data_5078 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5078 _Entry.Title ; Structure and Backbone Dynamics of a Lipoyl Domain from Human Mitochondrial Branched-Chain alpha-Ketoacid Dehydrogenase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-07-12 _Entry.Accession_date 2001-07-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Chi-Fon Chang . . . 5078 2 Hui-Ting Chou . . . 5078 3 Jacinta Chuang . L. . 5078 4 David Chuang . T. . 5078 5 Tai-huang Huang . . . 5078 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5078 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 540 5078 '13C chemical shifts' 345 5078 '15N chemical shifts' 85 5078 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 . . 2004-02-19 . update BMRB 'Residue numbering corrected in assigned chemical shift loop' 5078 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5078 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21975169 _Citation.DOI . _Citation.PubMed_ID 11839747 _Citation.Full_citation . _Citation.Title ; Solution Structure and Dynamics of the Lipoic Acid-bearing Domain of Human Mitochondrial Branched-chain Alpha-Keto Acid Dehydrogenase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 277 _Citation.Journal_issue 18 _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 15865 _Citation.Page_last 15873 _Citation.Year 2002 _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 Chi-Fon Chang . . . 5078 1 2 Hui-Ting Chou . . . 5078 1 3 Jacinta Chuang . L. . 5078 1 4 David Chuang . T. . 5078 1 5 Tai-huang Huang . . . 5078 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_LBD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_LBD _Assembly.Entry_ID 5078 _Assembly.ID 1 _Assembly.Name 'Lipoyl acid-bearing domain of human BCKD complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5078 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 'LBD of human BCKD' 1 $LBD . . . native . . . . . 5078 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Lipoyl acid-bearing domain of human BCKD complex' system 5078 1 LBD abbreviation 5078 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'lipoyl acid bearing' 5078 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LBD _Entity.Sf_category entity _Entity.Sf_framecode LBD _Entity.Entry_ID 5078 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Lipoyl acide bearing domain' _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 ; MGQVVQFKLSDIGEGIREVT VKEWYVKEGDTVSQFDSICE VQSDKASVTITSRYDGVIKK LYYNLDDIAYVGKPLVDIET EALKDLEHHHHHH ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1K8M . "Solution Structure Of The Lipoic Acid-Bearing Domain Of The E2 Component Of Human, Mitochondrial Branched-Chain Alpha- Ketoacid" . . . . . 100.00 93 100.00 100.00 9.66e-60 . . . . 5078 1 2 no PDB 1K8O . "Solution Structure Of The Lipoic Acid-Bearing Domain Of The E2 Component Of Human, Mitochondrial Branched-Chain Alpha- Ketoacid" . . . . . 100.00 93 100.00 100.00 9.66e-60 . . . . 5078 1 3 no GB AAA59200 . "alpha-keto acid dehydrogenase precursor [Homo sapiens]" . . . . . 92.47 315 98.84 98.84 3.16e-50 . . . . 5078 1 4 no GB KFO26886 . "Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial [Fukomys damarensis]" . . . . . 92.47 482 97.67 98.84 4.52e-49 . . . . 5078 1 5 no REF XP_004385775 . "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial [Trichech" . . . . . 89.25 482 98.80 100.00 1.82e-48 . . . . 5078 1 6 no REF XP_005339742 . "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial [Ictidomy" . . . . . 92.47 482 98.84 98.84 1.42e-50 . . . . 5078 1 7 no REF XP_005542667 . "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial isoform X" . . . . . 92.47 468 98.84 98.84 2.90e-49 . . . . 5078 1 8 no REF XP_007123933 . "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial-like isof" . . . . . 89.25 156 98.80 100.00 2.01e-50 . . . . 5078 1 9 no REF XP_007123934 . "PREDICTED: lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial-like isof" . . . . . 89.25 147 98.80 100.00 1.69e-50 . . . . 5078 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Lipoyl acide bearing domain' common 5078 1 LBD abbreviation 5078 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 0 MET . 5078 1 2 1 GLY . 5078 1 3 2 GLN . 5078 1 4 3 VAL . 5078 1 5 4 VAL . 5078 1 6 5 GLN . 5078 1 7 6 PHE . 5078 1 8 7 LYS . 5078 1 9 8 LEU . 5078 1 10 9 SER . 5078 1 11 10 ASP . 5078 1 12 11 ILE . 5078 1 13 12 GLY . 5078 1 14 13 GLU . 5078 1 15 14 GLY . 5078 1 16 15 ILE . 5078 1 17 16 ARG . 5078 1 18 17 GLU . 5078 1 19 18 VAL . 5078 1 20 19 THR . 5078 1 21 20 VAL . 5078 1 22 21 LYS . 5078 1 23 22 GLU . 5078 1 24 23 TRP . 5078 1 25 24 TYR . 5078 1 26 25 VAL . 5078 1 27 26 LYS . 5078 1 28 27 GLU . 5078 1 29 28 GLY . 5078 1 30 29 ASP . 5078 1 31 30 THR . 5078 1 32 31 VAL . 5078 1 33 32 SER . 5078 1 34 33 GLN . 5078 1 35 34 PHE . 5078 1 36 35 ASP . 5078 1 37 36 SER . 5078 1 38 37 ILE . 5078 1 39 38 CYS . 5078 1 40 39 GLU . 5078 1 41 40 VAL . 5078 1 42 41 GLN . 5078 1 43 42 SER . 5078 1 44 43 ASP . 5078 1 45 44 LYS . 5078 1 46 45 ALA . 5078 1 47 46 SER . 5078 1 48 47 VAL . 5078 1 49 48 THR . 5078 1 50 49 ILE . 5078 1 51 50 THR . 5078 1 52 51 SER . 5078 1 53 52 ARG . 5078 1 54 53 TYR . 5078 1 55 54 ASP . 5078 1 56 55 GLY . 5078 1 57 56 VAL . 5078 1 58 57 ILE . 5078 1 59 58 LYS . 5078 1 60 59 LYS . 5078 1 61 60 LEU . 5078 1 62 61 TYR . 5078 1 63 62 TYR . 5078 1 64 63 ASN . 5078 1 65 64 LEU . 5078 1 66 65 ASP . 5078 1 67 66 ASP . 5078 1 68 67 ILE . 5078 1 69 68 ALA . 5078 1 70 69 TYR . 5078 1 71 70 VAL . 5078 1 72 71 GLY . 5078 1 73 72 LYS . 5078 1 74 73 PRO . 5078 1 75 74 LEU . 5078 1 76 75 VAL . 5078 1 77 76 ASP . 5078 1 78 77 ILE . 5078 1 79 78 GLU . 5078 1 80 79 THR . 5078 1 81 80 GLU . 5078 1 82 81 ALA . 5078 1 83 82 LEU . 5078 1 84 83 LYS . 5078 1 85 84 ASP . 5078 1 86 85 LEU . 5078 1 87 86 GLU . 5078 1 88 89 HIS . 5078 1 89 90 HIS . 5078 1 90 91 HIS . 5078 1 91 92 HIS . 5078 1 92 93 HIS . 5078 1 93 94 HIS . 5078 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 . MET 1 1 5078 1 . GLY 2 2 5078 1 . GLN 3 3 5078 1 . VAL 4 4 5078 1 . VAL 5 5 5078 1 . GLN 6 6 5078 1 . PHE 7 7 5078 1 . LYS 8 8 5078 1 . LEU 9 9 5078 1 . SER 10 10 5078 1 . ASP 11 11 5078 1 . ILE 12 12 5078 1 . GLY 13 13 5078 1 . GLU 14 14 5078 1 . GLY 15 15 5078 1 . ILE 16 16 5078 1 . ARG 17 17 5078 1 . GLU 18 18 5078 1 . VAL 19 19 5078 1 . THR 20 20 5078 1 . VAL 21 21 5078 1 . LYS 22 22 5078 1 . GLU 23 23 5078 1 . TRP 24 24 5078 1 . TYR 25 25 5078 1 . VAL 26 26 5078 1 . LYS 27 27 5078 1 . GLU 28 28 5078 1 . GLY 29 29 5078 1 . ASP 30 30 5078 1 . THR 31 31 5078 1 . VAL 32 32 5078 1 . SER 33 33 5078 1 . GLN 34 34 5078 1 . PHE 35 35 5078 1 . ASP 36 36 5078 1 . SER 37 37 5078 1 . ILE 38 38 5078 1 . CYS 39 39 5078 1 . GLU 40 40 5078 1 . VAL 41 41 5078 1 . GLN 42 42 5078 1 . SER 43 43 5078 1 . ASP 44 44 5078 1 . LYS 45 45 5078 1 . ALA 46 46 5078 1 . SER 47 47 5078 1 . VAL 48 48 5078 1 . THR 49 49 5078 1 . ILE 50 50 5078 1 . THR 51 51 5078 1 . SER 52 52 5078 1 . ARG 53 53 5078 1 . TYR 54 54 5078 1 . ASP 55 55 5078 1 . GLY 56 56 5078 1 . VAL 57 57 5078 1 . ILE 58 58 5078 1 . LYS 59 59 5078 1 . LYS 60 60 5078 1 . LEU 61 61 5078 1 . TYR 62 62 5078 1 . TYR 63 63 5078 1 . ASN 64 64 5078 1 . LEU 65 65 5078 1 . ASP 66 66 5078 1 . ASP 67 67 5078 1 . ILE 68 68 5078 1 . ALA 69 69 5078 1 . TYR 70 70 5078 1 . VAL 71 71 5078 1 . GLY 72 72 5078 1 . LYS 73 73 5078 1 . PRO 74 74 5078 1 . LEU 75 75 5078 1 . VAL 76 76 5078 1 . ASP 77 77 5078 1 . ILE 78 78 5078 1 . GLU 79 79 5078 1 . THR 80 80 5078 1 . GLU 81 81 5078 1 . ALA 82 82 5078 1 . LEU 83 83 5078 1 . LYS 84 84 5078 1 . ASP 85 85 5078 1 . LEU 86 86 5078 1 . GLU 87 87 5078 1 . HIS 88 88 5078 1 . HIS 89 89 5078 1 . HIS 90 90 5078 1 . HIS 91 91 5078 1 . HIS 92 92 5078 1 . HIS 93 93 5078 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 5078 _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 $LBD . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5078 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 5078 _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 $LBD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . 'The first aa (MET) and the last six aa (HIS) are cloning artifacts.' . . 5078 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5078 _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 'Lipoyl acide bearing domain' '[U-13C; U-15N]' . . 1 $LBD . . . 2 3 mM . . . . 5078 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5078 _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 0.2 n/a 5078 1 temperature 310 1 K 5078 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5078 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5078 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker Avance . 600 . . . 5078 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 5078 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5078 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5078 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5078 1 4 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5078 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5078 1 6 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5078 1 7 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5078 1 8 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5078 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5078 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5078 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5078 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5078 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5078 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5078 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5078 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5078 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5078 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5078 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5078 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5078 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5078 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N NOESY' 1 $sample_1 . 5078 1 2 '1H-15N TOCSY' 1 $sample_1 . 5078 1 3 HNCA 1 $sample_1 . 5078 1 4 HN(CO)CA 1 $sample_1 . 5078 1 5 HNCO 1 $sample_1 . 5078 1 6 HN(CA)CO 1 $sample_1 . 5078 1 7 CBCANH 1 $sample_1 . 5078 1 8 CBCA(CO)NH 1 $sample_1 . 5078 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 3 3 GLN HA H 1 4.52 0.04 . 1 . . . . 2 . . . 5078 1 2 . 1 1 3 3 GLN HB2 H 1 1.91 0.04 . 2 . . . . 2 . . . 5078 1 3 . 1 1 3 3 GLN HB3 H 1 2.18 0.04 . 2 . . . . 2 . . . 5078 1 4 . 1 1 3 3 GLN HE21 H 1 7.36 0.04 . 1 . . . . 2 . . . 5078 1 5 . 1 1 3 3 GLN HE22 H 1 6.76 0.04 . 1 . . . . 2 . . . 5078 1 6 . 1 1 3 3 GLN CA C 13 53.80 0.5 . 1 . . . . 2 . . . 5078 1 7 . 1 1 3 3 GLN CG C 13 32.55 0.5 . 1 . . . . 2 . . . 5078 1 8 . 1 1 3 3 GLN NE2 N 15 110.82 0.5 . 1 . . . . 2 . . . 5078 1 9 . 1 1 4 4 VAL H H 1 8.67 0.04 . 1 . . . . 3 . . . 5078 1 10 . 1 1 4 4 VAL HA H 1 4.42 0.04 . 1 . . . . 3 . . . 5078 1 11 . 1 1 4 4 VAL HB H 1 1.90 0.04 . 1 . . . . 3 . . . 5078 1 12 . 1 1 4 4 VAL HG11 H 1 0.84 0.04 . 2 . . . . 3 . . . 5078 1 13 . 1 1 4 4 VAL HG12 H 1 0.84 0.04 . 2 . . . . 3 . . . 5078 1 14 . 1 1 4 4 VAL HG13 H 1 0.84 0.04 . 2 . . . . 3 . . . 5078 1 15 . 1 1 4 4 VAL HG21 H 1 0.65 0.04 . 2 . . . . 3 . . . 5078 1 16 . 1 1 4 4 VAL HG22 H 1 0.65 0.04 . 2 . . . . 3 . . . 5078 1 17 . 1 1 4 4 VAL HG23 H 1 0.65 0.04 . 2 . . . . 3 . . . 5078 1 18 . 1 1 4 4 VAL C C 13 175.62 0.5 . 1 . . . . 3 . . . 5078 1 19 . 1 1 4 4 VAL CA C 13 61.66 0.5 . 1 . . . . 3 . . . 5078 1 20 . 1 1 4 4 VAL CB C 13 31.40 0.5 . 1 . . . . 3 . . . 5078 1 21 . 1 1 4 4 VAL CG1 C 13 20.91 0.5 . 2 . . . . 3 . . . 5078 1 22 . 1 1 4 4 VAL CG2 C 13 20.99 0.5 . 2 . . . . 3 . . . 5078 1 23 . 1 1 4 4 VAL N N 15 124.42 0.5 . 1 . . . . 3 . . . 5078 1 24 . 1 1 5 5 VAL H H 1 9.15 0.04 . 1 . . . . 4 . . . 5078 1 25 . 1 1 5 5 VAL HA H 1 4.24 0.04 . 1 . . . . 4 . . . 5078 1 26 . 1 1 5 5 VAL HB H 1 1.72 0.04 . 1 . . . . 4 . . . 5078 1 27 . 1 1 5 5 VAL HG11 H 1 0.53 0.04 . 2 . . . . 4 . . . 5078 1 28 . 1 1 5 5 VAL HG12 H 1 0.53 0.04 . 2 . . . . 4 . . . 5078 1 29 . 1 1 5 5 VAL HG13 H 1 0.53 0.04 . 2 . . . . 4 . . . 5078 1 30 . 1 1 5 5 VAL HG21 H 1 0.44 0.04 . 2 . . . . 4 . . . 5078 1 31 . 1 1 5 5 VAL HG22 H 1 0.44 0.04 . 2 . . . . 4 . . . 5078 1 32 . 1 1 5 5 VAL HG23 H 1 0.44 0.04 . 2 . . . . 4 . . . 5078 1 33 . 1 1 5 5 VAL C C 13 174.74 0.5 . 1 . . . . 4 . . . 5078 1 34 . 1 1 5 5 VAL CA C 13 58.93 0.5 . 1 . . . . 4 . . . 5078 1 35 . 1 1 5 5 VAL CB C 13 33.59 0.5 . 1 . . . . 4 . . . 5078 1 36 . 1 1 5 5 VAL CG1 C 13 19.27 0.5 . 2 . . . . 4 . . . 5078 1 37 . 1 1 5 5 VAL CG2 C 13 19.11 0.5 . 2 . . . . 4 . . . 5078 1 38 . 1 1 5 5 VAL N N 15 126.76 0.5 . 1 . . . . 4 . . . 5078 1 39 . 1 1 6 6 GLN H H 1 8.39 0.04 . 1 . . . . 5 . . . 5078 1 40 . 1 1 6 6 GLN HA H 1 4.96 0.04 . 1 . . . . 5 . . . 5078 1 41 . 1 1 6 6 GLN HB2 H 1 2.10 0.04 . 2 . . . . 5 . . . 5078 1 42 . 1 1 6 6 GLN HB3 H 1 1.44 0.04 . 2 . . . . 5 . . . 5078 1 43 . 1 1 6 6 GLN HG2 H 1 2.41 0.04 . 2 . . . . 5 . . . 5078 1 44 . 1 1 6 6 GLN HE21 H 1 7.76 0.04 . 1 . . . . 5 . . . 5078 1 45 . 1 1 6 6 GLN HE22 H 1 6.76 0.04 . 1 . . . . 5 . . . 5078 1 46 . 1 1 6 6 GLN C C 13 174.80 0.5 . 1 . . . . 5 . . . 5078 1 47 . 1 1 6 6 GLN CA C 13 54.24 0.5 . 1 . . . . 5 . . . 5078 1 48 . 1 1 6 6 GLN CB C 13 28.27 0.5 . 1 . . . . 5 . . . 5078 1 49 . 1 1 6 6 GLN CG C 13 33.02 0.5 . 1 . . . . 5 . . . 5078 1 50 . 1 1 6 6 GLN N N 15 123.48 0.5 . 1 . . . . 5 . . . 5078 1 51 . 1 1 6 6 GLN NE2 N 15 111.76 0.5 . 1 . . . . 5 . . . 5078 1 52 . 1 1 7 7 PHE H H 1 9.05 0.04 . 1 . . . . 6 . . . 5078 1 53 . 1 1 7 7 PHE HA H 1 5.03 0.04 . 1 . . . . 6 . . . 5078 1 54 . 1 1 7 7 PHE HB2 H 1 3.49 0.04 . 2 . . . . 6 . . . 5078 1 55 . 1 1 7 7 PHE HB3 H 1 2.84 0.04 . 2 . . . . 6 . . . 5078 1 56 . 1 1 7 7 PHE HD1 H 1 7.42 0.04 . 2 . . . . 6 . . . 5078 1 57 . 1 1 7 7 PHE HE1 H 1 7.37 0.04 . 3 . . . . 6 . . . 5078 1 58 . 1 1 7 7 PHE HZ H 1 7.62 0.04 . 1 . . . . 6 . . . 5078 1 59 . 1 1 7 7 PHE C C 13 174.74 0.5 . 1 . . . . 6 . . . 5078 1 60 . 1 1 7 7 PHE CA C 13 54.87 0.5 . 1 . . . . 6 . . . 5078 1 61 . 1 1 7 7 PHE CB C 13 38.22 0.5 . 1 . . . . 6 . . . 5078 1 62 . 1 1 7 7 PHE N N 15 126.76 0.5 . 1 . . . . 6 . . . 5078 1 63 . 1 1 8 8 LYS H H 1 8.66 0.04 . 1 . . . . 7 . . . 5078 1 64 . 1 1 8 8 LYS HA H 1 4.19 0.04 . 1 . . . . 7 . . . 5078 1 65 . 1 1 8 8 LYS HB2 H 1 1.50 0.04 . 2 . . . . 7 . . . 5078 1 66 . 1 1 8 8 LYS HB3 H 1 1.11 0.04 . 2 . . . . 7 . . . 5078 1 67 . 1 1 8 8 LYS HG2 H 1 1.31 0.04 . 2 . . . . 7 . . . 5078 1 68 . 1 1 8 8 LYS HG3 H 1 1.12 0.04 . 2 . . . . 7 . . . 5078 1 69 . 1 1 8 8 LYS HD2 H 1 0.76 0.04 . 2 . . . . 7 . . . 5078 1 70 . 1 1 8 8 LYS HE2 H 1 2.91 0.04 . 2 . . . . 7 . . . 5078 1 71 . 1 1 8 8 LYS C C 13 175.15 0.5 . 1 . . . . 7 . . . 5078 1 72 . 1 1 8 8 LYS CA C 13 54.71 0.5 . 1 . . . . 7 . . . 5078 1 73 . 1 1 8 8 LYS CB C 13 32.60 0.5 . 1 . . . . 7 . . . 5078 1 74 . 1 1 8 8 LYS CG C 13 24.58 0.5 . 1 . . . . 7 . . . 5078 1 75 . 1 1 8 8 LYS CD C 13 28.02 0.5 . 1 . . . . 7 . . . 5078 1 76 . 1 1 8 8 LYS CE C 13 40.99 0.5 . 1 . . . . 7 . . . 5078 1 77 . 1 1 8 8 LYS N N 15 128.64 0.5 . 1 . . . . 7 . . . 5078 1 78 . 1 1 9 9 LEU H H 1 7.37 0.04 . 1 . . . . 8 . . . 5078 1 79 . 1 1 9 9 LEU HA H 1 4.13 0.04 . 1 . . . . 8 . . . 5078 1 80 . 1 1 9 9 LEU HB2 H 1 1.24 0.04 . 2 . . . . 8 . . . 5078 1 81 . 1 1 9 9 LEU HB3 H 1 1.96 0.04 . 2 . . . . 8 . . . 5078 1 82 . 1 1 9 9 LEU HG H 1 1.59 0.04 . 1 . . . . 8 . . . 5078 1 83 . 1 1 9 9 LEU HD11 H 1 0.81 0.04 . 2 . . . . 8 . . . 5078 1 84 . 1 1 9 9 LEU HD12 H 1 0.81 0.04 . 2 . . . . 8 . . . 5078 1 85 . 1 1 9 9 LEU HD13 H 1 0.81 0.04 . 2 . . . . 8 . . . 5078 1 86 . 1 1 9 9 LEU HD21 H 1 0.46 0.04 . 2 . . . . 8 . . . 5078 1 87 . 1 1 9 9 LEU HD22 H 1 0.46 0.04 . 2 . . . . 8 . . . 5078 1 88 . 1 1 9 9 LEU HD23 H 1 0.46 0.04 . 2 . . . . 8 . . . 5078 1 89 . 1 1 9 9 LEU C C 13 175.50 0.5 . 1 . . . . 8 . . . 5078 1 90 . 1 1 9 9 LEU CA C 13 54.01 0.5 . 1 . . . . 8 . . . 5078 1 91 . 1 1 9 9 LEU CB C 13 40.65 0.5 . 1 . . . . 8 . . . 5078 1 92 . 1 1 9 9 LEU CG C 13 25.67 0.5 . 1 . . . . 8 . . . 5078 1 93 . 1 1 9 9 LEU CD1 C 13 23.33 0.5 . 2 . . . . 8 . . . 5078 1 94 . 1 1 9 9 LEU N N 15 120.20 0.5 . 1 . . . . 8 . . . 5078 1 95 . 1 1 10 10 SER H H 1 8.48 0.04 . 1 . . . . 9 . . . 5078 1 96 . 1 1 10 10 SER HA H 1 4.40 0.04 . 1 . . . . 9 . . . 5078 1 97 . 1 1 10 10 SER HB2 H 1 3.77 0.04 . 2 . . . . 9 . . . 5078 1 98 . 1 1 10 10 SER HB3 H 1 2.51 0.04 . 2 . . . . 9 . . . 5078 1 99 . 1 1 10 10 SER C C 13 171.28 0.5 . 1 . . . . 9 . . . 5078 1 100 . 1 1 10 10 SER CA C 13 56.97 0.5 . 1 . . . . 9 . . . 5078 1 101 . 1 1 10 10 SER CB C 13 63.62 0.5 . 1 . . . . 9 . . . 5078 1 102 . 1 1 10 10 SER N N 15 124.42 0.5 . 1 . . . . 9 . . . 5078 1 103 . 1 1 11 11 ASP H H 1 8.03 0.04 . 1 . . . . 10 . . . 5078 1 104 . 1 1 11 11 ASP HA H 1 4.29 0.04 . 1 . . . . 10 . . . 5078 1 105 . 1 1 11 11 ASP HB2 H 1 2.66 0.04 . 2 . . . . 10 . . . 5078 1 106 . 1 1 11 11 ASP HB3 H 1 2.53 0.04 . 2 . . . . 10 . . . 5078 1 107 . 1 1 11 11 ASP C C 13 176.26 0.5 . 1 . . . . 10 . . . 5078 1 108 . 1 1 11 11 ASP CA C 13 54.55 0.5 . 1 . . . . 10 . . . 5078 1 109 . 1 1 11 11 ASP CB C 13 39.79 0.5 . 1 . . . . 10 . . . 5078 1 110 . 1 1 11 11 ASP N N 15 115.51 0.5 . 1 . . . . 10 . . . 5078 1 111 . 1 1 12 12 ILE H H 1 8.16 0.04 . 1 . . . . 11 . . . 5078 1 112 . 1 1 12 12 ILE HA H 1 4.26 0.04 . 1 . . . . 11 . . . 5078 1 113 . 1 1 12 12 ILE HB H 1 1.86 0.04 . 1 . . . . 11 . . . 5078 1 114 . 1 1 12 12 ILE HG12 H 1 1.22 0.04 . 2 . . . . 11 . . . 5078 1 115 . 1 1 12 12 ILE HG13 H 1 1.02 0.04 . 2 . . . . 11 . . . 5078 1 116 . 1 1 12 12 ILE HG21 H 1 0.76 0.04 . 1 . . . . 11 . . . 5078 1 117 . 1 1 12 12 ILE HG22 H 1 0.76 0.04 . 1 . . . . 11 . . . 5078 1 118 . 1 1 12 12 ILE HG23 H 1 0.76 0.04 . 1 . . . . 11 . . . 5078 1 119 . 1 1 12 12 ILE HD11 H 1 0.58 0.04 . 1 . . . . 11 . . . 5078 1 120 . 1 1 12 12 ILE HD12 H 1 0.58 0.04 . 1 . . . . 11 . . . 5078 1 121 . 1 1 12 12 ILE HD13 H 1 0.58 0.04 . 1 . . . . 11 . . . 5078 1 122 . 1 1 12 12 ILE C C 13 175.62 0.5 . 1 . . . . 11 . . . 5078 1 123 . 1 1 12 12 ILE CA C 13 59.47 0.5 . 1 . . . . 11 . . . 5078 1 124 . 1 1 12 12 ILE CB C 13 37.96 0.5 . 1 . . . . 11 . . . 5078 1 125 . 1 1 12 12 ILE CG1 C 13 25.52 0.5 . 1 . . . . 11 . . . 5078 1 126 . 1 1 12 12 ILE CG2 C 13 16.92 0.5 . 1 . . . . 11 . . . 5078 1 127 . 1 1 12 12 ILE CD1 C 13 12.70 0.5 . 1 . . . . 11 . . . 5078 1 128 . 1 1 12 12 ILE N N 15 118.32 0.5 . 1 . . . . 11 . . . 5078 1 129 . 1 1 13 13 GLY H H 1 8.01 0.04 . 1 . . . . 12 . . . 5078 1 130 . 1 1 13 13 GLY HA2 H 1 3.76 0.04 . 2 . . . . 12 . . . 5078 1 131 . 1 1 13 13 GLY C C 13 173.57 0.5 . 1 . . . . 12 . . . 5078 1 132 . 1 1 13 13 GLY CA C 13 43.90 0.5 . 1 . . . . 12 . . . 5078 1 133 . 1 1 13 13 GLY N N 15 108.95 0.5 . 1 . . . . 12 . . . 5078 1 134 . 1 1 14 14 GLU CA C 13 59.40 0.5 . 1 . . . . 13 . . . 5078 1 135 . 1 1 14 14 GLU CB C 13 28.70 0.5 . 1 . . . . 13 . . . 5078 1 136 . 1 1 15 15 GLY HA2 H 1 4.07 0.04 . 2 . . . . 14 . . . 5078 1 137 . 1 1 15 15 GLY HA3 H 1 3.69 0.04 . 2 . . . . 14 . . . 5078 1 138 . 1 1 15 15 GLY CA C 13 44.74 0.5 . 1 . . . . 14 . . . 5078 1 139 . 1 1 16 16 ILE H H 1 7.42 0.04 . 1 . . . . 15 . . . 5078 1 140 . 1 1 16 16 ILE HA H 1 4.05 0.04 . 1 . . . . 15 . . . 5078 1 141 . 1 1 16 16 ILE HB H 1 1.76 0.04 . 1 . . . . 15 . . . 5078 1 142 . 1 1 16 16 ILE HG12 H 1 1.31 0.04 . 2 . . . . 15 . . . 5078 1 143 . 1 1 16 16 ILE HD11 H 1 0.71 0.04 . 1 . . . . 15 . . . 5078 1 144 . 1 1 16 16 ILE HD12 H 1 0.71 0.04 . 1 . . . . 15 . . . 5078 1 145 . 1 1 16 16 ILE HD13 H 1 0.71 0.04 . 1 . . . . 15 . . . 5078 1 146 . 1 1 16 16 ILE C C 13 175.91 0.5 . 1 . . . . 15 . . . 5078 1 147 . 1 1 16 16 ILE CA C 13 60.15 0.5 . 1 . . . . 15 . . . 5078 1 148 . 1 1 16 16 ILE CB C 13 36.71 0.5 . 1 . . . . 15 . . . 5078 1 149 . 1 1 16 16 ILE CG1 C 13 26.30 0.5 . 1 . . . . 15 . . . 5078 1 150 . 1 1 16 16 ILE CG2 C 13 17.24 0.5 . 1 . . . . 15 . . . 5078 1 151 . 1 1 16 16 ILE CD1 C 13 11.61 0.5 . 1 . . . . 15 . . . 5078 1 152 . 1 1 16 16 ILE N N 15 120.20 0.5 . 1 . . . . 15 . . . 5078 1 153 . 1 1 17 17 ARG HA H 1 4.49 0.04 . 1 . . . . 16 . . . 5078 1 154 . 1 1 17 17 ARG HB2 H 1 2.02 0.04 . 2 . . . . 16 . . . 5078 1 155 . 1 1 17 17 ARG HB3 H 1 1.80 0.04 . 2 . . . . 16 . . . 5078 1 156 . 1 1 17 17 ARG HG2 H 1 1.66 0.04 . 2 . . . . 16 . . . 5078 1 157 . 1 1 17 17 ARG HG3 H 1 1.61 0.04 . 2 . . . . 16 . . . 5078 1 158 . 1 1 17 17 ARG HD2 H 1 3.20 0.04 . 2 . . . . 16 . . . 5078 1 159 . 1 1 17 17 ARG CA C 13 55.21 0.5 . 1 . . . . 16 . . . 5078 1 160 . 1 1 17 17 ARG CB C 13 31.45 0.5 . 1 . . . . 16 . . . 5078 1 161 . 1 1 17 17 ARG CG C 13 26.30 0.5 . 1 . . . . 16 . . . 5078 1 162 . 1 1 17 17 ARG CD C 13 41.92 0.5 . 1 . . . . 16 . . . 5078 1 163 . 1 1 18 18 GLU H H 1 7.75 0.04 . 1 . . . . 17 . . . 5078 1 164 . 1 1 18 18 GLU HA H 1 4.99 0.04 . 1 . . . . 17 . . . 5078 1 165 . 1 1 18 18 GLU HB2 H 1 1.66 0.04 . 2 . . . . 17 . . . 5078 1 166 . 1 1 18 18 GLU HB3 H 1 1.85 0.04 . 2 . . . . 17 . . . 5078 1 167 . 1 1 18 18 GLU HG2 H 1 2.06 0.04 . 2 . . . . 17 . . . 5078 1 168 . 1 1 18 18 GLU HG3 H 1 1.96 0.04 . 2 . . . . 17 . . . 5078 1 169 . 1 1 18 18 GLU C C 13 173.86 0.5 . 1 . . . . 17 . . . 5078 1 170 . 1 1 18 18 GLU CA C 13 53.62 0.5 . 1 . . . . 17 . . . 5078 1 171 . 1 1 18 18 GLU CB C 13 31.71 0.5 . 1 . . . . 17 . . . 5078 1 172 . 1 1 18 18 GLU CG C 13 34.42 0.5 . 1 . . . . 17 . . . 5078 1 173 . 1 1 18 18 GLU N N 15 118.79 0.5 . 1 . . . . 17 . . . 5078 1 174 . 1 1 19 19 VAL H H 1 8.34 0.04 . 1 . . . . 18 . . . 5078 1 175 . 1 1 19 19 VAL HA H 1 4.69 0.04 . 1 . . . . 18 . . . 5078 1 176 . 1 1 19 19 VAL HB H 1 1.81 0.04 . 1 . . . . 18 . . . 5078 1 177 . 1 1 19 19 VAL HG11 H 1 0.58 0.04 . 2 . . . . 18 . . . 5078 1 178 . 1 1 19 19 VAL HG12 H 1 0.58 0.04 . 2 . . . . 18 . . . 5078 1 179 . 1 1 19 19 VAL HG13 H 1 0.58 0.04 . 2 . . . . 18 . . . 5078 1 180 . 1 1 19 19 VAL HG21 H 1 0.30 0.04 . 2 . . . . 18 . . . 5078 1 181 . 1 1 19 19 VAL HG22 H 1 0.30 0.04 . 2 . . . . 18 . . . 5078 1 182 . 1 1 19 19 VAL HG23 H 1 0.30 0.04 . 2 . . . . 18 . . . 5078 1 183 . 1 1 19 19 VAL C C 13 173.63 0.5 . 1 . . . . 18 . . . 5078 1 184 . 1 1 19 19 VAL CA C 13 57.60 0.5 . 1 . . . . 18 . . . 5078 1 185 . 1 1 19 19 VAL CB C 13 35.65 0.5 . 1 . . . . 18 . . . 5078 1 186 . 1 1 19 19 VAL CG1 C 13 22.08 0.5 . 2 . . . . 18 . . . 5078 1 187 . 1 1 19 19 VAL CG2 C 13 18.33 0.5 . 2 . . . . 18 . . . 5078 1 188 . 1 1 19 19 VAL N N 15 112.23 0.5 . 1 . . . . 18 . . . 5078 1 189 . 1 1 20 20 THR H H 1 8.50 0.04 . 1 . . . . 19 . . . 5078 1 190 . 1 1 20 20 THR HA H 1 4.83 0.04 . 1 . . . . 19 . . . 5078 1 191 . 1 1 20 20 THR HB H 1 3.72 0.04 . 1 . . . . 19 . . . 5078 1 192 . 1 1 20 20 THR HG21 H 1 0.93 0.04 . 1 . . . . 19 . . . 5078 1 193 . 1 1 20 20 THR HG22 H 1 0.93 0.04 . 1 . . . . 19 . . . 5078 1 194 . 1 1 20 20 THR HG23 H 1 0.93 0.04 . 1 . . . . 19 . . . 5078 1 195 . 1 1 20 20 THR C C 13 175.21 0.5 . 1 . . . . 19 . . . 5078 1 196 . 1 1 20 20 THR CA C 13 60.49 0.5 . 1 . . . . 19 . . . 5078 1 197 . 1 1 20 20 THR CB C 13 69.24 0.5 . 1 . . . . 19 . . . 5078 1 198 . 1 1 20 20 THR CG2 C 13 20.99 0.5 . 1 . . . . 19 . . . 5078 1 199 . 1 1 20 20 THR N N 15 114.10 0.5 . 1 . . . . 19 . . . 5078 1 200 . 1 1 21 21 VAL H H 1 8.51 0.04 . 1 . . . . 20 . . . 5078 1 201 . 1 1 21 21 VAL HA H 1 3.48 0.04 . 1 . . . . 20 . . . 5078 1 202 . 1 1 21 21 VAL HB H 1 1.95 0.04 . 1 . . . . 20 . . . 5078 1 203 . 1 1 21 21 VAL HG11 H 1 0.30 0.04 . 2 . . . . 20 . . . 5078 1 204 . 1 1 21 21 VAL HG12 H 1 0.30 0.04 . 2 . . . . 20 . . . 5078 1 205 . 1 1 21 21 VAL HG13 H 1 0.30 0.04 . 2 . . . . 20 . . . 5078 1 206 . 1 1 21 21 VAL HG21 H 1 -0.07 0.04 . 2 . . . . 20 . . . 5078 1 207 . 1 1 21 21 VAL HG22 H 1 -0.07 0.04 . 2 . . . . 20 . . . 5078 1 208 . 1 1 21 21 VAL HG23 H 1 -0.07 0.04 . 2 . . . . 20 . . . 5078 1 209 . 1 1 21 21 VAL C C 13 174.45 0.5 . 1 . . . . 20 . . . 5078 1 210 . 1 1 21 21 VAL CA C 13 63.28 0.5 . 1 . . . . 20 . . . 5078 1 211 . 1 1 21 21 VAL CB C 13 29.84 0.5 . 1 . . . . 20 . . . 5078 1 212 . 1 1 21 21 VAL CG1 C 13 19.89 0.5 . 2 . . . . 20 . . . 5078 1 213 . 1 1 21 21 VAL CG2 C 13 18.64 0.5 . 2 . . . . 20 . . . 5078 1 214 . 1 1 21 21 VAL N N 15 125.82 0.5 . 1 . . . . 20 . . . 5078 1 215 . 1 1 22 22 LYS H H 1 8.45 0.04 . 1 . . . . 21 . . . 5078 1 216 . 1 1 22 22 LYS HA H 1 4.38 0.04 . 1 . . . . 21 . . . 5078 1 217 . 1 1 22 22 LYS HB2 H 1 1.36 0.04 . 2 . . . . 21 . . . 5078 1 218 . 1 1 22 22 LYS HB3 H 1 1.58 0.04 . 2 . . . . 21 . . . 5078 1 219 . 1 1 22 22 LYS HE2 H 1 2.92 0.04 . 2 . . . . 21 . . . 5078 1 220 . 1 1 22 22 LYS HE3 H 1 2.76 0.04 . 2 . . . . 21 . . . 5078 1 221 . 1 1 22 22 LYS C C 13 176.03 0.5 . 1 . . . . 21 . . . 5078 1 222 . 1 1 22 22 LYS CA C 13 54.79 0.5 . 1 . . . . 21 . . . 5078 1 223 . 1 1 22 22 LYS CB C 13 32.52 0.5 . 1 . . . . 21 . . . 5078 1 224 . 1 1 22 22 LYS CG C 13 23.02 0.5 . 1 . . . . 21 . . . 5078 1 225 . 1 1 22 22 LYS CD C 13 26.77 0.5 . 1 . . . . 21 . . . 5078 1 226 . 1 1 22 22 LYS CE C 13 40.52 0.5 . 1 . . . . 21 . . . 5078 1 227 . 1 1 22 22 LYS N N 15 128.64 0.5 . 1 . . . . 21 . . . 5078 1 228 . 1 1 23 23 GLU H H 1 7.21 0.04 . 1 . . . . 22 . . . 5078 1 229 . 1 1 23 23 GLU HA H 1 4.20 0.04 . 1 . . . . 22 . . . 5078 1 230 . 1 1 23 23 GLU HB2 H 1 1.28 0.04 . 2 . . . . 22 . . . 5078 1 231 . 1 1 23 23 GLU HB3 H 1 1.59 0.04 . 2 . . . . 22 . . . 5078 1 232 . 1 1 23 23 GLU C C 13 174.68 0.5 . 1 . . . . 22 . . . 5078 1 233 . 1 1 23 23 GLU CA C 13 55.49 0.5 . 1 . . . . 22 . . . 5078 1 234 . 1 1 23 23 GLU CB C 13 31.90 0.5 . 1 . . . . 22 . . . 5078 1 235 . 1 1 23 23 GLU CG C 13 34.42 0.5 . 1 . . . . 22 . . . 5078 1 236 . 1 1 23 23 GLU N N 15 115.51 0.5 . 1 . . . . 22 . . . 5078 1 237 . 1 1 24 24 TRP H H 1 8.61 0.04 . 5 . . . . 23 . . . 5078 1 238 . 1 1 24 24 TRP HA H 1 4.90 0.04 . 1 . . . . 23 . . . 5078 1 239 . 1 1 24 24 TRP HB2 H 1 3.65 0.04 . 2 . . . . 23 . . . 5078 1 240 . 1 1 24 24 TRP HB3 H 1 3.11 0.04 . 2 . . . . 23 . . . 5078 1 241 . 1 1 24 24 TRP HD1 H 1 7.12 0.04 . 1 . . . . 23 . . . 5078 1 242 . 1 1 24 24 TRP HE1 H 1 9.15 0.04 . 1 . . . . 23 . . . 5078 1 243 . 1 1 24 24 TRP HE3 H 1 7.89 0.04 . 1 . . . . 23 . . . 5078 1 244 . 1 1 24 24 TRP HZ2 H 1 7.67 0.04 . 1 . . . . 23 . . . 5078 1 245 . 1 1 24 24 TRP HZ3 H 1 6.80 0.04 . 1 . . . . 23 . . . 5078 1 246 . 1 1 24 24 TRP HH2 H 1 7.52 0.04 . 1 . . . . 23 . . . 5078 1 247 . 1 1 24 24 TRP C C 13 176.38 0.5 . 1 . . . . 23 . . . 5078 1 248 . 1 1 24 24 TRP CA C 13 55.46 0.5 . 1 . . . . 23 . . . 5078 1 249 . 1 1 24 24 TRP CB C 13 30.96 0.5 . 1 . . . . 23 . . . 5078 1 250 . 1 1 24 24 TRP N N 15 123.48 0.5 . 1 . . . . 23 . . . 5078 1 251 . 1 1 24 24 TRP NE1 N 15 125.08 0.5 . 1 . . . . 23 . . . 5078 1 252 . 1 1 25 25 TYR H H 1 8.53 0.04 . 5 . . . . 24 . . . 5078 1 253 . 1 1 25 25 TYR HA H 1 4.80 0.04 . 1 . . . . 24 . . . 5078 1 254 . 1 1 25 25 TYR HB2 H 1 3.37 0.04 . 2 . . . . 24 . . . 5078 1 255 . 1 1 25 25 TYR HB3 H 1 2.40 0.04 . 2 . . . . 24 . . . 5078 1 256 . 1 1 25 25 TYR C C 13 174.51 0.5 . 1 . . . . 24 . . . 5078 1 257 . 1 1 25 25 TYR CA C 13 57.05 0.5 . 1 . . . . 24 . . . 5078 1 258 . 1 1 25 25 TYR CB C 13 37.91 0.5 . 1 . . . . 24 . . . 5078 1 259 . 1 1 25 25 TYR N N 15 120.20 0.5 . 1 . . . . 24 . . . 5078 1 260 . 1 1 26 26 VAL H H 1 7.39 0.04 . 1 . . . . 25 . . . 5078 1 261 . 1 1 26 26 VAL HA H 1 4.94 0.04 . 1 . . . . 25 . . . 5078 1 262 . 1 1 26 26 VAL HB H 1 2.29 0.04 . 1 . . . . 25 . . . 5078 1 263 . 1 1 26 26 VAL HG11 H 1 1.16 0.04 . 2 . . . . 25 . . . 5078 1 264 . 1 1 26 26 VAL HG12 H 1 1.16 0.04 . 2 . . . . 25 . . . 5078 1 265 . 1 1 26 26 VAL HG13 H 1 1.16 0.04 . 2 . . . . 25 . . . 5078 1 266 . 1 1 26 26 VAL HG21 H 1 1.05 0.04 . 2 . . . . 25 . . . 5078 1 267 . 1 1 26 26 VAL HG22 H 1 1.05 0.04 . 2 . . . . 25 . . . 5078 1 268 . 1 1 26 26 VAL HG23 H 1 1.05 0.04 . 2 . . . . 25 . . . 5078 1 269 . 1 1 26 26 VAL C C 13 173.10 0.5 . 1 . . . . 25 . . . 5078 1 270 . 1 1 26 26 VAL CA C 13 56.97 0.5 . 1 . . . . 25 . . . 5078 1 271 . 1 1 26 26 VAL CB C 13 35.33 0.5 . 1 . . . . 25 . . . 5078 1 272 . 1 1 26 26 VAL CG1 C 13 21.45 0.5 . 2 . . . . 25 . . . 5078 1 273 . 1 1 26 26 VAL CG2 C 13 17.24 0.5 . 2 . . . . 25 . . . 5078 1 274 . 1 1 26 26 VAL N N 15 107.54 0.5 . 1 . . . . 25 . . . 5078 1 275 . 1 1 27 27 LYS H H 1 8.59 0.04 . 1 . . . . 26 . . . 5078 1 276 . 1 1 27 27 LYS HA H 1 4.38 0.04 . 1 . . . . 26 . . . 5078 1 277 . 1 1 27 27 LYS HB2 H 1 1.68 0.04 . 2 . . . . 26 . . . 5078 1 278 . 1 1 27 27 LYS HB3 H 1 1.47 0.04 . 2 . . . . 26 . . . 5078 1 279 . 1 1 27 27 LYS HG2 H 1 1.37 0.04 . 2 . . . . 26 . . . 5078 1 280 . 1 1 27 27 LYS HG3 H 1 1.48 0.04 . 2 . . . . 26 . . . 5078 1 281 . 1 1 27 27 LYS HD2 H 1 1.63 0.04 . 2 . . . . 26 . . . 5078 1 282 . 1 1 27 27 LYS HD3 H 1 1.19 0.04 . 2 . . . . 26 . . . 5078 1 283 . 1 1 27 27 LYS HE2 H 1 3.01 0.04 . 2 . . . . 26 . . . 5078 1 284 . 1 1 27 27 LYS HE3 H 1 2.96 0.04 . 2 . . . . 26 . . . 5078 1 285 . 1 1 27 27 LYS C C 13 175.44 0.5 . 1 . . . . 26 . . . 5078 1 286 . 1 1 27 27 LYS CA C 13 52.65 0.5 . 1 . . . . 26 . . . 5078 1 287 . 1 1 27 27 LYS CB C 13 35.15 0.5 . 1 . . . . 26 . . . 5078 1 288 . 1 1 27 27 LYS CG C 13 23.80 0.5 . 1 . . . . 26 . . . 5078 1 289 . 1 1 27 27 LYS CD C 13 28.17 0.5 . 1 . . . . 26 . . . 5078 1 290 . 1 1 27 27 LYS CE C 13 41.14 0.5 . 1 . . . . 26 . . . 5078 1 291 . 1 1 27 27 LYS N N 15 117.39 0.5 . 1 . . . . 26 . . . 5078 1 292 . 1 1 28 28 GLU H H 1 8.75 0.04 . 1 . . . . 27 . . . 5078 1 293 . 1 1 28 28 GLU HA H 1 3.40 0.04 . 1 . . . . 27 . . . 5078 1 294 . 1 1 28 28 GLU HB2 H 1 1.76 0.04 . 2 . . . . 27 . . . 5078 1 295 . 1 1 28 28 GLU HB3 H 1 1.77 0.04 . 2 . . . . 27 . . . 5078 1 296 . 1 1 28 28 GLU HG2 H 1 1.99 0.04 . 2 . . . . 27 . . . 5078 1 297 . 1 1 28 28 GLU C C 13 177.26 0.5 . 1 . . . . 27 . . . 5078 1 298 . 1 1 28 28 GLU CA C 13 58.30 0.5 . 1 . . . . 27 . . . 5078 1 299 . 1 1 28 28 GLU CB C 13 27.96 0.5 . 1 . . . . 27 . . . 5078 1 300 . 1 1 28 28 GLU CG C 13 35.99 0.5 . 1 . . . . 27 . . . 5078 1 301 . 1 1 28 28 GLU N N 15 118.79 0.5 . 1 . . . . 27 . . . 5078 1 302 . 1 1 29 29 GLY H H 1 9.19 0.04 . 1 . . . . 28 . . . 5078 1 303 . 1 1 29 29 GLY HA2 H 1 4.38 0.04 . 2 . . . . 28 . . . 5078 1 304 . 1 1 29 29 GLY HA3 H 1 3.46 0.04 . 2 . . . . 28 . . . 5078 1 305 . 1 1 29 29 GLY C C 13 174.51 0.5 . 1 . . . . 28 . . . 5078 1 306 . 1 1 29 29 GLY CA C 13 43.85 0.5 . 1 . . . . 28 . . . 5078 1 307 . 1 1 29 29 GLY N N 15 112.70 0.5 . 1 . . . . 28 . . . 5078 1 308 . 1 1 30 30 ASP H H 1 7.96 0.04 . 1 . . . . 29 . . . 5078 1 309 . 1 1 30 30 ASP HA H 1 4.69 0.04 . 1 . . . . 29 . . . 5078 1 310 . 1 1 30 30 ASP HB2 H 1 2.87 0.04 . 2 . . . . 29 . . . 5078 1 311 . 1 1 30 30 ASP HB3 H 1 2.71 0.04 . 2 . . . . 29 . . . 5078 1 312 . 1 1 30 30 ASP C C 13 175.91 0.5 . 1 . . . . 29 . . . 5078 1 313 . 1 1 30 30 ASP CA C 13 54.16 0.5 . 1 . . . . 29 . . . 5078 1 314 . 1 1 30 30 ASP CB C 13 40.10 0.5 . 1 . . . . 29 . . . 5078 1 315 . 1 1 30 30 ASP N N 15 121.14 0.5 . 1 . . . . 29 . . . 5078 1 316 . 1 1 31 31 THR H H 1 8.50 0.04 . 1 . . . . 30 . . . 5078 1 317 . 1 1 31 31 THR HA H 1 4.85 0.04 . 1 . . . . 30 . . . 5078 1 318 . 1 1 31 31 THR HB H 1 4.07 0.04 . 1 . . . . 30 . . . 5078 1 319 . 1 1 31 31 THR HG21 H 1 1.17 0.04 . 1 . . . . 30 . . . 5078 1 320 . 1 1 31 31 THR HG22 H 1 1.17 0.04 . 1 . . . . 30 . . . 5078 1 321 . 1 1 31 31 THR HG23 H 1 1.17 0.04 . 1 . . . . 30 . . . 5078 1 322 . 1 1 31 31 THR C C 13 174.45 0.5 . 1 . . . . 30 . . . 5078 1 323 . 1 1 31 31 THR CA C 13 61.43 0.5 . 1 . . . . 30 . . . 5078 1 324 . 1 1 31 31 THR CB C 13 68.62 0.5 . 1 . . . . 30 . . . 5078 1 325 . 1 1 31 31 THR CG2 C 13 20.99 0.5 . 1 . . . . 30 . . . 5078 1 326 . 1 1 31 31 THR N N 15 115.51 0.5 . 1 . . . . 30 . . . 5078 1 327 . 1 1 32 32 VAL H H 1 9.31 0.04 . 1 . . . . 31 . . . 5078 1 328 . 1 1 32 32 VAL HA H 1 4.85 0.04 . 1 . . . . 31 . . . 5078 1 329 . 1 1 32 32 VAL HB H 1 2.18 0.04 . 1 . . . . 31 . . . 5078 1 330 . 1 1 32 32 VAL HG11 H 1 0.89 0.04 . 2 . . . . 31 . . . 5078 1 331 . 1 1 32 32 VAL HG12 H 1 0.89 0.04 . 2 . . . . 31 . . . 5078 1 332 . 1 1 32 32 VAL HG13 H 1 0.89 0.04 . 2 . . . . 31 . . . 5078 1 333 . 1 1 32 32 VAL HG21 H 1 0.81 0.04 . 2 . . . . 31 . . . 5078 1 334 . 1 1 32 32 VAL HG22 H 1 0.81 0.04 . 2 . . . . 31 . . . 5078 1 335 . 1 1 32 32 VAL HG23 H 1 0.81 0.04 . 2 . . . . 31 . . . 5078 1 336 . 1 1 32 32 VAL C C 13 174.86 0.5 . 1 . . . . 31 . . . 5078 1 337 . 1 1 32 32 VAL CA C 13 57.99 0.5 . 1 . . . . 31 . . . 5078 1 338 . 1 1 32 32 VAL CB C 13 35.15 0.5 . 1 . . . . 31 . . . 5078 1 339 . 1 1 32 32 VAL CG1 C 13 21.14 0.5 . 2 . . . . 31 . . . 5078 1 340 . 1 1 32 32 VAL CG2 C 13 18.02 0.5 . 2 . . . . 31 . . . 5078 1 341 . 1 1 32 32 VAL N N 15 118.79 0.5 . 1 . . . . 31 . . . 5078 1 342 . 1 1 33 33 SER H H 1 8.99 0.04 . 1 . . . . 32 . . . 5078 1 343 . 1 1 33 33 SER HA H 1 5.28 0.04 . 1 . . . . 32 . . . 5078 1 344 . 1 1 33 33 SER HB2 H 1 3.83 0.04 . 2 . . . . 32 . . . 5078 1 345 . 1 1 33 33 SER HB3 H 1 3.61 0.04 . 2 . . . . 32 . . . 5078 1 346 . 1 1 33 33 SER C C 13 174.27 0.5 . 1 . . . . 32 . . . 5078 1 347 . 1 1 33 33 SER CA C 13 55.49 0.5 . 1 . . . . 32 . . . 5078 1 348 . 1 1 33 33 SER CB C 13 64.48 0.5 . 1 . . . . 32 . . . 5078 1 349 . 1 1 33 33 SER N N 15 119.73 0.5 . 1 . . . . 32 . . . 5078 1 350 . 1 1 34 34 GLN H H 1 8.42 0.04 . 1 . . . . 33 . . . 5078 1 351 . 1 1 34 34 GLN HA H 1 3.08 0.04 . 1 . . . . 33 . . . 5078 1 352 . 1 1 34 34 GLN HB2 H 1 1.34 0.04 . 2 . . . . 33 . . . 5078 1 353 . 1 1 34 34 GLN HB3 H 1 1.39 0.04 . 2 . . . . 33 . . . 5078 1 354 . 1 1 34 34 GLN HG2 H 1 1.77 0.04 . 2 . . . . 33 . . . 5078 1 355 . 1 1 34 34 GLN HG3 H 1 1.09 0.04 . 2 . . . . 33 . . . 5078 1 356 . 1 1 34 34 GLN HE21 H 1 7.17 0.04 . 1 . . . . 33 . . . 5078 1 357 . 1 1 34 34 GLN HE22 H 1 6.58 0.04 . 1 . . . . 33 . . . 5078 1 358 . 1 1 34 34 GLN C C 13 176.09 0.5 . 1 . . . . 33 . . . 5078 1 359 . 1 1 34 34 GLN CA C 13 57.29 0.5 . 1 . . . . 33 . . . 5078 1 360 . 1 1 34 34 GLN CB C 13 27.75 0.5 . 1 . . . . 33 . . . 5078 1 361 . 1 1 34 34 GLN CG C 13 32.39 0.5 . 1 . . . . 33 . . . 5078 1 362 . 1 1 34 34 GLN N N 15 121.14 0.5 . 1 . . . . 33 . . . 5078 1 363 . 1 1 34 34 GLN NE2 N 15 110.35 0.5 . 1 . . . . 33 . . . 5078 1 364 . 1 1 35 35 PHE H H 1 8.66 0.04 . 1 . . . . 34 . . . 5078 1 365 . 1 1 35 35 PHE HA H 1 4.04 0.04 . 1 . . . . 34 . . . 5078 1 366 . 1 1 35 35 PHE HB2 H 1 3.44 0.04 . 2 . . . . 34 . . . 5078 1 367 . 1 1 35 35 PHE HB3 H 1 2.95 0.04 . 2 . . . . 34 . . . 5078 1 368 . 1 1 35 35 PHE C C 13 175.09 0.5 . 1 . . . . 34 . . . 5078 1 369 . 1 1 35 35 PHE CA C 13 59.47 0.5 . 1 . . . . 34 . . . 5078 1 370 . 1 1 35 35 PHE CB C 13 35.57 0.5 . 1 . . . . 34 . . . 5078 1 371 . 1 1 35 35 PHE N N 15 115.04 0.5 . 1 . . . . 34 . . . 5078 1 372 . 1 1 36 36 ASP H H 1 8.16 0.04 . 1 . . . . 35 . . . 5078 1 373 . 1 1 36 36 ASP HA H 1 4.68 0.04 . 1 . . . . 35 . . . 5078 1 374 . 1 1 36 36 ASP HB2 H 1 2.94 0.04 . 2 . . . . 35 . . . 5078 1 375 . 1 1 36 36 ASP HB3 H 1 2.69 0.04 . 2 . . . . 35 . . . 5078 1 376 . 1 1 36 36 ASP C C 13 177.38 0.5 . 1 . . . . 35 . . . 5078 1 377 . 1 1 36 36 ASP CA C 13 53.90 0.5 . 1 . . . . 35 . . . 5078 1 378 . 1 1 36 36 ASP CB C 13 40.15 0.5 . 1 . . . . 35 . . . 5078 1 379 . 1 1 36 36 ASP N N 15 120.20 0.5 . 1 . . . . 35 . . . 5078 1 380 . 1 1 37 37 SER H H 1 8.76 0.04 . 1 . . . . 36 . . . 5078 1 381 . 1 1 37 37 SER HA H 1 4.15 0.04 . 1 . . . . 36 . . . 5078 1 382 . 1 1 37 37 SER HB2 H 1 3.35 0.04 . 2 . . . . 36 . . . 5078 1 383 . 1 1 37 37 SER C C 13 173.22 0.5 . 1 . . . . 36 . . . 5078 1 384 . 1 1 37 37 SER CA C 13 58.59 0.5 . 1 . . . . 36 . . . 5078 1 385 . 1 1 37 37 SER CB C 13 62.29 0.5 . 1 . . . . 36 . . . 5078 1 386 . 1 1 37 37 SER N N 15 116.92 0.5 . 1 . . . . 36 . . . 5078 1 387 . 1 1 38 38 ILE H H 1 9.43 0.04 . 1 . . . . 37 . . . 5078 1 388 . 1 1 38 38 ILE HA H 1 4.68 0.04 . 1 . . . . 37 . . . 5078 1 389 . 1 1 38 38 ILE HB H 1 1.93 0.04 . 1 . . . . 37 . . . 5078 1 390 . 1 1 38 38 ILE HG12 H 1 1.53 0.04 . 2 . . . . 37 . . . 5078 1 391 . 1 1 38 38 ILE HG13 H 1 1.13 0.04 . 2 . . . . 37 . . . 5078 1 392 . 1 1 38 38 ILE HG21 H 1 1.23 0.04 . 1 . . . . 37 . . . 5078 1 393 . 1 1 38 38 ILE HG22 H 1 1.23 0.04 . 1 . . . . 37 . . . 5078 1 394 . 1 1 38 38 ILE HG23 H 1 1.23 0.04 . 1 . . . . 37 . . . 5078 1 395 . 1 1 38 38 ILE HD11 H 1 0.80 0.04 . 1 . . . . 37 . . . 5078 1 396 . 1 1 38 38 ILE HD12 H 1 0.80 0.04 . 1 . . . . 37 . . . 5078 1 397 . 1 1 38 38 ILE HD13 H 1 0.80 0.04 . 1 . . . . 37 . . . 5078 1 398 . 1 1 38 38 ILE C C 13 176.09 0.5 . 1 . . . . 37 . . . 5078 1 399 . 1 1 38 38 ILE CA C 13 60.72 0.5 . 1 . . . . 37 . . . 5078 1 400 . 1 1 38 38 ILE CB C 13 38.30 0.5 . 1 . . . . 37 . . . 5078 1 401 . 1 1 38 38 ILE CG1 C 13 26.30 0.5 . 1 . . . . 37 . . . 5078 1 402 . 1 1 38 38 ILE CG2 C 13 17.24 0.5 . 1 . . . . 37 . . . 5078 1 403 . 1 1 38 38 ILE CD1 C 13 11.14 0.5 . 1 . . . . 37 . . . 5078 1 404 . 1 1 38 38 ILE N N 15 119.26 0.5 . 1 . . . . 37 . . . 5078 1 405 . 1 1 39 39 CYS H H 1 7.93 0.04 . 1 . . . . 38 . . . 5078 1 406 . 1 1 39 39 CYS HA H 1 4.88 0.04 . 1 . . . . 38 . . . 5078 1 407 . 1 1 39 39 CYS HB2 H 1 2.89 0.04 . 2 . . . . 38 . . . 5078 1 408 . 1 1 39 39 CYS HB3 H 1 2.56 0.04 . 2 . . . . 38 . . . 5078 1 409 . 1 1 39 39 CYS C C 13 170.40 0.5 . 1 . . . . 38 . . . 5078 1 410 . 1 1 39 39 CYS CA C 13 54.87 0.5 . 1 . . . . 38 . . . 5078 1 411 . 1 1 39 39 CYS CB C 13 29.40 0.5 . 1 . . . . 38 . . . 5078 1 412 . 1 1 39 39 CYS N N 15 112.70 0.5 . 1 . . . . 38 . . . 5078 1 413 . 1 1 40 40 GLU H H 1 8.74 0.04 . 1 . . . . 39 . . . 5078 1 414 . 1 1 40 40 GLU HA H 1 5.24 0.04 . 1 . . . . 39 . . . 5078 1 415 . 1 1 40 40 GLU HB2 H 1 1.99 0.04 . 2 . . . . 39 . . . 5078 1 416 . 1 1 40 40 GLU HB3 H 1 1.74 0.04 . 2 . . . . 39 . . . 5078 1 417 . 1 1 40 40 GLU C C 13 176.15 0.5 . 1 . . . . 39 . . . 5078 1 418 . 1 1 40 40 GLU CA C 13 53.62 0.5 . 1 . . . . 39 . . . 5078 1 419 . 1 1 40 40 GLU CB C 13 31.71 0.5 . 1 . . . . 39 . . . 5078 1 420 . 1 1 40 40 GLU CG C 13 33.96 0.5 . 1 . . . . 39 . . . 5078 1 421 . 1 1 40 40 GLU N N 15 123.95 0.5 . 1 . . . . 39 . . . 5078 1 422 . 1 1 41 41 VAL H H 1 9.19 0.04 . 1 . . . . 40 . . . 5078 1 423 . 1 1 41 41 VAL HA H 1 5.28 0.04 . 1 . . . . 40 . . . 5078 1 424 . 1 1 41 41 VAL HB H 1 1.71 0.04 . 1 . . . . 40 . . . 5078 1 425 . 1 1 41 41 VAL HG11 H 1 0.55 0.04 . 2 . . . . 40 . . . 5078 1 426 . 1 1 41 41 VAL HG12 H 1 0.55 0.04 . 2 . . . . 40 . . . 5078 1 427 . 1 1 41 41 VAL HG13 H 1 0.55 0.04 . 2 . . . . 40 . . . 5078 1 428 . 1 1 41 41 VAL HG21 H 1 0.69 0.04 . 2 . . . . 40 . . . 5078 1 429 . 1 1 41 41 VAL HG22 H 1 0.69 0.04 . 2 . . . . 40 . . . 5078 1 430 . 1 1 41 41 VAL HG23 H 1 0.69 0.04 . 2 . . . . 40 . . . 5078 1 431 . 1 1 41 41 VAL C C 13 173.57 0.5 . 1 . . . . 40 . . . 5078 1 432 . 1 1 41 41 VAL CA C 13 56.74 0.5 . 1 . . . . 40 . . . 5078 1 433 . 1 1 41 41 VAL CB C 13 33.27 0.5 . 1 . . . . 40 . . . 5078 1 434 . 1 1 41 41 VAL CG1 C 13 20.99 0.5 . 2 . . . . 40 . . . 5078 1 435 . 1 1 41 41 VAL CG2 C 13 17.70 0.5 . 2 . . . . 40 . . . 5078 1 436 . 1 1 41 41 VAL N N 15 118.32 0.5 . 1 . . . . 40 . . . 5078 1 437 . 1 1 42 42 GLN H H 1 9.02 0.04 . 1 . . . . 41 . . . 5078 1 438 . 1 1 42 42 GLN HA H 1 5.09 0.04 . 1 . . . . 41 . . . 5078 1 439 . 1 1 42 42 GLN HB2 H 1 1.91 0.04 . 2 . . . . 41 . . . 5078 1 440 . 1 1 42 42 GLN HB3 H 1 1.81 0.04 . 2 . . . . 41 . . . 5078 1 441 . 1 1 42 42 GLN HG2 H 1 2.29 0.04 . 2 . . . . 41 . . . 5078 1 442 . 1 1 42 42 GLN HG3 H 1 2.20 0.04 . 2 . . . . 41 . . . 5078 1 443 . 1 1 42 42 GLN HE21 H 1 7.38 0.04 . 1 . . . . 41 . . . 5078 1 444 . 1 1 42 42 GLN HE22 H 1 6.63 0.04 . 1 . . . . 41 . . . 5078 1 445 . 1 1 42 42 GLN C C 13 175.50 0.5 . 1 . . . . 41 . . . 5078 1 446 . 1 1 42 42 GLN CA C 13 53.62 0.5 . 1 . . . . 41 . . . 5078 1 447 . 1 1 42 42 GLN CB C 13 31.71 0.5 . 1 . . . . 41 . . . 5078 1 448 . 1 1 42 42 GLN CG C 13 32.70 0.5 . 1 . . . . 41 . . . 5078 1 449 . 1 1 42 42 GLN N N 15 120.20 0.5 . 1 . . . . 41 . . . 5078 1 450 . 1 1 42 42 GLN NE2 N 15 110.35 0.5 . 1 . . . . 41 . . . 5078 1 451 . 1 1 43 43 SER H H 1 8.83 0.04 . 1 . . . . 42 . . . 5078 1 452 . 1 1 43 43 SER HA H 1 4.99 0.04 . 1 . . . . 42 . . . 5078 1 453 . 1 1 43 43 SER HB2 H 1 4.13 0.04 . 2 . . . . 42 . . . 5078 1 454 . 1 1 43 43 SER HB3 H 1 3.74 0.04 . 2 . . . . 42 . . . 5078 1 455 . 1 1 43 43 SER C C 13 173.86 0.5 . 1 . . . . 42 . . . 5078 1 456 . 1 1 43 43 SER CA C 13 55.15 0.5 . 1 . . . . 42 . . . 5078 1 457 . 1 1 43 43 SER CB C 13 64.21 0.5 . 1 . . . . 42 . . . 5078 1 458 . 1 1 43 43 SER N N 15 121.61 0.5 . 1 . . . . 42 . . . 5078 1 459 . 1 1 44 44 ASP HA H 1 4.29 0.04 . 1 . . . . 43 . . . 5078 1 460 . 1 1 44 44 ASP HB2 H 1 2.83 0.04 . 2 . . . . 43 . . . 5078 1 461 . 1 1 44 44 ASP HB3 H 1 2.66 0.04 . 2 . . . . 43 . . . 5078 1 462 . 1 1 44 44 ASP CA C 13 55.67 0.5 . 1 . . . . 43 . . . 5078 1 463 . 1 1 44 44 ASP CB C 13 38.96 0.5 . 1 . . . . 43 . . . 5078 1 464 . 1 1 45 45 LYS H H 1 8.05 0.04 . 1 . . . . 44 . . . 5078 1 465 . 1 1 45 45 LYS HA H 1 4.33 0.04 . 1 . . . . 44 . . . 5078 1 466 . 1 1 45 45 LYS HB2 H 1 1.87 0.04 . 2 . . . . 44 . . . 5078 1 467 . 1 1 45 45 LYS HB3 H 1 1.65 0.04 . 2 . . . . 44 . . . 5078 1 468 . 1 1 45 45 LYS HG2 H 1 1.37 0.04 . 2 . . . . 44 . . . 5078 1 469 . 1 1 45 45 LYS HD2 H 1 1.74 0.04 . 2 . . . . 44 . . . 5078 1 470 . 1 1 45 45 LYS HE2 H 1 2.97 0.04 . 2 . . . . 44 . . . 5078 1 471 . 1 1 45 45 LYS C C 13 175.85 0.5 . 1 . . . . 44 . . . 5078 1 472 . 1 1 45 45 LYS CA C 13 55.10 0.5 . 1 . . . . 44 . . . 5078 1 473 . 1 1 45 45 LYS CB C 13 32.91 0.5 . 1 . . . . 44 . . . 5078 1 474 . 1 1 45 45 LYS CG C 13 23.64 0.5 . 1 . . . . 44 . . . 5078 1 475 . 1 1 45 45 LYS CD C 13 27.86 0.5 . 1 . . . . 44 . . . 5078 1 476 . 1 1 45 45 LYS CE C 13 41.14 0.5 . 1 . . . . 44 . . . 5078 1 477 . 1 1 45 45 LYS N N 15 116.45 0.5 . 1 . . . . 44 . . . 5078 1 478 . 1 1 46 46 ALA H H 1 7.72 0.04 . 1 . . . . 45 . . . 5078 1 479 . 1 1 46 46 ALA HA H 1 4.56 0.04 . 1 . . . . 45 . . . 5078 1 480 . 1 1 46 46 ALA HB1 H 1 1.30 0.04 . 1 . . . . 45 . . . 5078 1 481 . 1 1 46 46 ALA HB2 H 1 1.30 0.04 . 1 . . . . 45 . . . 5078 1 482 . 1 1 46 46 ALA HB3 H 1 1.30 0.04 . 1 . . . . 45 . . . 5078 1 483 . 1 1 46 46 ALA C C 13 175.62 0.5 . 1 . . . . 45 . . . 5078 1 484 . 1 1 46 46 ALA CA C 13 51.04 0.5 . 1 . . . . 45 . . . 5078 1 485 . 1 1 46 46 ALA CB C 13 20.88 0.5 . 1 . . . . 45 . . . 5078 1 486 . 1 1 46 46 ALA N N 15 121.14 0.5 . 1 . . . . 45 . . . 5078 1 487 . 1 1 47 47 SER H H 1 8.30 0.04 . 1 . . . . 46 . . . 5078 1 488 . 1 1 47 47 SER HA H 1 5.18 0.04 . 1 . . . . 46 . . . 5078 1 489 . 1 1 47 47 SER HB2 H 1 3.82 0.04 . 2 . . . . 46 . . . 5078 1 490 . 1 1 47 47 SER HB3 H 1 3.66 0.04 . 2 . . . . 46 . . . 5078 1 491 . 1 1 47 47 SER C C 13 174.04 0.5 . 1 . . . . 46 . . . 5078 1 492 . 1 1 47 47 SER CA C 13 56.74 0.5 . 1 . . . . 46 . . . 5078 1 493 . 1 1 47 47 SER CB C 13 63.54 0.5 . 1 . . . . 46 . . . 5078 1 494 . 1 1 47 47 SER N N 15 116.45 0.5 . 1 . . . . 46 . . . 5078 1 495 . 1 1 48 48 VAL H H 1 9.18 0.04 . 1 . . . . 47 . . . 5078 1 496 . 1 1 48 48 VAL HA H 1 4.37 0.04 . 1 . . . . 47 . . . 5078 1 497 . 1 1 48 48 VAL HB H 1 1.78 0.04 . 1 . . . . 47 . . . 5078 1 498 . 1 1 48 48 VAL HG11 H 1 0.82 0.04 . 2 . . . . 47 . . . 5078 1 499 . 1 1 48 48 VAL HG12 H 1 0.82 0.04 . 2 . . . . 47 . . . 5078 1 500 . 1 1 48 48 VAL HG13 H 1 0.82 0.04 . 2 . . . . 47 . . . 5078 1 501 . 1 1 48 48 VAL HG21 H 1 0.80 0.04 . 2 . . . . 47 . . . 5078 1 502 . 1 1 48 48 VAL HG22 H 1 0.80 0.04 . 2 . . . . 47 . . . 5078 1 503 . 1 1 48 48 VAL HG23 H 1 0.80 0.04 . 2 . . . . 47 . . . 5078 1 504 . 1 1 48 48 VAL C C 13 174.27 0.5 . 1 . . . . 47 . . . 5078 1 505 . 1 1 48 48 VAL CA C 13 60.41 0.5 . 1 . . . . 47 . . . 5078 1 506 . 1 1 48 48 VAL CB C 13 33.46 0.5 . 1 . . . . 47 . . . 5078 1 507 . 1 1 48 48 VAL CG1 C 13 20.05 0.5 . 2 . . . . 47 . . . 5078 1 508 . 1 1 48 48 VAL N N 15 124.89 0.5 . 1 . . . . 47 . . . 5078 1 509 . 1 1 49 49 THR H H 1 8.60 0.04 . 5 . . . . 48 . . . 5078 1 510 . 1 1 49 49 THR HA H 1 4.82 0.04 . 1 . . . . 48 . . . 5078 1 511 . 1 1 49 49 THR HB H 1 3.92 0.04 . 1 . . . . 48 . . . 5078 1 512 . 1 1 49 49 THR HG21 H 1 1.16 0.04 . 1 . . . . 48 . . . 5078 1 513 . 1 1 49 49 THR HG22 H 1 1.16 0.04 . 1 . . . . 48 . . . 5078 1 514 . 1 1 49 49 THR HG23 H 1 1.16 0.04 . 1 . . . . 48 . . . 5078 1 515 . 1 1 49 49 THR C C 13 173.98 0.5 . 1 . . . . 48 . . . 5078 1 516 . 1 1 49 49 THR CA C 13 61.27 0.5 . 1 . . . . 48 . . . 5078 1 517 . 1 1 49 49 THR CB C 13 67.91 0.5 . 1 . . . . 48 . . . 5078 1 518 . 1 1 49 49 THR CG2 C 13 21.77 0.5 . 1 . . . . 48 . . . 5078 1 519 . 1 1 49 49 THR N N 15 123.48 0.5 . 1 . . . . 48 . . . 5078 1 520 . 1 1 50 50 ILE H H 1 9.20 0.04 . 1 . . . . 49 . . . 5078 1 521 . 1 1 50 50 ILE HA H 1 4.43 0.04 . 1 . . . . 49 . . . 5078 1 522 . 1 1 50 50 ILE HB H 1 2.36 0.04 . 1 . . . . 49 . . . 5078 1 523 . 1 1 50 50 ILE HG12 H 1 1.54 0.04 . 2 . . . . 49 . . . 5078 1 524 . 1 1 50 50 ILE HG13 H 1 1.57 0.04 . 2 . . . . 49 . . . 5078 1 525 . 1 1 50 50 ILE HG21 H 1 1.02 0.04 . 1 . . . . 49 . . . 5078 1 526 . 1 1 50 50 ILE HG22 H 1 1.02 0.04 . 1 . . . . 49 . . . 5078 1 527 . 1 1 50 50 ILE HG23 H 1 1.02 0.04 . 1 . . . . 49 . . . 5078 1 528 . 1 1 50 50 ILE HD11 H 1 0.62 0.04 . 1 . . . . 49 . . . 5078 1 529 . 1 1 50 50 ILE HD12 H 1 0.62 0.04 . 1 . . . . 49 . . . 5078 1 530 . 1 1 50 50 ILE HD13 H 1 0.62 0.04 . 1 . . . . 49 . . . 5078 1 531 . 1 1 50 50 ILE C C 13 176.21 0.5 . 1 . . . . 49 . . . 5078 1 532 . 1 1 50 50 ILE CA C 13 57.65 0.5 . 1 . . . . 49 . . . 5078 1 533 . 1 1 50 50 ILE CB C 13 35.46 0.5 . 1 . . . . 49 . . . 5078 1 534 . 1 1 50 50 ILE CG1 C 13 26.30 0.5 . 1 . . . . 49 . . . 5078 1 535 . 1 1 50 50 ILE CG2 C 13 16.45 0.5 . 1 . . . . 49 . . . 5078 1 536 . 1 1 50 50 ILE CD1 C 13 8.95 0.5 . 1 . . . . 49 . . . 5078 1 537 . 1 1 50 50 ILE N N 15 128.64 0.5 . 1 . . . . 49 . . . 5078 1 538 . 1 1 51 51 THR H H 1 8.56 0.04 . 1 . . . . 50 . . . 5078 1 539 . 1 1 51 51 THR HA H 1 5.11 0.04 . 1 . . . . 50 . . . 5078 1 540 . 1 1 51 51 THR HB H 1 3.86 0.04 . 1 . . . . 50 . . . 5078 1 541 . 1 1 51 51 THR HG21 H 1 1.08 0.04 . 1 . . . . 50 . . . 5078 1 542 . 1 1 51 51 THR HG22 H 1 1.08 0.04 . 1 . . . . 50 . . . 5078 1 543 . 1 1 51 51 THR HG23 H 1 1.08 0.04 . 1 . . . . 50 . . . 5078 1 544 . 1 1 51 51 THR C C 13 174.51 0.5 . 1 . . . . 50 . . . 5078 1 545 . 1 1 51 51 THR CA C 13 58.30 0.5 . 1 . . . . 50 . . . 5078 1 546 . 1 1 51 51 THR CB C 13 70.26 0.5 . 1 . . . . 50 . . . 5078 1 547 . 1 1 51 51 THR CG2 C 13 20.83 0.5 . 1 . . . . 50 . . . 5078 1 548 . 1 1 51 51 THR N N 15 118.32 0.5 . 1 . . . . 50 . . . 5078 1 549 . 1 1 52 52 SER H H 1 8.92 0.04 . 1 . . . . 51 . . . 5078 1 550 . 1 1 52 52 SER HA H 1 4.14 0.04 . 1 . . . . 51 . . . 5078 1 551 . 1 1 52 52 SER HB2 H 1 3.77 0.04 . 2 . . . . 51 . . . 5078 1 552 . 1 1 52 52 SER HB3 H 1 3.53 0.04 . 2 . . . . 51 . . . 5078 1 553 . 1 1 52 52 SER C C 13 177.20 0.5 . 1 . . . . 51 . . . 5078 1 554 . 1 1 52 52 SER CA C 13 57.96 0.5 . 1 . . . . 51 . . . 5078 1 555 . 1 1 52 52 SER CB C 13 62.91 0.5 . 1 . . . . 51 . . . 5078 1 556 . 1 1 52 52 SER N N 15 110.82 0.5 . 1 . . . . 51 . . . 5078 1 557 . 1 1 53 53 ARG H H 1 6.05 0.04 . 1 . . . . 52 . . . 5078 1 558 . 1 1 53 53 ARG HA H 1 4.21 0.04 . 1 . . . . 52 . . . 5078 1 559 . 1 1 53 53 ARG HB2 H 1 1.37 0.04 . 2 . . . . 52 . . . 5078 1 560 . 1 1 53 53 ARG HB3 H 1 1.19 0.04 . 2 . . . . 52 . . . 5078 1 561 . 1 1 53 53 ARG HG2 H 1 1.42 0.04 . 2 . . . . 52 . . . 5078 1 562 . 1 1 53 53 ARG HD2 H 1 3.08 0.04 . 2 . . . . 52 . . . 5078 1 563 . 1 1 53 53 ARG C C 13 173.39 0.5 . 1 . . . . 52 . . . 5078 1 564 . 1 1 53 53 ARG CA C 13 54.71 0.5 . 1 . . . . 52 . . . 5078 1 565 . 1 1 53 53 ARG CB C 13 30.10 0.5 . 1 . . . . 52 . . . 5078 1 566 . 1 1 53 53 ARG CG C 13 26.30 0.5 . 1 . . . . 52 . . . 5078 1 567 . 1 1 53 53 ARG CD C 13 41.92 0.5 . 1 . . . . 52 . . . 5078 1 568 . 1 1 53 53 ARG N N 15 125.36 0.5 . 1 . . . . 52 . . . 5078 1 569 . 1 1 54 54 TYR H H 1 7.52 0.04 . 1 . . . . 53 . . . 5078 1 570 . 1 1 54 54 TYR HA H 1 4.65 0.04 . 1 . . . . 53 . . . 5078 1 571 . 1 1 54 54 TYR HB2 H 1 2.93 0.04 . 2 . . . . 53 . . . 5078 1 572 . 1 1 54 54 TYR HB3 H 1 1.98 0.04 . 2 . . . . 53 . . . 5078 1 573 . 1 1 54 54 TYR C C 13 174.21 0.5 . 1 . . . . 53 . . . 5078 1 574 . 1 1 54 54 TYR CA C 13 55.49 0.5 . 1 . . . . 53 . . . 5078 1 575 . 1 1 54 54 TYR CB C 13 41.97 0.5 . 1 . . . . 53 . . . 5078 1 576 . 1 1 54 54 TYR N N 15 113.64 0.5 . 1 . . . . 53 . . . 5078 1 577 . 1 1 55 55 ASP H H 1 8.51 0.04 . 5 . . . . 54 . . . 5078 1 578 . 1 1 55 55 ASP HA H 1 5.13 0.04 . 1 . . . . 54 . . . 5078 1 579 . 1 1 55 55 ASP HB2 H 1 2.76 0.04 . 2 . . . . 54 . . . 5078 1 580 . 1 1 55 55 ASP HB3 H 1 2.59 0.04 . 2 . . . . 54 . . . 5078 1 581 . 1 1 55 55 ASP C C 13 176.09 0.5 . 1 . . . . 54 . . . 5078 1 582 . 1 1 55 55 ASP CA C 13 51.66 0.5 . 1 . . . . 54 . . . 5078 1 583 . 1 1 55 55 ASP CB C 13 41.58 0.5 . 1 . . . . 54 . . . 5078 1 584 . 1 1 55 55 ASP N N 15 120.20 0.5 . 1 . . . . 54 . . . 5078 1 585 . 1 1 56 56 GLY H H 1 8.84 0.04 . 1 . . . . 55 . . . 5078 1 586 . 1 1 56 56 GLY HA2 H 1 4.48 0.04 . 2 . . . . 55 . . . 5078 1 587 . 1 1 56 56 GLY HA3 H 1 4.01 0.04 . 2 . . . . 55 . . . 5078 1 588 . 1 1 56 56 GLY C C 13 170.93 0.5 . 1 . . . . 55 . . . 5078 1 589 . 1 1 56 56 GLY CA C 13 45.18 0.5 . 1 . . . . 55 . . . 5078 1 590 . 1 1 56 56 GLY N N 15 109.89 0.5 . 1 . . . . 55 . . . 5078 1 591 . 1 1 57 57 VAL H H 1 8.33 0.04 . 1 . . . . 56 . . . 5078 1 592 . 1 1 57 57 VAL HA H 1 4.80 0.04 . 1 . . . . 56 . . . 5078 1 593 . 1 1 57 57 VAL HB H 1 1.80 0.04 . 1 . . . . 56 . . . 5078 1 594 . 1 1 57 57 VAL HG11 H 1 0.92 0.04 . 2 . . . . 56 . . . 5078 1 595 . 1 1 57 57 VAL HG12 H 1 0.92 0.04 . 2 . . . . 56 . . . 5078 1 596 . 1 1 57 57 VAL HG13 H 1 0.92 0.04 . 2 . . . . 56 . . . 5078 1 597 . 1 1 57 57 VAL HG21 H 1 0.74 0.04 . 2 . . . . 56 . . . 5078 1 598 . 1 1 57 57 VAL HG22 H 1 0.74 0.04 . 2 . . . . 56 . . . 5078 1 599 . 1 1 57 57 VAL HG23 H 1 0.74 0.04 . 2 . . . . 56 . . . 5078 1 600 . 1 1 57 57 VAL C C 13 176.44 0.5 . 1 . . . . 56 . . . 5078 1 601 . 1 1 57 57 VAL CA C 13 59.47 0.5 . 1 . . . . 56 . . . 5078 1 602 . 1 1 57 57 VAL CB C 13 34.52 0.5 . 1 . . . . 56 . . . 5078 1 603 . 1 1 57 57 VAL CG1 C 13 20.52 0.5 . 2 . . . . 56 . . . 5078 1 604 . 1 1 57 57 VAL N N 15 119.73 0.5 . 1 . . . . 56 . . . 5078 1 605 . 1 1 58 58 ILE H H 1 9.20 0.04 . 1 . . . . 57 . . . 5078 1 606 . 1 1 58 58 ILE HA H 1 4.07 0.04 . 1 . . . . 57 . . . 5078 1 607 . 1 1 58 58 ILE HB H 1 2.41 0.04 . 1 . . . . 57 . . . 5078 1 608 . 1 1 58 58 ILE HG12 H 1 1.80 0.04 . 2 . . . . 57 . . . 5078 1 609 . 1 1 58 58 ILE HG13 H 1 1.24 0.04 . 2 . . . . 57 . . . 5078 1 610 . 1 1 58 58 ILE HG21 H 1 0.58 0.04 . 1 . . . . 57 . . . 5078 1 611 . 1 1 58 58 ILE HG22 H 1 0.58 0.04 . 1 . . . . 57 . . . 5078 1 612 . 1 1 58 58 ILE HG23 H 1 0.58 0.04 . 1 . . . . 57 . . . 5078 1 613 . 1 1 58 58 ILE HD11 H 1 0.70 0.04 . 1 . . . . 57 . . . 5078 1 614 . 1 1 58 58 ILE HD12 H 1 0.70 0.04 . 1 . . . . 57 . . . 5078 1 615 . 1 1 58 58 ILE HD13 H 1 0.70 0.04 . 1 . . . . 57 . . . 5078 1 616 . 1 1 58 58 ILE C C 13 176.26 0.5 . 1 . . . . 57 . . . 5078 1 617 . 1 1 58 58 ILE CA C 13 58.30 0.5 . 1 . . . . 57 . . . 5078 1 618 . 1 1 58 58 ILE CB C 13 34.24 0.5 . 1 . . . . 57 . . . 5078 1 619 . 1 1 58 58 ILE CG1 C 13 24.42 0.5 . 1 . . . . 57 . . . 5078 1 620 . 1 1 58 58 ILE CG2 C 13 16.77 0.5 . 1 . . . . 57 . . . 5078 1 621 . 1 1 58 58 ILE CD1 C 13 8.64 0.5 . 1 . . . . 57 . . . 5078 1 622 . 1 1 58 58 ILE N N 15 125.82 0.5 . 1 . . . . 57 . . . 5078 1 623 . 1 1 59 59 LYS H H 1 8.89 0.04 . 1 . . . . 58 . . . 5078 1 624 . 1 1 59 59 LYS HA H 1 4.57 0.04 . 1 . . . . 58 . . . 5078 1 625 . 1 1 59 59 LYS HB2 H 1 1.87 0.04 . 2 . . . . 58 . . . 5078 1 626 . 1 1 59 59 LYS HB3 H 1 1.43 0.04 . 2 . . . . 58 . . . 5078 1 627 . 1 1 59 59 LYS HG2 H 1 1.36 0.04 . 2 . . . . 58 . . . 5078 1 628 . 1 1 59 59 LYS HG3 H 1 1.28 0.04 . 2 . . . . 58 . . . 5078 1 629 . 1 1 59 59 LYS HD2 H 1 1.54 0.04 . 2 . . . . 58 . . . 5078 1 630 . 1 1 59 59 LYS HD3 H 1 1.67 0.04 . 2 . . . . 58 . . . 5078 1 631 . 1 1 59 59 LYS HE2 H 1 2.95 0.04 . 2 . . . . 58 . . . 5078 1 632 . 1 1 59 59 LYS HE3 H 1 2.76 0.04 . 2 . . . . 58 . . . 5078 1 633 . 1 1 59 59 LYS C C 13 175.85 0.5 . 1 . . . . 58 . . . 5078 1 634 . 1 1 59 59 LYS CA C 13 53.69 0.5 . 1 . . . . 58 . . . 5078 1 635 . 1 1 59 59 LYS CB C 13 32.52 0.5 . 1 . . . . 58 . . . 5078 1 636 . 1 1 59 59 LYS CG C 13 23.02 0.5 . 1 . . . . 58 . . . 5078 1 637 . 1 1 59 59 LYS CD C 13 25.99 0.5 . 1 . . . . 58 . . . 5078 1 638 . 1 1 59 59 LYS CE C 13 40.36 0.5 . 1 . . . . 58 . . . 5078 1 639 . 1 1 59 59 LYS N N 15 127.70 0.5 . 1 . . . . 58 . . . 5078 1 640 . 1 1 60 60 LYS H H 1 7.12 0.04 . 1 . . . . 59 . . . 5078 1 641 . 1 1 60 60 LYS HA H 1 4.32 0.04 . 1 . . . . 59 . . . 5078 1 642 . 1 1 60 60 LYS HB2 H 1 1.71 0.04 . 2 . . . . 59 . . . 5078 1 643 . 1 1 60 60 LYS HB3 H 1 1.28 0.04 . 2 . . . . 59 . . . 5078 1 644 . 1 1 60 60 LYS HG2 H 1 0.94 0.04 . 2 . . . . 59 . . . 5078 1 645 . 1 1 60 60 LYS HG3 H 1 0.23 0.04 . 2 . . . . 59 . . . 5078 1 646 . 1 1 60 60 LYS HD2 H 1 1.15 0.04 . 2 . . . . 59 . . . 5078 1 647 . 1 1 60 60 LYS HE2 H 1 2.12 0.04 . 2 . . . . 59 . . . 5078 1 648 . 1 1 60 60 LYS HE3 H 1 2.00 0.04 . 2 . . . . 59 . . . 5078 1 649 . 1 1 60 60 LYS C C 13 173.80 0.5 . 1 . . . . 59 . . . 5078 1 650 . 1 1 60 60 LYS CA C 13 55.46 0.5 . 1 . . . . 59 . . . 5078 1 651 . 1 1 60 60 LYS CB C 13 35.96 0.5 . 1 . . . . 59 . . . 5078 1 652 . 1 1 60 60 LYS CG C 13 23.80 0.5 . 1 . . . . 59 . . . 5078 1 653 . 1 1 60 60 LYS CD C 13 27.70 0.5 . 1 . . . . 59 . . . 5078 1 654 . 1 1 60 60 LYS CE C 13 40.83 0.5 . 1 . . . . 59 . . . 5078 1 655 . 1 1 60 60 LYS N N 15 116.45 0.5 . 1 . . . . 59 . . . 5078 1 656 . 1 1 61 61 LEU H H 1 8.83 0.04 . 1 . . . . 60 . . . 5078 1 657 . 1 1 61 61 LEU HA H 1 4.52 0.04 . 1 . . . . 60 . . . 5078 1 658 . 1 1 61 61 LEU HB2 H 1 1.29 0.04 . 2 . . . . 60 . . . 5078 1 659 . 1 1 61 61 LEU HB3 H 1 0.80 0.04 . 2 . . . . 60 . . . 5078 1 660 . 1 1 61 61 LEU HG H 1 0.66 0.04 . 1 . . . . 60 . . . 5078 1 661 . 1 1 61 61 LEU HD11 H 1 0.02 0.04 . 2 . . . . 60 . . . 5078 1 662 . 1 1 61 61 LEU HD12 H 1 0.02 0.04 . 2 . . . . 60 . . . 5078 1 663 . 1 1 61 61 LEU HD13 H 1 0.02 0.04 . 2 . . . . 60 . . . 5078 1 664 . 1 1 61 61 LEU HD21 H 1 -0.31 0.04 . 2 . . . . 60 . . . 5078 1 665 . 1 1 61 61 LEU HD22 H 1 -0.31 0.04 . 2 . . . . 60 . . . 5078 1 666 . 1 1 61 61 LEU HD23 H 1 -0.31 0.04 . 2 . . . . 60 . . . 5078 1 667 . 1 1 61 61 LEU C C 13 177.79 0.5 . 1 . . . . 60 . . . 5078 1 668 . 1 1 61 61 LEU CA C 13 53.28 0.5 . 1 . . . . 60 . . . 5078 1 669 . 1 1 61 61 LEU CB C 13 40.96 0.5 . 1 . . . . 60 . . . 5078 1 670 . 1 1 61 61 LEU CG C 13 26.45 0.5 . 1 . . . . 60 . . . 5078 1 671 . 1 1 61 61 LEU CD1 C 13 22.70 0.5 . 2 . . . . 60 . . . 5078 1 672 . 1 1 61 61 LEU CD2 C 13 26.61 0.5 . 2 . . . . 60 . . . 5078 1 673 . 1 1 61 61 LEU N N 15 126.29 0.5 . 1 . . . . 60 . . . 5078 1 674 . 1 1 62 62 TYR H H 1 8.06 0.04 . 1 . . . . 61 . . . 5078 1 675 . 1 1 62 62 TYR HA H 1 3.82 0.04 . 1 . . . . 61 . . . 5078 1 676 . 1 1 62 62 TYR HB2 H 1 2.66 0.04 . 2 . . . . 61 . . . 5078 1 677 . 1 1 62 62 TYR HB3 H 1 2.40 0.04 . 2 . . . . 61 . . . 5078 1 678 . 1 1 62 62 TYR C C 13 173.98 0.5 . 1 . . . . 61 . . . 5078 1 679 . 1 1 62 62 TYR CA C 13 60.41 0.5 . 1 . . . . 61 . . . 5078 1 680 . 1 1 62 62 TYR CB C 13 37.29 0.5 . 1 . . . . 61 . . . 5078 1 681 . 1 1 62 62 TYR N N 15 117.86 0.5 . 1 . . . . 61 . . . 5078 1 682 . 1 1 63 63 TYR H H 1 7.04 0.04 . 1 . . . . 62 . . . 5078 1 683 . 1 1 63 63 TYR HA H 1 5.12 0.04 . 1 . . . . 62 . . . 5078 1 684 . 1 1 63 63 TYR HB2 H 1 3.67 0.04 . 2 . . . . 62 . . . 5078 1 685 . 1 1 63 63 TYR HB3 H 1 2.65 0.04 . 2 . . . . 62 . . . 5078 1 686 . 1 1 63 63 TYR C C 13 175.62 0.5 . 1 . . . . 62 . . . 5078 1 687 . 1 1 63 63 TYR CA C 13 55.80 0.5 . 1 . . . . 62 . . . 5078 1 688 . 1 1 63 63 TYR CB C 13 43.77 0.5 . 1 . . . . 62 . . . 5078 1 689 . 1 1 63 63 TYR N N 15 110.82 0.5 . 1 . . . . 62 . . . 5078 1 690 . 1 1 64 64 ASN H H 1 9.66 0.04 . 1 . . . . 63 . . . 5078 1 691 . 1 1 64 64 ASN HA H 1 5.12 0.04 . 1 . . . . 63 . . . 5078 1 692 . 1 1 64 64 ASN HB2 H 1 2.92 0.04 . 2 . . . . 63 . . . 5078 1 693 . 1 1 64 64 ASN HB3 H 1 2.79 0.04 . 2 . . . . 63 . . . 5078 1 694 . 1 1 64 64 ASN HD21 H 1 7.98 0.04 . 1 . . . . 63 . . . 5078 1 695 . 1 1 64 64 ASN HD22 H 1 6.96 0.04 . 1 . . . . 63 . . . 5078 1 696 . 1 1 64 64 ASN C C 13 175.15 0.5 . 1 . . . . 63 . . . 5078 1 697 . 1 1 64 64 ASN CA C 13 50.49 0.5 . 1 . . . . 63 . . . 5078 1 698 . 1 1 64 64 ASN CB C 13 39.71 0.5 . 1 . . . . 63 . . . 5078 1 699 . 1 1 64 64 ASN N N 15 121.61 0.5 . 1 . . . . 63 . . . 5078 1 700 . 1 1 64 64 ASN ND2 N 15 114.10 0.5 . 1 . . . . 63 . . . 5078 1 701 . 1 1 65 65 LEU H H 1 8.39 0.04 . 1 . . . . 64 . . . 5078 1 702 . 1 1 65 65 LEU HA H 1 3.74 0.04 . 1 . . . . 64 . . . 5078 1 703 . 1 1 65 65 LEU HB2 H 1 1.68 0.04 . 2 . . . . 64 . . . 5078 1 704 . 1 1 65 65 LEU HB3 H 1 1.43 0.04 . 2 . . . . 64 . . . 5078 1 705 . 1 1 65 65 LEU HG H 1 1.84 0.04 . 1 . . . . 64 . . . 5078 1 706 . 1 1 65 65 LEU HD11 H 1 1.00 0.04 . 2 . . . . 64 . . . 5078 1 707 . 1 1 65 65 LEU HD12 H 1 1.00 0.04 . 2 . . . . 64 . . . 5078 1 708 . 1 1 65 65 LEU HD13 H 1 1.00 0.04 . 2 . . . . 64 . . . 5078 1 709 . 1 1 65 65 LEU HD21 H 1 0.83 0.04 . 2 . . . . 64 . . . 5078 1 710 . 1 1 65 65 LEU HD22 H 1 0.83 0.04 . 2 . . . . 64 . . . 5078 1 711 . 1 1 65 65 LEU HD23 H 1 0.83 0.04 . 2 . . . . 64 . . . 5078 1 712 . 1 1 65 65 LEU C C 13 177.61 0.5 . 1 . . . . 64 . . . 5078 1 713 . 1 1 65 65 LEU CA C 13 56.09 0.5 . 1 . . . . 64 . . . 5078 1 714 . 1 1 65 65 LEU CB C 13 40.41 0.5 . 1 . . . . 64 . . . 5078 1 715 . 1 1 65 65 LEU CG C 13 25.67 0.5 . 1 . . . . 64 . . . 5078 1 716 . 1 1 65 65 LEU CD1 C 13 22.70 0.5 . 2 . . . . 64 . . . 5078 1 717 . 1 1 65 65 LEU CD2 C 13 24.27 0.5 . 2 . . . . 64 . . . 5078 1 718 . 1 1 65 65 LEU N N 15 117.86 0.5 . 1 . . . . 64 . . . 5078 1 719 . 1 1 66 66 ASP H H 1 9.04 0.04 . 1 . . . . 65 . . . 5078 1 720 . 1 1 66 66 ASP HA H 1 4.11 0.04 . 1 . . . . 65 . . . 5078 1 721 . 1 1 66 66 ASP HB2 H 1 3.00 0.04 . 2 . . . . 65 . . . 5078 1 722 . 1 1 66 66 ASP HB3 H 1 2.83 0.04 . 2 . . . . 65 . . . 5078 1 723 . 1 1 66 66 ASP C C 13 175.27 0.5 . 1 . . . . 65 . . . 5078 1 724 . 1 1 66 66 ASP CA C 13 56.04 0.5 . 1 . . . . 65 . . . 5078 1 725 . 1 1 66 66 ASP CB C 13 38.22 0.5 . 1 . . . . 65 . . . 5078 1 726 . 1 1 66 66 ASP N N 15 116.92 0.5 . 1 . . . . 65 . . . 5078 1 727 . 1 1 67 67 ASP H H 1 7.65 0.04 . 1 . . . . 66 . . . 5078 1 728 . 1 1 67 67 ASP HA H 1 4.71 0.04 . 1 . . . . 66 . . . 5078 1 729 . 1 1 67 67 ASP HB2 H 1 3.16 0.04 . 2 . . . . 66 . . . 5078 1 730 . 1 1 67 67 ASP HB3 H 1 2.85 0.04 . 2 . . . . 66 . . . 5078 1 731 . 1 1 67 67 ASP C C 13 175.27 0.5 . 1 . . . . 66 . . . 5078 1 732 . 1 1 67 67 ASP CA C 13 53.54 0.5 . 1 . . . . 66 . . . 5078 1 733 . 1 1 67 67 ASP CB C 13 41.58 0.5 . 1 . . . . 66 . . . 5078 1 734 . 1 1 67 67 ASP N N 15 118.79 0.5 . 1 . . . . 66 . . . 5078 1 735 . 1 1 68 68 ILE H H 1 7.89 0.04 . 1 . . . . 67 . . . 5078 1 736 . 1 1 68 68 ILE HA H 1 4.29 0.04 . 1 . . . . 67 . . . 5078 1 737 . 1 1 68 68 ILE HB H 1 1.58 0.04 . 1 . . . . 67 . . . 5078 1 738 . 1 1 68 68 ILE HG12 H 1 1.42 0.04 . 2 . . . . 67 . . . 5078 1 739 . 1 1 68 68 ILE HG13 H 1 1.13 0.04 . 2 . . . . 67 . . . 5078 1 740 . 1 1 68 68 ILE HG21 H 1 0.34 0.04 . 1 . . . . 67 . . . 5078 1 741 . 1 1 68 68 ILE HG22 H 1 0.34 0.04 . 1 . . . . 67 . . . 5078 1 742 . 1 1 68 68 ILE HG23 H 1 0.34 0.04 . 1 . . . . 67 . . . 5078 1 743 . 1 1 68 68 ILE HD11 H 1 0.69 0.04 . 1 . . . . 67 . . . 5078 1 744 . 1 1 68 68 ILE HD12 H 1 0.69 0.04 . 1 . . . . 67 . . . 5078 1 745 . 1 1 68 68 ILE HD13 H 1 0.69 0.04 . 1 . . . . 67 . . . 5078 1 746 . 1 1 68 68 ILE C C 13 174.04 0.5 . 1 . . . . 67 . . . 5078 1 747 . 1 1 68 68 ILE CA C 13 58.54 0.5 . 1 . . . . 67 . . . 5078 1 748 . 1 1 68 68 ILE CB C 13 36.90 0.5 . 1 . . . . 67 . . . 5078 1 749 . 1 1 68 68 ILE CG1 C 13 26.61 0.5 . 1 . . . . 67 . . . 5078 1 750 . 1 1 68 68 ILE CG2 C 13 16.61 0.5 . 1 . . . . 67 . . . 5078 1 751 . 1 1 68 68 ILE CD1 C 13 10.99 0.5 . 1 . . . . 67 . . . 5078 1 752 . 1 1 68 68 ILE N N 15 118.79 0.5 . 1 . . . . 67 . . . 5078 1 753 . 1 1 69 69 ALA H H 1 8.66 0.04 . 1 . . . . 68 . . . 5078 1 754 . 1 1 69 69 ALA HA H 1 4.02 0.04 . 1 . . . . 68 . . . 5078 1 755 . 1 1 69 69 ALA HB1 H 1 0.15 0.04 . 1 . . . . 68 . . . 5078 1 756 . 1 1 69 69 ALA HB2 H 1 0.15 0.04 . 1 . . . . 68 . . . 5078 1 757 . 1 1 69 69 ALA HB3 H 1 0.15 0.04 . 1 . . . . 68 . . . 5078 1 758 . 1 1 69 69 ALA C C 13 175.79 0.5 . 1 . . . . 68 . . . 5078 1 759 . 1 1 69 69 ALA CA C 13 48.93 0.5 . 1 . . . . 68 . . . 5078 1 760 . 1 1 69 69 ALA CB C 13 19.79 0.5 . 1 . . . . 68 . . . 5078 1 761 . 1 1 69 69 ALA N N 15 126.76 0.5 . 1 . . . . 68 . . . 5078 1 762 . 1 1 70 70 TYR H H 1 6.49 0.04 . 1 . . . . 69 . . . 5078 1 763 . 1 1 70 70 TYR HA H 1 4.93 0.04 . 1 . . . . 69 . . . 5078 1 764 . 1 1 70 70 TYR HB2 H 1 3.11 0.04 . 2 . . . . 69 . . . 5078 1 765 . 1 1 70 70 TYR HB3 H 1 2.45 0.04 . 2 . . . . 69 . . . 5078 1 766 . 1 1 70 70 TYR C C 13 177.49 0.5 . 1 . . . . 69 . . . 5078 1 767 . 1 1 70 70 TYR CA C 13 55.80 0.5 . 1 . . . . 69 . . . 5078 1 768 . 1 1 70 70 TYR CB C 13 39.47 0.5 . 1 . . . . 69 . . . 5078 1 769 . 1 1 70 70 TYR N N 15 115.51 0.5 . 1 . . . . 69 . . . 5078 1 770 . 1 1 71 71 VAL H H 1 8.36 0.04 . 1 . . . . 70 . . . 5078 1 771 . 1 1 71 71 VAL HA H 1 3.38 0.04 . 1 . . . . 70 . . . 5078 1 772 . 1 1 71 71 VAL HB H 1 1.93 0.04 . 1 . . . . 70 . . . 5078 1 773 . 1 1 71 71 VAL HG11 H 1 0.95 0.04 . 2 . . . . 70 . . . 5078 1 774 . 1 1 71 71 VAL HG12 H 1 0.95 0.04 . 2 . . . . 70 . . . 5078 1 775 . 1 1 71 71 VAL HG13 H 1 0.95 0.04 . 2 . . . . 70 . . . 5078 1 776 . 1 1 71 71 VAL HG21 H 1 0.85 0.04 . 2 . . . . 70 . . . 5078 1 777 . 1 1 71 71 VAL HG22 H 1 0.85 0.04 . 2 . . . . 70 . . . 5078 1 778 . 1 1 71 71 VAL HG23 H 1 0.85 0.04 . 2 . . . . 70 . . . 5078 1 779 . 1 1 71 71 VAL C C 13 176.67 0.5 . 1 . . . . 70 . . . 5078 1 780 . 1 1 71 71 VAL CA C 13 64.01 0.5 . 1 . . . . 70 . . . 5078 1 781 . 1 1 71 71 VAL CB C 13 31.09 0.5 . 1 . . . . 70 . . . 5078 1 782 . 1 1 71 71 VAL CG1 C 13 20.67 0.5 . 2 . . . . 70 . . . 5078 1 783 . 1 1 71 71 VAL CG2 C 13 19.74 0.5 . 2 . . . . 70 . . . 5078 1 784 . 1 1 71 71 VAL N N 15 126.29 0.5 . 1 . . . . 70 . . . 5078 1 785 . 1 1 72 72 GLY H H 1 9.26 0.04 . 1 . . . . 71 . . . 5078 1 786 . 1 1 72 72 GLY HA2 H 1 4.39 0.04 . 2 . . . . 71 . . . 5078 1 787 . 1 1 72 72 GLY HA3 H 1 3.68 0.04 . 2 . . . . 71 . . . 5078 1 788 . 1 1 72 72 GLY C C 13 173.51 0.5 . 1 . . . . 71 . . . 5078 1 789 . 1 1 72 72 GLY CA C 13 43.85 0.5 . 1 . . . . 71 . . . 5078 1 790 . 1 1 72 72 GLY N N 15 114.57 0.5 . 1 . . . . 71 . . . 5078 1 791 . 1 1 73 73 LYS H H 1 7.52 0.04 . 1 . . . . 72 . . . 5078 1 792 . 1 1 73 73 LYS HA H 1 4.89 0.04 . 1 . . . . 72 . . . 5078 1 793 . 1 1 73 73 LYS HB2 H 1 2.02 0.04 . 2 . . . . 72 . . . 5078 1 794 . 1 1 73 73 LYS HB3 H 1 1.73 0.04 . 2 . . . . 72 . . . 5078 1 795 . 1 1 73 73 LYS HE2 H 1 2.91 0.04 . 2 . . . . 72 . . . 5078 1 796 . 1 1 73 73 LYS HE3 H 1 2.93 0.04 . 2 . . . . 72 . . . 5078 1 797 . 1 1 73 73 LYS C C 13 175.44 0.5 . 1 . . . . 72 . . . 5078 1 798 . 1 1 73 73 LYS CA C 13 52.03 0.5 . 1 . . . . 72 . . . 5078 1 799 . 1 1 73 73 LYS CB C 13 31.09 0.5 . 1 . . . . 72 . . . 5078 1 800 . 1 1 73 73 LYS CG C 13 24.42 0.5 . 1 . . . . 72 . . . 5078 1 801 . 1 1 73 73 LYS CD C 13 27.55 0.5 . 1 . . . . 72 . . . 5078 1 802 . 1 1 73 73 LYS CE C 13 41.30 0.5 . 1 . . . . 72 . . . 5078 1 803 . 1 1 73 73 LYS N N 15 117.39 0.5 . 1 . . . . 72 . . . 5078 1 804 . 1 1 74 74 PRO HA H 1 3.74 0.04 . 1 . . . . 73 . . . 5078 1 805 . 1 1 74 74 PRO HB2 H 1 1.16 0.04 . 2 . . . . 73 . . . 5078 1 806 . 1 1 74 74 PRO HB3 H 1 0.31 0.04 . 2 . . . . 73 . . . 5078 1 807 . 1 1 74 74 PRO HG2 H 1 1.42 0.04 . 2 . . . . 73 . . . 5078 1 808 . 1 1 74 74 PRO HG3 H 1 1.76 0.04 . 2 . . . . 73 . . . 5078 1 809 . 1 1 74 74 PRO HD2 H 1 3.73 0.04 . 2 . . . . 73 . . . 5078 1 810 . 1 1 74 74 PRO HD3 H 1 3.46 0.04 . 1 . . . . 73 . . . 5078 1 811 . 1 1 74 74 PRO C C 13 173.51 0.5 . 1 . . . . 73 . . . 5078 1 812 . 1 1 74 74 PRO CA C 13 63.38 0.5 . 1 . . . . 73 . . . 5078 1 813 . 1 1 74 74 PRO CB C 13 30.33 0.5 . 1 . . . . 73 . . . 5078 1 814 . 1 1 74 74 PRO CG C 13 26.92 0.5 . 1 . . . . 73 . . . 5078 1 815 . 1 1 74 74 PRO CD C 13 49.89 0.5 . 1 . . . . 73 . . . 5078 1 816 . 1 1 75 75 LEU H H 1 9.20 0.04 . 1 . . . . 74 . . . 5078 1 817 . 1 1 75 75 LEU HA H 1 4.89 0.04 . 1 . . . . 74 . . . 5078 1 818 . 1 1 75 75 LEU HB2 H 1 1.96 0.04 . 2 . . . . 74 . . . 5078 1 819 . 1 1 75 75 LEU HB3 H 1 1.63 0.04 . 2 . . . . 74 . . . 5078 1 820 . 1 1 75 75 LEU HD11 H 1 0.96 0.04 . 2 . . . . 74 . . . 5078 1 821 . 1 1 75 75 LEU HD12 H 1 0.96 0.04 . 2 . . . . 74 . . . 5078 1 822 . 1 1 75 75 LEU HD13 H 1 0.96 0.04 . 2 . . . . 74 . . . 5078 1 823 . 1 1 75 75 LEU HD21 H 1 0.94 0.04 . 2 . . . . 74 . . . 5078 1 824 . 1 1 75 75 LEU HD22 H 1 0.94 0.04 . 2 . . . . 74 . . . 5078 1 825 . 1 1 75 75 LEU HD23 H 1 0.94 0.04 . 2 . . . . 74 . . . 5078 1 826 . 1 1 75 75 LEU C C 13 176.73 0.5 . 1 . . . . 74 . . . 5078 1 827 . 1 1 75 75 LEU CA C 13 56.04 0.5 . 1 . . . . 74 . . . 5078 1 828 . 1 1 75 75 LEU CB C 13 45.80 0.5 . 1 . . . . 74 . . . 5078 1 829 . 1 1 75 75 LEU CG C 13 26.14 0.5 . 1 . . . . 74 . . . 5078 1 830 . 1 1 75 75 LEU CD1 C 13 24.42 0.5 . 2 . . . . 74 . . . 5078 1 831 . 1 1 75 75 LEU CD2 C 13 24.11 0.5 . 2 . . . . 74 . . . 5078 1 832 . 1 1 75 75 LEU N N 15 121.14 0.5 . 1 . . . . 74 . . . 5078 1 833 . 1 1 76 76 VAL H H 1 7.61 0.04 . 1 . . . . 75 . . . 5078 1 834 . 1 1 76 76 VAL HA H 1 5.60 0.04 . 1 . . . . 75 . . . 5078 1 835 . 1 1 76 76 VAL HB H 1 2.46 0.04 . 1 . . . . 75 . . . 5078 1 836 . 1 1 76 76 VAL HG11 H 1 1.26 0.04 . 2 . . . . 75 . . . 5078 1 837 . 1 1 76 76 VAL HG12 H 1 1.26 0.04 . 2 . . . . 75 . . . 5078 1 838 . 1 1 76 76 VAL HG13 H 1 1.26 0.04 . 2 . . . . 75 . . . 5078 1 839 . 1 1 76 76 VAL HG21 H 1 1.07 0.04 . 2 . . . . 75 . . . 5078 1 840 . 1 1 76 76 VAL HG22 H 1 1.07 0.04 . 2 . . . . 75 . . . 5078 1 841 . 1 1 76 76 VAL HG23 H 1 1.07 0.04 . 2 . . . . 75 . . . 5078 1 842 . 1 1 76 76 VAL C C 13 174.62 0.5 . 1 . . . . 75 . . . 5078 1 843 . 1 1 76 76 VAL CA C 13 57.68 0.5 . 1 . . . . 75 . . . 5078 1 844 . 1 1 76 76 VAL CB C 13 35.77 0.5 . 1 . . . . 75 . . . 5078 1 845 . 1 1 76 76 VAL CG1 C 13 24.11 0.5 . 2 . . . . 75 . . . 5078 1 846 . 1 1 76 76 VAL CG2 C 13 20.20 0.5 . 2 . . . . 75 . . . 5078 1 847 . 1 1 76 76 VAL N N 15 106.60 0.5 . 1 . . . . 75 . . . 5078 1 848 . 1 1 77 77 ASP H H 1 8.42 0.04 . 1 . . . . 76 . . . 5078 1 849 . 1 1 77 77 ASP HA H 1 5.88 0.04 . 1 . . . . 76 . . . 5078 1 850 . 1 1 77 77 ASP HB2 H 1 2.46 0.04 . 2 . . . . 76 . . . 5078 1 851 . 1 1 77 77 ASP HB3 H 1 2.27 0.04 . 2 . . . . 76 . . . 5078 1 852 . 1 1 77 77 ASP C C 13 176.56 0.5 . 1 . . . . 76 . . . 5078 1 853 . 1 1 77 77 ASP CA C 13 52.29 0.5 . 1 . . . . 76 . . . 5078 1 854 . 1 1 77 77 ASP CB C 13 41.97 0.5 . 1 . . . . 76 . . . 5078 1 855 . 1 1 77 77 ASP N N 15 120.67 0.5 . 1 . . . . 76 . . . 5078 1 856 . 1 1 78 78 ILE H H 1 9.30 0.04 . 1 . . . . 77 . . . 5078 1 857 . 1 1 78 78 ILE HA H 1 4.80 0.04 . 1 . . . . 77 . . . 5078 1 858 . 1 1 78 78 ILE HB H 1 1.33 0.04 . 1 . . . . 77 . . . 5078 1 859 . 1 1 78 78 ILE HG12 H 1 1.48 0.04 . 2 . . . . 77 . . . 5078 1 860 . 1 1 78 78 ILE HG13 H 1 0.67 0.04 . 2 . . . . 77 . . . 5078 1 861 . 1 1 78 78 ILE HG21 H 1 0.46 0.04 . 1 . . . . 77 . . . 5078 1 862 . 1 1 78 78 ILE HG22 H 1 0.46 0.04 . 1 . . . . 77 . . . 5078 1 863 . 1 1 78 78 ILE HG23 H 1 0.46 0.04 . 1 . . . . 77 . . . 5078 1 864 . 1 1 78 78 ILE HD11 H 1 0.54 0.04 . 1 . . . . 77 . . . 5078 1 865 . 1 1 78 78 ILE HD12 H 1 0.54 0.04 . 1 . . . . 77 . . . 5078 1 866 . 1 1 78 78 ILE HD13 H 1 0.54 0.04 . 1 . . . . 77 . . . 5078 1 867 . 1 1 78 78 ILE C C 13 173.74 0.5 . 1 . . . . 77 . . . 5078 1 868 . 1 1 78 78 ILE CA C 13 58.62 0.5 . 1 . . . . 77 . . . 5078 1 869 . 1 1 78 78 ILE CB C 13 40.88 0.5 . 1 . . . . 77 . . . 5078 1 870 . 1 1 78 78 ILE CG1 C 13 27.55 0.5 . 1 . . . . 77 . . . 5078 1 871 . 1 1 78 78 ILE CG2 C 13 15.20 0.5 . 1 . . . . 77 . . . 5078 1 872 . 1 1 78 78 ILE CD1 C 13 13.17 0.5 . 1 . . . . 77 . . . 5078 1 873 . 1 1 78 78 ILE N N 15 122.54 0.5 . 1 . . . . 77 . . . 5078 1 874 . 1 1 79 79 GLU H H 1 9.55 0.04 . 1 . . . . 78 . . . 5078 1 875 . 1 1 79 79 GLU HA H 1 4.85 0.04 . 1 . . . . 78 . . . 5078 1 876 . 1 1 79 79 GLU HB2 H 1 1.97 0.04 . 2 . . . . 78 . . . 5078 1 877 . 1 1 79 79 GLU HB3 H 1 1.70 0.04 . 2 . . . . 78 . . . 5078 1 878 . 1 1 79 79 GLU HG2 H 1 1.82 0.04 . 2 . . . . 78 . . . 5078 1 879 . 1 1 79 79 GLU C C 13 175.74 0.5 . 1 . . . . 78 . . . 5078 1 880 . 1 1 79 79 GLU CA C 13 54.21 0.5 . 1 . . . . 78 . . . 5078 1 881 . 1 1 79 79 GLU CB C 13 30.41 0.5 . 1 . . . . 78 . . . 5078 1 882 . 1 1 79 79 GLU CG C 13 35.21 0.5 . 1 . . . . 78 . . . 5078 1 883 . 1 1 79 79 GLU N N 15 129.11 0.5 . 1 . . . . 78 . . . 5078 1 884 . 1 1 80 80 THR H H 1 8.89 0.04 . 1 . . . . 79 . . . 5078 1 885 . 1 1 80 80 THR HA H 1 4.91 0.04 . 1 . . . . 79 . . . 5078 1 886 . 1 1 80 80 THR HB H 1 4.15 0.04 . 1 . . . . 79 . . . 5078 1 887 . 1 1 80 80 THR HG21 H 1 1.00 0.04 . 1 . . . . 79 . . . 5078 1 888 . 1 1 80 80 THR HG22 H 1 1.00 0.04 . 1 . . . . 79 . . . 5078 1 889 . 1 1 80 80 THR HG23 H 1 1.00 0.04 . 1 . . . . 79 . . . 5078 1 890 . 1 1 80 80 THR C C 13 173.16 0.5 . 1 . . . . 79 . . . 5078 1 891 . 1 1 80 80 THR CA C 13 59.24 0.5 . 1 . . . . 79 . . . 5078 1 892 . 1 1 80 80 THR CB C 13 69.94 0.5 . 1 . . . . 79 . . . 5078 1 893 . 1 1 80 80 THR CG2 C 13 19.27 0.5 . 1 . . . . 79 . . . 5078 1 894 . 1 1 80 80 THR N N 15 122.07 0.5 . 1 . . . . 79 . . . 5078 1 895 . 1 1 81 81 GLU H H 1 8.64 0.04 . 1 . . . . 80 . . . 5078 1 896 . 1 1 81 81 GLU HA H 1 4.41 0.04 . 1 . . . . 80 . . . 5078 1 897 . 1 1 81 81 GLU HB2 H 1 2.12 0.04 . 2 . . . . 80 . . . 5078 1 898 . 1 1 81 81 GLU HB3 H 1 1.87 0.04 . 2 . . . . 80 . . . 5078 1 899 . 1 1 81 81 GLU HG2 H 1 1.88 0.04 . 2 . . . . 80 . . . 5078 1 900 . 1 1 81 81 GLU HG3 H 1 2.28 0.04 . 2 . . . . 80 . . . 5078 1 901 . 1 1 81 81 GLU C C 13 176.38 0.5 . 1 . . . . 80 . . . 5078 1 902 . 1 1 81 81 GLU CA C 13 55.18 0.5 . 1 . . . . 80 . . . 5078 1 903 . 1 1 81 81 GLU CB C 13 30.10 0.5 . 1 . . . . 80 . . . 5078 1 904 . 1 1 81 81 GLU CG C 13 35.05 0.5 . 1 . . . . 80 . . . 5078 1 905 . 1 1 81 81 GLU N N 15 122.07 0.5 . 1 . . . . 80 . . . 5078 1 906 . 1 1 82 82 ALA H H 1 8.32 0.04 . 1 . . . . 81 . . . 5078 1 907 . 1 1 82 82 ALA HA H 1 4.30 0.04 . 1 . . . . 81 . . . 5078 1 908 . 1 1 82 82 ALA HB1 H 1 1.37 0.04 . 1 . . . . 81 . . . 5078 1 909 . 1 1 82 82 ALA HB2 H 1 1.37 0.04 . 1 . . . . 81 . . . 5078 1 910 . 1 1 82 82 ALA HB3 H 1 1.37 0.04 . 1 . . . . 81 . . . 5078 1 911 . 1 1 82 82 ALA C C 13 177.20 0.5 . 1 . . . . 81 . . . 5078 1 912 . 1 1 82 82 ALA CA C 13 51.66 0.5 . 1 . . . . 81 . . . 5078 1 913 . 1 1 82 82 ALA CB C 13 18.61 0.5 . 1 . . . . 81 . . . 5078 1 914 . 1 1 82 82 ALA N N 15 123.95 0.5 . 1 . . . . 81 . . . 5078 1 915 . 1 1 83 83 LEU H H 1 8.15 0.04 . 1 . . . . 82 . . . 5078 1 916 . 1 1 83 83 LEU HA H 1 4.31 0.04 . 1 . . . . 82 . . . 5078 1 917 . 1 1 83 83 LEU HB2 H 1 1.57 0.04 . 2 . . . . 82 . . . 5078 1 918 . 1 1 83 83 LEU HB3 H 1 1.42 0.04 . 2 . . . . 82 . . . 5078 1 919 . 1 1 83 83 LEU HG H 1 1.11 0.04 . 1 . . . . 82 . . . 5078 1 920 . 1 1 83 83 LEU HD11 H 1 0.68 0.04 . 2 . . . . 82 . . . 5078 1 921 . 1 1 83 83 LEU HD12 H 1 0.68 0.04 . 2 . . . . 82 . . . 5078 1 922 . 1 1 83 83 LEU HD13 H 1 0.68 0.04 . 2 . . . . 82 . . . 5078 1 923 . 1 1 83 83 LEU HD21 H 1 0.33 0.04 . 2 . . . . 82 . . . 5078 1 924 . 1 1 83 83 LEU HD22 H 1 0.33 0.04 . 2 . . . . 82 . . . 5078 1 925 . 1 1 83 83 LEU HD23 H 1 0.33 0.04 . 2 . . . . 82 . . . 5078 1 926 . 1 1 83 83 LEU C C 13 176.26 0.5 . 1 . . . . 82 . . . 5078 1 927 . 1 1 83 83 LEU CA C 13 54.50 0.5 . 1 . . . . 82 . . . 5078 1 928 . 1 1 83 83 LEU CB C 13 41.49 0.5 . 1 . . . . 82 . . . 5078 1 929 . 1 1 83 83 LEU CG C 13 26.14 0.5 . 1 . . . . 82 . . . 5078 1 930 . 1 1 83 83 LEU CD1 C 13 23.95 0.5 . 2 . . . . 82 . . . 5078 1 931 . 1 1 83 83 LEU CD2 C 13 22.55 0.5 . 2 . . . . 82 . . . 5078 1 932 . 1 1 83 83 LEU N N 15 120.20 0.5 . 1 . . . . 82 . . . 5078 1 933 . 1 1 84 84 LYS H H 1 7.73 0.04 . 1 . . . . 83 . . . 5078 1 934 . 1 1 84 84 LYS C C 13 181.01 0.5 . 1 . . . . 83 . . . 5078 1 935 . 1 1 84 84 LYS CA C 13 56.40 0.5 . 1 . . . . 83 . . . 5078 1 936 . 1 1 84 84 LYS CB C 13 32.96 0.5 . 1 . . . . 83 . . . 5078 1 937 . 1 1 84 84 LYS N N 15 125.82 0.5 . 1 . . . . 83 . . . 5078 1 938 . 1 1 85 85 ASP H H 1 8.16 0.04 . 1 . . . . 84 . . . 5078 1 939 . 1 1 85 85 ASP HA H 1 4.29 0.04 . 1 . . . . 84 . . . 5078 1 940 . 1 1 85 85 ASP HB2 H 1 2.71 0.04 . 2 . . . . 84 . . . 5078 1 941 . 1 1 85 85 ASP HB3 H 1 2.60 0.04 . 2 . . . . 84 . . . 5078 1 942 . 1 1 85 85 ASP C C 13 176.15 0.5 . 1 . . . . 84 . . . 5078 1 943 . 1 1 85 85 ASP CA C 13 53.69 0.5 . 1 . . . . 84 . . . 5078 1 944 . 1 1 85 85 ASP CB C 13 40.10 0.5 . 1 . . . . 84 . . . 5078 1 945 . 1 1 85 85 ASP N N 15 120.20 0.5 . 1 . . . . 84 . . . 5078 1 946 . 1 1 86 86 LEU H H 1 8.05 0.04 . 1 . . . . 85 . . . 5078 1 947 . 1 1 86 86 LEU HA H 1 4.24 0.04 . 1 . . . . 85 . . . 5078 1 948 . 1 1 86 86 LEU HB2 H 1 1.55 0.04 . 2 . . . . 85 . . . 5078 1 949 . 1 1 86 86 LEU HD11 H 1 0.85 0.04 . 2 . . . . 85 . . . 5078 1 950 . 1 1 86 86 LEU HD12 H 1 0.85 0.04 . 2 . . . . 85 . . . 5078 1 951 . 1 1 86 86 LEU HD13 H 1 0.85 0.04 . 2 . . . . 85 . . . 5078 1 952 . 1 1 86 86 LEU HD21 H 1 0.81 0.04 . 2 . . . . 85 . . . 5078 1 953 . 1 1 86 86 LEU HD22 H 1 0.81 0.04 . 2 . . . . 85 . . . 5078 1 954 . 1 1 86 86 LEU HD23 H 1 0.81 0.04 . 2 . . . . 85 . . . 5078 1 955 . 1 1 86 86 LEU C C 13 177.49 0.5 . 1 . . . . 85 . . . 5078 1 956 . 1 1 86 86 LEU CA C 13 54.53 0.5 . 1 . . . . 85 . . . 5078 1 957 . 1 1 86 86 LEU CB C 13 41.35 0.5 . 1 . . . . 85 . . . 5078 1 958 . 1 1 86 86 LEU CG C 13 25.83 0.5 . 1 . . . . 85 . . . 5078 1 959 . 1 1 86 86 LEU CD1 C 13 24.11 0.5 . 2 . . . . 85 . . . 5078 1 960 . 1 1 86 86 LEU CD2 C 13 22.39 0.5 . 2 . . . . 85 . . . 5078 1 961 . 1 1 86 86 LEU N N 15 121.14 0.5 . 1 . . . . 85 . . . 5078 1 962 . 1 1 87 87 GLU H H 1 8.24 0.04 . 1 . . . . 86 . . . 5078 1 963 . 1 1 87 87 GLU HA H 1 4.11 0.04 . 1 . . . . 86 . . . 5078 1 964 . 1 1 87 87 GLU HB2 H 1 1.91 0.04 . 2 . . . . 86 . . . 5078 1 965 . 1 1 87 87 GLU HG2 H 1 2.21 0.04 . 2 . . . . 86 . . . 5078 1 966 . 1 1 87 87 GLU C C 13 176.32 0.5 . 1 . . . . 86 . . . 5078 1 967 . 1 1 87 87 GLU CA C 13 55.78 0.5 . 1 . . . . 86 . . . 5078 1 968 . 1 1 87 87 GLU CB C 13 29.52 0.5 . 1 . . . . 86 . . . 5078 1 969 . 1 1 87 87 GLU CG C 13 35.05 0.5 . 1 . . . . 86 . . . 5078 1 970 . 1 1 87 87 GLU N N 15 119.73 0.5 . 1 . . . . 86 . . . 5078 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 509 5078 1 1 237 5078 1 2 577 5078 1 2 252 5078 1 stop_ save_