data_6188 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6188 _Entry.Title ; Solution structure of Acyl Coenzyme A Binding Protein from yeast ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-04-22 _Entry.Accession_date 2004-04-22 _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 K. Teilum . . . 6188 2 T. Thormann . . . 6188 3 N. Caterer . . . 6188 4 H. Poulsen . I. . 6188 5 P. Jensen . H. . 6188 6 J. Knudsen . . . 6188 7 B. Kragelund . B. . 6188 8 F. Poulsen . M. . 6188 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6188 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 249 6188 '1H chemical shifts' 496 6188 '15N chemical shifts' 88 6188 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-07-30 2004-04-22 update BMRB 'Delete the shift of 10 LYS C 32.87' 6188 1 . . 2005-02-21 2004-04-22 original author 'original release' 6188 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6188 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15690348 _Citation.Full_citation . _Citation.Title 'Different secondary structure elements as scaffolds for protein folding transition states of two homologous four-helix bundles' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 59 _Citation.Journal_issue 1 _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 80 _Citation.Page_last 90 _Citation.Year 2005 _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 K. Teilum . . . 6188 1 2 T. Thormann . . . 6188 1 3 N. Caterer . R. . 6188 1 4 H. Poulsen . I. . 6188 1 5 P. Jensen . H. . 6188 1 6 J. Knudsen . . . 6188 1 7 B. Kragelund . B. . 6188 1 8 F. Poulsen . M. . 6188 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Four helix bundle' 6188 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Acyl-CoA-binding_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Acyl-CoA-binding_protein _Assembly.Entry_ID 6188 _Assembly.ID 1 _Assembly.Name 'Acyl-CoA-binding protein' _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 'not present' _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 monomer 6188 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 'Acyl-CoA-binding protein' 1 $Acyl-CoA-binding_protein . . . native . . . . . 6188 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Acyl-CoA-binding protein' system 6188 1 'Acyl-CoA-binding protein' abbreviation 6188 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Acyl-CoA-binding_protein _Entity.Sf_category entity _Entity.Sf_framecode Acyl-CoA-binding_protein _Entity.Entry_ID 6188 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Acyl-CoA-binding protein' _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 ; VSQLFEEKAKAVNELPTKPS TDELLELYALYKQATVGDND KEKPGIFNMKDRYKWEAWEN LKGKSQEDAEKEYIALVDQL IAKYSS ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ST7 . "Solution Structure Of Acyl Coenzyme A Binding Protein From Yeast" . . . . . 100.00 86 100.00 100.00 2.02e-53 . . . . 6188 1 2 no DBJ GAA23421 . "K7_Acb1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 87 100.00 100.00 1.78e-53 . . . . 6188 1 3 no EMBL CAA69944 . "ACB1 [Saccharomyces cerevisiae]" . . . . . 100.00 87 100.00 100.00 1.78e-53 . . . . 6188 1 4 no EMBL CAA69947 . "ACB1 type 1 [Saccharomyces pastorianus]" . . . . . 100.00 87 100.00 100.00 1.78e-53 . . . . 6188 1 5 no EMBL CAA97025 . "ACB1 [Saccharomyces cerevisiae]" . . . . . 100.00 87 100.00 100.00 1.78e-53 . . . . 6188 1 6 no EMBL CAY79799 . "Acb1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 87 100.00 100.00 1.78e-53 . . . . 6188 1 7 no GB AAA34384 . "acyl-CoA-binding protein [Saccharomyces cerevisiae]" . . . . . 100.00 87 100.00 100.00 1.78e-53 . . . . 6188 1 8 no GB AAB31936 . "acyl-coA-binding protein type 1, ACBP type 1 [Saccharomyces bayanus, BK 2208 lager strain, Peptide, 86 aa]" . . . . . 100.00 86 100.00 100.00 2.02e-53 . . . . 6188 1 9 no GB AAZ22453 . "Acb1p [Saccharomyces cerevisiae]" . . . . . 100.00 87 100.00 100.00 1.78e-53 . . . . 6188 1 10 no GB AHY79403 . "Acb1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 87 100.00 100.00 1.78e-53 . . . . 6188 1 11 no GB EDN61634 . "acyl-CoA-binding protein (ACBP)/diazepam binding inhibitor (DBI)/endozepine (EP) [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 87 100.00 100.00 1.78e-53 . . . . 6188 1 12 no REF NP_011551 . "long-chain fatty acid transporter ACB1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 87 100.00 100.00 1.78e-53 . . . . 6188 1 13 no SP P31787 . "RecName: Full=Acyl-CoA-binding protein; Short=ACBP [Saccharomyces cerevisiae S288c]" . . . . . 100.00 87 100.00 100.00 1.78e-53 . . . . 6188 1 14 no TPG DAA08135 . "TPA: long-chain fatty acid transporter ACB1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 87 100.00 100.00 1.78e-53 . . . . 6188 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Acyl-CoA-binding protein' common 6188 1 'Acyl-CoA-binding protein' abbreviation 6188 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 VAL . 6188 1 2 2 SER . 6188 1 3 3 GLN . 6188 1 4 4 LEU . 6188 1 5 5 PHE . 6188 1 6 6 GLU . 6188 1 7 7 GLU . 6188 1 8 8 LYS . 6188 1 9 9 ALA . 6188 1 10 10 LYS . 6188 1 11 11 ALA . 6188 1 12 12 VAL . 6188 1 13 13 ASN . 6188 1 14 14 GLU . 6188 1 15 15 LEU . 6188 1 16 16 PRO . 6188 1 17 17 THR . 6188 1 18 18 LYS . 6188 1 19 19 PRO . 6188 1 20 20 SER . 6188 1 21 21 THR . 6188 1 22 22 ASP . 6188 1 23 23 GLU . 6188 1 24 24 LEU . 6188 1 25 25 LEU . 6188 1 26 26 GLU . 6188 1 27 27 LEU . 6188 1 28 28 TYR . 6188 1 29 29 ALA . 6188 1 30 30 LEU . 6188 1 31 31 TYR . 6188 1 32 32 LYS . 6188 1 33 33 GLN . 6188 1 34 34 ALA . 6188 1 35 35 THR . 6188 1 36 36 VAL . 6188 1 37 37 GLY . 6188 1 38 38 ASP . 6188 1 39 39 ASN . 6188 1 40 40 ASP . 6188 1 41 41 LYS . 6188 1 42 42 GLU . 6188 1 43 43 LYS . 6188 1 44 44 PRO . 6188 1 45 45 GLY . 6188 1 46 46 ILE . 6188 1 47 47 PHE . 6188 1 48 48 ASN . 6188 1 49 49 MET . 6188 1 50 50 LYS . 6188 1 51 51 ASP . 6188 1 52 52 ARG . 6188 1 53 53 TYR . 6188 1 54 54 LYS . 6188 1 55 55 TRP . 6188 1 56 56 GLU . 6188 1 57 57 ALA . 6188 1 58 58 TRP . 6188 1 59 59 GLU . 6188 1 60 60 ASN . 6188 1 61 61 LEU . 6188 1 62 62 LYS . 6188 1 63 63 GLY . 6188 1 64 64 LYS . 6188 1 65 65 SER . 6188 1 66 66 GLN . 6188 1 67 67 GLU . 6188 1 68 68 ASP . 6188 1 69 69 ALA . 6188 1 70 70 GLU . 6188 1 71 71 LYS . 6188 1 72 72 GLU . 6188 1 73 73 TYR . 6188 1 74 74 ILE . 6188 1 75 75 ALA . 6188 1 76 76 LEU . 6188 1 77 77 VAL . 6188 1 78 78 ASP . 6188 1 79 79 GLN . 6188 1 80 80 LEU . 6188 1 81 81 ILE . 6188 1 82 82 ALA . 6188 1 83 83 LYS . 6188 1 84 84 TYR . 6188 1 85 85 SER . 6188 1 86 86 SER . 6188 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 . VAL 1 1 6188 1 . SER 2 2 6188 1 . GLN 3 3 6188 1 . LEU 4 4 6188 1 . PHE 5 5 6188 1 . GLU 6 6 6188 1 . GLU 7 7 6188 1 . LYS 8 8 6188 1 . ALA 9 9 6188 1 . LYS 10 10 6188 1 . ALA 11 11 6188 1 . VAL 12 12 6188 1 . ASN 13 13 6188 1 . GLU 14 14 6188 1 . LEU 15 15 6188 1 . PRO 16 16 6188 1 . THR 17 17 6188 1 . LYS 18 18 6188 1 . PRO 19 19 6188 1 . SER 20 20 6188 1 . THR 21 21 6188 1 . ASP 22 22 6188 1 . GLU 23 23 6188 1 . LEU 24 24 6188 1 . LEU 25 25 6188 1 . GLU 26 26 6188 1 . LEU 27 27 6188 1 . TYR 28 28 6188 1 . ALA 29 29 6188 1 . LEU 30 30 6188 1 . TYR 31 31 6188 1 . LYS 32 32 6188 1 . GLN 33 33 6188 1 . ALA 34 34 6188 1 . THR 35 35 6188 1 . VAL 36 36 6188 1 . GLY 37 37 6188 1 . ASP 38 38 6188 1 . ASN 39 39 6188 1 . ASP 40 40 6188 1 . LYS 41 41 6188 1 . GLU 42 42 6188 1 . LYS 43 43 6188 1 . PRO 44 44 6188 1 . GLY 45 45 6188 1 . ILE 46 46 6188 1 . PHE 47 47 6188 1 . ASN 48 48 6188 1 . MET 49 49 6188 1 . LYS 50 50 6188 1 . ASP 51 51 6188 1 . ARG 52 52 6188 1 . TYR 53 53 6188 1 . LYS 54 54 6188 1 . TRP 55 55 6188 1 . GLU 56 56 6188 1 . ALA 57 57 6188 1 . TRP 58 58 6188 1 . GLU 59 59 6188 1 . ASN 60 60 6188 1 . LEU 61 61 6188 1 . LYS 62 62 6188 1 . GLY 63 63 6188 1 . LYS 64 64 6188 1 . SER 65 65 6188 1 . GLN 66 66 6188 1 . GLU 67 67 6188 1 . ASP 68 68 6188 1 . ALA 69 69 6188 1 . GLU 70 70 6188 1 . LYS 71 71 6188 1 . GLU 72 72 6188 1 . TYR 73 73 6188 1 . ILE 74 74 6188 1 . ALA 75 75 6188 1 . LEU 76 76 6188 1 . VAL 77 77 6188 1 . ASP 78 78 6188 1 . GLN 79 79 6188 1 . LEU 80 80 6188 1 . ILE 81 81 6188 1 . ALA 82 82 6188 1 . LYS 83 83 6188 1 . TYR 84 84 6188 1 . SER 85 85 6188 1 . SER 86 86 6188 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 6188 _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 $Acyl-CoA-binding_protein . 4932 . . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6188 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 6188 _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 $Acyl-CoA-binding_protein . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)/PLYS . . . . . . . . . . . . . . . . . . . . . . 6188 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6188 _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 'Acyl-CoA-binding protein' '[U-13C; U-15N]' . . 1 $Acyl-CoA-binding_protein . . 2.5 . . mM . . . . 6188 1 2 H2O . . . . . . . 90 . . % . . . . 6188 1 3 D2O . . . . . . . 10 . . % . . . . 6188 1 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 6188 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.75 . pH 6188 1 temperature 298 . K 6188 1 pressure 1 . atm 6188 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6188 _Software.ID 1 _Software.Name X-PLOR _Software.Version 3.8 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6188 1 refinement 6188 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6188 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6188 _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 Varian UNITY . 750 . . . 6188 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 6188 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6188 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6188 1 3 HNHA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6188 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6188 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6188 1 C 13 . . . . . . ppm . . . . . . . . . . . . . 6188 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 6188 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6188 _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 _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 . 6188 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 VAL CA C 13 60.50 . . 1 . . . . 1 . . . 6188 1 2 . 1 1 1 1 VAL CB C 13 33.44 . . 1 . . . . 1 . . . 6188 1 3 . 1 1 1 1 VAL H H 1 7.82 . . 1 . . . . 1 . . . 6188 1 4 . 1 1 1 1 VAL HA H 1 3.98 . . 1 . . . . 1 . . . 6188 1 5 . 1 1 1 1 VAL N N 15 119.41 . . 1 . . . . 1 . . . 6188 1 6 . 1 1 1 1 VAL HB H 1 1.67 . . 1 . . . . 1 . . . 6188 1 7 . 1 1 1 1 VAL HG11 H 1 0.73 . . 2 . . . . 1 . . . 6188 1 8 . 1 1 1 1 VAL HG12 H 1 0.73 . . 2 . . . . 1 . . . 6188 1 9 . 1 1 1 1 VAL HG13 H 1 0.73 . . 2 . . . . 1 . . . 6188 1 10 . 1 1 1 1 VAL HG21 H 1 0.14 . . 2 . . . . 1 . . . 6188 1 11 . 1 1 1 1 VAL HG22 H 1 0.14 . . 2 . . . . 1 . . . 6188 1 12 . 1 1 1 1 VAL HG23 H 1 0.14 . . 2 . . . . 1 . . . 6188 1 13 . 1 1 2 2 SER H H 1 9.40 . . 1 . . . . 2 . . . 6188 1 14 . 1 1 2 2 SER N N 15 120.06 . . 1 . . . . 2 . . . 6188 1 15 . 1 1 2 2 SER CA C 13 58.38 . . 1 . . . . 2 . . . 6188 1 16 . 1 1 2 2 SER CB C 13 66.00 . . 1 . . . . 2 . . . 6188 1 17 . 1 1 2 2 SER HA H 1 4.53 . . 1 . . . . 2 . . . 6188 1 18 . 1 1 2 2 SER HB2 H 1 3.76 . . 2 . . . . 2 . . . 6188 1 19 . 1 1 3 3 GLN H H 1 8.82 . . 1 . . . . 3 . . . 6188 1 20 . 1 1 3 3 GLN N N 15 121.44 . . 1 . . . . 3 . . . 6188 1 21 . 1 1 3 3 GLN CA C 13 59.39 . . 1 . . . . 3 . . . 6188 1 22 . 1 1 3 3 GLN CB C 13 28.54 . . 1 . . . . 3 . . . 6188 1 23 . 1 1 3 3 GLN HA H 1 4.25 . . 1 . . . . 3 . . . 6188 1 24 . 1 1 3 3 GLN HB2 H 1 2.19 . . 2 . . . . 3 . . . 6188 1 25 . 1 1 3 3 GLN HG2 H 1 2.55 . . 2 . . . . 3 . . . 6188 1 26 . 1 1 3 3 GLN HE21 H 1 7.80 . . 2 . . . . 3 . . . 6188 1 27 . 1 1 3 3 GLN HE22 H 1 6.91 . . 2 . . . . 3 . . . 6188 1 28 . 1 1 3 3 GLN NE2 N 15 113.57 . . 1 . . . . 3 . . . 6188 1 29 . 1 1 4 4 LEU H H 1 8.16 . . 1 . . . . 4 . . . 6188 1 30 . 1 1 4 4 LEU N N 15 121.26 . . 1 . . . . 4 . . . 6188 1 31 . 1 1 4 4 LEU CA C 13 57.86 . . 1 . . . . 4 . . . 6188 1 32 . 1 1 4 4 LEU CB C 13 42.00 . . 1 . . . . 4 . . . 6188 1 33 . 1 1 4 4 LEU HA H 1 4.28 . . 1 . . . . 4 . . . 6188 1 34 . 1 1 4 4 LEU HB2 H 1 1.66 . . 2 . . . . 4 . . . 6188 1 35 . 1 1 4 4 LEU HB3 H 1 1.83 . . 2 . . . . 4 . . . 6188 1 36 . 1 1 4 4 LEU HG H 1 1.07 . . 1 . . . . 4 . . . 6188 1 37 . 1 1 4 4 LEU CG C 13 26.15 . . 1 . . . . 4 . . . 6188 1 38 . 1 1 5 5 PHE H H 1 7.86 . . 1 . . . . 5 . . . 6188 1 39 . 1 1 5 5 PHE N N 15 120.13 . . 1 . . . . 5 . . . 6188 1 40 . 1 1 5 5 PHE CA C 13 62.60 . . 1 . . . . 5 . . . 6188 1 41 . 1 1 5 5 PHE CB C 13 39.30 . . 1 . . . . 5 . . . 6188 1 42 . 1 1 5 5 PHE HA H 1 3.97 . . 1 . . . . 5 . . . 6188 1 43 . 1 1 5 5 PHE HZ H 1 6.29 . . 1 . . . . 5 . . . 6188 1 44 . 1 1 5 5 PHE HE1 H 1 6.63 . . 3 . . . . 5 . . . 6188 1 45 . 1 1 5 5 PHE HD1 H 1 7.08 . . 3 . . . . 5 . . . 6188 1 46 . 1 1 5 5 PHE CD1 C 13 131.13 . . 3 . . . . 5 . . . 6188 1 47 . 1 1 5 5 PHE CE1 C 13 131.19 . . 3 . . . . 5 . . . 6188 1 48 . 1 1 5 5 PHE CZ C 13 129.91 . . 1 . . . . 5 . . . 6188 1 49 . 1 1 5 5 PHE HB3 H 1 2.34 . . 2 . . . . 5 . . . 6188 1 50 . 1 1 5 5 PHE HB2 H 1 2.04 . . 2 . . . . 5 . . . 6188 1 51 . 1 1 6 6 GLU H H 1 7.69 . . 1 . . . . 6 . . . 6188 1 52 . 1 1 6 6 GLU N N 15 118.07 . . 1 . . . . 6 . . . 6188 1 53 . 1 1 6 6 GLU CA C 13 59.75 . . 1 . . . . 6 . . . 6188 1 54 . 1 1 6 6 GLU CB C 13 29.62 . . 1 . . . . 6 . . . 6188 1 55 . 1 1 6 6 GLU HA H 1 4.11 . . 1 . . . . 6 . . . 6188 1 56 . 1 1 6 6 GLU HG2 H 1 2.32 . . 2 . . . . 6 . . . 6188 1 57 . 1 1 6 6 GLU HB2 H 1 2.24 . . 2 . . . . 6 . . . 6188 1 58 . 1 1 6 6 GLU CG C 13 37.06 . . 1 . . . . 6 . . . 6188 1 59 . 1 1 7 7 GLU H H 1 8.53 . . 1 . . . . 7 . . . 6188 1 60 . 1 1 7 7 GLU N N 15 121.12 . . 1 . . . . 7 . . . 6188 1 61 . 1 1 7 7 GLU CA C 13 59.58 . . 1 . . . . 7 . . . 6188 1 62 . 1 1 7 7 GLU CB C 13 29.80 . . 1 . . . . 7 . . . 6188 1 63 . 1 1 7 7 GLU HA H 1 4.11 . . 1 . . . . 7 . . . 6188 1 64 . 1 1 7 7 GLU HG2 H 1 2.36 . . 2 . . . . 7 . . . 6188 1 65 . 1 1 7 7 GLU HB2 H 1 2.21 . . 2 . . . . 7 . . . 6188 1 66 . 1 1 7 7 GLU CG C 13 37.06 . . 1 . . . . 7 . . . 6188 1 67 . 1 1 7 7 GLU HB3 H 1 2.56 . . 2 . . . . 7 . . . 6188 1 68 . 1 1 8 8 LYS H H 1 8.54 . . 1 . . . . 8 . . . 6188 1 69 . 1 1 8 8 LYS N N 15 122.76 . . 1 . . . . 8 . . . 6188 1 70 . 1 1 8 8 LYS CA C 13 57.48 . . 1 . . . . 8 . . . 6188 1 71 . 1 1 8 8 LYS CB C 13 29.77 . . 1 . . . . 8 . . . 6188 1 72 . 1 1 8 8 LYS HA H 1 4.20 . . 1 . . . . 8 . . . 6188 1 73 . 1 1 8 8 LYS HB2 H 1 1.75 . . 2 . . . . 8 . . . 6188 1 74 . 1 1 8 8 LYS HG2 H 1 1.63 . . 2 . . . . 8 . . . 6188 1 75 . 1 1 8 8 LYS HD2 H 1 1.78 . . 2 . . . . 8 . . . 6188 1 76 . 1 1 9 9 ALA H H 1 8.53 . . 1 . . . . 9 . . . 6188 1 77 . 1 1 9 9 ALA N N 15 122.75 . . 1 . . . . 9 . . . 6188 1 78 . 1 1 9 9 ALA CA C 13 54.64 . . 1 . . . . 9 . . . 6188 1 79 . 1 1 9 9 ALA CB C 13 17.69 . . 1 . . . . 9 . . . 6188 1 80 . 1 1 9 9 ALA HB1 H 1 1.37 . . 1 . . . . 9 . . . 6188 1 81 . 1 1 9 9 ALA HB2 H 1 1.37 . . 1 . . . . 9 . . . 6188 1 82 . 1 1 9 9 ALA HB3 H 1 1.37 . . 1 . . . . 9 . . . 6188 1 83 . 1 1 9 9 ALA HA H 1 4.80 . . 1 . . . . 9 . . . 6188 1 84 . 1 1 10 10 LYS H H 1 7.56 . . 1 . . . . 10 . . . 6188 1 85 . 1 1 10 10 LYS N N 15 118.35 . . 1 . . . . 10 . . . 6188 1 86 . 1 1 10 10 LYS CA C 13 59.37 . . 1 . . . . 10 . . . 6188 1 87 . 1 1 10 10 LYS CB C 13 32.82 . . 1 . . . . 10 . . . 6188 1 88 . 1 1 10 10 LYS HA H 1 4.14 . . 1 . . . . 10 . . . 6188 1 89 . 1 1 10 10 LYS HB2 H 1 1.97 . . 2 . . . . 10 . . . 6188 1 90 . 1 1 10 10 LYS HG2 H 1 1.63 . . 2 . . . . 10 . . . 6188 1 91 . 1 1 10 10 LYS CG C 13 25.56 . . 1 . . . . 10 . . . 6188 1 92 . 1 1 11 11 ALA H H 1 8.02 . . 1 . . . . 11 . . . 6188 1 93 . 1 1 11 11 ALA N N 15 122.35 . . 1 . . . . 11 . . . 6188 1 94 . 1 1 11 11 ALA CA C 13 54.80 . . 1 . . . . 11 . . . 6188 1 95 . 1 1 11 11 ALA CB C 13 18.28 . . 1 . . . . 11 . . . 6188 1 96 . 1 1 11 11 ALA HA H 1 4.12 . . 1 . . . . 11 . . . 6188 1 97 . 1 1 11 11 ALA HB1 H 1 1.54 . . 1 . . . . 11 . . . 6188 1 98 . 1 1 11 11 ALA HB2 H 1 1.54 . . 1 . . . . 11 . . . 6188 1 99 . 1 1 11 11 ALA HB3 H 1 1.54 . . 1 . . . . 11 . . . 6188 1 100 . 1 1 12 12 VAL H H 1 8.16 . . 1 . . . . 12 . . . 6188 1 101 . 1 1 12 12 VAL N N 15 118.59 . . 1 . . . . 12 . . . 6188 1 102 . 1 1 12 12 VAL CA C 13 65.31 . . 1 . . . . 12 . . . 6188 1 103 . 1 1 12 12 VAL CB C 13 31.75 . . 1 . . . . 12 . . . 6188 1 104 . 1 1 12 12 VAL HA H 1 3.75 . . 1 . . . . 12 . . . 6188 1 105 . 1 1 12 12 VAL HB H 1 2.21 . . 1 . . . . 12 . . . 6188 1 106 . 1 1 12 12 VAL HG11 H 1 1.06 . . 1 . . . . 12 . . . 6188 1 107 . 1 1 12 12 VAL HG12 H 1 1.06 . . 1 . . . . 12 . . . 6188 1 108 . 1 1 12 12 VAL HG13 H 1 1.06 . . 1 . . . . 12 . . . 6188 1 109 . 1 1 12 12 VAL HG21 H 1 1.04 . . 1 . . . . 12 . . . 6188 1 110 . 1 1 12 12 VAL HG22 H 1 1.04 . . 1 . . . . 12 . . . 6188 1 111 . 1 1 12 12 VAL HG23 H 1 1.04 . . 1 . . . . 12 . . . 6188 1 112 . 1 1 12 12 VAL CG1 C 13 20.07 . . 2 . . . . 12 . . . 6188 1 113 . 1 1 12 12 VAL CG2 C 13 23.17 . . 2 . . . . 12 . . . 6188 1 114 . 1 1 13 13 ASN H H 1 7.22 . . 1 . . . . 13 . . . 6188 1 115 . 1 1 13 13 ASN N N 15 118.21 . . 1 . . . . 13 . . . 6188 1 116 . 1 1 13 13 ASN CA C 13 54.92 . . 1 . . . . 13 . . . 6188 1 117 . 1 1 13 13 ASN CB C 13 39.36 . . 1 . . . . 13 . . . 6188 1 118 . 1 1 13 13 ASN HA H 1 4.65 . . 1 . . . . 13 . . . 6188 1 119 . 1 1 13 13 ASN HB2 H 1 2.95 . . 2 . . . . 13 . . . 6188 1 120 . 1 1 13 13 ASN HB3 H 1 2.90 . . 2 . . . . 13 . . . 6188 1 121 . 1 1 13 13 ASN HD22 H 1 6.88 . . 2 . . . . 13 . . . 6188 1 122 . 1 1 13 13 ASN HD21 H 1 7.68 . . 2 . . . . 13 . . . 6188 1 123 . 1 1 13 13 ASN ND2 N 15 114.84 . . 1 . . . . 13 . . . 6188 1 124 . 1 1 14 14 GLU H H 1 7.50 . . 1 . . . . 14 . . . 6188 1 125 . 1 1 14 14 GLU N N 15 117.71 . . 1 . . . . 14 . . . 6188 1 126 . 1 1 14 14 GLU CA C 13 55.31 . . 1 . . . . 14 . . . 6188 1 127 . 1 1 14 14 GLU CB C 13 29.89 . . 1 . . . . 14 . . . 6188 1 128 . 1 1 14 14 GLU HA H 1 4.47 . . 1 . . . . 14 . . . 6188 1 129 . 1 1 14 14 GLU HB3 H 1 1.96 . . 2 . . . . 14 . . . 6188 1 130 . 1 1 14 14 GLU HB2 H 1 2.30 . . 2 . . . . 14 . . . 6188 1 131 . 1 1 14 14 GLU CG C 13 36.06 . . 1 . . . . 14 . . . 6188 1 132 . 1 1 15 15 LEU H H 1 7.01 . . 1 . . . . 15 . . . 6188 1 133 . 1 1 15 15 LEU N N 15 122.38 . . 1 . . . . 15 . . . 6188 1 134 . 1 1 15 15 LEU CA C 13 53.96 . . 1 . . . . 15 . . . 6188 1 135 . 1 1 15 15 LEU CB C 13 42.58 . . 1 . . . . 15 . . . 6188 1 136 . 1 1 15 15 LEU HA H 1 4.48 . . 1 . . . . 15 . . . 6188 1 137 . 1 1 15 15 LEU HG H 1 2.13 . . 1 . . . . 15 . . . 6188 1 138 . 1 1 15 15 LEU HB2 H 1 1.85 . . 2 . . . . 15 . . . 6188 1 139 . 1 1 15 15 LEU HD11 H 1 1.07 . . 2 . . . . 15 . . . 6188 1 140 . 1 1 15 15 LEU HD12 H 1 1.07 . . 2 . . . . 15 . . . 6188 1 141 . 1 1 15 15 LEU HD13 H 1 1.07 . . 2 . . . . 15 . . . 6188 1 142 . 1 1 15 15 LEU CG C 13 26.77 . . 1 . . . . 15 . . . 6188 1 143 . 1 1 15 15 LEU CD1 C 13 24.29 . . 2 . . . . 15 . . . 6188 1 144 . 1 1 16 16 PRO CA C 13 64.54 . . 1 . . . . 16 . . . 6188 1 145 . 1 1 16 16 PRO CB C 13 31.80 . . 1 . . . . 16 . . . 6188 1 146 . 1 1 16 16 PRO HB3 H 1 2.40 . . 2 . . . . 16 . . . 6188 1 147 . 1 1 16 16 PRO HG2 H 1 2.22 . . 2 . . . . 16 . . . 6188 1 148 . 1 1 16 16 PRO CG C 13 27.58 . . 1 . . . . 16 . . . 6188 1 149 . 1 1 16 16 PRO HD3 H 1 3.92 . . 2 . . . . 16 . . . 6188 1 150 . 1 1 16 16 PRO CD C 13 50.85 . . 1 . . . . 16 . . . 6188 1 151 . 1 1 16 16 PRO HB2 H 1 2.16 . . 2 . . . . 16 . . . 6188 1 152 . 1 1 16 16 PRO HD2 H 1 3.80 . . 2 . . . . 16 . . . 6188 1 153 . 1 1 16 16 PRO HA H 1 4.46 . . 1 . . . . 16 . . . 6188 1 154 . 1 1 17 17 THR H H 1 6.76 . . 1 . . . . 17 . . . 6188 1 155 . 1 1 17 17 THR N N 15 114.48 . . 1 . . . . 17 . . . 6188 1 156 . 1 1 17 17 THR CA C 13 60.72 . . 1 . . . . 17 . . . 6188 1 157 . 1 1 17 17 THR CB C 13 71.19 . . 1 . . . . 17 . . . 6188 1 158 . 1 1 17 17 THR HA H 1 4.28 . . 1 . . . . 17 . . . 6188 1 159 . 1 1 17 17 THR HB H 1 3.82 . . 1 . . . . 17 . . . 6188 1 160 . 1 1 17 17 THR HG21 H 1 1.11 . . 1 . . . . 17 . . . 6188 1 161 . 1 1 17 17 THR HG22 H 1 1.11 . . 1 . . . . 17 . . . 6188 1 162 . 1 1 17 17 THR HG23 H 1 1.11 . . 1 . . . . 17 . . . 6188 1 163 . 1 1 17 17 THR HG1 H 1 7.04 . . 1 . . . . 17 . . . 6188 1 164 . 1 1 17 17 THR CG2 C 13 21.47 . . 1 . . . . 17 . . . 6188 1 165 . 1 1 18 18 LYS H H 1 7.91 . . 1 . . . . 18 . . . 6188 1 166 . 1 1 18 18 LYS N N 15 124.31 . . 1 . . . . 18 . . . 6188 1 167 . 1 1 18 18 LYS CA C 13 54.21 . . 1 . . . . 18 . . . 6188 1 168 . 1 1 18 18 LYS CB C 13 32.64 . . 1 . . . . 18 . . . 6188 1 169 . 1 1 18 18 LYS HA H 1 4.37 . . 1 . . . . 18 . . . 6188 1 170 . 1 1 18 18 LYS HB2 H 1 1.71 . . 2 . . . . 18 . . . 6188 1 171 . 1 1 18 18 LYS HG2 H 1 1.53 . . 2 . . . . 18 . . . 6188 1 172 . 1 1 18 18 LYS HZ1 H 1 7.52 . . 1 . . . . 18 . . . 6188 1 173 . 1 1 18 18 LYS HZ2 H 1 7.52 . . 1 . . . . 18 . . . 6188 1 174 . 1 1 18 18 LYS HZ3 H 1 7.52 . . 1 . . . . 18 . . . 6188 1 175 . 1 1 18 18 LYS CG C 13 24.39 . . 1 . . . . 18 . . . 6188 1 176 . 1 1 19 19 PRO CA C 13 61.95 . . 1 . . . . 19 . . . 6188 1 177 . 1 1 19 19 PRO CB C 13 32.24 . . 1 . . . . 19 . . . 6188 1 178 . 1 1 19 19 PRO HA H 1 4.14 . . 1 . . . . 19 . . . 6188 1 179 . 1 1 19 19 PRO HB2 H 1 2.78 . . 2 . . . . 19 . . . 6188 1 180 . 1 1 19 19 PRO HG3 H 1 1.75 . . 2 . . . . 19 . . . 6188 1 181 . 1 1 19 19 PRO CG C 13 27.94 . . 1 . . . . 19 . . . 6188 1 182 . 1 1 19 19 PRO HD2 H 1 3.35 . . 2 . . . . 19 . . . 6188 1 183 . 1 1 19 19 PRO CD C 13 51.21 . . 1 . . . . 19 . . . 6188 1 184 . 1 1 19 19 PRO HG2 H 1 1.60 . . 2 . . . . 19 . . . 6188 1 185 . 1 1 20 20 SER H H 1 8.48 . . 1 . . . . 20 . . . 6188 1 186 . 1 1 20 20 SER N N 15 115.54 . . 1 . . . . 20 . . . 6188 1 187 . 1 1 20 20 SER CA C 13 58.01 . . 1 . . . . 20 . . . 6188 1 188 . 1 1 20 20 SER CB C 13 64.99 . . 1 . . . . 20 . . . 6188 1 189 . 1 1 20 20 SER HA H 1 4.44 . . 1 . . . . 20 . . . 6188 1 190 . 1 1 20 20 SER HB2 H 1 4.19 . . 2 . . . . 20 . . . 6188 1 191 . 1 1 21 21 THR H H 1 8.76 . . 1 . . . . 21 . . . 6188 1 192 . 1 1 21 21 THR N N 15 117.19 . . 1 . . . . 21 . . . 6188 1 193 . 1 1 21 21 THR CA C 13 67.41 . . 1 . . . . 21 . . . 6188 1 194 . 1 1 21 21 THR CB C 13 68.85 . . 1 . . . . 21 . . . 6188 1 195 . 1 1 21 21 THR HB H 1 1.28 . . 1 . . . . 21 . . . 6188 1 196 . 1 1 21 21 THR HA H 1 4.15 . . 1 . . . . 21 . . . 6188 1 197 . 1 1 22 22 ASP H H 1 8.28 . . 1 . . . . 22 . . . 6188 1 198 . 1 1 22 22 ASP N N 15 118.41 . . 1 . . . . 22 . . . 6188 1 199 . 1 1 22 22 ASP CA C 13 57.88 . . 1 . . . . 22 . . . 6188 1 200 . 1 1 22 22 ASP CB C 13 40.61 . . 1 . . . . 22 . . . 6188 1 201 . 1 1 22 22 ASP HA H 1 4.39 . . 1 . . . . 22 . . . 6188 1 202 . 1 1 22 22 ASP HB2 H 1 2.56 . . 2 . . . . 22 . . . 6188 1 203 . 1 1 23 23 GLU H H 1 7.53 . . 1 . . . . 23 . . . 6188 1 204 . 1 1 23 23 GLU N N 15 122.19 . . 1 . . . . 23 . . . 6188 1 205 . 1 1 23 23 GLU CA C 13 59.29 . . 1 . . . . 23 . . . 6188 1 206 . 1 1 23 23 GLU CB C 13 30.23 . . 1 . . . . 23 . . . 6188 1 207 . 1 1 23 23 GLU HG2 H 1 2.62 . . 2 . . . . 23 . . . 6188 1 208 . 1 1 23 23 GLU HA H 1 4.16 . . 1 . . . . 23 . . . 6188 1 209 . 1 1 23 23 GLU HB2 H 1 1.90 . . 2 . . . . 23 . . . 6188 1 210 . 1 1 24 24 LEU H H 1 8.76 . . 1 . . . . 24 . . . 6188 1 211 . 1 1 24 24 LEU N N 15 119.32 . . 1 . . . . 24 . . . 6188 1 212 . 1 1 24 24 LEU CA C 13 58.20 . . 1 . . . . 24 . . . 6188 1 213 . 1 1 24 24 LEU CB C 13 41.62 . . 1 . . . . 24 . . . 6188 1 214 . 1 1 24 24 LEU HG H 1 1.72 . . 1 . . . . 24 . . . 6188 1 215 . 1 1 24 24 LEU HA H 1 4.13 . . 1 . . . . 24 . . . 6188 1 216 . 1 1 24 24 LEU HD11 H 1 0.85 . . 2 . . . . 24 . . . 6188 1 217 . 1 1 24 24 LEU HD12 H 1 0.85 . . 2 . . . . 24 . . . 6188 1 218 . 1 1 24 24 LEU HD13 H 1 0.85 . . 2 . . . . 24 . . . 6188 1 219 . 1 1 24 24 LEU HB2 H 1 2.63 . . 2 . . . . 24 . . . 6188 1 220 . 1 1 25 25 LEU H H 1 8.45 . . 1 . . . . 25 . . . 6188 1 221 . 1 1 25 25 LEU N N 15 122.25 . . 1 . . . . 25 . . . 6188 1 222 . 1 1 25 25 LEU CA C 13 58.30 . . 1 . . . . 25 . . . 6188 1 223 . 1 1 25 25 LEU CB C 13 42.58 . . 1 . . . . 25 . . . 6188 1 224 . 1 1 25 25 LEU HA H 1 4.20 . . 1 . . . . 25 . . . 6188 1 225 . 1 1 25 25 LEU HB2 H 1 2.05 . . 2 . . . . 25 . . . 6188 1 226 . 1 1 25 25 LEU HG H 1 1.95 . . 1 . . . . 25 . . . 6188 1 227 . 1 1 25 25 LEU HD11 H 1 1.47 . . 1 . . . . 25 . . . 6188 1 228 . 1 1 25 25 LEU HD12 H 1 1.47 . . 1 . . . . 25 . . . 6188 1 229 . 1 1 25 25 LEU HD13 H 1 1.47 . . 1 . . . . 25 . . . 6188 1 230 . 1 1 25 25 LEU CG C 13 27.07 . . 1 . . . . 25 . . . 6188 1 231 . 1 1 25 25 LEU HD21 H 1 0.91 . . 1 . . . . 25 . . . 6188 1 232 . 1 1 25 25 LEU HD22 H 1 0.91 . . 1 . . . . 25 . . . 6188 1 233 . 1 1 25 25 LEU HD23 H 1 0.91 . . 1 . . . . 25 . . . 6188 1 234 . 1 1 25 25 LEU CD1 C 13 23.83 . . 2 . . . . 25 . . . 6188 1 235 . 1 1 26 26 GLU H H 1 7.54 . . 1 . . . . 26 . . . 6188 1 236 . 1 1 26 26 GLU N N 15 120.63 . . 1 . . . . 26 . . . 6188 1 237 . 1 1 26 26 GLU CA C 13 60.01 . . 1 . . . . 26 . . . 6188 1 238 . 1 1 26 26 GLU CB C 13 29.90 . . 1 . . . . 26 . . . 6188 1 239 . 1 1 26 26 GLU HA H 1 4.18 . . 1 . . . . 26 . . . 6188 1 240 . 1 1 26 26 GLU HB3 H 1 2.08 . . 2 . . . . 26 . . . 6188 1 241 . 1 1 26 26 GLU HB2 H 1 2.25 . . 2 . . . . 26 . . . 6188 1 242 . 1 1 27 27 LEU H H 1 8.37 . . 1 . . . . 27 . . . 6188 1 243 . 1 1 27 27 LEU N N 15 119.91 . . 1 . . . . 27 . . . 6188 1 244 . 1 1 27 27 LEU CA C 13 58.43 . . 1 . . . . 27 . . . 6188 1 245 . 1 1 27 27 LEU CB C 13 43.21 . . 1 . . . . 27 . . . 6188 1 246 . 1 1 27 27 LEU HA H 1 4.12 . . 1 . . . . 27 . . . 6188 1 247 . 1 1 27 27 LEU HB2 H 1 2.04 . . 2 . . . . 27 . . . 6188 1 248 . 1 1 27 27 LEU HG H 1 1.81 . . 1 . . . . 27 . . . 6188 1 249 . 1 1 27 27 LEU HD11 H 1 0.81 . . 2 . . . . 27 . . . 6188 1 250 . 1 1 27 27 LEU HD12 H 1 0.81 . . 2 . . . . 27 . . . 6188 1 251 . 1 1 27 27 LEU HD13 H 1 0.81 . . 2 . . . . 27 . . . 6188 1 252 . 1 1 27 27 LEU CD1 C 13 26.21 . . 2 . . . . 27 . . . 6188 1 253 . 1 1 27 27 LEU HD21 H 1 0.68 . . 2 . . . . 27 . . . 6188 1 254 . 1 1 27 27 LEU HD22 H 1 0.68 . . 2 . . . . 27 . . . 6188 1 255 . 1 1 27 27 LEU HD23 H 1 0.68 . . 2 . . . . 27 . . . 6188 1 256 . 1 1 27 27 LEU CG C 13 26.75 . . 1 . . . . 27 . . . 6188 1 257 . 1 1 28 28 TYR H H 1 8.37 . . 1 . . . . 28 . . . 6188 1 258 . 1 1 28 28 TYR N N 15 119.89 . . 1 . . . . 28 . . . 6188 1 259 . 1 1 28 28 TYR CA C 13 61.87 . . 1 . . . . 28 . . . 6188 1 260 . 1 1 28 28 TYR CB C 13 38.24 . . 1 . . . . 28 . . . 6188 1 261 . 1 1 28 28 TYR HA H 1 4.14 . . 1 . . . . 28 . . . 6188 1 262 . 1 1 28 28 TYR HB2 H 1 3.29 . . 2 . . . . 28 . . . 6188 1 263 . 1 1 28 28 TYR HB3 H 1 3.35 . . 2 . . . . 28 . . . 6188 1 264 . 1 1 28 28 TYR HD1 H 1 7.13 . . 3 . . . . 28 . . . 6188 1 265 . 1 1 28 28 TYR HE1 H 1 6.90 . . 3 . . . . 28 . . . 6188 1 266 . 1 1 28 28 TYR CD1 C 13 132.57 . . 3 . . . . 28 . . . 6188 1 267 . 1 1 28 28 TYR CE1 C 13 117.49 . . 3 . . . . 28 . . . 6188 1 268 . 1 1 29 29 ALA H H 1 8.33 . . 1 . . . . 29 . . . 6188 1 269 . 1 1 29 29 ALA N N 15 121.25 . . 1 . . . . 29 . . . 6188 1 270 . 1 1 29 29 ALA CA C 13 55.47 . . 1 . . . . 29 . . . 6188 1 271 . 1 1 29 29 ALA CB C 13 18.89 . . 1 . . . . 29 . . . 6188 1 272 . 1 1 29 29 ALA HA H 1 3.55 . . 1 . . . . 29 . . . 6188 1 273 . 1 1 29 29 ALA HB1 H 1 1.66 . . 1 . . . . 29 . . . 6188 1 274 . 1 1 29 29 ALA HB2 H 1 1.66 . . 1 . . . . 29 . . . 6188 1 275 . 1 1 29 29 ALA HB3 H 1 1.66 . . 1 . . . . 29 . . . 6188 1 276 . 1 1 30 30 LEU H H 1 8.12 . . 1 . . . . 30 . . . 6188 1 277 . 1 1 30 30 LEU N N 15 117.41 . . 1 . . . . 30 . . . 6188 1 278 . 1 1 30 30 LEU CA C 13 59.22 . . 1 . . . . 30 . . . 6188 1 279 . 1 1 30 30 LEU CB C 13 44.68 . . 1 . . . . 30 . . . 6188 1 280 . 1 1 30 30 LEU HA H 1 3.97 . . 1 . . . . 30 . . . 6188 1 281 . 1 1 30 30 LEU HB2 H 1 2.35 . . 2 . . . . 30 . . . 6188 1 282 . 1 1 30 30 LEU HG H 1 2.06 . . 1 . . . . 30 . . . 6188 1 283 . 1 1 30 30 LEU HD11 H 1 1.03 . . 1 . . . . 30 . . . 6188 1 284 . 1 1 30 30 LEU HD12 H 1 1.03 . . 1 . . . . 30 . . . 6188 1 285 . 1 1 30 30 LEU HD13 H 1 1.03 . . 1 . . . . 30 . . . 6188 1 286 . 1 1 30 30 LEU HD21 H 1 1.16 . . 1 . . . . 30 . . . 6188 1 287 . 1 1 30 30 LEU HD22 H 1 1.16 . . 1 . . . . 30 . . . 6188 1 288 . 1 1 30 30 LEU HD23 H 1 1.16 . . 1 . . . . 30 . . . 6188 1 289 . 1 1 30 30 LEU CD1 C 13 26.17 . . 2 . . . . 30 . . . 6188 1 290 . 1 1 30 30 LEU CG C 13 27.59 . . 1 . . . . 30 . . . 6188 1 291 . 1 1 31 31 TYR H H 1 8.85 . . 1 . . . . 31 . . . 6188 1 292 . 1 1 31 31 TYR N N 15 121.22 . . 1 . . . . 31 . . . 6188 1 293 . 1 1 31 31 TYR CA C 13 61.84 . . 1 . . . . 31 . . . 6188 1 294 . 1 1 31 31 TYR CB C 13 38.28 . . 1 . . . . 31 . . . 6188 1 295 . 1 1 31 31 TYR HA H 1 3.57 . . 1 . . . . 31 . . . 6188 1 296 . 1 1 31 31 TYR HB3 H 1 3.25 . . 2 . . . . 31 . . . 6188 1 297 . 1 1 31 31 TYR HD1 H 1 6.51 . . 3 . . . . 31 . . . 6188 1 298 . 1 1 31 31 TYR HE1 H 1 6.68 . . 3 . . . . 31 . . . 6188 1 299 . 1 1 31 31 TYR HB2 H 1 3.09 . . 2 . . . . 31 . . . 6188 1 300 . 1 1 31 31 TYR CD1 C 13 132.70 . . 3 . . . . 31 . . . 6188 1 301 . 1 1 31 31 TYR CE1 C 13 118.05 . . 3 . . . . 31 . . . 6188 1 302 . 1 1 32 32 LYS H H 1 8.19 . . 1 . . . . 32 . . . 6188 1 303 . 1 1 32 32 LYS N N 15 121.35 . . 1 . . . . 32 . . . 6188 1 304 . 1 1 32 32 LYS CA C 13 56.25 . . 1 . . . . 32 . . . 6188 1 305 . 1 1 32 32 LYS CB C 13 26.89 . . 1 . . . . 32 . . . 6188 1 306 . 1 1 32 32 LYS HA H 1 3.29 . . 1 . . . . 32 . . . 6188 1 307 . 1 1 32 32 LYS HB3 H 1 0.30 . . 2 . . . . 32 . . . 6188 1 308 . 1 1 32 32 LYS HB2 H 1 -0.49 . . 2 . . . . 32 . . . 6188 1 309 . 1 1 32 32 LYS HG3 H 1 -0.06 . . 2 . . . . 32 . . . 6188 1 310 . 1 1 32 32 LYS HG2 H 1 0.57 . . 2 . . . . 32 . . . 6188 1 311 . 1 1 32 32 LYS CG C 13 22.35 . . 1 . . . . 32 . . . 6188 1 312 . 1 1 32 32 LYS HD3 H 1 0.90 . . 2 . . . . 32 . . . 6188 1 313 . 1 1 32 32 LYS HD2 H 1 1.17 . . 2 . . . . 32 . . . 6188 1 314 . 1 1 32 32 LYS HE2 H 1 2.44 . . 2 . . . . 32 . . . 6188 1 315 . 1 1 32 32 LYS CD C 13 26.27 . . 1 . . . . 32 . . . 6188 1 316 . 1 1 32 32 LYS CE C 13 41.88 . . 1 . . . . 32 . . . 6188 1 317 . 1 1 33 33 GLN H H 1 8.47 . . 1 . . . . 33 . . . 6188 1 318 . 1 1 33 33 GLN N N 15 122.83 . . 1 . . . . 33 . . . 6188 1 319 . 1 1 33 33 GLN CA C 13 57.82 . . 1 . . . . 33 . . . 6188 1 320 . 1 1 33 33 GLN CB C 13 27.42 . . 1 . . . . 33 . . . 6188 1 321 . 1 1 33 33 GLN HA H 1 4.24 . . 1 . . . . 33 . . . 6188 1 322 . 1 1 33 33 GLN HG2 H 1 2.17 . . 2 . . . . 33 . . . 6188 1 323 . 1 1 33 33 GLN HB3 H 1 1.74 . . 2 . . . . 33 . . . 6188 1 324 . 1 1 33 33 GLN CG C 13 32.33 . . 1 . . . . 33 . . . 6188 1 325 . 1 1 33 33 GLN HB2 H 1 1.60 . . 2 . . . . 33 . . . 6188 1 326 . 1 1 34 34 ALA H H 1 8.18 . . 1 . . . . 34 . . . 6188 1 327 . 1 1 34 34 ALA N N 15 116.28 . . 1 . . . . 34 . . . 6188 1 328 . 1 1 34 34 ALA CA C 13 54.62 . . 1 . . . . 34 . . . 6188 1 329 . 1 1 34 34 ALA CB C 13 20.03 . . 1 . . . . 34 . . . 6188 1 330 . 1 1 34 34 ALA HA H 1 4.26 . . 1 . . . . 34 . . . 6188 1 331 . 1 1 34 34 ALA HB1 H 1 1.00 . . 1 . . . . 34 . . . 6188 1 332 . 1 1 34 34 ALA HB2 H 1 1.00 . . 1 . . . . 34 . . . 6188 1 333 . 1 1 34 34 ALA HB3 H 1 1.00 . . 1 . . . . 34 . . . 6188 1 334 . 1 1 35 35 THR H H 1 7.44 . . 1 . . . . 35 . . . 6188 1 335 . 1 1 35 35 THR N N 15 106.59 . . 1 . . . . 35 . . . 6188 1 336 . 1 1 35 35 THR CA C 13 62.90 . . 1 . . . . 35 . . . 6188 1 337 . 1 1 35 35 THR CB C 13 70.94 . . 1 . . . . 35 . . . 6188 1 338 . 1 1 35 35 THR HA H 1 3.92 . . 1 . . . . 35 . . . 6188 1 339 . 1 1 35 35 THR HB H 1 3.79 . . 1 . . . . 35 . . . 6188 1 340 . 1 1 35 35 THR HG21 H 1 1.01 . . 1 . . . . 35 . . . 6188 1 341 . 1 1 35 35 THR HG22 H 1 1.01 . . 1 . . . . 35 . . . 6188 1 342 . 1 1 35 35 THR HG23 H 1 1.01 . . 1 . . . . 35 . . . 6188 1 343 . 1 1 35 35 THR CG2 C 13 22.53 . . 1 . . . . 35 . . . 6188 1 344 . 1 1 36 36 VAL H H 1 8.68 . . 1 . . . . 36 . . . 6188 1 345 . 1 1 36 36 VAL N N 15 121.54 . . 1 . . . . 36 . . . 6188 1 346 . 1 1 36 36 VAL CA C 13 63.34 . . 1 . . . . 36 . . . 6188 1 347 . 1 1 36 36 VAL CB C 13 33.81 . . 1 . . . . 36 . . . 6188 1 348 . 1 1 36 36 VAL HA H 1 4.26 . . 1 . . . . 36 . . . 6188 1 349 . 1 1 36 36 VAL HB H 1 2.40 . . 1 . . . . 36 . . . 6188 1 350 . 1 1 36 36 VAL HG11 H 1 1.04 . . 2 . . . . 36 . . . 6188 1 351 . 1 1 36 36 VAL HG12 H 1 1.04 . . 2 . . . . 36 . . . 6188 1 352 . 1 1 36 36 VAL HG13 H 1 1.04 . . 2 . . . . 36 . . . 6188 1 353 . 1 1 36 36 VAL CG1 C 13 21.36 . . 2 . . . . 36 . . . 6188 1 354 . 1 1 36 36 VAL HG21 H 1 0.99 . . 2 . . . . 36 . . . 6188 1 355 . 1 1 36 36 VAL HG22 H 1 0.99 . . 2 . . . . 36 . . . 6188 1 356 . 1 1 36 36 VAL HG23 H 1 0.99 . . 2 . . . . 36 . . . 6188 1 357 . 1 1 37 37 GLY H H 1 7.81 . . 1 . . . . 37 . . . 6188 1 358 . 1 1 37 37 GLY N N 15 112.36 . . 1 . . . . 37 . . . 6188 1 359 . 1 1 37 37 GLY CA C 13 43.75 . . 1 . . . . 37 . . . 6188 1 360 . 1 1 37 37 GLY HA3 H 1 4.01 . . 2 . . . . 37 . . . 6188 1 361 . 1 1 37 37 GLY HA2 H 1 4.38 . . 2 . . . . 37 . . . 6188 1 362 . 1 1 38 38 ASP H H 1 8.21 . . 1 . . . . 38 . . . 6188 1 363 . 1 1 38 38 ASP N N 15 119.94 . . 1 . . . . 38 . . . 6188 1 364 . 1 1 38 38 ASP CA C 13 54.96 . . 1 . . . . 38 . . . 6188 1 365 . 1 1 38 38 ASP CB C 13 41.56 . . 1 . . . . 38 . . . 6188 1 366 . 1 1 38 38 ASP HA H 1 4.48 . . 1 . . . . 38 . . . 6188 1 367 . 1 1 38 38 ASP HB3 H 1 2.45 . . 2 . . . . 38 . . . 6188 1 368 . 1 1 38 38 ASP HB2 H 1 2.34 . . 2 . . . . 38 . . . 6188 1 369 . 1 1 39 39 ASN H H 1 8.38 . . 1 . . . . 39 . . . 6188 1 370 . 1 1 39 39 ASN N N 15 121.09 . . 1 . . . . 39 . . . 6188 1 371 . 1 1 39 39 ASN CA C 13 53.52 . . 1 . . . . 39 . . . 6188 1 372 . 1 1 39 39 ASN CB C 13 36.24 . . 1 . . . . 39 . . . 6188 1 373 . 1 1 39 39 ASN HA H 1 1.92 . . 1 . . . . 39 . . . 6188 1 374 . 1 1 39 39 ASN HB2 H 1 0.37 . . 2 . . . . 39 . . . 6188 1 375 . 1 1 40 40 ASP H H 1 7.64 . . 1 . . . . 40 . . . 6188 1 376 . 1 1 40 40 ASP N N 15 127.50 . . 1 . . . . 40 . . . 6188 1 377 . 1 1 40 40 ASP CA C 13 52.54 . . 1 . . . . 40 . . . 6188 1 378 . 1 1 40 40 ASP CB C 13 40.96 . . 1 . . . . 40 . . . 6188 1 379 . 1 1 40 40 ASP HA H 1 4.61 . . 1 . . . . 40 . . . 6188 1 380 . 1 1 40 40 ASP HB2 H 1 2.45 . . 2 . . . . 40 . . . 6188 1 381 . 1 1 41 41 LYS H H 1 7.79 . . 1 . . . . 41 . . . 6188 1 382 . 1 1 41 41 LYS N N 15 120.62 . . 1 . . . . 41 . . . 6188 1 383 . 1 1 41 41 LYS CA C 13 54.68 . . 1 . . . . 41 . . . 6188 1 384 . 1 1 41 41 LYS CB C 13 34.24 . . 1 . . . . 41 . . . 6188 1 385 . 1 1 41 41 LYS HA H 1 4.64 . . 1 . . . . 41 . . . 6188 1 386 . 1 1 41 41 LYS HB2 H 1 2.16 . . 2 . . . . 41 . . . 6188 1 387 . 1 1 41 41 LYS HD2 H 1 2.68 . . 2 . . . . 41 . . . 6188 1 388 . 1 1 41 41 LYS HG3 H 1 2.10 . . 2 . . . . 41 . . . 6188 1 389 . 1 1 41 41 LYS HE2 H 1 3.07 . . 2 . . . . 41 . . . 6188 1 390 . 1 1 41 41 LYS HZ1 H 1 7.99 . . 1 . . . . 41 . . . 6188 1 391 . 1 1 41 41 LYS HZ2 H 1 7.99 . . 1 . . . . 41 . . . 6188 1 392 . 1 1 41 41 LYS HZ3 H 1 7.99 . . 1 . . . . 41 . . . 6188 1 393 . 1 1 41 41 LYS CG C 13 35.12 . . 1 . . . . 41 . . . 6188 1 394 . 1 1 41 41 LYS HG2 H 1 1.76 . . 2 . . . . 41 . . . 6188 1 395 . 1 1 42 42 GLU H H 1 8.81 . . 1 . . . . 42 . . . 6188 1 396 . 1 1 42 42 GLU N N 15 124.71 . . 1 . . . . 42 . . . 6188 1 397 . 1 1 42 42 GLU CA C 13 56.45 . . 1 . . . . 42 . . . 6188 1 398 . 1 1 42 42 GLU CB C 13 30.37 . . 1 . . . . 42 . . . 6188 1 399 . 1 1 42 42 GLU HA H 1 4.27 . . 1 . . . . 42 . . . 6188 1 400 . 1 1 42 42 GLU HB2 H 1 1.96 . . 2 . . . . 42 . . . 6188 1 401 . 1 1 42 42 GLU HG2 H 1 2.32 . . 2 . . . . 42 . . . 6188 1 402 . 1 1 42 42 GLU CG C 13 36.28 . . 1 . . . . 42 . . . 6188 1 403 . 1 1 43 43 LYS H H 1 8.25 . . 1 . . . . 43 . . . 6188 1 404 . 1 1 43 43 LYS N N 15 125.86 . . 1 . . . . 43 . . . 6188 1 405 . 1 1 43 43 LYS CA C 13 54.71 . . 1 . . . . 43 . . . 6188 1 406 . 1 1 43 43 LYS CB C 13 32.94 . . 1 . . . . 43 . . . 6188 1 407 . 1 1 43 43 LYS HA H 1 4.26 . . 1 . . . . 43 . . . 6188 1 408 . 1 1 44 44 PRO CB C 13 32.47 . . 1 . . . . 44 . . . 6188 1 409 . 1 1 44 44 PRO CA C 13 62.62 . . 1 . . . . 44 . . . 6188 1 410 . 1 1 44 44 PRO HB2 H 1 2.40 . . 2 . . . . 44 . . . 6188 1 411 . 1 1 44 44 PRO HA H 1 4.39 . . 1 . . . . 44 . . . 6188 1 412 . 1 1 44 44 PRO HG2 H 1 1.72 . . 2 . . . . 44 . . . 6188 1 413 . 1 1 44 44 PRO HD2 H 1 3.64 . . 2 . . . . 44 . . . 6188 1 414 . 1 1 44 44 PRO CG C 13 27.41 . . 1 . . . . 44 . . . 6188 1 415 . 1 1 44 44 PRO CD C 13 51.54 . . 1 . . . . 44 . . . 6188 1 416 . 1 1 45 45 GLY H H 1 8.37 . . 1 . . . . 45 . . . 6188 1 417 . 1 1 45 45 GLY N N 15 108.13 . . 1 . . . . 45 . . . 6188 1 418 . 1 1 45 45 GLY CA C 13 45.18 . . 1 . . . . 45 . . . 6188 1 419 . 1 1 45 45 GLY HA3 H 1 4.00 . . 2 . . . . 45 . . . 6188 1 420 . 1 1 45 45 GLY HA2 H 1 3.74 . . 2 . . . . 45 . . . 6188 1 421 . 1 1 46 46 ILE H H 1 7.89 . . 1 . . . . 46 . . . 6188 1 422 . 1 1 46 46 ILE N N 15 117.41 . . 1 . . . . 46 . . . 6188 1 423 . 1 1 46 46 ILE CA C 13 62.59 . . 1 . . . . 46 . . . 6188 1 424 . 1 1 46 46 ILE CB C 13 38.81 . . 1 . . . . 46 . . . 6188 1 425 . 1 1 46 46 ILE HA H 1 3.80 . . 1 . . . . 46 . . . 6188 1 426 . 1 1 46 46 ILE HB H 1 1.74 . . 1 . . . . 46 . . . 6188 1 427 . 1 1 46 46 ILE HG21 H 1 0.71 . . 1 . . . . 46 . . . 6188 1 428 . 1 1 46 46 ILE HG22 H 1 0.71 . . 1 . . . . 46 . . . 6188 1 429 . 1 1 46 46 ILE HG23 H 1 0.71 . . 1 . . . . 46 . . . 6188 1 430 . 1 1 46 46 ILE HG13 H 1 1.09 . . 2 . . . . 46 . . . 6188 1 431 . 1 1 46 46 ILE CG1 C 13 27.22 . . 1 . . . . 46 . . . 6188 1 432 . 1 1 46 46 ILE HD11 H 1 0.80 . . 1 . . . . 46 . . . 6188 1 433 . 1 1 46 46 ILE HD12 H 1 0.80 . . 1 . . . . 46 . . . 6188 1 434 . 1 1 46 46 ILE HD13 H 1 0.80 . . 1 . . . . 46 . . . 6188 1 435 . 1 1 46 46 ILE CD1 C 13 13.54 . . 1 . . . . 46 . . . 6188 1 436 . 1 1 46 46 ILE CG2 C 13 17.56 . . 1 . . . . 46 . . . 6188 1 437 . 1 1 46 46 ILE HG12 H 1 1.05 . . 2 . . . . 46 . . . 6188 1 438 . 1 1 47 47 PHE H H 1 7.86 . . 1 . . . . 47 . . . 6188 1 439 . 1 1 47 47 PHE N N 15 120.10 . . 1 . . . . 47 . . . 6188 1 440 . 1 1 47 47 PHE CA C 13 58.35 . . 1 . . . . 47 . . . 6188 1 441 . 1 1 47 47 PHE CB C 13 38.80 . . 1 . . . . 47 . . . 6188 1 442 . 1 1 47 47 PHE HA H 1 4.58 . . 1 . . . . 47 . . . 6188 1 443 . 1 1 47 47 PHE HB3 H 1 3.10 . . 2 . . . . 47 . . . 6188 1 444 . 1 1 47 47 PHE HB2 H 1 3.22 . . 2 . . . . 47 . . . 6188 1 445 . 1 1 47 47 PHE HZ H 1 7.37 . . 1 . . . . 47 . . . 6188 1 446 . 1 1 47 47 PHE CD1 C 13 131.63 . . 3 . . . . 47 . . . 6188 1 447 . 1 1 47 47 PHE HE1 H 1 7.41 . . 3 . . . . 47 . . . 6188 1 448 . 1 1 47 47 PHE HD1 H 1 7.31 . . 3 . . . . 47 . . . 6188 1 449 . 1 1 47 47 PHE CZ C 13 129.78 . . 1 . . . . 47 . . . 6188 1 450 . 1 1 47 47 PHE CE1 C 13 131.26 . . 3 . . . . 47 . . . 6188 1 451 . 1 1 48 48 ASN H H 1 7.83 . . 1 . . . . 48 . . . 6188 1 452 . 1 1 48 48 ASN N N 15 120.50 . . 1 . . . . 48 . . . 6188 1 453 . 1 1 48 48 ASN CA C 13 52.19 . . 1 . . . . 48 . . . 6188 1 454 . 1 1 48 48 ASN CB C 13 38.31 . . 1 . . . . 48 . . . 6188 1 455 . 1 1 48 48 ASN HA H 1 4.88 . . 1 . . . . 48 . . . 6188 1 456 . 1 1 48 48 ASN HB2 H 1 3.07 . . 2 . . . . 48 . . . 6188 1 457 . 1 1 48 48 ASN HB3 H 1 2.70 . . 2 . . . . 48 . . . 6188 1 458 . 1 1 48 48 ASN HD21 H 1 7.05 . . 2 . . . . 48 . . . 6188 1 459 . 1 1 48 48 ASN HD22 H 1 7.58 . . 2 . . . . 48 . . . 6188 1 460 . 1 1 48 48 ASN ND2 N 15 113.46 . . 1 . . . . 48 . . . 6188 1 461 . 1 1 49 49 MET CA C 13 59.56 . . 1 . . . . 49 . . . 6188 1 462 . 1 1 49 49 MET CB C 13 26.78 . . 1 . . . . 49 . . . 6188 1 463 . 1 1 49 49 MET H H 1 8.28 . . 1 . . . . 49 . . . 6188 1 464 . 1 1 49 49 MET N N 15 121.32 . . 1 . . . . 49 . . . 6188 1 465 . 1 1 49 49 MET HB3 H 1 1.95 . . 2 . . . . 49 . . . 6188 1 466 . 1 1 49 49 MET HA H 1 4.38 . . 1 . . . . 49 . . . 6188 1 467 . 1 1 49 49 MET HB2 H 1 1.72 . . 2 . . . . 49 . . . 6188 1 468 . 1 1 50 50 LYS H H 1 8.46 . . 1 . . . . 50 . . . 6188 1 469 . 1 1 50 50 LYS N N 15 119.50 . . 1 . . . . 50 . . . 6188 1 470 . 1 1 50 50 LYS CA C 13 60.21 . . 1 . . . . 50 . . . 6188 1 471 . 1 1 50 50 LYS CB C 13 31.95 . . 1 . . . . 50 . . . 6188 1 472 . 1 1 50 50 LYS HA H 1 4.06 . . 1 . . . . 50 . . . 6188 1 473 . 1 1 50 50 LYS HB2 H 1 1.87 . . 2 . . . . 50 . . . 6188 1 474 . 1 1 50 50 LYS HZ1 H 1 7.85 . . 1 . . . . 50 . . . 6188 1 475 . 1 1 50 50 LYS HZ2 H 1 7.85 . . 1 . . . . 50 . . . 6188 1 476 . 1 1 50 50 LYS HZ3 H 1 7.85 . . 1 . . . . 50 . . . 6188 1 477 . 1 1 51 51 ASP H H 1 7.83 . . 1 . . . . 51 . . . 6188 1 478 . 1 1 51 51 ASP N N 15 118.17 . . 1 . . . . 51 . . . 6188 1 479 . 1 1 51 51 ASP CA C 13 57.82 . . 1 . . . . 51 . . . 6188 1 480 . 1 1 51 51 ASP CB C 13 39.67 . . 1 . . . . 51 . . . 6188 1 481 . 1 1 51 51 ASP HB3 H 1 2.64 . . 2 . . . . 51 . . . 6188 1 482 . 1 1 51 51 ASP HA H 1 4.58 . . 1 . . . . 51 . . . 6188 1 483 . 1 1 51 51 ASP HB2 H 1 1.87 . . 2 . . . . 51 . . . 6188 1 484 . 1 1 52 52 ARG H H 1 8.16 . . 1 . . . . 52 . . . 6188 1 485 . 1 1 52 52 ARG N N 15 122.75 . . 1 . . . . 52 . . . 6188 1 486 . 1 1 52 52 ARG CA C 13 60.57 . . 1 . . . . 52 . . . 6188 1 487 . 1 1 52 52 ARG CB C 13 32.31 . . 1 . . . . 52 . . . 6188 1 488 . 1 1 52 52 ARG HA H 1 3.94 . . 1 . . . . 52 . . . 6188 1 489 . 1 1 52 52 ARG HB2 H 1 1.82 . . 2 . . . . 52 . . . 6188 1 490 . 1 1 52 52 ARG HG2 H 1 1.61 . . 2 . . . . 52 . . . 6188 1 491 . 1 1 52 52 ARG HE H 1 7.68 . . 1 . . . . 52 . . . 6188 1 492 . 1 1 52 52 ARG HG3 H 1 1.50 . . 2 . . . . 52 . . . 6188 1 493 . 1 1 52 52 ARG CG C 13 28.51 . . 1 . . . . 52 . . . 6188 1 494 . 1 1 52 52 ARG HD2 H 1 3.21 . . 2 . . . . 52 . . . 6188 1 495 . 1 1 53 53 TYR H H 1 8.30 . . 1 . . . . 53 . . . 6188 1 496 . 1 1 53 53 TYR N N 15 119.69 . . 1 . . . . 53 . . . 6188 1 497 . 1 1 53 53 TYR CA C 13 60.55 . . 1 . . . . 53 . . . 6188 1 498 . 1 1 53 53 TYR CB C 13 36.98 . . 1 . . . . 53 . . . 6188 1 499 . 1 1 53 53 TYR HA H 1 4.63 . . 1 . . . . 53 . . . 6188 1 500 . 1 1 53 53 TYR HB3 H 1 3.31 . . 2 . . . . 53 . . . 6188 1 501 . 1 1 53 53 TYR HB2 H 1 3.22 . . 2 . . . . 53 . . . 6188 1 502 . 1 1 53 53 TYR HE1 H 1 6.92 . . 3 . . . . 53 . . . 6188 1 503 . 1 1 53 53 TYR CE1 C 13 118.32 . . 3 . . . . 53 . . . 6188 1 504 . 1 1 53 53 TYR HD1 H 1 7.24 . . 3 . . . . 53 . . . 6188 1 505 . 1 1 53 53 TYR CD1 C 13 132.84 . . 3 . . . . 53 . . . 6188 1 506 . 1 1 54 54 LYS H H 1 8.15 . . 1 . . . . 54 . . . 6188 1 507 . 1 1 54 54 LYS N N 15 122.36 . . 1 . . . . 54 . . . 6188 1 508 . 1 1 54 54 LYS CA C 13 61.15 . . 1 . . . . 54 . . . 6188 1 509 . 1 1 54 54 LYS CB C 13 32.69 . . 1 . . . . 54 . . . 6188 1 510 . 1 1 54 54 LYS HE2 H 1 3.23 . . 2 . . . . 54 . . . 6188 1 511 . 1 1 54 54 LYS HA H 1 3.94 . . 1 . . . . 54 . . . 6188 1 512 . 1 1 54 54 LYS HB2 H 1 1.78 . . 2 . . . . 54 . . . 6188 1 513 . 1 1 54 54 LYS HG2 H 1 0.65 . . 2 . . . . 54 . . . 6188 1 514 . 1 1 54 54 LYS HD2 H 1 1.56 . . 2 . . . . 54 . . . 6188 1 515 . 1 1 54 54 LYS CG C 13 26.74 . . 1 . . . . 54 . . . 6188 1 516 . 1 1 55 55 TRP H H 1 8.25 . . 1 . . . . 55 . . . 6188 1 517 . 1 1 55 55 TRP N N 15 120.41 . . 1 . . . . 55 . . . 6188 1 518 . 1 1 55 55 TRP CA C 13 63.06 . . 1 . . . . 55 . . . 6188 1 519 . 1 1 55 55 TRP CB C 13 29.99 . . 1 . . . . 55 . . . 6188 1 520 . 1 1 55 55 TRP HA H 1 4.43 . . 1 . . . . 55 . . . 6188 1 521 . 1 1 55 55 TRP HB3 H 1 3.48 . . 2 . . . . 55 . . . 6188 1 522 . 1 1 55 55 TRP HE1 H 1 9.83 . . 1 . . . . 55 . . . 6188 1 523 . 1 1 55 55 TRP HZ2 H 1 7.44 . . 1 . . . . 55 . . . 6188 1 524 . 1 1 55 55 TRP HD1 H 1 7.40 . . 1 . . . . 55 . . . 6188 1 525 . 1 1 55 55 TRP CD1 C 13 126.38 . . 1 . . . . 55 . . . 6188 1 526 . 1 1 55 55 TRP HE3 H 1 7.49 . . 1 . . . . 55 . . . 6188 1 527 . 1 1 55 55 TRP CE3 C 13 120.40 . . 1 . . . . 55 . . . 6188 1 528 . 1 1 55 55 TRP HH2 H 1 7.24 . . 1 . . . . 55 . . . 6188 1 529 . 1 1 55 55 TRP CH2 C 13 122.17 . . 1 . . . . 55 . . . 6188 1 530 . 1 1 55 55 TRP CZ2 C 13 114.90 . . 1 . . . . 55 . . . 6188 1 531 . 1 1 55 55 TRP HZ3 H 1 7.24 . . 1 . . . . 55 . . . 6188 1 532 . 1 1 55 55 TRP CZ3 C 13 124.66 . . 1 . . . . 55 . . . 6188 1 533 . 1 1 55 55 TRP HB2 H 1 3.70 . . 2 . . . . 55 . . . 6188 1 534 . 1 1 56 56 GLU H H 1 8.94 . . 1 . . . . 56 . . . 6188 1 535 . 1 1 56 56 GLU N N 15 118.71 . . 1 . . . . 56 . . . 6188 1 536 . 1 1 56 56 GLU CA C 13 59.92 . . 1 . . . . 56 . . . 6188 1 537 . 1 1 56 56 GLU CB C 13 30.26 . . 1 . . . . 56 . . . 6188 1 538 . 1 1 56 56 GLU HA H 1 3.99 . . 1 . . . . 56 . . . 6188 1 539 . 1 1 56 56 GLU HG2 H 1 2.40 . . 2 . . . . 56 . . . 6188 1 540 . 1 1 57 57 ALA H H 1 8.18 . . 1 . . . . 57 . . . 6188 1 541 . 1 1 57 57 ALA N N 15 122.65 . . 1 . . . . 57 . . . 6188 1 542 . 1 1 57 57 ALA CA C 13 55.66 . . 1 . . . . 57 . . . 6188 1 543 . 1 1 57 57 ALA CB C 13 18.86 . . 1 . . . . 57 . . . 6188 1 544 . 1 1 57 57 ALA HA H 1 4.28 . . 1 . . . . 57 . . . 6188 1 545 . 1 1 57 57 ALA HB1 H 1 1.78 . . 1 . . . . 57 . . . 6188 1 546 . 1 1 57 57 ALA HB2 H 1 1.78 . . 1 . . . . 57 . . . 6188 1 547 . 1 1 57 57 ALA HB3 H 1 1.78 . . 1 . . . . 57 . . . 6188 1 548 . 1 1 58 58 TRP H H 1 8.25 . . 1 . . . . 58 . . . 6188 1 549 . 1 1 58 58 TRP N N 15 120.13 . . 1 . . . . 58 . . . 6188 1 550 . 1 1 58 58 TRP CA C 13 58.15 . . 1 . . . . 58 . . . 6188 1 551 . 1 1 58 58 TRP CB C 13 30.30 . . 1 . . . . 58 . . . 6188 1 552 . 1 1 58 58 TRP HA H 1 4.94 . . 1 . . . . 58 . . . 6188 1 553 . 1 1 58 58 TRP HB3 H 1 3.59 . . 2 . . . . 58 . . . 6188 1 554 . 1 1 58 58 TRP HE1 H 1 10.09 . . 1 . . . . 58 . . . 6188 1 555 . 1 1 58 58 TRP HD1 H 1 7.69 . . 1 . . . . 58 . . . 6188 1 556 . 1 1 58 58 TRP HZ2 H 1 7.23 . . 1 . . . . 58 . . . 6188 1 557 . 1 1 58 58 TRP CZ2 C 13 115.30 . . 1 . . . . 58 . . . 6188 1 558 . 1 1 58 58 TRP CD1 C 13 127.16 . . 1 . . . . 58 . . . 6188 1 559 . 1 1 58 58 TRP HE3 H 1 7.63 . . 1 . . . . 58 . . . 6188 1 560 . 1 1 58 58 TRP CE3 C 13 120.47 . . 1 . . . . 58 . . . 6188 1 561 . 1 1 58 58 TRP HZ3 H 1 7.20 . . 1 . . . . 58 . . . 6188 1 562 . 1 1 58 58 TRP CZ3 C 13 123.42 . . 1 . . . . 58 . . . 6188 1 563 . 1 1 58 58 TRP HH2 H 1 7.14 . . 1 . . . . 58 . . . 6188 1 564 . 1 1 58 58 TRP CH2 C 13 121.39 . . 1 . . . . 58 . . . 6188 1 565 . 1 1 58 58 TRP HB2 H 1 3.34 . . 2 . . . . 58 . . . 6188 1 566 . 1 1 59 59 GLU H H 1 9.31 . . 1 . . . . 59 . . . 6188 1 567 . 1 1 59 59 GLU N N 15 125.13 . . 1 . . . . 59 . . . 6188 1 568 . 1 1 59 59 GLU CA C 13 59.13 . . 1 . . . . 59 . . . 6188 1 569 . 1 1 59 59 GLU CB C 13 27.89 . . 1 . . . . 59 . . . 6188 1 570 . 1 1 59 59 GLU HA H 1 3.67 . . 1 . . . . 59 . . . 6188 1 571 . 1 1 59 59 GLU HB2 H 1 0.67 . . 2 . . . . 59 . . . 6188 1 572 . 1 1 59 59 GLU HG2 H 1 1.47 . . 2 . . . . 59 . . . 6188 1 573 . 1 1 59 59 GLU CG C 13 34.09 . . 1 . . . . 59 . . . 6188 1 574 . 1 1 60 60 ASN H H 1 7.78 . . 1 . . . . 60 . . . 6188 1 575 . 1 1 60 60 ASN N N 15 115.65 . . 1 . . . . 60 . . . 6188 1 576 . 1 1 60 60 ASN CA C 13 55.31 . . 1 . . . . 60 . . . 6188 1 577 . 1 1 60 60 ASN CB C 13 38.91 . . 1 . . . . 60 . . . 6188 1 578 . 1 1 60 60 ASN HA H 1 4.58 . . 1 . . . . 60 . . . 6188 1 579 . 1 1 60 60 ASN HB3 H 1 2.99 . . 2 . . . . 60 . . . 6188 1 580 . 1 1 60 60 ASN HB2 H 1 2.95 . . 2 . . . . 60 . . . 6188 1 581 . 1 1 60 60 ASN HD22 H 1 7.67 . . 2 . . . . 60 . . . 6188 1 582 . 1 1 60 60 ASN HD21 H 1 7.03 . . 2 . . . . 60 . . . 6188 1 583 . 1 1 60 60 ASN ND2 N 15 113.67 . . 1 . . . . 60 . . . 6188 1 584 . 1 1 61 61 LEU H H 1 7.79 . . 1 . . . . 61 . . . 6188 1 585 . 1 1 61 61 LEU N N 15 118.29 . . 1 . . . . 61 . . . 6188 1 586 . 1 1 61 61 LEU CA C 13 54.02 . . 1 . . . . 61 . . . 6188 1 587 . 1 1 61 61 LEU CB C 13 41.97 . . 1 . . . . 61 . . . 6188 1 588 . 1 1 61 61 LEU HA H 1 4.49 . . 1 . . . . 61 . . . 6188 1 589 . 1 1 61 61 LEU HB2 H 1 2.20 . . 2 . . . . 61 . . . 6188 1 590 . 1 1 61 61 LEU HD11 H 1 0.91 . . 1 . . . . 61 . . . 6188 1 591 . 1 1 61 61 LEU HD12 H 1 0.91 . . 1 . . . . 61 . . . 6188 1 592 . 1 1 61 61 LEU HD13 H 1 0.91 . . 1 . . . . 61 . . . 6188 1 593 . 1 1 61 61 LEU CD1 C 13 22.30 . . 2 . . . . 61 . . . 6188 1 594 . 1 1 61 61 LEU HG H 1 1.55 . . 1 . . . . 61 . . . 6188 1 595 . 1 1 61 61 LEU HD21 H 1 1.04 . . 1 . . . . 61 . . . 6188 1 596 . 1 1 61 61 LEU HD22 H 1 1.04 . . 1 . . . . 61 . . . 6188 1 597 . 1 1 61 61 LEU HD23 H 1 1.04 . . 1 . . . . 61 . . . 6188 1 598 . 1 1 61 61 LEU CG C 13 27.61 . . 1 . . . . 61 . . . 6188 1 599 . 1 1 62 62 LYS H H 1 7.20 . . 1 . . . . 62 . . . 6188 1 600 . 1 1 62 62 LYS N N 15 121.66 . . 1 . . . . 62 . . . 6188 1 601 . 1 1 62 62 LYS CA C 13 59.44 . . 1 . . . . 62 . . . 6188 1 602 . 1 1 62 62 LYS CB C 13 32.11 . . 1 . . . . 62 . . . 6188 1 603 . 1 1 62 62 LYS HA H 1 4.12 . . 1 . . . . 62 . . . 6188 1 604 . 1 1 62 62 LYS HB2 H 1 1.93 . . 2 . . . . 62 . . . 6188 1 605 . 1 1 62 62 LYS HD2 H 1 1.72 . . 2 . . . . 62 . . . 6188 1 606 . 1 1 62 62 LYS HE2 H 1 3.40 . . 2 . . . . 62 . . . 6188 1 607 . 1 1 62 62 LYS HZ1 H 1 7.81 . . 1 . . . . 62 . . . 6188 1 608 . 1 1 62 62 LYS HZ2 H 1 7.81 . . 1 . . . . 62 . . . 6188 1 609 . 1 1 62 62 LYS HZ3 H 1 7.81 . . 1 . . . . 62 . . . 6188 1 610 . 1 1 62 62 LYS HG2 H 1 1.29 . . 2 . . . . 62 . . . 6188 1 611 . 1 1 62 62 LYS CD C 13 29.28 . . 1 . . . . 62 . . . 6188 1 612 . 1 1 63 63 GLY H H 1 9.86 . . 1 . . . . 63 . . . 6188 1 613 . 1 1 63 63 GLY N N 15 117.86 . . 1 . . . . 63 . . . 6188 1 614 . 1 1 63 63 GLY CA C 13 44.81 . . 1 . . . . 63 . . . 6188 1 615 . 1 1 63 63 GLY HA3 H 1 4.43 . . 2 . . . . 63 . . . 6188 1 616 . 1 1 63 63 GLY HA2 H 1 3.80 . . 2 . . . . 63 . . . 6188 1 617 . 1 1 64 64 LYS H H 1 8.48 . . 1 . . . . 64 . . . 6188 1 618 . 1 1 64 64 LYS N N 15 125.58 . . 1 . . . . 64 . . . 6188 1 619 . 1 1 64 64 LYS CA C 13 56.37 . . 1 . . . . 64 . . . 6188 1 620 . 1 1 64 64 LYS HA H 1 4.44 . . 1 . . . . 64 . . . 6188 1 621 . 1 1 64 64 LYS HB2 H 1 1.73 . . 2 . . . . 64 . . . 6188 1 622 . 1 1 64 64 LYS HG3 H 1 1.77 . . 2 . . . . 64 . . . 6188 1 623 . 1 1 64 64 LYS CG C 13 22.34 . . 1 . . . . 64 . . . 6188 1 624 . 1 1 64 64 LYS HG2 H 1 2.09 . . 2 . . . . 64 . . . 6188 1 625 . 1 1 64 64 LYS CB C 13 33.20 . . 1 . . . . 64 . . . 6188 1 626 . 1 1 65 65 SER H H 1 9.72 . . 1 . . . . 65 . . . 6188 1 627 . 1 1 65 65 SER N N 15 127.81 . . 1 . . . . 65 . . . 6188 1 628 . 1 1 65 65 SER CA C 13 58.37 . . 1 . . . . 65 . . . 6188 1 629 . 1 1 65 65 SER CB C 13 64.44 . . 1 . . . . 65 . . . 6188 1 630 . 1 1 65 65 SER HG H 1 6.09 . . 1 . . . . 65 . . . 6188 1 631 . 1 1 65 65 SER HA H 1 4.43 . . 1 . . . . 65 . . . 6188 1 632 . 1 1 65 65 SER HB2 H 1 4.20 . . 2 . . . . 65 . . . 6188 1 633 . 1 1 66 66 GLN H H 1 9.09 . . 1 . . . . 66 . . . 6188 1 634 . 1 1 66 66 GLN N N 15 123.34 . . 1 . . . . 66 . . . 6188 1 635 . 1 1 66 66 GLN CA C 13 60.22 . . 1 . . . . 66 . . . 6188 1 636 . 1 1 66 66 GLN CB C 13 29.43 . . 1 . . . . 66 . . . 6188 1 637 . 1 1 66 66 GLN HA H 1 4.16 . . 1 . . . . 66 . . . 6188 1 638 . 1 1 66 66 GLN HB3 H 1 2.04 . . 2 . . . . 66 . . . 6188 1 639 . 1 1 66 66 GLN HG2 H 1 2.94 . . 2 . . . . 66 . . . 6188 1 640 . 1 1 66 66 GLN CG C 13 35.85 . . 1 . . . . 66 . . . 6188 1 641 . 1 1 66 66 GLN HB2 H 1 2.37 . . 2 . . . . 66 . . . 6188 1 642 . 1 1 66 66 GLN HE21 H 1 6.68 . . 2 . . . . 66 . . . 6188 1 643 . 1 1 66 66 GLN HE22 H 1 6.78 . . 2 . . . . 66 . . . 6188 1 644 . 1 1 66 66 GLN NE2 N 15 110.88 . . 1 . . . . 66 . . . 6188 1 645 . 1 1 67 67 GLU H H 1 8.76 . . 1 . . . . 67 . . . 6188 1 646 . 1 1 67 67 GLU N N 15 118.80 . . 1 . . . . 67 . . . 6188 1 647 . 1 1 67 67 GLU CA C 13 60.23 . . 1 . . . . 67 . . . 6188 1 648 . 1 1 67 67 GLU CB C 13 29.40 . . 1 . . . . 67 . . . 6188 1 649 . 1 1 67 67 GLU HB2 H 1 2.10 . . 2 . . . . 67 . . . 6188 1 650 . 1 1 67 67 GLU HG2 H 1 2.39 . . 2 . . . . 67 . . . 6188 1 651 . 1 1 67 67 GLU HA H 1 4.12 . . 1 . . . . 67 . . . 6188 1 652 . 1 1 68 68 ASP H H 1 8.00 . . 1 . . . . 68 . . . 6188 1 653 . 1 1 68 68 ASP N N 15 122.48 . . 1 . . . . 68 . . . 6188 1 654 . 1 1 68 68 ASP CA C 13 57.41 . . 1 . . . . 68 . . . 6188 1 655 . 1 1 68 68 ASP CB C 13 39.72 . . 1 . . . . 68 . . . 6188 1 656 . 1 1 68 68 ASP HA H 1 4.55 . . 1 . . . . 68 . . . 6188 1 657 . 1 1 68 68 ASP HB2 H 1 2.64 . . 2 . . . . 68 . . . 6188 1 658 . 1 1 68 68 ASP HB3 H 1 2.75 . . 2 . . . . 68 . . . 6188 1 659 . 1 1 69 69 ALA H H 1 8.47 . . 1 . . . . 69 . . . 6188 1 660 . 1 1 69 69 ALA N N 15 122.29 . . 1 . . . . 69 . . . 6188 1 661 . 1 1 69 69 ALA CA C 13 55.33 . . 1 . . . . 69 . . . 6188 1 662 . 1 1 69 69 ALA CB C 13 17.59 . . 1 . . . . 69 . . . 6188 1 663 . 1 1 69 69 ALA HA H 1 4.04 . . 1 . . . . 69 . . . 6188 1 664 . 1 1 69 69 ALA HB1 H 1 1.46 . . 1 . . . . 69 . . . 6188 1 665 . 1 1 69 69 ALA HB2 H 1 1.46 . . 1 . . . . 69 . . . 6188 1 666 . 1 1 69 69 ALA HB3 H 1 1.46 . . 1 . . . . 69 . . . 6188 1 667 . 1 1 70 70 GLU H H 1 8.44 . . 1 . . . . 70 . . . 6188 1 668 . 1 1 70 70 GLU N N 15 119.15 . . 1 . . . . 70 . . . 6188 1 669 . 1 1 70 70 GLU CA C 13 60.24 . . 1 . . . . 70 . . . 6188 1 670 . 1 1 70 70 GLU CB C 13 29.95 . . 1 . . . . 70 . . . 6188 1 671 . 1 1 70 70 GLU HA H 1 3.99 . . 1 . . . . 70 . . . 6188 1 672 . 1 1 70 70 GLU HB2 H 1 2.06 . . 2 . . . . 70 . . . 6188 1 673 . 1 1 70 70 GLU HG2 H 1 2.36 . . 2 . . . . 70 . . . 6188 1 674 . 1 1 70 70 GLU CG C 13 37.08 . . 1 . . . . 70 . . . 6188 1 675 . 1 1 71 71 LYS H H 1 7.69 . . 1 . . . . 71 . . . 6188 1 676 . 1 1 71 71 LYS N N 15 118.55 . . 1 . . . . 71 . . . 6188 1 677 . 1 1 71 71 LYS CA C 13 60.26 . . 1 . . . . 71 . . . 6188 1 678 . 1 1 71 71 LYS CB C 13 32.80 . . 1 . . . . 71 . . . 6188 1 679 . 1 1 71 71 LYS HB2 H 1 2.12 . . 2 . . . . 71 . . . 6188 1 680 . 1 1 71 71 LYS HA H 1 4.11 . . 1 . . . . 71 . . . 6188 1 681 . 1 1 71 71 LYS HD2 H 1 1.80 . . 2 . . . . 71 . . . 6188 1 682 . 1 1 71 71 LYS HG2 H 1 1.62 . . 2 . . . . 71 . . . 6188 1 683 . 1 1 72 72 GLU H H 1 8.66 . . 1 . . . . 72 . . . 6188 1 684 . 1 1 72 72 GLU N N 15 121.49 . . 1 . . . . 72 . . . 6188 1 685 . 1 1 72 72 GLU CA C 13 59.69 . . 1 . . . . 72 . . . 6188 1 686 . 1 1 72 72 GLU CB C 13 30.44 . . 1 . . . . 72 . . . 6188 1 687 . 1 1 72 72 GLU HA H 1 4.12 . . 1 . . . . 72 . . . 6188 1 688 . 1 1 72 72 GLU HB2 H 1 2.21 . . 2 . . . . 72 . . . 6188 1 689 . 1 1 72 72 GLU HG2 H 1 2.50 . . 2 . . . . 72 . . . 6188 1 690 . 1 1 73 73 TYR H H 1 9.20 . . 1 . . . . 73 . . . 6188 1 691 . 1 1 73 73 TYR N N 15 124.89 . . 1 . . . . 73 . . . 6188 1 692 . 1 1 73 73 TYR CA C 13 62.64 . . 1 . . . . 73 . . . 6188 1 693 . 1 1 73 73 TYR CB C 13 39.29 . . 1 . . . . 73 . . . 6188 1 694 . 1 1 73 73 TYR HA H 1 4.01 . . 1 . . . . 73 . . . 6188 1 695 . 1 1 73 73 TYR HB3 H 1 3.26 . . 2 . . . . 73 . . . 6188 1 696 . 1 1 73 73 TYR HH H 1 9.39 . . 1 . . . . 73 . . . 6188 1 697 . 1 1 73 73 TYR HB2 H 1 3.53 . . 2 . . . . 73 . . . 6188 1 698 . 1 1 73 73 TYR HE1 H 1 6.81 . . 3 . . . . 73 . . . 6188 1 699 . 1 1 73 73 TYR HD1 H 1 7.11 . . 3 . . . . 73 . . . 6188 1 700 . 1 1 73 73 TYR CD1 C 13 131.99 . . 3 . . . . 73 . . . 6188 1 701 . 1 1 74 74 ILE H H 1 8.20 . . 1 . . . . 74 . . . 6188 1 702 . 1 1 74 74 ILE N N 15 119.78 . . 1 . . . . 74 . . . 6188 1 703 . 1 1 74 74 ILE CA C 13 66.70 . . 1 . . . . 74 . . . 6188 1 704 . 1 1 74 74 ILE CB C 13 38.99 . . 1 . . . . 74 . . . 6188 1 705 . 1 1 74 74 ILE HB H 1 2.03 . . 1 . . . . 74 . . . 6188 1 706 . 1 1 74 74 ILE HA H 1 3.31 . . 1 . . . . 74 . . . 6188 1 707 . 1 1 74 74 ILE HG21 H 1 0.98 . . 1 . . . . 74 . . . 6188 1 708 . 1 1 74 74 ILE HG22 H 1 0.98 . . 1 . . . . 74 . . . 6188 1 709 . 1 1 74 74 ILE HG23 H 1 0.98 . . 1 . . . . 74 . . . 6188 1 710 . 1 1 74 74 ILE CG2 C 13 17.00 . . 1 . . . . 74 . . . 6188 1 711 . 1 1 75 75 ALA H H 1 7.73 . . 1 . . . . 75 . . . 6188 1 712 . 1 1 75 75 ALA N N 15 118.87 . . 1 . . . . 75 . . . 6188 1 713 . 1 1 75 75 ALA CA C 13 55.07 . . 1 . . . . 75 . . . 6188 1 714 . 1 1 75 75 ALA CB C 13 18.32 . . 1 . . . . 75 . . . 6188 1 715 . 1 1 75 75 ALA HA H 1 4.26 . . 1 . . . . 75 . . . 6188 1 716 . 1 1 75 75 ALA HB1 H 1 1.64 . . 1 . . . . 75 . . . 6188 1 717 . 1 1 75 75 ALA HB2 H 1 1.64 . . 1 . . . . 75 . . . 6188 1 718 . 1 1 75 75 ALA HB3 H 1 1.64 . . 1 . . . . 75 . . . 6188 1 719 . 1 1 76 76 LEU H H 1 8.13 . . 1 . . . . 76 . . . 6188 1 720 . 1 1 76 76 LEU N N 15 122.38 . . 1 . . . . 76 . . . 6188 1 721 . 1 1 76 76 LEU CA C 13 57.78 . . 1 . . . . 76 . . . 6188 1 722 . 1 1 76 76 LEU HA H 1 4.23 . . 1 . . . . 76 . . . 6188 1 723 . 1 1 76 76 LEU HD11 H 1 0.95 . . 2 . . . . 76 . . . 6188 1 724 . 1 1 76 76 LEU HD12 H 1 0.95 . . 2 . . . . 76 . . . 6188 1 725 . 1 1 76 76 LEU HD13 H 1 0.95 . . 2 . . . . 76 . . . 6188 1 726 . 1 1 76 76 LEU CD1 C 13 26.83 . . 1 . . . . 76 . . . 6188 1 727 . 1 1 76 76 LEU HB2 H 1 1.49 . . 2 . . . . 76 . . . 6188 1 728 . 1 1 76 76 LEU HG H 1 1.91 . . 1 . . . . 76 . . . 6188 1 729 . 1 1 76 76 LEU CG C 13 27.49 . . 1 . . . . 76 . . . 6188 1 730 . 1 1 76 76 LEU CB C 13 41.23 . . 1 . . . . 76 . . . 6188 1 731 . 1 1 77 77 VAL H H 1 8.60 . . 1 . . . . 77 . . . 6188 1 732 . 1 1 77 77 VAL N N 15 121.09 . . 1 . . . . 77 . . . 6188 1 733 . 1 1 77 77 VAL CA C 13 68.91 . . 1 . . . . 77 . . . 6188 1 734 . 1 1 77 77 VAL CB C 13 30.51 . . 1 . . . . 77 . . . 6188 1 735 . 1 1 77 77 VAL HA H 1 3.28 . . 1 . . . . 77 . . . 6188 1 736 . 1 1 77 77 VAL HB H 1 1.95 . . 1 . . . . 77 . . . 6188 1 737 . 1 1 77 77 VAL HG21 H 1 0.37 . . 1 . . . . 77 . . . 6188 1 738 . 1 1 77 77 VAL HG22 H 1 0.37 . . 1 . . . . 77 . . . 6188 1 739 . 1 1 77 77 VAL HG23 H 1 0.37 . . 1 . . . . 77 . . . 6188 1 740 . 1 1 77 77 VAL CG1 C 13 23.61 . . 1 . . . . 77 . . . 6188 1 741 . 1 1 77 77 VAL HG11 H 1 1.00 . . 1 . . . . 77 . . . 6188 1 742 . 1 1 77 77 VAL HG12 H 1 1.00 . . 1 . . . . 77 . . . 6188 1 743 . 1 1 77 77 VAL HG13 H 1 1.00 . . 1 . . . . 77 . . . 6188 1 744 . 1 1 77 77 VAL CG2 C 13 22.11 . . 1 . . . . 77 . . . 6188 1 745 . 1 1 78 78 ASP H H 1 8.27 . . 1 . . . . 78 . . . 6188 1 746 . 1 1 78 78 ASP N N 15 119.14 . . 1 . . . . 78 . . . 6188 1 747 . 1 1 78 78 ASP CA C 13 58.39 . . 1 . . . . 78 . . . 6188 1 748 . 1 1 78 78 ASP CB C 13 39.78 . . 1 . . . . 78 . . . 6188 1 749 . 1 1 78 78 ASP HA H 1 4.56 . . 1 . . . . 78 . . . 6188 1 750 . 1 1 78 78 ASP HB2 H 1 2.77 . . 2 . . . . 78 . . . 6188 1 751 . 1 1 79 79 GLN H H 1 8.00 . . 1 . . . . 79 . . . 6188 1 752 . 1 1 79 79 GLN N N 15 122.63 . . 1 . . . . 79 . . . 6188 1 753 . 1 1 79 79 GLN CA C 13 59.30 . . 1 . . . . 79 . . . 6188 1 754 . 1 1 79 79 GLN CB C 13 28.75 . . 1 . . . . 79 . . . 6188 1 755 . 1 1 79 79 GLN HA H 1 4.15 . . 1 . . . . 79 . . . 6188 1 756 . 1 1 79 79 GLN HB2 H 1 2.34 . . 2 . . . . 79 . . . 6188 1 757 . 1 1 79 79 GLN HG2 H 1 2.57 . . 2 . . . . 79 . . . 6188 1 758 . 1 1 80 80 LEU H H 1 8.76 . . 1 . . . . 80 . . . 6188 1 759 . 1 1 80 80 LEU N N 15 123.04 . . 1 . . . . 80 . . . 6188 1 760 . 1 1 80 80 LEU CA C 13 58.03 . . 1 . . . . 80 . . . 6188 1 761 . 1 1 80 80 LEU CB C 13 41.34 . . 1 . . . . 80 . . . 6188 1 762 . 1 1 80 80 LEU HA H 1 4.20 . . 1 . . . . 80 . . . 6188 1 763 . 1 1 80 80 LEU HB2 H 1 2.22 . . 2 . . . . 80 . . . 6188 1 764 . 1 1 80 80 LEU HD21 H 1 0.93 . . 2 . . . . 80 . . . 6188 1 765 . 1 1 80 80 LEU HD22 H 1 0.93 . . 2 . . . . 80 . . . 6188 1 766 . 1 1 80 80 LEU HD23 H 1 0.93 . . 2 . . . . 80 . . . 6188 1 767 . 1 1 80 80 LEU HD11 H 1 0.97 . . 2 . . . . 80 . . . 6188 1 768 . 1 1 80 80 LEU HD12 H 1 0.97 . . 2 . . . . 80 . . . 6188 1 769 . 1 1 80 80 LEU HD13 H 1 0.97 . . 2 . . . . 80 . . . 6188 1 770 . 1 1 80 80 LEU CG C 13 27.09 . . 1 . . . . 80 . . . 6188 1 771 . 1 1 80 80 LEU HG H 1 1.48 . . 1 . . . . 80 . . . 6188 1 772 . 1 1 80 80 LEU CD1 C 13 23.16 . . 2 . . . . 80 . . . 6188 1 773 . 1 1 81 81 ILE H H 1 9.32 . . 1 . . . . 81 . . . 6188 1 774 . 1 1 81 81 ILE N N 15 121.99 . . 1 . . . . 81 . . . 6188 1 775 . 1 1 81 81 ILE CA C 13 65.74 . . 1 . . . . 81 . . . 6188 1 776 . 1 1 81 81 ILE CB C 13 38.33 . . 1 . . . . 81 . . . 6188 1 777 . 1 1 81 81 ILE HA H 1 3.76 . . 1 . . . . 81 . . . 6188 1 778 . 1 1 81 81 ILE HB H 1 1.96 . . 1 . . . . 81 . . . 6188 1 779 . 1 1 81 81 ILE HG21 H 1 0.94 . . 1 . . . . 81 . . . 6188 1 780 . 1 1 81 81 ILE HG22 H 1 0.94 . . 1 . . . . 81 . . . 6188 1 781 . 1 1 81 81 ILE HG23 H 1 0.94 . . 1 . . . . 81 . . . 6188 1 782 . 1 1 81 81 ILE HG12 H 1 1.07 . . 2 . . . . 81 . . . 6188 1 783 . 1 1 81 81 ILE CG1 C 13 29.55 . . 1 . . . . 81 . . . 6188 1 784 . 1 1 81 81 ILE CG2 C 13 16.93 . . 1 . . . . 81 . . . 6188 1 785 . 1 1 81 81 ILE HD11 H 1 0.87 . . 1 . . . . 81 . . . 6188 1 786 . 1 1 81 81 ILE HD12 H 1 0.87 . . 1 . . . . 81 . . . 6188 1 787 . 1 1 81 81 ILE HD13 H 1 0.87 . . 1 . . . . 81 . . . 6188 1 788 . 1 1 81 81 ILE CD1 C 13 14.17 . . 1 . . . . 81 . . . 6188 1 789 . 1 1 82 82 ALA H H 1 7.54 . . 1 . . . . 82 . . . 6188 1 790 . 1 1 82 82 ALA N N 15 121.84 . . 1 . . . . 82 . . . 6188 1 791 . 1 1 82 82 ALA CA C 13 54.93 . . 1 . . . . 82 . . . 6188 1 792 . 1 1 82 82 ALA CB C 13 18.04 . . 1 . . . . 82 . . . 6188 1 793 . 1 1 82 82 ALA HB1 H 1 1.52 . . 1 . . . . 82 . . . 6188 1 794 . 1 1 82 82 ALA HB2 H 1 1.52 . . 1 . . . . 82 . . . 6188 1 795 . 1 1 82 82 ALA HB3 H 1 1.52 . . 1 . . . . 82 . . . 6188 1 796 . 1 1 82 82 ALA HA H 1 4.17 . . 1 . . . . 82 . . . 6188 1 797 . 1 1 83 83 LYS H H 1 7.85 . . 1 . . . . 83 . . . 6188 1 798 . 1 1 83 83 LYS N N 15 118.86 . . 1 . . . . 83 . . . 6188 1 799 . 1 1 83 83 LYS CA C 13 59.47 . . 1 . . . . 83 . . . 6188 1 800 . 1 1 83 83 LYS CB C 13 34.05 . . 1 . . . . 83 . . . 6188 1 801 . 1 1 83 83 LYS HA H 1 3.96 . . 1 . . . . 83 . . . 6188 1 802 . 1 1 83 83 LYS HD2 H 1 1.49 . . 2 . . . . 83 . . . 6188 1 803 . 1 1 83 83 LYS HG2 H 1 0.23 . . 2 . . . . 83 . . . 6188 1 804 . 1 1 83 83 LYS HB2 H 1 1.65 . . 2 . . . . 83 . . . 6188 1 805 . 1 1 83 83 LYS CG C 13 24.92 . . 1 . . . . 83 . . . 6188 1 806 . 1 1 83 83 LYS CD C 13 30.40 . . 1 . . . . 83 . . . 6188 1 807 . 1 1 83 83 LYS HG3 H 1 1.03 . . 2 . . . . 83 . . . 6188 1 808 . 1 1 83 83 LYS HE2 H 1 2.77 . . 2 . . . . 83 . . . 6188 1 809 . 1 1 84 84 TYR H H 1 8.28 . . 1 . . . . 84 . . . 6188 1 810 . 1 1 84 84 TYR N N 15 115.65 . . 1 . . . . 84 . . . 6188 1 811 . 1 1 84 84 TYR CA C 13 58.92 . . 1 . . . . 84 . . . 6188 1 812 . 1 1 84 84 TYR CB C 13 39.03 . . 1 . . . . 84 . . . 6188 1 813 . 1 1 84 84 TYR HA H 1 4.90 . . 1 . . . . 84 . . . 6188 1 814 . 1 1 84 84 TYR HB3 H 1 2.88 . . 2 . . . . 84 . . . 6188 1 815 . 1 1 84 84 TYR HB2 H 1 3.44 . . 2 . . . . 84 . . . 6188 1 816 . 1 1 84 84 TYR HE1 H 1 6.89 . . 3 . . . . 84 . . . 6188 1 817 . 1 1 84 84 TYR HD1 H 1 7.23 . . 3 . . . . 84 . . . 6188 1 818 . 1 1 84 84 TYR CE1 C 13 118.04 . . 3 . . . . 84 . . . 6188 1 819 . 1 1 84 84 TYR CD1 C 13 132.64 . . 3 . . . . 84 . . . 6188 1 820 . 1 1 85 85 SER H H 1 7.84 . . 1 . . . . 85 . . . 6188 1 821 . 1 1 85 85 SER N N 15 115.92 . . 1 . . . . 85 . . . 6188 1 822 . 1 1 85 85 SER CA C 13 59.44 . . 1 . . . . 85 . . . 6188 1 823 . 1 1 85 85 SER CB C 13 64.15 . . 1 . . . . 85 . . . 6188 1 824 . 1 1 85 85 SER HB3 H 1 4.05 . . 2 . . . . 85 . . . 6188 1 825 . 1 1 85 85 SER HA H 1 4.65 . . 1 . . . . 85 . . . 6188 1 826 . 1 1 85 85 SER HB2 H 1 4.15 . . 2 . . . . 85 . . . 6188 1 827 . 1 1 86 86 SER H H 1 7.93 . . 1 . . . . 86 . . . 6188 1 828 . 1 1 86 86 SER N N 15 123.25 . . 1 . . . . 86 . . . 6188 1 829 . 1 1 86 86 SER CA C 13 60.36 . . 1 . . . . 86 . . . 6188 1 830 . 1 1 86 86 SER CB C 13 65.23 . . 1 . . . . 86 . . . 6188 1 831 . 1 1 86 86 SER HA H 1 4.35 . . 1 . . . . 86 . . . 6188 1 832 . 1 1 86 86 SER HB3 H 1 3.96 . . 2 . . . . 86 . . . 6188 1 833 . 1 1 86 86 SER HB2 H 1 3.83 . . 2 . . . . 86 . . . 6188 1 stop_ save_