data_11009 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11009 _Entry.Title ; SOLUTION STRUCTURE OF THE LSM DOMAIN OF Dm EDC3 (ENHANCER OF DECAPPING 3) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-20 _Entry.Accession_date 2007-09-20 _Entry.Last_release_date 2008-06-25 _Entry.Original_release_date 2008-06-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 V. Truffault V. . . 11009 2 M. Coles M. . . 11009 3 F. Tritschler F. . . 11009 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ENHANCER OF MRNA DECAPPING' . 11009 'P-BODY COMPONENT' . 11009 'SM-LIKE PROTEIN' . 11009 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11009 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 11009 '15N chemical shifts' 91 11009 '1H chemical shifts' 631 11009 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 . . 2008-06-25 2007-09-20 original author . 11009 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RM4 'BMRB Entry Tracking System' 11009 PDB 2VC8 'Human Homologue' 11009 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 11009 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17923697 _Citation.Full_citation . _Citation.Title 'A divergent Sm fold in EDC3 proteins mediates DCP1 binding and P-body targeting' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 27 _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 8600 _Citation.Page_last 8611 _Citation.Year 2007 _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 F. Tritschler F. . . 11009 1 2 A. Eulalio A. . . 11009 1 3 V. Truffault V. . . 11009 1 4 M. Hartmann M. D. . 11009 1 5 S. Helms S. . . 11009 1 6 S. Schmidt S. . . 11009 1 7 M. Coles M. . . 11009 1 8 E. Izaurralde E. . . 11009 1 9 O. Weichenrieder O. . . 11009 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11009 _Assembly.ID 1 _Assembly.Name 'Dm LSm16 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11104.973 _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 'Dm EDC3' 1 $Dm_EDC3 A . yes native no no . . . 11009 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2VC8 . . X-ray 1.3 'Structure of the LSm16 domain of human EDC3' . 11009 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dm_EDC3 _Entity.Sf_category entity _Entity.Sf_framecode Dm_EDC3 _Entity.Entry_ID 11009 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dm_EDC3 _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 ; GAMGPTDQDWIGCAVSIACD EVLGVFQGLIKQISAEEITI VRAFRNGVPLRKQNAEVVLK CTDIRSIDLIEPAKQDLDGH TAPPPVVNKPTPVKLPHFSN ILG ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'LSM DOMAIN' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11104.973 _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 2RM4 . "Solution Structure Of The Lsm Domain Of Dm Edc3 (Enhancer Of Decapping 3)" . . . . . 100.00 103 100.00 100.00 1.42e-67 . . . . 11009 1 2 no GB AAF49329 . "enhancer of decapping 3 [Drosophila melanogaster]" . . . . . 98.06 680 100.00 100.00 1.09e-62 . . . . 11009 1 3 no GB ACU33955 . "LD04327p [Drosophila melanogaster]" . . . . . 98.06 680 100.00 100.00 1.09e-62 . . . . 11009 1 4 no GB EDV51955 . "uncharacterized protein Dere_GG15804 [Drosophila erecta]" . . . . . 98.06 669 98.02 99.01 6.55e-62 . . . . 11009 1 5 no GB EDW41894 . "GM24326 [Drosophila sechellia]" . . . . . 98.06 676 97.03 98.02 5.61e-61 . . . . 11009 1 6 no GB EDW94709 . "uncharacterized protein Dyak_GE22142 [Drosophila yakuba]" . . . . . 98.06 674 98.02 99.01 7.49e-62 . . . . 11009 1 7 no REF NP_648992 . "enhancer of decapping 3 [Drosophila melanogaster]" . . . . . 98.06 680 100.00 100.00 1.09e-62 . . . . 11009 1 8 no REF XP_001972929 . "GG15804 [Drosophila erecta]" . . . . . 98.06 669 98.02 99.01 6.55e-62 . . . . 11009 1 9 no REF XP_002030908 . "GM24326 [Drosophila sechellia]" . . . . . 98.06 676 97.03 98.02 5.61e-61 . . . . 11009 1 10 no REF XP_002085281 . "GD12399 [Drosophila simulans]" . . . . . 98.06 676 97.03 98.02 4.30e-61 . . . . 11009 1 11 no REF XP_002094997 . "GE22142 [Drosophila yakuba]" . . . . . 98.06 674 98.02 99.01 7.49e-62 . . . . 11009 1 12 no SP Q9VVI2 . "RecName: Full=Enhancer of mRNA-decapping protein 3" . . . . . 98.06 680 100.00 100.00 1.09e-62 . . . . 11009 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 -1 GLY . 11009 1 2 0 ALA . 11009 1 3 1 MET . 11009 1 4 2 GLY . 11009 1 5 3 PRO . 11009 1 6 4 THR . 11009 1 7 5 ASP . 11009 1 8 6 GLN . 11009 1 9 7 ASP . 11009 1 10 8 TRP . 11009 1 11 9 ILE . 11009 1 12 10 GLY . 11009 1 13 11 CYS . 11009 1 14 12 ALA . 11009 1 15 13 VAL . 11009 1 16 14 SER . 11009 1 17 15 ILE . 11009 1 18 16 ALA . 11009 1 19 17 CYS . 11009 1 20 18 ASP . 11009 1 21 19 GLU . 11009 1 22 20 VAL . 11009 1 23 21 LEU . 11009 1 24 22 GLY . 11009 1 25 23 VAL . 11009 1 26 24 PHE . 11009 1 27 25 GLN . 11009 1 28 26 GLY . 11009 1 29 27 LEU . 11009 1 30 28 ILE . 11009 1 31 29 LYS . 11009 1 32 30 GLN . 11009 1 33 31 ILE . 11009 1 34 32 SER . 11009 1 35 33 ALA . 11009 1 36 34 GLU . 11009 1 37 35 GLU . 11009 1 38 36 ILE . 11009 1 39 37 THR . 11009 1 40 38 ILE . 11009 1 41 39 VAL . 11009 1 42 40 ARG . 11009 1 43 41 ALA . 11009 1 44 42 PHE . 11009 1 45 43 ARG . 11009 1 46 44 ASN . 11009 1 47 45 GLY . 11009 1 48 46 VAL . 11009 1 49 47 PRO . 11009 1 50 48 LEU . 11009 1 51 49 ARG . 11009 1 52 50 LYS . 11009 1 53 51 GLN . 11009 1 54 52 ASN . 11009 1 55 53 ALA . 11009 1 56 54 GLU . 11009 1 57 55 VAL . 11009 1 58 56 VAL . 11009 1 59 57 LEU . 11009 1 60 58 LYS . 11009 1 61 59 CYS . 11009 1 62 60 THR . 11009 1 63 61 ASP . 11009 1 64 62 ILE . 11009 1 65 63 ARG . 11009 1 66 64 SER . 11009 1 67 65 ILE . 11009 1 68 66 ASP . 11009 1 69 67 LEU . 11009 1 70 68 ILE . 11009 1 71 69 GLU . 11009 1 72 70 PRO . 11009 1 73 71 ALA . 11009 1 74 72 LYS . 11009 1 75 73 GLN . 11009 1 76 74 ASP . 11009 1 77 75 LEU . 11009 1 78 76 ASP . 11009 1 79 77 GLY . 11009 1 80 78 HIS . 11009 1 81 79 THR . 11009 1 82 80 ALA . 11009 1 83 81 PRO . 11009 1 84 82 PRO . 11009 1 85 83 PRO . 11009 1 86 84 VAL . 11009 1 87 85 VAL . 11009 1 88 86 ASN . 11009 1 89 87 LYS . 11009 1 90 88 PRO . 11009 1 91 89 THR . 11009 1 92 90 PRO . 11009 1 93 91 VAL . 11009 1 94 92 LYS . 11009 1 95 93 LEU . 11009 1 96 94 PRO . 11009 1 97 95 HIS . 11009 1 98 96 PHE . 11009 1 99 97 SER . 11009 1 100 98 ASN . 11009 1 101 99 ILE . 11009 1 102 100 LEU . 11009 1 103 101 GLY . 11009 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 . GLY 1 1 11009 1 . ALA 2 2 11009 1 . MET 3 3 11009 1 . GLY 4 4 11009 1 . PRO 5 5 11009 1 . THR 6 6 11009 1 . ASP 7 7 11009 1 . GLN 8 8 11009 1 . ASP 9 9 11009 1 . TRP 10 10 11009 1 . ILE 11 11 11009 1 . GLY 12 12 11009 1 . CYS 13 13 11009 1 . ALA 14 14 11009 1 . VAL 15 15 11009 1 . SER 16 16 11009 1 . ILE 17 17 11009 1 . ALA 18 18 11009 1 . CYS 19 19 11009 1 . ASP 20 20 11009 1 . GLU 21 21 11009 1 . VAL 22 22 11009 1 . LEU 23 23 11009 1 . GLY 24 24 11009 1 . VAL 25 25 11009 1 . PHE 26 26 11009 1 . GLN 27 27 11009 1 . GLY 28 28 11009 1 . LEU 29 29 11009 1 . ILE 30 30 11009 1 . LYS 31 31 11009 1 . GLN 32 32 11009 1 . ILE 33 33 11009 1 . SER 34 34 11009 1 . ALA 35 35 11009 1 . GLU 36 36 11009 1 . GLU 37 37 11009 1 . ILE 38 38 11009 1 . THR 39 39 11009 1 . ILE 40 40 11009 1 . VAL 41 41 11009 1 . ARG 42 42 11009 1 . ALA 43 43 11009 1 . PHE 44 44 11009 1 . ARG 45 45 11009 1 . ASN 46 46 11009 1 . GLY 47 47 11009 1 . VAL 48 48 11009 1 . PRO 49 49 11009 1 . LEU 50 50 11009 1 . ARG 51 51 11009 1 . LYS 52 52 11009 1 . GLN 53 53 11009 1 . ASN 54 54 11009 1 . ALA 55 55 11009 1 . GLU 56 56 11009 1 . VAL 57 57 11009 1 . VAL 58 58 11009 1 . LEU 59 59 11009 1 . LYS 60 60 11009 1 . CYS 61 61 11009 1 . THR 62 62 11009 1 . ASP 63 63 11009 1 . ILE 64 64 11009 1 . ARG 65 65 11009 1 . SER 66 66 11009 1 . ILE 67 67 11009 1 . ASP 68 68 11009 1 . LEU 69 69 11009 1 . ILE 70 70 11009 1 . GLU 71 71 11009 1 . PRO 72 72 11009 1 . ALA 73 73 11009 1 . LYS 74 74 11009 1 . GLN 75 75 11009 1 . ASP 76 76 11009 1 . LEU 77 77 11009 1 . ASP 78 78 11009 1 . GLY 79 79 11009 1 . HIS 80 80 11009 1 . THR 81 81 11009 1 . ALA 82 82 11009 1 . PRO 83 83 11009 1 . PRO 84 84 11009 1 . PRO 85 85 11009 1 . VAL 86 86 11009 1 . VAL 87 87 11009 1 . ASN 88 88 11009 1 . LYS 89 89 11009 1 . PRO 90 90 11009 1 . THR 91 91 11009 1 . PRO 92 92 11009 1 . VAL 93 93 11009 1 . LYS 94 94 11009 1 . LEU 95 95 11009 1 . PRO 96 96 11009 1 . HIS 97 97 11009 1 . PHE 98 98 11009 1 . SER 99 99 11009 1 . ASN 100 100 11009 1 . ILE 101 101 11009 1 . LEU 102 102 11009 1 . GLY 103 103 11009 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 11009 _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 $Dm_EDC3 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 11009 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 11009 _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 $Dm_EDC3 . 'recombinant technology' 'ESCHERICHIA COLI' . . . ESCHERICHIA COLI 'BL21 (DE3) ROSETTA II' . . . . . . . . . . . . . . . PETM60 . . . . . . 11009 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11009 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'Dm EDC3' '[U-100% 15N]' . . 1 $Dm_EDC3 . . 1.2 . . mM . . . . 11009 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11009 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'Dm EDC3' '[U-100% 13C; U-100% 15N]' . . 1 $Dm_EDC3 . . 0.8 . . mM . . . . 11009 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 11009 _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' 100 . mM 11009 1 pH 7.1 . pH 11009 1 pressure 1 . atm 11009 1 temperature 298 . K 11009 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11009 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11009 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11009 1 processing 11009 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11009 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11009 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11009 2 stop_ save_ save_Pasta _Software.Sf_category software _Software.Sf_framecode Pasta _Software.Entry_ID 11009 _Software.ID 3 _Software.Name PASTA _Software.Version V0.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Leutner et al' . . 11009 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11009 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11009 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.4a _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 11009 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11009 4 'structure solution' 11009 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 11009 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11009 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 11009 _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 DMX . 600 . . . 11009 1 2 spectrometer_2 Bruker DMX . 750 . . . 11009 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 11009 _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 . . . . . . . . . . . . . . . . . . . . . 11009 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 5 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 6 '3D CCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 7 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 8 '3D CNH-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 10 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 11 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 12 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 13 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 14 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 16 '3D NNH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 1 17 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 11009 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 11009 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 11009 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11009 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 11009 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 11009 _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 4 '3D CBCA(CO)NH' . . . 11009 1 6 '3D CCH-COSY' . . . 11009 1 7 '3D CCH-TOCSY' . . . 11009 1 12 '3D HNCO' . . . 11009 1 17 '2D 1H-1H NOESY' . . . 11009 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 GLY HA2 H 1 3.77 0.02 . 2 . . . . -1 GLY HA2 . 11009 1 2 . 1 1 1 1 GLY HA3 H 1 3.13 0.02 . 2 . . . . -1 GLY HA3 . 11009 1 3 . 1 1 1 1 GLY CA C 13 43.49 0.05 . 1 . . . . -1 GLY CA . 11009 1 4 . 1 1 2 2 ALA HA H 1 4.28 0.02 . 1 . . . . 0 ALA HA . 11009 1 5 . 1 1 2 2 ALA HB1 H 1 1.31 0.02 . 1 . . . . 0 ALA HB . 11009 1 6 . 1 1 2 2 ALA HB2 H 1 1.31 0.02 . 1 . . . . 0 ALA HB . 11009 1 7 . 1 1 2 2 ALA HB3 H 1 1.31 0.02 . 1 . . . . 0 ALA HB . 11009 1 8 . 1 1 2 2 ALA C C 13 177.57 0.05 . 1 . . . . 0 ALA C . 11009 1 9 . 1 1 2 2 ALA CA C 13 52.64 0.05 . 1 . . . . 0 ALA CA . 11009 1 10 . 1 1 2 2 ALA CB C 13 19.38 0.05 . 1 . . . . 0 ALA CB . 11009 1 11 . 1 1 3 3 MET H H 1 8.42 0.02 . 1 . . . . 1 MET H . 11009 1 12 . 1 1 3 3 MET HA H 1 4.40 0.02 . 1 . . . . 1 MET HA . 11009 1 13 . 1 1 3 3 MET HB2 H 1 1.96 0.02 . 2 . . . . 1 MET HB2 . 11009 1 14 . 1 1 3 3 MET HB3 H 1 1.86 0.02 . 2 . . . . 1 MET HB3 . 11009 1 15 . 1 1 3 3 MET HG2 H 1 2.41 0.02 . 2 . . . . 1 MET HG2 . 11009 1 16 . 1 1 3 3 MET HG3 H 1 2.36 0.02 . 2 . . . . 1 MET HG3 . 11009 1 17 . 1 1 3 3 MET C C 13 176.15 0.05 . 1 . . . . 1 MET C . 11009 1 18 . 1 1 3 3 MET CA C 13 55.26 0.05 . 1 . . . . 1 MET CA . 11009 1 19 . 1 1 3 3 MET CB C 13 32.67 0.05 . 1 . . . . 1 MET CB . 11009 1 20 . 1 1 3 3 MET CG C 13 31.98 0.05 . 1 . . . . 1 MET CG . 11009 1 21 . 1 1 3 3 MET N N 15 118.85 0.05 . 1 . . . . 1 MET N . 11009 1 22 . 1 1 4 4 GLY H H 1 8.19 0.02 . 1 . . . . 2 GLY H . 11009 1 23 . 1 1 4 4 GLY HA2 H 1 4.08 0.02 . 2 . . . . 2 GLY HA2 . 11009 1 24 . 1 1 4 4 GLY HA3 H 1 3.98 0.02 . 2 . . . . 2 GLY HA3 . 11009 1 25 . 1 1 4 4 GLY C C 13 171.92 0.05 . 1 . . . . 2 GLY C . 11009 1 26 . 1 1 4 4 GLY CA C 13 44.52 0.05 . 1 . . . . 2 GLY CA . 11009 1 27 . 1 1 4 4 GLY N N 15 110.24 0.05 . 1 . . . . 2 GLY N . 11009 1 28 . 1 1 5 5 PRO HA H 1 4.37 0.02 . 1 . . . . 3 PRO HA . 11009 1 29 . 1 1 5 5 PRO HG3 H 1 1.88 0.02 . 2 . . . . 3 PRO HG3 . 11009 1 30 . 1 1 5 5 PRO HD2 H 1 3.54 0.02 . 2 . . . . 3 PRO HD2 . 11009 1 31 . 1 1 5 5 PRO HD3 H 1 3.49 0.02 . 2 . . . . 3 PRO HD3 . 11009 1 32 . 1 1 5 5 PRO CA C 13 63.47 0.05 . 1 . . . . 3 PRO CA . 11009 1 33 . 1 1 5 5 PRO CB C 13 32.07 0.05 . 1 . . . . 3 PRO CB . 11009 1 34 . 1 1 5 5 PRO CG C 13 27.13 0.05 . 1 . . . . 3 PRO CG . 11009 1 35 . 1 1 5 5 PRO CD C 13 49.63 0.05 . 1 . . . . 3 PRO CD . 11009 1 36 . 1 1 6 6 THR H H 1 8.08 0.02 . 1 . . . . 4 THR H . 11009 1 37 . 1 1 6 6 THR HA H 1 4.15 0.02 . 1 . . . . 4 THR HA . 11009 1 38 . 1 1 6 6 THR HB H 1 4.12 0.02 . 1 . . . . 4 THR HB . 11009 1 39 . 1 1 6 6 THR HG21 H 1 1.00 0.02 . 1 . . . . 4 THR HG2 . 11009 1 40 . 1 1 6 6 THR HG22 H 1 1.00 0.02 . 1 . . . . 4 THR HG2 . 11009 1 41 . 1 1 6 6 THR HG23 H 1 1.00 0.02 . 1 . . . . 4 THR HG2 . 11009 1 42 . 1 1 6 6 THR C C 13 174.21 0.05 . 1 . . . . 4 THR C . 11009 1 43 . 1 1 6 6 THR CA C 13 61.15 0.05 . 1 . . . . 4 THR CA . 11009 1 44 . 1 1 6 6 THR CB C 13 70.06 0.05 . 1 . . . . 4 THR CB . 11009 1 45 . 1 1 6 6 THR CG2 C 13 21.49 0.05 . 1 . . . . 4 THR CG2 . 11009 1 46 . 1 1 6 6 THR N N 15 111.92 0.05 . 1 . . . . 4 THR N . 11009 1 47 . 1 1 7 7 ASP H H 1 7.86 0.02 . 1 . . . . 5 ASP H . 11009 1 48 . 1 1 7 7 ASP HA H 1 4.36 0.02 . 1 . . . . 5 ASP HA . 11009 1 49 . 1 1 7 7 ASP HB2 H 1 2.53 0.02 . 1 . . . . 5 ASP HB2 . 11009 1 50 . 1 1 7 7 ASP HB3 H 1 2.53 0.02 . 1 . . . . 5 ASP HB3 . 11009 1 51 . 1 1 7 7 ASP C C 13 176.36 0.05 . 1 . . . . 5 ASP C . 11009 1 52 . 1 1 7 7 ASP CA C 13 54.90 0.05 . 1 . . . . 5 ASP CA . 11009 1 53 . 1 1 7 7 ASP CB C 13 40.95 0.05 . 1 . . . . 5 ASP CB . 11009 1 54 . 1 1 7 7 ASP N N 15 122.08 0.05 . 1 . . . . 5 ASP N . 11009 1 55 . 1 1 8 8 GLN H H 1 8.10 0.02 . 1 . . . . 6 GLN H . 11009 1 56 . 1 1 8 8 GLN HA H 1 3.98 0.02 . 1 . . . . 6 GLN HA . 11009 1 57 . 1 1 8 8 GLN HB2 H 1 1.81 0.02 . 1 . . . . 6 GLN HB2 . 11009 1 58 . 1 1 8 8 GLN HB3 H 1 1.98 0.02 . 1 . . . . 6 GLN HB3 . 11009 1 59 . 1 1 8 8 GLN HG2 H 1 2.15 0.02 . 1 . . . . 6 GLN HG2 . 11009 1 60 . 1 1 8 8 GLN HG3 H 1 2.15 0.02 . 1 . . . . 6 GLN HG3 . 11009 1 61 . 1 1 8 8 GLN HE21 H 1 6.79 0.02 . 2 . . . . 6 GLN HE21 . 11009 1 62 . 1 1 8 8 GLN HE22 H 1 7.33 0.02 . 2 . . . . 6 GLN HE22 . 11009 1 63 . 1 1 8 8 GLN C C 13 176.46 0.05 . 1 . . . . 6 GLN C . 11009 1 64 . 1 1 8 8 GLN CA C 13 56.58 0.05 . 1 . . . . 6 GLN CA . 11009 1 65 . 1 1 8 8 GLN CB C 13 28.72 0.05 . 1 . . . . 6 GLN CB . 11009 1 66 . 1 1 8 8 GLN CG C 13 33.57 0.05 . 1 . . . . 6 GLN CG . 11009 1 67 . 1 1 8 8 GLN N N 15 118.60 0.05 . 1 . . . . 6 GLN N . 11009 1 68 . 1 1 8 8 GLN NE2 N 15 112.73 0.05 . 1 . . . . 6 GLN NE2 . 11009 1 69 . 1 1 9 9 ASP H H 1 8.35 0.02 . 1 . . . . 7 ASP H . 11009 1 70 . 1 1 9 9 ASP HA H 1 4.44 0.02 . 1 . . . . 7 ASP HA . 11009 1 71 . 1 1 9 9 ASP HB2 H 1 2.53 0.02 . 1 . . . . 7 ASP HB2 . 11009 1 72 . 1 1 9 9 ASP HB3 H 1 2.53 0.02 . 1 . . . . 7 ASP HB3 . 11009 1 73 . 1 1 9 9 ASP C C 13 176.58 0.05 . 1 . . . . 7 ASP C . 11009 1 74 . 1 1 9 9 ASP CA C 13 55.11 0.05 . 1 . . . . 7 ASP CA . 11009 1 75 . 1 1 9 9 ASP CB C 13 40.25 0.05 . 1 . . . . 7 ASP CB . 11009 1 76 . 1 1 9 9 ASP N N 15 120.64 0.05 . 1 . . . . 7 ASP N . 11009 1 77 . 1 1 10 10 TRP H H 1 8.03 0.02 . 1 . . . . 8 TRP H . 11009 1 78 . 1 1 10 10 TRP HA H 1 4.65 0.02 . 1 . . . . 8 TRP HA . 11009 1 79 . 1 1 10 10 TRP HB2 H 1 3.01 0.02 . 1 . . . . 8 TRP HB2 . 11009 1 80 . 1 1 10 10 TRP HB3 H 1 3.35 0.02 . 1 . . . . 8 TRP HB3 . 11009 1 81 . 1 1 10 10 TRP HD1 H 1 7.20 0.02 . 1 . . . . 8 TRP HD1 . 11009 1 82 . 1 1 10 10 TRP HE1 H 1 9.95 0.02 . 1 . . . . 8 TRP HE1 . 11009 1 83 . 1 1 10 10 TRP HE3 H 1 7.26 0.02 . 1 . . . . 8 TRP HE3 . 11009 1 84 . 1 1 10 10 TRP HZ2 H 1 7.37 0.02 . 1 . . . . 8 TRP HZ2 . 11009 1 85 . 1 1 10 10 TRP HZ3 H 1 6.74 0.02 . 1 . . . . 8 TRP HZ3 . 11009 1 86 . 1 1 10 10 TRP HH2 H 1 7.07 0.02 . 1 . . . . 8 TRP HH2 . 11009 1 87 . 1 1 10 10 TRP C C 13 177.01 0.05 . 1 . . . . 8 TRP C . 11009 1 88 . 1 1 10 10 TRP CA C 13 57.99 0.05 . 1 . . . . 8 TRP CA . 11009 1 89 . 1 1 10 10 TRP CB C 13 29.86 0.05 . 1 . . . . 8 TRP CB . 11009 1 90 . 1 1 10 10 TRP N N 15 119.39 0.05 . 1 . . . . 8 TRP N . 11009 1 91 . 1 1 10 10 TRP NE1 N 15 128.75 0.05 . 1 . . . . 8 TRP NE1 . 11009 1 92 . 1 1 11 11 ILE H H 1 7.53 0.02 . 1 . . . . 9 ILE H . 11009 1 93 . 1 1 11 11 ILE HA H 1 3.40 0.02 . 1 . . . . 9 ILE HA . 11009 1 94 . 1 1 11 11 ILE HB H 1 1.94 0.02 . 1 . . . . 9 ILE HB . 11009 1 95 . 1 1 11 11 ILE HG12 H 1 1.21 0.02 . 1 . . . . 9 ILE HG12 . 11009 1 96 . 1 1 11 11 ILE HG13 H 1 1.59 0.02 . 1 . . . . 9 ILE HG13 . 11009 1 97 . 1 1 11 11 ILE HG21 H 1 0.88 0.02 . 1 . . . . 9 ILE HG2 . 11009 1 98 . 1 1 11 11 ILE HG22 H 1 0.88 0.02 . 1 . . . . 9 ILE HG2 . 11009 1 99 . 1 1 11 11 ILE HG23 H 1 0.88 0.02 . 1 . . . . 9 ILE HG2 . 11009 1 100 . 1 1 11 11 ILE HD11 H 1 0.86 0.02 . 1 . . . . 9 ILE HD1 . 11009 1 101 . 1 1 11 11 ILE HD12 H 1 0.86 0.02 . 1 . . . . 9 ILE HD1 . 11009 1 102 . 1 1 11 11 ILE HD13 H 1 0.86 0.02 . 1 . . . . 9 ILE HD1 . 11009 1 103 . 1 1 11 11 ILE C C 13 177.56 0.05 . 1 . . . . 9 ILE C . 11009 1 104 . 1 1 11 11 ILE CA C 13 63.46 0.05 . 1 . . . . 9 ILE CA . 11009 1 105 . 1 1 11 11 ILE CB C 13 35.91 0.05 . 1 . . . . 9 ILE CB . 11009 1 106 . 1 1 11 11 ILE CG1 C 13 28.27 0.05 . 1 . . . . 9 ILE CG1 . 11009 1 107 . 1 1 11 11 ILE CG2 C 13 17.30 0.05 . 1 . . . . 9 ILE CG2 . 11009 1 108 . 1 1 11 11 ILE CD1 C 13 11.87 0.05 . 1 . . . . 9 ILE CD1 . 11009 1 109 . 1 1 11 11 ILE N N 15 119.33 0.05 . 1 . . . . 9 ILE N . 11009 1 110 . 1 1 12 12 GLY H H 1 9.09 0.02 . 1 . . . . 10 GLY H . 11009 1 111 . 1 1 12 12 GLY HA2 H 1 4.35 0.02 . 1 . . . . 10 GLY HA2 . 11009 1 112 . 1 1 12 12 GLY HA3 H 1 3.54 0.02 . 1 . . . . 10 GLY HA3 . 11009 1 113 . 1 1 12 12 GLY C C 13 174.30 0.05 . 1 . . . . 10 GLY C . 11009 1 114 . 1 1 12 12 GLY CA C 13 44.90 0.05 . 1 . . . . 10 GLY CA . 11009 1 115 . 1 1 12 12 GLY N N 15 115.29 0.05 . 1 . . . . 10 GLY N . 11009 1 116 . 1 1 13 13 CYS H H 1 8.04 0.02 . 1 . . . . 11 CYS H . 11009 1 117 . 1 1 13 13 CYS HA H 1 4.35 0.02 . 1 . . . . 11 CYS HA . 11009 1 118 . 1 1 13 13 CYS HB2 H 1 2.67 0.02 . 1 . . . . 11 CYS HB2 . 11009 1 119 . 1 1 13 13 CYS HB3 H 1 3.04 0.02 . 1 . . . . 11 CYS HB3 . 11009 1 120 . 1 1 13 13 CYS C C 13 173.60 0.05 . 1 . . . . 11 CYS C . 11009 1 121 . 1 1 13 13 CYS CA C 13 60.19 0.05 . 1 . . . . 11 CYS CA . 11009 1 122 . 1 1 13 13 CYS CB C 13 28.37 0.05 . 1 . . . . 11 CYS CB . 11009 1 123 . 1 1 13 13 CYS N N 15 118.01 0.05 . 1 . . . . 11 CYS N . 11009 1 124 . 1 1 14 14 ALA H H 1 8.60 0.02 . 1 . . . . 12 ALA H . 11009 1 125 . 1 1 14 14 ALA HA H 1 5.09 0.02 . 1 . . . . 12 ALA HA . 11009 1 126 . 1 1 14 14 ALA HB1 H 1 1.27 0.02 . 1 . . . . 12 ALA HB . 11009 1 127 . 1 1 14 14 ALA HB2 H 1 1.27 0.02 . 1 . . . . 12 ALA HB . 11009 1 128 . 1 1 14 14 ALA HB3 H 1 1.27 0.02 . 1 . . . . 12 ALA HB . 11009 1 129 . 1 1 14 14 ALA C C 13 177.22 0.05 . 1 . . . . 12 ALA C . 11009 1 130 . 1 1 14 14 ALA CA C 13 51.31 0.05 . 1 . . . . 12 ALA CA . 11009 1 131 . 1 1 14 14 ALA CB C 13 19.09 0.05 . 1 . . . . 12 ALA CB . 11009 1 132 . 1 1 14 14 ALA N N 15 126.20 0.05 . 1 . . . . 12 ALA N . 11009 1 133 . 1 1 15 15 VAL H H 1 8.92 0.02 . 1 . . . . 13 VAL H . 11009 1 134 . 1 1 15 15 VAL HA H 1 5.27 0.02 . 1 . . . . 13 VAL HA . 11009 1 135 . 1 1 15 15 VAL HB H 1 1.96 0.02 . 1 . . . . 13 VAL HB . 11009 1 136 . 1 1 15 15 VAL HG11 H 1 0.84 0.02 . 1 . . . . 13 VAL HG1 . 11009 1 137 . 1 1 15 15 VAL HG12 H 1 0.84 0.02 . 1 . . . . 13 VAL HG1 . 11009 1 138 . 1 1 15 15 VAL HG13 H 1 0.84 0.02 . 1 . . . . 13 VAL HG1 . 11009 1 139 . 1 1 15 15 VAL HG21 H 1 0.73 0.02 . 1 . . . . 13 VAL HG2 . 11009 1 140 . 1 1 15 15 VAL HG22 H 1 0.73 0.02 . 1 . . . . 13 VAL HG2 . 11009 1 141 . 1 1 15 15 VAL HG23 H 1 0.73 0.02 . 1 . . . . 13 VAL HG2 . 11009 1 142 . 1 1 15 15 VAL C C 13 173.97 0.05 . 1 . . . . 13 VAL C . 11009 1 143 . 1 1 15 15 VAL CA C 13 58.91 0.05 . 1 . . . . 13 VAL CA . 11009 1 144 . 1 1 15 15 VAL CB C 13 36.84 0.05 . 1 . . . . 13 VAL CB . 11009 1 145 . 1 1 15 15 VAL CG1 C 13 22.19 0.05 . 1 . . . . 13 VAL CG1 . 11009 1 146 . 1 1 15 15 VAL CG2 C 13 18.25 0.05 . 1 . . . . 13 VAL CG2 . 11009 1 147 . 1 1 15 15 VAL N N 15 115.37 0.05 . 1 . . . . 13 VAL N . 11009 1 148 . 1 1 16 16 SER H H 1 8.78 0.02 . 1 . . . . 14 SER H . 11009 1 149 . 1 1 16 16 SER HA H 1 5.29 0.02 . 1 . . . . 14 SER HA . 11009 1 150 . 1 1 16 16 SER HB2 H 1 3.52 0.02 . 1 . . . . 14 SER HB2 . 11009 1 151 . 1 1 16 16 SER HB3 H 1 3.71 0.02 . 1 . . . . 14 SER HB3 . 11009 1 152 . 1 1 16 16 SER C C 13 174.73 0.05 . 1 . . . . 14 SER C . 11009 1 153 . 1 1 16 16 SER CA C 13 56.35 0.05 . 1 . . . . 14 SER CA . 11009 1 154 . 1 1 16 16 SER CB C 13 64.00 0.05 . 1 . . . . 14 SER CB . 11009 1 155 . 1 1 16 16 SER N N 15 114.48 0.05 . 1 . . . . 14 SER N . 11009 1 156 . 1 1 17 17 ILE H H 1 9.87 0.02 . 1 . . . . 15 ILE H . 11009 1 157 . 1 1 17 17 ILE HA H 1 4.77 0.02 . 1 . . . . 15 ILE HA . 11009 1 158 . 1 1 17 17 ILE HB H 1 1.66 0.02 . 1 . . . . 15 ILE HB . 11009 1 159 . 1 1 17 17 ILE HG12 H 1 1.40 0.02 . 1 . . . . 15 ILE HG12 . 11009 1 160 . 1 1 17 17 ILE HG13 H 1 0.77 0.02 . 1 . . . . 15 ILE HG13 . 11009 1 161 . 1 1 17 17 ILE HG21 H 1 0.84 0.02 . 1 . . . . 15 ILE HG2 . 11009 1 162 . 1 1 17 17 ILE HG22 H 1 0.84 0.02 . 1 . . . . 15 ILE HG2 . 11009 1 163 . 1 1 17 17 ILE HG23 H 1 0.84 0.02 . 1 . . . . 15 ILE HG2 . 11009 1 164 . 1 1 17 17 ILE HD11 H 1 0.60 0.02 . 1 . . . . 15 ILE HD1 . 11009 1 165 . 1 1 17 17 ILE HD12 H 1 0.60 0.02 . 1 . . . . 15 ILE HD1 . 11009 1 166 . 1 1 17 17 ILE HD13 H 1 0.60 0.02 . 1 . . . . 15 ILE HD1 . 11009 1 167 . 1 1 17 17 ILE C C 13 173.94 0.05 . 1 . . . . 15 ILE C . 11009 1 168 . 1 1 17 17 ILE CA C 13 60.41 0.05 . 1 . . . . 15 ILE CA . 11009 1 169 . 1 1 17 17 ILE CB C 13 41.30 0.05 . 1 . . . . 15 ILE CB . 11009 1 170 . 1 1 17 17 ILE CG1 C 13 27.88 0.05 . 1 . . . . 15 ILE CG1 . 11009 1 171 . 1 1 17 17 ILE CG2 C 13 19.37 0.05 . 1 . . . . 15 ILE CG2 . 11009 1 172 . 1 1 17 17 ILE CD1 C 13 14.67 0.05 . 1 . . . . 15 ILE CD1 . 11009 1 173 . 1 1 17 17 ILE N N 15 129.68 0.05 . 1 . . . . 15 ILE N . 11009 1 174 . 1 1 18 18 ALA H H 1 8.71 0.02 . 1 . . . . 16 ALA H . 11009 1 175 . 1 1 18 18 ALA HA H 1 4.90 0.02 . 1 . . . . 16 ALA HA . 11009 1 176 . 1 1 18 18 ALA HB1 H 1 1.42 0.02 . 1 . . . . 16 ALA HB . 11009 1 177 . 1 1 18 18 ALA HB2 H 1 1.42 0.02 . 1 . . . . 16 ALA HB . 11009 1 178 . 1 1 18 18 ALA HB3 H 1 1.42 0.02 . 1 . . . . 16 ALA HB . 11009 1 179 . 1 1 18 18 ALA C C 13 176.87 0.05 . 1 . . . . 16 ALA C . 11009 1 180 . 1 1 18 18 ALA CA C 13 51.78 0.05 . 1 . . . . 16 ALA CA . 11009 1 181 . 1 1 18 18 ALA CB C 13 19.70 0.05 . 1 . . . . 16 ALA CB . 11009 1 182 . 1 1 18 18 ALA N N 15 130.13 0.05 . 1 . . . . 16 ALA N . 11009 1 183 . 1 1 19 19 CYS H H 1 8.12 0.02 . 1 . . . . 17 CYS H . 11009 1 184 . 1 1 19 19 CYS HA H 1 5.05 0.02 . 1 . . . . 17 CYS HA . 11009 1 185 . 1 1 19 19 CYS HB2 H 1 3.50 0.02 . 1 . . . . 17 CYS HB2 . 11009 1 186 . 1 1 19 19 CYS HB3 H 1 3.27 0.02 . 1 . . . . 17 CYS HB3 . 11009 1 187 . 1 1 19 19 CYS C C 13 173.54 0.05 . 1 . . . . 17 CYS C . 11009 1 188 . 1 1 19 19 CYS CA C 13 57.88 0.05 . 1 . . . . 17 CYS CA . 11009 1 189 . 1 1 19 19 CYS CB C 13 30.40 0.05 . 1 . . . . 17 CYS CB . 11009 1 190 . 1 1 19 19 CYS N N 15 122.48 0.05 . 1 . . . . 17 CYS N . 11009 1 191 . 1 1 20 20 ASP H H 1 8.37 0.02 . 1 . . . . 18 ASP H . 11009 1 192 . 1 1 20 20 ASP HA H 1 4.47 0.02 . 1 . . . . 18 ASP HA . 11009 1 193 . 1 1 20 20 ASP HB2 H 1 2.84 0.02 . 2 . . . . 18 ASP HB2 . 11009 1 194 . 1 1 20 20 ASP HB3 H 1 2.78 0.02 . 2 . . . . 18 ASP HB3 . 11009 1 195 . 1 1 20 20 ASP C C 13 176.18 0.05 . 1 . . . . 18 ASP C . 11009 1 196 . 1 1 20 20 ASP CA C 13 54.81 0.05 . 1 . . . . 18 ASP CA . 11009 1 197 . 1 1 20 20 ASP CB C 13 41.35 0.05 . 1 . . . . 18 ASP CB . 11009 1 198 . 1 1 20 20 ASP N N 15 119.85 0.05 . 1 . . . . 18 ASP N . 11009 1 199 . 1 1 21 21 GLU H H 1 8.77 0.02 . 1 . . . . 19 GLU H . 11009 1 200 . 1 1 21 21 GLU HA H 1 3.93 0.02 . 1 . . . . 19 GLU HA . 11009 1 201 . 1 1 21 21 GLU HB2 H 1 2.01 0.02 . 1 . . . . 19 GLU HB2 . 11009 1 202 . 1 1 21 21 GLU HB3 H 1 2.01 0.02 . 1 . . . . 19 GLU HB3 . 11009 1 203 . 1 1 21 21 GLU HG2 H 1 2.26 0.02 . 1 . . . . 19 GLU HG2 . 11009 1 204 . 1 1 21 21 GLU HG3 H 1 2.26 0.02 . 1 . . . . 19 GLU HG3 . 11009 1 205 . 1 1 21 21 GLU C C 13 177.41 0.05 . 1 . . . . 19 GLU C . 11009 1 206 . 1 1 21 21 GLU CA C 13 59.45 0.05 . 1 . . . . 19 GLU CA . 11009 1 207 . 1 1 21 21 GLU CB C 13 29.31 0.05 . 1 . . . . 19 GLU CB . 11009 1 208 . 1 1 21 21 GLU CG C 13 36.29 0.05 . 1 . . . . 19 GLU CG . 11009 1 209 . 1 1 21 21 GLU N N 15 119.98 0.05 . 1 . . . . 19 GLU N . 11009 1 210 . 1 1 22 22 VAL H H 1 7.93 0.02 . 1 . . . . 20 VAL H . 11009 1 211 . 1 1 22 22 VAL HA H 1 3.76 0.02 . 1 . . . . 20 VAL HA . 11009 1 212 . 1 1 22 22 VAL HB H 1 2.11 0.02 . 1 . . . . 20 VAL HB . 11009 1 213 . 1 1 22 22 VAL HG11 H 1 0.92 0.02 . 1 . . . . 20 VAL HG1 . 11009 1 214 . 1 1 22 22 VAL HG12 H 1 0.92 0.02 . 1 . . . . 20 VAL HG1 . 11009 1 215 . 1 1 22 22 VAL HG13 H 1 0.92 0.02 . 1 . . . . 20 VAL HG1 . 11009 1 216 . 1 1 22 22 VAL HG21 H 1 0.92 0.02 . 1 . . . . 20 VAL HG2 . 11009 1 217 . 1 1 22 22 VAL HG22 H 1 0.92 0.02 . 1 . . . . 20 VAL HG2 . 11009 1 218 . 1 1 22 22 VAL HG23 H 1 0.92 0.02 . 1 . . . . 20 VAL HG2 . 11009 1 219 . 1 1 22 22 VAL C C 13 177.26 0.05 . 1 . . . . 20 VAL C . 11009 1 220 . 1 1 22 22 VAL CA C 13 64.73 0.05 . 1 . . . . 20 VAL CA . 11009 1 221 . 1 1 22 22 VAL CB C 13 31.51 0.05 . 1 . . . . 20 VAL CB . 11009 1 222 . 1 1 22 22 VAL CG1 C 13 21.03 0.05 . 1 . . . . 20 VAL CG1 . 11009 1 223 . 1 1 22 22 VAL CG2 C 13 21.03 0.05 . 1 . . . . 20 VAL CG2 . 11009 1 224 . 1 1 22 22 VAL N N 15 118.11 0.05 . 1 . . . . 20 VAL N . 11009 1 225 . 1 1 23 23 LEU H H 1 8.06 0.02 . 1 . . . . 21 LEU H . 11009 1 226 . 1 1 23 23 LEU HA H 1 4.28 0.02 . 1 . . . . 21 LEU HA . 11009 1 227 . 1 1 23 23 LEU HB2 H 1 1.89 0.02 . 1 . . . . 21 LEU HB2 . 11009 1 228 . 1 1 23 23 LEU HB3 H 1 1.62 0.02 . 1 . . . . 21 LEU HB3 . 11009 1 229 . 1 1 23 23 LEU HG H 1 1.72 0.02 . 1 . . . . 21 LEU HG . 11009 1 230 . 1 1 23 23 LEU HD11 H 1 1.00 0.02 . 1 . . . . 21 LEU HD1 . 11009 1 231 . 1 1 23 23 LEU HD12 H 1 1.00 0.02 . 1 . . . . 21 LEU HD1 . 11009 1 232 . 1 1 23 23 LEU HD13 H 1 1.00 0.02 . 1 . . . . 21 LEU HD1 . 11009 1 233 . 1 1 23 23 LEU HD21 H 1 0.94 0.02 . 1 . . . . 21 LEU HD2 . 11009 1 234 . 1 1 23 23 LEU HD22 H 1 0.94 0.02 . 1 . . . . 21 LEU HD2 . 11009 1 235 . 1 1 23 23 LEU HD23 H 1 0.94 0.02 . 1 . . . . 21 LEU HD2 . 11009 1 236 . 1 1 23 23 LEU C C 13 177.47 0.05 . 1 . . . . 21 LEU C . 11009 1 237 . 1 1 23 23 LEU CA C 13 57.17 0.05 . 1 . . . . 21 LEU CA . 11009 1 238 . 1 1 23 23 LEU CB C 13 43.34 0.05 . 1 . . . . 21 LEU CB . 11009 1 239 . 1 1 23 23 LEU CG C 13 27.57 0.05 . 1 . . . . 21 LEU CG . 11009 1 240 . 1 1 23 23 LEU CD1 C 13 24.92 0.05 . 1 . . . . 21 LEU CD1 . 11009 1 241 . 1 1 23 23 LEU CD2 C 13 23.39 0.05 . 1 . . . . 21 LEU CD2 . 11009 1 242 . 1 1 23 23 LEU N N 15 122.61 0.05 . 1 . . . . 21 LEU N . 11009 1 243 . 1 1 24 24 GLY H H 1 8.15 0.02 . 1 . . . . 22 GLY H . 11009 1 244 . 1 1 24 24 GLY HA2 H 1 3.60 0.02 . 1 . . . . 22 GLY HA2 . 11009 1 245 . 1 1 24 24 GLY HA3 H 1 4.17 0.02 . 1 . . . . 22 GLY HA3 . 11009 1 246 . 1 1 24 24 GLY C C 13 171.90 0.05 . 1 . . . . 22 GLY C . 11009 1 247 . 1 1 24 24 GLY CA C 13 44.41 0.05 . 1 . . . . 22 GLY CA . 11009 1 248 . 1 1 24 24 GLY N N 15 105.71 0.05 . 1 . . . . 22 GLY N . 11009 1 249 . 1 1 25 25 VAL H H 1 7.66 0.02 . 1 . . . . 23 VAL H . 11009 1 250 . 1 1 25 25 VAL HA H 1 4.90 0.02 . 1 . . . . 23 VAL HA . 11009 1 251 . 1 1 25 25 VAL HB H 1 1.87 0.02 . 1 . . . . 23 VAL HB . 11009 1 252 . 1 1 25 25 VAL HG11 H 1 0.78 0.02 . 1 . . . . 23 VAL HG1 . 11009 1 253 . 1 1 25 25 VAL HG12 H 1 0.78 0.02 . 1 . . . . 23 VAL HG1 . 11009 1 254 . 1 1 25 25 VAL HG13 H 1 0.78 0.02 . 1 . . . . 23 VAL HG1 . 11009 1 255 . 1 1 25 25 VAL HG21 H 1 0.89 0.02 . 1 . . . . 23 VAL HG2 . 11009 1 256 . 1 1 25 25 VAL HG22 H 1 0.89 0.02 . 1 . . . . 23 VAL HG2 . 11009 1 257 . 1 1 25 25 VAL HG23 H 1 0.89 0.02 . 1 . . . . 23 VAL HG2 . 11009 1 258 . 1 1 25 25 VAL C C 13 175.79 0.05 . 1 . . . . 23 VAL C . 11009 1 259 . 1 1 25 25 VAL CA C 13 60.41 0.05 . 1 . . . . 23 VAL CA . 11009 1 260 . 1 1 25 25 VAL CB C 13 33.71 0.05 . 1 . . . . 23 VAL CB . 11009 1 261 . 1 1 25 25 VAL CG1 C 13 20.86 0.05 . 1 . . . . 23 VAL CG1 . 11009 1 262 . 1 1 25 25 VAL CG2 C 13 20.69 0.05 . 1 . . . . 23 VAL CG2 . 11009 1 263 . 1 1 25 25 VAL N N 15 118.22 0.05 . 1 . . . . 23 VAL N . 11009 1 264 . 1 1 26 26 PHE H H 1 9.56 0.02 . 1 . . . . 24 PHE H . 11009 1 265 . 1 1 26 26 PHE HA H 1 5.65 0.02 . 1 . . . . 24 PHE HA . 11009 1 266 . 1 1 26 26 PHE HB2 H 1 2.76 0.02 . 2 . . . . 24 PHE HB2 . 11009 1 267 . 1 1 26 26 PHE HB3 H 1 2.69 0.02 . 2 . . . . 24 PHE HB3 . 11009 1 268 . 1 1 26 26 PHE HD1 H 1 7.03 0.02 . 1 . . . . 24 PHE HD1 . 11009 1 269 . 1 1 26 26 PHE HD2 H 1 7.03 0.02 . 1 . . . . 24 PHE HD2 . 11009 1 270 . 1 1 26 26 PHE HE1 H 1 7.11 0.02 . 1 . . . . 24 PHE HE1 . 11009 1 271 . 1 1 26 26 PHE HE2 H 1 7.11 0.02 . 1 . . . . 24 PHE HE2 . 11009 1 272 . 1 1 26 26 PHE C C 13 175.39 0.05 . 1 . . . . 24 PHE C . 11009 1 273 . 1 1 26 26 PHE CA C 13 56.05 0.05 . 1 . . . . 24 PHE CA . 11009 1 274 . 1 1 26 26 PHE CB C 13 43.31 0.05 . 1 . . . . 24 PHE CB . 11009 1 275 . 1 1 26 26 PHE N N 15 126.33 0.05 . 1 . . . . 24 PHE N . 11009 1 276 . 1 1 27 27 GLN H H 1 8.64 0.02 . 1 . . . . 25 GLN H . 11009 1 277 . 1 1 27 27 GLN HA H 1 5.70 0.02 . 1 . . . . 25 GLN HA . 11009 1 278 . 1 1 27 27 GLN HB2 H 1 1.92 0.02 . 1 . . . . 25 GLN HB2 . 11009 1 279 . 1 1 27 27 GLN HB3 H 1 1.92 0.02 . 1 . . . . 25 GLN HB3 . 11009 1 280 . 1 1 27 27 GLN HG2 H 1 2.28 0.02 . 1 . . . . 25 GLN HG2 . 11009 1 281 . 1 1 27 27 GLN HG3 H 1 2.28 0.02 . 1 . . . . 25 GLN HG3 . 11009 1 282 . 1 1 27 27 GLN HE21 H 1 7.18 0.02 . 1 . . . . 25 GLN HE21 . 11009 1 283 . 1 1 27 27 GLN HE22 H 1 6.56 0.02 . 1 . . . . 25 GLN HE22 . 11009 1 284 . 1 1 27 27 GLN C C 13 175.06 0.05 . 1 . . . . 25 GLN C . 11009 1 285 . 1 1 27 27 GLN CA C 13 54.22 0.05 . 1 . . . . 25 GLN CA . 11009 1 286 . 1 1 27 27 GLN CB C 13 32.35 0.05 . 1 . . . . 25 GLN CB . 11009 1 287 . 1 1 27 27 GLN CG C 13 34.42 0.05 . 1 . . . . 25 GLN CG . 11009 1 288 . 1 1 27 27 GLN N N 15 119.37 0.05 . 1 . . . . 25 GLN N . 11009 1 289 . 1 1 27 27 GLN NE2 N 15 111.27 0.05 . 1 . . . . 25 GLN NE2 . 11009 1 290 . 1 1 28 28 GLY H H 1 8.26 0.02 . 1 . . . . 26 GLY H . 11009 1 291 . 1 1 28 28 GLY HA2 H 1 4.00 0.02 . 1 . . . . 26 GLY HA2 . 11009 1 292 . 1 1 28 28 GLY HA3 H 1 4.32 0.02 . 1 . . . . 26 GLY HA3 . 11009 1 293 . 1 1 28 28 GLY C C 13 170.38 0.05 . 1 . . . . 26 GLY C . 11009 1 294 . 1 1 28 28 GLY CA C 13 45.95 0.05 . 1 . . . . 26 GLY CA . 11009 1 295 . 1 1 28 28 GLY N N 15 106.44 0.05 . 1 . . . . 26 GLY N . 11009 1 296 . 1 1 29 29 LEU H H 1 8.62 0.02 . 1 . . . . 27 LEU H . 11009 1 297 . 1 1 29 29 LEU HA H 1 5.16 0.02 . 1 . . . . 27 LEU HA . 11009 1 298 . 1 1 29 29 LEU HB3 H 1 1.46 0.02 . 2 . . . . 27 LEU HB3 . 11009 1 299 . 1 1 29 29 LEU HG H 1 1.48 0.02 . 1 . . . . 27 LEU HG . 11009 1 300 . 1 1 29 29 LEU HD11 H 1 0.73 0.02 . 2 . . . . 27 LEU HD1 . 11009 1 301 . 1 1 29 29 LEU HD12 H 1 0.73 0.02 . 2 . . . . 27 LEU HD1 . 11009 1 302 . 1 1 29 29 LEU HD13 H 1 0.73 0.02 . 2 . . . . 27 LEU HD1 . 11009 1 303 . 1 1 29 29 LEU HD21 H 1 0.80 0.02 . 2 . . . . 27 LEU HD2 . 11009 1 304 . 1 1 29 29 LEU HD22 H 1 0.80 0.02 . 2 . . . . 27 LEU HD2 . 11009 1 305 . 1 1 29 29 LEU HD23 H 1 0.80 0.02 . 2 . . . . 27 LEU HD2 . 11009 1 306 . 1 1 29 29 LEU C C 13 177.83 0.05 . 1 . . . . 27 LEU C . 11009 1 307 . 1 1 29 29 LEU CA C 13 52.75 0.05 . 1 . . . . 27 LEU CA . 11009 1 308 . 1 1 29 29 LEU CB C 13 43.84 0.05 . 1 . . . . 27 LEU CB . 11009 1 309 . 1 1 29 29 LEU CG C 13 27.20 0.05 . 1 . . . . 27 LEU CG . 11009 1 310 . 1 1 29 29 LEU CD1 C 13 23.60 0.05 . 2 . . . . 27 LEU CD1 . 11009 1 311 . 1 1 29 29 LEU CD2 C 13 25.27 0.05 . 2 . . . . 27 LEU CD2 . 11009 1 312 . 1 1 29 29 LEU N N 15 119.93 0.05 . 1 . . . . 27 LEU N . 11009 1 313 . 1 1 30 30 ILE H H 1 8.47 0.02 . 1 . . . . 28 ILE H . 11009 1 314 . 1 1 30 30 ILE HA H 1 3.95 0.02 . 1 . . . . 28 ILE HA . 11009 1 315 . 1 1 30 30 ILE HB H 1 2.33 0.02 . 1 . . . . 28 ILE HB . 11009 1 316 . 1 1 30 30 ILE HG12 H 1 1.86 0.02 . 1 . . . . 28 ILE HG12 . 11009 1 317 . 1 1 30 30 ILE HG13 H 1 0.88 0.02 . 1 . . . . 28 ILE HG13 . 11009 1 318 . 1 1 30 30 ILE HG21 H 1 0.74 0.02 . 1 . . . . 28 ILE HG2 . 11009 1 319 . 1 1 30 30 ILE HG22 H 1 0.74 0.02 . 1 . . . . 28 ILE HG2 . 11009 1 320 . 1 1 30 30 ILE HG23 H 1 0.74 0.02 . 1 . . . . 28 ILE HG2 . 11009 1 321 . 1 1 30 30 ILE HD11 H 1 0.86 0.02 . 1 . . . . 28 ILE HD1 . 11009 1 322 . 1 1 30 30 ILE HD12 H 1 0.86 0.02 . 1 . . . . 28 ILE HD1 . 11009 1 323 . 1 1 30 30 ILE HD13 H 1 0.86 0.02 . 1 . . . . 28 ILE HD1 . 11009 1 324 . 1 1 30 30 ILE C C 13 176.15 0.05 . 1 . . . . 28 ILE C . 11009 1 325 . 1 1 30 30 ILE CA C 13 63.60 0.05 . 1 . . . . 28 ILE CA . 11009 1 326 . 1 1 30 30 ILE CB C 13 36.80 0.05 . 1 . . . . 28 ILE CB . 11009 1 327 . 1 1 30 30 ILE CG1 C 13 28.57 0.05 . 1 . . . . 28 ILE CG1 . 11009 1 328 . 1 1 30 30 ILE CG2 C 13 18.10 0.05 . 1 . . . . 28 ILE CG2 . 11009 1 329 . 1 1 30 30 ILE CD1 C 13 13.84 0.05 . 1 . . . . 28 ILE CD1 . 11009 1 330 . 1 1 30 30 ILE N N 15 121.31 0.05 . 1 . . . . 28 ILE N . 11009 1 331 . 1 1 31 31 LYS H H 1 9.36 0.02 . 1 . . . . 29 LYS H . 11009 1 332 . 1 1 31 31 LYS HA H 1 4.45 0.02 . 1 . . . . 29 LYS HA . 11009 1 333 . 1 1 31 31 LYS HB2 H 1 1.69 0.02 . 2 . . . . 29 LYS HB2 . 11009 1 334 . 1 1 31 31 LYS HB3 H 1 1.39 0.02 . 2 . . . . 29 LYS HB3 . 11009 1 335 . 1 1 31 31 LYS HG2 H 1 1.40 0.02 . 2 . . . . 29 LYS HG2 . 11009 1 336 . 1 1 31 31 LYS HG3 H 1 1.22 0.02 . 2 . . . . 29 LYS HG3 . 11009 1 337 . 1 1 31 31 LYS HD2 H 1 1.56 0.02 . 2 . . . . 29 LYS HD2 . 11009 1 338 . 1 1 31 31 LYS HD3 H 1 1.39 0.02 . 2 . . . . 29 LYS HD3 . 11009 1 339 . 1 1 31 31 LYS HE2 H 1 2.87 0.02 . 2 . . . . 29 LYS HE2 . 11009 1 340 . 1 1 31 31 LYS HE3 H 1 2.83 0.02 . 2 . . . . 29 LYS HE3 . 11009 1 341 . 1 1 31 31 LYS C C 13 174.71 0.05 . 1 . . . . 29 LYS C . 11009 1 342 . 1 1 31 31 LYS CA C 13 56.53 0.05 . 1 . . . . 29 LYS CA . 11009 1 343 . 1 1 31 31 LYS CB C 13 35.55 0.05 . 1 . . . . 29 LYS CB . 11009 1 344 . 1 1 31 31 LYS CG C 13 25.07 0.05 . 1 . . . . 29 LYS CG . 11009 1 345 . 1 1 31 31 LYS CD C 13 29.62 0.05 . 1 . . . . 29 LYS CD . 11009 1 346 . 1 1 31 31 LYS CE C 13 41.89 0.05 . 1 . . . . 29 LYS CE . 11009 1 347 . 1 1 31 31 LYS N N 15 131.59 0.05 . 1 . . . . 29 LYS N . 11009 1 348 . 1 1 32 32 GLN H H 1 7.68 0.02 . 1 . . . . 30 GLN H . 11009 1 349 . 1 1 32 32 GLN HA H 1 4.51 0.02 . 1 . . . . 30 GLN HA . 11009 1 350 . 1 1 32 32 GLN HB2 H 1 1.90 0.02 . 1 . . . . 30 GLN HB2 . 11009 1 351 . 1 1 32 32 GLN HB3 H 1 1.90 0.02 . 1 . . . . 30 GLN HB3 . 11009 1 352 . 1 1 32 32 GLN HG2 H 1 2.27 0.02 . 1 . . . . 30 GLN HG2 . 11009 1 353 . 1 1 32 32 GLN HG3 H 1 2.27 0.02 . 1 . . . . 30 GLN HG3 . 11009 1 354 . 1 1 32 32 GLN HE21 H 1 7.34 0.02 . 1 . . . . 30 GLN HE21 . 11009 1 355 . 1 1 32 32 GLN HE22 H 1 6.65 0.02 . 1 . . . . 30 GLN HE22 . 11009 1 356 . 1 1 32 32 GLN C C 13 172.44 0.05 . 1 . . . . 30 GLN C . 11009 1 357 . 1 1 32 32 GLN CA C 13 54.97 0.05 . 1 . . . . 30 GLN CA . 11009 1 358 . 1 1 32 32 GLN CB C 13 32.15 0.05 . 1 . . . . 30 GLN CB . 11009 1 359 . 1 1 32 32 GLN CG C 13 33.56 0.05 . 1 . . . . 30 GLN CG . 11009 1 360 . 1 1 32 32 GLN N N 15 116.51 0.05 . 1 . . . . 30 GLN N . 11009 1 361 . 1 1 32 32 GLN NE2 N 15 110.48 0.05 . 1 . . . . 30 GLN NE2 . 11009 1 362 . 1 1 33 33 ILE H H 1 8.71 0.02 . 1 . . . . 31 ILE H . 11009 1 363 . 1 1 33 33 ILE HA H 1 4.59 0.02 . 1 . . . . 31 ILE HA . 11009 1 364 . 1 1 33 33 ILE HB H 1 1.55 0.02 . 1 . . . . 31 ILE HB . 11009 1 365 . 1 1 33 33 ILE HG12 H 1 1.41 0.02 . 2 . . . . 31 ILE HG12 . 11009 1 366 . 1 1 33 33 ILE HG13 H 1 0.83 0.02 . 2 . . . . 31 ILE HG13 . 11009 1 367 . 1 1 33 33 ILE HG21 H 1 0.75 0.02 . 1 . . . . 31 ILE HG2 . 11009 1 368 . 1 1 33 33 ILE HG22 H 1 0.75 0.02 . 1 . . . . 31 ILE HG2 . 11009 1 369 . 1 1 33 33 ILE HG23 H 1 0.75 0.02 . 1 . . . . 31 ILE HG2 . 11009 1 370 . 1 1 33 33 ILE HD11 H 1 0.65 0.02 . 1 . . . . 31 ILE HD1 . 11009 1 371 . 1 1 33 33 ILE HD12 H 1 0.65 0.02 . 1 . . . . 31 ILE HD1 . 11009 1 372 . 1 1 33 33 ILE HD13 H 1 0.65 0.02 . 1 . . . . 31 ILE HD1 . 11009 1 373 . 1 1 33 33 ILE C C 13 172.83 0.05 . 1 . . . . 31 ILE C . 11009 1 374 . 1 1 33 33 ILE CA C 13 61.10 0.05 . 1 . . . . 31 ILE CA . 11009 1 375 . 1 1 33 33 ILE CB C 13 41.54 0.05 . 1 . . . . 31 ILE CB . 11009 1 376 . 1 1 33 33 ILE CG1 C 13 28.35 0.05 . 1 . . . . 31 ILE CG1 . 11009 1 377 . 1 1 33 33 ILE CG2 C 13 16.19 0.05 . 1 . . . . 31 ILE CG2 . 11009 1 378 . 1 1 33 33 ILE CD1 C 13 14.70 0.05 . 1 . . . . 31 ILE CD1 . 11009 1 379 . 1 1 33 33 ILE N N 15 122.75 0.05 . 1 . . . . 31 ILE N . 11009 1 380 . 1 1 34 34 SER H H 1 8.62 0.02 . 1 . . . . 32 SER H . 11009 1 381 . 1 1 34 34 SER HA H 1 4.72 0.02 . 1 . . . . 32 SER HA . 11009 1 382 . 1 1 34 34 SER HB2 H 1 4.27 0.02 . 1 . . . . 32 SER HB2 . 11009 1 383 . 1 1 34 34 SER HB3 H 1 3.89 0.02 . 1 . . . . 32 SER HB3 . 11009 1 384 . 1 1 34 34 SER C C 13 172.75 0.05 . 1 . . . . 32 SER C . 11009 1 385 . 1 1 34 34 SER CA C 13 55.72 0.05 . 1 . . . . 32 SER CA . 11009 1 386 . 1 1 34 34 SER CB C 13 66.89 0.05 . 1 . . . . 32 SER CB . 11009 1 387 . 1 1 34 34 SER N N 15 123.55 0.05 . 1 . . . . 32 SER N . 11009 1 388 . 1 1 35 35 ALA H H 1 8.50 0.02 . 1 . . . . 33 ALA H . 11009 1 389 . 1 1 35 35 ALA HA H 1 4.02 0.02 . 1 . . . . 33 ALA HA . 11009 1 390 . 1 1 35 35 ALA HB1 H 1 1.37 0.02 . 1 . . . . 33 ALA HB . 11009 1 391 . 1 1 35 35 ALA HB2 H 1 1.37 0.02 . 1 . . . . 33 ALA HB . 11009 1 392 . 1 1 35 35 ALA HB3 H 1 1.37 0.02 . 1 . . . . 33 ALA HB . 11009 1 393 . 1 1 35 35 ALA C C 13 178.55 0.05 . 1 . . . . 33 ALA C . 11009 1 394 . 1 1 35 35 ALA CA C 13 54.43 0.05 . 1 . . . . 33 ALA CA . 11009 1 395 . 1 1 35 35 ALA CB C 13 18.23 0.05 . 1 . . . . 33 ALA CB . 11009 1 396 . 1 1 35 35 ALA N N 15 119.04 0.05 . 1 . . . . 33 ALA N . 11009 1 397 . 1 1 36 36 GLU H H 1 8.00 0.02 . 1 . . . . 34 GLU H . 11009 1 398 . 1 1 36 36 GLU HA H 1 4.32 0.02 . 1 . . . . 34 GLU HA . 11009 1 399 . 1 1 36 36 GLU HB2 H 1 1.99 0.02 . 2 . . . . 34 GLU HB2 . 11009 1 400 . 1 1 36 36 GLU HB3 H 1 1.86 0.02 . 2 . . . . 34 GLU HB3 . 11009 1 401 . 1 1 36 36 GLU HG2 H 1 2.19 0.02 . 2 . . . . 34 GLU HG2 . 11009 1 402 . 1 1 36 36 GLU HG3 H 1 2.13 0.02 . 2 . . . . 34 GLU HG3 . 11009 1 403 . 1 1 36 36 GLU C C 13 177.57 0.05 . 1 . . . . 34 GLU C . 11009 1 404 . 1 1 36 36 GLU CA C 13 57.19 0.05 . 1 . . . . 34 GLU CA . 11009 1 405 . 1 1 36 36 GLU CB C 13 32.11 0.05 . 1 . . . . 34 GLU CB . 11009 1 406 . 1 1 36 36 GLU CG C 13 36.33 0.05 . 1 . . . . 34 GLU CG . 11009 1 407 . 1 1 36 36 GLU N N 15 112.24 0.05 . 1 . . . . 34 GLU N . 11009 1 408 . 1 1 37 37 GLU H H 1 7.77 0.02 . 1 . . . . 35 GLU H . 11009 1 409 . 1 1 37 37 GLU HA H 1 5.16 0.02 . 1 . . . . 35 GLU HA . 11009 1 410 . 1 1 37 37 GLU HB2 H 1 1.59 0.02 . 1 . . . . 35 GLU HB2 . 11009 1 411 . 1 1 37 37 GLU HB3 H 1 1.85 0.02 . 1 . . . . 35 GLU HB3 . 11009 1 412 . 1 1 37 37 GLU HG2 H 1 1.89 0.02 . 1 . . . . 35 GLU HG2 . 11009 1 413 . 1 1 37 37 GLU HG3 H 1 1.89 0.02 . 1 . . . . 35 GLU HG3 . 11009 1 414 . 1 1 37 37 GLU C C 13 173.60 0.05 . 1 . . . . 35 GLU C . 11009 1 415 . 1 1 37 37 GLU CA C 13 55.22 0.05 . 1 . . . . 35 GLU CA . 11009 1 416 . 1 1 37 37 GLU CB C 13 33.68 0.05 . 1 . . . . 35 GLU CB . 11009 1 417 . 1 1 37 37 GLU CG C 13 35.38 0.05 . 1 . . . . 35 GLU CG . 11009 1 418 . 1 1 37 37 GLU N N 15 119.73 0.05 . 1 . . . . 35 GLU N . 11009 1 419 . 1 1 38 38 ILE H H 1 8.98 0.02 . 1 . . . . 36 ILE H . 11009 1 420 . 1 1 38 38 ILE HA H 1 4.53 0.02 . 1 . . . . 36 ILE HA . 11009 1 421 . 1 1 38 38 ILE HB H 1 1.45 0.02 . 1 . . . . 36 ILE HB . 11009 1 422 . 1 1 38 38 ILE HG12 H 1 1.56 0.02 . 2 . . . . 36 ILE HG12 . 11009 1 423 . 1 1 38 38 ILE HG13 H 1 0.93 0.02 . 2 . . . . 36 ILE HG13 . 11009 1 424 . 1 1 38 38 ILE HG21 H 1 0.72 0.02 . 1 . . . . 36 ILE HG2 . 11009 1 425 . 1 1 38 38 ILE HG22 H 1 0.72 0.02 . 1 . . . . 36 ILE HG2 . 11009 1 426 . 1 1 38 38 ILE HG23 H 1 0.72 0.02 . 1 . . . . 36 ILE HG2 . 11009 1 427 . 1 1 38 38 ILE HD11 H 1 0.61 0.02 . 1 . . . . 36 ILE HD1 . 11009 1 428 . 1 1 38 38 ILE HD12 H 1 0.61 0.02 . 1 . . . . 36 ILE HD1 . 11009 1 429 . 1 1 38 38 ILE HD13 H 1 0.61 0.02 . 1 . . . . 36 ILE HD1 . 11009 1 430 . 1 1 38 38 ILE C C 13 173.72 0.05 . 1 . . . . 36 ILE C . 11009 1 431 . 1 1 38 38 ILE CA C 13 59.87 0.05 . 1 . . . . 36 ILE CA . 11009 1 432 . 1 1 38 38 ILE CB C 13 41.66 0.05 . 1 . . . . 36 ILE CB . 11009 1 433 . 1 1 38 38 ILE CG1 C 13 28.18 0.05 . 1 . . . . 36 ILE CG1 . 11009 1 434 . 1 1 38 38 ILE CG2 C 13 17.24 0.05 . 1 . . . . 36 ILE CG2 . 11009 1 435 . 1 1 38 38 ILE CD1 C 13 13.68 0.05 . 1 . . . . 36 ILE CD1 . 11009 1 436 . 1 1 38 38 ILE N N 15 121.16 0.05 . 1 . . . . 36 ILE N . 11009 1 437 . 1 1 39 39 THR H H 1 8.63 0.02 . 1 . . . . 37 THR H . 11009 1 438 . 1 1 39 39 THR HA H 1 5.23 0.02 . 1 . . . . 37 THR HA . 11009 1 439 . 1 1 39 39 THR HB H 1 3.82 0.02 . 1 . . . . 37 THR HB . 11009 1 440 . 1 1 39 39 THR HG21 H 1 0.96 0.02 . 1 . . . . 37 THR HG2 . 11009 1 441 . 1 1 39 39 THR HG22 H 1 0.96 0.02 . 1 . . . . 37 THR HG2 . 11009 1 442 . 1 1 39 39 THR HG23 H 1 0.96 0.02 . 1 . . . . 37 THR HG2 . 11009 1 443 . 1 1 39 39 THR C C 13 174.77 0.05 . 1 . . . . 37 THR C . 11009 1 444 . 1 1 39 39 THR CA C 13 61.44 0.05 . 1 . . . . 37 THR CA . 11009 1 445 . 1 1 39 39 THR CB C 13 69.72 0.05 . 1 . . . . 37 THR CB . 11009 1 446 . 1 1 39 39 THR CG2 C 13 21.35 0.05 . 1 . . . . 37 THR CG2 . 11009 1 447 . 1 1 39 39 THR N N 15 121.94 0.05 . 1 . . . . 37 THR N . 11009 1 448 . 1 1 40 40 ILE H H 1 9.15 0.02 . 1 . . . . 38 ILE H . 11009 1 449 . 1 1 40 40 ILE HA H 1 5.44 0.02 . 1 . . . . 38 ILE HA . 11009 1 450 . 1 1 40 40 ILE HB H 1 1.62 0.02 . 1 . . . . 38 ILE HB . 11009 1 451 . 1 1 40 40 ILE HG12 H 1 1.41 0.02 . 2 . . . . 38 ILE HG12 . 11009 1 452 . 1 1 40 40 ILE HG13 H 1 0.89 0.02 . 2 . . . . 38 ILE HG13 . 11009 1 453 . 1 1 40 40 ILE HG21 H 1 0.56 0.02 . 1 . . . . 38 ILE HG2 . 11009 1 454 . 1 1 40 40 ILE HG22 H 1 0.56 0.02 . 1 . . . . 38 ILE HG2 . 11009 1 455 . 1 1 40 40 ILE HG23 H 1 0.56 0.02 . 1 . . . . 38 ILE HG2 . 11009 1 456 . 1 1 40 40 ILE HD11 H 1 0.56 0.02 . 1 . . . . 38 ILE HD1 . 11009 1 457 . 1 1 40 40 ILE HD12 H 1 0.56 0.02 . 1 . . . . 38 ILE HD1 . 11009 1 458 . 1 1 40 40 ILE HD13 H 1 0.56 0.02 . 1 . . . . 38 ILE HD1 . 11009 1 459 . 1 1 40 40 ILE C C 13 174.14 0.05 . 1 . . . . 38 ILE C . 11009 1 460 . 1 1 40 40 ILE CA C 13 58.44 0.05 . 1 . . . . 38 ILE CA . 11009 1 461 . 1 1 40 40 ILE CB C 13 41.64 0.05 . 1 . . . . 38 ILE CB . 11009 1 462 . 1 1 40 40 ILE CG1 C 13 25.98 0.05 . 1 . . . . 38 ILE CG1 . 11009 1 463 . 1 1 40 40 ILE CG2 C 13 17.58 0.05 . 1 . . . . 38 ILE CG2 . 11009 1 464 . 1 1 40 40 ILE CD1 C 13 13.39 0.05 . 1 . . . . 38 ILE CD1 . 11009 1 465 . 1 1 40 40 ILE N N 15 122.03 0.05 . 1 . . . . 38 ILE N . 11009 1 466 . 1 1 41 41 VAL H H 1 8.85 0.02 . 1 . . . . 39 VAL H . 11009 1 467 . 1 1 41 41 VAL HA H 1 5.06 0.02 . 1 . . . . 39 VAL HA . 11009 1 468 . 1 1 41 41 VAL HB H 1 2.29 0.02 . 1 . . . . 39 VAL HB . 11009 1 469 . 1 1 41 41 VAL HG11 H 1 0.87 0.02 . 1 . . . . 39 VAL HG1 . 11009 1 470 . 1 1 41 41 VAL HG12 H 1 0.87 0.02 . 1 . . . . 39 VAL HG1 . 11009 1 471 . 1 1 41 41 VAL HG13 H 1 0.87 0.02 . 1 . . . . 39 VAL HG1 . 11009 1 472 . 1 1 41 41 VAL HG21 H 1 0.85 0.02 . 1 . . . . 39 VAL HG2 . 11009 1 473 . 1 1 41 41 VAL HG22 H 1 0.85 0.02 . 1 . . . . 39 VAL HG2 . 11009 1 474 . 1 1 41 41 VAL HG23 H 1 0.85 0.02 . 1 . . . . 39 VAL HG2 . 11009 1 475 . 1 1 41 41 VAL C C 13 175.25 0.05 . 1 . . . . 39 VAL C . 11009 1 476 . 1 1 41 41 VAL CA C 13 59.04 0.05 . 1 . . . . 39 VAL CA . 11009 1 477 . 1 1 41 41 VAL CB C 13 34.87 0.05 . 1 . . . . 39 VAL CB . 11009 1 478 . 1 1 41 41 VAL CG1 C 13 22.62 0.05 . 1 . . . . 39 VAL CG1 . 11009 1 479 . 1 1 41 41 VAL CG2 C 13 18.74 0.05 . 1 . . . . 39 VAL CG2 . 11009 1 480 . 1 1 41 41 VAL N N 15 113.07 0.05 . 1 . . . . 39 VAL N . 11009 1 481 . 1 1 42 42 ARG H H 1 8.44 0.02 . 1 . . . . 40 ARG H . 11009 1 482 . 1 1 42 42 ARG HA H 1 3.82 0.02 . 1 . . . . 40 ARG HA . 11009 1 483 . 1 1 42 42 ARG HG2 H 1 1.66 0.02 . 1 . . . . 40 ARG HG2 . 11009 1 484 . 1 1 42 42 ARG HG3 H 1 1.66 0.02 . 1 . . . . 40 ARG HG3 . 11009 1 485 . 1 1 42 42 ARG HD2 H 1 3.17 0.02 . 1 . . . . 40 ARG HD2 . 11009 1 486 . 1 1 42 42 ARG HD3 H 1 3.17 0.02 . 1 . . . . 40 ARG HD3 . 11009 1 487 . 1 1 42 42 ARG C C 13 176.20 0.05 . 1 . . . . 40 ARG C . 11009 1 488 . 1 1 42 42 ARG CA C 13 56.72 0.05 . 1 . . . . 40 ARG CA . 11009 1 489 . 1 1 42 42 ARG CB C 13 28.05 0.05 . 1 . . . . 40 ARG CB . 11009 1 490 . 1 1 42 42 ARG CG C 13 28.00 0.05 . 1 . . . . 40 ARG CG . 11009 1 491 . 1 1 42 42 ARG CD C 13 44.09 0.05 . 1 . . . . 40 ARG CD . 11009 1 492 . 1 1 42 42 ARG N N 15 120.22 0.05 . 1 . . . . 40 ARG N . 11009 1 493 . 1 1 43 43 ALA H H 1 8.17 0.02 . 1 . . . . 41 ALA H . 11009 1 494 . 1 1 43 43 ALA HA H 1 5.26 0.02 . 1 . . . . 41 ALA HA . 11009 1 495 . 1 1 43 43 ALA HB1 H 1 1.27 0.02 . 1 . . . . 41 ALA HB . 11009 1 496 . 1 1 43 43 ALA HB2 H 1 1.27 0.02 . 1 . . . . 41 ALA HB . 11009 1 497 . 1 1 43 43 ALA HB3 H 1 1.27 0.02 . 1 . . . . 41 ALA HB . 11009 1 498 . 1 1 43 43 ALA C C 13 178.04 0.05 . 1 . . . . 41 ALA C . 11009 1 499 . 1 1 43 43 ALA CA C 13 52.85 0.05 . 1 . . . . 41 ALA CA . 11009 1 500 . 1 1 43 43 ALA CB C 13 21.63 0.05 . 1 . . . . 41 ALA CB . 11009 1 501 . 1 1 43 43 ALA N N 15 116.89 0.05 . 1 . . . . 41 ALA N . 11009 1 502 . 1 1 44 44 PHE H H 1 9.46 0.02 . 1 . . . . 42 PHE H . 11009 1 503 . 1 1 44 44 PHE HA H 1 5.02 0.02 . 1 . . . . 42 PHE HA . 11009 1 504 . 1 1 44 44 PHE HB2 H 1 3.01 0.02 . 1 . . . . 42 PHE HB2 . 11009 1 505 . 1 1 44 44 PHE HB3 H 1 2.36 0.02 . 1 . . . . 42 PHE HB3 . 11009 1 506 . 1 1 44 44 PHE HD1 H 1 7.02 0.02 . 1 . . . . 42 PHE HD1 . 11009 1 507 . 1 1 44 44 PHE HD2 H 1 7.02 0.02 . 1 . . . . 42 PHE HD2 . 11009 1 508 . 1 1 44 44 PHE HE1 H 1 7.24 0.02 . 1 . . . . 42 PHE HE1 . 11009 1 509 . 1 1 44 44 PHE HE2 H 1 7.24 0.02 . 1 . . . . 42 PHE HE2 . 11009 1 510 . 1 1 44 44 PHE C C 13 174.92 0.05 . 1 . . . . 42 PHE C . 11009 1 511 . 1 1 44 44 PHE CA C 13 55.86 0.05 . 1 . . . . 42 PHE CA . 11009 1 512 . 1 1 44 44 PHE CB C 13 42.77 0.05 . 1 . . . . 42 PHE CB . 11009 1 513 . 1 1 44 44 PHE N N 15 121.12 0.05 . 1 . . . . 42 PHE N . 11009 1 514 . 1 1 45 45 ARG H H 1 8.66 0.02 . 1 . . . . 43 ARG H . 11009 1 515 . 1 1 45 45 ARG HA H 1 4.57 0.02 . 1 . . . . 43 ARG HA . 11009 1 516 . 1 1 45 45 ARG N N 15 119.98 0.05 . 1 . . . . 43 ARG N . 11009 1 517 . 1 1 46 46 ASN H H 1 9.79 0.02 . 1 . . . . 44 ASN H . 11009 1 518 . 1 1 46 46 ASN HA H 1 4.29 0.02 . 1 . . . . 44 ASN HA . 11009 1 519 . 1 1 46 46 ASN HB2 H 1 2.79 0.02 . 1 . . . . 44 ASN HB2 . 11009 1 520 . 1 1 46 46 ASN HB3 H 1 2.95 0.02 . 1 . . . . 44 ASN HB3 . 11009 1 521 . 1 1 46 46 ASN HD21 H 1 7.50 0.02 . 1 . . . . 44 ASN HD21 . 11009 1 522 . 1 1 46 46 ASN HD22 H 1 6.90 0.02 . 1 . . . . 44 ASN HD22 . 11009 1 523 . 1 1 46 46 ASN C C 13 175.25 0.05 . 1 . . . . 44 ASN C . 11009 1 524 . 1 1 46 46 ASN CA C 13 53.88 0.05 . 1 . . . . 44 ASN CA . 11009 1 525 . 1 1 46 46 ASN CB C 13 36.52 0.05 . 1 . . . . 44 ASN CB . 11009 1 526 . 1 1 46 46 ASN N N 15 128.96 0.05 . 1 . . . . 44 ASN N . 11009 1 527 . 1 1 46 46 ASN ND2 N 15 112.63 0.05 . 1 . . . . 44 ASN ND2 . 11009 1 528 . 1 1 47 47 GLY H H 1 9.06 0.02 . 1 . . . . 45 GLY H . 11009 1 529 . 1 1 47 47 GLY HA2 H 1 4.13 0.02 . 1 . . . . 45 GLY HA2 . 11009 1 530 . 1 1 47 47 GLY HA3 H 1 3.57 0.02 . 1 . . . . 45 GLY HA3 . 11009 1 531 . 1 1 47 47 GLY C C 13 173.77 0.05 . 1 . . . . 45 GLY C . 11009 1 532 . 1 1 47 47 GLY CA C 13 45.13 0.05 . 1 . . . . 45 GLY CA . 11009 1 533 . 1 1 47 47 GLY N N 15 102.66 0.05 . 1 . . . . 45 GLY N . 11009 1 534 . 1 1 48 48 VAL H H 1 7.84 0.02 . 1 . . . . 46 VAL H . 11009 1 535 . 1 1 48 48 VAL HA H 1 4.60 0.02 . 1 . . . . 46 VAL HA . 11009 1 536 . 1 1 48 48 VAL HB H 1 2.12 0.02 . 1 . . . . 46 VAL HB . 11009 1 537 . 1 1 48 48 VAL HG11 H 1 0.94 0.02 . 1 . . . . 46 VAL HG1 . 11009 1 538 . 1 1 48 48 VAL HG12 H 1 0.94 0.02 . 1 . . . . 46 VAL HG1 . 11009 1 539 . 1 1 48 48 VAL HG13 H 1 0.94 0.02 . 1 . . . . 46 VAL HG1 . 11009 1 540 . 1 1 48 48 VAL HG21 H 1 0.89 0.02 . 1 . . . . 46 VAL HG2 . 11009 1 541 . 1 1 48 48 VAL HG22 H 1 0.89 0.02 . 1 . . . . 46 VAL HG2 . 11009 1 542 . 1 1 48 48 VAL HG23 H 1 0.89 0.02 . 1 . . . . 46 VAL HG2 . 11009 1 543 . 1 1 48 48 VAL C C 13 173.82 0.05 . 1 . . . . 46 VAL C . 11009 1 544 . 1 1 48 48 VAL CA C 13 58.96 0.05 . 1 . . . . 46 VAL CA . 11009 1 545 . 1 1 48 48 VAL CB C 13 34.04 0.05 . 1 . . . . 46 VAL CB . 11009 1 546 . 1 1 48 48 VAL CG1 C 13 20.55 0.05 . 1 . . . . 46 VAL CG1 . 11009 1 547 . 1 1 48 48 VAL CG2 C 13 20.56 0.05 . 1 . . . . 46 VAL CG2 . 11009 1 548 . 1 1 48 48 VAL N N 15 122.47 0.05 . 1 . . . . 46 VAL N . 11009 1 549 . 1 1 49 49 PRO HA H 1 3.72 0.02 . 1 . . . . 47 PRO HA . 11009 1 550 . 1 1 49 49 PRO HB2 H 1 2.11 0.02 . 2 . . . . 47 PRO HB2 . 11009 1 551 . 1 1 49 49 PRO HB3 H 1 1.65 0.02 . 2 . . . . 47 PRO HB3 . 11009 1 552 . 1 1 49 49 PRO HD2 H 1 3.56 0.02 . 1 . . . . 47 PRO HD2 . 11009 1 553 . 1 1 49 49 PRO HD3 H 1 3.73 0.02 . 1 . . . . 47 PRO HD3 . 11009 1 554 . 1 1 49 49 PRO CA C 13 62.69 0.05 . 1 . . . . 47 PRO CA . 11009 1 555 . 1 1 49 49 PRO CB C 13 31.06 0.05 . 1 . . . . 47 PRO CB . 11009 1 556 . 1 1 49 49 PRO CG C 13 27.22 0.05 . 1 . . . . 47 PRO CG . 11009 1 557 . 1 1 49 49 PRO CD C 13 50.33 0.05 . 1 . . . . 47 PRO CD . 11009 1 558 . 1 1 50 50 LEU H H 1 8.01 0.02 . 1 . . . . 48 LEU H . 11009 1 559 . 1 1 50 50 LEU HA H 1 4.23 0.02 . 1 . . . . 48 LEU HA . 11009 1 560 . 1 1 50 50 LEU HB2 H 1 1.43 0.02 . 1 . . . . 48 LEU HB2 . 11009 1 561 . 1 1 50 50 LEU HB3 H 1 1.43 0.02 . 1 . . . . 48 LEU HB3 . 11009 1 562 . 1 1 50 50 LEU HG H 1 1.56 0.02 . 1 . . . . 48 LEU HG . 11009 1 563 . 1 1 50 50 LEU HD11 H 1 0.82 0.02 . 2 . . . . 48 LEU HD1 . 11009 1 564 . 1 1 50 50 LEU HD12 H 1 0.82 0.02 . 2 . . . . 48 LEU HD1 . 11009 1 565 . 1 1 50 50 LEU HD13 H 1 0.82 0.02 . 2 . . . . 48 LEU HD1 . 11009 1 566 . 1 1 50 50 LEU HD21 H 1 0.84 0.02 . 2 . . . . 48 LEU HD2 . 11009 1 567 . 1 1 50 50 LEU HD22 H 1 0.84 0.02 . 2 . . . . 48 LEU HD2 . 11009 1 568 . 1 1 50 50 LEU HD23 H 1 0.84 0.02 . 2 . . . . 48 LEU HD2 . 11009 1 569 . 1 1 50 50 LEU C C 13 178.92 0.05 . 1 . . . . 48 LEU C . 11009 1 570 . 1 1 50 50 LEU CA C 13 55.17 0.05 . 1 . . . . 48 LEU CA . 11009 1 571 . 1 1 50 50 LEU CB C 13 41.49 0.05 . 1 . . . . 48 LEU CB . 11009 1 572 . 1 1 50 50 LEU CG C 13 28.30 0.05 . 1 . . . . 48 LEU CG . 11009 1 573 . 1 1 50 50 LEU CD1 C 13 23.29 0.05 . 2 . . . . 48 LEU CD1 . 11009 1 574 . 1 1 50 50 LEU CD2 C 13 25.22 0.05 . 2 . . . . 48 LEU CD2 . 11009 1 575 . 1 1 50 50 LEU N N 15 124.38 0.05 . 1 . . . . 48 LEU N . 11009 1 576 . 1 1 53 53 GLN HA H 1 4.10 0.02 . 1 . . . . 51 GLN HA . 11009 1 577 . 1 1 53 53 GLN HB2 H 1 2.07 0.02 . 2 . . . . 51 GLN HB2 . 11009 1 578 . 1 1 53 53 GLN HB3 H 1 2.02 0.02 . 2 . . . . 51 GLN HB3 . 11009 1 579 . 1 1 53 53 GLN HG2 H 1 2.34 0.02 . 1 . . . . 51 GLN HG2 . 11009 1 580 . 1 1 53 53 GLN HG3 H 1 2.34 0.02 . 1 . . . . 51 GLN HG3 . 11009 1 581 . 1 1 53 53 GLN CA C 13 57.71 0.05 . 1 . . . . 51 GLN CA . 11009 1 582 . 1 1 53 53 GLN CB C 13 28.32 0.05 . 1 . . . . 51 GLN CB . 11009 1 583 . 1 1 53 53 GLN CG C 13 34.04 0.05 . 1 . . . . 51 GLN CG . 11009 1 584 . 1 1 54 54 ASN C C 13 174.21 0.05 . 1 . . . . 52 ASN C . 11009 1 585 . 1 1 54 54 ASN CB C 13 38.74 0.05 . 1 . . . . 52 ASN CB . 11009 1 586 . 1 1 55 55 ALA H H 1 7.47 0.02 . 1 . . . . 53 ALA H . 11009 1 587 . 1 1 55 55 ALA HA H 1 4.07 0.02 . 1 . . . . 53 ALA HA . 11009 1 588 . 1 1 55 55 ALA HB1 H 1 1.40 0.02 . 1 . . . . 53 ALA HB . 11009 1 589 . 1 1 55 55 ALA HB2 H 1 1.40 0.02 . 1 . . . . 53 ALA HB . 11009 1 590 . 1 1 55 55 ALA HB3 H 1 1.40 0.02 . 1 . . . . 53 ALA HB . 11009 1 591 . 1 1 55 55 ALA C C 13 175.58 0.05 . 1 . . . . 53 ALA C . 11009 1 592 . 1 1 55 55 ALA CA C 13 52.86 0.05 . 1 . . . . 53 ALA CA . 11009 1 593 . 1 1 55 55 ALA CB C 13 19.30 0.05 . 1 . . . . 53 ALA CB . 11009 1 594 . 1 1 55 55 ALA N N 15 121.24 0.05 . 1 . . . . 53 ALA N . 11009 1 595 . 1 1 56 56 GLU H H 1 7.71 0.02 . 1 . . . . 54 GLU H . 11009 1 596 . 1 1 56 56 GLU HA H 1 5.01 0.02 . 1 . . . . 54 GLU HA . 11009 1 597 . 1 1 56 56 GLU HB2 H 1 1.74 0.02 . 1 . . . . 54 GLU HB2 . 11009 1 598 . 1 1 56 56 GLU HB3 H 1 1.82 0.02 . 1 . . . . 54 GLU HB3 . 11009 1 599 . 1 1 56 56 GLU HG2 H 1 2.11 0.02 . 2 . . . . 54 GLU HG2 . 11009 1 600 . 1 1 56 56 GLU HG3 H 1 1.84 0.02 . 2 . . . . 54 GLU HG3 . 11009 1 601 . 1 1 56 56 GLU C C 13 176.07 0.05 . 1 . . . . 54 GLU C . 11009 1 602 . 1 1 56 56 GLU CA C 13 54.82 0.05 . 1 . . . . 54 GLU CA . 11009 1 603 . 1 1 56 56 GLU CB C 13 31.07 0.05 . 1 . . . . 54 GLU CB . 11009 1 604 . 1 1 56 56 GLU CG C 13 36.48 0.05 . 1 . . . . 54 GLU CG . 11009 1 605 . 1 1 56 56 GLU N N 15 118.61 0.05 . 1 . . . . 54 GLU N . 11009 1 606 . 1 1 57 57 VAL H H 1 8.85 0.02 . 1 . . . . 55 VAL H . 11009 1 607 . 1 1 57 57 VAL HA H 1 4.07 0.02 . 1 . . . . 55 VAL HA . 11009 1 608 . 1 1 57 57 VAL HB H 1 1.58 0.02 . 1 . . . . 55 VAL HB . 11009 1 609 . 1 1 57 57 VAL HG11 H 1 0.43 0.02 . 1 . . . . 55 VAL HG1 . 11009 1 610 . 1 1 57 57 VAL HG12 H 1 0.43 0.02 . 1 . . . . 55 VAL HG1 . 11009 1 611 . 1 1 57 57 VAL HG13 H 1 0.43 0.02 . 1 . . . . 55 VAL HG1 . 11009 1 612 . 1 1 57 57 VAL HG21 H 1 0.72 0.02 . 1 . . . . 55 VAL HG2 . 11009 1 613 . 1 1 57 57 VAL HG22 H 1 0.72 0.02 . 1 . . . . 55 VAL HG2 . 11009 1 614 . 1 1 57 57 VAL HG23 H 1 0.72 0.02 . 1 . . . . 55 VAL HG2 . 11009 1 615 . 1 1 57 57 VAL C C 13 173.11 0.05 . 1 . . . . 55 VAL C . 11009 1 616 . 1 1 57 57 VAL CA C 13 61.46 0.05 . 1 . . . . 55 VAL CA . 11009 1 617 . 1 1 57 57 VAL CB C 13 34.61 0.05 . 1 . . . . 55 VAL CB . 11009 1 618 . 1 1 57 57 VAL CG1 C 13 20.40 0.05 . 1 . . . . 55 VAL CG1 . 11009 1 619 . 1 1 57 57 VAL CG2 C 13 21.57 0.05 . 1 . . . . 55 VAL CG2 . 11009 1 620 . 1 1 57 57 VAL N N 15 125.52 0.05 . 1 . . . . 55 VAL N . 11009 1 621 . 1 1 58 58 VAL H H 1 8.19 0.02 . 1 . . . . 56 VAL H . 11009 1 622 . 1 1 58 58 VAL HA H 1 4.50 0.02 . 1 . . . . 56 VAL HA . 11009 1 623 . 1 1 58 58 VAL HB H 1 1.75 0.02 . 1 . . . . 56 VAL HB . 11009 1 624 . 1 1 58 58 VAL HG11 H 1 0.57 0.02 . 1 . . . . 56 VAL HG1 . 11009 1 625 . 1 1 58 58 VAL HG12 H 1 0.57 0.02 . 1 . . . . 56 VAL HG1 . 11009 1 626 . 1 1 58 58 VAL HG13 H 1 0.57 0.02 . 1 . . . . 56 VAL HG1 . 11009 1 627 . 1 1 58 58 VAL HG21 H 1 0.82 0.02 . 1 . . . . 56 VAL HG2 . 11009 1 628 . 1 1 58 58 VAL HG22 H 1 0.82 0.02 . 1 . . . . 56 VAL HG2 . 11009 1 629 . 1 1 58 58 VAL HG23 H 1 0.82 0.02 . 1 . . . . 56 VAL HG2 . 11009 1 630 . 1 1 58 58 VAL C C 13 175.59 0.05 . 1 . . . . 56 VAL C . 11009 1 631 . 1 1 58 58 VAL CA C 13 61.20 0.05 . 1 . . . . 56 VAL CA . 11009 1 632 . 1 1 58 58 VAL CB C 13 32.52 0.05 . 1 . . . . 56 VAL CB . 11009 1 633 . 1 1 58 58 VAL CG1 C 13 20.96 0.05 . 1 . . . . 56 VAL CG1 . 11009 1 634 . 1 1 58 58 VAL CG2 C 13 20.74 0.05 . 1 . . . . 56 VAL CG2 . 11009 1 635 . 1 1 58 58 VAL N N 15 127.34 0.05 . 1 . . . . 56 VAL N . 11009 1 636 . 1 1 59 59 LEU H H 1 9.03 0.02 . 1 . . . . 57 LEU H . 11009 1 637 . 1 1 59 59 LEU HA H 1 4.55 0.02 . 1 . . . . 57 LEU HA . 11009 1 638 . 1 1 59 59 LEU HB2 H 1 1.39 0.02 . 1 . . . . 57 LEU HB2 . 11009 1 639 . 1 1 59 59 LEU HB3 H 1 0.96 0.02 . 1 . . . . 57 LEU HB3 . 11009 1 640 . 1 1 59 59 LEU HG H 1 0.99 0.02 . 1 . . . . 57 LEU HG . 11009 1 641 . 1 1 59 59 LEU HD11 H 1 0.75 0.02 . 1 . . . . 57 LEU HD1 . 11009 1 642 . 1 1 59 59 LEU HD12 H 1 0.75 0.02 . 1 . . . . 57 LEU HD1 . 11009 1 643 . 1 1 59 59 LEU HD13 H 1 0.75 0.02 . 1 . . . . 57 LEU HD1 . 11009 1 644 . 1 1 59 59 LEU HD21 H 1 0.20 0.02 . 1 . . . . 57 LEU HD2 . 11009 1 645 . 1 1 59 59 LEU HD22 H 1 0.20 0.02 . 1 . . . . 57 LEU HD2 . 11009 1 646 . 1 1 59 59 LEU HD23 H 1 0.20 0.02 . 1 . . . . 57 LEU HD2 . 11009 1 647 . 1 1 59 59 LEU C C 13 175.85 0.05 . 1 . . . . 57 LEU C . 11009 1 648 . 1 1 59 59 LEU CA C 13 52.39 0.05 . 1 . . . . 57 LEU CA . 11009 1 649 . 1 1 59 59 LEU CB C 13 43.98 0.05 . 1 . . . . 57 LEU CB . 11009 1 650 . 1 1 59 59 LEU CG C 13 26.83 0.05 . 1 . . . . 57 LEU CG . 11009 1 651 . 1 1 59 59 LEU CD1 C 13 22.86 0.05 . 1 . . . . 57 LEU CD1 . 11009 1 652 . 1 1 59 59 LEU CD2 C 13 25.89 0.05 . 1 . . . . 57 LEU CD2 . 11009 1 653 . 1 1 59 59 LEU N N 15 129.28 0.05 . 1 . . . . 57 LEU N . 11009 1 654 . 1 1 60 60 LYS H H 1 9.11 0.02 . 1 . . . . 58 LYS H . 11009 1 655 . 1 1 60 60 LYS HA H 1 4.48 0.02 . 1 . . . . 58 LYS HA . 11009 1 656 . 1 1 60 60 LYS HB2 H 1 1.81 0.02 . 1 . . . . 58 LYS HB2 . 11009 1 657 . 1 1 60 60 LYS HB3 H 1 1.81 0.02 . 1 . . . . 58 LYS HB3 . 11009 1 658 . 1 1 60 60 LYS HG2 H 1 1.53 0.02 . 1 . . . . 58 LYS HG2 . 11009 1 659 . 1 1 60 60 LYS HG3 H 1 1.53 0.02 . 1 . . . . 58 LYS HG3 . 11009 1 660 . 1 1 60 60 LYS HD2 H 1 1.59 0.02 . 1 . . . . 58 LYS HD2 . 11009 1 661 . 1 1 60 60 LYS HD3 H 1 1.59 0.02 . 1 . . . . 58 LYS HD3 . 11009 1 662 . 1 1 60 60 LYS HE2 H 1 2.90 0.02 . 1 . . . . 58 LYS HE2 . 11009 1 663 . 1 1 60 60 LYS HE3 H 1 2.90 0.02 . 1 . . . . 58 LYS HE3 . 11009 1 664 . 1 1 60 60 LYS C C 13 179.16 0.05 . 1 . . . . 58 LYS C . 11009 1 665 . 1 1 60 60 LYS CA C 13 55.08 0.05 . 1 . . . . 58 LYS CA . 11009 1 666 . 1 1 60 60 LYS CB C 13 32.22 0.05 . 1 . . . . 58 LYS CB . 11009 1 667 . 1 1 60 60 LYS CG C 13 24.73 0.05 . 1 . . . . 58 LYS CG . 11009 1 668 . 1 1 60 60 LYS CD C 13 28.58 0.05 . 1 . . . . 58 LYS CD . 11009 1 669 . 1 1 60 60 LYS CE C 13 41.88 0.05 . 1 . . . . 58 LYS CE . 11009 1 670 . 1 1 60 60 LYS N N 15 121.97 0.05 . 1 . . . . 58 LYS N . 11009 1 671 . 1 1 61 61 CYS H H 1 8.48 0.02 . 1 . . . . 59 CYS H . 11009 1 672 . 1 1 61 61 CYS HA H 1 3.77 0.02 . 1 . . . . 59 CYS HA . 11009 1 673 . 1 1 61 61 CYS HB2 H 1 2.99 0.02 . 1 . . . . 59 CYS HB2 . 11009 1 674 . 1 1 61 61 CYS HB3 H 1 2.69 0.02 . 1 . . . . 59 CYS HB3 . 11009 1 675 . 1 1 61 61 CYS C C 13 176.90 0.05 . 1 . . . . 59 CYS C . 11009 1 676 . 1 1 61 61 CYS CA C 13 62.01 0.05 . 1 . . . . 59 CYS CA . 11009 1 677 . 1 1 61 61 CYS CB C 13 26.14 0.05 . 1 . . . . 59 CYS CB . 11009 1 678 . 1 1 61 61 CYS N N 15 122.51 0.05 . 1 . . . . 59 CYS N . 11009 1 679 . 1 1 62 62 THR H H 1 7.83 0.02 . 1 . . . . 60 THR H . 11009 1 680 . 1 1 62 62 THR HA H 1 4.02 0.02 . 1 . . . . 60 THR HA . 11009 1 681 . 1 1 62 62 THR HB H 1 4.24 0.02 . 1 . . . . 60 THR HB . 11009 1 682 . 1 1 62 62 THR HG21 H 1 1.22 0.02 . 1 . . . . 60 THR HG2 . 11009 1 683 . 1 1 62 62 THR HG22 H 1 1.22 0.02 . 1 . . . . 60 THR HG2 . 11009 1 684 . 1 1 62 62 THR HG23 H 1 1.22 0.02 . 1 . . . . 60 THR HG2 . 11009 1 685 . 1 1 62 62 THR C C 13 175.29 0.05 . 1 . . . . 60 THR C . 11009 1 686 . 1 1 62 62 THR CA C 13 63.85 0.05 . 1 . . . . 60 THR CA . 11009 1 687 . 1 1 62 62 THR CB C 13 68.33 0.05 . 1 . . . . 60 THR CB . 11009 1 688 . 1 1 62 62 THR CG2 C 13 22.05 0.05 . 1 . . . . 60 THR CG2 . 11009 1 689 . 1 1 62 62 THR N N 15 108.77 0.05 . 1 . . . . 60 THR N . 11009 1 690 . 1 1 63 63 ASP H H 1 7.61 0.02 . 1 . . . . 61 ASP H . 11009 1 691 . 1 1 63 63 ASP HA H 1 4.73 0.02 . 1 . . . . 61 ASP HA . 11009 1 692 . 1 1 63 63 ASP HB2 H 1 2.77 0.02 . 1 . . . . 61 ASP HB2 . 11009 1 693 . 1 1 63 63 ASP HB3 H 1 2.77 0.02 . 1 . . . . 61 ASP HB3 . 11009 1 694 . 1 1 63 63 ASP C C 13 175.75 0.05 . 1 . . . . 61 ASP C . 11009 1 695 . 1 1 63 63 ASP CA C 13 54.97 0.05 . 1 . . . . 61 ASP CA . 11009 1 696 . 1 1 63 63 ASP CB C 13 41.88 0.05 . 1 . . . . 61 ASP CB . 11009 1 697 . 1 1 63 63 ASP N N 15 119.96 0.05 . 1 . . . . 61 ASP N . 11009 1 698 . 1 1 64 64 ILE H H 1 7.10 0.02 . 1 . . . . 62 ILE H . 11009 1 699 . 1 1 64 64 ILE HA H 1 3.89 0.02 . 1 . . . . 62 ILE HA . 11009 1 700 . 1 1 64 64 ILE HB H 1 1.77 0.02 . 1 . . . . 62 ILE HB . 11009 1 701 . 1 1 64 64 ILE HG12 H 1 0.66 0.02 . 1 . . . . 62 ILE HG12 . 11009 1 702 . 1 1 64 64 ILE HG13 H 1 1.75 0.02 . 1 . . . . 62 ILE HG13 . 11009 1 703 . 1 1 64 64 ILE HG21 H 1 0.65 0.02 . 1 . . . . 62 ILE HG2 . 11009 1 704 . 1 1 64 64 ILE HG22 H 1 0.65 0.02 . 1 . . . . 62 ILE HG2 . 11009 1 705 . 1 1 64 64 ILE HG23 H 1 0.65 0.02 . 1 . . . . 62 ILE HG2 . 11009 1 706 . 1 1 64 64 ILE HD11 H 1 0.58 0.02 . 1 . . . . 62 ILE HD1 . 11009 1 707 . 1 1 64 64 ILE HD12 H 1 0.58 0.02 . 1 . . . . 62 ILE HD1 . 11009 1 708 . 1 1 64 64 ILE HD13 H 1 0.58 0.02 . 1 . . . . 62 ILE HD1 . 11009 1 709 . 1 1 64 64 ILE C C 13 175.70 0.05 . 1 . . . . 62 ILE C . 11009 1 710 . 1 1 64 64 ILE CA C 13 63.05 0.05 . 1 . . . . 62 ILE CA . 11009 1 711 . 1 1 64 64 ILE CB C 13 39.22 0.05 . 1 . . . . 62 ILE CB . 11009 1 712 . 1 1 64 64 ILE CG1 C 13 26.82 0.05 . 1 . . . . 62 ILE CG1 . 11009 1 713 . 1 1 64 64 ILE CG2 C 13 17.40 0.05 . 1 . . . . 62 ILE CG2 . 11009 1 714 . 1 1 64 64 ILE CD1 C 13 14.23 0.05 . 1 . . . . 62 ILE CD1 . 11009 1 715 . 1 1 64 64 ILE N N 15 120.29 0.05 . 1 . . . . 62 ILE N . 11009 1 716 . 1 1 65 65 ARG H H 1 9.43 0.02 . 1 . . . . 63 ARG H . 11009 1 717 . 1 1 65 65 ARG HA H 1 4.47 0.02 . 1 . . . . 63 ARG HA . 11009 1 718 . 1 1 65 65 ARG HB2 H 1 1.76 0.02 . 1 . . . . 63 ARG HB2 . 11009 1 719 . 1 1 65 65 ARG HB3 H 1 1.76 0.02 . 1 . . . . 63 ARG HB3 . 11009 1 720 . 1 1 65 65 ARG HG2 H 1 1.56 0.02 . 1 . . . . 63 ARG HG2 . 11009 1 721 . 1 1 65 65 ARG HG3 H 1 1.56 0.02 . 1 . . . . 63 ARG HG3 . 11009 1 722 . 1 1 65 65 ARG HD2 H 1 3.05 0.02 . 1 . . . . 63 ARG HD2 . 11009 1 723 . 1 1 65 65 ARG HD3 H 1 3.05 0.02 . 1 . . . . 63 ARG HD3 . 11009 1 724 . 1 1 65 65 ARG C C 13 176.85 0.05 . 1 . . . . 63 ARG C . 11009 1 725 . 1 1 65 65 ARG CA C 13 56.23 0.05 . 1 . . . . 63 ARG CA . 11009 1 726 . 1 1 65 65 ARG CB C 13 30.63 0.05 . 1 . . . . 63 ARG CB . 11009 1 727 . 1 1 65 65 ARG CG C 13 27.07 0.05 . 1 . . . . 63 ARG CG . 11009 1 728 . 1 1 65 65 ARG CD C 13 42.61 0.05 . 1 . . . . 63 ARG CD . 11009 1 729 . 1 1 65 65 ARG N N 15 126.66 0.05 . 1 . . . . 63 ARG N . 11009 1 730 . 1 1 66 66 SER H H 1 7.91 0.02 . 1 . . . . 64 SER H . 11009 1 731 . 1 1 66 66 SER HA H 1 4.53 0.02 . 1 . . . . 64 SER HA . 11009 1 732 . 1 1 66 66 SER HB2 H 1 3.78 0.02 . 1 . . . . 64 SER HB2 . 11009 1 733 . 1 1 66 66 SER HB3 H 1 3.78 0.02 . 1 . . . . 64 SER HB3 . 11009 1 734 . 1 1 66 66 SER C C 13 171.79 0.05 . 1 . . . . 64 SER C . 11009 1 735 . 1 1 66 66 SER CA C 13 58.15 0.05 . 1 . . . . 64 SER CA . 11009 1 736 . 1 1 66 66 SER CB C 13 65.02 0.05 . 1 . . . . 64 SER CB . 11009 1 737 . 1 1 66 66 SER N N 15 112.22 0.05 . 1 . . . . 64 SER N . 11009 1 738 . 1 1 67 67 ILE H H 1 8.32 0.02 . 1 . . . . 65 ILE H . 11009 1 739 . 1 1 67 67 ILE HA H 1 4.77 0.02 . 1 . . . . 65 ILE HA . 11009 1 740 . 1 1 67 67 ILE HB H 1 1.47 0.02 . 1 . . . . 65 ILE HB . 11009 1 741 . 1 1 67 67 ILE HG12 H 1 1.38 0.02 . 1 . . . . 65 ILE HG12 . 11009 1 742 . 1 1 67 67 ILE HG13 H 1 0.75 0.02 . 1 . . . . 65 ILE HG13 . 11009 1 743 . 1 1 67 67 ILE HG21 H 1 0.56 0.02 . 1 . . . . 65 ILE HG2 . 11009 1 744 . 1 1 67 67 ILE HG22 H 1 0.56 0.02 . 1 . . . . 65 ILE HG2 . 11009 1 745 . 1 1 67 67 ILE HG23 H 1 0.56 0.02 . 1 . . . . 65 ILE HG2 . 11009 1 746 . 1 1 67 67 ILE HD11 H 1 0.51 0.02 . 1 . . . . 65 ILE HD1 . 11009 1 747 . 1 1 67 67 ILE HD12 H 1 0.51 0.02 . 1 . . . . 65 ILE HD1 . 11009 1 748 . 1 1 67 67 ILE HD13 H 1 0.51 0.02 . 1 . . . . 65 ILE HD1 . 11009 1 749 . 1 1 67 67 ILE C C 13 173.07 0.05 . 1 . . . . 65 ILE C . 11009 1 750 . 1 1 67 67 ILE CA C 13 60.65 0.05 . 1 . . . . 65 ILE CA . 11009 1 751 . 1 1 67 67 ILE CB C 13 41.00 0.05 . 1 . . . . 65 ILE CB . 11009 1 752 . 1 1 67 67 ILE CG1 C 13 28.11 0.05 . 1 . . . . 65 ILE CG1 . 11009 1 753 . 1 1 67 67 ILE CG2 C 13 15.54 0.05 . 1 . . . . 65 ILE CG2 . 11009 1 754 . 1 1 67 67 ILE CD1 C 13 13.91 0.05 . 1 . . . . 65 ILE CD1 . 11009 1 755 . 1 1 67 67 ILE N N 15 121.31 0.05 . 1 . . . . 65 ILE N . 11009 1 756 . 1 1 68 68 ASP H H 1 8.73 0.02 . 1 . . . . 66 ASP H . 11009 1 757 . 1 1 68 68 ASP HA H 1 5.11 0.02 . 1 . . . . 66 ASP HA . 11009 1 758 . 1 1 68 68 ASP HB2 H 1 2.50 0.02 . 1 . . . . 66 ASP HB2 . 11009 1 759 . 1 1 68 68 ASP HB3 H 1 2.34 0.02 . 1 . . . . 66 ASP HB3 . 11009 1 760 . 1 1 68 68 ASP C C 13 174.80 0.05 . 1 . . . . 66 ASP C . 11009 1 761 . 1 1 68 68 ASP CA C 13 52.69 0.05 . 1 . . . . 66 ASP CA . 11009 1 762 . 1 1 68 68 ASP CB C 13 44.79 0.05 . 1 . . . . 66 ASP CB . 11009 1 763 . 1 1 68 68 ASP N N 15 125.40 0.05 . 1 . . . . 66 ASP N . 11009 1 764 . 1 1 69 69 LEU H H 1 8.73 0.02 . 1 . . . . 67 LEU H . 11009 1 765 . 1 1 69 69 LEU HA H 1 4.38 0.02 . 1 . . . . 67 LEU HA . 11009 1 766 . 1 1 69 69 LEU HB2 H 1 1.39 0.02 . 1 . . . . 67 LEU HB2 . 11009 1 767 . 1 1 69 69 LEU HB3 H 1 1.54 0.02 . 1 . . . . 67 LEU HB3 . 11009 1 768 . 1 1 69 69 LEU HG H 1 1.23 0.02 . 1 . . . . 67 LEU HG . 11009 1 769 . 1 1 69 69 LEU HD21 H 1 0.59 0.02 . 1 . . . . 67 LEU HD2 . 11009 1 770 . 1 1 69 69 LEU HD22 H 1 0.59 0.02 . 1 . . . . 67 LEU HD2 . 11009 1 771 . 1 1 69 69 LEU HD23 H 1 0.59 0.02 . 1 . . . . 67 LEU HD2 . 11009 1 772 . 1 1 69 69 LEU C C 13 176.91 0.05 . 1 . . . . 67 LEU C . 11009 1 773 . 1 1 69 69 LEU CA C 13 55.58 0.05 . 1 . . . . 67 LEU CA . 11009 1 774 . 1 1 69 69 LEU CB C 13 42.41 0.05 . 1 . . . . 67 LEU CB . 11009 1 775 . 1 1 69 69 LEU CG C 13 27.08 0.05 . 1 . . . . 67 LEU CG . 11009 1 776 . 1 1 69 69 LEU CD2 C 13 24.33 0.05 . 1 . . . . 67 LEU CD2 . 11009 1 777 . 1 1 69 69 LEU N N 15 123.86 0.05 . 1 . . . . 67 LEU N . 11009 1 778 . 1 1 70 70 ILE H H 1 8.35 0.02 . 1 . . . . 68 ILE H . 11009 1 779 . 1 1 70 70 ILE HA H 1 4.10 0.02 . 1 . . . . 68 ILE HA . 11009 1 780 . 1 1 70 70 ILE HB H 1 1.55 0.02 . 1 . . . . 68 ILE HB . 11009 1 781 . 1 1 70 70 ILE HG12 H 1 0.86 0.02 . 1 . . . . 68 ILE HG12 . 11009 1 782 . 1 1 70 70 ILE HG13 H 1 1.22 0.02 . 1 . . . . 68 ILE HG13 . 11009 1 783 . 1 1 70 70 ILE HG21 H 1 0.74 0.02 . 1 . . . . 68 ILE HG2 . 11009 1 784 . 1 1 70 70 ILE HG22 H 1 0.74 0.02 . 1 . . . . 68 ILE HG2 . 11009 1 785 . 1 1 70 70 ILE HG23 H 1 0.74 0.02 . 1 . . . . 68 ILE HG2 . 11009 1 786 . 1 1 70 70 ILE HD11 H 1 0.60 0.02 . 1 . . . . 68 ILE HD1 . 11009 1 787 . 1 1 70 70 ILE HD12 H 1 0.60 0.02 . 1 . . . . 68 ILE HD1 . 11009 1 788 . 1 1 70 70 ILE HD13 H 1 0.60 0.02 . 1 . . . . 68 ILE HD1 . 11009 1 789 . 1 1 70 70 ILE C C 13 175.69 0.05 . 1 . . . . 68 ILE C . 11009 1 790 . 1 1 70 70 ILE CA C 13 61.35 0.05 . 1 . . . . 68 ILE CA . 11009 1 791 . 1 1 70 70 ILE CB C 13 38.36 0.05 . 1 . . . . 68 ILE CB . 11009 1 792 . 1 1 70 70 ILE CG1 C 13 27.01 0.05 . 1 . . . . 68 ILE CG1 . 11009 1 793 . 1 1 70 70 ILE CG2 C 13 17.13 0.05 . 1 . . . . 68 ILE CG2 . 11009 1 794 . 1 1 70 70 ILE CD1 C 13 12.57 0.05 . 1 . . . . 68 ILE CD1 . 11009 1 795 . 1 1 70 70 ILE N N 15 124.23 0.05 . 1 . . . . 68 ILE N . 11009 1 796 . 1 1 71 71 GLU H H 1 8.13 0.02 . 1 . . . . 69 GLU H . 11009 1 797 . 1 1 71 71 GLU HA H 1 4.64 0.02 . 1 . . . . 69 GLU HA . 11009 1 798 . 1 1 71 71 GLU HB2 H 1 1.86 0.02 . 1 . . . . 69 GLU HB2 . 11009 1 799 . 1 1 71 71 GLU HB3 H 1 1.98 0.02 . 1 . . . . 69 GLU HB3 . 11009 1 800 . 1 1 71 71 GLU HG2 H 1 2.20 0.02 . 1 . . . . 69 GLU HG2 . 11009 1 801 . 1 1 71 71 GLU HG3 H 1 2.20 0.02 . 1 . . . . 69 GLU HG3 . 11009 1 802 . 1 1 71 71 GLU C C 13 173.82 0.05 . 1 . . . . 69 GLU C . 11009 1 803 . 1 1 71 71 GLU CA C 13 53.89 0.05 . 1 . . . . 69 GLU CA . 11009 1 804 . 1 1 71 71 GLU CB C 13 30.90 0.05 . 1 . . . . 69 GLU CB . 11009 1 805 . 1 1 71 71 GLU CG C 13 35.83 0.05 . 1 . . . . 69 GLU CG . 11009 1 806 . 1 1 71 71 GLU N N 15 122.94 0.05 . 1 . . . . 69 GLU N . 11009 1 807 . 1 1 72 72 PRO HA H 1 4.40 0.02 . 1 . . . . 70 PRO HA . 11009 1 808 . 1 1 72 72 PRO HB2 H 1 2.20 0.02 . 2 . . . . 70 PRO HB2 . 11009 1 809 . 1 1 72 72 PRO HB3 H 1 1.79 0.02 . 2 . . . . 70 PRO HB3 . 11009 1 810 . 1 1 72 72 PRO HG2 H 1 1.93 0.02 . 1 . . . . 70 PRO HG2 . 11009 1 811 . 1 1 72 72 PRO HG3 H 1 1.93 0.02 . 1 . . . . 70 PRO HG3 . 11009 1 812 . 1 1 72 72 PRO HD2 H 1 3.63 0.02 . 1 . . . . 70 PRO HD2 . 11009 1 813 . 1 1 72 72 PRO HD3 H 1 3.63 0.02 . 1 . . . . 70 PRO HD3 . 11009 1 814 . 1 1 72 72 PRO CA C 13 62.79 0.05 . 1 . . . . 70 PRO CA . 11009 1 815 . 1 1 72 72 PRO CB C 13 32.15 0.05 . 1 . . . . 70 PRO CB . 11009 1 816 . 1 1 72 72 PRO CG C 13 27.17 0.05 . 1 . . . . 70 PRO CG . 11009 1 817 . 1 1 72 72 PRO CD C 13 50.69 0.05 . 1 . . . . 70 PRO CD . 11009 1 818 . 1 1 73 73 ALA H H 1 8.20 0.02 . 1 . . . . 71 ALA H . 11009 1 819 . 1 1 73 73 ALA HA H 1 4.14 0.02 . 1 . . . . 71 ALA HA . 11009 1 820 . 1 1 73 73 ALA HB1 H 1 1.32 0.02 . 1 . . . . 71 ALA HB . 11009 1 821 . 1 1 73 73 ALA HB2 H 1 1.32 0.02 . 1 . . . . 71 ALA HB . 11009 1 822 . 1 1 73 73 ALA HB3 H 1 1.32 0.02 . 1 . . . . 71 ALA HB . 11009 1 823 . 1 1 73 73 ALA C C 13 177.78 0.05 . 1 . . . . 71 ALA C . 11009 1 824 . 1 1 73 73 ALA CA C 13 52.44 0.05 . 1 . . . . 71 ALA CA . 11009 1 825 . 1 1 73 73 ALA CB C 13 19.01 0.05 . 1 . . . . 71 ALA CB . 11009 1 826 . 1 1 73 73 ALA N N 15 123.77 0.05 . 1 . . . . 71 ALA N . 11009 1 827 . 1 1 74 74 LYS H H 1 8.23 0.02 . 1 . . . . 72 LYS H . 11009 1 828 . 1 1 74 74 LYS HA H 1 4.21 0.02 . 1 . . . . 72 LYS HA . 11009 1 829 . 1 1 74 74 LYS HB2 H 1 1.77 0.02 . 2 . . . . 72 LYS HB2 . 11009 1 830 . 1 1 74 74 LYS HB3 H 1 1.69 0.02 . 2 . . . . 72 LYS HB3 . 11009 1 831 . 1 1 74 74 LYS HG2 H 1 1.38 0.02 . 1 . . . . 72 LYS HG2 . 11009 1 832 . 1 1 74 74 LYS HG3 H 1 1.38 0.02 . 1 . . . . 72 LYS HG3 . 11009 1 833 . 1 1 74 74 LYS HD2 H 1 1.61 0.02 . 1 . . . . 72 LYS HD2 . 11009 1 834 . 1 1 74 74 LYS HD3 H 1 1.61 0.02 . 1 . . . . 72 LYS HD3 . 11009 1 835 . 1 1 74 74 LYS HE2 H 1 2.92 0.02 . 1 . . . . 72 LYS HE2 . 11009 1 836 . 1 1 74 74 LYS HE3 H 1 2.92 0.02 . 1 . . . . 72 LYS HE3 . 11009 1 837 . 1 1 74 74 LYS C C 13 176.48 0.05 . 1 . . . . 72 LYS C . 11009 1 838 . 1 1 74 74 LYS CA C 13 56.13 0.05 . 1 . . . . 72 LYS CA . 11009 1 839 . 1 1 74 74 LYS CB C 13 33.10 0.05 . 1 . . . . 72 LYS CB . 11009 1 840 . 1 1 74 74 LYS CG C 13 24.71 0.05 . 1 . . . . 72 LYS CG . 11009 1 841 . 1 1 74 74 LYS CD C 13 28.95 0.05 . 1 . . . . 72 LYS CD . 11009 1 842 . 1 1 74 74 LYS CE C 13 42.03 0.05 . 1 . . . . 72 LYS CE . 11009 1 843 . 1 1 74 74 LYS N N 15 120.92 0.05 . 1 . . . . 72 LYS N . 11009 1 844 . 1 1 75 75 GLN H H 1 8.32 0.02 . 1 . . . . 73 GLN H . 11009 1 845 . 1 1 75 75 GLN HA H 1 4.28 0.02 . 1 . . . . 73 GLN HA . 11009 1 846 . 1 1 75 75 GLN HB2 H 1 2.00 0.02 . 2 . . . . 73 GLN HB2 . 11009 1 847 . 1 1 75 75 GLN HB3 H 1 1.88 0.02 . 2 . . . . 73 GLN HB3 . 11009 1 848 . 1 1 75 75 GLN HG2 H 1 2.27 0.02 . 1 . . . . 73 GLN HG2 . 11009 1 849 . 1 1 75 75 GLN HG3 H 1 2.27 0.02 . 1 . . . . 73 GLN HG3 . 11009 1 850 . 1 1 75 75 GLN HE21 H 1 6.77 0.02 . 2 . . . . 73 GLN HE21 . 11009 1 851 . 1 1 75 75 GLN HE22 H 1 7.46 0.02 . 2 . . . . 73 GLN HE22 . 11009 1 852 . 1 1 75 75 GLN C C 13 175.37 0.05 . 1 . . . . 73 GLN C . 11009 1 853 . 1 1 75 75 GLN CA C 13 55.59 0.05 . 1 . . . . 73 GLN CA . 11009 1 854 . 1 1 75 75 GLN CB C 13 29.84 0.05 . 1 . . . . 73 GLN CB . 11009 1 855 . 1 1 75 75 GLN CG C 13 33.71 0.05 . 1 . . . . 73 GLN CG . 11009 1 856 . 1 1 75 75 GLN N N 15 121.31 0.05 . 1 . . . . 73 GLN N . 11009 1 857 . 1 1 75 75 GLN NE2 N 15 112.19 0.05 . 1 . . . . 73 GLN NE2 . 11009 1 858 . 1 1 76 76 ASP H H 1 8.34 0.02 . 1 . . . . 74 ASP H . 11009 1 859 . 1 1 76 76 ASP HA H 1 4.54 0.02 . 1 . . . . 74 ASP HA . 11009 1 860 . 1 1 76 76 ASP HB2 H 1 2.64 0.02 . 2 . . . . 74 ASP HB2 . 11009 1 861 . 1 1 76 76 ASP HB3 H 1 2.54 0.02 . 2 . . . . 74 ASP HB3 . 11009 1 862 . 1 1 76 76 ASP C C 13 176.22 0.05 . 1 . . . . 74 ASP C . 11009 1 863 . 1 1 76 76 ASP CA C 13 54.11 0.05 . 1 . . . . 74 ASP CA . 11009 1 864 . 1 1 76 76 ASP CB C 13 41.00 0.05 . 1 . . . . 74 ASP CB . 11009 1 865 . 1 1 76 76 ASP N N 15 121.68 0.05 . 1 . . . . 74 ASP N . 11009 1 866 . 1 1 77 77 LEU H H 1 8.19 0.02 . 1 . . . . 75 LEU H . 11009 1 867 . 1 1 77 77 LEU HA H 1 4.22 0.02 . 1 . . . . 75 LEU HA . 11009 1 868 . 1 1 77 77 LEU HB2 H 1 1.61 0.02 . 2 . . . . 75 LEU HB2 . 11009 1 869 . 1 1 77 77 LEU HB3 H 1 1.54 0.02 . 2 . . . . 75 LEU HB3 . 11009 1 870 . 1 1 77 77 LEU HG H 1 1.59 0.02 . 1 . . . . 75 LEU HG . 11009 1 871 . 1 1 77 77 LEU HD11 H 1 0.77 0.02 . 2 . . . . 75 LEU HD1 . 11009 1 872 . 1 1 77 77 LEU HD12 H 1 0.77 0.02 . 2 . . . . 75 LEU HD1 . 11009 1 873 . 1 1 77 77 LEU HD13 H 1 0.77 0.02 . 2 . . . . 75 LEU HD1 . 11009 1 874 . 1 1 77 77 LEU HD21 H 1 0.83 0.02 . 2 . . . . 75 LEU HD2 . 11009 1 875 . 1 1 77 77 LEU HD22 H 1 0.83 0.02 . 2 . . . . 75 LEU HD2 . 11009 1 876 . 1 1 77 77 LEU HD23 H 1 0.83 0.02 . 2 . . . . 75 LEU HD2 . 11009 1 877 . 1 1 77 77 LEU C C 13 177.30 0.05 . 1 . . . . 75 LEU C . 11009 1 878 . 1 1 77 77 LEU CA C 13 55.33 0.05 . 1 . . . . 75 LEU CA . 11009 1 879 . 1 1 77 77 LEU CB C 13 42.11 0.05 . 1 . . . . 75 LEU CB . 11009 1 880 . 1 1 77 77 LEU CG C 13 26.81 0.05 . 1 . . . . 75 LEU CG . 11009 1 881 . 1 1 77 77 LEU CD1 C 13 23.18 0.05 . 2 . . . . 75 LEU CD1 . 11009 1 882 . 1 1 77 77 LEU CD2 C 13 24.95 0.05 . 2 . . . . 75 LEU CD2 . 11009 1 883 . 1 1 77 77 LEU N N 15 122.61 0.05 . 1 . . . . 75 LEU N . 11009 1 884 . 1 1 78 78 ASP H H 1 8.23 0.02 . 1 . . . . 76 ASP H . 11009 1 885 . 1 1 78 78 ASP HA H 1 4.51 0.02 . 1 . . . . 76 ASP HA . 11009 1 886 . 1 1 78 78 ASP HB2 H 1 2.62 0.02 . 2 . . . . 76 ASP HB2 . 11009 1 887 . 1 1 78 78 ASP HB3 H 1 2.55 0.02 . 2 . . . . 76 ASP HB3 . 11009 1 888 . 1 1 78 78 ASP C C 13 176.69 0.05 . 1 . . . . 76 ASP C . 11009 1 889 . 1 1 78 78 ASP CA C 13 54.54 0.05 . 1 . . . . 76 ASP CA . 11009 1 890 . 1 1 78 78 ASP CB C 13 41.13 0.05 . 1 . . . . 76 ASP CB . 11009 1 891 . 1 1 78 78 ASP N N 15 120.29 0.05 . 1 . . . . 76 ASP N . 11009 1 892 . 1 1 79 79 GLY H H 1 8.21 0.02 . 1 . . . . 77 GLY H . 11009 1 893 . 1 1 79 79 GLY HA2 H 1 3.83 0.02 . 1 . . . . 77 GLY HA2 . 11009 1 894 . 1 1 79 79 GLY HA3 H 1 3.83 0.02 . 1 . . . . 77 GLY HA3 . 11009 1 895 . 1 1 79 79 GLY C C 13 174.24 0.05 . 1 . . . . 77 GLY C . 11009 1 896 . 1 1 79 79 GLY CA C 13 45.47 0.05 . 1 . . . . 77 GLY CA . 11009 1 897 . 1 1 79 79 GLY N N 15 108.85 0.05 . 1 . . . . 77 GLY N . 11009 1 898 . 1 1 80 80 HIS H H 1 8.17 0.02 . 1 . . . . 78 HIS H . 11009 1 899 . 1 1 80 80 HIS HA H 1 4.61 0.02 . 1 . . . . 78 HIS HA . 11009 1 900 . 1 1 80 80 HIS HB2 H 1 3.12 0.02 . 2 . . . . 78 HIS HB2 . 11009 1 901 . 1 1 80 80 HIS HB3 H 1 3.05 0.02 . 2 . . . . 78 HIS HB3 . 11009 1 902 . 1 1 80 80 HIS C C 13 175.36 0.05 . 1 . . . . 78 HIS C . 11009 1 903 . 1 1 80 80 HIS CA C 13 56.32 0.05 . 1 . . . . 78 HIS CA . 11009 1 904 . 1 1 80 80 HIS CB C 13 30.48 0.05 . 1 . . . . 78 HIS CB . 11009 1 905 . 1 1 80 80 HIS N N 15 119.26 0.05 . 1 . . . . 78 HIS N . 11009 1 906 . 1 1 81 81 THR H H 1 8.06 0.02 . 1 . . . . 79 THR H . 11009 1 907 . 1 1 81 81 THR HA H 1 4.24 0.02 . 1 . . . . 79 THR HA . 11009 1 908 . 1 1 81 81 THR HB H 1 4.08 0.02 . 1 . . . . 79 THR HB . 11009 1 909 . 1 1 81 81 THR HG21 H 1 1.10 0.02 . 1 . . . . 79 THR HG2 . 11009 1 910 . 1 1 81 81 THR HG22 H 1 1.10 0.02 . 1 . . . . 79 THR HG2 . 11009 1 911 . 1 1 81 81 THR HG23 H 1 1.10 0.02 . 1 . . . . 79 THR HG2 . 11009 1 912 . 1 1 81 81 THR C C 13 173.63 0.05 . 1 . . . . 79 THR C . 11009 1 913 . 1 1 81 81 THR CA C 13 61.67 0.05 . 1 . . . . 79 THR CA . 11009 1 914 . 1 1 81 81 THR CB C 13 69.86 0.05 . 1 . . . . 79 THR CB . 11009 1 915 . 1 1 81 81 THR CG2 C 13 21.48 0.05 . 1 . . . . 79 THR CG2 . 11009 1 916 . 1 1 81 81 THR N N 15 115.73 0.05 . 1 . . . . 79 THR N . 11009 1 917 . 1 1 82 82 ALA H H 1 8.24 0.02 . 1 . . . . 80 ALA H . 11009 1 918 . 1 1 82 82 ALA HA H 1 4.51 0.02 . 1 . . . . 80 ALA HA . 11009 1 919 . 1 1 82 82 ALA HB1 H 1 1.28 0.02 . 1 . . . . 80 ALA HB . 11009 1 920 . 1 1 82 82 ALA HB2 H 1 1.28 0.02 . 1 . . . . 80 ALA HB . 11009 1 921 . 1 1 82 82 ALA HB3 H 1 1.28 0.02 . 1 . . . . 80 ALA HB . 11009 1 922 . 1 1 82 82 ALA C C 13 174.67 0.05 . 1 . . . . 80 ALA C . 11009 1 923 . 1 1 82 82 ALA CA C 13 50.32 0.05 . 1 . . . . 80 ALA CA . 11009 1 924 . 1 1 82 82 ALA CB C 13 18.08 0.05 . 1 . . . . 80 ALA CB . 11009 1 925 . 1 1 82 82 ALA N N 15 128.26 0.05 . 1 . . . . 80 ALA N . 11009 1 926 . 1 1 83 83 PRO HD2 H 1 3.74 0.02 . 2 . . . . 81 PRO HD2 . 11009 1 927 . 1 1 83 83 PRO HD3 H 1 3.58 0.02 . 2 . . . . 81 PRO HD3 . 11009 1 928 . 1 1 85 85 PRO CA C 13 62.86 0.05 . 1 . . . . 83 PRO CA . 11009 1 929 . 1 1 85 85 PRO CD C 13 50.27 0.05 . 1 . . . . 83 PRO CD . 11009 1 930 . 1 1 86 86 VAL H H 1 8.09 0.02 . 1 . . . . 84 VAL H . 11009 1 931 . 1 1 86 86 VAL HA H 1 4.06 0.02 . 1 . . . . 84 VAL HA . 11009 1 932 . 1 1 86 86 VAL HB H 1 1.97 0.02 . 1 . . . . 84 VAL HB . 11009 1 933 . 1 1 86 86 VAL HG11 H 1 0.84 0.02 . 1 . . . . 84 VAL HG1 . 11009 1 934 . 1 1 86 86 VAL HG12 H 1 0.84 0.02 . 1 . . . . 84 VAL HG1 . 11009 1 935 . 1 1 86 86 VAL HG13 H 1 0.84 0.02 . 1 . . . . 84 VAL HG1 . 11009 1 936 . 1 1 86 86 VAL HG21 H 1 0.84 0.02 . 1 . . . . 84 VAL HG2 . 11009 1 937 . 1 1 86 86 VAL HG22 H 1 0.84 0.02 . 1 . . . . 84 VAL HG2 . 11009 1 938 . 1 1 86 86 VAL HG23 H 1 0.84 0.02 . 1 . . . . 84 VAL HG2 . 11009 1 939 . 1 1 86 86 VAL C C 13 176.01 0.05 . 1 . . . . 84 VAL C . 11009 1 940 . 1 1 86 86 VAL CA C 13 62.24 0.05 . 1 . . . . 84 VAL CA . 11009 1 941 . 1 1 86 86 VAL CB C 13 32.75 0.05 . 1 . . . . 84 VAL CB . 11009 1 942 . 1 1 86 86 VAL CG1 C 13 20.76 0.05 . 1 . . . . 84 VAL CG1 . 11009 1 943 . 1 1 86 86 VAL CG2 C 13 20.76 0.05 . 1 . . . . 84 VAL CG2 . 11009 1 944 . 1 1 86 86 VAL N N 15 120.55 0.05 . 1 . . . . 84 VAL N . 11009 1 945 . 1 1 87 87 VAL H H 1 8.13 0.02 . 1 . . . . 85 VAL H . 11009 1 946 . 1 1 87 87 VAL HA H 1 4.05 0.02 . 1 . . . . 85 VAL HA . 11009 1 947 . 1 1 87 87 VAL HB H 1 1.95 0.02 . 1 . . . . 85 VAL HB . 11009 1 948 . 1 1 87 87 VAL C C 13 175.44 0.05 . 1 . . . . 85 VAL C . 11009 1 949 . 1 1 87 87 VAL CA C 13 61.97 0.05 . 1 . . . . 85 VAL CA . 11009 1 950 . 1 1 87 87 VAL CB C 13 33.48 0.05 . 1 . . . . 85 VAL CB . 11009 1 951 . 1 1 87 87 VAL N N 15 124.04 0.05 . 1 . . . . 85 VAL N . 11009 1 952 . 1 1 88 88 ASN H H 1 8.43 0.02 . 1 . . . . 86 ASN H . 11009 1 953 . 1 1 88 88 ASN HA H 1 4.63 0.02 . 1 . . . . 86 ASN HA . 11009 1 954 . 1 1 88 88 ASN HB3 H 1 2.66 0.02 . 2 . . . . 86 ASN HB3 . 11009 1 955 . 1 1 88 88 ASN CA C 13 52.96 0.05 . 1 . . . . 86 ASN CA . 11009 1 956 . 1 1 88 88 ASN CB C 13 38.71 0.05 . 1 . . . . 86 ASN CB . 11009 1 957 . 1 1 88 88 ASN N N 15 123.01 0.05 . 1 . . . . 86 ASN N . 11009 1 958 . 1 1 90 90 PRO CA C 13 62.81 0.05 . 1 . . . . 88 PRO CA . 11009 1 959 . 1 1 90 90 PRO CB C 13 32.00 0.05 . 1 . . . . 88 PRO CB . 11009 1 960 . 1 1 90 90 PRO CG C 13 27.24 0.05 . 1 . . . . 88 PRO CG . 11009 1 961 . 1 1 90 90 PRO CD C 13 50.49 0.05 . 1 . . . . 88 PRO CD . 11009 1 962 . 1 1 91 91 THR H H 1 8.28 0.02 . 1 . . . . 89 THR H . 11009 1 963 . 1 1 91 91 THR HA H 1 4.48 0.02 . 1 . . . . 89 THR HA . 11009 1 964 . 1 1 91 91 THR HB H 1 4.07 0.02 . 1 . . . . 89 THR HB . 11009 1 965 . 1 1 91 91 THR HG21 H 1 1.21 0.02 . 1 . . . . 89 THR HG2 . 11009 1 966 . 1 1 91 91 THR HG22 H 1 1.21 0.02 . 1 . . . . 89 THR HG2 . 11009 1 967 . 1 1 91 91 THR HG23 H 1 1.21 0.02 . 1 . . . . 89 THR HG2 . 11009 1 968 . 1 1 91 91 THR C C 13 172.77 0.05 . 1 . . . . 89 THR C . 11009 1 969 . 1 1 91 91 THR CA C 13 59.77 0.05 . 1 . . . . 89 THR CA . 11009 1 970 . 1 1 91 91 THR CB C 13 69.68 0.05 . 1 . . . . 89 THR CB . 11009 1 971 . 1 1 91 91 THR CG2 C 13 21.35 0.05 . 1 . . . . 89 THR CG2 . 11009 1 972 . 1 1 91 91 THR N N 15 117.89 0.05 . 1 . . . . 89 THR N . 11009 1 973 . 1 1 92 92 PRO CA C 13 62.86 0.05 . 1 . . . . 90 PRO CA . 11009 1 974 . 1 1 92 92 PRO CB C 13 31.93 0.05 . 1 . . . . 90 PRO CB . 11009 1 975 . 1 1 92 92 PRO CG C 13 27.26 0.05 . 1 . . . . 90 PRO CG . 11009 1 976 . 1 1 92 92 PRO CD C 13 50.84 0.05 . 1 . . . . 90 PRO CD . 11009 1 977 . 1 1 93 93 VAL H H 1 8.10 0.02 . 1 . . . . 91 VAL H . 11009 1 978 . 1 1 93 93 VAL HA H 1 3.98 0.02 . 1 . . . . 91 VAL HA . 11009 1 979 . 1 1 93 93 VAL HB H 1 1.95 0.02 . 1 . . . . 91 VAL HB . 11009 1 980 . 1 1 93 93 VAL HG11 H 1 0.85 0.02 . 1 . . . . 91 VAL HG1 . 11009 1 981 . 1 1 93 93 VAL HG12 H 1 0.85 0.02 . 1 . . . . 91 VAL HG1 . 11009 1 982 . 1 1 93 93 VAL HG13 H 1 0.85 0.02 . 1 . . . . 91 VAL HG1 . 11009 1 983 . 1 1 93 93 VAL HG21 H 1 0.85 0.02 . 1 . . . . 91 VAL HG2 . 11009 1 984 . 1 1 93 93 VAL HG22 H 1 0.85 0.02 . 1 . . . . 91 VAL HG2 . 11009 1 985 . 1 1 93 93 VAL HG23 H 1 0.85 0.02 . 1 . . . . 91 VAL HG2 . 11009 1 986 . 1 1 93 93 VAL C C 13 175.67 0.05 . 1 . . . . 91 VAL C . 11009 1 987 . 1 1 93 93 VAL CA C 13 62.08 0.05 . 1 . . . . 91 VAL CA . 11009 1 988 . 1 1 93 93 VAL CB C 13 32.96 0.05 . 1 . . . . 91 VAL CB . 11009 1 989 . 1 1 93 93 VAL CG1 C 13 20.75 0.05 . 1 . . . . 91 VAL CG1 . 11009 1 990 . 1 1 93 93 VAL CG2 C 13 20.75 0.05 . 1 . . . . 91 VAL CG2 . 11009 1 991 . 1 1 93 93 VAL N N 15 120.77 0.05 . 1 . . . . 91 VAL N . 11009 1 992 . 1 1 94 94 LYS H H 1 8.26 0.02 . 1 . . . . 92 LYS H . 11009 1 993 . 1 1 94 94 LYS HA H 1 4.30 0.02 . 1 . . . . 92 LYS HA . 11009 1 994 . 1 1 94 94 LYS HB2 H 1 1.71 0.02 . 2 . . . . 92 LYS HB2 . 11009 1 995 . 1 1 94 94 LYS HB3 H 1 1.64 0.02 . 2 . . . . 92 LYS HB3 . 11009 1 996 . 1 1 94 94 LYS HG2 H 1 1.35 0.02 . 2 . . . . 92 LYS HG2 . 11009 1 997 . 1 1 94 94 LYS HG3 H 1 1.29 0.02 . 2 . . . . 92 LYS HG3 . 11009 1 998 . 1 1 94 94 LYS HD2 H 1 1.59 0.02 . 1 . . . . 92 LYS HD2 . 11009 1 999 . 1 1 94 94 LYS HD3 H 1 1.59 0.02 . 1 . . . . 92 LYS HD3 . 11009 1 1000 . 1 1 94 94 LYS HE2 H 1 2.91 0.02 . 1 . . . . 92 LYS HE2 . 11009 1 1001 . 1 1 94 94 LYS HE3 H 1 2.91 0.02 . 1 . . . . 92 LYS HE3 . 11009 1 1002 . 1 1 94 94 LYS C C 13 175.73 0.05 . 1 . . . . 92 LYS C . 11009 1 1003 . 1 1 94 94 LYS CA C 13 55.59 0.05 . 1 . . . . 92 LYS CA . 11009 1 1004 . 1 1 94 94 LYS CB C 13 32.99 0.05 . 1 . . . . 92 LYS CB . 11009 1 1005 . 1 1 94 94 LYS CG C 13 24.60 0.05 . 1 . . . . 92 LYS CG . 11009 1 1006 . 1 1 94 94 LYS CD C 13 29.00 0.05 . 1 . . . . 92 LYS CD . 11009 1 1007 . 1 1 94 94 LYS CE C 13 41.94 0.05 . 1 . . . . 92 LYS CE . 11009 1 1008 . 1 1 94 94 LYS N N 15 125.62 0.05 . 1 . . . . 92 LYS N . 11009 1 1009 . 1 1 95 95 LEU H H 1 8.16 0.02 . 1 . . . . 93 LEU H . 11009 1 1010 . 1 1 95 95 LEU HA H 1 4.49 0.02 . 1 . . . . 93 LEU HA . 11009 1 1011 . 1 1 95 95 LEU HB2 H 1 1.52 0.02 . 2 . . . . 93 LEU HB2 . 11009 1 1012 . 1 1 95 95 LEU HB3 H 1 1.40 0.02 . 2 . . . . 93 LEU HB3 . 11009 1 1013 . 1 1 95 95 LEU HG H 1 1.54 0.02 . 1 . . . . 93 LEU HG . 11009 1 1014 . 1 1 95 95 LEU HD11 H 1 0.77 0.02 . 2 . . . . 93 LEU HD1 . 11009 1 1015 . 1 1 95 95 LEU HD12 H 1 0.77 0.02 . 2 . . . . 93 LEU HD1 . 11009 1 1016 . 1 1 95 95 LEU HD13 H 1 0.77 0.02 . 2 . . . . 93 LEU HD1 . 11009 1 1017 . 1 1 95 95 LEU HD21 H 1 0.85 0.02 . 2 . . . . 93 LEU HD2 . 11009 1 1018 . 1 1 95 95 LEU HD22 H 1 0.85 0.02 . 2 . . . . 93 LEU HD2 . 11009 1 1019 . 1 1 95 95 LEU HD23 H 1 0.85 0.02 . 2 . . . . 93 LEU HD2 . 11009 1 1020 . 1 1 95 95 LEU C C 13 175.26 0.05 . 1 . . . . 93 LEU C . 11009 1 1021 . 1 1 95 95 LEU CA C 13 52.75 0.05 . 1 . . . . 93 LEU CA . 11009 1 1022 . 1 1 95 95 LEU CB C 13 41.52 0.05 . 1 . . . . 93 LEU CB . 11009 1 1023 . 1 1 95 95 LEU CG C 13 26.69 0.05 . 1 . . . . 93 LEU CG . 11009 1 1024 . 1 1 95 95 LEU CD1 C 13 23.09 0.05 . 2 . . . . 93 LEU CD1 . 11009 1 1025 . 1 1 95 95 LEU CD2 C 13 25.06 0.05 . 2 . . . . 93 LEU CD2 . 11009 1 1026 . 1 1 95 95 LEU N N 15 125.51 0.05 . 1 . . . . 93 LEU N . 11009 1 1027 . 1 1 96 96 PRO HA H 1 4.61 0.02 . 1 . . . . 94 PRO HA . 11009 1 1028 . 1 1 96 96 PRO HB2 H 1 2.26 0.02 . 2 . . . . 94 PRO HB2 . 11009 1 1029 . 1 1 96 96 PRO HB3 H 1 1.82 0.02 . 2 . . . . 94 PRO HB3 . 11009 1 1030 . 1 1 96 96 PRO HG2 H 1 1.94 0.02 . 2 . . . . 94 PRO HG2 . 11009 1 1031 . 1 1 96 96 PRO HG3 H 1 1.88 0.02 . 2 . . . . 94 PRO HG3 . 11009 1 1032 . 1 1 96 96 PRO HD2 H 1 3.74 0.02 . 2 . . . . 94 PRO HD2 . 11009 1 1033 . 1 1 96 96 PRO HD3 H 1 3.56 0.02 . 2 . . . . 94 PRO HD3 . 11009 1 1034 . 1 1 96 96 PRO CA C 13 61.12 0.05 . 1 . . . . 94 PRO CA . 11009 1 1035 . 1 1 96 96 PRO CB C 13 30.50 0.05 . 1 . . . . 94 PRO CB . 11009 1 1036 . 1 1 96 96 PRO CG C 13 27.14 0.05 . 1 . . . . 94 PRO CG . 11009 1 1037 . 1 1 96 96 PRO CD C 13 50.22 0.05 . 1 . . . . 94 PRO CD . 11009 1 1038 . 1 1 97 97 HIS HA H 1 4.12 0.02 . 1 . . . . 95 HIS HA . 11009 1 1039 . 1 1 97 97 HIS HB2 H 1 2.92 0.02 . 1 . . . . 95 HIS HB2 . 11009 1 1040 . 1 1 97 97 HIS HB3 H 1 2.92 0.02 . 1 . . . . 95 HIS HB3 . 11009 1 1041 . 1 1 97 97 HIS CA C 13 56.30 0.05 . 1 . . . . 95 HIS CA . 11009 1 1042 . 1 1 97 97 HIS CB C 13 30.71 0.05 . 1 . . . . 95 HIS CB . 11009 1 1043 . 1 1 98 98 PHE HA H 1 4.54 0.02 . 1 . . . . 96 PHE HA . 11009 1 1044 . 1 1 98 98 PHE HB2 H 1 3.04 0.02 . 2 . . . . 96 PHE HB2 . 11009 1 1045 . 1 1 98 98 PHE HB3 H 1 2.91 0.02 . 2 . . . . 96 PHE HB3 . 11009 1 1046 . 1 1 98 98 PHE HD1 H 1 7.09 0.02 . 1 . . . . 96 PHE HD1 . 11009 1 1047 . 1 1 98 98 PHE HD2 H 1 7.09 0.02 . 1 . . . . 96 PHE HD2 . 11009 1 1048 . 1 1 98 98 PHE C C 13 175.45 0.05 . 1 . . . . 96 PHE C . 11009 1 1049 . 1 1 98 98 PHE CA C 13 57.41 0.05 . 1 . . . . 96 PHE CA . 11009 1 1050 . 1 1 98 98 PHE CB C 13 39.40 0.05 . 1 . . . . 96 PHE CB . 11009 1 1051 . 1 1 99 99 SER H H 1 8.14 0.02 . 1 . . . . 97 SER H . 11009 1 1052 . 1 1 99 99 SER HA H 1 4.31 0.02 . 1 . . . . 97 SER HA . 11009 1 1053 . 1 1 99 99 SER HB2 H 1 3.76 0.02 . 2 . . . . 97 SER HB2 . 11009 1 1054 . 1 1 99 99 SER HB3 H 1 3.72 0.02 . 2 . . . . 97 SER HB3 . 11009 1 1055 . 1 1 99 99 SER CA C 13 58.30 0.05 . 1 . . . . 97 SER CA . 11009 1 1056 . 1 1 99 99 SER CB C 13 63.71 0.05 . 1 . . . . 97 SER CB . 11009 1 1057 . 1 1 99 99 SER N N 15 117.04 0.05 . 1 . . . . 97 SER N . 11009 1 1058 . 1 1 100 100 ASN HB2 H 1 2.78 0.02 . 2 . . . . 98 ASN HB2 . 11009 1 1059 . 1 1 100 100 ASN HB3 H 1 2.72 0.02 . 2 . . . . 98 ASN HB3 . 11009 1 1060 . 1 1 100 100 ASN HD21 H 1 6.81 0.02 . 2 . . . . 98 ASN HD21 . 11009 1 1061 . 1 1 100 100 ASN HD22 H 1 7.51 0.02 . 2 . . . . 98 ASN HD22 . 11009 1 1062 . 1 1 100 100 ASN C C 13 174.94 0.05 . 1 . . . . 98 ASN C . 11009 1 1063 . 1 1 100 100 ASN CA C 13 53.18 0.05 . 1 . . . . 98 ASN CA . 11009 1 1064 . 1 1 100 100 ASN CB C 13 38.66 0.05 . 1 . . . . 98 ASN CB . 11009 1 1065 . 1 1 100 100 ASN ND2 N 15 112.58 0.05 . 1 . . . . 98 ASN ND2 . 11009 1 1066 . 1 1 101 101 ILE H H 1 7.93 0.02 . 1 . . . . 99 ILE H . 11009 1 1067 . 1 1 101 101 ILE HA H 1 4.08 0.02 . 1 . . . . 99 ILE HA . 11009 1 1068 . 1 1 101 101 ILE HB H 1 1.81 0.02 . 1 . . . . 99 ILE HB . 11009 1 1069 . 1 1 101 101 ILE HG12 H 1 1.36 0.02 . 2 . . . . 99 ILE HG12 . 11009 1 1070 . 1 1 101 101 ILE HG13 H 1 1.09 0.02 . 2 . . . . 99 ILE HG13 . 11009 1 1071 . 1 1 101 101 ILE HG21 H 1 0.82 0.02 . 1 . . . . 99 ILE HG2 . 11009 1 1072 . 1 1 101 101 ILE HG22 H 1 0.82 0.02 . 1 . . . . 99 ILE HG2 . 11009 1 1073 . 1 1 101 101 ILE HG23 H 1 0.82 0.02 . 1 . . . . 99 ILE HG2 . 11009 1 1074 . 1 1 101 101 ILE HD11 H 1 0.77 0.02 . 1 . . . . 99 ILE HD1 . 11009 1 1075 . 1 1 101 101 ILE HD12 H 1 0.77 0.02 . 1 . . . . 99 ILE HD1 . 11009 1 1076 . 1 1 101 101 ILE HD13 H 1 0.77 0.02 . 1 . . . . 99 ILE HD1 . 11009 1 1077 . 1 1 101 101 ILE C C 13 175.96 0.05 . 1 . . . . 99 ILE C . 11009 1 1078 . 1 1 101 101 ILE CA C 13 61.40 0.05 . 1 . . . . 99 ILE CA . 11009 1 1079 . 1 1 101 101 ILE CB C 13 38.61 0.05 . 1 . . . . 99 ILE CB . 11009 1 1080 . 1 1 101 101 ILE CG1 C 13 27.02 0.05 . 1 . . . . 99 ILE CG1 . 11009 1 1081 . 1 1 101 101 ILE CG2 C 13 17.35 0.05 . 1 . . . . 99 ILE CG2 . 11009 1 1082 . 1 1 101 101 ILE CD1 C 13 12.87 0.05 . 1 . . . . 99 ILE CD1 . 11009 1 1083 . 1 1 101 101 ILE N N 15 120.44 0.05 . 1 . . . . 99 ILE N . 11009 1 1084 . 1 1 102 102 LEU H H 1 8.17 0.02 . 1 . . . . 100 LEU H . 11009 1 1085 . 1 1 102 102 LEU HA H 1 4.32 0.02 . 1 . . . . 100 LEU HA . 11009 1 1086 . 1 1 102 102 LEU HB2 H 1 1.59 0.02 . 1 . . . . 100 LEU HB2 . 11009 1 1087 . 1 1 102 102 LEU HB3 H 1 1.53 0.02 . 1 . . . . 100 LEU HB3 . 11009 1 1088 . 1 1 102 102 LEU HG H 1 1.54 0.02 . 1 . . . . 100 LEU HG . 11009 1 1089 . 1 1 102 102 LEU HD11 H 1 0.77 0.02 . 2 . . . . 100 LEU HD1 . 11009 1 1090 . 1 1 102 102 LEU HD12 H 1 0.77 0.02 . 2 . . . . 100 LEU HD1 . 11009 1 1091 . 1 1 102 102 LEU HD13 H 1 0.77 0.02 . 2 . . . . 100 LEU HD1 . 11009 1 1092 . 1 1 102 102 LEU HD21 H 1 0.84 0.02 . 2 . . . . 100 LEU HD2 . 11009 1 1093 . 1 1 102 102 LEU HD22 H 1 0.84 0.02 . 2 . . . . 100 LEU HD2 . 11009 1 1094 . 1 1 102 102 LEU HD23 H 1 0.84 0.02 . 2 . . . . 100 LEU HD2 . 11009 1 1095 . 1 1 102 102 LEU C C 13 176.58 0.05 . 1 . . . . 100 LEU C . 11009 1 1096 . 1 1 102 102 LEU CA C 13 54.95 0.05 . 1 . . . . 100 LEU CA . 11009 1 1097 . 1 1 102 102 LEU CB C 13 42.23 0.05 . 1 . . . . 100 LEU CB . 11009 1 1098 . 1 1 102 102 LEU CG C 13 26.98 0.05 . 1 . . . . 100 LEU CG . 11009 1 1099 . 1 1 102 102 LEU CD1 C 13 23.12 0.05 . 2 . . . . 100 LEU CD1 . 11009 1 1100 . 1 1 102 102 LEU CD2 C 13 24.99 0.05 . 2 . . . . 100 LEU CD2 . 11009 1 1101 . 1 1 102 102 LEU N N 15 125.52 0.05 . 1 . . . . 100 LEU N . 11009 1 1102 . 1 1 103 103 GLY H H 1 7.76 0.02 . 1 . . . . 101 GLY H . 11009 1 1103 . 1 1 103 103 GLY HA2 H 1 3.67 0.02 . 1 . . . . 101 GLY HA2 . 11009 1 1104 . 1 1 103 103 GLY HA3 H 1 3.67 0.02 . 1 . . . . 101 GLY HA3 . 11009 1 1105 . 1 1 103 103 GLY C C 13 178.74 0.05 . 1 . . . . 101 GLY C . 11009 1 1106 . 1 1 103 103 GLY CA C 13 46.03 0.05 . 1 . . . . 101 GLY CA . 11009 1 1107 . 1 1 103 103 GLY N N 15 115.66 0.05 . 1 . . . . 101 GLY N . 11009 1 stop_ save_