data_4385 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4385 _Entry.Title ; Rapid Fold and Sructure Determination of the Archaeal Translation Elongation Factor 1beta from Methanobacterium thermoautotrophicum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-09-01 _Entry.Accession_date 1999-09-03 _Entry.Last_release_date 2000-12-07 _Entry.Original_release_date 2000-12-07 _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 Guennadi Kozlov . . . 4385 2 Irena Ekiel . . . 4385 3 Natalia Beglova . . . 4385 4 Adelinda Yee . . . 4385 5 Akil Dharamsi . . . 4385 6 Asaph Engel . . . 4385 7 Nadeem Siddiqui . . . 4385 8 Andrew Nong . . . 4385 9 Kalle Gehring . . . 4385 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4385 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 340 4385 '15N chemical shifts' 85 4385 '1H chemical shifts' 585 4385 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 . . 2000-12-07 1999-09-01 original author . 4385 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4385 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20414184 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Kozlov, G., Ekiel, I., Beglova, N., Yee, A., Dharamsi, A., Engel, A., Siddiqui, N., Nong, A., and Gehring, K., "Rapid Fold and Sructure Determination of the Archaeal Translation Elongation Factor 1beta from Methanobacterium thermoautotrophicum," J. Biomol. NMR 17, 187-194 (2000). ; _Citation.Title ; Rapid Fold and Sructure Determination of the Archaeal Translation Elongation Factor 1beta from Methanobacterium thermoautotrophicum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 17 _Citation.Journal_issue 3 _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 187 _Citation.Page_last 194 _Citation.Year 2000 _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 Guennadi Kozlov . . . 4385 1 2 Irena Ekiel . . . 4385 1 3 Natalia Beglova . . . 4385 1 4 Adelinda Yee . . . 4385 1 5 Akil Dharamsi . . . 4385 1 6 Asaph Engel . . . 4385 1 7 Nadeem Siddiqui . . . 4385 1 8 Andrew Nong . . . 4385 1 9 Kalle Gehring . . . 4385 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'guanine nucleotide exchange factor' 4385 1 MT1699 4385 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_aEF-1beta _Assembly.Sf_category assembly _Assembly.Sf_framecode system_aEF-1beta _Assembly.Entry_ID 4385 _Assembly.ID 1 _Assembly.Name 'elongation factor-1beta' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; The protein was expressed with a N-terminal his-tag and a linker (sequence MGSSHHHHHHSSGLVPRGSH). Assignments for these extra amino acids are not deposited. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomeric 4385 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 'elongation factor-1beta' 1 $aEF-1beta . . . native . . . . . 4385 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID aEF-1beta abbreviation 4385 1 'elongation factor-1beta' system 4385 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'elongation factor' 4385 1 'guanine nucleotide exchange factor' 4385 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_aEF-1beta _Entity.Sf_category entity _Entity.Sf_framecode aEF-1beta _Entity.Entry_ID 4385 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'elongation factor-1beta' _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 ; MGSSHHHHHHSSGLVPRGSH MGDVVATIKVMPESPDVDLE ALKKEIQERIPEGTELHKID EEPIAFGLVALNVMVVVGDA EGGTEAAEESLSGIEGVSNI EVTDVRRLM ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9550 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1GH8 . "Solution Structure Of The Archaeal Translation Elongation Factor 1beta From Methanobacterium Thermoautotrophicum" . . . . . 81.65 89 100.00 100.00 5.58e-53 . . . . 4385 1 2 no DBJ BAM70800 . "elongation factor 1-beta [Methanothermobacter sp. CaT2]" . . . . . 81.65 89 100.00 100.00 5.58e-53 . . . . 4385 1 3 no GB AAB86171 . "translation elongation factor EF-1b [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 81.65 89 100.00 100.00 5.58e-53 . . . . 4385 1 4 no REF WP_010877307 . "MULTISPECIES: effector protein [Methanothermobacter]" . . . . . 81.65 89 100.00 100.00 5.58e-53 . . . . 4385 1 5 no SP O27734 . "RecName: Full=Elongation factor 1-beta; Short=EF-1-beta; AltName: Full=aEF-1beta" . . . . . 81.65 89 100.00 100.00 5.58e-53 . . . . 4385 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID aEF-1beta abbreviation 4385 1 'elongation factor-1beta' common 4385 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 . MET . 4385 1 2 . GLY . 4385 1 3 . SER . 4385 1 4 . SER . 4385 1 5 . HIS . 4385 1 6 . HIS . 4385 1 7 . HIS . 4385 1 8 . HIS . 4385 1 9 . HIS . 4385 1 10 . HIS . 4385 1 11 . SER . 4385 1 12 . SER . 4385 1 13 . GLY . 4385 1 14 . LEU . 4385 1 15 . VAL . 4385 1 16 . PRO . 4385 1 17 . ARG . 4385 1 18 . GLY . 4385 1 19 . SER . 4385 1 20 . HIS . 4385 1 21 1 MET . 4385 1 22 2 GLY . 4385 1 23 3 ASP . 4385 1 24 4 VAL . 4385 1 25 5 VAL . 4385 1 26 6 ALA . 4385 1 27 7 THR . 4385 1 28 8 ILE . 4385 1 29 9 LYS . 4385 1 30 10 VAL . 4385 1 31 11 MET . 4385 1 32 12 PRO . 4385 1 33 13 GLU . 4385 1 34 14 SER . 4385 1 35 15 PRO . 4385 1 36 16 ASP . 4385 1 37 17 VAL . 4385 1 38 18 ASP . 4385 1 39 19 LEU . 4385 1 40 20 GLU . 4385 1 41 21 ALA . 4385 1 42 22 LEU . 4385 1 43 23 LYS . 4385 1 44 24 LYS . 4385 1 45 25 GLU . 4385 1 46 26 ILE . 4385 1 47 27 GLN . 4385 1 48 28 GLU . 4385 1 49 29 ARG . 4385 1 50 30 ILE . 4385 1 51 31 PRO . 4385 1 52 32 GLU . 4385 1 53 33 GLY . 4385 1 54 34 THR . 4385 1 55 35 GLU . 4385 1 56 36 LEU . 4385 1 57 37 HIS . 4385 1 58 38 LYS . 4385 1 59 39 ILE . 4385 1 60 40 ASP . 4385 1 61 41 GLU . 4385 1 62 42 GLU . 4385 1 63 43 PRO . 4385 1 64 44 ILE . 4385 1 65 45 ALA . 4385 1 66 46 PHE . 4385 1 67 47 GLY . 4385 1 68 48 LEU . 4385 1 69 49 VAL . 4385 1 70 50 ALA . 4385 1 71 51 LEU . 4385 1 72 52 ASN . 4385 1 73 53 VAL . 4385 1 74 54 MET . 4385 1 75 55 VAL . 4385 1 76 56 VAL . 4385 1 77 57 VAL . 4385 1 78 58 GLY . 4385 1 79 59 ASP . 4385 1 80 60 ALA . 4385 1 81 61 GLU . 4385 1 82 62 GLY . 4385 1 83 63 GLY . 4385 1 84 64 THR . 4385 1 85 65 GLU . 4385 1 86 66 ALA . 4385 1 87 67 ALA . 4385 1 88 68 GLU . 4385 1 89 69 GLU . 4385 1 90 70 SER . 4385 1 91 71 LEU . 4385 1 92 72 SER . 4385 1 93 73 GLY . 4385 1 94 74 ILE . 4385 1 95 75 GLU . 4385 1 96 76 GLY . 4385 1 97 77 VAL . 4385 1 98 78 SER . 4385 1 99 79 ASN . 4385 1 100 80 ILE . 4385 1 101 81 GLU . 4385 1 102 82 VAL . 4385 1 103 83 THR . 4385 1 104 84 ASP . 4385 1 105 85 VAL . 4385 1 106 86 ARG . 4385 1 107 87 ARG . 4385 1 108 88 LEU . 4385 1 109 89 MET . 4385 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 4385 1 . GLY 2 2 4385 1 . SER 3 3 4385 1 . SER 4 4 4385 1 . HIS 5 5 4385 1 . HIS 6 6 4385 1 . HIS 7 7 4385 1 . HIS 8 8 4385 1 . HIS 9 9 4385 1 . HIS 10 10 4385 1 . SER 11 11 4385 1 . SER 12 12 4385 1 . GLY 13 13 4385 1 . LEU 14 14 4385 1 . VAL 15 15 4385 1 . PRO 16 16 4385 1 . ARG 17 17 4385 1 . GLY 18 18 4385 1 . SER 19 19 4385 1 . HIS 20 20 4385 1 . MET 21 21 4385 1 . GLY 22 22 4385 1 . ASP 23 23 4385 1 . VAL 24 24 4385 1 . VAL 25 25 4385 1 . ALA 26 26 4385 1 . THR 27 27 4385 1 . ILE 28 28 4385 1 . LYS 29 29 4385 1 . VAL 30 30 4385 1 . MET 31 31 4385 1 . PRO 32 32 4385 1 . GLU 33 33 4385 1 . SER 34 34 4385 1 . PRO 35 35 4385 1 . ASP 36 36 4385 1 . VAL 37 37 4385 1 . ASP 38 38 4385 1 . LEU 39 39 4385 1 . GLU 40 40 4385 1 . ALA 41 41 4385 1 . LEU 42 42 4385 1 . LYS 43 43 4385 1 . LYS 44 44 4385 1 . GLU 45 45 4385 1 . ILE 46 46 4385 1 . GLN 47 47 4385 1 . GLU 48 48 4385 1 . ARG 49 49 4385 1 . ILE 50 50 4385 1 . PRO 51 51 4385 1 . GLU 52 52 4385 1 . GLY 53 53 4385 1 . THR 54 54 4385 1 . GLU 55 55 4385 1 . LEU 56 56 4385 1 . HIS 57 57 4385 1 . LYS 58 58 4385 1 . ILE 59 59 4385 1 . ASP 60 60 4385 1 . GLU 61 61 4385 1 . GLU 62 62 4385 1 . PRO 63 63 4385 1 . ILE 64 64 4385 1 . ALA 65 65 4385 1 . PHE 66 66 4385 1 . GLY 67 67 4385 1 . LEU 68 68 4385 1 . VAL 69 69 4385 1 . ALA 70 70 4385 1 . LEU 71 71 4385 1 . ASN 72 72 4385 1 . VAL 73 73 4385 1 . MET 74 74 4385 1 . VAL 75 75 4385 1 . VAL 76 76 4385 1 . VAL 77 77 4385 1 . GLY 78 78 4385 1 . ASP 79 79 4385 1 . ALA 80 80 4385 1 . GLU 81 81 4385 1 . GLY 82 82 4385 1 . GLY 83 83 4385 1 . THR 84 84 4385 1 . GLU 85 85 4385 1 . ALA 86 86 4385 1 . ALA 87 87 4385 1 . GLU 88 88 4385 1 . GLU 89 89 4385 1 . SER 90 90 4385 1 . LEU 91 91 4385 1 . SER 92 92 4385 1 . GLY 93 93 4385 1 . ILE 94 94 4385 1 . GLU 95 95 4385 1 . GLY 96 96 4385 1 . VAL 97 97 4385 1 . SER 98 98 4385 1 . ASN 99 99 4385 1 . ILE 100 100 4385 1 . GLU 101 101 4385 1 . VAL 102 102 4385 1 . THR 103 103 4385 1 . ASP 104 104 4385 1 . VAL 105 105 4385 1 . ARG 106 106 4385 1 . ARG 107 107 4385 1 . LEU 108 108 4385 1 . MET 109 109 4385 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 4385 _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 $aEF-1beta . 2166 . . 'Methanobacterium thermoautotrophicum' 'Methanobacterium thermoautotrophicum' . . Archaea Euryarchaeota Methanobacterium thermoautotrophicum . . . . . . . . . . . . . . . . . . . . . 4385 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 4385 _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 $aEF-1beta . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4385 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4385 _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 'elongation factor-1beta' '[U-98% 13C; U-98% 15N]' . . 1 $aEF-1beta . . . 1.0 3.0 mM . . . . 4385 1 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 4385 1 3 'sodium chloride' . . . . . . . 150 . . mM . . . . 4385 1 4 EDTA . . . . . . . 10 . . mM . . . . 4385 1 5 'sodium azide' . . . . . . . 0.02 . . % . . . . 4385 1 stop_ save_ ####################### # Sample conditions # ####################### save_standard_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode standard_conditions _Sample_condition_list.Entry_ID 4385 _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 'ionic strength' 0.2 0.02 M 4385 1 pH 6.3 0.1 n/a 4385 1 temperature 303 1 K 4385 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4385 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4385 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4385 _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_spectrometer1 Bruker DRX . 500 . . . 4385 1 2 NMR_spectrometer2 Varian Unity . 750 . . . 4385 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 4385 _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 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4385 1 2 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4385 1 3 1H-13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4385 1 4 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4385 1 5 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4385 1 6 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4385 1 7 '1H-13C TOCSY & COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4385 1 8 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4385 1 9 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4385 1 10 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4385 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 4385 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 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 4385 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N HSQC' _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 4385 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 1H-13C-HSQC _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 4385 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4385 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4385 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-13C 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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4385 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '1H-13C TOCSY & COSY' _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 4385 _NMR_spec_expt.ID 8 _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4385 _NMR_spec_expt.ID 9 _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4385 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name CBCACONH _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 4385 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4385 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4385 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4385 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts _Assigned_chem_shift_list.Entry_ID 4385 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $standard_conditions _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 '2D NOESY' . . . 4385 1 2 '1H-15N HSQC' . . . 4385 1 3 1H-13C-HSQC . . . 4385 1 4 '1H-15N NOESY' . . . 4385 1 5 '1H-15N TOCSY' . . . 4385 1 6 '1H-13C NOESY' . . . 4385 1 7 '1H-13C TOCSY & COSY' . . . 4385 1 8 HNCO . . . 4385 1 9 HNCA . . . 4385 1 10 CBCACONH . . . 4385 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 21 21 MET N N 15 121.0 0.25 . 1 . . . . . . . . 4385 1 2 . 1 1 21 21 MET H H 1 8.36 0.01 . 1 . . . . . . . . 4385 1 3 . 1 1 21 21 MET CA C 13 55.9 0.20 . 1 . . . . . . . . 4385 1 4 . 1 1 21 21 MET HA H 1 4.39 0.01 . 1 . . . . . . . . 4385 1 5 . 1 1 21 21 MET CB C 13 31.8 0.20 . 1 . . . . . . . . 4385 1 6 . 1 1 21 21 MET HB2 H 1 2.15 0.01 . 2 . . . . . . . . 4385 1 7 . 1 1 21 21 MET HG2 H 1 2.54 0.01 . 2 . . . . . . . . 4385 1 8 . 1 1 21 21 MET HE1 H 1 2.09 0.01 . 1 . . . . . . . . 4385 1 9 . 1 1 21 21 MET HE2 H 1 2.09 0.01 . 1 . . . . . . . . 4385 1 10 . 1 1 21 21 MET HE3 H 1 2.09 0.01 . 1 . . . . . . . . 4385 1 11 . 1 1 21 21 MET C C 13 176.6 0.10 . 1 . . . . . . . . 4385 1 12 . 1 1 22 22 GLY N N 15 111.4 0.25 . 1 . . . . . . . . 4385 1 13 . 1 1 22 22 GLY H H 1 8.55 0.01 . 1 . . . . . . . . 4385 1 14 . 1 1 22 22 GLY CA C 13 44.9 0.20 . 1 . . . . . . . . 4385 1 15 . 1 1 22 22 GLY HA2 H 1 4.15 0.01 . 2 . . . . . . . . 4385 1 16 . 1 1 22 22 GLY HA3 H 1 3.91 0.01 . 2 . . . . . . . . 4385 1 17 . 1 1 22 22 GLY C C 13 173.2 0.10 . 1 . . . . . . . . 4385 1 18 . 1 1 23 23 ASP N N 15 120.3 0.25 . 1 . . . . . . . . 4385 1 19 . 1 1 23 23 ASP H H 1 8.13 0.01 . 1 . . . . . . . . 4385 1 20 . 1 1 23 23 ASP CA C 13 54.1 0.20 . 1 . . . . . . . . 4385 1 21 . 1 1 23 23 ASP HA H 1 4.89 0.01 . 1 . . . . . . . . 4385 1 22 . 1 1 23 23 ASP CB C 13 41.8 0.20 . 1 . . . . . . . . 4385 1 23 . 1 1 23 23 ASP HB2 H 1 2.72 0.01 . 2 . . . . . . . . 4385 1 24 . 1 1 23 23 ASP HB3 H 1 2.61 0.01 . 2 . . . . . . . . 4385 1 25 . 1 1 23 23 ASP C C 13 175.5 0.10 . 1 . . . . . . . . 4385 1 26 . 1 1 24 24 VAL N N 15 119.8 0.25 . 1 . . . . . . . . 4385 1 27 . 1 1 24 24 VAL H H 1 8.54 0.01 . 1 . . . . . . . . 4385 1 28 . 1 1 24 24 VAL CA C 13 61.2 0.20 . 1 . . . . . . . . 4385 1 29 . 1 1 24 24 VAL HA H 1 4.54 0.01 . 1 . . . . . . . . 4385 1 30 . 1 1 24 24 VAL CB C 13 32.6 0.20 . 1 . . . . . . . . 4385 1 31 . 1 1 24 24 VAL HB H 1 1.95 0.01 . 1 . . . . . . . . 4385 1 32 . 1 1 24 24 VAL CG1 C 13 20.6 0.20 . 1 . . . . . . . . 4385 1 33 . 1 1 24 24 VAL HG11 H 1 0.87 0.01 . 2 . . . . . . . . 4385 1 34 . 1 1 24 24 VAL HG12 H 1 0.87 0.01 . 2 . . . . . . . . 4385 1 35 . 1 1 24 24 VAL HG13 H 1 0.87 0.01 . 2 . . . . . . . . 4385 1 36 . 1 1 24 24 VAL CG2 C 13 21.2 0.20 . 1 . . . . . . . . 4385 1 37 . 1 1 24 24 VAL HG21 H 1 0.74 0.01 . 2 . . . . . . . . 4385 1 38 . 1 1 24 24 VAL HG22 H 1 0.74 0.01 . 2 . . . . . . . . 4385 1 39 . 1 1 24 24 VAL HG23 H 1 0.74 0.01 . 2 . . . . . . . . 4385 1 40 . 1 1 24 24 VAL C C 13 174.4 0.10 . 1 . . . . . . . . 4385 1 41 . 1 1 25 25 VAL N N 15 124.3 0.25 . 1 . . . . . . . . 4385 1 42 . 1 1 25 25 VAL H H 1 9.06 0.01 . 1 . . . . . . . . 4385 1 43 . 1 1 25 25 VAL CA C 13 59.0 0.20 . 1 . . . . . . . . 4385 1 44 . 1 1 25 25 VAL HA H 1 5.14 0.01 . 1 . . . . . . . . 4385 1 45 . 1 1 25 25 VAL CB C 13 34.1 0.20 . 1 . . . . . . . . 4385 1 46 . 1 1 25 25 VAL HB H 1 1.81 0.01 . 1 . . . . . . . . 4385 1 47 . 1 1 25 25 VAL CG1 C 13 20.5 0.20 . 1 . . . . . . . . 4385 1 48 . 1 1 25 25 VAL HG11 H 1 0.78 0.01 . 2 . . . . . . . . 4385 1 49 . 1 1 25 25 VAL HG12 H 1 0.78 0.01 . 2 . . . . . . . . 4385 1 50 . 1 1 25 25 VAL HG13 H 1 0.78 0.01 . 2 . . . . . . . . 4385 1 51 . 1 1 25 25 VAL CG2 C 13 20.8 0.20 . 1 . . . . . . . . 4385 1 52 . 1 1 25 25 VAL HG21 H 1 0.75 0.01 . 2 . . . . . . . . 4385 1 53 . 1 1 25 25 VAL HG22 H 1 0.75 0.01 . 2 . . . . . . . . 4385 1 54 . 1 1 25 25 VAL HG23 H 1 0.75 0.01 . 2 . . . . . . . . 4385 1 55 . 1 1 25 25 VAL C C 13 174.9 0.10 . 1 . . . . . . . . 4385 1 56 . 1 1 26 26 ALA N N 15 131.3 0.25 . 1 . . . . . . . . 4385 1 57 . 1 1 26 26 ALA H H 1 9.41 0.01 . 1 . . . . . . . . 4385 1 58 . 1 1 26 26 ALA CA C 13 49.4 0.20 . 1 . . . . . . . . 4385 1 59 . 1 1 26 26 ALA HA H 1 5.40 0.01 . 1 . . . . . . . . 4385 1 60 . 1 1 26 26 ALA CB C 13 21.9 0.20 . 1 . . . . . . . . 4385 1 61 . 1 1 26 26 ALA HB1 H 1 1.32 0.01 . 1 . . . . . . . . 4385 1 62 . 1 1 26 26 ALA HB2 H 1 1.32 0.01 . 1 . . . . . . . . 4385 1 63 . 1 1 26 26 ALA HB3 H 1 1.32 0.01 . 1 . . . . . . . . 4385 1 64 . 1 1 26 26 ALA C C 13 176.0 0.10 . 1 . . . . . . . . 4385 1 65 . 1 1 27 27 THR N N 15 118.9 0.25 . 1 . . . . . . . . 4385 1 66 . 1 1 27 27 THR H H 1 9.03 0.01 . 1 . . . . . . . . 4385 1 67 . 1 1 27 27 THR CA C 13 62.1 0.20 . 1 . . . . . . . . 4385 1 68 . 1 1 27 27 THR HA H 1 4.89 0.01 . 1 . . . . . . . . 4385 1 69 . 1 1 27 27 THR CB C 13 39.0 0.20 . 1 . . . . . . . . 4385 1 70 . 1 1 27 27 THR HB H 1 4.05 0.01 . 1 . . . . . . . . 4385 1 71 . 1 1 27 27 THR CG2 C 13 21.0 0.20 . 1 . . . . . . . . 4385 1 72 . 1 1 27 27 THR HG21 H 1 1.02 0.01 . 1 . . . . . . . . 4385 1 73 . 1 1 27 27 THR HG22 H 1 1.02 0.01 . 1 . . . . . . . . 4385 1 74 . 1 1 27 27 THR HG23 H 1 1.02 0.01 . 1 . . . . . . . . 4385 1 75 . 1 1 27 27 THR C C 13 172.9 0.10 . 1 . . . . . . . . 4385 1 76 . 1 1 28 28 ILE N N 15 128.2 0.25 . 1 . . . . . . . . 4385 1 77 . 1 1 28 28 ILE H H 1 9.56 0.01 . 1 . . . . . . . . 4385 1 78 . 1 1 28 28 ILE CA C 13 59.8 0.20 . 1 . . . . . . . . 4385 1 79 . 1 1 28 28 ILE HA H 1 4.67 0.01 . 1 . . . . . . . . 4385 1 80 . 1 1 28 28 ILE CB C 13 39.8 0.20 . 1 . . . . . . . . 4385 1 81 . 1 1 28 28 ILE HB H 1 1.80 0.01 . 1 . . . . . . . . 4385 1 82 . 1 1 28 28 ILE CG2 C 13 18.2 0.20 . 2 . . . . . . . . 4385 1 83 . 1 1 28 28 ILE HG21 H 1 0.72 0.01 . 1 . . . . . . . . 4385 1 84 . 1 1 28 28 ILE HG22 H 1 0.72 0.01 . 1 . . . . . . . . 4385 1 85 . 1 1 28 28 ILE HG23 H 1 0.72 0.01 . 1 . . . . . . . . 4385 1 86 . 1 1 28 28 ILE CG1 C 13 27.3 0.20 . 2 . . . . . . . . 4385 1 87 . 1 1 28 28 ILE HG12 H 1 0.93 0.01 . 2 . . . . . . . . 4385 1 88 . 1 1 28 28 ILE CD1 C 13 13.5 0.20 . 1 . . . . . . . . 4385 1 89 . 1 1 28 28 ILE HD11 H 1 0.71 0.01 . 1 . . . . . . . . 4385 1 90 . 1 1 28 28 ILE HD12 H 1 0.71 0.01 . 1 . . . . . . . . 4385 1 91 . 1 1 28 28 ILE HD13 H 1 0.71 0.01 . 1 . . . . . . . . 4385 1 92 . 1 1 28 28 ILE C C 13 174.2 0.10 . 1 . . . . . . . . 4385 1 93 . 1 1 29 29 LYS N N 15 131.2 0.25 . 1 . . . . . . . . 4385 1 94 . 1 1 29 29 LYS H H 1 9.64 0.01 . 1 . . . . . . . . 4385 1 95 . 1 1 29 29 LYS CA C 13 55.6 0.20 . 1 . . . . . . . . 4385 1 96 . 1 1 29 29 LYS HA H 1 5.16 0.01 . 1 . . . . . . . . 4385 1 97 . 1 1 29 29 LYS CB C 13 33.7 0.20 . 1 . . . . . . . . 4385 1 98 . 1 1 29 29 LYS HB2 H 1 1.89 0.01 . 2 . . . . . . . . 4385 1 99 . 1 1 29 29 LYS HB3 H 1 1.80 0.01 . 2 . . . . . . . . 4385 1 100 . 1 1 29 29 LYS CG C 13 24.2 0.20 . 1 . . . . . . . . 4385 1 101 . 1 1 29 29 LYS HG2 H 1 1.42 0.01 . 2 . . . . . . . . 4385 1 102 . 1 1 29 29 LYS HG3 H 1 1.18 0.01 . 2 . . . . . . . . 4385 1 103 . 1 1 29 29 LYS CD C 13 29.0 0.20 . 1 . . . . . . . . 4385 1 104 . 1 1 29 29 LYS HD2 H 1 1.68 0.01 . 2 . . . . . . . . 4385 1 105 . 1 1 29 29 LYS CE C 13 41.0 0.20 . 1 . . . . . . . . 4385 1 106 . 1 1 29 29 LYS HE2 H 1 2.86 0.01 . 2 . . . . . . . . 4385 1 107 . 1 1 29 29 LYS C C 13 176.0 0.10 . 1 . . . . . . . . 4385 1 108 . 1 1 30 30 VAL N N 15 130.1 0.25 . 1 . . . . . . . . 4385 1 109 . 1 1 30 30 VAL H H 1 9.74 0.01 . 1 . . . . . . . . 4385 1 110 . 1 1 30 30 VAL CA C 13 61.2 0.20 . 1 . . . . . . . . 4385 1 111 . 1 1 30 30 VAL HA H 1 4.46 0.01 . 1 . . . . . . . . 4385 1 112 . 1 1 30 30 VAL CB C 13 33.2 0.20 . 1 . . . . . . . . 4385 1 113 . 1 1 30 30 VAL HB H 1 2.27 0.01 . 1 . . . . . . . . 4385 1 114 . 1 1 30 30 VAL CG1 C 13 21.7 0.20 . 1 . . . . . . . . 4385 1 115 . 1 1 30 30 VAL HG11 H 1 0.98 0.01 . 1 . . . . . . . . 4385 1 116 . 1 1 30 30 VAL HG12 H 1 0.98 0.01 . 1 . . . . . . . . 4385 1 117 . 1 1 30 30 VAL HG13 H 1 0.98 0.01 . 1 . . . . . . . . 4385 1 118 . 1 1 30 30 VAL CG2 C 13 20.7 0.20 . 1 . . . . . . . . 4385 1 119 . 1 1 30 30 VAL HG21 H 1 0.98 0.01 . 1 . . . . . . . . 4385 1 120 . 1 1 30 30 VAL HG22 H 1 0.98 0.01 . 1 . . . . . . . . 4385 1 121 . 1 1 30 30 VAL HG23 H 1 0.98 0.01 . 1 . . . . . . . . 4385 1 122 . 1 1 30 30 VAL C C 13 174.5 0.10 . 1 . . . . . . . . 4385 1 123 . 1 1 31 31 MET N N 15 127.3 0.25 . 1 . . . . . . . . 4385 1 124 . 1 1 31 31 MET H H 1 8.63 0.01 . 1 . . . . . . . . 4385 1 125 . 1 1 31 31 MET CA C 13 50.7 0.20 . 1 . . . . . . . . 4385 1 126 . 1 1 31 31 MET HA H 1 5.38 0.01 . 1 . . . . . . . . 4385 1 127 . 1 1 31 31 MET CB C 13 33.2 0.20 . 1 . . . . . . . . 4385 1 128 . 1 1 31 31 MET HB2 H 1 2.24 0.01 . 2 . . . . . . . . 4385 1 129 . 1 1 31 31 MET HB3 H 1 2.08 0.01 . 2 . . . . . . . . 4385 1 130 . 1 1 31 31 MET HG2 H 1 2.65 0.01 . 2 . . . . . . . . 4385 1 131 . 1 1 31 31 MET HG3 H 1 2.60 0.01 . 2 . . . . . . . . 4385 1 132 . 1 1 31 31 MET HE1 H 1 2.12 0.01 . 1 . . . . . . . . 4385 1 133 . 1 1 31 31 MET HE2 H 1 2.12 0.01 . 1 . . . . . . . . 4385 1 134 . 1 1 31 31 MET HE3 H 1 2.12 0.01 . 1 . . . . . . . . 4385 1 135 . 1 1 32 32 PRO CD C 13 52.1 0.20 . 1 . . . . . . . . 4385 1 136 . 1 1 32 32 PRO CA C 13 31.8 0.20 . 1 . . . . . . . . 4385 1 137 . 1 1 32 32 PRO HA H 1 5.09 0.01 . 1 . . . . . . . . 4385 1 138 . 1 1 32 32 PRO CB C 13 32.9 0.20 . 1 . . . . . . . . 4385 1 139 . 1 1 32 32 PRO HB2 H 1 2.25 0.01 . 2 . . . . . . . . 4385 1 140 . 1 1 32 32 PRO HB3 H 1 2.05 0.01 . 2 . . . . . . . . 4385 1 141 . 1 1 32 32 PRO CG C 13 27.1 0.20 . 1 . . . . . . . . 4385 1 142 . 1 1 32 32 PRO HG2 H 1 1.96 0.01 . 2 . . . . . . . . 4385 1 143 . 1 1 32 32 PRO HD2 H 1 3.00 0.01 . 2 . . . . . . . . 4385 1 144 . 1 1 32 32 PRO HD3 H 1 2.84 0.01 . 2 . . . . . . . . 4385 1 145 . 1 1 32 32 PRO C C 13 176.5 0.10 . 1 . . . . . . . . 4385 1 146 . 1 1 33 33 GLU N N 15 118.0 0.25 . 1 . . . . . . . . 4385 1 147 . 1 1 33 33 GLU H H 1 8.72 0.01 . 1 . . . . . . . . 4385 1 148 . 1 1 33 33 GLU CA C 13 57.2 0.20 . 1 . . . . . . . . 4385 1 149 . 1 1 33 33 GLU HA H 1 4.14 0.01 . 1 . . . . . . . . 4385 1 150 . 1 1 33 33 GLU CB C 13 30.5 0.20 . 1 . . . . . . . . 4385 1 151 . 1 1 33 33 GLU HB2 H 1 2.00 0.01 . 2 . . . . . . . . 4385 1 152 . 1 1 33 33 GLU HB3 H 1 1.87 0.01 . 2 . . . . . . . . 4385 1 153 . 1 1 33 33 GLU CG C 13 35.2 0.20 . 1 . . . . . . . . 4385 1 154 . 1 1 33 33 GLU HG2 H 1 2.26 0.01 . 2 . . . . . . . . 4385 1 155 . 1 1 33 33 GLU C C 13 175.3 0.10 . 1 . . . . . . . . 4385 1 156 . 1 1 34 34 SER N N 15 110.8 0.25 . 1 . . . . . . . . 4385 1 157 . 1 1 34 34 SER H H 1 7.47 0.01 . 1 . . . . . . . . 4385 1 158 . 1 1 34 34 SER CA C 13 56.0 0.20 . 1 . . . . . . . . 4385 1 159 . 1 1 34 34 SER HA H 1 5.05 0.01 . 1 . . . . . . . . 4385 1 160 . 1 1 34 34 SER CB C 13 31.2 0.20 . 1 . . . . . . . . 4385 1 161 . 1 1 34 34 SER HB2 H 1 4.28 0.01 . 2 . . . . . . . . 4385 1 162 . 1 1 34 34 SER HB3 H 1 3.89 0.01 . 2 . . . . . . . . 4385 1 163 . 1 1 35 35 PRO CD C 13 51.1 0.20 . 1 . . . . . . . . 4385 1 164 . 1 1 35 35 PRO CA C 13 33.8 0.20 . 1 . . . . . . . . 4385 1 165 . 1 1 35 35 PRO HA H 1 4.71 0.01 . 1 . . . . . . . . 4385 1 166 . 1 1 35 35 PRO HB2 H 1 2.07 0.01 . 2 . . . . . . . . 4385 1 167 . 1 1 35 35 PRO HB3 H 1 1.97 0.01 . 2 . . . . . . . . 4385 1 168 . 1 1 35 35 PRO CG C 13 27.3 0.20 . 1 . . . . . . . . 4385 1 169 . 1 1 35 35 PRO HG2 H 1 2.21 0.01 . 2 . . . . . . . . 4385 1 170 . 1 1 35 35 PRO HD2 H 1 4.12 0.01 . 2 . . . . . . . . 4385 1 171 . 1 1 35 35 PRO HD3 H 1 4.05 0.01 . 2 . . . . . . . . 4385 1 172 . 1 1 35 35 PRO C C 13 175.8 0.10 . 1 . . . . . . . . 4385 1 173 . 1 1 36 36 ASP N N 15 116.1 0.25 . 1 . . . . . . . . 4385 1 174 . 1 1 36 36 ASP H H 1 8.11 0.01 . 1 . . . . . . . . 4385 1 175 . 1 1 36 36 ASP CA C 13 54.3 0.20 . 1 . . . . . . . . 4385 1 176 . 1 1 36 36 ASP HA H 1 4.67 0.01 . 1 . . . . . . . . 4385 1 177 . 1 1 36 36 ASP CB C 13 40.7 0.20 . 1 . . . . . . . . 4385 1 178 . 1 1 36 36 ASP HB2 H 1 2.83 0.01 . 2 . . . . . . . . 4385 1 179 . 1 1 36 36 ASP HB3 H 1 2.51 0.01 . 2 . . . . . . . . 4385 1 180 . 1 1 36 36 ASP C C 13 176.4 0.10 . 1 . . . . . . . . 4385 1 181 . 1 1 37 37 VAL N N 15 121.2 0.25 . 1 . . . . . . . . 4385 1 182 . 1 1 37 37 VAL H H 1 7.08 0.01 . 1 . . . . . . . . 4385 1 183 . 1 1 37 37 VAL CA C 13 62.7 0.20 . 1 . . . . . . . . 4385 1 184 . 1 1 37 37 VAL HA H 1 3.88 0.01 . 1 . . . . . . . . 4385 1 185 . 1 1 37 37 VAL CB C 13 31.8 0.20 . 1 . . . . . . . . 4385 1 186 . 1 1 37 37 VAL HB H 1 2.24 0.01 . 1 . . . . . . . . 4385 1 187 . 1 1 37 37 VAL CG1 C 13 22.2 0.20 . 1 . . . . . . . . 4385 1 188 . 1 1 37 37 VAL HG11 H 1 1.34 0.01 . 2 . . . . . . . . 4385 1 189 . 1 1 37 37 VAL HG12 H 1 1.34 0.01 . 2 . . . . . . . . 4385 1 190 . 1 1 37 37 VAL HG13 H 1 1.34 0.01 . 2 . . . . . . . . 4385 1 191 . 1 1 37 37 VAL CG2 C 13 20.7 0.20 . 1 . . . . . . . . 4385 1 192 . 1 1 37 37 VAL HG21 H 1 1.06 0.01 . 2 . . . . . . . . 4385 1 193 . 1 1 37 37 VAL HG22 H 1 1.06 0.01 . 2 . . . . . . . . 4385 1 194 . 1 1 37 37 VAL HG23 H 1 1.06 0.01 . 2 . . . . . . . . 4385 1 195 . 1 1 37 37 VAL C C 13 175.3 0.10 . 1 . . . . . . . . 4385 1 196 . 1 1 38 38 ASP N N 15 127.5 0.25 . 1 . . . . . . . . 4385 1 197 . 1 1 38 38 ASP H H 1 8.57 0.01 . 1 . . . . . . . . 4385 1 198 . 1 1 38 38 ASP CA C 13 53.3 0.20 . 1 . . . . . . . . 4385 1 199 . 1 1 38 38 ASP HA H 1 4.64 0.01 . 1 . . . . . . . . 4385 1 200 . 1 1 38 38 ASP CB C 13 40.7 0.20 . 1 . . . . . . . . 4385 1 201 . 1 1 38 38 ASP HB2 H 1 3.00 0.01 . 2 . . . . . . . . 4385 1 202 . 1 1 38 38 ASP HB3 H 1 2.78 0.01 . 2 . . . . . . . . 4385 1 203 . 1 1 38 38 ASP C C 13 177.0 0.10 . 1 . . . . . . . . 4385 1 204 . 1 1 39 39 LEU N N 15 130.1 0.25 . 1 . . . . . . . . 4385 1 205 . 1 1 39 39 LEU H H 1 8.89 0.01 . 1 . . . . . . . . 4385 1 206 . 1 1 39 39 LEU CA C 13 57.3 0.20 . 1 . . . . . . . . 4385 1 207 . 1 1 39 39 LEU HA H 1 4.07 0.01 . 1 . . . . . . . . 4385 1 208 . 1 1 39 39 LEU CB C 13 42.3 0.20 . 1 . . . . . . . . 4385 1 209 . 1 1 39 39 LEU HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4385 1 210 . 1 1 39 39 LEU HB3 H 1 1.54 0.01 . 2 . . . . . . . . 4385 1 211 . 1 1 39 39 LEU HG H 1 1.71 0.01 . 1 . . . . . . . . 4385 1 212 . 1 1 39 39 LEU CD1 C 13 24.6 0.20 . 2 . . . . . . . . 4385 1 213 . 1 1 39 39 LEU HD11 H 1 0.90 0.01 . 1 . . . . . . . . 4385 1 214 . 1 1 39 39 LEU HD12 H 1 0.90 0.01 . 1 . . . . . . . . 4385 1 215 . 1 1 39 39 LEU HD13 H 1 0.90 0.01 . 1 . . . . . . . . 4385 1 216 . 1 1 39 39 LEU CD2 C 13 22.7 0.20 . 2 . . . . . . . . 4385 1 217 . 1 1 39 39 LEU HD21 H 1 0.90 0.01 . 1 . . . . . . . . 4385 1 218 . 1 1 39 39 LEU HD22 H 1 0.90 0.01 . 1 . . . . . . . . 4385 1 219 . 1 1 39 39 LEU HD23 H 1 0.90 0.01 . 1 . . . . . . . . 4385 1 220 . 1 1 39 39 LEU C C 13 179.3 0.10 . 1 . . . . . . . . 4385 1 221 . 1 1 40 40 GLU N N 15 118.6 0.25 . 1 . . . . . . . . 4385 1 222 . 1 1 40 40 GLU H H 1 8.21 0.01 . 1 . . . . . . . . 4385 1 223 . 1 1 40 40 GLU CA C 13 59.0 0.20 . 1 . . . . . . . . 4385 1 224 . 1 1 40 40 GLU HA H 1 4.06 0.01 . 1 . . . . . . . . 4385 1 225 . 1 1 40 40 GLU CB C 13 28.1 0.20 . 1 . . . . . . . . 4385 1 226 . 1 1 40 40 GLU HB2 H 1 2.24 0.01 . 2 . . . . . . . . 4385 1 227 . 1 1 40 40 GLU HB3 H 1 2.20 0.01 . 2 . . . . . . . . 4385 1 228 . 1 1 40 40 GLU CG C 13 35.9 0.20 . 1 . . . . . . . . 4385 1 229 . 1 1 40 40 GLU HG2 H 1 2.47 0.01 . 2 . . . . . . . . 4385 1 230 . 1 1 40 40 GLU HG3 H 1 2.38 0.01 . 2 . . . . . . . . 4385 1 231 . 1 1 40 40 GLU C C 13 179.9 0.10 . 1 . . . . . . . . 4385 1 232 . 1 1 41 41 ALA N N 15 124.0 0.25 . 1 . . . . . . . . 4385 1 233 . 1 1 41 41 ALA H H 1 7.95 0.01 . 1 . . . . . . . . 4385 1 234 . 1 1 41 41 ALA CA C 13 54.2 0.20 . 1 . . . . . . . . 4385 1 235 . 1 1 41 41 ALA HA H 1 4.19 0.01 . 1 . . . . . . . . 4385 1 236 . 1 1 41 41 ALA CB C 13 17.5 0.20 . 1 . . . . . . . . 4385 1 237 . 1 1 41 41 ALA HB1 H 1 1.54 0.01 . 1 . . . . . . . . 4385 1 238 . 1 1 41 41 ALA HB2 H 1 1.54 0.01 . 1 . . . . . . . . 4385 1 239 . 1 1 41 41 ALA HB3 H 1 1.54 0.01 . 1 . . . . . . . . 4385 1 240 . 1 1 41 41 ALA C C 13 180.7 0.10 . 1 . . . . . . . . 4385 1 241 . 1 1 42 42 LEU N N 15 121.0 0.25 . 1 . . . . . . . . 4385 1 242 . 1 1 42 42 LEU H H 1 7.98 0.01 . 1 . . . . . . . . 4385 1 243 . 1 1 42 42 LEU CA C 13 57.7 0.20 . 1 . . . . . . . . 4385 1 244 . 1 1 42 42 LEU HA H 1 4.24 0.01 . 1 . . . . . . . . 4385 1 245 . 1 1 42 42 LEU CB C 13 41.7 0.20 . 1 . . . . . . . . 4385 1 246 . 1 1 42 42 LEU HB2 H 1 1.80 0.01 . 2 . . . . . . . . 4385 1 247 . 1 1 42 42 LEU HB3 H 1 1.72 0.01 . 2 . . . . . . . . 4385 1 248 . 1 1 42 42 LEU CG C 13 26.6 0.20 . 1 . . . . . . . . 4385 1 249 . 1 1 42 42 LEU HG H 1 1.63 0.01 . 1 . . . . . . . . 4385 1 250 . 1 1 42 42 LEU CD1 C 13 24.6 0.20 . 2 . . . . . . . . 4385 1 251 . 1 1 42 42 LEU HD11 H 1 0.92 0.01 . 2 . . . . . . . . 4385 1 252 . 1 1 42 42 LEU HD12 H 1 0.92 0.01 . 2 . . . . . . . . 4385 1 253 . 1 1 42 42 LEU HD13 H 1 0.92 0.01 . 2 . . . . . . . . 4385 1 254 . 1 1 42 42 LEU CD2 C 13 23.8 0.20 . 2 . . . . . . . . 4385 1 255 . 1 1 42 42 LEU HD21 H 1 0.81 0.01 . 2 . . . . . . . . 4385 1 256 . 1 1 42 42 LEU HD22 H 1 0.81 0.01 . 2 . . . . . . . . 4385 1 257 . 1 1 42 42 LEU HD23 H 1 0.81 0.01 . 2 . . . . . . . . 4385 1 258 . 1 1 42 42 LEU C C 13 178.6 0.10 . 1 . . . . . . . . 4385 1 259 . 1 1 43 43 LYS N N 15 118.2 0.25 . 1 . . . . . . . . 4385 1 260 . 1 1 43 43 LYS H H 1 8.36 0.01 . 1 . . . . . . . . 4385 1 261 . 1 1 43 43 LYS CA C 13 60.8 0.20 . 1 . . . . . . . . 4385 1 262 . 1 1 43 43 LYS HA H 1 3.74 0.01 . 1 . . . . . . . . 4385 1 263 . 1 1 43 43 LYS CB C 13 32.5 0.20 . 1 . . . . . . . . 4385 1 264 . 1 1 43 43 LYS HB2 H 1 2.00 0.01 . 2 . . . . . . . . 4385 1 265 . 1 1 43 43 LYS HB3 H 1 1.89 0.01 . 2 . . . . . . . . 4385 1 266 . 1 1 43 43 LYS CG C 13 26.8 0.20 . 1 . . . . . . . . 4385 1 267 . 1 1 43 43 LYS HG2 H 1 1.26 0.01 . 2 . . . . . . . . 4385 1 268 . 1 1 43 43 LYS HG3 H 1 1.00 0.01 . 2 . . . . . . . . 4385 1 269 . 1 1 43 43 LYS CD C 13 30.0 0.20 . 1 . . . . . . . . 4385 1 270 . 1 1 43 43 LYS HD2 H 1 1.81 0.01 . 2 . . . . . . . . 4385 1 271 . 1 1 43 43 LYS HD3 H 1 1.70 0.01 . 2 . . . . . . . . 4385 1 272 . 1 1 43 43 LYS CE C 13 41.6 0.20 . 1 . . . . . . . . 4385 1 273 . 1 1 43 43 LYS HE2 H 1 2.70 0.01 . 2 . . . . . . . . 4385 1 274 . 1 1 43 43 LYS C C 13 178.7 0.10 . 1 . . . . . . . . 4385 1 275 . 1 1 44 44 LYS N N 15 119.1 0.25 . 1 . . . . . . . . 4385 1 276 . 1 1 44 44 LYS H H 1 7.47 0.01 . 1 . . . . . . . . 4385 1 277 . 1 1 44 44 LYS CA C 13 59.0 0.20 . 1 . . . . . . . . 4385 1 278 . 1 1 44 44 LYS HA H 1 4.08 0.01 . 1 . . . . . . . . 4385 1 279 . 1 1 44 44 LYS CB C 13 31.7 0.20 . 1 . . . . . . . . 4385 1 280 . 1 1 44 44 LYS HB2 H 1 2.03 0.01 . 2 . . . . . . . . 4385 1 281 . 1 1 44 44 LYS HB3 H 1 1.98 0.01 . 2 . . . . . . . . 4385 1 282 . 1 1 44 44 LYS CG C 13 24.6 0.20 . 1 . . . . . . . . 4385 1 283 . 1 1 44 44 LYS HG2 H 1 1.62 0.01 . 2 . . . . . . . . 4385 1 284 . 1 1 44 44 LYS HG3 H 1 1.49 0.01 . 2 . . . . . . . . 4385 1 285 . 1 1 44 44 LYS CD C 13 28.8 0.20 . 1 . . . . . . . . 4385 1 286 . 1 1 44 44 LYS HD2 H 1 1.75 0.01 . 2 . . . . . . . . 4385 1 287 . 1 1 44 44 LYS CE C 13 41.3 0.20 . 1 . . . . . . . . 4385 1 288 . 1 1 44 44 LYS HE2 H 1 3.06 0.01 . 2 . . . . . . . . 4385 1 289 . 1 1 44 44 LYS C C 13 178.4 0.10 . 1 . . . . . . . . 4385 1 290 . 1 1 45 45 GLU N N 15 120.5 0.25 . 1 . . . . . . . . 4385 1 291 . 1 1 45 45 GLU H H 1 7.98 0.01 . 1 . . . . . . . . 4385 1 292 . 1 1 45 45 GLU CA C 13 59.0 0.20 . 1 . . . . . . . . 4385 1 293 . 1 1 45 45 GLU HA H 1 4.12 0.01 . 1 . . . . . . . . 4385 1 294 . 1 1 45 45 GLU CB C 13 29.1 0.20 . 1 . . . . . . . . 4385 1 295 . 1 1 45 45 GLU HB2 H 1 2.27 0.01 . 2 . . . . . . . . 4385 1 296 . 1 1 45 45 GLU CG C 13 35.6 0.20 . 1 . . . . . . . . 4385 1 297 . 1 1 45 45 GLU HG2 H 1 2.41 0.01 . 2 . . . . . . . . 4385 1 298 . 1 1 45 45 GLU C C 13 178.9 0.10 . 1 . . . . . . . . 4385 1 299 . 1 1 46 46 ILE N N 15 118.9 0.25 . 1 . . . . . . . . 4385 1 300 . 1 1 46 46 ILE H H 1 8.51 0.01 . 1 . . . . . . . . 4385 1 301 . 1 1 46 46 ILE CA C 13 65.6 0.20 . 1 . . . . . . . . 4385 1 302 . 1 1 46 46 ILE HA H 1 3.40 0.01 . 1 . . . . . . . . 4385 1 303 . 1 1 46 46 ILE CB C 13 37.4 0.20 . 1 . . . . . . . . 4385 1 304 . 1 1 46 46 ILE HB H 1 2.01 0.01 . 1 . . . . . . . . 4385 1 305 . 1 1 46 46 ILE CG2 C 13 17.0 0.20 . 2 . . . . . . . . 4385 1 306 . 1 1 46 46 ILE HG21 H 1 0.86 0.01 . 1 . . . . . . . . 4385 1 307 . 1 1 46 46 ILE HG22 H 1 0.86 0.01 . 1 . . . . . . . . 4385 1 308 . 1 1 46 46 ILE HG23 H 1 0.86 0.01 . 1 . . . . . . . . 4385 1 309 . 1 1 46 46 ILE CG1 C 13 19.7 0.20 . 2 . . . . . . . . 4385 1 310 . 1 1 46 46 ILE CD1 C 13 14.9 0.20 . 1 . . . . . . . . 4385 1 311 . 1 1 46 46 ILE HD11 H 1 0.79 0.01 . 1 . . . . . . . . 4385 1 312 . 1 1 46 46 ILE HD12 H 1 0.79 0.01 . 1 . . . . . . . . 4385 1 313 . 1 1 46 46 ILE HD13 H 1 0.79 0.01 . 1 . . . . . . . . 4385 1 314 . 1 1 46 46 ILE C C 13 177.1 0.10 . 1 . . . . . . . . 4385 1 315 . 1 1 47 47 GLN N N 15 115.6 0.25 . 1 . . . . . . . . 4385 1 316 . 1 1 47 47 GLN H H 1 7.65 0.01 . 1 . . . . . . . . 4385 1 317 . 1 1 47 47 GLN CA C 13 59.0 0.20 . 1 . . . . . . . . 4385 1 318 . 1 1 47 47 GLN HA H 1 3.87 0.01 . 1 . . . . . . . . 4385 1 319 . 1 1 47 47 GLN CB C 13 28.2 0.20 . 1 . . . . . . . . 4385 1 320 . 1 1 47 47 GLN HB2 H 1 2.25 0.01 . 2 . . . . . . . . 4385 1 321 . 1 1 47 47 GLN CG C 13 34.2 0.20 . 1 . . . . . . . . 4385 1 322 . 1 1 47 47 GLN HG2 H 1 2.54 0.01 . 2 . . . . . . . . 4385 1 323 . 1 1 47 47 GLN HE21 H 1 7.23 0.01 . 1 . . . . . . . . 4385 1 324 . 1 1 47 47 GLN HE22 H 1 6.93 0.01 . 1 . . . . . . . . 4385 1 325 . 1 1 47 47 GLN C C 13 178.2 0.10 . 1 . . . . . . . . 4385 1 326 . 1 1 48 48 GLU N N 15 116.8 0.25 . 1 . . . . . . . . 4385 1 327 . 1 1 48 48 GLU H H 1 7.79 0.01 . 1 . . . . . . . . 4385 1 328 . 1 1 48 48 GLU CA C 13 57.5 0.20 . 1 . . . . . . . . 4385 1 329 . 1 1 48 48 GLU HA H 1 4.12 0.01 . 1 . . . . . . . . 4385 1 330 . 1 1 48 48 GLU CB C 13 29.7 0.20 . 1 . . . . . . . . 4385 1 331 . 1 1 48 48 GLU HB2 H 1 2.20 0.01 . 2 . . . . . . . . 4385 1 332 . 1 1 48 48 GLU CG C 13 36.1 0.20 . 1 . . . . . . . . 4385 1 333 . 1 1 48 48 GLU HG2 H 1 2.41 0.01 . 2 . . . . . . . . 4385 1 334 . 1 1 48 48 GLU C C 13 177.9 0.10 . 1 . . . . . . . . 4385 1 335 . 1 1 49 49 ARG N N 15 117.7 0.25 . 1 . . . . . . . . 4385 1 336 . 1 1 49 49 ARG H H 1 7.79 0.01 . 1 . . . . . . . . 4385 1 337 . 1 1 49 49 ARG CA C 13 55.6 0.20 . 1 . . . . . . . . 4385 1 338 . 1 1 49 49 ARG HA H 1 4.33 0.01 . 1 . . . . . . . . 4385 1 339 . 1 1 49 49 ARG HB2 H 1 2.02 0.01 . 2 . . . . . . . . 4385 1 340 . 1 1 49 49 ARG HB3 H 1 1.83 0.01 . 2 . . . . . . . . 4385 1 341 . 1 1 49 49 ARG CG C 13 27.9 0.20 . 1 . . . . . . . . 4385 1 342 . 1 1 49 49 ARG HG2 H 1 1.75 0.01 . 2 . . . . . . . . 4385 1 343 . 1 1 49 49 ARG HG3 H 1 1.71 0.01 . 2 . . . . . . . . 4385 1 344 . 1 1 49 49 ARG CD C 13 43.2 0.20 . 1 . . . . . . . . 4385 1 345 . 1 1 49 49 ARG HD2 H 1 3.24 0.01 . 2 . . . . . . . . 4385 1 346 . 1 1 49 49 ARG HD3 H 1 3.07 0.01 . 2 . . . . . . . . 4385 1 347 . 1 1 49 49 ARG C C 13 176.6 0.10 . 1 . . . . . . . . 4385 1 348 . 1 1 50 50 ILE N N 15 120.6 0.25 . 1 . . . . . . . . 4385 1 349 . 1 1 50 50 ILE H H 1 7.17 0.01 . 1 . . . . . . . . 4385 1 350 . 1 1 50 50 ILE CA C 13 57.8 0.20 . 1 . . . . . . . . 4385 1 351 . 1 1 50 50 ILE HA H 1 4.23 0.01 . 1 . . . . . . . . 4385 1 352 . 1 1 50 50 ILE CB C 13 35.9 0.20 . 1 . . . . . . . . 4385 1 353 . 1 1 50 50 ILE HB H 1 2.10 0.01 . 1 . . . . . . . . 4385 1 354 . 1 1 50 50 ILE CG2 C 13 17.4 0.20 . 2 . . . . . . . . 4385 1 355 . 1 1 50 50 ILE HG21 H 1 0.94 0.01 . 1 . . . . . . . . 4385 1 356 . 1 1 50 50 ILE HG22 H 1 0.94 0.01 . 1 . . . . . . . . 4385 1 357 . 1 1 50 50 ILE HG23 H 1 0.94 0.01 . 1 . . . . . . . . 4385 1 358 . 1 1 50 50 ILE HG12 H 1 1.92 0.01 . 2 . . . . . . . . 4385 1 359 . 1 1 50 50 ILE HG13 H 1 1.49 0.01 . 2 . . . . . . . . 4385 1 360 . 1 1 50 50 ILE CD1 C 13 10.7 0.20 . 1 . . . . . . . . 4385 1 361 . 1 1 50 50 ILE HD11 H 1 0.73 0.01 . 1 . . . . . . . . 4385 1 362 . 1 1 50 50 ILE HD12 H 1 0.73 0.01 . 1 . . . . . . . . 4385 1 363 . 1 1 50 50 ILE HD13 H 1 0.73 0.01 . 1 . . . . . . . . 4385 1 364 . 1 1 51 51 PRO CD C 13 49.9 0.20 . 1 . . . . . . . . 4385 1 365 . 1 1 51 51 PRO CA C 13 62.7 0.20 . 1 . . . . . . . . 4385 1 366 . 1 1 51 51 PRO HA H 1 4.54 0.01 . 1 . . . . . . . . 4385 1 367 . 1 1 51 51 PRO HB2 H 1 2.36 0.01 . 2 . . . . . . . . 4385 1 368 . 1 1 51 51 PRO HB3 H 1 2.04 0.01 . 2 . . . . . . . . 4385 1 369 . 1 1 51 51 PRO CG C 13 26.0 0.20 . 1 . . . . . . . . 4385 1 370 . 1 1 51 51 PRO HG2 H 1 1.98 0.01 . 2 . . . . . . . . 4385 1 371 . 1 1 51 51 PRO HG3 H 1 1.86 0.01 . 2 . . . . . . . . 4385 1 372 . 1 1 51 51 PRO HD2 H 1 3.47 0.01 . 2 . . . . . . . . 4385 1 373 . 1 1 51 51 PRO C C 13 176.5 0.10 . 1 . . . . . . . . 4385 1 374 . 1 1 52 52 GLU N N 15 121.5 0.25 . 1 . . . . . . . . 4385 1 375 . 1 1 52 52 GLU H H 1 8.57 0.01 . 1 . . . . . . . . 4385 1 376 . 1 1 52 52 GLU CA C 13 57.8 0.20 . 1 . . . . . . . . 4385 1 377 . 1 1 52 52 GLU HA H 1 4.19 0.01 . 1 . . . . . . . . 4385 1 378 . 1 1 52 52 GLU HB2 H 1 2.10 0.01 . 2 . . . . . . . . 4385 1 379 . 1 1 52 52 GLU HB3 H 1 2.04 0.01 . 2 . . . . . . . . 4385 1 380 . 1 1 52 52 GLU CG C 13 35.8 0.20 . 1 . . . . . . . . 4385 1 381 . 1 1 52 52 GLU HG2 H 1 2.36 0.01 . 2 . . . . . . . . 4385 1 382 . 1 1 52 52 GLU C C 13 177.7 0.10 . 1 . . . . . . . . 4385 1 383 . 1 1 53 53 GLY N N 15 114.5 0.25 . 1 . . . . . . . . 4385 1 384 . 1 1 53 53 GLY H H 1 8.98 0.01 . 1 . . . . . . . . 4385 1 385 . 1 1 53 53 GLY CA C 13 44.8 0.20 . 1 . . . . . . . . 4385 1 386 . 1 1 53 53 GLY HA2 H 1 4.42 0.01 . 2 . . . . . . . . 4385 1 387 . 1 1 53 53 GLY HA3 H 1 3.77 0.01 . 2 . . . . . . . . 4385 1 388 . 1 1 53 53 GLY C C 13 174.0 0.10 . 1 . . . . . . . . 4385 1 389 . 1 1 54 54 THR N N 15 116.7 0.25 . 1 . . . . . . . . 4385 1 390 . 1 1 54 54 THR H H 1 8.13 0.01 . 1 . . . . . . . . 4385 1 391 . 1 1 54 54 THR CA C 13 61.3 0.20 . 1 . . . . . . . . 4385 1 392 . 1 1 54 54 THR HA H 1 4.83 0.01 . 1 . . . . . . . . 4385 1 393 . 1 1 54 54 THR CB C 13 40.0 0.20 . 1 . . . . . . . . 4385 1 394 . 1 1 54 54 THR HB H 1 4.15 0.01 . 1 . . . . . . . . 4385 1 395 . 1 1 54 54 THR CG2 C 13 22.1 0.20 . 1 . . . . . . . . 4385 1 396 . 1 1 54 54 THR HG21 H 1 1.10 0.01 . 1 . . . . . . . . 4385 1 397 . 1 1 54 54 THR HG22 H 1 1.10 0.01 . 1 . . . . . . . . 4385 1 398 . 1 1 54 54 THR HG23 H 1 1.10 0.01 . 1 . . . . . . . . 4385 1 399 . 1 1 54 54 THR C C 13 172.7 0.10 . 1 . . . . . . . . 4385 1 400 . 1 1 55 55 GLU N N 15 122.2 0.25 . 1 . . . . . . . . 4385 1 401 . 1 1 55 55 GLU H H 1 8.41 0.01 . 1 . . . . . . . . 4385 1 402 . 1 1 55 55 GLU CA C 13 54.2 0.20 . 1 . . . . . . . . 4385 1 403 . 1 1 55 55 GLU HA H 1 4.73 0.01 . 1 . . . . . . . . 4385 1 404 . 1 1 55 55 GLU CB C 13 32.6 0.20 . 1 . . . . . . . . 4385 1 405 . 1 1 55 55 GLU HB2 H 1 2.05 0.01 . 2 . . . . . . . . 4385 1 406 . 1 1 55 55 GLU HB3 H 1 1.92 0.01 . 2 . . . . . . . . 4385 1 407 . 1 1 55 55 GLU CG C 13 35.6 0.20 . 1 . . . . . . . . 4385 1 408 . 1 1 55 55 GLU HG2 H 1 2.29 0.01 . 2 . . . . . . . . 4385 1 409 . 1 1 55 55 GLU C C 13 175.5 0.10 . 1 . . . . . . . . 4385 1 410 . 1 1 56 56 LEU N N 15 127.1 0.25 . 1 . . . . . . . . 4385 1 411 . 1 1 56 56 LEU H H 1 9.17 0.01 . 1 . . . . . . . . 4385 1 412 . 1 1 56 56 LEU CA C 13 54.8 0.20 . 1 . . . . . . . . 4385 1 413 . 1 1 56 56 LEU HA H 1 4.46 0.01 . 1 . . . . . . . . 4385 1 414 . 1 1 56 56 LEU CB C 13 42.0 0.20 . 1 . . . . . . . . 4385 1 415 . 1 1 56 56 LEU HB2 H 1 2.02 0.01 . 2 . . . . . . . . 4385 1 416 . 1 1 56 56 LEU HB3 H 1 1.46 0.01 . 2 . . . . . . . . 4385 1 417 . 1 1 56 56 LEU HD11 H 1 0.93 0.01 . 1 . . . . . . . . 4385 1 418 . 1 1 56 56 LEU HD12 H 1 0.93 0.01 . 1 . . . . . . . . 4385 1 419 . 1 1 56 56 LEU HD13 H 1 0.93 0.01 . 1 . . . . . . . . 4385 1 420 . 1 1 56 56 LEU HD21 H 1 0.93 0.01 . 1 . . . . . . . . 4385 1 421 . 1 1 56 56 LEU HD22 H 1 0.93 0.01 . 1 . . . . . . . . 4385 1 422 . 1 1 56 56 LEU HD23 H 1 0.93 0.01 . 1 . . . . . . . . 4385 1 423 . 1 1 56 56 LEU C C 13 175.4 0.10 . 1 . . . . . . . . 4385 1 424 . 1 1 57 57 HIS N N 15 128.2 0.25 . 1 . . . . . . . . 4385 1 425 . 1 1 57 57 HIS H H 1 9.36 0.01 . 1 . . . . . . . . 4385 1 426 . 1 1 57 57 HIS CA C 13 57.6 0.20 . 1 . . . . . . . . 4385 1 427 . 1 1 57 57 HIS HA H 1 4.89 0.01 . 1 . . . . . . . . 4385 1 428 . 1 1 57 57 HIS CB C 13 31.4 0.20 . 1 . . . . . . . . 4385 1 429 . 1 1 57 57 HIS HB2 H 1 3.01 0.01 . 2 . . . . . . . . 4385 1 430 . 1 1 57 57 HIS HB3 H 1 2.84 0.01 . 2 . . . . . . . . 4385 1 431 . 1 1 57 57 HIS HD2 H 1 7.02 0.01 . 1 . . . . . . . . 4385 1 432 . 1 1 57 57 HIS HE1 H 1 7.97 0.01 . 1 . . . . . . . . 4385 1 433 . 1 1 57 57 HIS C C 13 174.8 0.10 . 1 . . . . . . . . 4385 1 434 . 1 1 58 58 LYS N N 15 114.7 0.25 . 1 . . . . . . . . 4385 1 435 . 1 1 58 58 LYS H H 1 7.76 0.01 . 1 . . . . . . . . 4385 1 436 . 1 1 58 58 LYS CA C 13 56.0 0.20 . 1 . . . . . . . . 4385 1 437 . 1 1 58 58 LYS HA H 1 4.46 0.01 . 1 . . . . . . . . 4385 1 438 . 1 1 58 58 LYS CB C 13 35.7 0.20 . 1 . . . . . . . . 4385 1 439 . 1 1 58 58 LYS HB2 H 1 1.95 0.01 . 2 . . . . . . . . 4385 1 440 . 1 1 58 58 LYS HB3 H 1 1.88 0.01 . 2 . . . . . . . . 4385 1 441 . 1 1 58 58 LYS CG C 13 23.7 0.20 . 1 . . . . . . . . 4385 1 442 . 1 1 58 58 LYS HG2 H 1 1.69 0.01 . 2 . . . . . . . . 4385 1 443 . 1 1 58 58 LYS CD C 13 29.3 0.20 . 1 . . . . . . . . 4385 1 444 . 1 1 58 58 LYS HD2 H 1 1.25 0.01 . 2 . . . . . . . . 4385 1 445 . 1 1 58 58 LYS CE C 13 41.5 0.20 . 1 . . . . . . . . 4385 1 446 . 1 1 58 58 LYS HE2 H 1 3.02 0.01 . 2 . . . . . . . . 4385 1 447 . 1 1 58 58 LYS C C 13 173.7 0.10 . 1 . . . . . . . . 4385 1 448 . 1 1 59 59 ILE N N 15 120.7 0.25 . 1 . . . . . . . . 4385 1 449 . 1 1 59 59 ILE H H 1 8.50 0.01 . 1 . . . . . . . . 4385 1 450 . 1 1 59 59 ILE CA C 13 61.1 0.20 . 1 . . . . . . . . 4385 1 451 . 1 1 59 59 ILE HA H 1 4.97 0.01 . 1 . . . . . . . . 4385 1 452 . 1 1 59 59 ILE CB C 13 39.8 0.20 . 1 . . . . . . . . 4385 1 453 . 1 1 59 59 ILE HB H 1 1.82 0.01 . 1 . . . . . . . . 4385 1 454 . 1 1 59 59 ILE CG2 C 13 18.5 0.20 . 2 . . . . . . . . 4385 1 455 . 1 1 59 59 ILE HG21 H 1 0.87 0.01 . 1 . . . . . . . . 4385 1 456 . 1 1 59 59 ILE HG22 H 1 0.87 0.01 . 1 . . . . . . . . 4385 1 457 . 1 1 59 59 ILE HG23 H 1 0.87 0.01 . 1 . . . . . . . . 4385 1 458 . 1 1 59 59 ILE CG1 C 13 27.9 0.20 . 2 . . . . . . . . 4385 1 459 . 1 1 59 59 ILE HG12 H 1 1.04 0.01 . 2 . . . . . . . . 4385 1 460 . 1 1 59 59 ILE HG13 H 1 0.99 0.01 . 2 . . . . . . . . 4385 1 461 . 1 1 59 59 ILE CD1 C 13 13.7 0.20 . 1 . . . . . . . . 4385 1 462 . 1 1 59 59 ILE HD11 H 1 0.98 0.01 . 1 . . . . . . . . 4385 1 463 . 1 1 59 59 ILE HD12 H 1 0.98 0.01 . 1 . . . . . . . . 4385 1 464 . 1 1 59 59 ILE HD13 H 1 0.98 0.01 . 1 . . . . . . . . 4385 1 465 . 1 1 59 59 ILE C C 13 174.8 0.10 . 1 . . . . . . . . 4385 1 466 . 1 1 60 60 ASP N N 15 128.2 0.25 . 1 . . . . . . . . 4385 1 467 . 1 1 60 60 ASP H H 1 9.00 0.01 . 1 . . . . . . . . 4385 1 468 . 1 1 60 60 ASP CA C 13 52.2 0.20 . 1 . . . . . . . . 4385 1 469 . 1 1 60 60 ASP HA H 1 5.24 0.01 . 1 . . . . . . . . 4385 1 470 . 1 1 60 60 ASP CB C 13 44.4 0.20 . 1 . . . . . . . . 4385 1 471 . 1 1 60 60 ASP HB2 H 1 2.80 0.01 . 2 . . . . . . . . 4385 1 472 . 1 1 60 60 ASP HB3 H 1 2.57 0.01 . 2 . . . . . . . . 4385 1 473 . 1 1 60 60 ASP C C 13 175.2 0.10 . 1 . . . . . . . . 4385 1 474 . 1 1 61 61 GLU N N 15 121.2 0.25 . 1 . . . . . . . . 4385 1 475 . 1 1 61 61 GLU H H 1 8.69 0.01 . 1 . . . . . . . . 4385 1 476 . 1 1 61 61 GLU CA C 13 55.5 0.20 . 1 . . . . . . . . 4385 1 477 . 1 1 61 61 GLU HA H 1 4.83 0.01 . 1 . . . . . . . . 4385 1 478 . 1 1 61 61 GLU HB2 H 1 1.91 0.01 . 2 . . . . . . . . 4385 1 479 . 1 1 61 61 GLU CG C 13 36.1 0.20 . 1 . . . . . . . . 4385 1 480 . 1 1 61 61 GLU HG2 H 1 2.27 0.01 . 2 . . . . . . . . 4385 1 481 . 1 1 61 61 GLU C C 13 176.4 0.10 . 1 . . . . . . . . 4385 1 482 . 1 1 62 62 GLU N N 15 125.4 0.25 . 1 . . . . . . . . 4385 1 483 . 1 1 62 62 GLU H H 1 9.10 0.01 . 1 . . . . . . . . 4385 1 484 . 1 1 62 62 GLU CA C 13 52.7 0.20 . 1 . . . . . . . . 4385 1 485 . 1 1 62 62 GLU HA H 1 4.93 0.01 . 1 . . . . . . . . 4385 1 486 . 1 1 62 62 GLU CB C 13 32.4 0.20 . 1 . . . . . . . . 4385 1 487 . 1 1 62 62 GLU HB2 H 1 1.91 0.01 . 2 . . . . . . . . 4385 1 488 . 1 1 62 62 GLU HG2 H 1 2.04 0.01 . 2 . . . . . . . . 4385 1 489 . 1 1 63 63 PRO CD C 13 50.7 0.20 . 1 . . . . . . . . 4385 1 490 . 1 1 63 63 PRO CA C 13 63.5 0.20 . 1 . . . . . . . . 4385 1 491 . 1 1 63 63 PRO HA H 1 4.58 0.01 . 1 . . . . . . . . 4385 1 492 . 1 1 63 63 PRO CB C 13 31.5 0.20 . 1 . . . . . . . . 4385 1 493 . 1 1 63 63 PRO HB2 H 1 2.39 0.01 . 2 . . . . . . . . 4385 1 494 . 1 1 63 63 PRO CG C 13 27.3 0.20 . 1 . . . . . . . . 4385 1 495 . 1 1 63 63 PRO HG2 H 1 2.11 0.01 . 2 . . . . . . . . 4385 1 496 . 1 1 63 63 PRO HG3 H 1 2.02 0.01 . 2 . . . . . . . . 4385 1 497 . 1 1 63 63 PRO HD2 H 1 3.86 0.01 . 2 . . . . . . . . 4385 1 498 . 1 1 63 63 PRO HD3 H 1 3.80 0.01 . 2 . . . . . . . . 4385 1 499 . 1 1 63 63 PRO C C 13 176.5 0.10 . 1 . . . . . . . . 4385 1 500 . 1 1 64 64 ILE N N 15 124.3 0.25 . 1 . . . . . . . . 4385 1 501 . 1 1 64 64 ILE H H 1 8.64 0.01 . 1 . . . . . . . . 4385 1 502 . 1 1 64 64 ILE CA C 13 60.4 0.20 . 1 . . . . . . . . 4385 1 503 . 1 1 64 64 ILE HA H 1 4.42 0.01 . 1 . . . . . . . . 4385 1 504 . 1 1 64 64 ILE CB C 13 38.2 0.20 . 1 . . . . . . . . 4385 1 505 . 1 1 64 64 ILE HB H 1 1.92 0.01 . 1 . . . . . . . . 4385 1 506 . 1 1 64 64 ILE CG2 C 13 17.1 0.20 . 2 . . . . . . . . 4385 1 507 . 1 1 64 64 ILE HG21 H 1 0.98 0.01 . 1 . . . . . . . . 4385 1 508 . 1 1 64 64 ILE HG22 H 1 0.98 0.01 . 1 . . . . . . . . 4385 1 509 . 1 1 64 64 ILE HG23 H 1 0.98 0.01 . 1 . . . . . . . . 4385 1 510 . 1 1 64 64 ILE CG1 C 13 27.0 0.20 . 2 . . . . . . . . 4385 1 511 . 1 1 64 64 ILE HG12 H 1 1.45 0.01 . 2 . . . . . . . . 4385 1 512 . 1 1 64 64 ILE HG13 H 1 1.25 0.01 . 2 . . . . . . . . 4385 1 513 . 1 1 64 64 ILE CD1 C 13 11.8 0.20 . 1 . . . . . . . . 4385 1 514 . 1 1 64 64 ILE HD11 H 1 0.83 0.01 . 1 . . . . . . . . 4385 1 515 . 1 1 64 64 ILE HD12 H 1 0.83 0.01 . 1 . . . . . . . . 4385 1 516 . 1 1 64 64 ILE HD13 H 1 0.83 0.01 . 1 . . . . . . . . 4385 1 517 . 1 1 64 64 ILE C C 13 175.0 0.10 . 1 . . . . . . . . 4385 1 518 . 1 1 65 65 ALA N N 15 120.5 0.25 . 1 . . . . . . . . 4385 1 519 . 1 1 65 65 ALA H H 1 7.69 0.01 . 1 . . . . . . . . 4385 1 520 . 1 1 65 65 ALA CA C 13 51.9 0.20 . 1 . . . . . . . . 4385 1 521 . 1 1 65 65 ALA HA H 1 4.32 0.01 . 1 . . . . . . . . 4385 1 522 . 1 1 65 65 ALA CB C 13 20.2 0.20 . 1 . . . . . . . . 4385 1 523 . 1 1 65 65 ALA HB1 H 1 1.26 0.01 . 1 . . . . . . . . 4385 1 524 . 1 1 65 65 ALA HB2 H 1 1.26 0.01 . 1 . . . . . . . . 4385 1 525 . 1 1 65 65 ALA HB3 H 1 1.26 0.01 . 1 . . . . . . . . 4385 1 526 . 1 1 66 66 PHE N N 15 118.0 0.25 . 1 . . . . . . . . 4385 1 527 . 1 1 66 66 PHE H H 1 8.76 0.01 . 1 . . . . . . . . 4385 1 528 . 1 1 66 66 PHE CA C 13 58.7 0.20 . 1 . . . . . . . . 4385 1 529 . 1 1 66 66 PHE HA H 1 4.39 0.01 . 1 . . . . . . . . 4385 1 530 . 1 1 66 66 PHE CB C 13 36.7 0.20 . 1 . . . . . . . . 4385 1 531 . 1 1 66 66 PHE HB2 H 1 3.37 0.01 . 2 . . . . . . . . 4385 1 532 . 1 1 66 66 PHE HB3 H 1 3.23 0.01 . 2 . . . . . . . . 4385 1 533 . 1 1 66 66 PHE HD1 H 1 7.33 0.01 . 3 . . . . . . . . 4385 1 534 . 1 1 66 66 PHE HE1 H 1 7.44 0.01 . 3 . . . . . . . . 4385 1 535 . 1 1 66 66 PHE HZ H 1 7.38 0.01 . 1 . . . . . . . . 4385 1 536 . 1 1 66 66 PHE C C 13 176.2 0.10 . 1 . . . . . . . . 4385 1 537 . 1 1 67 67 GLY N N 15 108.6 0.25 . 1 . . . . . . . . 4385 1 538 . 1 1 67 67 GLY H H 1 8.36 0.01 . 1 . . . . . . . . 4385 1 539 . 1 1 67 67 GLY CA C 13 45.1 0.20 . 1 . . . . . . . . 4385 1 540 . 1 1 67 67 GLY HA2 H 1 4.19 0.01 . 2 . . . . . . . . 4385 1 541 . 1 1 67 67 GLY HA3 H 1 3.72 0.01 . 2 . . . . . . . . 4385 1 542 . 1 1 67 67 GLY C C 13 173.7 0.10 . 1 . . . . . . . . 4385 1 543 . 1 1 68 68 LEU N N 15 121.9 0.25 . 1 . . . . . . . . 4385 1 544 . 1 1 68 68 LEU H H 1 7.84 0.01 . 1 . . . . . . . . 4385 1 545 . 1 1 68 68 LEU CA C 13 54.0 0.20 . 1 . . . . . . . . 4385 1 546 . 1 1 68 68 LEU HA H 1 4.62 0.01 . 1 . . . . . . . . 4385 1 547 . 1 1 68 68 LEU CB C 13 43.8 0.20 . 1 . . . . . . . . 4385 1 548 . 1 1 68 68 LEU HB2 H 1 1.68 0.01 . 2 . . . . . . . . 4385 1 549 . 1 1 68 68 LEU HB3 H 1 1.64 0.01 . 2 . . . . . . . . 4385 1 550 . 1 1 68 68 LEU HG H 1 1.58 0.01 . 1 . . . . . . . . 4385 1 551 . 1 1 68 68 LEU HD11 H 1 0.88 0.01 . 1 . . . . . . . . 4385 1 552 . 1 1 68 68 LEU HD12 H 1 0.88 0.01 . 1 . . . . . . . . 4385 1 553 . 1 1 68 68 LEU HD13 H 1 0.88 0.01 . 1 . . . . . . . . 4385 1 554 . 1 1 68 68 LEU HD21 H 1 0.88 0.01 . 1 . . . . . . . . 4385 1 555 . 1 1 68 68 LEU HD22 H 1 0.88 0.01 . 1 . . . . . . . . 4385 1 556 . 1 1 68 68 LEU HD23 H 1 0.88 0.01 . 1 . . . . . . . . 4385 1 557 . 1 1 68 68 LEU C C 13 175.5 0.10 . 1 . . . . . . . . 4385 1 558 . 1 1 69 69 VAL N N 15 127.8 0.25 . 1 . . . . . . . . 4385 1 559 . 1 1 69 69 VAL H H 1 8.49 0.01 . 1 . . . . . . . . 4385 1 560 . 1 1 69 69 VAL CA C 13 61.5 0.20 . 1 . . . . . . . . 4385 1 561 . 1 1 69 69 VAL HA H 1 4.37 0.01 . 1 . . . . . . . . 4385 1 562 . 1 1 69 69 VAL CB C 13 41.3 0.20 . 1 . . . . . . . . 4385 1 563 . 1 1 69 69 VAL HB H 1 2.06 0.01 . 1 . . . . . . . . 4385 1 564 . 1 1 69 69 VAL CG1 C 13 21.0 0.20 . 1 . . . . . . . . 4385 1 565 . 1 1 69 69 VAL HG11 H 1 0.88 0.01 . 1 . . . . . . . . 4385 1 566 . 1 1 69 69 VAL HG12 H 1 0.88 0.01 . 1 . . . . . . . . 4385 1 567 . 1 1 69 69 VAL HG13 H 1 0.88 0.01 . 1 . . . . . . . . 4385 1 568 . 1 1 69 69 VAL CG2 C 13 20.6 0.20 . 1 . . . . . . . . 4385 1 569 . 1 1 69 69 VAL HG21 H 1 0.88 0.01 . 1 . . . . . . . . 4385 1 570 . 1 1 69 69 VAL HG22 H 1 0.88 0.01 . 1 . . . . . . . . 4385 1 571 . 1 1 69 69 VAL HG23 H 1 0.88 0.01 . 1 . . . . . . . . 4385 1 572 . 1 1 69 69 VAL C C 13 173.5 0.10 . 1 . . . . . . . . 4385 1 573 . 1 1 70 70 ALA N N 15 124.7 0.25 . 1 . . . . . . . . 4385 1 574 . 1 1 70 70 ALA H H 1 8.41 0.01 . 1 . . . . . . . . 4385 1 575 . 1 1 70 70 ALA CA C 13 49.9 0.20 . 1 . . . . . . . . 4385 1 576 . 1 1 70 70 ALA HA H 1 4.84 0.01 . 1 . . . . . . . . 4385 1 577 . 1 1 70 70 ALA CB C 13 20.9 0.20 . 1 . . . . . . . . 4385 1 578 . 1 1 70 70 ALA HB1 H 1 1.42 0.01 . 1 . . . . . . . . 4385 1 579 . 1 1 70 70 ALA HB2 H 1 1.42 0.01 . 1 . . . . . . . . 4385 1 580 . 1 1 70 70 ALA HB3 H 1 1.42 0.01 . 1 . . . . . . . . 4385 1 581 . 1 1 70 70 ALA C C 13 176.5 0.10 . 1 . . . . . . . . 4385 1 582 . 1 1 71 71 LEU N N 15 117.0 0.25 . 1 . . . . . . . . 4385 1 583 . 1 1 71 71 LEU H H 1 8.50 0.01 . 1 . . . . . . . . 4385 1 584 . 1 1 71 71 LEU CA C 13 51.9 0.20 . 1 . . . . . . . . 4385 1 585 . 1 1 71 71 LEU HA H 1 5.23 0.01 . 1 . . . . . . . . 4385 1 586 . 1 1 71 71 LEU CB C 13 43.3 0.20 . 1 . . . . . . . . 4385 1 587 . 1 1 71 71 LEU HB2 H 1 1.81 0.01 . 2 . . . . . . . . 4385 1 588 . 1 1 71 71 LEU HB3 H 1 1.09 0.01 . 2 . . . . . . . . 4385 1 589 . 1 1 71 71 LEU HG H 1 1.70 0.01 . 1 . . . . . . . . 4385 1 590 . 1 1 71 71 LEU HD11 H 1 0.86 0.01 . 1 . . . . . . . . 4385 1 591 . 1 1 71 71 LEU HD12 H 1 0.86 0.01 . 1 . . . . . . . . 4385 1 592 . 1 1 71 71 LEU HD13 H 1 0.86 0.01 . 1 . . . . . . . . 4385 1 593 . 1 1 71 71 LEU HD21 H 1 0.86 0.01 . 1 . . . . . . . . 4385 1 594 . 1 1 71 71 LEU HD22 H 1 0.86 0.01 . 1 . . . . . . . . 4385 1 595 . 1 1 71 71 LEU HD23 H 1 0.86 0.01 . 1 . . . . . . . . 4385 1 596 . 1 1 71 71 LEU C C 13 175.3 0.10 . 1 . . . . . . . . 4385 1 597 . 1 1 72 72 ASN N N 15 122.9 0.25 . 1 . . . . . . . . 4385 1 598 . 1 1 72 72 ASN H H 1 9.25 0.01 . 1 . . . . . . . . 4385 1 599 . 1 1 72 72 ASN CA C 13 52.0 0.20 . 1 . . . . . . . . 4385 1 600 . 1 1 72 72 ASN HA H 1 5.29 0.01 . 1 . . . . . . . . 4385 1 601 . 1 1 72 72 ASN CB C 13 39.5 0.20 . 1 . . . . . . . . 4385 1 602 . 1 1 72 72 ASN HB2 H 1 2.57 0.01 . 2 . . . . . . . . 4385 1 603 . 1 1 72 72 ASN HB3 H 1 2.34 0.01 . 2 . . . . . . . . 4385 1 604 . 1 1 72 72 ASN HD21 H 1 6.91 0.01 . 2 . . . . . . . . 4385 1 605 . 1 1 72 72 ASN HD22 H 1 7.21 0.01 . 2 . . . . . . . . 4385 1 606 . 1 1 72 72 ASN C C 13 174.0 0.10 . 1 . . . . . . . . 4385 1 607 . 1 1 73 73 VAL N N 15 128.0 0.25 . 1 . . . . . . . . 4385 1 608 . 1 1 73 73 VAL H H 1 9.64 0.01 . 1 . . . . . . . . 4385 1 609 . 1 1 73 73 VAL CA C 13 61.4 0.20 . 1 . . . . . . . . 4385 1 610 . 1 1 73 73 VAL HA H 1 4.33 0.01 . 1 . . . . . . . . 4385 1 611 . 1 1 73 73 VAL CB C 13 32.3 0.20 . 1 . . . . . . . . 4385 1 612 . 1 1 73 73 VAL HB H 1 2.46 0.01 . 1 . . . . . . . . 4385 1 613 . 1 1 73 73 VAL CG1 C 13 21.7 0.20 . 1 . . . . . . . . 4385 1 614 . 1 1 73 73 VAL HG11 H 1 1.03 0.01 . 2 . . . . . . . . 4385 1 615 . 1 1 73 73 VAL HG12 H 1 1.03 0.01 . 2 . . . . . . . . 4385 1 616 . 1 1 73 73 VAL HG13 H 1 1.03 0.01 . 2 . . . . . . . . 4385 1 617 . 1 1 73 73 VAL CG2 C 13 21.0 0.20 . 1 . . . . . . . . 4385 1 618 . 1 1 73 73 VAL HG21 H 1 0.73 0.01 . 2 . . . . . . . . 4385 1 619 . 1 1 73 73 VAL HG22 H 1 0.73 0.01 . 2 . . . . . . . . 4385 1 620 . 1 1 73 73 VAL HG23 H 1 0.73 0.01 . 2 . . . . . . . . 4385 1 621 . 1 1 73 73 VAL C C 13 174.4 0.10 . 1 . . . . . . . . 4385 1 622 . 1 1 74 74 MET N N 15 127.5 0.25 . 1 . . . . . . . . 4385 1 623 . 1 1 74 74 MET H H 1 9.20 0.01 . 1 . . . . . . . . 4385 1 624 . 1 1 74 74 MET CA C 13 54.7 0.20 . 1 . . . . . . . . 4385 1 625 . 1 1 74 74 MET HA H 1 5.64 0.01 . 1 . . . . . . . . 4385 1 626 . 1 1 74 74 MET CB C 13 34.1 0.20 . 1 . . . . . . . . 4385 1 627 . 1 1 74 74 MET HB2 H 1 2.24 0.01 . 2 . . . . . . . . 4385 1 628 . 1 1 74 74 MET HB3 H 1 1.95 0.01 . 2 . . . . . . . . 4385 1 629 . 1 1 74 74 MET HG2 H 1 2.66 0.01 . 2 . . . . . . . . 4385 1 630 . 1 1 74 74 MET HG3 H 1 2.58 0.01 . 2 . . . . . . . . 4385 1 631 . 1 1 74 74 MET HE1 H 1 2.08 0.01 . 1 . . . . . . . . 4385 1 632 . 1 1 74 74 MET HE2 H 1 2.08 0.01 . 1 . . . . . . . . 4385 1 633 . 1 1 74 74 MET HE3 H 1 2.08 0.01 . 1 . . . . . . . . 4385 1 634 . 1 1 74 74 MET C C 13 175.7 0.10 . 1 . . . . . . . . 4385 1 635 . 1 1 75 75 VAL N N 15 121.0 0.25 . 1 . . . . . . . . 4385 1 636 . 1 1 75 75 VAL H H 1 9.36 0.01 . 1 . . . . . . . . 4385 1 637 . 1 1 75 75 VAL CA C 13 58.4 0.20 . 1 . . . . . . . . 4385 1 638 . 1 1 75 75 VAL HA H 1 5.20 0.01 . 1 . . . . . . . . 4385 1 639 . 1 1 75 75 VAL CB C 13 34.5 0.20 . 1 . . . . . . . . 4385 1 640 . 1 1 75 75 VAL HB H 1 1.98 0.01 . 1 . . . . . . . . 4385 1 641 . 1 1 75 75 VAL CG1 C 13 21.5 0.20 . 1 . . . . . . . . 4385 1 642 . 1 1 75 75 VAL HG11 H 1 0.86 0.01 . 2 . . . . . . . . 4385 1 643 . 1 1 75 75 VAL HG12 H 1 0.86 0.01 . 2 . . . . . . . . 4385 1 644 . 1 1 75 75 VAL HG13 H 1 0.86 0.01 . 2 . . . . . . . . 4385 1 645 . 1 1 75 75 VAL CG2 C 13 19.1 0.20 . 1 . . . . . . . . 4385 1 646 . 1 1 75 75 VAL HG21 H 1 0.79 0.01 . 2 . . . . . . . . 4385 1 647 . 1 1 75 75 VAL HG22 H 1 0.79 0.01 . 2 . . . . . . . . 4385 1 648 . 1 1 75 75 VAL HG23 H 1 0.79 0.01 . 2 . . . . . . . . 4385 1 649 . 1 1 75 75 VAL C C 13 173.8 0.10 . 1 . . . . . . . . 4385 1 650 . 1 1 76 76 VAL N N 15 125.0 0.25 . 1 . . . . . . . . 4385 1 651 . 1 1 76 76 VAL H H 1 9.31 0.01 . 1 . . . . . . . . 4385 1 652 . 1 1 76 76 VAL CA C 13 61.3 0.20 . 1 . . . . . . . . 4385 1 653 . 1 1 76 76 VAL HA H 1 4.86 0.01 . 1 . . . . . . . . 4385 1 654 . 1 1 76 76 VAL CB C 13 32.0 0.20 . 1 . . . . . . . . 4385 1 655 . 1 1 76 76 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 4385 1 656 . 1 1 76 76 VAL CG1 C 13 21.1 0.20 . 1 . . . . . . . . 4385 1 657 . 1 1 76 76 VAL HG11 H 1 0.85 0.01 . 2 . . . . . . . . 4385 1 658 . 1 1 76 76 VAL HG12 H 1 0.85 0.01 . 2 . . . . . . . . 4385 1 659 . 1 1 76 76 VAL HG13 H 1 0.85 0.01 . 2 . . . . . . . . 4385 1 660 . 1 1 76 76 VAL CG2 C 13 20.7 0.20 . 1 . . . . . . . . 4385 1 661 . 1 1 76 76 VAL HG21 H 1 0.74 0.01 . 2 . . . . . . . . 4385 1 662 . 1 1 76 76 VAL HG22 H 1 0.74 0.01 . 2 . . . . . . . . 4385 1 663 . 1 1 76 76 VAL HG23 H 1 0.74 0.01 . 2 . . . . . . . . 4385 1 664 . 1 1 76 76 VAL C C 13 176.4 0.10 . 1 . . . . . . . . 4385 1 665 . 1 1 77 77 VAL N N 15 123.5 0.25 . 1 . . . . . . . . 4385 1 666 . 1 1 77 77 VAL H H 1 8.89 0.01 . 1 . . . . . . . . 4385 1 667 . 1 1 77 77 VAL CA C 13 60.1 0.20 . 1 . . . . . . . . 4385 1 668 . 1 1 77 77 VAL HA H 1 4.62 0.01 . 1 . . . . . . . . 4385 1 669 . 1 1 77 77 VAL CB C 13 33.6 0.20 . 1 . . . . . . . . 4385 1 670 . 1 1 77 77 VAL HB H 1 2.17 0.01 . 1 . . . . . . . . 4385 1 671 . 1 1 77 77 VAL CG1 C 13 21.6 0.20 . 1 . . . . . . . . 4385 1 672 . 1 1 77 77 VAL HG11 H 1 0.87 0.01 . 1 . . . . . . . . 4385 1 673 . 1 1 77 77 VAL HG12 H 1 0.87 0.01 . 1 . . . . . . . . 4385 1 674 . 1 1 77 77 VAL HG13 H 1 0.87 0.01 . 1 . . . . . . . . 4385 1 675 . 1 1 77 77 VAL CG2 C 13 18.8 0.20 . 1 . . . . . . . . 4385 1 676 . 1 1 77 77 VAL HG21 H 1 0.87 0.01 . 1 . . . . . . . . 4385 1 677 . 1 1 77 77 VAL HG22 H 1 0.87 0.01 . 1 . . . . . . . . 4385 1 678 . 1 1 77 77 VAL HG23 H 1 0.87 0.01 . 1 . . . . . . . . 4385 1 679 . 1 1 77 77 VAL C C 13 175.7 0.10 . 1 . . . . . . . . 4385 1 680 . 1 1 78 78 GLY N N 15 110.2 0.25 . 1 . . . . . . . . 4385 1 681 . 1 1 78 78 GLY H H 1 8.27 0.01 . 1 . . . . . . . . 4385 1 682 . 1 1 78 78 GLY CA C 13 45.2 0.20 . 1 . . . . . . . . 4385 1 683 . 1 1 78 78 GLY HA2 H 1 4.38 0.01 . 2 . . . . . . . . 4385 1 684 . 1 1 78 78 GLY HA3 H 1 3.96 0.01 . 2 . . . . . . . . 4385 1 685 . 1 1 78 78 GLY C C 13 174.1 0.10 . 1 . . . . . . . . 4385 1 686 . 1 1 79 79 ASP N N 15 120.0 0.25 . 1 . . . . . . . . 4385 1 687 . 1 1 79 79 ASP H H 1 8.16 0.01 . 1 . . . . . . . . 4385 1 688 . 1 1 79 79 ASP CA C 13 53.9 0.20 . 1 . . . . . . . . 4385 1 689 . 1 1 79 79 ASP HA H 1 4.69 0.01 . 1 . . . . . . . . 4385 1 690 . 1 1 79 79 ASP CB C 13 41.3 0.20 . 1 . . . . . . . . 4385 1 691 . 1 1 79 79 ASP HB2 H 1 2.78 0.01 . 2 . . . . . . . . 4385 1 692 . 1 1 79 79 ASP HB3 H 1 2.73 0.01 . 2 . . . . . . . . 4385 1 693 . 1 1 79 79 ASP C C 13 176.5 0.10 . 1 . . . . . . . . 4385 1 694 . 1 1 80 80 ALA N N 15 124.3 0.25 . 1 . . . . . . . . 4385 1 695 . 1 1 80 80 ALA H H 1 8.42 0.01 . 1 . . . . . . . . 4385 1 696 . 1 1 80 80 ALA CA C 13 53.0 0.20 . 1 . . . . . . . . 4385 1 697 . 1 1 80 80 ALA HA H 1 4.24 0.01 . 1 . . . . . . . . 4385 1 698 . 1 1 80 80 ALA CB C 13 18.9 0.20 . 1 . . . . . . . . 4385 1 699 . 1 1 80 80 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 4385 1 700 . 1 1 80 80 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 4385 1 701 . 1 1 80 80 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 4385 1 702 . 1 1 80 80 ALA C C 13 178.4 0.10 . 1 . . . . . . . . 4385 1 703 . 1 1 81 81 GLU N N 15 120.7 0.25 . 1 . . . . . . . . 4385 1 704 . 1 1 81 81 GLU H H 1 8.54 0.01 . 1 . . . . . . . . 4385 1 705 . 1 1 81 81 GLU CA C 13 56.2 0.20 . 1 . . . . . . . . 4385 1 706 . 1 1 81 81 GLU HA H 1 4.34 0.01 . 1 . . . . . . . . 4385 1 707 . 1 1 81 81 GLU CB C 13 29.4 0.20 . 1 . . . . . . . . 4385 1 708 . 1 1 81 81 GLU HB2 H 1 2.14 0.01 . 2 . . . . . . . . 4385 1 709 . 1 1 81 81 GLU HB3 H 1 2.09 0.01 . 2 . . . . . . . . 4385 1 710 . 1 1 81 81 GLU HG2 H 1 2.34 0.01 . 2 . . . . . . . . 4385 1 711 . 1 1 81 81 GLU C C 13 177.0 0.10 . 1 . . . . . . . . 4385 1 712 . 1 1 82 82 GLY N N 15 110.7 0.25 . 1 . . . . . . . . 4385 1 713 . 1 1 82 82 GLY H H 1 8.60 0.01 . 1 . . . . . . . . 4385 1 714 . 1 1 82 82 GLY CA C 13 45.6 0.20 . 1 . . . . . . . . 4385 1 715 . 1 1 82 82 GLY HA2 H 1 4.04 0.01 . 2 . . . . . . . . 4385 1 716 . 1 1 82 82 GLY HA3 H 1 3.96 0.01 . 2 . . . . . . . . 4385 1 717 . 1 1 82 82 GLY C C 13 176.1 0.10 . 1 . . . . . . . . 4385 1 718 . 1 1 83 83 GLY N N 15 109.5 0.25 . 1 . . . . . . . . 4385 1 719 . 1 1 83 83 GLY H H 1 8.21 0.01 . 1 . . . . . . . . 4385 1 720 . 1 1 83 83 GLY CA C 13 46.5 0.20 . 1 . . . . . . . . 4385 1 721 . 1 1 83 83 GLY HA2 H 1 4.13 0.01 . 2 . . . . . . . . 4385 1 722 . 1 1 83 83 GLY HA3 H 1 4.00 0.01 . 2 . . . . . . . . 4385 1 723 . 1 1 83 83 GLY C C 13 175.6 0.10 . 1 . . . . . . . . 4385 1 724 . 1 1 84 84 THR N N 15 115.4 0.25 . 1 . . . . . . . . 4385 1 725 . 1 1 84 84 THR H H 1 8.31 0.01 . 1 . . . . . . . . 4385 1 726 . 1 1 84 84 THR CA C 13 65.0 0.20 . 1 . . . . . . . . 4385 1 727 . 1 1 84 84 THR HA H 1 4.21 0.01 . 1 . . . . . . . . 4385 1 728 . 1 1 84 84 THR CB C 13 67.7 0.20 . 1 . . . . . . . . 4385 1 729 . 1 1 84 84 THR HB H 1 4.14 0.01 . 1 . . . . . . . . 4385 1 730 . 1 1 84 84 THR CG2 C 13 22.1 0.20 . 1 . . . . . . . . 4385 1 731 . 1 1 84 84 THR HG21 H 1 1.12 0.01 . 1 . . . . . . . . 4385 1 732 . 1 1 84 84 THR HG22 H 1 1.12 0.01 . 1 . . . . . . . . 4385 1 733 . 1 1 84 84 THR HG23 H 1 1.12 0.01 . 1 . . . . . . . . 4385 1 734 . 1 1 84 84 THR C C 13 175.5 0.10 . 1 . . . . . . . . 4385 1 735 . 1 1 85 85 GLU N N 15 123.1 0.25 . 1 . . . . . . . . 4385 1 736 . 1 1 85 85 GLU H H 1 8.42 0.01 . 1 . . . . . . . . 4385 1 737 . 1 1 85 85 GLU CA C 13 60.2 0.20 . 1 . . . . . . . . 4385 1 738 . 1 1 85 85 GLU HA H 1 4.04 0.01 . 1 . . . . . . . . 4385 1 739 . 1 1 85 85 GLU CB C 13 28.7 0.20 . 1 . . . . . . . . 4385 1 740 . 1 1 85 85 GLU HB2 H 1 2.17 0.01 . 2 . . . . . . . . 4385 1 741 . 1 1 85 85 GLU HB3 H 1 2.06 0.01 . 2 . . . . . . . . 4385 1 742 . 1 1 85 85 GLU CG C 13 36.5 0.20 . 1 . . . . . . . . 4385 1 743 . 1 1 85 85 GLU HG2 H 1 2.41 0.01 . 2 . . . . . . . . 4385 1 744 . 1 1 85 85 GLU C C 13 178.6 0.10 . 1 . . . . . . . . 4385 1 745 . 1 1 86 86 ALA N N 15 121.5 0.25 . 1 . . . . . . . . 4385 1 746 . 1 1 86 86 ALA H H 1 8.26 0.01 . 1 . . . . . . . . 4385 1 747 . 1 1 86 86 ALA CA C 13 54.7 0.20 . 1 . . . . . . . . 4385 1 748 . 1 1 86 86 ALA HA H 1 4.28 0.01 . 1 . . . . . . . . 4385 1 749 . 1 1 86 86 ALA CB C 13 17.4 0.20 . 1 . . . . . . . . 4385 1 750 . 1 1 86 86 ALA HB1 H 1 1.54 0.01 . 1 . . . . . . . . 4385 1 751 . 1 1 86 86 ALA HB2 H 1 1.54 0.01 . 1 . . . . . . . . 4385 1 752 . 1 1 86 86 ALA HB3 H 1 1.54 0.01 . 1 . . . . . . . . 4385 1 753 . 1 1 86 86 ALA C C 13 181.0 0.10 . 1 . . . . . . . . 4385 1 754 . 1 1 87 87 ALA N N 15 122.6 0.25 . 1 . . . . . . . . 4385 1 755 . 1 1 87 87 ALA H H 1 8.22 0.01 . 1 . . . . . . . . 4385 1 756 . 1 1 87 87 ALA CA C 13 54.9 0.20 . 1 . . . . . . . . 4385 1 757 . 1 1 87 87 ALA HA H 1 3.98 0.01 . 1 . . . . . . . . 4385 1 758 . 1 1 87 87 ALA CB C 13 16.7 0.20 . 1 . . . . . . . . 4385 1 759 . 1 1 87 87 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . 4385 1 760 . 1 1 87 87 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . 4385 1 761 . 1 1 87 87 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . 4385 1 762 . 1 1 87 87 ALA C C 13 178.8 0.10 . 1 . . . . . . . . 4385 1 763 . 1 1 88 88 GLU N N 15 118.4 0.25 . 1 . . . . . . . . 4385 1 764 . 1 1 88 88 GLU H H 1 8.60 0.01 . 1 . . . . . . . . 4385 1 765 . 1 1 88 88 GLU CA C 13 60.3 0.20 . 1 . . . . . . . . 4385 1 766 . 1 1 88 88 GLU HA H 1 3.68 0.01 . 1 . . . . . . . . 4385 1 767 . 1 1 88 88 GLU CB C 13 29.7 0.20 . 1 . . . . . . . . 4385 1 768 . 1 1 88 88 GLU HB2 H 1 2.11 0.01 . 2 . . . . . . . . 4385 1 769 . 1 1 88 88 GLU HB3 H 1 2.01 0.01 . 2 . . . . . . . . 4385 1 770 . 1 1 88 88 GLU CG C 13 36.5 0.20 . 1 . . . . . . . . 4385 1 771 . 1 1 88 88 GLU HG2 H 1 2.28 0.01 . 2 . . . . . . . . 4385 1 772 . 1 1 88 88 GLU HG3 H 1 2.21 0.01 . 2 . . . . . . . . 4385 1 773 . 1 1 88 88 GLU C C 13 178.8 0.10 . 1 . . . . . . . . 4385 1 774 . 1 1 89 89 GLU N N 15 119.1 0.25 . 1 . . . . . . . . 4385 1 775 . 1 1 89 89 GLU H H 1 8.38 0.01 . 1 . . . . . . . . 4385 1 776 . 1 1 89 89 GLU CA C 13 59.0 0.20 . 1 . . . . . . . . 4385 1 777 . 1 1 89 89 GLU HA H 1 4.06 0.01 . 1 . . . . . . . . 4385 1 778 . 1 1 89 89 GLU CB C 13 29.0 0.20 . 1 . . . . . . . . 4385 1 779 . 1 1 89 89 GLU HB2 H 1 2.20 0.01 . 2 . . . . . . . . 4385 1 780 . 1 1 89 89 GLU HB3 H 1 2.14 0.01 . 2 . . . . . . . . 4385 1 781 . 1 1 89 89 GLU CG C 13 35.6 0.20 . 1 . . . . . . . . 4385 1 782 . 1 1 89 89 GLU HG2 H 1 2.44 0.01 . 2 . . . . . . . . 4385 1 783 . 1 1 89 89 GLU HG3 H 1 2.33 0.01 . 2 . . . . . . . . 4385 1 784 . 1 1 89 89 GLU C C 13 179.8 0.10 . 1 . . . . . . . . 4385 1 785 . 1 1 90 90 SER N N 15 115.4 0.25 . 1 . . . . . . . . 4385 1 786 . 1 1 90 90 SER H H 1 8.07 0.01 . 1 . . . . . . . . 4385 1 787 . 1 1 90 90 SER CA C 13 61.3 0.20 . 1 . . . . . . . . 4385 1 788 . 1 1 90 90 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 4385 1 789 . 1 1 90 90 SER CB C 13 63.0 0.20 . 1 . . . . . . . . 4385 1 790 . 1 1 90 90 SER HB2 H 1 4.09 0.01 . 2 . . . . . . . . 4385 1 791 . 1 1 90 90 SER HB3 H 1 3.97 0.01 . 2 . . . . . . . . 4385 1 792 . 1 1 90 90 SER C C 13 176.4 0.10 . 1 . . . . . . . . 4385 1 793 . 1 1 91 91 LEU N N 15 119.6 0.25 . 1 . . . . . . . . 4385 1 794 . 1 1 91 91 LEU H H 1 7.83 0.01 . 1 . . . . . . . . 4385 1 795 . 1 1 91 91 LEU CA C 13 55.6 0.20 . 1 . . . . . . . . 4385 1 796 . 1 1 91 91 LEU HA H 1 4.24 0.01 . 1 . . . . . . . . 4385 1 797 . 1 1 91 91 LEU CB C 13 41.4 0.20 . 1 . . . . . . . . 4385 1 798 . 1 1 91 91 LEU HB2 H 1 1.95 0.01 . 2 . . . . . . . . 4385 1 799 . 1 1 91 91 LEU HB3 H 1 1.86 0.01 . 2 . . . . . . . . 4385 1 800 . 1 1 91 91 LEU HG H 1 1.49 0.01 . 1 . . . . . . . . 4385 1 801 . 1 1 91 91 LEU HD11 H 1 0.86 0.01 . 2 . . . . . . . . 4385 1 802 . 1 1 91 91 LEU HD12 H 1 0.86 0.01 . 2 . . . . . . . . 4385 1 803 . 1 1 91 91 LEU HD13 H 1 0.86 0.01 . 2 . . . . . . . . 4385 1 804 . 1 1 91 91 LEU HD21 H 1 0.79 0.01 . 2 . . . . . . . . 4385 1 805 . 1 1 91 91 LEU HD22 H 1 0.79 0.01 . 2 . . . . . . . . 4385 1 806 . 1 1 91 91 LEU HD23 H 1 0.79 0.01 . 2 . . . . . . . . 4385 1 807 . 1 1 91 91 LEU C C 13 176.6 0.10 . 1 . . . . . . . . 4385 1 808 . 1 1 92 92 SER N N 15 111.9 0.25 . 1 . . . . . . . . 4385 1 809 . 1 1 92 92 SER H H 1 7.63 0.01 . 1 . . . . . . . . 4385 1 810 . 1 1 92 92 SER CA C 13 60.2 0.20 . 1 . . . . . . . . 4385 1 811 . 1 1 92 92 SER HA H 1 4.12 0.01 . 1 . . . . . . . . 4385 1 812 . 1 1 92 92 SER CB C 13 63.3 0.20 . 1 . . . . . . . . 4385 1 813 . 1 1 92 92 SER HB2 H 1 4.01 0.01 . 2 . . . . . . . . 4385 1 814 . 1 1 92 92 SER C C 13 175.3 0.10 . 1 . . . . . . . . 4385 1 815 . 1 1 93 93 GLY N N 15 109.0 0.25 . 1 . . . . . . . . 4385 1 816 . 1 1 93 93 GLY H H 1 7.97 0.01 . 1 . . . . . . . . 4385 1 817 . 1 1 93 93 GLY CA C 13 45.1 0.20 . 1 . . . . . . . . 4385 1 818 . 1 1 93 93 GLY HA2 H 1 4.13 0.01 . 2 . . . . . . . . 4385 1 819 . 1 1 93 93 GLY HA3 H 1 3.92 0.01 . 2 . . . . . . . . 4385 1 820 . 1 1 93 93 GLY C C 13 174.5 0.10 . 1 . . . . . . . . 4385 1 821 . 1 1 94 94 ILE N N 15 122.9 0.25 . 1 . . . . . . . . 4385 1 822 . 1 1 94 94 ILE H H 1 7.54 0.01 . 1 . . . . . . . . 4385 1 823 . 1 1 94 94 ILE CA C 13 62.0 0.20 . 1 . . . . . . . . 4385 1 824 . 1 1 94 94 ILE HA H 1 3.80 0.01 . 1 . . . . . . . . 4385 1 825 . 1 1 94 94 ILE CB C 13 38.0 0.20 . 1 . . . . . . . . 4385 1 826 . 1 1 94 94 ILE HB H 1 1.73 0.01 . 1 . . . . . . . . 4385 1 827 . 1 1 94 94 ILE CG2 C 13 17.2 0.20 . 2 . . . . . . . . 4385 1 828 . 1 1 94 94 ILE HG21 H 1 0.91 0.01 . 1 . . . . . . . . 4385 1 829 . 1 1 94 94 ILE HG22 H 1 0.91 0.01 . 1 . . . . . . . . 4385 1 830 . 1 1 94 94 ILE HG23 H 1 0.91 0.01 . 1 . . . . . . . . 4385 1 831 . 1 1 94 94 ILE CD1 C 13 14.9 0.20 . 1 . . . . . . . . 4385 1 832 . 1 1 94 94 ILE HD11 H 1 0.78 0.01 . 1 . . . . . . . . 4385 1 833 . 1 1 94 94 ILE HD12 H 1 0.78 0.01 . 1 . . . . . . . . 4385 1 834 . 1 1 94 94 ILE HD13 H 1 0.78 0.01 . 1 . . . . . . . . 4385 1 835 . 1 1 94 94 ILE C C 13 176.3 0.10 . 1 . . . . . . . . 4385 1 836 . 1 1 95 95 GLU N N 15 130.8 0.25 . 1 . . . . . . . . 4385 1 837 . 1 1 95 95 GLU H H 1 8.87 0.01 . 1 . . . . . . . . 4385 1 838 . 1 1 95 95 GLU CA C 13 57.8 0.20 . 1 . . . . . . . . 4385 1 839 . 1 1 95 95 GLU HA H 1 4.12 0.01 . 1 . . . . . . . . 4385 1 840 . 1 1 95 95 GLU CB C 13 29.0 0.20 . 1 . . . . . . . . 4385 1 841 . 1 1 95 95 GLU HB2 H 1 2.07 0.01 . 2 . . . . . . . . 4385 1 842 . 1 1 95 95 GLU CG C 13 35.9 0.20 . 1 . . . . . . . . 4385 1 843 . 1 1 95 95 GLU HG2 H 1 2.38 0.01 . 2 . . . . . . . . 4385 1 844 . 1 1 95 95 GLU C C 13 176.6 0.10 . 1 . . . . . . . . 4385 1 845 . 1 1 96 96 GLY N N 15 112.3 0.25 . 1 . . . . . . . . 4385 1 846 . 1 1 96 96 GLY H H 1 8.79 0.01 . 1 . . . . . . . . 4385 1 847 . 1 1 96 96 GLY CA C 13 44.7 0.20 . 1 . . . . . . . . 4385 1 848 . 1 1 96 96 GLY HA2 H 1 4.39 0.01 . 2 . . . . . . . . 4385 1 849 . 1 1 96 96 GLY HA3 H 1 3.71 0.01 . 2 . . . . . . . . 4385 1 850 . 1 1 96 96 GLY C C 13 173.9 0.10 . 1 . . . . . . . . 4385 1 851 . 1 1 97 97 VAL N N 15 120.7 0.25 . 1 . . . . . . . . 4385 1 852 . 1 1 97 97 VAL H H 1 7.60 0.01 . 1 . . . . . . . . 4385 1 853 . 1 1 97 97 VAL CA C 13 62.0 0.20 . 1 . . . . . . . . 4385 1 854 . 1 1 97 97 VAL HA H 1 4.23 0.01 . 1 . . . . . . . . 4385 1 855 . 1 1 97 97 VAL CB C 13 32.7 0.20 . 1 . . . . . . . . 4385 1 856 . 1 1 97 97 VAL HB H 1 2.23 0.01 . 1 . . . . . . . . 4385 1 857 . 1 1 97 97 VAL CG1 C 13 22.6 0.20 . 1 . . . . . . . . 4385 1 858 . 1 1 97 97 VAL HG11 H 1 0.89 0.01 . 2 . . . . . . . . 4385 1 859 . 1 1 97 97 VAL HG12 H 1 0.89 0.01 . 2 . . . . . . . . 4385 1 860 . 1 1 97 97 VAL HG13 H 1 0.89 0.01 . 2 . . . . . . . . 4385 1 861 . 1 1 97 97 VAL CG2 C 13 22.0 0.20 . 1 . . . . . . . . 4385 1 862 . 1 1 97 97 VAL HG21 H 1 0.77 0.01 . 2 . . . . . . . . 4385 1 863 . 1 1 97 97 VAL HG22 H 1 0.77 0.01 . 2 . . . . . . . . 4385 1 864 . 1 1 97 97 VAL HG23 H 1 0.77 0.01 . 2 . . . . . . . . 4385 1 865 . 1 1 97 97 VAL C C 13 176.2 0.10 . 1 . . . . . . . . 4385 1 866 . 1 1 98 98 SER N N 15 122.4 0.25 . 1 . . . . . . . . 4385 1 867 . 1 1 98 98 SER H H 1 9.25 0.01 . 1 . . . . . . . . 4385 1 868 . 1 1 98 98 SER CA C 13 58.5 0.20 . 1 . . . . . . . . 4385 1 869 . 1 1 98 98 SER HA H 1 4.65 0.01 . 1 . . . . . . . . 4385 1 870 . 1 1 98 98 SER CB C 13 64.2 0.20 . 1 . . . . . . . . 4385 1 871 . 1 1 98 98 SER HB2 H 1 3.82 0.01 . 2 . . . . . . . . 4385 1 872 . 1 1 98 98 SER HB3 H 1 3.68 0.01 . 2 . . . . . . . . 4385 1 873 . 1 1 98 98 SER C C 13 174.6 0.10 . 1 . . . . . . . . 4385 1 874 . 1 1 99 99 ASN N N 15 116.6 0.25 . 1 . . . . . . . . 4385 1 875 . 1 1 99 99 ASN H H 1 7.56 0.01 . 1 . . . . . . . . 4385 1 876 . 1 1 99 99 ASN CA C 13 53.1 0.20 . 1 . . . . . . . . 4385 1 877 . 1 1 99 99 ASN HA H 1 4.96 0.01 . 1 . . . . . . . . 4385 1 878 . 1 1 99 99 ASN CB C 13 41.6 0.20 . 1 . . . . . . . . 4385 1 879 . 1 1 99 99 ASN HB2 H 1 2.78 0.01 . 2 . . . . . . . . 4385 1 880 . 1 1 99 99 ASN HD21 H 1 7.56 0.01 . 2 . . . . . . . . 4385 1 881 . 1 1 99 99 ASN HD22 H 1 6.92 0.01 . 2 . . . . . . . . 4385 1 882 . 1 1 99 99 ASN C C 13 172.1 0.10 . 1 . . . . . . . . 4385 1 883 . 1 1 100 100 ILE N N 15 119.4 0.25 . 1 . . . . . . . . 4385 1 884 . 1 1 100 100 ILE H H 1 8.16 0.01 . 1 . . . . . . . . 4385 1 885 . 1 1 100 100 ILE CA C 13 58.7 0.20 . 1 . . . . . . . . 4385 1 886 . 1 1 100 100 ILE HA H 1 5.29 0.01 . 1 . . . . . . . . 4385 1 887 . 1 1 100 100 ILE CB C 13 40.5 0.20 . 1 . . . . . . . . 4385 1 888 . 1 1 100 100 ILE HB H 1 1.76 0.01 . 1 . . . . . . . . 4385 1 889 . 1 1 100 100 ILE CG2 C 13 18.9 0.20 . 2 . . . . . . . . 4385 1 890 . 1 1 100 100 ILE HG21 H 1 0.87 0.01 . 1 . . . . . . . . 4385 1 891 . 1 1 100 100 ILE HG22 H 1 0.87 0.01 . 1 . . . . . . . . 4385 1 892 . 1 1 100 100 ILE HG23 H 1 0.87 0.01 . 1 . . . . . . . . 4385 1 893 . 1 1 100 100 ILE CG1 C 13 26.7 0.20 . 2 . . . . . . . . 4385 1 894 . 1 1 100 100 ILE HG12 H 1 1.46 0.01 . 2 . . . . . . . . 4385 1 895 . 1 1 100 100 ILE HG13 H 1 1.13 0.01 . 2 . . . . . . . . 4385 1 896 . 1 1 100 100 ILE CD1 C 13 14.7 0.20 . 1 . . . . . . . . 4385 1 897 . 1 1 100 100 ILE HD11 H 1 0.73 0.01 . 1 . . . . . . . . 4385 1 898 . 1 1 100 100 ILE HD12 H 1 0.73 0.01 . 1 . . . . . . . . 4385 1 899 . 1 1 100 100 ILE HD13 H 1 0.73 0.01 . 1 . . . . . . . . 4385 1 900 . 1 1 100 100 ILE C C 13 174.9 0.10 . 1 . . . . . . . . 4385 1 901 . 1 1 101 101 GLU N N 15 123.3 0.25 . 1 . . . . . . . . 4385 1 902 . 1 1 101 101 GLU H H 1 8.54 0.01 . 1 . . . . . . . . 4385 1 903 . 1 1 101 101 GLU CA C 13 54.6 0.20 . 1 . . . . . . . . 4385 1 904 . 1 1 101 101 GLU HA H 1 4.70 0.01 . 1 . . . . . . . . 4385 1 905 . 1 1 101 101 GLU CB C 13 33.6 0.20 . 1 . . . . . . . . 4385 1 906 . 1 1 101 101 GLU HB2 H 1 1.92 0.01 . 2 . . . . . . . . 4385 1 907 . 1 1 101 101 GLU HB3 H 1 2.01 0.01 . 2 . . . . . . . . 4385 1 908 . 1 1 101 101 GLU HG2 H 1 2.24 0.01 . 2 . . . . . . . . 4385 1 909 . 1 1 101 101 GLU C C 13 174.6 0.10 . 1 . . . . . . . . 4385 1 910 . 1 1 102 102 VAL N N 15 127.7 0.25 . 1 . . . . . . . . 4385 1 911 . 1 1 102 102 VAL H H 1 9.16 0.01 . 1 . . . . . . . . 4385 1 912 . 1 1 102 102 VAL CA C 13 62.4 0.20 . 1 . . . . . . . . 4385 1 913 . 1 1 102 102 VAL HA H 1 4.58 0.01 . 1 . . . . . . . . 4385 1 914 . 1 1 102 102 VAL CB C 13 30.7 0.20 . 1 . . . . . . . . 4385 1 915 . 1 1 102 102 VAL HB H 1 2.11 0.01 . 1 . . . . . . . . 4385 1 916 . 1 1 102 102 VAL CG1 C 13 21.1 0.20 . 1 . . . . . . . . 4385 1 917 . 1 1 102 102 VAL HG11 H 1 0.91 0.01 . 1 . . . . . . . . 4385 1 918 . 1 1 102 102 VAL HG12 H 1 0.91 0.01 . 1 . . . . . . . . 4385 1 919 . 1 1 102 102 VAL HG13 H 1 0.91 0.01 . 1 . . . . . . . . 4385 1 920 . 1 1 102 102 VAL CG2 C 13 20.6 0.20 . 1 . . . . . . . . 4385 1 921 . 1 1 102 102 VAL HG21 H 1 0.91 0.01 . 1 . . . . . . . . 4385 1 922 . 1 1 102 102 VAL HG22 H 1 0.91 0.01 . 1 . . . . . . . . 4385 1 923 . 1 1 102 102 VAL HG23 H 1 0.91 0.01 . 1 . . . . . . . . 4385 1 924 . 1 1 102 102 VAL C C 13 177.0 0.10 . 1 . . . . . . . . 4385 1 925 . 1 1 103 103 THR N N 15 120.8 0.25 . 1 . . . . . . . . 4385 1 926 . 1 1 103 103 THR H H 1 8.89 0.01 . 1 . . . . . . . . 4385 1 927 . 1 1 103 103 THR CA C 13 61.8 0.20 . 1 . . . . . . . . 4385 1 928 . 1 1 103 103 THR HA H 1 4.48 0.01 . 1 . . . . . . . . 4385 1 929 . 1 1 103 103 THR CB C 13 69.0 0.20 . 1 . . . . . . . . 4385 1 930 . 1 1 103 103 THR HB H 1 4.29 0.01 . 1 . . . . . . . . 4385 1 931 . 1 1 103 103 THR CG2 C 13 22.3 0.20 . 1 . . . . . . . . 4385 1 932 . 1 1 103 103 THR HG21 H 1 1.18 0.01 . 1 . . . . . . . . 4385 1 933 . 1 1 103 103 THR HG22 H 1 1.18 0.01 . 1 . . . . . . . . 4385 1 934 . 1 1 103 103 THR HG23 H 1 1.18 0.01 . 1 . . . . . . . . 4385 1 935 . 1 1 103 103 THR C C 13 174.9 0.10 . 1 . . . . . . . . 4385 1 936 . 1 1 104 104 ASP N N 15 120.1 0.25 . 1 . . . . . . . . 4385 1 937 . 1 1 104 104 ASP H H 1 7.62 0.01 . 1 . . . . . . . . 4385 1 938 . 1 1 104 104 ASP CA C 13 54.6 0.20 . 1 . . . . . . . . 4385 1 939 . 1 1 104 104 ASP HA H 1 4.82 0.01 . 1 . . . . . . . . 4385 1 940 . 1 1 104 104 ASP CB C 13 44.3 0.20 . 1 . . . . . . . . 4385 1 941 . 1 1 104 104 ASP HB2 H 1 2.82 0.01 . 2 . . . . . . . . 4385 1 942 . 1 1 104 104 ASP HB3 H 1 2.48 0.01 . 2 . . . . . . . . 4385 1 943 . 1 1 104 104 ASP C C 13 173.8 0.10 . 1 . . . . . . . . 4385 1 944 . 1 1 105 105 VAL N N 15 122.8 0.25 . 1 . . . . . . . . 4385 1 945 . 1 1 105 105 VAL H H 1 8.03 0.01 . 1 . . . . . . . . 4385 1 946 . 1 1 105 105 VAL CA C 13 62.3 0.20 . 1 . . . . . . . . 4385 1 947 . 1 1 105 105 VAL HA H 1 4.71 0.01 . 1 . . . . . . . . 4385 1 948 . 1 1 105 105 VAL CB C 13 34.1 0.20 . 1 . . . . . . . . 4385 1 949 . 1 1 105 105 VAL HB H 1 1.97 0.01 . 1 . . . . . . . . 4385 1 950 . 1 1 105 105 VAL CG1 C 13 21.5 0.20 . 1 . . . . . . . . 4385 1 951 . 1 1 105 105 VAL HG11 H 1 0.93 0.01 . 2 . . . . . . . . 4385 1 952 . 1 1 105 105 VAL HG12 H 1 0.93 0.01 . 2 . . . . . . . . 4385 1 953 . 1 1 105 105 VAL HG13 H 1 0.93 0.01 . 2 . . . . . . . . 4385 1 954 . 1 1 105 105 VAL CG2 C 13 21.0 0.20 . 1 . . . . . . . . 4385 1 955 . 1 1 105 105 VAL HG21 H 1 0.83 0.01 . 2 . . . . . . . . 4385 1 956 . 1 1 105 105 VAL HG22 H 1 0.83 0.01 . 2 . . . . . . . . 4385 1 957 . 1 1 105 105 VAL HG23 H 1 0.83 0.01 . 2 . . . . . . . . 4385 1 958 . 1 1 105 105 VAL C C 13 174.9 0.10 . 1 . . . . . . . . 4385 1 959 . 1 1 106 106 ARG N N 15 125.0 0.25 . 1 . . . . . . . . 4385 1 960 . 1 1 106 106 ARG H H 1 8.80 0.01 . 1 . . . . . . . . 4385 1 961 . 1 1 106 106 ARG CA C 13 54.1 0.20 . 1 . . . . . . . . 4385 1 962 . 1 1 106 106 ARG HA H 1 4.84 0.01 . 1 . . . . . . . . 4385 1 963 . 1 1 106 106 ARG CB C 13 32.6 0.20 . 1 . . . . . . . . 4385 1 964 . 1 1 106 106 ARG HB2 H 1 2.00 0.01 . 2 . . . . . . . . 4385 1 965 . 1 1 106 106 ARG CG C 13 25.6 0.20 . 1 . . . . . . . . 4385 1 966 . 1 1 106 106 ARG HG2 H 1 1.78 0.01 . 2 . . . . . . . . 4385 1 967 . 1 1 106 106 ARG HG3 H 1 1.59 0.01 . 2 . . . . . . . . 4385 1 968 . 1 1 106 106 ARG CD C 13 43.1 0.20 . 1 . . . . . . . . 4385 1 969 . 1 1 106 106 ARG HD2 H 1 3.20 0.01 . 2 . . . . . . . . 4385 1 970 . 1 1 106 106 ARG C C 13 174.0 0.10 . 1 . . . . . . . . 4385 1 971 . 1 1 107 107 ARG N N 15 121.9 0.25 . 1 . . . . . . . . 4385 1 972 . 1 1 107 107 ARG H H 1 8.59 0.01 . 1 . . . . . . . . 4385 1 973 . 1 1 107 107 ARG CA C 13 55.5 0.20 . 1 . . . . . . . . 4385 1 974 . 1 1 107 107 ARG HA H 1 4.75 0.01 . 1 . . . . . . . . 4385 1 975 . 1 1 107 107 ARG CB C 13 30.7 0.20 . 1 . . . . . . . . 4385 1 976 . 1 1 107 107 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . 4385 1 977 . 1 1 107 107 ARG HB3 H 1 1.75 0.01 . 2 . . . . . . . . 4385 1 978 . 1 1 107 107 ARG CG C 13 27.4 0.20 . 1 . . . . . . . . 4385 1 979 . 1 1 107 107 ARG HG2 H 1 1.68 0.01 . 2 . . . . . . . . 4385 1 980 . 1 1 107 107 ARG HG3 H 1 1.58 0.01 . 2 . . . . . . . . 4385 1 981 . 1 1 107 107 ARG CD C 13 42.9 0.20 . 1 . . . . . . . . 4385 1 982 . 1 1 107 107 ARG HD2 H 1 3.27 0.01 . 2 . . . . . . . . 4385 1 983 . 1 1 107 107 ARG HD3 H 1 3.18 0.01 . 2 . . . . . . . . 4385 1 984 . 1 1 107 107 ARG C C 13 176.5 0.10 . 1 . . . . . . . . 4385 1 985 . 1 1 108 108 LEU N N 15 126.4 0.25 . 1 . . . . . . . . 4385 1 986 . 1 1 108 108 LEU H H 1 8.60 0.01 . 1 . . . . . . . . 4385 1 987 . 1 1 108 108 LEU CA C 13 55.2 0.20 . 1 . . . . . . . . 4385 1 988 . 1 1 108 108 LEU HA H 1 4.33 0.01 . 1 . . . . . . . . 4385 1 989 . 1 1 108 108 LEU CB C 13 41.8 0.20 . 1 . . . . . . . . 4385 1 990 . 1 1 108 108 LEU HB2 H 1 1.58 0.01 . 2 . . . . . . . . 4385 1 991 . 1 1 108 108 LEU CD1 C 13 24.7 0.20 . 2 . . . . . . . . 4385 1 992 . 1 1 108 108 LEU HD11 H 1 0.76 0.01 . 1 . . . . . . . . 4385 1 993 . 1 1 108 108 LEU HD12 H 1 0.76 0.01 . 1 . . . . . . . . 4385 1 994 . 1 1 108 108 LEU HD13 H 1 0.76 0.01 . 1 . . . . . . . . 4385 1 995 . 1 1 108 108 LEU CD2 C 13 23.6 0.20 . 2 . . . . . . . . 4385 1 996 . 1 1 108 108 LEU HD21 H 1 0.76 0.01 . 1 . . . . . . . . 4385 1 997 . 1 1 108 108 LEU HD22 H 1 0.76 0.01 . 1 . . . . . . . . 4385 1 998 . 1 1 108 108 LEU HD23 H 1 0.76 0.01 . 1 . . . . . . . . 4385 1 999 . 1 1 108 108 LEU C C 13 175.8 0.10 . 1 . . . . . . . . 4385 1 1000 . 1 1 109 109 MET N N 15 127.5 0.25 . 1 . . . . . . . . 4385 1 1001 . 1 1 109 109 MET H H 1 7.93 0.01 . 1 . . . . . . . . 4385 1 1002 . 1 1 109 109 MET CA C 13 56.5 0.20 . 1 . . . . . . . . 4385 1 1003 . 1 1 109 109 MET HA H 1 4.40 0.01 . 1 . . . . . . . . 4385 1 1004 . 1 1 109 109 MET CB C 13 34.1 0.20 . 1 . . . . . . . . 4385 1 1005 . 1 1 109 109 MET HB2 H 1 1.99 0.01 . 2 . . . . . . . . 4385 1 1006 . 1 1 109 109 MET HG2 H 1 2.56 0.01 . 2 . . . . . . . . 4385 1 1007 . 1 1 109 109 MET HG3 H 1 2.51 0.01 . 2 . . . . . . . . 4385 1 1008 . 1 1 109 109 MET HE1 H 1 2.15 0.01 . 1 . . . . . . . . 4385 1 1009 . 1 1 109 109 MET HE2 H 1 2.15 0.01 . 1 . . . . . . . . 4385 1 1010 . 1 1 109 109 MET HE3 H 1 2.15 0.01 . 1 . . . . . . . . 4385 1 stop_ save_