data_4603 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4603 _Entry.Title ; Tertiary structure of apo-D-alanyl carrier protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-05-05 _Entry.Accession_date 2000-09-07 _Entry.Last_release_date 2001-07-30 _Entry.Original_release_date 2001-07-30 _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 B. Volkman . F. . 4603 2 Q. Zhang . . . 4603 3 D. Debabov . V. . 4603 4 E. Rivera . . . 4603 5 G. Kresheck . . . 4603 6 F. Neuhaus . C. . 4603 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4603 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 584 4603 '13C chemical shifts' 349 4603 '15N chemical shifts' 88 4603 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 . . 2001-07-30 2000-05-05 original author . 4603 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4603 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Biosynthesis of D-alanyl-lipoteichoic acid: the tertiary structure of apo-D-alanyl carrier protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 40 _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 7964 _Citation.Page_last 7972 _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 B. Volkman . F. . 4603 1 2 Q. Zhang . . . 4603 1 3 D. Debabov . V. . 4603 1 4 E. Rivera . . . 4603 1 5 G. Kresheck . . . 4603 1 6 F. Neuhaus . C. . 4603 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3-helix bundle' 4603 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_APO-D-ALANYL _Assembly.Sf_category assembly _Assembly.Sf_framecode system_APO-D-ALANYL _Assembly.Entry_ID 4603 _Assembly.ID 1 _Assembly.Name 'APO-D-ALANYL 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 4603 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 'apo-D-alanyl carrier protein' 1 $APO-D-ALANYL . . . native . . . . . 4603 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 1DV5 . . . . . . 4603 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'APO-D-ALANYL CARRIER PROTEIN' system 4603 1 'APO-D-ALANYL CARRIER PROTEIN' abbreviation 4603 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_APO-D-ALANYL _Entity.Sf_category entity _Entity.Sf_framecode APO-D-ALANYL _Entity.Entry_ID 4603 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'APO-D-ALANYL 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 ; ADEAIKNGVLDILADLTGSD DVKKNLDLNLFETGLLDSMG TVQLLLELQSQFGVDAPVSE FDRKEWDTPNKIIAKVEQAQ ; _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 80 _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 2015-11-24 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 1DV5 . "Tertiary Structure Of Apo-D-Alanyl Carrier Protein" . . . . . 98.75 80 100.00 100.00 6.66e-47 . . . . 4603 1 2 no PDB 1HQB . "Tertiary Structure Of Apo-D-Alanyl Carrier Protein" . . . . . 98.75 80 100.00 100.00 6.66e-47 . . . . 4603 1 3 no DBJ BAI41283 . "D-alanine--poly(phosphoribitol) ligase DltC [Lactobacillus rhamnosus GG]" . . . . . 100.00 81 100.00 100.00 1.17e-47 . . . . 4603 1 4 no EMBL CAR86674 . "D-alanyl carrier protein DltC [Lactobacillus rhamnosus GG]" . . . . . 100.00 81 100.00 100.00 1.17e-47 . . . . 4603 1 5 no EMBL CAR89613 . "D-alanyl carrier protein DltC [Lactobacillus rhamnosus Lc 705]" . . . . . 100.00 81 100.00 100.00 1.17e-47 . . . . 4603 1 6 no EMBL CDN21838 . "D-alanine--poly(phosphoribitol) ligase subunit 2 [Lactobacillus rhamnosus]" . . . . . 100.00 81 100.00 100.00 1.17e-47 . . . . 4603 1 7 no GB AAB17659 . "DltC [Lactobacillus casei]" . . . . . 100.00 81 100.00 100.00 1.17e-47 . . . . 4603 1 8 no GB AAF09203 . "DltC [Lactobacillus rhamnosus]" . . . . . 100.00 81 100.00 100.00 1.17e-47 . . . . 4603 1 9 no GB ABI85297 . "D-alanyl carrier protein [Lactobacillus rhamnosus GG]" . . . . . 100.00 81 100.00 100.00 1.17e-47 . . . . 4603 1 10 no GB AER63614 . "D-alanine--poly(phosphoribitol) ligase, subunit 2 [Lactobacillus rhamnosus ATCC 8530]" . . . . . 100.00 81 100.00 100.00 1.17e-47 . . . . 4603 1 11 no GB AGP70576 . "D-alanine-poly(phosphoribitol) ligase subunit 2 [Lactobacillus rhamnosus LOCK900]" . . . . . 100.00 81 100.00 100.00 1.17e-47 . . . . 4603 1 12 no REF WP_005685531 . "D-alanine--poly(phosphoribitol) ligase subunit 2 [Lactobacillus rhamnosus]" . . . . . 100.00 81 100.00 100.00 1.17e-47 . . . . 4603 1 13 no REF WP_047677124 . "D-alanine--poly(phosphoribitol) ligase subunit 2 [Lactobacillus rhamnosus]" . . . . . 100.00 81 98.75 98.75 3.56e-47 . . . . 4603 1 14 no SP P55153 . "RecName: Full=D-alanine--poly(phosphoribitol) ligase subunit 2; AltName: Full=D-alanyl carrier protein; Short=DCP" . . . . . 100.00 81 100.00 100.00 1.17e-47 . . . . 4603 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'APO-D-ALANYL CARRIER PROTEIN' common 4603 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 ALA . 4603 1 2 3 ASP . 4603 1 3 4 GLU . 4603 1 4 5 ALA . 4603 1 5 6 ILE . 4603 1 6 7 LYS . 4603 1 7 8 ASN . 4603 1 8 9 GLY . 4603 1 9 10 VAL . 4603 1 10 11 LEU . 4603 1 11 12 ASP . 4603 1 12 13 ILE . 4603 1 13 14 LEU . 4603 1 14 15 ALA . 4603 1 15 16 ASP . 4603 1 16 17 LEU . 4603 1 17 18 THR . 4603 1 18 19 GLY . 4603 1 19 20 SER . 4603 1 20 21 ASP . 4603 1 21 22 ASP . 4603 1 22 23 VAL . 4603 1 23 24 LYS . 4603 1 24 25 LYS . 4603 1 25 26 ASN . 4603 1 26 27 LEU . 4603 1 27 28 ASP . 4603 1 28 29 LEU . 4603 1 29 30 ASN . 4603 1 30 31 LEU . 4603 1 31 32 PHE . 4603 1 32 33 GLU . 4603 1 33 34 THR . 4603 1 34 35 GLY . 4603 1 35 36 LEU . 4603 1 36 37 LEU . 4603 1 37 38 ASP . 4603 1 38 39 SER . 4603 1 39 40 MET . 4603 1 40 41 GLY . 4603 1 41 42 THR . 4603 1 42 43 VAL . 4603 1 43 44 GLN . 4603 1 44 45 LEU . 4603 1 45 46 LEU . 4603 1 46 47 LEU . 4603 1 47 48 GLU . 4603 1 48 49 LEU . 4603 1 49 50 GLN . 4603 1 50 51 SER . 4603 1 51 52 GLN . 4603 1 52 53 PHE . 4603 1 53 54 GLY . 4603 1 54 55 VAL . 4603 1 55 56 ASP . 4603 1 56 57 ALA . 4603 1 57 58 PRO . 4603 1 58 59 VAL . 4603 1 59 60 SER . 4603 1 60 61 GLU . 4603 1 61 62 PHE . 4603 1 62 63 ASP . 4603 1 63 64 ARG . 4603 1 64 65 LYS . 4603 1 65 66 GLU . 4603 1 66 67 TRP . 4603 1 67 68 ASP . 4603 1 68 69 THR . 4603 1 69 70 PRO . 4603 1 70 71 ASN . 4603 1 71 72 LYS . 4603 1 72 73 ILE . 4603 1 73 74 ILE . 4603 1 74 75 ALA . 4603 1 75 76 LYS . 4603 1 76 77 VAL . 4603 1 77 78 GLU . 4603 1 78 79 GLN . 4603 1 79 80 ALA . 4603 1 80 81 GLN . 4603 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 4603 1 . ASP 2 2 4603 1 . GLU 3 3 4603 1 . ALA 4 4 4603 1 . ILE 5 5 4603 1 . LYS 6 6 4603 1 . ASN 7 7 4603 1 . GLY 8 8 4603 1 . VAL 9 9 4603 1 . LEU 10 10 4603 1 . ASP 11 11 4603 1 . ILE 12 12 4603 1 . LEU 13 13 4603 1 . ALA 14 14 4603 1 . ASP 15 15 4603 1 . LEU 16 16 4603 1 . THR 17 17 4603 1 . GLY 18 18 4603 1 . SER 19 19 4603 1 . ASP 20 20 4603 1 . ASP 21 21 4603 1 . VAL 22 22 4603 1 . LYS 23 23 4603 1 . LYS 24 24 4603 1 . ASN 25 25 4603 1 . LEU 26 26 4603 1 . ASP 27 27 4603 1 . LEU 28 28 4603 1 . ASN 29 29 4603 1 . LEU 30 30 4603 1 . PHE 31 31 4603 1 . GLU 32 32 4603 1 . THR 33 33 4603 1 . GLY 34 34 4603 1 . LEU 35 35 4603 1 . LEU 36 36 4603 1 . ASP 37 37 4603 1 . SER 38 38 4603 1 . MET 39 39 4603 1 . GLY 40 40 4603 1 . THR 41 41 4603 1 . VAL 42 42 4603 1 . GLN 43 43 4603 1 . LEU 44 44 4603 1 . LEU 45 45 4603 1 . LEU 46 46 4603 1 . GLU 47 47 4603 1 . LEU 48 48 4603 1 . GLN 49 49 4603 1 . SER 50 50 4603 1 . GLN 51 51 4603 1 . PHE 52 52 4603 1 . GLY 53 53 4603 1 . VAL 54 54 4603 1 . ASP 55 55 4603 1 . ALA 56 56 4603 1 . PRO 57 57 4603 1 . VAL 58 58 4603 1 . SER 59 59 4603 1 . GLU 60 60 4603 1 . PHE 61 61 4603 1 . ASP 62 62 4603 1 . ARG 63 63 4603 1 . LYS 64 64 4603 1 . GLU 65 65 4603 1 . TRP 66 66 4603 1 . ASP 67 67 4603 1 . THR 68 68 4603 1 . PRO 69 69 4603 1 . ASN 70 70 4603 1 . LYS 71 71 4603 1 . ILE 72 72 4603 1 . ILE 73 73 4603 1 . ALA 74 74 4603 1 . LYS 75 75 4603 1 . VAL 76 76 4603 1 . GLU 77 77 4603 1 . GLN 78 78 4603 1 . ALA 79 79 4603 1 . GLN 80 80 4603 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 4603 _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 $APO-D-ALANYL . 1582 organism . 'Lactobacillus casei' 'Lactobacillus casei' . . Bacteria . Lactobacillus casei . . . . . . . . . . . . . . . . . . . . . 4603 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 4603 _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 $APO-D-ALANYL . 'recombinant technology' 'Escherichia coli' bacteria . . Escherichia coli BL21 . . . . . . . . . . . . . . . PDCP1 . . . . . . 4603 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4603 _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 'APO-D-ALANYL CARRIER PROTEIN' [U-15N] . . 1 $APO-D-ALANYL . . 1.2 . . mM . . . . 4603 1 2 phosphate . . . . . . . 50 . . mM . . . . 4603 1 3 H2O . . . . . . . 90 . . % . . . . 4603 1 4 D2O . . . . . . . 10 . . % . . . . 4603 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4603 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'APO-D-ALANYL CARRIER PROTEIN' '[U-15N; U-13C]' . . 1 $APO-D-ALANYL . . 1.8 . . mM . . . . 4603 2 2 phosphate . . . . . . . 50 . . mM . . . . 4603 2 3 H2O . . . . . . . 90 . . % . . . . 4603 2 4 D2O . . . . . . . 10 . . % . . . . 4603 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4603 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.8 . pH 4603 1 temperature 298 . K 4603 1 'ionic strength' 50 . mM 4603 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4603 _Software.ID 1 _Software.Name FELIX _Software.Version 95 _Software.Details 'Molecular Simulations' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4603 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4603 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details 'Frank Delaglio' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4603 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 4603 _Software.ID 3 _Software.Name DYANA _Software.Version 1.5 _Software.Details 'Peter Guntert' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data refinement' 4603 3 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4603 _Software.ID 4 _Software.Name XWINNMR _Software.Version 2.3 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 4603 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4603 _Software.ID 5 _Software.Name XEASY _Software.Version 1.3 _Software.Details Bartels loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4603 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4603 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 4603 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 4603 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 4603 _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' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4603 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4603 1 3 '2D 15N-filtered NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4603 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4603 _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 DDS 'methyl protons' . . . . ppm 0 external direct . . . . 1 $entry_citation . . 1 $entry_citation 4603 1 C 13 DDS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4603 1 N 15 DDS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4603 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 4603 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4603 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA CA C 13 51.4 0.15 . 1 . . . . . . . . 4603 1 2 . 1 1 1 1 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 4603 1 3 . 1 1 1 1 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 4603 1 4 . 1 1 1 1 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 4603 1 5 . 1 1 1 1 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 4603 1 6 . 1 1 1 1 ALA CB C 13 19.1 0.15 . 1 . . . . . . . . 4603 1 7 . 1 1 1 1 ALA C C 13 173.5 0.15 . 1 . . . . . . . . 4603 1 8 . 1 1 2 2 ASP N N 15 121.8 0.2 . 1 . . . . . . . . 4603 1 9 . 1 1 2 2 ASP H H 1 8.93 0.02 . 1 . . . . . . . . 4603 1 10 . 1 1 2 2 ASP CA C 13 54.2 0.15 . 1 . . . . . . . . 4603 1 11 . 1 1 2 2 ASP HA H 1 4.61 0.02 . 1 . . . . . . . . 4603 1 12 . 1 1 2 2 ASP CB C 13 41.7 0.15 . 1 . . . . . . . . 4603 1 13 . 1 1 2 2 ASP HB2 H 1 2.76 0.02 . 1 . . . . . . . . 4603 1 14 . 1 1 2 2 ASP HB3 H 1 2.76 0.02 . 1 . . . . . . . . 4603 1 15 . 1 1 2 2 ASP C C 13 176.7 0.15 . 1 . . . . . . . . 4603 1 16 . 1 1 3 3 GLU N N 15 125.4 0.2 . 1 . . . . . . . . 4603 1 17 . 1 1 3 3 GLU H H 1 8.91 0.02 . 1 . . . . . . . . 4603 1 18 . 1 1 3 3 GLU CA C 13 58.4 0.15 . 1 . . . . . . . . 4603 1 19 . 1 1 3 3 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . 4603 1 20 . 1 1 3 3 GLU CB C 13 30.1 0.15 . 1 . . . . . . . . 4603 1 21 . 1 1 3 3 GLU HB2 H 1 2.07 0.02 . 1 . . . . . . . . 4603 1 22 . 1 1 3 3 GLU HB3 H 1 2.07 0.02 . 1 . . . . . . . . 4603 1 23 . 1 1 3 3 GLU CG C 13 36.0 0.15 . 1 . . . . . . . . 4603 1 24 . 1 1 3 3 GLU HG2 H 1 2.33 0.02 . 1 . . . . . . . . 4603 1 25 . 1 1 3 3 GLU HG3 H 1 2.33 0.02 . 1 . . . . . . . . 4603 1 26 . 1 1 3 3 GLU C C 13 176.8 0.15 . 1 . . . . . . . . 4603 1 27 . 1 1 4 4 ALA N N 15 121.4 0.2 . 1 . . . . . . . . 4603 1 28 . 1 1 4 4 ALA H H 1 8.32 0.02 . 1 . . . . . . . . 4603 1 29 . 1 1 4 4 ALA CA C 13 55.0 0.15 . 1 . . . . . . . . 4603 1 30 . 1 1 4 4 ALA HA H 1 4.23 0.02 . 1 . . . . . . . . 4603 1 31 . 1 1 4 4 ALA HB1 H 1 1.55 0.02 . 1 . . . . . . . . 4603 1 32 . 1 1 4 4 ALA HB2 H 1 1.55 0.02 . 1 . . . . . . . . 4603 1 33 . 1 1 4 4 ALA HB3 H 1 1.55 0.02 . 1 . . . . . . . . 4603 1 34 . 1 1 4 4 ALA CB C 13 18.1 0.15 . 1 . . . . . . . . 4603 1 35 . 1 1 4 4 ALA C C 13 181.4 0.15 . 1 . . . . . . . . 4603 1 36 . 1 1 5 5 ILE N N 15 120.2 0.2 . 1 . . . . . . . . 4603 1 37 . 1 1 5 5 ILE H H 1 7.97 0.02 . 1 . . . . . . . . 4603 1 38 . 1 1 5 5 ILE CA C 13 64.1 0.15 . 1 . . . . . . . . 4603 1 39 . 1 1 5 5 ILE HA H 1 3.74 0.02 . 1 . . . . . . . . 4603 1 40 . 1 1 5 5 ILE CB C 13 36.7 0.15 . 1 . . . . . . . . 4603 1 41 . 1 1 5 5 ILE HB H 1 1.88 0.02 . 1 . . . . . . . . 4603 1 42 . 1 1 5 5 ILE HG21 H 1 0.54 0.02 . 1 . . . . . . . . 4603 1 43 . 1 1 5 5 ILE HG22 H 1 0.54 0.02 . 1 . . . . . . . . 4603 1 44 . 1 1 5 5 ILE HG23 H 1 0.54 0.02 . 1 . . . . . . . . 4603 1 45 . 1 1 5 5 ILE CG2 C 13 17.5 0.15 . 1 . . . . . . . . 4603 1 46 . 1 1 5 5 ILE CG1 C 13 28.5 0.15 . 1 . . . . . . . . 4603 1 47 . 1 1 5 5 ILE HG12 H 1 1.62 0.02 . 2 . . . . . . . . 4603 1 48 . 1 1 5 5 ILE HG13 H 1 1.09 0.02 . 2 . . . . . . . . 4603 1 49 . 1 1 5 5 ILE HD11 H 1 0.80 0.02 . 1 . . . . . . . . 4603 1 50 . 1 1 5 5 ILE HD12 H 1 0.80 0.02 . 1 . . . . . . . . 4603 1 51 . 1 1 5 5 ILE HD13 H 1 0.80 0.02 . 1 . . . . . . . . 4603 1 52 . 1 1 5 5 ILE CD1 C 13 12.4 0.15 . 1 . . . . . . . . 4603 1 53 . 1 1 5 5 ILE C C 13 176.6 0.15 . 1 . . . . . . . . 4603 1 54 . 1 1 6 6 LYS N N 15 119.8 0.2 . 1 . . . . . . . . 4603 1 55 . 1 1 6 6 LYS H H 1 8.02 0.02 . 1 . . . . . . . . 4603 1 56 . 1 1 6 6 LYS CA C 13 59.9 0.15 . 1 . . . . . . . . 4603 1 57 . 1 1 6 6 LYS HA H 1 3.66 0.02 . 1 . . . . . . . . 4603 1 58 . 1 1 6 6 LYS CB C 13 31.9 0.15 . 1 . . . . . . . . 4603 1 59 . 1 1 6 6 LYS HB2 H 1 1.84 0.02 . 2 . . . . . . . . 4603 1 60 . 1 1 6 6 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 4603 1 61 . 1 1 6 6 LYS CG C 13 24.1 0.15 . 1 . . . . . . . . 4603 1 62 . 1 1 6 6 LYS HG2 H 1 1.40 0.02 . 2 . . . . . . . . 4603 1 63 . 1 1 6 6 LYS HG3 H 1 1.24 0.02 . 2 . . . . . . . . 4603 1 64 . 1 1 6 6 LYS CD C 13 29.5 0.15 . 1 . . . . . . . . 4603 1 65 . 1 1 6 6 LYS HD2 H 1 1.70 0.02 . 2 . . . . . . . . 4603 1 66 . 1 1 6 6 LYS HD3 H 1 1.66 0.02 . 2 . . . . . . . . 4603 1 67 . 1 1 6 6 LYS CE C 13 41.7 0.15 . 1 . . . . . . . . 4603 1 68 . 1 1 6 6 LYS HE2 H 1 2.89 0.02 . 1 . . . . . . . . 4603 1 69 . 1 1 6 6 LYS HE3 H 1 2.89 0.02 . 1 . . . . . . . . 4603 1 70 . 1 1 6 6 LYS C C 13 177.4 0.15 . 1 . . . . . . . . 4603 1 71 . 1 1 7 7 ASN N N 15 114.6 0.2 . 1 . . . . . . . . 4603 1 72 . 1 1 7 7 ASN H H 1 8.51 0.02 . 1 . . . . . . . . 4603 1 73 . 1 1 7 7 ASN CA C 13 55.8 0.15 . 1 . . . . . . . . 4603 1 74 . 1 1 7 7 ASN HA H 1 4.39 0.02 . 1 . . . . . . . . 4603 1 75 . 1 1 7 7 ASN CB C 13 37.5 0.15 . 1 . . . . . . . . 4603 1 76 . 1 1 7 7 ASN HB2 H 1 2.90 0.02 . 2 . . . . . . . . 4603 1 77 . 1 1 7 7 ASN HB3 H 1 2.81 0.02 . 2 . . . . . . . . 4603 1 78 . 1 1 7 7 ASN ND2 N 15 112.7 0.2 . 1 . . . . . . . . 4603 1 79 . 1 1 7 7 ASN HD21 H 1 7.05 0.02 . 2 . . . . . . . . 4603 1 80 . 1 1 7 7 ASN HD22 H 1 7.59 0.02 . 2 . . . . . . . . 4603 1 81 . 1 1 7 7 ASN C C 13 177.7 0.15 . 1 . . . . . . . . 4603 1 82 . 1 1 8 8 GLY N N 15 107.9 0.2 . 1 . . . . . . . . 4603 1 83 . 1 1 8 8 GLY H H 1 8.21 0.02 . 1 . . . . . . . . 4603 1 84 . 1 1 8 8 GLY CA C 13 47.1 0.15 . 1 . . . . . . . . 4603 1 85 . 1 1 8 8 GLY HA3 H 1 4.13 0.02 . 2 . . . . . . . . 4603 1 86 . 1 1 8 8 GLY HA2 H 1 4.07 0.02 . 2 . . . . . . . . 4603 1 87 . 1 1 8 8 GLY C C 13 176.9 0.15 . 1 . . . . . . . . 4603 1 88 . 1 1 9 9 VAL N N 15 122.8 0.2 . 1 . . . . . . . . 4603 1 89 . 1 1 9 9 VAL H H 1 8.77 0.02 . 1 . . . . . . . . 4603 1 90 . 1 1 9 9 VAL CA C 13 66.9 0.15 . 1 . . . . . . . . 4603 1 91 . 1 1 9 9 VAL HA H 1 3.60 0.02 . 1 . . . . . . . . 4603 1 92 . 1 1 9 9 VAL CB C 13 31.1 0.15 . 1 . . . . . . . . 4603 1 93 . 1 1 9 9 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 4603 1 94 . 1 1 9 9 VAL HG11 H 1 0.80 0.02 . 2 . . . . . . . . 4603 1 95 . 1 1 9 9 VAL HG12 H 1 0.80 0.02 . 2 . . . . . . . . 4603 1 96 . 1 1 9 9 VAL HG13 H 1 0.80 0.02 . 2 . . . . . . . . 4603 1 97 . 1 1 9 9 VAL HG21 H 1 0.77 0.02 . 2 . . . . . . . . 4603 1 98 . 1 1 9 9 VAL HG22 H 1 0.77 0.02 . 2 . . . . . . . . 4603 1 99 . 1 1 9 9 VAL HG23 H 1 0.77 0.02 . 2 . . . . . . . . 4603 1 100 . 1 1 9 9 VAL CG1 C 13 21.8 0.15 . 1 . . . . . . . . 4603 1 101 . 1 1 9 9 VAL CG2 C 13 24.3 0.15 . 1 . . . . . . . . 4603 1 102 . 1 1 9 9 VAL C C 13 177.7 0.15 . 1 . . . . . . . . 4603 1 103 . 1 1 10 10 LEU N N 15 118.6 0.2 . 1 . . . . . . . . 4603 1 104 . 1 1 10 10 LEU H H 1 8.37 0.02 . 1 . . . . . . . . 4603 1 105 . 1 1 10 10 LEU CA C 13 58.1 0.15 . 1 . . . . . . . . 4603 1 106 . 1 1 10 10 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 4603 1 107 . 1 1 10 10 LEU CB C 13 40.9 0.15 . 1 . . . . . . . . 4603 1 108 . 1 1 10 10 LEU HB2 H 1 2.11 0.02 . 2 . . . . . . . . 4603 1 109 . 1 1 10 10 LEU HB3 H 1 1.27 0.02 . 2 . . . . . . . . 4603 1 110 . 1 1 10 10 LEU CG C 13 26.1 0.15 . 1 . . . . . . . . 4603 1 111 . 1 1 10 10 LEU HG H 1 2.07 0.02 . 1 . . . . . . . . 4603 1 112 . 1 1 10 10 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4603 1 113 . 1 1 10 10 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4603 1 114 . 1 1 10 10 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4603 1 115 . 1 1 10 10 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . 4603 1 116 . 1 1 10 10 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . 4603 1 117 . 1 1 10 10 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . 4603 1 118 . 1 1 10 10 LEU CD1 C 13 25.8 0.15 . 1 . . . . . . . . 4603 1 119 . 1 1 10 10 LEU CD2 C 13 22.4 0.15 . 1 . . . . . . . . 4603 1 120 . 1 1 10 10 LEU C C 13 178.7 0.15 . 1 . . . . . . . . 4603 1 121 . 1 1 11 11 ASP N N 15 120.0 0.2 . 1 . . . . . . . . 4603 1 122 . 1 1 11 11 ASP H H 1 8.27 0.02 . 1 . . . . . . . . 4603 1 123 . 1 1 11 11 ASP CA C 13 57.5 0.15 . 1 . . . . . . . . 4603 1 124 . 1 1 11 11 ASP HA H 1 4.45 0.02 . 1 . . . . . . . . 4603 1 125 . 1 1 11 11 ASP CB C 13 39.6 0.15 . 1 . . . . . . . . 4603 1 126 . 1 1 11 11 ASP HB2 H 1 2.89 0.02 . 2 . . . . . . . . 4603 1 127 . 1 1 11 11 ASP HB3 H 1 2.74 0.02 . 2 . . . . . . . . 4603 1 128 . 1 1 11 11 ASP C C 13 179.1 0.15 . 1 . . . . . . . . 4603 1 129 . 1 1 12 12 ILE N N 15 121.2 0.2 . 1 . . . . . . . . 4603 1 130 . 1 1 12 12 ILE H H 1 7.61 0.02 . 1 . . . . . . . . 4603 1 131 . 1 1 12 12 ILE CA C 13 64.8 0.15 . 1 . . . . . . . . 4603 1 132 . 1 1 12 12 ILE HA H 1 3.92 0.02 . 1 . . . . . . . . 4603 1 133 . 1 1 12 12 ILE CB C 13 38.5 0.15 . 1 . . . . . . . . 4603 1 134 . 1 1 12 12 ILE HB H 1 2.07 0.02 . 1 . . . . . . . . 4603 1 135 . 1 1 12 12 ILE HG21 H 1 0.93 0.02 . 1 . . . . . . . . 4603 1 136 . 1 1 12 12 ILE HG22 H 1 0.93 0.02 . 1 . . . . . . . . 4603 1 137 . 1 1 12 12 ILE HG23 H 1 0.93 0.02 . 1 . . . . . . . . 4603 1 138 . 1 1 12 12 ILE CG2 C 13 16.9 0.15 . 1 . . . . . . . . 4603 1 139 . 1 1 12 12 ILE CG1 C 13 28.7 0.15 . 1 . . . . . . . . 4603 1 140 . 1 1 12 12 ILE HG12 H 1 1.97 0.02 . 2 . . . . . . . . 4603 1 141 . 1 1 12 12 ILE HG13 H 1 1.17 0.02 . 2 . . . . . . . . 4603 1 142 . 1 1 12 12 ILE HD11 H 1 0.93 0.02 . 1 . . . . . . . . 4603 1 143 . 1 1 12 12 ILE HD12 H 1 0.93 0.02 . 1 . . . . . . . . 4603 1 144 . 1 1 12 12 ILE HD13 H 1 0.93 0.02 . 1 . . . . . . . . 4603 1 145 . 1 1 12 12 ILE CD1 C 13 14.6 0.15 . 1 . . . . . . . . 4603 1 146 . 1 1 12 12 ILE C C 13 178.5 0.15 . 1 . . . . . . . . 4603 1 147 . 1 1 13 13 LEU N N 15 117.9 0.2 . 1 . . . . . . . . 4603 1 148 . 1 1 13 13 LEU H H 1 8.61 0.02 . 1 . . . . . . . . 4603 1 149 . 1 1 13 13 LEU CA C 13 57.5 0.15 . 1 . . . . . . . . 4603 1 150 . 1 1 13 13 LEU HA H 1 4.02 0.02 . 1 . . . . . . . . 4603 1 151 . 1 1 13 13 LEU CB C 13 42.9 0.15 . 1 . . . . . . . . 4603 1 152 . 1 1 13 13 LEU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4603 1 153 . 1 1 13 13 LEU HB3 H 1 1.28 0.02 . 2 . . . . . . . . 4603 1 154 . 1 1 13 13 LEU CG C 13 26.2 0.15 . 1 . . . . . . . . 4603 1 155 . 1 1 13 13 LEU HG H 1 2.06 0.02 . 1 . . . . . . . . 4603 1 156 . 1 1 13 13 LEU CD1 C 13 23.5 0.15 . 1 . . . . . . . . 4603 1 157 . 1 1 13 13 LEU CD2 C 13 23.6 0.15 . 1 . . . . . . . . 4603 1 158 . 1 1 13 13 LEU HD11 H 1 0.89 0.02 . 1 . . . . . . . . 4603 1 159 . 1 1 13 13 LEU HD12 H 1 0.89 0.02 . 1 . . . . . . . . 4603 1 160 . 1 1 13 13 LEU HD13 H 1 0.89 0.02 . 1 . . . . . . . . 4603 1 161 . 1 1 13 13 LEU HD21 H 1 0.89 0.02 . 1 . . . . . . . . 4603 1 162 . 1 1 13 13 LEU HD22 H 1 0.89 0.02 . 1 . . . . . . . . 4603 1 163 . 1 1 13 13 LEU HD23 H 1 0.89 0.02 . 1 . . . . . . . . 4603 1 164 . 1 1 13 13 LEU C C 13 179.7 0.15 . 1 . . . . . . . . 4603 1 165 . 1 1 14 14 ALA N N 15 126.5 0.2 . 1 . . . . . . . . 4603 1 166 . 1 1 14 14 ALA H H 1 9.15 0.02 . 1 . . . . . . . . 4603 1 167 . 1 1 14 14 ALA CA C 13 54.9 0.15 . 1 . . . . . . . . 4603 1 168 . 1 1 14 14 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 4603 1 169 . 1 1 14 14 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 4603 1 170 . 1 1 14 14 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 4603 1 171 . 1 1 14 14 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 4603 1 172 . 1 1 14 14 ALA CB C 13 17.9 0.15 . 1 . . . . . . . . 4603 1 173 . 1 1 14 14 ALA C C 13 179.6 0.15 . 1 . . . . . . . . 4603 1 174 . 1 1 15 15 ASP N N 15 119.5 0.2 . 1 . . . . . . . . 4603 1 175 . 1 1 15 15 ASP H H 1 7.75 0.02 . 1 . . . . . . . . 4603 1 176 . 1 1 15 15 ASP CA C 13 56.9 0.15 . 1 . . . . . . . . 4603 1 177 . 1 1 15 15 ASP HA H 1 4.40 0.02 . 1 . . . . . . . . 4603 1 178 . 1 1 15 15 ASP CB C 13 40.9 0.15 . 1 . . . . . . . . 4603 1 179 . 1 1 15 15 ASP HB2 H 1 2.85 0.02 . 1 . . . . . . . . 4603 1 180 . 1 1 15 15 ASP HB3 H 1 2.85 0.02 . 1 . . . . . . . . 4603 1 181 . 1 1 15 15 ASP C C 13 178.5 0.15 . 1 . . . . . . . . 4603 1 182 . 1 1 16 16 LEU N N 15 117.4 0.2 . 1 . . . . . . . . 4603 1 183 . 1 1 16 16 LEU H H 1 8.43 0.02 . 1 . . . . . . . . 4603 1 184 . 1 1 16 16 LEU CA C 13 56.9 0.15 . 1 . . . . . . . . 4603 1 185 . 1 1 16 16 LEU HA H 1 4.17 0.02 . 1 . . . . . . . . 4603 1 186 . 1 1 16 16 LEU CB C 13 43.1 0.15 . 1 . . . . . . . . 4603 1 187 . 1 1 16 16 LEU HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4603 1 188 . 1 1 16 16 LEU HB3 H 1 1.50 0.02 . 2 . . . . . . . . 4603 1 189 . 1 1 16 16 LEU CG C 13 25.9 0.15 . 1 . . . . . . . . 4603 1 190 . 1 1 16 16 LEU HG H 1 0.88 0.02 . 1 . . . . . . . . 4603 1 191 . 1 1 16 16 LEU CD1 C 13 23.4 0.15 . 1 . . . . . . . . 4603 1 192 . 1 1 16 16 LEU CD2 C 13 23.4 0.15 . 1 . . . . . . . . 4603 1 193 . 1 1 16 16 LEU HD11 H 1 0.87 0.02 . 1 . . . . . . . . 4603 1 194 . 1 1 16 16 LEU HD12 H 1 0.87 0.02 . 1 . . . . . . . . 4603 1 195 . 1 1 16 16 LEU HD13 H 1 0.87 0.02 . 1 . . . . . . . . 4603 1 196 . 1 1 16 16 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . 4603 1 197 . 1 1 16 16 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . 4603 1 198 . 1 1 16 16 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . 4603 1 199 . 1 1 16 16 LEU C C 13 179.1 0.15 . 1 . . . . . . . . 4603 1 200 . 1 1 17 17 THR N N 15 105.1 0.2 . 1 . . . . . . . . 4603 1 201 . 1 1 17 17 THR H H 1 8.19 0.02 . 1 . . . . . . . . 4603 1 202 . 1 1 17 17 THR CA C 13 62.3 0.15 . 1 . . . . . . . . 4603 1 203 . 1 1 17 17 THR HA H 1 4.38 0.02 . 1 . . . . . . . . 4603 1 204 . 1 1 17 17 THR CB C 13 70.9 0.15 . 1 . . . . . . . . 4603 1 205 . 1 1 17 17 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 4603 1 206 . 1 1 17 17 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 4603 1 207 . 1 1 17 17 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 4603 1 208 . 1 1 17 17 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 4603 1 209 . 1 1 17 17 THR HG1 H 1 4.48 0.02 . 1 . . . . . . . . 4603 1 210 . 1 1 17 17 THR CG2 C 13 21.0 0.15 . 1 . . . . . . . . 4603 1 211 . 1 1 17 17 THR C C 13 176.4 0.15 . 1 . . . . . . . . 4603 1 212 . 1 1 18 18 GLY N N 15 110.7 0.2 . 1 . . . . . . . . 4603 1 213 . 1 1 18 18 GLY H H 1 7.70 0.02 . 1 . . . . . . . . 4603 1 214 . 1 1 18 18 GLY CA C 13 45.8 0.15 . 1 . . . . . . . . 4603 1 215 . 1 1 18 18 GLY HA3 H 1 4.12 0.02 . 2 . . . . . . . . 4603 1 216 . 1 1 18 18 GLY HA2 H 1 3.90 0.02 . 2 . . . . . . . . 4603 1 217 . 1 1 18 18 GLY C C 13 173.2 0.15 . 1 . . . . . . . . 4603 1 218 . 1 1 19 19 SER N N 15 113.1 0.2 . 1 . . . . . . . . 4603 1 219 . 1 1 19 19 SER H H 1 7.94 0.02 . 1 . . . . . . . . 4603 1 220 . 1 1 19 19 SER CA C 13 56.3 0.15 . 1 . . . . . . . . 4603 1 221 . 1 1 19 19 SER HA H 1 4.77 0.02 . 1 . . . . . . . . 4603 1 222 . 1 1 19 19 SER CB C 13 64.9 0.15 . 1 . . . . . . . . 4603 1 223 . 1 1 19 19 SER HB2 H 1 3.74 0.02 . 1 . . . . . . . . 4603 1 224 . 1 1 19 19 SER HB3 H 1 3.74 0.02 . 1 . . . . . . . . 4603 1 225 . 1 1 19 19 SER C C 13 174.1 0.15 . 1 . . . . . . . . 4603 1 226 . 1 1 20 20 ASP N N 15 123.6 0.2 . 1 . . . . . . . . 4603 1 227 . 1 1 20 20 ASP H H 1 8.68 0.02 . 1 . . . . . . . . 4603 1 228 . 1 1 20 20 ASP CA C 13 54.5 0.15 . 1 . . . . . . . . 4603 1 229 . 1 1 20 20 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 4603 1 230 . 1 1 20 20 ASP CB C 13 40.2 0.15 . 1 . . . . . . . . 4603 1 231 . 1 1 20 20 ASP HB2 H 1 2.74 0.02 . 2 . . . . . . . . 4603 1 232 . 1 1 20 20 ASP HB3 H 1 2.67 0.02 . 2 . . . . . . . . 4603 1 233 . 1 1 20 20 ASP C C 13 178.2 0.15 . 1 . . . . . . . . 4603 1 234 . 1 1 21 21 ASP N N 15 122.3 0.2 . 1 . . . . . . . . 4603 1 235 . 1 1 21 21 ASP H H 1 8.65 0.02 . 1 . . . . . . . . 4603 1 236 . 1 1 21 21 ASP CA C 13 57.6 0.15 . 1 . . . . . . . . 4603 1 237 . 1 1 21 21 ASP HA H 1 4.29 0.02 . 1 . . . . . . . . 4603 1 238 . 1 1 21 21 ASP CB C 13 39.6 0.15 . 1 . . . . . . . . 4603 1 239 . 1 1 21 21 ASP HB2 H 1 2.47 0.02 . 2 . . . . . . . . 4603 1 240 . 1 1 21 21 ASP HB3 H 1 2.56 0.02 . 2 . . . . . . . . 4603 1 241 . 1 1 21 21 ASP C C 13 178.5 0.15 . 1 . . . . . . . . 4603 1 242 . 1 1 22 22 VAL N N 15 110.5 0.2 . 1 . . . . . . . . 4603 1 243 . 1 1 22 22 VAL H H 1 7.04 0.02 . 1 . . . . . . . . 4603 1 244 . 1 1 22 22 VAL CA C 13 63.2 0.15 . 1 . . . . . . . . 4603 1 245 . 1 1 22 22 VAL HA H 1 3.86 0.02 . 1 . . . . . . . . 4603 1 246 . 1 1 22 22 VAL CB C 13 30.8 0.15 . 1 . . . . . . . . 4603 1 247 . 1 1 22 22 VAL HB H 1 2.09 0.02 . 1 . . . . . . . . 4603 1 248 . 1 1 22 22 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 4603 1 249 . 1 1 22 22 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 4603 1 250 . 1 1 22 22 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 4603 1 251 . 1 1 22 22 VAL HG21 H 1 0.94 0.02 . 2 . . . . . . . . 4603 1 252 . 1 1 22 22 VAL HG22 H 1 0.94 0.02 . 2 . . . . . . . . 4603 1 253 . 1 1 22 22 VAL HG23 H 1 0.94 0.02 . 2 . . . . . . . . 4603 1 254 . 1 1 22 22 VAL CG1 C 13 22.0 0.15 . 1 . . . . . . . . 4603 1 255 . 1 1 22 22 VAL CG2 C 13 18.2 0.15 . 1 . . . . . . . . 4603 1 256 . 1 1 22 22 VAL C C 13 173.4 0.15 . 1 . . . . . . . . 4603 1 257 . 1 1 23 23 LYS N N 15 111.8 0.2 . 1 . . . . . . . . 4603 1 258 . 1 1 23 23 LYS H H 1 7.10 0.02 . 1 . . . . . . . . 4603 1 259 . 1 1 23 23 LYS CA C 13 57.3 0.15 . 1 . . . . . . . . 4603 1 260 . 1 1 23 23 LYS HA H 1 4.17 0.02 . 1 . . . . . . . . 4603 1 261 . 1 1 23 23 LYS CB C 13 32.5 0.15 . 1 . . . . . . . . 4603 1 262 . 1 1 23 23 LYS HB2 H 1 1.84 0.02 . 1 . . . . . . . . 4603 1 263 . 1 1 23 23 LYS HB3 H 1 1.84 0.02 . 1 . . . . . . . . 4603 1 264 . 1 1 23 23 LYS CG C 13 27.1 0.15 . 1 . . . . . . . . 4603 1 265 . 1 1 23 23 LYS HG2 H 1 1.33 0.02 . 1 . . . . . . . . 4603 1 266 . 1 1 23 23 LYS HG3 H 1 1.33 0.02 . 1 . . . . . . . . 4603 1 267 . 1 1 23 23 LYS CD C 13 29.5 0.15 . 1 . . . . . . . . 4603 1 268 . 1 1 23 23 LYS HD2 H 1 1.85 0.02 . 2 . . . . . . . . 4603 1 269 . 1 1 23 23 LYS HD3 H 1 1.69 0.02 . 2 . . . . . . . . 4603 1 270 . 1 1 23 23 LYS CE C 13 42.0 0.15 . 1 . . . . . . . . 4603 1 271 . 1 1 23 23 LYS HE2 H 1 2.86 0.02 . 2 . . . . . . . . 4603 1 272 . 1 1 23 23 LYS HE3 H 1 2.77 0.02 . 2 . . . . . . . . 4603 1 273 . 1 1 23 23 LYS C C 13 176.9 0.15 . 1 . . . . . . . . 4603 1 274 . 1 1 24 24 LYS N N 15 116.4 0.2 . 1 . . . . . . . . 4603 1 275 . 1 1 24 24 LYS H H 1 7.20 0.02 . 1 . . . . . . . . 4603 1 276 . 1 1 24 24 LYS CA C 13 56.2 0.15 . 1 . . . . . . . . 4603 1 277 . 1 1 24 24 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 4603 1 278 . 1 1 24 24 LYS CB C 13 33.7 0.15 . 1 . . . . . . . . 4603 1 279 . 1 1 24 24 LYS HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4603 1 280 . 1 1 24 24 LYS HB3 H 1 1.76 0.02 . 2 . . . . . . . . 4603 1 281 . 1 1 24 24 LYS CG C 13 24.8 0.15 . 1 . . . . . . . . 4603 1 282 . 1 1 24 24 LYS HG2 H 1 1.45 0.02 . 2 . . . . . . . . 4603 1 283 . 1 1 24 24 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 4603 1 284 . 1 1 24 24 LYS CD C 13 28.7 0.15 . 1 . . . . . . . . 4603 1 285 . 1 1 24 24 LYS HD2 H 1 1.60 0.02 . 2 . . . . . . . . 4603 1 286 . 1 1 24 24 LYS HD3 H 1 1.64 0.02 . 2 . . . . . . . . 4603 1 287 . 1 1 24 24 LYS CE C 13 42.0 0.15 . 1 . . . . . . . . 4603 1 288 . 1 1 24 24 LYS HE2 H 1 2.90 0.02 . 1 . . . . . . . . 4603 1 289 . 1 1 24 24 LYS HE3 H 1 2.90 0.02 . 1 . . . . . . . . 4603 1 290 . 1 1 24 24 LYS C C 13 176.1 0.15 . 1 . . . . . . . . 4603 1 291 . 1 1 25 25 ASN N N 15 116.4 0.2 . 1 . . . . . . . . 4603 1 292 . 1 1 25 25 ASN H H 1 7.44 0.02 . 1 . . . . . . . . 4603 1 293 . 1 1 25 25 ASN CA C 13 51.2 0.15 . 1 . . . . . . . . 4603 1 294 . 1 1 25 25 ASN HA H 1 4.86 0.02 . 1 . . . . . . . . 4603 1 295 . 1 1 25 25 ASN CB C 13 38.0 0.15 . 1 . . . . . . . . 4603 1 296 . 1 1 25 25 ASN HB2 H 1 2.89 0.02 . 2 . . . . . . . . 4603 1 297 . 1 1 25 25 ASN HB3 H 1 2.71 0.02 . 2 . . . . . . . . 4603 1 298 . 1 1 25 25 ASN ND2 N 15 110.8 0.2 . 1 . . . . . . . . 4603 1 299 . 1 1 25 25 ASN HD21 H 1 7.01 0.02 . 2 . . . . . . . . 4603 1 300 . 1 1 25 25 ASN HD22 H 1 7.66 0.02 . 2 . . . . . . . . 4603 1 301 . 1 1 25 25 ASN C C 13 174.4 0.15 . 1 . . . . . . . . 4603 1 302 . 1 1 26 26 LEU N N 15 122.4 0.2 . 1 . . . . . . . . 4603 1 303 . 1 1 26 26 LEU H H 1 8.68 0.02 . 1 . . . . . . . . 4603 1 304 . 1 1 26 26 LEU CA C 13 56.9 0.15 . 1 . . . . . . . . 4603 1 305 . 1 1 26 26 LEU HA H 1 4.08 0.02 . 1 . . . . . . . . 4603 1 306 . 1 1 26 26 LEU CB C 13 40.4 0.15 . 1 . . . . . . . . 4603 1 307 . 1 1 26 26 LEU HB2 H 1 1.55 0.02 . 1 . . . . . . . . 4603 1 308 . 1 1 26 26 LEU HB3 H 1 1.55 0.02 . 1 . . . . . . . . 4603 1 309 . 1 1 26 26 LEU CG C 13 29.0 0.15 . 1 . . . . . . . . 4603 1 310 . 1 1 26 26 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 4603 1 311 . 1 1 26 26 LEU CD1 C 13 24.5 0.15 . 1 . . . . . . . . 4603 1 312 . 1 1 26 26 LEU CD2 C 13 24.7 0.15 . 1 . . . . . . . . 4603 1 313 . 1 1 26 26 LEU HD11 H 1 0.83 0.02 . 1 . . . . . . . . 4603 1 314 . 1 1 26 26 LEU HD12 H 1 0.83 0.02 . 1 . . . . . . . . 4603 1 315 . 1 1 26 26 LEU HD13 H 1 0.83 0.02 . 1 . . . . . . . . 4603 1 316 . 1 1 26 26 LEU HD21 H 1 0.83 0.02 . 1 . . . . . . . . 4603 1 317 . 1 1 26 26 LEU HD22 H 1 0.83 0.02 . 1 . . . . . . . . 4603 1 318 . 1 1 26 26 LEU HD23 H 1 0.83 0.02 . 1 . . . . . . . . 4603 1 319 . 1 1 26 26 LEU C C 13 176.3 0.15 . 1 . . . . . . . . 4603 1 320 . 1 1 27 27 ASP N N 15 115.9 0.2 . 1 . . . . . . . . 4603 1 321 . 1 1 27 27 ASP H H 1 7.95 0.02 . 1 . . . . . . . . 4603 1 322 . 1 1 27 27 ASP CA C 13 53.3 0.15 . 1 . . . . . . . . 4603 1 323 . 1 1 27 27 ASP HA H 1 5.08 0.02 . 1 . . . . . . . . 4603 1 324 . 1 1 27 27 ASP CB C 13 41.8 0.15 . 1 . . . . . . . . 4603 1 325 . 1 1 27 27 ASP HB2 H 1 3.04 0.02 . 2 . . . . . . . . 4603 1 326 . 1 1 27 27 ASP HB3 H 1 2.43 0.02 . 2 . . . . . . . . 4603 1 327 . 1 1 27 27 ASP C C 13 174.8 0.15 . 1 . . . . . . . . 4603 1 328 . 1 1 28 28 LEU N N 15 125.0 0.2 . 1 . . . . . . . . 4603 1 329 . 1 1 28 28 LEU H H 1 7.02 0.02 . 1 . . . . . . . . 4603 1 330 . 1 1 28 28 LEU CA C 13 55.8 0.15 . 1 . . . . . . . . 4603 1 331 . 1 1 28 28 LEU HA H 1 3.83 0.02 . 1 . . . . . . . . 4603 1 332 . 1 1 28 28 LEU CB C 13 43.6 0.15 . 1 . . . . . . . . 4603 1 333 . 1 1 28 28 LEU HB2 H 1 1.60 0.02 . 1 . . . . . . . . 4603 1 334 . 1 1 28 28 LEU HB3 H 1 1.60 0.02 . 1 . . . . . . . . 4603 1 335 . 1 1 28 28 LEU CG C 13 26.6 0.15 . 1 . . . . . . . . 4603 1 336 . 1 1 28 28 LEU HG H 1 1.42 0.02 . 1 . . . . . . . . 4603 1 337 . 1 1 28 28 LEU HD11 H 1 0.88 0.02 . 2 . . . . . . . . 4603 1 338 . 1 1 28 28 LEU HD12 H 1 0.88 0.02 . 2 . . . . . . . . 4603 1 339 . 1 1 28 28 LEU HD13 H 1 0.88 0.02 . 2 . . . . . . . . 4603 1 340 . 1 1 28 28 LEU HD21 H 1 0.74 0.02 . 2 . . . . . . . . 4603 1 341 . 1 1 28 28 LEU HD22 H 1 0.74 0.02 . 2 . . . . . . . . 4603 1 342 . 1 1 28 28 LEU HD23 H 1 0.74 0.02 . 2 . . . . . . . . 4603 1 343 . 1 1 28 28 LEU CD1 C 13 24.0 0.15 . 1 . . . . . . . . 4603 1 344 . 1 1 28 28 LEU CD2 C 13 26.5 0.15 . 1 . . . . . . . . 4603 1 345 . 1 1 28 28 LEU C C 13 174.4 0.15 . 1 . . . . . . . . 4603 1 346 . 1 1 29 29 ASN N N 15 122.3 0.2 . 1 . . . . . . . . 4603 1 347 . 1 1 29 29 ASN H H 1 8.62 0.02 . 1 . . . . . . . . 4603 1 348 . 1 1 29 29 ASN CA C 13 52.9 0.15 . 1 . . . . . . . . 4603 1 349 . 1 1 29 29 ASN HA H 1 5.18 0.02 . 1 . . . . . . . . 4603 1 350 . 1 1 29 29 ASN CB C 13 39.3 0.15 . 1 . . . . . . . . 4603 1 351 . 1 1 29 29 ASN HB2 H 1 3.01 0.02 . 2 . . . . . . . . 4603 1 352 . 1 1 29 29 ASN HB3 H 1 2.68 0.02 . 2 . . . . . . . . 4603 1 353 . 1 1 29 29 ASN ND2 N 15 117.1 0.2 . 1 . . . . . . . . 4603 1 354 . 1 1 29 29 ASN HD21 H 1 6.97 0.02 . 2 . . . . . . . . 4603 1 355 . 1 1 29 29 ASN HD22 H 1 8.01 0.02 . 2 . . . . . . . . 4603 1 356 . 1 1 29 29 ASN C C 13 177.0 0.15 . 1 . . . . . . . . 4603 1 357 . 1 1 30 30 LEU N N 15 128.1 0.2 . 1 . . . . . . . . 4603 1 358 . 1 1 30 30 LEU H H 1 9.23 0.02 . 1 . . . . . . . . 4603 1 359 . 1 1 30 30 LEU CA C 13 56.3 0.15 . 1 . . . . . . . . 4603 1 360 . 1 1 30 30 LEU HA H 1 3.69 0.02 . 1 . . . . . . . . 4603 1 361 . 1 1 30 30 LEU CB C 13 42.4 0.15 . 1 . . . . . . . . 4603 1 362 . 1 1 30 30 LEU HB2 H 1 0.96 0.02 . 1 . . . . . . . . 4603 1 363 . 1 1 30 30 LEU HB3 H 1 0.96 0.02 . 1 . . . . . . . . 4603 1 364 . 1 1 30 30 LEU CG C 13 26.9 0.15 . 1 . . . . . . . . 4603 1 365 . 1 1 30 30 LEU HG H 1 1.77 0.02 . 1 . . . . . . . . 4603 1 366 . 1 1 30 30 LEU HD11 H 1 0.69 0.02 . 2 . . . . . . . . 4603 1 367 . 1 1 30 30 LEU HD12 H 1 0.69 0.02 . 2 . . . . . . . . 4603 1 368 . 1 1 30 30 LEU HD13 H 1 0.69 0.02 . 2 . . . . . . . . 4603 1 369 . 1 1 30 30 LEU HD21 H 1 0.66 0.02 . 2 . . . . . . . . 4603 1 370 . 1 1 30 30 LEU HD22 H 1 0.66 0.02 . 2 . . . . . . . . 4603 1 371 . 1 1 30 30 LEU HD23 H 1 0.66 0.02 . 2 . . . . . . . . 4603 1 372 . 1 1 30 30 LEU CD1 C 13 23.5 0.15 . 1 . . . . . . . . 4603 1 373 . 1 1 30 30 LEU CD2 C 13 26.6 0.15 . 1 . . . . . . . . 4603 1 374 . 1 1 30 30 LEU C C 13 175.5 0.15 . 1 . . . . . . . . 4603 1 375 . 1 1 31 31 PHE N N 15 113.6 0.2 . 1 . . . . . . . . 4603 1 376 . 1 1 31 31 PHE H H 1 7.81 0.02 . 1 . . . . . . . . 4603 1 377 . 1 1 31 31 PHE CA C 13 58.4 0.15 . 1 . . . . . . . . 4603 1 378 . 1 1 31 31 PHE HA H 1 4.98 0.02 . 1 . . . . . . . . 4603 1 379 . 1 1 31 31 PHE CB C 13 39.8 0.15 . 1 . . . . . . . . 4603 1 380 . 1 1 31 31 PHE HB2 H 1 3.02 0.02 . 2 . . . . . . . . 4603 1 381 . 1 1 31 31 PHE HB3 H 1 3.37 0.02 . 2 . . . . . . . . 4603 1 382 . 1 1 31 31 PHE HD1 H 1 7.33 0.02 . 1 . . . . . . . . 4603 1 383 . 1 1 31 31 PHE HD2 H 1 7.33 0.02 . 1 . . . . . . . . 4603 1 384 . 1 1 31 31 PHE HE1 H 1 7.30 0.02 . 1 . . . . . . . . 4603 1 385 . 1 1 31 31 PHE HE2 H 1 7.30 0.02 . 1 . . . . . . . . 4603 1 386 . 1 1 31 31 PHE CD1 C 13 131.3 0.15 . 1 . . . . . . . . 4603 1 387 . 1 1 31 31 PHE CE1 C 13 130.9 0.15 . 1 . . . . . . . . 4603 1 388 . 1 1 31 31 PHE C C 13 179.7 0.15 . 1 . . . . . . . . 4603 1 389 . 1 1 32 32 GLU N N 15 123.3 0.2 . 1 . . . . . . . . 4603 1 390 . 1 1 32 32 GLU H H 1 8.89 0.02 . 1 . . . . . . . . 4603 1 391 . 1 1 32 32 GLU CA C 13 59.0 0.15 . 1 . . . . . . . . 4603 1 392 . 1 1 32 32 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 4603 1 393 . 1 1 32 32 GLU CB C 13 29.7 0.15 . 1 . . . . . . . . 4603 1 394 . 1 1 32 32 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 4603 1 395 . 1 1 32 32 GLU HB3 H 1 1.96 0.02 . 2 . . . . . . . . 4603 1 396 . 1 1 32 32 GLU CG C 13 36.0 0.15 . 1 . . . . . . . . 4603 1 397 . 1 1 32 32 GLU HG2 H 1 2.42 0.02 . 2 . . . . . . . . 4603 1 398 . 1 1 32 32 GLU HG3 H 1 2.34 0.02 . 2 . . . . . . . . 4603 1 399 . 1 1 32 32 GLU C C 13 179.7 0.15 . 1 . . . . . . . . 4603 1 400 . 1 1 33 33 THR N N 15 104.8 0.2 . 1 . . . . . . . . 4603 1 401 . 1 1 33 33 THR H H 1 7.57 0.02 . 1 . . . . . . . . 4603 1 402 . 1 1 33 33 THR CA C 13 61.4 0.15 . 1 . . . . . . . . 4603 1 403 . 1 1 33 33 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 4603 1 404 . 1 1 33 33 THR CB C 13 70.1 0.15 . 1 . . . . . . . . 4603 1 405 . 1 1 33 33 THR HB H 1 4.39 0.02 . 1 . . . . . . . . 4603 1 406 . 1 1 33 33 THR HG21 H 1 1.37 0.02 . 1 . . . . . . . . 4603 1 407 . 1 1 33 33 THR HG22 H 1 1.37 0.02 . 1 . . . . . . . . 4603 1 408 . 1 1 33 33 THR HG23 H 1 1.37 0.02 . 1 . . . . . . . . 4603 1 409 . 1 1 33 33 THR CG2 C 13 21.4 0.15 . 1 . . . . . . . . 4603 1 410 . 1 1 33 33 THR C C 13 176.1 0.15 . 1 . . . . . . . . 4603 1 411 . 1 1 34 34 GLY N N 15 108.2 0.2 . 1 . . . . . . . . 4603 1 412 . 1 1 34 34 GLY H H 1 7.46 0.02 . 1 . . . . . . . . 4603 1 413 . 1 1 34 34 GLY CA C 13 45.5 0.15 . 1 . . . . . . . . 4603 1 414 . 1 1 34 34 GLY HA3 H 1 4.09 0.02 . 2 . . . . . . . . 4603 1 415 . 1 1 34 34 GLY HA2 H 1 3.84 0.02 . 2 . . . . . . . . 4603 1 416 . 1 1 34 34 GLY C C 13 174.2 0.15 . 1 . . . . . . . . 4603 1 417 . 1 1 35 35 LEU N N 15 120.7 0.2 . 1 . . . . . . . . 4603 1 418 . 1 1 35 35 LEU H H 1 7.49 0.02 . 1 . . . . . . . . 4603 1 419 . 1 1 35 35 LEU CA C 13 57.0 0.15 . 1 . . . . . . . . 4603 1 420 . 1 1 35 35 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 4603 1 421 . 1 1 35 35 LEU CB C 13 42.1 0.15 . 1 . . . . . . . . 4603 1 422 . 1 1 35 35 LEU HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4603 1 423 . 1 1 35 35 LEU HB3 H 1 1.25 0.02 . 2 . . . . . . . . 4603 1 424 . 1 1 35 35 LEU CG C 13 27.1 0.15 . 1 . . . . . . . . 4603 1 425 . 1 1 35 35 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 4603 1 426 . 1 1 35 35 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 4603 1 427 . 1 1 35 35 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 4603 1 428 . 1 1 35 35 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 4603 1 429 . 1 1 35 35 LEU HD21 H 1 0.89 0.02 . 2 . . . . . . . . 4603 1 430 . 1 1 35 35 LEU HD22 H 1 0.89 0.02 . 2 . . . . . . . . 4603 1 431 . 1 1 35 35 LEU HD23 H 1 0.89 0.02 . 2 . . . . . . . . 4603 1 432 . 1 1 35 35 LEU CD1 C 13 25.6 0.15 . 1 . . . . . . . . 4603 1 433 . 1 1 35 35 LEU CD2 C 13 22.8 0.15 . 1 . . . . . . . . 4603 1 434 . 1 1 35 35 LEU C C 13 176.9 0.15 . 1 . . . . . . . . 4603 1 435 . 1 1 36 36 LEU N N 15 116.8 0.2 . 1 . . . . . . . . 4603 1 436 . 1 1 36 36 LEU H H 1 7.65 0.02 . 1 . . . . . . . . 4603 1 437 . 1 1 36 36 LEU CA C 13 52.8 0.15 . 1 . . . . . . . . 4603 1 438 . 1 1 36 36 LEU HA H 1 4.69 0.02 . 1 . . . . . . . . 4603 1 439 . 1 1 36 36 LEU CB C 13 45.6 0.15 . 1 . . . . . . . . 4603 1 440 . 1 1 36 36 LEU HB2 H 1 1.22 0.02 . 2 . . . . . . . . 4603 1 441 . 1 1 36 36 LEU HB3 H 1 0.84 0.02 . 2 . . . . . . . . 4603 1 442 . 1 1 36 36 LEU CG C 13 26.6 0.15 . 1 . . . . . . . . 4603 1 443 . 1 1 36 36 LEU HG H 1 1.37 0.02 . 1 . . . . . . . . 4603 1 444 . 1 1 36 36 LEU HD11 H 1 0.69 0.02 . 2 . . . . . . . . 4603 1 445 . 1 1 36 36 LEU HD12 H 1 0.69 0.02 . 2 . . . . . . . . 4603 1 446 . 1 1 36 36 LEU HD13 H 1 0.69 0.02 . 2 . . . . . . . . 4603 1 447 . 1 1 36 36 LEU HD21 H 1 0.71 0.02 . 2 . . . . . . . . 4603 1 448 . 1 1 36 36 LEU HD22 H 1 0.71 0.02 . 2 . . . . . . . . 4603 1 449 . 1 1 36 36 LEU HD23 H 1 0.71 0.02 . 2 . . . . . . . . 4603 1 450 . 1 1 36 36 LEU CD1 C 13 25.1 0.15 . 1 . . . . . . . . 4603 1 451 . 1 1 36 36 LEU CD2 C 13 24.6 0.15 . 1 . . . . . . . . 4603 1 452 . 1 1 36 36 LEU C C 13 175.0 0.15 . 1 . . . . . . . . 4603 1 453 . 1 1 37 37 ASP N N 15 122.2 0.2 . 1 . . . . . . . . 4603 1 454 . 1 1 37 37 ASP H H 1 7.79 0.02 . 1 . . . . . . . . 4603 1 455 . 1 1 37 37 ASP CA C 13 51.4 0.15 . 1 . . . . . . . . 4603 1 456 . 1 1 37 37 ASP HA H 1 4.84 0.02 . 1 . . . . . . . . 4603 1 457 . 1 1 37 37 ASP CB C 13 41.4 0.15 . 1 . . . . . . . . 4603 1 458 . 1 1 37 37 ASP HB2 H 1 3.30 0.02 . 2 . . . . . . . . 4603 1 459 . 1 1 37 37 ASP HB3 H 1 2.87 0.02 . 2 . . . . . . . . 4603 1 460 . 1 1 37 37 ASP C C 13 177.9 0.15 . 1 . . . . . . . . 4603 1 461 . 1 1 38 38 SER N N 15 117.0 0.2 . 1 . . . . . . . . 4603 1 462 . 1 1 38 38 SER H H 1 8.74 0.02 . 1 . . . . . . . . 4603 1 463 . 1 1 38 38 SER CA C 13 62.5 0.15 . 1 . . . . . . . . 4603 1 464 . 1 1 38 38 SER HA H 1 4.17 0.02 . 1 . . . . . . . . 4603 1 465 . 1 1 38 38 SER CB C 13 62.0 0.15 . 1 . . . . . . . . 4603 1 466 . 1 1 38 38 SER HB2 H 1 3.93 0.02 . 1 . . . . . . . . 4603 1 467 . 1 1 38 38 SER HB3 H 1 3.93 0.02 . 1 . . . . . . . . 4603 1 468 . 1 1 38 38 SER C C 13 176.8 0.15 . 1 . . . . . . . . 4603 1 469 . 1 1 39 39 MET N N 15 122.0 0.2 . 1 . . . . . . . . 4603 1 470 . 1 1 39 39 MET H H 1 8.18 0.02 . 1 . . . . . . . . 4603 1 471 . 1 1 39 39 MET CA C 13 57.8 0.15 . 1 . . . . . . . . 4603 1 472 . 1 1 39 39 MET HA H 1 4.35 0.02 . 1 . . . . . . . . 4603 1 473 . 1 1 39 39 MET CB C 13 31.6 0.15 . 1 . . . . . . . . 4603 1 474 . 1 1 39 39 MET HB2 H 1 2.19 0.02 . 2 . . . . . . . . 4603 1 475 . 1 1 39 39 MET HB3 H 1 2.21 0.02 . 2 . . . . . . . . 4603 1 476 . 1 1 39 39 MET CG C 13 32.2 0.15 . 1 . . . . . . . . 4603 1 477 . 1 1 39 39 MET HG2 H 1 2.69 0.02 . 2 . . . . . . . . 4603 1 478 . 1 1 39 39 MET HG3 H 1 2.60 0.02 . 2 . . . . . . . . 4603 1 479 . 1 1 39 39 MET HE1 H 1 2.09 0.02 . 1 . . . . . . . . 4603 1 480 . 1 1 39 39 MET HE2 H 1 2.09 0.02 . 1 . . . . . . . . 4603 1 481 . 1 1 39 39 MET HE3 H 1 2.09 0.02 . 1 . . . . . . . . 4603 1 482 . 1 1 39 39 MET CE C 13 16.8 0.15 . 1 . . . . . . . . 4603 1 483 . 1 1 39 39 MET C C 13 179.2 0.15 . 1 . . . . . . . . 4603 1 484 . 1 1 40 40 GLY N N 15 110.8 0.2 . 1 . . . . . . . . 4603 1 485 . 1 1 40 40 GLY H H 1 8.96 0.02 . 1 . . . . . . . . 4603 1 486 . 1 1 40 40 GLY CA C 13 46.8 0.15 . 1 . . . . . . . . 4603 1 487 . 1 1 40 40 GLY HA3 H 1 3.95 0.02 . 1 . . . . . . . . 4603 1 488 . 1 1 40 40 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 4603 1 489 . 1 1 40 40 GLY C C 13 175.6 0.15 . 1 . . . . . . . . 4603 1 490 . 1 1 41 41 THR N N 15 117.7 0.2 . 1 . . . . . . . . 4603 1 491 . 1 1 41 41 THR H H 1 8.18 0.02 . 1 . . . . . . . . 4603 1 492 . 1 1 41 41 THR CA C 13 67.3 0.15 . 1 . . . . . . . . 4603 1 493 . 1 1 41 41 THR HA H 1 3.71 0.02 . 1 . . . . . . . . 4603 1 494 . 1 1 41 41 THR CB C 13 67.8 0.15 . 1 . . . . . . . . 4603 1 495 . 1 1 41 41 THR HB H 1 4.19 0.02 . 1 . . . . . . . . 4603 1 496 . 1 1 41 41 THR HG21 H 1 0.79 0.02 . 1 . . . . . . . . 4603 1 497 . 1 1 41 41 THR HG22 H 1 0.79 0.02 . 1 . . . . . . . . 4603 1 498 . 1 1 41 41 THR HG23 H 1 0.79 0.02 . 1 . . . . . . . . 4603 1 499 . 1 1 41 41 THR CG2 C 13 20.7 0.15 . 1 . . . . . . . . 4603 1 500 . 1 1 41 41 THR C C 13 175.2 0.15 . 1 . . . . . . . . 4603 1 501 . 1 1 42 42 VAL N N 15 121.0 0.2 . 1 . . . . . . . . 4603 1 502 . 1 1 42 42 VAL H H 1 7.22 0.02 . 1 . . . . . . . . 4603 1 503 . 1 1 42 42 VAL CA C 13 66.6 0.15 . 1 . . . . . . . . 4603 1 504 . 1 1 42 42 VAL HA H 1 3.37 0.02 . 1 . . . . . . . . 4603 1 505 . 1 1 42 42 VAL CB C 13 31.4 0.15 . 1 . . . . . . . . 4603 1 506 . 1 1 42 42 VAL HB H 1 2.23 0.02 . 1 . . . . . . . . 4603 1 507 . 1 1 42 42 VAL HG11 H 1 1.03 0.02 . 2 . . . . . . . . 4603 1 508 . 1 1 42 42 VAL HG12 H 1 1.03 0.02 . 2 . . . . . . . . 4603 1 509 . 1 1 42 42 VAL HG13 H 1 1.03 0.02 . 2 . . . . . . . . 4603 1 510 . 1 1 42 42 VAL HG21 H 1 0.89 0.02 . 2 . . . . . . . . 4603 1 511 . 1 1 42 42 VAL HG22 H 1 0.89 0.02 . 2 . . . . . . . . 4603 1 512 . 1 1 42 42 VAL HG23 H 1 0.89 0.02 . 2 . . . . . . . . 4603 1 513 . 1 1 42 42 VAL CG1 C 13 22.5 0.15 . 1 . . . . . . . . 4603 1 514 . 1 1 42 42 VAL CG2 C 13 20.4 0.15 . 1 . . . . . . . . 4603 1 515 . 1 1 42 42 VAL C C 13 178.2 0.15 . 1 . . . . . . . . 4603 1 516 . 1 1 43 43 GLN N N 15 118.0 0.2 . 1 . . . . . . . . 4603 1 517 . 1 1 43 43 GLN H H 1 7.61 0.02 . 1 . . . . . . . . 4603 1 518 . 1 1 43 43 GLN CA C 13 58.4 0.15 . 1 . . . . . . . . 4603 1 519 . 1 1 43 43 GLN HA H 1 3.96 0.02 . 1 . . . . . . . . 4603 1 520 . 1 1 43 43 GLN CB C 13 27.9 0.15 . 1 . . . . . . . . 4603 1 521 . 1 1 43 43 GLN HB2 H 1 2.11 0.02 . 2 . . . . . . . . 4603 1 522 . 1 1 43 43 GLN HB3 H 1 2.22 0.02 . 2 . . . . . . . . 4603 1 523 . 1 1 43 43 GLN CG C 13 33.3 0.15 . 1 . . . . . . . . 4603 1 524 . 1 1 43 43 GLN HG2 H 1 2.47 0.02 . 1 . . . . . . . . 4603 1 525 . 1 1 43 43 GLN HG3 H 1 2.47 0.02 . 1 . . . . . . . . 4603 1 526 . 1 1 43 43 GLN NE2 N 15 111.9 0.2 . 1 . . . . . . . . 4603 1 527 . 1 1 43 43 GLN HE21 H 1 6.84 0.02 . 2 . . . . . . . . 4603 1 528 . 1 1 43 43 GLN HE22 H 1 7.50 0.02 . 2 . . . . . . . . 4603 1 529 . 1 1 43 43 GLN C C 13 177.8 0.15 . 1 . . . . . . . . 4603 1 530 . 1 1 44 44 LEU N N 15 120.5 0.2 . 1 . . . . . . . . 4603 1 531 . 1 1 44 44 LEU H H 1 8.50 0.02 . 1 . . . . . . . . 4603 1 532 . 1 1 44 44 LEU CA C 13 58.2 0.15 . 1 . . . . . . . . 4603 1 533 . 1 1 44 44 LEU HA H 1 3.82 0.02 . 1 . . . . . . . . 4603 1 534 . 1 1 44 44 LEU CB C 13 41.2 0.15 . 1 . . . . . . . . 4603 1 535 . 1 1 44 44 LEU HB2 H 1 2.29 0.02 . 1 . . . . . . . . 4603 1 536 . 1 1 44 44 LEU HB3 H 1 2.29 0.02 . 1 . . . . . . . . 4603 1 537 . 1 1 44 44 LEU CG C 13 27.2 0.15 . 1 . . . . . . . . 4603 1 538 . 1 1 44 44 LEU HG H 1 1.46 0.02 . 1 . . . . . . . . 4603 1 539 . 1 1 44 44 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 4603 1 540 . 1 1 44 44 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 4603 1 541 . 1 1 44 44 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 4603 1 542 . 1 1 44 44 LEU HD21 H 1 0.94 0.02 . 2 . . . . . . . . 4603 1 543 . 1 1 44 44 LEU HD22 H 1 0.94 0.02 . 2 . . . . . . . . 4603 1 544 . 1 1 44 44 LEU HD23 H 1 0.94 0.02 . 2 . . . . . . . . 4603 1 545 . 1 1 44 44 LEU CD1 C 13 25.7 0.15 . 1 . . . . . . . . 4603 1 546 . 1 1 44 44 LEU CD2 C 13 23.3 0.15 . 1 . . . . . . . . 4603 1 547 . 1 1 44 44 LEU C C 13 177.6 0.15 . 1 . . . . . . . . 4603 1 548 . 1 1 45 45 LEU N N 15 117.6 0.2 . 1 . . . . . . . . 4603 1 549 . 1 1 45 45 LEU H H 1 7.94 0.02 . 1 . . . . . . . . 4603 1 550 . 1 1 45 45 LEU CA C 13 58.0 0.15 . 1 . . . . . . . . 4603 1 551 . 1 1 45 45 LEU HA H 1 3.76 0.02 . 1 . . . . . . . . 4603 1 552 . 1 1 45 45 LEU CB C 13 40.1 0.15 . 1 . . . . . . . . 4603 1 553 . 1 1 45 45 LEU HB2 H 1 1.69 0.02 . 2 . . . . . . . . 4603 1 554 . 1 1 45 45 LEU HB3 H 1 1.30 0.02 . 2 . . . . . . . . 4603 1 555 . 1 1 45 45 LEU CG C 13 26.6 0.15 . 1 . . . . . . . . 4603 1 556 . 1 1 45 45 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . 4603 1 557 . 1 1 45 45 LEU HD11 H 1 0.19 0.02 . 2 . . . . . . . . 4603 1 558 . 1 1 45 45 LEU HD12 H 1 0.19 0.02 . 2 . . . . . . . . 4603 1 559 . 1 1 45 45 LEU HD13 H 1 0.19 0.02 . 2 . . . . . . . . 4603 1 560 . 1 1 45 45 LEU HD21 H 1 0.04 0.02 . 2 . . . . . . . . 4603 1 561 . 1 1 45 45 LEU HD22 H 1 0.04 0.02 . 2 . . . . . . . . 4603 1 562 . 1 1 45 45 LEU HD23 H 1 0.04 0.02 . 2 . . . . . . . . 4603 1 563 . 1 1 45 45 LEU CD1 C 13 24.1 0.15 . 1 . . . . . . . . 4603 1 564 . 1 1 45 45 LEU CD2 C 13 20.8 0.15 . 1 . . . . . . . . 4603 1 565 . 1 1 45 45 LEU C C 13 179.9 0.15 . 1 . . . . . . . . 4603 1 566 . 1 1 46 46 LEU N N 15 120.7 0.2 . 1 . . . . . . . . 4603 1 567 . 1 1 46 46 LEU H H 1 7.97 0.02 . 1 . . . . . . . . 4603 1 568 . 1 1 46 46 LEU CA C 13 58.0 0.15 . 1 . . . . . . . . 4603 1 569 . 1 1 46 46 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 4603 1 570 . 1 1 46 46 LEU CB C 13 41.2 0.15 . 1 . . . . . . . . 4603 1 571 . 1 1 46 46 LEU HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4603 1 572 . 1 1 46 46 LEU HB3 H 1 1.61 0.02 . 2 . . . . . . . . 4603 1 573 . 1 1 46 46 LEU CG C 13 26.5 0.15 . 1 . . . . . . . . 4603 1 574 . 1 1 46 46 LEU HG H 1 1.79 0.02 . 1 . . . . . . . . 4603 1 575 . 1 1 46 46 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 4603 1 576 . 1 1 46 46 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 4603 1 577 . 1 1 46 46 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 4603 1 578 . 1 1 46 46 LEU HD21 H 1 0.85 0.02 . 2 . . . . . . . . 4603 1 579 . 1 1 46 46 LEU HD22 H 1 0.85 0.02 . 2 . . . . . . . . 4603 1 580 . 1 1 46 46 LEU HD23 H 1 0.85 0.02 . 2 . . . . . . . . 4603 1 581 . 1 1 46 46 LEU CD1 C 13 24.9 0.15 . 1 . . . . . . . . 4603 1 582 . 1 1 46 46 LEU CD2 C 13 22.8 0.15 . 1 . . . . . . . . 4603 1 583 . 1 1 46 46 LEU C C 13 180.2 0.15 . 1 . . . . . . . . 4603 1 584 . 1 1 47 47 GLU N N 15 120.7 0.2 . 1 . . . . . . . . 4603 1 585 . 1 1 47 47 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 4603 1 586 . 1 1 47 47 GLU CA C 13 58.9 0.15 . 1 . . . . . . . . 4603 1 587 . 1 1 47 47 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . 4603 1 588 . 1 1 47 47 GLU CB C 13 28.8 0.15 . 1 . . . . . . . . 4603 1 589 . 1 1 47 47 GLU HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4603 1 590 . 1 1 47 47 GLU HB3 H 1 2.16 0.02 . 2 . . . . . . . . 4603 1 591 . 1 1 47 47 GLU CG C 13 34.7 0.15 . 1 . . . . . . . . 4603 1 592 . 1 1 47 47 GLU HG2 H 1 2.54 0.02 . 1 . . . . . . . . 4603 1 593 . 1 1 47 47 GLU HG3 H 1 2.54 0.02 . 1 . . . . . . . . 4603 1 594 . 1 1 47 47 GLU C C 13 179.4 0.15 . 1 . . . . . . . . 4603 1 595 . 1 1 48 48 LEU N N 15 118.4 0.2 . 1 . . . . . . . . 4603 1 596 . 1 1 48 48 LEU H H 1 8.93 0.02 . 1 . . . . . . . . 4603 1 597 . 1 1 48 48 LEU CA C 13 57.7 0.15 . 1 . . . . . . . . 4603 1 598 . 1 1 48 48 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 4603 1 599 . 1 1 48 48 LEU CB C 13 41.0 0.15 . 1 . . . . . . . . 4603 1 600 . 1 1 48 48 LEU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 4603 1 601 . 1 1 48 48 LEU HB3 H 1 1.41 0.02 . 2 . . . . . . . . 4603 1 602 . 1 1 48 48 LEU CG C 13 26.3 0.15 . 1 . . . . . . . . 4603 1 603 . 1 1 48 48 LEU HG H 1 0.99 0.02 . 1 . . . . . . . . 4603 1 604 . 1 1 48 48 LEU CD1 C 13 22.3 0.15 . 1 . . . . . . . . 4603 1 605 . 1 1 48 48 LEU CD2 C 13 22.3 0.15 . 1 . . . . . . . . 4603 1 606 . 1 1 48 48 LEU HD11 H 1 0.97 0.02 . 1 . . . . . . . . 4603 1 607 . 1 1 48 48 LEU HD12 H 1 0.97 0.02 . 1 . . . . . . . . 4603 1 608 . 1 1 48 48 LEU HD13 H 1 0.97 0.02 . 1 . . . . . . . . 4603 1 609 . 1 1 48 48 LEU HD21 H 1 0.97 0.02 . 1 . . . . . . . . 4603 1 610 . 1 1 48 48 LEU HD22 H 1 0.97 0.02 . 1 . . . . . . . . 4603 1 611 . 1 1 48 48 LEU HD23 H 1 0.97 0.02 . 1 . . . . . . . . 4603 1 612 . 1 1 48 48 LEU C C 13 180.2 0.15 . 1 . . . . . . . . 4603 1 613 . 1 1 49 49 GLN N N 15 121.5 0.2 . 1 . . . . . . . . 4603 1 614 . 1 1 49 49 GLN H H 1 8.28 0.02 . 1 . . . . . . . . 4603 1 615 . 1 1 49 49 GLN CA C 13 59.5 0.15 . 1 . . . . . . . . 4603 1 616 . 1 1 49 49 GLN HA H 1 4.33 0.02 . 1 . . . . . . . . 4603 1 617 . 1 1 49 49 GLN CB C 13 28.5 0.15 . 1 . . . . . . . . 4603 1 618 . 1 1 49 49 GLN HB2 H 1 2.31 0.02 . 1 . . . . . . . . 4603 1 619 . 1 1 49 49 GLN HB3 H 1 2.31 0.02 . 1 . . . . . . . . 4603 1 620 . 1 1 49 49 GLN CG C 13 33.6 0.15 . 1 . . . . . . . . 4603 1 621 . 1 1 49 49 GLN HG2 H 1 2.46 0.02 . 1 . . . . . . . . 4603 1 622 . 1 1 49 49 GLN HG3 H 1 2.46 0.02 . 1 . . . . . . . . 4603 1 623 . 1 1 49 49 GLN NE2 N 15 111.0 0.2 . 1 . . . . . . . . 4603 1 624 . 1 1 49 49 GLN HE21 H 1 6.73 0.02 . 2 . . . . . . . . 4603 1 625 . 1 1 49 49 GLN HE22 H 1 7.48 0.02 . 2 . . . . . . . . 4603 1 626 . 1 1 49 49 GLN C C 13 178.6 0.15 . 1 . . . . . . . . 4603 1 627 . 1 1 50 50 SER N N 15 114.5 0.2 . 1 . . . . . . . . 4603 1 628 . 1 1 50 50 SER H H 1 8.25 0.02 . 1 . . . . . . . . 4603 1 629 . 1 1 50 50 SER CA C 13 60.9 0.15 . 1 . . . . . . . . 4603 1 630 . 1 1 50 50 SER HA H 1 4.16 0.02 . 1 . . . . . . . . 4603 1 631 . 1 1 50 50 SER CB C 13 62.9 0.15 . 1 . . . . . . . . 4603 1 632 . 1 1 50 50 SER HB2 H 1 3.98 0.02 . 1 . . . . . . . . 4603 1 633 . 1 1 50 50 SER HB3 H 1 3.98 0.02 . 1 . . . . . . . . 4603 1 634 . 1 1 50 50 SER C C 13 176.5 0.15 . 1 . . . . . . . . 4603 1 635 . 1 1 51 51 GLN N N 15 116.4 0.2 . 1 . . . . . . . . 4603 1 636 . 1 1 51 51 GLN H H 1 8.56 0.02 . 1 . . . . . . . . 4603 1 637 . 1 1 51 51 GLN CA C 13 57.8 0.15 . 1 . . . . . . . . 4603 1 638 . 1 1 51 51 GLN HA H 1 4.07 0.02 . 1 . . . . . . . . 4603 1 639 . 1 1 51 51 GLN CB C 13 29.5 0.15 . 1 . . . . . . . . 4603 1 640 . 1 1 51 51 GLN HB2 H 1 1.28 0.02 . 2 . . . . . . . . 4603 1 641 . 1 1 51 51 GLN HB3 H 1 1.59 0.02 . 2 . . . . . . . . 4603 1 642 . 1 1 51 51 GLN CG C 13 33.7 0.15 . 1 . . . . . . . . 4603 1 643 . 1 1 51 51 GLN HG2 H 1 1.91 0.02 . 2 . . . . . . . . 4603 1 644 . 1 1 51 51 GLN HG3 H 1 2.10 0.02 . 2 . . . . . . . . 4603 1 645 . 1 1 51 51 GLN NE2 N 15 111.7 0.2 . 1 . . . . . . . . 4603 1 646 . 1 1 51 51 GLN HE21 H 1 7.49 0.02 . 2 . . . . . . . . 4603 1 647 . 1 1 51 51 GLN HE22 H 1 6.69 0.02 . 2 . . . . . . . . 4603 1 648 . 1 1 51 51 GLN C C 13 177.2 0.15 . 1 . . . . . . . . 4603 1 649 . 1 1 52 52 PHE N N 15 112.5 0.2 . 1 . . . . . . . . 4603 1 650 . 1 1 52 52 PHE H H 1 7.57 0.02 . 1 . . . . . . . . 4603 1 651 . 1 1 52 52 PHE CA C 13 56.9 0.15 . 1 . . . . . . . . 4603 1 652 . 1 1 52 52 PHE HA H 1 5.11 0.02 . 1 . . . . . . . . 4603 1 653 . 1 1 52 52 PHE CB C 13 42.2 0.15 . 1 . . . . . . . . 4603 1 654 . 1 1 52 52 PHE HB2 H 1 3.51 0.02 . 2 . . . . . . . . 4603 1 655 . 1 1 52 52 PHE HB3 H 1 2.89 0.02 . 2 . . . . . . . . 4603 1 656 . 1 1 52 52 PHE HD1 H 1 7.27 0.02 . 1 . . . . . . . . 4603 1 657 . 1 1 52 52 PHE HD2 H 1 7.27 0.02 . 1 . . . . . . . . 4603 1 658 . 1 1 52 52 PHE HE1 H 1 7.26 0.02 . 1 . . . . . . . . 4603 1 659 . 1 1 52 52 PHE HE2 H 1 7.26 0.02 . 1 . . . . . . . . 4603 1 660 . 1 1 52 52 PHE CD1 C 13 130.9 0.15 . 1 . . . . . . . . 4603 1 661 . 1 1 52 52 PHE CE1 C 13 132.1 0.15 . 1 . . . . . . . . 4603 1 662 . 1 1 52 52 PHE CZ C 13 129.2 0.15 . 1 . . . . . . . . 4603 1 663 . 1 1 52 52 PHE HZ H 1 7.20 0.02 . 1 . . . . . . . . 4603 1 664 . 1 1 52 52 PHE C C 13 176.1 0.15 . 1 . . . . . . . . 4603 1 665 . 1 1 53 53 GLY N N 15 108.9 0.2 . 1 . . . . . . . . 4603 1 666 . 1 1 53 53 GLY H H 1 7.75 0.02 . 1 . . . . . . . . 4603 1 667 . 1 1 53 53 GLY CA C 13 46.4 0.15 . 1 . . . . . . . . 4603 1 668 . 1 1 53 53 GLY HA3 H 1 4.08 0.02 . 2 . . . . . . . . 4603 1 669 . 1 1 53 53 GLY HA2 H 1 4.04 0.02 . 2 . . . . . . . . 4603 1 670 . 1 1 53 53 GLY C C 13 174.1 0.15 . 1 . . . . . . . . 4603 1 671 . 1 1 54 54 VAL N N 15 118.7 0.2 . 1 . . . . . . . . 4603 1 672 . 1 1 54 54 VAL H H 1 7.04 0.02 . 1 . . . . . . . . 4603 1 673 . 1 1 54 54 VAL CA C 13 61.8 0.15 . 1 . . . . . . . . 4603 1 674 . 1 1 54 54 VAL HA H 1 3.95 0.02 . 1 . . . . . . . . 4603 1 675 . 1 1 54 54 VAL CB C 13 32.2 0.15 . 1 . . . . . . . . 4603 1 676 . 1 1 54 54 VAL HB H 1 1.84 0.02 . 1 . . . . . . . . 4603 1 677 . 1 1 54 54 VAL HG11 H 1 1.01 0.02 . 2 . . . . . . . . 4603 1 678 . 1 1 54 54 VAL HG12 H 1 1.01 0.02 . 2 . . . . . . . . 4603 1 679 . 1 1 54 54 VAL HG13 H 1 1.01 0.02 . 2 . . . . . . . . 4603 1 680 . 1 1 54 54 VAL HG21 H 1 1.03 0.02 . 2 . . . . . . . . 4603 1 681 . 1 1 54 54 VAL HG22 H 1 1.03 0.02 . 2 . . . . . . . . 4603 1 682 . 1 1 54 54 VAL HG23 H 1 1.03 0.02 . 2 . . . . . . . . 4603 1 683 . 1 1 54 54 VAL CG1 C 13 22.5 0.15 . 1 . . . . . . . . 4603 1 684 . 1 1 54 54 VAL CG2 C 13 20.8 0.15 . 1 . . . . . . . . 4603 1 685 . 1 1 54 54 VAL C C 13 177.4 0.15 . 1 . . . . . . . . 4603 1 686 . 1 1 55 55 ASP N N 15 127.4 0.2 . 1 . . . . . . . . 4603 1 687 . 1 1 55 55 ASP H H 1 8.74 0.02 . 1 . . . . . . . . 4603 1 688 . 1 1 55 55 ASP CA C 13 53.2 0.15 . 1 . . . . . . . . 4603 1 689 . 1 1 55 55 ASP HA H 1 4.70 0.02 . 1 . . . . . . . . 4603 1 690 . 1 1 55 55 ASP CB C 13 41.0 0.15 . 1 . . . . . . . . 4603 1 691 . 1 1 55 55 ASP HB2 H 1 2.77 0.02 . 2 . . . . . . . . 4603 1 692 . 1 1 55 55 ASP HB3 H 1 2.59 0.02 . 2 . . . . . . . . 4603 1 693 . 1 1 55 55 ASP C C 13 175.1 0.15 . 1 . . . . . . . . 4603 1 694 . 1 1 56 56 ALA N N 15 127.2 0.2 . 1 . . . . . . . . 4603 1 695 . 1 1 56 56 ALA H H 1 8.12 0.02 . 1 . . . . . . . . 4603 1 696 . 1 1 56 56 ALA CA C 13 49.6 0.15 . 1 . . . . . . . . 4603 1 697 . 1 1 56 56 ALA HA H 1 4.67 0.02 . 1 . . . . . . . . 4603 1 698 . 1 1 56 56 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 4603 1 699 . 1 1 56 56 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 4603 1 700 . 1 1 56 56 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 4603 1 701 . 1 1 56 56 ALA CB C 13 18.8 0.15 . 1 . . . . . . . . 4603 1 702 . 1 1 56 56 ALA C C 13 174.4 0.15 . 1 . . . . . . . . 4603 1 703 . 1 1 57 57 PRO CD C 13 50.1 0.15 . 1 . . . . . . . . 4603 1 704 . 1 1 57 57 PRO CA C 13 62.4 0.15 . 1 . . . . . . . . 4603 1 705 . 1 1 57 57 PRO HA H 1 4.50 0.02 . 1 . . . . . . . . 4603 1 706 . 1 1 57 57 PRO CB C 13 31.4 0.15 . 1 . . . . . . . . 4603 1 707 . 1 1 57 57 PRO HB2 H 1 2.29 0.02 . 2 . . . . . . . . 4603 1 708 . 1 1 57 57 PRO HB3 H 1 1.93 0.02 . 2 . . . . . . . . 4603 1 709 . 1 1 57 57 PRO CG C 13 27.0 0.15 . 1 . . . . . . . . 4603 1 710 . 1 1 57 57 PRO HG2 H 1 1.98 0.02 . 2 . . . . . . . . 4603 1 711 . 1 1 57 57 PRO HG3 H 1 1.93 0.02 . 2 . . . . . . . . 4603 1 712 . 1 1 57 57 PRO HD2 H 1 3.73 0.02 . 2 . . . . . . . . 4603 1 713 . 1 1 57 57 PRO HD3 H 1 3.52 0.02 . 2 . . . . . . . . 4603 1 714 . 1 1 57 57 PRO C C 13 177.3 0.15 . 1 . . . . . . . . 4603 1 715 . 1 1 58 58 VAL N N 15 122.1 0.2 . 1 . . . . . . . . 4603 1 716 . 1 1 58 58 VAL H H 1 8.38 0.02 . 1 . . . . . . . . 4603 1 717 . 1 1 58 58 VAL CA C 13 64.1 0.15 . 1 . . . . . . . . 4603 1 718 . 1 1 58 58 VAL HA H 1 3.79 0.02 . 1 . . . . . . . . 4603 1 719 . 1 1 58 58 VAL CB C 13 31.6 0.15 . 1 . . . . . . . . 4603 1 720 . 1 1 58 58 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 4603 1 721 . 1 1 58 58 VAL CG1 C 13 20.6 0.15 . 1 . . . . . . . . 4603 1 722 . 1 1 58 58 VAL CG2 C 13 20.6 0.15 . 1 . . . . . . . . 4603 1 723 . 1 1 58 58 VAL HG11 H 1 0.90 0.02 . 1 . . . . . . . . 4603 1 724 . 1 1 58 58 VAL HG12 H 1 0.90 0.02 . 1 . . . . . . . . 4603 1 725 . 1 1 58 58 VAL HG13 H 1 0.90 0.02 . 1 . . . . . . . . 4603 1 726 . 1 1 58 58 VAL HG21 H 1 0.90 0.02 . 1 . . . . . . . . 4603 1 727 . 1 1 58 58 VAL HG22 H 1 0.90 0.02 . 1 . . . . . . . . 4603 1 728 . 1 1 58 58 VAL HG23 H 1 0.90 0.02 . 1 . . . . . . . . 4603 1 729 . 1 1 58 58 VAL C C 13 175.6 0.15 . 1 . . . . . . . . 4603 1 730 . 1 1 59 59 SER N N 15 114.9 0.2 . 1 . . . . . . . . 4603 1 731 . 1 1 59 59 SER H H 1 8.18 0.02 . 1 . . . . . . . . 4603 1 732 . 1 1 59 59 SER CA C 13 59.2 0.15 . 1 . . . . . . . . 4603 1 733 . 1 1 59 59 SER HA H 1 4.31 0.02 . 1 . . . . . . . . 4603 1 734 . 1 1 59 59 SER CB C 13 62.8 0.15 . 1 . . . . . . . . 4603 1 735 . 1 1 59 59 SER HB2 H 1 3.97 0.02 . 2 . . . . . . . . 4603 1 736 . 1 1 59 59 SER HB3 H 1 3.88 0.02 . 2 . . . . . . . . 4603 1 737 . 1 1 59 59 SER C C 13 174.8 0.15 . 1 . . . . . . . . 4603 1 738 . 1 1 60 60 GLU N N 15 119.4 0.2 . 1 . . . . . . . . 4603 1 739 . 1 1 60 60 GLU H H 1 7.73 0.02 . 1 . . . . . . . . 4603 1 740 . 1 1 60 60 GLU CA C 13 55.5 0.15 . 1 . . . . . . . . 4603 1 741 . 1 1 60 60 GLU HA H 1 4.39 0.02 . 1 . . . . . . . . 4603 1 742 . 1 1 60 60 GLU CB C 13 29.8 0.15 . 1 . . . . . . . . 4603 1 743 . 1 1 60 60 GLU HB2 H 1 2.22 0.02 . 2 . . . . . . . . 4603 1 744 . 1 1 60 60 GLU HB3 H 1 1.85 0.02 . 2 . . . . . . . . 4603 1 745 . 1 1 60 60 GLU CG C 13 35.7 0.15 . 1 . . . . . . . . 4603 1 746 . 1 1 60 60 GLU HG2 H 1 2.22 0.02 . 1 . . . . . . . . 4603 1 747 . 1 1 60 60 GLU HG3 H 1 2.22 0.02 . 1 . . . . . . . . 4603 1 748 . 1 1 60 60 GLU C C 13 174.1 0.15 . 1 . . . . . . . . 4603 1 749 . 1 1 61 61 PHE N N 15 122.6 0.2 . 1 . . . . . . . . 4603 1 750 . 1 1 61 61 PHE H H 1 7.73 0.02 . 1 . . . . . . . . 4603 1 751 . 1 1 61 61 PHE CA C 13 58.6 0.15 . 1 . . . . . . . . 4603 1 752 . 1 1 61 61 PHE HA H 1 4.23 0.02 . 1 . . . . . . . . 4603 1 753 . 1 1 61 61 PHE CB C 13 39.5 0.15 . 1 . . . . . . . . 4603 1 754 . 1 1 61 61 PHE HB2 H 1 2.91 0.02 . 1 . . . . . . . . 4603 1 755 . 1 1 61 61 PHE HB3 H 1 2.91 0.02 . 1 . . . . . . . . 4603 1 756 . 1 1 61 61 PHE HD1 H 1 6.76 0.02 . 1 . . . . . . . . 4603 1 757 . 1 1 61 61 PHE HD2 H 1 6.76 0.02 . 1 . . . . . . . . 4603 1 758 . 1 1 61 61 PHE HE1 H 1 6.47 0.02 . 1 . . . . . . . . 4603 1 759 . 1 1 61 61 PHE HE2 H 1 6.47 0.02 . 1 . . . . . . . . 4603 1 760 . 1 1 61 61 PHE CD1 C 13 130.5 0.15 . 1 . . . . . . . . 4603 1 761 . 1 1 61 61 PHE CE1 C 13 130.5 0.15 . 1 . . . . . . . . 4603 1 762 . 1 1 61 61 PHE CZ C 13 128.0 0.15 . 1 . . . . . . . . 4603 1 763 . 1 1 61 61 PHE HZ H 1 6.73 0.02 . 1 . . . . . . . . 4603 1 764 . 1 1 61 61 PHE C C 13 176.6 0.15 . 1 . . . . . . . . 4603 1 765 . 1 1 62 62 ASP N N 15 127.5 0.2 . 1 . . . . . . . . 4603 1 766 . 1 1 62 62 ASP H H 1 8.03 0.02 . 1 . . . . . . . . 4603 1 767 . 1 1 62 62 ASP CA C 13 51.9 0.15 . 1 . . . . . . . . 4603 1 768 . 1 1 62 62 ASP HA H 1 4.64 0.02 . 1 . . . . . . . . 4603 1 769 . 1 1 62 62 ASP CB C 13 41.3 0.15 . 1 . . . . . . . . 4603 1 770 . 1 1 62 62 ASP HB2 H 1 2.78 0.02 . 2 . . . . . . . . 4603 1 771 . 1 1 62 62 ASP HB3 H 1 2.48 0.02 . 2 . . . . . . . . 4603 1 772 . 1 1 62 62 ASP C C 13 177.2 0.15 . 1 . . . . . . . . 4603 1 773 . 1 1 63 63 ARG N N 15 125.6 0.2 . 1 . . . . . . . . 4603 1 774 . 1 1 63 63 ARG H H 1 8.63 0.02 . 1 . . . . . . . . 4603 1 775 . 1 1 63 63 ARG CA C 13 59.5 0.15 . 1 . . . . . . . . 4603 1 776 . 1 1 63 63 ARG HA H 1 3.54 0.02 . 1 . . . . . . . . 4603 1 777 . 1 1 63 63 ARG CB C 13 29.8 0.15 . 1 . . . . . . . . 4603 1 778 . 1 1 63 63 ARG HB2 H 1 1.58 0.02 . 1 . . . . . . . . 4603 1 779 . 1 1 63 63 ARG HB3 H 1 1.58 0.02 . 1 . . . . . . . . 4603 1 780 . 1 1 63 63 ARG CG C 13 26.5 0.15 . 1 . . . . . . . . 4603 1 781 . 1 1 63 63 ARG HG2 H 1 1.37 0.02 . 2 . . . . . . . . 4603 1 782 . 1 1 63 63 ARG HG3 H 1 1.21 0.02 . 2 . . . . . . . . 4603 1 783 . 1 1 63 63 ARG CD C 13 43.2 0.15 . 1 . . . . . . . . 4603 1 784 . 1 1 63 63 ARG HD2 H 1 2.49 0.02 . 1 . . . . . . . . 4603 1 785 . 1 1 63 63 ARG HD3 H 1 2.49 0.02 . 1 . . . . . . . . 4603 1 786 . 1 1 63 63 ARG NE N 15 84.9 0.2 . 1 . . . . . . . . 4603 1 787 . 1 1 63 63 ARG HE H 1 6.96 0.02 . 1 . . . . . . . . 4603 1 788 . 1 1 63 63 ARG C C 13 177.5 0.15 . 1 . . . . . . . . 4603 1 789 . 1 1 64 64 LYS N N 15 115.5 0.2 . 1 . . . . . . . . 4603 1 790 . 1 1 64 64 LYS H H 1 7.98 0.02 . 1 . . . . . . . . 4603 1 791 . 1 1 64 64 LYS CA C 13 58.0 0.15 . 1 . . . . . . . . 4603 1 792 . 1 1 64 64 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 4603 1 793 . 1 1 64 64 LYS CB C 13 31.2 0.15 . 1 . . . . . . . . 4603 1 794 . 1 1 64 64 LYS HB2 H 1 1.81 0.02 . 1 . . . . . . . . 4603 1 795 . 1 1 64 64 LYS HB3 H 1 1.81 0.02 . 1 . . . . . . . . 4603 1 796 . 1 1 64 64 LYS CG C 13 24.7 0.15 . 1 . . . . . . . . 4603 1 797 . 1 1 64 64 LYS HG2 H 1 1.43 0.02 . 1 . . . . . . . . 4603 1 798 . 1 1 64 64 LYS HG3 H 1 1.43 0.02 . 1 . . . . . . . . 4603 1 799 . 1 1 64 64 LYS CD C 13 28.7 0.15 . 1 . . . . . . . . 4603 1 800 . 1 1 64 64 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 4603 1 801 . 1 1 64 64 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 4603 1 802 . 1 1 64 64 LYS CE C 13 41.4 0.15 . 1 . . . . . . . . 4603 1 803 . 1 1 64 64 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4603 1 804 . 1 1 64 64 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4603 1 805 . 1 1 64 64 LYS C C 13 176.0 0.15 . 1 . . . . . . . . 4603 1 806 . 1 1 65 65 GLU N N 15 114.3 0.2 . 1 . . . . . . . . 4603 1 807 . 1 1 65 65 GLU H H 1 7.75 0.02 . 1 . . . . . . . . 4603 1 808 . 1 1 65 65 GLU CA C 13 56.1 0.15 . 1 . . . . . . . . 4603 1 809 . 1 1 65 65 GLU HA H 1 4.21 0.02 . 1 . . . . . . . . 4603 1 810 . 1 1 65 65 GLU CB C 13 30.3 0.15 . 1 . . . . . . . . 4603 1 811 . 1 1 65 65 GLU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 4603 1 812 . 1 1 65 65 GLU HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4603 1 813 . 1 1 65 65 GLU CG C 13 36.5 0.15 . 1 . . . . . . . . 4603 1 814 . 1 1 65 65 GLU HG2 H 1 2.08 0.02 . 2 . . . . . . . . 4603 1 815 . 1 1 65 65 GLU HG3 H 1 2.27 0.02 . 2 . . . . . . . . 4603 1 816 . 1 1 65 65 GLU C C 13 174.7 0.15 . 1 . . . . . . . . 4603 1 817 . 1 1 66 66 TRP N N 15 117.4 0.2 . 1 . . . . . . . . 4603 1 818 . 1 1 66 66 TRP H H 1 7.65 0.02 . 1 . . . . . . . . 4603 1 819 . 1 1 66 66 TRP CA C 13 55.7 0.15 . 1 . . . . . . . . 4603 1 820 . 1 1 66 66 TRP HA H 1 4.54 0.02 . 1 . . . . . . . . 4603 1 821 . 1 1 66 66 TRP CB C 13 31.1 0.15 . 1 . . . . . . . . 4603 1 822 . 1 1 66 66 TRP HB2 H 1 2.54 0.02 . 2 . . . . . . . . 4603 1 823 . 1 1 66 66 TRP HB3 H 1 3.88 0.02 . 2 . . . . . . . . 4603 1 824 . 1 1 66 66 TRP CD1 C 13 128.8 0.15 . 1 . . . . . . . . 4603 1 825 . 1 1 66 66 TRP CE3 C 13 118.9 0.15 . 1 . . . . . . . . 4603 1 826 . 1 1 66 66 TRP NE1 N 15 128.9 0.2 . 1 . . . . . . . . 4603 1 827 . 1 1 66 66 TRP HD1 H 1 7.13 0.02 . 1 . . . . . . . . 4603 1 828 . 1 1 66 66 TRP HE3 H 1 7.51 0.02 . 1 . . . . . . . . 4603 1 829 . 1 1 66 66 TRP CZ3 C 13 120.5 0.15 . 1 . . . . . . . . 4603 1 830 . 1 1 66 66 TRP CZ2 C 13 114.3 0.15 . 1 . . . . . . . . 4603 1 831 . 1 1 66 66 TRP HE1 H 1 10.22 0.02 . 1 . . . . . . . . 4603 1 832 . 1 1 66 66 TRP HZ3 H 1 6.80 0.02 . 1 . . . . . . . . 4603 1 833 . 1 1 66 66 TRP CH2 C 13 123.0 0.15 . 1 . . . . . . . . 4603 1 834 . 1 1 66 66 TRP HZ2 H 1 7.47 0.02 . 1 . . . . . . . . 4603 1 835 . 1 1 66 66 TRP HH2 H 1 6.89 0.02 . 1 . . . . . . . . 4603 1 836 . 1 1 66 66 TRP C C 13 175.5 0.15 . 1 . . . . . . . . 4603 1 837 . 1 1 67 67 ASP N N 15 111.8 0.2 . 1 . . . . . . . . 4603 1 838 . 1 1 67 67 ASP H H 1 7.11 0.02 . 1 . . . . . . . . 4603 1 839 . 1 1 67 67 ASP CA C 13 55.2 0.15 . 1 . . . . . . . . 4603 1 840 . 1 1 67 67 ASP HA H 1 4.50 0.02 . 1 . . . . . . . . 4603 1 841 . 1 1 67 67 ASP CB C 13 41.4 0.15 . 1 . . . . . . . . 4603 1 842 . 1 1 67 67 ASP HB2 H 1 3.37 0.02 . 2 . . . . . . . . 4603 1 843 . 1 1 67 67 ASP HB3 H 1 3.13 0.02 . 2 . . . . . . . . 4603 1 844 . 1 1 67 67 ASP C C 13 175.5 0.15 . 1 . . . . . . . . 4603 1 845 . 1 1 68 68 THR N N 15 107.1 0.2 . 1 . . . . . . . . 4603 1 846 . 1 1 68 68 THR H H 1 7.24 0.02 . 1 . . . . . . . . 4603 1 847 . 1 1 68 68 THR CA C 13 57.2 0.15 . 1 . . . . . . . . 4603 1 848 . 1 1 68 68 THR HA H 1 5.68 0.02 . 1 . . . . . . . . 4603 1 849 . 1 1 68 68 THR CB C 13 70.8 0.15 . 1 . . . . . . . . 4603 1 850 . 1 1 68 68 THR HB H 1 4.48 0.02 . 1 . . . . . . . . 4603 1 851 . 1 1 68 68 THR HG21 H 1 1.11 0.02 . 1 . . . . . . . . 4603 1 852 . 1 1 68 68 THR HG22 H 1 1.11 0.02 . 1 . . . . . . . . 4603 1 853 . 1 1 68 68 THR HG23 H 1 1.11 0.02 . 1 . . . . . . . . 4603 1 854 . 1 1 68 68 THR HG1 H 1 5.79 0.02 . 1 . . . . . . . . 4603 1 855 . 1 1 68 68 THR CG2 C 13 21.1 0.15 . 1 . . . . . . . . 4603 1 856 . 1 1 68 68 THR C C 13 173.9 0.15 . 1 . . . . . . . . 4603 1 857 . 1 1 69 69 PRO CD C 13 50.7 0.15 . 1 . . . . . . . . 4603 1 858 . 1 1 69 69 PRO CA C 13 66.0 0.15 . 1 . . . . . . . . 4603 1 859 . 1 1 69 69 PRO HA H 1 3.98 0.02 . 1 . . . . . . . . 4603 1 860 . 1 1 69 69 PRO CB C 13 31.3 0.15 . 1 . . . . . . . . 4603 1 861 . 1 1 69 69 PRO HB2 H 1 2.19 0.02 . 2 . . . . . . . . 4603 1 862 . 1 1 69 69 PRO HB3 H 1 2.11 0.02 . 2 . . . . . . . . 4603 1 863 . 1 1 69 69 PRO CG C 13 28.0 0.15 . 1 . . . . . . . . 4603 1 864 . 1 1 69 69 PRO HG2 H 1 2.57 0.02 . 2 . . . . . . . . 4603 1 865 . 1 1 69 69 PRO HG3 H 1 1.69 0.02 . 2 . . . . . . . . 4603 1 866 . 1 1 69 69 PRO HD2 H 1 4.11 0.02 . 2 . . . . . . . . 4603 1 867 . 1 1 69 69 PRO HD3 H 1 3.88 0.02 . 2 . . . . . . . . 4603 1 868 . 1 1 69 69 PRO C C 13 177.5 0.15 . 1 . . . . . . . . 4603 1 869 . 1 1 70 70 ASN N N 15 114.5 0.2 . 1 . . . . . . . . 4603 1 870 . 1 1 70 70 ASN H H 1 8.93 0.02 . 1 . . . . . . . . 4603 1 871 . 1 1 70 70 ASN CA C 13 55.1 0.15 . 1 . . . . . . . . 4603 1 872 . 1 1 70 70 ASN HA H 1 4.54 0.02 . 1 . . . . . . . . 4603 1 873 . 1 1 70 70 ASN CB C 13 38.0 0.15 . 1 . . . . . . . . 4603 1 874 . 1 1 70 70 ASN HB2 H 1 2.64 0.02 . 2 . . . . . . . . 4603 1 875 . 1 1 70 70 ASN HB3 H 1 2.56 0.02 . 2 . . . . . . . . 4603 1 876 . 1 1 70 70 ASN ND2 N 15 112.2 0.2 . 1 . . . . . . . . 4603 1 877 . 1 1 70 70 ASN HD21 H 1 6.56 0.02 . 2 . . . . . . . . 4603 1 878 . 1 1 70 70 ASN HD22 H 1 7.71 0.02 . 2 . . . . . . . . 4603 1 879 . 1 1 70 70 ASN C C 13 178.9 0.15 . 1 . . . . . . . . 4603 1 880 . 1 1 71 71 LYS N N 15 121.3 0.2 . 1 . . . . . . . . 4603 1 881 . 1 1 71 71 LYS H H 1 8.15 0.02 . 1 . . . . . . . . 4603 1 882 . 1 1 71 71 LYS CA C 13 59.8 0.15 . 1 . . . . . . . . 4603 1 883 . 1 1 71 71 LYS HA H 1 3.88 0.02 . 1 . . . . . . . . 4603 1 884 . 1 1 71 71 LYS CB C 13 33.0 0.15 . 1 . . . . . . . . 4603 1 885 . 1 1 71 71 LYS HB2 H 1 1.98 0.02 . 2 . . . . . . . . 4603 1 886 . 1 1 71 71 LYS HB3 H 1 1.61 0.02 . 2 . . . . . . . . 4603 1 887 . 1 1 71 71 LYS CG C 13 26.5 0.15 . 1 . . . . . . . . 4603 1 888 . 1 1 71 71 LYS HG2 H 1 1.38 0.02 . 2 . . . . . . . . 4603 1 889 . 1 1 71 71 LYS HG3 H 1 1.24 0.02 . 2 . . . . . . . . 4603 1 890 . 1 1 71 71 LYS CD C 13 29.8 0.15 . 1 . . . . . . . . 4603 1 891 . 1 1 71 71 LYS HD2 H 1 1.91 0.02 . 2 . . . . . . . . 4603 1 892 . 1 1 71 71 LYS HD3 H 1 1.58 0.02 . 2 . . . . . . . . 4603 1 893 . 1 1 71 71 LYS CE C 13 42.0 0.15 . 1 . . . . . . . . 4603 1 894 . 1 1 71 71 LYS HE2 H 1 2.80 0.02 . 2 . . . . . . . . 4603 1 895 . 1 1 71 71 LYS HE3 H 1 2.93 0.02 . 2 . . . . . . . . 4603 1 896 . 1 1 71 71 LYS C C 13 179.0 0.15 . 1 . . . . . . . . 4603 1 897 . 1 1 72 72 ILE N N 15 120.3 0.2 . 1 . . . . . . . . 4603 1 898 . 1 1 72 72 ILE H H 1 7.97 0.02 . 1 . . . . . . . . 4603 1 899 . 1 1 72 72 ILE CA C 13 65.7 0.15 . 1 . . . . . . . . 4603 1 900 . 1 1 72 72 ILE HA H 1 3.47 0.02 . 1 . . . . . . . . 4603 1 901 . 1 1 72 72 ILE CB C 13 37.9 0.15 . 1 . . . . . . . . 4603 1 902 . 1 1 72 72 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 4603 1 903 . 1 1 72 72 ILE HG21 H 1 1.09 0.02 . 1 . . . . . . . . 4603 1 904 . 1 1 72 72 ILE HG22 H 1 1.09 0.02 . 1 . . . . . . . . 4603 1 905 . 1 1 72 72 ILE HG23 H 1 1.09 0.02 . 1 . . . . . . . . 4603 1 906 . 1 1 72 72 ILE CG2 C 13 18.8 0.15 . 1 . . . . . . . . 4603 1 907 . 1 1 72 72 ILE CG1 C 13 29.8 0.15 . 1 . . . . . . . . 4603 1 908 . 1 1 72 72 ILE HG12 H 1 1.29 0.02 . 1 . . . . . . . . 4603 1 909 . 1 1 72 72 ILE HG13 H 1 1.29 0.02 . 1 . . . . . . . . 4603 1 910 . 1 1 72 72 ILE HD11 H 1 0.98 0.02 . 1 . . . . . . . . 4603 1 911 . 1 1 72 72 ILE HD12 H 1 0.98 0.02 . 1 . . . . . . . . 4603 1 912 . 1 1 72 72 ILE HD13 H 1 0.98 0.02 . 1 . . . . . . . . 4603 1 913 . 1 1 72 72 ILE CD1 C 13 15.2 0.15 . 1 . . . . . . . . 4603 1 914 . 1 1 72 72 ILE C C 13 177.5 0.15 . 1 . . . . . . . . 4603 1 915 . 1 1 73 73 ILE N N 15 119.3 0.2 . 1 . . . . . . . . 4603 1 916 . 1 1 73 73 ILE H H 1 8.72 0.02 . 1 . . . . . . . . 4603 1 917 . 1 1 73 73 ILE CA C 13 66.3 0.15 . 1 . . . . . . . . 4603 1 918 . 1 1 73 73 ILE HA H 1 3.22 0.02 . 1 . . . . . . . . 4603 1 919 . 1 1 73 73 ILE CB C 13 37.9 0.15 . 1 . . . . . . . . 4603 1 920 . 1 1 73 73 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 4603 1 921 . 1 1 73 73 ILE HG21 H 1 0.76 0.02 . 1 . . . . . . . . 4603 1 922 . 1 1 73 73 ILE HG22 H 1 0.76 0.02 . 1 . . . . . . . . 4603 1 923 . 1 1 73 73 ILE HG23 H 1 0.76 0.02 . 1 . . . . . . . . 4603 1 924 . 1 1 73 73 ILE CG2 C 13 17.2 0.15 . 1 . . . . . . . . 4603 1 925 . 1 1 73 73 ILE CG1 C 13 30.3 0.15 . 1 . . . . . . . . 4603 1 926 . 1 1 73 73 ILE HG12 H 1 1.89 0.02 . 2 . . . . . . . . 4603 1 927 . 1 1 73 73 ILE HG13 H 1 0.71 0.02 . 2 . . . . . . . . 4603 1 928 . 1 1 73 73 ILE HD11 H 1 0.84 0.02 . 1 . . . . . . . . 4603 1 929 . 1 1 73 73 ILE HD12 H 1 0.84 0.02 . 1 . . . . . . . . 4603 1 930 . 1 1 73 73 ILE HD13 H 1 0.84 0.02 . 1 . . . . . . . . 4603 1 931 . 1 1 73 73 ILE CD1 C 13 13.9 0.15 . 1 . . . . . . . . 4603 1 932 . 1 1 73 73 ILE C C 13 177.1 0.15 . 1 . . . . . . . . 4603 1 933 . 1 1 74 74 ALA N N 15 119.7 0.2 . 1 . . . . . . . . 4603 1 934 . 1 1 74 74 ALA H H 1 7.56 0.02 . 1 . . . . . . . . 4603 1 935 . 1 1 74 74 ALA CA C 13 54.8 0.15 . 1 . . . . . . . . 4603 1 936 . 1 1 74 74 ALA HA H 1 4.15 0.02 . 1 . . . . . . . . 4603 1 937 . 1 1 74 74 ALA HB1 H 1 1.37 0.02 . 1 . . . . . . . . 4603 1 938 . 1 1 74 74 ALA HB2 H 1 1.37 0.02 . 1 . . . . . . . . 4603 1 939 . 1 1 74 74 ALA HB3 H 1 1.37 0.02 . 1 . . . . . . . . 4603 1 940 . 1 1 74 74 ALA CB C 13 17.4 0.15 . 1 . . . . . . . . 4603 1 941 . 1 1 74 74 ALA C C 13 180.1 0.15 . 1 . . . . . . . . 4603 1 942 . 1 1 75 75 LYS N N 15 118.1 0.2 . 1 . . . . . . . . 4603 1 943 . 1 1 75 75 LYS H H 1 7.63 0.02 . 1 . . . . . . . . 4603 1 944 . 1 1 75 75 LYS CA C 13 57.6 0.15 . 1 . . . . . . . . 4603 1 945 . 1 1 75 75 LYS HA H 1 3.77 0.02 . 1 . . . . . . . . 4603 1 946 . 1 1 75 75 LYS CB C 13 32.3 0.15 . 1 . . . . . . . . 4603 1 947 . 1 1 75 75 LYS HB2 H 1 1.83 0.02 . 2 . . . . . . . . 4603 1 948 . 1 1 75 75 LYS HB3 H 1 1.14 0.02 . 2 . . . . . . . . 4603 1 949 . 1 1 75 75 LYS CG C 13 22.8 0.15 . 1 . . . . . . . . 4603 1 950 . 1 1 75 75 LYS HG2 H 1 0.96 0.02 . 2 . . . . . . . . 4603 1 951 . 1 1 75 75 LYS HG3 H 1 -0.36 0.02 . 2 . . . . . . . . 4603 1 952 . 1 1 75 75 LYS CD C 13 28.0 0.15 . 1 . . . . . . . . 4603 1 953 . 1 1 75 75 LYS HD2 H 1 1.14 0.02 . 2 . . . . . . . . 4603 1 954 . 1 1 75 75 LYS HD3 H 1 0.90 0.02 . 2 . . . . . . . . 4603 1 955 . 1 1 75 75 LYS CE C 13 41.9 0.15 . 1 . . . . . . . . 4603 1 956 . 1 1 75 75 LYS HE2 H 1 2.28 0.02 . 2 . . . . . . . . 4603 1 957 . 1 1 75 75 LYS HE3 H 1 2.00 0.02 . 2 . . . . . . . . 4603 1 958 . 1 1 75 75 LYS C C 13 178.7 0.15 . 1 . . . . . . . . 4603 1 959 . 1 1 76 76 VAL N N 15 119.4 0.2 . 1 . . . . . . . . 4603 1 960 . 1 1 76 76 VAL H H 1 8.05 0.02 . 1 . . . . . . . . 4603 1 961 . 1 1 76 76 VAL CA C 13 66.1 0.15 . 1 . . . . . . . . 4603 1 962 . 1 1 76 76 VAL HA H 1 3.51 0.02 . 1 . . . . . . . . 4603 1 963 . 1 1 76 76 VAL CB C 13 30.6 0.15 . 1 . . . . . . . . 4603 1 964 . 1 1 76 76 VAL HB H 1 1.92 0.02 . 1 . . . . . . . . 4603 1 965 . 1 1 76 76 VAL HG11 H 1 0.93 0.02 . 2 . . . . . . . . 4603 1 966 . 1 1 76 76 VAL HG12 H 1 0.93 0.02 . 2 . . . . . . . . 4603 1 967 . 1 1 76 76 VAL HG13 H 1 0.93 0.02 . 2 . . . . . . . . 4603 1 968 . 1 1 76 76 VAL HG21 H 1 0.36 0.02 . 2 . . . . . . . . 4603 1 969 . 1 1 76 76 VAL HG22 H 1 0.36 0.02 . 2 . . . . . . . . 4603 1 970 . 1 1 76 76 VAL HG23 H 1 0.36 0.02 . 2 . . . . . . . . 4603 1 971 . 1 1 76 76 VAL CG1 C 13 23.6 0.15 . 1 . . . . . . . . 4603 1 972 . 1 1 76 76 VAL CG2 C 13 22.0 0.15 . 1 . . . . . . . . 4603 1 973 . 1 1 76 76 VAL C C 13 178.8 0.15 . 1 . . . . . . . . 4603 1 974 . 1 1 77 77 GLU N N 15 120.1 0.2 . 1 . . . . . . . . 4603 1 975 . 1 1 77 77 GLU H H 1 8.72 0.02 . 1 . . . . . . . . 4603 1 976 . 1 1 77 77 GLU CA C 13 59.5 0.15 . 1 . . . . . . . . 4603 1 977 . 1 1 77 77 GLU HA H 1 3.89 0.02 . 1 . . . . . . . . 4603 1 978 . 1 1 77 77 GLU CB C 13 29.2 0.15 . 1 . . . . . . . . 4603 1 979 . 1 1 77 77 GLU HB2 H 1 2.03 0.02 . 1 . . . . . . . . 4603 1 980 . 1 1 77 77 GLU HB3 H 1 2.03 0.02 . 1 . . . . . . . . 4603 1 981 . 1 1 77 77 GLU CG C 13 36.4 0.15 . 1 . . . . . . . . 4603 1 982 . 1 1 77 77 GLU HG2 H 1 2.15 0.02 . 2 . . . . . . . . 4603 1 983 . 1 1 77 77 GLU HG3 H 1 2.46 0.02 . 2 . . . . . . . . 4603 1 984 . 1 1 77 77 GLU C C 13 179.1 0.15 . 1 . . . . . . . . 4603 1 985 . 1 1 78 78 GLN N N 15 116.7 0.2 . 1 . . . . . . . . 4603 1 986 . 1 1 78 78 GLN H H 1 7.95 0.02 . 1 . . . . . . . . 4603 1 987 . 1 1 78 78 GLN CA C 13 56.7 0.15 . 1 . . . . . . . . 4603 1 988 . 1 1 78 78 GLN HA H 1 4.11 0.02 . 1 . . . . . . . . 4603 1 989 . 1 1 78 78 GLN CB C 13 26.5 0.15 . 1 . . . . . . . . 4603 1 990 . 1 1 78 78 GLN HB2 H 1 2.14 0.02 . 1 . . . . . . . . 4603 1 991 . 1 1 78 78 GLN HB3 H 1 2.14 0.02 . 1 . . . . . . . . 4603 1 992 . 1 1 78 78 GLN CG C 13 33.9 0.15 . 1 . . . . . . . . 4603 1 993 . 1 1 78 78 GLN HG2 H 1 2.55 0.02 . 1 . . . . . . . . 4603 1 994 . 1 1 78 78 GLN HG3 H 1 2.55 0.02 . 1 . . . . . . . . 4603 1 995 . 1 1 78 78 GLN NE2 N 15 111.4 0.2 . 1 . . . . . . . . 4603 1 996 . 1 1 78 78 GLN HE21 H 1 6.86 0.02 . 2 . . . . . . . . 4603 1 997 . 1 1 78 78 GLN HE22 H 1 7.48 0.02 . 2 . . . . . . . . 4603 1 998 . 1 1 78 78 GLN C C 13 176.0 0.15 . 1 . . . . . . . . 4603 1 999 . 1 1 79 79 ALA N N 15 121.3 0.2 . 1 . . . . . . . . 4603 1 1000 . 1 1 79 79 ALA H H 1 7.44 0.02 . 1 . . . . . . . . 4603 1 1001 . 1 1 79 79 ALA CA C 13 52.0 0.15 . 1 . . . . . . . . 4603 1 1002 . 1 1 79 79 ALA HA H 1 4.47 0.02 . 1 . . . . . . . . 4603 1 1003 . 1 1 79 79 ALA HB1 H 1 1.57 0.02 . 1 . . . . . . . . 4603 1 1004 . 1 1 79 79 ALA HB2 H 1 1.57 0.02 . 1 . . . . . . . . 4603 1 1005 . 1 1 79 79 ALA HB3 H 1 1.57 0.02 . 1 . . . . . . . . 4603 1 1006 . 1 1 79 79 ALA CB C 13 19.5 0.15 . 1 . . . . . . . . 4603 1 1007 . 1 1 79 79 ALA C C 13 176.9 0.15 . 1 . . . . . . . . 4603 1 1008 . 1 1 80 80 GLN N N 15 122.5 0.2 . 1 . . . . . . . . 4603 1 1009 . 1 1 80 80 GLN H H 1 7.39 0.02 . 1 . . . . . . . . 4603 1 1010 . 1 1 80 80 GLN CA C 13 56.8 0.15 . 1 . . . . . . . . 4603 1 1011 . 1 1 80 80 GLN HA H 1 4.10 0.02 . 1 . . . . . . . . 4603 1 1012 . 1 1 80 80 GLN CB C 13 28.7 0.15 . 1 . . . . . . . . 4603 1 1013 . 1 1 80 80 GLN HB2 H 1 2.31 0.02 . 2 . . . . . . . . 4603 1 1014 . 1 1 80 80 GLN HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4603 1 1015 . 1 1 80 80 GLN CG C 13 33.8 0.15 . 1 . . . . . . . . 4603 1 1016 . 1 1 80 80 GLN HG2 H 1 2.68 0.02 . 2 . . . . . . . . 4603 1 1017 . 1 1 80 80 GLN HG3 H 1 2.35 0.02 . 2 . . . . . . . . 4603 1 1018 . 1 1 80 80 GLN NE2 N 15 113.4 0.2 . 1 . . . . . . . . 4603 1 1019 . 1 1 80 80 GLN HE21 H 1 7.35 0.02 . 2 . . . . . . . . 4603 1 1020 . 1 1 80 80 GLN HE22 H 1 7.41 0.02 . 2 . . . . . . . . 4603 1 1021 . 1 1 80 80 GLN C C 13 180.7 0.15 . 1 . . . . . . . . 4603 1 stop_ save_