG3 . 18653 1 284 . 1 1 24 24 LYS HD2 H 1 1.611 0.020 . 1 . . . A 21 LYS HD2 . 18653 1 285 . 1 1 24 24 LYS HD3 H 1 1.611 0.020 . 1 . . . A 21 LYS HD3 . 18653 1 286 . 1 1 24 24 LYS HE2 H 1 2.982 0.020 . 1 . . . A 21 LYS HE2 . 18653 1 287 . 1 1 24 24 LYS HE3 H 1 2.982 0.020 . 1 . . . A 21 LYS HE3 . 18653 1 288 . 1 1 24 24 LYS C C 13 175.284 0.300 . 1 . . . A 21 LYS C . 18653 1 289 . 1 1 24 24 LYS CA C 13 53.748 0.300 . 1 . . . A 21 LYS CA . 18653 1 290 . 1 1 24 24 LYS CB C 13 35.409 0.300 . 1 . . . A 21 LYS CB . 18653 1 291 . 1 1 24 24 LYS CG C 13 23.268 0.300 . 1 . . . A 21 LYS CG . 18653 1 292 . 1 1 24 24 LYS CD C 13 28.619 0.300 . 1 . . . A 21 LYS CD . 18653 1 293 . 1 1 24 24 LYS CE C 13 41.831 0.300 . 1 . . . A 21 LYS CE . 18653 1 294 . 1 1 24 24 LYS N N 15 129.166 0.300 . 1 . . . A 21 LYS N . 18653 1 295 . 1 1 25 25 ALA H H 1 8.546 0.020 . 1 . . . A 22 ALA H . 18653 1 296 . 1 1 25 25 ALA HA H 1 3.683 0.020 . 1 . . . A 22 ALA HA . 18653 1 297 . 1 1 25 25 ALA HB1 H 1 1.194 0.020 . 1 . . . A 22 ALA HB1 . 18653 1 298 . 1 1 25 25 ALA HB2 H 1 1.194 0.020 . 1 . . . A 22 ALA HB2 . 18653 1 299 . 1 1 25 25 ALA HB3 H 1 1.194 0.020 . 1 . . . A 22 ALA HB3 . 18653 1 300 . 1 1 25 25 ALA C C 13 178.497 0.300 . 1 . . . A 22 ALA C . 18653 1 301 . 1 1 25 25 ALA CA C 13 53.468 0.300 . 1 . . . A 22 ALA CA . 18653 1 302 . 1 1 25 25 ALA CB C 13 17.422 0.300 . 1 . . . A 22 ALA CB . 18653 1 303 . 1 1 25 25 ALA N N 15 122.662 0.300 . 1 . . . A 22 ALA N . 18653 1 304 . 1 1 26 26 GLY H H 1 9.153 0.020 . 1 . . . A 23 GLY H . 18653 1 305 . 1 1 26 26 GLY HA2 H 1 3.400 0.020 . 1 . . . A 23 GLY HA2 . 18653 1 306 . 1 1 26 26 GLY HA3 H 1 4.476 0.020 . 1 . . . A 23 GLY HA3 . 18653 1 307 . 1 1 26 26 GLY C C 13 174.995 0.300 . 1 . . . A 23 GLY C . 18653 1 308 . 1 1 26 26 GLY CA C 13 44.981 0.300 . 1 . . . A 23 GLY CA . 18653 1 309 . 1 1 26 26 GLY N N 15 113.182 0.300 . 1 . . . A 23 GLY N . 18653 1 310 . 1 1 27 27 ASP H H 1 7.967 0.020 . 1 . . . A 24 ASP H . 18653 1 311 . 1 1 27 27 ASP HA H 1 4.580 0.020 . 1 . . . A 24 ASP HA . 18653 1 312 . 1 1 27 27 ASP HB2 H 1 2.750 0.020 . 1 . . . A 24 ASP HB2 . 18653 1 313 . 1 1 27 27 ASP HB3 H 1 2.485 0.020 . 1 . . . A 24 ASP HB3 . 18653 1 314 . 1 1 27 27 ASP C C 13 174.302 0.300 . 1 . . . A 24 ASP C . 18653 1 315 . 1 1 27 27 ASP CA C 13 54.980 0.300 . 1 . . . A 24 ASP CA . 18653 1 316 . 1 1 27 27 ASP CB C 13 41.069 0.300 . 1 . . . A 24 ASP CB . 18653 1 317 . 1 1 27 27 ASP N N 15 121.855 0.300 . 1 . . . A 24 ASP N . 18653 1 318 . 1 1 28 28 LYS H H 1 8.151 0.020 . 1 . . . A 25 LYS H . 18653 1 319 . 1 1 28 28 LYS HA H 1 5.224 0.020 . 1 . . . A 25 LYS HA . 18653 1 320 . 1 1 28 28 LYS HB2 H 1 1.465 0.020 . 1 . . . A 25 LYS HB2 . 18653 1 321 . 1 1 28 28 LYS HB3 H 1 1.645 0.020 . 1 . . . A 25 LYS HB3 . 18653 1 322 . 1 1 28 28 LYS HG2 H 1 1.419 0.020 . 1 . . . A 25 LYS HG2 . 18653 1 323 . 1 1 28 28 LYS HG3 H 1 1.208 0.020 . 1 . . . A 25 LYS HG3 . 18653 1 324 . 1 1 28 28 LYS HD2 H 1 1.445 0.020 . 1 . . . A 25 LYS HD2 . 18653 1 325 . 1 1 28 28 LYS HD3 H 1 1.445 0.020 . 1 . . . A 25 LYS HD3 . 18653 1 326 . 1 1 28 28 LYS HE2 H 1 2.868 0.020 . 1 . . . A 25 LYS HE2 . 18653 1 327 . 1 1 28 28 LYS HE3 H 1 2.868 0.020 . 1 . . . A 25 LYS HE3 . 18653 1 328 . 1 1 28 28 LYS C C 13 177.557 0.300 . 1 . . . A 25 LYS C . 18653 1 329 . 1 1 28 28 LYS CA C 13 54.902 0.300 . 1 . . . A 25 LYS CA . 18653 1 330 . 1 1 28 28 LYS CB C 13 34.978 0.300 . 1 . . . A 25 LYS CB . 18653 1 331 . 1 1 28 28 LYS CG C 13 25.205 0.300 . 1 . . . A 25 LYS CG . 18653 1 332 . 1 1 28 28 LYS CD C 13 29.296 0.300 . 1 . . . A 25 LYS CD . 18653 1 333 . 1 1 28 28 LYS CE C 13 42.144 0.300 . 1 . . . A 25 LYS CE . 18653 1 334 . 1 1 28 28 LYS N N 15 116.065 0.300 . 1 . . . A 25 LYS N . 18653 1 335 . 1 1 29 29 VAL H H 1 8.973 0.020 . 1 . . . A 26 VAL H . 18653 1 336 . 1 1 29 29 VAL HA H 1 4.734 0.020 . 1 . . . A 26 VAL HA . 18653 1 337 . 1 1 29 29 VAL HB H 1 2.580 0.020 . 1 . . . A 26 VAL HB . 18653 1 338 . 1 1 29 29 VAL HG11 H 1 0.558 0.020 . 1 . . . A 26 VAL HG11 . 18653 1 339 . 1 1 29 29 VAL HG12 H 1 0.558 0.020 . 1 . . . A 26 VAL HG12 . 18653 1 340 . 1 1 29 29 VAL HG13 H 1 0.558 0.020 . 1 . . . A 26 VAL HG13 . 18653 1 341 . 1 1 29 29 VAL HG21 H 1 0.896 0.020 . 1 . . . A 26 VAL HG21 . 18653 1 342 . 1 1 29 29 VAL HG22 H 1 0.896 0.020 . 1 . . . A 26 VAL HG22 . 18653 1 343 . 1 1 29 29 VAL HG23 H 1 0.896 0.020 . 1 . . . A 26 VAL HG23 . 18653 1 344 . 1 1 29 29 VAL C C 13 174.310 0.300 . 1 . . . A 26 VAL C . 18653 1 345 . 1 1 29 29 VAL CA C 13 58.634 0.300 . 1 . . . A 26 VAL CA . 18653 1 346 . 1 1 29 29 VAL CB C 13 34.552 0.300 . 1 . . . A 26 VAL CB . 18653 1 347 . 1 1 29 29 VAL CG1 C 13 21.428 0.300 . 1 . . . A 26 VAL CG1 . 18653 1 348 . 1 1 29 29 VAL CG2 C 13 18.603 0.300 . 1 . . . A 26 VAL CG2 . 18653 1 349 . 1 1 29 29 VAL N N 15 115.247 0.300 . 1 . . . A 26 VAL N . 18653 1 350 . 1 1 30 30 ILE H H 1 7.542 0.020 . 1 . . . A 27 ILE H . 18653 1 351 . 1 1 30 30 ILE HA H 1 4.255 0.020 . 1 . . . A 27 ILE HA . 18653 1 352 . 1 1 30 30 ILE HB H 1 1.573 0.020 . 1 . . . A 27 ILE HB . 18653 1 353 . 1 1 30 30 ILE HG12 H 1 1.064 0.020 . 1 . . . A 27 ILE HG12 . 18653 1 354 . 1 1 30 30 ILE HG13 H 1 1.191 0.020 . 1 . . . A 27 ILE HG13 . 18653 1 355 . 1 1 30 30 ILE HG21 H 1 0.648 0.020 . 1 . . . A 27 ILE HG21 . 18653 1 356 . 1 1 30 30 ILE HG22 H 1 0.648 0.020 . 1 . . . A 27 ILE HG22 . 18653 1 357 . 1 1 30 30 ILE HG23 H 1 0.648 0.020 . 1 . . . A 27 ILE HG23 . 18653 1 358 . 1 1 30 30 ILE HD11 H 1 0.553 0.020 . 1 . . . A 27 ILE HD11 . 18653 1 359 . 1 1 30 30 ILE HD12 H 1 0.553 0.020 . 1 . . . A 27 ILE HD12 . 18653 1 360 . 1 1 30 30 ILE HD13 H 1 0.553 0.020 . 1 . . . A 27 ILE HD13 . 18653 1 361 . 1 1 30 30 ILE C C 13 173.577 0.300 . 1 . . . A 27 ILE C . 18653 1 362 . 1 1 30 30 ILE CA C 13 59.751 0.300 . 1 . . . A 27 ILE CA . 18653 1 363 . 1 1 30 30 ILE CB C 13 35.299 0.300 . 1 . . . A 27 ILE CB . 18653 1 364 . 1 1 30 30 ILE CG1 C 13 27.009 0.300 . 1 . . . A 27 ILE CG1 . 18653 1 365 . 1 1 30 30 ILE CG2 C 13 17.486 0.300 . 1 . . . A 27 ILE CG2 . 18653 1 366 . 1 1 30 30 ILE CD1 C 13 9.274 0.300 . 1 . . . A 27 ILE CD1 . 18653 1 367 . 1 1 30 30 ILE N N 15 119.280 0.300 . 1 . . . A 27 ILE N . 18653 1 368 . 1 1 31 31 ALA H H 1 9.121 0.020 . 1 . . . A 28 ALA H . 18653 1 369 . 1 1 31 31 ALA HA H 1 4.892 0.020 . 1 . . . A 28 ALA HA . 18653 1 370 . 1 1 31 31 ALA HB1 H 1 1.558 0.020 . 1 . . . A 28 ALA HB1 . 18653 1 371 . 1 1 31 31 ALA HB2 H 1 1.558 0.020 . 1 . . . A 28 ALA HB2 . 18653 1 372 . 1 1 31 31 ALA HB3 H 1 1.558 0.020 . 1 . . . A 28 ALA HB3 . 18653 1 373 . 1 1 31 31 ALA C C 13 174.752 0.300 . 1 . . . A 28 ALA C . 18653 1 374 . 1 1 31 31 ALA CA C 13 50.901 0.300 . 1 . . . A 28 ALA CA . 18653 1 375 . 1 1 31 31 ALA CB C 13 24.612 0.300 . 1 . . . A 28 ALA CB . 18653 1 376 . 1 1 31 31 ALA N N 15 131.344 0.300 . 1 . . . A 28 ALA N . 18653 1 377 . 1 1 32 32 THR H H 1 6.949 0.020 . 1 . . . A 29 THR H . 18653 1 378 . 1 1 32 32 THR HA H 1 5.058 0.020 . 1 . . . A 29 THR HA . 18653 1 379 . 1 1 32 32 THR HB H 1 3.655 0.020 . 1 . . . A 29 THR HB . 18653 1 380 . 1 1 32 32 THR HG21 H 1 0.605 0.020 . 1 . . . A 29 THR HG21 . 18653 1 381 . 1 1 32 32 THR HG22 H 1 0.605 0.020 . 1 . . . A 29 THR HG22 . 18653 1 382 . 1 1 32 32 THR HG23 H 1 0.605 0.020 . 1 . . . A 29 THR HG23 . 18653 1 383 . 1 1 32 32 THR C C 13 174.545 0.300 . 1 . . . A 29 THR C . 18653 1 384 . 1 1 32 32 THR CA C 13 61.234 0.300 . 1 . . . A 29 THR CA . 18653 1 385 . 1 1 32 32 THR CB C 13 70.450 0.300 . 1 . . . A 29 THR CB . 18653 1 386 . 1 1 32 32 THR CG2 C 13 20.780 0.300 . 1 . . . A 29 THR CG2 . 18653 1 387 . 1 1 32 32 THR N N 15 115.120 0.300 . 1 . . . A 29 THR N . 18653 1 388 . 1 1 33 33 ASN H H 1 8.714 0.020 . 1 . . . A 30 ASN H . 18653 1 389 . 1 1 33 33 ASN HA H 1 3.637 0.020 . 1 . . . A 30 ASN HA . 18653 1 390 . 1 1 33 33 ASN HB2 H 1 2.501 0.020 . 1 . . . A 30 ASN HB2 . 18653 1 391 . 1 1 33 33 ASN HB3 H 1 0.536 0.020 . 1 . . . A 30 ASN HB3 . 18653 1 392 . 1 1 33 33 ASN HD21 H 1 7.477 0.020 . 1 . . . A 30 ASN HD21 . 18653 1 393 . 1 1 33 33 ASN HD22 H 1 6.404 0.020 . 1 . . . A 30 ASN HD22 . 18653 1 394 . 1 1 33 33 ASN C C 13 173.811 0.300 . 1 . . . A 30 ASN C . 18653 1 395 . 1 1 33 33 ASN CA C 13 50.190 0.300 . 1 . . . A 30 ASN CA . 18653 1 396 . 1 1 33 33 ASN CB C 13 38.014 0.300 . 1 . . . A 30 ASN CB . 18653 1 397 . 1 1 33 33 ASN N N 15 129.884 0.300 . 1 . . . A 30 ASN N . 18653 1 398 . 1 1 33 33 ASN ND2 N 15 115.944 0.300 . 1 . . . A 30 ASN ND2 . 18653 1 399 . 1 1 34 34 PRO HA H 1 3.440 0.020 . 1 . . . A 31 PRO HA . 18653 1 400 . 1 1 34 34 PRO HB2 H 1 1.767 0.020 . 1 . . . A 31 PRO HB2 . 18653 1 401 . 1 1 34 34 PRO HB3 H 1 2.130 0.020 . 1 . . . A 31 PRO HB3 . 18653 1 402 . 1 1 34 34 PRO HG2 H 1 2.020 0.020 . 1 . . . A 31 PRO HG2 . 18653 1 403 . 1 1 34 34 PRO HG3 H 1 2.151 0.020 . 1 . . . A 31 PRO HG3 . 18653 1 404 . 1 1 34 34 PRO HD2 H 1 4.100 0.020 . 1 . . . A 31 PRO HD2 . 18653 1 405 . 1 1 34 34 PRO HD3 H 1 3.677 0.020 . 1 . . . A 31 PRO HD3 . 18653 1 406 . 1 1 34 34 PRO C C 13 174.227 0.300 . 1 . . . A 31 PRO C . 18653 1 407 . 1 1 34 34 PRO CA C 13 63.718 0.300 . 1 . . . A 31 PRO CA . 18653 1 408 . 1 1 34 34 PRO CB C 13 31.617 0.300 . 1 . . . A 31 PRO CB . 18653 1 409 . 1 1 34 34 PRO CG C 13 27.556 0.300 . 1 . . . A 31 PRO CG . 18653 1 410 . 1 1 34 34 PRO CD C 13 49.837 0.300 . 1 . . . A 31 PRO CD . 18653 1 411 . 1 1 35 35 GLU H H 1 7.922 0.020 . 1 . . . A 32 GLU H . 18653 1 412 . 1 1 35 35 GLU HA H 1 4.214 0.020 . 1 . . . A 32 GLU HA . 18653 1 413 . 1 1 35 35 GLU HB2 H 1 1.936 0.020 . 1 . . . A 32 GLU HB2 . 18653 1 414 . 1 1 35 35 GLU HB3 H 1 1.966 0.020 . 1 . . . A 32 GLU HB3 . 18653 1 415 . 1 1 35 35 GLU HG2 H 1 2.146 0.020 . 1 . . . A 32 GLU HG2 . 18653 1 416 . 1 1 35 35 GLU HG3 H 1 2.254 0.020 . 1 . . . A 32 GLU HG3 . 18653 1 417 . 1 1 35 35 GLU C C 13 177.341 0.300 . 1 . . . A 32 GLU C . 18653 1 418 . 1 1 35 35 GLU CA C 13 57.683 0.300 . 1 . . . A 32 GLU CA . 18653 1 419 . 1 1 35 35 GLU CB C 13 30.722 0.300 . 1 . . . A 32 GLU CB . 18653 1 420 . 1 1 35 35 GLU CG C 13 36.605 0.300 . 1 . . . A 32 GLU CG . 18653 1 421 . 1 1 35 35 GLU N N 15 115.413 0.300 . 1 . . . A 32 GLU N . 18653 1 422 . 1 1 36 36 THR H H 1 6.758 0.020 . 1 . . . A 33 THR H . 18653 1 423 . 1 1 36 36 THR HA H 1 4.298 0.020 . 1 . . . A 33 THR HA . 18653 1 424 . 1 1 36 36 THR HB H 1 4.303 0.020 . 1 . . . A 33 THR HB . 18653 1 425 . 1 1 36 36 THR HG21 H 1 1.022 0.020 . 1 . . . A 33 THR HG21 . 18653 1 426 . 1 1 36 36 THR HG22 H 1 1.022 0.020 . 1 . . . A 33 THR HG22 . 18653 1 427 . 1 1 36 36 THR HG23 H 1 1.022 0.020 . 1 . . . A 33 THR HG23 . 18653 1 428 . 1 1 36 36 THR C C 13 175.327 0.300 . 1 . . . A 33 THR C . 18653 1 429 . 1 1 36 36 THR CA C 13 61.096 0.300 . 1 . . . A 33 THR CA . 18653 1 430 . 1 1 36 36 THR CB C 13 70.626 0.300 . 1 . . . A 33 THR CB . 18653 1 431 . 1 1 36 36 THR CG2 C 13 21.288 0.300 . 1 . . . A 33 THR CG2 . 18653 1 432 . 1 1 36 36 THR N N 15 105.462 0.300 . 1 . . . A 33 THR N . 18653 1 433 . 1 1 37 37 PHE H H 1 8.274 0.020 . 1 . . . A 34 PHE H . 18653 1 434 . 1 1 37 37 PHE HA H 1 3.590 0.020 . 1 . . . A 34 PHE HA . 18653 1 435 . 1 1 37 37 PHE HB2 H 1 2.984 0.020 . 1 . . . A 34 PHE HB2 . 18653 1 436 . 1 1 37 37 PHE HB3 H 1 3.269 0.020 . 1 . . . A 34 PHE HB3 . 18653 1 437 . 1 1 37 37 PHE HD1 H 1 6.804 0.020 . 1 . . . A 34 PHE HD1 . 18653 1 438 . 1 1 37 37 PHE HD2 H 1 6.804 0.020 . 1 . . . A 34 PHE HD2 . 18653 1 439 . 1 1 37 37 PHE C C 13 174.357 0.300 . 1 . . . A 34 PHE C . 18653 1 440 . 1 1 37 37 PHE CA C 13 61.314 0.300 . 1 . . . A 34 PHE CA . 18653 1 441 . 1 1 37 37 PHE CB C 13 35.126 0.300 . 1 . . . A 34 PHE CB . 18653 1 442 . 1 1 37 37 PHE CD1 C 13 131.253 0.300 . 1 . . . A 34 PHE CD1 . 18653 1 443 . 1 1 37 37 PHE CD2 C 13 131.253 0.300 . 1 . . . A 34 PHE CD2 . 18653 1 444 . 1 1 37 37 PHE N N 15 117.682 0.300 . 1 . . . A 34 PHE N . 18653 1 445 . 1 1 38 38 GLU H H 1 7.464 0.020 . 1 . . . A 35 GLU H . 18653 1 446 . 1 1 38 38 GLU HA H 1 4.218 0.020 . 1 . . . A 35 GLU HA . 18653 1 447 . 1 1 38 38 GLU HB2 H 1 1.807 0.020 . 1 . . . A 35 GLU HB2 . 18653 1 448 . 1 1 38 38 GLU HB3 H 1 1.807 0.020 . 1 . . . A 35 GLU HB3 . 18653 1 449 . 1 1 38 38 GLU HG2 H 1 2.314 0.020 . 1 . . . A 35 GLU HG2 . 18653 1 450 . 1 1 38 38 GLU HG3 H 1 2.161 0.020 . 1 . . . A 35 GLU HG3 . 18653 1 451 . 1 1 38 38 GLU C C 13 174.440 0.300 . 1 . . . A 35 GLU C . 18653 1 452 . 1 1 38 38 GLU CA C 13 57.081 0.300 . 1 . . . A 35 GLU CA . 18653 1 453 . 1 1 38 38 GLU CB C 13 31.047 0.300 . 1 . . . A 35 GLU CB . 18653 1 454 . 1 1 38 38 GLU CG C 13 36.782 0.300 . 1 . . . A 35 GLU CG . 18653 1 455 . 1 1 38 38 GLU N N 15 118.706 0.300 . 1 . . . A 35 GLU N . 18653 1 456 . 1 1 39 39 VAL H H 1 8.366 0.020 . 1 . . . A 36 VAL H . 18653 1 457 . 1 1 39 39 VAL HA H 1 5.089 0.020 . 1 . . . A 36 VAL HA . 18653 1 458 . 1 1 39 39 VAL HB H 1 1.830 0.020 . 1 . . . A 36 VAL HB . 18653 1 459 . 1 1 39 39 VAL HG11 H 1 0.807 0.020 . 1 . . . A 36 VAL HG11 . 18653 1 460 . 1 1 39 39 VAL HG12 H 1 0.807 0.020 . 1 . . . A 36 VAL HG12 . 18653 1 461 . 1 1 39 39 VAL HG13 H 1 0.807 0.020 . 1 . . . A 36 VAL HG13 . 18653 1 462 . 1 1 39 39 VAL HG21 H 1 0.995 0.020 . 1 . . . A 36 VAL HG21 . 18653 1 463 . 1 1 39 39 VAL HG22 H 1 0.995 0.020 . 1 . . . A 36 VAL HG22 . 18653 1 464 . 1 1 39 39 VAL HG23 H 1 0.995 0.020 . 1 . . . A 36 VAL HG23 . 18653 1 465 . 1 1 39 39 VAL C C 13 176.473 0.300 . 1 . . . A 36 VAL C . 18653 1 466 . 1 1 39 39 VAL CA C 13 61.186 0.300 . 1 . . . A 36 VAL CA . 18653 1 467 . 1 1 39 39 VAL CB C 13 33.864 0.300 . 1 . . . A 36 VAL CB . 18653 1 468 . 1 1 39 39 VAL CG1 C 13 21.362 0.300 . 1 . . . A 36 VAL CG1 . 18653 1 469 . 1 1 39 39 VAL CG2 C 13 21.569 0.300 . 1 . . . A 36 VAL CG2 . 18653 1 470 . 1 1 39 39 VAL N N 15 124.622 0.300 . 1 . . . A 36 VAL N . 18653 1 471 . 1 1 40 40 ALA H H 1 9.443 0.020 . 1 . . . A 37 ALA H . 18653 1 472 . 1 1 40 40 ALA HA H 1 4.698 0.020 . 1 . . . A 37 ALA HA . 18653 1 473 . 1 1 40 40 ALA HB1 H 1 1.351 0.020 . 1 . . . A 37 ALA HB1 . 18653 1 474 . 1 1 40 40 ALA HB2 H 1 1.351 0.020 . 1 . . . A 37 ALA HB2 . 18653 1 475 . 1 1 40 40 ALA HB3 H 1 1.351 0.020 . 1 . . . A 37 ALA HB3 . 18653 1 476 . 1 1 40 40 ALA C C 13 175.293 0.300 . 1 . . . A 37 ALA C . 18653 1 477 . 1 1 40 40 ALA CA C 13 51.183 0.300 . 1 . . . A 37 ALA CA . 18653 1 478 . 1 1 40 40 ALA CB C 13 23.860 0.300 . 1 . . . A 37 ALA CB . 18653 1 479 . 1 1 40 40 ALA N N 15 128.861 0.300 . 1 . . . A 37 ALA N . 18653 1 480 . 1 1 41 41 GLU H H 1 8.442 0.020 . 1 . . . A 38 GLU H . 18653 1 481 . 1 1 41 41 GLU HA H 1 4.926 0.020 . 1 . . . A 38 GLU HA . 18653 1 482 . 1 1 41 41 GLU HB2 H 1 1.846 0.020 . 1 . . . A 38 GLU HB2 . 18653 1 483 . 1 1 41 41 GLU HB3 H 1 1.781 0.020 . 1 . . . A 38 GLU HB3 . 18653 1 484 . 1 1 41 41 GLU HG2 H 1 2.183 0.020 . 1 . . . A 38 GLU HG2 . 18653 1 485 . 1 1 41 41 GLU HG3 H 1 1.938 0.020 . 1 . . . A 38 GLU HG3 . 18653 1 486 . 1 1 41 41 GLU C C 13 176.911 0.300 . 1 . . . A 38 GLU C . 18653 1 487 . 1 1 41 41 GLU CA C 13 56.244 0.300 . 1 . . . A 38 GLU CA . 18653 1 488 . 1 1 41 41 GLU CB C 13 31.844 0.300 . 1 . . . A 38 GLU CB . 18653 1 489 . 1 1 41 41 GLU CG C 13 38.326 0.300 . 1 . . . A 38 GLU CG . 18653 1 490 . 1 1 41 41 GLU N N 15 118.675 0.300 . 1 . . . A 38 GLU N . 18653 1 491 . 1 1 42 42 LYS H H 1 9.238 0.020 . 1 . . . A 39 LYS H . 18653 1 492 . 1 1 42 42 LYS HA H 1 4.769 0.020 . 1 . . . A 39 LYS HA . 18653 1 493 . 1 1 42 42 LYS HB2 H 1 1.466 0.020 . 1 . . . A 39 LYS HB2 . 18653 1 494 . 1 1 42 42 LYS HB3 H 1 1.930 0.020 . 1 . . . A 39 LYS HB3 . 18653 1 495 . 1 1 42 42 LYS HG2 H 1 0.714 0.020 . 1 . . . A 39 LYS HG2 . 18653 1 496 . 1 1 42 42 LYS HG3 H 1 0.683 0.020 . 1 . . . A 39 LYS HG3 . 18653 1 497 . 1 1 42 42 LYS HD2 H 1 1.782 0.020 . 1 . . . A 39 LYS HD2 . 18653 1 498 . 1 1 42 42 LYS HD3 H 1 1.782 0.020 . 1 . . . A 39 LYS HD3 . 18653 1 499 . 1 1 42 42 LYS C C 13 175.433 0.300 . 1 . . . A 39 LYS C . 18653 1 500 . 1 1 42 42 LYS CA C 13 52.548 0.300 . 1 . . . A 39 LYS CA . 18653 1 501 . 1 1 42 42 LYS CB C 13 37.901 0.300 . 1 . . . A 39 LYS CB . 18653 1 502 . 1 1 42 42 LYS CG C 13 24.776 0.300 . 1 . . . A 39 LYS CG . 18653 1 503 . 1 1 42 42 LYS CD C 13 28.138 0.300 . 1 . . . A 39 LYS CD . 18653 1 504 . 1 1 42 42 LYS CE C 13 42.907 0.300 . 1 . . . A 39 LYS CE . 18653 1 505 . 1 1 42 42 LYS N N 15 123.717 0.300 . 1 . . . A 39 LYS N . 18653 1 506 . 1 1 43 43 THR H H 1 8.592 0.020 . 1 . . . A 40 THR H . 18653 1 507 . 1 1 43 43 THR HA H 1 4.324 0.020 . 1 . . . A 40 THR HA . 18653 1 508 . 1 1 43 43 THR HB H 1 3.842 0.020 . 1 . . . A 40 THR HB . 18653 1 509 . 1 1 43 43 THR HG21 H 1 1.104 0.020 . 1 . . . A 40 THR HG21 . 18653 1 510 . 1 1 43 43 THR HG22 H 1 1.104 0.020 . 1 . . . A 40 THR HG22 . 18653 1 511 . 1 1 43 43 THR HG23 H 1 1.104 0.020 . 1 . . . A 40 THR HG23 . 18653 1 512 . 1 1 43 43 THR C C 13 173.538 0.300 . 1 . . . A 40 THR C . 18653 1 513 . 1 1 43 43 THR CA C 13 64.019 0.300 . 1 . . . A 40 THR CA . 18653 1 514 . 1 1 43 43 THR CB C 13 70.034 0.300 . 1 . . . A 40 THR CB . 18653 1 515 . 1 1 43 43 THR CG2 C 13 22.177 0.300 . 1 . . . A 40 THR CG2 . 18653 1 516 . 1 1 43 43 THR N N 15 117.281 0.300 . 1 . . . A 40 THR N . 18653 1 517 . 1 1 44 44 VAL H H 1 9.148 0.020 . 1 . . . A 41 VAL H . 18653 1 518 . 1 1 44 44 VAL HA H 1 4.318 0.020 . 1 . . . A 41 VAL HA . 18653 1 519 . 1 1 44 44 VAL HB H 1 2.007 0.020 . 1 . . . A 41 VAL HB . 18653 1 520 . 1 1 44 44 VAL HG11 H 1 0.573 0.020 . 1 . . . A 41 VAL HG11 . 18653 1 521 . 1 1 44 44 VAL HG12 H 1 0.573 0.020 . 1 . . . A 41 VAL HG12 . 18653 1 522 . 1 1 44 44 VAL HG13 H 1 0.573 0.020 . 1 . . . A 41 VAL HG13 . 18653 1 523 . 1 1 44 44 VAL HG21 H 1 0.582 0.020 . 1 . . . A 41 VAL HG21 . 18653 1 524 . 1 1 44 44 VAL HG22 H 1 0.582 0.020 . 1 . . . A 41 VAL HG22 . 18653 1 525 . 1 1 44 44 VAL HG23 H 1 0.582 0.020 . 1 . . . A 41 VAL HG23 . 18653 1 526 . 1 1 44 44 VAL C C 13 176.728 0.300 . 1 . . . A 41 VAL C . 18653 1 527 . 1 1 44 44 VAL CA C 13 62.859 0.300 . 1 . . . A 41 VAL CA . 18653 1 528 . 1 1 44 44 VAL CB C 13 31.400 0.300 . 1 . . . A 41 VAL CB . 18653 1 529 . 1 1 44 44 VAL CG1 C 13 21.899 0.300 . 1 . . . A 41 VAL CG1 . 18653 1 530 . 1 1 44 44 VAL CG2 C 13 22.414 0.300 . 1 . . . A 41 VAL CG2 . 18653 1 531 . 1 1 44 44 VAL N N 15 126.480 0.300 . 1 . . . A 41 VAL N . 18653 1 532 . 1 1 45 45 LEU H H 1 9.101 0.020 . 1 . . . A 42 LEU H . 18653 1 533 . 1 1 45 45 LEU HA H 1 4.334 0.020 . 1 . . . A 42 LEU HA . 18653 1 534 . 1 1 45 45 LEU HB2 H 1 1.482 0.020 . 1 . . . A 42 LEU HB2 . 18653 1 535 . 1 1 45 45 LEU HB3 H 1 1.686 0.020 . 1 . . . A 42 LEU HB3 . 18653 1 536 . 1 1 45 45 LEU HG H 1 1.632 0.020 . 1 . . . A 42 LEU HG . 18653 1 537 . 1 1 45 45 LEU HD11 H 1 0.945 0.020 . 1 . . . A 42 LEU HD11 . 18653 1 538 . 1 1 45 45 LEU HD12 H 1 0.945 0.020 . 1 . . . A 42 LEU HD12 . 18653 1 539 . 1 1 45 45 LEU HD13 H 1 0.945 0.020 . 1 . . . A 42 LEU HD13 . 18653 1 540 . 1 1 45 45 LEU HD21 H 1 0.785 0.020 . 1 . . . A 42 LEU HD21 . 18653 1 541 . 1 1 45 45 LEU HD22 H 1 0.785 0.020 . 1 . . . A 42 LEU HD22 . 18653 1 542 . 1 1 45 45 LEU HD23 H 1 0.785 0.020 . 1 . . . A 42 LEU HD23 . 18653 1 543 . 1 1 45 45 LEU C C 13 176.761 0.300 . 1 . . . A 42 LEU C . 18653 1 544 . 1 1 45 45 LEU CA C 13 56.299 0.300 . 1 . . . A 42 LEU CA . 18653 1 545 . 1 1 45 45 LEU CB C 13 44.302 0.300 . 1 . . . A 42 LEU CB . 18653 1 546 . 1 1 45 45 LEU CG C 13 27.033 0.300 . 1 . . . A 42 LEU CG . 18653 1 547 . 1 1 45 45 LEU CD1 C 13 25.563 0.300 . 1 . . . A 42 LEU CD1 . 18653 1 548 . 1 1 45 45 LEU CD2 C 13 21.583 0.300 . 1 . . . A 42 LEU CD2 . 18653 1 549 . 1 1 45 45 LEU N N 15 129.795 0.300 . 1 . . . A 42 LEU N . 18653 1 550 . 1 1 46 46 GLU H H 1 7.166 0.020 . 1 . . . A 43 GLU H . 18653 1 551 . 1 1 46 46 GLU HA H 1 4.569 0.020 . 1 . . . A 43 GLU HA . 18653 1 552 . 1 1 46 46 GLU HB2 H 1 2.016 0.020 . 1 . . . A 43 GLU HB2 . 18653 1 553 . 1 1 46 46 GLU HB3 H 1 1.903 0.020 . 1 . . . A 43 GLU HB3 . 18653 1 554 . 1 1 46 46 GLU HG2 H 1 2.134 0.020 . 1 . . . A 43 GLU HG2 . 18653 1 555 . 1 1 46 46 GLU HG3 H 1 2.061 0.020 . 1 . . . A 43 GLU HG3 . 18653 1 556 . 1 1 46 46 GLU C C 13 173.593 0.300 . 1 . . . A 43 GLU C . 18653 1 557 . 1 1 46 46 GLU CA C 13 55.001 0.300 . 1 . . . A 43 GLU CA . 18653 1 558 . 1 1 46 46 GLU CB C 13 33.495 0.300 . 1 . . . A 43 GLU CB . 18653 1 559 . 1 1 46 46 GLU CG C 13 35.740 0.300 . 1 . . . A 43 GLU CG . 18653 1 560 . 1 1 46 46 GLU N N 15 113.352 0.300 . 1 . . . A 43 GLU N . 18653 1 561 . 1 1 47 47 THR H H 1 8.422 0.020 . 1 . . . A 44 THR H . 18653 1 562 . 1 1 47 47 THR HA H 1 4.734 0.020 . 1 . . . A 44 THR HA . 18653 1 563 . 1 1 47 47 THR HB H 1 4.597 0.020 . 1 . . . A 44 THR HB . 18653 1 564 . 1 1 47 47 THR HG21 H 1 0.928 0.020 . 1 . . . A 44 THR HG21 . 18653 1 565 . 1 1 47 47 THR HG22 H 1 0.928 0.020 . 1 . . . A 44 THR HG22 . 18653 1 566 . 1 1 47 47 THR HG23 H 1 0.928 0.020 . 1 . . . A 44 THR HG23 . 18653 1 567 . 1 1 47 47 THR C C 13 172.276 0.300 . 1 . . . A 44 THR C . 18653 1 568 . 1 1 47 47 THR CA C 13 60.136 0.300 . 1 . . . A 44 THR CA . 18653 1 569 . 1 1 47 47 THR CB C 13 70.535 0.300 . 1 . . . A 44 THR CB . 18653 1 570 . 1 1 47 47 THR CG2 C 13 21.220 0.300 . 1 . . . A 44 THR CG2 . 18653 1 571 . 1 1 47 47 THR N N 15 112.246 0.300 . 1 . . . A 44 THR N . 18653 1 572 . 1 1 48 48 TYR H H 1 8.792 0.020 . 1 . . . A 45 TYR H . 18653 1 573 . 1 1 48 48 TYR HA H 1 5.033 0.020 . 1 . . . A 45 TYR HA . 18653 1 574 . 1 1 48 48 TYR HB2 H 1 3.076 0.020 . 1 . . . A 45 TYR HB2 . 18653 1 575 . 1 1 48 48 TYR HB3 H 1 2.659 0.020 . 1 . . . A 45 TYR HB3 . 18653 1 576 . 1 1 48 48 TYR HD1 H 1 6.940 0.020 . 1 . . . A 45 TYR HD1 . 18653 1 577 . 1 1 48 48 TYR HD2 H 1 6.940 0.020 . 1 . . . A 45 TYR HD2 . 18653 1 578 . 1 1 48 48 TYR HE1 H 1 6.631 0.020 . 1 . . . A 45 TYR HE1 . 18653 1 579 . 1 1 48 48 TYR HE2 H 1 6.631 0.020 . 1 . . . A 45 TYR HE2 . 18653 1 580 . 1 1 48 48 TYR C C 13 174.652 0.300 . 1 . . . A 45 TYR C . 18653 1 581 . 1 1 48 48 TYR CA C 13 56.790 0.300 . 1 . . . A 45 TYR CA . 18653 1 582 . 1 1 48 48 TYR CB C 13 42.056 0.300 . 1 . . . A 45 TYR CB . 18653 1 583 . 1 1 48 48 TYR CD1 C 13 133.726 0.300 . 1 . . . A 45 TYR CD1 . 18653 1 584 . 1 1 48 48 TYR CD2 C 13 133.726 0.300 . 1 . . . A 45 TYR CD2 . 18653 1 585 . 1 1 48 48 TYR CE1 C 13 118.223 0.300 . 1 . . . A 45 TYR CE1 . 18653 1 586 . 1 1 48 48 TYR CE2 C 13 118.223 0.300 . 1 . . . A 45 TYR CE2 . 18653 1 587 . 1 1 48 48 TYR N N 15 117.556 0.300 . 1 . . . A 45 TYR N . 18653 1 588 . 1 1 49 49 VAL H H 1 8.507 0.020 . 1 . . . A 46 VAL H . 18653 1 589 . 1 1 49 49 VAL HA H 1 4.676 0.020 . 1 . . . A 46 VAL HA . 18653 1 590 . 1 1 49 49 VAL HB H 1 1.899 0.020 . 1 . . . A 46 VAL HB . 18653 1 591 . 1 1 49 49 VAL HG11 H 1 0.908 0.020 . 1 . . . A 46 VAL HG11 . 18653 1 592 . 1 1 49 49 VAL HG12 H 1 0.908 0.020 . 1 . . . A 46 VAL HG12 . 18653 1 593 . 1 1 49 49 VAL HG13 H 1 0.908 0.020 . 1 . . . A 46 VAL HG13 . 18653 1 594 . 1 1 49 49 VAL HG21 H 1 0.747 0.020 . 1 . . . A 46 VAL HG21 . 18653 1 595 . 1 1 49 49 VAL HG22 H 1 0.747 0.020 . 1 . . . A 46 VAL HG22 . 18653 1 596 . 1 1 49 49 VAL HG23 H 1 0.747 0.020 . 1 . . . A 46 VAL HG23 . 18653 1 597 . 1 1 49 49 VAL C C 13 175.374 0.300 . 1 . . . A 46 VAL C . 18653 1 598 . 1 1 49 49 VAL CA C 13 61.236 0.300 . 1 . . . A 46 VAL CA . 18653 1 599 . 1 1 49 49 VAL CB C 13 34.024 0.300 . 1 . . . A 46 VAL CB . 18653 1 600 . 1 1 49 49 VAL CG1 C 13 21.573 0.300 . 1 . . . A 46 VAL CG1 . 18653 1 601 . 1 1 49 49 VAL CG2 C 13 20.460 0.300 . 1 . . . A 46 VAL CG2 . 18653 1 602 . 1 1 49 49 VAL N N 15 123.112 0.300 . 1 . . . A 46 VAL N . 18653 1 603 . 1 1 50 50 ARG H H 1 8.876 0.020 . 1 . . . A 47 ARG H . 18653 1 604 . 1 1 50 50 ARG HA H 1 4.713 0.020 . 1 . . . A 47 ARG HA . 18653 1 605 . 1 1 50 50 ARG HB2 H 1 1.946 0.020 . 1 . . . A 47 ARG HB2 . 18653 1 606 . 1 1 50 50 ARG HB3 H 1 1.349 0.020 . 1 . . . A 47 ARG HB3 . 18653 1 607 . 1 1 50 50 ARG HG2 H 1 1.560 0.020 . 1 . . . A 47 ARG HG2 . 18653 1 608 . 1 1 50 50 ARG HG3 H 1 1.528 0.020 . 1 . . . A 47 ARG HG3 . 18653 1 609 . 1 1 50 50 ARG HD2 H 1 3.100 0.020 . 1 . . . A 47 ARG HD2 . 18653 1 610 . 1 1 50 50 ARG HD3 H 1 3.277 0.020 . 1 . . . A 47 ARG HD3 . 18653 1 611 . 1 1 50 50 ARG C C 13 173.683 0.300 . 1 . . . A 47 ARG C . 18653 1 612 . 1 1 50 50 ARG CA C 13 53.585 0.300 . 1 . . . A 47 ARG CA . 18653 1 613 . 1 1 50 50 ARG CB C 13 34.262 0.300 . 1 . . . A 47 ARG CB . 18653 1 614 . 1 1 50 50 ARG CG C 13 27.520 0.300 . 1 . . . A 47 ARG CG . 18653 1 615 . 1 1 50 50 ARG CD C 13 43.192 0.300 . 1 . . . A 47 ARG CD . 18653 1 616 . 1 1 50 50 ARG N N 15 127.567 0.300 . 1 . . . A 47 ARG N . 18653 1 617 . 1 1 51 51 GLU H H 1 8.020 0.020 . 1 . . . A 48 GLU H . 18653 1 618 . 1 1 51 51 GLU HA H 1 5.410 0.020 . 1 . . . A 48 GLU HA . 18653 1 619 . 1 1 51 51 GLU HB2 H 1 1.759 0.020 . 1 . . . A 48 GLU HB2 . 18653 1 620 . 1 1 51 51 GLU HB3 H 1 1.666 0.020 . 1 . . . A 48 GLU HB3 . 18653 1 621 . 1 1 51 51 GLU HG2 H 1 2.051 0.020 . 1 . . . A 48 GLU HG2 . 18653 1 622 . 1 1 51 51 GLU HG3 H 1 1.979 0.020 . 1 . . . A 48 GLU HG3 . 18653 1 623 . 1 1 51 51 GLU C C 13 175.347 0.300 . 1 . . . A 48 GLU C . 18653 1 624 . 1 1 51 51 GLU CA C 13 54.906 0.300 . 1 . . . A 48 GLU CA . 18653 1 625 . 1 1 51 51 GLU CB C 13 33.529 0.300 . 1 . . . A 48 GLU CB . 18653 1 626 . 1 1 51 51 GLU CG C 13 36.548 0.300 . 1 . . . A 48 GLU CG . 18653 1 627 . 1 1 51 51 GLU N N 15 116.171 0.300 . 1 . . . A 48 GLU N . 18653 1 628 . 1 1 52 52 THR H H 1 8.665 0.020 . 1 . . . A 49 THR H . 18653 1 629 . 1 1 52 52 THR HA H 1 4.854 0.020 . 1 . . . A 49 THR HA . 18653 1 630 . 1 1 52 52 THR HB H 1 4.050 0.020 . 1 . . . A 49 THR HB . 18653 1 631 . 1 1 52 52 THR HG21 H 1 0.911 0.020 . 1 . . . A 49 THR HG21 . 18653 1 632 . 1 1 52 52 THR HG22 H 1 0.911 0.020 . 1 . . . A 49 THR HG22 . 18653 1 633 . 1 1 52 52 THR HG23 H 1 0.911 0.020 . 1 . . . A 49 THR HG23 . 18653 1 634 . 1 1 52 52 THR C C 13 171.947 0.300 . 1 . . . A 49 THR C . 18653 1 635 . 1 1 52 52 THR CA C 13 59.768 0.300 . 1 . . . A 49 THR CA . 18653 1 636 . 1 1 52 52 THR CB C 13 69.994 0.300 . 1 . . . A 49 THR CB . 18653 1 637 . 1 1 52 52 THR CG2 C 13 19.699 0.300 . 1 . . . A 49 THR CG2 . 18653 1 638 . 1 1 52 52 THR N N 15 113.741 0.300 . 1 . . . A 49 THR N . 18653 1 639 . 1 1 53 53 THR H H 1 8.014 0.020 . 1 . . . A 50 THR H . 18653 1 640 . 1 1 53 53 THR HA H 1 4.516 0.020 . 1 . . . A 50 THR HA . 18653 1 641 . 1 1 53 53 THR HB H 1 4.716 0.020 . 1 . . . A 50 THR HB . 18653 1 642 . 1 1 53 53 THR HG21 H 1 0.905 0.020 . 1 . . . A 50 THR HG21 . 18653 1 643 . 1 1 53 53 THR HG22 H 1 0.905 0.020 . 1 . . . A 50 THR HG22 . 18653 1 644 . 1 1 53 53 THR HG23 H 1 0.905 0.020 . 1 . . . A 50 THR HG23 . 18653 1 645 . 1 1 53 53 THR C C 13 173.257 0.300 . 1 . . . A 50 THR C . 18653 1 646 . 1 1 53 53 THR CA C 13 61.305 0.300 . 1 . . . A 50 THR CA . 18653 1 647 . 1 1 53 53 THR CB C 13 69.530 0.300 . 1 . . . A 50 THR CB . 18653 1 648 . 1 1 53 53 THR CG2 C 13 21.699 0.300 . 1 . . . A 50 THR CG2 . 18653 1 649 . 1 1 53 53 THR N N 15 113.434 0.300 . 1 . . . A 50 THR N . 18653 1 650 . 1 1 54 54 GLU H H 1 8.113 0.020 . 1 . . . A 51 GLU H . 18653 1 651 . 1 1 54 54 GLU HA H 1 4.947 0.020 . 1 . . . A 51 GLU HA . 18653 1 652 . 1 1 54 54 GLU HB2 H 1 1.843 0.020 . 1 . . . A 51 GLU HB2 . 18653 1 653 . 1 1 54 54 GLU HB3 H 1 1.815 0.020 . 1 . . . A 51 GLU HB3 . 18653 1 654 . 1 1 54 54 GLU HG2 H 1 1.985 0.020 . 1 . . . A 51 GLU HG2 . 18653 1 655 . 1 1 54 54 GLU HG3 H 1 2.172 0.020 . 1 . . . A 51 GLU HG3 . 18653 1 656 . 1 1 54 54 GLU C C 13 174.444 0.300 . 1 . . . A 51 GLU C . 18653 1 657 . 1 1 54 54 GLU CA C 13 55.907 0.300 . 1 . . . A 51 GLU CA . 18653 1 658 . 1 1 54 54 GLU CB C 13 31.714 0.300 . 1 . . . A 51 GLU CB . 18653 1 659 . 1 1 54 54 GLU CG C 13 36.830 0.300 . 1 . . . A 51 GLU CG . 18653 1 660 . 1 1 54 54 GLU N N 15 123.399 0.300 . 1 . . . A 51 GLU N . 18653 1 661 . 1 1 55 55 LEU H H 1 8.801 0.020 . 1 . . . A 52 LEU H . 18653 1 662 . 1 1 55 55 LEU HA H 1 5.002 0.020 . 1 . . . A 52 LEU HA . 18653 1 663 . 1 1 55 55 LEU HB2 H 1 1.317 0.020 . 1 . . . A 52 LEU HB2 . 18653 1 664 . 1 1 55 55 LEU HB3 H 1 1.879 0.020 . 1 . . . A 52 LEU HB3 . 18653 1 665 . 1 1 55 55 LEU HG H 1 1.414 0.020 . 1 . . . A 52 LEU HG . 18653 1 666 . 1 1 55 55 LEU HD11 H 1 0.594 0.020 . 1 . . . A 52 LEU HD11 . 18653 1 667 . 1 1 55 55 LEU HD12 H 1 0.594 0.020 . 1 . . . A 52 LEU HD12 . 18653 1 668 . 1 1 55 55 LEU HD13 H 1 0.594 0.020 . 1 . . . A 52 LEU HD13 . 18653 1 669 . 1 1 55 55 LEU HD21 H 1 0.788 0.020 . 1 . . . A 52 LEU HD21 . 18653 1 670 . 1 1 55 55 LEU HD22 H 1 0.788 0.020 . 1 . . . A 52 LEU HD22 . 18653 1 671 . 1 1 55 55 LEU HD23 H 1 0.788 0.020 . 1 . . . A 52 LEU HD23 . 18653 1 672 . 1 1 55 55 LEU C C 13 174.486 0.300 . 1 . . . A 52 LEU C . 18653 1 673 . 1 1 55 55 LEU CA C 13 52.916 0.300 . 1 . . . A 52 LEU CA . 18653 1 674 . 1 1 55 55 LEU CB C 13 46.242 0.300 . 1 . . . A 52 LEU CB . 18653 1 675 . 1 1 55 55 LEU CG C 13 27.072 0.300 . 1 . . . A 52 LEU CG . 18653 1 676 . 1 1 55 55 LEU CD1 C 13 23.761 0.300 . 1 . . . A 52 LEU CD1 . 18653 1 677 . 1 1 55 55 LEU CD2 C 13 25.729 0.300 . 1 . . . A 52 LEU CD2 . 18653 1 678 . 1 1 55 55 LEU N N 15 125.506 0.300 . 1 . . . A 52 LEU N . 18653 1 679 . 1 1 56 56 LEU H H 1 9.267 0.020 . 1 . . . A 53 LEU H . 18653 1 680 . 1 1 56 56 LEU HA H 1 4.913 0.020 . 1 . . . A 53 LEU HA . 18653 1 681 . 1 1 56 56 LEU HB2 H 1 1.092 0.020 . 1 . . . A 53 LEU HB2 . 18653 1 682 . 1 1 56 56 LEU HB3 H 1 1.525 0.020 . 1 . . . A 53 LEU HB3 . 18653 1 683 . 1 1 56 56 LEU HG H 1 1.288 0.020 . 1 . . . A 53 LEU HG . 18653 1 684 . 1 1 56 56 LEU HD11 H 1 0.656 0.020 . 1 . . . A 53 LEU HD11 . 18653 1 685 . 1 1 56 56 LEU HD12 H 1 0.656 0.020 . 1 . . . A 53 LEU HD12 . 18653 1 686 . 1 1 56 56 LEU HD13 H 1 0.656 0.020 . 1 . . . A 53 LEU HD13 . 18653 1 687 . 1 1 56 56 LEU HD21 H 1 0.695 0.020 . 1 . . . A 53 LEU HD21 . 18653 1 688 . 1 1 56 56 LEU HD22 H 1 0.695 0.020 . 1 . . . A 53 LEU HD22 . 18653 1 689 . 1 1 56 56 LEU HD23 H 1 0.695 0.020 . 1 . . . A 53 LEU HD23 . 18653 1 690 . 1 1 56 56 LEU C C 13 174.866 0.300 . 1 . . . A 53 LEU C . 18653 1 691 . 1 1 56 56 LEU CA C 13 52.946 0.300 . 1 . . . A 53 LEU CA . 18653 1 692 . 1 1 56 56 LEU CB C 13 43.967 0.300 . 1 . . . A 53 LEU CB . 18653 1 693 . 1 1 56 56 LEU CG C 13 27.646 0.300 . 1 . . . A 53 LEU CG . 18653 1 694 . 1 1 56 56 LEU CD1 C 13 26.230 0.300 . 1 . . . A 53 LEU CD1 . 18653 1 695 . 1 1 56 56 LEU CD2 C 13 24.487 0.300 . 1 . . . A 53 LEU CD2 . 18653 1 696 . 1 1 56 56 LEU N N 15 125.116 0.300 . 1 . . . A 53 LEU N . 18653 1 697 . 1 1 57 57 HIS H H 1 9.565 0.020 . 1 . . . A 54 HIS H . 18653 1 698 . 1 1 57 57 HIS HA H 1 5.099 0.020 . 1 . . . A 54 HIS HA . 18653 1 699 . 1 1 57 57 HIS HB2 H 1 3.217 0.020 . 1 . . . A 54 HIS HB2 . 18653 1 700 . 1 1 57 57 HIS HB3 H 1 2.802 0.020 . 1 . . . A 54 HIS HB3 . 18653 1 701 . 1 1 57 57 HIS HD2 H 1 6.698 0.020 . 1 . . . A 54 HIS HD2 . 18653 1 702 . 1 1 57 57 HIS C C 13 175.279 0.300 . 1 . . . A 54 HIS C . 18653 1 703 . 1 1 57 57 HIS CA C 13 54.302 0.300 . 1 . . . A 54 HIS CA . 18653 1 704 . 1 1 57 57 HIS CB C 13 31.638 0.300 . 1 . . . A 54 HIS CB . 18653 1 705 . 1 1 57 57 HIS CD2 C 13 115.918 0.300 . 1 . . . A 54 HIS CD2 . 18653 1 706 . 1 1 57 57 HIS N N 15 125.073 0.300 . 1 . . . A 54 HIS N . 18653 1 707 . 1 1 58 58 LEU H H 1 9.524 0.020 . 1 . . . A 55 LEU H . 18653 1 708 . 1 1 58 58 LEU HA H 1 4.991 0.020 . 1 . . . A 55 LEU HA . 18653 1 709 . 1 1 58 58 LEU HB2 H 1 1.166 0.020 . 1 . . . A 55 LEU HB2 . 18653 1 710 . 1 1 58 58 LEU HB3 H 1 1.707 0.020 . 1 . . . A 55 LEU HB3 . 18653 1 711 . 1 1 58 58 LEU HG H 1 1.366 0.020 . 1 . . . A 55 LEU HG . 18653 1 712 . 1 1 58 58 LEU HD11 H 1 0.604 0.020 . 1 . . . A 55 LEU HD11 . 18653 1 713 . 1 1 58 58 LEU HD12 H 1 0.604 0.020 . 1 . . . A 55 LEU HD12 . 18653 1 714 . 1 1 58 58 LEU HD13 H 1 0.604 0.020 . 1 . . . A 55 LEU HD13 . 18653 1 715 . 1 1 58 58 LEU HD21 H 1 0.333 0.020 . 1 . . . A 55 LEU HD21 . 18653 1 716 . 1 1 58 58 LEU HD22 H 1 0.333 0.020 . 1 . . . A 55 LEU HD22 . 18653 1 717 . 1 1 58 58 LEU HD23 H 1 0.333 0.020 . 1 . . . A 55 LEU HD23 . 18653 1 718 . 1 1 58 58 LEU C C 13 175.399 0.300 . 1 . . . A 55 LEU C . 18653 1 719 . 1 1 58 58 LEU CA C 13 52.952 0.300 . 1 . . . A 55 LEU CA . 18653 1 720 . 1 1 58 58 LEU CB C 13 45.541 0.300 . 1 . . . A 55 LEU CB . 18653 1 721 . 1 1 58 58 LEU CG C 13 26.688 0.300 . 1 . . . A 55 LEU CG . 18653 1 722 . 1 1 58 58 LEU CD1 C 13 24.167 0.300 . 1 . . . A 55 LEU CD1 . 18653 1 723 . 1 1 58 58 LEU CD2 C 13 26.999 0.300 . 1 . . . A 55 LEU CD2 . 18653 1 724 . 1 1 58 58 LEU N N 15 128.339 0.300 . 1 . . . A 55 LEU N . 18653 1 725 . 1 1 59 59 THR H H 1 8.660 0.020 . 1 . . . A 56 THR H . 18653 1 726 . 1 1 59 59 THR HA H 1 5.186 0.020 . 1 . . . A 56 THR HA . 18653 1 727 . 1 1 59 59 THR HB H 1 3.970 0.020 . 1 . . . A 56 THR HB . 18653 1 728 . 1 1 59 59 THR HG21 H 1 1.072 0.020 . 1 . . . A 56 THR HG21 . 18653 1 729 . 1 1 59 59 THR HG22 H 1 1.072 0.020 . 1 . . . A 56 THR HG22 . 18653 1 730 . 1 1 59 59 THR HG23 H 1 1.072 0.020 . 1 . . . A 56 THR HG23 . 18653 1 731 . 1 1 59 59 THR C C 13 174.120 0.300 . 1 . . . A 56 THR C . 18653 1 732 . 1 1 59 59 THR CA C 13 61.967 0.300 . 1 . . . A 56 THR CA . 18653 1 733 . 1 1 59 59 THR CB C 13 67.924 0.300 . 1 . . . A 56 THR CB . 18653 1 734 . 1 1 59 59 THR CG2 C 13 21.034 0.300 . 1 . . . A 56 THR CG2 . 18653 1 735 . 1 1 59 59 THR N N 15 120.548 0.300 . 1 . . . A 56 THR N . 18653 1 736 . 1 1 60 60 ILE H H 1 9.390 0.020 . 1 . . . A 57 ILE H . 18653 1 737 . 1 1 60 60 ILE HA H 1 4.569 0.020 . 1 . . . A 57 ILE HA . 18653 1 738 . 1 1 60 60 ILE HB H 1 1.694 0.020 . 1 . . . A 57 ILE HB . 18653 1 739 . 1 1 60 60 ILE HG12 H 1 1.482 0.020 . 1 . . . A 57 ILE HG12 . 18653 1 740 . 1 1 60 60 ILE HG13 H 1 1.482 0.020 . 1 . . . A 57 ILE HG13 . 18653 1 741 . 1 1 60 60 ILE HG21 H 1 0.780 0.020 . 1 . . . A 57 ILE HG21 . 18653 1 742 . 1 1 60 60 ILE HG22 H 1 0.780 0.020 . 1 . . . A 57 ILE HG22 . 18653 1 743 . 1 1 60 60 ILE HG23 H 1 0.780 0.020 . 1 . . . A 57 ILE HG23 . 18653 1 744 . 1 1 60 60 ILE HD11 H 1 0.815 0.020 . 1 . . . A 57 ILE HD11 . 18653 1 745 . 1 1 60 60 ILE HD12 H 1 0.815 0.020 . 1 . . . A 57 ILE HD12 . 18653 1 746 . 1 1 60 60 ILE HD13 H 1 0.815 0.020 . 1 . . . A 57 ILE HD13 . 18653 1 747 . 1 1 60 60 ILE C C 13 176.378 0.300 . 1 . . . A 57 ILE C . 18653 1 748 . 1 1 60 60 ILE CA C 13 59.691 0.300 . 1 . . . A 57 ILE CA . 18653 1 749 . 1 1 60 60 ILE CB C 13 42.386 0.300 . 1 . . . A 57 ILE CB . 18653 1 750 . 1 1 60 60 ILE CG1 C 13 27.059 0.300 . 1 . . . A 57 ILE CG1 . 18653 1 751 . 1 1 60 60 ILE CG2 C 13 19.154 0.300 . 1 . . . A 57 ILE CG2 . 18653 1 752 . 1 1 60 60 ILE CD1 C 13 15.758 0.300 . 1 . . . A 57 ILE CD1 . 18653 1 753 . 1 1 60 60 ILE N N 15 129.551 0.300 . 1 . . . A 57 ILE N . 18653 1 754 . 1 1 61 61 GLY H H 1 8.411 0.020 . 1 . . . A 58 GLY H . 18653 1 755 . 1 1 61 61 GLY HA2 H 1 3.710 0.020 . 1 . . . A 58 GLY HA2 . 18653 1 756 . 1 1 61 61 GLY HA3 H 1 4.077 0.020 . 1 . . . A 58 GLY HA3 . 18653 1 757 . 1 1 61 61 GLY C C 13 176.335 0.300 . 1 . . . A 58 GLY C . 18653 1 758 . 1 1 61 61 GLY CA C 13 48.630 0.300 . 1 . . . A 58 GLY CA . 18653 1 759 . 1 1 61 61 GLY N N 15 116.540 0.300 . 1 . . . A 58 GLY N . 18653 1 760 . 1 1 62 62 GLY H H 1 9.185 0.020 . 1 . . . A 59 GLY H . 18653 1 761 . 1 1 62 62 GLY HA2 H 1 4.142 0.020 . 1 . . . A 59 GLY HA2 . 18653 1 762 . 1 1 62 62 GLY HA3 H 1 3.553 0.020 . 1 . . . A 59 GLY HA3 . 18653 1 763 . 1 1 62 62 GLY C C 13 172.794 0.300 . 1 . . . A 59 GLY C . 18653 1 764 . 1 1 62 62 GLY CA C 13 45.506 0.300 . 1 . . . A 59 GLY CA . 18653 1 765 . 1 1 62 62 GLY N N 15 106.593 0.300 . 1 . . . A 59 GLY N . 18653 1 766 . 1 1 63 63 GLU H H 1 7.914 0.020 . 1 . . . A 60 GLU H . 18653 1 767 . 1 1 63 63 GLU HA H 1 4.726 0.020 . 1 . . . A 60 GLU HA . 18653 1 768 . 1 1 63 63 GLU HB2 H 1 1.937 0.020 . 1 . . . A 60 GLU HB2 . 18653 1 769 . 1 1 63 63 GLU HB3 H 1 2.170 0.020 . 1 . . . A 60 GLU HB3 . 18653 1 770 . 1 1 63 63 GLU HG2 H 1 2.153 0.020 . 1 . . . A 60 GLU HG2 . 18653 1 771 . 1 1 63 63 GLU HG3 H 1 2.222 0.020 . 1 . . . A 60 GLU HG3 . 18653 1 772 . 1 1 63 63 GLU C C 13 173.859 0.300 . 1 . . . A 60 GLU C . 18653 1 773 . 1 1 63 63 GLU CA C 13 54.230 0.300 . 1 . . . A 60 GLU CA . 18653 1 774 . 1 1 63 63 GLU CB C 13 32.749 0.300 . 1 . . . A 60 GLU CB . 18653 1 775 . 1 1 63 63 GLU CG C 13 36.184 0.300 . 1 . . . A 60 GLU CG . 18653 1 776 . 1 1 63 63 GLU N N 15 123.138 0.300 . 1 . . . A 60 GLU N . 18653 1 777 . 1 1 64 64 VAL H H 1 8.629 0.020 . 1 . . . A 61 VAL H . 18653 1 778 . 1 1 64 64 VAL HA H 1 4.741 0.020 . 1 . . . A 61 VAL HA . 18653 1 779 . 1 1 64 64 VAL HB H 1 1.886 0.020 . 1 . . . A 61 VAL HB . 18653 1 780 . 1 1 64 64 VAL HG11 H 1 0.670 0.020 . 1 . . . A 61 VAL HG11 . 18653 1 781 . 1 1 64 64 VAL HG12 H 1 0.670 0.020 . 1 . . . A 61 VAL HG12 . 18653 1 782 . 1 1 64 64 VAL HG13 H 1 0.670 0.020 . 1 . . . A 61 VAL HG13 . 18653 1 783 . 1 1 64 64 VAL HG21 H 1 0.966 0.020 . 1 . . . A 61 VAL HG21 . 18653 1 784 . 1 1 64 64 VAL HG22 H 1 0.966 0.020 . 1 . . . A 61 VAL HG22 . 18653 1 785 . 1 1 64 64 VAL HG23 H 1 0.966 0.020 . 1 . . . A 61 VAL HG23 . 18653 1 786 . 1 1 64 64 VAL C C 13 176.094 0.300 . 1 . . . A 61 VAL C . 18653 1 787 . 1 1 64 64 VAL CA C 13 62.162 0.300 . 1 . . . A 61 VAL CA . 18653 1 788 . 1 1 64 64 VAL CB C 13 32.232 0.300 . 1 . . . A 61 VAL CB . 18653 1 789 . 1 1 64 64 VAL CG1 C 13 21.390 0.300 . 1 . . . A 61 VAL CG1 . 18653 1 790 . 1 1 64 64 VAL CG2 C 13 21.346 0.300 . 1 . . . A 61 VAL CG2 . 18653 1 791 . 1 1 64 64 VAL N N 15 125.325 0.300 . 1 . . . A 61 VAL N . 18653 1 792 . 1 1 65 65 ILE H H 1 9.557 0.020 . 1 . . . A 62 ILE H . 18653 1 793 . 1 1 65 65 ILE HA H 1 4.503 0.020 . 1 . . . A 62 ILE HA . 18653 1 794 . 1 1 65 65 ILE HB H 1 1.961 0.020 . 1 . . . A 62 ILE HB . 18653 1 795 . 1 1 65 65 ILE HG12 H 1 1.410 0.020 . 1 . . . A 62 ILE HG12 . 18653 1 796 . 1 1 65 65 ILE HG13 H 1 1.588 0.020 . 1 . . . A 62 ILE HG13 . 18653 1 797 . 1 1 65 65 ILE HG21 H 1 1.252 0.020 . 1 . . . A 62 ILE HG21 . 18653 1 798 . 1 1 65 65 ILE HG22 H 1 1.252 0.020 . 1 . . . A 62 ILE HG22 . 18653 1 799 . 1 1 65 65 ILE HG23 H 1 1.252 0.020 . 1 . . . A 62 ILE HG23 . 18653 1 800 . 1 1 65 65 ILE HD11 H 1 0.934 0.020 . 1 . . . A 62 ILE HD11 . 18653 1 801 . 1 1 65 65 ILE HD12 H 1 0.934 0.020 . 1 . . . A 62 ILE HD12 . 18653 1 802 . 1 1 65 65 ILE HD13 H 1 0.934 0.020 . 1 . . . A 62 ILE HD13 . 18653 1 803 . 1 1 65 65 ILE C C 13 174.434 0.300 . 1 . . . A 62 ILE C . 18653 1 804 . 1 1 65 65 ILE CA C 13 59.219 0.300 . 1 . . . A 62 ILE CA . 18653 1 805 . 1 1 65 65 ILE CB C 13 40.273 0.300 . 1 . . . A 62 ILE CB . 18653 1 806 . 1 1 65 65 ILE CG1 C 13 27.685 0.300 . 1 . . . A 62 ILE CG1 . 18653 1 807 . 1 1 65 65 ILE CG2 C 13 18.064 0.300 . 1 . . . A 62 ILE CG2 . 18653 1 808 . 1 1 65 65 ILE CD1 C 13 12.253 0.300 . 1 . . . A 62 ILE CD1 . 18653 1 809 . 1 1 65 65 ILE N N 15 132.362 0.300 . 1 . . . A 62 ILE N . 18653 1 810 . 1 1 66 66 LYS H H 1 9.298 0.020 . 1 . . . A 63 LYS H . 18653 1 811 . 1 1 66 66 LYS HA H 1 5.230 0.020 . 1 . . . A 63 LYS HA . 18653 1 812 . 1 1 66 66 LYS HB2 H 1 1.274 0.020 . 1 . . . A 63 LYS HB2 . 18653 1 813 . 1 1 66 66 LYS HB3 H 1 2.026 0.020 . 1 . . . A 63 LYS HB3 . 18653 1 814 . 1 1 66 66 LYS HG2 H 1 0.392 0.020 . 1 . . . A 63 LYS HG2 . 18653 1 815 . 1 1 66 66 LYS HG3 H 1 1.088 0.020 . 1 . . . A 63 LYS HG3 . 18653 1 816 . 1 1 66 66 LYS HD2 H 1 1.324 0.020 . 1 . . . A 63 LYS HD2 . 18653 1 817 . 1 1 66 66 LYS HD3 H 1 1.487 0.020 . 1 . . . A 63 LYS HD3 . 18653 1 818 . 1 1 66 66 LYS HE2 H 1 2.670 0.020 . 1 . . . A 63 LYS HE2 . 18653 1 819 . 1 1 66 66 LYS HE3 H 1 2.430 0.020 . 1 . . . A 63 LYS HE3 . 18653 1 820 . 1 1 66 66 LYS C C 13 174.193 0.300 . 1 . . . A 63 LYS C . 18653 1 821 . 1 1 66 66 LYS CA C 13 55.955 0.300 . 1 . . . A 63 LYS CA . 18653 1 822 . 1 1 66 66 LYS CB C 13 33.986 0.300 . 1 . . . A 63 LYS CB . 18653 1 823 . 1 1 66 66 LYS CG C 13 25.357 0.300 . 1 . . . A 63 LYS CG . 18653 1 824 . 1 1 66 66 LYS CD C 13 30.048 0.300 . 1 . . . A 63 LYS CD . 18653 1 825 . 1 1 66 66 LYS CE C 13 42.151 0.300 . 1 . . . A 63 LYS CE . 18653 1 826 . 1 1 66 66 LYS N N 15 127.725 0.300 . 1 . . . A 63 LYS N . 18653 1 827 . 1 1 67 67 THR H H 1 8.812 0.020 . 1 . . . A 64 THR H . 18653 1 828 . 1 1 67 67 THR HA H 1 5.097 0.020 . 1 . . . A 64 THR HA . 18653 1 829 . 1 1 67 67 THR HB H 1 4.044 0.020 . 1 . . . A 64 THR HB . 18653 1 830 . 1 1 67 67 THR HG21 H 1 1.318 0.020 . 1 . . . A 64 THR HG21 . 18653 1 831 . 1 1 67 67 THR HG22 H 1 1.318 0.020 . 1 . . . A 64 THR HG22 . 18653 1 832 . 1 1 67 67 THR HG23 H 1 1.318 0.020 . 1 . . . A 64 THR HG23 . 18653 1 833 . 1 1 67 67 THR C C 13 172.263 0.300 . 1 . . . A 64 THR C . 18653 1 834 . 1 1 67 67 THR CA C 13 57.050 0.300 . 1 . . . A 64 THR CA . 18653 1 835 . 1 1 67 67 THR CB C 13 71.570 0.300 . 1 . . . A 64 THR CB . 18653 1 836 . 1 1 67 67 THR CG2 C 13 17.161 0.300 . 1 . . . A 64 THR CG2 . 18653 1 837 . 1 1 67 67 THR N N 15 120.337 0.300 . 1 . . . A 64 THR N . 18653 1 838 . 1 1 68 68 THR H H 1 8.867 0.020 . 1 . . . A 65 THR H . 18653 1 839 . 1 1 68 68 THR HA H 1 4.878 0.020 . 1 . . . A 65 THR HA . 18653 1 840 . 1 1 68 68 THR HB H 1 4.634 0.020 . 1 . . . A 65 THR HB . 18653 1 841 . 1 1 68 68 THR HG21 H 1 1.089 0.020 . 1 . . . A 65 THR HG21 . 18653 1 842 . 1 1 68 68 THR HG22 H 1 1.089 0.020 . 1 . . . A 65 THR HG22 . 18653 1 843 . 1 1 68 68 THR HG23 H 1 1.089 0.020 . 1 . . . A 65 THR HG23 . 18653 1 844 . 1 1 68 68 THR C C 13 175.875 0.300 . 1 . . . A 65 THR C . 18653 1 845 . 1 1 68 68 THR CA C 13 60.055 0.300 . 1 . . . A 65 THR CA . 18653 1 846 . 1 1 68 68 THR CB C 13 71.484 0.300 . 1 . . . A 65 THR CB . 18653 1 847 . 1 1 68 68 THR CG2 C 13 22.259 0.300 . 1 . . . A 65 THR CG2 . 18653 1 848 . 1 1 68 68 THR N N 15 112.181 0.300 . 1 . . . A 65 THR N . 18653 1 849 . 1 1 69 69 PHE H H 1 9.103 0.020 . 1 . . . A 66 PHE H . 18653 1 850 . 1 1 69 69 PHE HA H 1 3.765 0.020 . 1 . . . A 66 PHE HA . 18653 1 851 . 1 1 69 69 PHE HB2 H 1 3.057 0.020 . 1 . . . A 66 PHE HB2 . 18653 1 852 . 1 1 69 69 PHE HB3 H 1 3.058 0.020 . 1 . . . A 66 PHE HB3 . 18653 1 853 . 1 1 69 69 PHE HD1 H 1 7.177 0.020 . 1 . . . A 66 PHE HD1 . 18653 1 854 . 1 1 69 69 PHE HD2 H 1 7.177 0.020 . 1 . . . A 66 PHE HD2 . 18653 1 855 . 1 1 69 69 PHE HE1 H 1 7.283 0.020 . 1 . . . A 66 PHE HE1 . 18653 1 856 . 1 1 69 69 PHE HE2 H 1 7.283 0.020 . 1 . . . A 66 PHE HE2 . 18653 1 857 . 1 1 69 69 PHE C C 13 175.924 0.300 . 1 . . . A 66 PHE C . 18653 1 858 . 1 1 69 69 PHE CA C 13 61.482 0.300 . 1 . . . A 66 PHE CA . 18653 1 859 . 1 1 69 69 PHE CB C 13 39.909 0.300 . 1 . . . A 66 PHE CB . 18653 1 860 . 1 1 69 69 PHE N N 15 118.484 0.300 . 1 . . . A 66 PHE N . 18653 1 861 . 1 1 70 70 ASP H H 1 7.593 0.020 . 1 . . . A 67 ASP H . 18653 1 862 . 1 1 70 70 ASP HA H 1 4.605 0.020 . 1 . . . A 67 ASP HA . 18653 1 863 . 1 1 70 70 ASP HB2 H 1 2.578 0.020 . 1 . . . A 67 ASP HB2 . 18653 1 864 . 1 1 70 70 ASP HB3 H 1 2.671 0.020 . 1 . . . A 67 ASP HB3 . 18653 1 865 . 1 1 70 70 ASP C C 13 176.060 0.300 . 1 . . . A 67 ASP C . 18653 1 866 . 1 1 70 70 ASP CA C 13 53.011 0.300 . 1 . . . A 67 ASP CA . 18653 1 867 . 1 1 70 70 ASP CB C 13 41.267 0.300 . 1 . . . A 67 ASP CB . 18653 1 868 . 1 1 70 70 ASP N N 15 111.254 0.300 . 1 . . . A 67 ASP N . 18653 1 869 . 1 1 71 71 HIS H H 1 7.682 0.020 . 1 . . . A 68 HIS H . 18653 1 870 . 1 1 71 71 HIS HA H 1 3.910 0.020 . 1 . . . A 68 HIS HA . 18653 1 871 . 1 1 71 71 HIS HB2 H 1 3.253 0.020 . 1 . . . A 68 HIS HB2 . 18653 1 872 . 1 1 71 71 HIS HB3 H 1 3.066 0.020 . 1 . . . A 68 HIS HB3 . 18653 1 873 . 1 1 71 71 HIS HD2 H 1 6.346 0.020 . 1 . . . A 68 HIS HD2 . 18653 1 874 . 1 1 71 71 HIS C C 13 175.441 0.300 . 1 . . . A 68 HIS C . 18653 1 875 . 1 1 71 71 HIS CA C 13 58.602 0.300 . 1 . . . A 68 HIS CA . 18653 1 876 . 1 1 71 71 HIS CB C 13 34.651 0.300 . 1 . . . A 68 HIS CB . 18653 1 877 . 1 1 71 71 HIS CD2 C 13 116.657 0.300 . 1 . . . A 68 HIS CD2 . 18653 1 878 . 1 1 71 71 HIS N N 15 124.309 0.300 . 1 . . . A 68 HIS N . 18653 1 879 . 1 1 72 72 PRO HA H 1 4.795 0.020 . 1 . . . A 69 PRO HA . 18653 1 880 . 1 1 72 72 PRO HB2 H 1 1.559 0.020 . 1 . . . A 69 PRO HB2 . 18653 1 881 . 1 1 72 72 PRO HB3 H 1 2.031 0.020 . 1 . . . A 69 PRO HB3 . 18653 1 882 . 1 1 72 72 PRO HG2 H 1 1.703 0.020 . 1 . . . A 69 PRO HG2 . 18653 1 883 . 1 1 72 72 PRO HG3 H 1 1.536 0.020 . 1 . . . A 69 PRO HG3 . 18653 1 884 . 1 1 72 72 PRO HD2 H 1 3.313 0.020 . 1 . . . A 69 PRO HD2 . 18653 1 885 . 1 1 72 72 PRO HD3 H 1 2.259 0.020 . 1 . . . A 69 PRO HD3 . 18653 1 886 . 1 1 72 72 PRO C C 13 176.121 0.300 . 1 . . . A 69 PRO C . 18653 1 887 . 1 1 72 72 PRO CA C 13 61.674 0.300 . 1 . . . A 69 PRO CA . 18653 1 888 . 1 1 72 72 PRO CB C 13 31.458 0.300 . 1 . . . A 69 PRO CB . 18653 1 889 . 1 1 72 72 PRO CG C 13 28.091 0.300 . 1 . . . A 69 PRO CG . 18653 1 890 . 1 1 72 72 PRO CD C 13 49.907 0.300 . 1 . . . A 69 PRO CD . 18653 1 891 . 1 1 73 73 PHE H H 1 9.450 0.020 . 1 . . . A 70 PHE H . 18653 1 892 . 1 1 73 73 PHE HA H 1 5.040 0.020 . 1 . . . A 70 PHE HA . 18653 1 893 . 1 1 73 73 PHE HB2 H 1 2.913 0.020 . 1 . . . A 70 PHE HB2 . 18653 1 894 . 1 1 73 73 PHE HB3 H 1 3.219 0.020 . 1 . . . A 70 PHE HB3 . 18653 1 895 . 1 1 73 73 PHE HD1 H 1 7.555 0.020 . 1 . . . A 70 PHE HD1 . 18653 1 896 . 1 1 73 73 PHE HD2 H 1 7.555 0.020 . 1 . . . A 70 PHE HD2 . 18653 1 897 . 1 1 73 73 PHE HE1 H 1 7.197 0.020 . 1 . . . A 70 PHE HE1 . 18653 1 898 . 1 1 73 73 PHE HE2 H 1 7.197 0.020 . 1 . . . A 70 PHE HE2 . 18653 1 899 . 1 1 73 73 PHE C C 13 175.352 0.300 . 1 . . . A 70 PHE C . 18653 1 900 . 1 1 73 73 PHE CA C 13 56.676 0.300 . 1 . . . A 70 PHE CA . 18653 1 901 . 1 1 73 73 PHE CB C 13 43.186 0.300 . 1 . . . A 70 PHE CB . 18653 1 902 . 1 1 73 73 PHE CD1 C 13 132.173 0.300 . 1 . . . A 70 PHE CD1 . 18653 1 903 . 1 1 73 73 PHE CD2 C 13 132.173 0.300 . 1 . . . A 70 PHE CD2 . 18653 1 904 . 1 1 73 73 PHE N N 15 127.990 0.300 . 1 . . . A 70 PHE N . 18653 1 905 . 1 1 74 74 TYR H H 1 7.992 0.020 . 1 . . . A 71 TYR H . 18653 1 906 . 1 1 74 74 TYR HA H 1 3.538 0.020 . 1 . . . A 71 TYR HA . 18653 1 907 . 1 1 74 74 TYR HB2 H 1 2.306 0.020 . 1 . . . A 71 TYR HB2 . 18653 1 908 . 1 1 74 74 TYR HB3 H 1 2.993 0.020 . 1 . . . A 71 TYR HB3 . 18653 1 909 . 1 1 74 74 TYR HD1 H 1 5.845 0.020 . 1 . . . A 71 TYR HD1 . 18653 1 910 . 1 1 74 74 TYR HD2 H 1 5.845 0.020 . 1 . . . A 71 TYR HD2 . 18653 1 911 . 1 1 74 74 TYR HE1 H 1 6.524 0.020 . 1 . . . A 71 TYR HE1 . 18653 1 912 . 1 1 74 74 TYR HE2 H 1 6.524 0.020 . 1 . . . A 71 TYR HE2 . 18653 1 913 . 1 1 74 74 TYR C C 13 173.037 0.300 . 1 . . . A 71 TYR C . 18653 1 914 . 1 1 74 74 TYR CA C 13 60.368 0.300 . 1 . . . A 71 TYR CA . 18653 1 915 . 1 1 74 74 TYR CB C 13 38.458 0.300 . 1 . . . A 71 TYR CB . 18653 1 916 . 1 1 74 74 TYR CD1 C 13 132.168 0.300 . 1 . . . A 71 TYR CD1 . 18653 1 917 . 1 1 74 74 TYR CD2 C 13 132.168 0.300 . 1 . . . A 71 TYR CD2 . 18653 1 918 . 1 1 74 74 TYR CE1 C 13 117.932 0.300 . 1 . . . A 71 TYR CE1 . 18653 1 919 . 1 1 74 74 TYR CE2 C 13 117.932 0.300 . 1 . . . A 71 TYR CE2 . 18653 1 920 . 1 1 74 74 TYR N N 15 121.960 0.300 . 1 . . . A 71 TYR N . 18653 1 921 . 1 1 75 75 VAL H H 1 8.048 0.020 . 1 . . . A 72 VAL H . 18653 1 922 . 1 1 75 75 VAL HA H 1 4.605 0.020 . 1 . . . A 72 VAL HA . 18653 1 923 . 1 1 75 75 VAL HB H 1 1.779 0.020 . 1 . . . A 72 VAL HB . 18653 1 924 . 1 1 75 75 VAL HG11 H 1 0.895 0.020 . 1 . . . A 72 VAL HG11 . 18653 1 925 . 1 1 75 75 VAL HG12 H 1 0.895 0.020 . 1 . . . A 72 VAL HG12 . 18653 1 926 . 1 1 75 75 VAL HG13 H 1 0.895 0.020 . 1 . . . A 72 VAL HG13 . 18653 1 927 . 1 1 75 75 VAL HG21 H 1 0.731 0.020 . 1 . . . A 72 VAL HG21 . 18653 1 928 . 1 1 75 75 VAL HG22 H 1 0.731 0.020 . 1 . . . A 72 VAL HG22 . 18653 1 929 . 1 1 75 75 VAL HG23 H 1 0.731 0.020 . 1 . . . A 72 VAL HG23 . 18653 1 930 . 1 1 75 75 VAL C C 13 175.872 0.300 . 1 . . . A 72 VAL C . 18653 1 931 . 1 1 75 75 VAL CA C 13 60.577 0.300 . 1 . . . A 72 VAL CA . 18653 1 932 . 1 1 75 75 VAL CB C 13 32.600 0.300 . 1 . . . A 72 VAL CB . 18653 1 933 . 1 1 75 75 VAL CG1 C 13 20.742 0.300 . 1 . . . A 72 VAL CG1 . 18653 1 934 . 1 1 75 75 VAL CG2 C 13 23.038 0.300 . 1 . . . A 72 VAL CG2 . 18653 1 935 . 1 1 75 75 VAL N N 15 129.895 0.300 . 1 . . . A 72 VAL N . 18653 1 936 . 1 1 76 76 LYS H H 1 8.789 0.020 . 1 . . . A 73 LYS H . 18653 1 937 . 1 1 76 76 LYS HA H 1 3.761 0.020 . 1 . . . A 73 LYS HA . 18653 1 938 . 1 1 76 76 LYS HB2 H 1 1.412 0.020 . 1 . . . A 73 LYS HB2 . 18653 1 939 . 1 1 76 76 LYS HB3 H 1 1.680 0.020 . 1 . . . A 73 LYS HB3 . 18653 1 940 . 1 1 76 76 LYS HG2 H 1 1.374 0.020 . 1 . . . A 73 LYS HG2 . 18653 1 941 . 1 1 76 76 LYS HG3 H 1 1.374 0.020 . 1 . . . A 73 LYS HG3 . 18653 1 942 . 1 1 76 76 LYS HD2 H 1 1.590 0.020 . 1 . . . A 73 LYS HD2 . 18653 1 943 . 1 1 76 76 LYS HD3 H 1 1.590 0.020 . 1 . . . A 73 LYS HD3 . 18653 1 944 . 1 1 76 76 LYS HE2 H 1 2.952 0.020 . 1 . . . A 73 LYS HE2 . 18653 1 945 . 1 1 76 76 LYS HE3 H 1 2.952 0.020 . 1 . . . A 73 LYS HE3 . 18653 1 946 . 1 1 76 76 LYS C C 13 175.658 0.300 . 1 . . . A 73 LYS C . 18653 1 947 . 1 1 76 76 LYS CA C 13 58.446 0.300 . 1 . . . A 73 LYS CA . 18653 1 948 . 1 1 76 76 LYS CB C 13 33.164 0.300 . 1 . . . A 73 LYS CB . 18653 1 949 . 1 1 76 76 LYS CG C 13 24.587 0.300 . 1 . . . A 73 LYS CG . 18653 1 950 . 1 1 76 76 LYS CD C 13 29.836 0.300 . 1 . . . A 73 LYS CD . 18653 1 951 . 1 1 76 76 LYS CE C 13 42.100 0.300 . 1 . . . A 73 LYS CE . 18653 1 952 . 1 1 76 76 LYS N N 15 129.241 0.300 . 1 . . . A 73 LYS N . 18653 1 953 . 1 1 77 77 ASP H H 1 8.664 0.020 . 1 . . . A 74 ASP H . 18653 1 954 . 1 1 77 77 ASP HA H 1 4.241 0.020 . 1 . . . A 74 ASP HA . 18653 1 955 . 1 1 77 77 ASP HB2 H 1 3.084 0.020 . 1 . . . A 74 ASP HB2 . 18653 1 956 . 1 1 77 77 ASP HB3 H 1 2.883 0.020 . 1 . . . A 74 ASP HB3 . 18653 1 957 . 1 1 77 77 ASP C C 13 174.563 0.300 . 1 . . . A 74 ASP C . 18653 1 958 . 1 1 77 77 ASP CA C 13 57.465 0.300 . 1 . . . A 74 ASP CA . 18653 1 959 . 1 1 77 77 ASP CB C 13 39.562 0.300 . 1 . . . A 74 ASP CB . 18653 1 960 . 1 1 77 77 ASP N N 15 119.358 0.300 . 1 . . . A 74 ASP N . 18653 1 961 . 1 1 78 78 VAL H H 1 8.167 0.020 . 1 . . . A 75 VAL H . 18653 1 962 . 1 1 78 78 VAL HA H 1 3.987 0.020 . 1 . . . A 75 VAL HA . 18653 1 963 . 1 1 78 78 VAL HB H 1 1.557 0.020 . 1 . . . A 75 VAL HB . 18653 1 964 . 1 1 78 78 VAL HG11 H 1 0.623 0.020 . 1 . . . A 75 VAL HG11 . 18653 1 965 . 1 1 78 78 VAL HG12 H 1 0.623 0.020 . 1 . . . A 75 VAL HG12 . 18653 1 966 . 1 1 78 78 VAL HG13 H 1 0.623 0.020 . 1 . . . A 75 VAL HG13 . 18653 1 967 . 1 1 78 78 VAL HG21 H 1 0.791 0.020 . 1 . . . A 75 VAL HG21 . 18653 1 968 . 1 1 78 78 VAL HG22 H 1 0.791 0.020 . 1 . . . A 75 VAL HG22 . 18653 1 969 . 1 1 78 78 VAL HG23 H 1 0.791 0.020 . 1 . . . A 75 VAL HG23 . 18653 1 970 . 1 1 78 78 VAL C C 13 175.786 0.300 . 1 . . . A 75 VAL C . 18653 1 971 . 1 1 78 78 VAL CA C 13 64.441 0.300 . 1 . . . A 75 VAL CA . 18653 1 972 . 1 1 78 78 VAL CB C 13 34.605 0.300 . 1 . . . A 75 VAL CB . 18653 1 973 . 1 1 78 78 VAL CG1 C 13 20.298 0.300 . 1 . . . A 75 VAL CG1 . 18653 1 974 . 1 1 78 78 VAL CG2 C 13 21.570 0.300 . 1 . . . A 75 VAL CG2 . 18653 1 975 . 1 1 78 78 VAL N N 15 121.221 0.300 . 1 . . . A 75 VAL N . 18653 1 976 . 1 1 79 79 GLY H H 1 8.112 0.020 . 1 . . . A 76 GLY H . 18653 1 977 . 1 1 79 79 GLY HA2 H 1 3.042 0.020 . 1 . . . A 76 GLY HA2 . 18653 1 978 . 1 1 79 79 GLY HA3 H 1 4.443 0.020 . 1 . . . A 76 GLY HA3 . 18653 1 979 . 1 1 79 79 GLY C C 13 172.474 0.300 . 1 . . . A 76 GLY C . 18653 1 980 . 1 1 79 79 GLY CA C 13 42.908 0.300 . 1 . . . A 76 GLY CA . 18653 1 981 . 1 1 79 79 GLY N N 15 107.603 0.300 . 1 . . . A 76 GLY N . 18653 1 982 . 1 1 80 80 PHE H H 1 8.573 0.020 . 1 . . . A 77 PHE H . 18653 1 983 . 1 1 80 80 PHE HA H 1 4.706 0.020 . 1 . . . A 77 PHE HA . 18653 1 984 . 1 1 80 80 PHE HB2 H 1 2.802 0.020 . 1 . . . A 77 PHE HB2 . 18653 1 985 . 1 1 80 80 PHE HB3 H 1 2.675 0.020 . 1 . . . A 77 PHE HB3 . 18653 1 986 . 1 1 80 80 PHE HD1 H 1 7.178 0.020 . 1 . . . A 77 PHE HD1 . 18653 1 987 . 1 1 80 80 PHE HD2 H 1 7.178 0.020 . 1 . . . A 77 PHE HD2 . 18653 1 988 . 1 1 80 80 PHE C C 13 176.399 0.300 . 1 . . . A 77 PHE C . 18653 1 989 . 1 1 80 80 PHE CA C 13 60.294 0.300 . 1 . . . A 77 PHE CA . 18653 1 990 . 1 1 80 80 PHE CB C 13 39.575 0.300 . 1 . . . A 77 PHE CB . 18653 1 991 . 1 1 80 80 PHE N N 15 117.575 0.300 . 1 . . . A 77 PHE N . 18653 1 992 . 1 1 81 81 VAL H H 1 9.441 0.020 . 1 . . . A 78 VAL H . 18653 1 993 . 1 1 81 81 VAL HA H 1 4.014 0.020 . 1 . . . A 78 VAL HA . 18653 1 994 . 1 1 81 81 VAL HB H 1 1.823 0.020 . 1 . . . A 78 VAL HB . 18653 1 995 . 1 1 81 81 VAL HG11 H 1 0.743 0.020 . 1 . . . A 78 VAL HG11 . 18653 1 996 . 1 1 81 81 VAL HG12 H 1 0.743 0.020 . 1 . . . A 78 VAL HG12 . 18653 1 997 . 1 1 81 81 VAL HG13 H 1 0.743 0.020 . 1 . . . A 78 VAL HG13 . 18653 1 998 . 1 1 81 81 VAL HG21 H 1 0.917 0.020 . 1 . . . A 78 VAL HG21 . 18653 1 999 . 1 1 81 81 VAL HG22 H 1 0.917 0.020 . 1 . . . A 78 VAL HG22 . 18653 1 1000 . 1 1 81 81 VAL HG23 H 1 0.917 0.020 . 1 . . . A 78 VAL HG23 . 18653 1 1001 . 1 1 81 81 VAL C C 13 174.833 0.300 . 1 . . . A 78 VAL C . 18653 1 1002 . 1 1 81 81 VAL CA C 13 61.897 0.300 . 1 . . . A 78 VAL CA . 18653 1 1003 . 1 1 81 81 VAL CB C 13 36.111 0.300 . 1 . . . A 78 VAL CB . 18653 1 1004 . 1 1 81 81 VAL CG1 C 13 21.623 0.300 . 1 . . . A 78 VAL CG1 . 18653 1 1005 . 1 1 81 81 VAL CG2 C 13 21.111 0.300 . 1 . . . A 78 VAL CG2 . 18653 1 1006 . 1 1 81 81 VAL N N 15 127.472 0.300 . 1 . . . A 78 VAL N . 18653 1 1007 . 1 1 82 82 GLU H H 1 8.961 0.020 . 1 . . . A 79 GLU H . 18653 1 1008 . 1 1 82 82 GLU HA H 1 3.687 0.020 . 1 . . . A 79 GLU HA . 18653 1 1009 . 1 1 82 82 GLU HB2 H 1 2.202 0.020 . 1 . . . A 79 GLU HB2 . 18653 1 1010 . 1 1 82 82 GLU HB3 H 1 1.762 0.020 . 1 . . . A 79 GLU HB3 . 18653 1 1011 . 1 1 82 82 GLU HG2 H 1 2.415 0.020 . 1 . . . A 79 GLU HG2 . 18653 1 1012 . 1 1 82 82 GLU HG3 H 1 2.215 0.020 . 1 . . . A 79 GLU HG3 . 18653 1 1013 . 1 1 82 82 GLU C C 13 178.084 0.300 . 1 . . . A 79 GLU C . 18653 1 1014 . 1 1 82 82 GLU CA C 13 58.625 0.300 . 1 . . . A 79 GLU CA . 18653 1 1015 . 1 1 82 82 GLU CB C 13 29.502 0.300 . 1 . . . A 79 GLU CB . 18653 1 1016 . 1 1 82 82 GLU CG C 13 37.143 0.300 . 1 . . . A 79 GLU CG . 18653 1 1017 . 1 1 82 82 GLU N N 15 126.727 0.300 . 1 . . . A 79 GLU N . 18653 1 1018 . 1 1 83 83 ALA H H 1 9.111 0.020 . 1 . . . A 80 ALA H . 18653 1 1019 . 1 1 83 83 ALA HA H 1 3.745 0.020 . 1 . . . A 80 ALA HA . 18653 1 1020 . 1 1 83 83 ALA HB1 H 1 1.586 0.020 . 1 . . . A 80 ALA HB1 . 18653 1 1021 . 1 1 83 83 ALA HB2 H 1 1.586 0.020 . 1 . . . A 80 ALA HB2 . 18653 1 1022 . 1 1 83 83 ALA HB3 H 1 1.586 0.020 . 1 . . . A 80 ALA HB3 . 18653 1 1023 . 1 1 83 83 ALA C C 13 179.404 0.300 . 1 . . . A 80 ALA C . 18653 1 1024 . 1 1 83 83 ALA CA C 13 55.080 0.300 . 1 . . . A 80 ALA CA . 18653 1 1025 . 1 1 83 83 ALA CB C 13 19.536 0.300 . 1 . . . A 80 ALA CB . 18653 1 1026 . 1 1 83 83 ALA N N 15 126.544 0.300 . 1 . . . A 80 ALA N . 18653 1 1027 . 1 1 84 84 GLY H H 1 8.940 0.020 . 1 . . . A 81 GLY H . 18653 1 1028 . 1 1 84 84 GLY HA2 H 1 2.237 0.020 . 1 . . . A 81 GLY HA2 . 18653 1 1029 . 1 1 84 84 GLY HA3 H 1 3.141 0.020 . 1 . . . A 81 GLY HA3 . 18653 1 1030 . 1 1 84 84 GLY C C 13 175.368 0.300 . 1 . . . A 81 GLY C . 18653 1 1031 . 1 1 84 84 GLY CA C 13 45.684 0.300 . 1 . . . A 81 GLY CA . 18653 1 1032 . 1 1 84 84 GLY N N 15 100.431 0.300 . 1 . . . A 81 GLY N . 18653 1 1033 . 1 1 85 85 LYS H H 1 8.327 0.020 . 1 . . . A 82 LYS H . 18653 1 1034 . 1 1 85 85 LYS HA H 1 4.228 0.020 . 1 . . . A 82 LYS HA . 18653 1 1035 . 1 1 85 85 LYS HB2 H 1 1.788 0.020 . 1 . . . A 82 LYS HB2 . 18653 1 1036 . 1 1 85 85 LYS HB3 H 1 1.938 0.020 . 1 . . . A 82 LYS HB3 . 18653 1 1037 . 1 1 85 85 LYS HG2 H 1 1.310 0.020 . 1 . . . A 82 LYS HG2 . 18653 1 1038 . 1 1 85 85 LYS HG3 H 1 1.310 0.020 . 1 . . . A 82 LYS HG3 . 18653 1 1039 . 1 1 85 85 LYS HD2 H 1 1.682 0.020 . 1 . . . A 82 LYS HD2 . 18653 1 1040 . 1 1 85 85 LYS HD3 H 1 1.682 0.020 . 1 . . . A 82 LYS HD3 . 18653 1 1041 . 1 1 85 85 LYS HE2 H 1 2.975 0.020 . 1 . . . A 82 LYS HE2 . 18653 1 1042 . 1 1 85 85 LYS HE3 H 1 2.975 0.020 . 1 . . . A 82 LYS HE3 . 18653 1 1043 . 1 1 85 85 LYS C C 13 177.213 0.300 . 1 . . . A 82 LYS C . 18653 1 1044 . 1 1 85 85 LYS CA C 13 55.494 0.300 . 1 . . . A 82 LYS CA . 18653 1 1045 . 1 1 85 85 LYS CB C 13 32.936 0.300 . 1 . . . A 82 LYS CB . 18653 1 1046 . 1 1 85 85 LYS CG C 13 25.803 0.300 . 1 . . . A 82 LYS CG . 18653 1 1047 . 1 1 85 85 LYS CD C 13 29.244 0.300 . 1 . . . A 82 LYS CD . 18653 1 1048 . 1 1 85 85 LYS CE C 13 42.284 0.300 . 1 . . . A 82 LYS CE . 18653 1 1049 . 1 1 85 85 LYS N N 15 119.913 0.300 . 1 . . . A 82 LYS N . 18653 1 1050 . 1 1 86 86 LEU H H 1 7.355 0.020 . 1 . . . A 83 LEU H . 18653 1 1051 . 1 1 86 86 LEU HA H 1 4.188 0.020 . 1 . . . A 83 LEU HA . 18653 1 1052 . 1 1 86 86 LEU HB2 H 1 1.792 0.020 . 1 . . . A 83 LEU HB2 . 18653 1 1053 . 1 1 86 86 LEU HB3 H 1 1.121 0.020 . 1 . . . A 83 LEU HB3 . 18653 1 1054 . 1 1 86 86 LEU HG H 1 1.778 0.020 . 1 . . . A 83 LEU HG . 18653 1 1055 . 1 1 86 86 LEU HD11 H 1 0.720 0.020 . 1 . . . A 83 LEU HD11 . 18653 1 1056 . 1 1 86 86 LEU HD12 H 1 0.720 0.020 . 1 . . . A 83 LEU HD12 . 18653 1 1057 . 1 1 86 86 LEU HD13 H 1 0.720 0.020 . 1 . . . A 83 LEU HD13 . 18653 1 1058 . 1 1 86 86 LEU HD21 H 1 0.504 0.020 . 1 . . . A 83 LEU HD21 . 18653 1 1059 . 1 1 86 86 LEU HD22 H 1 0.504 0.020 . 1 . . . A 83 LEU HD22 . 18653 1 1060 . 1 1 86 86 LEU HD23 H 1 0.504 0.020 . 1 . . . A 83 LEU HD23 . 18653 1 1061 . 1 1 86 86 LEU C C 13 175.876 0.300 . 1 . . . A 83 LEU C . 18653 1 1062 . 1 1 86 86 LEU CA C 13 55.397 0.300 . 1 . . . A 83 LEU CA . 18653 1 1063 . 1 1 86 86 LEU CB C 13 42.944 0.300 . 1 . . . A 83 LEU CB . 18653 1 1064 . 1 1 86 86 LEU CG C 13 26.588 0.300 . 1 . . . A 83 LEU CG . 18653 1 1065 . 1 1 86 86 LEU CD1 C 13 23.505 0.300 . 1 . . . A 83 LEU CD1 . 18653 1 1066 . 1 1 86 86 LEU CD2 C 13 26.597 0.300 . 1 . . . A 83 LEU CD2 . 18653 1 1067 . 1 1 86 86 LEU N N 15 122.117 0.300 . 1 . . . A 83 LEU N . 18653 1 1068 . 1 1 87 87 GLN H H 1 9.242 0.020 . 1 . . . A 84 GLN H . 18653 1 1069 . 1 1 87 87 GLN HA H 1 4.544 0.020 . 1 . . . A 84 GLN HA . 18653 1 1070 . 1 1 87 87 GLN HB2 H 1 1.988 0.020 . 1 . . . A 84 GLN HB2 . 18653 1 1071 . 1 1 87 87 GLN HB3 H 1 1.707 0.020 . 1 . . . A 84 GLN HB3 . 18653 1 1072 . 1 1 87 87 GLN HG2 H 1 2.382 0.020 . 1 . . . A 84 GLN HG2 . 18653 1 1073 . 1 1 87 87 GLN HG3 H 1 2.244 0.020 . 1 . . . A 84 GLN HG3 . 18653 1 1074 . 1 1 87 87 GLN HE21 H 1 6.761 0.020 . 1 . . . A 84 GLN HE21 . 18653 1 1075 . 1 1 87 87 GLN HE22 H 1 7.406 0.020 . 1 . . . A 84 GLN HE22 . 18653 1 1076 . 1 1 87 87 GLN C C 13 175.914 0.300 . 1 . . . A 84 GLN C . 18653 1 1077 . 1 1 87 87 GLN CA C 13 52.682 0.300 . 1 . . . A 84 GLN CA . 18653 1 1078 . 1 1 87 87 GLN CB C 13 31.437 0.300 . 1 . . . A 84 GLN CB . 18653 1 1079 . 1 1 87 87 GLN CG C 13 33.480 0.300 . 1 . . . A 84 GLN CG . 18653 1 1080 . 1 1 87 87 GLN N N 15 120.055 0.300 . 1 . . . A 84 GLN N . 18653 1 1081 . 1 1 87 87 GLN NE2 N 15 112.750 0.300 . 1 . . . A 84 GLN NE2 . 18653 1 1082 . 1 1 88 88 VAL H H 1 8.513 0.020 . 1 . . . A 85 VAL H . 18653 1 1083 . 1 1 88 88 VAL HA H 1 3.298 0.020 . 1 . . . A 85 VAL HA . 18653 1 1084 . 1 1 88 88 VAL HB H 1 1.856 0.020 . 1 . . . A 85 VAL HB . 18653 1 1085 . 1 1 88 88 VAL HG11 H 1 0.894 0.020 . 1 . . . A 85 VAL HG11 . 18653 1 1086 . 1 1 88 88 VAL HG12 H 1 0.894 0.020 . 1 . . . A 85 VAL HG12 . 18653 1 1087 . 1 1 88 88 VAL HG13 H 1 0.894 0.020 . 1 . . . A 85 VAL HG13 . 18653 1 1088 . 1 1 88 88 VAL HG21 H 1 0.856 0.020 . 1 . . . A 85 VAL HG21 . 18653 1 1089 . 1 1 88 88 VAL HG22 H 1 0.856 0.020 . 1 . . . A 85 VAL HG22 . 18653 1 1090 . 1 1 88 88 VAL HG23 H 1 0.856 0.020 . 1 . . . A 85 VAL HG23 . 18653 1 1091 . 1 1 88 88 VAL C C 13 177.712 0.300 . 1 . . . A 85 VAL C . 18653 1 1092 . 1 1 88 88 VAL CA C 13 65.539 0.300 . 1 . . . A 85 VAL CA . 18653 1 1093 . 1 1 88 88 VAL CB C 13 31.087 0.300 . 1 . . . A 85 VAL CB . 18653 1 1094 . 1 1 88 88 VAL CG1 C 13 21.000 0.300 . 1 . . . A 85 VAL CG1 . 18653 1 1095 . 1 1 88 88 VAL CG2 C 13 22.370 0.300 . 1 . . . A 85 VAL CG2 . 18653 1 1096 . 1 1 88 88 VAL N N 15 121.635 0.300 . 1 . . . A 85 VAL N . 18653 1 1097 . 1 1 89 89 GLY H H 1 9.284 0.020 . 1 . . . A 86 GLY H . 18653 1 1098 . 1 1 89 89 GLY HA2 H 1 3.426 0.020 . 1 . . . A 86 GLY HA2 . 18653 1 1099 . 1 1 89 89 GLY HA3 H 1 4.487 0.020 . 1 . . . A 86 GLY HA3 . 18653 1 1100 . 1 1 89 89 GLY C C 13 174.555 0.300 . 1 . . . A 86 GLY C . 18653 1 1101 . 1 1 89 89 GLY CA C 13 44.652 0.300 . 1 . . . A 86 GLY CA . 18653 1 1102 . 1 1 89 89 GLY N N 15 117.281 0.300 . 1 . . . A 86 GLY N . 18653 1 1103 . 1 1 90 90 ASP H H 1 8.272 0.020 . 1 . . . A 87 ASP H . 18653 1 1104 . 1 1 90 90 ASP HA H 1 4.626 0.020 . 1 . . . A 87 ASP HA . 18653 1 1105 . 1 1 90 90 ASP HB2 H 1 2.361 0.020 . 1 . . . A 87 ASP HB2 . 18653 1 1106 . 1 1 90 90 ASP HB3 H 1 2.808 0.020 . 1 . . . A 87 ASP HB3 . 18653 1 1107 . 1 1 90 90 ASP C C 13 175.196 0.300 . 1 . . . A 87 ASP C . 18653 1 1108 . 1 1 90 90 ASP CA C 13 55.989 0.300 . 1 . . . A 87 ASP CA . 18653 1 1109 . 1 1 90 90 ASP CB C 13 41.129 0.300 . 1 . . . A 87 ASP CB . 18653 1 1110 . 1 1 90 90 ASP N N 15 123.215 0.300 . 1 . . . A 87 ASP N . 18653 1 1111 . 1 1 91 91 LYS H H 1 8.104 0.020 . 1 . . . A 88 LYS H . 18653 1 1112 . 1 1 91 91 LYS HA H 1 4.676 0.020 . 1 . . . A 88 LYS HA . 18653 1 1113 . 1 1 91 91 LYS HB2 H 1 1.578 0.020 . 1 . . . A 88 LYS HB2 . 18653 1 1114 . 1 1 91 91 LYS HB3 H 1 1.917 0.020 . 1 . . . A 88 LYS HB3 . 18653 1 1115 . 1 1 91 91 LYS HG2 H 1 1.248 0.020 . 1 . . . A 88 LYS HG2 . 18653 1 1116 . 1 1 91 91 LYS HG3 H 1 1.687 0.020 . 1 . . . A 88 LYS HG3 . 18653 1 1117 . 1 1 91 91 LYS HD2 H 1 1.670 0.020 . 1 . . . A 88 LYS HD2 . 18653 1 1118 . 1 1 91 91 LYS HD3 H 1 1.670 0.020 . 1 . . . A 88 LYS HD3 . 18653 1 1119 . 1 1 91 91 LYS HE2 H 1 2.989 0.020 . 1 . . . A 88 LYS HE2 . 18653 1 1120 . 1 1 91 91 LYS HE3 H 1 2.989 0.020 . 1 . . . A 88 LYS HE3 . 18653 1 1121 . 1 1 91 91 LYS C C 13 173.591 0.300 . 1 . . . A 88 LYS C . 18653 1 1122 . 1 1 91 91 LYS CA C 13 56.021 0.300 . 1 . . . A 88 LYS CA . 18653 1 1123 . 1 1 91 91 LYS CB C 13 34.093 0.300 . 1 . . . A 88 LYS CB . 18653 1 1124 . 1 1 91 91 LYS CG C 13 25.318 0.300 . 1 . . . A 88 LYS CG . 18653 1 1125 . 1 1 91 91 LYS CD C 13 29.727 0.300 . 1 . . . A 88 LYS CD . 18653 1 1126 . 1 1 91 91 LYS CE C 13 42.269 0.300 . 1 . . . A 88 LYS CE . 18653 1 1127 . 1 1 91 91 LYS N N 15 119.333 0.300 . 1 . . . A 88 LYS N . 18653 1 1128 . 1 1 92 92 LEU H H 1 9.117 0.020 . 1 . . . A 89 LEU H . 18653 1 1129 . 1 1 92 92 LEU HA H 1 5.293 0.020 . 1 . . . A 89 LEU HA . 18653 1 1130 . 1 1 92 92 LEU HB2 H 1 2.501 0.020 . 1 . . . A 89 LEU HB2 . 18653 1 1131 . 1 1 92 92 LEU HB3 H 1 1.453 0.020 . 1 . . . A 89 LEU HB3 . 18653 1 1132 . 1 1 92 92 LEU HG H 1 1.850 0.020 . 1 . . . A 89 LEU HG . 18653 1 1133 . 1 1 92 92 LEU HD11 H 1 0.907 0.020 . 1 . . . A 89 LEU HD11 . 18653 1 1134 . 1 1 92 92 LEU HD12 H 1 0.907 0.020 . 1 . . . A 89 LEU HD12 . 18653 1 1135 . 1 1 92 92 LEU HD13 H 1 0.907 0.020 . 1 . . . A 89 LEU HD13 . 18653 1 1136 . 1 1 92 92 LEU HD21 H 1 0.912 0.020 . 1 . . . A 89 LEU HD21 . 18653 1 1137 . 1 1 92 92 LEU HD22 H 1 0.912 0.020 . 1 . . . A 89 LEU HD22 . 18653 1 1138 . 1 1 92 92 LEU HD23 H 1 0.912 0.020 . 1 . . . A 89 LEU HD23 . 18653 1 1139 . 1 1 92 92 LEU C C 13 175.843 0.300 . 1 . . . A 89 LEU C . 18653 1 1140 . 1 1 92 92 LEU CA C 13 53.001 0.300 . 1 . . . A 89 LEU CA . 18653 1 1141 . 1 1 92 92 LEU CB C 13 42.417 0.300 . 1 . . . A 89 LEU CB . 18653 1 1142 . 1 1 92 92 LEU CG C 13 28.120 0.300 . 1 . . . A 89 LEU CG . 18653 1 1143 . 1 1 92 92 LEU CD1 C 13 27.612 0.300 . 1 . . . A 89 LEU CD1 . 18653 1 1144 . 1 1 92 92 LEU CD2 C 13 24.763 0.300 . 1 . . . A 89 LEU CD2 . 18653 1 1145 . 1 1 92 92 LEU N N 15 126.865 0.300 . 1 . . . A 89 LEU N . 18653 1 1146 . 1 1 93 93 LEU H H 1 9.017 0.020 . 1 . . . A 90 LEU H . 18653 1 1147 . 1 1 93 93 LEU HA H 1 5.577 0.020 . 1 . . . A 90 LEU HA . 18653 1 1148 . 1 1 93 93 LEU HB2 H 1 1.673 0.020 . 1 . . . A 90 LEU HB2 . 18653 1 1149 . 1 1 93 93 LEU HB3 H 1 1.671 0.020 . 1 . . . A 90 LEU HB3 . 18653 1 1150 . 1 1 93 93 LEU HG H 1 1.663 0.020 . 1 . . . A 90 LEU HG . 18653 1 1151 . 1 1 93 93 LEU HD11 H 1 0.786 0.020 . 1 . . . A 90 LEU HD11 . 18653 1 1152 . 1 1 93 93 LEU HD12 H 1 0.786 0.020 . 1 . . . A 90 LEU HD12 . 18653 1 1153 . 1 1 93 93 LEU HD13 H 1 0.786 0.020 . 1 . . . A 90 LEU HD13 . 18653 1 1154 . 1 1 93 93 LEU HD21 H 1 0.760 0.020 . 1 . . . A 90 LEU HD21 . 18653 1 1155 . 1 1 93 93 LEU HD22 H 1 0.760 0.020 . 1 . . . A 90 LEU HD22 . 18653 1 1156 . 1 1 93 93 LEU HD23 H 1 0.760 0.020 . 1 . . . A 90 LEU HD23 . 18653 1 1157 . 1 1 93 93 LEU C C 13 176.493 0.300 . 1 . . . A 90 LEU C . 18653 1 1158 . 1 1 93 93 LEU CA C 13 53.530 0.300 . 1 . . . A 90 LEU CA . 18653 1 1159 . 1 1 93 93 LEU CB C 13 48.694 0.300 . 1 . . . A 90 LEU CB . 18653 1 1160 . 1 1 93 93 LEU CG C 13 27.533 0.300 . 1 . . . A 90 LEU CG . 18653 1 1161 . 1 1 93 93 LEU CD1 C 13 26.554 0.300 . 1 . . . A 90 LEU CD1 . 18653 1 1162 . 1 1 93 93 LEU CD2 C 13 24.855 0.300 . 1 . . . A 90 LEU CD2 . 18653 1 1163 . 1 1 93 93 LEU N N 15 118.596 0.300 . 1 . . . A 90 LEU N . 18653 1 1164 . 1 1 94 94 ASP H H 1 8.206 0.020 . 1 . . . A 91 ASP H . 18653 1 1165 . 1 1 94 94 ASP HA H 1 5.688 0.020 . 1 . . . A 91 ASP HA . 18653 1 1166 . 1 1 94 94 ASP HB2 H 1 2.661 0.020 . 1 . . . A 91 ASP HB2 . 18653 1 1167 . 1 1 94 94 ASP HB3 H 1 3.483 0.020 . 1 . . . A 91 ASP HB3 . 18653 1 1168 . 1 1 94 94 ASP C C 13 179.778 0.300 . 1 . . . A 91 ASP C . 18653 1 1169 . 1 1 94 94 ASP CA C 13 51.523 0.300 . 1 . . . A 91 ASP CA . 18653 1 1170 . 1 1 94 94 ASP CB C 13 43.270 0.300 . 1 . . . A 91 ASP CB . 18653 1 1171 . 1 1 94 94 ASP N N 15 118.536 0.300 . 1 . . . A 91 ASP N . 18653 1 1172 . 1 1 95 95 SER H H 1 7.111 0.020 . 1 . . . A 92 SER H . 18653 1 1173 . 1 1 95 95 SER HA H 1 3.882 0.020 . 1 . . . A 92 SER HA . 18653 1 1174 . 1 1 95 95 SER HB2 H 1 3.235 0.020 . 1 . . . A 92 SER HB2 . 18653 1 1175 . 1 1 95 95 SER HB3 H 1 2.721 0.020 . 1 . . . A 92 SER HB3 . 18653 1 1176 . 1 1 95 95 SER C C 13 174.936 0.300 . 1 . . . A 92 SER C . 18653 1 1177 . 1 1 95 95 SER CA C 13 60.974 0.300 . 1 . . . A 92 SER CA . 18653 1 1178 . 1 1 95 95 SER CB C 13 62.085 0.300 . 1 . . . A 92 SER CB . 18653 1 1179 . 1 1 95 95 SER N N 15 111.385 0.300 . 1 . . . A 92 SER N . 18653 1 1180 . 1 1 96 96 ARG H H 1 8.271 0.020 . 1 . . . A 93 ARG H . 18653 1 1181 . 1 1 96 96 ARG HA H 1 4.449 0.020 . 1 . . . A 93 ARG HA . 18653 1 1182 . 1 1 96 96 ARG HB2 H 1 1.623 0.020 . 1 . . . A 93 ARG HB2 . 18653 1 1183 . 1 1 96 96 ARG HB3 H 1 2.044 0.020 . 1 . . . A 93 ARG HB3 . 18653 1 1184 . 1 1 96 96 ARG HG2 H 1 1.498 0.020 . 1 . . . A 93 ARG HG2 . 18653 1 1185 . 1 1 96 96 ARG HG3 H 1 1.565 0.020 . 1 . . . A 93 ARG HG3 . 18653 1 1186 . 1 1 96 96 ARG HD2 H 1 3.021 0.020 . 1 . . . A 93 ARG HD2 . 18653 1 1187 . 1 1 96 96 ARG HD3 H 1 3.176 0.020 . 1 . . . A 93 ARG HD3 . 18653 1 1188 . 1 1 96 96 ARG HE H 1 7.188 0.020 . 1 . . . A 93 ARG HE . 18653 1 1189 . 1 1 96 96 ARG C C 13 176.383 0.300 . 1 . . . A 93 ARG C . 18653 1 1190 . 1 1 96 96 ARG CA C 13 55.420 0.300 . 1 . . . A 93 ARG CA . 18653 1 1191 . 1 1 96 96 ARG CB C 13 30.641 0.300 . 1 . . . A 93 ARG CB . 18653 1 1192 . 1 1 96 96 ARG CG C 13 27.534 0.300 . 1 . . . A 93 ARG CG . 18653 1 1193 . 1 1 96 96 ARG CD C 13 43.086 0.300 . 1 . . . A 93 ARG CD . 18653 1 1194 . 1 1 96 96 ARG N N 15 122.505 0.300 . 1 . . . A 93 ARG N . 18653 1 1195 . 1 1 96 96 ARG NE N 15 84.540 0.300 . 1 . . . A 93 ARG NE . 18653 1 1196 . 1 1 97 97 GLY H H 1 7.991 0.020 . 1 . . . A 94 GLY H . 18653 1 1197 . 1 1 97 97 GLY HA2 H 1 4.120 0.020 . 1 . . . A 94 GLY HA2 . 18653 1 1198 . 1 1 97 97 GLY HA3 H 1 3.549 0.020 . 1 . . . A 94 GLY HA3 . 18653 1 1199 . 1 1 97 97 GLY C C 13 174.278 0.300 . 1 . . . A 94 GLY C . 18653 1 1200 . 1 1 97 97 GLY CA C 13 45.801 0.300 . 1 . . . A 94 GLY CA . 18653 1 1201 . 1 1 97 97 GLY N N 15 108.487 0.300 . 1 . . . A 94 GLY N . 18653 1 1202 . 1 1 98 98 ASN H H 1 8.928 0.020 . 1 . . . A 95 ASN H . 18653 1 1203 . 1 1 98 98 ASN HA H 1 4.675 0.020 . 1 . . . A 95 ASN HA . 18653 1 1204 . 1 1 98 98 ASN HB2 H 1 2.919 0.020 . 1 . . . A 95 ASN HB2 . 18653 1 1205 . 1 1 98 98 ASN HB3 H 1 2.613 0.020 . 1 . . . A 95 ASN HB3 . 18653 1 1206 . 1 1 98 98 ASN HD21 H 1 6.985 0.020 . 1 . . . A 95 ASN HD21 . 18653 1 1207 . 1 1 98 98 ASN HD22 H 1 8.738 0.020 . 1 . . . A 95 ASN HD22 . 18653 1 1208 . 1 1 98 98 ASN C C 13 173.823 0.300 . 1 . . . A 95 ASN C . 18653 1 1209 . 1 1 98 98 ASN CA C 13 52.759 0.300 . 1 . . . A 95 ASN CA . 18653 1 1210 . 1 1 98 98 ASN CB C 13 39.030 0.300 . 1 . . . A 95 ASN CB . 18653 1 1211 . 1 1 98 98 ASN N N 15 120.477 0.300 . 1 . . . A 95 ASN N . 18653 1 1212 . 1 1 98 98 ASN ND2 N 15 118.711 0.300 . 1 . . . A 95 ASN ND2 . 18653 1 1213 . 1 1 99 99 VAL H H 1 8.088 0.020 . 1 . . . A 96 VAL H . 18653 1 1214 . 1 1 99 99 VAL HA H 1 4.815 0.020 . 1 . . . A 96 VAL HA . 18653 1 1215 . 1 1 99 99 VAL HB H 1 1.878 0.020 . 1 . . . A 96 VAL HB . 18653 1 1216 . 1 1 99 99 VAL HG11 H 1 0.966 0.020 . 1 . . . A 96 VAL HG11 . 18653 1 1217 . 1 1 99 99 VAL HG12 H 1 0.966 0.020 . 1 . . . A 96 VAL HG12 . 18653 1 1218 . 1 1 99 99 VAL HG13 H 1 0.966 0.020 . 1 . . . A 96 VAL HG13 . 18653 1 1219 . 1 1 99 99 VAL HG21 H 1 0.915 0.020 . 1 . . . A 96 VAL HG21 . 18653 1 1220 . 1 1 99 99 VAL HG22 H 1 0.915 0.020 . 1 . . . A 96 VAL HG22 . 18653 1 1221 . 1 1 99 99 VAL HG23 H 1 0.915 0.020 . 1 . . . A 96 VAL HG23 . 18653 1 1222 . 1 1 99 99 VAL C C 13 176.489 0.300 . 1 . . . A 96 VAL C . 18653 1 1223 . 1 1 99 99 VAL CA C 13 62.039 0.300 . 1 . . . A 96 VAL CA . 18653 1 1224 . 1 1 99 99 VAL CB C 13 32.955 0.300 . 1 . . . A 96 VAL CB . 18653 1 1225 . 1 1 99 99 VAL CG1 C 13 21.808 0.300 . 1 . . . A 96 VAL CG1 . 18653 1 1226 . 1 1 99 99 VAL N N 15 118.594 0.300 . 1 . . . A 96 VAL N . 18653 1 1227 . 1 1 100 100 LEU H H 1 8.637 0.020 . 1 . . . A 97 LEU H . 18653 1 1228 . 1 1 100 100 LEU HA H 1 4.676 0.020 . 1 . . . A 97 LEU HA . 18653 1 1229 . 1 1 100 100 LEU HB2 H 1 1.338 0.020 . 1 . . . A 97 LEU HB2 . 18653 1 1230 . 1 1 100 100 LEU HB3 H 1 1.282 0.020 . 1 . . . A 97 LEU HB3 . 18653 1 1231 . 1 1 100 100 LEU HG H 1 1.536 0.020 . 1 . . . A 97 LEU HG . 18653 1 1232 . 1 1 100 100 LEU HD11 H 1 0.889 0.020 . 1 . . . A 97 LEU HD11 . 18653 1 1233 . 1 1 100 100 LEU HD12 H 1 0.889 0.020 . 1 . . . A 97 LEU HD12 . 18653 1 1234 . 1 1 100 100 LEU HD13 H 1 0.889 0.020 . 1 . . . A 97 LEU HD13 . 18653 1 1235 . 1 1 100 100 LEU HD21 H 1 0.880 0.020 . 1 . . . A 97 LEU HD21 . 18653 1 1236 . 1 1 100 100 LEU HD22 H 1 0.880 0.020 . 1 . . . A 97 LEU HD22 . 18653 1 1237 . 1 1 100 100 LEU HD23 H 1 0.880 0.020 . 1 . . . A 97 LEU HD23 . 18653 1 1238 . 1 1 100 100 LEU C C 13 175.102 0.300 . 1 . . . A 97 LEU C . 18653 1 1239 . 1 1 100 100 LEU CA C 13 52.795 0.300 . 1 . . . A 97 LEU CA . 18653 1 1240 . 1 1 100 100 LEU CB C 13 46.470 0.300 . 1 . . . A 97 LEU CB . 18653 1 1241 . 1 1 100 100 LEU CG C 13 27.196 0.300 . 1 . . . A 97 LEU CG . 18653 1 1242 . 1 1 100 100 LEU CD1 C 13 24.011 0.300 . 1 . . . A 97 LEU CD1 . 18653 1 1243 . 1 1 100 100 LEU CD2 C 13 27.835 0.300 . 1 . . . A 97 LEU CD2 . 18653 1 1244 . 1 1 100 100 LEU N N 15 130.341 0.300 . 1 . . . A 97 LEU N . 18653 1 1245 . 1 1 101 101 VAL H H 1 8.355 0.020 . 1 . . . A 98 VAL H . 18653 1 1246 . 1 1 101 101 VAL HA H 1 5.109 0.020 . 1 . . . A 98 VAL HA . 18653 1 1247 . 1 1 101 101 VAL HB H 1 1.874 0.020 . 1 . . . A 98 VAL HB . 18653 1 1248 . 1 1 101 101 VAL HG11 H 1 0.843 0.020 . 1 . . . A 98 VAL HG11 . 18653 1 1249 . 1 1 101 101 VAL HG12 H 1 0.843 0.020 . 1 . . . A 98 VAL HG12 . 18653 1 1250 . 1 1 101 101 VAL HG13 H 1 0.843 0.020 . 1 . . . A 98 VAL HG13 . 18653 1 1251 . 1 1 101 101 VAL HG21 H 1 0.843 0.020 . 1 . . . A 98 VAL HG21 . 18653 1 1252 . 1 1 101 101 VAL HG22 H 1 0.843 0.020 . 1 . . . A 98 VAL HG22 . 18653 1 1253 . 1 1 101 101 VAL HG23 H 1 0.843 0.020 . 1 . . . A 98 VAL HG23 . 18653 1 1254 . 1 1 101 101 VAL C C 13 176.790 0.300 . 1 . . . A 98 VAL C . 18653 1 1255 . 1 1 101 101 VAL CA C 13 60.637 0.300 . 1 . . . A 98 VAL CA . 18653 1 1256 . 1 1 101 101 VAL CB C 13 34.604 0.300 . 1 . . . A 98 VAL CB . 18653 1 1257 . 1 1 101 101 VAL CG1 C 13 21.533 0.300 . 1 . . . A 98 VAL CG1 . 18653 1 1258 . 1 1 101 101 VAL CG2 C 13 21.604 0.300 . 1 . . . A 98 VAL CG2 . 18653 1 1259 . 1 1 101 101 VAL N N 15 117.731 0.300 . 1 . . . A 98 VAL N . 18653 1 1260 . 1 1 102 102 VAL H H 1 8.368 0.020 . 1 . . . A 99 VAL H . 18653 1 1261 . 1 1 102 102 VAL HA H 1 3.918 0.020 . 1 . . . A 99 VAL HA . 18653 1 1262 . 1 1 102 102 VAL HB H 1 2.316 0.020 . 1 . . . A 99 VAL HB . 18653 1 1263 . 1 1 102 102 VAL HG11 H 1 0.647 0.020 . 1 . . . A 99 VAL HG11 . 18653 1 1264 . 1 1 102 102 VAL HG12 H 1 0.647 0.020 . 1 . . . A 99 VAL HG12 . 18653 1 1265 . 1 1 102 102 VAL HG13 H 1 0.647 0.020 . 1 . . . A 99 VAL HG13 . 18653 1 1266 . 1 1 102 102 VAL HG21 H 1 0.985 0.020 . 1 . . . A 99 VAL HG21 . 18653 1 1267 . 1 1 102 102 VAL HG22 H 1 0.985 0.020 . 1 . . . A 99 VAL HG22 . 18653 1 1268 . 1 1 102 102 VAL HG23 H 1 0.985 0.020 . 1 . . . A 99 VAL HG23 . 18653 1 1269 . 1 1 102 102 VAL C C 13 176.474 0.300 . 1 . . . A 99 VAL C . 18653 1 1270 . 1 1 102 102 VAL CA C 13 64.018 0.300 . 1 . . . A 99 VAL CA . 18653 1 1271 . 1 1 102 102 VAL CB C 13 31.495 0.300 . 1 . . . A 99 VAL CB . 18653 1 1272 . 1 1 102 102 VAL CG1 C 13 21.466 0.300 . 1 . . . A 99 VAL CG1 . 18653 1 1273 . 1 1 102 102 VAL CG2 C 13 22.856 0.300 . 1 . . . A 99 VAL CG2 . 18653 1 1274 . 1 1 102 102 VAL N N 15 123.456 0.300 . 1 . . . A 99 VAL N . 18653 1 1275 . 1 1 103 103 GLU H H 1 9.451 0.020 . 1 . . . A 100 GLU H . 18653 1 1276 . 1 1 103 103 GLU HA H 1 4.366 0.020 . 1 . . . A 100 GLU HA . 18653 1 1277 . 1 1 103 103 GLU HB2 H 1 2.009 0.020 . 1 . . . A 100 GLU HB2 . 18653 1 1278 . 1 1 103 103 GLU HB3 H 1 1.872 0.020 . 1 . . . A 100 GLU HB3 . 18653 1 1279 . 1 1 103 103 GLU HG2 H 1 2.173 0.020 . 1 . . . A 100 GLU HG2 . 18653 1 1280 . 1 1 103 103 GLU HG3 H 1 2.453 0.020 . 1 . . . A 100 GLU HG3 . 18653 1 1281 . 1 1 103 103 GLU C C 13 176.254 0.300 . 1 . . . A 100 GLU C . 18653 1 1282 . 1 1 103 103 GLU CA C 13 57.350 0.300 . 1 . . . A 100 GLU CA . 18653 1 1283 . 1 1 103 103 GLU CB C 13 31.425 0.300 . 1 . . . A 100 GLU CB . 18653 1 1284 . 1 1 103 103 GLU CG C 13 36.310 0.300 . 1 . . . A 100 GLU CG . 18653 1 1285 . 1 1 103 103 GLU N N 15 130.329 0.300 . 1 . . . A 100 GLU N . 18653 1 1286 . 1 1 104 104 GLU H H 1 7.643 0.020 . 1 . . . A 101 GLU H . 18653 1 1287 . 1 1 104 104 GLU HA H 1 4.398 0.020 . 1 . . . A 101 GLU HA . 18653 1 1288 . 1 1 104 104 GLU HB2 H 1 2.051 0.020 . 1 . . . A 101 GLU HB2 . 18653 1 1289 . 1 1 104 104 GLU HB3 H 1 1.896 0.020 . 1 . . . A 101 GLU HB3 . 18653 1 1290 . 1 1 104 104 GLU HG2 H 1 2.214 0.020 . 1 . . . A 101 GLU HG2 . 18653 1 1291 . 1 1 104 104 GLU HG3 H 1 2.214 0.020 . 1 . . . A 101 GLU HG3 . 18653 1 1292 . 1 1 104 104 GLU C C 13 172.937 0.300 . 1 . . . A 101 GLU C . 18653 1 1293 . 1 1 104 104 GLU CA C 13 55.849 0.300 . 1 . . . A 101 GLU CA . 18653 1 1294 . 1 1 104 104 GLU CB C 13 33.140 0.300 . 1 . . . A 101 GLU CB . 18653 1 1295 . 1 1 104 104 GLU CG C 13 36.779 0.300 . 1 . . . A 101 GLU CG . 18653 1 1296 . 1 1 104 104 GLU N N 15 116.505 0.300 . 1 . . . A 101 GLU N . 18653 1 1297 . 1 1 105 105 LYS H H 1 8.684 0.020 . 1 . . . A 102 LYS H . 18653 1 1298 . 1 1 105 105 LYS HA H 1 5.095 0.020 . 1 . . . A 102 LYS HA . 18653 1 1299 . 1 1 105 105 LYS HB2 H 1 1.318 0.020 . 1 . . . A 102 LYS HB2 . 18653 1 1300 . 1 1 105 105 LYS HB3 H 1 1.585 0.020 . 1 . . . A 102 LYS HB3 . 18653 1 1301 . 1 1 105 105 LYS HG2 H 1 1.198 0.020 . 1 . . . A 102 LYS HG2 . 18653 1 1302 . 1 1 105 105 LYS HG3 H 1 0.989 0.020 . 1 . . . A 102 LYS HG3 . 18653 1 1303 . 1 1 105 105 LYS HD2 H 1 1.489 0.020 . 1 . . . A 102 LYS HD2 . 18653 1 1304 . 1 1 105 105 LYS HD3 H 1 1.429 0.020 . 1 . . . A 102 LYS HD3 . 18653 1 1305 . 1 1 105 105 LYS HE2 H 1 2.845 0.020 . 1 . . . A 102 LYS HE2 . 18653 1 1306 . 1 1 105 105 LYS HE3 H 1 2.845 0.020 . 1 . . . A 102 LYS HE3 . 18653 1 1307 . 1 1 105 105 LYS C C 13 174.280 0.300 . 1 . . . A 102 LYS C . 18653 1 1308 . 1 1 105 105 LYS CA C 13 55.581 0.300 . 1 . . . A 102 LYS CA . 18653 1 1309 . 1 1 105 105 LYS CB C 13 35.816 0.300 . 1 . . . A 102 LYS CB . 18653 1 1310 . 1 1 105 105 LYS CG C 13 24.636 0.300 . 1 . . . A 102 LYS CG . 18653 1 1311 . 1 1 105 105 LYS CD C 13 29.522 0.300 . 1 . . . A 102 LYS CD . 18653 1 1312 . 1 1 105 105 LYS CE C 13 42.092 0.300 . 1 . . . A 102 LYS CE . 18653 1 1313 . 1 1 105 105 LYS N N 15 124.218 0.300 . 1 . . . A 102 LYS N . 18653 1 1314 . 1 1 106 106 LYS H H 1 8.774 0.020 . 1 . . . A 103 LYS H . 18653 1 1315 . 1 1 106 106 LYS HA H 1 4.613 0.020 . 1 . . . A 103 LYS HA . 18653 1 1316 . 1 1 106 106 LYS HB2 H 1 1.735 0.020 . 1 . . . A 103 LYS HB2 . 18653 1 1317 . 1 1 106 106 LYS HB3 H 1 1.647 0.020 . 1 . . . A 103 LYS HB3 . 18653 1 1318 . 1 1 106 106 LYS HG2 H 1 1.210 0.020 . 1 . . . A 103 LYS HG2 . 18653 1 1319 . 1 1 106 106 LYS HG3 H 1 1.210 0.020 . 1 . . . A 103 LYS HG3 . 18653 1 1320 . 1 1 106 106 LYS HD2 H 1 1.508 0.020 . 1 . . . A 103 LYS HD2 . 18653 1 1321 . 1 1 106 106 LYS HD3 H 1 1.508 0.020 . 1 . . . A 103 LYS HD3 . 18653 1 1322 . 1 1 106 106 LYS HE2 H 1 2.712 0.020 . 1 . . . A 103 LYS HE2 . 18653 1 1323 . 1 1 106 106 LYS HE3 H 1 2.661 0.020 . 1 . . . A 103 LYS HE3 . 18653 1 1324 . 1 1 106 106 LYS C C 13 173.274 0.300 . 1 . . . A 103 LYS C . 18653 1 1325 . 1 1 106 106 LYS CA C 13 55.377 0.300 . 1 . . . A 103 LYS CA . 18653 1 1326 . 1 1 106 106 LYS CB C 13 36.272 0.300 . 1 . . . A 103 LYS CB . 18653 1 1327 . 1 1 106 106 LYS CG C 13 24.442 0.300 . 1 . . . A 103 LYS CG . 18653 1 1328 . 1 1 106 106 LYS CD C 13 29.194 0.300 . 1 . . . A 103 LYS CD . 18653 1 1329 . 1 1 106 106 LYS CE C 13 41.906 0.300 . 1 . . . A 103 LYS CE . 18653 1 1330 . 1 1 106 106 LYS N N 15 124.775 0.300 . 1 . . . A 103 LYS N . 18653 1 1331 . 1 1 107 107 LEU H H 1 8.644 0.020 . 1 . . . A 104 LEU H . 18653 1 1332 . 1 1 107 107 LEU HA H 1 4.869 0.020 . 1 . . . A 104 LEU HA . 18653 1 1333 . 1 1 107 107 LEU HB2 H 1 1.450 0.020 . 1 . . . A 104 LEU HB2 . 18653 1 1334 . 1 1 107 107 LEU HB3 H 1 1.733 0.020 . 1 . . . A 104 LEU HB3 . 18653 1 1335 . 1 1 107 107 LEU HG H 1 1.471 0.020 . 1 . . . A 104 LEU HG . 18653 1 1336 . 1 1 107 107 LEU HD11 H 1 0.911 0.020 . 1 . . . A 104 LEU HD11 . 18653 1 1337 . 1 1 107 107 LEU HD12 H 1 0.911 0.020 . 1 . . . A 104 LEU HD12 . 18653 1 1338 . 1 1 107 107 LEU HD13 H 1 0.911 0.020 . 1 . . . A 104 LEU HD13 . 18653 1 1339 . 1 1 107 107 LEU HD21 H 1 0.879 0.020 . 1 . . . A 104 LEU HD21 . 18653 1 1340 . 1 1 107 107 LEU HD22 H 1 0.879 0.020 . 1 . . . A 104 LEU HD22 . 18653 1 1341 . 1 1 107 107 LEU HD23 H 1 0.879 0.020 . 1 . . . A 104 LEU HD23 . 18653 1 1342 . 1 1 107 107 LEU C C 13 175.578 0.300 . 1 . . . A 104 LEU C . 18653 1 1343 . 1 1 107 107 LEU CA C 13 54.730 0.300 . 1 . . . A 104 LEU CA . 18653 1 1344 . 1 1 107 107 LEU CB C 13 43.823 0.300 . 1 . . . A 104 LEU CB . 18653 1 1345 . 1 1 107 107 LEU CG C 13 27.713 0.300 . 1 . . . A 104 LEU CG . 18653 1 1346 . 1 1 107 107 LEU CD1 C 13 24.069 0.300 . 1 . . . A 104 LEU CD1 . 18653 1 1347 . 1 1 107 107 LEU CD2 C 13 25.524 0.300 . 1 . . . A 104 LEU CD2 . 18653 1 1348 . 1 1 107 107 LEU N N 15 126.752 0.300 . 1 . . . A 104 LEU N . 18653 1 1349 . 1 1 108 108 GLU H H 1 9.328 0.020 . 1 . . . A 105 GLU H . 18653 1 1350 . 1 1 108 108 GLU HA H 1 4.485 0.020 . 1 . . . A 105 GLU HA . 18653 1 1351 . 1 1 108 108 GLU HB2 H 1 1.945 0.020 . 1 . . . A 105 GLU HB2 . 18653 1 1352 . 1 1 108 108 GLU HB3 H 1 1.442 0.020 . 1 . . . A 105 GLU HB3 . 18653 1 1353 . 1 1 108 108 GLU HG2 H 1 1.841 0.020 . 1 . . . A 105 GLU HG2 . 18653 1 1354 . 1 1 108 108 GLU HG3 H 1 1.946 0.020 . 1 . . . A 105 GLU HG3 . 18653 1 1355 . 1 1 108 108 GLU C C 13 173.738 0.300 . 1 . . . A 105 GLU C . 18653 1 1356 . 1 1 108 108 GLU CA C 13 54.944 0.300 . 1 . . . A 105 GLU CA . 18653 1 1357 . 1 1 108 108 GLU CB C 13 32.979 0.300 . 1 . . . A 105 GLU CB . 18653 1 1358 . 1 1 108 108 GLU CG C 13 35.414 0.300 . 1 . . . A 105 GLU CG . 18653 1 1359 . 1 1 108 108 GLU N N 15 128.879 0.300 . 1 . . . A 105 GLU N . 18653 1 1360 . 1 1 109 109 ILE H H 1 8.415 0.020 . 1 . . . A 106 ILE H . 18653 1 1361 . 1 1 109 109 ILE HA H 1 4.855 0.020 . 1 . . . A 106 ILE HA . 18653 1 1362 . 1 1 109 109 ILE HB H 1 1.834 0.020 . 1 . . . A 106 ILE HB . 18653 1 1363 . 1 1 109 109 ILE HG12 H 1 1.431 0.020 . 1 . . . A 106 ILE HG12 . 18653 1 1364 . 1 1 109 109 ILE HG13 H 1 1.225 0.020 . 1 . . . A 106 ILE HG13 . 18653 1 1365 . 1 1 109 109 ILE HG21 H 1 0.843 0.020 . 1 . . . A 106 ILE HG21 . 18653 1 1366 . 1 1 109 109 ILE HG22 H 1 0.843 0.020 . 1 . . . A 106 ILE HG22 . 18653 1 1367 . 1 1 109 109 ILE HG23 H 1 0.843 0.020 . 1 . . . A 106 ILE HG23 . 18653 1 1368 . 1 1 109 109 ILE HD11 H 1 0.819 0.020 . 1 . . . A 106 ILE HD11 . 18653 1 1369 . 1 1 109 109 ILE HD12 H 1 0.819 0.020 . 1 . . . A 106 ILE HD12 . 18653 1 1370 . 1 1 109 109 ILE HD13 H 1 0.819 0.020 . 1 . . . A 106 ILE HD13 . 18653 1 1371 . 1 1 109 109 ILE C C 13 176.418 0.300 . 1 . . . A 106 ILE C . 18653 1 1372 . 1 1 109 109 ILE CA C 13 59.134 0.300 . 1 . . . A 106 ILE CA . 18653 1 1373 . 1 1 109 109 ILE CB C 13 37.081 0.300 . 1 . . . A 106 ILE CB . 18653 1 1374 . 1 1 109 109 ILE CG1 C 13 27.176 0.300 . 1 . . . A 106 ILE CG1 . 18653 1 1375 . 1 1 109 109 ILE CG2 C 13 17.359 0.300 . 1 . . . A 106 ILE CG2 . 18653 1 1376 . 1 1 109 109 ILE CD1 C 13 11.848 0.300 . 1 . . . A 106 ILE CD1 . 18653 1 1377 . 1 1 109 109 ILE N N 15 126.781 0.300 . 1 . . . A 106 ILE N . 18653 1 1378 . 1 1 110 110 ALA H H 1 9.257 0.020 . 1 . . . A 107 ALA H . 18653 1 1379 . 1 1 110 110 ALA HA H 1 4.498 0.020 . 1 . . . A 107 ALA HA . 18653 1 1380 . 1 1 110 110 ALA HB1 H 1 1.438 0.020 . 1 . . . A 107 ALA HB1 . 18653 1 1381 . 1 1 110 110 ALA HB2 H 1 1.438 0.020 . 1 . . . A 107 ALA HB2 . 18653 1 1382 . 1 1 110 110 ALA HB3 H 1 1.438 0.020 . 1 . . . A 107 ALA HB3 . 18653 1 1383 . 1 1 110 110 ALA C C 13 176.702 0.300 . 1 . . . A 107 ALA C . 18653 1 1384 . 1 1 110 110 ALA CA C 13 51.330 0.300 . 1 . . . A 107 ALA CA . 18653 1 1385 . 1 1 110 110 ALA CB C 13 20.864 0.300 . 1 . . . A 107 ALA CB . 18653 1 1386 . 1 1 110 110 ALA N N 15 133.041 0.300 . 1 . . . A 107 ALA N . 18653 1 1387 . 1 1 111 111 ASP H H 1 8.491 0.020 . 1 . . . A 108 ASP H . 18653 1 1388 . 1 1 111 111 ASP HA H 1 4.347 0.020 . 1 . . . A 108 ASP HA . 18653 1 1389 . 1 1 111 111 ASP HB2 H 1 2.680 0.020 . 1 . . . A 108 ASP HB2 . 18653 1 1390 . 1 1 111 111 ASP HB3 H 1 2.680 0.020 . 1 . . . A 108 ASP HB3 . 18653 1 1391 . 1 1 111 111 ASP C C 13 175.629 0.300 . 1 . . . A 108 ASP C . 18653 1 1392 . 1 1 111 111 ASP CA C 13 55.634 0.300 . 1 . . . A 108 ASP CA . 18653 1 1393 . 1 1 111 111 ASP CB C 13 41.191 0.300 . 1 . . . A 108 ASP CB . 18653 1 1394 . 1 1 111 111 ASP N N 15 118.346 0.300 . 1 . . . A 108 ASP N . 18653 1 1395 . 1 1 112 112 LYS H H 1 7.447 0.020 . 1 . . . A 109 LYS H . 18653 1 1396 . 1 1 112 112 LYS HA H 1 4.697 0.020 . 1 . . . A 109 LYS HA . 18653 1 1397 . 1 1 112 112 LYS HB2 H 1 1.612 0.020 . 1 . . . A 109 LYS HB2 . 18653 1 1398 . 1 1 112 112 LYS HB3 H 1 1.783 0.020 . 1 . . . A 109 LYS HB3 . 18653 1 1399 . 1 1 112 112 LYS HG2 H 1 1.374 0.020 . 1 . . . A 109 LYS HG2 . 18653 1 1400 . 1 1 112 112 LYS HG3 H 1 1.374 0.020 . 1 . . . A 109 LYS HG3 . 18653 1 1401 . 1 1 112 112 LYS HD2 H 1 1.662 0.020 . 1 . . . A 109 LYS HD2 . 18653 1 1402 . 1 1 112 112 LYS HD3 H 1 1.662 0.020 . 1 . . . A 109 LYS HD3 . 18653 1 1403 . 1 1 112 112 LYS HE2 H 1 2.974 0.020 . 1 . . . A 109 LYS HE2 . 18653 1 1404 . 1 1 112 112 LYS HE3 H 1 2.974 0.020 . 1 . . . A 109 LYS HE3 . 18653 1 1405 . 1 1 112 112 LYS C C 13 172.838 0.300 . 1 . . . A 109 LYS C . 18653 1 1406 . 1 1 112 112 LYS CA C 13 52.775 0.300 . 1 . . . A 109 LYS CA . 18653 1 1407 . 1 1 112 112 LYS CB C 13 33.686 0.300 . 1 . . . A 109 LYS CB . 18653 1 1408 . 1 1 112 112 LYS CG C 13 24.122 0.300 . 1 . . . A 109 LYS CG . 18653 1 1409 . 1 1 112 112 LYS CD C 13 29.035 0.300 . 1 . . . A 109 LYS CD . 18653 1 1410 . 1 1 112 112 LYS N N 15 117.102 0.300 . 1 . . . A 109 LYS N . 18653 1 1411 . 1 1 113 113 PRO HA H 1 3.992 0.020 . 1 . . . A 110 PRO HA . 18653 1 1412 . 1 1 113 113 PRO HB2 H 1 1.972 0.020 . 1 . . . A 110 PRO HB2 . 18653 1 1413 . 1 1 113 113 PRO HB3 H 1 1.638 0.020 . 1 . . . A 110 PRO HB3 . 18653 1 1414 . 1 1 113 113 PRO HG2 H 1 1.988 0.020 . 1 . . . A 110 PRO HG2 . 18653 1 1415 . 1 1 113 113 PRO HG3 H 1 1.792 0.020 . 1 . . . A 110 PRO HG3 . 18653 1 1416 . 1 1 113 113 PRO HD2 H 1 3.512 0.020 . 1 . . . A 110 PRO HD2 . 18653 1 1417 . 1 1 113 113 PRO HD3 H 1 3.718 0.020 . 1 . . . A 110 PRO HD3 . 18653 1 1418 . 1 1 113 113 PRO C C 13 175.870 0.300 . 1 . . . A 110 PRO C . 18653 1 1419 . 1 1 113 113 PRO CA C 13 63.336 0.300 . 1 . . . A 110 PRO CA . 18653 1 1420 . 1 1 113 113 PRO CB C 13 32.440 0.300 . 1 . . . A 110 PRO CB . 18653 1 1421 . 1 1 113 113 PRO CG C 13 27.628 0.300 . 1 . . . A 110 PRO CG . 18653 1 1422 . 1 1 113 113 PRO CD C 13 50.257 0.300 . 1 . . . A 110 PRO CD . 18653 1 1423 . 1 1 114 114 VAL H H 1 8.775 0.020 . 1 . . . A 111 VAL H . 18653 1 1424 . 1 1 114 114 VAL HA H 1 4.277 0.020 . 1 . . . A 111 VAL HA . 18653 1 1425 . 1 1 114 114 VAL HB H 1 2.033 0.020 . 1 . . . A 111 VAL HB . 18653 1 1426 . 1 1 114 114 VAL HG11 H 1 0.944 0.020 . 1 . . . A 111 VAL HG11 . 18653 1 1427 . 1 1 114 114 VAL HG12 H 1 0.944 0.020 . 1 . . . A 111 VAL HG12 . 18653 1 1428 . 1 1 114 114 VAL HG13 H 1 0.944 0.020 . 1 . . . A 111 VAL HG13 . 18653 1 1429 . 1 1 114 114 VAL HG21 H 1 0.998 0.020 . 1 . . . A 111 VAL HG21 . 18653 1 1430 . 1 1 114 114 VAL HG22 H 1 0.998 0.020 . 1 . . . A 111 VAL HG22 . 18653 1 1431 . 1 1 114 114 VAL HG23 H 1 0.998 0.020 . 1 . . . A 111 VAL HG23 . 18653 1 1432 . 1 1 114 114 VAL C C 13 175.464 0.300 . 1 . . . A 111 VAL C . 18653 1 1433 . 1 1 114 114 VAL CA C 13 60.249 0.300 . 1 . . . A 111 VAL CA . 18653 1 1434 . 1 1 114 114 VAL CB C 13 34.863 0.300 . 1 . . . A 111 VAL CB . 18653 1 1435 . 1 1 114 114 VAL CG1 C 13 20.692 0.300 . 1 . . . A 111 VAL CG1 . 18653 1 1436 . 1 1 114 114 VAL CG2 C 13 21.382 0.300 . 1 . . . A 111 VAL CG2 . 18653 1 1437 . 1 1 114 114 VAL N N 15 123.077 0.300 . 1 . . . A 111 VAL N . 18653 1 1438 . 1 1 115 115 LYS H H 1 8.362 0.020 . 1 . . . A 112 LYS H . 18653 1 1439 . 1 1 115 115 LYS HA H 1 4.647 0.020 . 1 . . . A 112 LYS HA . 18653 1 1440 . 1 1 115 115 LYS HB2 H 1 1.428 0.020 . 1 . . . A 112 LYS HB2 . 18653 1 1441 . 1 1 115 115 LYS HB3 H 1 1.805 0.020 . 1 . . . A 112 LYS HB3 . 18653 1 1442 . 1 1 115 115 LYS HG2 H 1 1.320 0.020 . 1 . . . A 112 LYS HG2 . 18653 1 1443 . 1 1 115 115 LYS HG3 H 1 1.546 0.020 . 1 . . . A 112 LYS HG3 . 18653 1 1444 . 1 1 115 115 LYS HD2 H 1 1.659 0.020 . 1 . . . A 112 LYS HD2 . 18653 1 1445 . 1 1 115 115 LYS HD3 H 1 1.659 0.020 . 1 . . . A 112 LYS HD3 . 18653 1 1446 . 1 1 115 115 LYS HE2 H 1 2.954 0.020 . 1 . . . A 112 LYS HE2 . 18653 1 1447 . 1 1 115 115 LYS HE3 H 1 2.954 0.020 . 1 . . . A 112 LYS HE3 . 18653 1 1448 . 1 1 115 115 LYS C C 13 175.491 0.300 . 1 . . . A 112 LYS C . 18653 1 1449 . 1 1 115 115 LYS CA C 13 56.500 0.300 . 1 . . . A 112 LYS CA . 18653 1 1450 . 1 1 115 115 LYS CB C 13 33.092 0.300 . 1 . . . A 112 LYS CB . 18653 1 1451 . 1 1 115 115 LYS CG C 13 25.713 0.300 . 1 . . . A 112 LYS CG . 18653 1 1452 . 1 1 115 115 LYS CD C 13 29.264 0.300 . 1 . . . A 112 LYS CD . 18653 1 1453 . 1 1 115 115 LYS CE C 13 42.198 0.300 . 1 . . . A 112 LYS CE . 18653 1 1454 . 1 1 115 115 LYS N N 15 124.048 0.300 . 1 . . . A 112 LYS N . 18653 1 1455 . 1 1 116 116 VAL H H 1 8.546 0.020 . 1 . . . A 113 VAL H . 18653 1 1456 . 1 1 116 116 VAL HA H 1 4.916 0.020 . 1 . . . A 113 VAL HA . 18653 1 1457 . 1 1 116 116 VAL HB H 1 1.890 0.020 . 1 . . . A 113 VAL HB . 18653 1 1458 . 1 1 116 116 VAL HG11 H 1 0.592 0.020 . 1 . . . A 113 VAL HG11 . 18653 1 1459 . 1 1 116 116 VAL HG12 H 1 0.592 0.020 . 1 . . . A 113 VAL HG12 . 18653 1 1460 . 1 1 116 116 VAL HG13 H 1 0.592 0.020 . 1 . . . A 113 VAL HG13 . 18653 1 1461 . 1 1 116 116 VAL HG21 H 1 0.333 0.020 . 1 . . . A 113 VAL HG21 . 18653 1 1462 . 1 1 116 116 VAL HG22 H 1 0.333 0.020 . 1 . . . A 113 VAL HG22 . 18653 1 1463 . 1 1 116 116 VAL HG23 H 1 0.333 0.020 . 1 . . . A 113 VAL HG23 . 18653 1 1464 . 1 1 116 116 VAL C C 13 174.144 0.300 . 1 . . . A 113 VAL C . 18653 1 1465 . 1 1 116 116 VAL CA C 13 58.958 0.300 . 1 . . . A 113 VAL CA . 18653 1 1466 . 1 1 116 116 VAL CB C 13 34.527 0.300 . 1 . . . A 113 VAL CB . 18653 1 1467 . 1 1 116 116 VAL CG1 C 13 22.814 0.300 . 1 . . . A 113 VAL CG1 . 18653 1 1468 . 1 1 116 116 VAL CG2 C 13 19.056 0.300 . 1 . . . A 113 VAL CG2 . 18653 1 1469 . 1 1 116 116 VAL N N 15 114.548 0.300 . 1 . . . A 113 VAL N . 18653 1 1470 . 1 1 117 117 TYR H H 1 9.576 0.020 . 1 . . . A 114 TYR H . 18653 1 1471 . 1 1 117 117 TYR HA H 1 5.099 0.020 . 1 . . . A 114 TYR HA . 18653 1 1472 . 1 1 117 117 TYR HB2 H 1 2.810 0.020 . 1 . . . A 114 TYR HB2 . 18653 1 1473 . 1 1 117 117 TYR HB3 H 1 3.112 0.020 . 1 . . . A 114 TYR HB3 . 18653 1 1474 . 1 1 117 117 TYR HD1 H 1 7.473 0.020 . 1 . . . A 114 TYR HD1 . 18653 1 1475 . 1 1 117 117 TYR HD2 H 1 7.473 0.020 . 1 . . . A 114 TYR HD2 . 18653 1 1476 . 1 1 117 117 TYR HE1 H 1 6.751 0.020 . 1 . . . A 114 TYR HE1 . 18653 1 1477 . 1 1 117 117 TYR HE2 H 1 6.751 0.020 . 1 . . . A 114 TYR HE2 . 18653 1 1478 . 1 1 117 117 TYR C C 13 174.050 0.300 . 1 . . . A 114 TYR C . 18653 1 1479 . 1 1 117 117 TYR CA C 13 58.686 0.300 . 1 . . . A 114 TYR CA . 18653 1 1480 . 1 1 117 117 TYR CB C 13 43.140 0.300 . 1 . . . A 114 TYR CB . 18653 1 1481 . 1 1 117 117 TYR CD1 C 13 133.919 0.300 . 1 . . . A 114 TYR CD1 . 18653 1 1482 . 1 1 117 117 TYR CD2 C 13 133.919 0.300 . 1 . . . A 114 TYR CD2 . 18653 1 1483 . 1 1 117 117 TYR CE1 C 13 118.151 0.300 . 1 . . . A 114 TYR CE1 . 18653 1 1484 . 1 1 117 117 TYR CE2 C 13 118.151 0.300 . 1 . . . A 114 TYR CE2 . 18653 1 1485 . 1 1 117 117 TYR N N 15 120.650 0.300 . 1 . . . A 114 TYR N . 18653 1 1486 . 1 1 118 118 ASN H H 1 8.621 0.020 . 1 . . . A 115 ASN H . 18653 1 1487 . 1 1 118 118 ASN HA H 1 5.127 0.020 . 1 . . . A 115 ASN HA . 18653 1 1488 . 1 1 118 118 ASN HB2 H 1 3.468 0.020 . 1 . . . A 115 ASN HB2 . 18653 1 1489 . 1 1 118 118 ASN HB3 H 1 2.550 0.020 . 1 . . . A 115 ASN HB3 . 18653 1 1490 . 1 1 118 118 ASN HD21 H 1 7.711 0.020 . 1 . . . A 115 ASN HD21 . 18653 1 1491 . 1 1 118 118 ASN HD22 H 1 7.549 0.020 . 1 . . . A 115 ASN HD22 . 18653 1 1492 . 1 1 118 118 ASN C C 13 172.686 0.300 . 1 . . . A 115 ASN C . 18653 1 1493 . 1 1 118 118 ASN CA C 13 51.672 0.300 . 1 . . . A 115 ASN CA . 18653 1 1494 . 1 1 118 118 ASN CB C 13 43.041 0.300 . 1 . . . A 115 ASN CB . 18653 1 1495 . 1 1 118 118 ASN N N 15 115.689 0.300 . 1 . . . A 115 ASN N . 18653 1 1496 . 1 1 118 118 ASN ND2 N 15 115.013 0.300 . 1 . . . A 115 ASN ND2 . 18653 1 1497 . 1 1 119 119 PHE H H 1 8.343 0.020 . 1 . . . A 116 PHE H . 18653 1 1498 . 1 1 119 119 PHE HA H 1 4.907 0.020 . 1 . . . A 116 PHE HA . 18653 1 1499 . 1 1 119 119 PHE HB2 H 1 3.171 0.020 . 1 . . . A 116 PHE HB2 . 18653 1 1500 . 1 1 119 119 PHE HB3 H 1 3.057 0.020 . 1 . . . A 116 PHE HB3 . 18653 1 1501 . 1 1 119 119 PHE HD1 H 1 6.553 0.020 . 1 . . . A 116 PHE HD1 . 18653 1 1502 . 1 1 119 119 PHE HD2 H 1 6.553 0.020 . 1 . . . A 116 PHE HD2 . 18653 1 1503 . 1 1 119 119 PHE HE1 H 1 6.506 0.020 . 1 . . . A 116 PHE HE1 . 18653 1 1504 . 1 1 119 119 PHE HE2 H 1 6.506 0.020 . 1 . . . A 116 PHE HE2 . 18653 1 1505 . 1 1 119 119 PHE C C 13 171.267 0.300 . 1 . . . A 116 PHE C . 18653 1 1506 . 1 1 119 119 PHE CA C 13 57.050 0.300 . 1 . . . A 116 PHE CA . 18653 1 1507 . 1 1 119 119 PHE CB C 13 39.764 0.300 . 1 . . . A 116 PHE CB . 18653 1 1508 . 1 1 119 119 PHE CD1 C 13 130.979 0.300 . 1 . . . A 116 PHE CD1 . 18653 1 1509 . 1 1 119 119 PHE CD2 C 13 130.979 0.300 . 1 . . . A 116 PHE CD2 . 18653 1 1510 . 1 1 119 119 PHE CE1 C 13 129.812 0.300 . 1 . . . A 116 PHE CE1 . 18653 1 1511 . 1 1 119 119 PHE CE2 C 13 129.812 0.300 . 1 . . . A 116 PHE CE2 . 18653 1 1512 . 1 1 119 119 PHE N N 15 116.651 0.300 . 1 . . . A 116 PHE N . 18653 1 1513 . 1 1 120 120 LYS H H 1 8.189 0.020 . 1 . . . A 117 LYS H . 18653 1 1514 . 1 1 120 120 LYS HA H 1 4.571 0.020 . 1 . . . A 117 LYS HA . 18653 1 1515 . 1 1 120 120 LYS HB2 H 1 1.746 0.020 . 1 . . . A 117 LYS HB2 . 18653 1 1516 . 1 1 120 120 LYS HB3 H 1 1.943 0.020 . 1 . . . A 117 LYS HB3 . 18653 1 1517 . 1 1 120 120 LYS HG2 H 1 1.263 0.020 . 1 . . . A 117 LYS HG2 . 18653 1 1518 . 1 1 120 120 LYS HG3 H 1 1.519 0.020 . 1 . . . A 117 LYS HG3 . 18653 1 1519 . 1 1 120 120 LYS HD2 H 1 1.680 0.020 . 1 . . . A 117 LYS HD2 . 18653 1 1520 . 1 1 120 120 LYS HD3 H 1 1.680 0.020 . 1 . . . A 117 LYS HD3 . 18653 1 1521 . 1 1 120 120 LYS HE2 H 1 2.934 0.020 . 1 . . . A 117 LYS HE2 . 18653 1 1522 . 1 1 120 120 LYS HE3 H 1 2.934 0.020 . 1 . . . A 117 LYS HE3 . 18653 1 1523 . 1 1 120 120 LYS C C 13 175.435 0.300 . 1 . . . A 117 LYS C . 18653 1 1524 . 1 1 120 120 LYS CA C 13 54.605 0.300 . 1 . . . A 117 LYS CA . 18653 1 1525 . 1 1 120 120 LYS CB C 13 36.435 0.300 . 1 . . . A 117 LYS CB . 18653 1 1526 . 1 1 120 120 LYS CG C 13 25.548 0.300 . 1 . . . A 117 LYS CG . 18653 1 1527 . 1 1 120 120 LYS CD C 13 29.445 0.300 . 1 . . . A 117 LYS CD . 18653 1 1528 . 1 1 120 120 LYS CE C 13 41.974 0.300 . 1 . . . A 117 LYS CE . 18653 1 1529 . 1 1 120 120 LYS N N 15 117.031 0.300 . 1 . . . A 117 LYS N . 18653 1 1530 . 1 1 121 121 VAL H H 1 8.928 0.020 . 1 . . . A 118 VAL H . 18653 1 1531 . 1 1 121 121 VAL HA H 1 4.289 0.020 . 1 . . . A 118 VAL HA . 18653 1 1532 . 1 1 121 121 VAL HB H 1 1.738 0.020 . 1 . . . A 118 VAL HB . 18653 1 1533 . 1 1 121 121 VAL HG11 H 1 1.100 0.020 . 1 . . . A 118 VAL HG11 . 18653 1 1534 . 1 1 121 121 VAL HG12 H 1 1.100 0.020 . 1 . . . A 118 VAL HG12 . 18653 1 1535 . 1 1 121 121 VAL HG13 H 1 1.100 0.020 . 1 . . . A 118 VAL HG13 . 18653 1 1536 . 1 1 121 121 VAL HG21 H 1 1.215 0.020 . 1 . . . A 118 VAL HG21 . 18653 1 1537 . 1 1 121 121 VAL HG22 H 1 1.215 0.020 . 1 . . . A 118 VAL HG22 . 18653 1 1538 . 1 1 121 121 VAL HG23 H 1 1.215 0.020 . 1 . . . A 118 VAL HG23 . 18653 1 1539 . 1 1 121 121 VAL C C 13 175.545 0.300 . 1 . . . A 118 VAL C . 18653 1 1540 . 1 1 121 121 VAL CA C 13 62.558 0.300 . 1 . . . A 118 VAL CA . 18653 1 1541 . 1 1 121 121 VAL CB C 13 35.232 0.300 . 1 . . . A 118 VAL CB . 18653 1 1542 . 1 1 121 121 VAL CG1 C 13 21.283 0.300 . 1 . . . A 118 VAL CG1 . 18653 1 1543 . 1 1 121 121 VAL CG2 C 13 24.591 0.300 . 1 . . . A 118 VAL CG2 . 18653 1 1544 . 1 1 121 121 VAL N N 15 127.818 0.300 . 1 . . . A 118 VAL N . 18653 1 1545 . 1 1 122 122 ASP H H 1 8.779 0.020 . 1 . . . A 119 ASP H . 18653 1 1546 . 1 1 122 122 ASP HA H 1 4.187 0.020 . 1 . . . A 119 ASP HA . 18653 1 1547 . 1 1 122 122 ASP HB2 H 1 2.713 0.020 . 1 . . . A 119 ASP HB2 . 18653 1 1548 . 1 1 122 122 ASP HB3 H 1 2.636 0.020 . 1 . . . A 119 ASP HB3 . 18653 1 1549 . 1 1 122 122 ASP C C 13 177.623 0.300 . 1 . . . A 119 ASP C . 18653 1 1550 . 1 1 122 122 ASP CA C 13 55.798 0.300 . 1 . . . A 119 ASP CA . 18653 1 1551 . 1 1 122 122 ASP CB C 13 42.445 0.300 . 1 . . . A 119 ASP CB . 18653 1 1552 . 1 1 122 122 ASP N N 15 126.667 0.300 . 1 . . . A 119 ASP N . 18653 1 1553 . 1 1 123 123 ASP H H 1 8.161 0.020 . 1 . . . A 120 ASP H . 18653 1 1554 . 1 1 123 123 ASP HA H 1 4.026 0.020 . 1 . . . A 120 ASP HA . 18653 1 1555 . 1 1 123 123 ASP HB2 H 1 2.750 0.020 . 1 . . . A 120 ASP HB2 . 18653 1 1556 . 1 1 123 123 ASP HB3 H 1 2.467 0.020 . 1 . . . A 120 ASP HB3 . 18653 1 1557 . 1 1 123 123 ASP C C 13 175.161 0.300 . 1 . . . A 120 ASP C . 18653 1 1558 . 1 1 123 123 ASP CA C 13 58.954 0.300 . 1 . . . A 120 ASP CA . 18653 1 1559 . 1 1 123 123 ASP CB C 13 41.432 0.300 . 1 . . . A 120 ASP CB . 18653 1 1560 . 1 1 123 123 ASP N N 15 117.834 0.300 . 1 . . . A 120 ASP N . 18653 1 1561 . 1 1 124 124 PHE H H 1 9.105 0.020 . 1 . . . A 121 PHE H . 18653 1 1562 . 1 1 124 124 PHE HA H 1 4.582 0.020 . 1 . . . A 121 PHE HA . 18653 1 1563 . 1 1 124 124 PHE HB2 H 1 2.696 0.020 . 1 . . . A 121 PHE HB2 . 18653 1 1564 . 1 1 124 124 PHE HB3 H 1 3.334 0.020 . 1 . . . A 121 PHE HB3 . 18653 1 1565 . 1 1 124 124 PHE HD1 H 1 6.835 0.020 . 1 . . . A 121 PHE HD1 . 18653 1 1566 . 1 1 124 124 PHE HD2 H 1 6.835 0.020 . 1 . . . A 121 PHE HD2 . 18653 1 1567 . 1 1 124 124 PHE HE1 H 1 7.296 0.020 . 1 . . . A 121 PHE HE1 . 18653 1 1568 . 1 1 124 124 PHE HE2 H 1 7.296 0.020 . 1 . . . A 121 PHE HE2 . 18653 1 1569 . 1 1 124 124 PHE C C 13 176.827 0.300 . 1 . . . A 121 PHE C . 18653 1 1570 . 1 1 124 124 PHE CA C 13 55.153 0.300 . 1 . . . A 121 PHE CA . 18653 1 1571 . 1 1 124 124 PHE CB C 13 38.360 0.300 . 1 . . . A 121 PHE CB . 18653 1 1572 . 1 1 124 124 PHE CD1 C 13 130.036 0.300 . 1 . . . A 121 PHE CD1 . 18653 1 1573 . 1 1 124 124 PHE CD2 C 13 130.036 0.300 . 1 . . . A 121 PHE CD2 . 18653 1 1574 . 1 1 124 124 PHE N N 15 121.090 0.300 . 1 . . . A 121 PHE N . 18653 1 1575 . 1 1 125 125 HIS H H 1 6.526 0.020 . 1 . . . A 122 HIS H . 18653 1 1576 . 1 1 125 125 HIS HA H 1 4.679 0.020 . 1 . . . A 122 HIS HA . 18653 1 1577 . 1 1 125 125 HIS HB2 H 1 3.216 0.020 . 1 . . . A 122 HIS HB2 . 18653 1 1578 . 1 1 125 125 HIS HB3 H 1 2.924 0.020 . 1 . . . A 122 HIS HB3 . 18653 1 1579 . 1 1 125 125 HIS HD2 H 1 7.347 0.020 . 1 . . . A 122 HIS HD2 . 18653 1 1580 . 1 1 125 125 HIS C C 13 171.924 0.300 . 1 . . . A 122 HIS C . 18653 1 1581 . 1 1 125 125 HIS CA C 13 56.724 0.300 . 1 . . . A 122 HIS CA . 18653 1 1582 . 1 1 125 125 HIS CB C 13 26.906 0.300 . 1 . . . A 122 HIS CB . 18653 1 1583 . 1 1 125 125 HIS CD2 C 13 121.304 0.300 . 1 . . . A 122 HIS CD2 . 18653 1 1584 . 1 1 125 125 HIS N N 15 104.956 0.300 . 1 . . . A 122 HIS N . 18653 1 1585 . 1 1 126 126 THR H H 1 6.816 0.020 . 1 . . . A 123 THR H . 18653 1 1586 . 1 1 126 126 THR HA H 1 4.722 0.020 . 1 . . . A 123 THR HA . 18653 1 1587 . 1 1 126 126 THR HB H 1 4.525 0.020 . 1 . . . A 123 THR HB . 18653 1 1588 . 1 1 126 126 THR HG21 H 1 1.161 0.020 . 1 . . . A 123 THR HG21 . 18653 1 1589 . 1 1 126 126 THR HG22 H 1 1.161 0.020 . 1 . . . A 123 THR HG22 . 18653 1 1590 . 1 1 126 126 THR HG23 H 1 1.161 0.020 . 1 . . . A 123 THR HG23 . 18653 1 1591 . 1 1 126 126 THR C C 13 170.416 0.300 . 1 . . . A 123 THR C . 18653 1 1592 . 1 1 126 126 THR CA C 13 58.287 0.300 . 1 . . . A 123 THR CA . 18653 1 1593 . 1 1 126 126 THR CB C 13 72.977 0.300 . 1 . . . A 123 THR CB . 18653 1 1594 . 1 1 126 126 THR CG2 C 13 21.306 0.300 . 1 . . . A 123 THR CG2 . 18653 1 1595 . 1 1 126 126 THR N N 15 105.391 0.300 . 1 . . . A 123 THR N . 18653 1 1596 . 1 1 127 127 TYR H H 1 7.883 0.020 . 1 . . . A 124 TYR H . 18653 1 1597 . 1 1 127 127 TYR HA H 1 4.944 0.020 . 1 . . . A 124 TYR HA . 18653 1 1598 . 1 1 127 127 TYR HB2 H 1 3.670 0.020 . 1 . . . A 124 TYR HB2 . 18653 1 1599 . 1 1 127 127 TYR HB3 H 1 3.498 0.020 . 1 . . . A 124 TYR HB3 . 18653 1 1600 . 1 1 127 127 TYR HD1 H 1 6.378 0.020 . 1 . . . A 124 TYR HD1 . 18653 1 1601 . 1 1 127 127 TYR HD2 H 1 6.378 0.020 . 1 . . . A 124 TYR HD2 . 18653 1 1602 . 1 1 127 127 TYR HE1 H 1 5.987 0.020 . 1 . . . A 124 TYR HE1 . 18653 1 1603 . 1 1 127 127 TYR HE2 H 1 5.987 0.020 . 1 . . . A 124 TYR HE2 . 18653 1 1604 . 1 1 127 127 TYR C C 13 172.262 0.300 . 1 . . . A 124 TYR C . 18653 1 1605 . 1 1 127 127 TYR CA C 13 57.325 0.300 . 1 . . . A 124 TYR CA . 18653 1 1606 . 1 1 127 127 TYR CB C 13 37.275 0.300 . 1 . . . A 124 TYR CB . 18653 1 1607 . 1 1 127 127 TYR CD1 C 13 133.967 0.300 . 1 . . . A 124 TYR CD1 . 18653 1 1608 . 1 1 127 127 TYR CD2 C 13 133.967 0.300 . 1 . . . A 124 TYR CD2 . 18653 1 1609 . 1 1 127 127 TYR CE1 C 13 117.265 0.300 . 1 . . . A 124 TYR CE1 . 18653 1 1610 . 1 1 127 127 TYR CE2 C 13 117.265 0.300 . 1 . . . A 124 TYR CE2 . 18653 1 1611 . 1 1 127 127 TYR N N 15 107.272 0.300 . 1 . . . A 124 TYR N . 18653 1 1612 . 1 1 128 128 HIS H H 1 9.794 0.020 . 1 . . . A 125 HIS H . 18653 1 1613 . 1 1 128 128 HIS HA H 1 5.550 0.020 . 1 . . . A 125 HIS HA . 18653 1 1614 . 1 1 128 128 HIS HB2 H 1 2.221 0.020 . 1 . . . A 125 HIS HB2 . 18653 1 1615 . 1 1 128 128 HIS HB3 H 1 3.128 0.020 . 1 . . . A 125 HIS HB3 . 18653 1 1616 . 1 1 128 128 HIS HD2 H 1 6.973 0.020 . 1 . . . A 125 HIS HD2 . 18653 1 1617 . 1 1 128 128 HIS C C 13 175.989 0.300 . 1 . . . A 125 HIS C . 18653 1 1618 . 1 1 128 128 HIS CA C 13 55.188 0.300 . 1 . . . A 125 HIS CA . 18653 1 1619 . 1 1 128 128 HIS CB C 13 31.636 0.300 . 1 . . . A 125 HIS CB . 18653 1 1620 . 1 1 128 128 HIS N N 15 117.411 0.300 . 1 . . . A 125 HIS N . 18653 1 1621 . 1 1 129 129 VAL H H 1 8.962 0.020 . 1 . . . A 126 VAL H . 18653 1 1622 . 1 1 129 129 VAL HA H 1 5.458 0.020 . 1 . . . A 126 VAL HA . 18653 1 1623 . 1 1 129 129 VAL HB H 1 1.481 0.020 . 1 . . . A 126 VAL HB . 18653 1 1624 . 1 1 129 129 VAL HG11 H 1 0.262 0.020 . 1 . . . A 126 VAL HG11 . 18653 1 1625 . 1 1 129 129 VAL HG12 H 1 0.262 0.020 . 1 . . . A 126 VAL HG12 . 18653 1 1626 . 1 1 129 129 VAL HG13 H 1 0.262 0.020 . 1 . . . A 126 VAL HG13 . 18653 1 1627 . 1 1 129 129 VAL HG21 H 1 0.611 0.020 . 1 . . . A 126 VAL HG21 . 18653 1 1628 . 1 1 129 129 VAL HG22 H 1 0.611 0.020 . 1 . . . A 126 VAL HG22 . 18653 1 1629 . 1 1 129 129 VAL HG23 H 1 0.611 0.020 . 1 . . . A 126 VAL HG23 . 18653 1 1630 . 1 1 129 129 VAL C C 13 177.162 0.300 . 1 . . . A 126 VAL C . 18653 1 1631 . 1 1 129 129 VAL CA C 13 59.225 0.300 . 1 . . . A 126 VAL CA . 18653 1 1632 . 1 1 129 129 VAL CB C 13 36.164 0.300 . 1 . . . A 126 VAL CB . 18653 1 1633 . 1 1 129 129 VAL CG1 C 13 21.732 0.300 . 1 . . . A 126 VAL CG1 . 18653 1 1634 . 1 1 129 129 VAL CG2 C 13 19.269 0.300 . 1 . . . A 126 VAL CG2 . 18653 1 1635 . 1 1 129 129 VAL N N 15 115.940 0.300 . 1 . . . A 126 VAL N . 18653 1 1636 . 1 1 130 130 GLY H H 1 9.091 0.020 . 1 . . . A 127 GLY H . 18653 1 1637 . 1 1 130 130 GLY HA2 H 1 4.467 0.020 . 1 . . . A 127 GLY HA2 . 18653 1 1638 . 1 1 130 130 GLY HA3 H 1 4.226 0.020 . 1 . . . A 127 GLY HA3 . 18653 1 1639 . 1 1 130 130 GLY C C 13 175.870 0.300 . 1 . . . A 127 GLY C . 18653 1 1640 . 1 1 130 130 GLY CA C 13 43.854 0.300 . 1 . . . A 127 GLY CA . 18653 1 1641 . 1 1 130 130 GLY N N 15 107.586 0.300 . 1 . . . A 127 GLY N . 18653 1 1642 . 1 1 131 131 ASP H H 1 11.263 0.020 . 1 . . . A 128 ASP H . 18653 1 1643 . 1 1 131 131 ASP HA H 1 4.452 0.020 . 1 . . . A 128 ASP HA . 18653 1 1644 . 1 1 131 131 ASP HB2 H 1 2.483 0.020 . 1 . . . A 128 ASP HB2 . 18653 1 1645 . 1 1 131 131 ASP HB3 H 1 2.483 0.020 . 1 . . . A 128 ASP HB3 . 18653 1 1646 . 1 1 131 131 ASP C C 13 180.059 0.300 . 1 . . . A 128 ASP C . 18653 1 1647 . 1 1 131 131 ASP CA C 13 57.643 0.300 . 1 . . . A 128 ASP CA . 18653 1 1648 . 1 1 131 131 ASP CB C 13 40.420 0.300 . 1 . . . A 128 ASP CB . 18653 1 1649 . 1 1 131 131 ASP N N 15 124.938 0.300 . 1 . . . A 128 ASP N . 18653 1 1650 . 1 1 132 132 ASN H H 1 9.452 0.020 . 1 . . . A 129 ASN H . 18653 1 1651 . 1 1 132 132 ASN HA H 1 4.560 0.020 . 1 . . . A 129 ASN HA . 18653 1 1652 . 1 1 132 132 ASN HB2 H 1 2.831 0.020 . 1 . . . A 129 ASN HB2 . 18653 1 1653 . 1 1 132 132 ASN HB3 H 1 2.831 0.020 . 1 . . . A 129 ASN HB3 . 18653 1 1654 . 1 1 132 132 ASN HD21 H 1 6.831 0.020 . 1 . . . A 129 ASN HD21 . 18653 1 1655 . 1 1 132 132 ASN HD22 H 1 7.405 0.020 . 1 . . . A 129 ASN HD22 . 18653 1 1656 . 1 1 132 132 ASN C C 13 174.298 0.300 . 1 . . . A 129 ASN C . 18653 1 1657 . 1 1 132 132 ASN CA C 13 53.530 0.300 . 1 . . . A 129 ASN CA . 18653 1 1658 . 1 1 132 132 ASN CB C 13 38.925 0.300 . 1 . . . A 129 ASN CB . 18653 1 1659 . 1 1 132 132 ASN N N 15 114.992 0.300 . 1 . . . A 129 ASN N . 18653 1 1660 . 1 1 132 132 ASN ND2 N 15 114.583 0.300 . 1 . . . A 129 ASN ND2 . 18653 1 1661 . 1 1 133 133 GLU H H 1 7.706 0.020 . 1 . . . A 130 GLU H . 18653 1 1662 . 1 1 133 133 GLU HA H 1 4.201 0.020 . 1 . . . A 130 GLU HA . 18653 1 1663 . 1 1 133 133 GLU HB2 H 1 1.626 0.020 . 1 . . . A 130 GLU HB2 . 18653 1 1664 . 1 1 133 133 GLU HB3 H 1 2.407 0.020 . 1 . . . A 130 GLU HB3 . 18653 1 1665 . 1 1 133 133 GLU HG2 H 1 2.365 0.020 . 1 . . . A 130 GLU HG2 . 18653 1 1666 . 1 1 133 133 GLU HG3 H 1 2.251 0.020 . 1 . . . A 130 GLU HG3 . 18653 1 1667 . 1 1 133 133 GLU C C 13 177.257 0.300 . 1 . . . A 130 GLU C . 18653 1 1668 . 1 1 133 133 GLU CA C 13 55.778 0.300 . 1 . . . A 130 GLU CA . 18653 1 1669 . 1 1 133 133 GLU CB C 13 26.436 0.300 . 1 . . . A 130 GLU CB . 18653 1 1670 . 1 1 133 133 GLU CG C 13 34.472 0.300 . 1 . . . A 130 GLU CG . 18653 1 1671 . 1 1 133 133 GLU N N 15 117.296 0.300 . 1 . . . A 130 GLU N . 18653 1 1672 . 1 1 134 134 VAL H H 1 9.471 0.020 . 1 . . . A 131 VAL H . 18653 1 1673 . 1 1 134 134 VAL HA H 1 4.244 0.020 . 1 . . . A 131 VAL HA . 18653 1 1674 . 1 1 134 134 VAL HB H 1 2.146 0.020 . 1 . . . A 131 VAL HB . 18653 1 1675 . 1 1 134 134 VAL HG11 H 1 1.239 0.020 . 1 . . . A 131 VAL HG11 . 18653 1 1676 . 1 1 134 134 VAL HG12 H 1 1.239 0.020 . 1 . . . A 131 VAL HG12 . 18653 1 1677 . 1 1 134 134 VAL HG13 H 1 1.239 0.020 . 1 . . . A 131 VAL HG13 . 18653 1 1678 . 1 1 134 134 VAL HG21 H 1 1.033 0.020 . 1 . . . A 131 VAL HG21 . 18653 1 1679 . 1 1 134 134 VAL HG22 H 1 1.033 0.020 . 1 . . . A 131 VAL HG22 . 18653 1 1680 . 1 1 134 134 VAL HG23 H 1 1.033 0.020 . 1 . . . A 131 VAL HG23 . 18653 1 1681 . 1 1 134 134 VAL C C 13 177.046 0.300 . 1 . . . A 131 VAL C . 18653 1 1682 . 1 1 134 134 VAL CA C 13 63.495 0.300 . 1 . . . A 131 VAL CA . 18653 1 1683 . 1 1 134 134 VAL CB C 13 33.119 0.300 . 1 . . . A 131 VAL CB . 18653 1 1684 . 1 1 134 134 VAL CG1 C 13 23.390 0.300 . 1 . . . A 131 VAL CG1 . 18653 1 1685 . 1 1 134 134 VAL CG2 C 13 22.704 0.300 . 1 . . . A 131 VAL CG2 . 18653 1 1686 . 1 1 134 134 VAL N N 15 123.912 0.300 . 1 . . . A 131 VAL N . 18653 1 1687 . 1 1 135 135 LEU H H 1 8.853 0.020 . 1 . . . A 132 LEU H . 18653 1 1688 . 1 1 135 135 LEU HA H 1 3.896 0.020 . 1 . . . A 132 LEU HA . 18653 1 1689 . 1 1 135 135 LEU HB2 H 1 1.203 0.020 . 1 . . . A 132 LEU HB2 . 18653 1 1690 . 1 1 135 135 LEU HB3 H 1 2.308 0.020 . 1 . . . A 132 LEU HB3 . 18653 1 1691 . 1 1 135 135 LEU HG H 1 1.399 0.020 . 1 . . . A 132 LEU HG . 18653 1 1692 . 1 1 135 135 LEU HD11 H 1 0.761 0.020 . 1 . . . A 132 LEU HD11 . 18653 1 1693 . 1 1 135 135 LEU HD12 H 1 0.761 0.020 . 1 . . . A 132 LEU HD12 . 18653 1 1694 . 1 1 135 135 LEU HD13 H 1 0.761 0.020 . 1 . . . A 132 LEU HD13 . 18653 1 1695 . 1 1 135 135 LEU HD21 H 1 0.550 0.020 . 1 . . . A 132 LEU HD21 . 18653 1 1696 . 1 1 135 135 LEU HD22 H 1 0.550 0.020 . 1 . . . A 132 LEU HD22 . 18653 1 1697 . 1 1 135 135 LEU HD23 H 1 0.550 0.020 . 1 . . . A 132 LEU HD23 . 18653 1 1698 . 1 1 135 135 LEU C C 13 175.650 0.300 . 1 . . . A 132 LEU C . 18653 1 1699 . 1 1 135 135 LEU CA C 13 56.677 0.300 . 1 . . . A 132 LEU CA . 18653 1 1700 . 1 1 135 135 LEU CB C 13 41.772 0.300 . 1 . . . A 132 LEU CB . 18653 1 1701 . 1 1 135 135 LEU CG C 13 28.033 0.300 . 1 . . . A 132 LEU CG . 18653 1 1702 . 1 1 135 135 LEU CD1 C 13 23.662 0.300 . 1 . . . A 132 LEU CD1 . 18653 1 1703 . 1 1 135 135 LEU CD2 C 13 26.061 0.300 . 1 . . . A 132 LEU CD2 . 18653 1 1704 . 1 1 135 135 LEU N N 15 126.850 0.300 . 1 . . . A 132 LEU N . 18653 1 1705 . 1 1 136 136 VAL H H 1 8.763 0.020 . 1 . . . A 133 VAL H . 18653 1 1706 . 1 1 136 136 VAL HA H 1 4.951 0.020 . 1 . . . A 133 VAL HA . 18653 1 1707 . 1 1 136 136 VAL HB H 1 2.038 0.020 . 1 . . . A 133 VAL HB . 18653 1 1708 . 1 1 136 136 VAL HG11 H 1 0.040 0.020 . 1 . . . A 133 VAL HG11 . 18653 1 1709 . 1 1 136 136 VAL HG12 H 1 0.040 0.020 . 1 . . . A 133 VAL HG12 . 18653 1 1710 . 1 1 136 136 VAL HG13 H 1 0.040 0.020 . 1 . . . A 133 VAL HG13 . 18653 1 1711 . 1 1 136 136 VAL HG21 H 1 -0.193 0.020 . 1 . . . A 133 VAL HG21 . 18653 1 1712 . 1 1 136 136 VAL HG22 H 1 -0.193 0.020 . 1 . . . A 133 VAL HG22 . 18653 1 1713 . 1 1 136 136 VAL HG23 H 1 -0.193 0.020 . 1 . . . A 133 VAL HG23 . 18653 1 1714 . 1 1 136 136 VAL C C 13 173.057 0.300 . 1 . . . A 133 VAL C . 18653 1 1715 . 1 1 136 136 VAL CA C 13 58.907 0.300 . 1 . . . A 133 VAL CA . 18653 1 1716 . 1 1 136 136 VAL CB C 13 35.123 0.300 . 1 . . . A 133 VAL CB . 18653 1 1717 . 1 1 136 136 VAL CG1 C 13 20.766 0.300 . 1 . . . A 133 VAL CG1 . 18653 1 1718 . 1 1 136 136 VAL CG2 C 13 17.872 0.300 . 1 . . . A 133 VAL CG2 . 18653 1 1719 . 1 1 136 136 VAL N N 15 121.634 0.300 . 1 . . . A 133 VAL N . 18653 1 1720 . 1 1 137 137 HIS H H 1 7.887 0.020 . 1 . . . A 134 HIS H . 18653 1 1721 . 1 1 137 137 HIS HA H 1 4.482 0.020 . 1 . . . A 134 HIS HA . 18653 1 1722 . 1 1 137 137 HIS HB2 H 1 2.150 0.020 . 1 . . . A 134 HIS HB2 . 18653 1 1723 . 1 1 137 137 HIS HB3 H 1 1.533 0.020 . 1 . . . A 134 HIS HB3 . 18653 1 1724 . 1 1 137 137 HIS HD2 H 1 6.162 0.020 . 1 . . . A 134 HIS HD2 . 18653 1 1725 . 1 1 137 137 HIS C C 13 173.091 0.300 . 1 . . . A 134 HIS C . 18653 1 1726 . 1 1 137 137 HIS CA C 13 53.773 0.300 . 1 . . . A 134 HIS CA . 18653 1 1727 . 1 1 137 137 HIS CB C 13 29.600 0.300 . 1 . . . A 134 HIS CB . 18653 1 1728 . 1 1 137 137 HIS CD2 C 13 121.186 0.300 . 1 . . . A 134 HIS CD2 . 18653 1 1729 . 1 1 137 137 HIS N N 15 117.861 0.300 . 1 . . . A 134 HIS N . 18653 1 1730 . 1 1 138 138 ASN H H 1 8.223 0.020 . 1 . . . A 135 ASN H . 18653 1 1731 . 1 1 138 138 ASN HA H 1 4.624 0.020 . 1 . . . A 135 ASN HA . 18653 1 1732 . 1 1 138 138 ASN HB2 H 1 2.269 0.020 . 1 . . . A 135 ASN HB2 . 18653 1 1733 . 1 1 138 138 ASN HB3 H 1 2.269 0.020 . 1 . . . A 135 ASN HB3 . 18653 1 1734 . 1 1 138 138 ASN C C 13 181.290 0.300 . 1 . . . A 135 ASN C . 18653 1 1735 . 1 1 138 138 ASN CA C 13 55.399 0.300 . 1 . . . A 135 ASN CA . 18653 1 1736 . 1 1 138 138 ASN CB C 13 41.158 0.300 . 1 . . . A 135 ASN CB . 18653 1 1737 . 1 1 138 138 ASN N N 15 124.587 0.300 . 1 . . . A 135 ASN N . 18653 1 stop_ save_