data_11250 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11250 _Entry.Title ; Structure and function of the N-terminal nucleolin binding domain of nuclear valocine containing protein like 2 (NVL2) harboring a nucleolar localization signal. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-02 _Entry.Accession_date 2010-08-02 _Entry.Last_release_date 2011-06-24 _Entry.Original_release_date 2011-06-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details '20 structure ensemble' _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 Yoshie Fujiwara . . . 11250 2 Ken-ichiro Fujiwara . . . 11250 3 Natsuko Goda . . . 11250 4 Naoko Iwaya . . . 11250 5 Takeshi Tenno . . . 11250 6 Masahiro Shirakawa . . . 11250 7 Hidekazu Hiroaki . . . 11250 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alternative splicing' . 11250 'nucleolar localization signal' . 11250 PROTEIN . 11250 'RNA interaction' . 11250 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11250 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 265 11250 '15N chemical shifts' 77 11250 '1H chemical shifts' 525 11250 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 . . 2011-06-24 2010-08-02 original author . 11250 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RRE 'BMRB Entry Tracking System' 11250 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11250 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21474449 _Citation.Full_citation . _Citation.Title 'Structure and Function of the N-terminal Nucleolin Binding Domain of Nuclear Valosin-containing Protein-like 2 (NVL2) Harboring a Nucleolar Localization Signal.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 24 _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 21732 _Citation.Page_last 21741 _Citation.Year 2011 _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 Yoshie Fujiwara . . . 11250 1 2 Ken-Ichiro Fujiwara . . . 11250 1 3 Natsuko Goda . . . 11250 1 4 Naoko Iwaya . . . 11250 1 5 Takeshi Tenno . . . 11250 1 6 Masahiro Shirakawa . . . 11250 1 7 Hidekazu Hiroaki . . . 11250 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AAA-ATPase 11250 1 'nucleolar localization signal' 11250 1 'ribosomal biogenesis' 11250 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 11250 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1110/ps.03439004 _Citation.PubMed_ID 14978305 _Citation.Full_citation . _Citation.Title ; The PRESAT-vector: asymmetric T-vector for high-throughput screening of soluble protein domains for structural proteomics. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein Science' _Citation.Journal_volume 13 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 652 _Citation.Page_last 658 _Citation.Year 2004 _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 Natsuko Goda . . . 11250 2 2 Takeshi Tenno . . . 11250 2 3 Hirotoshi Takasu . . . 11250 2 4 Hidekazu Hiroaki . . . 11250 2 5 Masahiro Shirakawa . . . 11250 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11250 _Assembly.ID 1 _Assembly.Name 'nuclear valocine containing protein like 2 (NVL2)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'NVL2 N-terminal domain' 1 $entity A . yes native no no . . . 11250 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11250 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'NVL2 N-terminal domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKPRPGVFVDRKLKQRVIQY LSSNRCGKYVDTGILASDLQ RLYSVDYGRRKRNAFRIQVE KVFSIISSEKELKN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8711.235 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2RRE . "Structure And Function Of The N-Terminal Nucleolin Binding Domain Of Nuclear Valocine Containing Protein Like 2 (Nvl2) Harborin" . . . . . 100.00 78 100.00 100.00 1.80e-44 . . . . 11250 1 2 no DBJ BAB23464 . "unnamed protein product [Mus musculus]" . . . . . 100.00 855 100.00 100.00 8.73e-40 . . . . 11250 1 3 no DBJ BAB29099 . "unnamed protein product [Mus musculus]" . . . . . 100.00 226 100.00 100.00 5.07e-44 . . . . 11250 1 4 no DBJ BAE24409 . "unnamed protein product [Mus musculus]" . . . . . 100.00 855 100.00 100.00 8.73e-40 . . . . 11250 1 5 no GB AAH31847 . "Nuclear VCP-like [Mus musculus]" . . . . . 100.00 855 100.00 100.00 9.45e-40 . . . . 11250 1 6 no GB EDL13131 . "nuclear VCP-like [Mus musculus]" . . . . . 100.00 855 100.00 100.00 8.73e-40 . . . . 11250 1 7 no REF NP_080447 . "nuclear valosin-containing protein-like [Mus musculus]" . . . . . 100.00 855 100.00 100.00 8.73e-40 . . . . 11250 1 8 no REF XP_006497028 . "PREDICTED: nuclear valosin-containing protein-like isoform X3 [Mus musculus]" . . . . . 100.00 748 100.00 100.00 4.73e-40 . . . . 11250 1 9 no REF XP_006497030 . "PREDICTED: nuclear valosin-containing protein-like isoform X5 [Mus musculus]" . . . . . 100.00 450 100.00 100.00 7.63e-42 . . . . 11250 1 10 no SP Q9DBY8 . "RecName: Full=Nuclear valosin-containing protein-like; Short=NVLp; Short=Nuclear VCP-like protein" . . . . . 100.00 855 100.00 100.00 8.73e-40 . . . . 11250 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 . 11250 1 2 . LYS . 11250 1 3 . PRO . 11250 1 4 . ARG . 11250 1 5 . PRO . 11250 1 6 . GLY . 11250 1 7 . VAL . 11250 1 8 . PHE . 11250 1 9 . VAL . 11250 1 10 . ASP . 11250 1 11 . ARG . 11250 1 12 . LYS . 11250 1 13 . LEU . 11250 1 14 . LYS . 11250 1 15 . GLN . 11250 1 16 . ARG . 11250 1 17 . VAL . 11250 1 18 . ILE . 11250 1 19 . GLN . 11250 1 20 . TYR . 11250 1 21 . LEU . 11250 1 22 . SER . 11250 1 23 . SER . 11250 1 24 . ASN . 11250 1 25 . ARG . 11250 1 26 . CYS . 11250 1 27 . GLY . 11250 1 28 . LYS . 11250 1 29 . TYR . 11250 1 30 . VAL . 11250 1 31 . ASP . 11250 1 32 . THR . 11250 1 33 . GLY . 11250 1 34 . ILE . 11250 1 35 . LEU . 11250 1 36 . ALA . 11250 1 37 . SER . 11250 1 38 . ASP . 11250 1 39 . LEU . 11250 1 40 . GLN . 11250 1 41 . ARG . 11250 1 42 . LEU . 11250 1 43 . TYR . 11250 1 44 . SER . 11250 1 45 . VAL . 11250 1 46 . ASP . 11250 1 47 . TYR . 11250 1 48 . GLY . 11250 1 49 . ARG . 11250 1 50 . ARG . 11250 1 51 . LYS . 11250 1 52 . ARG . 11250 1 53 . ASN . 11250 1 54 . ALA . 11250 1 55 . PHE . 11250 1 56 . ARG . 11250 1 57 . ILE . 11250 1 58 . GLN . 11250 1 59 . VAL . 11250 1 60 . GLU . 11250 1 61 . LYS . 11250 1 62 . VAL . 11250 1 63 . PHE . 11250 1 64 . SER . 11250 1 65 . ILE . 11250 1 66 . ILE . 11250 1 67 . SER . 11250 1 68 . SER . 11250 1 69 . GLU . 11250 1 70 . LYS . 11250 1 71 . GLU . 11250 1 72 . LEU . 11250 1 73 . LYS . 11250 1 74 . ASN . 11250 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 11250 1 . LYS 2 2 11250 1 . PRO 3 3 11250 1 . ARG 4 4 11250 1 . PRO 5 5 11250 1 . GLY 6 6 11250 1 . VAL 7 7 11250 1 . PHE 8 8 11250 1 . VAL 9 9 11250 1 . ASP 10 10 11250 1 . ARG 11 11 11250 1 . LYS 12 12 11250 1 . LEU 13 13 11250 1 . LYS 14 14 11250 1 . GLN 15 15 11250 1 . ARG 16 16 11250 1 . VAL 17 17 11250 1 . ILE 18 18 11250 1 . GLN 19 19 11250 1 . TYR 20 20 11250 1 . LEU 21 21 11250 1 . SER 22 22 11250 1 . SER 23 23 11250 1 . ASN 24 24 11250 1 . ARG 25 25 11250 1 . CYS 26 26 11250 1 . GLY 27 27 11250 1 . LYS 28 28 11250 1 . TYR 29 29 11250 1 . VAL 30 30 11250 1 . ASP 31 31 11250 1 . THR 32 32 11250 1 . GLY 33 33 11250 1 . ILE 34 34 11250 1 . LEU 35 35 11250 1 . ALA 36 36 11250 1 . SER 37 37 11250 1 . ASP 38 38 11250 1 . LEU 39 39 11250 1 . GLN 40 40 11250 1 . ARG 41 41 11250 1 . LEU 42 42 11250 1 . TYR 43 43 11250 1 . SER 44 44 11250 1 . VAL 45 45 11250 1 . ASP 46 46 11250 1 . TYR 47 47 11250 1 . GLY 48 48 11250 1 . ARG 49 49 11250 1 . ARG 50 50 11250 1 . LYS 51 51 11250 1 . ARG 52 52 11250 1 . ASN 53 53 11250 1 . ALA 54 54 11250 1 . PHE 55 55 11250 1 . ARG 56 56 11250 1 . ILE 57 57 11250 1 . GLN 58 58 11250 1 . VAL 59 59 11250 1 . GLU 60 60 11250 1 . LYS 61 61 11250 1 . VAL 62 62 11250 1 . PHE 63 63 11250 1 . SER 64 64 11250 1 . ILE 65 65 11250 1 . ILE 66 66 11250 1 . SER 67 67 11250 1 . SER 68 68 11250 1 . GLU 69 69 11250 1 . LYS 70 70 11250 1 . GLU 71 71 11250 1 . LEU 72 72 11250 1 . LYS 73 73 11250 1 . ASN 74 74 11250 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 11250 _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 $entity . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11250 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 11250 _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 $entity . 'recombinant technology' 'Escherichia coli' 'E. coli' . 469008 Escherichia coli BL21(DE3) pGEX . . . . . . . . . . . . . . pGEX-PRESAT-NVL2 . . . . 2 $reference_citation 11250 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11250 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 'NVL2 N-terminal domain' '[U-99% 15N]' . . 1 $entity . protein 1.2 . . mM . . . . 11250 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 25 . . mM . . . . 11250 1 3 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 11250 1 4 D2O 'natural abundance' . . . . . solvent 5 . . % . . . . 11250 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11250 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 'NVL2 N-terminal domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity . protein 0.6 . . mM . . . . 11250 2 2 'sodium phosphate' 'natural abundance' . . . . . buffer 25 . . mM . . . . 11250 2 3 D2O 'natural abundance' . . . . . solvent 100 . . % . . . . 11250 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11250 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 11250 1 pH 6.4 . pH 11250 1 pressure 1 . atm 11250 1 temperature 298 . K 11250 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11250 _Software.ID 1 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11250 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11250 1 'structure solution' 11250 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11250 _Software.ID 2 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11250 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11250 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11250 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11250 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11250 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11250 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11250 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11250 4 'peak picking' 11250 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11250 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11250 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11250 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11250 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 11250 1 2 spectrometer_2 Bruker DMX . 800 . . . 11250 1 3 spectrometer_3 Bruker Avance . 600 . . . 11250 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 11250 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11250 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11250 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11250 1 4 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11250 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11250 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11250 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11250 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11250 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 na indirect 0.251449530 . . . . . . . . . 11250 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 11250 1 N 15 water protons . . . . ppm 4.7 na indirect 0.101329118 . . . . . . . . . 11250 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11250 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11250 1 3 '3D HNCACB' 2 $sample_2 isotropic 11250 1 4 '3D H(CCO)NH' 2 $sample_2 isotropic 11250 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $SPARKY . . 11250 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.356 0.020 . 1 . . . . 1 MET HA . 11250 1 2 . 1 1 1 1 MET HB2 H 1 2.299 0.020 . 2 . . . . 1 MET HB2 . 11250 1 3 . 1 1 1 1 MET HB3 H 1 2.421 0.020 . 2 . . . . 1 MET HB3 . 11250 1 4 . 1 1 1 1 MET HG2 H 1 1.924 0.020 . 2 . . . . 1 MET HG2 . 11250 1 5 . 1 1 1 1 MET HG3 H 1 1.924 0.020 . 2 . . . . 1 MET HG3 . 11250 1 6 . 1 1 1 1 MET CA C 13 55.248 0.400 . 1 . . . . 1 MET CA . 11250 1 7 . 1 1 1 1 MET CB C 13 32.404 0.400 . 1 . . . . 1 MET CB . 11250 1 8 . 1 1 1 1 MET CG C 13 30.462 0.400 . 1 . . . . 1 MET CG . 11250 1 9 . 1 1 2 2 LYS H H 1 8.097 0.020 . 1 . . . . 2 LYS HN . 11250 1 10 . 1 1 2 2 LYS HA H 1 4.494 0.020 . 1 . . . . 2 LYS HA . 11250 1 11 . 1 1 2 2 LYS CA C 13 54.466 0.400 . 1 . . . . 2 LYS CA . 11250 1 12 . 1 1 2 2 LYS N N 15 123.783 0.400 . 1 . . . . 2 LYS N . 11250 1 13 . 1 1 3 3 PRO HA H 1 4.336 0.020 . 1 . . . . 3 PRO HA . 11250 1 14 . 1 1 3 3 PRO HB2 H 1 1.797 0.020 . 2 . . . . 3 PRO HB2 . 11250 1 15 . 1 1 3 3 PRO HB3 H 1 2.208 0.020 . 2 . . . . 3 PRO HB3 . 11250 1 16 . 1 1 3 3 PRO HD2 H 1 3.549 0.020 . 2 . . . . 3 PRO HD2 . 11250 1 17 . 1 1 3 3 PRO HD3 H 1 3.767 0.020 . 2 . . . . 3 PRO HD3 . 11250 1 18 . 1 1 3 3 PRO HG2 H 1 1.934 0.020 . 2 . . . . 3 PRO HG2 . 11250 1 19 . 1 1 3 3 PRO HG3 H 1 1.934 0.020 . 2 . . . . 3 PRO HG3 . 11250 1 20 . 1 1 3 3 PRO CA C 13 63.376 0.400 . 1 . . . . 3 PRO CA . 11250 1 21 . 1 1 3 3 PRO CB C 13 32.161 0.400 . 1 . . . . 3 PRO CB . 11250 1 22 . 1 1 3 3 PRO CD C 13 50.834 0.400 . 1 . . . . 3 PRO CD . 11250 1 23 . 1 1 3 3 PRO CG C 13 27.856 0.400 . 1 . . . . 3 PRO CG . 11250 1 24 . 1 1 4 4 ARG H H 1 8.379 0.020 . 1 . . . . 4 ARG HN . 11250 1 25 . 1 1 4 4 ARG CA C 13 54.061 0.400 . 1 . . . . 4 ARG CA . 11250 1 26 . 1 1 4 4 ARG CB C 13 29.942 0.400 . 1 . . . . 4 ARG CB . 11250 1 27 . 1 1 4 4 ARG N N 15 122.766 0.400 . 1 . . . . 4 ARG N . 11250 1 28 . 1 1 5 5 PRO HA H 1 4.361 0.020 . 1 . . . . 5 PRO HA . 11250 1 29 . 1 1 5 5 PRO HB2 H 1 2.234 0.020 . 2 . . . . 5 PRO HB2 . 11250 1 30 . 1 1 5 5 PRO HB3 H 1 2.234 0.020 . 2 . . . . 5 PRO HB3 . 11250 1 31 . 1 1 5 5 PRO HD2 H 1 2.681 0.020 . 2 . . . . 5 PRO HD2 . 11250 1 32 . 1 1 5 5 PRO HD3 H 1 2.861 0.020 . 2 . . . . 5 PRO HD3 . 11250 1 33 . 1 1 5 5 PRO CA C 13 63.702 0.400 . 1 . . . . 5 PRO CA . 11250 1 34 . 1 1 5 5 PRO CB C 13 32.253 0.400 . 1 . . . . 5 PRO CB . 11250 1 35 . 1 1 5 5 PRO CD C 13 50.785 0.400 . 1 . . . . 5 PRO CD . 11250 1 36 . 1 1 5 5 PRO CG C 13 27.518 0.400 . 1 . . . . 5 PRO CG . 11250 1 37 . 1 1 6 6 GLY H H 1 8.374 0.020 . 1 . . . . 6 GLY HN . 11250 1 38 . 1 1 6 6 GLY HA2 H 1 3.854 0.020 . 2 . . . . 6 GLY HA1 . 11250 1 39 . 1 1 6 6 GLY HA3 H 1 3.854 0.020 . 2 . . . . 6 GLY HA2 . 11250 1 40 . 1 1 6 6 GLY CA C 13 45.411 0.400 . 1 . . . . 6 GLY CA . 11250 1 41 . 1 1 6 6 GLY N N 15 109.122 0.400 . 1 . . . . 6 GLY N . 11250 1 42 . 1 1 7 7 VAL H H 1 7.743 0.020 . 1 . . . . 7 VAL HN . 11250 1 43 . 1 1 7 7 VAL HA H 1 4.008 0.020 . 1 . . . . 7 VAL HA . 11250 1 44 . 1 1 7 7 VAL HB H 1 1.924 0.020 . 1 . . . . 7 VAL HB . 11250 1 45 . 1 1 7 7 VAL HG11 H 1 0.781 0.020 . 2 . . . . 7 VAL HG1 . 11250 1 46 . 1 1 7 7 VAL HG12 H 1 0.781 0.020 . 2 . . . . 7 VAL HG1 . 11250 1 47 . 1 1 7 7 VAL HG13 H 1 0.781 0.020 . 2 . . . . 7 VAL HG1 . 11250 1 48 . 1 1 7 7 VAL HG21 H 1 0.771 0.020 . 2 . . . . 7 VAL HG2 . 11250 1 49 . 1 1 7 7 VAL HG22 H 1 0.771 0.020 . 2 . . . . 7 VAL HG2 . 11250 1 50 . 1 1 7 7 VAL HG23 H 1 0.771 0.020 . 2 . . . . 7 VAL HG2 . 11250 1 51 . 1 1 7 7 VAL CA C 13 62.407 0.400 . 1 . . . . 7 VAL CA . 11250 1 52 . 1 1 7 7 VAL CB C 13 32.578 0.400 . 1 . . . . 7 VAL CB . 11250 1 53 . 1 1 7 7 VAL CG1 C 13 20.489 0.400 . 1 . . . . 7 VAL CG1 . 11250 1 54 . 1 1 7 7 VAL CG2 C 13 20.489 0.400 . 1 . . . . 7 VAL CG2 . 11250 1 55 . 1 1 7 7 VAL N N 15 119.308 0.400 . 1 . . . . 7 VAL N . 11250 1 56 . 1 1 8 8 PHE H H 1 8.352 0.020 . 1 . . . . 8 PHE HN . 11250 1 57 . 1 1 8 8 PHE HA H 1 4.550 0.020 . 1 . . . . 8 PHE HA . 11250 1 58 . 1 1 8 8 PHE HB2 H 1 2.996 0.020 . 2 . . . . 8 PHE HB2 . 11250 1 59 . 1 1 8 8 PHE HB3 H 1 2.996 0.020 . 2 . . . . 8 PHE HB3 . 11250 1 60 . 1 1 8 8 PHE HD1 H 1 7.184 0.020 . 1 . . . . 8 PHE HD1 . 11250 1 61 . 1 1 8 8 PHE HD2 H 1 7.184 0.020 . 1 . . . . 8 PHE HD2 . 11250 1 62 . 1 1 8 8 PHE HE1 H 1 7.277 0.020 . 1 . . . . 8 PHE HE1 . 11250 1 63 . 1 1 8 8 PHE HE2 H 1 7.277 0.020 . 1 . . . . 8 PHE HE2 . 11250 1 64 . 1 1 8 8 PHE CA C 13 57.957 0.400 . 1 . . . . 8 PHE CA . 11250 1 65 . 1 1 8 8 PHE CB C 13 39.748 0.400 . 1 . . . . 8 PHE CB . 11250 1 66 . 1 1 8 8 PHE CD1 C 13 131.400 0.400 . 1 . . . . 8 PHE CD1 . 11250 1 67 . 1 1 8 8 PHE CD2 C 13 131.400 0.400 . 1 . . . . 8 PHE CD2 . 11250 1 68 . 1 1 8 8 PHE CE1 C 13 131.800 0.400 . 1 . . . . 8 PHE CE1 . 11250 1 69 . 1 1 8 8 PHE CE2 C 13 131.800 0.400 . 1 . . . . 8 PHE CE2 . 11250 1 70 . 1 1 8 8 PHE N N 15 125.068 0.400 . 1 . . . . 8 PHE N . 11250 1 71 . 1 1 9 9 VAL H H 1 7.792 0.020 . 1 . . . . 9 VAL HN . 11250 1 72 . 1 1 9 9 VAL HA H 1 3.931 0.020 . 1 . . . . 9 VAL HA . 11250 1 73 . 1 1 9 9 VAL HB H 1 1.852 0.020 . 1 . . . . 9 VAL HB . 11250 1 74 . 1 1 9 9 VAL HG11 H 1 0.773 0.020 . 2 . . . . 9 VAL HG1 . 11250 1 75 . 1 1 9 9 VAL HG12 H 1 0.773 0.020 . 2 . . . . 9 VAL HG1 . 11250 1 76 . 1 1 9 9 VAL HG13 H 1 0.773 0.020 . 2 . . . . 9 VAL HG1 . 11250 1 77 . 1 1 9 9 VAL HG21 H 1 0.715 0.020 . 2 . . . . 9 VAL HG2 . 11250 1 78 . 1 1 9 9 VAL HG22 H 1 0.715 0.020 . 2 . . . . 9 VAL HG2 . 11250 1 79 . 1 1 9 9 VAL HG23 H 1 0.715 0.020 . 2 . . . . 9 VAL HG2 . 11250 1 80 . 1 1 9 9 VAL CA C 13 61.814 0.400 . 1 . . . . 9 VAL CA . 11250 1 81 . 1 1 9 9 VAL CB C 13 33.775 0.400 . 1 . . . . 9 VAL CB . 11250 1 82 . 1 1 9 9 VAL CG1 C 13 20.393 0.400 . 1 . . . . 9 VAL CG1 . 11250 1 83 . 1 1 9 9 VAL CG2 C 13 20.393 0.400 . 1 . . . . 9 VAL CG2 . 11250 1 84 . 1 1 9 9 VAL N N 15 122.684 0.400 . 1 . . . . 9 VAL N . 11250 1 85 . 1 1 10 10 ASP H H 1 8.115 0.020 . 1 . . . . 10 ASP HN . 11250 1 86 . 1 1 10 10 ASP HA H 1 4.439 0.020 . 1 . . . . 10 ASP HA . 11250 1 87 . 1 1 10 10 ASP HB2 H 1 2.592 0.020 . 2 . . . . 10 ASP HB2 . 11250 1 88 . 1 1 10 10 ASP HB3 H 1 2.755 0.020 . 2 . . . . 10 ASP HB3 . 11250 1 89 . 1 1 10 10 ASP CA C 13 53.901 0.400 . 1 . . . . 10 ASP CA . 11250 1 90 . 1 1 10 10 ASP CB C 13 41.313 0.400 . 1 . . . . 10 ASP CB . 11250 1 91 . 1 1 10 10 ASP N N 15 125.092 0.400 . 1 . . . . 10 ASP N . 11250 1 92 . 1 1 11 11 ARG H H 1 8.451 0.020 . 1 . . . . 11 ARG HN . 11250 1 93 . 1 1 11 11 ARG HA H 1 3.833 0.020 . 1 . . . . 11 ARG HA . 11250 1 94 . 1 1 11 11 ARG HB2 H 1 1.828 0.020 . 2 . . . . 11 ARG HB2 . 11250 1 95 . 1 1 11 11 ARG HB3 H 1 1.828 0.020 . 2 . . . . 11 ARG HB3 . 11250 1 96 . 1 1 11 11 ARG HD2 H 1 3.166 0.020 . 2 . . . . 11 ARG HD2 . 11250 1 97 . 1 1 11 11 ARG HD3 H 1 3.166 0.020 . 2 . . . . 11 ARG HD3 . 11250 1 98 . 1 1 11 11 ARG HG2 H 1 1.653 0.020 . 2 . . . . 11 ARG HG2 . 11250 1 99 . 1 1 11 11 ARG HG3 H 1 1.571 0.020 . 2 . . . . 11 ARG HG3 . 11250 1 100 . 1 1 11 11 ARG CA C 13 59.721 0.400 . 1 . . . . 11 ARG CA . 11250 1 101 . 1 1 11 11 ARG CB C 13 30.153 0.400 . 1 . . . . 11 ARG CB . 11250 1 102 . 1 1 11 11 ARG CD C 13 43.255 0.400 . 1 . . . . 11 ARG CD . 11250 1 103 . 1 1 11 11 ARG CG C 13 27.711 0.400 . 1 . . . . 11 ARG CG . 11250 1 104 . 1 1 11 11 ARG N N 15 126.464 0.400 . 1 . . . . 11 ARG N . 11250 1 105 . 1 1 12 12 LYS H H 1 8.082 0.020 . 1 . . . . 12 LYS HN . 11250 1 106 . 1 1 12 12 LYS HA H 1 4.052 0.020 . 1 . . . . 12 LYS HA . 11250 1 107 . 1 1 12 12 LYS HB2 H 1 1.767 0.020 . 2 . . . . 12 LYS HB2 . 11250 1 108 . 1 1 12 12 LYS HB3 H 1 1.843 0.020 . 2 . . . . 12 LYS HB3 . 11250 1 109 . 1 1 12 12 LYS HD2 H 1 1.587 0.020 . 2 . . . . 12 LYS HD2 . 11250 1 110 . 1 1 12 12 LYS HD3 H 1 1.587 0.020 . 2 . . . . 12 LYS HD3 . 11250 1 111 . 1 1 12 12 LYS HE2 H 1 2.835 0.020 . 2 . . . . 12 LYS HE2 . 11250 1 112 . 1 1 12 12 LYS HE3 H 1 2.835 0.020 . 2 . . . . 12 LYS HE3 . 11250 1 113 . 1 1 12 12 LYS HG2 H 1 1.339 0.020 . 2 . . . . 12 LYS HG2 . 11250 1 114 . 1 1 12 12 LYS HG3 H 1 1.194 0.020 . 2 . . . . 12 LYS HG3 . 11250 1 115 . 1 1 12 12 LYS CA C 13 59.072 0.400 . 1 . . . . 12 LYS CA . 11250 1 116 . 1 1 12 12 LYS CB C 13 31.599 0.400 . 1 . . . . 12 LYS CB . 11250 1 117 . 1 1 12 12 LYS CD C 13 29.062 0.400 . 1 . . . . 12 LYS CD . 11250 1 118 . 1 1 12 12 LYS CE C 13 41.613 0.400 . 1 . . . . 12 LYS CE . 11250 1 119 . 1 1 12 12 LYS CG C 13 23.868 0.400 . 1 . . . . 12 LYS CG . 11250 1 120 . 1 1 12 12 LYS N N 15 121.299 0.400 . 1 . . . . 12 LYS N . 11250 1 121 . 1 1 13 13 LEU H H 1 7.769 0.020 . 1 . . . . 13 LEU HN . 11250 1 122 . 1 1 13 13 LEU HA H 1 4.072 0.020 . 1 . . . . 13 LEU HA . 11250 1 123 . 1 1 13 13 LEU HB2 H 1 1.768 0.020 . 2 . . . . 13 LEU HB2 . 11250 1 124 . 1 1 13 13 LEU HB3 H 1 1.444 0.020 . 2 . . . . 13 LEU HB3 . 11250 1 125 . 1 1 13 13 LEU HD11 H 1 0.626 0.020 . 1 . . . . 13 LEU HD1 . 11250 1 126 . 1 1 13 13 LEU HD12 H 1 0.626 0.020 . 1 . . . . 13 LEU HD1 . 11250 1 127 . 1 1 13 13 LEU HD13 H 1 0.626 0.020 . 1 . . . . 13 LEU HD1 . 11250 1 128 . 1 1 13 13 LEU HD21 H 1 0.577 0.020 . 1 . . . . 13 LEU HD2 . 11250 1 129 . 1 1 13 13 LEU HD22 H 1 0.577 0.020 . 1 . . . . 13 LEU HD2 . 11250 1 130 . 1 1 13 13 LEU HD23 H 1 0.577 0.020 . 1 . . . . 13 LEU HD2 . 11250 1 131 . 1 1 13 13 LEU HG H 1 1.287 0.020 . 1 . . . . 13 LEU HG . 11250 1 132 . 1 1 13 13 LEU CA C 13 58.029 0.400 . 1 . . . . 13 LEU CA . 11250 1 133 . 1 1 13 13 LEU CB C 13 41.249 0.400 . 1 . . . . 13 LEU CB . 11250 1 134 . 1 1 13 13 LEU CD1 C 13 22.806 0.400 . 1 . . . . 13 LEU CD1 . 11250 1 135 . 1 1 13 13 LEU CD2 C 13 25.973 0.400 . 1 . . . . 13 LEU CD2 . 11250 1 136 . 1 1 13 13 LEU CG C 13 27.566 0.400 . 1 . . . . 13 LEU CG . 11250 1 137 . 1 1 13 13 LEU N N 15 121.402 0.400 . 1 . . . . 13 LEU N . 11250 1 138 . 1 1 14 14 LYS H H 1 8.168 0.020 . 1 . . . . 14 LYS HN . 11250 1 139 . 1 1 14 14 LYS HA H 1 3.628 0.020 . 1 . . . . 14 LYS HA . 11250 1 140 . 1 1 14 14 LYS HB2 H 1 1.637 0.020 . 1 . . . . 14 LYS HB2 . 11250 1 141 . 1 1 14 14 LYS HB3 H 1 1.937 0.020 . 1 . . . . 14 LYS HB3 . 11250 1 142 . 1 1 14 14 LYS HD2 H 1 1.637 0.020 . 2 . . . . 14 LYS HD2 . 11250 1 143 . 1 1 14 14 LYS HD3 H 1 1.637 0.020 . 2 . . . . 14 LYS HD3 . 11250 1 144 . 1 1 14 14 LYS HE2 H 1 2.609 0.020 . 2 . . . . 14 LYS HE2 . 11250 1 145 . 1 1 14 14 LYS HE3 H 1 2.777 0.020 . 2 . . . . 14 LYS HE3 . 11250 1 146 . 1 1 14 14 LYS HG2 H 1 1.060 0.020 . 1 . . . . 14 LYS HG2 . 11250 1 147 . 1 1 14 14 LYS HG3 H 1 1.292 0.020 . 1 . . . . 14 LYS HG3 . 11250 1 148 . 1 1 14 14 LYS CA C 13 61.158 0.400 . 1 . . . . 14 LYS CA . 11250 1 149 . 1 1 14 14 LYS CB C 13 32.623 0.400 . 1 . . . . 14 LYS CB . 11250 1 150 . 1 1 14 14 LYS CD C 13 30.317 0.400 . 1 . . . . 14 LYS CD . 11250 1 151 . 1 1 14 14 LYS CE C 13 42.096 0.400 . 1 . . . . 14 LYS CE . 11250 1 152 . 1 1 14 14 LYS CG C 13 25.587 0.400 . 1 . . . . 14 LYS CG . 11250 1 153 . 1 1 14 14 LYS N N 15 117.714 0.400 . 1 . . . . 14 LYS N . 11250 1 154 . 1 1 15 15 GLN H H 1 7.957 0.020 . 1 . . . . 15 GLN HN . 11250 1 155 . 1 1 15 15 GLN HA H 1 3.951 0.020 . 1 . . . . 15 GLN HA . 11250 1 156 . 1 1 15 15 GLN HB2 H 1 2.172 0.020 . 2 . . . . 15 GLN HB2 . 11250 1 157 . 1 1 15 15 GLN HB3 H 1 2.172 0.020 . 2 . . . . 15 GLN HB3 . 11250 1 158 . 1 1 15 15 GLN HE21 H 1 6.816 0.020 . 2 . . . . 15 GLN HE21 . 11250 1 159 . 1 1 15 15 GLN HE22 H 1 7.401 0.020 . 2 . . . . 15 GLN HE22 . 11250 1 160 . 1 1 15 15 GLN HG2 H 1 2.469 0.020 . 1 . . . . 15 GLN HG2 . 11250 1 161 . 1 1 15 15 GLN HG3 H 1 2.382 0.020 . 1 . . . . 15 GLN HG3 . 11250 1 162 . 1 1 15 15 GLN CA C 13 59.100 0.400 . 1 . . . . 15 GLN CA . 11250 1 163 . 1 1 15 15 GLN CB C 13 28.109 0.400 . 1 . . . . 15 GLN CB . 11250 1 164 . 1 1 15 15 GLN CG C 13 33.745 0.400 . 1 . . . . 15 GLN CG . 11250 1 165 . 1 1 15 15 GLN N N 15 116.791 0.400 . 1 . . . . 15 GLN N . 11250 1 166 . 1 1 15 15 GLN NE2 N 15 111.200 0.400 . 1 . . . . 15 GLN NE2 . 11250 1 167 . 1 1 16 16 ARG H H 1 8.170 0.020 . 1 . . . . 16 ARG HN . 11250 1 168 . 1 1 16 16 ARG HA H 1 4.059 0.020 . 1 . . . . 16 ARG HA . 11250 1 169 . 1 1 16 16 ARG HB2 H 1 1.672 0.020 . 1 . . . . 16 ARG HB2 . 11250 1 170 . 1 1 16 16 ARG HB3 H 1 1.809 0.020 . 1 . . . . 16 ARG HB3 . 11250 1 171 . 1 1 16 16 ARG HD2 H 1 2.713 0.020 . 2 . . . . 16 ARG HD2 . 11250 1 172 . 1 1 16 16 ARG HD3 H 1 2.713 0.020 . 2 . . . . 16 ARG HD3 . 11250 1 173 . 1 1 16 16 ARG CA C 13 60.193 0.400 . 1 . . . . 16 ARG CA . 11250 1 174 . 1 1 16 16 ARG CB C 13 29.618 0.400 . 1 . . . . 16 ARG CB . 11250 1 175 . 1 1 16 16 ARG CD C 13 43.544 0.400 . 1 . . . . 16 ARG CD . 11250 1 176 . 1 1 16 16 ARG CG C 13 28.242 0.400 . 1 . . . . 16 ARG CG . 11250 1 177 . 1 1 16 16 ARG N N 15 119.792 0.400 . 1 . . . . 16 ARG N . 11250 1 178 . 1 1 17 17 VAL H H 1 8.695 0.020 . 1 . . . . 17 VAL HN . 11250 1 179 . 1 1 17 17 VAL HA H 1 3.599 0.020 . 1 . . . . 17 VAL HA . 11250 1 180 . 1 1 17 17 VAL HB H 1 2.177 0.020 . 1 . . . . 17 VAL HB . 11250 1 181 . 1 1 17 17 VAL HG11 H 1 0.986 0.020 . 1 . . . . 17 VAL HG1 . 11250 1 182 . 1 1 17 17 VAL HG12 H 1 0.986 0.020 . 1 . . . . 17 VAL HG1 . 11250 1 183 . 1 1 17 17 VAL HG13 H 1 0.986 0.020 . 1 . . . . 17 VAL HG1 . 11250 1 184 . 1 1 17 17 VAL HG21 H 1 0.852 0.020 . 1 . . . . 17 VAL HG2 . 11250 1 185 . 1 1 17 17 VAL HG22 H 1 0.852 0.020 . 1 . . . . 17 VAL HG2 . 11250 1 186 . 1 1 17 17 VAL HG23 H 1 0.852 0.020 . 1 . . . . 17 VAL HG2 . 11250 1 187 . 1 1 17 17 VAL CA C 13 68.174 0.400 . 1 . . . . 17 VAL CA . 11250 1 188 . 1 1 17 17 VAL CB C 13 31.221 0.400 . 1 . . . . 17 VAL CB . 11250 1 189 . 1 1 17 17 VAL CG1 C 13 22.710 0.400 . 1 . . . . 17 VAL CG1 . 11250 1 190 . 1 1 17 17 VAL CG2 C 13 22.710 0.400 . 1 . . . . 17 VAL CG2 . 11250 1 191 . 1 1 17 17 VAL N N 15 122.807 0.400 . 1 . . . . 17 VAL N . 11250 1 192 . 1 1 18 18 ILE H H 1 8.294 0.020 . 1 . . . . 18 ILE HN . 11250 1 193 . 1 1 18 18 ILE HA H 1 3.558 0.020 . 1 . . . . 18 ILE HA . 11250 1 194 . 1 1 18 18 ILE HB H 1 1.918 0.020 . 1 . . . . 18 ILE HB . 11250 1 195 . 1 1 18 18 ILE HD11 H 1 0.806 0.020 . 1 . . . . 18 ILE HD1 . 11250 1 196 . 1 1 18 18 ILE HD12 H 1 0.806 0.020 . 1 . . . . 18 ILE HD1 . 11250 1 197 . 1 1 18 18 ILE HD13 H 1 0.806 0.020 . 1 . . . . 18 ILE HD1 . 11250 1 198 . 1 1 18 18 ILE HG12 H 1 1.005 0.020 . 1 . . . . 18 ILE HG12 . 11250 1 199 . 1 1 18 18 ILE HG13 H 1 1.776 0.020 . 1 . . . . 18 ILE HG13 . 11250 1 200 . 1 1 18 18 ILE HG21 H 1 0.872 0.020 . 1 . . . . 18 ILE HG2 . 11250 1 201 . 1 1 18 18 ILE HG22 H 1 0.872 0.020 . 1 . . . . 18 ILE HG2 . 11250 1 202 . 1 1 18 18 ILE HG23 H 1 0.872 0.020 . 1 . . . . 18 ILE HG2 . 11250 1 203 . 1 1 18 18 ILE CA C 13 66.854 0.400 . 1 . . . . 18 ILE CA . 11250 1 204 . 1 1 18 18 ILE CB C 13 37.998 0.400 . 1 . . . . 18 ILE CB . 11250 1 205 . 1 1 18 18 ILE CD1 C 13 13.635 0.400 . 1 . . . . 18 ILE CD1 . 11250 1 206 . 1 1 18 18 ILE CG1 C 13 30.752 0.400 . 1 . . . . 18 ILE CG1 . 11250 1 207 . 1 1 18 18 ILE CG2 C 13 16.555 0.400 . 1 . . . . 18 ILE CG2 . 11250 1 208 . 1 1 18 18 ILE N N 15 120.841 0.400 . 1 . . . . 18 ILE N . 11250 1 209 . 1 1 19 19 GLN H H 1 8.436 0.020 . 1 . . . . 19 GLN HN . 11250 1 210 . 1 1 19 19 GLN HA H 1 4.056 0.020 . 1 . . . . 19 GLN HA . 11250 1 211 . 1 1 19 19 GLN HB2 H 1 2.198 0.020 . 2 . . . . 19 GLN HB2 . 11250 1 212 . 1 1 19 19 GLN HB3 H 1 2.198 0.020 . 2 . . . . 19 GLN HB3 . 11250 1 213 . 1 1 19 19 GLN HE21 H 1 7.369 0.020 . 2 . . . . 19 GLN HE21 . 11250 1 214 . 1 1 19 19 GLN HE22 H 1 6.803 0.020 . 2 . . . . 19 GLN HE22 . 11250 1 215 . 1 1 19 19 GLN HG2 H 1 2.497 0.020 . 2 . . . . 19 GLN HG2 . 11250 1 216 . 1 1 19 19 GLN HG3 H 1 2.497 0.020 . 2 . . . . 19 GLN HG3 . 11250 1 217 . 1 1 19 19 GLN CA C 13 59.467 0.400 . 1 . . . . 19 GLN CA . 11250 1 218 . 1 1 19 19 GLN CB C 13 28.252 0.400 . 1 . . . . 19 GLN CB . 11250 1 219 . 1 1 19 19 GLN CG C 13 33.793 0.400 . 1 . . . . 19 GLN CG . 11250 1 220 . 1 1 19 19 GLN N N 15 119.259 0.400 . 1 . . . . 19 GLN N . 11250 1 221 . 1 1 19 19 GLN NE2 N 15 110.600 0.400 . 1 . . . . 19 GLN NE2 . 11250 1 222 . 1 1 20 20 TYR H H 1 8.098 0.020 . 1 . . . . 20 TYR HN . 11250 1 223 . 1 1 20 20 TYR HA H 1 4.067 0.020 . 1 . . . . 20 TYR HA . 11250 1 224 . 1 1 20 20 TYR HB2 H 1 3.088 0.020 . 1 . . . . 20 TYR HB2 . 11250 1 225 . 1 1 20 20 TYR HB3 H 1 3.314 0.020 . 1 . . . . 20 TYR HB3 . 11250 1 226 . 1 1 20 20 TYR HD1 H 1 6.804 0.020 . 1 . . . . 20 TYR HD1 . 11250 1 227 . 1 1 20 20 TYR HD2 H 1 6.804 0.020 . 1 . . . . 20 TYR HD2 . 11250 1 228 . 1 1 20 20 TYR HE1 H 1 6.720 0.020 . 1 . . . . 20 TYR HE1 . 11250 1 229 . 1 1 20 20 TYR HE2 H 1 6.720 0.020 . 1 . . . . 20 TYR HE2 . 11250 1 230 . 1 1 20 20 TYR CA C 13 62.237 0.400 . 1 . . . . 20 TYR CA . 11250 1 231 . 1 1 20 20 TYR CB C 13 38.757 0.400 . 1 . . . . 20 TYR CB . 11250 1 232 . 1 1 20 20 TYR CD1 C 13 133.000 0.400 . 1 . . . . 20 TYR CD1 . 11250 1 233 . 1 1 20 20 TYR CD2 C 13 133.000 0.400 . 1 . . . . 20 TYR CD2 . 11250 1 234 . 1 1 20 20 TYR CE1 C 13 118.100 0.400 . 1 . . . . 20 TYR CE1 . 11250 1 235 . 1 1 20 20 TYR CE2 C 13 118.100 0.400 . 1 . . . . 20 TYR CE2 . 11250 1 236 . 1 1 20 20 TYR N N 15 122.514 0.400 . 1 . . . . 20 TYR N . 11250 1 237 . 1 1 21 21 LEU H H 1 8.680 0.020 . 1 . . . . 21 LEU HN . 11250 1 238 . 1 1 21 21 LEU HA H 1 4.157 0.020 . 1 . . . . 21 LEU HA . 11250 1 239 . 1 1 21 21 LEU HB2 H 1 1.565 0.020 . 1 . . . . 21 LEU HB2 . 11250 1 240 . 1 1 21 21 LEU HB3 H 1 2.008 0.020 . 1 . . . . 21 LEU HB3 . 11250 1 241 . 1 1 21 21 LEU HD11 H 1 0.942 0.020 . 1 . . . . 21 LEU HD1 . 11250 1 242 . 1 1 21 21 LEU HD12 H 1 0.942 0.020 . 1 . . . . 21 LEU HD1 . 11250 1 243 . 1 1 21 21 LEU HD13 H 1 0.942 0.020 . 1 . . . . 21 LEU HD1 . 11250 1 244 . 1 1 21 21 LEU HD21 H 1 0.843 0.020 . 1 . . . . 21 LEU HD2 . 11250 1 245 . 1 1 21 21 LEU HD22 H 1 0.843 0.020 . 1 . . . . 21 LEU HD2 . 11250 1 246 . 1 1 21 21 LEU HD23 H 1 0.843 0.020 . 1 . . . . 21 LEU HD2 . 11250 1 247 . 1 1 21 21 LEU HG H 1 2.165 0.020 . 1 . . . . 21 LEU HG . 11250 1 248 . 1 1 21 21 LEU CA C 13 57.672 0.400 . 1 . . . . 21 LEU CA . 11250 1 249 . 1 1 21 21 LEU CB C 13 41.446 0.400 . 1 . . . . 21 LEU CB . 11250 1 250 . 1 1 21 21 LEU CD1 C 13 26.649 0.400 . 1 . . . . 21 LEU CD1 . 11250 1 251 . 1 1 21 21 LEU CD2 C 13 22.517 0.400 . 1 . . . . 21 LEU CD2 . 11250 1 252 . 1 1 21 21 LEU CG C 13 26.649 0.400 . 1 . . . . 21 LEU CG . 11250 1 253 . 1 1 21 21 LEU N N 15 119.233 0.400 . 1 . . . . 21 LEU N . 11250 1 254 . 1 1 22 22 SER H H 1 7.943 0.020 . 1 . . . . 22 SER HN . 11250 1 255 . 1 1 22 22 SER HA H 1 4.321 0.020 . 1 . . . . 22 SER HA . 11250 1 256 . 1 1 22 22 SER HB2 H 1 3.962 0.020 . 2 . . . . 22 SER HB2 . 11250 1 257 . 1 1 22 22 SER HB3 H 1 3.962 0.020 . 2 . . . . 22 SER HB3 . 11250 1 258 . 1 1 22 22 SER CA C 13 60.932 0.400 . 1 . . . . 22 SER CA . 11250 1 259 . 1 1 22 22 SER CB C 13 63.742 0.400 . 1 . . . . 22 SER CB . 11250 1 260 . 1 1 22 22 SER N N 15 112.553 0.400 . 1 . . . . 22 SER N . 11250 1 261 . 1 1 23 23 SER H H 1 8.058 0.020 . 1 . . . . 23 SER HN . 11250 1 262 . 1 1 23 23 SER HA H 1 4.323 0.020 . 1 . . . . 23 SER HA . 11250 1 263 . 1 1 23 23 SER HB2 H 1 3.841 0.020 . 2 . . . . 23 SER HB2 . 11250 1 264 . 1 1 23 23 SER HB3 H 1 3.961 0.020 . 2 . . . . 23 SER HB3 . 11250 1 265 . 1 1 23 23 SER CA C 13 60.548 0.400 . 1 . . . . 23 SER CA . 11250 1 266 . 1 1 23 23 SER CB C 13 64.229 0.400 . 1 . . . . 23 SER CB . 11250 1 267 . 1 1 23 23 SER N N 15 116.696 0.400 . 1 . . . . 23 SER N . 11250 1 268 . 1 1 24 24 ASN H H 1 7.816 0.020 . 1 . . . . 24 ASN HN . 11250 1 269 . 1 1 24 24 ASN HA H 1 4.598 0.020 . 1 . . . . 24 ASN HA . 11250 1 270 . 1 1 24 24 ASN HB2 H 1 2.370 0.020 . 2 . . . . 24 ASN HB2 . 11250 1 271 . 1 1 24 24 ASN HB3 H 1 2.529 0.020 . 2 . . . . 24 ASN HB3 . 11250 1 272 . 1 1 24 24 ASN HD21 H 1 6.654 0.020 . 2 . . . . 24 ASN HD21 . 11250 1 273 . 1 1 24 24 ASN HD22 H 1 6.500 0.020 . 2 . . . . 24 ASN HD22 . 11250 1 274 . 1 1 24 24 ASN CA C 13 53.791 0.400 . 1 . . . . 24 ASN CA . 11250 1 275 . 1 1 24 24 ASN CB C 13 39.161 0.400 . 1 . . . . 24 ASN CB . 11250 1 276 . 1 1 24 24 ASN N N 15 118.053 0.400 . 1 . . . . 24 ASN N . 11250 1 277 . 1 1 24 24 ASN ND2 N 15 114.200 0.400 . 1 . . . . 24 ASN ND2 . 11250 1 278 . 1 1 25 25 ARG H H 1 7.963 0.020 . 1 . . . . 25 ARG HN . 11250 1 279 . 1 1 25 25 ARG HA H 1 4.098 0.020 . 1 . . . . 25 ARG HA . 11250 1 280 . 1 1 25 25 ARG HD2 H 1 3.133 0.020 . 2 . . . . 25 ARG HD2 . 11250 1 281 . 1 1 25 25 ARG HD3 H 1 3.133 0.020 . 2 . . . . 25 ARG HD3 . 11250 1 282 . 1 1 25 25 ARG CA C 13 56.946 0.400 . 1 . . . . 25 ARG CA . 11250 1 283 . 1 1 25 25 ARG CB C 13 28.550 0.400 . 1 . . . . 25 ARG CB . 11250 1 284 . 1 1 25 25 ARG CD C 13 43.351 0.400 . 1 . . . . 25 ARG CD . 11250 1 285 . 1 1 25 25 ARG CG C 13 27.035 0.400 . 1 . . . . 25 ARG CG . 11250 1 286 . 1 1 25 25 ARG N N 15 119.072 0.400 . 1 . . . . 25 ARG N . 11250 1 287 . 1 1 26 26 CYS H H 1 8.109 0.020 . 1 . . . . 26 CYS HN . 11250 1 288 . 1 1 26 26 CYS HA H 1 4.309 0.020 . 1 . . . . 26 CYS HA . 11250 1 289 . 1 1 26 26 CYS HB2 H 1 2.742 0.020 . 2 . . . . 26 CYS HB2 . 11250 1 290 . 1 1 26 26 CYS HB3 H 1 3.001 0.020 . 2 . . . . 26 CYS HB3 . 11250 1 291 . 1 1 26 26 CYS CA C 13 59.735 0.400 . 1 . . . . 26 CYS CA . 11250 1 292 . 1 1 26 26 CYS CB C 13 28.144 0.400 . 1 . . . . 26 CYS CB . 11250 1 293 . 1 1 26 26 CYS N N 15 117.803 0.400 . 1 . . . . 26 CYS N . 11250 1 294 . 1 1 27 27 GLY H H 1 8.373 0.020 . 1 . . . . 27 GLY HN . 11250 1 295 . 1 1 27 27 GLY HA2 H 1 3.876 0.020 . 1 . . . . 27 GLY HA1 . 11250 1 296 . 1 1 27 27 GLY HA3 H 1 3.983 0.020 . 1 . . . . 27 GLY HA2 . 11250 1 297 . 1 1 27 27 GLY CA C 13 45.173 0.400 . 1 . . . . 27 GLY CA . 11250 1 298 . 1 1 27 27 GLY N N 15 111.321 0.400 . 1 . . . . 27 GLY N . 11250 1 299 . 1 1 28 28 LYS H H 1 8.178 0.020 . 1 . . . . 28 LYS HN . 11250 1 300 . 1 1 28 28 LYS HA H 1 4.059 0.020 . 1 . . . . 28 LYS HA . 11250 1 301 . 1 1 28 28 LYS HB2 H 1 1.548 0.020 . 2 . . . . 28 LYS HB2 . 11250 1 302 . 1 1 28 28 LYS HB3 H 1 1.548 0.020 . 2 . . . . 28 LYS HB3 . 11250 1 303 . 1 1 28 28 LYS HD2 H 1 1.987 0.020 . 2 . . . . 28 LYS HD2 . 11250 1 304 . 1 1 28 28 LYS HD3 H 1 1.987 0.020 . 2 . . . . 28 LYS HD3 . 11250 1 305 . 1 1 28 28 LYS HE2 H 1 2.840 0.020 . 2 . . . . 28 LYS HE2 . 11250 1 306 . 1 1 28 28 LYS HE3 H 1 2.840 0.020 . 2 . . . . 28 LYS HE3 . 11250 1 307 . 1 1 28 28 LYS HG2 H 1 1.127 0.020 . 2 . . . . 28 LYS HG2 . 11250 1 308 . 1 1 28 28 LYS HG3 H 1 1.127 0.020 . 2 . . . . 28 LYS HG3 . 11250 1 309 . 1 1 28 28 LYS CA C 13 57.625 0.400 . 1 . . . . 28 LYS CA . 11250 1 310 . 1 1 28 28 LYS CB C 13 32.778 0.400 . 1 . . . . 28 LYS CB . 11250 1 311 . 1 1 28 28 LYS CD C 13 29.449 0.400 . 1 . . . . 28 LYS CD . 11250 1 312 . 1 1 28 28 LYS CE C 13 42.289 0.400 . 1 . . . . 28 LYS CE . 11250 1 313 . 1 1 28 28 LYS CG C 13 24.718 0.400 . 1 . . . . 28 LYS CG . 11250 1 314 . 1 1 28 28 LYS N N 15 119.688 0.400 . 1 . . . . 28 LYS N . 11250 1 315 . 1 1 29 29 TYR H H 1 7.929 0.020 . 1 . . . . 29 TYR HN . 11250 1 316 . 1 1 29 29 TYR HA H 1 4.695 0.020 . 1 . . . . 29 TYR HA . 11250 1 317 . 1 1 29 29 TYR HB2 H 1 2.869 0.020 . 2 . . . . 29 TYR HB2 . 11250 1 318 . 1 1 29 29 TYR HB3 H 1 2.965 0.020 . 2 . . . . 29 TYR HB3 . 11250 1 319 . 1 1 29 29 TYR HD1 H 1 7.067 0.020 . 1 . . . . 29 TYR HD1 . 11250 1 320 . 1 1 29 29 TYR HD2 H 1 7.067 0.020 . 1 . . . . 29 TYR HD2 . 11250 1 321 . 1 1 29 29 TYR HE1 H 1 6.768 0.020 . 1 . . . . 29 TYR HE1 . 11250 1 322 . 1 1 29 29 TYR HE2 H 1 6.768 0.020 . 1 . . . . 29 TYR HE2 . 11250 1 323 . 1 1 29 29 TYR CA C 13 57.177 0.400 . 1 . . . . 29 TYR CA . 11250 1 324 . 1 1 29 29 TYR CB C 13 38.572 0.400 . 1 . . . . 29 TYR CB . 11250 1 325 . 1 1 29 29 TYR CD1 C 13 133.400 0.400 . 1 . . . . 29 TYR CD1 . 11250 1 326 . 1 1 29 29 TYR CD2 C 13 133.400 0.400 . 1 . . . . 29 TYR CD2 . 11250 1 327 . 1 1 29 29 TYR CE1 C 13 118.100 0.400 . 1 . . . . 29 TYR CE1 . 11250 1 328 . 1 1 29 29 TYR CE2 C 13 118.100 0.400 . 1 . . . . 29 TYR CE2 . 11250 1 329 . 1 1 29 29 TYR N N 15 118.416 0.400 . 1 . . . . 29 TYR N . 11250 1 330 . 1 1 30 30 VAL H H 1 7.645 0.020 . 1 . . . . 30 VAL HN . 11250 1 331 . 1 1 30 30 VAL HA H 1 3.839 0.020 . 1 . . . . 30 VAL HA . 11250 1 332 . 1 1 30 30 VAL HB H 1 1.699 0.020 . 1 . . . . 30 VAL HB . 11250 1 333 . 1 1 30 30 VAL HG11 H 1 0.408 0.020 . 2 . . . . 30 VAL HG1 . 11250 1 334 . 1 1 30 30 VAL HG12 H 1 0.408 0.020 . 2 . . . . 30 VAL HG1 . 11250 1 335 . 1 1 30 30 VAL HG13 H 1 0.408 0.020 . 2 . . . . 30 VAL HG1 . 11250 1 336 . 1 1 30 30 VAL HG21 H 1 0.822 0.020 . 2 . . . . 30 VAL HG2 . 11250 1 337 . 1 1 30 30 VAL HG22 H 1 0.822 0.020 . 2 . . . . 30 VAL HG2 . 11250 1 338 . 1 1 30 30 VAL HG23 H 1 0.822 0.020 . 2 . . . . 30 VAL HG2 . 11250 1 339 . 1 1 30 30 VAL CA C 13 61.821 0.400 . 1 . . . . 30 VAL CA . 11250 1 340 . 1 1 30 30 VAL CB C 13 33.936 0.400 . 1 . . . . 30 VAL CB . 11250 1 341 . 1 1 30 30 VAL CG1 C 13 19.620 0.400 . 1 . . . . 30 VAL CG1 . 11250 1 342 . 1 1 30 30 VAL CG2 C 13 21.744 0.400 . 1 . . . . 30 VAL CG2 . 11250 1 343 . 1 1 30 30 VAL N N 15 124.143 0.400 . 1 . . . . 30 VAL N . 11250 1 344 . 1 1 31 31 ASP H H 1 8.258 0.020 . 1 . . . . 31 ASP HN . 11250 1 345 . 1 1 31 31 ASP HA H 1 4.622 0.020 . 1 . . . . 31 ASP HA . 11250 1 346 . 1 1 31 31 ASP HB2 H 1 2.499 0.020 . 2 . . . . 31 ASP HB2 . 11250 1 347 . 1 1 31 31 ASP HB3 H 1 2.845 0.020 . 2 . . . . 31 ASP HB3 . 11250 1 348 . 1 1 31 31 ASP CA C 13 52.953 0.400 . 1 . . . . 31 ASP CA . 11250 1 349 . 1 1 31 31 ASP CB C 13 41.667 0.400 . 1 . . . . 31 ASP CB . 11250 1 350 . 1 1 31 31 ASP N N 15 126.581 0.400 . 1 . . . . 31 ASP N . 11250 1 351 . 1 1 32 32 THR H H 1 8.613 0.020 . 1 . . . . 32 THR HN . 11250 1 352 . 1 1 32 32 THR HA H 1 3.556 0.020 . 1 . . . . 32 THR HA . 11250 1 353 . 1 1 32 32 THR HB H 1 3.948 0.020 . 1 . . . . 32 THR HB . 11250 1 354 . 1 1 32 32 THR HG21 H 1 0.795 0.020 . 1 . . . . 32 THR HG2 . 11250 1 355 . 1 1 32 32 THR HG22 H 1 0.795 0.020 . 1 . . . . 32 THR HG2 . 11250 1 356 . 1 1 32 32 THR HG23 H 1 0.795 0.020 . 1 . . . . 32 THR HG2 . 11250 1 357 . 1 1 32 32 THR CA C 13 65.436 0.400 . 1 . . . . 32 THR CA . 11250 1 358 . 1 1 32 32 THR CB C 13 68.370 0.400 . 1 . . . . 32 THR CB . 11250 1 359 . 1 1 32 32 THR CG2 C 13 23.289 0.400 . 1 . . . . 32 THR CG2 . 11250 1 360 . 1 1 32 32 THR N N 15 118.602 0.400 . 1 . . . . 32 THR N . 11250 1 361 . 1 1 33 33 GLY H H 1 8.373 0.020 . 1 . . . . 33 GLY HN . 11250 1 362 . 1 1 33 33 GLY HA2 H 1 3.641 0.020 . 1 . . . . 33 GLY HA1 . 11250 1 363 . 1 1 33 33 GLY HA3 H 1 3.838 0.020 . 1 . . . . 33 GLY HA2 . 11250 1 364 . 1 1 33 33 GLY CA C 13 47.142 0.400 . 1 . . . . 33 GLY CA . 11250 1 365 . 1 1 33 33 GLY N N 15 111.321 0.400 . 1 . . . . 33 GLY N . 11250 1 366 . 1 1 34 34 ILE H H 1 7.612 0.020 . 1 . . . . 34 ILE HN . 11250 1 367 . 1 1 34 34 ILE HA H 1 3.711 0.020 . 1 . . . . 34 ILE HA . 11250 1 368 . 1 1 34 34 ILE HB H 1 1.813 0.020 . 1 . . . . 34 ILE HB . 11250 1 369 . 1 1 34 34 ILE HD11 H 1 0.813 0.020 . 1 . . . . 34 ILE HD1 . 11250 1 370 . 1 1 34 34 ILE HD12 H 1 0.813 0.020 . 1 . . . . 34 ILE HD1 . 11250 1 371 . 1 1 34 34 ILE HD13 H 1 0.813 0.020 . 1 . . . . 34 ILE HD1 . 11250 1 372 . 1 1 34 34 ILE HG12 H 1 1.095 0.020 . 2 . . . . 34 ILE HG12 . 11250 1 373 . 1 1 34 34 ILE HG13 H 1 1.482 0.020 . 2 . . . . 34 ILE HG13 . 11250 1 374 . 1 1 34 34 ILE HG21 H 1 0.856 0.020 . 1 . . . . 34 ILE HG2 . 11250 1 375 . 1 1 34 34 ILE HG22 H 1 0.856 0.020 . 1 . . . . 34 ILE HG2 . 11250 1 376 . 1 1 34 34 ILE HG23 H 1 0.856 0.020 . 1 . . . . 34 ILE HG2 . 11250 1 377 . 1 1 34 34 ILE CA C 13 64.268 0.400 . 1 . . . . 34 ILE CA . 11250 1 378 . 1 1 34 34 ILE CB C 13 37.522 0.400 . 1 . . . . 34 ILE CB . 11250 1 379 . 1 1 34 34 ILE CD1 C 13 11.993 0.400 . 1 . . . . 34 ILE CD1 . 11250 1 380 . 1 1 34 34 ILE CG1 C 13 28.580 0.400 . 1 . . . . 34 ILE CG1 . 11250 1 381 . 1 1 34 34 ILE CG2 C 13 16.531 0.400 . 1 . . . . 34 ILE CG2 . 11250 1 382 . 1 1 34 34 ILE N N 15 125.853 0.400 . 1 . . . . 34 ILE N . 11250 1 383 . 1 1 35 35 LEU H H 1 7.802 0.020 . 1 . . . . 35 LEU HN . 11250 1 384 . 1 1 35 35 LEU HA H 1 3.551 0.020 . 1 . . . . 35 LEU HA . 11250 1 385 . 1 1 35 35 LEU HB2 H 1 1.213 0.020 . 2 . . . . 35 LEU HB2 . 11250 1 386 . 1 1 35 35 LEU HB3 H 1 1.445 0.020 . 2 . . . . 35 LEU HB3 . 11250 1 387 . 1 1 35 35 LEU HD11 H 1 0.321 0.020 . 2 . . . . 35 LEU HD1 . 11250 1 388 . 1 1 35 35 LEU HD12 H 1 0.321 0.020 . 2 . . . . 35 LEU HD1 . 11250 1 389 . 1 1 35 35 LEU HD13 H 1 0.321 0.020 . 2 . . . . 35 LEU HD1 . 11250 1 390 . 1 1 35 35 LEU HD21 H 1 0.375 0.020 . 2 . . . . 35 LEU HD2 . 11250 1 391 . 1 1 35 35 LEU HD22 H 1 0.375 0.020 . 2 . . . . 35 LEU HD2 . 11250 1 392 . 1 1 35 35 LEU HD23 H 1 0.375 0.020 . 2 . . . . 35 LEU HD2 . 11250 1 393 . 1 1 35 35 LEU HG H 1 1.028 0.020 . 1 . . . . 35 LEU HG . 11250 1 394 . 1 1 35 35 LEU CA C 13 58.858 0.400 . 1 . . . . 35 LEU CA . 11250 1 395 . 1 1 35 35 LEU CB C 13 42.779 0.400 . 1 . . . . 35 LEU CB . 11250 1 396 . 1 1 35 35 LEU CD1 C 13 24.718 0.400 . 1 . . . . 35 LEU CD1 . 11250 1 397 . 1 1 35 35 LEU CD2 C 13 26.069 0.400 . 1 . . . . 35 LEU CD2 . 11250 1 398 . 1 1 35 35 LEU CG C 13 27.131 0.400 . 1 . . . . 35 LEU CG . 11250 1 399 . 1 1 35 35 LEU N N 15 120.572 0.400 . 1 . . . . 35 LEU N . 11250 1 400 . 1 1 36 36 ALA H H 1 7.949 0.020 . 1 . . . . 36 ALA HN . 11250 1 401 . 1 1 36 36 ALA HA H 1 3.827 0.020 . 1 . . . . 36 ALA HA . 11250 1 402 . 1 1 36 36 ALA HB1 H 1 1.386 0.020 . 1 . . . . 36 ALA HB . 11250 1 403 . 1 1 36 36 ALA HB2 H 1 1.386 0.020 . 1 . . . . 36 ALA HB . 11250 1 404 . 1 1 36 36 ALA HB3 H 1 1.386 0.020 . 1 . . . . 36 ALA HB . 11250 1 405 . 1 1 36 36 ALA CA C 13 55.870 0.400 . 1 . . . . 36 ALA CA . 11250 1 406 . 1 1 36 36 ALA CB C 13 18.050 0.400 . 1 . . . . 36 ALA CB . 11250 1 407 . 1 1 36 36 ALA N N 15 117.780 0.400 . 1 . . . . 36 ALA N . 11250 1 408 . 1 1 37 37 SER H H 1 7.877 0.020 . 1 . . . . 37 SER HN . 11250 1 409 . 1 1 37 37 SER HA H 1 4.194 0.020 . 1 . . . . 37 SER HA . 11250 1 410 . 1 1 37 37 SER HB2 H 1 3.964 0.020 . 2 . . . . 37 SER HB2 . 11250 1 411 . 1 1 37 37 SER HB3 H 1 3.964 0.020 . 2 . . . . 37 SER HB3 . 11250 1 412 . 1 1 37 37 SER CA C 13 62.565 0.400 . 1 . . . . 37 SER CA . 11250 1 413 . 1 1 37 37 SER N N 15 112.691 0.400 . 1 . . . . 37 SER N . 11250 1 414 . 1 1 38 38 ASP H H 1 9.023 0.020 . 1 . . . . 38 ASP HN . 11250 1 415 . 1 1 38 38 ASP HA H 1 4.515 0.020 . 1 . . . . 38 ASP HA . 11250 1 416 . 1 1 38 38 ASP HB2 H 1 2.588 0.020 . 2 . . . . 38 ASP HB2 . 11250 1 417 . 1 1 38 38 ASP HB3 H 1 2.965 0.020 . 2 . . . . 38 ASP HB3 . 11250 1 418 . 1 1 38 38 ASP CA C 13 57.492 0.400 . 1 . . . . 38 ASP CA . 11250 1 419 . 1 1 38 38 ASP CB C 13 40.032 0.400 . 1 . . . . 38 ASP CB . 11250 1 420 . 1 1 38 38 ASP N N 15 123.150 0.400 . 1 . . . . 38 ASP N . 11250 1 421 . 1 1 39 39 LEU H H 1 8.435 0.020 . 1 . . . . 39 LEU HN . 11250 1 422 . 1 1 39 39 LEU HA H 1 4.221 0.020 . 1 . . . . 39 LEU HA . 11250 1 423 . 1 1 39 39 LEU HB2 H 1 1.496 0.020 . 1 . . . . 39 LEU HB2 . 11250 1 424 . 1 1 39 39 LEU HB3 H 1 2.235 0.020 . 1 . . . . 39 LEU HB3 . 11250 1 425 . 1 1 39 39 LEU HD11 H 1 0.646 0.020 . 1 . . . . 39 LEU HD1 . 11250 1 426 . 1 1 39 39 LEU HD12 H 1 0.646 0.020 . 1 . . . . 39 LEU HD1 . 11250 1 427 . 1 1 39 39 LEU HD13 H 1 0.646 0.020 . 1 . . . . 39 LEU HD1 . 11250 1 428 . 1 1 39 39 LEU HD21 H 1 0.895 0.020 . 1 . . . . 39 LEU HD2 . 11250 1 429 . 1 1 39 39 LEU HD22 H 1 0.895 0.020 . 1 . . . . 39 LEU HD2 . 11250 1 430 . 1 1 39 39 LEU HD23 H 1 0.895 0.020 . 1 . . . . 39 LEU HD2 . 11250 1 431 . 1 1 39 39 LEU HG H 1 1.849 0.020 . 1 . . . . 39 LEU HG . 11250 1 432 . 1 1 39 39 LEU CA C 13 58.873 0.400 . 1 . . . . 39 LEU CA . 11250 1 433 . 1 1 39 39 LEU CB C 13 42.227 0.400 . 1 . . . . 39 LEU CB . 11250 1 434 . 1 1 39 39 LEU CD1 C 13 26.359 0.400 . 1 . . . . 39 LEU CD1 . 11250 1 435 . 1 1 39 39 LEU CD2 C 13 23.579 0.400 . 1 . . . . 39 LEU CD2 . 11250 1 436 . 1 1 39 39 LEU CG C 13 27.131 0.400 . 1 . . . . 39 LEU CG . 11250 1 437 . 1 1 39 39 LEU N N 15 119.999 0.400 . 1 . . . . 39 LEU N . 11250 1 438 . 1 1 40 40 GLN H H 1 8.046 0.020 . 1 . . . . 40 GLN HN . 11250 1 439 . 1 1 40 40 GLN HA H 1 3.616 0.020 . 1 . . . . 40 GLN HA . 11250 1 440 . 1 1 40 40 GLN HB2 H 1 1.838 0.020 . 2 . . . . 40 GLN HB2 . 11250 1 441 . 1 1 40 40 GLN HB3 H 1 2.236 0.020 . 2 . . . . 40 GLN HB3 . 11250 1 442 . 1 1 40 40 GLN HE21 H 1 7.110 0.020 . 2 . . . . 40 GLN HE21 . 11250 1 443 . 1 1 40 40 GLN HE22 H 1 5.900 0.020 . 2 . . . . 40 GLN HE22 . 11250 1 444 . 1 1 40 40 GLN HG2 H 1 1.490 0.020 . 2 . . . . 40 GLN HG2 . 11250 1 445 . 1 1 40 40 GLN HG3 H 1 2.369 0.020 . 2 . . . . 40 GLN HG3 . 11250 1 446 . 1 1 40 40 GLN CA C 13 60.928 0.400 . 1 . . . . 40 GLN CA . 11250 1 447 . 1 1 40 40 GLN CB C 13 29.529 0.400 . 1 . . . . 40 GLN CB . 11250 1 448 . 1 1 40 40 GLN CG C 13 37.172 0.400 . 1 . . . . 40 GLN CG . 11250 1 449 . 1 1 40 40 GLN N N 15 117.048 0.400 . 1 . . . . 40 GLN N . 11250 1 450 . 1 1 40 40 GLN NE2 N 15 111.310 0.400 . 1 . . . . 40 GLN NE2 . 11250 1 451 . 1 1 41 41 ARG H H 1 7.306 0.020 . 1 . . . . 41 ARG HN . 11250 1 452 . 1 1 41 41 ARG HA H 1 4.098 0.020 . 1 . . . . 41 ARG HA . 11250 1 453 . 1 1 41 41 ARG HB2 H 1 1.948 0.020 . 2 . . . . 41 ARG HB2 . 11250 1 454 . 1 1 41 41 ARG HB3 H 1 1.948 0.020 . 2 . . . . 41 ARG HB3 . 11250 1 455 . 1 1 41 41 ARG HD2 H 1 3.172 0.020 . 2 . . . . 41 ARG HD2 . 11250 1 456 . 1 1 41 41 ARG HD3 H 1 3.172 0.020 . 2 . . . . 41 ARG HD3 . 11250 1 457 . 1 1 41 41 ARG HG2 H 1 1.497 0.020 . 2 . . . . 41 ARG HG2 . 11250 1 458 . 1 1 41 41 ARG HG3 H 1 1.497 0.020 . 2 . . . . 41 ARG HG3 . 11250 1 459 . 1 1 41 41 ARG CA C 13 58.524 0.400 . 1 . . . . 41 ARG CA . 11250 1 460 . 1 1 41 41 ARG CB C 13 30.559 0.400 . 1 . . . . 41 ARG CB . 11250 1 461 . 1 1 41 41 ARG CD C 13 43.544 0.400 . 1 . . . . 41 ARG CD . 11250 1 462 . 1 1 41 41 ARG CG C 13 27.711 0.400 . 1 . . . . 41 ARG CG . 11250 1 463 . 1 1 41 41 ARG N N 15 117.148 0.400 . 1 . . . . 41 ARG N . 11250 1 464 . 1 1 42 42 LEU H H 1 8.448 0.020 . 1 . . . . 42 LEU HN . 11250 1 465 . 1 1 42 42 LEU HA H 1 3.847 0.020 . 1 . . . . 42 LEU HA . 11250 1 466 . 1 1 42 42 LEU HB2 H 1 1.494 0.020 . 2 . . . . 42 LEU HB2 . 11250 1 467 . 1 1 42 42 LEU HB3 H 1 0.874 0.020 . 2 . . . . 42 LEU HB3 . 11250 1 468 . 1 1 42 42 LEU HD11 H 1 0.762 0.020 . 1 . . . . 42 LEU HD1 . 11250 1 469 . 1 1 42 42 LEU HD12 H 1 0.762 0.020 . 1 . . . . 42 LEU HD1 . 11250 1 470 . 1 1 42 42 LEU HD13 H 1 0.762 0.020 . 1 . . . . 42 LEU HD1 . 11250 1 471 . 1 1 42 42 LEU HD21 H 1 0.857 0.020 . 1 . . . . 42 LEU HD2 . 11250 1 472 . 1 1 42 42 LEU HD22 H 1 0.857 0.020 . 1 . . . . 42 LEU HD2 . 11250 1 473 . 1 1 42 42 LEU HD23 H 1 0.857 0.020 . 1 . . . . 42 LEU HD2 . 11250 1 474 . 1 1 42 42 LEU HG H 1 1.309 0.020 . 1 . . . . 42 LEU HG . 11250 1 475 . 1 1 42 42 LEU CA C 13 57.294 0.400 . 1 . . . . 42 LEU CA . 11250 1 476 . 1 1 42 42 LEU CB C 13 43.752 0.400 . 1 . . . . 42 LEU CB . 11250 1 477 . 1 1 42 42 LEU CD1 C 13 23.579 0.400 . 1 . . . . 42 LEU CD1 . 11250 1 478 . 1 1 42 42 LEU CD2 C 13 23.579 0.400 . 1 . . . . 42 LEU CD2 . 11250 1 479 . 1 1 42 42 LEU CG C 13 26.745 0.400 . 1 . . . . 42 LEU CG . 11250 1 480 . 1 1 42 42 LEU N N 15 120.222 0.400 . 1 . . . . 42 LEU N . 11250 1 481 . 1 1 43 43 TYR H H 1 7.816 0.020 . 1 . . . . 43 TYR HN . 11250 1 482 . 1 1 43 43 TYR HA H 1 4.837 0.020 . 1 . . . . 43 TYR HA . 11250 1 483 . 1 1 43 43 TYR HB2 H 1 2.819 0.020 . 1 . . . . 43 TYR HB2 . 11250 1 484 . 1 1 43 43 TYR HB3 H 1 2.951 0.020 . 1 . . . . 43 TYR HB3 . 11250 1 485 . 1 1 43 43 TYR HD1 H 1 7.219 0.020 . 1 . . . . 43 TYR HD1 . 11250 1 486 . 1 1 43 43 TYR HD2 H 1 7.219 0.020 . 1 . . . . 43 TYR HD2 . 11250 1 487 . 1 1 43 43 TYR HE1 H 1 6.861 0.020 . 1 . . . . 43 TYR HE1 . 11250 1 488 . 1 1 43 43 TYR HE2 H 1 6.861 0.020 . 1 . . . . 43 TYR HE2 . 11250 1 489 . 1 1 43 43 TYR CA C 13 55.429 0.400 . 1 . . . . 43 TYR CA . 11250 1 490 . 1 1 43 43 TYR CB C 13 36.943 0.400 . 1 . . . . 43 TYR CB . 11250 1 491 . 1 1 43 43 TYR CD1 C 13 133.400 0.400 . 1 . . . . 43 TYR CD1 . 11250 1 492 . 1 1 43 43 TYR CD2 C 13 133.400 0.400 . 1 . . . . 43 TYR CD2 . 11250 1 493 . 1 1 43 43 TYR CE1 C 13 117.700 0.400 . 1 . . . . 43 TYR CE1 . 11250 1 494 . 1 1 43 43 TYR CE2 C 13 117.700 0.400 . 1 . . . . 43 TYR CE2 . 11250 1 495 . 1 1 43 43 TYR N N 15 118.619 0.400 . 1 . . . . 43 TYR N . 11250 1 496 . 1 1 44 44 SER H H 1 7.253 0.020 . 1 . . . . 44 SER HN . 11250 1 497 . 1 1 44 44 SER HA H 1 4.045 0.020 . 1 . . . . 44 SER HA . 11250 1 498 . 1 1 44 44 SER HB2 H 1 3.914 0.020 . 2 . . . . 44 SER HB2 . 11250 1 499 . 1 1 44 44 SER HB3 H 1 3.914 0.020 . 2 . . . . 44 SER HB3 . 11250 1 500 . 1 1 44 44 SER CA C 13 61.959 0.400 . 1 . . . . 44 SER CA . 11250 1 501 . 1 1 44 44 SER CB C 13 63.251 0.400 . 1 . . . . 44 SER CB . 11250 1 502 . 1 1 44 44 SER N N 15 117.285 0.400 . 1 . . . . 44 SER N . 11250 1 503 . 1 1 45 45 VAL H H 1 8.140 0.020 . 1 . . . . 45 VAL HN . 11250 1 504 . 1 1 45 45 VAL HA H 1 3.669 0.020 . 1 . . . . 45 VAL HA . 11250 1 505 . 1 1 45 45 VAL HB H 1 1.979 0.020 . 1 . . . . 45 VAL HB . 11250 1 506 . 1 1 45 45 VAL HG11 H 1 0.817 0.020 . 2 . . . . 45 VAL HG1 . 11250 1 507 . 1 1 45 45 VAL HG12 H 1 0.817 0.020 . 2 . . . . 45 VAL HG1 . 11250 1 508 . 1 1 45 45 VAL HG13 H 1 0.817 0.020 . 2 . . . . 45 VAL HG1 . 11250 1 509 . 1 1 45 45 VAL HG21 H 1 0.935 0.020 . 2 . . . . 45 VAL HG2 . 11250 1 510 . 1 1 45 45 VAL HG22 H 1 0.935 0.020 . 2 . . . . 45 VAL HG2 . 11250 1 511 . 1 1 45 45 VAL HG23 H 1 0.935 0.020 . 2 . . . . 45 VAL HG2 . 11250 1 512 . 1 1 45 45 VAL CA C 13 66.384 0.400 . 1 . . . . 45 VAL CA . 11250 1 513 . 1 1 45 45 VAL CB C 13 31.154 0.400 . 1 . . . . 45 VAL CB . 11250 1 514 . 1 1 45 45 VAL CG1 C 13 19.910 0.400 . 1 . . . . 45 VAL CG1 . 11250 1 515 . 1 1 45 45 VAL CG2 C 13 22.227 0.400 . 1 . . . . 45 VAL CG2 . 11250 1 516 . 1 1 45 45 VAL N N 15 122.717 0.400 . 1 . . . . 45 VAL N . 11250 1 517 . 1 1 46 46 ASP H H 1 7.433 0.020 . 1 . . . . 46 ASP HN . 11250 1 518 . 1 1 46 46 ASP HA H 1 4.416 0.020 . 1 . . . . 46 ASP HA . 11250 1 519 . 1 1 46 46 ASP HB2 H 1 2.631 0.020 . 2 . . . . 46 ASP HB2 . 11250 1 520 . 1 1 46 46 ASP HB3 H 1 2.675 0.020 . 2 . . . . 46 ASP HB3 . 11250 1 521 . 1 1 46 46 ASP CA C 13 56.513 0.400 . 1 . . . . 46 ASP CA . 11250 1 522 . 1 1 46 46 ASP CB C 13 40.502 0.400 . 1 . . . . 46 ASP CB . 11250 1 523 . 1 1 46 46 ASP N N 15 117.776 0.400 . 1 . . . . 46 ASP N . 11250 1 524 . 1 1 47 47 TYR H H 1 7.988 0.020 . 1 . . . . 47 TYR HN . 11250 1 525 . 1 1 47 47 TYR HA H 1 4.806 0.020 . 1 . . . . 47 TYR HA . 11250 1 526 . 1 1 47 47 TYR HB2 H 1 2.229 0.020 . 2 . . . . 47 TYR HB2 . 11250 1 527 . 1 1 47 47 TYR HB3 H 1 2.229 0.020 . 2 . . . . 47 TYR HB3 . 11250 1 528 . 1 1 47 47 TYR HD1 H 1 6.780 0.020 . 1 . . . . 47 TYR HD1 . 11250 1 529 . 1 1 47 47 TYR HD2 H 1 6.780 0.020 . 1 . . . . 47 TYR HD2 . 11250 1 530 . 1 1 47 47 TYR HE1 H 1 6.627 0.020 . 1 . . . . 47 TYR HE1 . 11250 1 531 . 1 1 47 47 TYR HE2 H 1 6.627 0.020 . 1 . . . . 47 TYR HE2 . 11250 1 532 . 1 1 47 47 TYR CA C 13 54.863 0.400 . 1 . . . . 47 TYR CA . 11250 1 533 . 1 1 47 47 TYR CB C 13 40.879 0.400 . 1 . . . . 47 TYR CB . 11250 1 534 . 1 1 47 47 TYR CD1 C 13 133.000 0.400 . 1 . . . . 47 TYR CD1 . 11250 1 535 . 1 1 47 47 TYR CD2 C 13 133.000 0.400 . 1 . . . . 47 TYR CD2 . 11250 1 536 . 1 1 47 47 TYR CE1 C 13 117.000 0.400 . 1 . . . . 47 TYR CE1 . 11250 1 537 . 1 1 47 47 TYR CE2 C 13 117.000 0.400 . 1 . . . . 47 TYR CE2 . 11250 1 538 . 1 1 47 47 TYR N N 15 114.620 0.400 . 1 . . . . 47 TYR N . 11250 1 539 . 1 1 48 48 GLY H H 1 8.692 0.020 . 1 . . . . 48 GLY HN . 11250 1 540 . 1 1 48 48 GLY HA2 H 1 3.693 0.020 . 2 . . . . 48 GLY HA1 . 11250 1 541 . 1 1 48 48 GLY HA3 H 1 4.155 0.020 . 2 . . . . 48 GLY HA2 . 11250 1 542 . 1 1 48 48 GLY CA C 13 47.979 0.400 . 1 . . . . 48 GLY CA . 11250 1 543 . 1 1 48 48 GLY N N 15 110.724 0.400 . 1 . . . . 48 GLY N . 11250 1 544 . 1 1 49 49 ARG H H 1 8.336 0.020 . 1 . . . . 49 ARG HN . 11250 1 545 . 1 1 49 49 ARG HA H 1 4.330 0.020 . 1 . . . . 49 ARG HA . 11250 1 546 . 1 1 49 49 ARG HB2 H 1 1.947 0.020 . 2 . . . . 49 ARG HB2 . 11250 1 547 . 1 1 49 49 ARG HB3 H 1 1.947 0.020 . 2 . . . . 49 ARG HB3 . 11250 1 548 . 1 1 49 49 ARG HD2 H 1 3.148 0.020 . 2 . . . . 49 ARG HD2 . 11250 1 549 . 1 1 49 49 ARG HD3 H 1 3.148 0.020 . 2 . . . . 49 ARG HD3 . 11250 1 550 . 1 1 49 49 ARG HG2 H 1 1.625 0.020 . 2 . . . . 49 ARG HG2 . 11250 1 551 . 1 1 49 49 ARG HG3 H 1 1.625 0.020 . 2 . . . . 49 ARG HG3 . 11250 1 552 . 1 1 49 49 ARG CA C 13 55.569 0.400 . 1 . . . . 49 ARG CA . 11250 1 553 . 1 1 49 49 ARG CB C 13 29.709 0.400 . 1 . . . . 49 ARG CB . 11250 1 554 . 1 1 49 49 ARG CD C 13 43.255 0.400 . 1 . . . . 49 ARG CD . 11250 1 555 . 1 1 49 49 ARG CG C 13 27.035 0.400 . 1 . . . . 49 ARG CG . 11250 1 556 . 1 1 49 49 ARG N N 15 116.170 0.400 . 1 . . . . 49 ARG N . 11250 1 557 . 1 1 50 50 ARG H H 1 7.058 0.020 . 1 . . . . 50 ARG HN . 11250 1 558 . 1 1 50 50 ARG HA H 1 4.213 0.020 . 1 . . . . 50 ARG HA . 11250 1 559 . 1 1 50 50 ARG HB2 H 1 1.725 0.020 . 2 . . . . 50 ARG HB2 . 11250 1 560 . 1 1 50 50 ARG HB3 H 1 1.725 0.020 . 2 . . . . 50 ARG HB3 . 11250 1 561 . 1 1 50 50 ARG HD2 H 1 3.056 0.020 . 2 . . . . 50 ARG HD2 . 11250 1 562 . 1 1 50 50 ARG HD3 H 1 3.458 0.020 . 2 . . . . 50 ARG HD3 . 11250 1 563 . 1 1 50 50 ARG HG2 H 1 1.515 0.020 . 2 . . . . 50 ARG HG2 . 11250 1 564 . 1 1 50 50 ARG HG3 H 1 1.515 0.020 . 2 . . . . 50 ARG HG3 . 11250 1 565 . 1 1 50 50 ARG CA C 13 55.745 0.400 . 1 . . . . 50 ARG CA . 11250 1 566 . 1 1 50 50 ARG CB C 13 30.195 0.400 . 1 . . . . 50 ARG CB . 11250 1 567 . 1 1 50 50 ARG CD C 13 44.027 0.400 . 1 . . . . 50 ARG CD . 11250 1 568 . 1 1 50 50 ARG CG C 13 27.421 0.400 . 1 . . . . 50 ARG CG . 11250 1 569 . 1 1 50 50 ARG N N 15 119.337 0.400 . 1 . . . . 50 ARG N . 11250 1 570 . 1 1 51 51 LYS H H 1 8.827 0.020 . 1 . . . . 51 LYS HN . 11250 1 571 . 1 1 51 51 LYS HA H 1 4.141 0.020 . 1 . . . . 51 LYS HA . 11250 1 572 . 1 1 51 51 LYS HB2 H 1 1.749 0.020 . 2 . . . . 51 LYS HB2 . 11250 1 573 . 1 1 51 51 LYS HB3 H 1 1.659 0.020 . 2 . . . . 51 LYS HB3 . 11250 1 574 . 1 1 51 51 LYS HD2 H 1 1.559 0.020 . 2 . . . . 51 LYS HD2 . 11250 1 575 . 1 1 51 51 LYS HD3 H 1 1.559 0.020 . 2 . . . . 51 LYS HD3 . 11250 1 576 . 1 1 51 51 LYS HE2 H 1 3.034 0.020 . 2 . . . . 51 LYS HE2 . 11250 1 577 . 1 1 51 51 LYS HE3 H 1 3.034 0.020 . 2 . . . . 51 LYS HE3 . 11250 1 578 . 1 1 51 51 LYS HG2 H 1 1.379 0.020 . 2 . . . . 51 LYS HG2 . 11250 1 579 . 1 1 51 51 LYS HG3 H 1 1.379 0.020 . 2 . . . . 51 LYS HG3 . 11250 1 580 . 1 1 51 51 LYS CA C 13 56.934 0.400 . 1 . . . . 51 LYS CA . 11250 1 581 . 1 1 51 51 LYS CB C 13 32.286 0.400 . 1 . . . . 51 LYS CB . 11250 1 582 . 1 1 51 51 LYS CD C 13 29.159 0.400 . 1 . . . . 51 LYS CD . 11250 1 583 . 1 1 51 51 LYS CE C 13 43.834 0.400 . 1 . . . . 51 LYS CE . 11250 1 584 . 1 1 51 51 LYS CG C 13 24.911 0.400 . 1 . . . . 51 LYS CG . 11250 1 585 . 1 1 51 51 LYS N N 15 124.117 0.400 . 1 . . . . 51 LYS N . 11250 1 586 . 1 1 52 52 ARG H H 1 8.799 0.020 . 1 . . . . 52 ARG HN . 11250 1 587 . 1 1 52 52 ARG HA H 1 3.963 0.020 . 1 . . . . 52 ARG HA . 11250 1 588 . 1 1 52 52 ARG HB2 H 1 1.788 0.020 . 2 . . . . 52 ARG HB2 . 11250 1 589 . 1 1 52 52 ARG HB3 H 1 1.965 0.020 . 2 . . . . 52 ARG HB3 . 11250 1 590 . 1 1 52 52 ARG CA C 13 61.143 0.400 . 1 . . . . 52 ARG CA . 11250 1 591 . 1 1 52 52 ARG CB C 13 30.305 0.400 . 1 . . . . 52 ARG CB . 11250 1 592 . 1 1 52 52 ARG N N 15 124.202 0.400 . 1 . . . . 52 ARG N . 11250 1 593 . 1 1 53 53 ASN HA H 1 4.391 0.020 . 1 . . . . 53 ASN HA . 11250 1 594 . 1 1 53 53 ASN HB2 H 1 2.786 0.020 . 2 . . . . 53 ASN HB2 . 11250 1 595 . 1 1 53 53 ASN HB3 H 1 2.786 0.020 . 2 . . . . 53 ASN HB3 . 11250 1 596 . 1 1 53 53 ASN HD21 H 1 7.710 0.020 . 2 . . . . 53 ASN HD21 . 11250 1 597 . 1 1 53 53 ASN HD22 H 1 6.930 0.020 . 2 . . . . 53 ASN HD22 . 11250 1 598 . 1 1 53 53 ASN CA C 13 56.347 0.400 . 1 . . . . 53 ASN CA . 11250 1 599 . 1 1 53 53 ASN CB C 13 37.354 0.400 . 1 . . . . 53 ASN CB . 11250 1 600 . 1 1 53 53 ASN ND2 N 15 113.500 0.400 . 1 . . . . 53 ASN ND2 . 11250 1 601 . 1 1 54 54 ALA H H 1 7.012 0.020 . 1 . . . . 54 ALA HN . 11250 1 602 . 1 1 54 54 ALA HA H 1 4.057 0.020 . 1 . . . . 54 ALA HA . 11250 1 603 . 1 1 54 54 ALA HB1 H 1 1.474 0.020 . 1 . . . . 54 ALA HB . 11250 1 604 . 1 1 54 54 ALA HB2 H 1 1.474 0.020 . 1 . . . . 54 ALA HB . 11250 1 605 . 1 1 54 54 ALA HB3 H 1 1.474 0.020 . 1 . . . . 54 ALA HB . 11250 1 606 . 1 1 54 54 ALA CA C 13 54.922 0.400 . 1 . . . . 54 ALA CA . 11250 1 607 . 1 1 54 54 ALA CB C 13 18.450 0.400 . 1 . . . . 54 ALA CB . 11250 1 608 . 1 1 54 54 ALA N N 15 122.590 0.400 . 1 . . . . 54 ALA N . 11250 1 609 . 1 1 55 55 PHE H H 1 8.643 0.020 . 1 . . . . 55 PHE HN . 11250 1 610 . 1 1 55 55 PHE HA H 1 4.492 0.020 . 1 . . . . 55 PHE HA . 11250 1 611 . 1 1 55 55 PHE HB2 H 1 2.679 0.020 . 2 . . . . 55 PHE HB2 . 11250 1 612 . 1 1 55 55 PHE HB3 H 1 2.900 0.020 . 2 . . . . 55 PHE HB3 . 11250 1 613 . 1 1 55 55 PHE HD1 H 1 7.088 0.020 . 1 . . . . 55 PHE HD1 . 11250 1 614 . 1 1 55 55 PHE HD2 H 1 7.088 0.020 . 1 . . . . 55 PHE HD2 . 11250 1 615 . 1 1 55 55 PHE HE1 H 1 6.754 0.020 . 1 . . . . 55 PHE HE1 . 11250 1 616 . 1 1 55 55 PHE HE2 H 1 6.754 0.020 . 1 . . . . 55 PHE HE2 . 11250 1 617 . 1 1 55 55 PHE CA C 13 60.864 0.400 . 1 . . . . 55 PHE CA . 11250 1 618 . 1 1 55 55 PHE CB C 13 38.953 0.400 . 1 . . . . 55 PHE CB . 11250 1 619 . 1 1 55 55 PHE CD1 C 13 130.900 0.400 . 1 . . . . 55 PHE CD1 . 11250 1 620 . 1 1 55 55 PHE CD2 C 13 130.900 0.400 . 1 . . . . 55 PHE CD2 . 11250 1 621 . 1 1 55 55 PHE CE1 C 13 131.300 0.400 . 1 . . . . 55 PHE CE1 . 11250 1 622 . 1 1 55 55 PHE CE2 C 13 131.300 0.400 . 1 . . . . 55 PHE CE2 . 11250 1 623 . 1 1 55 55 PHE N N 15 119.243 0.400 . 1 . . . . 55 PHE N . 11250 1 624 . 1 1 56 56 ARG H H 1 7.982 0.020 . 1 . . . . 56 ARG HN . 11250 1 625 . 1 1 56 56 ARG HA H 1 3.430 0.020 . 1 . . . . 56 ARG HA . 11250 1 626 . 1 1 56 56 ARG HB2 H 1 1.781 0.020 . 1 . . . . 56 ARG HB2 . 11250 1 627 . 1 1 56 56 ARG HB3 H 1 1.908 0.020 . 1 . . . . 56 ARG HB3 . 11250 1 628 . 1 1 56 56 ARG HD2 H 1 3.060 0.020 . 2 . . . . 56 ARG HD2 . 11250 1 629 . 1 1 56 56 ARG HD3 H 1 3.060 0.020 . 2 . . . . 56 ARG HD3 . 11250 1 630 . 1 1 56 56 ARG HG2 H 1 1.372 0.020 . 2 . . . . 56 ARG HG2 . 11250 1 631 . 1 1 56 56 ARG HG3 H 1 1.372 0.020 . 2 . . . . 56 ARG HG3 . 11250 1 632 . 1 1 56 56 ARG CA C 13 60.513 0.400 . 1 . . . . 56 ARG CA . 11250 1 633 . 1 1 56 56 ARG CB C 13 28.835 0.400 . 1 . . . . 56 ARG CB . 11250 1 634 . 1 1 56 56 ARG CD C 13 43.448 0.400 . 1 . . . . 56 ARG CD . 11250 1 635 . 1 1 56 56 ARG CG C 13 26.842 0.400 . 1 . . . . 56 ARG CG . 11250 1 636 . 1 1 56 56 ARG N N 15 119.014 0.400 . 1 . . . . 56 ARG N . 11250 1 637 . 1 1 57 57 ILE H H 1 7.462 0.020 . 1 . . . . 57 ILE HN . 11250 1 638 . 1 1 57 57 ILE HA H 1 3.662 0.020 . 1 . . . . 57 ILE HA . 11250 1 639 . 1 1 57 57 ILE HB H 1 1.858 0.020 . 1 . . . . 57 ILE HB . 11250 1 640 . 1 1 57 57 ILE HD11 H 1 0.771 0.020 . 1 . . . . 57 ILE HD1 . 11250 1 641 . 1 1 57 57 ILE HD12 H 1 0.771 0.020 . 1 . . . . 57 ILE HD1 . 11250 1 642 . 1 1 57 57 ILE HD13 H 1 0.771 0.020 . 1 . . . . 57 ILE HD1 . 11250 1 643 . 1 1 57 57 ILE HG12 H 1 1.155 0.020 . 1 . . . . 57 ILE HG12 . 11250 1 644 . 1 1 57 57 ILE HG13 H 1 1.597 0.020 . 1 . . . . 57 ILE HG13 . 11250 1 645 . 1 1 57 57 ILE HG21 H 1 0.867 0.020 . 1 . . . . 57 ILE HG2 . 11250 1 646 . 1 1 57 57 ILE HG22 H 1 0.867 0.020 . 1 . . . . 57 ILE HG2 . 11250 1 647 . 1 1 57 57 ILE HG23 H 1 0.867 0.020 . 1 . . . . 57 ILE HG2 . 11250 1 648 . 1 1 57 57 ILE CA C 13 65.355 0.400 . 1 . . . . 57 ILE CA . 11250 1 649 . 1 1 57 57 ILE CB C 13 37.857 0.400 . 1 . . . . 57 ILE CB . 11250 1 650 . 1 1 57 57 ILE CD1 C 13 12.862 0.400 . 1 . . . . 57 ILE CD1 . 11250 1 651 . 1 1 57 57 ILE CG1 C 13 29.545 0.400 . 1 . . . . 57 ILE CG1 . 11250 1 652 . 1 1 57 57 ILE CG2 C 13 17.110 0.400 . 1 . . . . 57 ILE CG2 . 11250 1 653 . 1 1 57 57 ILE N N 15 118.177 0.400 . 1 . . . . 57 ILE N . 11250 1 654 . 1 1 58 58 GLN H H 1 7.333 0.020 . 1 . . . . 58 GLN HN . 11250 1 655 . 1 1 58 58 GLN HA H 1 3.840 0.020 . 1 . . . . 58 GLN HA . 11250 1 656 . 1 1 58 58 GLN HB2 H 1 2.198 0.020 . 2 . . . . 58 GLN HB2 . 11250 1 657 . 1 1 58 58 GLN HB3 H 1 2.198 0.020 . 2 . . . . 58 GLN HB3 . 11250 1 658 . 1 1 58 58 GLN HE21 H 1 7.377 0.020 . 2 . . . . 58 GLN HE21 . 11250 1 659 . 1 1 58 58 GLN HE22 H 1 6.800 0.020 . 2 . . . . 58 GLN HE22 . 11250 1 660 . 1 1 58 58 GLN HG2 H 1 2.456 0.020 . 2 . . . . 58 GLN HG2 . 11250 1 661 . 1 1 58 58 GLN HG3 H 1 2.456 0.020 . 2 . . . . 58 GLN HG3 . 11250 1 662 . 1 1 58 58 GLN CA C 13 59.775 0.400 . 1 . . . . 58 GLN CA . 11250 1 663 . 1 1 58 58 GLN CB C 13 27.899 0.400 . 1 . . . . 58 GLN CB . 11250 1 664 . 1 1 58 58 GLN CG C 13 34.372 0.400 . 1 . . . . 58 GLN CG . 11250 1 665 . 1 1 58 58 GLN N N 15 120.026 0.400 . 1 . . . . 58 GLN N . 11250 1 666 . 1 1 58 58 GLN NE2 N 15 110.600 0.400 . 1 . . . . 58 GLN NE2 . 11250 1 667 . 1 1 59 59 VAL H H 1 8.087 0.020 . 1 . . . . 59 VAL HN . 11250 1 668 . 1 1 59 59 VAL HA H 1 3.052 0.020 . 1 . . . . 59 VAL HA . 11250 1 669 . 1 1 59 59 VAL HB H 1 1.776 0.020 . 1 . . . . 59 VAL HB . 11250 1 670 . 1 1 59 59 VAL HG11 H 1 0.495 0.020 . 2 . . . . 59 VAL HG1 . 11250 1 671 . 1 1 59 59 VAL HG12 H 1 0.495 0.020 . 2 . . . . 59 VAL HG1 . 11250 1 672 . 1 1 59 59 VAL HG13 H 1 0.495 0.020 . 2 . . . . 59 VAL HG1 . 11250 1 673 . 1 1 59 59 VAL HG21 H 1 -0.061 0.020 . 2 . . . . 59 VAL HG2 . 11250 1 674 . 1 1 59 59 VAL HG22 H 1 -0.061 0.020 . 2 . . . . 59 VAL HG2 . 11250 1 675 . 1 1 59 59 VAL HG23 H 1 -0.061 0.020 . 2 . . . . 59 VAL HG2 . 11250 1 676 . 1 1 59 59 VAL CA C 13 66.964 0.400 . 1 . . . . 59 VAL CA . 11250 1 677 . 1 1 59 59 VAL CB C 13 31.113 0.400 . 1 . . . . 59 VAL CB . 11250 1 678 . 1 1 59 59 VAL CG1 C 13 21.455 0.400 . 1 . . . . 59 VAL CG1 . 11250 1 679 . 1 1 59 59 VAL CG2 C 13 24.621 0.400 . 1 . . . . 59 VAL CG2 . 11250 1 680 . 1 1 59 59 VAL N N 15 120.168 0.400 . 1 . . . . 59 VAL N . 11250 1 681 . 1 1 60 60 GLU H H 1 8.792 0.020 . 1 . . . . 60 GLU HN . 11250 1 682 . 1 1 60 60 GLU HA H 1 3.761 0.020 . 1 . . . . 60 GLU HA . 11250 1 683 . 1 1 60 60 GLU HB2 H 1 1.975 0.020 . 1 . . . . 60 GLU HB2 . 11250 1 684 . 1 1 60 60 GLU HB3 H 1 2.171 0.020 . 1 . . . . 60 GLU HB3 . 11250 1 685 . 1 1 60 60 GLU HG2 H 1 2.173 0.020 . 2 . . . . 60 GLU HG2 . 11250 1 686 . 1 1 60 60 GLU HG3 H 1 2.403 0.020 . 2 . . . . 60 GLU HG3 . 11250 1 687 . 1 1 60 60 GLU CA C 13 60.813 0.400 . 1 . . . . 60 GLU CA . 11250 1 688 . 1 1 60 60 GLU CB C 13 28.913 0.400 . 1 . . . . 60 GLU CB . 11250 1 689 . 1 1 60 60 GLU CG C 13 37.848 0.400 . 1 . . . . 60 GLU CG . 11250 1 690 . 1 1 60 60 GLU N N 15 120.795 0.400 . 1 . . . . 60 GLU N . 11250 1 691 . 1 1 61 61 LYS H H 1 7.998 0.020 . 1 . . . . 61 LYS HN . 11250 1 692 . 1 1 61 61 LYS HA H 1 4.107 0.020 . 1 . . . . 61 LYS HA . 11250 1 693 . 1 1 61 61 LYS HB2 H 1 1.915 0.020 . 2 . . . . 61 LYS HB2 . 11250 1 694 . 1 1 61 61 LYS HB3 H 1 1.915 0.020 . 2 . . . . 61 LYS HB3 . 11250 1 695 . 1 1 61 61 LYS HD2 H 1 1.624 0.020 . 2 . . . . 61 LYS HD2 . 11250 1 696 . 1 1 61 61 LYS HD3 H 1 1.624 0.020 . 2 . . . . 61 LYS HD3 . 11250 1 697 . 1 1 61 61 LYS HE2 H 1 2.844 0.020 . 2 . . . . 61 LYS HE2 . 11250 1 698 . 1 1 61 61 LYS HE3 H 1 2.844 0.020 . 2 . . . . 61 LYS HE3 . 11250 1 699 . 1 1 61 61 LYS HG2 H 1 1.494 0.020 . 2 . . . . 61 LYS HG2 . 11250 1 700 . 1 1 61 61 LYS HG3 H 1 1.494 0.020 . 2 . . . . 61 LYS HG3 . 11250 1 701 . 1 1 61 61 LYS CA C 13 59.706 0.400 . 1 . . . . 61 LYS CA . 11250 1 702 . 1 1 61 61 LYS CB C 13 31.803 0.400 . 1 . . . . 61 LYS CB . 11250 1 703 . 1 1 61 61 LYS CD C 13 29.352 0.400 . 1 . . . . 61 LYS CD . 11250 1 704 . 1 1 61 61 LYS CE C 13 42.193 0.400 . 1 . . . . 61 LYS CE . 11250 1 705 . 1 1 61 61 LYS CG C 13 24.911 0.400 . 1 . . . . 61 LYS CG . 11250 1 706 . 1 1 61 61 LYS N N 15 120.417 0.400 . 1 . . . . 61 LYS N . 11250 1 707 . 1 1 62 62 VAL H H 1 7.645 0.020 . 1 . . . . 62 VAL HN . 11250 1 708 . 1 1 62 62 VAL HA H 1 3.675 0.020 . 1 . . . . 62 VAL HA . 11250 1 709 . 1 1 62 62 VAL HB H 1 2.065 0.020 . 1 . . . . 62 VAL HB . 11250 1 710 . 1 1 62 62 VAL HG11 H 1 0.973 0.020 . 1 . . . . 62 VAL HG1 . 11250 1 711 . 1 1 62 62 VAL HG12 H 1 0.973 0.020 . 1 . . . . 62 VAL HG1 . 11250 1 712 . 1 1 62 62 VAL HG13 H 1 0.973 0.020 . 1 . . . . 62 VAL HG1 . 11250 1 713 . 1 1 62 62 VAL HG21 H 1 0.855 0.020 . 1 . . . . 62 VAL HG2 . 11250 1 714 . 1 1 62 62 VAL HG22 H 1 0.855 0.020 . 1 . . . . 62 VAL HG2 . 11250 1 715 . 1 1 62 62 VAL HG23 H 1 0.855 0.020 . 1 . . . . 62 VAL HG2 . 11250 1 716 . 1 1 62 62 VAL CA C 13 66.548 0.400 . 1 . . . . 62 VAL CA . 11250 1 717 . 1 1 62 62 VAL CB C 13 31.377 0.400 . 1 . . . . 62 VAL CB . 11250 1 718 . 1 1 62 62 VAL CG1 C 13 22.806 0.400 . 1 . . . . 62 VAL CG1 . 11250 1 719 . 1 1 62 62 VAL CG2 C 13 22.806 0.400 . 1 . . . . 62 VAL CG2 . 11250 1 720 . 1 1 62 62 VAL N N 15 118.067 0.400 . 1 . . . . 62 VAL N . 11250 1 721 . 1 1 63 63 PHE H H 1 9.140 0.020 . 1 . . . . 63 PHE HN . 11250 1 722 . 1 1 63 63 PHE HA H 1 4.060 0.020 . 1 . . . . 63 PHE HA . 11250 1 723 . 1 1 63 63 PHE HB2 H 1 2.894 0.020 . 1 . . . . 63 PHE HB2 . 11250 1 724 . 1 1 63 63 PHE HB3 H 1 3.075 0.020 . 1 . . . . 63 PHE HB3 . 11250 1 725 . 1 1 63 63 PHE HD1 H 1 6.964 0.020 . 1 . . . . 63 PHE HD1 . 11250 1 726 . 1 1 63 63 PHE HD2 H 1 6.964 0.020 . 1 . . . . 63 PHE HD2 . 11250 1 727 . 1 1 63 63 PHE HE1 H 1 7.205 0.020 . 1 . . . . 63 PHE HE1 . 11250 1 728 . 1 1 63 63 PHE HE2 H 1 7.205 0.020 . 1 . . . . 63 PHE HE2 . 11250 1 729 . 1 1 63 63 PHE CA C 13 61.969 0.400 . 1 . . . . 63 PHE CA . 11250 1 730 . 1 1 63 63 PHE CB C 13 39.313 0.400 . 1 . . . . 63 PHE CB . 11250 1 731 . 1 1 63 63 PHE CD1 C 13 131.000 0.400 . 1 . . . . 63 PHE CD1 . 11250 1 732 . 1 1 63 63 PHE CD2 C 13 131.000 0.400 . 1 . . . . 63 PHE CD2 . 11250 1 733 . 1 1 63 63 PHE CE1 C 13 131.000 0.400 . 1 . . . . 63 PHE CE1 . 11250 1 734 . 1 1 63 63 PHE CE2 C 13 131.000 0.400 . 1 . . . . 63 PHE CE2 . 11250 1 735 . 1 1 63 63 PHE N N 15 121.548 0.400 . 1 . . . . 63 PHE N . 11250 1 736 . 1 1 64 64 SER H H 1 8.260 0.020 . 1 . . . . 64 SER HN . 11250 1 737 . 1 1 64 64 SER HA H 1 4.010 0.020 . 1 . . . . 64 SER HA . 11250 1 738 . 1 1 64 64 SER HB2 H 1 3.760 0.020 . 2 . . . . 64 SER HB2 . 11250 1 739 . 1 1 64 64 SER HB3 H 1 3.760 0.020 . 2 . . . . 64 SER HB3 . 11250 1 740 . 1 1 64 64 SER CA C 13 62.177 0.400 . 1 . . . . 64 SER CA . 11250 1 741 . 1 1 64 64 SER CB C 13 63.233 0.400 . 1 . . . . 64 SER CB . 11250 1 742 . 1 1 64 64 SER N N 15 115.900 0.400 . 1 . . . . 64 SER N . 11250 1 743 . 1 1 65 65 ILE H H 1 7.444 0.020 . 1 . . . . 65 ILE HN . 11250 1 744 . 1 1 65 65 ILE HA H 1 3.759 0.020 . 1 . . . . 65 ILE HA . 11250 1 745 . 1 1 65 65 ILE HB H 1 1.950 0.020 . 1 . . . . 65 ILE HB . 11250 1 746 . 1 1 65 65 ILE HD11 H 1 0.748 0.020 . 1 . . . . 65 ILE HD1 . 11250 1 747 . 1 1 65 65 ILE HD12 H 1 0.748 0.020 . 1 . . . . 65 ILE HD1 . 11250 1 748 . 1 1 65 65 ILE HD13 H 1 0.748 0.020 . 1 . . . . 65 ILE HD1 . 11250 1 749 . 1 1 65 65 ILE HG12 H 1 1.691 0.020 . 2 . . . . 65 ILE HG12 . 11250 1 750 . 1 1 65 65 ILE HG13 H 1 1.691 0.020 . 2 . . . . 65 ILE HG13 . 11250 1 751 . 1 1 65 65 ILE HG21 H 1 0.797 0.020 . 1 . . . . 65 ILE HG2 . 11250 1 752 . 1 1 65 65 ILE HG22 H 1 0.797 0.020 . 1 . . . . 65 ILE HG2 . 11250 1 753 . 1 1 65 65 ILE HG23 H 1 0.797 0.020 . 1 . . . . 65 ILE HG2 . 11250 1 754 . 1 1 65 65 ILE CA C 13 64.771 0.400 . 1 . . . . 65 ILE CA . 11250 1 755 . 1 1 65 65 ILE CB C 13 38.058 0.400 . 1 . . . . 65 ILE CB . 11250 1 756 . 1 1 65 65 ILE CD1 C 13 13.345 0.400 . 1 . . . . 65 ILE CD1 . 11250 1 757 . 1 1 65 65 ILE CG1 C 13 33.635 0.400 . 1 . . . . 65 ILE CG1 . 11250 1 758 . 1 1 65 65 ILE CG2 C 13 16.851 0.400 . 1 . . . . 65 ILE CG2 . 11250 1 759 . 1 1 65 65 ILE N N 15 122.532 0.400 . 1 . . . . 65 ILE N . 11250 1 760 . 1 1 66 66 ILE H H 1 8.078 0.020 . 1 . . . . 66 ILE HN . 11250 1 761 . 1 1 66 66 ILE HA H 1 3.631 0.020 . 1 . . . . 66 ILE HA . 11250 1 762 . 1 1 66 66 ILE HB H 1 1.671 0.020 . 1 . . . . 66 ILE HB . 11250 1 763 . 1 1 66 66 ILE HD11 H 1 0.797 0.020 . 1 . . . . 66 ILE HD1 . 11250 1 764 . 1 1 66 66 ILE HD12 H 1 0.797 0.020 . 1 . . . . 66 ILE HD1 . 11250 1 765 . 1 1 66 66 ILE HD13 H 1 0.797 0.020 . 1 . . . . 66 ILE HD1 . 11250 1 766 . 1 1 66 66 ILE HG12 H 1 1.562 0.020 . 2 . . . . 66 ILE HG12 . 11250 1 767 . 1 1 66 66 ILE HG13 H 1 1.562 0.020 . 2 . . . . 66 ILE HG13 . 11250 1 768 . 1 1 66 66 ILE HG21 H 1 0.736 0.020 . 1 . . . . 66 ILE HG2 . 11250 1 769 . 1 1 66 66 ILE HG22 H 1 0.736 0.020 . 1 . . . . 66 ILE HG2 . 11250 1 770 . 1 1 66 66 ILE HG23 H 1 0.736 0.020 . 1 . . . . 66 ILE HG2 . 11250 1 771 . 1 1 66 66 ILE CA C 13 65.065 0.400 . 1 . . . . 66 ILE CA . 11250 1 772 . 1 1 66 66 ILE CB C 13 38.637 0.400 . 1 . . . . 66 ILE CB . 11250 1 773 . 1 1 66 66 ILE CD1 C 13 15.552 0.400 . 1 . . . . 66 ILE CD1 . 11250 1 774 . 1 1 66 66 ILE CG1 C 13 28.966 0.400 . 1 . . . . 66 ILE CG1 . 11250 1 775 . 1 1 66 66 ILE CG2 C 13 16.138 0.400 . 1 . . . . 66 ILE CG2 . 11250 1 776 . 1 1 66 66 ILE N N 15 120.157 0.400 . 1 . . . . 66 ILE N . 11250 1 777 . 1 1 67 67 SER H H 1 8.047 0.020 . 1 . . . . 67 SER HN . 11250 1 778 . 1 1 67 67 SER HA H 1 4.300 0.020 . 1 . . . . 67 SER HA . 11250 1 779 . 1 1 67 67 SER HB2 H 1 3.530 0.020 . 2 . . . . 67 SER HB2 . 11250 1 780 . 1 1 67 67 SER HB3 H 1 3.638 0.020 . 2 . . . . 67 SER HB3 . 11250 1 781 . 1 1 67 67 SER CA C 13 61.638 0.400 . 1 . . . . 67 SER CA . 11250 1 782 . 1 1 67 67 SER CB C 13 62.605 0.400 . 1 . . . . 67 SER CB . 11250 1 783 . 1 1 67 67 SER N N 15 114.178 0.400 . 1 . . . . 67 SER N . 11250 1 784 . 1 1 68 68 SER H H 1 7.718 0.020 . 1 . . . . 68 SER HN . 11250 1 785 . 1 1 68 68 SER HA H 1 4.293 0.020 . 1 . . . . 68 SER HA . 11250 1 786 . 1 1 68 68 SER HB2 H 1 3.965 0.020 . 2 . . . . 68 SER HB2 . 11250 1 787 . 1 1 68 68 SER HB3 H 1 3.965 0.020 . 2 . . . . 68 SER HB3 . 11250 1 788 . 1 1 68 68 SER CA C 13 60.558 0.400 . 1 . . . . 68 SER CA . 11250 1 789 . 1 1 68 68 SER CB C 13 64.001 0.400 . 1 . . . . 68 SER CB . 11250 1 790 . 1 1 68 68 SER N N 15 116.627 0.400 . 1 . . . . 68 SER N . 11250 1 791 . 1 1 69 69 GLU H H 1 7.869 0.020 . 1 . . . . 69 GLU HN . 11250 1 792 . 1 1 69 69 GLU HA H 1 4.108 0.020 . 1 . . . . 69 GLU HA . 11250 1 793 . 1 1 69 69 GLU HB2 H 1 2.011 0.020 . 2 . . . . 69 GLU HB2 . 11250 1 794 . 1 1 69 69 GLU HB3 H 1 1.965 0.020 . 2 . . . . 69 GLU HB3 . 11250 1 795 . 1 1 69 69 GLU HG2 H 1 2.151 0.020 . 2 . . . . 69 GLU HG2 . 11250 1 796 . 1 1 69 69 GLU HG3 H 1 2.394 0.020 . 2 . . . . 69 GLU HG3 . 11250 1 797 . 1 1 69 69 GLU CA C 13 57.672 0.400 . 1 . . . . 69 GLU CA . 11250 1 798 . 1 1 69 69 GLU CB C 13 29.802 0.400 . 1 . . . . 69 GLU CB . 11250 1 799 . 1 1 69 69 GLU CG C 13 36.593 0.400 . 1 . . . . 69 GLU CG . 11250 1 800 . 1 1 69 69 GLU N N 15 121.689 0.400 . 1 . . . . 69 GLU N . 11250 1 801 . 1 1 70 70 LYS H H 1 7.777 0.020 . 1 . . . . 70 LYS HN . 11250 1 802 . 1 1 70 70 LYS HA H 1 4.164 0.020 . 1 . . . . 70 LYS HA . 11250 1 803 . 1 1 70 70 LYS HB2 H 1 1.767 0.020 . 2 . . . . 70 LYS HB2 . 11250 1 804 . 1 1 70 70 LYS HB3 H 1 1.767 0.020 . 2 . . . . 70 LYS HB3 . 11250 1 805 . 1 1 70 70 LYS HD2 H 1 1.600 0.020 . 2 . . . . 70 LYS HD2 . 11250 1 806 . 1 1 70 70 LYS HD3 H 1 1.600 0.020 . 2 . . . . 70 LYS HD3 . 11250 1 807 . 1 1 70 70 LYS HE2 H 1 2.909 0.020 . 2 . . . . 70 LYS HE2 . 11250 1 808 . 1 1 70 70 LYS HE3 H 1 2.909 0.020 . 2 . . . . 70 LYS HE3 . 11250 1 809 . 1 1 70 70 LYS HG2 H 1 1.436 0.020 . 2 . . . . 70 LYS HG2 . 11250 1 810 . 1 1 70 70 LYS HG3 H 1 1.436 0.020 . 2 . . . . 70 LYS HG3 . 11250 1 811 . 1 1 70 70 LYS CA C 13 57.197 0.400 . 1 . . . . 70 LYS CA . 11250 1 812 . 1 1 70 70 LYS CB C 13 32.708 0.400 . 1 . . . . 70 LYS CB . 11250 1 813 . 1 1 70 70 LYS CD C 13 29.062 0.400 . 1 . . . . 70 LYS CD . 11250 1 814 . 1 1 70 70 LYS CE C 13 42.193 0.400 . 1 . . . . 70 LYS CE . 11250 1 815 . 1 1 70 70 LYS CG C 13 24.062 0.400 . 1 . . . . 70 LYS CG . 11250 1 816 . 1 1 70 70 LYS N N 15 119.213 0.400 . 1 . . . . 70 LYS N . 11250 1 817 . 1 1 71 71 GLU H H 1 7.932 0.020 . 1 . . . . 71 GLU HN . 11250 1 818 . 1 1 71 71 GLU HA H 1 4.165 0.020 . 1 . . . . 71 GLU HA . 11250 1 819 . 1 1 71 71 GLU HB2 H 1 1.979 0.020 . 2 . . . . 71 GLU HB2 . 11250 1 820 . 1 1 71 71 GLU HB3 H 1 1.871 0.020 . 2 . . . . 71 GLU HB3 . 11250 1 821 . 1 1 71 71 GLU HG2 H 1 2.230 0.020 . 2 . . . . 71 GLU HG2 . 11250 1 822 . 1 1 71 71 GLU HG3 H 1 2.154 0.020 . 2 . . . . 71 GLU HG3 . 11250 1 823 . 1 1 71 71 GLU CA C 13 56.855 0.400 . 1 . . . . 71 GLU CA . 11250 1 824 . 1 1 71 71 GLU CB C 13 30.075 0.400 . 1 . . . . 71 GLU CB . 11250 1 825 . 1 1 71 71 GLU CG C 13 36.400 0.400 . 1 . . . . 71 GLU CG . 11250 1 826 . 1 1 71 71 GLU N N 15 119.693 0.400 . 1 . . . . 71 GLU N . 11250 1 827 . 1 1 72 72 LEU H H 1 7.962 0.020 . 1 . . . . 72 LEU HN . 11250 1 828 . 1 1 72 72 LEU HA H 1 4.271 0.020 . 1 . . . . 72 LEU HA . 11250 1 829 . 1 1 72 72 LEU HB2 H 1 1.588 0.020 . 2 . . . . 72 LEU HB2 . 11250 1 830 . 1 1 72 72 LEU HB3 H 1 1.588 0.020 . 2 . . . . 72 LEU HB3 . 11250 1 831 . 1 1 72 72 LEU HD11 H 1 0.776 0.020 . 2 . . . . 72 LEU HD1 . 11250 1 832 . 1 1 72 72 LEU HD12 H 1 0.776 0.020 . 2 . . . . 72 LEU HD1 . 11250 1 833 . 1 1 72 72 LEU HD13 H 1 0.776 0.020 . 2 . . . . 72 LEU HD1 . 11250 1 834 . 1 1 72 72 LEU HD21 H 1 0.849 0.020 . 2 . . . . 72 LEU HD2 . 11250 1 835 . 1 1 72 72 LEU HD22 H 1 0.849 0.020 . 2 . . . . 72 LEU HD2 . 11250 1 836 . 1 1 72 72 LEU HD23 H 1 0.849 0.020 . 2 . . . . 72 LEU HD2 . 11250 1 837 . 1 1 72 72 LEU HG H 1 1.588 0.020 . 1 . . . . 72 LEU HG . 11250 1 838 . 1 1 72 72 LEU CA C 13 55.216 0.400 . 1 . . . . 72 LEU CA . 11250 1 839 . 1 1 72 72 LEU CB C 13 35.468 0.400 . 1 . . . . 72 LEU CB . 11250 1 840 . 1 1 72 72 LEU CD1 C 13 23.289 0.400 . 1 . . . . 72 LEU CD1 . 11250 1 841 . 1 1 72 72 LEU CD2 C 13 24.621 0.400 . 1 . . . . 72 LEU CD2 . 11250 1 842 . 1 1 72 72 LEU CG C 13 26.938 0.400 . 1 . . . . 72 LEU CG . 11250 1 843 . 1 1 72 72 LEU N N 15 122.325 0.400 . 1 . . . . 72 LEU N . 11250 1 844 . 1 1 73 73 LYS H H 1 8.144 0.020 . 1 . . . . 73 LYS HN . 11250 1 845 . 1 1 73 73 LYS HA H 1 4.299 0.020 . 1 . . . . 73 LYS HA . 11250 1 846 . 1 1 73 73 LYS HB2 H 1 1.807 0.020 . 2 . . . . 73 LYS HB2 . 11250 1 847 . 1 1 73 73 LYS HB3 H 1 1.807 0.020 . 2 . . . . 73 LYS HB3 . 11250 1 848 . 1 1 73 73 LYS HD2 H 1 1.607 0.020 . 2 . . . . 73 LYS HD2 . 11250 1 849 . 1 1 73 73 LYS HD3 H 1 1.607 0.020 . 2 . . . . 73 LYS HD3 . 11250 1 850 . 1 1 73 73 LYS HE2 H 1 2.920 0.020 . 2 . . . . 73 LYS HE2 . 11250 1 851 . 1 1 73 73 LYS HE3 H 1 2.920 0.020 . 2 . . . . 73 LYS HE3 . 11250 1 852 . 1 1 73 73 LYS HG2 H 1 1.375 0.020 . 2 . . . . 73 LYS HG2 . 11250 1 853 . 1 1 73 73 LYS HG3 H 1 1.375 0.020 . 2 . . . . 73 LYS HG3 . 11250 1 854 . 1 1 73 73 LYS CA C 13 56.232 0.400 . 1 . . . . 73 LYS CA . 11250 1 855 . 1 1 73 73 LYS CB C 13 32.828 0.400 . 1 . . . . 73 LYS CB . 11250 1 856 . 1 1 73 73 LYS CD C 13 28.966 0.400 . 1 . . . . 73 LYS CD . 11250 1 857 . 1 1 73 73 LYS CE C 13 42.482 0.400 . 1 . . . . 73 LYS CE . 11250 1 858 . 1 1 73 73 LYS CG C 13 24.814 0.400 . 1 . . . . 73 LYS CG . 11250 1 859 . 1 1 73 73 LYS N N 15 122.470 0.400 . 1 . . . . 73 LYS N . 11250 1 860 . 1 1 74 74 ASN H H 1 7.928 0.020 . 1 . . . . 74 ASN HN . 11250 1 861 . 1 1 74 74 ASN HA H 1 4.399 0.020 . 1 . . . . 74 ASN HA . 11250 1 862 . 1 1 74 74 ASN HD21 H 1 7.424 0.020 . 2 . . . . 74 ASN HD21 . 11250 1 863 . 1 1 74 74 ASN HD22 H 1 6.707 0.020 . 2 . . . . 74 ASN HD22 . 11250 1 864 . 1 1 74 74 ASN CA C 13 54.860 0.400 . 1 . . . . 74 ASN CA . 11250 1 865 . 1 1 74 74 ASN CB C 13 40.518 0.400 . 1 . . . . 74 ASN CB . 11250 1 866 . 1 1 74 74 ASN N N 15 125.468 0.400 . 1 . . . . 74 ASN N . 11250 1 867 . 1 1 74 74 ASN ND2 N 15 112.600 0.400 . 1 . . . . 74 ASN ND2 . 11250 1 stop_ save_