data_4989 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4989 _Entry.Title ; Solution Structure of B.subtilis Acyl Carrier Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-04-16 _Entry.Accession_date 2001-04-17 _Entry.Last_release_date 2002-04-03 _Entry.Original_release_date 2002-04-03 _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 G.-Y. Xu . . . 4989 2 A. Tam . . . 4989 3 L. Lin . . . 4989 4 J. Hixon . . . 4989 5 C. Fritz . C. . 4989 6 R. Powers . . . 4989 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4989 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 561 4989 '13C chemical shifts' 259 4989 '15N chemical shifts' 84 4989 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 . . 2002-04-03 2001-04-16 original author . 4989 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4989 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21416009 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of B.subtilis Acyl Carrier Protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 9 _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 277 _Citation.Page_last 287 _Citation.Year 2001 _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 G.-Y. Xu . . . 4989 1 2 A. Tam . . . 4989 1 3 L. Lin . . . 4989 1 4 J. Hixon . . . 4989 1 5 C. Fritz . C. . 4989 1 6 R. Powers . . . 4989 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID apo-ACP 4989 1 holo-ACP 4989 1 ACPS 4989 1 'Fatty Acid Biosynthesis' 4989 1 "4' phosphopantetheine prosthetic group" 4989 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ACP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ACP _Assembly.Entry_ID 4989 _Assembly.ID 1 _Assembly.Name 'B. subtilis ACYL CARRIER 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 4989 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 CARRIER PROTEIN' 1 $ACYL_CARRIER_PROTEIN . . . native . . . . . 4989 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1HY8 . . . . . . 4989 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'B. subtilis ACYL CARRIER PROTEIN' system 4989 1 ACP abbreviation 4989 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ACYL_CARRIER_PROTEIN _Entity.Sf_category entity _Entity.Sf_framecode ACYL_CARRIER_PROTEIN _Entity.Entry_ID 4989 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'B. subtilis ACYL CARRIER 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 ; GPLGSADTLERVTKIIVDRL GVDEADVKLEASFKEDLGAD SLDVVELVMELEDEFDMEIS DEDAEKIATVGDAVNYIQNQ Q ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 2015-01-28 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 1F80 . "Holo-(Acyl Carrier Protein) Synthase In Complex With Holo- (Acyl Carrier Protein)" . . . . . 100.00 81 98.77 98.77 2.71e-46 . . . . 4989 1 2 no PDB 1HY8 . "Solution Structure Of B. Subtilis Acyl Carrier Protein" . . . . . 92.59 76 100.00 100.00 7.18e-42 . . . . 4989 1 3 no PDB 2X2B . "Crystal Structure Of Malonyl-Acp (Acyl Carrier Protein) From Bacillus Subtilis" . . . . . 96.30 78 98.72 98.72 2.31e-43 . . . . 4989 1 4 no DBJ BAA10975 . "ORF2 [Bacillus subtilis]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 5 no DBJ BAI85218 . "acyl carrier protein [Bacillus subtilis subsp. natto BEST195]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 6 no DBJ BAM52238 . "acyl carrier protein [Synechocystis sp. PCC 6803]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 7 no DBJ BAM57814 . "acyl carrier protein [Bacillus subtilis BEST7003]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 8 no DBJ GAK80569 . "acyl carrier protein [Bacillus subtilis Miyagi-4]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 9 no EMBL CAB13465 . "acyl carrier protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 10 no EMBL CBI42790 . "acyl carrier protein [Bacillus amyloliquefaciens DSM 7]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 11 no EMBL CCF05080 . "Acyl carrier protein ACP [Bacillus amyloliquefaciens subsp. plantarum CAU B946]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 12 no EMBL CCG49565 . "Acyl carrier protein ACP [Bacillus amyloliquefaciens subsp. plantarum YAU B9601-Y2]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 13 no EMBL CCP21556 . "acyl carrier protein [Bacillus amyloliquefaciens subsp. plantarum UCMB5036]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 14 no GB ABS73938 . "AcpA [Bacillus amyloliquefaciens subsp. plantarum str. FZB42]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 15 no GB ADM37686 . "acyl carrier protein [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 16 no GB ADP32105 . "acyl carrier protein [Bacillus atrophaeus 1942]" . . . . . 93.83 77 98.68 98.68 7.07e-42 . . . . 4989 1 17 no GB ADV96618 . "acyl carrier protein [Bacillus subtilis BSn5]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 18 no GB AEB24004 . "acyl carrier protein [Bacillus amyloliquefaciens TA208]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 19 no REF NP_389474 . "acyl carrier protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 20 no REF WP_003154310 . "MULTISPECIES: acyl carrier protein [Bacillales]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 21 no REF WP_003328976 . "MULTISPECIES: acyl carrier protein [Bacillus subtilis group]" . . . . . 93.83 77 98.68 98.68 7.07e-42 . . . . 4989 1 22 no REF YP_001421169 . "acyl carrier protein [Bacillus amyloliquefaciens subsp. plantarum str. FZB42]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 23 no REF YP_003865995 . "acyl carrier protein [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 24 no SP A7Z4L2 . "RecName: Full=Acyl carrier protein; Short=ACP [Bacillus amyloliquefaciens subsp. plantarum str. FZB42]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 25 no SP P80643 . "RecName: Full=Acyl carrier protein; Short=ACP [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 93.83 77 100.00 100.00 1.10e-42 . . . . 4989 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'B. subtilis ACYL CARRIER PROTEIN' common 4989 1 ACP abbreviation 4989 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 . GLY . 4989 1 2 . PRO . 4989 1 3 . LEU . 4989 1 4 . GLY . 4989 1 5 . SER . 4989 1 6 . ALA . 4989 1 7 . ASP . 4989 1 8 . THR . 4989 1 9 . LEU . 4989 1 10 . GLU . 4989 1 11 . ARG . 4989 1 12 . VAL . 4989 1 13 . THR . 4989 1 14 . LYS . 4989 1 15 . ILE . 4989 1 16 . ILE . 4989 1 17 . VAL . 4989 1 18 . ASP . 4989 1 19 . ARG . 4989 1 20 . LEU . 4989 1 21 . GLY . 4989 1 22 . VAL . 4989 1 23 . ASP . 4989 1 24 . GLU . 4989 1 25 . ALA . 4989 1 26 . ASP . 4989 1 27 . VAL . 4989 1 28 . LYS . 4989 1 29 . LEU . 4989 1 30 . GLU . 4989 1 31 . ALA . 4989 1 32 . SER . 4989 1 33 . PHE . 4989 1 34 . LYS . 4989 1 35 . GLU . 4989 1 36 . ASP . 4989 1 37 . LEU . 4989 1 38 . GLY . 4989 1 39 . ALA . 4989 1 40 . ASP . 4989 1 41 . SER . 4989 1 42 . LEU . 4989 1 43 . ASP . 4989 1 44 . VAL . 4989 1 45 . VAL . 4989 1 46 . GLU . 4989 1 47 . LEU . 4989 1 48 . VAL . 4989 1 49 . MET . 4989 1 50 . GLU . 4989 1 51 . LEU . 4989 1 52 . GLU . 4989 1 53 . ASP . 4989 1 54 . GLU . 4989 1 55 . PHE . 4989 1 56 . ASP . 4989 1 57 . MET . 4989 1 58 . GLU . 4989 1 59 . ILE . 4989 1 60 . SER . 4989 1 61 . ASP . 4989 1 62 . GLU . 4989 1 63 . ASP . 4989 1 64 . ALA . 4989 1 65 . GLU . 4989 1 66 . LYS . 4989 1 67 . ILE . 4989 1 68 . ALA . 4989 1 69 . THR . 4989 1 70 . VAL . 4989 1 71 . GLY . 4989 1 72 . ASP . 4989 1 73 . ALA . 4989 1 74 . VAL . 4989 1 75 . ASN . 4989 1 76 . TYR . 4989 1 77 . ILE . 4989 1 78 . GLN . 4989 1 79 . ASN . 4989 1 80 . GLN . 4989 1 81 . GLN . 4989 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 . GLY 1 1 4989 1 . PRO 2 2 4989 1 . LEU 3 3 4989 1 . GLY 4 4 4989 1 . SER 5 5 4989 1 . ALA 6 6 4989 1 . ASP 7 7 4989 1 . THR 8 8 4989 1 . LEU 9 9 4989 1 . GLU 10 10 4989 1 . ARG 11 11 4989 1 . VAL 12 12 4989 1 . THR 13 13 4989 1 . LYS 14 14 4989 1 . ILE 15 15 4989 1 . ILE 16 16 4989 1 . VAL 17 17 4989 1 . ASP 18 18 4989 1 . ARG 19 19 4989 1 . LEU 20 20 4989 1 . GLY 21 21 4989 1 . VAL 22 22 4989 1 . ASP 23 23 4989 1 . GLU 24 24 4989 1 . ALA 25 25 4989 1 . ASP 26 26 4989 1 . VAL 27 27 4989 1 . LYS 28 28 4989 1 . LEU 29 29 4989 1 . GLU 30 30 4989 1 . ALA 31 31 4989 1 . SER 32 32 4989 1 . PHE 33 33 4989 1 . LYS 34 34 4989 1 . GLU 35 35 4989 1 . ASP 36 36 4989 1 . LEU 37 37 4989 1 . GLY 38 38 4989 1 . ALA 39 39 4989 1 . ASP 40 40 4989 1 . SER 41 41 4989 1 . LEU 42 42 4989 1 . ASP 43 43 4989 1 . VAL 44 44 4989 1 . VAL 45 45 4989 1 . GLU 46 46 4989 1 . LEU 47 47 4989 1 . VAL 48 48 4989 1 . MET 49 49 4989 1 . GLU 50 50 4989 1 . LEU 51 51 4989 1 . GLU 52 52 4989 1 . ASP 53 53 4989 1 . GLU 54 54 4989 1 . PHE 55 55 4989 1 . ASP 56 56 4989 1 . MET 57 57 4989 1 . GLU 58 58 4989 1 . ILE 59 59 4989 1 . SER 60 60 4989 1 . ASP 61 61 4989 1 . GLU 62 62 4989 1 . ASP 63 63 4989 1 . ALA 64 64 4989 1 . GLU 65 65 4989 1 . LYS 66 66 4989 1 . ILE 67 67 4989 1 . ALA 68 68 4989 1 . THR 69 69 4989 1 . VAL 70 70 4989 1 . GLY 71 71 4989 1 . ASP 72 72 4989 1 . ALA 73 73 4989 1 . VAL 74 74 4989 1 . ASN 75 75 4989 1 . TYR 76 76 4989 1 . ILE 77 77 4989 1 . GLN 78 78 4989 1 . ASN 79 79 4989 1 . GLN 80 80 4989 1 . GLN 81 81 4989 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 4989 _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_CARRIER_PROTEIN . 1423 . . 'Bacillus subtilis' 'Bacillus subtilis' . . Eubacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 4989 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 4989 _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_CARRIER_PROTEIN . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4989 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4989 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The sample is the mixture of U-15N/13C labeled holo- (60%)and apo-ACP (40%)' _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 'B. subtilis ACYL CARRIER PROTEIN' '[U-15N; U-13C]' . . 1 $ACYL_CARRIER_PROTEIN . . 1 . . mM . . . . 4989 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 4989 _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 6.4 0 n/a 4989 1 temperature 298 0 K 4989 1 'ionic strength' 3.4 . mM 4989 1 pressure 1 . atm 4989 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4989 _Software.ID 1 _Software.Name X-PLOR _Software.Version 98.0 _Software.Details 'Badger, J., Kumar, R.A., Yip, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4989 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4989 _Software.ID 2 _Software.Name NMRPipe _Software.Version '1.8, 2000' _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4989 2 stop_ save_ save_pipp _Software.Sf_category software _Software.Sf_framecode pipp _Software.Entry_ID 4989 _Software.ID 3 _Software.Name pipp _Software.Version '4.2.2, 1998' _Software.Details 'Garrett, D.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4989 3 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 4989 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITYplus _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 4989 _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 UNITYplus . 600 . . . 4989 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 4989 _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 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4989 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 4989 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_ref_1 _Chem_shift_reference.Entry_ID 4989 _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 . . . . . . . . . 4989 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4989 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4989 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 4989 _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_ref_1 _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 . 4989 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 GLY CA C 13 43.5300 . . . . . . . . . . . 4989 1 2 . 1 1 1 1 GLY HA2 H 1 4.0400 . . . . . . . . . . . 4989 1 3 . 1 1 1 1 GLY HA3 H 1 4.0400 . . . . . . . . . . . 4989 1 4 . 1 1 2 2 PRO CA C 13 63.2000 . . . . . . . . . . . 4989 1 5 . 1 1 2 2 PRO CB C 13 32.3700 . . . . . . . . . . . 4989 1 6 . 1 1 2 2 PRO CG C 13 27.0500 . . . . . . . . . . . 4989 1 7 . 1 1 2 2 PRO CD C 13 49.6300 . . . . . . . . . . . 4989 1 8 . 1 1 2 2 PRO HA H 1 4.5300 . . . . . . . . . . . 4989 1 9 . 1 1 2 2 PRO HB2 H 1 2.3178 . . . . . . . . . . . 4989 1 10 . 1 1 2 2 PRO HB3 H 1 2.3178 . . . . . . . . . . . 4989 1 11 . 1 1 2 2 PRO HG2 H 1 2.0400 . . . . . . . . . . . 4989 1 12 . 1 1 2 2 PRO HG3 H 1 2.0400 . . . . . . . . . . . 4989 1 13 . 1 1 2 2 PRO HD2 H 1 3.6200 . . . . . . . . . . . 4989 1 14 . 1 1 2 2 PRO HD3 H 1 3.6200 . . . . . . . . . . . 4989 1 15 . 1 1 3 3 LEU H H 1 8.6200 . . . . . . . . . . . 4989 1 16 . 1 1 3 3 LEU N N 15 122.6100 . . . . . . . . . . . 4989 1 17 . 1 1 3 3 LEU CA C 13 55.2500 . . . . . . . . . . . 4989 1 18 . 1 1 3 3 LEU CB C 13 42.3400 . . . . . . . . . . . 4989 1 19 . 1 1 3 3 LEU CG C 13 27.0700 . . . . . . . . . . . 4989 1 20 . 1 1 3 3 LEU CD1 C 13 25.0500 . . . . . . . . . . . 4989 1 21 . 1 1 3 3 LEU CD2 C 13 23.5000 . . . . . . . . . . . 4989 1 22 . 1 1 3 3 LEU HA H 1 4.4363 . . . . . . . . . . . 4989 1 23 . 1 1 3 3 LEU HD11 H 1 0.9565 . . . . . . . . . . . 4989 1 24 . 1 1 3 3 LEU HD12 H 1 0.9565 . . . . . . . . . . . 4989 1 25 . 1 1 3 3 LEU HD13 H 1 0.9565 . . . . . . . . . . . 4989 1 26 . 1 1 3 3 LEU HD21 H 1 0.9565 . . . . . . . . . . . 4989 1 27 . 1 1 3 3 LEU HD22 H 1 0.9565 . . . . . . . . . . . 4989 1 28 . 1 1 3 3 LEU HD23 H 1 0.9565 . . . . . . . . . . . 4989 1 29 . 1 1 3 3 LEU HB2 H 1 1.7309 . . . . . . . . . . . 4989 1 30 . 1 1 3 3 LEU HB3 H 1 1.7309 . . . . . . . . . . . 4989 1 31 . 1 1 3 3 LEU HG H 1 1.6317 . . . . . . . . . . . 4989 1 32 . 1 1 4 4 GLY H H 1 8.5200 . . . . . . . . . . . 4989 1 33 . 1 1 4 4 GLY N N 15 110.2000 . . . . . . . . . . . 4989 1 34 . 1 1 4 4 GLY CA C 13 45.2500 . . . . . . . . . . . 4989 1 35 . 1 1 4 4 GLY HA2 H 1 4.0770 . . . . . . . . . . . 4989 1 36 . 1 1 4 4 GLY HA3 H 1 4.0770 . . . . . . . . . . . 4989 1 37 . 1 1 5 5 SER H H 1 8.4000 . . . . . . . . . . . 4989 1 38 . 1 1 5 5 SER N N 15 116.8400 . . . . . . . . . . . 4989 1 39 . 1 1 5 5 SER CA C 13 59.4000 . . . . . . . . . . . 4989 1 40 . 1 1 5 5 SER CB C 13 63.3460 . . . . . . . . . . . 4989 1 41 . 1 1 5 5 SER HA H 1 4.3522 . . . . . . . . . . . 4989 1 42 . 1 1 5 5 SER HB2 H 1 3.9247 . . . . . . . . . . . 4989 1 43 . 1 1 5 5 SER HB3 H 1 3.9247 . . . . . . . . . . . 4989 1 44 . 1 1 6 6 ALA H H 1 8.4600 . . . . . . . . . . . 4989 1 45 . 1 1 6 6 ALA N N 15 126.0900 . . . . . . . . . . . 4989 1 46 . 1 1 6 6 ALA CA C 13 53.7885 . . . . . . . . . . . 4989 1 47 . 1 1 6 6 ALA CB C 13 18.8033 . . . . . . . . . . . 4989 1 48 . 1 1 6 6 ALA HA H 1 4.3491 . . . . . . . . . . . 4989 1 49 . 1 1 6 6 ALA HB1 H 1 1.4860 . . . . . . . . . . . 4989 1 50 . 1 1 6 6 ALA HB2 H 1 1.4860 . . . . . . . . . . . 4989 1 51 . 1 1 6 6 ALA HB3 H 1 1.4860 . . . . . . . . . . . 4989 1 52 . 1 1 7 7 ASP H H 1 8.2500 . . . . . . . . . . . 4989 1 53 . 1 1 7 7 ASP N N 15 119.9000 . . . . . . . . . . . 4989 1 54 . 1 1 7 7 ASP CA C 13 55.4285 . . . . . . . . . . . 4989 1 55 . 1 1 7 7 ASP CB C 13 41.4332 . . . . . . . . . . . 4989 1 56 . 1 1 7 7 ASP HA H 1 4.6202 . . . . . . . . . . . 4989 1 57 . 1 1 7 7 ASP HB2 H 1 2.8817 . . . . . . . . . . . 4989 1 58 . 1 1 7 7 ASP HB3 H 1 2.7724 . . . . . . . . . . . 4989 1 59 . 1 1 8 8 THR H H 1 8.1500 . . . . . . . . . . . 4989 1 60 . 1 1 8 8 THR N N 15 117.0800 . . . . . . . . . . . 4989 1 61 . 1 1 8 8 THR CA C 13 67.7352 . . . . . . . . . . . 4989 1 62 . 1 1 8 8 THR CB C 13 68.210 . . . . . . . . . . . 4989 1 63 . 1 1 8 8 THR CG2 C 13 23.3870 . . . . . . . . . . . 4989 1 64 . 1 1 8 8 THR HA H 1 3.9529 . . . . . . . . . . . 4989 1 65 . 1 1 8 8 THR HB H 1 4.1633 . . . . . . . . . . . 4989 1 66 . 1 1 8 8 THR HG21 H 1 1.1180 . . . . . . . . . . . 4989 1 67 . 1 1 8 8 THR HG22 H 1 1.1180 . . . . . . . . . . . 4989 1 68 . 1 1 8 8 THR HG23 H 1 1.1180 . . . . . . . . . . . 4989 1 69 . 1 1 9 9 LEU H H 1 8.5374 . . . . . . . . . . . 4989 1 70 . 1 1 9 9 LEU N N 15 121.3981 . . . . . . . . . . . 4989 1 71 . 1 1 9 9 LEU CA C 13 58.4930 . . . . . . . . . . . 4989 1 72 . 1 1 9 9 LEU CB C 13 40.7890 . . . . . . . . . . . 4989 1 73 . 1 1 9 9 LEU CG C 13 27.2552 . . . . . . . . . . . 4989 1 74 . 1 1 9 9 LEU CD1 C 13 22.6690 . . . . . . . . . . . 4989 1 75 . 1 1 9 9 LEU CD2 C 13 25.5125 . . . . . . . . . . . 4989 1 76 . 1 1 9 9 LEU HA H 1 3.9866 . . . . . . . . . . . 4989 1 77 . 1 1 9 9 LEU HB2 H 1 1.9854 . . . . . . . . . . . 4989 1 78 . 1 1 9 9 LEU HB3 H 1 1.5600 . . . . . . . . . . . 4989 1 79 . 1 1 9 9 LEU HG H 1 1.5509 . . . . . . . . . . . 4989 1 80 . 1 1 9 9 LEU HD11 H 1 0.7700 . . . . . . . . . . . 4989 1 81 . 1 1 9 9 LEU HD12 H 1 0.7700 . . . . . . . . . . . 4989 1 82 . 1 1 9 9 LEU HD13 H 1 0.7700 . . . . . . . . . . . 4989 1 83 . 1 1 9 9 LEU HD21 H 1 0.9600 . . . . . . . . . . . 4989 1 84 . 1 1 9 9 LEU HD22 H 1 0.9600 . . . . . . . . . . . 4989 1 85 . 1 1 9 9 LEU HD23 H 1 0.9600 . . . . . . . . . . . 4989 1 86 . 1 1 10 10 GLU H H 1 8.7000 . . . . . . . . . . . 4989 1 87 . 1 1 10 10 GLU N N 15 124.1800 . . . . . . . . . . . 4989 1 88 . 1 1 10 10 GLU CA C 13 60.2906 . . . . . . . . . . . 4989 1 89 . 1 1 10 10 GLU CB C 13 29.3541 . . . . . . . . . . . 4989 1 90 . 1 1 10 10 GLU CG C 13 36.2910 . . . . . . . . . . . 4989 1 91 . 1 1 10 10 GLU HA H 1 4.0247 . . . . . . . . . . . 4989 1 92 . 1 1 10 10 GLU HB2 H 1 2.1800 . . . . . . . . . . . 4989 1 93 . 1 1 10 10 GLU HB3 H 1 2.2300 . . . . . . . . . . . 4989 1 94 . 1 1 10 10 GLU HG2 H 1 2.3100 . . . . . . . . . . . 4989 1 95 . 1 1 10 10 GLU HG3 H 1 2.4200 . . . . . . . . . . . 4989 1 96 . 1 1 11 11 ARG H H 1 8.1200 . . . . . . . . . . . 4989 1 97 . 1 1 11 11 ARG N N 15 119.7400 . . . . . . . . . . . 4989 1 98 . 1 1 11 11 ARG CA C 13 59.7246 . . . . . . . . . . . 4989 1 99 . 1 1 11 11 ARG CB C 13 32.5726 . . . . . . . . . . . 4989 1 100 . 1 1 11 11 ARG CG C 13 27.2190 . . . . . . . . . . . 4989 1 101 . 1 1 11 11 ARG CD C 13 44.6792 . . . . . . . . . . . 4989 1 102 . 1 1 11 11 ARG HA H 1 4.0843 . . . . . . . . . . . 4989 1 103 . 1 1 11 11 ARG HB2 H 1 2.0789 . . . . . . . . . . . 4989 1 104 . 1 1 11 11 ARG HB3 H 1 1.9608 . . . . . . . . . . . 4989 1 105 . 1 1 11 11 ARG HG2 H 1 1.7141 . . . . . . . . . . . 4989 1 106 . 1 1 11 11 ARG HG3 H 1 1.9800 . . . . . . . . . . . 4989 1 107 . 1 1 11 11 ARG HD2 H 1 3.3015 . . . . . . . . . . . 4989 1 108 . 1 1 11 11 ARG HD3 H 1 3.0257 . . . . . . . . . . . 4989 1 109 . 1 1 12 12 VAL H H 1 8.7900 . . . . . . . . . . . 4989 1 110 . 1 1 12 12 VAL N N 15 119.2200 . . . . . . . . . . . 4989 1 111 . 1 1 12 12 VAL CA C 13 66.9383 . . . . . . . . . . . 4989 1 112 . 1 1 12 12 VAL CB C 13 31.9191 . . . . . . . . . . . 4989 1 113 . 1 1 12 12 VAL CG1 C 13 24.3348 . . . . . . . . . . . 4989 1 114 . 1 1 12 12 VAL CG2 C 13 21.4790 . . . . . . . . . . . 4989 1 115 . 1 1 12 12 VAL HA H 1 3.6607 . . . . . . . . . . . 4989 1 116 . 1 1 12 12 VAL HB H 1 2.1885 . . . . . . . . . . . 4989 1 117 . 1 1 12 12 VAL HG11 H 1 1.1000 . . . . . . . . . . . 4989 1 118 . 1 1 12 12 VAL HG12 H 1 1.1000 . . . . . . . . . . . 4989 1 119 . 1 1 12 12 VAL HG13 H 1 1.1000 . . . . . . . . . . . 4989 1 120 . 1 1 12 12 VAL HG21 H 1 0.9500 . . . . . . . . . . . 4989 1 121 . 1 1 12 12 VAL HG22 H 1 0.9500 . . . . . . . . . . . 4989 1 122 . 1 1 12 12 VAL HG23 H 1 0.9500 . . . . . . . . . . . 4989 1 123 . 1 1 13 13 THR H H 1 8.6500 . . . . . . . . . . . 4989 1 124 . 1 1 13 13 THR N N 15 116.8600 . . . . . . . . . . . 4989 1 125 . 1 1 13 13 THR CA C 13 68.4050 . . . . . . . . . . . 4989 1 126 . 1 1 13 13 THR CB C 13 68.5100 . . . . . . . . . . . 4989 1 127 . 1 1 13 13 THR CG2 C 13 20.4200 . . . . . . . . . . . 4989 1 128 . 1 1 13 13 THR HA H 1 3.7100 . . . . . . . . . . . 4989 1 129 . 1 1 13 13 THR HB H 1 4.4300 . . . . . . . . . . . 4989 1 130 . 1 1 13 13 THR HG21 H 1 1.2508 . . . . . . . . . . . 4989 1 131 . 1 1 13 13 THR HG22 H 1 1.2508 . . . . . . . . . . . 4989 1 132 . 1 1 13 13 THR HG23 H 1 1.2508 . . . . . . . . . . . 4989 1 133 . 1 1 14 14 LYS H H 1 7.6039 . . . . . . . . . . . 4989 1 134 . 1 1 14 14 LYS N N 15 120.3407 . . . . . . . . . . . 4989 1 135 . 1 1 14 14 LYS CA C 13 59.6130 . . . . . . . . . . . 4989 1 136 . 1 1 14 14 LYS CB C 13 32.1445 . . . . . . . . . . . 4989 1 137 . 1 1 14 14 LYS CG C 13 24.7739 . . . . . . . . . . . 4989 1 138 . 1 1 14 14 LYS CD C 13 28.9239 . . . . . . . . . . . 4989 1 139 . 1 1 14 14 LYS CE C 13 42.2060 . . . . . . . . . . . 4989 1 140 . 1 1 14 14 LYS HA H 1 3.9581 . . . . . . . . . . . 4989 1 141 . 1 1 14 14 LYS HB2 H 1 1.9560 . . . . . . . . . . . 4989 1 142 . 1 1 14 14 LYS HB3 H 1 1.9560 . . . . . . . . . . . 4989 1 143 . 1 1 14 14 LYS HG2 H 1 1.4525 . . . . . . . . . . . 4989 1 144 . 1 1 14 14 LYS HG3 H 1 1.5800 . . . . . . . . . . . 4989 1 145 . 1 1 14 14 LYS HD2 H 1 1.6565 . . . . . . . . . . . 4989 1 146 . 1 1 14 14 LYS HD3 H 1 1.6565 . . . . . . . . . . . 4989 1 147 . 1 1 14 14 LYS HE2 H 1 3.0046 . . . . . . . . . . . 4989 1 148 . 1 1 14 14 LYS HE3 H 1 3.0046 . . . . . . . . . . . 4989 1 149 . 1 1 15 15 ILE H H 1 7.1800 . . . . . . . . . . . 4989 1 150 . 1 1 15 15 ILE N N 15 118.4300 . . . . . . . . . . . 4989 1 151 . 1 1 15 15 ILE CA C 13 64.5400 . . . . . . . . . . . 4989 1 152 . 1 1 15 15 ILE CB C 13 38.4500 . . . . . . . . . . . 4989 1 153 . 1 1 15 15 ILE CG1 C 13 29.5214 . . . . . . . . . . . 4989 1 154 . 1 1 15 15 ILE CG2 C 13 17.1736 . . . . . . . . . . . 4989 1 155 . 1 1 15 15 ILE CD1 C 13 14.1182 . . . . . . . . . . . 4989 1 156 . 1 1 15 15 ILE HA H 1 3.8757 . . . . . . . . . . . 4989 1 157 . 1 1 15 15 ILE HB H 1 2.0135 . . . . . . . . . . . 4989 1 158 . 1 1 15 15 ILE HG12 H 1 1.8000 . . . . . . . . . . . 4989 1 159 . 1 1 15 15 ILE HG13 H 1 1.3100 . . . . . . . . . . . 4989 1 160 . 1 1 15 15 ILE HG21 H 1 0.8900 . . . . . . . . . . . 4989 1 161 . 1 1 15 15 ILE HG22 H 1 0.8900 . . . . . . . . . . . 4989 1 162 . 1 1 15 15 ILE HG23 H 1 0.8900 . . . . . . . . . . . 4989 1 163 . 1 1 15 15 ILE HD11 H 1 0.8800 . . . . . . . . . . . 4989 1 164 . 1 1 15 15 ILE HD12 H 1 0.8800 . . . . . . . . . . . 4989 1 165 . 1 1 15 15 ILE HD13 H 1 0.8800 . . . . . . . . . . . 4989 1 166 . 1 1 16 16 ILE H H 1 8.1627 . . . . . . . . . . . 4989 1 167 . 1 1 16 16 ILE N N 15 120.1274 . . . . . . . . . . . 4989 1 168 . 1 1 16 16 ILE CA C 13 66.1900 . . . . . . . . . . . 4989 1 169 . 1 1 16 16 ILE CB C 13 38.0900 . . . . . . . . . . . 4989 1 170 . 1 1 16 16 ILE CG1 C 13 30.0393 . . . . . . . . . . . 4989 1 171 . 1 1 16 16 ILE CG2 C 13 18.6231 . . . . . . . . . . . 4989 1 172 . 1 1 16 16 ILE CD1 C 13 16.6970 . . . . . . . . . . . 4989 1 173 . 1 1 16 16 ILE HA H 1 3.4970 . . . . . . . . . . . 4989 1 174 . 1 1 16 16 ILE HB H 1 2.0413 . . . . . . . . . . . 4989 1 175 . 1 1 16 16 ILE HG12 H 1 2.0900 . . . . . . . . . . . 4989 1 176 . 1 1 16 16 ILE HG13 H 1 1.0400 . . . . . . . . . . . 4989 1 177 . 1 1 16 16 ILE HG21 H 1 0.9100 . . . . . . . . . . . 4989 1 178 . 1 1 16 16 ILE HG22 H 1 0.9100 . . . . . . . . . . . 4989 1 179 . 1 1 16 16 ILE HG23 H 1 0.9100 . . . . . . . . . . . 4989 1 180 . 1 1 16 16 ILE HD11 H 1 0.9155 . . . . . . . . . . . 4989 1 181 . 1 1 16 16 ILE HD12 H 1 0.9155 . . . . . . . . . . . 4989 1 182 . 1 1 16 16 ILE HD13 H 1 0.9155 . . . . . . . . . . . 4989 1 183 . 1 1 17 17 VAL H H 1 8.7870 . . . . . . . . . . . 4989 1 184 . 1 1 17 17 VAL N N 15 120.9983 . . . . . . . . . . . 4989 1 185 . 1 1 17 17 VAL CA C 13 66.8968 . . . . . . . . . . . 4989 1 186 . 1 1 17 17 VAL CB C 13 32.0926 . . . . . . . . . . . 4989 1 187 . 1 1 17 17 VAL CG1 C 13 20.5609 . . . . . . . . . . . 4989 1 188 . 1 1 17 17 VAL CG2 C 13 22.5660 . . . . . . . . . . . 4989 1 189 . 1 1 17 17 VAL HA H 1 3.5299 . . . . . . . . . . . 4989 1 190 . 1 1 17 17 VAL HB H 1 2.1953 . . . . . . . . . . . 4989 1 191 . 1 1 17 17 VAL HG11 H 1 1.0865 . . . . . . . . . . . 4989 1 192 . 1 1 17 17 VAL HG12 H 1 1.0865 . . . . . . . . . . . 4989 1 193 . 1 1 17 17 VAL HG13 H 1 1.0865 . . . . . . . . . . . 4989 1 194 . 1 1 17 17 VAL HG21 H 1 0.9876 . . . . . . . . . . . 4989 1 195 . 1 1 17 17 VAL HG22 H 1 0.9876 . . . . . . . . . . . 4989 1 196 . 1 1 17 17 VAL HG23 H 1 0.9876 . . . . . . . . . . . 4989 1 197 . 1 1 18 18 ASP H H 1 8.1600 . . . . . . . . . . . 4989 1 198 . 1 1 18 18 ASP N N 15 119.4400 . . . . . . . . . . . 4989 1 199 . 1 1 18 18 ASP CA C 13 57.1600 . . . . . . . . . . . 4989 1 200 . 1 1 18 18 ASP CB C 13 40.8400 . . . . . . . . . . . 4989 1 201 . 1 1 18 18 ASP HA H 1 4.4033 . . . . . . . . . . . 4989 1 202 . 1 1 18 18 ASP HB2 H 1 2.8353 . . . . . . . . . . . 4989 1 203 . 1 1 18 18 ASP HB3 H 1 2.6861 . . . . . . . . . . . 4989 1 204 . 1 1 19 19 ARG H H 1 8.3200 . . . . . . . . . . . 4989 1 205 . 1 1 19 19 ARG N N 15 116.4000 . . . . . . . . . . . 4989 1 206 . 1 1 19 19 ARG CA C 13 57.4000 . . . . . . . . . . . 4989 1 207 . 1 1 19 19 ARG CB C 13 30.4258 . . . . . . . . . . . 4989 1 208 . 1 1 19 19 ARG CG C 13 26.6580 . . . . . . . . . . . 4989 1 209 . 1 1 19 19 ARG CD C 13 42.0691 . . . . . . . . . . . 4989 1 210 . 1 1 19 19 ARG HA H 1 4.3434 . . . . . . . . . . . 4989 1 211 . 1 1 19 19 ARG HB2 H 1 2.0615 . . . . . . . . . . . 4989 1 212 . 1 1 19 19 ARG HB3 H 1 1.8969 . . . . . . . . . . . 4989 1 213 . 1 1 19 19 ARG HG2 H 1 1.5687 . . . . . . . . . . . 4989 1 214 . 1 1 19 19 ARG HG3 H 1 1.6605 . . . . . . . . . . . 4989 1 215 . 1 1 19 19 ARG HD2 H 1 3.2000 . . . . . . . . . . . 4989 1 216 . 1 1 19 19 ARG HD3 H 1 3.3000 . . . . . . . . . . . 4989 1 217 . 1 1 20 20 LEU H H 1 8.7400 . . . . . . . . . . . 4989 1 218 . 1 1 20 20 LEU N N 15 114.5500 . . . . . . . . . . . 4989 1 219 . 1 1 20 20 LEU CA C 13 54.6100 . . . . . . . . . . . 4989 1 220 . 1 1 20 20 LEU CB C 13 42.3000 . . . . . . . . . . . 4989 1 221 . 1 1 20 20 LEU CG C 13 26.7210 . . . . . . . . . . . 4989 1 222 . 1 1 20 20 LEU CD1 C 13 22.2021 . . . . . . . . . . . 4989 1 223 . 1 1 20 20 LEU CD2 C 13 22.2021 . . . . . . . . . . . 4989 1 224 . 1 1 20 20 LEU HA H 1 4.6180 . . . . . . . . . . . 4989 1 225 . 1 1 20 20 LEU HB2 H 1 1.9902 . . . . . . . . . . . 4989 1 226 . 1 1 20 20 LEU HB3 H 1 1.7580 . . . . . . . . . . . 4989 1 227 . 1 1 20 20 LEU HD11 H 1 0.8227 . . . . . . . . . . . 4989 1 228 . 1 1 20 20 LEU HD12 H 1 0.8227 . . . . . . . . . . . 4989 1 229 . 1 1 20 20 LEU HD13 H 1 0.8227 . . . . . . . . . . . 4989 1 230 . 1 1 20 20 LEU HD21 H 1 0.9935 . . . . . . . . . . . 4989 1 231 . 1 1 20 20 LEU HD22 H 1 0.9935 . . . . . . . . . . . 4989 1 232 . 1 1 20 20 LEU HD23 H 1 0.9935 . . . . . . . . . . . 4989 1 233 . 1 1 21 21 GLY H H 1 8.0400 . . . . . . . . . . . 4989 1 234 . 1 1 21 21 GLY N N 15 108.9600 . . . . . . . . . . . 4989 1 235 . 1 1 21 21 GLY CA C 13 47.0084 . . . . . . . . . . . 4989 1 236 . 1 1 21 21 GLY HA2 H 1 4.0624 . . . . . . . . . . . 4989 1 237 . 1 1 21 21 GLY HA3 H 1 3.9487 . . . . . . . . . . . 4989 1 238 . 1 1 22 22 VAL H H 1 6.4000 . . . . . . . . . . . 4989 1 239 . 1 1 22 22 VAL N N 15 109.4500 . . . . . . . . . . . 4989 1 240 . 1 1 22 22 VAL CA C 13 58.8975 . . . . . . . . . . . 4989 1 241 . 1 1 22 22 VAL CB C 13 32.6744 . . . . . . . . . . . 4989 1 242 . 1 1 22 22 VAL CG1 C 13 19.4285 . . . . . . . . . . . 4989 1 243 . 1 1 22 22 VAL CG2 C 13 22.4646 . . . . . . . . . . . 4989 1 244 . 1 1 22 22 VAL HA H 1 4.4320 . . . . . . . . . . . 4989 1 245 . 1 1 22 22 VAL HB H 1 2.4872 . . . . . . . . . . . 4989 1 246 . 1 1 22 22 VAL HG11 H 1 0.6950 . . . . . . . . . . . 4989 1 247 . 1 1 22 22 VAL HG12 H 1 0.6950 . . . . . . . . . . . 4989 1 248 . 1 1 22 22 VAL HG13 H 1 0.6950 . . . . . . . . . . . 4989 1 249 . 1 1 22 22 VAL HG21 H 1 0.9700 . . . . . . . . . . . 4989 1 250 . 1 1 22 22 VAL HG22 H 1 0.9700 . . . . . . . . . . . 4989 1 251 . 1 1 22 22 VAL HG23 H 1 0.9700 . . . . . . . . . . . 4989 1 252 . 1 1 23 23 ASP H H 1 8.5635 . . . . . . . . . . . 4989 1 253 . 1 1 23 23 ASP N N 15 121.1378 . . . . . . . . . . . 4989 1 254 . 1 1 23 23 ASP CA C 13 53.9500 . . . . . . . . . . . 4989 1 255 . 1 1 23 23 ASP CB C 13 42.5500 . . . . . . . . . . . 4989 1 256 . 1 1 23 23 ASP HA H 1 4.5844 . . . . . . . . . . . 4989 1 257 . 1 1 23 23 ASP HB2 H 1 2.5682 . . . . . . . . . . . 4989 1 258 . 1 1 23 23 ASP HB3 H 1 2.6697 . . . . . . . . . . . 4989 1 259 . 1 1 24 24 GLU H H 1 8.9600 . . . . . . . . . . . 4989 1 260 . 1 1 24 24 GLU N N 15 125.6200 . . . . . . . . . . . 4989 1 261 . 1 1 24 24 GLU CA C 13 60.2381 . . . . . . . . . . . 4989 1 262 . 1 1 24 24 GLU CB C 13 29.2443 . . . . . . . . . . . 4989 1 263 . 1 1 24 24 GLU CG C 13 36.2356 . . . . . . . . . . . 4989 1 264 . 1 1 24 24 GLU HA H 1 3.6353 . . . . . . . . . . . 4989 1 265 . 1 1 24 24 GLU HB2 H 1 2.0245 . . . . . . . . . . . 4989 1 266 . 1 1 24 24 GLU HB3 H 1 1.9800 . . . . . . . . . . . 4989 1 267 . 1 1 24 24 GLU HG2 H 1 2.2585 . . . . . . . . . . . 4989 1 268 . 1 1 24 24 GLU HG3 H 1 2.2585 . . . . . . . . . . . 4989 1 269 . 1 1 25 25 ALA H H 1 8.7104 . . . . . . . . . . . 4989 1 270 . 1 1 25 25 ALA N N 15 120.2743 . . . . . . . . . . . 4989 1 271 . 1 1 25 25 ALA CA C 13 53.9615 . . . . . . . . . . . 4989 1 272 . 1 1 25 25 ALA CB C 13 18.5750 . . . . . . . . . . . 4989 1 273 . 1 1 25 25 ALA HA H 1 4.0690 . . . . . . . . . . . 4989 1 274 . 1 1 25 25 ALA HB1 H 1 1.3773 . . . . . . . . . . . 4989 1 275 . 1 1 25 25 ALA HB2 H 1 1.3773 . . . . . . . . . . . 4989 1 276 . 1 1 25 25 ALA HB3 H 1 1.3773 . . . . . . . . . . . 4989 1 277 . 1 1 26 26 ASP H H 1 7.7552 . . . . . . . . . . . 4989 1 278 . 1 1 26 26 ASP N N 15 114.9379 . . . . . . . . . . . 4989 1 279 . 1 1 26 26 ASP CA C 13 54.8256 . . . . . . . . . . . 4989 1 280 . 1 1 26 26 ASP CB C 13 40.9824 . . . . . . . . . . . 4989 1 281 . 1 1 26 26 ASP HA H 1 4.5786 . . . . . . . . . . . 4989 1 282 . 1 1 26 26 ASP HB2 H 1 2.6869 . . . . . . . . . . . 4989 1 283 . 1 1 26 26 ASP HB3 H 1 2.6869 . . . . . . . . . . . 4989 1 284 . 1 1 27 27 VAL H H 1 7.6000 . . . . . . . . . . . 4989 1 285 . 1 1 27 27 VAL N N 15 121.5400 . . . . . . . . . . . 4989 1 286 . 1 1 27 27 VAL CA C 13 63.8477 . . . . . . . . . . . 4989 1 287 . 1 1 27 27 VAL CB C 13 29.2863 . . . . . . . . . . . 4989 1 288 . 1 1 27 27 VAL CG1 C 13 24.0204 . . . . . . . . . . . 4989 1 289 . 1 1 27 27 VAL CG2 C 13 22.3278 . . . . . . . . . . . 4989 1 290 . 1 1 27 27 VAL HA H 1 3.5340 . . . . . . . . . . . 4989 1 291 . 1 1 27 27 VAL HB H 1 2.3698 . . . . . . . . . . . 4989 1 292 . 1 1 27 27 VAL HG11 H 1 0.9300 . . . . . . . . . . . 4989 1 293 . 1 1 27 27 VAL HG12 H 1 0.9300 . . . . . . . . . . . 4989 1 294 . 1 1 27 27 VAL HG13 H 1 0.9300 . . . . . . . . . . . 4989 1 295 . 1 1 27 27 VAL HG21 H 1 0.8800 . . . . . . . . . . . 4989 1 296 . 1 1 27 27 VAL HG22 H 1 0.8800 . . . . . . . . . . . 4989 1 297 . 1 1 27 27 VAL HG23 H 1 0.8800 . . . . . . . . . . . 4989 1 298 . 1 1 28 28 LYS H H 1 6.7100 . . . . . . . . . . . 4989 1 299 . 1 1 28 28 LYS N N 15 125.2300 . . . . . . . . . . . 4989 1 300 . 1 1 28 28 LYS CA C 13 53.4424 . . . . . . . . . . . 4989 1 301 . 1 1 28 28 LYS CB C 13 35.2857 . . . . . . . . . . . 4989 1 302 . 1 1 28 28 LYS CG C 13 24.5975 . . . . . . . . . . . 4989 1 303 . 1 1 28 28 LYS CD C 13 29.0238 . . . . . . . . . . . 4989 1 304 . 1 1 28 28 LYS CE C 13 42.2352 . . . . . . . . . . . 4989 1 305 . 1 1 28 28 LYS HA H 1 4.6457 . . . . . . . . . . . 4989 1 306 . 1 1 28 28 LYS HB2 H 1 2.1148 . . . . . . . . . . . 4989 1 307 . 1 1 28 28 LYS HB3 H 1 1.4828 . . . . . . . . . . . 4989 1 308 . 1 1 28 28 LYS HG2 H 1 1.3000 . . . . . . . . . . . 4989 1 309 . 1 1 28 28 LYS HG3 H 1 1.3800 . . . . . . . . . . . 4989 1 310 . 1 1 28 28 LYS HD2 H 1 1.7100 . . . . . . . . . . . 4989 1 311 . 1 1 28 28 LYS HD3 H 1 1.7100 . . . . . . . . . . . 4989 1 312 . 1 1 28 28 LYS HE2 H 1 3.0251 . . . . . . . . . . . 4989 1 313 . 1 1 28 28 LYS HE3 H 1 3.0251 . . . . . . . . . . . 4989 1 314 . 1 1 29 29 LEU H H 1 8.8133 . . . . . . . . . . . 4989 1 315 . 1 1 29 29 LEU N N 15 121.3330 . . . . . . . . . . . 4989 1 316 . 1 1 29 29 LEU CA C 13 58.0785 . . . . . . . . . . . 4989 1 317 . 1 1 29 29 LEU CB C 13 41.2714 . . . . . . . . . . . 4989 1 318 . 1 1 29 29 LEU CG C 13 26.9730 . . . . . . . . . . . 4989 1 319 . 1 1 29 29 LEU CD1 C 13 23.0091 . . . . . . . . . . . 4989 1 320 . 1 1 29 29 LEU CD2 C 13 25.2563 . . . . . . . . . . . 4989 1 321 . 1 1 29 29 LEU HA H 1 3.6800 . . . . . . . . . . . 4989 1 322 . 1 1 29 29 LEU HB2 H 1 1.8000 . . . . . . . . . . . 4989 1 323 . 1 1 29 29 LEU HB3 H 1 1.4200 . . . . . . . . . . . 4989 1 324 . 1 1 29 29 LEU HG H 1 1.8300 . . . . . . . . . . . 4989 1 325 . 1 1 29 29 LEU HD11 H 1 0.8500 . . . . . . . . . . . 4989 1 326 . 1 1 29 29 LEU HD12 H 1 0.8500 . . . . . . . . . . . 4989 1 327 . 1 1 29 29 LEU HD13 H 1 0.8500 . . . . . . . . . . . 4989 1 328 . 1 1 29 29 LEU HD21 H 1 0.9600 . . . . . . . . . . . 4989 1 329 . 1 1 29 29 LEU HD22 H 1 0.9600 . . . . . . . . . . . 4989 1 330 . 1 1 29 29 LEU HD23 H 1 0.9600 . . . . . . . . . . . 4989 1 331 . 1 1 30 30 GLU H H 1 9.0400 . . . . . . . . . . . 4989 1 332 . 1 1 30 30 GLU N N 15 114.2600 . . . . . . . . . . . 4989 1 333 . 1 1 30 30 GLU CA C 13 56.7800 . . . . . . . . . . . 4989 1 334 . 1 1 30 30 GLU CB C 13 28.8120 . . . . . . . . . . . 4989 1 335 . 1 1 30 30 GLU CG C 13 36.0469 . . . . . . . . . . . 4989 1 336 . 1 1 30 30 GLU HA H 1 4.1964 . . . . . . . . . . . 4989 1 337 . 1 1 30 30 GLU HB2 H 1 2.0000 . . . . . . . . . . . 4989 1 338 . 1 1 30 30 GLU HB3 H 1 2.0800 . . . . . . . . . . . 4989 1 339 . 1 1 30 30 GLU HG2 H 1 2.2500 . . . . . . . . . . . 4989 1 340 . 1 1 30 30 GLU HG3 H 1 2.2500 . . . . . . . . . . . 4989 1 341 . 1 1 31 31 ALA H H 1 7.6900 . . . . . . . . . . . 4989 1 342 . 1 1 31 31 ALA N N 15 123.1000 . . . . . . . . . . . 4989 1 343 . 1 1 31 31 ALA CA C 13 52.2181 . . . . . . . . . . . 4989 1 344 . 1 1 31 31 ALA CB C 13 18.7904 . . . . . . . . . . . 4989 1 345 . 1 1 31 31 ALA HA H 1 4.3491 . . . . . . . . . . . 4989 1 346 . 1 1 31 31 ALA HB1 H 1 1.4044 . . . . . . . . . . . 4989 1 347 . 1 1 31 31 ALA HB2 H 1 1.4044 . . . . . . . . . . . 4989 1 348 . 1 1 31 31 ALA HB3 H 1 1.4044 . . . . . . . . . . . 4989 1 349 . 1 1 32 32 SER H H 1 10.0100 . . . . . . . . . . . 4989 1 350 . 1 1 32 32 SER N N 15 118.5700 . . . . . . . . . . . 4989 1 351 . 1 1 32 32 SER CA C 13 55.9287 . . . . . . . . . . . 4989 1 352 . 1 1 32 32 SER CB C 13 63.5943 . . . . . . . . . . . 4989 1 353 . 1 1 32 32 SER HA H 1 4.7630 . . . . . . . . . . . 4989 1 354 . 1 1 32 32 SER HB2 H 1 3.9156 . . . . . . . . . . . 4989 1 355 . 1 1 32 32 SER HB3 H 1 4.0782 . . . . . . . . . . . 4989 1 356 . 1 1 33 33 PHE H H 1 8.2233 . . . . . . . . . . . 4989 1 357 . 1 1 33 33 PHE N N 15 125.9693 . . . . . . . . . . . 4989 1 358 . 1 1 33 33 PHE CA C 13 61.9737 . . . . . . . . . . . 4989 1 359 . 1 1 33 33 PHE CB C 13 38.2329 . . . . . . . . . . . 4989 1 360 . 1 1 33 33 PHE CD1 C 13 130.7500 . . . . . . . . . . . 4989 1 361 . 1 1 33 33 PHE CE1 C 13 127.7200 . . . . . . . . . . . 4989 1 362 . 1 1 33 33 PHE HA H 1 4.1367 . . . . . . . . . . . 4989 1 363 . 1 1 33 33 PHE HB2 H 1 2.8759 . . . . . . . . . . . 4989 1 364 . 1 1 33 33 PHE HB3 H 1 2.9881 . . . . . . . . . . . 4989 1 365 . 1 1 33 33 PHE HD1 H 1 6.9700 . . . . . . . . . . . 4989 1 366 . 1 1 33 33 PHE HD2 H 1 6.9700 . . . . . . . . . . . 4989 1 367 . 1 1 33 33 PHE HE1 H 1 6.7800 . . . . . . . . . . . 4989 1 368 . 1 1 33 33 PHE HE2 H 1 6.7800 . . . . . . . . . . . 4989 1 369 . 1 1 34 34 LYS H H 1 8.7200 . . . . . . . . . . . 4989 1 370 . 1 1 34 34 LYS N N 15 115.8600 . . . . . . . . . . . 4989 1 371 . 1 1 34 34 LYS CA C 13 58.4806 . . . . . . . . . . . 4989 1 372 . 1 1 34 34 LYS CB C 13 33.0113 . . . . . . . . . . . 4989 1 373 . 1 1 34 34 LYS CG C 13 25.1185 . . . . . . . . . . . 4989 1 374 . 1 1 34 34 LYS CD C 13 29.4451 . . . . . . . . . . . 4989 1 375 . 1 1 34 34 LYS CE C 13 41.9547 . . . . . . . . . . . 4989 1 376 . 1 1 34 34 LYS HA H 1 4.7572 . . . . . . . . . . . 4989 1 377 . 1 1 34 34 LYS HB2 H 1 1.8320 . . . . . . . . . . . 4989 1 378 . 1 1 34 34 LYS HB3 H 1 1.8320 . . . . . . . . . . . 4989 1 379 . 1 1 34 34 LYS HG2 H 1 1.5489 . . . . . . . . . . . 4989 1 380 . 1 1 34 34 LYS HG3 H 1 1.3000 . . . . . . . . . . . 4989 1 381 . 1 1 34 34 LYS HD2 H 1 1.7400 . . . . . . . . . . . 4989 1 382 . 1 1 34 34 LYS HD3 H 1 1.7400 . . . . . . . . . . . 4989 1 383 . 1 1 34 34 LYS HE2 H 1 2.9542 . . . . . . . . . . . 4989 1 384 . 1 1 34 34 LYS HE3 H 1 2.9542 . . . . . . . . . . . 4989 1 385 . 1 1 35 35 GLU H H 1 8.1800 . . . . . . . . . . . 4989 1 386 . 1 1 35 35 GLU N N 15 115.5900 . . . . . . . . . . . 4989 1 387 . 1 1 35 35 GLU CA C 13 59.3800 . . . . . . . . . . . 4989 1 388 . 1 1 35 35 GLU CB C 13 29.7610 . . . . . . . . . . . 4989 1 389 . 1 1 35 35 GLU CG C 13 36.8294 . . . . . . . . . . . 4989 1 390 . 1 1 35 35 GLU HA H 1 4.2049 . . . . . . . . . . . 4989 1 391 . 1 1 35 35 GLU HB2 H 1 2.0786 . . . . . . . . . . . 4989 1 392 . 1 1 35 35 GLU HB3 H 1 1.9079 . . . . . . . . . . . 4989 1 393 . 1 1 35 35 GLU HG2 H 1 2.3278 . . . . . . . . . . . 4989 1 394 . 1 1 35 35 GLU HG3 H 1 2.3278 . . . . . . . . . . . 4989 1 395 . 1 1 36 36 ASP H H 1 7.8700 . . . . . . . . . . . 4989 1 396 . 1 1 36 36 ASP N N 15 114.8400 . . . . . . . . . . . 4989 1 397 . 1 1 36 36 ASP CA C 13 56.2510 . . . . . . . . . . . 4989 1 398 . 1 1 36 36 ASP CB C 13 42.0997 . . . . . . . . . . . 4989 1 399 . 1 1 36 36 ASP HA H 1 4.9900 . . . . . . . . . . . 4989 1 400 . 1 1 36 36 ASP HB2 H 1 2.7740 . . . . . . . . . . . 4989 1 401 . 1 1 36 36 ASP HB3 H 1 3.1416 . . . . . . . . . . . 4989 1 402 . 1 1 37 37 LEU H H 1 7.3700 . . . . . . . . . . . 4989 1 403 . 1 1 37 37 LEU N N 15 115.5900 . . . . . . . . . . . 4989 1 404 . 1 1 37 37 LEU CA C 13 54.3359 . . . . . . . . . . . 4989 1 405 . 1 1 37 37 LEU CB C 13 41.4647 . . . . . . . . . . . 4989 1 406 . 1 1 37 37 LEU CG C 13 26.4600 . . . . . . . . . . . 4989 1 407 . 1 1 37 37 LEU CD1 C 13 22.4000 . . . . . . . . . . . 4989 1 408 . 1 1 37 37 LEU CD2 C 13 26.2900 . . . . . . . . . . . 4989 1 409 . 1 1 37 37 LEU HA H 1 4.5850 . . . . . . . . . . . 4989 1 410 . 1 1 37 37 LEU HB2 H 1 2.3229 . . . . . . . . . . . 4989 1 411 . 1 1 37 37 LEU HB3 H 1 1.7106 . . . . . . . . . . . 4989 1 412 . 1 1 37 37 LEU HG H 1 1.5200 . . . . . . . . . . . 4989 1 413 . 1 1 37 37 LEU HD11 H 1 0.7450 . . . . . . . . . . . 4989 1 414 . 1 1 37 37 LEU HD12 H 1 0.7450 . . . . . . . . . . . 4989 1 415 . 1 1 37 37 LEU HD13 H 1 0.7450 . . . . . . . . . . . 4989 1 416 . 1 1 37 37 LEU HD21 H 1 0.6900 . . . . . . . . . . . 4989 1 417 . 1 1 37 37 LEU HD22 H 1 0.6900 . . . . . . . . . . . 4989 1 418 . 1 1 37 37 LEU HD23 H 1 0.6900 . . . . . . . . . . . 4989 1 419 . 1 1 38 38 GLY H H 1 7.2600 . . . . . . . . . . . 4989 1 420 . 1 1 38 38 GLY N N 15 105.8600 . . . . . . . . . . . 4989 1 421 . 1 1 38 38 GLY CA C 13 46.4980 . . . . . . . . . . . 4989 1 422 . 1 1 38 38 GLY HA2 H 1 3.8674 . . . . . . . . . . . 4989 1 423 . 1 1 38 38 GLY HA3 H 1 3.9528 . . . . . . . . . . . 4989 1 424 . 1 1 39 39 ALA H H 1 8.4600 . . . . . . . . . . . 4989 1 425 . 1 1 39 39 ALA N N 15 123.3500 . . . . . . . . . . . 4989 1 426 . 1 1 39 39 ALA CA C 13 51.4851 . . . . . . . . . . . 4989 1 427 . 1 1 39 39 ALA CB C 13 20.5511 . . . . . . . . . . . 4989 1 428 . 1 1 39 39 ALA HA H 1 4.5962 . . . . . . . . . . . 4989 1 429 . 1 1 39 39 ALA HB1 H 1 1.2508 . . . . . . . . . . . 4989 1 430 . 1 1 39 39 ALA HB2 H 1 1.2508 . . . . . . . . . . . 4989 1 431 . 1 1 39 39 ALA HB3 H 1 1.2508 . . . . . . . . . . . 4989 1 432 . 1 1 40 40 ASP H H 1 9.2400 . . . . . . . . . . . 4989 1 433 . 1 1 40 40 ASP N N 15 122.5100 . . . . . . . . . . . 4989 1 434 . 1 1 40 40 ASP CA C 13 52.1307 . . . . . . . . . . . 4989 1 435 . 1 1 40 40 ASP CB C 13 41.8246 . . . . . . . . . . . 4989 1 436 . 1 1 40 40 ASP HA H 1 4.9020 . . . . . . . . . . . 4989 1 437 . 1 1 40 40 ASP HB2 H 1 3.1981 . . . . . . . . . . . 4989 1 438 . 1 1 40 40 ASP HB3 H 1 2.8247 . . . . . . . . . . . 4989 1 439 . 1 1 41 41 SER H H 1 8.7600 . . . . . . . . . . . 4989 1 440 . 1 1 41 41 SER N N 15 112.7300 . . . . . . . . . . . 4989 1 441 . 1 1 41 41 SER CA C 13 60.9389 . . . . . . . . . . . 4989 1 442 . 1 1 41 41 SER CB C 13 65.5145 . . . . . . . . . . . 4989 1 443 . 1 1 41 41 SER HA H 1 4.1796 . . . . . . . . . . . 4989 1 444 . 1 1 41 41 SER HB2 H 1 4.1280 . . . . . . . . . . . 4989 1 445 . 1 1 41 41 SER HB3 H 1 4.1280 . . . . . . . . . . . 4989 1 446 . 1 1 42 42 LEU H H 1 7.9900 . . . . . . . . . . . 4989 1 447 . 1 1 42 42 LEU N N 15 124.4100 . . . . . . . . . . . 4989 1 448 . 1 1 42 42 LEU CA C 13 57.6143 . . . . . . . . . . . 4989 1 449 . 1 1 42 42 LEU CB C 13 40.8533 . . . . . . . . . . . 4989 1 450 . 1 1 42 42 LEU CG C 13 27.1738 . . . . . . . . . . . 4989 1 451 . 1 1 42 42 LEU CD1 C 13 24.1673 . . . . . . . . . . . 4989 1 452 . 1 1 42 42 LEU CD2 C 13 24.3700 . . . . . . . . . . . 4989 1 453 . 1 1 42 42 LEU HA H 1 4.1987 . . . . . . . . . . . 4989 1 454 . 1 1 42 42 LEU HB2 H 1 1.7690 . . . . . . . . . . . 4989 1 455 . 1 1 42 42 LEU HB3 H 1 1.7690 . . . . . . . . . . . 4989 1 456 . 1 1 42 42 LEU HG H 1 1.6600 . . . . . . . . . . . 4989 1 457 . 1 1 42 42 LEU HD11 H 1 0.9407 . . . . . . . . . . . 4989 1 458 . 1 1 42 42 LEU HD12 H 1 0.9407 . . . . . . . . . . . 4989 1 459 . 1 1 42 42 LEU HD13 H 1 0.9407 . . . . . . . . . . . 4989 1 460 . 1 1 42 42 LEU HD21 H 1 0.9000 . . . . . . . . . . . 4989 1 461 . 1 1 42 42 LEU HD22 H 1 0.9000 . . . . . . . . . . . 4989 1 462 . 1 1 42 42 LEU HD23 H 1 0.9000 . . . . . . . . . . . 4989 1 463 . 1 1 43 43 ASP H H 1 8.3455 . . . . . . . . . . . 4989 1 464 . 1 1 43 43 ASP N N 15 119.9904 . . . . . . . . . . . 4989 1 465 . 1 1 43 43 ASP CA C 13 57.4600 . . . . . . . . . . . 4989 1 466 . 1 1 43 43 ASP CB C 13 41.6700 . . . . . . . . . . . 4989 1 467 . 1 1 43 43 ASP HA H 1 4.3200 . . . . . . . . . . . 4989 1 468 . 1 1 43 43 ASP HB2 H 1 2.3300 . . . . . . . . . . . 4989 1 469 . 1 1 43 43 ASP HB3 H 1 3.1500 . . . . . . . . . . . 4989 1 470 . 1 1 44 44 VAL H H 1 7.8100 . . . . . . . . . . . 4989 1 471 . 1 1 44 44 VAL N N 15 117.5100 . . . . . . . . . . . 4989 1 472 . 1 1 44 44 VAL CA C 13 67.3524 . . . . . . . . . . . 4989 1 473 . 1 1 44 44 VAL CB C 13 31.1756 . . . . . . . . . . . 4989 1 474 . 1 1 44 44 VAL CG1 C 13 23.1085 . . . . . . . . . . . 4989 1 475 . 1 1 44 44 VAL CG2 C 13 21.4147 . . . . . . . . . . . 4989 1 476 . 1 1 44 44 VAL HA H 1 3.3027 . . . . . . . . . . . 4989 1 477 . 1 1 44 44 VAL HB H 1 2.1159 . . . . . . . . . . . 4989 1 478 . 1 1 44 44 VAL HG11 H 1 0.8653 . . . . . . . . . . . 4989 1 479 . 1 1 44 44 VAL HG12 H 1 0.8653 . . . . . . . . . . . 4989 1 480 . 1 1 44 44 VAL HG13 H 1 0.8653 . . . . . . . . . . . 4989 1 481 . 1 1 44 44 VAL HG21 H 1 0.8100 . . . . . . . . . . . 4989 1 482 . 1 1 44 44 VAL HG22 H 1 0.8100 . . . . . . . . . . . 4989 1 483 . 1 1 44 44 VAL HG23 H 1 0.8100 . . . . . . . . . . . 4989 1 484 . 1 1 45 45 VAL H H 1 7.4000 . . . . . . . . . . . 4989 1 485 . 1 1 45 45 VAL N N 15 119.8000 . . . . . . . . . . . 4989 1 486 . 1 1 45 45 VAL CA C 13 66.5814 . . . . . . . . . . . 4989 1 487 . 1 1 45 45 VAL CB C 13 31.7889 . . . . . . . . . . . 4989 1 488 . 1 1 45 45 VAL CG1 C 13 22.9102 . . . . . . . . . . . 4989 1 489 . 1 1 45 45 VAL CG2 C 13 21.1243 . . . . . . . . . . . 4989 1 490 . 1 1 45 45 VAL HA H 1 3.5869 . . . . . . . . . . . 4989 1 491 . 1 1 45 45 VAL HB H 1 2.2681 . . . . . . . . . . . 4989 1 492 . 1 1 45 45 VAL HG11 H 1 1.1219 . . . . . . . . . . . 4989 1 493 . 1 1 45 45 VAL HG12 H 1 1.1219 . . . . . . . . . . . 4989 1 494 . 1 1 45 45 VAL HG13 H 1 1.1219 . . . . . . . . . . . 4989 1 495 . 1 1 45 45 VAL HG21 H 1 1.0167 . . . . . . . . . . . 4989 1 496 . 1 1 45 45 VAL HG22 H 1 1.0167 . . . . . . . . . . . 4989 1 497 . 1 1 45 45 VAL HG23 H 1 1.0167 . . . . . . . . . . . 4989 1 498 . 1 1 46 46 GLU H H 1 7.9600 . . . . . . . . . . . 4989 1 499 . 1 1 46 46 GLU N N 15 118.7100 . . . . . . . . . . . 4989 1 500 . 1 1 46 46 GLU CA C 13 59.3822 . . . . . . . . . . . 4989 1 501 . 1 1 46 46 GLU CB C 13 28.8964 . . . . . . . . . . . 4989 1 502 . 1 1 46 46 GLU CG C 13 36.3286 . . . . . . . . . . . 4989 1 503 . 1 1 46 46 GLU HA H 1 4.0812 . . . . . . . . . . . 4989 1 504 . 1 1 46 46 GLU HB2 H 1 2.0800 . . . . . . . . . . . 4989 1 505 . 1 1 46 46 GLU HB3 H 1 2.0800 . . . . . . . . . . . 4989 1 506 . 1 1 46 46 GLU HG2 H 1 2.5189 . . . . . . . . . . . 4989 1 507 . 1 1 46 46 GLU HG3 H 1 2.2700 . . . . . . . . . . . 4989 1 508 . 1 1 47 47 LEU H H 1 8.5000 . . . . . . . . . . . 4989 1 509 . 1 1 47 47 LEU N N 15 121.9700 . . . . . . . . . . . 4989 1 510 . 1 1 47 47 LEU CA C 13 58.3224 . . . . . . . . . . . 4989 1 511 . 1 1 47 47 LEU CB C 13 41.9720 . . . . . . . . . . . 4989 1 512 . 1 1 47 47 LEU CG C 13 27.0072 . . . . . . . . . . . 4989 1 513 . 1 1 47 47 LEU CD1 C 13 25.3810 . . . . . . . . . . . 4989 1 514 . 1 1 47 47 LEU CD2 C 13 25.3810 . . . . . . . . . . . 4989 1 515 . 1 1 47 47 LEU HA H 1 3.8922 . . . . . . . . . . . 4989 1 516 . 1 1 47 47 LEU HB2 H 1 1.6805 . . . . . . . . . . . 4989 1 517 . 1 1 47 47 LEU HB3 H 1 1.5149 . . . . . . . . . . . 4989 1 518 . 1 1 47 47 LEU HG H 1 1.5600 . . . . . . . . . . . 4989 1 519 . 1 1 47 47 LEU HD11 H 1 0.5404 . . . . . . . . . . . 4989 1 520 . 1 1 47 47 LEU HD12 H 1 0.5404 . . . . . . . . . . . 4989 1 521 . 1 1 47 47 LEU HD13 H 1 0.5404 . . . . . . . . . . . 4989 1 522 . 1 1 47 47 LEU HD21 H 1 0.4900 . . . . . . . . . . . 4989 1 523 . 1 1 47 47 LEU HD22 H 1 0.4900 . . . . . . . . . . . 4989 1 524 . 1 1 47 47 LEU HD23 H 1 0.4900 . . . . . . . . . . . 4989 1 525 . 1 1 48 48 VAL H H 1 8.4621 . . . . . . . . . . . 4989 1 526 . 1 1 48 48 VAL N N 15 119.9763 . . . . . . . . . . . 4989 1 527 . 1 1 48 48 VAL CA C 13 67.7089 . . . . . . . . . . . 4989 1 528 . 1 1 48 48 VAL CB C 13 30.9822 . . . . . . . . . . . 4989 1 529 . 1 1 48 48 VAL CG1 C 13 23.1656 . . . . . . . . . . . 4989 1 530 . 1 1 48 48 VAL CG2 C 13 21.7771 . . . . . . . . . . . 4989 1 531 . 1 1 48 48 VAL HA H 1 3.3715 . . . . . . . . . . . 4989 1 532 . 1 1 48 48 VAL HB H 1 2.2236 . . . . . . . . . . . 4989 1 533 . 1 1 48 48 VAL HG11 H 1 0.9200 . . . . . . . . . . . 4989 1 534 . 1 1 48 48 VAL HG12 H 1 0.9200 . . . . . . . . . . . 4989 1 535 . 1 1 48 48 VAL HG13 H 1 0.9200 . . . . . . . . . . . 4989 1 536 . 1 1 48 48 VAL HG21 H 1 0.8200 . . . . . . . . . . . 4989 1 537 . 1 1 48 48 VAL HG22 H 1 0.8200 . . . . . . . . . . . 4989 1 538 . 1 1 48 48 VAL HG23 H 1 0.8200 . . . . . . . . . . . 4989 1 539 . 1 1 49 49 MET H H 1 7.7613 . . . . . . . . . . . 4989 1 540 . 1 1 49 49 MET N N 15 118.3709 . . . . . . . . . . . 4989 1 541 . 1 1 49 49 MET CA C 13 59.2503 . . . . . . . . . . . 4989 1 542 . 1 1 49 49 MET CB C 13 32.8491 . . . . . . . . . . . 4989 1 543 . 1 1 49 49 MET CG C 13 32.3337 . . . . . . . . . . . 4989 1 544 . 1 1 49 49 MET CE C 13 16.9800 . . . . . . . . . . . 4989 1 545 . 1 1 49 49 MET HA H 1 4.4569 . . . . . . . . . . . 4989 1 546 . 1 1 49 49 MET HB2 H 1 2.2610 . . . . . . . . . . . 4989 1 547 . 1 1 49 49 MET HB3 H 1 2.2610 . . . . . . . . . . . 4989 1 548 . 1 1 49 49 MET HG2 H 1 2.8200 . . . . . . . . . . . 4989 1 549 . 1 1 49 49 MET HG3 H 1 2.6100 . . . . . . . . . . . 4989 1 550 . 1 1 49 49 MET HE1 H 1 2.1200 . . . . . . . . . . . 4989 1 551 . 1 1 49 49 MET HE2 H 1 2.1200 . . . . . . . . . . . 4989 1 552 . 1 1 49 49 MET HE3 H 1 2.1200 . . . . . . . . . . . 4989 1 553 . 1 1 50 50 GLU H H 1 8.0700 . . . . . . . . . . . 4989 1 554 . 1 1 50 50 GLU N N 15 120.0500 . . . . . . . . . . . 4989 1 555 . 1 1 50 50 GLU CA C 13 59.6273 . . . . . . . . . . . 4989 1 556 . 1 1 50 50 GLU CB C 13 29.1870 . . . . . . . . . . . 4989 1 557 . 1 1 50 50 GLU CG C 13 35.9909 . . . . . . . . . . . 4989 1 558 . 1 1 50 50 GLU HA H 1 4.2785 . . . . . . . . . . . 4989 1 559 . 1 1 50 50 GLU HB2 H 1 2.2545 . . . . . . . . . . . 4989 1 560 . 1 1 50 50 GLU HB3 H 1 2.1605 . . . . . . . . . . . 4989 1 561 . 1 1 50 50 GLU HG2 H 1 2.4245 . . . . . . . . . . . 4989 1 562 . 1 1 50 50 GLU HG3 H 1 2.5200 . . . . . . . . . . . 4989 1 563 . 1 1 51 51 LEU H H 1 8.6500 . . . . . . . . . . . 4989 1 564 . 1 1 51 51 LEU N N 15 121.3800 . . . . . . . . . . . 4989 1 565 . 1 1 51 51 LEU CA C 13 58.4227 . . . . . . . . . . . 4989 1 566 . 1 1 51 51 LEU CB C 13 41.3227 . . . . . . . . . . . 4989 1 567 . 1 1 51 51 LEU CG C 13 26.2046 . . . . . . . . . . . 4989 1 568 . 1 1 51 51 LEU CD1 C 13 24.1527 . . . . . . . . . . . 4989 1 569 . 1 1 51 51 LEU CD2 C 13 24.9277 . . . . . . . . . . . 4989 1 570 . 1 1 51 51 LEU HA H 1 4.2027 . . . . . . . . . . . 4989 1 571 . 1 1 51 51 LEU HB2 H 1 2.3200 . . . . . . . . . . . 4989 1 572 . 1 1 51 51 LEU HB3 H 1 1.3600 . . . . . . . . . . . 4989 1 573 . 1 1 51 51 LEU HG H 1 0.9800 . . . . . . . . . . . 4989 1 574 . 1 1 51 51 LEU HD11 H 1 1.0264 . . . . . . . . . . . 4989 1 575 . 1 1 51 51 LEU HD12 H 1 1.0264 . . . . . . . . . . . 4989 1 576 . 1 1 51 51 LEU HD13 H 1 1.0264 . . . . . . . . . . . 4989 1 577 . 1 1 51 51 LEU HD21 H 1 0.7700 . . . . . . . . . . . 4989 1 578 . 1 1 51 51 LEU HD22 H 1 0.7700 . . . . . . . . . . . 4989 1 579 . 1 1 51 51 LEU HD23 H 1 0.7700 . . . . . . . . . . . 4989 1 580 . 1 1 52 52 GLU H H 1 8.5500 . . . . . . . . . . . 4989 1 581 . 1 1 52 52 GLU N N 15 119.0600 . . . . . . . . . . . 4989 1 582 . 1 1 52 52 GLU CA C 13 60.1410 . . . . . . . . . . . 4989 1 583 . 1 1 52 52 GLU CB C 13 30.1427 . . . . . . . . . . . 4989 1 584 . 1 1 52 52 GLU CG C 13 37.1136 . . . . . . . . . . . 4989 1 585 . 1 1 52 52 GLU HA H 1 3.9667 . . . . . . . . . . . 4989 1 586 . 1 1 52 52 GLU HB2 H 1 2.2300 . . . . . . . . . . . 4989 1 587 . 1 1 52 52 GLU HB3 H 1 2.5800 . . . . . . . . . . . 4989 1 588 . 1 1 52 52 GLU HG2 H 1 2.8000 . . . . . . . . . . . 4989 1 589 . 1 1 52 52 GLU HG3 H 1 2.2100 . . . . . . . . . . . 4989 1 590 . 1 1 53 53 ASP H H 1 7.6284 . . . . . . . . . . . 4989 1 591 . 1 1 53 53 ASP N N 15 117.4887 . . . . . . . . . . . 4989 1 592 . 1 1 53 53 ASP CA C 13 56.5762 . . . . . . . . . . . 4989 1 593 . 1 1 53 53 ASP CB C 13 41.2471 . . . . . . . . . . . 4989 1 594 . 1 1 53 53 ASP HA H 1 4.5681 . . . . . . . . . . . 4989 1 595 . 1 1 53 53 ASP HB2 H 1 2.8267 . . . . . . . . . . . 4989 1 596 . 1 1 53 53 ASP HB3 H 1 2.8267 . . . . . . . . . . . 4989 1 597 . 1 1 54 54 GLU H H 1 8.4700 . . . . . . . . . . . 4989 1 598 . 1 1 54 54 GLU N N 15 120.4500 . . . . . . . . . . . 4989 1 599 . 1 1 54 54 GLU CA C 13 58.1193 . . . . . . . . . . . 4989 1 600 . 1 1 54 54 GLU CB C 13 29.4366 . . . . . . . . . . . 4989 1 601 . 1 1 54 54 GLU CG C 13 34.6928 . . . . . . . . . . . 4989 1 602 . 1 1 54 54 GLU HA H 1 4.0107 . . . . . . . . . . . 4989 1 603 . 1 1 54 54 GLU HB2 H 1 2.1200 . . . . . . . . . . . 4989 1 604 . 1 1 54 54 GLU HB3 H 1 1.7049 . . . . . . . . . . . 4989 1 605 . 1 1 54 54 GLU HG2 H 1 1.8900 . . . . . . . . . . . 4989 1 606 . 1 1 54 54 GLU HG3 H 1 0.9928 . . . . . . . . . . . 4989 1 607 . 1 1 55 55 PHE H H 1 8.0600 . . . . . . . . . . . 4989 1 608 . 1 1 55 55 PHE N N 15 112.7100 . . . . . . . . . . . 4989 1 609 . 1 1 55 55 PHE CA C 13 58.4982 . . . . . . . . . . . 4989 1 610 . 1 1 55 55 PHE CB C 13 38.7773 . . . . . . . . . . . 4989 1 611 . 1 1 55 55 PHE CD1 C 13 132.4400 . . . . . . . . . . . 4989 1 612 . 1 1 55 55 PHE CE1 C 13 130.1300 . . . . . . . . . . . 4989 1 613 . 1 1 55 55 PHE HA H 1 4.4932 . . . . . . . . . . . 4989 1 614 . 1 1 55 55 PHE HB2 H 1 3.4188 . . . . . . . . . . . 4989 1 615 . 1 1 55 55 PHE HB3 H 1 2.7690 . . . . . . . . . . . 4989 1 616 . 1 1 55 55 PHE HD1 H 1 7.5800 . . . . . . . . . . . 4989 1 617 . 1 1 55 55 PHE HD2 H 1 7.5800 . . . . . . . . . . . 4989 1 618 . 1 1 55 55 PHE HE1 H 1 7.1800 . . . . . . . . . . . 4989 1 619 . 1 1 55 55 PHE HE2 H 1 7.1800 . . . . . . . . . . . 4989 1 620 . 1 1 56 56 ASP H H 1 7.7864 . . . . . . . . . . . 4989 1 621 . 1 1 56 56 ASP N N 15 121.7356 . . . . . . . . . . . 4989 1 622 . 1 1 56 56 ASP CA C 13 54.8934 . . . . . . . . . . . 4989 1 623 . 1 1 56 56 ASP CB C 13 38.9500 . . . . . . . . . . . 4989 1 624 . 1 1 56 56 ASP HA H 1 4.4690 . . . . . . . . . . . 4989 1 625 . 1 1 56 56 ASP HB2 H 1 3.1510 . . . . . . . . . . . 4989 1 626 . 1 1 56 56 ASP HB3 H 1 2.5310 . . . . . . . . . . . 4989 1 627 . 1 1 57 57 MET H H 1 8.4500 . . . . . . . . . . . 4989 1 628 . 1 1 57 57 MET N N 15 115.6500 . . . . . . . . . . . 4989 1 629 . 1 1 57 57 MET CA C 13 54.0768 . . . . . . . . . . . 4989 1 630 . 1 1 57 57 MET CB C 13 36.3670 . . . . . . . . . . . 4989 1 631 . 1 1 57 57 MET CG C 13 31.2293 . . . . . . . . . . . 4989 1 632 . 1 1 57 57 MET CE C 13 17.4600 . . . . . . . . . . . 4989 1 633 . 1 1 57 57 MET HA H 1 4.8938 . . . . . . . . . . . 4989 1 634 . 1 1 57 57 MET HB2 H 1 2.0900 . . . . . . . . . . . 4989 1 635 . 1 1 57 57 MET HB3 H 1 1.9500 . . . . . . . . . . . 4989 1 636 . 1 1 57 57 MET HG2 H 1 2.4842 . . . . . . . . . . . 4989 1 637 . 1 1 57 57 MET HG3 H 1 2.3380 . . . . . . . . . . . 4989 1 638 . 1 1 57 57 MET HE1 H 1 2.0000 . . . . . . . . . . . 4989 1 639 . 1 1 57 57 MET HE2 H 1 2.0000 . . . . . . . . . . . 4989 1 640 . 1 1 57 57 MET HE3 H 1 2.0000 . . . . . . . . . . . 4989 1 641 . 1 1 58 58 GLU H H 1 8.3645 . . . . . . . . . . . 4989 1 642 . 1 1 58 58 GLU N N 15 120.2770 . . . . . . . . . . . 4989 1 643 . 1 1 58 58 GLU CA C 13 55.1955 . . . . . . . . . . . 4989 1 644 . 1 1 58 58 GLU CB C 13 31.5860 . . . . . . . . . . . 4989 1 645 . 1 1 58 58 GLU CG C 13 36.1564 . . . . . . . . . . . 4989 1 646 . 1 1 58 58 GLU HA H 1 4.6500 . . . . . . . . . . . 4989 1 647 . 1 1 58 58 GLU HB2 H 1 2.1193 . . . . . . . . . . . 4989 1 648 . 1 1 58 58 GLU HB3 H 1 2.2074 . . . . . . . . . . . 4989 1 649 . 1 1 58 58 GLU HG2 H 1 1.9013 . . . . . . . . . . . 4989 1 650 . 1 1 58 58 GLU HG3 H 1 1.9013 . . . . . . . . . . . 4989 1 651 . 1 1 59 59 ILE H H 1 9.5600 . . . . . . . . . . . 4989 1 652 . 1 1 59 59 ILE N N 15 127.8600 . . . . . . . . . . . 4989 1 653 . 1 1 59 59 ILE CA C 13 60.7349 . . . . . . . . . . . 4989 1 654 . 1 1 59 59 ILE CB C 13 38.5086 . . . . . . . . . . . 4989 1 655 . 1 1 59 59 ILE CG1 C 13 27.4838 . . . . . . . . . . . 4989 1 656 . 1 1 59 59 ILE CG2 C 13 16.0969 . . . . . . . . . . . 4989 1 657 . 1 1 59 59 ILE CD1 C 13 12.5051 . . . . . . . . . . . 4989 1 658 . 1 1 59 59 ILE HA H 1 4.2891 . . . . . . . . . . . 4989 1 659 . 1 1 59 59 ILE HB H 1 1.5583 . . . . . . . . . . . 4989 1 660 . 1 1 59 59 ILE HG12 H 1 1.5000 . . . . . . . . . . . 4989 1 661 . 1 1 59 59 ILE HG13 H 1 0.9600 . . . . . . . . . . . 4989 1 662 . 1 1 59 59 ILE HG21 H 1 0.5700 . . . . . . . . . . . 4989 1 663 . 1 1 59 59 ILE HG22 H 1 0.5700 . . . . . . . . . . . 4989 1 664 . 1 1 59 59 ILE HG23 H 1 0.5700 . . . . . . . . . . . 4989 1 665 . 1 1 59 59 ILE HD11 H 1 0.5830 . . . . . . . . . . . 4989 1 666 . 1 1 59 59 ILE HD12 H 1 0.5830 . . . . . . . . . . . 4989 1 667 . 1 1 59 59 ILE HD13 H 1 0.5830 . . . . . . . . . . . 4989 1 668 . 1 1 60 60 SER H H 1 9.0500 . . . . . . . . . . . 4989 1 669 . 1 1 60 60 SER N N 15 125.4900 . . . . . . . . . . . 4989 1 670 . 1 1 60 60 SER CA C 13 57.9456 . . . . . . . . . . . 4989 1 671 . 1 1 60 60 SER CB C 13 64.4839 . . . . . . . . . . . 4989 1 672 . 1 1 60 60 SER HA H 1 4.4000 . . . . . . . . . . . 4989 1 673 . 1 1 60 60 SER HB2 H 1 4.3000 . . . . . . . . . . . 4989 1 674 . 1 1 60 60 SER HB3 H 1 4.0900 . . . . . . . . . . . 4989 1 675 . 1 1 61 61 ASP H H 1 8.8600 . . . . . . . . . . . 4989 1 676 . 1 1 61 61 ASP N N 15 122.7500 . . . . . . . . . . . 4989 1 677 . 1 1 61 61 ASP CA C 13 57.7270 . . . . . . . . . . . 4989 1 678 . 1 1 61 61 ASP CB C 13 39.7000 . . . . . . . . . . . 4989 1 679 . 1 1 61 61 ASP HA H 1 4.3084 . . . . . . . . . . . 4989 1 680 . 1 1 61 61 ASP HB2 H 1 2.7206 . . . . . . . . . . . 4989 1 681 . 1 1 61 61 ASP HB3 H 1 2.6110 . . . . . . . . . . . 4989 1 682 . 1 1 62 62 GLU H H 1 8.5800 . . . . . . . . . . . 4989 1 683 . 1 1 62 62 GLU N N 15 118.5700 . . . . . . . . . . . 4989 1 684 . 1 1 62 62 GLU CA C 13 59.3360 . . . . . . . . . . . 4989 1 685 . 1 1 62 62 GLU CB C 13 29.2075 . . . . . . . . . . . 4989 1 686 . 1 1 62 62 GLU CG C 13 36.5248 . . . . . . . . . . . 4989 1 687 . 1 1 62 62 GLU HA H 1 4.0198 . . . . . . . . . . . 4989 1 688 . 1 1 62 62 GLU HB2 H 1 1.9606 . . . . . . . . . . . 4989 1 689 . 1 1 62 62 GLU HB3 H 1 1.9606 . . . . . . . . . . . 4989 1 690 . 1 1 62 62 GLU HG2 H 1 2.3009 . . . . . . . . . . . 4989 1 691 . 1 1 62 62 GLU HG3 H 1 2.3009 . . . . . . . . . . . 4989 1 692 . 1 1 63 63 ASP H H 1 7.6649 . . . . . . . . . . . 4989 1 693 . 1 1 63 63 ASP N N 15 120.2465 . . . . . . . . . . . 4989 1 694 . 1 1 63 63 ASP CA C 13 56.6600 . . . . . . . . . . . 4989 1 695 . 1 1 63 63 ASP CB C 13 40.0926 . . . . . . . . . . . 4989 1 696 . 1 1 63 63 ASP HA H 1 4.4435 . . . . . . . . . . . 4989 1 697 . 1 1 63 63 ASP HB2 H 1 2.7022 . . . . . . . . . . . 4989 1 698 . 1 1 63 63 ASP HB3 H 1 2.2713 . . . . . . . . . . . 4989 1 699 . 1 1 64 64 ALA H H 1 8.6172 . . . . . . . . . . . 4989 1 700 . 1 1 64 64 ALA N N 15 123.3045 . . . . . . . . . . . 4989 1 701 . 1 1 64 64 ALA CA C 13 54.9506 . . . . . . . . . . . 4989 1 702 . 1 1 64 64 ALA CB C 13 18.2274 . . . . . . . . . . . 4989 1 703 . 1 1 64 64 ALA HA H 1 3.6719 . . . . . . . . . . . 4989 1 704 . 1 1 64 64 ALA HB1 H 1 1.3933 . . . . . . . . . . . 4989 1 705 . 1 1 64 64 ALA HB2 H 1 1.3933 . . . . . . . . . . . 4989 1 706 . 1 1 64 64 ALA HB3 H 1 1.3933 . . . . . . . . . . . 4989 1 707 . 1 1 65 65 GLU H H 1 7.4900 . . . . . . . . . . . 4989 1 708 . 1 1 65 65 GLU N N 15 115.3200 . . . . . . . . . . . 4989 1 709 . 1 1 65 65 GLU CA C 13 57.9956 . . . . . . . . . . . 4989 1 710 . 1 1 65 65 GLU CB C 13 29.6806 . . . . . . . . . . . 4989 1 711 . 1 1 65 65 GLU CG C 13 36.0403 . . . . . . . . . . . 4989 1 712 . 1 1 65 65 GLU HA H 1 4.0250 . . . . . . . . . . . 4989 1 713 . 1 1 65 65 GLU HB2 H 1 2.0862 . . . . . . . . . . . 4989 1 714 . 1 1 65 65 GLU HB3 H 1 2.0862 . . . . . . . . . . . 4989 1 715 . 1 1 65 65 GLU HG2 H 1 2.3482 . . . . . . . . . . . 4989 1 716 . 1 1 65 65 GLU HG3 H 1 2.4254 . . . . . . . . . . . 4989 1 717 . 1 1 66 66 LYS H H 1 7.1900 . . . . . . . . . . . 4989 1 718 . 1 1 66 66 LYS N N 15 115.6200 . . . . . . . . . . . 4989 1 719 . 1 1 66 66 LYS CA C 13 55.8446 . . . . . . . . . . . 4989 1 720 . 1 1 66 66 LYS CB C 13 32.7785 . . . . . . . . . . . 4989 1 721 . 1 1 66 66 LYS CG C 13 25.1594 . . . . . . . . . . . 4989 1 722 . 1 1 66 66 LYS CD C 13 29.3103 . . . . . . . . . . . 4989 1 723 . 1 1 66 66 LYS CE C 13 42.2884 . . . . . . . . . . . 4989 1 724 . 1 1 66 66 LYS HA H 1 4.3166 . . . . . . . . . . . 4989 1 725 . 1 1 66 66 LYS HB2 H 1 2.1055 . . . . . . . . . . . 4989 1 726 . 1 1 66 66 LYS HB3 H 1 1.8855 . . . . . . . . . . . 4989 1 727 . 1 1 66 66 LYS HG2 H 1 1.6802 . . . . . . . . . . . 4989 1 728 . 1 1 66 66 LYS HG3 H 1 1.7000 . . . . . . . . . . . 4989 1 729 . 1 1 66 66 LYS HD2 H 1 1.4872 . . . . . . . . . . . 4989 1 730 . 1 1 66 66 LYS HD3 H 1 1.4872 . . . . . . . . . . . 4989 1 731 . 1 1 66 66 LYS HE2 H 1 3.0407 . . . . . . . . . . . 4989 1 732 . 1 1 66 66 LYS HE3 H 1 3.0407 . . . . . . . . . . . 4989 1 733 . 1 1 67 67 ILE H H 1 7.3100 . . . . . . . . . . . 4989 1 734 . 1 1 67 67 ILE N N 15 121.6100 . . . . . . . . . . . 4989 1 735 . 1 1 67 67 ILE CA C 13 61.8550 . . . . . . . . . . . 4989 1 736 . 1 1 67 67 ILE CB C 13 36.7340 . . . . . . . . . . . 4989 1 737 . 1 1 67 67 ILE CG1 C 13 27.5037 . . . . . . . . . . . 4989 1 738 . 1 1 67 67 ILE CG2 C 13 17.3997 . . . . . . . . . . . 4989 1 739 . 1 1 67 67 ILE CD1 C 13 12.2600 . . . . . . . . . . . 4989 1 740 . 1 1 67 67 ILE HA H 1 3.9587 . . . . . . . . . . . 4989 1 741 . 1 1 67 67 ILE HB H 1 1.9630 . . . . . . . . . . . 4989 1 742 . 1 1 67 67 ILE HG12 H 1 1.6966 . . . . . . . . . . . 4989 1 743 . 1 1 67 67 ILE HG13 H 1 0.7500 . . . . . . . . . . . 4989 1 744 . 1 1 67 67 ILE HG21 H 1 0.8826 . . . . . . . . . . . 4989 1 745 . 1 1 67 67 ILE HG22 H 1 0.8826 . . . . . . . . . . . 4989 1 746 . 1 1 67 67 ILE HG23 H 1 0.8826 . . . . . . . . . . . 4989 1 747 . 1 1 67 67 ILE HD11 H 1 0.4184 . . . . . . . . . . . 4989 1 748 . 1 1 67 67 ILE HD12 H 1 0.4184 . . . . . . . . . . . 4989 1 749 . 1 1 67 67 ILE HD13 H 1 0.4184 . . . . . . . . . . . 4989 1 750 . 1 1 68 68 ALA H H 1 9.0700 . . . . . . . . . . . 4989 1 751 . 1 1 68 68 ALA N N 15 130.8100 . . . . . . . . . . . 4989 1 752 . 1 1 68 68 ALA CA C 13 52.8011 . . . . . . . . . . . 4989 1 753 . 1 1 68 68 ALA CB C 13 21.5856 . . . . . . . . . . . 4989 1 754 . 1 1 68 68 ALA HA H 1 4.8220 . . . . . . . . . . . 4989 1 755 . 1 1 68 68 ALA HB1 H 1 1.6000 . . . . . . . . . . . 4989 1 756 . 1 1 68 68 ALA HB2 H 1 1.6000 . . . . . . . . . . . 4989 1 757 . 1 1 68 68 ALA HB3 H 1 1.6000 . . . . . . . . . . . 4989 1 758 . 1 1 69 69 THR H H 1 8.4300 . . . . . . . . . . . 4989 1 759 . 1 1 69 69 THR N N 15 110.2500 . . . . . . . . . . . 4989 1 760 . 1 1 69 69 THR CA C 13 58.1844 . . . . . . . . . . . 4989 1 761 . 1 1 69 69 THR CB C 13 73.5000 . . . . . . . . . . . 4989 1 762 . 1 1 69 69 THR CG2 C 13 21.2065 . . . . . . . . . . . 4989 1 763 . 1 1 69 69 THR HA H 1 5.0110 . . . . . . . . . . . 4989 1 764 . 1 1 69 69 THR HB H 1 4.2780 . . . . . . . . . . . 4989 1 765 . 1 1 69 69 THR HG21 H 1 1.0070 . . . . . . . . . . . 4989 1 766 . 1 1 69 69 THR HG22 H 1 1.0070 . . . . . . . . . . . 4989 1 767 . 1 1 69 69 THR HG23 H 1 1.0070 . . . . . . . . . . . 4989 1 768 . 1 1 70 70 VAL H H 1 7.9468 . . . . . . . . . . . 4989 1 769 . 1 1 70 70 VAL N N 15 120.6196 . . . . . . . . . . . 4989 1 770 . 1 1 70 70 VAL CA C 13 66.6823 . . . . . . . . . . . 4989 1 771 . 1 1 70 70 VAL CB C 13 31.4222 . . . . . . . . . . . 4989 1 772 . 1 1 70 70 VAL CG1 C 13 23.1125 . . . . . . . . . . . 4989 1 773 . 1 1 70 70 VAL CG2 C 13 20.3657 . . . . . . . . . . . 4989 1 774 . 1 1 70 70 VAL HA H 1 3.2987 . . . . . . . . . . . 4989 1 775 . 1 1 70 70 VAL HB H 1 2.4422 . . . . . . . . . . . 4989 1 776 . 1 1 70 70 VAL HG11 H 1 0.7921 . . . . . . . . . . . 4989 1 777 . 1 1 70 70 VAL HG12 H 1 0.7921 . . . . . . . . . . . 4989 1 778 . 1 1 70 70 VAL HG13 H 1 0.7921 . . . . . . . . . . . 4989 1 779 . 1 1 70 70 VAL HG21 H 1 0.5854 . . . . . . . . . . . 4989 1 780 . 1 1 70 70 VAL HG22 H 1 0.5854 . . . . . . . . . . . 4989 1 781 . 1 1 70 70 VAL HG23 H 1 0.5854 . . . . . . . . . . . 4989 1 782 . 1 1 71 71 GLY H H 1 9.3800 . . . . . . . . . . . 4989 1 783 . 1 1 71 71 GLY N N 15 107.7600 . . . . . . . . . . . 4989 1 784 . 1 1 71 71 GLY CA C 13 47.4230 . . . . . . . . . . . 4989 1 785 . 1 1 71 71 GLY HA2 H 1 3.6930 . . . . . . . . . . . 4989 1 786 . 1 1 71 71 GLY HA3 H 1 3.8946 . . . . . . . . . . . 4989 1 787 . 1 1 72 72 ASP H H 1 8.2200 . . . . . . . . . . . 4989 1 788 . 1 1 72 72 ASP N N 15 122.1100 . . . . . . . . . . . 4989 1 789 . 1 1 72 72 ASP CA C 13 57.2803 . . . . . . . . . . . 4989 1 790 . 1 1 72 72 ASP CB C 13 41.8680 . . . . . . . . . . . 4989 1 791 . 1 1 72 72 ASP HA H 1 4.5089 . . . . . . . . . . . 4989 1 792 . 1 1 72 72 ASP HB2 H 1 2.8687 . . . . . . . . . . . 4989 1 793 . 1 1 72 72 ASP HB3 H 1 3.2668 . . . . . . . . . . . 4989 1 794 . 1 1 73 73 ALA H H 1 7.7817 . . . . . . . . . . . 4989 1 795 . 1 1 73 73 ALA N N 15 122.8589 . . . . . . . . . . . 4989 1 796 . 1 1 73 73 ALA CA C 13 55.4620 . . . . . . . . . . . 4989 1 797 . 1 1 73 73 ALA CB C 13 16.7754 . . . . . . . . . . . 4989 1 798 . 1 1 73 73 ALA HA H 1 4.0200 . . . . . . . . . . . 4989 1 799 . 1 1 73 73 ALA HB1 H 1 1.5700 . . . . . . . . . . . 4989 1 800 . 1 1 73 73 ALA HB2 H 1 1.5700 . . . . . . . . . . . 4989 1 801 . 1 1 73 73 ALA HB3 H 1 1.5700 . . . . . . . . . . . 4989 1 802 . 1 1 74 74 VAL H H 1 8.3000 . . . . . . . . . . . 4989 1 803 . 1 1 74 74 VAL N N 15 117.1200 . . . . . . . . . . . 4989 1 804 . 1 1 74 74 VAL CA C 13 66.8134 . . . . . . . . . . . 4989 1 805 . 1 1 74 74 VAL CB C 13 31.8068 . . . . . . . . . . . 4989 1 806 . 1 1 74 74 VAL CG1 C 13 23.1962 . . . . . . . . . . . 4989 1 807 . 1 1 74 74 VAL CG2 C 13 20.8322 . . . . . . . . . . . 4989 1 808 . 1 1 74 74 VAL HA H 1 3.2930 . . . . . . . . . . . 4989 1 809 . 1 1 74 74 VAL HB H 1 2.0770 . . . . . . . . . . . 4989 1 810 . 1 1 74 74 VAL HG11 H 1 0.9200 . . . . . . . . . . . 4989 1 811 . 1 1 74 74 VAL HG12 H 1 0.9200 . . . . . . . . . . . 4989 1 812 . 1 1 74 74 VAL HG13 H 1 0.9200 . . . . . . . . . . . 4989 1 813 . 1 1 74 74 VAL HG21 H 1 0.8955 . . . . . . . . . . . 4989 1 814 . 1 1 74 74 VAL HG22 H 1 0.8955 . . . . . . . . . . . 4989 1 815 . 1 1 74 74 VAL HG23 H 1 0.8955 . . . . . . . . . . . 4989 1 816 . 1 1 75 75 ASN H H 1 8.7100 . . . . . . . . . . . 4989 1 817 . 1 1 75 75 ASN N N 15 117.2600 . . . . . . . . . . . 4989 1 818 . 1 1 75 75 ASN CA C 13 55.9496 . . . . . . . . . . . 4989 1 819 . 1 1 75 75 ASN CB C 13 38.0840 . . . . . . . . . . . 4989 1 820 . 1 1 75 75 ASN HA H 1 4.3744 . . . . . . . . . . . 4989 1 821 . 1 1 75 75 ASN HB2 H 1 2.7562 . . . . . . . . . . . 4989 1 822 . 1 1 75 75 ASN HB3 H 1 2.8747 . . . . . . . . . . . 4989 1 823 . 1 1 75 75 ASN ND2 N 15 111.9500 . . . . . . . . . . . 4989 1 824 . 1 1 75 75 ASN HD21 H 1 7.5600 . . . . . . . . . . . 4989 1 825 . 1 1 75 75 ASN HD22 H 1 6.8100 . . . . . . . . . . . 4989 1 826 . 1 1 76 76 TYR H H 1 7.9519 . . . . . . . . . . . 4989 1 827 . 1 1 76 76 TYR N N 15 120.2556 . . . . . . . . . . . 4989 1 828 . 1 1 76 76 TYR CA C 13 62.1013 . . . . . . . . . . . 4989 1 829 . 1 1 76 76 TYR CB C 13 38.1900 . . . . . . . . . . . 4989 1 830 . 1 1 76 76 TYR CD1 C 13 132.3000 . . . . . . . . . . . 4989 1 831 . 1 1 76 76 TYR CE1 C 13 118.2000 . . . . . . . . . . . 4989 1 832 . 1 1 76 76 TYR HA H 1 4.0052 . . . . . . . . . . . 4989 1 833 . 1 1 76 76 TYR HB2 H 1 3.0828 . . . . . . . . . . . 4989 1 834 . 1 1 76 76 TYR HB3 H 1 3.0828 . . . . . . . . . . . 4989 1 835 . 1 1 76 76 TYR HD1 H 1 6.9200 . . . . . . . . . . . 4989 1 836 . 1 1 76 76 TYR HD2 H 1 6.9200 . . . . . . . . . . . 4989 1 837 . 1 1 76 76 TYR HE1 H 1 6.7300 . . . . . . . . . . . 4989 1 838 . 1 1 76 76 TYR HE2 H 1 6.7300 . . . . . . . . . . . 4989 1 839 . 1 1 77 77 ILE H H 1 7.8600 . . . . . . . . . . . 4989 1 840 . 1 1 77 77 ILE N N 15 119.0300 . . . . . . . . . . . 4989 1 841 . 1 1 77 77 ILE CA C 13 64.5374 . . . . . . . . . . . 4989 1 842 . 1 1 77 77 ILE CB C 13 38.1800 . . . . . . . . . . . 4989 1 843 . 1 1 77 77 ILE CG1 C 13 28.8876 . . . . . . . . . . . 4989 1 844 . 1 1 77 77 ILE CG2 C 13 17.4149 . . . . . . . . . . . 4989 1 845 . 1 1 77 77 ILE CD1 C 13 14.0131 . . . . . . . . . . . 4989 1 846 . 1 1 77 77 ILE HA H 1 3.3770 . . . . . . . . . . . 4989 1 847 . 1 1 77 77 ILE HB H 1 1.5290 . . . . . . . . . . . 4989 1 848 . 1 1 77 77 ILE HG12 H 1 1.5300 . . . . . . . . . . . 4989 1 849 . 1 1 77 77 ILE HG13 H 1 0.8300 . . . . . . . . . . . 4989 1 850 . 1 1 77 77 ILE HG21 H 1 0.1800 . . . . . . . . . . . 4989 1 851 . 1 1 77 77 ILE HG22 H 1 0.1800 . . . . . . . . . . . 4989 1 852 . 1 1 77 77 ILE HG23 H 1 0.1800 . . . . . . . . . . . 4989 1 853 . 1 1 77 77 ILE HD11 H 1 0.2000 . . . . . . . . . . . 4989 1 854 . 1 1 77 77 ILE HD12 H 1 0.2000 . . . . . . . . . . . 4989 1 855 . 1 1 77 77 ILE HD13 H 1 0.2000 . . . . . . . . . . . 4989 1 856 . 1 1 78 78 GLN H H 1 8.3600 . . . . . . . . . . . 4989 1 857 . 1 1 78 78 GLN N N 15 117.0800 . . . . . . . . . . . 4989 1 858 . 1 1 78 78 GLN CA C 13 58.0560 . . . . . . . . . . . 4989 1 859 . 1 1 78 78 GLN CB C 13 29.0270 . . . . . . . . . . . 4989 1 860 . 1 1 78 78 GLN CG C 13 34.8047 . . . . . . . . . . . 4989 1 861 . 1 1 78 78 GLN HA H 1 4.0290 . . . . . . . . . . . 4989 1 862 . 1 1 78 78 GLN HB2 H 1 2.1300 . . . . . . . . . . . 4989 1 863 . 1 1 78 78 GLN HB3 H 1 2.0800 . . . . . . . . . . . 4989 1 864 . 1 1 78 78 GLN HG2 H 1 2.5300 . . . . . . . . . . . 4989 1 865 . 1 1 78 78 GLN HG3 H 1 2.3500 . . . . . . . . . . . 4989 1 866 . 1 1 78 78 GLN NE2 N 15 110.4100 . . . . . . . . . . . 4989 1 867 . 1 1 78 78 GLN HE21 H 1 7.3200 . . . . . . . . . . . 4989 1 868 . 1 1 78 78 GLN HE22 H 1 6.8200 . . . . . . . . . . . 4989 1 869 . 1 1 79 79 ASN H H 1 7.7704 . . . . . . . . . . . 4989 1 870 . 1 1 79 79 ASN N N 15 116.2448 . . . . . . . . . . . 4989 1 871 . 1 1 79 79 ASN CA C 13 53.9296 . . . . . . . . . . . 4989 1 872 . 1 1 79 79 ASN CB C 13 38.7038 . . . . . . . . . . . 4989 1 873 . 1 1 79 79 ASN HA H 1 4.6838 . . . . . . . . . . . 4989 1 874 . 1 1 79 79 ASN HB2 H 1 2.7695 . . . . . . . . . . . 4989 1 875 . 1 1 79 79 ASN HB3 H 1 2.7695 . . . . . . . . . . . 4989 1 876 . 1 1 79 79 ASN ND2 N 15 112.3800 . . . . . . . . . . . 4989 1 877 . 1 1 79 79 ASN HD21 H 1 7.5000 . . . . . . . . . . . 4989 1 878 . 1 1 79 79 ASN HD22 H 1 6.8100 . . . . . . . . . . . 4989 1 879 . 1 1 80 80 GLN H H 1 7.5300 . . . . . . . . . . . 4989 1 880 . 1 1 80 80 GLN N N 15 118.6100 . . . . . . . . . . . 4989 1 881 . 1 1 80 80 GLN CA C 13 55.3476 . . . . . . . . . . . 4989 1 882 . 1 1 80 80 GLN CB C 13 28.9238 . . . . . . . . . . . 4989 1 883 . 1 1 80 80 GLN CG C 13 33.4702 . . . . . . . . . . . 4989 1 884 . 1 1 80 80 GLN HA H 1 4.2820 . . . . . . . . . . . 4989 1 885 . 1 1 80 80 GLN HB2 H 1 2.2197 . . . . . . . . . . . 4989 1 886 . 1 1 80 80 GLN HB3 H 1 1.8918 . . . . . . . . . . . 4989 1 887 . 1 1 80 80 GLN HG2 H 1 2.3252 . . . . . . . . . . . 4989 1 888 . 1 1 80 80 GLN HG3 H 1 2.2300 . . . . . . . . . . . 4989 1 889 . 1 1 80 80 GLN NE2 N 15 113.3500 . . . . . . . . . . . 4989 1 890 . 1 1 80 80 GLN HE21 H 1 7.0800 . . . . . . . . . . . 4989 1 891 . 1 1 80 80 GLN HE22 H 1 6.6900 . . . . . . . . . . . 4989 1 892 . 1 1 81 81 GLN H H 1 7.6300 . . . . . . . . . . . 4989 1 893 . 1 1 81 81 GLN N N 15 125.3500 . . . . . . . . . . . 4989 1 894 . 1 1 81 81 GLN CA C 13 57.3795 . . . . . . . . . . . 4989 1 895 . 1 1 81 81 GLN CB C 13 30.2137 . . . . . . . . . . . 4989 1 896 . 1 1 81 81 GLN CG C 13 34.2900 . . . . . . . . . . . 4989 1 897 . 1 1 81 81 GLN HA H 1 4.1300 . . . . . . . . . . . 4989 1 898 . 1 1 81 81 GLN HB2 H 1 2.1700 . . . . . . . . . . . 4989 1 899 . 1 1 81 81 GLN HB3 H 1 1.9900 . . . . . . . . . . . 4989 1 900 . 1 1 81 81 GLN HG2 H 1 2.3900 . . . . . . . . . . . 4989 1 901 . 1 1 81 81 GLN HG3 H 1 2.3900 . . . . . . . . . . . 4989 1 902 . 1 1 81 81 GLN NE2 N 15 111.8800 . . . . . . . . . . . 4989 1 903 . 1 1 81 81 GLN HE21 H 1 7.4200 . . . . . . . . . . . 4989 1 904 . 1 1 81 81 GLN HE22 H 1 6.8400 . . . . . . . . . . . 4989 1 stop_ save_