data_6355 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6355 _Entry.Title ; Solution Structure Of The Staphylococcus Epidermis Protein SE0936. Northest Strucutral Genomics Consortium Target SeR8. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-14 _Entry.Accession_date 2004-10-14 _Entry.Last_release_date 2006-04-06 _Entry.Original_release_date 2006-04-06 _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 M. Baran . C. . 6355 2 Y. Huang . P. . 6355 3 T. Acton . . . 6355 4 R. Xiao . . . 6355 5 G. Montelione . T. . 6355 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6355 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 573 6355 '13C chemical shifts' 348 6355 '15N chemical shifts' 82 6355 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 . . 2006-04-06 2004-10-14 original author . 6355 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6355 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure Of The Staphylococcus Epidermis Protein SE0936. Northest Strucutral Genomics Consortium Target SeR8. ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 M. Baran . C. . 6355 1 2 Y. Huang . P. . 6355 1 3 T. Acton . . . 6355 1 4 R. Xiao . . . 6355 1 5 G. Montelione . T. . 6355 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Alpha-beta 6355 1 NifU-like 6355 1 'Structural Genomics' 6355 1 'Protein Structure Initiative' 6355 1 NESG 6355 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SE0936 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SE0936 _Assembly.Entry_ID 6355 _Assembly.ID 1 _Assembly.Name SE0936 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6355 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 SE0936 1 $SE0936 . . . native . . . . . 6355 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID SE0936 system 6355 1 SE0936 abbreviation 6355 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SE0936 _Entity.Sf_category entity _Entity.Sf_framecode SE0936 _Entity.Entry_ID 6355 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SE0936 _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 ; MPTENPTMFDQVAEVIERLR PFLLRDGGDCTLVDVEDGIV KLQLHGACGTCPSSTITLKA GIERALHEEVPGVIEVEQVF LEHHHHHH ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1XHJ . "Solution Structure Of The Staphylococcus Epidermidis Protein Se0630. Northest Structural Genomics Consortium Target Ser8" . . . . . 100.00 88 100.00 100.00 1.20e-55 . . . . 6355 1 2 no DBJ BAE05324 . "nitrogen fixation protein NifU [Staphylococcus haemolyticus JCSC1435]" . . . . . 90.91 80 98.75 98.75 1.39e-48 . . . . 6355 1 3 no EMBL CCB54437 . "conserved hypothetical protein [Staphylococcus lugdunensis N920143]" . . . . . 90.91 80 98.75 98.75 1.39e-48 . . . . 6355 1 4 no EMBL CDI72254 . "NifU-like protein [Staphylococcus capitis CR01]" . . . . . 90.91 80 98.75 98.75 1.39e-48 . . . . 6355 1 5 no EMBL CDM13169 . "nitrogen-fixing NifU domain protein [Staphylococcus epidermidis PM221]" . . . . . 90.91 80 100.00 100.00 1.59e-49 . . . . 6355 1 6 no GB AAO04227 . "nitrogen fixation protein NifU [Staphylococcus epidermidis ATCC 12228]" . . . . . 90.91 80 100.00 100.00 1.59e-49 . . . . 6355 1 7 no GB AAW37908 . "NifU domain protein [Staphylococcus aureus subsp. aureus COL]" . . . . . 82.95 73 97.26 100.00 6.23e-43 . . . . 6355 1 8 no GB AAW53911 . "NifU domain protein [Staphylococcus epidermidis RP62A]" . . . . . 90.91 80 100.00 100.00 1.59e-49 . . . . 6355 1 9 no GB ADC88025 . "nitrogen-fixing NifU domain protein [Staphylococcus lugdunensis HKU09-01]" . . . . . 90.91 80 98.75 98.75 1.39e-48 . . . . 6355 1 10 no GB AGC91125 . "hypothetical protein A284_09050 [Staphylococcus warneri SG1]" . . . . . 90.91 80 98.75 98.75 1.39e-48 . . . . 6355 1 11 no REF NP_764185 . "nitrogen fixation protein NifU [Staphylococcus epidermidis ATCC 12228]" . . . . . 90.91 80 100.00 100.00 1.59e-49 . . . . 6355 1 12 no REF WP_001831958 . "MULTISPECIES: nitrogen-fixing protein NifU [Staphylococcus]" . . . . . 90.91 80 100.00 100.00 1.59e-49 . . . . 6355 1 13 no REF WP_002433501 . "MULTISPECIES: nitrogen-fixing protein NifU [Staphylococcus]" . . . . . 90.91 80 98.75 98.75 1.39e-48 . . . . 6355 1 14 no REF WP_002456117 . "nitrogen-fixing protein NifU [Staphylococcus epidermidis]" . . . . . 90.91 80 98.75 98.75 1.48e-48 . . . . 6355 1 15 no REF WP_010956550 . "nitrogen-fixing protein NifU [Staphylococcus aureus]" . . . . . 82.95 73 97.26 100.00 6.23e-43 . . . . 6355 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SE0936 common 6355 1 SE0936 abbreviation 6355 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 . 6355 1 2 . PRO . 6355 1 3 . THR . 6355 1 4 . GLU . 6355 1 5 . ASN . 6355 1 6 . PRO . 6355 1 7 . THR . 6355 1 8 . MET . 6355 1 9 . PHE . 6355 1 10 . ASP . 6355 1 11 . GLN . 6355 1 12 . VAL . 6355 1 13 . ALA . 6355 1 14 . GLU . 6355 1 15 . VAL . 6355 1 16 . ILE . 6355 1 17 . GLU . 6355 1 18 . ARG . 6355 1 19 . LEU . 6355 1 20 . ARG . 6355 1 21 . PRO . 6355 1 22 . PHE . 6355 1 23 . LEU . 6355 1 24 . LEU . 6355 1 25 . ARG . 6355 1 26 . ASP . 6355 1 27 . GLY . 6355 1 28 . GLY . 6355 1 29 . ASP . 6355 1 30 . CYS . 6355 1 31 . THR . 6355 1 32 . LEU . 6355 1 33 . VAL . 6355 1 34 . ASP . 6355 1 35 . VAL . 6355 1 36 . GLU . 6355 1 37 . ASP . 6355 1 38 . GLY . 6355 1 39 . ILE . 6355 1 40 . VAL . 6355 1 41 . LYS . 6355 1 42 . LEU . 6355 1 43 . GLN . 6355 1 44 . LEU . 6355 1 45 . HIS . 6355 1 46 . GLY . 6355 1 47 . ALA . 6355 1 48 . CYS . 6355 1 49 . GLY . 6355 1 50 . THR . 6355 1 51 . CYS . 6355 1 52 . PRO . 6355 1 53 . SER . 6355 1 54 . SER . 6355 1 55 . THR . 6355 1 56 . ILE . 6355 1 57 . THR . 6355 1 58 . LEU . 6355 1 59 . LYS . 6355 1 60 . ALA . 6355 1 61 . GLY . 6355 1 62 . ILE . 6355 1 63 . GLU . 6355 1 64 . ARG . 6355 1 65 . ALA . 6355 1 66 . LEU . 6355 1 67 . HIS . 6355 1 68 . GLU . 6355 1 69 . GLU . 6355 1 70 . VAL . 6355 1 71 . PRO . 6355 1 72 . GLY . 6355 1 73 . VAL . 6355 1 74 . ILE . 6355 1 75 . GLU . 6355 1 76 . VAL . 6355 1 77 . GLU . 6355 1 78 . GLN . 6355 1 79 . VAL . 6355 1 80 . PHE . 6355 1 81 . LEU . 6355 1 82 . GLU . 6355 1 83 . HIS . 6355 1 84 . HIS . 6355 1 85 . HIS . 6355 1 86 . HIS . 6355 1 87 . HIS . 6355 1 88 . HIS . 6355 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 6355 1 . PRO 2 2 6355 1 . THR 3 3 6355 1 . GLU 4 4 6355 1 . ASN 5 5 6355 1 . PRO 6 6 6355 1 . THR 7 7 6355 1 . MET 8 8 6355 1 . PHE 9 9 6355 1 . ASP 10 10 6355 1 . GLN 11 11 6355 1 . VAL 12 12 6355 1 . ALA 13 13 6355 1 . GLU 14 14 6355 1 . VAL 15 15 6355 1 . ILE 16 16 6355 1 . GLU 17 17 6355 1 . ARG 18 18 6355 1 . LEU 19 19 6355 1 . ARG 20 20 6355 1 . PRO 21 21 6355 1 . PHE 22 22 6355 1 . LEU 23 23 6355 1 . LEU 24 24 6355 1 . ARG 25 25 6355 1 . ASP 26 26 6355 1 . GLY 27 27 6355 1 . GLY 28 28 6355 1 . ASP 29 29 6355 1 . CYS 30 30 6355 1 . THR 31 31 6355 1 . LEU 32 32 6355 1 . VAL 33 33 6355 1 . ASP 34 34 6355 1 . VAL 35 35 6355 1 . GLU 36 36 6355 1 . ASP 37 37 6355 1 . GLY 38 38 6355 1 . ILE 39 39 6355 1 . VAL 40 40 6355 1 . LYS 41 41 6355 1 . LEU 42 42 6355 1 . GLN 43 43 6355 1 . LEU 44 44 6355 1 . HIS 45 45 6355 1 . GLY 46 46 6355 1 . ALA 47 47 6355 1 . CYS 48 48 6355 1 . GLY 49 49 6355 1 . THR 50 50 6355 1 . CYS 51 51 6355 1 . PRO 52 52 6355 1 . SER 53 53 6355 1 . SER 54 54 6355 1 . THR 55 55 6355 1 . ILE 56 56 6355 1 . THR 57 57 6355 1 . LEU 58 58 6355 1 . LYS 59 59 6355 1 . ALA 60 60 6355 1 . GLY 61 61 6355 1 . ILE 62 62 6355 1 . GLU 63 63 6355 1 . ARG 64 64 6355 1 . ALA 65 65 6355 1 . LEU 66 66 6355 1 . HIS 67 67 6355 1 . GLU 68 68 6355 1 . GLU 69 69 6355 1 . VAL 70 70 6355 1 . PRO 71 71 6355 1 . GLY 72 72 6355 1 . VAL 73 73 6355 1 . ILE 74 74 6355 1 . GLU 75 75 6355 1 . VAL 76 76 6355 1 . GLU 77 77 6355 1 . GLN 78 78 6355 1 . VAL 79 79 6355 1 . PHE 80 80 6355 1 . LEU 81 81 6355 1 . GLU 82 82 6355 1 . HIS 83 83 6355 1 . HIS 84 84 6355 1 . HIS 85 85 6355 1 . HIS 86 86 6355 1 . HIS 87 87 6355 1 . HIS 88 88 6355 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 6355 _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 $SE0936 . 1282 organism . 'Staphylococcus epidermidis' 'Staphylococcus epidermidis' . . Bacteria . Staphylococcus epidermidis . . . . . . . . . . . . . . . . . . . . . 6355 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 6355 _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 $SE0936 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6355 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6355 _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 SE0936 '[U-5% 13C; U-100% 15N]' . . 1 $SE0936 . . 8 . . mM . . . . 6355 1 2 NaN3 . . . . . . . 0.02 . . % . . . . 6355 1 3 DTT . . . . . . . 10 . . mM . . . . 6355 1 4 CaCl2 . . . . . . . 5 . . mM . . . . 6355 1 5 NaCl . . . . . . . 100 . . mM . . . . 6355 1 6 MES . . . . . . . 20 . . mM . . . . 6355 1 7 D2O . . . . . . . 5 . . % . . . . 6355 1 8 H20 . . . . . . . 95 . . % . . . . 6355 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6355 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SE0936 '[U-100% 13C; U-100% 15N]' . . 1 $SE0936 . . 8 . . mM . . . . 6355 2 2 NaN3 . . . . . . . 0.02 . . % . . . . 6355 2 3 DTT . . . . . . . 10 . . mM . . . . 6355 2 4 CaCl2 . . . . . . . 5 . . mM . . . . 6355 2 5 NaCl . . . . . . . 100 . . mM . . . . 6355 2 6 MES . . . . . . . 20 . . mM . . . . 6355 2 7 D2O . . . . . . . 5 . . % . . . . 6355 2 8 H20 . . . . . . . 95 . . % . . . . 6355 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6355 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 6355 1 temperature 293 . K 6355 1 'ionic strength' 100 . mM 6355 1 pressure 1 . atm 6355 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6355 _Software.ID 1 _Software.Name X-PLOR _Software.Version 2.9.7 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6355 1 refinement 6355 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6355 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6355 2 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 6355 _Software.ID 3 _Software.Name AutoAssign _Software.Version 1.14 _Software.Details 'Zimmerman, Moseley, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6355 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 6355 _Software.ID 4 _Software.Name AutoStructure _Software.Version 2.0 _Software.Details 'Huang, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6355 4 stop_ save_ save_SPINS _Software.Sf_category software _Software.Sf_framecode SPINS _Software.Entry_ID 6355 _Software.ID 5 _Software.Name SPINS _Software.Version 5.0 _Software.Details 'Baran, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6355 5 stop_ save_ save_HYPER _Software.Sf_category software _Software.Sf_framecode HYPER _Software.Entry_ID 6355 _Software.ID 6 _Software.Name HYPER _Software.Version 3.2 _Software.Details 'Tejero, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6355 6 stop_ save_ save_sparky _Software.Sf_category software _Software.Sf_framecode sparky _Software.Entry_ID 6355 _Software.ID 7 _Software.Name sparky _Software.Version 3.106 _Software.Details Goddard loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6355 7 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6355 _Software.ID 8 _Software.Name VNMR _Software.Version 6.1 _Software.Details varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6355 8 stop_ save_ save_xwin-nmr _Software.Sf_category software _Software.Sf_framecode xwin-nmr _Software.Entry_ID 6355 _Software.ID 9 _Software.Name xwin-nmr _Software.Version . _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6355 9 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6355 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6355 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 800 . . . 6355 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 6355 _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 C13-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6355 1 2 NH-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6355 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6355 1 4 HNCAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6355 1 5 N15-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6355 1 6 C13-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6355 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 6355 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name C13-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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6355 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name NH-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 6355 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6355 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCAB _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 6355 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name N15-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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6355 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name C13-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6355 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 external cylindrical parallel . . . . . . 6355 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect . external cylindrical parallel . . . . . . 6355 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect . external cylindrical parallel . . . . . . 6355 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6355 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 C13-HSQC 1 $sample_1 . 6355 1 2 NH-HSQC 1 $sample_1 . 6355 1 3 HNCO 1 $sample_1 . 6355 1 4 HNCAB 1 $sample_1 . 6355 1 5 N15-NOESY 1 $sample_1 . 6355 1 6 C13-NOESY 1 $sample_1 . 6355 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 2 2 PRO HA H 1 4.483 0.02 . 1 . . . . . . . . 6355 1 2 . 1 1 2 2 PRO HB2 H 1 2.492 0.02 . 2 . . . . . . . . 6355 1 3 . 1 1 2 2 PRO HB3 H 1 2.098 0.02 . 2 . . . . . . . . 6355 1 4 . 1 1 2 2 PRO HG2 H 1 2.066 0.02 . 2 . . . . . . . . 6355 1 5 . 1 1 2 2 PRO HG3 H 1 2.064 0.02 . 2 . . . . . . . . 6355 1 6 . 1 1 2 2 PRO HD2 H 1 3.439 0.02 . 2 . . . . . . . . 6355 1 7 . 1 1 2 2 PRO HD3 H 1 3.423 0.02 . 2 . . . . . . . . 6355 1 8 . 1 1 2 2 PRO CA C 13 62.761 0.1 . 1 . . . . . . . . 6355 1 9 . 1 1 2 2 PRO CB C 13 32.769 0.1 . 1 . . . . . . . . 6355 1 10 . 1 1 2 2 PRO CG C 13 26.780 0.1 . 1 . . . . . . . . 6355 1 11 . 1 1 2 2 PRO CD C 13 49.622 0.1 . 1 . . . . . . . . 6355 1 12 . 1 1 3 3 THR HA H 1 4.370 0.02 . 1 . . . . . . . . 6355 1 13 . 1 1 3 3 THR HB H 1 4.308 0.02 . 1 . . . . . . . . 6355 1 14 . 1 1 3 3 THR HG21 H 1 1.227 0.02 . 1 . . . . . . . . 6355 1 15 . 1 1 3 3 THR HG22 H 1 1.227 0.02 . 1 . . . . . . . . 6355 1 16 . 1 1 3 3 THR HG23 H 1 1.227 0.02 . 1 . . . . . . . . 6355 1 17 . 1 1 3 3 THR CA C 13 62.708 0.1 . 1 . . . . . . . . 6355 1 18 . 1 1 3 3 THR CB C 13 70.1440 0.1 . 1 . . . . . . . . 6355 1 19 . 1 1 3 3 THR CG2 C 13 22.087 0.1 . 1 . . . . . . . . 6355 1 20 . 1 1 4 4 GLU H H 1 8.677 0.02 . 1 . . . . . . . . 6355 1 21 . 1 1 4 4 GLU HA H 1 4.211 0.02 . 1 . . . . . . . . 6355 1 22 . 1 1 4 4 GLU HB2 H 1 1.932 0.02 . 2 . . . . . . . . 6355 1 23 . 1 1 4 4 GLU HB3 H 1 1.882 0.02 . 2 . . . . . . . . 6355 1 24 . 1 1 4 4 GLU HG2 H 1 2.156 0.02 . 2 . . . . . . . . 6355 1 25 . 1 1 4 4 GLU HG3 H 1 2.225 0.02 . 2 . . . . . . . . 6355 1 26 . 1 1 4 4 GLU C C 13 175.800 0.1 . 1 . . . . . . . . 6355 1 27 . 1 1 4 4 GLU CA C 13 56.861 0.1 . 1 . . . . . . . . 6355 1 28 . 1 1 4 4 GLU CB C 13 30.604 0.1 . 1 . . . . . . . . 6355 1 29 . 1 1 4 4 GLU CG C 13 36.358 0.1 . 1 . . . . . . . . 6355 1 30 . 1 1 4 4 GLU N N 15 123.807 0.1 . 1 . . . . . . . . 6355 1 31 . 1 1 5 5 ASN H H 1 8.613 0.02 . 1 . . . . . . . . 6355 1 32 . 1 1 5 5 ASN HA H 1 4.988 0.02 . 1 . . . . . . . . 6355 1 33 . 1 1 5 5 ASN HB3 H 1 2.819 0.02 . 1 . . . . . . . . 6355 1 34 . 1 1 5 5 ASN HB2 H 1 2.721 0.02 . 1 . . . . . . . . 6355 1 35 . 1 1 5 5 ASN HD21 H 1 7.705 0.02 . 1 . . . . . . . . 6355 1 36 . 1 1 5 5 ASN HD22 H 1 6.980 0.02 . 1 . . . . . . . . 6355 1 37 . 1 1 5 5 ASN CA C 13 51.801 0.1 . 1 . . . . . . . . 6355 1 38 . 1 1 5 5 ASN CB C 13 39.035 0.1 . 1 . . . . . . . . 6355 1 39 . 1 1 5 5 ASN N N 15 119.624 0.1 . 1 . . . . . . . . 6355 1 40 . 1 1 5 5 ASN ND2 N 15 113.5 0.1 . 1 . . . . . . . . 6355 1 41 . 1 1 6 6 PRO HA H 1 4.63 0.02 . 1 . . . . . . . . 6355 1 42 . 1 1 6 6 PRO HB2 H 1 2.374 0.02 . 2 . . . . . . . . 6355 1 43 . 1 1 6 6 PRO HB3 H 1 1.996 0.02 . 2 . . . . . . . . 6355 1 44 . 1 1 6 6 PRO HG2 H 1 2.071 0.02 . 2 . . . . . . . . 6355 1 45 . 1 1 6 6 PRO HG3 H 1 2.060 0.02 . 2 . . . . . . . . 6355 1 46 . 1 1 6 6 PRO HD2 H 1 3.724 0.02 . 2 . . . . . . . . 6355 1 47 . 1 1 6 6 PRO HD3 H 1 3.728 0.02 . 2 . . . . . . . . 6355 1 48 . 1 1 6 6 PRO C C 13 177.800 0.1 . 1 . . . . . . . . 6355 1 49 . 1 1 6 6 PRO CA C 13 63.559 0.1 . 1 . . . . . . . . 6355 1 50 . 1 1 6 6 PRO CB C 13 32.429 0.1 . 1 . . . . . . . . 6355 1 51 . 1 1 6 6 PRO CG C 13 27.671 0.1 . 1 . . . . . . . . 6355 1 52 . 1 1 6 6 PRO CD C 13 51.020 0.1 . 1 . . . . . . . . 6355 1 53 . 1 1 7 7 THR H H 1 8.751 0.02 . 1 . . . . . . . . 6355 1 54 . 1 1 7 7 THR HA H 1 4.454 0.02 . 1 . . . . . . . . 6355 1 55 . 1 1 7 7 THR HB H 1 4.658 0.02 . 1 . . . . . . . . 6355 1 56 . 1 1 7 7 THR HG21 H 1 1.402 0.02 . 1 . . . . . . . . 6355 1 57 . 1 1 7 7 THR HG22 H 1 1.402 0.02 . 1 . . . . . . . . 6355 1 58 . 1 1 7 7 THR HG23 H 1 1.402 0.02 . 1 . . . . . . . . 6355 1 59 . 1 1 7 7 THR C C 13 175.600 0.1 . 1 . . . . . . . . 6355 1 60 . 1 1 7 7 THR CA C 13 61.908 0.1 . 1 . . . . . . . . 6355 1 61 . 1 1 7 7 THR CB C 13 71.144 0.1 . 1 . . . . . . . . 6355 1 62 . 1 1 7 7 THR CG2 C 13 22.270 0.1 . 1 . . . . . . . . 6355 1 63 . 1 1 7 7 THR N N 15 113.829 0.1 . 1 . . . . . . . . 6355 1 64 . 1 1 8 8 MET H H 1 8.763 0.02 . 1 . . . . . . . . 6355 1 65 . 1 1 8 8 MET HA H 1 4.162 0.02 . 1 . . . . . . . . 6355 1 66 . 1 1 8 8 MET HB2 H 1 2.528 0.02 . 2 . . . . . . . . 6355 1 67 . 1 1 8 8 MET HB3 H 1 2.328 0.02 . 2 . . . . . . . . 6355 1 68 . 1 1 8 8 MET HG2 H 1 1.876 0.02 . 2 . . . . . . . . 6355 1 69 . 1 1 8 8 MET HG3 H 1 1.880 0.02 . 2 . . . . . . . . 6355 1 70 . 1 1 8 8 MET C C 13 178.100 0.1 . 1 . . . . . . . . 6355 1 71 . 1 1 8 8 MET CA C 13 59.779 0.1 . 1 . . . . . . . . 6355 1 72 . 1 1 8 8 MET CB C 13 32.696 0.1 . 1 . . . . . . . . 6355 1 73 . 1 1 8 8 MET N N 15 121.919 0.1 . 1 . . . . . . . . 6355 1 74 . 1 1 9 9 PHE H H 1 8.561 0.02 . 1 . . . . . . . . 6355 1 75 . 1 1 9 9 PHE HA H 1 3.745 0.02 . 1 . . . . . . . . 6355 1 76 . 1 1 9 9 PHE HB2 H 1 3.140 0.02 . 1 . . . . . . . . 6355 1 77 . 1 1 9 9 PHE HB3 H 1 3.140 0.02 . 1 . . . . . . . . 6355 1 78 . 1 1 9 9 PHE C C 13 176.100 0.1 . 1 . . . . . . . . 6355 1 79 . 1 1 9 9 PHE CA C 13 62.766 0.1 . 1 . . . . . . . . 6355 1 80 . 1 1 9 9 PHE CB C 13 39.675 0.1 . 1 . . . . . . . . 6355 1 81 . 1 1 9 9 PHE N N 15 118.824 0.1 . 1 . . . . . . . . 6355 1 82 . 1 1 9 9 PHE CD1 C 13 132.15 0.1 . 1 . . . . . . . . 6355 1 83 . 1 1 9 9 PHE CD2 C 13 132.15 0.1 . 1 . . . . . . . . 6355 1 84 . 1 1 9 9 PHE CE1 C 13 131.7 0.1 . 1 . . . . . . . . 6355 1 85 . 1 1 9 9 PHE CE2 C 13 131.7 0.1 . 1 . . . . . . . . 6355 1 86 . 1 1 9 9 PHE CZ C 13 131.5 0.1 . 1 . . . . . . . . 6355 1 87 . 1 1 9 9 PHE HE1 H 1 7.222 0.02 . 1 . . . . . . . . 6355 1 88 . 1 1 9 9 PHE HE2 H 1 7.222 0.02 . 1 . . . . . . . . 6355 1 89 . 1 1 9 9 PHE HZ H 1 7.197 0.02 . 1 . . . . . . . . 6355 1 90 . 1 1 9 9 PHE HD1 H 1 7.214 0.02 . 1 . . . . . . . . 6355 1 91 . 1 1 9 9 PHE HD2 H 1 7.214 0.02 . 1 . . . . . . . . 6355 1 92 . 1 1 10 10 ASP H H 1 7.844 0.02 . 1 . . . . . . . . 6355 1 93 . 1 1 10 10 ASP HA H 1 4.382 0.02 . 1 . . . . . . . . 6355 1 94 . 1 1 10 10 ASP HB2 H 1 2.906 0.02 . 2 . . . . . . . . 6355 1 95 . 1 1 10 10 ASP HB3 H 1 2.764 0.02 . 2 . . . . . . . . 6355 1 96 . 1 1 10 10 ASP C C 13 179.400 0.1 . 1 . . . . . . . . 6355 1 97 . 1 1 10 10 ASP CA C 13 57.741 0.1 . 1 . . . . . . . . 6355 1 98 . 1 1 10 10 ASP CB C 13 40.752 0.1 . 1 . . . . . . . . 6355 1 99 . 1 1 10 10 ASP N N 15 118.215 0.1 . 1 . . . . . . . . 6355 1 100 . 1 1 11 11 GLN H H 1 8.232 0.02 . 1 . . . . . . . . 6355 1 101 . 1 1 11 11 GLN HA H 1 4.12 0.02 . 1 . . . . . . . . 6355 1 102 . 1 1 11 11 GLN HB2 H 1 2.11 0.02 . 2 . . . . . . . . 6355 1 103 . 1 1 11 11 GLN HB3 H 1 2.258 0.02 . 2 . . . . . . . . 6355 1 104 . 1 1 11 11 GLN HG3 H 1 2.28 0.02 . 1 . . . . . . . . 6355 1 105 . 1 1 11 11 GLN HG2 H 1 2.54 0.02 . 1 . . . . . . . . 6355 1 106 . 1 1 11 11 GLN HE21 H 1 6.713 0.02 . 1 . . . . . . . . 6355 1 107 . 1 1 11 11 GLN HE22 H 1 7.262 0.02 . 1 . . . . . . . . 6355 1 108 . 1 1 11 11 GLN C C 13 179.200 0.1 . 1 . . . . . . . . 6355 1 109 . 1 1 11 11 GLN CA C 13 59.40 0.1 . 1 . . . . . . . . 6355 1 110 . 1 1 11 11 GLN CB C 13 30.13 0.1 . 1 . . . . . . . . 6355 1 111 . 1 1 11 11 GLN CG C 13 34.84 0.1 . 1 . . . . . . . . 6355 1 112 . 1 1 11 11 GLN N N 15 119.813 0.1 . 1 . . . . . . . . 6355 1 113 . 1 1 11 11 GLN NE2 N 15 110.627 0.1 . 1 . . . . . . . . 6355 1 114 . 1 1 12 12 VAL H H 1 8.410 0.02 . 1 . . . . . . . . 6355 1 115 . 1 1 12 12 VAL HA H 1 3.359 0.02 . 1 . . . . . . . . 6355 1 116 . 1 1 12 12 VAL HB H 1 2.062 0.02 . 1 . . . . . . . . 6355 1 117 . 1 1 12 12 VAL HG11 H 1 0.783 0.02 . 2 . . . . . . . . 6355 1 118 . 1 1 12 12 VAL HG12 H 1 0.783 0.02 . 2 . . . . . . . . 6355 1 119 . 1 1 12 12 VAL HG13 H 1 0.783 0.02 . 2 . . . . . . . . 6355 1 120 . 1 1 12 12 VAL HG21 H 1 0.979 0.02 . 2 . . . . . . . . 6355 1 121 . 1 1 12 12 VAL HG22 H 1 0.979 0.02 . 2 . . . . . . . . 6355 1 122 . 1 1 12 12 VAL HG23 H 1 0.979 0.02 . 2 . . . . . . . . 6355 1 123 . 1 1 12 12 VAL C C 13 177.319 0.1 . 1 . . . . . . . . 6355 1 124 . 1 1 12 12 VAL CA C 13 66.640 0.1 . 1 . . . . . . . . 6355 1 125 . 1 1 12 12 VAL CB C 13 31.751 0.1 . 1 . . . . . . . . 6355 1 126 . 1 1 12 12 VAL CG1 C 13 21.160 0.1 . 1 . . . . . . . . 6355 1 127 . 1 1 12 12 VAL CG2 C 13 21.160 0.1 . 1 . . . . . . . . 6355 1 128 . 1 1 12 12 VAL N N 15 120.007 0.1 . 1 . . . . . . . . 6355 1 129 . 1 1 13 13 ALA H H 1 8.701 0.02 . 1 . . . . . . . . 6355 1 130 . 1 1 13 13 ALA HA H 1 3.681 0.02 . 1 . . . . . . . . 6355 1 131 . 1 1 13 13 ALA HB1 H 1 1.309 0.02 . 1 . . . . . . . . 6355 1 132 . 1 1 13 13 ALA HB2 H 1 1.309 0.02 . 1 . . . . . . . . 6355 1 133 . 1 1 13 13 ALA HB3 H 1 1.309 0.02 . 1 . . . . . . . . 6355 1 134 . 1 1 13 13 ALA C C 13 180.100 0.1 . 1 . . . . . . . . 6355 1 135 . 1 1 13 13 ALA CA C 13 55.993 0.1 . 1 . . . . . . . . 6355 1 136 . 1 1 13 13 ALA CB C 13 17.976 0.1 . 1 . . . . . . . . 6355 1 137 . 1 1 13 13 ALA N N 15 121.979 0.1 . 1 . . . . . . . . 6355 1 138 . 1 1 14 14 GLU H H 1 7.704 0.02 . 1 . . . . . . . . 6355 1 139 . 1 1 14 14 GLU HA H 1 4.037 0.02 . 1 . . . . . . . . 6355 1 140 . 1 1 14 14 GLU HB2 H 1 2.138 0.02 . 2 . . . . . . . . 6355 1 141 . 1 1 14 14 GLU HB3 H 1 2.137 0.02 . 2 . . . . . . . . 6355 1 142 . 1 1 14 14 GLU HG2 H 1 2.449 0.02 . 1 . . . . . . . . 6355 1 143 . 1 1 14 14 GLU HG3 H 1 2.449 0.02 . 1 . . . . . . . . 6355 1 144 . 1 1 14 14 GLU C C 13 178.900 0.1 . 1 . . . . . . . . 6355 1 145 . 1 1 14 14 GLU CA C 13 59.670 0.1 . 1 . . . . . . . . 6355 1 146 . 1 1 14 14 GLU CB C 13 29.631 0.1 . 1 . . . . . . . . 6355 1 147 . 1 1 14 14 GLU CG C 13 36.396 0.1 . 1 . . . . . . . . 6355 1 148 . 1 1 14 14 GLU N N 15 117.209 0.1 . 1 . . . . . . . . 6355 1 149 . 1 1 15 15 VAL H H 1 7.371 0.02 . 1 . . . . . . . . 6355 1 150 . 1 1 15 15 VAL HA H 1 3.546 0.02 . 1 . . . . . . . . 6355 1 151 . 1 1 15 15 VAL HB H 1 2.075 0.02 . 1 . . . . . . . . 6355 1 152 . 1 1 15 15 VAL HG11 H 1 0.979 0.02 . 2 . . . . . . . . 6355 1 153 . 1 1 15 15 VAL HG12 H 1 0.979 0.02 . 2 . . . . . . . . 6355 1 154 . 1 1 15 15 VAL HG13 H 1 0.979 0.02 . 2 . . . . . . . . 6355 1 155 . 1 1 15 15 VAL HG21 H 1 0.785 0.02 . 2 . . . . . . . . 6355 1 156 . 1 1 15 15 VAL HG22 H 1 0.785 0.02 . 2 . . . . . . . . 6355 1 157 . 1 1 15 15 VAL HG23 H 1 0.785 0.02 . 2 . . . . . . . . 6355 1 158 . 1 1 15 15 VAL C C 13 178.200 0.1 . 1 . . . . . . . . 6355 1 159 . 1 1 15 15 VAL CA C 13 66.844 0.1 . 1 . . . . . . . . 6355 1 160 . 1 1 15 15 VAL CB C 13 31.770 0.1 . 1 . . . . . . . . 6355 1 161 . 1 1 15 15 VAL CG1 C 13 23.213 0.1 . 2 . . . . . . . . 6355 1 162 . 1 1 15 15 VAL CG2 C 13 21.823 0.1 . 2 . . . . . . . . 6355 1 163 . 1 1 15 15 VAL N N 15 120.435 0.1 . 1 . . . . . . . . 6355 1 164 . 1 1 16 16 ILE H H 1 8.183 0.02 . 1 . . . . . . . . 6355 1 165 . 1 1 16 16 ILE HA H 1 3.462 0.02 . 1 . . . . . . . . 6355 1 166 . 1 1 16 16 ILE HB H 1 1.967 0.02 . 1 . . . . . . . . 6355 1 167 . 1 1 16 16 ILE HG12 H 1 1.478 0.02 . 2 . . . . . . . . 6355 1 168 . 1 1 16 16 ILE HG13 H 1 1.230 0.02 . 2 . . . . . . . . 6355 1 169 . 1 1 16 16 ILE HG21 H 1 0.762 0.02 . 1 . . . . . . . . 6355 1 170 . 1 1 16 16 ILE HG22 H 1 0.762 0.02 . 1 . . . . . . . . 6355 1 171 . 1 1 16 16 ILE HG23 H 1 0.762 0.02 . 1 . . . . . . . . 6355 1 172 . 1 1 16 16 ILE HD11 H 1 0.644 0.02 . 1 . . . . . . . . 6355 1 173 . 1 1 16 16 ILE HD12 H 1 0.644 0.02 . 1 . . . . . . . . 6355 1 174 . 1 1 16 16 ILE HD13 H 1 0.644 0.02 . 1 . . . . . . . . 6355 1 175 . 1 1 16 16 ILE C C 13 177.800 0.1 . 1 . . . . . . . . 6355 1 176 . 1 1 16 16 ILE CA C 13 64.920 0.1 . 1 . . . . . . . . 6355 1 177 . 1 1 16 16 ILE CB C 13 36.741 0.1 . 1 . . . . . . . . 6355 1 178 . 1 1 16 16 ILE CG1 C 13 29.256 0.1 . 1 . . . . . . . . 6355 1 179 . 1 1 16 16 ILE CG2 C 13 17.888 0.1 . 1 . . . . . . . . 6355 1 180 . 1 1 16 16 ILE CD1 C 13 13.290 0.1 . 1 . . . . . . . . 6355 1 181 . 1 1 16 16 ILE N N 15 118.234 0.1 . 1 . . . . . . . . 6355 1 182 . 1 1 17 17 GLU H H 1 8.242 0.02 . 1 . . . . . . . . 6355 1 183 . 1 1 17 17 GLU HA H 1 4.036 0.02 . 1 . . . . . . . . 6355 1 184 . 1 1 17 17 GLU HB2 H 1 2.137 0.02 . 1 . . . . . . . . 6355 1 185 . 1 1 17 17 GLU HB3 H 1 2.137 0.02 . 1 . . . . . . . . 6355 1 186 . 1 1 17 17 GLU HG2 H 1 2.449 0.02 . 1 . . . . . . . . 6355 1 187 . 1 1 17 17 GLU HG3 H 1 2.449 0.02 . 1 . . . . . . . . 6355 1 188 . 1 1 17 17 GLU C C 13 179.300 0.1 . 1 . . . . . . . . 6355 1 189 . 1 1 17 17 GLU CA C 13 59.670 0.1 . 1 . . . . . . . . 6355 1 190 . 1 1 17 17 GLU CB C 13 29.631 0.1 . 1 . . . . . . . . 6355 1 191 . 1 1 17 17 GLU CG C 13 36.396 0.1 . 1 . . . . . . . . 6355 1 192 . 1 1 17 17 GLU N N 15 117.831 0.1 . 1 . . . . . . . . 6355 1 193 . 1 1 18 18 ARG H H 1 7.680 0.02 . 1 . . . . . . . . 6355 1 194 . 1 1 18 18 ARG HA H 1 4.094 0.02 . 1 . . . . . . . . 6355 1 195 . 1 1 18 18 ARG HB2 H 1 2.113 0.02 . 2 . . . . . . . . 6355 1 196 . 1 1 18 18 ARG HB3 H 1 1.963 0.02 . 2 . . . . . . . . 6355 1 197 . 1 1 18 18 ARG HG2 H 1 1.698 0.02 . 2 . . . . . . . . 6355 1 198 . 1 1 18 18 ARG HG3 H 1 1.859 0.02 . 2 . . . . . . . . 6355 1 199 . 1 1 18 18 ARG HD2 H 1 3.273 0.02 . 1 . . . . . . . . 6355 1 200 . 1 1 18 18 ARG HD3 H 1 3.273 0.02 . 1 . . . . . . . . 6355 1 201 . 1 1 18 18 ARG HE H 1 8.616 0.02 . 1 . . . . . . . . 6355 1 202 . 1 1 18 18 ARG C C 13 178.500 0.1 . 1 . . . . . . . . 6355 1 203 . 1 1 18 18 ARG CA C 13 58.969 0.1 . 1 . . . . . . . . 6355 1 204 . 1 1 18 18 ARG CB C 13 30.302 0.1 . 1 . . . . . . . . 6355 1 205 . 1 1 18 18 ARG CG C 13 28.623 0.1 . 1 . . . . . . . . 6355 1 206 . 1 1 18 18 ARG CD C 13 43.912 0.1 . 1 . . . . . . . . 6355 1 207 . 1 1 18 18 ARG N N 15 118.600 0.1 . 1 . . . . . . . . 6355 1 208 . 1 1 18 18 ARG NE N 15 85.193 0.1 . 1 . . . . . . . . 6355 1 209 . 1 1 19 19 LEU H H 1 7.970 0.02 . 1 . . . . . . . . 6355 1 210 . 1 1 19 19 LEU HA H 1 4.491 0.02 . 1 . . . . . . . . 6355 1 211 . 1 1 19 19 LEU HB2 H 1 1.872 0.02 . 2 . . . . . . . . 6355 1 212 . 1 1 19 19 LEU HB3 H 1 1.579 0.02 . 2 . . . . . . . . 6355 1 213 . 1 1 19 19 LEU HG H 1 1.971 0.02 . 1 . . . . . . . . 6355 1 214 . 1 1 19 19 LEU HD11 H 1 0.795 0.02 . 2 . . . . . . . . 6355 1 215 . 1 1 19 19 LEU HD12 H 1 0.795 0.02 . 2 . . . . . . . . 6355 1 216 . 1 1 19 19 LEU HD13 H 1 0.795 0.02 . 2 . . . . . . . . 6355 1 217 . 1 1 19 19 LEU HD21 H 1 0.790 0.02 . 2 . . . . . . . . 6355 1 218 . 1 1 19 19 LEU HD22 H 1 0.790 0.02 . 2 . . . . . . . . 6355 1 219 . 1 1 19 19 LEU HD23 H 1 0.790 0.02 . 2 . . . . . . . . 6355 1 220 . 1 1 19 19 LEU C C 13 178.900 0.1 . 1 . . . . . . . . 6355 1 221 . 1 1 19 19 LEU CA C 13 56.053 0.1 . 1 . . . . . . . . 6355 1 222 . 1 1 19 19 LEU CB C 13 43.013 0.1 . 1 . . . . . . . . 6355 1 223 . 1 1 19 19 LEU CD1 C 13 23.442 0.1 . 1 . . . . . . . . 6355 1 224 . 1 1 19 19 LEU CD2 C 13 23.442 0.1 . 1 . . . . . . . . 6355 1 225 . 1 1 19 19 LEU N N 15 117.234 0.1 . 1 . . . . . . . . 6355 1 226 . 1 1 20 20 ARG H H 1 8.131 0.02 . 1 . . . . . . . . 6355 1 227 . 1 1 20 20 ARG HA H 1 3.953 0.02 . 1 . . . . . . . . 6355 1 228 . 1 1 20 20 ARG HB2 H 1 2.083 0.02 . 2 . . . . . . . . 6355 1 229 . 1 1 20 20 ARG HB3 H 1 1.995 0.02 . 2 . . . . . . . . 6355 1 230 . 1 1 20 20 ARG HG2 H 1 1.609 0.02 . 2 . . . . . . . . 6355 1 231 . 1 1 20 20 ARG HG3 H 1 1.867 0.02 . 2 . . . . . . . . 6355 1 232 . 1 1 20 20 ARG HD2 H 1 3.28 0.02 . 2 . . . . . . . . 6355 1 233 . 1 1 20 20 ARG HD3 H 1 3.27 0.02 . 2 . . . . . . . . 6355 1 234 . 1 1 20 20 ARG HE H 1 7.547 0.02 . 1 . . . . . . . . 6355 1 235 . 1 1 20 20 ARG CA C 13 63.045 0.1 . 1 . . . . . . . . 6355 1 236 . 1 1 20 20 ARG CB C 13 28.579 0.1 . 1 . . . . . . . . 6355 1 237 . 1 1 20 20 ARG CG C 13 28.783 0.1 . 1 . . . . . . . . 6355 1 238 . 1 1 20 20 ARG CD C 13 43.711 0.1 . 1 . . . . . . . . 6355 1 239 . 1 1 20 20 ARG N N 15 121.244 0.1 . 1 . . . . . . . . 6355 1 240 . 1 1 20 20 ARG NE N 15 84.210 0.1 . 1 . . . . . . . . 6355 1 241 . 1 1 21 21 PRO HA H 1 4.209 0.02 . 1 . . . . . . . . 6355 1 242 . 1 1 21 21 PRO HB2 H 1 2.209 0.02 . 2 . . . . . . . . 6355 1 243 . 1 1 21 21 PRO HB3 H 1 1.363 0.02 . 2 . . . . . . . . 6355 1 244 . 1 1 21 21 PRO HG2 H 1 1.922 0.02 . 1 . . . . . . . . 6355 1 245 . 1 1 21 21 PRO HG3 H 1 1.922 0.02 . 1 . . . . . . . . 6355 1 246 . 1 1 21 21 PRO HD2 H 1 3.729 0.02 . 2 . . . . . . . . 6355 1 247 . 1 1 21 21 PRO HD3 H 1 3.647 0.02 . 2 . . . . . . . . 6355 1 248 . 1 1 21 21 PRO C C 13 178.800 0.1 . 1 . . . . . . . . 6355 1 249 . 1 1 21 21 PRO CA C 13 66.405 0.1 . 1 . . . . . . . . 6355 1 250 . 1 1 21 21 PRO CB C 13 31.330 0.1 . 1 . . . . . . . . 6355 1 251 . 1 1 21 21 PRO CG C 13 28.678 0.1 . 1 . . . . . . . . 6355 1 252 . 1 1 21 21 PRO CD C 13 50.514 0.1 . 1 . . . . . . . . 6355 1 253 . 1 1 22 22 PHE H H 1 7.465 0.02 . 1 . . . . . . . . 6355 1 254 . 1 1 22 22 PHE HA H 1 4.283 0.02 . 1 . . . . . . . . 6355 1 255 . 1 1 22 22 PHE HB2 H 1 3.248 0.02 . 1 . . . . . . . . 6355 1 256 . 1 1 22 22 PHE HB3 H 1 3.248 0.02 . 1 . . . . . . . . 6355 1 257 . 1 1 22 22 PHE C C 13 177.900 0.1 . 1 . . . . . . . . 6355 1 258 . 1 1 22 22 PHE CA C 13 60.180 0.1 . 1 . . . . . . . . 6355 1 259 . 1 1 22 22 PHE CB C 13 38.836 0.1 . 1 . . . . . . . . 6355 1 260 . 1 1 22 22 PHE N N 15 115.302 0.1 . 1 . . . . . . . . 6355 1 261 . 1 1 22 22 PHE CD1 C 13 131.918 0.1 . 1 . . . . . . . . 6355 1 262 . 1 1 22 22 PHE CD2 C 13 131.918 0.1 . 1 . . . . . . . . 6355 1 263 . 1 1 22 22 PHE CE1 C 13 131.952 0.1 . 1 . . . . . . . . 6355 1 264 . 1 1 22 22 PHE CE2 C 13 131.952 0.1 . 1 . . . . . . . . 6355 1 265 . 1 1 22 22 PHE CZ C 13 131.70 0.1 . 1 . . . . . . . . 6355 1 266 . 1 1 22 22 PHE HD1 H 1 7.350 0.02 . 1 . . . . . . . . 6355 1 267 . 1 1 22 22 PHE HD2 H 1 7.350 0.02 . 1 . . . . . . . . 6355 1 268 . 1 1 22 22 PHE HE1 H 1 7.436 0.02 . 1 . . . . . . . . 6355 1 269 . 1 1 22 22 PHE HE2 H 1 7.436 0.02 . 1 . . . . . . . . 6355 1 270 . 1 1 23 23 LEU H H 1 8.003 0.02 . 1 . . . . . . . . 6355 1 271 . 1 1 23 23 LEU HA H 1 4.111 0.02 . 1 . . . . . . . . 6355 1 272 . 1 1 23 23 LEU HB2 H 1 1.891 0.02 . 2 . . . . . . . . 6355 1 273 . 1 1 23 23 LEU HB3 H 1 1.283 0.02 . 2 . . . . . . . . 6355 1 274 . 1 1 23 23 LEU HG H 1 1.884 0.02 . 1 . . . . . . . . 6355 1 275 . 1 1 23 23 LEU HD11 H 1 0.833 0.02 . 2 . . . . . . . . 6355 1 276 . 1 1 23 23 LEU HD12 H 1 0.833 0.02 . 2 . . . . . . . . 6355 1 277 . 1 1 23 23 LEU HD13 H 1 0.833 0.02 . 2 . . . . . . . . 6355 1 278 . 1 1 23 23 LEU HD21 H 1 0.834 0.02 . 2 . . . . . . . . 6355 1 279 . 1 1 23 23 LEU HD22 H 1 0.834 0.02 . 2 . . . . . . . . 6355 1 280 . 1 1 23 23 LEU HD23 H 1 0.834 0.02 . 2 . . . . . . . . 6355 1 281 . 1 1 23 23 LEU C C 13 179.700 0.1 . 1 . . . . . . . . 6355 1 282 . 1 1 23 23 LEU CA C 13 57.697 0.1 . 1 . . . . . . . . 6355 1 283 . 1 1 23 23 LEU CB C 13 41.908 0.1 . 1 . . . . . . . . 6355 1 284 . 1 1 23 23 LEU CD1 C 13 23.291 0.1 . 1 . . . . . . . . 6355 1 285 . 1 1 23 23 LEU CD2 C 13 23.291 0.1 . 1 . . . . . . . . 6355 1 286 . 1 1 23 23 LEU N N 15 119.925 0.1 . 1 . . . . . . . . 6355 1 287 . 1 1 24 24 LEU H H 1 8.422 0.02 . 1 . . . . . . . . 6355 1 288 . 1 1 24 24 LEU HA H 1 4.478 0.02 . 1 . . . . . . . . 6355 1 289 . 1 1 24 24 LEU HB2 H 1 1.765 0.02 . 2 . . . . . . . . 6355 1 290 . 1 1 24 24 LEU HB3 H 1 1.501 0.02 . 2 . . . . . . . . 6355 1 291 . 1 1 24 24 LEU HG H 1 1.491 0.02 . 1 . . . . . . . . 6355 1 292 . 1 1 24 24 LEU HD11 H 1 0.850 0.02 . 2 . . . . . . . . 6355 1 293 . 1 1 24 24 LEU HD12 H 1 0.850 0.02 . 2 . . . . . . . . 6355 1 294 . 1 1 24 24 LEU HD13 H 1 0.850 0.02 . 2 . . . . . . . . 6355 1 295 . 1 1 24 24 LEU HD21 H 1 0.832 0.02 . 2 . . . . . . . . 6355 1 296 . 1 1 24 24 LEU HD22 H 1 0.832 0.02 . 2 . . . . . . . . 6355 1 297 . 1 1 24 24 LEU HD23 H 1 0.832 0.02 . 2 . . . . . . . . 6355 1 298 . 1 1 24 24 LEU C C 13 180.700 0.1 . 1 . . . . . . . . 6355 1 299 . 1 1 24 24 LEU CA C 13 57.040 0.1 . 1 . . . . . . . . 6355 1 300 . 1 1 24 24 LEU CB C 13 41.944 0.1 . 1 . . . . . . . . 6355 1 301 . 1 1 24 24 LEU CG C 13 27.489 0.1 . 1 . . . . . . . . 6355 1 302 . 1 1 24 24 LEU CD1 C 13 23.842 0.1 . 2 . . . . . . . . 6355 1 303 . 1 1 24 24 LEU CD2 C 13 23.56 0.1 . 2 . . . . . . . . 6355 1 304 . 1 1 24 24 LEU N N 15 119.504 0.1 . 1 . . . . . . . . 6355 1 305 . 1 1 25 25 ARG H H 1 7.410 0.02 . 1 . . . . . . . . 6355 1 306 . 1 1 25 25 ARG HA H 1 4.141 0.02 . 1 . . . . . . . . 6355 1 307 . 1 1 25 25 ARG HB2 H 1 2.042 0.02 . 2 . . . . . . . . 6355 1 308 . 1 1 25 25 ARG HB3 H 1 1.993 0.02 . 2 . . . . . . . . 6355 1 309 . 1 1 25 25 ARG HG2 H 1 1.789 0.02 . 2 . . . . . . . . 6355 1 310 . 1 1 25 25 ARG HG3 H 1 1.656 0.02 . 2 . . . . . . . . 6355 1 311 . 1 1 25 25 ARG HD2 H 1 3.217 0.02 . 2 . . . . . . . . 6355 1 312 . 1 1 25 25 ARG HD3 H 1 3.215 0.02 . 2 . . . . . . . . 6355 1 313 . 1 1 25 25 ARG HE H 1 7.275 0.02 . 1 . . . . . . . . 6355 1 314 . 1 1 25 25 ARG C C 13 177.000 0.1 . 1 . . . . . . . . 6355 1 315 . 1 1 25 25 ARG CA C 13 59.191 0.1 . 1 . . . . . . . . 6355 1 316 . 1 1 25 25 ARG CB C 13 30.880 0.1 . 1 . . . . . . . . 6355 1 317 . 1 1 25 25 ARG CG C 13 26.934 0.1 . 1 . . . . . . . . 6355 1 318 . 1 1 25 25 ARG CD C 13 43.750 0.1 . 1 . . . . . . . . 6355 1 319 . 1 1 25 25 ARG N N 15 120.035 0.1 . 1 . . . . . . . . 6355 1 320 . 1 1 25 25 ARG NE N 15 84.936 0.1 . 1 . . . . . . . . 6355 1 321 . 1 1 26 26 ASP H H 1 7.613 0.02 . 1 . . . . . . . . 6355 1 322 . 1 1 26 26 ASP HA H 1 4.893 0.02 . 1 . . . . . . . . 6355 1 323 . 1 1 26 26 ASP HB2 H 1 2.966 0.02 . 2 . . . . . . . . 6355 1 324 . 1 1 26 26 ASP HB3 H 1 2.576 0.02 . 2 . . . . . . . . 6355 1 325 . 1 1 26 26 ASP C C 13 176.100 0.1 . 1 . . . . . . . . 6355 1 326 . 1 1 26 26 ASP CA C 13 54.352 0.1 . 1 . . . . . . . . 6355 1 327 . 1 1 26 26 ASP CB C 13 41.642 0.1 . 1 . . . . . . . . 6355 1 328 . 1 1 26 26 ASP N N 15 117.507 0.1 . 1 . . . . . . . . 6355 1 329 . 1 1 27 27 GLY H H 1 7.901 0.02 . 1 . . . . . . . . 6355 1 330 . 1 1 27 27 GLY HA2 H 1 4.299 0.02 . 2 . . . . . . . . 6355 1 331 . 1 1 27 27 GLY HA3 H 1 3.819 0.02 . 2 . . . . . . . . 6355 1 332 . 1 1 27 27 GLY C C 13 174.300 0.1 . 1 . . . . . . . . 6355 1 333 . 1 1 27 27 GLY CA C 13 46.020 0.1 . 1 . . . . . . . . 6355 1 334 . 1 1 27 27 GLY N N 15 107.312 0.1 . 1 . . . . . . . . 6355 1 335 . 1 1 28 28 GLY H H 1 8.162 0.02 . 1 . . . . . . . . 6355 1 336 . 1 1 28 28 GLY HA2 H 1 4.536 0.02 . 2 . . . . . . . . 6355 1 337 . 1 1 28 28 GLY HA3 H 1 3.737 0.02 . 2 . . . . . . . . 6355 1 338 . 1 1 28 28 GLY C C 13 170.800 0.1 . 1 . . . . . . . . 6355 1 339 . 1 1 28 28 GLY CA C 13 44.647 0.1 . 1 . . . . . . . . 6355 1 340 . 1 1 28 28 GLY N N 15 108.715 0.1 . 1 . . . . . . . . 6355 1 341 . 1 1 29 29 ASP H H 1 8.080 0.02 . 1 . . . . . . . . 6355 1 342 . 1 1 29 29 ASP HA H 1 4.707 0.02 . 1 . . . . . . . . 6355 1 343 . 1 1 29 29 ASP HB2 H 1 2.683 0.02 . 2 . . . . . . . . 6355 1 344 . 1 1 29 29 ASP HB3 H 1 2.267 0.02 . 2 . . . . . . . . 6355 1 345 . 1 1 29 29 ASP C C 13 174.200 0.1 . 1 . . . . . . . . 6355 1 346 . 1 1 29 29 ASP CA C 13 53.347 0.1 . 1 . . . . . . . . 6355 1 347 . 1 1 29 29 ASP CB C 13 43.751 0.1 . 1 . . . . . . . . 6355 1 348 . 1 1 29 29 ASP N N 15 113.023 0.1 . 1 . . . . . . . . 6355 1 349 . 1 1 30 30 CYS H H 1 9.360 0.02 . 1 . . . . . . . . 6355 1 350 . 1 1 30 30 CYS HA H 1 5.301 0.02 . 1 . . . . . . . . 6355 1 351 . 1 1 30 30 CYS HB2 H 1 2.623 0.02 . 2 . . . . . . . . 6355 1 352 . 1 1 30 30 CYS HB3 H 1 2.497 0.02 . 2 . . . . . . . . 6355 1 353 . 1 1 30 30 CYS C C 13 172.400 0.1 . 1 . . . . . . . . 6355 1 354 . 1 1 30 30 CYS CA C 13 57.049 0.1 . 1 . . . . . . . . 6355 1 355 . 1 1 30 30 CYS CB C 13 31.081 0.1 . 1 . . . . . . . . 6355 1 356 . 1 1 30 30 CYS N N 15 118.900 0.1 . 1 . . . . . . . . 6355 1 357 . 1 1 31 31 THR H H 1 8.980 0.02 . 1 . . . . . . . . 6355 1 358 . 1 1 31 31 THR HA H 1 4.532 0.02 . 1 . . . . . . . . 6355 1 359 . 1 1 31 31 THR HB H 1 3.939 0.02 . 1 . . . . . . . . 6355 1 360 . 1 1 31 31 THR HG21 H 1 1.139 0.02 . 1 . . . . . . . . 6355 1 361 . 1 1 31 31 THR HG22 H 1 1.139 0.02 . 1 . . . . . . . . 6355 1 362 . 1 1 31 31 THR HG23 H 1 1.139 0.02 . 1 . . . . . . . . 6355 1 363 . 1 1 31 31 THR C C 13 173.300 0.1 . 1 . . . . . . . . 6355 1 364 . 1 1 31 31 THR CA C 13 61.623 0.1 . 1 . . . . . . . . 6355 1 365 . 1 1 31 31 THR CB C 13 72.055 0.1 . 1 . . . . . . . . 6355 1 366 . 1 1 31 31 THR CG2 C 13 21.968 0.1 . 1 . . . . . . . . 6355 1 367 . 1 1 31 31 THR N N 15 121.138 0.1 . 1 . . . . . . . . 6355 1 368 . 1 1 32 32 LEU H H 1 9.152 0.02 . 1 . . . . . . . . 6355 1 369 . 1 1 32 32 LEU HA H 1 4.232 0.02 . 1 . . . . . . . . 6355 1 370 . 1 1 32 32 LEU HB2 H 1 1.859 0.02 . 2 . . . . . . . . 6355 1 371 . 1 1 32 32 LEU HB3 H 1 0.944 0.02 . 2 . . . . . . . . 6355 1 372 . 1 1 32 32 LEU HG H 1 1.117 0.02 . 1 . . . . . . . . 6355 1 373 . 1 1 32 32 LEU HD11 H 1 0.081 0.02 . 2 . . . . . . . . 6355 1 374 . 1 1 32 32 LEU HD12 H 1 0.081 0.02 . 2 . . . . . . . . 6355 1 375 . 1 1 32 32 LEU HD13 H 1 0.081 0.02 . 2 . . . . . . . . 6355 1 376 . 1 1 32 32 LEU HD21 H 1 0.780 0.02 . 2 . . . . . . . . 6355 1 377 . 1 1 32 32 LEU HD22 H 1 0.780 0.02 . 2 . . . . . . . . 6355 1 378 . 1 1 32 32 LEU HD23 H 1 0.780 0.02 . 2 . . . . . . . . 6355 1 379 . 1 1 32 32 LEU C C 13 174.868 0.1 . 1 . . . . . . . . 6355 1 380 . 1 1 32 32 LEU CA C 13 55.614 0.1 . 1 . . . . . . . . 6355 1 381 . 1 1 32 32 LEU CB C 13 42.524 0.1 . 1 . . . . . . . . 6355 1 382 . 1 1 32 32 LEU CD1 C 13 26.402 0.1 . 2 . . . . . . . . 6355 1 383 . 1 1 32 32 LEU CD2 C 13 24.349 0.1 . 2 . . . . . . . . 6355 1 384 . 1 1 32 32 LEU N N 15 128.927 0.1 . 1 . . . . . . . . 6355 1 385 . 1 1 33 33 VAL H H 1 8.739 0.02 . 1 . . . . . . . . 6355 1 386 . 1 1 33 33 VAL HA H 1 4.078 0.02 . 1 . . . . . . . . 6355 1 387 . 1 1 33 33 VAL HB H 1 1.706 0.02 . 1 . . . . . . . . 6355 1 388 . 1 1 33 33 VAL HG11 H 1 0.862 0.02 . 1 . . . . . . . . 6355 1 389 . 1 1 33 33 VAL HG12 H 1 0.862 0.02 . 1 . . . . . . . . 6355 1 390 . 1 1 33 33 VAL HG13 H 1 0.862 0.02 . 1 . . . . . . . . 6355 1 391 . 1 1 33 33 VAL HG21 H 1 0.862 0.02 . 1 . . . . . . . . 6355 1 392 . 1 1 33 33 VAL HG22 H 1 0.862 0.02 . 1 . . . . . . . . 6355 1 393 . 1 1 33 33 VAL HG23 H 1 0.862 0.02 . 1 . . . . . . . . 6355 1 394 . 1 1 33 33 VAL C C 13 175.500 0.1 . 1 . . . . . . . . 6355 1 395 . 1 1 33 33 VAL CA C 13 64.835 0.1 . 1 . . . . . . . . 6355 1 396 . 1 1 33 33 VAL CB C 13 32.901 0.1 . 1 . . . . . . . . 6355 1 397 . 1 1 33 33 VAL CG1 C 13 22.090 0.1 . 2 . . . . . . . . 6355 1 398 . 1 1 33 33 VAL CG2 C 13 22.091 0.1 . 2 . . . . . . . . 6355 1 399 . 1 1 33 33 VAL N N 15 128.395 0.1 . 1 . . . . . . . . 6355 1 400 . 1 1 34 34 ASP H H 1 7.892 0.02 . 1 . . . . . . . . 6355 1 401 . 1 1 34 34 ASP HA H 1 5.019 0.02 . 1 . . . . . . . . 6355 1 402 . 1 1 34 34 ASP HB2 H 1 2.848 0.02 . 2 . . . . . . . . 6355 1 403 . 1 1 34 34 ASP HB3 H 1 2.466 0.02 . 2 . . . . . . . . 6355 1 404 . 1 1 34 34 ASP C C 13 174.200 0.1 . 1 . . . . . . . . 6355 1 405 . 1 1 34 34 ASP CA C 13 54.195 0.1 . 1 . . . . . . . . 6355 1 406 . 1 1 34 34 ASP CB C 13 44.684 0.1 . 1 . . . . . . . . 6355 1 407 . 1 1 34 34 ASP N N 15 113.922 0.1 . 1 . . . . . . . . 6355 1 408 . 1 1 35 35 VAL H H 1 8.841 0.02 . 1 . . . . . . . . 6355 1 409 . 1 1 35 35 VAL HA H 1 4.925 0.02 . 1 . . . . . . . . 6355 1 410 . 1 1 35 35 VAL HB H 1 2.093 0.02 . 1 . . . . . . . . 6355 1 411 . 1 1 35 35 VAL HG11 H 1 0.955 0.02 . 2 . . . . . . . . 6355 1 412 . 1 1 35 35 VAL HG12 H 1 0.955 0.02 . 2 . . . . . . . . 6355 1 413 . 1 1 35 35 VAL HG13 H 1 0.955 0.02 . 2 . . . . . . . . 6355 1 414 . 1 1 35 35 VAL HG21 H 1 0.779 0.02 . 2 . . . . . . . . 6355 1 415 . 1 1 35 35 VAL HG22 H 1 0.779 0.02 . 2 . . . . . . . . 6355 1 416 . 1 1 35 35 VAL HG23 H 1 0.779 0.02 . 2 . . . . . . . . 6355 1 417 . 1 1 35 35 VAL C C 13 174.400 0.1 . 1 . . . . . . . . 6355 1 418 . 1 1 35 35 VAL CA C 13 62.196 0.1 . 1 . . . . . . . . 6355 1 419 . 1 1 35 35 VAL CB C 13 34.483 0.1 . 1 . . . . . . . . 6355 1 420 . 1 1 35 35 VAL CG1 C 13 21.160 0.1 . 2 . . . . . . . . 6355 1 421 . 1 1 35 35 VAL CG2 C 13 23.076 0.1 . 2 . . . . . . . . 6355 1 422 . 1 1 35 35 VAL N N 15 119.120 0.1 . 1 . . . . . . . . 6355 1 423 . 1 1 36 36 GLU H H 1 8.732 0.02 . 1 . . . . . . . . 6355 1 424 . 1 1 36 36 GLU HA H 1 4.583 0.02 . 1 . . . . . . . . 6355 1 425 . 1 1 36 36 GLU HB2 H 1 1.918 0.02 . 2 . . . . . . . . 6355 1 426 . 1 1 36 36 GLU HB3 H 1 1.929 0.02 . 2 . . . . . . . . 6355 1 427 . 1 1 36 36 GLU HG2 H 1 2.202 0.02 . 2 . . . . . . . . 6355 1 428 . 1 1 36 36 GLU HG3 H 1 2.136 0.02 . 2 . . . . . . . . 6355 1 429 . 1 1 36 36 GLU C C 13 175.800 0.1 . 1 . . . . . . . . 6355 1 430 . 1 1 36 36 GLU CA C 13 55.966 0.1 . 1 . . . . . . . . 6355 1 431 . 1 1 36 36 GLU CB C 13 32.560 0.1 . 1 . . . . . . . . 6355 1 432 . 1 1 36 36 GLU CG C 13 36.505 0.1 . 1 . . . . . . . . 6355 1 433 . 1 1 36 36 GLU N N 15 127.119 0.1 . 1 . . . . . . . . 6355 1 434 . 1 1 37 37 ASP H H 1 9.450 0.02 . 1 . . . . . . . . 6355 1 435 . 1 1 37 37 ASP HA H 1 4.322 0.02 . 1 . . . . . . . . 6355 1 436 . 1 1 37 37 ASP HB2 H 1 2.954 0.02 . 2 . . . . . . . . 6355 1 437 . 1 1 37 37 ASP HB3 H 1 2.713 0.02 . 2 . . . . . . . . 6355 1 438 . 1 1 37 37 ASP C C 13 175.400 0.1 . 1 . . . . . . . . 6355 1 439 . 1 1 37 37 ASP CA C 13 55.977 0.1 . 1 . . . . . . . . 6355 1 440 . 1 1 37 37 ASP CB C 13 40.087 0.1 . 1 . . . . . . . . 6355 1 441 . 1 1 37 37 ASP N N 15 127.306 0.1 . 1 . . . . . . . . 6355 1 442 . 1 1 38 38 GLY H H 1 8.481 0.02 . 1 . . . . . . . . 6355 1 443 . 1 1 38 38 GLY HA2 H 1 3.496 0.02 . 2 . . . . . . . . 6355 1 444 . 1 1 38 38 GLY HA3 H 1 4.276 0.02 . 2 . . . . . . . . 6355 1 445 . 1 1 38 38 GLY C C 13 173.000 0.1 . 1 . . . . . . . . 6355 1 446 . 1 1 38 38 GLY CA C 13 45.889 0.1 . 1 . . . . . . . . 6355 1 447 . 1 1 38 38 GLY N N 15 102.712 0.1 . 1 . . . . . . . . 6355 1 448 . 1 1 39 39 ILE H H 1 8.164 0.02 . 1 . . . . . . . . 6355 1 449 . 1 1 39 39 ILE HA H 1 4.601 0.02 . 1 . . . . . . . . 6355 1 450 . 1 1 39 39 ILE HB H 1 2.159 0.02 . 1 . . . . . . . . 6355 1 451 . 1 1 39 39 ILE HG12 H 1 1.548 0.02 . 2 . . . . . . . . 6355 1 452 . 1 1 39 39 ILE HG13 H 1 1.148 0.02 . 2 . . . . . . . . 6355 1 453 . 1 1 39 39 ILE HG21 H 1 0.726 0.02 . 1 . . . . . . . . 6355 1 454 . 1 1 39 39 ILE HG22 H 1 0.726 0.02 . 1 . . . . . . . . 6355 1 455 . 1 1 39 39 ILE HG23 H 1 0.726 0.02 . 1 . . . . . . . . 6355 1 456 . 1 1 39 39 ILE HD11 H 1 0.842 0.02 . 1 . . . . . . . . 6355 1 457 . 1 1 39 39 ILE HD12 H 1 0.842 0.02 . 1 . . . . . . . . 6355 1 458 . 1 1 39 39 ILE HD13 H 1 0.842 0.02 . 1 . . . . . . . . 6355 1 459 . 1 1 39 39 ILE C C 13 175.900 0.1 . 1 . . . . . . . . 6355 1 460 . 1 1 39 39 ILE CA C 13 60.120 0.1 . 1 . . . . . . . . 6355 1 461 . 1 1 39 39 ILE CB C 13 37.394 0.1 . 1 . . . . . . . . 6355 1 462 . 1 1 39 39 ILE CG1 C 13 27.234 0.1 . 1 . . . . . . . . 6355 1 463 . 1 1 39 39 ILE CG2 C 13 17.761 0.1 . 1 . . . . . . . . 6355 1 464 . 1 1 39 39 ILE CD1 C 13 12.564 0.1 . 1 . . . . . . . . 6355 1 465 . 1 1 39 39 ILE N N 15 122.442 0.1 . 1 . . . . . . . . 6355 1 466 . 1 1 40 40 VAL H H 1 8.730 0.02 . 1 . . . . . . . . 6355 1 467 . 1 1 40 40 VAL HA H 1 4.211 0.02 . 1 . . . . . . . . 6355 1 468 . 1 1 40 40 VAL HB H 1 2.067 0.02 . 1 . . . . . . . . 6355 1 469 . 1 1 40 40 VAL HG11 H 1 0.984 0.02 . 2 . . . . . . . . 6355 1 470 . 1 1 40 40 VAL HG12 H 1 0.984 0.02 . 2 . . . . . . . . 6355 1 471 . 1 1 40 40 VAL HG13 H 1 0.984 0.02 . 2 . . . . . . . . 6355 1 472 . 1 1 40 40 VAL HG21 H 1 0.753 0.02 . 2 . . . . . . . . 6355 1 473 . 1 1 40 40 VAL HG22 H 1 0.753 0.02 . 2 . . . . . . . . 6355 1 474 . 1 1 40 40 VAL HG23 H 1 0.753 0.02 . 2 . . . . . . . . 6355 1 475 . 1 1 40 40 VAL C C 13 174.000 0.1 . 1 . . . . . . . . 6355 1 476 . 1 1 40 40 VAL CA C 13 62.251 0.1 . 1 . . . . . . . . 6355 1 477 . 1 1 40 40 VAL CB C 13 33.294 0.1 . 1 . . . . . . . . 6355 1 478 . 1 1 40 40 VAL CG1 C 13 23.320 0.1 . 2 . . . . . . . . 6355 1 479 . 1 1 40 40 VAL CG2 C 13 21.742 0.1 . 2 . . . . . . . . 6355 1 480 . 1 1 40 40 VAL N N 15 128.642 0.1 . 1 . . . . . . . . 6355 1 481 . 1 1 41 41 LYS H H 1 8.944 0.02 . 1 . . . . . . . . 6355 1 482 . 1 1 41 41 LYS HA H 1 5.250 0.02 . 1 . . . . . . . . 6355 1 483 . 1 1 41 41 LYS HB2 H 1 1.671 0.02 . 2 . . . . . . . . 6355 1 484 . 1 1 41 41 LYS HB3 H 1 1.575 0.02 . 2 . . . . . . . . 6355 1 485 . 1 1 41 41 LYS HG2 H 1 1.376 0.02 . 2 . . . . . . . . 6355 1 486 . 1 1 41 41 LYS HG3 H 1 1.272 0.02 . 2 . . . . . . . . 6355 1 487 . 1 1 41 41 LYS HD2 H 1 1.560 0.02 . 2 . . . . . . . . 6355 1 488 . 1 1 41 41 LYS HD3 H 1 1.628 0.02 . 2 . . . . . . . . 6355 1 489 . 1 1 41 41 LYS HE2 H 1 2.885 0.02 . 2 . . . . . . . . 6355 1 490 . 1 1 41 41 LYS HE3 H 1 2.953 0.02 . 2 . . . . . . . . 6355 1 491 . 1 1 41 41 LYS C C 13 175.000 0.1 . 1 . . . . . . . . 6355 1 492 . 1 1 41 41 LYS CA C 13 55.440 0.1 . 1 . . . . . . . . 6355 1 493 . 1 1 41 41 LYS CB C 13 33.617 0.1 . 1 . . . . . . . . 6355 1 494 . 1 1 41 41 LYS CG C 13 25.873 0.1 . 1 . . . . . . . . 6355 1 495 . 1 1 41 41 LYS CD C 13 29.843 0.1 . 1 . . . . . . . . 6355 1 496 . 1 1 41 41 LYS CE C 13 42.621 0.1 . 1 . . . . . . . . 6355 1 497 . 1 1 41 41 LYS N N 15 127.904 0.1 . 1 . . . . . . . . 6355 1 498 . 1 1 42 42 LEU H H 1 8.713 0.02 . 1 . . . . . . . . 6355 1 499 . 1 1 42 42 LEU HA H 1 5.103 0.02 . 1 . . . . . . . . 6355 1 500 . 1 1 42 42 LEU HB2 H 1 1.361 0.02 . 1 . . . . . . . . 6355 1 501 . 1 1 42 42 LEU HB3 H 1 1.361 0.02 . 1 . . . . . . . . 6355 1 502 . 1 1 42 42 LEU HG H 1 1.485 0.02 . 1 . . . . . . . . 6355 1 503 . 1 1 42 42 LEU HD11 H 1 0.643 0.02 . 2 . . . . . . . . 6355 1 504 . 1 1 42 42 LEU HD12 H 1 0.643 0.02 . 2 . . . . . . . . 6355 1 505 . 1 1 42 42 LEU HD13 H 1 0.643 0.02 . 2 . . . . . . . . 6355 1 506 . 1 1 42 42 LEU HD21 H 1 0.833 0.02 . 2 . . . . . . . . 6355 1 507 . 1 1 42 42 LEU HD22 H 1 0.833 0.02 . 2 . . . . . . . . 6355 1 508 . 1 1 42 42 LEU HD23 H 1 0.833 0.02 . 2 . . . . . . . . 6355 1 509 . 1 1 42 42 LEU C C 13 175.400 0.1 . 1 . . . . . . . . 6355 1 510 . 1 1 42 42 LEU CA C 13 53.311 0.1 . 1 . . . . . . . . 6355 1 511 . 1 1 42 42 LEU CB C 13 46.297 0.1 . 1 . . . . . . . . 6355 1 512 . 1 1 42 42 LEU CG C 13 24.990 0.1 . 1 . . . . . . . . 6355 1 513 . 1 1 42 42 LEU CD1 C 13 25.941 0.1 . 2 . . . . . . . . 6355 1 514 . 1 1 42 42 LEU CD2 C 13 25.308 0.1 . 2 . . . . . . . . 6355 1 515 . 1 1 42 42 LEU N N 15 122.001 0.1 . 1 . . . . . . . . 6355 1 516 . 1 1 43 43 GLN H H 1 8.941 0.02 . 1 . . . . . . . . 6355 1 517 . 1 1 43 43 GLN HA H 1 4.846 0.02 . 1 . . . . . . . . 6355 1 518 . 1 1 43 43 GLN HB2 H 1 1.851 0.02 . 2 . . . . . . . . 6355 1 519 . 1 1 43 43 GLN HB3 H 1 1.754 0.02 . 2 . . . . . . . . 6355 1 520 . 1 1 43 43 GLN HG2 H 1 2.135 0.02 . 2 . . . . . . . . 6355 1 521 . 1 1 43 43 GLN HG3 H 1 2.045 0.02 . 2 . . . . . . . . 6355 1 522 . 1 1 43 43 GLN C C 13 175.000 0.1 . 1 . . . . . . . . 6355 1 523 . 1 1 43 43 GLN CA C 13 54.712 0.1 . 1 . . . . . . . . 6355 1 524 . 1 1 43 43 GLN CB C 13 31.129 0.1 . 1 . . . . . . . . 6355 1 525 . 1 1 43 43 GLN CG C 13 34.307 0.1 . 1 . . . . . . . . 6355 1 526 . 1 1 43 43 GLN N N 15 122.003 0.1 . 1 . . . . . . . . 6355 1 527 . 1 1 44 44 LEU H H 1 8.922 0.02 . 1 . . . . . . . . 6355 1 528 . 1 1 44 44 LEU HA H 1 4.911 0.02 . 1 . . . . . . . . 6355 1 529 . 1 1 44 44 LEU HB2 H 1 1.572 0.02 . 2 . . . . . . . . 6355 1 530 . 1 1 44 44 LEU HB3 H 1 1.358 0.02 . 2 . . . . . . . . 6355 1 531 . 1 1 44 44 LEU HG H 1 1.410 0.02 . 1 . . . . . . . . 6355 1 532 . 1 1 44 44 LEU HD11 H 1 0.748 0.02 . 1 . . . . . . . . 6355 1 533 . 1 1 44 44 LEU HD12 H 1 0.748 0.02 . 1 . . . . . . . . 6355 1 534 . 1 1 44 44 LEU HD13 H 1 0.748 0.02 . 1 . . . . . . . . 6355 1 535 . 1 1 44 44 LEU HD21 H 1 0.748 0.02 . 1 . . . . . . . . 6355 1 536 . 1 1 44 44 LEU HD22 H 1 0.748 0.02 . 1 . . . . . . . . 6355 1 537 . 1 1 44 44 LEU HD23 H 1 0.748 0.02 . 1 . . . . . . . . 6355 1 538 . 1 1 44 44 LEU C C 13 174.955 0.1 . 1 . . . . . . . . 6355 1 539 . 1 1 44 44 LEU CA C 13 53.993 0.1 . 1 . . . . . . . . 6355 1 540 . 1 1 44 44 LEU CB C 13 44.463 0.1 . 1 . . . . . . . . 6355 1 541 . 1 1 44 44 LEU CG C 13 27.672 0.1 . 1 . . . . . . . . 6355 1 542 . 1 1 44 44 LEU CD1 C 13 25.086 0.1 . 1 . . . . . . . . 6355 1 543 . 1 1 44 44 LEU CD2 C 13 25.086 0.1 . 1 . . . . . . . . 6355 1 544 . 1 1 44 44 LEU N N 15 125.645 0.1 . 1 . . . . . . . . 6355 1 545 . 1 1 45 45 HIS H H 1 8.223 0.02 . 1 . . . . . . . . 6355 1 546 . 1 1 45 45 HIS HA H 1 4.835 0.02 . 1 . . . . . . . . 6355 1 547 . 1 1 45 45 HIS HB2 H 1 3.158 0.02 . 2 . . . . . . . . 6355 1 548 . 1 1 45 45 HIS HB3 H 1 2.850 0.02 . 2 . . . . . . . . 6355 1 549 . 1 1 45 45 HIS C C 13 174.500 0.1 . 1 . . . . . . . . 6355 1 550 . 1 1 45 45 HIS CA C 13 55.011 0.1 . 1 . . . . . . . . 6355 1 551 . 1 1 45 45 HIS CB C 13 32.326 0.1 . 1 . . . . . . . . 6355 1 552 . 1 1 45 45 HIS N N 15 119.291 0.1 . 1 . . . . . . . . 6355 1 553 . 1 1 45 45 HIS CD2 C 13 121.460 0.1 . 2 . . . . . . . . 6355 1 554 . 1 1 45 45 HIS HD2 H 1 6.733 0.02 . 2 . . . . . . . . 6355 1 555 . 1 1 46 46 GLY H H 1 8.571 0.02 . 1 . . . . . . . . 6355 1 556 . 1 1 46 46 GLY HA2 H 1 4.225 0.02 . 2 . . . . . . . . 6355 1 557 . 1 1 46 46 GLY HA3 H 1 3.963 0.02 . 2 . . . . . . . . 6355 1 558 . 1 1 46 46 GLY C C 13 174.200 0.1 . 1 . . . . . . . . 6355 1 559 . 1 1 46 46 GLY CA C 13 44.956 0.1 . 1 . . . . . . . . 6355 1 560 . 1 1 46 46 GLY N N 15 109.214 0.1 . 1 . . . . . . . . 6355 1 561 . 1 1 47 47 ALA H H 1 8.502 0.02 . 1 . . . . . . . . 6355 1 562 . 1 1 47 47 ALA HA H 1 4.292 0.02 . 1 . . . . . . . . 6355 1 563 . 1 1 47 47 ALA HB1 H 1 1.416 0.02 . 1 . . . . . . . . 6355 1 564 . 1 1 47 47 ALA HB2 H 1 1.416 0.02 . 1 . . . . . . . . 6355 1 565 . 1 1 47 47 ALA HB3 H 1 1.416 0.02 . 1 . . . . . . . . 6355 1 566 . 1 1 47 47 ALA C C 13 178.316 0.1 . 1 . . . . . . . . 6355 1 567 . 1 1 47 47 ALA CA C 13 53.308 0.1 . 1 . . . . . . . . 6355 1 568 . 1 1 47 47 ALA CB C 13 19.554 0.1 . 1 . . . . . . . . 6355 1 569 . 1 1 47 47 ALA N N 15 124.345 0.1 . 1 . . . . . . . . 6355 1 570 . 1 1 48 48 CYS H H 1 8.491 0.02 . 1 . . . . . . . . 6355 1 571 . 1 1 48 48 CYS HA H 1 4.433 0.02 . 1 . . . . . . . . 6355 1 572 . 1 1 48 48 CYS HB2 H 1 2.966 0.02 . 2 . . . . . . . . 6355 1 573 . 1 1 48 48 CYS HB3 H 1 2.928 0.02 . 2 . . . . . . . . 6355 1 574 . 1 1 48 48 CYS C C 13 175.200 0.1 . 1 . . . . . . . . 6355 1 575 . 1 1 48 48 CYS CA C 13 59.365 0.1 . 1 . . . . . . . . 6355 1 576 . 1 1 48 48 CYS CB C 13 27.807 0.1 . 1 . . . . . . . . 6355 1 577 . 1 1 48 48 CYS N N 15 117.210 0.1 . 1 . . . . . . . . 6355 1 578 . 1 1 49 49 GLY H H 1 8.423 0.02 . 1 . . . . . . . . 6355 1 579 . 1 1 49 49 GLY HA2 H 1 4.098 0.02 . 2 . . . . . . . . 6355 1 580 . 1 1 49 49 GLY HA3 H 1 3.957 0.02 . 2 . . . . . . . . 6355 1 581 . 1 1 49 49 GLY C C 13 174.500 0.1 . 1 . . . . . . . . 6355 1 582 . 1 1 49 49 GLY CA C 13 45.803 0.1 . 1 . . . . . . . . 6355 1 583 . 1 1 49 49 GLY N N 15 110.529 0.1 . 1 . . . . . . . . 6355 1 584 . 1 1 50 50 THR H H 1 7.973 0.02 . 1 . . . . . . . . 6355 1 585 . 1 1 50 50 THR HA H 1 4.360 0.02 . 1 . . . . . . . . 6355 1 586 . 1 1 50 50 THR HB H 1 4.350 0.02 . 1 . . . . . . . . 6355 1 587 . 1 1 50 50 THR HG21 H 1 1.227 0.02 . 1 . . . . . . . . 6355 1 588 . 1 1 50 50 THR HG22 H 1 1.227 0.02 . 1 . . . . . . . . 6355 1 589 . 1 1 50 50 THR HG23 H 1 1.227 0.02 . 1 . . . . . . . . 6355 1 590 . 1 1 50 50 THR C C 13 174.451 0.1 . 1 . . . . . . . . 6355 1 591 . 1 1 50 50 THR CA C 13 62.54 0.1 . 1 . . . . . . . . 6355 1 592 . 1 1 50 50 THR CB C 13 70.170 0.1 . 1 . . . . . . . . 6355 1 593 . 1 1 50 50 THR CG2 C 13 22.087 0.1 . 1 . . . . . . . . 6355 1 594 . 1 1 50 50 THR N N 15 112.035 0.1 . 1 . . . . . . . . 6355 1 595 . 1 1 51 51 CYS H H 1 8.295 0.02 . 1 . . . . . . . . 6355 1 596 . 1 1 51 51 CYS HA H 1 4.417 0.02 . 1 . . . . . . . . 6355 1 597 . 1 1 51 51 CYS HB2 H 1 3.194 0.02 . 2 . . . . . . . . 6355 1 598 . 1 1 51 51 CYS HB3 H 1 3.074 0.02 . 2 . . . . . . . . 6355 1 599 . 1 1 51 51 CYS CA C 13 57.555 0.1 . 1 . . . . . . . . 6355 1 600 . 1 1 51 51 CYS CB C 13 30.446 0.1 . 1 . . . . . . . . 6355 1 601 . 1 1 51 51 CYS N N 15 122.218 0.1 . 1 . . . . . . . . 6355 1 602 . 1 1 52 52 PRO HA H 1 4.470 0.02 . 1 . . . . . . . . 6355 1 603 . 1 1 52 52 PRO HB2 H 1 2.39 0.02 . 2 . . . . . . . . 6355 1 604 . 1 1 52 52 PRO HB3 H 1 2.090 0.02 . 2 . . . . . . . . 6355 1 605 . 1 1 52 52 PRO HG2 H 1 2.113 0.02 . 2 . . . . . . . . 6355 1 606 . 1 1 52 52 PRO HG3 H 1 2.011 0.02 . 2 . . . . . . . . 6355 1 607 . 1 1 52 52 PRO HD2 H 1 3.875 0.02 . 2 . . . . . . . . 6355 1 608 . 1 1 52 52 PRO HD3 H 1 3.873 0.02 . 2 . . . . . . . . 6355 1 609 . 1 1 52 52 PRO C C 13 177.900 0.1 . 1 . . . . . . . . 6355 1 610 . 1 1 52 52 PRO CA C 13 65.080 0.1 . 1 . . . . . . . . 6355 1 611 . 1 1 52 52 PRO CB C 13 32.758 0.1 . 1 . . . . . . . . 6355 1 612 . 1 1 52 52 PRO CG C 13 27.806 0.1 . 1 . . . . . . . . 6355 1 613 . 1 1 52 52 PRO CD C 13 51.257 0.1 . 1 . . . . . . . . 6355 1 614 . 1 1 53 53 SER H H 1 8.444 0.02 . 1 . . . . . . . . 6355 1 615 . 1 1 53 53 SER HA H 1 4.373 0.02 . 1 . . . . . . . . 6355 1 616 . 1 1 53 53 SER HB2 H 1 3.986 0.02 . 2 . . . . . . . . 6355 1 617 . 1 1 53 53 SER HB3 H 1 3.954 0.02 . 2 . . . . . . . . 6355 1 618 . 1 1 53 53 SER C C 13 175.800 0.1 . 1 . . . . . . . . 6355 1 619 . 1 1 53 53 SER CA C 13 60.329 0.1 . 1 . . . . . . . . 6355 1 620 . 1 1 53 53 SER CB C 13 63.246 0.1 . 1 . . . . . . . . 6355 1 621 . 1 1 53 53 SER N N 15 114.011 0.1 . 1 . . . . . . . . 6355 1 622 . 1 1 54 54 SER H H 1 8.194 0.02 . 1 . . . . . . . . 6355 1 623 . 1 1 54 54 SER HA H 1 4.521 0.02 . 1 . . . . . . . . 6355 1 624 . 1 1 54 54 SER HB2 H 1 4.001 0.02 . 2 . . . . . . . . 6355 1 625 . 1 1 54 54 SER HB3 H 1 3.940 0.02 . 2 . . . . . . . . 6355 1 626 . 1 1 54 54 SER C C 13 176.100 0.1 . 1 . . . . . . . . 6355 1 627 . 1 1 54 54 SER CA C 13 59.942 0.1 . 1 . . . . . . . . 6355 1 628 . 1 1 54 54 SER CB C 13 63.826 0.1 . 1 . . . . . . . . 6355 1 629 . 1 1 54 54 SER N N 15 117.733 0.1 . 1 . . . . . . . . 6355 1 630 . 1 1 55 55 THR H H 1 8.213 0.02 . 1 . . . . . . . . 6355 1 631 . 1 1 55 55 THR HA H 1 4.120 0.02 . 1 . . . . . . . . 6355 1 632 . 1 1 55 55 THR HB H 1 4.287 0.02 . 1 . . . . . . . . 6355 1 633 . 1 1 55 55 THR HG21 H 1 1.165 0.02 . 1 . . . . . . . . 6355 1 634 . 1 1 55 55 THR HG22 H 1 1.165 0.02 . 1 . . . . . . . . 6355 1 635 . 1 1 55 55 THR HG23 H 1 1.165 0.02 . 1 . . . . . . . . 6355 1 636 . 1 1 55 55 THR C C 13 175.600 0.1 . 1 . . . . . . . . 6355 1 637 . 1 1 55 55 THR CA C 13 65.138 0.1 . 1 . . . . . . . . 6355 1 638 . 1 1 55 55 THR CB C 13 69.050 0.1 . 1 . . . . . . . . 6355 1 639 . 1 1 55 55 THR CG2 C 13 22.658 0.1 . 1 . . . . . . . . 6355 1 640 . 1 1 55 55 THR N N 15 116.046 0.1 . 1 . . . . . . . . 6355 1 641 . 1 1 56 56 ILE H H 1 7.804 0.02 . 1 . . . . . . . . 6355 1 642 . 1 1 56 56 ILE HA H 1 3.905 0.02 . 1 . . . . . . . . 6355 1 643 . 1 1 56 56 ILE HB H 1 1.969 0.02 . 1 . . . . . . . . 6355 1 644 . 1 1 56 56 ILE HG12 H 1 1.649 0.02 . 2 . . . . . . . . 6355 1 645 . 1 1 56 56 ILE HG13 H 1 1.280 0.02 . 2 . . . . . . . . 6355 1 646 . 1 1 56 56 ILE HG21 H 1 0.978 0.02 . 1 . . . . . . . . 6355 1 647 . 1 1 56 56 ILE HG22 H 1 0.978 0.02 . 1 . . . . . . . . 6355 1 648 . 1 1 56 56 ILE HG23 H 1 0.978 0.02 . 1 . . . . . . . . 6355 1 649 . 1 1 56 56 ILE HD11 H 1 0.916 0.02 . 1 . . . . . . . . 6355 1 650 . 1 1 56 56 ILE HD12 H 1 0.916 0.02 . 1 . . . . . . . . 6355 1 651 . 1 1 56 56 ILE HD13 H 1 0.916 0.02 . 1 . . . . . . . . 6355 1 652 . 1 1 56 56 ILE C C 13 178.100 0.1 . 1 . . . . . . . . 6355 1 653 . 1 1 56 56 ILE CA C 13 64.575 0.1 . 1 . . . . . . . . 6355 1 654 . 1 1 56 56 ILE CB C 13 38.279 0.1 . 1 . . . . . . . . 6355 1 655 . 1 1 56 56 ILE CG1 C 13 28.867 0.1 . 1 . . . . . . . . 6355 1 656 . 1 1 56 56 ILE CG2 C 13 17.511 0.1 . 1 . . . . . . . . 6355 1 657 . 1 1 56 56 ILE CD1 C 13 13.262 0.1 . 1 . . . . . . . . 6355 1 658 . 1 1 56 56 ILE N N 15 122.102 0.1 . 1 . . . . . . . . 6355 1 659 . 1 1 57 57 THR H H 1 7.893 0.02 . 1 . . . . . . . . 6355 1 660 . 1 1 57 57 THR HA H 1 4.104 0.02 . 1 . . . . . . . . 6355 1 661 . 1 1 57 57 THR HB H 1 4.286 0.02 . 1 . . . . . . . . 6355 1 662 . 1 1 57 57 THR HG21 H 1 1.289 0.02 . 1 . . . . . . . . 6355 1 663 . 1 1 57 57 THR HG22 H 1 1.289 0.02 . 1 . . . . . . . . 6355 1 664 . 1 1 57 57 THR HG23 H 1 1.289 0.02 . 1 . . . . . . . . 6355 1 665 . 1 1 57 57 THR C C 13 177.000 0.1 . 1 . . . . . . . . 6355 1 666 . 1 1 57 57 THR CA C 13 65.256 0.1 . 1 . . . . . . . . 6355 1 667 . 1 1 57 57 THR CB C 13 69.007 0.1 . 1 . . . . . . . . 6355 1 668 . 1 1 57 57 THR CG2 C 13 22.503 0.1 . 1 . . . . . . . . 6355 1 669 . 1 1 57 57 THR N N 15 116.231 0.1 . 1 . . . . . . . . 6355 1 670 . 1 1 58 58 LEU H H 1 7.904 0.02 . 1 . . . . . . . . 6355 1 671 . 1 1 58 58 LEU HA H 1 4.185 0.02 . 1 . . . . . . . . 6355 1 672 . 1 1 58 58 LEU HB2 H 1 1.811 0.02 . 2 . . . . . . . . 6355 1 673 . 1 1 58 58 LEU HB3 H 1 1.633 0.02 . 2 . . . . . . . . 6355 1 674 . 1 1 58 58 LEU HG H 1 1.662 0.02 . 1 . . . . . . . . 6355 1 675 . 1 1 58 58 LEU HD11 H 1 0.909 0.02 . 1 . . . . . . . . 6355 1 676 . 1 1 58 58 LEU HD12 H 1 0.909 0.02 . 1 . . . . . . . . 6355 1 677 . 1 1 58 58 LEU HD13 H 1 0.909 0.02 . 1 . . . . . . . . 6355 1 678 . 1 1 58 58 LEU HD21 H 1 0.909 0.02 . 1 . . . . . . . . 6355 1 679 . 1 1 58 58 LEU HD22 H 1 0.909 0.02 . 1 . . . . . . . . 6355 1 680 . 1 1 58 58 LEU HD23 H 1 0.909 0.02 . 1 . . . . . . . . 6355 1 681 . 1 1 58 58 LEU C C 13 178.500 0.1 . 1 . . . . . . . . 6355 1 682 . 1 1 58 58 LEU CA C 13 58.181 0.1 . 1 . . . . . . . . 6355 1 683 . 1 1 58 58 LEU CB C 13 42.496 0.1 . 1 . . . . . . . . 6355 1 684 . 1 1 58 58 LEU CG C 13 27.463 0.1 . 1 . . . . . . . . 6355 1 685 . 1 1 58 58 LEU CD1 C 13 25.417 0.1 . 1 . . . . . . . . 6355 1 686 . 1 1 58 58 LEU CD2 C 13 25.417 0.1 . 1 . . . . . . . . 6355 1 687 . 1 1 58 58 LEU N N 15 124.232 0.1 . 1 . . . . . . . . 6355 1 688 . 1 1 59 59 LYS H H 1 8.382 0.02 . 1 . . . . . . . . 6355 1 689 . 1 1 59 59 LYS HA H 1 3.676 0.02 . 1 . . . . . . . . 6355 1 690 . 1 1 59 59 LYS HB2 H 1 1.945 0.02 . 2 . . . . . . . . 6355 1 691 . 1 1 59 59 LYS HB3 H 1 1.789 0.02 . 2 . . . . . . . . 6355 1 692 . 1 1 59 59 LYS HG2 H 1 1.380 0.02 . 2 . . . . . . . . 6355 1 693 . 1 1 59 59 LYS HG3 H 1 1.276 0.02 . 2 . . . . . . . . 6355 1 694 . 1 1 59 59 LYS HD2 H 1 1.633 0.02 . 2 . . . . . . . . 6355 1 695 . 1 1 59 59 LYS HD3 H 1 1.629 0.02 . 2 . . . . . . . . 6355 1 696 . 1 1 59 59 LYS HE2 H 1 2.838 0.02 . 2 . . . . . . . . 6355 1 697 . 1 1 59 59 LYS HE3 H 1 2.956 0.02 . 2 . . . . . . . . 6355 1 698 . 1 1 59 59 LYS C C 13 177.900 0.1 . 1 . . . . . . . . 6355 1 699 . 1 1 59 59 LYS CA C 13 60.800 0.1 . 1 . . . . . . . . 6355 1 700 . 1 1 59 59 LYS CB C 13 32.680 0.1 . 1 . . . . . . . . 6355 1 701 . 1 1 59 59 LYS CG C 13 25.660 0.1 . 1 . . . . . . . . 6355 1 702 . 1 1 59 59 LYS CD C 13 29.976 0.1 . 1 . . . . . . . . 6355 1 703 . 1 1 59 59 LYS CE C 13 42.304 0.1 . 1 . . . . . . . . 6355 1 704 . 1 1 59 59 LYS N N 15 118.911 0.1 . 1 . . . . . . . . 6355 1 705 . 1 1 60 60 ALA H H 1 8.043 0.02 . 1 . . . . . . . . 6355 1 706 . 1 1 60 60 ALA HA H 1 4.257 0.02 . 1 . . . . . . . . 6355 1 707 . 1 1 60 60 ALA HB1 H 1 1.522 0.02 . 1 . . . . . . . . 6355 1 708 . 1 1 60 60 ALA HB2 H 1 1.522 0.02 . 1 . . . . . . . . 6355 1 709 . 1 1 60 60 ALA HB3 H 1 1.522 0.02 . 1 . . . . . . . . 6355 1 710 . 1 1 60 60 ALA C C 13 181.000 0.1 . 1 . . . . . . . . 6355 1 711 . 1 1 60 60 ALA CA C 13 55.189 0.1 . 1 . . . . . . . . 6355 1 712 . 1 1 60 60 ALA CB C 13 18.400 0.1 . 1 . . . . . . . . 6355 1 713 . 1 1 60 60 ALA N N 15 119.808 0.1 . 1 . . . . . . . . 6355 1 714 . 1 1 61 61 GLY H H 1 8.062 0.02 . 1 . . . . . . . . 6355 1 715 . 1 1 61 61 GLY HA2 H 1 3.875 0.02 . 2 . . . . . . . . 6355 1 716 . 1 1 61 61 GLY HA3 H 1 4.024 0.02 . 2 . . . . . . . . 6355 1 717 . 1 1 61 61 GLY C C 13 176.900 0.1 . 1 . . . . . . . . 6355 1 718 . 1 1 61 61 GLY CA C 13 47.218 0.1 . 1 . . . . . . . . 6355 1 719 . 1 1 61 61 GLY N N 15 106.424 0.1 . 1 . . . . . . . . 6355 1 720 . 1 1 62 62 ILE H H 1 8.021 0.02 . 1 . . . . . . . . 6355 1 721 . 1 1 62 62 ILE HA H 1 3.607 0.02 . 1 . . . . . . . . 6355 1 722 . 1 1 62 62 ILE HB H 1 1.804 0.02 . 1 . . . . . . . . 6355 1 723 . 1 1 62 62 ILE HG12 H 1 1.829 0.02 . 2 . . . . . . . . 6355 1 724 . 1 1 62 62 ILE HG13 H 1 0.860 0.02 . 2 . . . . . . . . 6355 1 725 . 1 1 62 62 ILE HG21 H 1 0.705 0.02 . 1 . . . . . . . . 6355 1 726 . 1 1 62 62 ILE HG22 H 1 0.705 0.02 . 1 . . . . . . . . 6355 1 727 . 1 1 62 62 ILE HG23 H 1 0.705 0.02 . 1 . . . . . . . . 6355 1 728 . 1 1 62 62 ILE HD11 H 1 0.761 0.02 . 1 . . . . . . . . 6355 1 729 . 1 1 62 62 ILE HD12 H 1 0.761 0.02 . 1 . . . . . . . . 6355 1 730 . 1 1 62 62 ILE HD13 H 1 0.761 0.02 . 1 . . . . . . . . 6355 1 731 . 1 1 62 62 ILE C C 13 177.180 0.1 . 1 . . . . . . . . 6355 1 732 . 1 1 62 62 ILE CA C 13 65.394 0.1 . 1 . . . . . . . . 6355 1 733 . 1 1 62 62 ILE CB C 13 38.699 0.1 . 1 . . . . . . . . 6355 1 734 . 1 1 62 62 ILE CG1 C 13 29.602 0.1 . 1 . . . . . . . . 6355 1 735 . 1 1 62 62 ILE CG2 C 13 17.723 0.1 . 1 . . . . . . . . 6355 1 736 . 1 1 62 62 ILE CD1 C 13 14.780 0.1 . 1 . . . . . . . . 6355 1 737 . 1 1 62 62 ILE N N 15 123.601 0.1 . 1 . . . . . . . . 6355 1 738 . 1 1 63 63 GLU H H 1 8.617 0.02 . 1 . . . . . . . . 6355 1 739 . 1 1 63 63 GLU HA H 1 3.616 0.02 . 1 . . . . . . . . 6355 1 740 . 1 1 63 63 GLU HB2 H 1 2.102 0.02 . 2 . . . . . . . . 6355 1 741 . 1 1 63 63 GLU HB3 H 1 2.103 0.02 . 2 . . . . . . . . 6355 1 742 . 1 1 63 63 GLU HG2 H 1 2.157 0.02 . 2 . . . . . . . . 6355 1 743 . 1 1 63 63 GLU HG3 H 1 2.160 0.02 . 2 . . . . . . . . 6355 1 744 . 1 1 63 63 GLU C C 13 177.800 0.1 . 1 . . . . . . . . 6355 1 745 . 1 1 63 63 GLU CA C 13 60.946 0.1 . 1 . . . . . . . . 6355 1 746 . 1 1 63 63 GLU CB C 13 30.306 0.1 . 1 . . . . . . . . 6355 1 747 . 1 1 63 63 GLU CG C 13 37.327 0.1 . 1 . . . . . . . . 6355 1 748 . 1 1 63 63 GLU N N 15 119.383 0.1 . 1 . . . . . . . . 6355 1 749 . 1 1 64 64 ARG H H 1 8.023 0.02 . 1 . . . . . . . . 6355 1 750 . 1 1 64 64 ARG HA H 1 4.108 0.02 . 1 . . . . . . . . 6355 1 751 . 1 1 64 64 ARG HB2 H 1 1.963 0.02 . 2 . . . . . . . . 6355 1 752 . 1 1 64 64 ARG HB3 H 1 1.904 0.02 . 2 . . . . . . . . 6355 1 753 . 1 1 64 64 ARG HG2 H 1 1.787 0.02 . 2 . . . . . . . . 6355 1 754 . 1 1 64 64 ARG HG3 H 1 1.606 0.02 . 2 . . . . . . . . 6355 1 755 . 1 1 64 64 ARG HD2 H 1 3.224 0.02 . 1 . . . . . . . . 6355 1 756 . 1 1 64 64 ARG HD3 H 1 3.224 0.02 . 1 . . . . . . . . 6355 1 757 . 1 1 64 64 ARG HE H 1 7.385 0.02 . 1 . . . . . . . . 6355 1 758 . 1 1 64 64 ARG C C 13 178.500 0.1 . 1 . . . . . . . . 6355 1 759 . 1 1 64 64 ARG CA C 13 59.873 0.1 . 1 . . . . . . . . 6355 1 760 . 1 1 64 64 ARG CB C 13 30.265 0.1 . 1 . . . . . . . . 6355 1 761 . 1 1 64 64 ARG CG C 13 27.383 0.1 . 1 . . . . . . . . 6355 1 762 . 1 1 64 64 ARG CD C 13 43.750 0.1 . 1 . . . . . . . . 6355 1 763 . 1 1 64 64 ARG N N 15 118.106 0.1 . 1 . . . . . . . . 6355 1 764 . 1 1 64 64 ARG NE N 15 84.606 0.1 . 1 . . . . . . . . 6355 1 765 . 1 1 65 65 ALA H H 1 7.482 0.02 . 1 . . . . . . . . 6355 1 766 . 1 1 65 65 ALA HA H 1 4.216 0.02 . 1 . . . . . . . . 6355 1 767 . 1 1 65 65 ALA HB1 H 1 1.429 0.02 . 1 . . . . . . . . 6355 1 768 . 1 1 65 65 ALA HB2 H 1 1.429 0.02 . 1 . . . . . . . . 6355 1 769 . 1 1 65 65 ALA HB3 H 1 1.429 0.02 . 1 . . . . . . . . 6355 1 770 . 1 1 65 65 ALA C C 13 180.200 0.1 . 1 . . . . . . . . 6355 1 771 . 1 1 65 65 ALA CA C 13 55.327 0.1 . 1 . . . . . . . . 6355 1 772 . 1 1 65 65 ALA CB C 13 18.928 0.1 . 1 . . . . . . . . 6355 1 773 . 1 1 65 65 ALA N N 15 120.734 0.1 . 1 . . . . . . . . 6355 1 774 . 1 1 66 66 LEU H H 1 8.373 0.02 . 1 . . . . . . . . 6355 1 775 . 1 1 66 66 LEU HA H 1 3.957 0.02 . 1 . . . . . . . . 6355 1 776 . 1 1 66 66 LEU HB2 H 1 1.878 0.02 . 2 . . . . . . . . 6355 1 777 . 1 1 66 66 LEU HB3 H 1 1.097 0.02 . 2 . . . . . . . . 6355 1 778 . 1 1 66 66 LEU HG H 1 1.885 0.02 . 1 . . . . . . . . 6355 1 779 . 1 1 66 66 LEU HD11 H 1 0.856 0.02 . 2 . . . . . . . . 6355 1 780 . 1 1 66 66 LEU HD12 H 1 0.856 0.02 . 2 . . . . . . . . 6355 1 781 . 1 1 66 66 LEU HD13 H 1 0.856 0.02 . 2 . . . . . . . . 6355 1 782 . 1 1 66 66 LEU HD21 H 1 0.745 0.02 . 2 . . . . . . . . 6355 1 783 . 1 1 66 66 LEU HD22 H 1 0.745 0.02 . 2 . . . . . . . . 6355 1 784 . 1 1 66 66 LEU HD23 H 1 0.745 0.02 . 2 . . . . . . . . 6355 1 785 . 1 1 66 66 LEU C C 13 178.200 0.1 . 1 . . . . . . . . 6355 1 786 . 1 1 66 66 LEU CA C 13 58.303 0.1 . 1 . . . . . . . . 6355 1 787 . 1 1 66 66 LEU CB C 13 42.202 0.1 . 1 . . . . . . . . 6355 1 788 . 1 1 66 66 LEU CG C 13 26.889 0.1 . 1 . . . . . . . . 6355 1 789 . 1 1 66 66 LEU CD1 C 13 24.595 0.1 . 2 . . . . . . . . 6355 1 790 . 1 1 66 66 LEU CD2 C 13 23.267 0.1 . 2 . . . . . . . . 6355 1 791 . 1 1 66 66 LEU N N 15 115.619 0.1 . 1 . . . . . . . . 6355 1 792 . 1 1 67 67 HIS H H 1 8.300 0.02 . 1 . . . . . . . . 6355 1 793 . 1 1 67 67 HIS HA H 1 4.430 0.02 . 1 . . . . . . . . 6355 1 794 . 1 1 67 67 HIS HB2 H 1 3.300 0.02 . 2 . . . . . . . . 6355 1 795 . 1 1 67 67 HIS HB3 H 1 3.239 0.02 . 2 . . . . . . . . 6355 1 796 . 1 1 67 67 HIS C C 13 177.300 0.1 . 1 . . . . . . . . 6355 1 797 . 1 1 67 67 HIS CA C 13 58.696 0.1 . 1 . . . . . . . . 6355 1 798 . 1 1 67 67 HIS CB C 13 28.813 0.1 . 1 . . . . . . . . 6355 1 799 . 1 1 67 67 HIS N N 15 114.732 0.1 . 1 . . . . . . . . 6355 1 800 . 1 1 67 67 HIS CD2 C 13 120.83 0.1 . 2 . . . . . . . . 6355 1 801 . 1 1 67 67 HIS HD2 H 1 7.295 0.02 . 2 . . . . . . . . 6355 1 802 . 1 1 67 67 HIS CE1 C 13 137.91 0.1 . 2 . . . . . . . . 6355 1 803 . 1 1 67 67 HIS HE1 H 1 7.241 0.02 . 2 . . . . . . . . 6355 1 804 . 1 1 68 68 GLU H H 1 7.905 0.02 . 1 . . . . . . . . 6355 1 805 . 1 1 68 68 GLU HA H 1 4.092 0.02 . 1 . . . . . . . . 6355 1 806 . 1 1 68 68 GLU HB2 H 1 2.204 0.02 . 2 . . . . . . . . 6355 1 807 . 1 1 68 68 GLU HB3 H 1 2.090 0.02 . 2 . . . . . . . . 6355 1 808 . 1 1 68 68 GLU HG2 H 1 2.370 0.02 . 2 . . . . . . . . 6355 1 809 . 1 1 68 68 GLU HG3 H 1 2.440 0.02 . 2 . . . . . . . . 6355 1 810 . 1 1 68 68 GLU C C 13 178.300 0.1 . 1 . . . . . . . . 6355 1 811 . 1 1 68 68 GLU CA C 13 58.897 0.1 . 1 . . . . . . . . 6355 1 812 . 1 1 68 68 GLU CB C 13 30.519 0.1 . 1 . . . . . . . . 6355 1 813 . 1 1 68 68 GLU CG C 13 36.857 0.1 . 1 . . . . . . . . 6355 1 814 . 1 1 68 68 GLU N N 15 116.406 0.1 . 1 . . . . . . . . 6355 1 815 . 1 1 69 69 GLU H H 1 7.800 0.02 . 1 . . . . . . . . 6355 1 816 . 1 1 69 69 GLU HA H 1 4.444 0.02 . 1 . . . . . . . . 6355 1 817 . 1 1 69 69 GLU HB2 H 1 2.180 0.02 . 2 . . . . . . . . 6355 1 818 . 1 1 69 69 GLU HB3 H 1 1.897 0.02 . 2 . . . . . . . . 6355 1 819 . 1 1 69 69 GLU HG2 H 1 2.424 0.02 . 2 . . . . . . . . 6355 1 820 . 1 1 69 69 GLU HG3 H 1 2.251 0.02 . 2 . . . . . . . . 6355 1 821 . 1 1 69 69 GLU C C 13 176.500 0.1 . 1 . . . . . . . . 6355 1 822 . 1 1 69 69 GLU CA C 13 58.201 0.1 . 1 . . . . . . . . 6355 1 823 . 1 1 69 69 GLU CB C 13 33.313 0.1 . 1 . . . . . . . . 6355 1 824 . 1 1 69 69 GLU CG C 13 37.243 0.1 . 1 . . . . . . . . 6355 1 825 . 1 1 69 69 GLU N N 15 114.738 0.1 . 1 . . . . . . . . 6355 1 826 . 1 1 70 70 VAL H H 1 8.503 0.02 . 1 . . . . . . . . 6355 1 827 . 1 1 70 70 VAL HA H 1 4.514 0.02 . 1 . . . . . . . . 6355 1 828 . 1 1 70 70 VAL HB H 1 2.295 0.02 . 1 . . . . . . . . 6355 1 829 . 1 1 70 70 VAL HG11 H 1 0.806 0.02 . 2 . . . . . . . . 6355 1 830 . 1 1 70 70 VAL HG12 H 1 0.806 0.02 . 2 . . . . . . . . 6355 1 831 . 1 1 70 70 VAL HG13 H 1 0.806 0.02 . 2 . . . . . . . . 6355 1 832 . 1 1 70 70 VAL HG21 H 1 0.784 0.02 . 2 . . . . . . . . 6355 1 833 . 1 1 70 70 VAL HG22 H 1 0.784 0.02 . 2 . . . . . . . . 6355 1 834 . 1 1 70 70 VAL HG23 H 1 0.784 0.02 . 2 . . . . . . . . 6355 1 835 . 1 1 70 70 VAL CA C 13 59.721 0.1 . 1 . . . . . . . . 6355 1 836 . 1 1 70 70 VAL CB C 13 32.164 0.1 . 1 . . . . . . . . 6355 1 837 . 1 1 70 70 VAL CG1 C 13 22.580 0.1 . 2 . . . . . . . . 6355 1 838 . 1 1 70 70 VAL CG2 C 13 21.432 0.1 . 2 . . . . . . . . 6355 1 839 . 1 1 70 70 VAL N N 15 120.418 0.1 . 1 . . . . . . . . 6355 1 840 . 1 1 71 71 PRO HA H 1 4.347 0.02 . 1 . . . . . . . . 6355 1 841 . 1 1 71 71 PRO HB2 H 1 2.312 0.02 . 2 . . . . . . . . 6355 1 842 . 1 1 71 71 PRO HB3 H 1 1.861 0.02 . 2 . . . . . . . . 6355 1 843 . 1 1 71 71 PRO HG2 H 1 2.067 0.02 . 2 . . . . . . . . 6355 1 844 . 1 1 71 71 PRO HG3 H 1 1.939 0.02 . 2 . . . . . . . . 6355 1 845 . 1 1 71 71 PRO HD2 H 1 3.716 0.02 . 1 . . . . . . . . 6355 1 846 . 1 1 71 71 PRO HD3 H 1 3.716 0.02 . 1 . . . . . . . . 6355 1 847 . 1 1 71 71 PRO C C 13 177.600 0.1 . 1 . . . . . . . . 6355 1 848 . 1 1 71 71 PRO CA C 13 64.166 0.1 . 1 . . . . . . . . 6355 1 849 . 1 1 71 71 PRO CB C 13 32.167 0.1 . 1 . . . . . . . . 6355 1 850 . 1 1 71 71 PRO CG C 13 27.743 0.1 . 1 . . . . . . . . 6355 1 851 . 1 1 71 71 PRO CD C 13 50.993 0.1 . 1 . . . . . . . . 6355 1 852 . 1 1 72 72 GLY H H 1 8.531 0.02 . 1 . . . . . . . . 6355 1 853 . 1 1 72 72 GLY HA2 H 1 4.037 0.02 . 2 . . . . . . . . 6355 1 854 . 1 1 72 72 GLY HA3 H 1 3.692 0.02 . 2 . . . . . . . . 6355 1 855 . 1 1 72 72 GLY C C 13 174.700 0.1 . 1 . . . . . . . . 6355 1 856 . 1 1 72 72 GLY CA C 13 45.447 0.1 . 1 . . . . . . . . 6355 1 857 . 1 1 72 72 GLY N N 15 108.123 0.1 . 1 . . . . . . . . 6355 1 858 . 1 1 73 73 VAL H H 1 7.461 0.02 . 1 . . . . . . . . 6355 1 859 . 1 1 73 73 VAL HA H 1 3.779 0.02 . 1 . . . . . . . . 6355 1 860 . 1 1 73 73 VAL HB H 1 1.912 0.02 . 1 . . . . . . . . 6355 1 861 . 1 1 73 73 VAL HG11 H 1 0.550 0.02 . 2 . . . . . . . . 6355 1 862 . 1 1 73 73 VAL HG12 H 1 0.550 0.02 . 2 . . . . . . . . 6355 1 863 . 1 1 73 73 VAL HG13 H 1 0.550 0.02 . 2 . . . . . . . . 6355 1 864 . 1 1 73 73 VAL HG21 H 1 0.756 0.02 . 2 . . . . . . . . 6355 1 865 . 1 1 73 73 VAL HG22 H 1 0.756 0.02 . 2 . . . . . . . . 6355 1 866 . 1 1 73 73 VAL HG23 H 1 0.756 0.02 . 2 . . . . . . . . 6355 1 867 . 1 1 73 73 VAL C C 13 175.900 0.1 . 1 . . . . . . . . 6355 1 868 . 1 1 73 73 VAL CA C 13 64.359 0.1 . 1 . . . . . . . . 6355 1 869 . 1 1 73 73 VAL CB C 13 31.933 0.1 . 1 . . . . . . . . 6355 1 870 . 1 1 73 73 VAL CG1 C 13 21.201 0.1 . 2 . . . . . . . . 6355 1 871 . 1 1 73 73 VAL CG2 C 13 23.267 0.1 . 2 . . . . . . . . 6355 1 872 . 1 1 73 73 VAL N N 15 119.602 0.1 . 1 . . . . . . . . 6355 1 873 . 1 1 74 74 ILE H H 1 9.723 0.02 . 1 . . . . . . . . 6355 1 874 . 1 1 74 74 ILE HA H 1 4.224 0.02 . 1 . . . . . . . . 6355 1 875 . 1 1 74 74 ILE HB H 1 1.750 0.02 . 1 . . . . . . . . 6355 1 876 . 1 1 74 74 ILE HG12 H 1 1.645 0.02 . 2 . . . . . . . . 6355 1 877 . 1 1 74 74 ILE HG13 H 1 1.235 0.02 . 2 . . . . . . . . 6355 1 878 . 1 1 74 74 ILE HG21 H 1 0.947 0.02 . 1 . . . . . . . . 6355 1 879 . 1 1 74 74 ILE HG22 H 1 0.947 0.02 . 1 . . . . . . . . 6355 1 880 . 1 1 74 74 ILE HG23 H 1 0.947 0.02 . 1 . . . . . . . . 6355 1 881 . 1 1 74 74 ILE HD11 H 1 0.897 0.02 . 1 . . . . . . . . 6355 1 882 . 1 1 74 74 ILE HD12 H 1 0.897 0.02 . 1 . . . . . . . . 6355 1 883 . 1 1 74 74 ILE HD13 H 1 0.897 0.02 . 1 . . . . . . . . 6355 1 884 . 1 1 74 74 ILE C C 13 176.600 0.1 . 1 . . . . . . . . 6355 1 885 . 1 1 74 74 ILE CA C 13 62.521 0.1 . 1 . . . . . . . . 6355 1 886 . 1 1 74 74 ILE CB C 13 39.564 0.1 . 1 . . . . . . . . 6355 1 887 . 1 1 74 74 ILE CG1 C 13 27.710 0.1 . 1 . . . . . . . . 6355 1 888 . 1 1 74 74 ILE CG2 C 13 17.619 0.1 . 1 . . . . . . . . 6355 1 889 . 1 1 74 74 ILE CD1 C 13 12.448 0.1 . 1 . . . . . . . . 6355 1 890 . 1 1 74 74 ILE N N 15 129.741 0.1 . 1 . . . . . . . . 6355 1 891 . 1 1 75 75 GLU H H 1 7.580 0.02 . 1 . . . . . . . . 6355 1 892 . 1 1 75 75 GLU HA H 1 4.696 0.02 . 1 . . . . . . . . 6355 1 893 . 1 1 75 75 GLU HB2 H 1 2.059 0.02 . 2 . . . . . . . . 6355 1 894 . 1 1 75 75 GLU HB3 H 1 2.063 0.02 . 2 . . . . . . . . 6355 1 895 . 1 1 75 75 GLU HG2 H 1 2.167 0.02 . 2 . . . . . . . . 6355 1 896 . 1 1 75 75 GLU HG3 H 1 1.974 0.02 . 2 . . . . . . . . 6355 1 897 . 1 1 75 75 GLU C C 13 173.400 0.1 . 1 . . . . . . . . 6355 1 898 . 1 1 75 75 GLU CA C 13 55.202 0.1 . 1 . . . . . . . . 6355 1 899 . 1 1 75 75 GLU CB C 13 34.085 0.1 . 1 . . . . . . . . 6355 1 900 . 1 1 75 75 GLU CG C 13 35.840 0.1 . 1 . . . . . . . . 6355 1 901 . 1 1 75 75 GLU N N 15 116.735 0.1 . 1 . . . . . . . . 6355 1 902 . 1 1 76 76 VAL H H 1 8.891 0.02 . 1 . . . . . . . . 6355 1 903 . 1 1 76 76 VAL HA H 1 4.772 0.02 . 1 . . . . . . . . 6355 1 904 . 1 1 76 76 VAL HB H 1 1.948 0.02 . 1 . . . . . . . . 6355 1 905 . 1 1 76 76 VAL HG11 H 1 0.722 0.02 . 2 . . . . . . . . 6355 1 906 . 1 1 76 76 VAL HG12 H 1 0.722 0.02 . 2 . . . . . . . . 6355 1 907 . 1 1 76 76 VAL HG13 H 1 0.722 0.02 . 2 . . . . . . . . 6355 1 908 . 1 1 76 76 VAL HG21 H 1 0.699 0.02 . 2 . . . . . . . . 6355 1 909 . 1 1 76 76 VAL HG22 H 1 0.699 0.02 . 2 . . . . . . . . 6355 1 910 . 1 1 76 76 VAL HG23 H 1 0.699 0.02 . 2 . . . . . . . . 6355 1 911 . 1 1 76 76 VAL C C 13 174.200 0.1 . 1 . . . . . . . . 6355 1 912 . 1 1 76 76 VAL CA C 13 61.015 0.1 . 1 . . . . . . . . 6355 1 913 . 1 1 76 76 VAL CB C 13 33.533 0.1 . 1 . . . . . . . . 6355 1 914 . 1 1 76 76 VAL CG1 C 13 21.902 0.1 . 1 . . . . . . . . 6355 1 915 . 1 1 76 76 VAL CG2 C 13 21.902 0.1 . 1 . . . . . . . . 6355 1 916 . 1 1 76 76 VAL N N 15 122.101 0.1 . 1 . . . . . . . . 6355 1 917 . 1 1 77 77 GLU H H 1 9.494 0.02 . 1 . . . . . . . . 6355 1 918 . 1 1 77 77 GLU HA H 1 4.602 0.02 . 1 . . . . . . . . 6355 1 919 . 1 1 77 77 GLU HB2 H 1 1.837 0.02 . 2 . . . . . . . . 6355 1 920 . 1 1 77 77 GLU HB3 H 1 1.756 0.02 . 2 . . . . . . . . 6355 1 921 . 1 1 77 77 GLU HG2 H 1 2.149 0.02 . 2 . . . . . . . . 6355 1 922 . 1 1 77 77 GLU HG3 H 1 1.978 0.02 . 2 . . . . . . . . 6355 1 923 . 1 1 77 77 GLU C C 13 174.600 0.1 . 1 . . . . . . . . 6355 1 924 . 1 1 77 77 GLU CA C 13 54.591 0.1 . 1 . . . . . . . . 6355 1 925 . 1 1 77 77 GLU CB C 13 33.519 0.1 . 1 . . . . . . . . 6355 1 926 . 1 1 77 77 GLU CG C 13 35.830 0.1 . 1 . . . . . . . . 6355 1 927 . 1 1 77 77 GLU N N 15 129.219 0.1 . 1 . . . . . . . . 6355 1 928 . 1 1 78 78 GLN H H 1 8.790 0.02 . 1 . . . . . . . . 6355 1 929 . 1 1 78 78 GLN HA H 1 4.921 0.02 . 1 . . . . . . . . 6355 1 930 . 1 1 78 78 GLN HB2 H 1 1.866 0.02 . 2 . . . . . . . . 6355 1 931 . 1 1 78 78 GLN HB3 H 1 1.610 0.02 . 2 . . . . . . . . 6355 1 932 . 1 1 78 78 GLN HG2 H 1 2.059 0.02 . 1 . . . . . . . . 6355 1 933 . 1 1 78 78 GLN HG3 H 1 1.733 0.02 . 1 . . . . . . . . 6355 1 934 . 1 1 78 78 GLN HE22 H 1 6.857 0.02 . 1 . . . . . . . . 6355 1 935 . 1 1 78 78 GLN HE21 H 1 7.646 0.02 . 1 . . . . . . . . 6355 1 936 . 1 1 78 78 GLN C C 13 175.200 0.1 . 1 . . . . . . . . 6355 1 937 . 1 1 78 78 GLN CA C 13 55.063 0.1 . 1 . . . . . . . . 6355 1 938 . 1 1 78 78 GLN CB C 13 29.654 0.1 . 1 . . . . . . . . 6355 1 939 . 1 1 78 78 GLN CG C 13 34.268 0.1 . 1 . . . . . . . . 6355 1 940 . 1 1 78 78 GLN N N 15 125.428 0.1 . 1 . . . . . . . . 6355 1 941 . 1 1 78 78 GLN NE2 N 15 110.542 0.1 . 1 . . . . . . . . 6355 1 942 . 1 1 79 79 VAL H H 1 8.383 0.02 . 1 . . . . . . . . 6355 1 943 . 1 1 79 79 VAL HA H 1 4.420 0.02 . 1 . . . . . . . . 6355 1 944 . 1 1 79 79 VAL HB H 1 1.992 0.02 . 1 . . . . . . . . 6355 1 945 . 1 1 79 79 VAL HG11 H 1 0.840 0.02 . 2 . . . . . . . . 6355 1 946 . 1 1 79 79 VAL HG12 H 1 0.840 0.02 . 2 . . . . . . . . 6355 1 947 . 1 1 79 79 VAL HG13 H 1 0.840 0.02 . 2 . . . . . . . . 6355 1 948 . 1 1 79 79 VAL HG21 H 1 0.685 0.02 . 2 . . . . . . . . 6355 1 949 . 1 1 79 79 VAL HG22 H 1 0.685 0.02 . 2 . . . . . . . . 6355 1 950 . 1 1 79 79 VAL HG23 H 1 0.685 0.02 . 2 . . . . . . . . 6355 1 951 . 1 1 79 79 VAL C C 13 174.400 0.1 . 1 . . . . . . . . 6355 1 952 . 1 1 79 79 VAL CA C 13 60.006 0.1 . 1 . . . . . . . . 6355 1 953 . 1 1 79 79 VAL CB C 13 34.366 0.1 . 1 . . . . . . . . 6355 1 954 . 1 1 79 79 VAL CG1 C 13 21.009 0.1 . 2 . . . . . . . . 6355 1 955 . 1 1 79 79 VAL CG2 C 13 21.902 0.1 . 2 . . . . . . . . 6355 1 956 . 1 1 79 79 VAL N N 15 121.725 0.1 . 1 . . . . . . . . 6355 1 957 . 1 1 80 80 PHE H H 1 8.710 0.02 . 1 . . . . . . . . 6355 1 958 . 1 1 80 80 PHE HA H 1 4.788 0.02 . 1 . . . . . . . . 6355 1 959 . 1 1 80 80 PHE HB2 H 1 3.132 0.02 . 2 . . . . . . . . 6355 1 960 . 1 1 80 80 PHE HB3 H 1 2.820 0.02 . 2 . . . . . . . . 6355 1 961 . 1 1 80 80 PHE C C 13 175.400 0.1 . 1 . . . . . . . . 6355 1 962 . 1 1 80 80 PHE CA C 13 57.495 0.1 . 1 . . . . . . . . 6355 1 963 . 1 1 80 80 PHE CB C 13 40.397 0.1 . 1 . . . . . . . . 6355 1 964 . 1 1 80 80 PHE N N 15 122.240 0.1 . 1 . . . . . . . . 6355 1 965 . 1 1 80 80 PHE CD1 C 13 132.188 0.1 . 1 . . . . . . . . 6355 1 966 . 1 1 80 80 PHE CD2 C 13 132.188 0.1 . 1 . . . . . . . . 6355 1 967 . 1 1 80 80 PHE CE1 C 13 132.0 0.1 . 1 . . . . . . . . 6355 1 968 . 1 1 80 80 PHE CE2 C 13 132.0 0.1 . 1 . . . . . . . . 6355 1 969 . 1 1 80 80 PHE CZ C 13 131.7 0.1 . 1 . . . . . . . . 6355 1 970 . 1 1 80 80 PHE HE1 H 1 7.25 0.02 . 1 . . . . . . . . 6355 1 971 . 1 1 80 80 PHE HE2 H 1 7.25 0.02 . 1 . . . . . . . . 6355 1 972 . 1 1 80 80 PHE HZ H 1 7.25 0.02 . 1 . . . . . . . . 6355 1 973 . 1 1 80 80 PHE HD1 H 1 7.25 0.02 . 1 . . . . . . . . 6355 1 974 . 1 1 80 80 PHE HD2 H 1 7.25 0.02 . 1 . . . . . . . . 6355 1 975 . 1 1 81 81 LEU H H 1 8.312 0.02 . 1 . . . . . . . . 6355 1 976 . 1 1 81 81 LEU HA H 1 4.374 0.02 . 1 . . . . . . . . 6355 1 977 . 1 1 81 81 LEU HB2 H 1 1.527 0.02 . 2 . . . . . . . . 6355 1 978 . 1 1 81 81 LEU HB3 H 1 1.523 0.02 . 2 . . . . . . . . 6355 1 979 . 1 1 81 81 LEU HG H 1 1.477 0.02 . 1 . . . . . . . . 6355 1 980 . 1 1 81 81 LEU HD11 H 1 0.822 0.02 . 2 . . . . . . . . 6355 1 981 . 1 1 81 81 LEU HD12 H 1 0.822 0.02 . 2 . . . . . . . . 6355 1 982 . 1 1 81 81 LEU HD13 H 1 0.822 0.02 . 2 . . . . . . . . 6355 1 983 . 1 1 81 81 LEU HD21 H 1 0.774 0.02 . 2 . . . . . . . . 6355 1 984 . 1 1 81 81 LEU HD22 H 1 0.774 0.02 . 2 . . . . . . . . 6355 1 985 . 1 1 81 81 LEU HD23 H 1 0.774 0.02 . 2 . . . . . . . . 6355 1 986 . 1 1 81 81 LEU C C 13 176.800 0.1 . 1 . . . . . . . . 6355 1 987 . 1 1 81 81 LEU CA C 13 55.170 0.1 . 1 . . . . . . . . 6355 1 988 . 1 1 81 81 LEU CB C 13 43.007 0.1 . 1 . . . . . . . . 6355 1 989 . 1 1 81 81 LEU CG C 13 27.489 0.1 . 1 . . . . . . . . 6355 1 990 . 1 1 81 81 LEU CD1 C 13 23.842 0.1 . 2 . . . . . . . . 6355 1 991 . 1 1 81 81 LEU CD2 C 13 25.086 0.1 . 2 . . . . . . . . 6355 1 992 . 1 1 81 81 LEU N N 15 124.014 0.1 . 1 . . . . . . . . 6355 1 993 . 1 1 82 82 GLU H H 1 8.554 0.02 . 1 . . . . . . . . 6355 1 994 . 1 1 82 82 GLU HA H 1 4.310 0.02 . 1 . . . . . . . . 6355 1 995 . 1 1 82 82 GLU HB2 H 1 1.985 0.02 . 2 . . . . . . . . 6355 1 996 . 1 1 82 82 GLU HB3 H 1 2.014 0.02 . 2 . . . . . . . . 6355 1 997 . 1 1 82 82 GLU HG2 H 1 2.279 0.02 . 2 . . . . . . . . 6355 1 998 . 1 1 82 82 GLU HG3 H 1 2.059 0.02 . 2 . . . . . . . . 6355 1 999 . 1 1 82 82 GLU C C 13 176.100 0.1 . 1 . . . . . . . . 6355 1 1000 . 1 1 82 82 GLU CA C 13 56.925 0.1 . 1 . . . . . . . . 6355 1 1001 . 1 1 82 82 GLU CB C 13 30.633 0.1 . 1 . . . . . . . . 6355 1 1002 . 1 1 82 82 GLU CG C 13 36.439 0.1 . 1 . . . . . . . . 6355 1 1003 . 1 1 82 82 GLU N N 15 121.447 0.1 . 1 . . . . . . . . 6355 1 stop_ save_