data_4087 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4087 _Entry.Title ; E2 DNA-binding domain from papillomavirus bpv-1 ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1999-05-22 _Entry.Accession_date 1999-12-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 S. Veeraraghavan . . . 4087 2 C. Mello . C. . 4087 3 E. Androphy . J. . 4087 4 J. Baleja . D. . 4087 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4087 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 336 4087 '15N chemical shifts' 108 4087 '1H chemical shifts' 698 4087 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-04-27 . updated author ; Authors have sent an updated chemical shift table. They have also added a more recent publication. The original publication including the deposition number is also shown at the end of this file (citation_one). ; 4087 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4087 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20056031 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural Correlates for Enhanced Stability in the E2 DNA-Binding Domain from Bovine Papillomavirus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 38 _Citation.Journal_issue . _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 16115 _Citation.Page_last 16124 _Citation.Year 1999 _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 S. Veeraraghavan . . . 4087 1 2 C. Mello . C. . 4087 1 3 E. Androphy . J. . 4087 1 4 J. Baleja . D. . 4087 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA-binding domain' 4087 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4087 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9691287 _Citation.Full_citation ; Veeraraghavan, S.; Mello, C. C.; Lee, K. M.; Androphy, E. J. and Baleja, J. D. "1H, 15N, and 13C NMR resonance assignments for the DNA-binding domain of the BPV-1 E2 protein". J. Biomol. NMR, 11, 457-458 (1998). ; _Citation.Title '1H, 15N, and 13C NMR resonance assignments for the DNA-binding domain of the BPV-1 E2 protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 11 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 457 _Citation.Page_last 458 _Citation.Year 1998 _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 S Veeraraghavan S. . . 4087 2 2 'C C' Mello C. C. . 4087 2 3 'K M' Lee K. M. . 4087 2 4 'E J' Androphy E. J. . 4087 2 5 'J D' Baleja J. D. . 4087 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_E2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_E2 _Assembly.Entry_ID 4087 _Assembly.ID 1 _Assembly.Name E2 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID homodimer 4087 1 stop_ 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 E2 1 $E2 . . . native . . . . . 4087 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID E2 abbreviation 4087 1 E2 system 4087 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E2 _Entity.Sf_category entity _Entity.Sf_framecode E2 _Entity.Entry_ID 4087 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; APRRTTNDGFHLLKAGGSCF ALISGTANQVKCYRFRVKKN HRHRYENCTTTWFTVADNGA ERQGQAQILITFGSPSQRQD FLKHVPLPPGMNISGFTASL DF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1DBD . "E2 Dna-Binding Domain From Papillomavirus Bpv-1" . . . . . 97.06 100 100.00 100.00 3.08e-67 . . . . 4087 1 2 no PDB 1JJH . "E2 Dna-Binding Domain From Bovine Papillomavirus Type 1" . . . . . 84.31 86 98.84 98.84 1.59e-56 . . . . 4087 1 3 no PDB 2BOP . "Crystal Structure At 1.7 Angstroms Of The Bovine Papillomavirus-1 E2 Dna-Binding Domain Bound To Its Dna Target" . . . . . 83.33 85 100.00 100.00 2.24e-56 . . . . 4087 1 4 no DBJ BAL04334 . "E2 protein [Bovine papillomavirus type 1]" . . . . . 99.02 410 99.01 100.00 9.11e-66 . . . . 4087 1 5 no GB AFV52369 . "E2 [Bovine papillomavirus type 1]" . . . . . 99.02 410 99.01 100.00 4.35e-66 . . . . 4087 1 6 no GB AGM20697 . "E2 protein, partial [Bovine papillomavirus type 1]" . . . . . 53.92 55 100.00 100.00 1.60e-31 . . . . 4087 1 7 no GB AGM20699 . "E2 protein, partial [Bovine papillomavirus type 1]" . . . . . 53.92 55 100.00 100.00 1.60e-31 . . . . 4087 1 8 no GB AGM20701 . "E2 protein, partial [Bovine papillomavirus type 1]" . . . . . 53.92 55 100.00 100.00 1.60e-31 . . . . 4087 1 9 no GB AGM20703 . "E2 protein, partial [Bovine papillomavirus type 1]" . . . . . 53.92 55 100.00 100.00 1.60e-31 . . . . 4087 1 10 no SP P03122 . "RecName: Full=Regulatory protein E2" . . . . . 99.02 410 100.00 100.00 1.40e-66 . . . . 4087 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID E2 abbreviation 4087 1 E2 common 4087 1 none variant 4087 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 -2 ALA . 4087 1 2 -1 PRO . 4087 1 3 1 ARG . 4087 1 4 2 ARG . 4087 1 5 3 THR . 4087 1 6 4 THR . 4087 1 7 5 ASN . 4087 1 8 6 ASP . 4087 1 9 7 GLY . 4087 1 10 8 PHE . 4087 1 11 9 HIS . 4087 1 12 10 LEU . 4087 1 13 11 LEU . 4087 1 14 12 LYS . 4087 1 15 13 ALA . 4087 1 16 14 GLY . 4087 1 17 15 GLY . 4087 1 18 16 SER . 4087 1 19 17 CYS . 4087 1 20 18 PHE . 4087 1 21 19 ALA . 4087 1 22 20 LEU . 4087 1 23 21 ILE . 4087 1 24 22 SER . 4087 1 25 23 GLY . 4087 1 26 24 THR . 4087 1 27 25 ALA . 4087 1 28 26 ASN . 4087 1 29 27 GLN . 4087 1 30 28 VAL . 4087 1 31 29 LYS . 4087 1 32 30 CYS . 4087 1 33 31 TYR . 4087 1 34 32 ARG . 4087 1 35 33 PHE . 4087 1 36 34 ARG . 4087 1 37 35 VAL . 4087 1 38 36 LYS . 4087 1 39 37 LYS . 4087 1 40 38 ASN . 4087 1 41 39 HIS . 4087 1 42 40 ARG . 4087 1 43 41 HIS . 4087 1 44 42 ARG . 4087 1 45 43 TYR . 4087 1 46 44 GLU . 4087 1 47 45 ASN . 4087 1 48 46 CYS . 4087 1 49 47 THR . 4087 1 50 48 THR . 4087 1 51 49 THR . 4087 1 52 50 TRP . 4087 1 53 51 PHE . 4087 1 54 52 THR . 4087 1 55 53 VAL . 4087 1 56 54 ALA . 4087 1 57 55 ASP . 4087 1 58 56 ASN . 4087 1 59 57 GLY . 4087 1 60 58 ALA . 4087 1 61 59 GLU . 4087 1 62 60 ARG . 4087 1 63 61 GLN . 4087 1 64 62 GLY . 4087 1 65 63 GLN . 4087 1 66 64 ALA . 4087 1 67 65 GLN . 4087 1 68 66 ILE . 4087 1 69 67 LEU . 4087 1 70 68 ILE . 4087 1 71 69 THR . 4087 1 72 70 PHE . 4087 1 73 71 GLY . 4087 1 74 72 SER . 4087 1 75 73 PRO . 4087 1 76 74 SER . 4087 1 77 75 GLN . 4087 1 78 76 ARG . 4087 1 79 77 GLN . 4087 1 80 78 ASP . 4087 1 81 79 PHE . 4087 1 82 80 LEU . 4087 1 83 81 LYS . 4087 1 84 82 HIS . 4087 1 85 83 VAL . 4087 1 86 84 PRO . 4087 1 87 85 LEU . 4087 1 88 86 PRO . 4087 1 89 87 PRO . 4087 1 90 88 GLY . 4087 1 91 89 MET . 4087 1 92 90 ASN . 4087 1 93 91 ILE . 4087 1 94 92 SER . 4087 1 95 93 GLY . 4087 1 96 94 PHE . 4087 1 97 95 THR . 4087 1 98 96 ALA . 4087 1 99 97 SER . 4087 1 100 98 LEU . 4087 1 101 99 ASP . 4087 1 102 100 PHE . 4087 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 . ALA 1 1 4087 1 . PRO 2 2 4087 1 . ARG 3 3 4087 1 . ARG 4 4 4087 1 . THR 5 5 4087 1 . THR 6 6 4087 1 . ASN 7 7 4087 1 . ASP 8 8 4087 1 . GLY 9 9 4087 1 . PHE 10 10 4087 1 . HIS 11 11 4087 1 . LEU 12 12 4087 1 . LEU 13 13 4087 1 . LYS 14 14 4087 1 . ALA 15 15 4087 1 . GLY 16 16 4087 1 . GLY 17 17 4087 1 . SER 18 18 4087 1 . CYS 19 19 4087 1 . PHE 20 20 4087 1 . ALA 21 21 4087 1 . LEU 22 22 4087 1 . ILE 23 23 4087 1 . SER 24 24 4087 1 . GLY 25 25 4087 1 . THR 26 26 4087 1 . ALA 27 27 4087 1 . ASN 28 28 4087 1 . GLN 29 29 4087 1 . VAL 30 30 4087 1 . LYS 31 31 4087 1 . CYS 32 32 4087 1 . TYR 33 33 4087 1 . ARG 34 34 4087 1 . PHE 35 35 4087 1 . ARG 36 36 4087 1 . VAL 37 37 4087 1 . LYS 38 38 4087 1 . LYS 39 39 4087 1 . ASN 40 40 4087 1 . HIS 41 41 4087 1 . ARG 42 42 4087 1 . HIS 43 43 4087 1 . ARG 44 44 4087 1 . TYR 45 45 4087 1 . GLU 46 46 4087 1 . ASN 47 47 4087 1 . CYS 48 48 4087 1 . THR 49 49 4087 1 . THR 50 50 4087 1 . THR 51 51 4087 1 . TRP 52 52 4087 1 . PHE 53 53 4087 1 . THR 54 54 4087 1 . VAL 55 55 4087 1 . ALA 56 56 4087 1 . ASP 57 57 4087 1 . ASN 58 58 4087 1 . GLY 59 59 4087 1 . ALA 60 60 4087 1 . GLU 61 61 4087 1 . ARG 62 62 4087 1 . GLN 63 63 4087 1 . GLY 64 64 4087 1 . GLN 65 65 4087 1 . ALA 66 66 4087 1 . GLN 67 67 4087 1 . ILE 68 68 4087 1 . LEU 69 69 4087 1 . ILE 70 70 4087 1 . THR 71 71 4087 1 . PHE 72 72 4087 1 . GLY 73 73 4087 1 . SER 74 74 4087 1 . PRO 75 75 4087 1 . SER 76 76 4087 1 . GLN 77 77 4087 1 . ARG 78 78 4087 1 . GLN 79 79 4087 1 . ASP 80 80 4087 1 . PHE 81 81 4087 1 . LEU 82 82 4087 1 . LYS 83 83 4087 1 . HIS 84 84 4087 1 . VAL 85 85 4087 1 . PRO 86 86 4087 1 . LEU 87 87 4087 1 . PRO 88 88 4087 1 . PRO 89 89 4087 1 . GLY 90 90 4087 1 . MET 91 91 4087 1 . ASN 92 92 4087 1 . ILE 93 93 4087 1 . SER 94 94 4087 1 . GLY 95 95 4087 1 . PHE 96 96 4087 1 . THR 97 97 4087 1 . ALA 98 98 4087 1 . SER 99 99 4087 1 . LEU 100 100 4087 1 . ASP 101 101 4087 1 . PHE 102 102 4087 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 4087 _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 $E2 . 10559 . . 'Bovine papillomavirus' BPV-1 . . . . Bovine papillomavirus 'type 1' . . . . . . . . . . . . . . . . . . . . 4087 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 4087 _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 $E2 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL21(DE3) pLysS' . . . . . . . . . . . . . . . . . . . . . . 4087 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4087 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 E2 '[U-99% 13C]' . . 1 $E2 . . 1.7 . . mM . . . . 4087 1 2 Na_posphate . . . . . . . 20 . . mM . . . . 4087 1 3 Na_chloride . . . . . . . 100 . . mM . . . . 4087 1 4 dithiothreitol . . . . . . . 5 . . mM . . . . 4087 1 5 EDTA . . . . . . . 0.05 . . mM . . . . 4087 1 6 Na_azide . . . . . . . 0.01 . . % . . . . 4087 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4087 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 E2 '[U-99% 15N]' . . . . . . 1.7 . . mM . . . . 4087 2 2 Na_posphate . . . . . . . 20 . . mM . . . . 4087 2 3 Na_chloride . . . . . . . 100 . . mM . . . . 4087 2 4 dithiothreitol . . . . . . . 5 . . mM . . . . 4087 2 5 EDTA . . . . . . . 0.05 . . mM . . . . 4087 2 6 Na_azide . . . . . . . 0.01 . . % . . . . 4087 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4087 _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 5.75 . n/a 4087 1 pressure 1 . atm 4087 1 temperature 308.3 . K 4087 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4087 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4087 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4087 _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 NMR_spectrometer_1 Bruker AMX . 500 . . . 4087 1 2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 4087 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 4087 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4087 _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 E2 . . . . . ppm 116.5 . indirect 0.101329118 . . . . . . . . . 4087 1 H 1 water . . . . . ppm 4.66 internal direct . . . . . . . . . . 4087 1 N 15 E2 . . . . . ppm 47.5 . indirect 0.251449530 . . . . . . . . . 4087 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4087 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4087 1 . . 2 $sample_2 . 4087 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.38 . . 1 . . . . . . . . 4087 1 2 . 1 1 1 1 ALA CA C 13 51.0 . . 1 . . . . . . . . 4087 1 3 . 1 1 2 2 PRO HA H 1 4.51 . . 1 . . . . . . . . 4087 1 4 . 1 1 2 2 PRO HB2 H 1 2.32 . . 2 . . . . . . . . 4087 1 5 . 1 1 2 2 PRO HB3 H 1 1.87 . . 2 . . . . . . . . 4087 1 6 . 1 1 2 2 PRO HG2 H 1 2.04 . . 1 . . . . . . . . 4087 1 7 . 1 1 2 2 PRO HG3 H 1 2.04 . . 1 . . . . . . . . 4087 1 8 . 1 1 2 2 PRO HD2 H 1 3.61 . . 2 . . . . . . . . 4087 1 9 . 1 1 2 2 PRO HD3 H 1 3.73 . . 2 . . . . . . . . 4087 1 10 . 1 1 2 2 PRO CA C 13 63.1 . . 1 . . . . . . . . 4087 1 11 . 1 1 2 2 PRO CB C 13 32.0 . . 1 . . . . . . . . 4087 1 12 . 1 1 2 2 PRO CG C 13 27.8 . . 1 . . . . . . . . 4087 1 13 . 1 1 2 2 PRO CD C 13 50.6 . . 1 . . . . . . . . 4087 1 14 . 1 1 3 3 ARG H H 1 8.54 . . 1 . . . . . . . . 4087 1 15 . 1 1 3 3 ARG HA H 1 4.47 . . 1 . . . . . . . . 4087 1 16 . 1 1 3 3 ARG HB2 H 1 1.81 . . 2 . . . . . . . . 4087 1 17 . 1 1 3 3 ARG HB3 H 1 1.94 . . 2 . . . . . . . . 4087 1 18 . 1 1 3 3 ARG HG2 H 1 1.67 . . 1 . . . . . . . . 4087 1 19 . 1 1 3 3 ARG HG3 H 1 1.67 . . 1 . . . . . . . . 4087 1 20 . 1 1 3 3 ARG HD2 H 1 3.22 . . 1 . . . . . . . . 4087 1 21 . 1 1 3 3 ARG HD3 H 1 3.22 . . 1 . . . . . . . . 4087 1 22 . 1 1 3 3 ARG CA C 13 56.2 . . 1 . . . . . . . . 4087 1 23 . 1 1 3 3 ARG CB C 13 31.2 . . 1 . . . . . . . . 4087 1 24 . 1 1 3 3 ARG CG C 13 26.8 . . 1 . . . . . . . . 4087 1 25 . 1 1 3 3 ARG CD C 13 43.6 . . 1 . . . . . . . . 4087 1 26 . 1 1 3 3 ARG N N 15 120.9 . . 1 . . . . . . . . 4087 1 27 . 1 1 4 4 ARG H H 1 8.44 . . 1 . . . . . . . . 4087 1 28 . 1 1 4 4 ARG HA H 1 4.35 . . 1 . . . . . . . . 4087 1 29 . 1 1 4 4 ARG HB2 H 1 1.82 . . 2 . . . . . . . . 4087 1 30 . 1 1 4 4 ARG HB3 H 1 1.84 . . 2 . . . . . . . . 4087 1 31 . 1 1 4 4 ARG HG2 H 1 1.66 . . 1 . . . . . . . . 4087 1 32 . 1 1 4 4 ARG HG3 H 1 1.66 . . 1 . . . . . . . . 4087 1 33 . 1 1 4 4 ARG HD2 H 1 3.22 . . 1 . . . . . . . . 4087 1 34 . 1 1 4 4 ARG HD3 H 1 3.22 . . 1 . . . . . . . . 4087 1 35 . 1 1 4 4 ARG CA C 13 56.6 . . 1 . . . . . . . . 4087 1 36 . 1 1 4 4 ARG CB C 13 31.2 . . 1 . . . . . . . . 4087 1 37 . 1 1 4 4 ARG CG C 13 26.8 . . 1 . . . . . . . . 4087 1 38 . 1 1 4 4 ARG CD C 13 43.6 . . 1 . . . . . . . . 4087 1 39 . 1 1 4 4 ARG N N 15 119.5 . . 1 . . . . . . . . 4087 1 40 . 1 1 5 5 THR H H 1 8.32 . . 1 . . . . . . . . 4087 1 41 . 1 1 5 5 THR HA H 1 4.46 . . 1 . . . . . . . . 4087 1 42 . 1 1 5 5 THR HB H 1 4.27 . . 1 . . . . . . . . 4087 1 43 . 1 1 5 5 THR HG21 H 1 1.21 . . 1 . . . . . . . . 4087 1 44 . 1 1 5 5 THR HG22 H 1 1.21 . . 1 . . . . . . . . 4087 1 45 . 1 1 5 5 THR HG23 H 1 1.21 . . 1 . . . . . . . . 4087 1 46 . 1 1 5 5 THR CA C 13 61.8 . . 1 . . . . . . . . 4087 1 47 . 1 1 5 5 THR CB C 13 70.0 . . 1 . . . . . . . . 4087 1 48 . 1 1 5 5 THR CG2 C 13 21.2 . . 1 . . . . . . . . 4087 1 49 . 1 1 5 5 THR N N 15 113.3 . . 1 . . . . . . . . 4087 1 50 . 1 1 6 6 THR H H 1 8.12 . . 1 . . . . . . . . 4087 1 51 . 1 1 6 6 THR HA H 1 4.37 . . 1 . . . . . . . . 4087 1 52 . 1 1 6 6 THR HB H 1 4.25 . . 1 . . . . . . . . 4087 1 53 . 1 1 6 6 THR HG21 H 1 1.18 . . 1 . . . . . . . . 4087 1 54 . 1 1 6 6 THR HG22 H 1 1.18 . . 1 . . . . . . . . 4087 1 55 . 1 1 6 6 THR HG23 H 1 1.18 . . 1 . . . . . . . . 4087 1 56 . 1 1 6 6 THR CA C 13 61.9 . . 1 . . . . . . . . 4087 1 57 . 1 1 6 6 THR CB C 13 70.0 . . 1 . . . . . . . . 4087 1 58 . 1 1 6 6 THR CG2 C 13 21.8 . . 1 . . . . . . . . 4087 1 59 . 1 1 6 6 THR N N 15 112.7 . . 1 . . . . . . . . 4087 1 60 . 1 1 7 7 ASN H H 1 8.05 . . 1 . . . . . . . . 4087 1 61 . 1 1 7 7 ASN HA H 1 4.74 . . 1 . . . . . . . . 4087 1 62 . 1 1 7 7 ASN HB2 H 1 2.83 . . 2 . . . . . . . . 4087 1 63 . 1 1 7 7 ASN HB3 H 1 2.94 . . 2 . . . . . . . . 4087 1 64 . 1 1 7 7 ASN HD21 H 1 6.85 . . 2 . . . . . . . . 4087 1 65 . 1 1 7 7 ASN HD22 H 1 7.53 . . 2 . . . . . . . . 4087 1 66 . 1 1 7 7 ASN CA C 13 52.8 . . 1 . . . . . . . . 4087 1 67 . 1 1 7 7 ASN CB C 13 39.0 . . 1 . . . . . . . . 4087 1 68 . 1 1 7 7 ASN N N 15 113.6 . . 1 . . . . . . . . 4087 1 69 . 1 1 7 7 ASN ND2 N 15 109.4 . . 1 . . . . . . . . 4087 1 70 . 1 1 8 8 ASP H H 1 8.20 . . 1 . . . . . . . . 4087 1 71 . 1 1 8 8 ASP HA H 1 4.52 . . 1 . . . . . . . . 4087 1 72 . 1 1 8 8 ASP HB2 H 1 2.63 . . 2 . . . . . . . . 4087 1 73 . 1 1 8 8 ASP HB3 H 1 2.68 . . 2 . . . . . . . . 4087 1 74 . 1 1 8 8 ASP CA C 13 54.6 . . 1 . . . . . . . . 4087 1 75 . 1 1 8 8 ASP CB C 13 41.5 . . 1 . . . . . . . . 4087 1 76 . 1 1 8 8 ASP N N 15 118.3 . . 1 . . . . . . . . 4087 1 77 . 1 1 9 9 GLY H H 1 8.20 . . 1 . . . . . . . . 4087 1 78 . 1 1 9 9 GLY HA2 H 1 3.78 . . 2 . . . . . . . . 4087 1 79 . 1 1 9 9 GLY HA3 H 1 3.84 . . 2 . . . . . . . . 4087 1 80 . 1 1 9 9 GLY CA C 13 45.5 . . 1 . . . . . . . . 4087 1 81 . 1 1 9 9 GLY N N 15 105.8 . . 1 . . . . . . . . 4087 1 82 . 1 1 10 10 PHE H H 1 7.98 . . 1 . . . . . . . . 4087 1 83 . 1 1 10 10 PHE HA H 1 4.46 . . 1 . . . . . . . . 4087 1 84 . 1 1 10 10 PHE HB2 H 1 2.98 . . 1 . . . . . . . . 4087 1 85 . 1 1 10 10 PHE HB3 H 1 2.98 . . 1 . . . . . . . . 4087 1 86 . 1 1 10 10 PHE HD1 H 1 7.13 . . 1 . . . . . . . . 4087 1 87 . 1 1 10 10 PHE HD2 H 1 7.13 . . 1 . . . . . . . . 4087 1 88 . 1 1 10 10 PHE HE1 H 1 7.26 . . 1 . . . . . . . . 4087 1 89 . 1 1 10 10 PHE HE2 H 1 7.26 . . 1 . . . . . . . . 4087 1 90 . 1 1 10 10 PHE HZ H 1 7.20 . . 1 . . . . . . . . 4087 1 91 . 1 1 10 10 PHE CA C 13 58.3 . . 1 . . . . . . . . 4087 1 92 . 1 1 10 10 PHE CB C 13 39.2 . . 1 . . . . . . . . 4087 1 93 . 1 1 10 10 PHE CD1 C 13 131.7 . . 1 . . . . . . . . 4087 1 94 . 1 1 10 10 PHE CD2 C 13 131.7 . . 1 . . . . . . . . 4087 1 95 . 1 1 10 10 PHE CE1 C 13 131.4 . . 1 . . . . . . . . 4087 1 96 . 1 1 10 10 PHE CE2 C 13 131.4 . . 1 . . . . . . . . 4087 1 97 . 1 1 10 10 PHE CZ C 13 129.5 . . 1 . . . . . . . . 4087 1 98 . 1 1 10 10 PHE N N 15 116.8 . . 1 . . . . . . . . 4087 1 99 . 1 1 11 11 HIS H H 1 7.82 . . 1 . . . . . . . . 4087 1 100 . 1 1 11 11 HIS HA H 1 4.53 . . 1 . . . . . . . . 4087 1 101 . 1 1 11 11 HIS HB2 H 1 2.97 . . 2 . . . . . . . . 4087 1 102 . 1 1 11 11 HIS HB3 H 1 3.04 . . 2 . . . . . . . . 4087 1 103 . 1 1 11 11 HIS HD2 H 1 7.06 . . 1 . . . . . . . . 4087 1 104 . 1 1 11 11 HIS HE1 H 1 7.79 . . 1 . . . . . . . . 4087 1 105 . 1 1 11 11 HIS CA C 13 54.7 . . 1 . . . . . . . . 4087 1 106 . 1 1 11 11 HIS CB C 13 30.3 . . 1 . . . . . . . . 4087 1 107 . 1 1 11 11 HIS CD2 C 13 119.2 . . 1 . . . . . . . . 4087 1 108 . 1 1 11 11 HIS CE1 C 13 138.0 . . 1 . . . . . . . . 4087 1 109 . 1 1 11 11 HIS N N 15 118.9 . . 1 . . . . . . . . 4087 1 110 . 1 1 12 12 LEU H H 1 8.43 . . 1 . . . . . . . . 4087 1 111 . 1 1 12 12 LEU HA H 1 3.95 . . 1 . . . . . . . . 4087 1 112 . 1 1 12 12 LEU HB2 H 1 1.73 . . 2 . . . . . . . . 4087 1 113 . 1 1 12 12 LEU HB3 H 1 1.38 . . 2 . . . . . . . . 4087 1 114 . 1 1 12 12 LEU HG H 1 1.58 . . 1 . . . . . . . . 4087 1 115 . 1 1 12 12 LEU HD11 H 1 0.63 . . 2 . . . . . . . . 4087 1 116 . 1 1 12 12 LEU HD12 H 1 0.63 . . 2 . . . . . . . . 4087 1 117 . 1 1 12 12 LEU HD13 H 1 0.63 . . 2 . . . . . . . . 4087 1 118 . 1 1 12 12 LEU HD21 H 1 0.84 . . 2 . . . . . . . . 4087 1 119 . 1 1 12 12 LEU HD22 H 1 0.84 . . 2 . . . . . . . . 4087 1 120 . 1 1 12 12 LEU HD23 H 1 0.84 . . 2 . . . . . . . . 4087 1 121 . 1 1 12 12 LEU CA C 13 57.7 . . 1 . . . . . . . . 4087 1 122 . 1 1 12 12 LEU CB C 13 41.9 . . 1 . . . . . . . . 4087 1 123 . 1 1 12 12 LEU CD1 C 13 19.4 . . 1 . . . . . . . . 4087 1 124 . 1 1 12 12 LEU CD2 C 13 23.5 . . 1 . . . . . . . . 4087 1 125 . 1 1 12 12 LEU N N 15 120.6 . . 1 . . . . . . . . 4087 1 126 . 1 1 13 13 LEU H H 1 7.36 . . 1 . . . . . . . . 4087 1 127 . 1 1 13 13 LEU HA H 1 4.38 . . 1 . . . . . . . . 4087 1 128 . 1 1 13 13 LEU HB2 H 1 0.86 . . 2 . . . . . . . . 4087 1 129 . 1 1 13 13 LEU HB3 H 1 1.32 . . 2 . . . . . . . . 4087 1 130 . 1 1 13 13 LEU HG H 1 1.01 . . 1 . . . . . . . . 4087 1 131 . 1 1 13 13 LEU HD11 H 1 -0.12 . . 2 . . . . . . . . 4087 1 132 . 1 1 13 13 LEU HD12 H 1 -0.12 . . 2 . . . . . . . . 4087 1 133 . 1 1 13 13 LEU HD13 H 1 -0.12 . . 2 . . . . . . . . 4087 1 134 . 1 1 13 13 LEU HD21 H 1 0.26 . . 2 . . . . . . . . 4087 1 135 . 1 1 13 13 LEU HD22 H 1 0.26 . . 2 . . . . . . . . 4087 1 136 . 1 1 13 13 LEU HD23 H 1 0.26 . . 2 . . . . . . . . 4087 1 137 . 1 1 13 13 LEU CA C 13 53.8 . . 1 . . . . . . . . 4087 1 138 . 1 1 13 13 LEU CB C 13 42.8 . . 1 . . . . . . . . 4087 1 139 . 1 1 13 13 LEU CG C 13 27.0 . . 1 . . . . . . . . 4087 1 140 . 1 1 13 13 LEU CD1 C 13 24.7 . . 2 . . . . . . . . 4087 1 141 . 1 1 13 13 LEU CD2 C 13 23.1 . . 2 . . . . . . . . 4087 1 142 . 1 1 13 13 LEU N N 15 113.0 . . 1 . . . . . . . . 4087 1 143 . 1 1 14 14 LYS H H 1 8.06 . . 1 . . . . . . . . 4087 1 144 . 1 1 14 14 LYS HA H 1 4.33 . . 1 . . . . . . . . 4087 1 145 . 1 1 14 14 LYS HB2 H 1 1.79 . . 2 . . . . . . . . 4087 1 146 . 1 1 14 14 LYS HB3 H 1 1.92 . . 2 . . . . . . . . 4087 1 147 . 1 1 14 14 LYS HG2 H 1 1.42 . . 1 . . . . . . . . 4087 1 148 . 1 1 14 14 LYS HG3 H 1 1.42 . . 1 . . . . . . . . 4087 1 149 . 1 1 14 14 LYS HD2 H 1 1.70 . . 1 . . . . . . . . 4087 1 150 . 1 1 14 14 LYS HD3 H 1 1.70 . . 1 . . . . . . . . 4087 1 151 . 1 1 14 14 LYS HE2 H 1 3.04 . . 1 . . . . . . . . 4087 1 152 . 1 1 14 14 LYS HE3 H 1 3.04 . . 1 . . . . . . . . 4087 1 153 . 1 1 14 14 LYS CA C 13 56.3 . . 1 . . . . . . . . 4087 1 154 . 1 1 14 14 LYS CB C 13 34.4 . . 1 . . . . . . . . 4087 1 155 . 1 1 14 14 LYS CG C 13 24.2 . . 1 . . . . . . . . 4087 1 156 . 1 1 14 14 LYS CD C 13 27.5 . . 1 . . . . . . . . 4087 1 157 . 1 1 14 14 LYS CE C 13 42.2 . . 1 . . . . . . . . 4087 1 158 . 1 1 14 14 LYS N N 15 117.9 . . 1 . . . . . . . . 4087 1 159 . 1 1 15 15 ALA H H 1 8.31 . . 1 . . . . . . . . 4087 1 160 . 1 1 15 15 ALA HA H 1 4.31 . . 1 . . . . . . . . 4087 1 161 . 1 1 15 15 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 4087 1 162 . 1 1 15 15 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 4087 1 163 . 1 1 15 15 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 4087 1 164 . 1 1 15 15 ALA CA C 13 52.8 . . 1 . . . . . . . . 4087 1 165 . 1 1 15 15 ALA CB C 13 19.7 . . 1 . . . . . . . . 4087 1 166 . 1 1 15 15 ALA N N 15 119.5 . . 1 . . . . . . . . 4087 1 167 . 1 1 16 16 GLY H H 1 8.41 . . 1 . . . . . . . . 4087 1 168 . 1 1 16 16 GLY HA2 H 1 4.01 . . 2 . . . . . . . . 4087 1 169 . 1 1 16 16 GLY HA3 H 1 4.07 . . 2 . . . . . . . . 4087 1 170 . 1 1 16 16 GLY CA C 13 45.5 . . 1 . . . . . . . . 4087 1 171 . 1 1 16 16 GLY N N 15 104.9 . . 1 . . . . . . . . 4087 1 172 . 1 1 17 17 GLY H H 1 8.48 . . 1 . . . . . . . . 4087 1 173 . 1 1 17 17 GLY HA2 H 1 4.07 . . 2 . . . . . . . . 4087 1 174 . 1 1 17 17 GLY HA3 H 1 4.37 . . 2 . . . . . . . . 4087 1 175 . 1 1 17 17 GLY CA C 13 45.4 . . 1 . . . . . . . . 4087 1 176 . 1 1 17 17 GLY N N 15 108.9 . . 1 . . . . . . . . 4087 1 177 . 1 1 18 18 SER H H 1 8.38 . . 1 . . . . . . . . 4087 1 178 . 1 1 18 18 SER HA H 1 4.90 . . 1 . . . . . . . . 4087 1 179 . 1 1 18 18 SER HB2 H 1 3.97 . . 1 . . . . . . . . 4087 1 180 . 1 1 18 18 SER HB3 H 1 3.97 . . 1 . . . . . . . . 4087 1 181 . 1 1 18 18 SER CA C 13 58.7 . . 1 . . . . . . . . 4087 1 182 . 1 1 18 18 SER CB C 13 65.9 . . 1 . . . . . . . . 4087 1 183 . 1 1 18 18 SER N N 15 114.9 . . 1 . . . . . . . . 4087 1 184 . 1 1 19 19 CYS H H 1 9.12 . . 1 . . . . . . . . 4087 1 185 . 1 1 19 19 CYS HA H 1 5.30 . . 1 . . . . . . . . 4087 1 186 . 1 1 19 19 CYS HB2 H 1 2.97 . . 2 . . . . . . . . 4087 1 187 . 1 1 19 19 CYS HB3 H 1 3.03 . . 2 . . . . . . . . 4087 1 188 . 1 1 19 19 CYS CA C 13 58.1 . . 1 . . . . . . . . 4087 1 189 . 1 1 19 19 CYS CB C 13 29.0 . . 1 . . . . . . . . 4087 1 190 . 1 1 19 19 CYS N N 15 121.8 . . 1 . . . . . . . . 4087 1 191 . 1 1 20 20 PHE H H 1 9.17 . . 1 . . . . . . . . 4087 1 192 . 1 1 20 20 PHE HA H 1 6.03 . . 1 . . . . . . . . 4087 1 193 . 1 1 20 20 PHE HB2 H 1 2.96 . . 2 . . . . . . . . 4087 1 194 . 1 1 20 20 PHE HB3 H 1 3.22 . . 2 . . . . . . . . 4087 1 195 . 1 1 20 20 PHE HD1 H 1 6.96 . . 1 . . . . . . . . 4087 1 196 . 1 1 20 20 PHE HD2 H 1 6.96 . . 1 . . . . . . . . 4087 1 197 . 1 1 20 20 PHE HE1 H 1 6.72 . . 1 . . . . . . . . 4087 1 198 . 1 1 20 20 PHE HE2 H 1 6.72 . . 1 . . . . . . . . 4087 1 199 . 1 1 20 20 PHE HZ H 1 6.37 . . 1 . . . . . . . . 4087 1 200 . 1 1 20 20 PHE CA C 13 56.5 . . 1 . . . . . . . . 4087 1 201 . 1 1 20 20 PHE CB C 13 42.2 . . 1 . . . . . . . . 4087 1 202 . 1 1 20 20 PHE CD1 C 13 133.1 . . 1 . . . . . . . . 4087 1 203 . 1 1 20 20 PHE CD2 C 13 133.1 . . 1 . . . . . . . . 4087 1 204 . 1 1 20 20 PHE CZ C 13 128.7 . . 1 . . . . . . . . 4087 1 205 . 1 1 20 20 PHE N N 15 116.9 . . 1 . . . . . . . . 4087 1 206 . 1 1 21 21 ALA H H 1 10.13 . . 1 . . . . . . . . 4087 1 207 . 1 1 21 21 ALA HA H 1 5.55 . . 1 . . . . . . . . 4087 1 208 . 1 1 21 21 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 4087 1 209 . 1 1 21 21 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 4087 1 210 . 1 1 21 21 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 4087 1 211 . 1 1 21 21 ALA CA C 13 51.2 . . 1 . . . . . . . . 4087 1 212 . 1 1 21 21 ALA CB C 13 22.5 . . 1 . . . . . . . . 4087 1 213 . 1 1 21 21 ALA N N 15 120.7 . . 1 . . . . . . . . 4087 1 214 . 1 1 22 22 LEU H H 1 9.14 . . 1 . . . . . . . . 4087 1 215 . 1 1 22 22 LEU HA H 1 5.31 . . 1 . . . . . . . . 4087 1 216 . 1 1 22 22 LEU HB2 H 1 1.50 . . 2 . . . . . . . . 4087 1 217 . 1 1 22 22 LEU HB3 H 1 1.75 . . 2 . . . . . . . . 4087 1 218 . 1 1 22 22 LEU HG H 1 1.57 . . 1 . . . . . . . . 4087 1 219 . 1 1 22 22 LEU HD11 H 1 0.88 . . 1 . . . . . . . . 4087 1 220 . 1 1 22 22 LEU HD12 H 1 0.88 . . 1 . . . . . . . . 4087 1 221 . 1 1 22 22 LEU HD13 H 1 0.88 . . 1 . . . . . . . . 4087 1 222 . 1 1 22 22 LEU HD21 H 1 0.88 . . 1 . . . . . . . . 4087 1 223 . 1 1 22 22 LEU HD22 H 1 0.88 . . 1 . . . . . . . . 4087 1 224 . 1 1 22 22 LEU HD23 H 1 0.88 . . 1 . . . . . . . . 4087 1 225 . 1 1 22 22 LEU CA C 13 54.1 . . 1 . . . . . . . . 4087 1 226 . 1 1 22 22 LEU CB C 13 45.7 . . 1 . . . . . . . . 4087 1 227 . 1 1 22 22 LEU CG C 13 28.3 . . 1 . . . . . . . . 4087 1 228 . 1 1 22 22 LEU CD1 C 13 24.1 . . 2 . . . . . . . . 4087 1 229 . 1 1 22 22 LEU CD2 C 13 25.8 . . 2 . . . . . . . . 4087 1 230 . 1 1 22 22 LEU N N 15 120.0 . . 1 . . . . . . . . 4087 1 231 . 1 1 23 23 ILE H H 1 8.47 . . 1 . . . . . . . . 4087 1 232 . 1 1 23 23 ILE HA H 1 5.05 . . 1 . . . . . . . . 4087 1 233 . 1 1 23 23 ILE HB H 1 1.43 . . 1 . . . . . . . . 4087 1 234 . 1 1 23 23 ILE HG12 H 1 1.24 . . 2 . . . . . . . . 4087 1 235 . 1 1 23 23 ILE HG13 H 1 1.34 . . 2 . . . . . . . . 4087 1 236 . 1 1 23 23 ILE HG21 H 1 0.35 . . 1 . . . . . . . . 4087 1 237 . 1 1 23 23 ILE HG22 H 1 0.35 . . 1 . . . . . . . . 4087 1 238 . 1 1 23 23 ILE HG23 H 1 0.35 . . 1 . . . . . . . . 4087 1 239 . 1 1 23 23 ILE HD11 H 1 0.91 . . 1 . . . . . . . . 4087 1 240 . 1 1 23 23 ILE HD12 H 1 0.91 . . 1 . . . . . . . . 4087 1 241 . 1 1 23 23 ILE HD13 H 1 0.91 . . 1 . . . . . . . . 4087 1 242 . 1 1 23 23 ILE CA C 13 60.0 . . 1 . . . . . . . . 4087 1 243 . 1 1 23 23 ILE CB C 13 40.2 . . 1 . . . . . . . . 4087 1 244 . 1 1 23 23 ILE CG1 C 13 27.2 . . 1 . . . . . . . . 4087 1 245 . 1 1 23 23 ILE CG2 C 13 19.1 . . 1 . . . . . . . . 4087 1 246 . 1 1 23 23 ILE CD1 C 13 15.2 . . 1 . . . . . . . . 4087 1 247 . 1 1 23 23 ILE N N 15 126.2 . . 1 . . . . . . . . 4087 1 248 . 1 1 24 24 SER H H 1 8.70 . . 1 . . . . . . . . 4087 1 249 . 1 1 24 24 SER HA H 1 5.60 . . 1 . . . . . . . . 4087 1 250 . 1 1 24 24 SER HB2 H 1 3.48 . . 2 . . . . . . . . 4087 1 251 . 1 1 24 24 SER HB3 H 1 3.68 . . 2 . . . . . . . . 4087 1 252 . 1 1 24 24 SER CA C 13 55.5 . . 1 . . . . . . . . 4087 1 253 . 1 1 24 24 SER CB C 13 67.5 . . 1 . . . . . . . . 4087 1 254 . 1 1 24 24 SER N N 15 114.1 . . 1 . . . . . . . . 4087 1 255 . 1 1 25 25 GLY H H 1 8.18 . . 1 . . . . . . . . 4087 1 256 . 1 1 25 25 GLY HA2 H 1 3.91 . . 2 . . . . . . . . 4087 1 257 . 1 1 25 25 GLY HA3 H 1 4.19 . . 2 . . . . . . . . 4087 1 258 . 1 1 25 25 GLY CA C 13 45.9 . . 1 . . . . . . . . 4087 1 259 . 1 1 25 25 GLY N N 15 104.2 . . 1 . . . . . . . . 4087 1 260 . 1 1 26 26 THR H H 1 8.75 . . 1 . . . . . . . . 4087 1 261 . 1 1 26 26 THR HA H 1 4.76 . . 1 . . . . . . . . 4087 1 262 . 1 1 26 26 THR HB H 1 4.78 . . 1 . . . . . . . . 4087 1 263 . 1 1 26 26 THR HG21 H 1 1.35 . . 1 . . . . . . . . 4087 1 264 . 1 1 26 26 THR HG22 H 1 1.35 . . 1 . . . . . . . . 4087 1 265 . 1 1 26 26 THR HG23 H 1 1.35 . . 1 . . . . . . . . 4087 1 266 . 1 1 26 26 THR CA C 13 61.9 . . 1 . . . . . . . . 4087 1 267 . 1 1 26 26 THR CB C 13 70.6 . . 1 . . . . . . . . 4087 1 268 . 1 1 26 26 THR CG2 C 13 22.2 . . 1 . . . . . . . . 4087 1 269 . 1 1 26 26 THR N N 15 108.9 . . 1 . . . . . . . . 4087 1 270 . 1 1 27 27 ALA H H 1 9.20 . . 1 . . . . . . . . 4087 1 271 . 1 1 27 27 ALA HA H 1 3.75 . . 1 . . . . . . . . 4087 1 272 . 1 1 27 27 ALA HB1 H 1 1.65 . . 1 . . . . . . . . 4087 1 273 . 1 1 27 27 ALA HB2 H 1 1.65 . . 1 . . . . . . . . 4087 1 274 . 1 1 27 27 ALA HB3 H 1 1.65 . . 1 . . . . . . . . 4087 1 275 . 1 1 27 27 ALA CA C 13 56.5 . . 1 . . . . . . . . 4087 1 276 . 1 1 27 27 ALA CB C 13 17.9 . . 1 . . . . . . . . 4087 1 277 . 1 1 27 27 ALA N N 15 121.0 . . 1 . . . . . . . . 4087 1 278 . 1 1 28 28 ASN H H 1 8.80 . . 1 . . . . . . . . 4087 1 279 . 1 1 28 28 ASN HA H 1 4.54 . . 1 . . . . . . . . 4087 1 280 . 1 1 28 28 ASN HB2 H 1 2.77 . . 2 . . . . . . . . 4087 1 281 . 1 1 28 28 ASN HB3 H 1 2.82 . . 2 . . . . . . . . 4087 1 282 . 1 1 28 28 ASN HD21 H 1 6.99 . . 2 . . . . . . . . 4087 1 283 . 1 1 28 28 ASN HD22 H 1 7.65 . . 2 . . . . . . . . 4087 1 284 . 1 1 28 28 ASN CA C 13 56.5 . . 1 . . . . . . . . 4087 1 285 . 1 1 28 28 ASN CB C 13 38.8 . . 1 . . . . . . . . 4087 1 286 . 1 1 28 28 ASN N N 15 112.6 . . 1 . . . . . . . . 4087 1 287 . 1 1 28 28 ASN ND2 N 15 110.7 . . 1 . . . . . . . . 4087 1 288 . 1 1 29 29 GLN H H 1 7.85 . . 1 . . . . . . . . 4087 1 289 . 1 1 29 29 GLN HA H 1 4.00 . . 1 . . . . . . . . 4087 1 290 . 1 1 29 29 GLN HB2 H 1 2.34 . . 1 . . . . . . . . 4087 1 291 . 1 1 29 29 GLN HB3 H 1 2.34 . . 1 . . . . . . . . 4087 1 292 . 1 1 29 29 GLN HG2 H 1 2.34 . . 2 . . . . . . . . 4087 1 293 . 1 1 29 29 GLN HG3 H 1 2.58 . . 2 . . . . . . . . 4087 1 294 . 1 1 29 29 GLN HE21 H 1 6.73 . . 2 . . . . . . . . 4087 1 295 . 1 1 29 29 GLN HE22 H 1 7.28 . . 2 . . . . . . . . 4087 1 296 . 1 1 29 29 GLN CA C 13 59.5 . . 1 . . . . . . . . 4087 1 297 . 1 1 29 29 GLN CB C 13 28.4 . . 1 . . . . . . . . 4087 1 298 . 1 1 29 29 GLN CG C 13 34.9 . . 1 . . . . . . . . 4087 1 299 . 1 1 29 29 GLN N N 15 117.4 . . 1 . . . . . . . . 4087 1 300 . 1 1 29 29 GLN NE2 N 15 108.8 . . 1 . . . . . . . . 4087 1 301 . 1 1 30 30 VAL H H 1 8.50 . . 1 . . . . . . . . 4087 1 302 . 1 1 30 30 VAL HA H 1 3.38 . . 1 . . . . . . . . 4087 1 303 . 1 1 30 30 VAL HB H 1 1.75 . . 1 . . . . . . . . 4087 1 304 . 1 1 30 30 VAL HG11 H 1 0.57 . . 1 . . . . . . . . 4087 1 305 . 1 1 30 30 VAL HG12 H 1 0.57 . . 1 . . . . . . . . 4087 1 306 . 1 1 30 30 VAL HG13 H 1 0.57 . . 1 . . . . . . . . 4087 1 307 . 1 1 30 30 VAL HG21 H 1 0.57 . . 1 . . . . . . . . 4087 1 308 . 1 1 30 30 VAL HG22 H 1 0.57 . . 1 . . . . . . . . 4087 1 309 . 1 1 30 30 VAL HG23 H 1 0.57 . . 1 . . . . . . . . 4087 1 310 . 1 1 30 30 VAL CA C 13 67.1 . . 1 . . . . . . . . 4087 1 311 . 1 1 30 30 VAL CB C 13 31.1 . . 1 . . . . . . . . 4087 1 312 . 1 1 30 30 VAL CG1 C 13 23.7 . . 1 . . . . . . . . 4087 1 313 . 1 1 30 30 VAL CG2 C 13 23.7 . . 1 . . . . . . . . 4087 1 314 . 1 1 30 30 VAL N N 15 115.5 . . 1 . . . . . . . . 4087 1 315 . 1 1 31 31 LYS H H 1 7.88 . . 1 . . . . . . . . 4087 1 316 . 1 1 31 31 LYS HA H 1 3.93 . . 1 . . . . . . . . 4087 1 317 . 1 1 31 31 LYS HB2 H 1 2.01 . . 2 . . . . . . . . 4087 1 318 . 1 1 31 31 LYS HB3 H 1 2.14 . . 2 . . . . . . . . 4087 1 319 . 1 1 31 31 LYS HG2 H 1 1.34 . . 2 . . . . . . . . 4087 1 320 . 1 1 31 31 LYS HG3 H 1 1.52 . . 2 . . . . . . . . 4087 1 321 . 1 1 31 31 LYS HD2 H 1 1.75 . . 1 . . . . . . . . 4087 1 322 . 1 1 31 31 LYS HD3 H 1 1.75 . . 1 . . . . . . . . 4087 1 323 . 1 1 31 31 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 4087 1 324 . 1 1 31 31 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 4087 1 325 . 1 1 31 31 LYS CA C 13 60.2 . . 1 . . . . . . . . 4087 1 326 . 1 1 31 31 LYS CB C 13 32.5 . . 1 . . . . . . . . 4087 1 327 . 1 1 31 31 LYS CG C 13 25.0 . . 1 . . . . . . . . 4087 1 328 . 1 1 31 31 LYS CD C 13 29.8 . . 1 . . . . . . . . 4087 1 329 . 1 1 31 31 LYS CE C 13 42.1 . . 1 . . . . . . . . 4087 1 330 . 1 1 31 31 LYS N N 15 118.5 . . 1 . . . . . . . . 4087 1 331 . 1 1 32 32 CYS H H 1 7.90 . . 1 . . . . . . . . 4087 1 332 . 1 1 32 32 CYS HA H 1 4.23 . . 1 . . . . . . . . 4087 1 333 . 1 1 32 32 CYS HB2 H 1 2.98 . . 2 . . . . . . . . 4087 1 334 . 1 1 32 32 CYS HB3 H 1 3.08 . . 2 . . . . . . . . 4087 1 335 . 1 1 32 32 CYS CA C 13 63.4 . . 1 . . . . . . . . 4087 1 336 . 1 1 32 32 CYS CB C 13 26.9 . . 1 . . . . . . . . 4087 1 337 . 1 1 32 32 CYS N N 15 114.8 . . 1 . . . . . . . . 4087 1 338 . 1 1 33 33 TYR H H 1 8.37 . . 1 . . . . . . . . 4087 1 339 . 1 1 33 33 TYR HA H 1 4.08 . . 1 . . . . . . . . 4087 1 340 . 1 1 33 33 TYR HB2 H 1 2.91 . . 2 . . . . . . . . 4087 1 341 . 1 1 33 33 TYR HB3 H 1 3.03 . . 2 . . . . . . . . 4087 1 342 . 1 1 33 33 TYR HD1 H 1 6.72 . . 1 . . . . . . . . 4087 1 343 . 1 1 33 33 TYR HD2 H 1 6.72 . . 1 . . . . . . . . 4087 1 344 . 1 1 33 33 TYR HE1 H 1 6.65 . . 1 . . . . . . . . 4087 1 345 . 1 1 33 33 TYR HE2 H 1 6.65 . . 1 . . . . . . . . 4087 1 346 . 1 1 33 33 TYR CA C 13 61.9 . . 1 . . . . . . . . 4087 1 347 . 1 1 33 33 TYR CB C 13 39.8 . . 1 . . . . . . . . 4087 1 348 . 1 1 33 33 TYR CD1 C 13 132.3 . . 1 . . . . . . . . 4087 1 349 . 1 1 33 33 TYR CD2 C 13 132.3 . . 1 . . . . . . . . 4087 1 350 . 1 1 33 33 TYR CE1 C 13 118.0 . . 1 . . . . . . . . 4087 1 351 . 1 1 33 33 TYR CE2 C 13 118.0 . . 1 . . . . . . . . 4087 1 352 . 1 1 33 33 TYR N N 15 119.7 . . 1 . . . . . . . . 4087 1 353 . 1 1 34 34 ARG H H 1 8.68 . . 1 . . . . . . . . 4087 1 354 . 1 1 34 34 ARG HA H 1 3.81 . . 1 . . . . . . . . 4087 1 355 . 1 1 34 34 ARG HB2 H 1 1.90 . . 2 . . . . . . . . 4087 1 356 . 1 1 34 34 ARG HB3 H 1 2.09 . . 2 . . . . . . . . 4087 1 357 . 1 1 34 34 ARG HG2 H 1 1.61 . . 2 . . . . . . . . 4087 1 358 . 1 1 34 34 ARG HG3 H 1 1.75 . . 2 . . . . . . . . 4087 1 359 . 1 1 34 34 ARG HD2 H 1 3.22 . . 2 . . . . . . . . 4087 1 360 . 1 1 34 34 ARG HD3 H 1 3.35 . . 2 . . . . . . . . 4087 1 361 . 1 1 34 34 ARG CA C 13 59.8 . . 1 . . . . . . . . 4087 1 362 . 1 1 34 34 ARG CD C 13 45.3 . . 1 . . . . . . . . 4087 1 363 . 1 1 34 34 ARG N N 15 114.1 . . 1 . . . . . . . . 4087 1 364 . 1 1 35 35 PHE H H 1 8.05 . . 1 . . . . . . . . 4087 1 365 . 1 1 35 35 PHE HA H 1 4.20 . . 1 . . . . . . . . 4087 1 366 . 1 1 35 35 PHE HB2 H 1 3.25 . . 2 . . . . . . . . 4087 1 367 . 1 1 35 35 PHE HB3 H 1 3.33 . . 2 . . . . . . . . 4087 1 368 . 1 1 35 35 PHE HD1 H 1 7.31 . . 1 . . . . . . . . 4087 1 369 . 1 1 35 35 PHE HD2 H 1 7.31 . . 1 . . . . . . . . 4087 1 370 . 1 1 35 35 PHE HE1 H 1 7.41 . . 1 . . . . . . . . 4087 1 371 . 1 1 35 35 PHE HE2 H 1 7.41 . . 1 . . . . . . . . 4087 1 372 . 1 1 35 35 PHE HZ H 1 7.27 . . 4 . . . . . . . . 4087 1 373 . 1 1 35 35 PHE CA C 13 61.5 . . 1 . . . . . . . . 4087 1 374 . 1 1 35 35 PHE CB C 13 39.0 . . 1 . . . . . . . . 4087 1 375 . 1 1 35 35 PHE CD1 C 13 132.5 . . 1 . . . . . . . . 4087 1 376 . 1 1 35 35 PHE CD2 C 13 132.5 . . 1 . . . . . . . . 4087 1 377 . 1 1 35 35 PHE CE1 C 13 131.7 . . 1 . . . . . . . . 4087 1 378 . 1 1 35 35 PHE CE2 C 13 131.7 . . 1 . . . . . . . . 4087 1 379 . 1 1 35 35 PHE CZ C 13 132.6 . . 4 . . . . . . . . 4087 1 380 . 1 1 35 35 PHE N N 15 114.8 . . 1 . . . . . . . . 4087 1 381 . 1 1 36 36 ARG H H 1 7.95 . . 1 . . . . . . . . 4087 1 382 . 1 1 36 36 ARG HA H 1 3.95 . . 1 . . . . . . . . 4087 1 383 . 1 1 36 36 ARG HB2 H 1 1.37 . . 2 . . . . . . . . 4087 1 384 . 1 1 36 36 ARG HB3 H 1 1.50 . . 2 . . . . . . . . 4087 1 385 . 1 1 36 36 ARG HG2 H 1 1.23 . . 2 . . . . . . . . 4087 1 386 . 1 1 36 36 ARG HG3 H 1 1.36 . . 2 . . . . . . . . 4087 1 387 . 1 1 36 36 ARG HD2 H 1 2.87 . . 1 . . . . . . . . 4087 1 388 . 1 1 36 36 ARG HD3 H 1 2.87 . . 1 . . . . . . . . 4087 1 389 . 1 1 36 36 ARG CA C 13 55.9 . . 1 . . . . . . . . 4087 1 390 . 1 1 36 36 ARG CB C 13 29.5 . . 1 . . . . . . . . 4087 1 391 . 1 1 36 36 ARG CG C 13 27.2 . . 1 . . . . . . . . 4087 1 392 . 1 1 36 36 ARG CD C 13 43.4 . . 1 . . . . . . . . 4087 1 393 . 1 1 36 36 ARG N N 15 115.6 . . 1 . . . . . . . . 4087 1 394 . 1 1 37 37 VAL H H 1 8.29 . . 1 . . . . . . . . 4087 1 395 . 1 1 37 37 VAL HA H 1 3.88 . . 1 . . . . . . . . 4087 1 396 . 1 1 37 37 VAL HB H 1 2.04 . . 1 . . . . . . . . 4087 1 397 . 1 1 37 37 VAL HG11 H 1 0.67 . . 2 . . . . . . . . 4087 1 398 . 1 1 37 37 VAL HG12 H 1 0.67 . . 2 . . . . . . . . 4087 1 399 . 1 1 37 37 VAL HG13 H 1 0.67 . . 2 . . . . . . . . 4087 1 400 . 1 1 37 37 VAL HG21 H 1 0.68 . . 2 . . . . . . . . 4087 1 401 . 1 1 37 37 VAL HG22 H 1 0.68 . . 2 . . . . . . . . 4087 1 402 . 1 1 37 37 VAL HG23 H 1 0.68 . . 2 . . . . . . . . 4087 1 403 . 1 1 37 37 VAL CA C 13 66.3 . . 1 . . . . . . . . 4087 1 404 . 1 1 37 37 VAL CB C 13 31.1 . . 1 . . . . . . . . 4087 1 405 . 1 1 37 37 VAL CG1 C 13 23.3 . . 2 . . . . . . . . 4087 1 406 . 1 1 37 37 VAL CG2 C 13 21.8 . . 2 . . . . . . . . 4087 1 407 . 1 1 37 37 VAL N N 15 115.3 . . 1 . . . . . . . . 4087 1 408 . 1 1 38 38 LYS H H 1 8.15 . . 1 . . . . . . . . 4087 1 409 . 1 1 38 38 LYS HA H 1 4.46 . . 1 . . . . . . . . 4087 1 410 . 1 1 38 38 LYS HB2 H 1 1.86 . . 2 . . . . . . . . 4087 1 411 . 1 1 38 38 LYS HB3 H 1 2.06 . . 2 . . . . . . . . 4087 1 412 . 1 1 38 38 LYS HG2 H 1 1.58 . . 2 . . . . . . . . 4087 1 413 . 1 1 38 38 LYS HG3 H 1 1.47 . . 2 . . . . . . . . 4087 1 414 . 1 1 38 38 LYS HD2 H 1 1.66 . . 1 . . . . . . . . 4087 1 415 . 1 1 38 38 LYS HD3 H 1 1.66 . . 1 . . . . . . . . 4087 1 416 . 1 1 38 38 LYS HE2 H 1 2.97 . . 1 . . . . . . . . 4087 1 417 . 1 1 38 38 LYS HE3 H 1 2.97 . . 1 . . . . . . . . 4087 1 418 . 1 1 38 38 LYS CA C 13 59.0 . . 1 . . . . . . . . 4087 1 419 . 1 1 38 38 LYS CB C 13 33.0 . . 4 . . . . . . . . 4087 1 420 . 1 1 38 38 LYS CG C 13 25.0 . . 4 . . . . . . . . 4087 1 421 . 1 1 38 38 LYS CD C 13 30.2 . . 1 . . . . . . . . 4087 1 422 . 1 1 38 38 LYS CE C 13 42.1 . . 1 . . . . . . . . 4087 1 423 . 1 1 38 38 LYS N N 15 118.8 . . 1 . . . . . . . . 4087 1 424 . 1 1 39 39 LYS H H 1 7.65 . . 1 . . . . . . . . 4087 1 425 . 1 1 39 39 LYS HA H 1 4.08 . . 1 . . . . . . . . 4087 1 426 . 1 1 39 39 LYS HB2 H 1 1.54 . . 2 . . . . . . . . 4087 1 427 . 1 1 39 39 LYS HB3 H 1 1.57 . . 2 . . . . . . . . 4087 1 428 . 1 1 39 39 LYS HG2 H 1 1.23 . . 1 . . . . . . . . 4087 1 429 . 1 1 39 39 LYS HG3 H 1 1.23 . . 1 . . . . . . . . 4087 1 430 . 1 1 39 39 LYS HD2 H 1 1.23 . . 1 . . . . . . . . 4087 1 431 . 1 1 39 39 LYS HD3 H 1 1.23 . . 1 . . . . . . . . 4087 1 432 . 1 1 39 39 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 4087 1 433 . 1 1 39 39 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 4087 1 434 . 1 1 39 39 LYS CA C 13 58.3 . . 1 . . . . . . . . 4087 1 435 . 1 1 39 39 LYS CB C 13 33.2 . . 1 . . . . . . . . 4087 1 436 . 1 1 39 39 LYS CG C 13 24.7 . . 1 . . . . . . . . 4087 1 437 . 1 1 39 39 LYS CD C 13 29.9 . . 9 . . . . . . . . 4087 1 438 . 1 1 39 39 LYS CE C 13 42.1 . . 1 . . . . . . . . 4087 1 439 . 1 1 39 39 LYS N N 15 113.2 . . 1 . . . . . . . . 4087 1 440 . 1 1 40 40 ASN H H 1 7.96 . . 1 . . . . . . . . 4087 1 441 . 1 1 40 40 ASN HA H 1 4.86 . . 1 . . . . . . . . 4087 1 442 . 1 1 40 40 ASN HB2 H 1 2.32 . . 2 . . . . . . . . 4087 1 443 . 1 1 40 40 ASN HB3 H 1 2.48 . . 2 . . . . . . . . 4087 1 444 . 1 1 40 40 ASN HD21 H 1 6.72 . . 2 . . . . . . . . 4087 1 445 . 1 1 40 40 ASN HD22 H 1 7.43 . . 2 . . . . . . . . 4087 1 446 . 1 1 40 40 ASN CA C 13 54.3 . . 1 . . . . . . . . 4087 1 447 . 1 1 40 40 ASN CB C 13 41.5 . . 1 . . . . . . . . 4087 1 448 . 1 1 40 40 ASN N N 15 109.8 . . 1 . . . . . . . . 4087 1 449 . 1 1 40 40 ASN ND2 N 15 110.0 . . 1 . . . . . . . . 4087 1 450 . 1 1 41 41 HIS H H 1 8.03 . . 1 . . . . . . . . 4087 1 451 . 1 1 41 41 HIS HA H 1 4.95 . . 1 . . . . . . . . 4087 1 452 . 1 1 41 41 HIS HB2 H 1 2.96 . . 2 . . . . . . . . 4087 1 453 . 1 1 41 41 HIS HB3 H 1 3.22 . . 2 . . . . . . . . 4087 1 454 . 1 1 41 41 HIS HD2 H 1 6.48 . . 1 . . . . . . . . 4087 1 455 . 1 1 41 41 HIS HE1 H 1 7.67 . . 1 . . . . . . . . 4087 1 456 . 1 1 41 41 HIS CA C 13 55.1 . . 1 . . . . . . . . 4087 1 457 . 1 1 41 41 HIS CB C 13 32.8 . . 1 . . . . . . . . 4087 1 458 . 1 1 41 41 HIS CD2 C 13 118.0 . . 1 . . . . . . . . 4087 1 459 . 1 1 41 41 HIS CE1 C 13 139.3 . . 1 . . . . . . . . 4087 1 460 . 1 1 41 41 HIS N N 15 114.8 . . 1 . . . . . . . . 4087 1 461 . 1 1 42 42 ARG H H 1 8.16 . . 1 . . . . . . . . 4087 1 462 . 1 1 42 42 ARG HA H 1 4.22 . . 1 . . . . . . . . 4087 1 463 . 1 1 42 42 ARG HB2 H 1 1.78 . . 2 . . . . . . . . 4087 1 464 . 1 1 42 42 ARG HB3 H 1 2.25 . . 2 . . . . . . . . 4087 1 465 . 1 1 42 42 ARG HG2 H 1 1.74 . . 2 . . . . . . . . 4087 1 466 . 1 1 42 42 ARG HG3 H 1 1.95 . . 2 . . . . . . . . 4087 1 467 . 1 1 42 42 ARG HD2 H 1 3.13 . . 1 . . . . . . . . 4087 1 468 . 1 1 42 42 ARG HD3 H 1 3.13 . . 1 . . . . . . . . 4087 1 469 . 1 1 42 42 ARG CA C 13 57.6 . . 1 . . . . . . . . 4087 1 470 . 1 1 42 42 ARG N N 15 118.8 . . 1 . . . . . . . . 4087 1 471 . 1 1 43 43 HIS H H 1 8.65 . . 1 . . . . . . . . 4087 1 472 . 1 1 43 43 HIS HA H 1 4.63 . . 1 . . . . . . . . 4087 1 473 . 1 1 43 43 HIS HB2 H 1 3.03 . . 2 . . . . . . . . 4087 1 474 . 1 1 43 43 HIS HB3 H 1 3.27 . . 2 . . . . . . . . 4087 1 475 . 1 1 43 43 HIS HD2 H 1 6.79 . . 1 . . . . . . . . 4087 1 476 . 1 1 43 43 HIS HE1 H 1 8.27 . . 1 . . . . . . . . 4087 1 477 . 1 1 43 43 HIS CA C 13 56.0 . . 1 . . . . . . . . 4087 1 478 . 1 1 43 43 HIS CB C 13 29.0 . . 1 . . . . . . . . 4087 1 479 . 1 1 43 43 HIS CD2 C 13 118.3 . . 1 . . . . . . . . 4087 1 480 . 1 1 43 43 HIS CE1 C 13 136.8 . . 1 . . . . . . . . 4087 1 481 . 1 1 43 43 HIS N N 15 108.1 . . 1 . . . . . . . . 4087 1 482 . 1 1 44 44 ARG H H 1 8.17 . . 1 . . . . . . . . 4087 1 483 . 1 1 44 44 ARG HA H 1 4.62 . . 1 . . . . . . . . 4087 1 484 . 1 1 44 44 ARG HB2 H 1 2.05 . . 2 . . . . . . . . 4087 1 485 . 1 1 44 44 ARG HB3 H 1 2.16 . . 2 . . . . . . . . 4087 1 486 . 1 1 44 44 ARG CA C 13 61.8 . . 1 . . . . . . . . 4087 1 487 . 1 1 44 44 ARG N N 15 116.3 . . 1 . . . . . . . . 4087 1 488 . 1 1 45 45 TYR H H 1 7.28 . . 1 . . . . . . . . 4087 1 489 . 1 1 45 45 TYR HA H 1 4.83 . . 1 . . . . . . . . 4087 1 490 . 1 1 45 45 TYR HB2 H 1 2.42 . . 2 . . . . . . . . 4087 1 491 . 1 1 45 45 TYR HB3 H 1 2.57 . . 2 . . . . . . . . 4087 1 492 . 1 1 45 45 TYR HD1 H 1 6.77 . . 1 . . . . . . . . 4087 1 493 . 1 1 45 45 TYR HD2 H 1 6.77 . . 1 . . . . . . . . 4087 1 494 . 1 1 45 45 TYR HE1 H 1 6.44 . . 1 . . . . . . . . 4087 1 495 . 1 1 45 45 TYR HE2 H 1 6.44 . . 1 . . . . . . . . 4087 1 496 . 1 1 45 45 TYR CA C 13 56.0 . . 1 . . . . . . . . 4087 1 497 . 1 1 45 45 TYR CB C 13 40.7 . . 1 . . . . . . . . 4087 1 498 . 1 1 45 45 TYR CD1 C 13 133.8 . . 1 . . . . . . . . 4087 1 499 . 1 1 45 45 TYR CD2 C 13 133.8 . . 1 . . . . . . . . 4087 1 500 . 1 1 45 45 TYR CE1 C 13 117.8 . . 1 . . . . . . . . 4087 1 501 . 1 1 45 45 TYR CE2 C 13 117.8 . . 1 . . . . . . . . 4087 1 502 . 1 1 45 45 TYR N N 15 109.5 . . 1 . . . . . . . . 4087 1 503 . 1 1 46 46 GLU H H 1 8.86 . . 1 . . . . . . . . 4087 1 504 . 1 1 46 46 GLU HA H 1 4.45 . . 1 . . . . . . . . 4087 1 505 . 1 1 46 46 GLU HB2 H 1 1.80 . . 1 . . . . . . . . 4087 1 506 . 1 1 46 46 GLU HB3 H 1 1.80 . . 1 . . . . . . . . 4087 1 507 . 1 1 46 46 GLU HG2 H 1 2.04 . . 2 . . . . . . . . 4087 1 508 . 1 1 46 46 GLU HG3 H 1 2.07 . . 2 . . . . . . . . 4087 1 509 . 1 1 46 46 GLU CA C 13 59.0 . . 1 . . . . . . . . 4087 1 510 . 1 1 46 46 GLU CB C 13 30.0 . . 1 . . . . . . . . 4087 1 511 . 1 1 46 46 GLU CG C 13 37.6 . . 1 . . . . . . . . 4087 1 512 . 1 1 46 46 GLU N N 15 117.9 . . 1 . . . . . . . . 4087 1 513 . 1 1 47 47 ASN H H 1 7.96 . . 1 . . . . . . . . 4087 1 514 . 1 1 47 47 ASN HA H 1 5.32 . . 1 . . . . . . . . 4087 1 515 . 1 1 47 47 ASN HB2 H 1 2.59 . . 2 . . . . . . . . 4087 1 516 . 1 1 47 47 ASN HB3 H 1 2.67 . . 2 . . . . . . . . 4087 1 517 . 1 1 47 47 ASN HD21 H 1 7.12 . . 2 . . . . . . . . 4087 1 518 . 1 1 47 47 ASN HD22 H 1 8.07 . . 2 . . . . . . . . 4087 1 519 . 1 1 47 47 ASN CA C 13 52.8 . . 1 . . . . . . . . 4087 1 520 . 1 1 47 47 ASN CB C 13 44.6 . . 1 . . . . . . . . 4087 1 521 . 1 1 47 47 ASN N N 15 114.2 . . 1 . . . . . . . . 4087 1 522 . 1 1 47 47 ASN ND2 N 15 113.5 . . 1 . . . . . . . . 4087 1 523 . 1 1 48 48 CYS H H 1 9.22 . . 1 . . . . . . . . 4087 1 524 . 1 1 48 48 CYS HA H 1 5.65 . . 1 . . . . . . . . 4087 1 525 . 1 1 48 48 CYS HB2 H 1 2.64 . . 2 . . . . . . . . 4087 1 526 . 1 1 48 48 CYS HB3 H 1 2.73 . . 2 . . . . . . . . 4087 1 527 . 1 1 48 48 CYS CA C 13 56.6 . . 1 . . . . . . . . 4087 1 528 . 1 1 48 48 CYS CB C 13 31.1 . . 1 . . . . . . . . 4087 1 529 . 1 1 48 48 CYS N N 15 112.8 . . 1 . . . . . . . . 4087 1 530 . 1 1 49 49 THR H H 1 7.88 . . 1 . . . . . . . . 4087 1 531 . 1 1 49 49 THR HA H 1 5.71 . . 1 . . . . . . . . 4087 1 532 . 1 1 49 49 THR HB H 1 4.80 . . 1 . . . . . . . . 4087 1 533 . 1 1 49 49 THR HG21 H 1 0.80 . . 1 . . . . . . . . 4087 1 534 . 1 1 49 49 THR HG22 H 1 0.80 . . 1 . . . . . . . . 4087 1 535 . 1 1 49 49 THR HG23 H 1 0.80 . . 1 . . . . . . . . 4087 1 536 . 1 1 49 49 THR CA C 13 61.6 . . 1 . . . . . . . . 4087 1 537 . 1 1 49 49 THR CB C 13 74.3 . . 1 . . . . . . . . 4087 1 538 . 1 1 49 49 THR CG2 C 13 23.1 . . 1 . . . . . . . . 4087 1 539 . 1 1 49 49 THR N N 15 108.7 . . 1 . . . . . . . . 4087 1 540 . 1 1 50 50 THR H H 1 8.87 . . 1 . . . . . . . . 4087 1 541 . 1 1 50 50 THR HA H 1 4.26 . . 1 . . . . . . . . 4087 1 542 . 1 1 50 50 THR HB H 1 5.08 . . 1 . . . . . . . . 4087 1 543 . 1 1 50 50 THR HG21 H 1 1.58 . . 1 . . . . . . . . 4087 1 544 . 1 1 50 50 THR HG22 H 1 1.58 . . 1 . . . . . . . . 4087 1 545 . 1 1 50 50 THR HG23 H 1 1.58 . . 1 . . . . . . . . 4087 1 546 . 1 1 50 50 THR CA C 13 63.4 . . 1 . . . . . . . . 4087 1 547 . 1 1 50 50 THR CB C 13 69.8 . . 1 . . . . . . . . 4087 1 548 . 1 1 50 50 THR CG2 C 13 24.3 . . 1 . . . . . . . . 4087 1 549 . 1 1 50 50 THR N N 15 106.1 . . 1 . . . . . . . . 4087 1 550 . 1 1 51 51 THR H H 1 8.75 . . 1 . . . . . . . . 4087 1 551 . 1 1 51 51 THR HA H 1 4.19 . . 1 . . . . . . . . 4087 1 552 . 1 1 51 51 THR HB H 1 4.12 . . 1 . . . . . . . . 4087 1 553 . 1 1 51 51 THR HG21 H 1 0.95 . . 1 . . . . . . . . 4087 1 554 . 1 1 51 51 THR HG22 H 1 0.95 . . 1 . . . . . . . . 4087 1 555 . 1 1 51 51 THR HG23 H 1 0.95 . . 1 . . . . . . . . 4087 1 556 . 1 1 51 51 THR CA C 13 64.0 . . 1 . . . . . . . . 4087 1 557 . 1 1 51 51 THR CB C 13 70.1 . . 1 . . . . . . . . 4087 1 558 . 1 1 51 51 THR CG2 C 13 24.5 . . 1 . . . . . . . . 4087 1 559 . 1 1 51 51 THR N N 15 115.8 . . 1 . . . . . . . . 4087 1 560 . 1 1 52 52 TRP H H 1 9.00 . . 1 . . . . . . . . 4087 1 561 . 1 1 52 52 TRP HA H 1 4.88 . . 1 . . . . . . . . 4087 1 562 . 1 1 52 52 TRP HB2 H 1 3.05 . . 2 . . . . . . . . 4087 1 563 . 1 1 52 52 TRP HB3 H 1 3.51 . . 2 . . . . . . . . 4087 1 564 . 1 1 52 52 TRP HD1 H 1 6.82 . . 1 . . . . . . . . 4087 1 565 . 1 1 52 52 TRP HE1 H 1 7.12 . . 1 . . . . . . . . 4087 1 566 . 1 1 52 52 TRP HE3 H 1 6.44 . . 1 . . . . . . . . 4087 1 567 . 1 1 52 52 TRP HZ2 H 1 6.43 . . 1 . . . . . . . . 4087 1 568 . 1 1 52 52 TRP HZ3 H 1 6.67 . . 1 . . . . . . . . 4087 1 569 . 1 1 52 52 TRP HH2 H 1 7.18 . . 1 . . . . . . . . 4087 1 570 . 1 1 52 52 TRP CA C 13 54.7 . . 1 . . . . . . . . 4087 1 571 . 1 1 52 52 TRP CB C 13 33.4 . . 1 . . . . . . . . 4087 1 572 . 1 1 52 52 TRP CD1 C 13 130.7 . . 1 . . . . . . . . 4087 1 573 . 1 1 52 52 TRP CE3 C 13 123.2 . . 1 . . . . . . . . 4087 1 574 . 1 1 52 52 TRP CZ2 C 13 111.8 . . 1 . . . . . . . . 4087 1 575 . 1 1 52 52 TRP CZ3 C 13 123.3 . . 1 . . . . . . . . 4087 1 576 . 1 1 52 52 TRP CH2 C 13 120.5 . . 1 . . . . . . . . 4087 1 577 . 1 1 52 52 TRP NE1 N 15 119.7 . . 1 . . . . . . . . 4087 1 578 . 1 1 53 53 PHE H H 1 8.78 . . 1 . . . . . . . . 4087 1 579 . 1 1 53 53 PHE HA H 1 4.95 . . 1 . . . . . . . . 4087 1 580 . 1 1 53 53 PHE HB2 H 1 2.79 . . 2 . . . . . . . . 4087 1 581 . 1 1 53 53 PHE HB3 H 1 3.37 . . 2 . . . . . . . . 4087 1 582 . 1 1 53 53 PHE HD1 H 1 7.19 . . 1 . . . . . . . . 4087 1 583 . 1 1 53 53 PHE HD2 H 1 7.19 . . 1 . . . . . . . . 4087 1 584 . 1 1 53 53 PHE HE1 H 1 7.30 . . 1 . . . . . . . . 4087 1 585 . 1 1 53 53 PHE HE2 H 1 7.30 . . 1 . . . . . . . . 4087 1 586 . 1 1 53 53 PHE HZ H 1 7.26 . . 1 . . . . . . . . 4087 1 587 . 1 1 53 53 PHE CA C 13 56.3 . . 1 . . . . . . . . 4087 1 588 . 1 1 53 53 PHE CB C 13 43.6 . . 1 . . . . . . . . 4087 1 589 . 1 1 53 53 PHE CD1 C 13 132.8 . . 1 . . . . . . . . 4087 1 590 . 1 1 53 53 PHE CD2 C 13 132.8 . . 1 . . . . . . . . 4087 1 591 . 1 1 53 53 PHE CE1 C 13 133.0 . . 1 . . . . . . . . 4087 1 592 . 1 1 53 53 PHE CE2 C 13 133.0 . . 1 . . . . . . . . 4087 1 593 . 1 1 53 53 PHE CZ C 13 131.8 . . 1 . . . . . . . . 4087 1 594 . 1 1 53 53 PHE N N 15 112.2 . . 1 . . . . . . . . 4087 1 595 . 1 1 54 54 THR H H 1 9.37 . . 1 . . . . . . . . 4087 1 596 . 1 1 54 54 THR HA H 1 4.57 . . 1 . . . . . . . . 4087 1 597 . 1 1 54 54 THR HB H 1 4.16 . . 1 . . . . . . . . 4087 1 598 . 1 1 54 54 THR HG21 H 1 1.25 . . 1 . . . . . . . . 4087 1 599 . 1 1 54 54 THR HG22 H 1 1.25 . . 1 . . . . . . . . 4087 1 600 . 1 1 54 54 THR HG23 H 1 1.25 . . 1 . . . . . . . . 4087 1 601 . 1 1 54 54 THR CA C 13 64.0 . . 1 . . . . . . . . 4087 1 602 . 1 1 54 54 THR CB C 13 68.6 . . 1 . . . . . . . . 4087 1 603 . 1 1 54 54 THR CG2 C 13 23.5 . . 1 . . . . . . . . 4087 1 604 . 1 1 54 54 THR N N 15 117.8 . . 1 . . . . . . . . 4087 1 605 . 1 1 55 55 VAL H H 1 8.83 . . 1 . . . . . . . . 4087 1 606 . 1 1 55 55 VAL HA H 1 3.94 . . 1 . . . . . . . . 4087 1 607 . 1 1 55 55 VAL HB H 1 2.11 . . 1 . . . . . . . . 4087 1 608 . 1 1 55 55 VAL HG11 H 1 0.97 . . 1 . . . . . . . . 4087 1 609 . 1 1 55 55 VAL HG12 H 1 0.97 . . 1 . . . . . . . . 4087 1 610 . 1 1 55 55 VAL HG13 H 1 0.97 . . 1 . . . . . . . . 4087 1 611 . 1 1 55 55 VAL HG21 H 1 0.97 . . 1 . . . . . . . . 4087 1 612 . 1 1 55 55 VAL HG22 H 1 0.97 . . 1 . . . . . . . . 4087 1 613 . 1 1 55 55 VAL HG23 H 1 0.97 . . 1 . . . . . . . . 4087 1 614 . 1 1 55 55 VAL CA C 13 62.9 . . 1 . . . . . . . . 4087 1 615 . 1 1 55 55 VAL CB C 13 31.1 . . 1 . . . . . . . . 4087 1 616 . 1 1 55 55 VAL CG1 C 13 21.8 . . 1 . . . . . . . . 4087 1 617 . 1 1 55 55 VAL CG2 C 13 21.8 . . 1 . . . . . . . . 4087 1 618 . 1 1 55 55 VAL N N 15 125.5 . . 1 . . . . . . . . 4087 1 619 . 1 1 56 56 ALA H H 1 8.35 . . 1 . . . . . . . . 4087 1 620 . 1 1 56 56 ALA HA H 1 4.57 . . 1 . . . . . . . . 4087 1 621 . 1 1 56 56 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 4087 1 622 . 1 1 56 56 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 4087 1 623 . 1 1 56 56 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 4087 1 624 . 1 1 56 56 ALA CA C 13 51.4 . . 1 . . . . . . . . 4087 1 625 . 1 1 56 56 ALA CB C 13 19.5 . . 1 . . . . . . . . 4087 1 626 . 1 1 56 56 ALA N N 15 128.1 . . 1 . . . . . . . . 4087 1 627 . 1 1 57 57 ASP H H 1 8.62 . . 1 . . . . . . . . 4087 1 628 . 1 1 57 57 ASP HA H 1 4.57 . . 1 . . . . . . . . 4087 1 629 . 1 1 57 57 ASP HB2 H 1 2.58 . . 2 . . . . . . . . 4087 1 630 . 1 1 57 57 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 4087 1 631 . 1 1 57 57 ASP CA C 13 56.2 . . 1 . . . . . . . . 4087 1 632 . 1 1 57 57 ASP CB C 13 41.6 . . 1 . . . . . . . . 4087 1 633 . 1 1 57 57 ASP N N 15 118.8 . . 1 . . . . . . . . 4087 1 634 . 1 1 58 58 ASN H H 1 8.44 . . 1 . . . . . . . . 4087 1 635 . 1 1 58 58 ASN HA H 1 4.76 . . 1 . . . . . . . . 4087 1 636 . 1 1 58 58 ASN HB2 H 1 2.74 . . 2 . . . . . . . . 4087 1 637 . 1 1 58 58 ASN HB3 H 1 2.83 . . 2 . . . . . . . . 4087 1 638 . 1 1 58 58 ASN HD21 H 1 6.85 . . 2 . . . . . . . . 4087 1 639 . 1 1 58 58 ASN HD22 H 1 6.73 . . 2 . . . . . . . . 4087 1 640 . 1 1 58 58 ASN CA C 13 53.4 . . 1 . . . . . . . . 4087 1 641 . 1 1 58 58 ASN CB C 13 39.0 . . 1 . . . . . . . . 4087 1 642 . 1 1 58 58 ASN N N 15 118.2 . . 1 . . . . . . . . 4087 1 643 . 1 1 58 58 ASN ND2 N 15 110.0 . . 1 . . . . . . . . 4087 1 644 . 1 1 59 59 GLY H H 1 8.26 . . 1 . . . . . . . . 4087 1 645 . 1 1 59 59 GLY HA2 H 1 3.73 . . 2 . . . . . . . . 4087 1 646 . 1 1 59 59 GLY HA3 H 1 4.13 . . 2 . . . . . . . . 4087 1 647 . 1 1 59 59 GLY CA C 13 45.5 . . 1 . . . . . . . . 4087 1 648 . 1 1 59 59 GLY N N 15 105.9 . . 1 . . . . . . . . 4087 1 649 . 1 1 60 60 ALA H H 1 7.93 . . 1 . . . . . . . . 4087 1 650 . 1 1 60 60 ALA HA H 1 4.33 . . 1 . . . . . . . . 4087 1 651 . 1 1 60 60 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 4087 1 652 . 1 1 60 60 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 4087 1 653 . 1 1 60 60 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 4087 1 654 . 1 1 60 60 ALA CA C 13 52.6 . . 1 . . . . . . . . 4087 1 655 . 1 1 60 60 ALA CB C 13 19.5 . . 1 . . . . . . . . 4087 1 656 . 1 1 60 60 ALA N N 15 121.1 . . 1 . . . . . . . . 4087 1 657 . 1 1 61 61 GLU H H 1 8.35 . . 1 . . . . . . . . 4087 1 658 . 1 1 61 61 GLU HA H 1 4.20 . . 1 . . . . . . . . 4087 1 659 . 1 1 61 61 GLU HB2 H 1 1.97 . . 2 . . . . . . . . 4087 1 660 . 1 1 61 61 GLU HB3 H 1 2.09 . . 2 . . . . . . . . 4087 1 661 . 1 1 61 61 GLU HG2 H 1 2.18 . . 2 . . . . . . . . 4087 1 662 . 1 1 61 61 GLU HG3 H 1 2.42 . . 2 . . . . . . . . 4087 1 663 . 1 1 61 61 GLU CA C 13 58.1 . . 1 . . . . . . . . 4087 1 664 . 1 1 61 61 GLU CB C 13 30.5 . . 1 . . . . . . . . 4087 1 665 . 1 1 61 61 GLU CG C 13 37.0 . . 1 . . . . . . . . 4087 1 666 . 1 1 61 61 GLU N N 15 116.5 . . 1 . . . . . . . . 4087 1 667 . 1 1 62 62 ARG H H 1 7.95 . . 1 . . . . . . . . 4087 1 668 . 1 1 62 62 ARG HA H 1 3.93 . . 1 . . . . . . . . 4087 1 669 . 1 1 62 62 ARG HB2 H 1 1.98 . . 2 . . . . . . . . 4087 1 670 . 1 1 62 62 ARG HB3 H 1 2.10 . . 2 . . . . . . . . 4087 1 671 . 1 1 62 62 ARG HG2 H 1 1.63 . . 2 . . . . . . . . 4087 1 672 . 1 1 62 62 ARG HG3 H 1 2.03 . . 2 . . . . . . . . 4087 1 673 . 1 1 62 62 ARG HD2 H 1 3.27 . . 2 . . . . . . . . 4087 1 674 . 1 1 62 62 ARG HD3 H 1 3.33 . . 2 . . . . . . . . 4087 1 675 . 1 1 62 62 ARG CA C 13 59.7 . . 1 . . . . . . . . 4087 1 676 . 1 1 62 62 ARG CB C 13 30.8 . . 1 . . . . . . . . 4087 1 677 . 1 1 62 62 ARG CG C 13 27.7 . . 1 . . . . . . . . 4087 1 678 . 1 1 62 62 ARG CD C 13 43.8 . . 1 . . . . . . . . 4087 1 679 . 1 1 62 62 ARG N N 15 115.4 . . 1 . . . . . . . . 4087 1 680 . 1 1 63 63 GLN H H 1 8.29 . . 1 . . . . . . . . 4087 1 681 . 1 1 63 63 GLN HA H 1 4.46 . . 1 . . . . . . . . 4087 1 682 . 1 1 63 63 GLN HB2 H 1 1.90 . . 2 . . . . . . . . 4087 1 683 . 1 1 63 63 GLN HB3 H 1 2.08 . . 2 . . . . . . . . 4087 1 684 . 1 1 63 63 GLN HG2 H 1 2.20 . . 1 . . . . . . . . 4087 1 685 . 1 1 63 63 GLN HG3 H 1 2.20 . . 1 . . . . . . . . 4087 1 686 . 1 1 63 63 GLN HE21 H 1 7.04 . . 2 . . . . . . . . 4087 1 687 . 1 1 63 63 GLN HE22 H 1 7.36 . . 2 . . . . . . . . 4087 1 688 . 1 1 63 63 GLN CA C 13 55.5 . . 1 . . . . . . . . 4087 1 689 . 1 1 63 63 GLN CB C 13 31.3 . . 1 . . . . . . . . 4087 1 690 . 1 1 63 63 GLN CG C 13 34.0 . . 1 . . . . . . . . 4087 1 691 . 1 1 63 63 GLN N N 15 118.1 . . 1 . . . . . . . . 4087 1 692 . 1 1 63 63 GLN NE2 N 15 110.1 . . 1 . . . . . . . . 4087 1 693 . 1 1 64 64 GLY H H 1 8.45 . . 1 . . . . . . . . 4087 1 694 . 1 1 64 64 GLY HA2 H 1 4.03 . . 1 . . . . . . . . 4087 1 695 . 1 1 64 64 GLY HA3 H 1 4.06 . . 1 . . . . . . . . 4087 1 696 . 1 1 64 64 GLY CA C 13 45.5 . . 1 . . . . . . . . 4087 1 697 . 1 1 64 64 GLY N N 15 106.4 . . 1 . . . . . . . . 4087 1 698 . 1 1 65 65 GLN H H 1 8.24 . . 1 . . . . . . . . 4087 1 699 . 1 1 65 65 GLN HA H 1 4.32 . . 1 . . . . . . . . 4087 1 700 . 1 1 65 65 GLN HB2 H 1 1.83 . . 2 . . . . . . . . 4087 1 701 . 1 1 65 65 GLN HB3 H 1 2.09 . . 2 . . . . . . . . 4087 1 702 . 1 1 65 65 GLN HG2 H 1 2.20 . . 2 . . . . . . . . 4087 1 703 . 1 1 65 65 GLN HG3 H 1 2.29 . . 2 . . . . . . . . 4087 1 704 . 1 1 65 65 GLN HE21 H 1 6.68 . . 2 . . . . . . . . 4087 1 705 . 1 1 65 65 GLN HE22 H 1 7.38 . . 2 . . . . . . . . 4087 1 706 . 1 1 65 65 GLN CA C 13 56.3 . . 1 . . . . . . . . 4087 1 707 . 1 1 65 65 GLN CB C 13 30.4 . . 1 . . . . . . . . 4087 1 708 . 1 1 65 65 GLN CG C 13 34.5 . . 1 . . . . . . . . 4087 1 709 . 1 1 65 65 GLN N N 15 116.2 . . 1 . . . . . . . . 4087 1 710 . 1 1 65 65 GLN NE2 N 15 108.6 . . 1 . . . . . . . . 4087 1 711 . 1 1 66 66 ALA H H 1 8.19 . . 1 . . . . . . . . 4087 1 712 . 1 1 66 66 ALA HA H 1 3.44 . . 1 . . . . . . . . 4087 1 713 . 1 1 66 66 ALA HB1 H 1 0.87 . . 1 . . . . . . . . 4087 1 714 . 1 1 66 66 ALA HB2 H 1 0.87 . . 1 . . . . . . . . 4087 1 715 . 1 1 66 66 ALA HB3 H 1 0.87 . . 1 . . . . . . . . 4087 1 716 . 1 1 66 66 ALA CA C 13 51.1 . . 1 . . . . . . . . 4087 1 717 . 1 1 66 66 ALA CB C 13 19.6 . . 1 . . . . . . . . 4087 1 718 . 1 1 66 66 ALA N N 15 124.2 . . 1 . . . . . . . . 4087 1 719 . 1 1 67 67 GLN H H 1 7.96 . . 1 . . . . . . . . 4087 1 720 . 1 1 67 67 GLN HA H 1 4.97 . . 1 . . . . . . . . 4087 1 721 . 1 1 67 67 GLN HB2 H 1 -0.70 . . 2 . . . . . . . . 4087 1 722 . 1 1 67 67 GLN HB3 H 1 0.52 . . 2 . . . . . . . . 4087 1 723 . 1 1 67 67 GLN HG2 H 1 1.58 . . 1 . . . . . . . . 4087 1 724 . 1 1 67 67 GLN HG3 H 1 1.58 . . 1 . . . . . . . . 4087 1 725 . 1 1 67 67 GLN HE21 H 1 6.69 . . 2 . . . . . . . . 4087 1 726 . 1 1 67 67 GLN HE22 H 1 7.37 . . 2 . . . . . . . . 4087 1 727 . 1 1 67 67 GLN CA C 13 54.1 . . 1 . . . . . . . . 4087 1 728 . 1 1 67 67 GLN CB C 13 31.6 . . 1 . . . . . . . . 4087 1 729 . 1 1 67 67 GLN CG C 13 35.2 . . 1 . . . . . . . . 4087 1 730 . 1 1 67 67 GLN N N 15 115.4 . . 1 . . . . . . . . 4087 1 731 . 1 1 67 67 GLN NE2 N 15 105.1 . . 1 . . . . . . . . 4087 1 732 . 1 1 68 68 ILE H H 1 7.67 . . 1 . . . . . . . . 4087 1 733 . 1 1 68 68 ILE HA H 1 3.95 . . 1 . . . . . . . . 4087 1 734 . 1 1 68 68 ILE HB H 1 2.12 . . 1 . . . . . . . . 4087 1 735 . 1 1 68 68 ILE HG12 H 1 1.25 . . 2 . . . . . . . . 4087 1 736 . 1 1 68 68 ILE HG13 H 1 1.58 . . 2 . . . . . . . . 4087 1 737 . 1 1 68 68 ILE HG21 H 1 0.97 . . 1 . . . . . . . . 4087 1 738 . 1 1 68 68 ILE HG22 H 1 0.97 . . 1 . . . . . . . . 4087 1 739 . 1 1 68 68 ILE HG23 H 1 0.97 . . 1 . . . . . . . . 4087 1 740 . 1 1 68 68 ILE HD11 H 1 0.78 . . 1 . . . . . . . . 4087 1 741 . 1 1 68 68 ILE HD12 H 1 0.78 . . 1 . . . . . . . . 4087 1 742 . 1 1 68 68 ILE HD13 H 1 0.78 . . 1 . . . . . . . . 4087 1 743 . 1 1 68 68 ILE CA C 13 64.4 . . 1 . . . . . . . . 4087 1 744 . 1 1 68 68 ILE CG1 C 13 27.2 . . 9 . . . . . . . . 4087 1 745 . 1 1 68 68 ILE CG2 C 13 23.3 . . 1 . . . . . . . . 4087 1 746 . 1 1 68 68 ILE CD1 C 13 13.7 . . 1 . . . . . . . . 4087 1 747 . 1 1 68 68 ILE N N 15 105.9 . . 1 . . . . . . . . 4087 1 748 . 1 1 69 69 LEU H H 1 7.63 . . 1 . . . . . . . . 4087 1 749 . 1 1 69 69 LEU HA H 1 5.40 . . 1 . . . . . . . . 4087 1 750 . 1 1 69 69 LEU HB2 H 1 1.11 . . 2 . . . . . . . . 4087 1 751 . 1 1 69 69 LEU HB3 H 1 1.32 . . 2 . . . . . . . . 4087 1 752 . 1 1 69 69 LEU HG H 1 1.44 . . 1 . . . . . . . . 4087 1 753 . 1 1 69 69 LEU HD11 H 1 0.02 . . 2 . . . . . . . . 4087 1 754 . 1 1 69 69 LEU HD12 H 1 0.02 . . 2 . . . . . . . . 4087 1 755 . 1 1 69 69 LEU HD13 H 1 0.02 . . 2 . . . . . . . . 4087 1 756 . 1 1 69 69 LEU HD21 H 1 0.53 . . 2 . . . . . . . . 4087 1 757 . 1 1 69 69 LEU HD22 H 1 0.53 . . 2 . . . . . . . . 4087 1 758 . 1 1 69 69 LEU HD23 H 1 0.53 . . 2 . . . . . . . . 4087 1 759 . 1 1 69 69 LEU CA C 13 54.0 . . 1 . . . . . . . . 4087 1 760 . 1 1 69 69 LEU CB C 13 45.6 . . 1 . . . . . . . . 4087 1 761 . 1 1 69 69 LEU CG C 13 28.2 . . 1 . . . . . . . . 4087 1 762 . 1 1 69 69 LEU CD1 C 13 25.3 . . 2 . . . . . . . . 4087 1 763 . 1 1 69 69 LEU CD2 C 13 24.8 . . 2 . . . . . . . . 4087 1 764 . 1 1 69 69 LEU N N 15 118.1 . . 1 . . . . . . . . 4087 1 765 . 1 1 70 70 ILE H H 1 8.68 . . 1 . . . . . . . . 4087 1 766 . 1 1 70 70 ILE HA H 1 4.82 . . 1 . . . . . . . . 4087 1 767 . 1 1 70 70 ILE HB H 1 1.23 . . 1 . . . . . . . . 4087 1 768 . 1 1 70 70 ILE HG12 H 1 0.69 . . 2 . . . . . . . . 4087 1 769 . 1 1 70 70 ILE HG13 H 1 1.46 . . 2 . . . . . . . . 4087 1 770 . 1 1 70 70 ILE HG21 H 1 0.21 . . 1 . . . . . . . . 4087 1 771 . 1 1 70 70 ILE HG22 H 1 0.21 . . 1 . . . . . . . . 4087 1 772 . 1 1 70 70 ILE HG23 H 1 0.21 . . 1 . . . . . . . . 4087 1 773 . 1 1 70 70 ILE HD11 H 1 0.56 . . 1 . . . . . . . . 4087 1 774 . 1 1 70 70 ILE HD12 H 1 0.56 . . 1 . . . . . . . . 4087 1 775 . 1 1 70 70 ILE HD13 H 1 0.56 . . 1 . . . . . . . . 4087 1 776 . 1 1 70 70 ILE CA C 13 60.1 . . 1 . . . . . . . . 4087 1 777 . 1 1 70 70 ILE CB C 13 41.8 . . 1 . . . . . . . . 4087 1 778 . 1 1 70 70 ILE CG1 C 13 28.2 . . 1 . . . . . . . . 4087 1 779 . 1 1 70 70 ILE CG2 C 13 18.3 . . 1 . . . . . . . . 4087 1 780 . 1 1 70 70 ILE CD1 C 13 14.4 . . 1 . . . . . . . . 4087 1 781 . 1 1 70 70 ILE N N 15 119.5 . . 1 . . . . . . . . 4087 1 782 . 1 1 71 71 THR H H 1 9.07 . . 1 . . . . . . . . 4087 1 783 . 1 1 71 71 THR HA H 1 4.81 . . 1 . . . . . . . . 4087 1 784 . 1 1 71 71 THR HB H 1 4.52 . . 1 . . . . . . . . 4087 1 785 . 1 1 71 71 THR HG21 H 1 0.93 . . 1 . . . . . . . . 4087 1 786 . 1 1 71 71 THR HG22 H 1 0.93 . . 1 . . . . . . . . 4087 1 787 . 1 1 71 71 THR HG23 H 1 0.93 . . 1 . . . . . . . . 4087 1 788 . 1 1 71 71 THR CA C 13 59.8 . . 1 . . . . . . . . 4087 1 789 . 1 1 71 71 THR CB C 13 71.1 . . 1 . . . . . . . . 4087 1 790 . 1 1 71 71 THR CG2 C 13 23.9 . . 1 . . . . . . . . 4087 1 791 . 1 1 71 71 THR N N 15 113.6 . . 1 . . . . . . . . 4087 1 792 . 1 1 72 72 PHE H H 1 8.27 . . 1 . . . . . . . . 4087 1 793 . 1 1 72 72 PHE HA H 1 4.97 . . 1 . . . . . . . . 4087 1 794 . 1 1 72 72 PHE HB2 H 1 2.63 . . 2 . . . . . . . . 4087 1 795 . 1 1 72 72 PHE HB3 H 1 3.52 . . 2 . . . . . . . . 4087 1 796 . 1 1 72 72 PHE HD1 H 1 7.52 . . 3 . . . . . . . . 4087 1 797 . 1 1 72 72 PHE HD2 H 1 7.66 . . 3 . . . . . . . . 4087 1 798 . 1 1 72 72 PHE HE1 H 1 7.00 . . 1 . . . . . . . . 4087 1 799 . 1 1 72 72 PHE HE2 H 1 7.00 . . 1 . . . . . . . . 4087 1 800 . 1 1 72 72 PHE HZ H 1 5.96 . . 1 . . . . . . . . 4087 1 801 . 1 1 72 72 PHE CA C 13 57.0 . . 1 . . . . . . . . 4087 1 802 . 1 1 72 72 PHE CB C 13 44.0 . . 1 . . . . . . . . 4087 1 803 . 1 1 72 72 PHE CE1 C 13 130.3 . . 1 . . . . . . . . 4087 1 804 . 1 1 72 72 PHE CE2 C 13 130.3 . . 1 . . . . . . . . 4087 1 805 . 1 1 72 72 PHE CZ C 13 128.7 . . 1 . . . . . . . . 4087 1 806 . 1 1 72 72 PHE N N 15 112.3 . . 1 . . . . . . . . 4087 1 807 . 1 1 73 73 GLY H H 1 9.82 . . 1 . . . . . . . . 4087 1 808 . 1 1 73 73 GLY HA2 H 1 3.95 . . 2 . . . . . . . . 4087 1 809 . 1 1 73 73 GLY HA3 H 1 4.16 . . 2 . . . . . . . . 4087 1 810 . 1 1 73 73 GLY CA C 13 46.3 . . 1 . . . . . . . . 4087 1 811 . 1 1 73 73 GLY N N 15 107.4 . . 1 . . . . . . . . 4087 1 812 . 1 1 74 74 SER H H 1 7.42 . . 1 . . . . . . . . 4087 1 813 . 1 1 74 74 SER HA H 1 5.10 . . 1 . . . . . . . . 4087 1 814 . 1 1 74 74 SER HB2 H 1 4.18 . . 2 . . . . . . . . 4087 1 815 . 1 1 74 74 SER HB3 H 1 4.30 . . 2 . . . . . . . . 4087 1 816 . 1 1 74 74 SER CA C 13 56.6 . . 1 . . . . . . . . 4087 1 817 . 1 1 74 74 SER CB C 13 56.5 . . 1 . . . . . . . . 4087 1 818 . 1 1 74 74 SER N N 15 106.3 . . 1 . . . . . . . . 4087 1 819 . 1 1 75 75 PRO HA H 1 4.44 . . 1 . . . . . . . . 4087 1 820 . 1 1 75 75 PRO HB2 H 1 2.12 . . 2 . . . . . . . . 4087 1 821 . 1 1 75 75 PRO HB3 H 1 2.18 . . 2 . . . . . . . . 4087 1 822 . 1 1 75 75 PRO HG2 H 1 2.25 . . 2 . . . . . . . . 4087 1 823 . 1 1 75 75 PRO HG3 H 1 2.43 . . 2 . . . . . . . . 4087 1 824 . 1 1 75 75 PRO HD2 H 1 3.99 . . 2 . . . . . . . . 4087 1 825 . 1 1 75 75 PRO HD3 H 1 4.05 . . 2 . . . . . . . . 4087 1 826 . 1 1 75 75 PRO CA C 13 65.3 . . 1 . . . . . . . . 4087 1 827 . 1 1 75 75 PRO CG C 13 28.4 . . 1 . . . . . . . . 4087 1 828 . 1 1 75 75 PRO CD C 13 51.4 . . 1 . . . . . . . . 4087 1 829 . 1 1 76 76 SER H H 1 7.85 . . 1 . . . . . . . . 4087 1 830 . 1 1 76 76 SER HA H 1 4.28 . . 1 . . . . . . . . 4087 1 831 . 1 1 76 76 SER HB2 H 1 3.92 . . 1 . . . . . . . . 4087 1 832 . 1 1 76 76 SER HB3 H 1 3.92 . . 1 . . . . . . . . 4087 1 833 . 1 1 76 76 SER CA C 13 61.7 . . 1 . . . . . . . . 4087 1 834 . 1 1 76 76 SER CB C 13 62.1 . . 1 . . . . . . . . 4087 1 835 . 1 1 76 76 SER N N 15 117.4 . . 1 . . . . . . . . 4087 1 836 . 1 1 77 77 GLN H H 1 8.02 . . 1 . . . . . . . . 4087 1 837 . 1 1 77 77 GLN HA H 1 4.27 . . 1 . . . . . . . . 4087 1 838 . 1 1 77 77 GLN HB2 H 1 2.20 . . 2 . . . . . . . . 4087 1 839 . 1 1 77 77 GLN HB3 H 1 2.53 . . 2 . . . . . . . . 4087 1 840 . 1 1 77 77 GLN HG2 H 1 2.64 . . 2 . . . . . . . . 4087 1 841 . 1 1 77 77 GLN HG3 H 1 2.83 . . 2 . . . . . . . . 4087 1 842 . 1 1 77 77 GLN HE21 H 1 6.53 . . 2 . . . . . . . . 4087 1 843 . 1 1 77 77 GLN HE22 H 1 6.97 . . 2 . . . . . . . . 4087 1 844 . 1 1 77 77 GLN CA C 13 59.3 . . 1 . . . . . . . . 4087 1 845 . 1 1 77 77 GLN CB C 13 29.8 . . 1 . . . . . . . . 4087 1 846 . 1 1 77 77 GLN CG C 13 34.8 . . 1 . . . . . . . . 4087 1 847 . 1 1 77 77 GLN N N 15 123.6 . . 1 . . . . . . . . 4087 1 848 . 1 1 77 77 GLN NE2 N 15 109.3 . . 1 . . . . . . . . 4087 1 849 . 1 1 78 78 ARG H H 1 7.42 . . 1 . . . . . . . . 4087 1 850 . 1 1 78 78 ARG HA H 1 2.98 . . 1 . . . . . . . . 4087 1 851 . 1 1 78 78 ARG HB2 H 1 2.00 . . 1 . . . . . . . . 4087 1 852 . 1 1 78 78 ARG HB3 H 1 2.00 . . 1 . . . . . . . . 4087 1 853 . 1 1 78 78 ARG HG2 H 1 0.78 . . 1 . . . . . . . . 4087 1 854 . 1 1 78 78 ARG HG3 H 1 0.78 . . 1 . . . . . . . . 4087 1 855 . 1 1 78 78 ARG HD2 H 1 1.99 . . 2 . . . . . . . . 4087 1 856 . 1 1 78 78 ARG HD3 H 1 4.40 . . 2 . . . . . . . . 4087 1 857 . 1 1 78 78 ARG CA C 13 59.8 . . 1 . . . . . . . . 4087 1 858 . 1 1 78 78 ARG CD C 13 44.3 . . 1 . . . . . . . . 4087 1 859 . 1 1 78 78 ARG N N 15 115.9 . . 1 . . . . . . . . 4087 1 860 . 1 1 79 79 GLN H H 1 7.94 . . 1 . . . . . . . . 4087 1 861 . 1 1 79 79 GLN HA H 1 3.87 . . 1 . . . . . . . . 4087 1 862 . 1 1 79 79 GLN HB2 H 1 2.13 . . 2 . . . . . . . . 4087 1 863 . 1 1 79 79 GLN HB3 H 1 2.16 . . 2 . . . . . . . . 4087 1 864 . 1 1 79 79 GLN HG2 H 1 2.35 . . 2 . . . . . . . . 4087 1 865 . 1 1 79 79 GLN HG3 H 1 2.41 . . 2 . . . . . . . . 4087 1 866 . 1 1 79 79 GLN HE21 H 1 6.48 . . 2 . . . . . . . . 4087 1 867 . 1 1 79 79 GLN HE22 H 1 7.43 . . 2 . . . . . . . . 4087 1 868 . 1 1 79 79 GLN CA C 13 59.1 . . 1 . . . . . . . . 4087 1 869 . 1 1 79 79 GLN CB C 13 28.6 . . 1 . . . . . . . . 4087 1 870 . 1 1 79 79 GLN CG C 13 34.1 . . 1 . . . . . . . . 4087 1 871 . 1 1 79 79 GLN N N 15 115.6 . . 1 . . . . . . . . 4087 1 872 . 1 1 79 79 GLN NE2 N 15 107.9 . . 1 . . . . . . . . 4087 1 873 . 1 1 80 80 ASP H H 1 7.85 . . 1 . . . . . . . . 4087 1 874 . 1 1 80 80 ASP HA H 1 4.50 . . 1 . . . . . . . . 4087 1 875 . 1 1 80 80 ASP HB2 H 1 2.83 . . 2 . . . . . . . . 4087 1 876 . 1 1 80 80 ASP HB3 H 1 3.07 . . 2 . . . . . . . . 4087 1 877 . 1 1 80 80 ASP CA C 13 58.3 . . 1 . . . . . . . . 4087 1 878 . 1 1 80 80 ASP CB C 13 42.2 . . 1 . . . . . . . . 4087 1 879 . 1 1 80 80 ASP N N 15 117.9 . . 1 . . . . . . . . 4087 1 880 . 1 1 81 81 PHE H H 1 8.63 . . 1 . . . . . . . . 4087 1 881 . 1 1 81 81 PHE HA H 1 3.93 . . 1 . . . . . . . . 4087 1 882 . 1 1 81 81 PHE HB2 H 1 3.55 . . 2 . . . . . . . . 4087 1 883 . 1 1 81 81 PHE HB3 H 1 3.96 . . 2 . . . . . . . . 4087 1 884 . 1 1 81 81 PHE HD1 H 1 7.19 . . 1 . . . . . . . . 4087 1 885 . 1 1 81 81 PHE HD2 H 1 7.19 . . 1 . . . . . . . . 4087 1 886 . 1 1 81 81 PHE HE1 H 1 7.39 . . 1 . . . . . . . . 4087 1 887 . 1 1 81 81 PHE HE2 H 1 7.39 . . 1 . . . . . . . . 4087 1 888 . 1 1 81 81 PHE HZ H 1 7.35 . . 1 . . . . . . . . 4087 1 889 . 1 1 81 81 PHE CA C 13 62.4 . . 1 . . . . . . . . 4087 1 890 . 1 1 81 81 PHE CB C 13 38.8 . . 1 . . . . . . . . 4087 1 891 . 1 1 81 81 PHE CD1 C 13 132.2 . . 3 . . . . . . . . 4087 1 892 . 1 1 81 81 PHE CD2 C 13 132.3 . . 3 . . . . . . . . 4087 1 893 . 1 1 81 81 PHE CE1 C 13 131.1 . . 1 . . . . . . . . 4087 1 894 . 1 1 81 81 PHE CE2 C 13 131.1 . . 1 . . . . . . . . 4087 1 895 . 1 1 81 81 PHE CZ C 13 130.1 . . 1 . . . . . . . . 4087 1 896 . 1 1 81 81 PHE N N 15 120.0 . . 1 . . . . . . . . 4087 1 897 . 1 1 82 82 LEU H H 1 8.26 . . 1 . . . . . . . . 4087 1 898 . 1 1 82 82 LEU HA H 1 3.95 . . 1 . . . . . . . . 4087 1 899 . 1 1 82 82 LEU HB2 H 1 1.37 . . 2 . . . . . . . . 4087 1 900 . 1 1 82 82 LEU HB3 H 1 1.75 . . 2 . . . . . . . . 4087 1 901 . 1 1 82 82 LEU HG H 1 1.90 . . 1 . . . . . . . . 4087 1 902 . 1 1 82 82 LEU HD11 H 1 0.56 . . 2 . . . . . . . . 4087 1 903 . 1 1 82 82 LEU HD12 H 1 0.56 . . 2 . . . . . . . . 4087 1 904 . 1 1 82 82 LEU HD13 H 1 0.56 . . 2 . . . . . . . . 4087 1 905 . 1 1 82 82 LEU HD21 H 1 0.84 . . 2 . . . . . . . . 4087 1 906 . 1 1 82 82 LEU HD22 H 1 0.84 . . 2 . . . . . . . . 4087 1 907 . 1 1 82 82 LEU HD23 H 1 0.84 . . 2 . . . . . . . . 4087 1 908 . 1 1 82 82 LEU CA C 13 57.2 . . 1 . . . . . . . . 4087 1 909 . 1 1 82 82 LEU CB C 13 41.8 . . 1 . . . . . . . . 4087 1 910 . 1 1 82 82 LEU CG C 13 27.4 . . 1 . . . . . . . . 4087 1 911 . 1 1 82 82 LEU CD1 C 13 25.9 . . 2 . . . . . . . . 4087 1 912 . 1 1 82 82 LEU CD2 C 13 23.0 . . 2 . . . . . . . . 4087 1 913 . 1 1 82 82 LEU N N 15 114.4 . . 1 . . . . . . . . 4087 1 914 . 1 1 83 83 LYS H H 1 7.73 . . 1 . . . . . . . . 4087 1 915 . 1 1 83 83 LYS HA H 1 3.93 . . 1 . . . . . . . . 4087 1 916 . 1 1 83 83 LYS HB2 H 1 1.59 . . 2 . . . . . . . . 4087 1 917 . 1 1 83 83 LYS HB3 H 1 1.75 . . 2 . . . . . . . . 4087 1 918 . 1 1 83 83 LYS HG2 H 1 1.12 . . 2 . . . . . . . . 4087 1 919 . 1 1 83 83 LYS HG3 H 1 1.31 . . 2 . . . . . . . . 4087 1 920 . 1 1 83 83 LYS HD2 H 1 1.56 . . 1 . . . . . . . . 4087 1 921 . 1 1 83 83 LYS HD3 H 1 1.56 . . 1 . . . . . . . . 4087 1 922 . 1 1 83 83 LYS HE2 H 1 2.85 . . 1 . . . . . . . . 4087 1 923 . 1 1 83 83 LYS HE3 H 1 2.85 . . 1 . . . . . . . . 4087 1 924 . 1 1 83 83 LYS CA C 13 57.8 . . 1 . . . . . . . . 4087 1 925 . 1 1 83 83 LYS CB C 13 33.1 . . 1 . . . . . . . . 4087 1 926 . 1 1 83 83 LYS CG C 13 25.2 . . 1 . . . . . . . . 4087 1 927 . 1 1 83 83 LYS CD C 13 30.4 . . 1 . . . . . . . . 4087 1 928 . 1 1 83 83 LYS CE C 13 42.0 . . 1 . . . . . . . . 4087 1 929 . 1 1 83 83 LYS N N 15 113.3 . . 1 . . . . . . . . 4087 1 930 . 1 1 84 84 HIS H H 1 7.42 . . 1 . . . . . . . . 4087 1 931 . 1 1 84 84 HIS HA H 1 4.45 . . 1 . . . . . . . . 4087 1 932 . 1 1 84 84 HIS HB2 H 1 2.56 . . 2 . . . . . . . . 4087 1 933 . 1 1 84 84 HIS HB3 H 1 3.23 . . 2 . . . . . . . . 4087 1 934 . 1 1 84 84 HIS HD2 H 1 7.57 . . 1 . . . . . . . . 4087 1 935 . 1 1 84 84 HIS HE1 H 1 8.54 . . 1 . . . . . . . . 4087 1 936 . 1 1 84 84 HIS CA C 13 58.0 . . 1 . . . . . . . . 4087 1 937 . 1 1 84 84 HIS CB C 13 30.7 . . 1 . . . . . . . . 4087 1 938 . 1 1 84 84 HIS CD2 C 13 121.5 . . 1 . . . . . . . . 4087 1 939 . 1 1 84 84 HIS CE1 C 13 136.9 . . 1 . . . . . . . . 4087 1 940 . 1 1 84 84 HIS N N 15 110.6 . . 1 . . . . . . . . 4087 1 941 . 1 1 85 85 VAL H H 1 7.69 . . 1 . . . . . . . . 4087 1 942 . 1 1 85 85 VAL HA H 1 3.84 . . 1 . . . . . . . . 4087 1 943 . 1 1 85 85 VAL HB H 1 1.13 . . 1 . . . . . . . . 4087 1 944 . 1 1 85 85 VAL HG11 H 1 -0.58 . . 2 . . . . . . . . 4087 1 945 . 1 1 85 85 VAL HG12 H 1 -0.58 . . 2 . . . . . . . . 4087 1 946 . 1 1 85 85 VAL HG13 H 1 -0.58 . . 2 . . . . . . . . 4087 1 947 . 1 1 85 85 VAL HG21 H 1 0.19 . . 2 . . . . . . . . 4087 1 948 . 1 1 85 85 VAL HG22 H 1 0.19 . . 2 . . . . . . . . 4087 1 949 . 1 1 85 85 VAL HG23 H 1 0.19 . . 2 . . . . . . . . 4087 1 950 . 1 1 85 85 VAL CA C 13 59.8 . . 1 . . . . . . . . 4087 1 951 . 1 1 85 85 VAL CB C 13 31.0 . . 1 . . . . . . . . 4087 1 952 . 1 1 85 85 VAL CG1 C 13 18.6 . . 2 . . . . . . . . 4087 1 953 . 1 1 85 85 VAL CG2 C 13 21.9 . . 2 . . . . . . . . 4087 1 954 . 1 1 85 85 VAL N N 15 118.9 . . 1 . . . . . . . . 4087 1 955 . 1 1 86 86 PRO HA H 1 4.28 . . 1 . . . . . . . . 4087 1 956 . 1 1 86 86 PRO HB2 H 1 1.74 . . 2 . . . . . . . . 4087 1 957 . 1 1 86 86 PRO HB3 H 1 2.21 . . 2 . . . . . . . . 4087 1 958 . 1 1 86 86 PRO HG2 H 1 1.93 . . 2 . . . . . . . . 4087 1 959 . 1 1 86 86 PRO HG3 H 1 1.97 . . 2 . . . . . . . . 4087 1 960 . 1 1 86 86 PRO HD2 H 1 3.49 . . 2 . . . . . . . . 4087 1 961 . 1 1 86 86 PRO HD3 H 1 3.68 . . 2 . . . . . . . . 4087 1 962 . 1 1 86 86 PRO CA C 13 63.1 . . 1 . . . . . . . . 4087 1 963 . 1 1 86 86 PRO CB C 13 32.3 . . 1 . . . . . . . . 4087 1 964 . 1 1 86 86 PRO CG C 13 27.5 . . 1 . . . . . . . . 4087 1 965 . 1 1 86 86 PRO CD C 13 51.0 . . 1 . . . . . . . . 4087 1 966 . 1 1 87 87 LEU H H 1 8.44 . . 1 . . . . . . . . 4087 1 967 . 1 1 87 87 LEU HA H 1 4.78 . . 1 . . . . . . . . 4087 1 968 . 1 1 87 87 LEU HB2 H 1 1.47 . . 2 . . . . . . . . 4087 1 969 . 1 1 87 87 LEU HB3 H 1 1.84 . . 2 . . . . . . . . 4087 1 970 . 1 1 87 87 LEU HG H 1 1.47 . . 1 . . . . . . . . 4087 1 971 . 1 1 87 87 LEU HD11 H 1 0.73 . . 2 . . . . . . . . 4087 1 972 . 1 1 87 87 LEU HD12 H 1 0.73 . . 2 . . . . . . . . 4087 1 973 . 1 1 87 87 LEU HD13 H 1 0.73 . . 2 . . . . . . . . 4087 1 974 . 1 1 87 87 LEU HD21 H 1 0.77 . . 2 . . . . . . . . 4087 1 975 . 1 1 87 87 LEU HD22 H 1 0.77 . . 2 . . . . . . . . 4087 1 976 . 1 1 87 87 LEU HD23 H 1 0.77 . . 2 . . . . . . . . 4087 1 977 . 1 1 87 87 LEU CA C 13 52.3 . . 1 . . . . . . . . 4087 1 978 . 1 1 87 87 LEU CB C 13 43.3 . . 1 . . . . . . . . 4087 1 979 . 1 1 87 87 LEU CG C 13 26.8 . . 1 . . . . . . . . 4087 1 980 . 1 1 87 87 LEU CD1 C 13 24.6 . . 2 . . . . . . . . 4087 1 981 . 1 1 87 87 LEU CD2 C 13 26.5 . . 2 . . . . . . . . 4087 1 982 . 1 1 87 87 LEU N N 15 123.3 . . 1 . . . . . . . . 4087 1 983 . 1 1 88 88 PRO HA H 1 4.36 . . 1 . . . . . . . . 4087 1 984 . 1 1 88 88 PRO HB2 H 1 2.34 . . 2 . . . . . . . . 4087 1 985 . 1 1 88 88 PRO HB3 H 1 2.11 . . 2 . . . . . . . . 4087 1 986 . 1 1 88 88 PRO HG2 H 1 1.89 . . 2 . . . . . . . . 4087 1 987 . 1 1 88 88 PRO HG3 H 1 2.03 . . 2 . . . . . . . . 4087 1 988 . 1 1 88 88 PRO HD2 H 1 3.62 . . 2 . . . . . . . . 4087 1 989 . 1 1 88 88 PRO HD3 H 1 3.90 . . 2 . . . . . . . . 4087 1 990 . 1 1 88 88 PRO CA C 13 63.8 . . 1 . . . . . . . . 4087 1 991 . 1 1 88 88 PRO CB C 13 32.3 . . 1 . . . . . . . . 4087 1 992 . 1 1 88 88 PRO CG C 13 27.5 . . 9 . . . . . . . . 4087 1 993 . 1 1 88 88 PRO CD C 13 50.9 . . 1 . . . . . . . . 4087 1 994 . 1 1 89 89 PRO HA H 1 4.43 . . 1 . . . . . . . . 4087 1 995 . 1 1 89 89 PRO HB2 H 1 2.07 . . 2 . . . . . . . . 4087 1 996 . 1 1 89 89 PRO HB3 H 1 2.47 . . 2 . . . . . . . . 4087 1 997 . 1 1 89 89 PRO HG2 H 1 2.01 . . 2 . . . . . . . . 4087 1 998 . 1 1 89 89 PRO HG3 H 1 2.06 . . 2 . . . . . . . . 4087 1 999 . 1 1 89 89 PRO HD2 H 1 3.41 . . 2 . . . . . . . . 4087 1 1000 . 1 1 89 89 PRO HD3 H 1 3.43 . . 2 . . . . . . . . 4087 1 1001 . 1 1 89 89 PRO CA C 13 65.3 . . 1 . . . . . . . . 4087 1 1002 . 1 1 89 89 PRO CB C 13 32.8 . . 1 . . . . . . . . 4087 1 1003 . 1 1 89 89 PRO CG C 13 26.6 . . 1 . . . . . . . . 4087 1 1004 . 1 1 89 89 PRO CD C 13 49.7 . . 1 . . . . . . . . 4087 1 1005 . 1 1 90 90 GLY H H 1 8.63 . . 1 . . . . . . . . 4087 1 1006 . 1 1 90 90 GLY HA2 H 1 3.65 . . 2 . . . . . . . . 4087 1 1007 . 1 1 90 90 GLY HA3 H 1 4.40 . . 2 . . . . . . . . 4087 1 1008 . 1 1 90 90 GLY CA C 13 45.3 . . 1 . . . . . . . . 4087 1 1009 . 1 1 90 90 GLY N N 15 108.7 . . 1 . . . . . . . . 4087 1 1010 . 1 1 91 91 MET H H 1 7.55 . . 1 . . . . . . . . 4087 1 1011 . 1 1 91 91 MET HA H 1 4.87 . . 1 . . . . . . . . 4087 1 1012 . 1 1 91 91 MET HB2 H 1 1.88 . . 2 . . . . . . . . 4087 1 1013 . 1 1 91 91 MET HB3 H 1 2.06 . . 2 . . . . . . . . 4087 1 1014 . 1 1 91 91 MET HG2 H 1 2.22 . . 2 . . . . . . . . 4087 1 1015 . 1 1 91 91 MET HG3 H 1 2.28 . . 2 . . . . . . . . 4087 1 1016 . 1 1 91 91 MET HE1 H 1 1.35 . . 1 . . . . . . . . 4087 1 1017 . 1 1 91 91 MET HE2 H 1 1.35 . . 1 . . . . . . . . 4087 1 1018 . 1 1 91 91 MET HE3 H 1 1.35 . . 1 . . . . . . . . 4087 1 1019 . 1 1 91 91 MET CA C 13 56.0 . . 1 . . . . . . . . 4087 1 1020 . 1 1 91 91 MET CB C 13 34.7 . . 1 . . . . . . . . 4087 1 1021 . 1 1 91 91 MET CG C 13 33.2 . . 1 . . . . . . . . 4087 1 1022 . 1 1 91 91 MET CE C 13 16.8 . . 1 . . . . . . . . 4087 1 1023 . 1 1 91 91 MET N N 15 116.5 . . 1 . . . . . . . . 4087 1 1024 . 1 1 92 92 ASN H H 1 8.40 . . 1 . . . . . . . . 4087 1 1025 . 1 1 92 92 ASN HA H 1 5.15 . . 1 . . . . . . . . 4087 1 1026 . 1 1 92 92 ASN HB2 H 1 2.53 . . 2 . . . . . . . . 4087 1 1027 . 1 1 92 92 ASN HB3 H 1 2.66 . . 2 . . . . . . . . 4087 1 1028 . 1 1 92 92 ASN HD21 H 1 6.74 . . 2 . . . . . . . . 4087 1 1029 . 1 1 92 92 ASN HD22 H 1 7.42 . . 2 . . . . . . . . 4087 1 1030 . 1 1 92 92 ASN CA C 13 52.7 . . 1 . . . . . . . . 4087 1 1031 . 1 1 92 92 ASN CB C 13 43.4 . . 1 . . . . . . . . 4087 1 1032 . 1 1 92 92 ASN N N 15 114.5 . . 1 . . . . . . . . 4087 1 1033 . 1 1 92 92 ASN ND2 N 15 111.2 . . 1 . . . . . . . . 4087 1 1034 . 1 1 93 93 ILE H H 1 8.62 . . 1 . . . . . . . . 4087 1 1035 . 1 1 93 93 ILE HA H 1 5.42 . . 1 . . . . . . . . 4087 1 1036 . 1 1 93 93 ILE HB H 1 1.73 . . 4 . . . . . . . . 4087 1 1037 . 1 1 93 93 ILE HG12 H 1 1.73 . . 4 . . . . . . . . 4087 1 1038 . 1 1 93 93 ILE HG13 H 1 1.73 . . 4 . . . . . . . . 4087 1 1039 . 1 1 93 93 ILE HG21 H 1 1.05 . . 1 . . . . . . . . 4087 1 1040 . 1 1 93 93 ILE HG22 H 1 1.05 . . 1 . . . . . . . . 4087 1 1041 . 1 1 93 93 ILE HG23 H 1 1.05 . . 1 . . . . . . . . 4087 1 1042 . 1 1 93 93 ILE HD11 H 1 1.03 . . 1 . . . . . . . . 4087 1 1043 . 1 1 93 93 ILE HD12 H 1 1.03 . . 1 . . . . . . . . 4087 1 1044 . 1 1 93 93 ILE HD13 H 1 1.03 . . 1 . . . . . . . . 4087 1 1045 . 1 1 93 93 ILE CA C 13 59.7 . . 1 . . . . . . . . 4087 1 1046 . 1 1 93 93 ILE CB C 13 42.0 . . 1 . . . . . . . . 4087 1 1047 . 1 1 93 93 ILE CG2 C 13 15.7 . . 1 . . . . . . . . 4087 1 1048 . 1 1 93 93 ILE CD1 C 13 14.4 . . 1 . . . . . . . . 4087 1 1049 . 1 1 93 93 ILE N N 15 116.6 . . 1 . . . . . . . . 4087 1 1050 . 1 1 94 94 SER H H 1 8.38 . . 1 . . . . . . . . 4087 1 1051 . 1 1 94 94 SER HA H 1 4.70 . . 1 . . . . . . . . 4087 1 1052 . 1 1 94 94 SER HB2 H 1 3.43 . . 2 . . . . . . . . 4087 1 1053 . 1 1 94 94 SER HB3 H 1 3.58 . . 2 . . . . . . . . 4087 1 1054 . 1 1 94 94 SER CA C 13 57.5 . . 1 . . . . . . . . 4087 1 1055 . 1 1 94 94 SER CB C 13 67.1 . . 1 . . . . . . . . 4087 1 1056 . 1 1 94 94 SER N N 15 119.0 . . 1 . . . . . . . . 4087 1 1057 . 1 1 95 95 GLY H H 1 8.17 . . 1 . . . . . . . . 4087 1 1058 . 1 1 95 95 GLY HA2 H 1 3.90 . . 2 . . . . . . . . 4087 1 1059 . 1 1 95 95 GLY HA3 H 1 4.40 . . 2 . . . . . . . . 4087 1 1060 . 1 1 95 95 GLY CA C 13 51.7 . . 1 . . . . . . . . 4087 1 1061 . 1 1 95 95 GLY N N 15 110.0 . . 1 . . . . . . . . 4087 1 1062 . 1 1 96 96 PHE H H 1 7.87 . . 1 . . . . . . . . 4087 1 1063 . 1 1 96 96 PHE HA H 1 5.12 . . 1 . . . . . . . . 4087 1 1064 . 1 1 96 96 PHE HB2 H 1 0.68 . . 2 . . . . . . . . 4087 1 1065 . 1 1 96 96 PHE HB3 H 1 2.32 . . 2 . . . . . . . . 4087 1 1066 . 1 1 96 96 PHE HD1 H 1 6.44 . . 1 . . . . . . . . 4087 1 1067 . 1 1 96 96 PHE HD2 H 1 6.44 . . 1 . . . . . . . . 4087 1 1068 . 1 1 96 96 PHE HE1 H 1 6.95 . . 1 . . . . . . . . 4087 1 1069 . 1 1 96 96 PHE HE2 H 1 6.95 . . 1 . . . . . . . . 4087 1 1070 . 1 1 96 96 PHE HZ H 1 6.92 . . 1 . . . . . . . . 4087 1 1071 . 1 1 96 96 PHE CA C 13 56.9 . . 1 . . . . . . . . 4087 1 1072 . 1 1 96 96 PHE CB C 13 45.4 . . 1 . . . . . . . . 4087 1 1073 . 1 1 96 96 PHE CD1 C 13 131.7 . . 1 . . . . . . . . 4087 1 1074 . 1 1 96 96 PHE CD2 C 13 131.7 . . 1 . . . . . . . . 4087 1 1075 . 1 1 96 96 PHE CE1 C 13 131.4 . . 1 . . . . . . . . 4087 1 1076 . 1 1 96 96 PHE CE2 C 13 131.4 . . 1 . . . . . . . . 4087 1 1077 . 1 1 96 96 PHE CZ C 13 131.4 . . 1 . . . . . . . . 4087 1 1078 . 1 1 96 96 PHE N N 15 117.3 . . 1 . . . . . . . . 4087 1 1079 . 1 1 97 97 THR H H 1 8.37 . . 1 . . . . . . . . 4087 1 1080 . 1 1 97 97 THR HA H 1 5.00 . . 1 . . . . . . . . 4087 1 1081 . 1 1 97 97 THR HB H 1 4.08 . . 1 . . . . . . . . 4087 1 1082 . 1 1 97 97 THR HG21 H 1 1.19 . . 1 . . . . . . . . 4087 1 1083 . 1 1 97 97 THR HG22 H 1 1.19 . . 1 . . . . . . . . 4087 1 1084 . 1 1 97 97 THR HG23 H 1 1.19 . . 1 . . . . . . . . 4087 1 1085 . 1 1 97 97 THR CA C 13 63.4 . . 1 . . . . . . . . 4087 1 1086 . 1 1 97 97 THR CB C 13 70.9 . . 1 . . . . . . . . 4087 1 1087 . 1 1 97 97 THR CG2 C 13 20.8 . . 1 . . . . . . . . 4087 1 1088 . 1 1 97 97 THR N N 15 114.3 . . 1 . . . . . . . . 4087 1 1089 . 1 1 98 98 ALA H H 1 9.42 . . 1 . . . . . . . . 4087 1 1090 . 1 1 98 98 ALA HA H 1 5.71 . . 1 . . . . . . . . 4087 1 1091 . 1 1 98 98 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 4087 1 1092 . 1 1 98 98 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 4087 1 1093 . 1 1 98 98 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 4087 1 1094 . 1 1 98 98 ALA CA C 13 50.6 . . 1 . . . . . . . . 4087 1 1095 . 1 1 98 98 ALA CB C 13 22.9 . . 1 . . . . . . . . 4087 1 1096 . 1 1 98 98 ALA N N 15 125.8 . . 1 . . . . . . . . 4087 1 1097 . 1 1 99 99 SER H H 1 8.97 . . 1 . . . . . . . . 4087 1 1098 . 1 1 99 99 SER HA H 1 4.83 . . 1 . . . . . . . . 4087 1 1099 . 1 1 99 99 SER HB2 H 1 3.85 . . 2 . . . . . . . . 4087 1 1100 . 1 1 99 99 SER HB3 H 1 3.89 . . 2 . . . . . . . . 4087 1 1101 . 1 1 99 99 SER CA C 13 57.1 . . 1 . . . . . . . . 4087 1 1102 . 1 1 99 99 SER CB C 13 65.1 . . 1 . . . . . . . . 4087 1 1103 . 1 1 99 99 SER N N 15 114.7 . . 1 . . . . . . . . 4087 1 1104 . 1 1 100 100 LEU H H 1 8.47 . . 1 . . . . . . . . 4087 1 1105 . 1 1 100 100 LEU HA H 1 3.95 . . 1 . . . . . . . . 4087 1 1106 . 1 1 100 100 LEU HB2 H 1 1.34 . . 2 . . . . . . . . 4087 1 1107 . 1 1 100 100 LEU HB3 H 1 1.73 . . 2 . . . . . . . . 4087 1 1108 . 1 1 100 100 LEU HG H 1 1.08 . . 1 . . . . . . . . 4087 1 1109 . 1 1 100 100 LEU HD11 H 1 0.47 . . 2 . . . . . . . . 4087 1 1110 . 1 1 100 100 LEU HD12 H 1 0.47 . . 2 . . . . . . . . 4087 1 1111 . 1 1 100 100 LEU HD13 H 1 0.47 . . 2 . . . . . . . . 4087 1 1112 . 1 1 100 100 LEU HD21 H 1 0.67 . . 2 . . . . . . . . 4087 1 1113 . 1 1 100 100 LEU HD22 H 1 0.67 . . 2 . . . . . . . . 4087 1 1114 . 1 1 100 100 LEU HD23 H 1 0.67 . . 2 . . . . . . . . 4087 1 1115 . 1 1 100 100 LEU CA C 13 55.6 . . 1 . . . . . . . . 4087 1 1116 . 1 1 100 100 LEU CB C 13 41.1 . . 1 . . . . . . . . 4087 1 1117 . 1 1 100 100 LEU CG C 13 27.2 . . 1 . . . . . . . . 4087 1 1118 . 1 1 100 100 LEU CD1 C 13 25.3 . . 2 . . . . . . . . 4087 1 1119 . 1 1 100 100 LEU CD2 C 13 26.3 . . 2 . . . . . . . . 4087 1 1120 . 1 1 100 100 LEU N N 15 123.9 . . 1 . . . . . . . . 4087 1 1121 . 1 1 101 101 ASP H H 1 8.93 . . 1 . . . . . . . . 4087 1 1122 . 1 1 101 101 ASP HA H 1 4.68 . . 1 . . . . . . . . 4087 1 1123 . 1 1 101 101 ASP HB2 H 1 1.70 . . 2 . . . . . . . . 4087 1 1124 . 1 1 101 101 ASP HB3 H 1 2.70 . . 2 . . . . . . . . 4087 1 1125 . 1 1 101 101 ASP CA C 13 56.1 . . 1 . . . . . . . . 4087 1 1126 . 1 1 101 101 ASP CB C 13 42.8 . . 1 . . . . . . . . 4087 1 1127 . 1 1 101 101 ASP N N 15 127.0 . . 1 . . . . . . . . 4087 1 1128 . 1 1 102 102 PHE H H 1 7.13 . . 1 . . . . . . . . 4087 1 1129 . 1 1 102 102 PHE HA H 1 4.23 . . 1 . . . . . . . . 4087 1 1130 . 1 1 102 102 PHE HB2 H 1 3.03 . . 2 . . . . . . . . 4087 1 1131 . 1 1 102 102 PHE HB3 H 1 3.28 . . 2 . . . . . . . . 4087 1 1132 . 1 1 102 102 PHE HD1 H 1 7.04 . . 1 . . . . . . . . 4087 1 1133 . 1 1 102 102 PHE HD2 H 1 7.04 . . 1 . . . . . . . . 4087 1 1134 . 1 1 102 102 PHE HE1 H 1 6.71 . . 1 . . . . . . . . 4087 1 1135 . 1 1 102 102 PHE HE2 H 1 6.71 . . 1 . . . . . . . . 4087 1 1136 . 1 1 102 102 PHE HZ H 1 6.88 . . 1 . . . . . . . . 4087 1 1137 . 1 1 102 102 PHE CA C 13 59.0 . . 1 . . . . . . . . 4087 1 1138 . 1 1 102 102 PHE CB C 13 39.6 . . 1 . . . . . . . . 4087 1 1139 . 1 1 102 102 PHE CD1 C 13 133.4 . . 1 . . . . . . . . 4087 1 1140 . 1 1 102 102 PHE CD2 C 13 133.4 . . 1 . . . . . . . . 4087 1 1141 . 1 1 102 102 PHE CZ C 13 130.0 . . 1 . . . . . . . . 4087 1 1142 . 1 1 102 102 PHE N N 15 116.9 . . 1 . . . . . . . . 4087 1 stop_ save_