data_447 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 447 _Entry.Title ; Multinuclear Magnetic Resonance Studies of the 2Fe-2S, Ferredoxin from Anabaena Species Strain PCC 7120. 1. Sequence-Specific Hydrogen-1 Resonance Assignments and Secondary Structure in Solution of the Oxidized Form ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Byung-Ha Oh . . . 447 2 John Markley . L. . 447 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 447 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 358 447 '15N chemical shifts' 97 447 '1H chemical shifts' 544 447 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 5 . . 2010-06-11 . revision BMRB 'Complete natural source information' 447 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 447 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 447 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 447 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 447 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 447 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Oh, Byung-Ha, Markley, John L., "Multinuclear Magnetic Resonance Studies of the 2Fe-2S, Ferredoxin from Anabaena Species Strain PCC 7120. 1. Sequence-Specific Hydrogen-1 Resonance Assignments and Secondary Structure in Solution of the Oxidized Form," Biochemistry 29, 3993-4004 (1990). ; _Citation.Title ; Multinuclear Magnetic Resonance Studies of the 2Fe-2S, Ferredoxin from Anabaena Species Strain PCC 7120. 1. Sequence-Specific Hydrogen-1 Resonance Assignments and Secondary Structure in Solution of the Oxidized Form ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 29 _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 3993 _Citation.Page_last 4004 _Citation.Year 1990 _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 Byung-Ha Oh . . . 447 1 2 John Markley . L. . 447 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_2Fe-2S_ferredoxin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_2Fe-2S_ferredoxin _Assembly.Entry_ID 447 _Assembly.ID 1 _Assembly.Name '2Fe-2S ferredoxin' _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 '2Fe-2S ferredoxin' 1 $2Fe-2S_ferredoxin . . . . . . . . . 447 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '2Fe-2S ferredoxin' system 447 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_2Fe-2S_ferredoxin _Entity.Sf_category entity _Entity.Sf_framecode 2Fe-2S_ferredoxin _Entity.Entry_ID 447 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '2Fe-2S ferredoxin' _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 ; ATFKVTLINEAEGTKHEIEV PDDEYILDAAEEQGYDLPFS CRAGACSTCAGKLVSGTVDQ SDQSFLDDDQIEAGYVLTCV AYPTSDVVIQTHKEEDLY ; _Entity.Polymer_seq_one_letter_code ; ATFKVTLINEAEGTKHEIEV PDDEYILDAAEEQGYDLPFS CRAGACSTCAGKLVSGTVDQ SDQSFLDDDQIEAGYVLTCV AYPTSDVVIQTHKEEDLY ; _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 BMRB 1439 . "2Fe-2S ferredoxin" . . . . . 100.00 98 100.00 100.00 2.17e-63 . . . . 447 1 2 no BMRB 1440 . "2Fe-2S ferredoxin" . . . . . 100.00 98 100.00 100.00 2.17e-63 . . . . 447 1 3 no BMRB 1441 . "2Fe-2S ferredoxin" . . . . . 100.00 98 100.00 100.00 2.17e-63 . . . . 447 1 4 no BMRB 2463 . "2Fe-2S ferredoxin" . . . . . 100.00 98 100.00 100.00 2.17e-63 . . . . 447 1 5 no BMRB 4441 . "Anabaena 7120 vegetative Ferredoxin" . . . . . 100.00 98 100.00 100.00 2.17e-63 . . . . 447 1 6 no BMRB 4442 . "Anabaena 7120 vegetative Ferredoxin" . . . . . 100.00 98 100.00 100.00 2.17e-63 . . . . 447 1 7 no PDB 1CZP . "Anabaena Pcc7119 [2fe-2s] Ferredoxin In The Reduced And Oxixized State At 1.17 A" . . . . . 100.00 98 100.00 100.00 2.17e-63 . . . . 447 1 8 no PDB 1EWY . "Anabaena Pcc7119 Ferredoxin:ferredoxin-Nadp+-Reductase Complex" . . . . . 100.00 98 100.00 100.00 2.17e-63 . . . . 447 1 9 no PDB 1FXA . "Crystallization And Structure Determination To 2.5-Angstroms Resolution Of The Oxidized [2fe-2s] Ferredoxin Isolated From Anaba" . . . . . 100.00 98 100.00 100.00 2.17e-63 . . . . 447 1 10 no PDB 1J7A . "Structure Of The Anabaena Ferredoxin D68k Mutant" . . . . . 100.00 98 98.98 98.98 1.30e-62 . . . . 447 1 11 no PDB 1J7B . "Structure Of The Anabaena Ferredoxin Mutant E94k" . . . . . 100.00 98 98.98 100.00 7.62e-63 . . . . 447 1 12 no PDB 1J7C . "Structure Of The Anabaena Ferredoxin Mutant E95k" . . . . . 100.00 98 98.98 100.00 7.62e-63 . . . . 447 1 13 no PDB 1QOA . "Ferredoxin Mutation C49s" . . . . . 100.00 98 98.98 98.98 2.91e-62 . . . . 447 1 14 no PDB 1QOB . "Ferredoxin Mutation D62k" . . . . . 100.00 98 98.98 98.98 1.30e-62 . . . . 447 1 15 no PDB 1QOF . "Ferredoxin Mutation Q70k" . . . . . 100.00 98 98.98 100.00 7.96e-63 . . . . 447 1 16 no PDB 1QOG . "Ferredoxin Mutation S47a" . . . . . 100.00 98 98.98 100.00 6.13e-63 . . . . 447 1 17 no PDB 1QT9 . "Oxidized [2fe-2s] Ferredoxin From Anabaena Pcc7119" . . . . . 100.00 98 100.00 100.00 2.17e-63 . . . . 447 1 18 no DBJ BAB75847 . "ferredoxin I [Nostoc sp. PCC 7120]" . . . . . 100.00 99 100.00 100.00 1.80e-63 . . . . 447 1 19 no GB AAA22021 . "ferredoxin I [Anabaena sp.]" . . . . . 100.00 99 100.00 100.00 1.80e-63 . . . . 447 1 20 no PRF 1001142A . "ferredoxin II" . . . . . 100.00 98 97.96 98.98 8.86e-62 . . . . 447 1 21 no REF WP_010998287 . "Ferredoxin-1 [Nostoc sp. PCC 7120]" . . . . . 100.00 99 100.00 100.00 1.80e-63 . . . . 447 1 22 no SP P00253 . "RecName: Full=Ferredoxin" . . . . . 100.00 99 98.98 100.00 7.68e-63 . . . . 447 1 23 no SP P0A3C7 . "RecName: Full=Ferredoxin-1; AltName: Full=Ferredoxin I" . . . . . 100.00 99 100.00 100.00 1.80e-63 . . . . 447 1 24 no SP P0A3C8 . "RecName: Full=Ferredoxin-1; AltName: Full=Ferredoxin I" . . . . . 100.00 99 100.00 100.00 1.80e-63 . . . . 447 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '2Fe-2S ferredoxin' common 447 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 . ALA . 447 1 2 . THR . 447 1 3 . PHE . 447 1 4 . LYS . 447 1 5 . VAL . 447 1 6 . THR . 447 1 7 . LEU . 447 1 8 . ILE . 447 1 9 . ASN . 447 1 10 . GLU . 447 1 11 . ALA . 447 1 12 . GLU . 447 1 13 . GLY . 447 1 14 . THR . 447 1 15 . LYS . 447 1 16 . HIS . 447 1 17 . GLU . 447 1 18 . ILE . 447 1 19 . GLU . 447 1 20 . VAL . 447 1 21 . PRO . 447 1 22 . ASP . 447 1 23 . ASP . 447 1 24 . GLU . 447 1 25 . TYR . 447 1 26 . ILE . 447 1 27 . LEU . 447 1 28 . ASP . 447 1 29 . ALA . 447 1 30 . ALA . 447 1 31 . GLU . 447 1 32 . GLU . 447 1 33 . GLN . 447 1 34 . GLY . 447 1 35 . TYR . 447 1 36 . ASP . 447 1 37 . LEU . 447 1 38 . PRO . 447 1 39 . PHE . 447 1 40 . SER . 447 1 41 . CYS . 447 1 42 . ARG . 447 1 43 . ALA . 447 1 44 . GLY . 447 1 45 . ALA . 447 1 46 . CYS . 447 1 47 . SER . 447 1 48 . THR . 447 1 49 . CYS . 447 1 50 . ALA . 447 1 51 . GLY . 447 1 52 . LYS . 447 1 53 . LEU . 447 1 54 . VAL . 447 1 55 . SER . 447 1 56 . GLY . 447 1 57 . THR . 447 1 58 . VAL . 447 1 59 . ASP . 447 1 60 . GLN . 447 1 61 . SER . 447 1 62 . ASP . 447 1 63 . GLN . 447 1 64 . SER . 447 1 65 . PHE . 447 1 66 . LEU . 447 1 67 . ASP . 447 1 68 . ASP . 447 1 69 . ASP . 447 1 70 . GLN . 447 1 71 . ILE . 447 1 72 . GLU . 447 1 73 . ALA . 447 1 74 . GLY . 447 1 75 . TYR . 447 1 76 . VAL . 447 1 77 . LEU . 447 1 78 . THR . 447 1 79 . CYS . 447 1 80 . VAL . 447 1 81 . ALA . 447 1 82 . TYR . 447 1 83 . PRO . 447 1 84 . THR . 447 1 85 . SER . 447 1 86 . ASP . 447 1 87 . VAL . 447 1 88 . VAL . 447 1 89 . ILE . 447 1 90 . GLN . 447 1 91 . THR . 447 1 92 . HIS . 447 1 93 . LYS . 447 1 94 . GLU . 447 1 95 . GLU . 447 1 96 . ASP . 447 1 97 . LEU . 447 1 98 . TYR . 447 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 1 447 1 . THR 2 2 447 1 . PHE 3 3 447 1 . LYS 4 4 447 1 . VAL 5 5 447 1 . THR 6 6 447 1 . LEU 7 7 447 1 . ILE 8 8 447 1 . ASN 9 9 447 1 . GLU 10 10 447 1 . ALA 11 11 447 1 . GLU 12 12 447 1 . GLY 13 13 447 1 . THR 14 14 447 1 . LYS 15 15 447 1 . HIS 16 16 447 1 . GLU 17 17 447 1 . ILE 18 18 447 1 . GLU 19 19 447 1 . VAL 20 20 447 1 . PRO 21 21 447 1 . ASP 22 22 447 1 . ASP 23 23 447 1 . GLU 24 24 447 1 . TYR 25 25 447 1 . ILE 26 26 447 1 . LEU 27 27 447 1 . ASP 28 28 447 1 . ALA 29 29 447 1 . ALA 30 30 447 1 . GLU 31 31 447 1 . GLU 32 32 447 1 . GLN 33 33 447 1 . GLY 34 34 447 1 . TYR 35 35 447 1 . ASP 36 36 447 1 . LEU 37 37 447 1 . PRO 38 38 447 1 . PHE 39 39 447 1 . SER 40 40 447 1 . CYS 41 41 447 1 . ARG 42 42 447 1 . ALA 43 43 447 1 . GLY 44 44 447 1 . ALA 45 45 447 1 . CYS 46 46 447 1 . SER 47 47 447 1 . THR 48 48 447 1 . CYS 49 49 447 1 . ALA 50 50 447 1 . GLY 51 51 447 1 . LYS 52 52 447 1 . LEU 53 53 447 1 . VAL 54 54 447 1 . SER 55 55 447 1 . GLY 56 56 447 1 . THR 57 57 447 1 . VAL 58 58 447 1 . ASP 59 59 447 1 . GLN 60 60 447 1 . SER 61 61 447 1 . ASP 62 62 447 1 . GLN 63 63 447 1 . SER 64 64 447 1 . PHE 65 65 447 1 . LEU 66 66 447 1 . ASP 67 67 447 1 . ASP 68 68 447 1 . ASP 69 69 447 1 . GLN 70 70 447 1 . ILE 71 71 447 1 . GLU 72 72 447 1 . ALA 73 73 447 1 . GLY 74 74 447 1 . TYR 75 75 447 1 . VAL 76 76 447 1 . LEU 77 77 447 1 . THR 78 78 447 1 . CYS 79 79 447 1 . VAL 80 80 447 1 . ALA 81 81 447 1 . TYR 82 82 447 1 . PRO 83 83 447 1 . THR 84 84 447 1 . SER 85 85 447 1 . ASP 86 86 447 1 . VAL 87 87 447 1 . VAL 88 88 447 1 . ILE 89 89 447 1 . GLN 90 90 447 1 . THR 91 91 447 1 . HIS 92 92 447 1 . LYS 93 93 447 1 . GLU 94 94 447 1 . GLU 95 95 447 1 . ASP 96 96 447 1 . LEU 97 97 447 1 . TYR 98 98 447 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 447 _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 $2Fe-2S_ferredoxin . 1172 organism . 'Anabaena variabilis' . . . Virus . Anabaena variabilis 7120 . . . . . . . . . . . . . . . . . . . . 447 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 447 _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 $2Fe-2S_ferredoxin . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 447 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 447 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 447 _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 7.5 . na 447 1 temperature 298 . K 447 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 447 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 447 _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 unknown unknown . 0 'spectrometer information not available' . . 447 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 447 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 447 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 447 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C . TMS . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 447 1 H . TSP . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 447 1 N . 'liquid ammonia' . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 447 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_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 447 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_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_one . 447 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 50 . . 1 . . . . . . . . 447 1 2 . 1 1 1 1 ALA HA H 1 3.92 . . 1 . . . . . . . . 447 1 3 . 1 1 1 1 ALA C C 13 171.3 . . 1 . . . . . . . . 447 1 4 . 1 1 1 1 ALA CB C 13 18.1 . . 1 . . . . . . . . 447 1 5 . 1 1 1 1 ALA HB1 H 1 1.13 . . 1 . . . . . . . . 447 1 6 . 1 1 1 1 ALA HB2 H 1 1.13 . . 1 . . . . . . . . 447 1 7 . 1 1 1 1 ALA HB3 H 1 1.13 . . 1 . . . . . . . . 447 1 8 . 1 1 1 1 ALA N N 15 40.8 . . 1 . . . . . . . . 447 1 9 . 1 1 2 2 THR H H 1 8.06 . . 1 . . . . . . . . 447 1 10 . 1 1 2 2 THR CA C 13 59.2 . . 1 . . . . . . . . 447 1 11 . 1 1 2 2 THR HA H 1 4.49 . . 1 . . . . . . . . 447 1 12 . 1 1 2 2 THR C C 13 170.8 . . 1 . . . . . . . . 447 1 13 . 1 1 2 2 THR CB C 13 69.1 . . 1 . . . . . . . . 447 1 14 . 1 1 2 2 THR CG2 C 13 22.3 . . 1 . . . . . . . . 447 1 15 . 1 1 2 2 THR HB H 1 3.74 . . 1 . . . . . . . . 447 1 16 . 1 1 2 2 THR HG21 H 1 .99 . . 1 . . . . . . . . 447 1 17 . 1 1 2 2 THR HG22 H 1 .99 . . 1 . . . . . . . . 447 1 18 . 1 1 2 2 THR HG23 H 1 .99 . . 1 . . . . . . . . 447 1 19 . 1 1 2 2 THR N N 15 114.5 . . 1 . . . . . . . . 447 1 20 . 1 1 3 3 PHE H H 1 8.58 . . 1 . . . . . . . . 447 1 21 . 1 1 3 3 PHE CA C 13 55.3 . . 1 . . . . . . . . 447 1 22 . 1 1 3 3 PHE HA H 1 4.98 . . 1 . . . . . . . . 447 1 23 . 1 1 3 3 PHE CB C 13 41.2 . . 1 . . . . . . . . 447 1 24 . 1 1 3 3 PHE CG C 13 136.3 . . 1 . . . . . . . . 447 1 25 . 1 1 3 3 PHE HB2 H 1 3.3 . . 2 . . . . . . . . 447 1 26 . 1 1 3 3 PHE HB3 H 1 2.34 . . 2 . . . . . . . . 447 1 27 . 1 1 3 3 PHE CD1 C 13 130 . . 1 . . . . . . . . 447 1 28 . 1 1 3 3 PHE CD2 C 13 130 . . 1 . . . . . . . . 447 1 29 . 1 1 3 3 PHE CE1 C 13 129.2 . . 1 . . . . . . . . 447 1 30 . 1 1 3 3 PHE HD1 H 1 7.13 . . 1 . . . . . . . . 447 1 31 . 1 1 3 3 PHE CE2 C 13 129.2 . . 1 . . . . . . . . 447 1 32 . 1 1 3 3 PHE HD2 H 1 7.13 . . 1 . . . . . . . . 447 1 33 . 1 1 3 3 PHE CZ C 13 128 . . 1 . . . . . . . . 447 1 34 . 1 1 3 3 PHE HE1 H 1 7.21 . . 1 . . . . . . . . 447 1 35 . 1 1 3 3 PHE HE2 H 1 7.21 . . 1 . . . . . . . . 447 1 36 . 1 1 3 3 PHE HZ H 1 7.11 . . 1 . . . . . . . . 447 1 37 . 1 1 3 3 PHE N N 15 124.7 . . 1 . . . . . . . . 447 1 38 . 1 1 4 4 LYS H H 1 9.17 . . 1 . . . . . . . . 447 1 39 . 1 1 4 4 LYS CA C 13 54.3 . . 1 . . . . . . . . 447 1 40 . 1 1 4 4 LYS HA H 1 4.7 . . 1 . . . . . . . . 447 1 41 . 1 1 4 4 LYS C C 13 174.7 . . 1 . . . . . . . . 447 1 42 . 1 1 4 4 LYS CB C 13 31.2 . . 1 . . . . . . . . 447 1 43 . 1 1 4 4 LYS CG C 13 23.1 . . 1 . . . . . . . . 447 1 44 . 1 1 4 4 LYS HB2 H 1 1.28 . . 2 . . . . . . . . 447 1 45 . 1 1 4 4 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 447 1 46 . 1 1 4 4 LYS CD C 13 27.3 . . 1 . . . . . . . . 447 1 47 . 1 1 4 4 LYS HG2 H 1 1.41 . . 2 . . . . . . . . 447 1 48 . 1 1 4 4 LYS HG3 H 1 1.48 . . 2 . . . . . . . . 447 1 49 . 1 1 4 4 LYS CE C 13 40.1 . . 1 . . . . . . . . 447 1 50 . 1 1 4 4 LYS HD2 H 1 1.69 . . 2 . . . . . . . . 447 1 51 . 1 1 4 4 LYS HD3 H 1 1.76 . . 2 . . . . . . . . 447 1 52 . 1 1 4 4 LYS NZ N 15 33.1 . . 1 . . . . . . . . 447 1 53 . 1 1 4 4 LYS HE2 H 1 2.92 . . 2 . . . . . . . . 447 1 54 . 1 1 4 4 LYS HE3 H 1 3.08 . . 2 . . . . . . . . 447 1 55 . 1 1 4 4 LYS N N 15 124.1 . . 1 . . . . . . . . 447 1 56 . 1 1 5 5 VAL H H 1 9.33 . . 1 . . . . . . . . 447 1 57 . 1 1 5 5 VAL CA C 13 59.1 . . 1 . . . . . . . . 447 1 58 . 1 1 5 5 VAL HA H 1 5.09 . . 1 . . . . . . . . 447 1 59 . 1 1 5 5 VAL CB C 13 32.3 . . 1 . . . . . . . . 447 1 60 . 1 1 5 5 VAL CG1 C 13 19.2 . . 2 . . . . . . . . 447 1 61 . 1 1 5 5 VAL CG2 C 13 20 . . 2 . . . . . . . . 447 1 62 . 1 1 5 5 VAL HB H 1 2.03 . . 1 . . . . . . . . 447 1 63 . 1 1 5 5 VAL HG11 H 1 .78 . . 2 . . . . . . . . 447 1 64 . 1 1 5 5 VAL HG12 H 1 .78 . . 2 . . . . . . . . 447 1 65 . 1 1 5 5 VAL HG13 H 1 .78 . . 2 . . . . . . . . 447 1 66 . 1 1 5 5 VAL HG21 H 1 .96 . . 2 . . . . . . . . 447 1 67 . 1 1 5 5 VAL HG22 H 1 .96 . . 2 . . . . . . . . 447 1 68 . 1 1 5 5 VAL HG23 H 1 .96 . . 2 . . . . . . . . 447 1 69 . 1 1 5 5 VAL N N 15 129.1 . . 1 . . . . . . . . 447 1 70 . 1 1 6 6 THR H H 1 9.27 . . 1 . . . . . . . . 447 1 71 . 1 1 6 6 THR CA C 13 60.4 . . 1 . . . . . . . . 447 1 72 . 1 1 6 6 THR HA H 1 5.01 . . 1 . . . . . . . . 447 1 73 . 1 1 6 6 THR C C 13 171.5 . . 1 . . . . . . . . 447 1 74 . 1 1 6 6 THR CB C 13 67.6 . . 1 . . . . . . . . 447 1 75 . 1 1 6 6 THR CG2 C 13 19.6 . . 1 . . . . . . . . 447 1 76 . 1 1 6 6 THR HB H 1 4.21 . . 1 . . . . . . . . 447 1 77 . 1 1 6 6 THR HG21 H 1 1.12 . . 1 . . . . . . . . 447 1 78 . 1 1 6 6 THR HG22 H 1 1.12 . . 1 . . . . . . . . 447 1 79 . 1 1 6 6 THR HG23 H 1 1.12 . . 1 . . . . . . . . 447 1 80 . 1 1 6 6 THR N N 15 126.7 . . 1 . . . . . . . . 447 1 81 . 1 1 7 7 LEU H H 1 9.35 . . 1 . . . . . . . . 447 1 82 . 1 1 7 7 LEU CA C 13 51.5 . . 1 . . . . . . . . 447 1 83 . 1 1 7 7 LEU HA H 1 4.96 . . 1 . . . . . . . . 447 1 84 . 1 1 7 7 LEU CB C 13 41 . . 1 . . . . . . . . 447 1 85 . 1 1 7 7 LEU CG C 13 24.6 . . 1 . . . . . . . . 447 1 86 . 1 1 7 7 LEU HB2 H 1 1.48 . . 2 . . . . . . . . 447 1 87 . 1 1 7 7 LEU HB3 H 1 1.91 . . 2 . . . . . . . . 447 1 88 . 1 1 7 7 LEU CD1 C 13 21.4 . . 2 . . . . . . . . 447 1 89 . 1 1 7 7 LEU CD2 C 13 24.5 . . 2 . . . . . . . . 447 1 90 . 1 1 7 7 LEU HG H 1 1.65 . . 1 . . . . . . . . 447 1 91 . 1 1 7 7 LEU HD11 H 1 .62 . . 2 . . . . . . . . 447 1 92 . 1 1 7 7 LEU HD12 H 1 .62 . . 2 . . . . . . . . 447 1 93 . 1 1 7 7 LEU HD13 H 1 .62 . . 2 . . . . . . . . 447 1 94 . 1 1 7 7 LEU HD21 H 1 .73 . . 2 . . . . . . . . 447 1 95 . 1 1 7 7 LEU HD22 H 1 .73 . . 2 . . . . . . . . 447 1 96 . 1 1 7 7 LEU HD23 H 1 .73 . . 2 . . . . . . . . 447 1 97 . 1 1 7 7 LEU N N 15 128.4 . . 1 . . . . . . . . 447 1 98 . 1 1 8 8 ILE H H 1 9.37 . . 1 . . . . . . . . 447 1 99 . 1 1 8 8 ILE CA C 13 58.7 . . 1 . . . . . . . . 447 1 100 . 1 1 8 8 ILE HA H 1 4.7 . . 1 . . . . . . . . 447 1 101 . 1 1 8 8 ILE CB C 13 39.5 . . 1 . . . . . . . . 447 1 102 . 1 1 8 8 ILE CG1 C 13 26 . . 1 . . . . . . . . 447 1 103 . 1 1 8 8 ILE CG2 C 13 15.1 . . 1 . . . . . . . . 447 1 104 . 1 1 8 8 ILE HB H 1 1.74 . . 1 . . . . . . . . 447 1 105 . 1 1 8 8 ILE CD1 C 13 12 . . 1 . . . . . . . . 447 1 106 . 1 1 8 8 ILE HG12 H 1 .91 . . 2 . . . . . . . . 447 1 107 . 1 1 8 8 ILE HG13 H 1 1.46 . . 2 . . . . . . . . 447 1 108 . 1 1 8 8 ILE HG21 H 1 .91 . . 1 . . . . . . . . 447 1 109 . 1 1 8 8 ILE HG22 H 1 .91 . . 1 . . . . . . . . 447 1 110 . 1 1 8 8 ILE HG23 H 1 .91 . . 1 . . . . . . . . 447 1 111 . 1 1 8 8 ILE HD11 H 1 .77 . . 1 . . . . . . . . 447 1 112 . 1 1 8 8 ILE HD12 H 1 .77 . . 1 . . . . . . . . 447 1 113 . 1 1 8 8 ILE HD13 H 1 .77 . . 1 . . . . . . . . 447 1 114 . 1 1 8 8 ILE N N 15 127.7 . . 1 . . . . . . . . 447 1 115 . 1 1 9 9 ASN H H 1 7.84 . . 1 . . . . . . . . 447 1 116 . 1 1 9 9 ASN CA C 13 49.5 . . 1 . . . . . . . . 447 1 117 . 1 1 9 9 ASN HA H 1 5.08 . . 1 . . . . . . . . 447 1 118 . 1 1 9 9 ASN C C 13 174.9 . . 1 . . . . . . . . 447 1 119 . 1 1 9 9 ASN CB C 13 36.3 . . 1 . . . . . . . . 447 1 120 . 1 1 9 9 ASN CG C 13 175 . . 1 . . . . . . . . 447 1 121 . 1 1 9 9 ASN HB2 H 1 2.48 . . 2 . . . . . . . . 447 1 122 . 1 1 9 9 ASN HB3 H 1 3.22 . . 2 . . . . . . . . 447 1 123 . 1 1 9 9 ASN ND2 N 15 111.8 . . 1 . . . . . . . . 447 1 124 . 1 1 9 9 ASN HD21 H 1 6.42 . . 2 . . . . . . . . 447 1 125 . 1 1 9 9 ASN HD22 H 1 6.8 . . 2 . . . . . . . . 447 1 126 . 1 1 9 9 ASN N N 15 126.7 . . 1 . . . . . . . . 447 1 127 . 1 1 10 10 GLU H H 1 9.45 . . 1 . . . . . . . . 447 1 128 . 1 1 10 10 GLU CA C 13 57.7 . . 1 . . . . . . . . 447 1 129 . 1 1 10 10 GLU HA H 1 4 . . 1 . . . . . . . . 447 1 130 . 1 1 10 10 GLU CB C 13 29.2 . . 1 . . . . . . . . 447 1 131 . 1 1 10 10 GLU CG C 13 35.6 . . 1 . . . . . . . . 447 1 132 . 1 1 10 10 GLU HB2 H 1 1.99 . . 2 . . . . . . . . 447 1 133 . 1 1 10 10 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 447 1 134 . 1 1 10 10 GLU CD C 13 182 . . 1 . . . . . . . . 447 1 135 . 1 1 10 10 GLU HG2 H 1 2.2 . . 2 . . . . . . . . 447 1 136 . 1 1 10 10 GLU HG3 H 1 2.31 . . 2 . . . . . . . . 447 1 137 . 1 1 10 10 GLU N N 15 126.3 . . 1 . . . . . . . . 447 1 138 . 1 1 11 11 ALA H H 1 8.35 . . 1 . . . . . . . . 447 1 139 . 1 1 11 11 ALA CA C 13 53.3 . . 1 . . . . . . . . 447 1 140 . 1 1 11 11 ALA HA H 1 4.13 . . 1 . . . . . . . . 447 1 141 . 1 1 11 11 ALA C C 13 178.2 . . 1 . . . . . . . . 447 1 142 . 1 1 11 11 ALA CB C 13 16.7 . . 1 . . . . . . . . 447 1 143 . 1 1 11 11 ALA HB1 H 1 1.5 . . 1 . . . . . . . . 447 1 144 . 1 1 11 11 ALA HB2 H 1 1.5 . . 1 . . . . . . . . 447 1 145 . 1 1 11 11 ALA HB3 H 1 1.5 . . 1 . . . . . . . . 447 1 146 . 1 1 11 11 ALA N N 15 122.8 . . 1 . . . . . . . . 447 1 147 . 1 1 12 12 GLU H H 1 7.23 . . 1 . . . . . . . . 447 1 148 . 1 1 12 12 GLU CA C 13 54.2 . . 1 . . . . . . . . 447 1 149 . 1 1 12 12 GLU HA H 1 4.29 . . 1 . . . . . . . . 447 1 150 . 1 1 12 12 GLU C C 13 175.5 . . 1 . . . . . . . . 447 1 151 . 1 1 12 12 GLU CB C 13 29.6 . . 1 . . . . . . . . 447 1 152 . 1 1 12 12 GLU CG C 13 35.2 . . 1 . . . . . . . . 447 1 153 . 1 1 12 12 GLU HB2 H 1 1.51 . . 2 . . . . . . . . 447 1 154 . 1 1 12 12 GLU HB3 H 1 2.18 . . 2 . . . . . . . . 447 1 155 . 1 1 12 12 GLU HG2 H 1 2.23 . . 1 . . . . . . . . 447 1 156 . 1 1 12 12 GLU HG3 H 1 2.23 . . 1 . . . . . . . . 447 1 157 . 1 1 12 12 GLU N N 15 115 . . 1 . . . . . . . . 447 1 158 . 1 1 13 13 GLY H H 1 8.09 . . 1 . . . . . . . . 447 1 159 . 1 1 13 13 GLY CA C 13 44.8 . . 1 . . . . . . . . 447 1 160 . 1 1 13 13 GLY HA2 H 1 3.89 . . 2 . . . . . . . . 447 1 161 . 1 1 13 13 GLY C C 13 173.6 . . 1 . . . . . . . . 447 1 162 . 1 1 13 13 GLY HA3 H 1 4.01 . . 2 . . . . . . . . 447 1 163 . 1 1 13 13 GLY N N 15 110.4 . . 1 . . . . . . . . 447 1 164 . 1 1 14 14 THR H H 1 7.58 . . 1 . . . . . . . . 447 1 165 . 1 1 14 14 THR CA C 13 57.9 . . 1 . . . . . . . . 447 1 166 . 1 1 14 14 THR HA H 1 4.5 . . 1 . . . . . . . . 447 1 167 . 1 1 14 14 THR CB C 13 70.2 . . 1 . . . . . . . . 447 1 168 . 1 1 14 14 THR CG2 C 13 19.9 . . 1 . . . . . . . . 447 1 169 . 1 1 14 14 THR HB H 1 3.83 . . 1 . . . . . . . . 447 1 170 . 1 1 14 14 THR HG21 H 1 1.13 . . 1 . . . . . . . . 447 1 171 . 1 1 14 14 THR HG22 H 1 1.13 . . 1 . . . . . . . . 447 1 172 . 1 1 14 14 THR HG23 H 1 1.13 . . 1 . . . . . . . . 447 1 173 . 1 1 14 14 THR N N 15 108.9 . . 1 . . . . . . . . 447 1 174 . 1 1 15 15 LYS H H 1 8.2 . . 1 . . . . . . . . 447 1 175 . 1 1 15 15 LYS CA C 13 54 . . 1 . . . . . . . . 447 1 176 . 1 1 15 15 LYS HA H 1 4.91 . . 1 . . . . . . . . 447 1 177 . 1 1 15 15 LYS CB C 13 33.1 . . 1 . . . . . . . . 447 1 178 . 1 1 15 15 LYS CG C 13 23.3 . . 1 . . . . . . . . 447 1 179 . 1 1 15 15 LYS HB2 H 1 1.57 . . 1 . . . . . . . . 447 1 180 . 1 1 15 15 LYS HB3 H 1 1.57 . . 1 . . . . . . . . 447 1 181 . 1 1 15 15 LYS CD C 13 27.7 . . 1 . . . . . . . . 447 1 182 . 1 1 15 15 LYS HG2 H 1 1.1 . . 2 . . . . . . . . 447 1 183 . 1 1 15 15 LYS HG3 H 1 1.17 . . 2 . . . . . . . . 447 1 184 . 1 1 15 15 LYS CE C 13 39.9 . . 1 . . . . . . . . 447 1 185 . 1 1 15 15 LYS HD2 H 1 1.58 . . 1 . . . . . . . . 447 1 186 . 1 1 15 15 LYS HD3 H 1 1.58 . . 1 . . . . . . . . 447 1 187 . 1 1 15 15 LYS NZ N 15 33.7 . . 1 . . . . . . . . 447 1 188 . 1 1 15 15 LYS HE2 H 1 2.84 . . 1 . . . . . . . . 447 1 189 . 1 1 15 15 LYS HE3 H 1 2.84 . . 1 . . . . . . . . 447 1 190 . 1 1 15 15 LYS N N 15 123.7 . . 1 . . . . . . . . 447 1 191 . 1 1 16 16 HIS H H 1 8.75 . . 1 . . . . . . . . 447 1 192 . 1 1 16 16 HIS CA C 13 52.5 . . 1 . . . . . . . . 447 1 193 . 1 1 16 16 HIS HA H 1 5.12 . . 1 . . . . . . . . 447 1 194 . 1 1 16 16 HIS CB C 13 31.9 . . 1 . . . . . . . . 447 1 195 . 1 1 16 16 HIS CG C 13 132.6 . . 1 . . . . . . . . 447 1 196 . 1 1 16 16 HIS HB2 H 1 2.55 . . 2 . . . . . . . . 447 1 197 . 1 1 16 16 HIS HB3 H 1 2.57 . . 2 . . . . . . . . 447 1 198 . 1 1 16 16 HIS ND1 N 15 213.8 . . 1 . . . . . . . . 447 1 199 . 1 1 16 16 HIS CD2 C 13 119.2 . . 1 . . . . . . . . 447 1 200 . 1 1 16 16 HIS CE1 C 13 136.1 . . 1 . . . . . . . . 447 1 201 . 1 1 16 16 HIS NE2 N 15 183.8 . . 1 . . . . . . . . 447 1 202 . 1 1 16 16 HIS HD2 H 1 6.89 . . 1 . . . . . . . . 447 1 203 . 1 1 16 16 HIS HE1 H 1 7.99 . . 1 . . . . . . . . 447 1 204 . 1 1 16 16 HIS N N 15 125.3 . . 1 . . . . . . . . 447 1 205 . 1 1 17 17 GLU H H 1 8.91 . . 1 . . . . . . . . 447 1 206 . 1 1 17 17 GLU CA C 13 53.8 . . 1 . . . . . . . . 447 1 207 . 1 1 17 17 GLU HA H 1 5.21 . . 1 . . . . . . . . 447 1 208 . 1 1 17 17 GLU CB C 13 30.3 . . 1 . . . . . . . . 447 1 209 . 1 1 17 17 GLU CG C 13 35.2 . . 1 . . . . . . . . 447 1 210 . 1 1 17 17 GLU HB2 H 1 1.94 . . 1 . . . . . . . . 447 1 211 . 1 1 17 17 GLU HB3 H 1 1.94 . . 1 . . . . . . . . 447 1 212 . 1 1 17 17 GLU HG2 H 1 2.16 . . 1 . . . . . . . . 447 1 213 . 1 1 17 17 GLU HG3 H 1 2.16 . . 1 . . . . . . . . 447 1 214 . 1 1 17 17 GLU N N 15 125.3 . . 1 . . . . . . . . 447 1 215 . 1 1 18 18 ILE H H 1 9.25 . . 1 . . . . . . . . 447 1 216 . 1 1 18 18 ILE CA C 13 57.8 . . 1 . . . . . . . . 447 1 217 . 1 1 18 18 ILE HA H 1 4.88 . . 1 . . . . . . . . 447 1 218 . 1 1 18 18 ILE CB C 13 40.7 . . 1 . . . . . . . . 447 1 219 . 1 1 18 18 ILE CG1 C 13 24.1 . . 1 . . . . . . . . 447 1 220 . 1 1 18 18 ILE CG2 C 13 17.5 . . 1 . . . . . . . . 447 1 221 . 1 1 18 18 ILE HB H 1 1.95 . . 1 . . . . . . . . 447 1 222 . 1 1 18 18 ILE CD1 C 13 12.7 . . 1 . . . . . . . . 447 1 223 . 1 1 18 18 ILE HG12 H 1 1.11 . . 2 . . . . . . . . 447 1 224 . 1 1 18 18 ILE HG13 H 1 1.4 . . 2 . . . . . . . . 447 1 225 . 1 1 18 18 ILE HG21 H 1 1.98 . . 1 . . . . . . . . 447 1 226 . 1 1 18 18 ILE HG22 H 1 1.98 . . 1 . . . . . . . . 447 1 227 . 1 1 18 18 ILE HG23 H 1 1.98 . . 1 . . . . . . . . 447 1 228 . 1 1 18 18 ILE HD11 H 1 .67 . . 1 . . . . . . . . 447 1 229 . 1 1 18 18 ILE HD12 H 1 .67 . . 1 . . . . . . . . 447 1 230 . 1 1 18 18 ILE HD13 H 1 .67 . . 1 . . . . . . . . 447 1 231 . 1 1 18 18 ILE N N 15 121.1 . . 1 . . . . . . . . 447 1 232 . 1 1 19 19 GLU H H 1 8.68 . . 1 . . . . . . . . 447 1 233 . 1 1 19 19 GLU CA C 13 53.7 . . 1 . . . . . . . . 447 1 234 . 1 1 19 19 GLU HA H 1 5.04 . . 1 . . . . . . . . 447 1 235 . 1 1 19 19 GLU CB C 13 29.6 . . 1 . . . . . . . . 447 1 236 . 1 1 19 19 GLU CG C 13 35.2 . . 1 . . . . . . . . 447 1 237 . 1 1 19 19 GLU HB2 H 1 1.82 . . 2 . . . . . . . . 447 1 238 . 1 1 19 19 GLU HB3 H 1 1.9 . . 2 . . . . . . . . 447 1 239 . 1 1 19 19 GLU HG2 H 1 2.02 . . 2 . . . . . . . . 447 1 240 . 1 1 19 19 GLU HG3 H 1 2.23 . . 2 . . . . . . . . 447 1 241 . 1 1 19 19 GLU N N 15 123.6 . . 1 . . . . . . . . 447 1 242 . 1 1 20 20 VAL H H 1 9.6 . . 1 . . . . . . . . 447 1 243 . 1 1 20 20 VAL CA C 13 57.8 . . 1 . . . . . . . . 447 1 244 . 1 1 20 20 VAL HA H 1 4.71 . . 1 . . . . . . . . 447 1 245 . 1 1 20 20 VAL C C 13 171.7 . . 1 . . . . . . . . 447 1 246 . 1 1 20 20 VAL CB C 13 34 . . 1 . . . . . . . . 447 1 247 . 1 1 20 20 VAL CG1 C 13 20.3 . . 2 . . . . . . . . 447 1 248 . 1 1 20 20 VAL CG2 C 13 21.7 . . 2 . . . . . . . . 447 1 249 . 1 1 20 20 VAL HB H 1 2.12 . . 1 . . . . . . . . 447 1 250 . 1 1 20 20 VAL HG11 H 1 .92 . . 2 . . . . . . . . 447 1 251 . 1 1 20 20 VAL HG12 H 1 .92 . . 2 . . . . . . . . 447 1 252 . 1 1 20 20 VAL HG13 H 1 .92 . . 2 . . . . . . . . 447 1 253 . 1 1 20 20 VAL HG21 H 1 1.19 . . 2 . . . . . . . . 447 1 254 . 1 1 20 20 VAL HG22 H 1 1.19 . . 2 . . . . . . . . 447 1 255 . 1 1 20 20 VAL HG23 H 1 1.19 . . 2 . . . . . . . . 447 1 256 . 1 1 20 20 VAL N N 15 127.4 . . 1 . . . . . . . . 447 1 257 . 1 1 21 21 PRO CA C 13 61.2 . . 1 . . . . . . . . 447 1 258 . 1 1 21 21 PRO HA H 1 4.79 . . 1 . . . . . . . . 447 1 259 . 1 1 21 21 PRO C C 13 174.3 . . 1 . . . . . . . . 447 1 260 . 1 1 21 21 PRO CB C 13 31.9 . . 1 . . . . . . . . 447 1 261 . 1 1 21 21 PRO CG C 13 26.5 . . 1 . . . . . . . . 447 1 262 . 1 1 21 21 PRO HB2 H 1 2.91 . . 1 . . . . . . . . 447 1 263 . 1 1 21 21 PRO HB3 H 1 2.91 . . 1 . . . . . . . . 447 1 264 . 1 1 21 21 PRO CD C 13 50.3 . . 1 . . . . . . . . 447 1 265 . 1 1 21 21 PRO HG2 H 1 1.95 . . 2 . . . . . . . . 447 1 266 . 1 1 21 21 PRO HG3 H 1 2.2 . . 2 . . . . . . . . 447 1 267 . 1 1 21 21 PRO HD2 H 1 3.77 . . 2 . . . . . . . . 447 1 268 . 1 1 21 21 PRO HD3 H 1 3.97 . . 2 . . . . . . . . 447 1 269 . 1 1 21 21 PRO N N 15 139.3 . . 1 . . . . . . . . 447 1 270 . 1 1 22 22 ASP H H 1 8.67 . . 1 . . . . . . . . 447 1 271 . 1 1 22 22 ASP CA C 13 57.1 . . 1 . . . . . . . . 447 1 272 . 1 1 22 22 ASP HA H 1 4.4 . . 1 . . . . . . . . 447 1 273 . 1 1 22 22 ASP CB C 13 37.9 . . 1 . . . . . . . . 447 1 274 . 1 1 22 22 ASP HB2 H 1 2.66 . . 2 . . . . . . . . 447 1 275 . 1 1 22 22 ASP HB3 H 1 3.31 . . 2 . . . . . . . . 447 1 276 . 1 1 22 22 ASP N N 15 117.7 . . 1 . . . . . . . . 447 1 277 . 1 1 23 23 ASP H H 1 7.96 . . 1 . . . . . . . . 447 1 278 . 1 1 23 23 ASP CA C 13 50.5 . . 1 . . . . . . . . 447 1 279 . 1 1 23 23 ASP HA H 1 4.25 . . 1 . . . . . . . . 447 1 280 . 1 1 23 23 ASP CB C 13 37.9 . . 1 . . . . . . . . 447 1 281 . 1 1 23 23 ASP HB2 H 1 2.9 . . 2 . . . . . . . . 447 1 282 . 1 1 23 23 ASP HB3 H 1 2.31 . . 2 . . . . . . . . 447 1 283 . 1 1 23 23 ASP N N 15 118.2 . . 1 . . . . . . . . 447 1 284 . 1 1 24 24 GLU H H 1 8.04 . . 1 . . . . . . . . 447 1 285 . 1 1 24 24 GLU CA C 13 53 . . 1 . . . . . . . . 447 1 286 . 1 1 24 24 GLU HA H 1 4.67 . . 1 . . . . . . . . 447 1 287 . 1 1 24 24 GLU CB C 13 31.4 . . 1 . . . . . . . . 447 1 288 . 1 1 24 24 GLU CG C 13 33.7 . . 1 . . . . . . . . 447 1 289 . 1 1 24 24 GLU HB2 H 1 1.81 . . 2 . . . . . . . . 447 1 290 . 1 1 24 24 GLU HB3 H 1 2.17 . . 2 . . . . . . . . 447 1 291 . 1 1 24 24 GLU CD C 13 181 . . 1 . . . . . . . . 447 1 292 . 1 1 24 24 GLU HG2 H 1 2.51 . . 1 . . . . . . . . 447 1 293 . 1 1 24 24 GLU HG3 H 1 2.51 . . 1 . . . . . . . . 447 1 294 . 1 1 24 24 GLU N N 15 122.8 . . 1 . . . . . . . . 447 1 295 . 1 1 25 25 TYR H H 1 8.42 . . 1 . . . . . . . . 447 1 296 . 1 1 25 25 TYR CA C 13 53 . . 1 . . . . . . . . 447 1 297 . 1 1 25 25 TYR HA H 1 4.7 . . 1 . . . . . . . . 447 1 298 . 1 1 25 25 TYR C C 13 177.7 . . 1 . . . . . . . . 447 1 299 . 1 1 25 25 TYR CB C 13 37 . . 1 . . . . . . . . 447 1 300 . 1 1 25 25 TYR CG C 13 128 . . 1 . . . . . . . . 447 1 301 . 1 1 25 25 TYR HB2 H 1 2.78 . . 1 . . . . . . . . 447 1 302 . 1 1 25 25 TYR HB3 H 1 2.78 . . 1 . . . . . . . . 447 1 303 . 1 1 25 25 TYR CD1 C 13 130.4 . . 1 . . . . . . . . 447 1 304 . 1 1 25 25 TYR CD2 C 13 130.4 . . 1 . . . . . . . . 447 1 305 . 1 1 25 25 TYR CE1 C 13 116 . . 1 . . . . . . . . 447 1 306 . 1 1 25 25 TYR HD1 H 1 6.39 . . 1 . . . . . . . . 447 1 307 . 1 1 25 25 TYR CE2 C 13 116 . . 1 . . . . . . . . 447 1 308 . 1 1 25 25 TYR HD2 H 1 6.39 . . 1 . . . . . . . . 447 1 309 . 1 1 25 25 TYR CZ C 13 154.8 . . 1 . . . . . . . . 447 1 310 . 1 1 25 25 TYR N N 15 121.3 . . 1 . . . . . . . . 447 1 311 . 1 1 26 26 ILE H H 1 8.95 . . 1 . . . . . . . . 447 1 312 . 1 1 26 26 ILE CA C 13 65.3 . . 1 . . . . . . . . 447 1 313 . 1 1 26 26 ILE HA H 1 3.61 . . 1 . . . . . . . . 447 1 314 . 1 1 26 26 ILE C C 13 175.3 . . 1 . . . . . . . . 447 1 315 . 1 1 26 26 ILE CB C 13 37.3 . . 1 . . . . . . . . 447 1 316 . 1 1 26 26 ILE CG1 C 13 29.3 . . 1 . . . . . . . . 447 1 317 . 1 1 26 26 ILE CG2 C 13 14.6 . . 1 . . . . . . . . 447 1 318 . 1 1 26 26 ILE HB H 1 1.86 . . 1 . . . . . . . . 447 1 319 . 1 1 26 26 ILE CD1 C 13 12 . . 1 . . . . . . . . 447 1 320 . 1 1 26 26 ILE HG12 H 1 1.04 . . 2 . . . . . . . . 447 1 321 . 1 1 26 26 ILE HG13 H 1 2.28 . . 2 . . . . . . . . 447 1 322 . 1 1 26 26 ILE HG21 H 1 .78 . . 1 . . . . . . . . 447 1 323 . 1 1 26 26 ILE HG22 H 1 .78 . . 1 . . . . . . . . 447 1 324 . 1 1 26 26 ILE HG23 H 1 .78 . . 1 . . . . . . . . 447 1 325 . 1 1 26 26 ILE HD11 H 1 .76 . . 1 . . . . . . . . 447 1 326 . 1 1 26 26 ILE HD12 H 1 .76 . . 1 . . . . . . . . 447 1 327 . 1 1 26 26 ILE HD13 H 1 .76 . . 1 . . . . . . . . 447 1 328 . 1 1 26 26 ILE N N 15 120.6 . . 1 . . . . . . . . 447 1 329 . 1 1 27 27 LEU H H 1 7.33 . . 1 . . . . . . . . 447 1 330 . 1 1 27 27 LEU CA C 13 57.9 . . 1 . . . . . . . . 447 1 331 . 1 1 27 27 LEU HA H 1 3.94 . . 1 . . . . . . . . 447 1 332 . 1 1 27 27 LEU CB C 13 41.2 . . 1 . . . . . . . . 447 1 333 . 1 1 27 27 LEU N N 15 116.7 . . 1 . . . . . . . . 447 1 334 . 1 1 28 28 ASP H H 1 6.75 . . 1 . . . . . . . . 447 1 335 . 1 1 28 28 ASP CA C 13 55.9 . . 1 . . . . . . . . 447 1 336 . 1 1 28 28 ASP HA H 1 4.23 . . 1 . . . . . . . . 447 1 337 . 1 1 28 28 ASP CB C 13 38.8 . . 1 . . . . . . . . 447 1 338 . 1 1 28 28 ASP HB2 H 1 2.87 . . 1 . . . . . . . . 447 1 339 . 1 1 28 28 ASP HB3 H 1 2.87 . . 1 . . . . . . . . 447 1 340 . 1 1 28 28 ASP N N 15 117.9 . . 1 . . . . . . . . 447 1 341 . 1 1 29 29 ALA H H 1 8.12 . . 1 . . . . . . . . 447 1 342 . 1 1 29 29 ALA CA C 13 53.4 . . 1 . . . . . . . . 447 1 343 . 1 1 29 29 ALA HA H 1 4.33 . . 1 . . . . . . . . 447 1 344 . 1 1 29 29 ALA C C 13 178.2 . . 1 . . . . . . . . 447 1 345 . 1 1 29 29 ALA CB C 13 19.1 . . 1 . . . . . . . . 447 1 346 . 1 1 29 29 ALA HB1 H 1 1.62 . . 1 . . . . . . . . 447 1 347 . 1 1 29 29 ALA HB2 H 1 1.62 . . 1 . . . . . . . . 447 1 348 . 1 1 29 29 ALA HB3 H 1 1.62 . . 1 . . . . . . . . 447 1 349 . 1 1 29 29 ALA N N 15 123.4 . . 1 . . . . . . . . 447 1 350 . 1 1 30 30 ALA H H 1 8.61 . . 1 . . . . . . . . 447 1 351 . 1 1 30 30 ALA CA C 13 54.4 . . 1 . . . . . . . . 447 1 352 . 1 1 30 30 ALA HA H 1 3.99 . . 1 . . . . . . . . 447 1 353 . 1 1 30 30 ALA CB C 13 16.5 . . 1 . . . . . . . . 447 1 354 . 1 1 30 30 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 447 1 355 . 1 1 30 30 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 447 1 356 . 1 1 30 30 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 447 1 357 . 1 1 30 30 ALA N N 15 121.9 . . 1 . . . . . . . . 447 1 358 . 1 1 31 31 GLU H H 1 8.48 . . 1 . . . . . . . . 447 1 359 . 1 1 31 31 GLU CA C 13 57.8 . . 1 . . . . . . . . 447 1 360 . 1 1 31 31 GLU HA H 1 4.2 . . 1 . . . . . . . . 447 1 361 . 1 1 31 31 GLU CB C 13 28.7 . . 1 . . . . . . . . 447 1 362 . 1 1 31 31 GLU CG C 13 35.1 . . 1 . . . . . . . . 447 1 363 . 1 1 31 31 GLU HB2 H 1 2.1 . . 2 . . . . . . . . 447 1 364 . 1 1 31 31 GLU HB3 H 1 2.38 . . 2 . . . . . . . . 447 1 365 . 1 1 31 31 GLU HG2 H 1 2.57 . . 1 . . . . . . . . 447 1 366 . 1 1 31 31 GLU HG3 H 1 2.57 . . 1 . . . . . . . . 447 1 367 . 1 1 31 31 GLU N N 15 120 . . 1 . . . . . . . . 447 1 368 . 1 1 32 32 GLU H H 1 8.35 . . 1 . . . . . . . . 447 1 369 . 1 1 32 32 GLU CA C 13 57.6 . . 1 . . . . . . . . 447 1 370 . 1 1 32 32 GLU HA H 1 4.12 . . 1 . . . . . . . . 447 1 371 . 1 1 32 32 GLU C C 13 176.9 . . 1 . . . . . . . . 447 1 372 . 1 1 32 32 GLU CB C 13 27.9 . . 1 . . . . . . . . 447 1 373 . 1 1 32 32 GLU CG C 13 34.9 . . 1 . . . . . . . . 447 1 374 . 1 1 32 32 GLU HB2 H 1 2.3 . . 2 . . . . . . . . 447 1 375 . 1 1 32 32 GLU HB3 H 1 2.38 . . 2 . . . . . . . . 447 1 376 . 1 1 32 32 GLU HG2 H 1 2.43 . . 2 . . . . . . . . 447 1 377 . 1 1 32 32 GLU HG3 H 1 2.52 . . 2 . . . . . . . . 447 1 378 . 1 1 32 32 GLU N N 15 122.4 . . 1 . . . . . . . . 447 1 379 . 1 1 33 33 GLN H H 1 7.62 . . 1 . . . . . . . . 447 1 380 . 1 1 33 33 GLN CA C 13 54.4 . . 1 . . . . . . . . 447 1 381 . 1 1 33 33 GLN HA H 1 4.35 . . 1 . . . . . . . . 447 1 382 . 1 1 33 33 GLN C C 13 173.4 . . 1 . . . . . . . . 447 1 383 . 1 1 33 33 GLN CB C 13 27.8 . . 1 . . . . . . . . 447 1 384 . 1 1 33 33 GLN CG C 13 32.2 . . 1 . . . . . . . . 447 1 385 . 1 1 33 33 GLN HB2 H 1 2.05 . . 2 . . . . . . . . 447 1 386 . 1 1 33 33 GLN HB3 H 1 2.73 . . 2 . . . . . . . . 447 1 387 . 1 1 33 33 GLN CD C 13 178.9 . . 1 . . . . . . . . 447 1 388 . 1 1 33 33 GLN HG2 H 1 2.58 . . 2 . . . . . . . . 447 1 389 . 1 1 33 33 GLN HG3 H 1 2.69 . . 2 . . . . . . . . 447 1 390 . 1 1 33 33 GLN NE2 N 15 114.8 . . 1 . . . . . . . . 447 1 391 . 1 1 33 33 GLN HE21 H 1 7.48 . . 2 . . . . . . . . 447 1 392 . 1 1 33 33 GLN HE22 H 1 7.73 . . 2 . . . . . . . . 447 1 393 . 1 1 33 33 GLN N N 15 116.9 . . 1 . . . . . . . . 447 1 394 . 1 1 34 34 GLY H H 1 7.73 . . 1 . . . . . . . . 447 1 395 . 1 1 34 34 GLY CA C 13 43.8 . . 1 . . . . . . . . 447 1 396 . 1 1 34 34 GLY HA2 H 1 3.68 . . 2 . . . . . . . . 447 1 397 . 1 1 34 34 GLY C C 13 172.4 . . 1 . . . . . . . . 447 1 398 . 1 1 34 34 GLY HA3 H 1 3.96 . . 2 . . . . . . . . 447 1 399 . 1 1 34 34 GLY N N 15 107.4 . . 1 . . . . . . . . 447 1 400 . 1 1 35 35 TYR H H 1 8.27 . . 1 . . . . . . . . 447 1 401 . 1 1 35 35 TYR CA C 13 56 . . 1 . . . . . . . . 447 1 402 . 1 1 35 35 TYR HA H 1 4.5 . . 1 . . . . . . . . 447 1 403 . 1 1 35 35 TYR CB C 13 36.9 . . 1 . . . . . . . . 447 1 404 . 1 1 35 35 TYR CG C 13 129.3 . . 1 . . . . . . . . 447 1 405 . 1 1 35 35 TYR HB2 H 1 2.49 . . 2 . . . . . . . . 447 1 406 . 1 1 35 35 TYR HB3 H 1 2.81 . . 2 . . . . . . . . 447 1 407 . 1 1 35 35 TYR CD1 C 13 130.7 . . 1 . . . . . . . . 447 1 408 . 1 1 35 35 TYR CD2 C 13 130.7 . . 1 . . . . . . . . 447 1 409 . 1 1 35 35 TYR CE1 C 13 116.1 . . 1 . . . . . . . . 447 1 410 . 1 1 35 35 TYR HD1 H 1 6.8 . . 1 . . . . . . . . 447 1 411 . 1 1 35 35 TYR CE2 C 13 116.1 . . 1 . . . . . . . . 447 1 412 . 1 1 35 35 TYR HD2 H 1 6.8 . . 1 . . . . . . . . 447 1 413 . 1 1 35 35 TYR CZ C 13 154.8 . . 1 . . . . . . . . 447 1 414 . 1 1 35 35 TYR HE1 H 1 6.34 . . 1 . . . . . . . . 447 1 415 . 1 1 35 35 TYR HE2 H 1 6.34 . . 1 . . . . . . . . 447 1 416 . 1 1 35 35 TYR N N 15 123.1 . . 1 . . . . . . . . 447 1 417 . 1 1 36 36 ASP H H 1 8.34 . . 1 . . . . . . . . 447 1 418 . 1 1 36 36 ASP CA C 13 52.4 . . 1 . . . . . . . . 447 1 419 . 1 1 36 36 ASP HA H 1 4.84 . . 1 . . . . . . . . 447 1 420 . 1 1 36 36 ASP CB C 13 40 . . 1 . . . . . . . . 447 1 421 . 1 1 36 36 ASP CG C 13 178.9 . . 1 . . . . . . . . 447 1 422 . 1 1 36 36 ASP HB2 H 1 2.58 . . 2 . . . . . . . . 447 1 423 . 1 1 36 36 ASP HB3 H 1 2.73 . . 2 . . . . . . . . 447 1 424 . 1 1 36 36 ASP N N 15 123 . . 1 . . . . . . . . 447 1 425 . 1 1 37 37 LEU H H 1 8.22 . . 1 . . . . . . . . 447 1 426 . 1 1 37 37 LEU CA C 13 50.4 . . 1 . . . . . . . . 447 1 427 . 1 1 37 37 LEU HA H 1 4.73 . . 1 . . . . . . . . 447 1 428 . 1 1 37 37 LEU C C 13 173.2 . . 1 . . . . . . . . 447 1 429 . 1 1 37 37 LEU CB C 13 41.6 . . 1 . . . . . . . . 447 1 430 . 1 1 37 37 LEU CG C 13 26 . . 1 . . . . . . . . 447 1 431 . 1 1 37 37 LEU HB2 H 1 1.53 . . 2 . . . . . . . . 447 1 432 . 1 1 37 37 LEU HB3 H 1 2.01 . . 2 . . . . . . . . 447 1 433 . 1 1 37 37 LEU CD1 C 13 22 . . 2 . . . . . . . . 447 1 434 . 1 1 37 37 LEU CD2 C 13 23.9 . . 2 . . . . . . . . 447 1 435 . 1 1 37 37 LEU HG H 1 1.67 . . 1 . . . . . . . . 447 1 436 . 1 1 37 37 LEU HD11 H 1 .86 . . 2 . . . . . . . . 447 1 437 . 1 1 37 37 LEU HD12 H 1 .86 . . 2 . . . . . . . . 447 1 438 . 1 1 37 37 LEU HD13 H 1 .86 . . 2 . . . . . . . . 447 1 439 . 1 1 37 37 LEU HD21 H 1 1.07 . . 2 . . . . . . . . 447 1 440 . 1 1 37 37 LEU HD22 H 1 1.07 . . 2 . . . . . . . . 447 1 441 . 1 1 37 37 LEU HD23 H 1 1.07 . . 2 . . . . . . . . 447 1 442 . 1 1 37 37 LEU N N 15 127 . . 1 . . . . . . . . 447 1 443 . 1 1 38 38 PRO CA C 13 61.2 . . 1 . . . . . . . . 447 1 444 . 1 1 38 38 PRO HA H 1 4.4 . . 1 . . . . . . . . 447 1 445 . 1 1 38 38 PRO C C 13 175 . . 1 . . . . . . . . 447 1 446 . 1 1 38 38 PRO CB C 13 30.7 . . 1 . . . . . . . . 447 1 447 . 1 1 38 38 PRO CG C 13 26.3 . . 1 . . . . . . . . 447 1 448 . 1 1 38 38 PRO CD C 13 48 . . 1 . . . . . . . . 447 1 449 . 1 1 38 38 PRO HD2 H 1 3.15 . . 2 . . . . . . . . 447 1 450 . 1 1 38 38 PRO HD3 H 1 3.2 . . 2 . . . . . . . . 447 1 451 . 1 1 38 38 PRO N N 15 134.3 . . 1 . . . . . . . . 447 1 452 . 1 1 39 39 PHE CG C 13 136.3 . . 1 . . . . . . . . 447 1 453 . 1 1 39 39 PHE CD1 C 13 132.2 . . 1 . . . . . . . . 447 1 454 . 1 1 39 39 PHE CD2 C 13 132.2 . . 1 . . . . . . . . 447 1 455 . 1 1 39 39 PHE CE1 C 13 130.4 . . 1 . . . . . . . . 447 1 456 . 1 1 39 39 PHE CE2 C 13 130.4 . . 1 . . . . . . . . 447 1 457 . 1 1 39 39 PHE CZ C 13 129.9 . . 1 . . . . . . . . 447 1 458 . 1 1 39 39 PHE HE1 H 1 7.23 . . 1 . . . . . . . . 447 1 459 . 1 1 39 39 PHE HE2 H 1 7.23 . . 1 . . . . . . . . 447 1 460 . 1 1 39 39 PHE HZ H 1 7.34 . . 1 . . . . . . . . 447 1 461 . 1 1 42 42 ARG NE N 15 84.9 . . 1 . . . . . . . . 447 1 462 . 1 1 42 42 ARG CZ C 13 157.1 . . 1 . . . . . . . . 447 1 463 . 1 1 42 42 ARG HE H 1 7.13 . . 1 . . . . . . . . 447 1 464 . 1 1 42 42 ARG NH1 N 15 71.4 . . 2 . . . . . . . . 447 1 465 . 1 1 42 42 ARG NH2 N 15 73.2 . . 2 . . . . . . . . 447 1 466 . 1 1 50 50 ALA CA C 13 52 . . 1 . . . . . . . . 447 1 467 . 1 1 50 50 ALA C C 13 176.9 . . 1 . . . . . . . . 447 1 468 . 1 1 50 50 ALA CB C 13 17.7 . . 1 . . . . . . . . 447 1 469 . 1 1 50 50 ALA HB1 H 1 1.2 . . 1 . . . . . . . . 447 1 470 . 1 1 50 50 ALA HB2 H 1 1.2 . . 1 . . . . . . . . 447 1 471 . 1 1 50 50 ALA HB3 H 1 1.2 . . 1 . . . . . . . . 447 1 472 . 1 1 51 51 GLY H H 1 9.82 . . 1 . . . . . . . . 447 1 473 . 1 1 51 51 GLY CA C 13 42.3 . . 1 . . . . . . . . 447 1 474 . 1 1 51 51 GLY HA2 H 1 3.41 . . 2 . . . . . . . . 447 1 475 . 1 1 51 51 GLY C C 13 169.6 . . 1 . . . . . . . . 447 1 476 . 1 1 51 51 GLY HA3 H 1 4.93 . . 2 . . . . . . . . 447 1 477 . 1 1 51 51 GLY N N 15 113.1 . . 1 . . . . . . . . 447 1 478 . 1 1 52 52 LYS H H 1 9.54 . . 1 . . . . . . . . 447 1 479 . 1 1 52 52 LYS CA C 13 53.6 . . 1 . . . . . . . . 447 1 480 . 1 1 52 52 LYS HA H 1 4.81 . . 1 . . . . . . . . 447 1 481 . 1 1 52 52 LYS C C 13 173.6 . . 1 . . . . . . . . 447 1 482 . 1 1 52 52 LYS CB C 13 36.1 . . 1 . . . . . . . . 447 1 483 . 1 1 52 52 LYS CG C 13 23.9 . . 1 . . . . . . . . 447 1 484 . 1 1 52 52 LYS HB2 H 1 1.24 . . 2 . . . . . . . . 447 1 485 . 1 1 52 52 LYS HB3 H 1 1.86 . . 2 . . . . . . . . 447 1 486 . 1 1 52 52 LYS CD C 13 27.9 . . 1 . . . . . . . . 447 1 487 . 1 1 52 52 LYS HG2 H 1 .29 . . 2 . . . . . . . . 447 1 488 . 1 1 52 52 LYS HG3 H 1 1.07 . . 2 . . . . . . . . 447 1 489 . 1 1 52 52 LYS CE C 13 40.5 . . 1 . . . . . . . . 447 1 490 . 1 1 52 52 LYS HD2 H 1 1.43 . . 1 . . . . . . . . 447 1 491 . 1 1 52 52 LYS HD3 H 1 1.43 . . 1 . . . . . . . . 447 1 492 . 1 1 52 52 LYS NZ N 15 35 . . 1 . . . . . . . . 447 1 493 . 1 1 52 52 LYS HE2 H 1 1.31 . . 2 . . . . . . . . 447 1 494 . 1 1 52 52 LYS HE3 H 1 2.73 . . 2 . . . . . . . . 447 1 495 . 1 1 52 52 LYS N N 15 123.1 . . 1 . . . . . . . . 447 1 496 . 1 1 53 53 LEU H H 1 9.5 . . 1 . . . . . . . . 447 1 497 . 1 1 53 53 LEU CA C 13 55 . . 1 . . . . . . . . 447 1 498 . 1 1 53 53 LEU HA H 1 4.14 . . 1 . . . . . . . . 447 1 499 . 1 1 53 53 LEU C C 13 175.3 . . 1 . . . . . . . . 447 1 500 . 1 1 53 53 LEU CB C 13 41.2 . . 1 . . . . . . . . 447 1 501 . 1 1 53 53 LEU CG C 13 25.4 . . 1 . . . . . . . . 447 1 502 . 1 1 53 53 LEU HB2 H 1 1.29 . . 2 . . . . . . . . 447 1 503 . 1 1 53 53 LEU HB3 H 1 1.67 . . 2 . . . . . . . . 447 1 504 . 1 1 53 53 LEU CD1 C 13 21.6 . . 2 . . . . . . . . 447 1 505 . 1 1 53 53 LEU CD2 C 13 22.7 . . 2 . . . . . . . . 447 1 506 . 1 1 53 53 LEU HG H 1 1.5 . . 1 . . . . . . . . 447 1 507 . 1 1 53 53 LEU HD11 H 1 .67 . . 2 . . . . . . . . 447 1 508 . 1 1 53 53 LEU HD12 H 1 .67 . . 2 . . . . . . . . 447 1 509 . 1 1 53 53 LEU HD13 H 1 .67 . . 2 . . . . . . . . 447 1 510 . 1 1 53 53 LEU HD21 H 1 .81 . . 2 . . . . . . . . 447 1 511 . 1 1 53 53 LEU HD22 H 1 .81 . . 2 . . . . . . . . 447 1 512 . 1 1 53 53 LEU HD23 H 1 .81 . . 2 . . . . . . . . 447 1 513 . 1 1 53 53 LEU N N 15 130.3 . . 1 . . . . . . . . 447 1 514 . 1 1 54 54 VAL H H 1 9.09 . . 1 . . . . . . . . 447 1 515 . 1 1 54 54 VAL CA C 13 62.2 . . 1 . . . . . . . . 447 1 516 . 1 1 54 54 VAL HA H 1 3.97 . . 1 . . . . . . . . 447 1 517 . 1 1 54 54 VAL C C 13 174.7 . . 1 . . . . . . . . 447 1 518 . 1 1 54 54 VAL CB C 13 31.4 . . 1 . . . . . . . . 447 1 519 . 1 1 54 54 VAL CG1 C 13 18.8 . . 2 . . . . . . . . 447 1 520 . 1 1 54 54 VAL CG2 C 13 20 . . 2 . . . . . . . . 447 1 521 . 1 1 54 54 VAL HB H 1 1.79 . . 1 . . . . . . . . 447 1 522 . 1 1 54 54 VAL HG11 H 1 .93 . . 1 . . . . . . . . 447 1 523 . 1 1 54 54 VAL HG12 H 1 .93 . . 1 . . . . . . . . 447 1 524 . 1 1 54 54 VAL HG13 H 1 .93 . . 1 . . . . . . . . 447 1 525 . 1 1 54 54 VAL HG21 H 1 .93 . . 1 . . . . . . . . 447 1 526 . 1 1 54 54 VAL HG22 H 1 .93 . . 1 . . . . . . . . 447 1 527 . 1 1 54 54 VAL HG23 H 1 .93 . . 1 . . . . . . . . 447 1 528 . 1 1 54 54 VAL N N 15 126.4 . . 1 . . . . . . . . 447 1 529 . 1 1 55 55 SER H H 1 7.84 . . 1 . . . . . . . . 447 1 530 . 1 1 55 55 SER CA C 13 56.3 . . 1 . . . . . . . . 447 1 531 . 1 1 55 55 SER HA H 1 4.62 . . 1 . . . . . . . . 447 1 532 . 1 1 55 55 SER CB C 13 63.2 . . 1 . . . . . . . . 447 1 533 . 1 1 55 55 SER HB2 H 1 3.78 . . 2 . . . . . . . . 447 1 534 . 1 1 55 55 SER HB3 H 1 3.88 . . 2 . . . . . . . . 447 1 535 . 1 1 55 55 SER N N 15 112.7 . . 1 . . . . . . . . 447 1 536 . 1 1 56 56 GLY H H 1 8.44 . . 1 . . . . . . . . 447 1 537 . 1 1 56 56 GLY CA C 13 42.3 . . 1 . . . . . . . . 447 1 538 . 1 1 56 56 GLY HA2 H 1 3.79 . . 2 . . . . . . . . 447 1 539 . 1 1 56 56 GLY C C 13 170.7 . . 1 . . . . . . . . 447 1 540 . 1 1 56 56 GLY HA3 H 1 4.83 . . 2 . . . . . . . . 447 1 541 . 1 1 56 56 GLY N N 15 110.5 . . 1 . . . . . . . . 447 1 542 . 1 1 57 57 THR H H 1 7.94 . . 1 . . . . . . . . 447 1 543 . 1 1 57 57 THR CA C 13 57.9 . . 1 . . . . . . . . 447 1 544 . 1 1 57 57 THR HA H 1 4.73 . . 1 . . . . . . . . 447 1 545 . 1 1 57 57 THR C C 13 171.7 . . 1 . . . . . . . . 447 1 546 . 1 1 57 57 THR CB C 13 70.7 . . 1 . . . . . . . . 447 1 547 . 1 1 57 57 THR CG2 C 13 19.7 . . 1 . . . . . . . . 447 1 548 . 1 1 57 57 THR HB H 1 4.02 . . 1 . . . . . . . . 447 1 549 . 1 1 57 57 THR HG21 H 1 1.01 . . 1 . . . . . . . . 447 1 550 . 1 1 57 57 THR HG22 H 1 1.01 . . 1 . . . . . . . . 447 1 551 . 1 1 57 57 THR HG23 H 1 1.01 . . 1 . . . . . . . . 447 1 552 . 1 1 57 57 THR N N 15 107.4 . . 1 . . . . . . . . 447 1 553 . 1 1 58 58 VAL H H 1 8.27 . . 1 . . . . . . . . 447 1 554 . 1 1 58 58 VAL CA C 13 56.5 . . 1 . . . . . . . . 447 1 555 . 1 1 58 58 VAL HA H 1 5.12 . . 1 . . . . . . . . 447 1 556 . 1 1 58 58 VAL C C 13 173.4 . . 1 . . . . . . . . 447 1 557 . 1 1 58 58 VAL CB C 13 34.5 . . 1 . . . . . . . . 447 1 558 . 1 1 58 58 VAL CG1 C 13 17 . . 2 . . . . . . . . 447 1 559 . 1 1 58 58 VAL CG2 C 13 20.5 . . 2 . . . . . . . . 447 1 560 . 1 1 58 58 VAL HB H 1 2.01 . . 1 . . . . . . . . 447 1 561 . 1 1 58 58 VAL HG11 H 1 .73 . . 2 . . . . . . . . 447 1 562 . 1 1 58 58 VAL HG12 H 1 .73 . . 2 . . . . . . . . 447 1 563 . 1 1 58 58 VAL HG13 H 1 .73 . . 2 . . . . . . . . 447 1 564 . 1 1 58 58 VAL HG21 H 1 .76 . . 2 . . . . . . . . 447 1 565 . 1 1 58 58 VAL HG22 H 1 .76 . . 2 . . . . . . . . 447 1 566 . 1 1 58 58 VAL HG23 H 1 .76 . . 2 . . . . . . . . 447 1 567 . 1 1 58 58 VAL N N 15 110.2 . . 1 . . . . . . . . 447 1 568 . 1 1 59 59 ASP H H 1 9.49 . . 1 . . . . . . . . 447 1 569 . 1 1 59 59 ASP CA C 13 51.6 . . 1 . . . . . . . . 447 1 570 . 1 1 59 59 ASP HA H 1 5.05 . . 1 . . . . . . . . 447 1 571 . 1 1 59 59 ASP CB C 13 41.1 . . 1 . . . . . . . . 447 1 572 . 1 1 59 59 ASP CG C 13 179.1 . . 1 . . . . . . . . 447 1 573 . 1 1 59 59 ASP HB2 H 1 2.49 . . 2 . . . . . . . . 447 1 574 . 1 1 59 59 ASP HB3 H 1 3.1 . . 2 . . . . . . . . 447 1 575 . 1 1 59 59 ASP N N 15 121.9 . . 1 . . . . . . . . 447 1 576 . 1 1 60 60 GLN H H 1 9.26 . . 1 . . . . . . . . 447 1 577 . 1 1 60 60 GLN CA C 13 51.1 . . 1 . . . . . . . . 447 1 578 . 1 1 60 60 GLN HA H 1 5.74 . . 1 . . . . . . . . 447 1 579 . 1 1 60 60 GLN CB C 13 26.4 . . 1 . . . . . . . . 447 1 580 . 1 1 60 60 GLN CG C 13 30.1 . . 1 . . . . . . . . 447 1 581 . 1 1 60 60 GLN HB2 H 1 1.39 . . 1 . . . . . . . . 447 1 582 . 1 1 60 60 GLN HB3 H 1 1.39 . . 1 . . . . . . . . 447 1 583 . 1 1 60 60 GLN CD C 13 176 . . 1 . . . . . . . . 447 1 584 . 1 1 60 60 GLN HG2 H 1 2.29 . . 2 . . . . . . . . 447 1 585 . 1 1 60 60 GLN HG3 H 1 2.48 . . 2 . . . . . . . . 447 1 586 . 1 1 60 60 GLN NE2 N 15 108.6 . . 1 . . . . . . . . 447 1 587 . 1 1 60 60 GLN HE21 H 1 6.86 . . 2 . . . . . . . . 447 1 588 . 1 1 60 60 GLN HE22 H 1 7.06 . . 2 . . . . . . . . 447 1 589 . 1 1 60 60 GLN N N 15 125.1 . . 1 . . . . . . . . 447 1 590 . 1 1 61 61 SER H H 1 8.43 . . 1 . . . . . . . . 447 1 591 . 1 1 61 61 SER CA C 13 60.9 . . 1 . . . . . . . . 447 1 592 . 1 1 61 61 SER HA H 1 4.27 . . 1 . . . . . . . . 447 1 593 . 1 1 61 61 SER C C 13 173.7 . . 1 . . . . . . . . 447 1 594 . 1 1 61 61 SER CB C 13 61.7 . . 1 . . . . . . . . 447 1 595 . 1 1 61 61 SER HB2 H 1 4.08 . . 2 . . . . . . . . 447 1 596 . 1 1 61 61 SER HB3 H 1 4.15 . . 2 . . . . . . . . 447 1 597 . 1 1 61 61 SER N N 15 118.8 . . 1 . . . . . . . . 447 1 598 . 1 1 62 62 ASP H H 1 8.83 . . 1 . . . . . . . . 447 1 599 . 1 1 62 62 ASP CA C 13 54 . . 1 . . . . . . . . 447 1 600 . 1 1 62 62 ASP HA H 1 4.78 . . 1 . . . . . . . . 447 1 601 . 1 1 62 62 ASP CB C 13 39.7 . . 1 . . . . . . . . 447 1 602 . 1 1 62 62 ASP HB2 H 1 2.51 . . 2 . . . . . . . . 447 1 603 . 1 1 62 62 ASP HB3 H 1 2.58 . . 2 . . . . . . . . 447 1 604 . 1 1 62 62 ASP N N 15 120.3 . . 1 . . . . . . . . 447 1 605 . 1 1 63 63 GLN H H 1 8.57 . . 1 . . . . . . . . 447 1 606 . 1 1 63 63 GLN CA C 13 54.2 . . 1 . . . . . . . . 447 1 607 . 1 1 63 63 GLN HA H 1 4.41 . . 1 . . . . . . . . 447 1 608 . 1 1 63 63 GLN CB C 13 25.9 . . 1 . . . . . . . . 447 1 609 . 1 1 63 63 GLN CG C 13 30.9 . . 1 . . . . . . . . 447 1 610 . 1 1 63 63 GLN HB2 H 1 2.08 . . 2 . . . . . . . . 447 1 611 . 1 1 63 63 GLN HB3 H 1 2.51 . . 2 . . . . . . . . 447 1 612 . 1 1 63 63 GLN CD C 13 177.5 . . 1 . . . . . . . . 447 1 613 . 1 1 63 63 GLN NE2 N 15 111.9 . . 1 . . . . . . . . 447 1 614 . 1 1 63 63 GLN HE21 H 1 6.94 . . 2 . . . . . . . . 447 1 615 . 1 1 63 63 GLN HE22 H 1 7.44 . . 2 . . . . . . . . 447 1 616 . 1 1 63 63 GLN N N 15 123.7 . . 1 . . . . . . . . 447 1 617 . 1 1 64 64 SER CA C 13 56.2 . . 1 . . . . . . . . 447 1 618 . 1 1 64 64 SER HA H 1 4.77 . . 1 . . . . . . . . 447 1 619 . 1 1 64 64 SER CB C 13 63.6 . . 1 . . . . . . . . 447 1 620 . 1 1 64 64 SER HB2 H 1 3.73 . . 2 . . . . . . . . 447 1 621 . 1 1 64 64 SER HB3 H 1 4.01 . . 2 . . . . . . . . 447 1 622 . 1 1 65 65 PHE CA C 13 59.4 . . 1 . . . . . . . . 447 1 623 . 1 1 65 65 PHE HA H 1 4.44 . . 1 . . . . . . . . 447 1 624 . 1 1 65 65 PHE CB C 13 42.3 . . 1 . . . . . . . . 447 1 625 . 1 1 65 65 PHE CG C 13 137.2 . . 1 . . . . . . . . 447 1 626 . 1 1 65 65 PHE CD1 C 13 130.3 . . 1 . . . . . . . . 447 1 627 . 1 1 65 65 PHE CD2 C 13 130.3 . . 1 . . . . . . . . 447 1 628 . 1 1 65 65 PHE CE1 C 13 129.2 . . 1 . . . . . . . . 447 1 629 . 1 1 65 65 PHE HD1 H 1 7.56 . . 1 . . . . . . . . 447 1 630 . 1 1 65 65 PHE CE2 C 13 129.2 . . 1 . . . . . . . . 447 1 631 . 1 1 65 65 PHE HD2 H 1 7.56 . . 1 . . . . . . . . 447 1 632 . 1 1 65 65 PHE CZ C 13 128.3 . . 1 . . . . . . . . 447 1 633 . 1 1 65 65 PHE HE1 H 1 7.45 . . 1 . . . . . . . . 447 1 634 . 1 1 65 65 PHE HE2 H 1 7.45 . . 1 . . . . . . . . 447 1 635 . 1 1 65 65 PHE HZ H 1 7.35 . . 1 . . . . . . . . 447 1 636 . 1 1 66 66 LEU H H 1 10.48 . . 1 . . . . . . . . 447 1 637 . 1 1 66 66 LEU CA C 13 52.9 . . 1 . . . . . . . . 447 1 638 . 1 1 66 66 LEU HA H 1 4.33 . . 1 . . . . . . . . 447 1 639 . 1 1 66 66 LEU CB C 13 40.9 . . 1 . . . . . . . . 447 1 640 . 1 1 66 66 LEU HB2 H 1 1.36 . . 2 . . . . . . . . 447 1 641 . 1 1 66 66 LEU HB3 H 1 1.72 . . 2 . . . . . . . . 447 1 642 . 1 1 66 66 LEU N N 15 122.4 . . 1 . . . . . . . . 447 1 643 . 1 1 67 67 ASP H H 1 8.74 . . 1 . . . . . . . . 447 1 644 . 1 1 67 67 ASP CA C 13 50.7 . . 1 . . . . . . . . 447 1 645 . 1 1 67 67 ASP HA H 1 4.65 . . 1 . . . . . . . . 447 1 646 . 1 1 67 67 ASP CB C 13 39.8 . . 1 . . . . . . . . 447 1 647 . 1 1 67 67 ASP HB2 H 1 2.62 . . 2 . . . . . . . . 447 1 648 . 1 1 67 67 ASP HB3 H 1 3.12 . . 2 . . . . . . . . 447 1 649 . 1 1 67 67 ASP N N 15 123.8 . . 1 . . . . . . . . 447 1 650 . 1 1 68 68 ASP H H 1 8.4 . . 1 . . . . . . . . 447 1 651 . 1 1 68 68 ASP CA C 13 56.4 . . 1 . . . . . . . . 447 1 652 . 1 1 68 68 ASP HA H 1 4.33 . . 1 . . . . . . . . 447 1 653 . 1 1 68 68 ASP CB C 13 38.8 . . 1 . . . . . . . . 447 1 654 . 1 1 68 68 ASP CG C 13 177.2 . . 1 . . . . . . . . 447 1 655 . 1 1 68 68 ASP HB2 H 1 2.59 . . 2 . . . . . . . . 447 1 656 . 1 1 68 68 ASP HB3 H 1 2.74 . . 2 . . . . . . . . 447 1 657 . 1 1 68 68 ASP N N 15 118 . . 1 . . . . . . . . 447 1 658 . 1 1 69 69 ASP H H 1 8.23 . . 1 . . . . . . . . 447 1 659 . 1 1 69 69 ASP CA C 13 55.9 . . 1 . . . . . . . . 447 1 660 . 1 1 69 69 ASP HA H 1 4.45 . . 1 . . . . . . . . 447 1 661 . 1 1 69 69 ASP CB C 13 38.5 . . 1 . . . . . . . . 447 1 662 . 1 1 69 69 ASP HB2 H 1 2.67 . . 2 . . . . . . . . 447 1 663 . 1 1 69 69 ASP HB3 H 1 2.86 . . 2 . . . . . . . . 447 1 664 . 1 1 69 69 ASP N N 15 122.1 . . 1 . . . . . . . . 447 1 665 . 1 1 70 70 GLN H H 1 8.7 . . 1 . . . . . . . . 447 1 666 . 1 1 70 70 GLN CA C 13 57.3 . . 1 . . . . . . . . 447 1 667 . 1 1 70 70 GLN HA H 1 4.29 . . 1 . . . . . . . . 447 1 668 . 1 1 70 70 GLN CB C 13 27.3 . . 1 . . . . . . . . 447 1 669 . 1 1 70 70 GLN CG C 13 32.7 . . 1 . . . . . . . . 447 1 670 . 1 1 70 70 GLN HB2 H 1 1.74 . . 2 . . . . . . . . 447 1 671 . 1 1 70 70 GLN HB3 H 1 2.54 . . 2 . . . . . . . . 447 1 672 . 1 1 70 70 GLN CD C 13 177.3 . . 1 . . . . . . . . 447 1 673 . 1 1 70 70 GLN HG2 H 1 2.19 . . 2 . . . . . . . . 447 1 674 . 1 1 70 70 GLN HG3 H 1 2.76 . . 2 . . . . . . . . 447 1 675 . 1 1 70 70 GLN NE2 N 15 111.8 . . 1 . . . . . . . . 447 1 676 . 1 1 70 70 GLN HE21 H 1 7.37 . . 2 . . . . . . . . 447 1 677 . 1 1 70 70 GLN HE22 H 1 6.47 . . 2 . . . . . . . . 447 1 678 . 1 1 70 70 GLN N N 15 124.2 . . 1 . . . . . . . . 447 1 679 . 1 1 71 71 ILE H H 1 8.45 . . 1 . . . . . . . . 447 1 680 . 1 1 71 71 ILE CA C 13 62.9 . . 1 . . . . . . . . 447 1 681 . 1 1 71 71 ILE HA H 1 3.99 . . 1 . . . . . . . . 447 1 682 . 1 1 71 71 ILE C C 13 180.1 . . 1 . . . . . . . . 447 1 683 . 1 1 71 71 ILE CB C 13 36 . . 1 . . . . . . . . 447 1 684 . 1 1 71 71 ILE CG1 C 13 27.5 . . 1 . . . . . . . . 447 1 685 . 1 1 71 71 ILE CG2 C 13 15.5 . . 1 . . . . . . . . 447 1 686 . 1 1 71 71 ILE HB H 1 2.05 . . 1 . . . . . . . . 447 1 687 . 1 1 71 71 ILE CD1 C 13 10.7 . . 1 . . . . . . . . 447 1 688 . 1 1 71 71 ILE HG12 H 1 1.06 . . 2 . . . . . . . . 447 1 689 . 1 1 71 71 ILE HG13 H 1 1.69 . . 2 . . . . . . . . 447 1 690 . 1 1 71 71 ILE HG21 H 1 .99 . . 1 . . . . . . . . 447 1 691 . 1 1 71 71 ILE HG22 H 1 .99 . . 1 . . . . . . . . 447 1 692 . 1 1 71 71 ILE HG23 H 1 .99 . . 1 . . . . . . . . 447 1 693 . 1 1 71 71 ILE HD11 H 1 .8 . . 1 . . . . . . . . 447 1 694 . 1 1 71 71 ILE HD12 H 1 .8 . . 1 . . . . . . . . 447 1 695 . 1 1 71 71 ILE HD13 H 1 .8 . . 1 . . . . . . . . 447 1 696 . 1 1 71 71 ILE N N 15 122.1 . . 1 . . . . . . . . 447 1 697 . 1 1 72 72 GLU H H 1 8.48 . . 1 . . . . . . . . 447 1 698 . 1 1 72 72 GLU CA C 13 57.7 . . 1 . . . . . . . . 447 1 699 . 1 1 72 72 GLU HA H 1 4.08 . . 1 . . . . . . . . 447 1 700 . 1 1 72 72 GLU C C 13 176.2 . . 1 . . . . . . . . 447 1 701 . 1 1 72 72 GLU CB C 13 27.6 . . 1 . . . . . . . . 447 1 702 . 1 1 72 72 GLU CG C 13 34.7 . . 1 . . . . . . . . 447 1 703 . 1 1 72 72 GLU HB2 H 1 2.2 . . 2 . . . . . . . . 447 1 704 . 1 1 72 72 GLU HB3 H 1 2.25 . . 2 . . . . . . . . 447 1 705 . 1 1 72 72 GLU HG2 H 1 2.36 . . 2 . . . . . . . . 447 1 706 . 1 1 72 72 GLU HG3 H 1 2.43 . . 2 . . . . . . . . 447 1 707 . 1 1 72 72 GLU N N 15 125 . . 1 . . . . . . . . 447 1 708 . 1 1 73 73 ALA H H 1 7.74 . . 1 . . . . . . . . 447 1 709 . 1 1 73 73 ALA CA C 13 51.2 . . 1 . . . . . . . . 447 1 710 . 1 1 73 73 ALA HA H 1 4.31 . . 1 . . . . . . . . 447 1 711 . 1 1 73 73 ALA C C 13 175.5 . . 1 . . . . . . . . 447 1 712 . 1 1 73 73 ALA CB C 13 17.7 . . 1 . . . . . . . . 447 1 713 . 1 1 73 73 ALA HB1 H 1 1.75 . . 1 . . . . . . . . 447 1 714 . 1 1 73 73 ALA HB2 H 1 1.75 . . 1 . . . . . . . . 447 1 715 . 1 1 73 73 ALA HB3 H 1 1.75 . . 1 . . . . . . . . 447 1 716 . 1 1 73 73 ALA N N 15 120.5 . . 1 . . . . . . . . 447 1 717 . 1 1 74 74 GLY H H 1 7.79 . . 1 . . . . . . . . 447 1 718 . 1 1 74 74 GLY CA C 13 43.3 . . 1 . . . . . . . . 447 1 719 . 1 1 74 74 GLY HA2 H 1 3.78 . . 2 . . . . . . . . 447 1 720 . 1 1 74 74 GLY C C 13 173 . . 1 . . . . . . . . 447 1 721 . 1 1 74 74 GLY HA3 H 1 4.33 . . 2 . . . . . . . . 447 1 722 . 1 1 74 74 GLY N N 15 104.6 . . 1 . . . . . . . . 447 1 723 . 1 1 75 75 TYR H H 1 7.96 . . 1 . . . . . . . . 447 1 724 . 1 1 75 75 TYR CA C 13 59.5 . . 1 . . . . . . . . 447 1 725 . 1 1 75 75 TYR HA H 1 5.02 . . 1 . . . . . . . . 447 1 726 . 1 1 75 75 TYR CB C 13 37.5 . . 1 . . . . . . . . 447 1 727 . 1 1 75 75 TYR CG C 13 130.7 . . 1 . . . . . . . . 447 1 728 . 1 1 75 75 TYR HB2 H 1 2.67 . . 2 . . . . . . . . 447 1 729 . 1 1 75 75 TYR HB3 H 1 2.79 . . 2 . . . . . . . . 447 1 730 . 1 1 75 75 TYR CD1 C 13 131.4 . . 1 . . . . . . . . 447 1 731 . 1 1 75 75 TYR CD2 C 13 131.4 . . 1 . . . . . . . . 447 1 732 . 1 1 75 75 TYR CE1 C 13 116.6 . . 1 . . . . . . . . 447 1 733 . 1 1 75 75 TYR HD1 H 1 7.33 . . 1 . . . . . . . . 447 1 734 . 1 1 75 75 TYR CE2 C 13 116.6 . . 1 . . . . . . . . 447 1 735 . 1 1 75 75 TYR HD2 H 1 7.33 . . 1 . . . . . . . . 447 1 736 . 1 1 75 75 TYR CZ C 13 150.2 . . 1 . . . . . . . . 447 1 737 . 1 1 75 75 TYR HE1 H 1 6.77 . . 1 . . . . . . . . 447 1 738 . 1 1 75 75 TYR HE2 H 1 6.77 . . 1 . . . . . . . . 447 1 739 . 1 1 75 75 TYR N N 15 120.1 . . 1 . . . . . . . . 447 1 740 . 1 1 76 76 VAL H H 1 8.68 . . 1 . . . . . . . . 447 1 741 . 1 1 76 76 VAL CA C 13 57.3 . . 1 . . . . . . . . 447 1 742 . 1 1 76 76 VAL HA H 1 4.83 . . 1 . . . . . . . . 447 1 743 . 1 1 76 76 VAL CB C 13 35.2 . . 1 . . . . . . . . 447 1 744 . 1 1 76 76 VAL CG1 C 13 20.1 . . 2 . . . . . . . . 447 1 745 . 1 1 76 76 VAL CG2 C 13 20.6 . . 2 . . . . . . . . 447 1 746 . 1 1 76 76 VAL HB H 1 1.57 . . 1 . . . . . . . . 447 1 747 . 1 1 76 76 VAL HG11 H 1 .6 . . 2 . . . . . . . . 447 1 748 . 1 1 76 76 VAL HG12 H 1 .6 . . 2 . . . . . . . . 447 1 749 . 1 1 76 76 VAL HG13 H 1 .6 . . 2 . . . . . . . . 447 1 750 . 1 1 76 76 VAL HG21 H 1 .71 . . 2 . . . . . . . . 447 1 751 . 1 1 76 76 VAL HG22 H 1 .71 . . 2 . . . . . . . . 447 1 752 . 1 1 76 76 VAL HG23 H 1 .71 . . 2 . . . . . . . . 447 1 753 . 1 1 76 76 VAL N N 15 119.1 . . 1 . . . . . . . . 447 1 754 . 1 1 78 78 THR CA C 13 60.2 . . 1 . . . . . . . . 447 1 755 . 1 1 78 78 THR HA H 1 4.43 . . 1 . . . . . . . . 447 1 756 . 1 1 78 78 THR CB C 13 68.3 . . 1 . . . . . . . . 447 1 757 . 1 1 78 78 THR CG2 C 13 20 . . 1 . . . . . . . . 447 1 758 . 1 1 78 78 THR HB H 1 4.17 . . 1 . . . . . . . . 447 1 759 . 1 1 78 78 THR HG21 H 1 1.18 . . 1 . . . . . . . . 447 1 760 . 1 1 78 78 THR HG22 H 1 1.18 . . 1 . . . . . . . . 447 1 761 . 1 1 78 78 THR HG23 H 1 1.18 . . 1 . . . . . . . . 447 1 762 . 1 1 80 80 VAL CA C 13 52 . . 1 . . . . . . . . 447 1 763 . 1 1 80 80 VAL HA H 1 4.74 . . 1 . . . . . . . . 447 1 764 . 1 1 80 80 VAL CB C 13 29.6 . . 1 . . . . . . . . 447 1 765 . 1 1 80 80 VAL CG1 C 13 21.8 . . 1 . . . . . . . . 447 1 766 . 1 1 80 80 VAL CG2 C 13 21.8 . . 1 . . . . . . . . 447 1 767 . 1 1 81 81 ALA H H 1 6.36 . . 1 . . . . . . . . 447 1 768 . 1 1 81 81 ALA CA C 13 48.6 . . 1 . . . . . . . . 447 1 769 . 1 1 81 81 ALA HA H 1 5.14 . . 1 . . . . . . . . 447 1 770 . 1 1 81 81 ALA C C 13 174.4 . . 1 . . . . . . . . 447 1 771 . 1 1 81 81 ALA CB C 13 20.3 . . 1 . . . . . . . . 447 1 772 . 1 1 81 81 ALA HB1 H 1 1.07 . . 1 . . . . . . . . 447 1 773 . 1 1 81 81 ALA HB2 H 1 1.07 . . 1 . . . . . . . . 447 1 774 . 1 1 81 81 ALA HB3 H 1 1.07 . . 1 . . . . . . . . 447 1 775 . 1 1 81 81 ALA N N 15 122.6 . . 1 . . . . . . . . 447 1 776 . 1 1 82 82 TYR H H 1 9.13 . . 1 . . . . . . . . 447 1 777 . 1 1 82 82 TYR CA C 13 53.2 . . 1 . . . . . . . . 447 1 778 . 1 1 82 82 TYR HA H 1 5.49 . . 1 . . . . . . . . 447 1 779 . 1 1 82 82 TYR C C 13 173.9 . . 1 . . . . . . . . 447 1 780 . 1 1 82 82 TYR CB C 13 38.1 . . 1 . . . . . . . . 447 1 781 . 1 1 82 82 TYR CG C 13 128.4 . . 1 . . . . . . . . 447 1 782 . 1 1 82 82 TYR HB2 H 1 2.88 . . 2 . . . . . . . . 447 1 783 . 1 1 82 82 TYR HB3 H 1 3.21 . . 2 . . . . . . . . 447 1 784 . 1 1 82 82 TYR CD1 C 13 132.1 . . 1 . . . . . . . . 447 1 785 . 1 1 82 82 TYR CD2 C 13 132.1 . . 1 . . . . . . . . 447 1 786 . 1 1 82 82 TYR CE1 C 13 116.4 . . 1 . . . . . . . . 447 1 787 . 1 1 82 82 TYR HD1 H 1 7.13 . . 1 . . . . . . . . 447 1 788 . 1 1 82 82 TYR CE2 C 13 116.4 . . 1 . . . . . . . . 447 1 789 . 1 1 82 82 TYR HD2 H 1 7.13 . . 1 . . . . . . . . 447 1 790 . 1 1 82 82 TYR CZ C 13 156 . . 1 . . . . . . . . 447 1 791 . 1 1 82 82 TYR HE1 H 1 6.43 . . 1 . . . . . . . . 447 1 792 . 1 1 82 82 TYR HE2 H 1 6.43 . . 1 . . . . . . . . 447 1 793 . 1 1 82 82 TYR N N 15 125.2 . . 1 . . . . . . . . 447 1 794 . 1 1 83 83 PRO CA C 13 62 . . 1 . . . . . . . . 447 1 795 . 1 1 83 83 PRO HA H 1 4.73 . . 1 . . . . . . . . 447 1 796 . 1 1 83 83 PRO C C 13 174.9 . . 1 . . . . . . . . 447 1 797 . 1 1 83 83 PRO CB C 13 29.5 . . 1 . . . . . . . . 447 1 798 . 1 1 83 83 PRO CG C 13 26.5 . . 1 . . . . . . . . 447 1 799 . 1 1 83 83 PRO HB2 H 1 1.99 . . 2 . . . . . . . . 447 1 800 . 1 1 83 83 PRO HB3 H 1 2.21 . . 2 . . . . . . . . 447 1 801 . 1 1 83 83 PRO CD C 13 48.9 . . 1 . . . . . . . . 447 1 802 . 1 1 83 83 PRO HD2 H 1 4.09 . . 2 . . . . . . . . 447 1 803 . 1 1 83 83 PRO HD3 H 1 4.41 . . 2 . . . . . . . . 447 1 804 . 1 1 83 83 PRO N N 15 137.8 . . 1 . . . . . . . . 447 1 805 . 1 1 84 84 THR H H 1 8.46 . . 1 . . . . . . . . 447 1 806 . 1 1 84 84 THR CA C 13 58.6 . . 1 . . . . . . . . 447 1 807 . 1 1 84 84 THR HA H 1 4.23 . . 1 . . . . . . . . 447 1 808 . 1 1 84 84 THR C C 13 170.6 . . 1 . . . . . . . . 447 1 809 . 1 1 84 84 THR CB C 13 66.8 . . 1 . . . . . . . . 447 1 810 . 1 1 84 84 THR CG2 C 13 21.6 . . 1 . . . . . . . . 447 1 811 . 1 1 84 84 THR HB H 1 4.44 . . 1 . . . . . . . . 447 1 812 . 1 1 84 84 THR HG21 H 1 1.11 . . 1 . . . . . . . . 447 1 813 . 1 1 84 84 THR HG22 H 1 1.11 . . 1 . . . . . . . . 447 1 814 . 1 1 84 84 THR HG23 H 1 1.11 . . 1 . . . . . . . . 447 1 815 . 1 1 84 84 THR N N 15 111.7 . . 1 . . . . . . . . 447 1 816 . 1 1 85 85 SER H H 1 7.73 . . 1 . . . . . . . . 447 1 817 . 1 1 85 85 SER CA C 13 56.1 . . 1 . . . . . . . . 447 1 818 . 1 1 85 85 SER HA H 1 3.57 . . 1 . . . . . . . . 447 1 819 . 1 1 85 85 SER C C 13 170.2 . . 1 . . . . . . . . 447 1 820 . 1 1 85 85 SER CB C 13 64.4 . . 1 . . . . . . . . 447 1 821 . 1 1 85 85 SER HB2 H 1 3.74 . . 2 . . . . . . . . 447 1 822 . 1 1 85 85 SER HB3 H 1 4.09 . . 2 . . . . . . . . 447 1 823 . 1 1 85 85 SER N N 15 118.8 . . 1 . . . . . . . . 447 1 824 . 1 1 86 86 ASP H H 1 8.54 . . 1 . . . . . . . . 447 1 825 . 1 1 86 86 ASP CA C 13 55 . . 1 . . . . . . . . 447 1 826 . 1 1 86 86 ASP HA H 1 5.33 . . 1 . . . . . . . . 447 1 827 . 1 1 86 86 ASP C C 13 178.2 . . 1 . . . . . . . . 447 1 828 . 1 1 86 86 ASP CB C 13 38.4 . . 1 . . . . . . . . 447 1 829 . 1 1 86 86 ASP HB2 H 1 2.61 . . 2 . . . . . . . . 447 1 830 . 1 1 86 86 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 447 1 831 . 1 1 86 86 ASP N N 15 119.3 . . 1 . . . . . . . . 447 1 832 . 1 1 87 87 VAL H H 1 9.05 . . 1 . . . . . . . . 447 1 833 . 1 1 87 87 VAL CA C 13 59.1 . . 1 . . . . . . . . 447 1 834 . 1 1 87 87 VAL HA H 1 4.92 . . 1 . . . . . . . . 447 1 835 . 1 1 87 87 VAL C C 13 172.5 . . 1 . . . . . . . . 447 1 836 . 1 1 87 87 VAL CB C 13 35.9 . . 1 . . . . . . . . 447 1 837 . 1 1 87 87 VAL CG1 C 13 21.4 . . 1 . . . . . . . . 447 1 838 . 1 1 87 87 VAL CG2 C 13 21.4 . . 1 . . . . . . . . 447 1 839 . 1 1 87 87 VAL HB H 1 1.92 . . 1 . . . . . . . . 447 1 840 . 1 1 87 87 VAL HG11 H 1 .89 . . 2 . . . . . . . . 447 1 841 . 1 1 87 87 VAL HG12 H 1 .89 . . 2 . . . . . . . . 447 1 842 . 1 1 87 87 VAL HG13 H 1 .89 . . 2 . . . . . . . . 447 1 843 . 1 1 87 87 VAL HG21 H 1 1.01 . . 2 . . . . . . . . 447 1 844 . 1 1 87 87 VAL HG22 H 1 1.01 . . 2 . . . . . . . . 447 1 845 . 1 1 87 87 VAL HG23 H 1 1.01 . . 2 . . . . . . . . 447 1 846 . 1 1 87 87 VAL N N 15 126.6 . . 1 . . . . . . . . 447 1 847 . 1 1 88 88 VAL H H 1 8.55 . . 1 . . . . . . . . 447 1 848 . 1 1 88 88 VAL CA C 13 60.3 . . 1 . . . . . . . . 447 1 849 . 1 1 88 88 VAL HA H 1 4.78 . . 1 . . . . . . . . 447 1 850 . 1 1 88 88 VAL C C 13 173.3 . . 1 . . . . . . . . 447 1 851 . 1 1 88 88 VAL CB C 13 31.7 . . 1 . . . . . . . . 447 1 852 . 1 1 88 88 VAL CG1 C 13 18.9 . . 2 . . . . . . . . 447 1 853 . 1 1 88 88 VAL CG2 C 13 19.8 . . 2 . . . . . . . . 447 1 854 . 1 1 88 88 VAL HB H 1 2.03 . . 1 . . . . . . . . 447 1 855 . 1 1 88 88 VAL HG11 H 1 .87 . . 2 . . . . . . . . 447 1 856 . 1 1 88 88 VAL HG12 H 1 .87 . . 2 . . . . . . . . 447 1 857 . 1 1 88 88 VAL HG13 H 1 .87 . . 2 . . . . . . . . 447 1 858 . 1 1 88 88 VAL HG21 H 1 .92 . . 2 . . . . . . . . 447 1 859 . 1 1 88 88 VAL HG22 H 1 .92 . . 2 . . . . . . . . 447 1 860 . 1 1 88 88 VAL HG23 H 1 .92 . . 2 . . . . . . . . 447 1 861 . 1 1 88 88 VAL N N 15 128.5 . . 1 . . . . . . . . 447 1 862 . 1 1 89 89 ILE H H 1 9.46 . . 1 . . . . . . . . 447 1 863 . 1 1 89 89 ILE CA C 13 57.7 . . 1 . . . . . . . . 447 1 864 . 1 1 89 89 ILE HA H 1 4.91 . . 1 . . . . . . . . 447 1 865 . 1 1 89 89 ILE CB C 13 41.7 . . 1 . . . . . . . . 447 1 866 . 1 1 89 89 ILE CG1 C 13 27 . . 1 . . . . . . . . 447 1 867 . 1 1 89 89 ILE CG2 C 13 14.5 . . 1 . . . . . . . . 447 1 868 . 1 1 89 89 ILE HB H 1 1.51 . . 1 . . . . . . . . 447 1 869 . 1 1 89 89 ILE CD1 C 13 12.9 . . 1 . . . . . . . . 447 1 870 . 1 1 89 89 ILE HG12 H 1 .82 . . 2 . . . . . . . . 447 1 871 . 1 1 89 89 ILE HG13 H 1 1.44 . . 2 . . . . . . . . 447 1 872 . 1 1 89 89 ILE HG21 H 1 .71 . . 1 . . . . . . . . 447 1 873 . 1 1 89 89 ILE HG22 H 1 .71 . . 1 . . . . . . . . 447 1 874 . 1 1 89 89 ILE HG23 H 1 .71 . . 1 . . . . . . . . 447 1 875 . 1 1 89 89 ILE HD11 H 1 .49 . . 1 . . . . . . . . 447 1 876 . 1 1 89 89 ILE HD12 H 1 .49 . . 1 . . . . . . . . 447 1 877 . 1 1 89 89 ILE HD13 H 1 .49 . . 1 . . . . . . . . 447 1 878 . 1 1 89 89 ILE N N 15 128.8 . . 1 . . . . . . . . 447 1 879 . 1 1 90 90 GLN H H 1 9.21 . . 1 . . . . . . . . 447 1 880 . 1 1 90 90 GLN CA C 13 52.3 . . 1 . . . . . . . . 447 1 881 . 1 1 90 90 GLN HA H 1 5.47 . . 1 . . . . . . . . 447 1 882 . 1 1 90 90 GLN C C 13 175.2 . . 1 . . . . . . . . 447 1 883 . 1 1 90 90 GLN CB C 13 27.5 . . 1 . . . . . . . . 447 1 884 . 1 1 90 90 GLN CG C 13 31.8 . . 1 . . . . . . . . 447 1 885 . 1 1 90 90 GLN HB2 H 1 2.09 . . 2 . . . . . . . . 447 1 886 . 1 1 90 90 GLN HB3 H 1 2.3 . . 2 . . . . . . . . 447 1 887 . 1 1 90 90 GLN CD C 13 177 . . 1 . . . . . . . . 447 1 888 . 1 1 90 90 GLN HG2 H 1 2.18 . . 2 . . . . . . . . 447 1 889 . 1 1 90 90 GLN HG3 H 1 2.3 . . 2 . . . . . . . . 447 1 890 . 1 1 90 90 GLN NE2 N 15 110.9 . . 1 . . . . . . . . 447 1 891 . 1 1 90 90 GLN HE21 H 1 6.52 . . 2 . . . . . . . . 447 1 892 . 1 1 90 90 GLN HE22 H 1 7.25 . . 2 . . . . . . . . 447 1 893 . 1 1 90 90 GLN N N 15 127.3 . . 1 . . . . . . . . 447 1 894 . 1 1 91 91 THR H H 1 9.12 . . 1 . . . . . . . . 447 1 895 . 1 1 91 91 THR CA C 13 59.8 . . 1 . . . . . . . . 447 1 896 . 1 1 91 91 THR HA H 1 4.56 . . 1 . . . . . . . . 447 1 897 . 1 1 91 91 THR C C 13 172.6 . . 1 . . . . . . . . 447 1 898 . 1 1 91 91 THR CB C 13 67.3 . . 1 . . . . . . . . 447 1 899 . 1 1 91 91 THR CG2 C 13 21.1 . . 1 . . . . . . . . 447 1 900 . 1 1 91 91 THR HB H 1 4.67 . . 1 . . . . . . . . 447 1 901 . 1 1 91 91 THR HG21 H 1 1.18 . . 1 . . . . . . . . 447 1 902 . 1 1 91 91 THR HG22 H 1 1.18 . . 1 . . . . . . . . 447 1 903 . 1 1 91 91 THR HG23 H 1 1.18 . . 1 . . . . . . . . 447 1 904 . 1 1 91 91 THR N N 15 116.7 . . 1 . . . . . . . . 447 1 905 . 1 1 92 92 HIS H H 1 9.14 . . 1 . . . . . . . . 447 1 906 . 1 1 92 92 HIS CA C 13 57.2 . . 1 . . . . . . . . 447 1 907 . 1 1 92 92 HIS HA H 1 4.52 . . 1 . . . . . . . . 447 1 908 . 1 1 92 92 HIS C C 13 176.7 . . 1 . . . . . . . . 447 1 909 . 1 1 92 92 HIS CB C 13 24.6 . . 1 . . . . . . . . 447 1 910 . 1 1 92 92 HIS CG C 13 138 . . 1 . . . . . . . . 447 1 911 . 1 1 92 92 HIS HB2 H 1 3.31 . . 2 . . . . . . . . 447 1 912 . 1 1 92 92 HIS HB3 H 1 3.39 . . 2 . . . . . . . . 447 1 913 . 1 1 92 92 HIS ND1 N 15 243.1 . . 1 . . . . . . . . 447 1 914 . 1 1 92 92 HIS CD2 C 13 116.3 . . 1 . . . . . . . . 447 1 915 . 1 1 92 92 HIS CE1 C 13 136.5 . . 1 . . . . . . . . 447 1 916 . 1 1 92 92 HIS NE2 N 15 168.6 . . 1 . . . . . . . . 447 1 917 . 1 1 92 92 HIS HD2 H 1 7.18 . . 1 . . . . . . . . 447 1 918 . 1 1 92 92 HIS HE1 H 1 7.81 . . 1 . . . . . . . . 447 1 919 . 1 1 92 92 HIS N N 15 113.8 . . 1 . . . . . . . . 447 1 920 . 1 1 93 93 LYS H H 1 7.43 . . 1 . . . . . . . . 447 1 921 . 1 1 93 93 LYS HA H 1 4.74 . . 1 . . . . . . . . 447 1 922 . 1 1 93 93 LYS CB C 13 31.1 . . 1 . . . . . . . . 447 1 923 . 1 1 93 93 LYS CG C 13 23.1 . . 1 . . . . . . . . 447 1 924 . 1 1 93 93 LYS HB2 H 1 1.21 . . 1 . . . . . . . . 447 1 925 . 1 1 93 93 LYS HB3 H 1 1.21 . . 1 . . . . . . . . 447 1 926 . 1 1 93 93 LYS CD C 13 27.5 . . 1 . . . . . . . . 447 1 927 . 1 1 93 93 LYS HG2 H 1 2.36 . . 1 . . . . . . . . 447 1 928 . 1 1 93 93 LYS HG3 H 1 2.36 . . 1 . . . . . . . . 447 1 929 . 1 1 93 93 LYS CE C 13 40.3 . . 1 . . . . . . . . 447 1 930 . 1 1 93 93 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 447 1 931 . 1 1 93 93 LYS HD3 H 1 1.73 . . 1 . . . . . . . . 447 1 932 . 1 1 93 93 LYS NZ N 15 33.5 . . 1 . . . . . . . . 447 1 933 . 1 1 93 93 LYS HE2 H 1 3.01 . . 1 . . . . . . . . 447 1 934 . 1 1 93 93 LYS HE3 H 1 3.01 . . 1 . . . . . . . . 447 1 935 . 1 1 93 93 LYS N N 15 115.3 . . 1 . . . . . . . . 447 1 936 . 1 1 94 94 GLU H H 1 8.33 . . 1 . . . . . . . . 447 1 937 . 1 1 94 94 GLU CA C 13 59.4 . . 1 . . . . . . . . 447 1 938 . 1 1 94 94 GLU HA H 1 3.12 . . 1 . . . . . . . . 447 1 939 . 1 1 94 94 GLU C C 13 175.7 . . 1 . . . . . . . . 447 1 940 . 1 1 94 94 GLU CB C 13 27.7 . . 1 . . . . . . . . 447 1 941 . 1 1 94 94 GLU CG C 13 33.9 . . 1 . . . . . . . . 447 1 942 . 1 1 94 94 GLU HB2 H 1 1.94 . . 1 . . . . . . . . 447 1 943 . 1 1 94 94 GLU HB3 H 1 1.94 . . 1 . . . . . . . . 447 1 944 . 1 1 94 94 GLU CD C 13 179 . . 1 . . . . . . . . 447 1 945 . 1 1 94 94 GLU HG2 H 1 2.13 . . 1 . . . . . . . . 447 1 946 . 1 1 94 94 GLU HG3 H 1 2.13 . . 1 . . . . . . . . 447 1 947 . 1 1 94 94 GLU N N 15 122.9 . . 1 . . . . . . . . 447 1 948 . 1 1 95 95 GLU H H 1 8.65 . . 1 . . . . . . . . 447 1 949 . 1 1 95 95 GLU CA C 13 56.8 . . 1 . . . . . . . . 447 1 950 . 1 1 95 95 GLU HA H 1 3.79 . . 1 . . . . . . . . 447 1 951 . 1 1 95 95 GLU C C 13 176 . . 1 . . . . . . . . 447 1 952 . 1 1 95 95 GLU CB C 13 27.5 . . 1 . . . . . . . . 447 1 953 . 1 1 95 95 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 447 1 954 . 1 1 95 95 GLU HB3 H 1 2.09 . . 2 . . . . . . . . 447 1 955 . 1 1 95 95 GLU HG2 H 1 2.28 . . 2 . . . . . . . . 447 1 956 . 1 1 95 95 GLU HG3 H 1 2.32 . . 2 . . . . . . . . 447 1 957 . 1 1 95 95 GLU N N 15 114.7 . . 1 . . . . . . . . 447 1 958 . 1 1 96 96 ASP H H 1 7.87 . . 1 . . . . . . . . 447 1 959 . 1 1 96 96 ASP CA C 13 53.7 . . 1 . . . . . . . . 447 1 960 . 1 1 96 96 ASP HA H 1 4.39 . . 1 . . . . . . . . 447 1 961 . 1 1 96 96 ASP C C 13 175.8 . . 1 . . . . . . . . 447 1 962 . 1 1 96 96 ASP CB C 13 39.7 . . 1 . . . . . . . . 447 1 963 . 1 1 96 96 ASP HB2 H 1 2.94 . . 1 . . . . . . . . 447 1 964 . 1 1 96 96 ASP HB3 H 1 2.94 . . 1 . . . . . . . . 447 1 965 . 1 1 96 96 ASP N N 15 120.4 . . 1 . . . . . . . . 447 1 966 . 1 1 97 97 LEU H H 1 7.81 . . 1 . . . . . . . . 447 1 967 . 1 1 97 97 LEU CA C 13 53.1 . . 1 . . . . . . . . 447 1 968 . 1 1 97 97 LEU HA H 1 3.99 . . 1 . . . . . . . . 447 1 969 . 1 1 97 97 LEU CB C 13 39.6 . . 1 . . . . . . . . 447 1 970 . 1 1 97 97 LEU CG C 13 25.2 . . 1 . . . . . . . . 447 1 971 . 1 1 97 97 LEU HB2 H 1 1.33 . . 2 . . . . . . . . 447 1 972 . 1 1 97 97 LEU HB3 H 1 1.66 . . 2 . . . . . . . . 447 1 973 . 1 1 97 97 LEU CD1 C 13 19.6 . . 2 . . . . . . . . 447 1 974 . 1 1 97 97 LEU CD2 C 13 24.6 . . 2 . . . . . . . . 447 1 975 . 1 1 97 97 LEU HG H 1 1.14 . . 1 . . . . . . . . 447 1 976 . 1 1 97 97 LEU HD11 H 1 0 . . 2 . . . . . . . . 447 1 977 . 1 1 97 97 LEU HD12 H 1 0 . . 2 . . . . . . . . 447 1 978 . 1 1 97 97 LEU HD13 H 1 0 . . 2 . . . . . . . . 447 1 979 . 1 1 97 97 LEU HD21 H 1 .6 . . 2 . . . . . . . . 447 1 980 . 1 1 97 97 LEU HD22 H 1 .6 . . 2 . . . . . . . . 447 1 981 . 1 1 97 97 LEU HD23 H 1 .6 . . 2 . . . . . . . . 447 1 982 . 1 1 97 97 LEU N N 15 119.1 . . 1 . . . . . . . . 447 1 983 . 1 1 98 98 TYR H H 1 7.07 . . 1 . . . . . . . . 447 1 984 . 1 1 98 98 TYR CA C 13 57.4 . . 1 . . . . . . . . 447 1 985 . 1 1 98 98 TYR HA H 1 4.38 . . 1 . . . . . . . . 447 1 986 . 1 1 98 98 TYR CB C 13 38.3 . . 1 . . . . . . . . 447 1 987 . 1 1 98 98 TYR CG C 13 130.7 . . 1 . . . . . . . . 447 1 988 . 1 1 98 98 TYR HB2 H 1 2.81 . . 2 . . . . . . . . 447 1 989 . 1 1 98 98 TYR HB3 H 1 3.17 . . 2 . . . . . . . . 447 1 990 . 1 1 98 98 TYR CD1 C 13 116.6 . . 1 . . . . . . . . 447 1 991 . 1 1 98 98 TYR CD2 C 13 116.6 . . 1 . . . . . . . . 447 1 992 . 1 1 98 98 TYR CE1 C 13 131.6 . . 1 . . . . . . . . 447 1 993 . 1 1 98 98 TYR HD1 H 1 7.13 . . 1 . . . . . . . . 447 1 994 . 1 1 98 98 TYR CE2 C 13 131.6 . . 1 . . . . . . . . 447 1 995 . 1 1 98 98 TYR HD2 H 1 7.13 . . 1 . . . . . . . . 447 1 996 . 1 1 98 98 TYR CZ C 13 155.5 . . 1 . . . . . . . . 447 1 997 . 1 1 98 98 TYR HE1 H 1 6.79 . . 1 . . . . . . . . 447 1 998 . 1 1 98 98 TYR HE2 H 1 6.79 . . 1 . . . . . . . . 447 1 999 . 1 1 98 98 TYR N N 15 125.2 . . 1 . . . . . . . . 447 1 stop_ save_