data_6933 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6933 _Study_list.ID 1 loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . Neurabin 6933 1 . PDZ 6933 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6933 _Entry.Title ; Complete Chemical Shift Assignment for the Neurabin PDZ Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-01-06 _Entry.Accession_date 2006-01-06 _Entry.Last_release_date 2007-04-11 _Entry.Original_release_date 2007-04-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Barbara Dancheck . . . 6933 2 Wolfgang Peti . . . 6933 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Brown University' . 6933 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6933 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 369 6933 '15N chemical shifts' 99 6933 '1H chemical shifts' 637 6933 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 . . 2007-04-11 2006-01-06 original author . 6933 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 6927 'protein isoform' 6933 . 7118 'Neurabin SAM domain monomer' 6933 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6933 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17279777 _Citation.Full_citation . _Citation.Title 'Structural basis for spinophilin-neurabin receptor interaction.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry. _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 9 _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 2333 _Citation.Page_last 2344 _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 M. Kelker . S. . 6933 1 2 Barbara Dancheck . . . 6933 1 3 T. Ju . . . 6933 1 4 R. Kessler . P. . 6933 1 5 J. Hudak . . . 6933 1 6 A. Nairn . C. . 6933 1 7 Wolfgang Peti . . . 6933 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Neurabin 6933 1 PDZ 6933 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6933 _Assembly.ID 1 _Assembly.Name 'Neurabin PDZ' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 10163.6 _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 'Neurabin PDZ' 1 $Neurabin_PDZ . . no native no no . . . 6933 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Neurabin_PDZ _Entity.Sf_category entity _Entity.Sf_framecode Neurabin_PDZ _Entity.Entry_ID 6933 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Neurabin PDZ Domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMELFPVELEKDEDGLGIS IIGMGVGADAGLEKLGIFVK TVTEGGAAQRDGRIQVNDQI VEVDGISLVGVTQNFAATVL RNTKGNVRFVIGRE ; _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11202 . "PDZ domain" . . . . . 97.87 107 98.91 100.00 9.02e-55 . . . . 6933 1 2 no PDB 1WF8 . "Solution Structure Of The Pdz Domain Of SpinophilinNEURABINII PROTEIN" . . . . . 97.87 107 98.91 100.00 9.02e-55 . . . . 6933 1 3 no PDB 2FN5 . "Nmr Structure Of The Neurabin Pdz Domain (502-594)" . . . . . 100.00 94 100.00 100.00 5.12e-57 . . . . 6933 1 4 no PDB 3HVQ . "Crystal Structure Of A Complex Between Protein Phosphatase 1 Alpha (Pp1) And The Pp1 Binding And Pdz Domains Of Neurabin" . . . . . 97.87 170 98.91 100.00 1.82e-54 . . . . 6933 1 5 no DBJ BAA86536 . "KIAA1222 protein [Homo sapiens]" . . . . . 97.87 742 98.91 100.00 2.13e-50 . . . . 6933 1 6 no DBJ BAC77245 . "neural tissue-specific F-actin binding protein [Mus musculus]" . . . . . 97.87 1095 97.83 100.00 2.20e-50 . . . . 6933 1 7 no DBJ BAE22449 . "unnamed protein product [Mus musculus]" . . . . . 97.87 642 97.83 100.00 4.49e-51 . . . . 6933 1 8 no DBJ BAE23620 . "unnamed protein product [Mus musculus]" . . . . . 97.87 1042 97.83 100.00 3.15e-50 . . . . 6933 1 9 no GB AAC53454 . "neurabin [Rattus norvegicus]" . . . . . 97.87 1095 98.91 100.00 1.67e-50 . . . . 6933 1 10 no GB AAH53748 . "Ppp1r9a protein [Mus musculus]" . . . . . 97.87 969 97.83 100.00 1.40e-50 . . . . 6933 1 11 no GB AAI18112 . "Protein phosphatase 1, regulatory (inhibitor) subunit 9A [Bos taurus]" . . . . . 97.87 647 98.91 100.00 1.59e-51 . . . . 6933 1 12 no GB AAI30450 . "PPP1R9A protein [Homo sapiens]" . . . . . 97.87 1253 98.91 100.00 9.87e-52 . . . . 6933 1 13 no GB AAI44110 . "PPP1R9A protein [Homo sapiens]" . . . . . 97.87 1090 98.91 100.00 1.63e-50 . . . . 6933 1 14 no REF NP_001069621 . "neurabin-1 [Bos taurus]" . . . . . 97.87 1097 98.91 100.00 1.06e-50 . . . . 6933 1 15 no REF NP_001159632 . "neurabin-1 isoform 1 [Homo sapiens]" . . . . . 97.87 1374 98.91 100.00 8.16e-52 . . . . 6933 1 16 no REF NP_001159633 . "neurabin-1 isoform 2 [Homo sapiens]" . . . . . 97.87 1296 98.91 100.00 1.94e-51 . . . . 6933 1 17 no REF NP_001159634 . "neurabin-1 isoform 3 [Homo sapiens]" . . . . . 97.87 1253 98.91 100.00 9.87e-52 . . . . 6933 1 18 no REF NP_001159635 . "neurabin-1 isoform 5 [Homo sapiens]" . . . . . 97.87 1090 98.91 100.00 1.63e-50 . . . . 6933 1 19 no SP O35867 . "RecName: Full=Neurabin-1; AltName: Full=Neurabin-I; AltName: Full=Neural tissue-specific F-actin-binding protein I; AltName: Fu" . . . . . 97.87 1095 98.91 100.00 1.67e-50 . . . . 6933 1 20 no SP Q9ULJ8 . "RecName: Full=Neurabin-1; AltName: Full=Neurabin-I; AltName: Full=Neural tissue-specific F-actin-binding protein I; AltName: Fu" . . . . . 97.87 1098 98.91 100.00 1.68e-50 . . . . 6933 1 21 no TPG DAA30807 . "TPA: protein phosphatase 1, regulatory (inhibitor) subunit 9A [Bos taurus]" . . . . . 97.87 1312 98.91 100.00 1.09e-51 . . . . 6933 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 . GLY . 6933 1 2 . HIS . 6933 1 3 . MET . 6933 1 4 . GLU . 6933 1 5 . LEU . 6933 1 6 . PHE . 6933 1 7 . PRO . 6933 1 8 . VAL . 6933 1 9 . GLU . 6933 1 10 . LEU . 6933 1 11 . GLU . 6933 1 12 . LYS . 6933 1 13 . ASP . 6933 1 14 . GLU . 6933 1 15 . ASP . 6933 1 16 . GLY . 6933 1 17 . LEU . 6933 1 18 . GLY . 6933 1 19 . ILE . 6933 1 20 . SER . 6933 1 21 . ILE . 6933 1 22 . ILE . 6933 1 23 . GLY . 6933 1 24 . MET . 6933 1 25 . GLY . 6933 1 26 . VAL . 6933 1 27 . GLY . 6933 1 28 . ALA . 6933 1 29 . ASP . 6933 1 30 . ALA . 6933 1 31 . GLY . 6933 1 32 . LEU . 6933 1 33 . GLU . 6933 1 34 . LYS . 6933 1 35 . LEU . 6933 1 36 . GLY . 6933 1 37 . ILE . 6933 1 38 . PHE . 6933 1 39 . VAL . 6933 1 40 . LYS . 6933 1 41 . THR . 6933 1 42 . VAL . 6933 1 43 . THR . 6933 1 44 . GLU . 6933 1 45 . GLY . 6933 1 46 . GLY . 6933 1 47 . ALA . 6933 1 48 . ALA . 6933 1 49 . GLN . 6933 1 50 . ARG . 6933 1 51 . ASP . 6933 1 52 . GLY . 6933 1 53 . ARG . 6933 1 54 . ILE . 6933 1 55 . GLN . 6933 1 56 . VAL . 6933 1 57 . ASN . 6933 1 58 . ASP . 6933 1 59 . GLN . 6933 1 60 . ILE . 6933 1 61 . VAL . 6933 1 62 . GLU . 6933 1 63 . VAL . 6933 1 64 . ASP . 6933 1 65 . GLY . 6933 1 66 . ILE . 6933 1 67 . SER . 6933 1 68 . LEU . 6933 1 69 . VAL . 6933 1 70 . GLY . 6933 1 71 . VAL . 6933 1 72 . THR . 6933 1 73 . GLN . 6933 1 74 . ASN . 6933 1 75 . PHE . 6933 1 76 . ALA . 6933 1 77 . ALA . 6933 1 78 . THR . 6933 1 79 . VAL . 6933 1 80 . LEU . 6933 1 81 . ARG . 6933 1 82 . ASN . 6933 1 83 . THR . 6933 1 84 . LYS . 6933 1 85 . GLY . 6933 1 86 . ASN . 6933 1 87 . VAL . 6933 1 88 . ARG . 6933 1 89 . PHE . 6933 1 90 . VAL . 6933 1 91 . ILE . 6933 1 92 . GLY . 6933 1 93 . ARG . 6933 1 94 . GLU . 6933 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 6933 1 . HIS 2 2 6933 1 . MET 3 3 6933 1 . GLU 4 4 6933 1 . LEU 5 5 6933 1 . PHE 6 6 6933 1 . PRO 7 7 6933 1 . VAL 8 8 6933 1 . GLU 9 9 6933 1 . LEU 10 10 6933 1 . GLU 11 11 6933 1 . LYS 12 12 6933 1 . ASP 13 13 6933 1 . GLU 14 14 6933 1 . ASP 15 15 6933 1 . GLY 16 16 6933 1 . LEU 17 17 6933 1 . GLY 18 18 6933 1 . ILE 19 19 6933 1 . SER 20 20 6933 1 . ILE 21 21 6933 1 . ILE 22 22 6933 1 . GLY 23 23 6933 1 . MET 24 24 6933 1 . GLY 25 25 6933 1 . VAL 26 26 6933 1 . GLY 27 27 6933 1 . ALA 28 28 6933 1 . ASP 29 29 6933 1 . ALA 30 30 6933 1 . GLY 31 31 6933 1 . LEU 32 32 6933 1 . GLU 33 33 6933 1 . LYS 34 34 6933 1 . LEU 35 35 6933 1 . GLY 36 36 6933 1 . ILE 37 37 6933 1 . PHE 38 38 6933 1 . VAL 39 39 6933 1 . LYS 40 40 6933 1 . THR 41 41 6933 1 . VAL 42 42 6933 1 . THR 43 43 6933 1 . GLU 44 44 6933 1 . GLY 45 45 6933 1 . GLY 46 46 6933 1 . ALA 47 47 6933 1 . ALA 48 48 6933 1 . GLN 49 49 6933 1 . ARG 50 50 6933 1 . ASP 51 51 6933 1 . GLY 52 52 6933 1 . ARG 53 53 6933 1 . ILE 54 54 6933 1 . GLN 55 55 6933 1 . VAL 56 56 6933 1 . ASN 57 57 6933 1 . ASP 58 58 6933 1 . GLN 59 59 6933 1 . ILE 60 60 6933 1 . VAL 61 61 6933 1 . GLU 62 62 6933 1 . VAL 63 63 6933 1 . ASP 64 64 6933 1 . GLY 65 65 6933 1 . ILE 66 66 6933 1 . SER 67 67 6933 1 . LEU 68 68 6933 1 . VAL 69 69 6933 1 . GLY 70 70 6933 1 . VAL 71 71 6933 1 . THR 72 72 6933 1 . GLN 73 73 6933 1 . ASN 74 74 6933 1 . PHE 75 75 6933 1 . ALA 76 76 6933 1 . ALA 77 77 6933 1 . THR 78 78 6933 1 . VAL 79 79 6933 1 . LEU 80 80 6933 1 . ARG 81 81 6933 1 . ASN 82 82 6933 1 . THR 83 83 6933 1 . LYS 84 84 6933 1 . GLY 85 85 6933 1 . ASN 86 86 6933 1 . VAL 87 87 6933 1 . ARG 88 88 6933 1 . PHE 89 89 6933 1 . VAL 90 90 6933 1 . ILE 91 91 6933 1 . GLY 92 92 6933 1 . ARG 93 93 6933 1 . GLU 94 94 6933 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 6933 _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 $Neurabin_PDZ . 10116 organism . 'Rattus norvegicus' rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 6933 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 6933 _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 $Neurabin_PDZ . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6933 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6933 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Neurabin PDZ Domain' . . . 1 $Neurabin_PDZ . protein 2 . . mM . . . . 6933 1 2 'Na phosphate' . . . . . . buffer 20 . . mM . . . . 6933 1 3 NaCl . . . . . . salt 50 . . mM . . . . 6933 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6933 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Neurabin PDZ Domain' '[U-99% 15N]' . . 1 $Neurabin_PDZ . protein 3.5 . . mM . . . . 6933 2 2 'Na phosphate' . . . . . . buffer 20 . . mM . . . . 6933 2 3 NaCl . . . . . . salt 50 . . mM . . . . 6933 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6933 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Neurabin PDZ Domain' '[U-99% 15N; U-99% 13C]' . . 1 $Neurabin_PDZ . protein 3.8 . . mM . . . . 6933 3 2 'Na phosphate' . . . . . . buffer 20 . . mM . . . . 6933 3 3 NaCl . . . . . . salt 50 . . mM . . . . 6933 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6933 _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' 20 1 mM 6933 1 pH 6.5 0.1 pH 6933 1 temperature 298 0.2 K 6933 1 stop_ save_ ############################ # Computer software used # ############################ save_Cara _Software.Sf_category software _Software.Sf_framecode Cara _Software.Entry_ID 6933 _Software.ID 1 _Software.Name CARA _Software.Version 1.3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Cara . http://www.nmr.ch/ 6933 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 6933 1 stop_ save_ save_Bruker_TopSpin _Software.Sf_category software _Software.Sf_framecode Bruker_TopSpin _Software.Entry_ID 6933 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker ; Bruker BioSpin GmbH Silberstreifen 4 76287 Rheinstetten ; http://www.bruker-biospin.de/NMR/nmrsoftw/prodinfo/topspin/ 6933 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing spectra' 6933 2 stop_ save_ save_Atnos_Candid _Software.Sf_category software _Software.Sf_framecode Atnos_Candid _Software.Entry_ID 6933 _Software.ID 3 _Software.Name ATHNOS-CANDID _Software.Version 1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . http://hugin.ethz.ch/wuthrich/people/torsten/atnoscandid/ 6933 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated peak picking' 6933 3 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 6933 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE-DRX _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 6933 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6933 _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 1H15N_HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6933 1 2 CbCaCoNH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6933 1 3 HNCaCb no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6933 1 4 HbHaCoNH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6933 1 5 'HCCH Tocsy' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6933 1 6 '1H15N NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6933 1 7 HNCo no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6933 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6933 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6933 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6933 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6933 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6933 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'Backbone and sidechain H, 15N, and 13C assignments' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H15N_HSQC 1 $sample_1 isotropic 6933 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Cara . . 6933 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 HIS HA H 1 4.623 0.02 . 1 . . . . 2 HIS HA . 6933 1 2 . 1 1 2 2 HIS HB2 H 1 3.075 0.02 . 1 . . . . 2 HIS QB . 6933 1 3 . 1 1 2 2 HIS HB3 H 1 3.075 0.02 . 1 . . . . 2 HIS QB . 6933 1 4 . 1 1 2 2 HIS HD2 H 1 7.130 0.02 . 1 . . . . 2 HIS HD2 . 6933 1 5 . 1 1 2 2 HIS HE1 H 1 8.247 0.02 . 1 . . . . 2 HIS HE1 . 6933 1 6 . 1 1 2 2 HIS CA C 13 55.870 0.3 . 1 . . . . 2 HIS CA . 6933 1 7 . 1 1 2 2 HIS CB C 13 30.105 0.3 . 1 . . . . 2 HIS CB . 6933 1 8 . 1 1 3 3 MET H H 1 8.268 0.02 . 1 . . . . 3 MET H . 6933 1 9 . 1 1 3 3 MET HA H 1 4.364 0.02 . 1 . . . . 3 MET HA . 6933 1 10 . 1 1 3 3 MET HB2 H 1 1.859 0.02 . 1 . . . . 3 MET HB2 . 6933 1 11 . 1 1 3 3 MET HB3 H 1 1.813 0.02 . 1 . . . . 3 MET HB3 . 6933 1 12 . 1 1 3 3 MET HG2 H 1 2.216 0.02 . 1 . . . . 3 MET QG . 6933 1 13 . 1 1 3 3 MET HG3 H 1 2.216 0.02 . 1 . . . . 3 MET QG . 6933 1 14 . 1 1 3 3 MET C C 13 175.121 0.3 . 1 . . . . 3 MET C . 6933 1 15 . 1 1 3 3 MET CA C 13 55.605 0.3 . 1 . . . . 3 MET CA . 6933 1 16 . 1 1 3 3 MET CB C 13 33.823 0.3 . 1 . . . . 3 MET CB . 6933 1 17 . 1 1 3 3 MET CG C 13 31.698 0.3 . 1 . . . . 3 MET CG . 6933 1 18 . 1 1 3 3 MET N N 15 123.797 0.1 . 1 . . . . 3 MET N . 6933 1 19 . 1 1 4 4 GLU H H 1 8.482 0.02 . 1 . . . . 4 GLU H . 6933 1 20 . 1 1 4 4 GLU HA H 1 4.437 0.02 . 1 . . . . 4 GLU HA . 6933 1 21 . 1 1 4 4 GLU HB2 H 1 2.088 0.02 . 1 . . . . 4 GLU HB2 . 6933 1 22 . 1 1 4 4 GLU HB3 H 1 1.982 0.02 . 1 . . . . 4 GLU HB3 . 6933 1 23 . 1 1 4 4 GLU HG2 H 1 2.301 0.02 . 1 . . . . 4 GLU HG2 . 6933 1 24 . 1 1 4 4 GLU HG3 H 1 2.230 0.02 . 1 . . . . 4 GLU HG3 . 6933 1 25 . 1 1 4 4 GLU C C 13 174.789 0.3 . 1 . . . . 4 GLU C . 6933 1 26 . 1 1 4 4 GLU CA C 13 55.605 0.3 . 1 . . . . 4 GLU CA . 6933 1 27 . 1 1 4 4 GLU CB C 13 31.433 0.3 . 1 . . . . 4 GLU CB . 6933 1 28 . 1 1 4 4 GLU CG C 13 36.214 0.3 . 1 . . . . 4 GLU CG . 6933 1 29 . 1 1 4 4 GLU N N 15 126.404 0.1 . 1 . . . . 4 GLU N . 6933 1 30 . 1 1 5 5 LEU H H 1 8.173 0.02 . 1 . . . . 5 LEU H . 6933 1 31 . 1 1 5 5 LEU HA H 1 5.567 0.02 . 1 . . . . 5 LEU HA . 6933 1 32 . 1 1 5 5 LEU HB2 H 1 1.553 0.02 . 1 . . . . 5 LEU HB2 . 6933 1 33 . 1 1 5 5 LEU HB3 H 1 1.073 0.02 . 1 . . . . 5 LEU HB3 . 6933 1 34 . 1 1 5 5 LEU HG H 1 1.447 0.02 . 1 . . . . 5 LEU HG . 6933 1 35 . 1 1 5 5 LEU HD11 H 1 0.725 0.02 . 2 . . . . 5 LEU QD1 . 6933 1 36 . 1 1 5 5 LEU HD12 H 1 0.725 0.02 . 2 . . . . 5 LEU QD1 . 6933 1 37 . 1 1 5 5 LEU HD13 H 1 0.725 0.02 . 2 . . . . 5 LEU QD1 . 6933 1 38 . 1 1 5 5 LEU HD21 H 1 0.625 0.02 . 2 . . . . 5 LEU QD2 . 6933 1 39 . 1 1 5 5 LEU HD22 H 1 0.625 0.02 . 2 . . . . 5 LEU QD2 . 6933 1 40 . 1 1 5 5 LEU HD23 H 1 0.625 0.02 . 2 . . . . 5 LEU QD2 . 6933 1 41 . 1 1 5 5 LEU C C 13 177.904 0.3 . 1 . . . . 5 LEU C . 6933 1 42 . 1 1 5 5 LEU CA C 13 53.214 0.3 . 1 . . . . 5 LEU CA . 6933 1 43 . 1 1 5 5 LEU CB C 13 43.917 0.3 . 1 . . . . 5 LEU CB . 6933 1 44 . 1 1 5 5 LEU CG C 13 27.183 0.3 . 1 . . . . 5 LEU CG . 6933 1 45 . 1 1 5 5 LEU CD1 C 13 25.058 0.3 . 1 . . . . 5 LEU CD1 . 6933 1 46 . 1 1 5 5 LEU CD2 C 13 24.261 0.3 . 1 . . . . 5 LEU CD2 . 6933 1 47 . 1 1 5 5 LEU N N 15 123.516 0.1 . 1 . . . . 5 LEU N . 6933 1 48 . 1 1 6 6 PHE H H 1 9.035 0.02 . 1 . . . . 6 PHE H . 6933 1 49 . 1 1 6 6 PHE HA H 1 5.150 0.02 . 1 . . . . 6 PHE HA . 6933 1 50 . 1 1 6 6 PHE HB2 H 1 3.081 0.02 . 1 . . . . 6 PHE HB2 . 6933 1 51 . 1 1 6 6 PHE HB3 H 1 2.926 0.02 . 1 . . . . 6 PHE HB3 . 6933 1 52 . 1 1 6 6 PHE HD1 H 1 6.864 0.02 . 1 . . . . 6 PHE QD . 6933 1 53 . 1 1 6 6 PHE HD2 H 1 6.864 0.02 . 1 . . . . 6 PHE QD . 6933 1 54 . 1 1 6 6 PHE HE1 H 1 7.129 0.02 . 1 . . . . 6 PHE QE . 6933 1 55 . 1 1 6 6 PHE HE2 H 1 7.129 0.02 . 1 . . . . 6 PHE QE . 6933 1 56 . 1 1 6 6 PHE CA C 13 54.011 0.3 . 1 . . . . 6 PHE CA . 6933 1 57 . 1 1 6 6 PHE CB C 13 39.136 0.3 . 1 . . . . 6 PHE CB . 6933 1 58 . 1 1 6 6 PHE N N 15 119.924 0.1 . 1 . . . . 6 PHE N . 6933 1 59 . 1 1 7 7 PRO HA H 1 5.395 0.02 . 1 . . . . 7 PRO HA . 6933 1 60 . 1 1 7 7 PRO HB2 H 1 1.997 0.02 . 1 . . . . 7 PRO HB2 . 6933 1 61 . 1 1 7 7 PRO HB3 H 1 2.105 0.02 . 1 . . . . 7 PRO HB3 . 6933 1 62 . 1 1 7 7 PRO HG2 H 1 2.189 0.02 . 1 . . . . 7 PRO HG2 . 6933 1 63 . 1 1 7 7 PRO HG3 H 1 2.087 0.02 . 1 . . . . 7 PRO HG3 . 6933 1 64 . 1 1 7 7 PRO HD2 H 1 3.920 0.02 . 1 . . . . 7 PRO HD2 . 6933 1 65 . 1 1 7 7 PRO HD3 H 1 3.776 0.02 . 1 . . . . 7 PRO HD3 . 6933 1 66 . 1 1 7 7 PRO CA C 13 61.183 0.3 . 1 . . . . 7 PRO CA . 6933 1 67 . 1 1 7 7 PRO CB C 13 30.370 0.3 . 1 . . . . 7 PRO CB . 6933 1 68 . 1 1 7 7 PRO CG C 13 26.651 0.3 . 1 . . . . 7 PRO CG . 6933 1 69 . 1 1 7 7 PRO CD C 13 50.558 0.3 . 1 . . . . 7 PRO CD . 6933 1 70 . 1 1 8 8 VAL H H 1 8.336 0.02 . 1 . . . . 8 VAL H . 6933 1 71 . 1 1 8 8 VAL HA H 1 3.959 0.02 . 1 . . . . 8 VAL HA . 6933 1 72 . 1 1 8 8 VAL HB H 1 1.655 0.02 . 1 . . . . 8 VAL HB . 6933 1 73 . 1 1 8 8 VAL HG11 H 1 0.836 0.02 . 2 . . . . 8 VAL QG1 . 6933 1 74 . 1 1 8 8 VAL HG12 H 1 0.836 0.02 . 2 . . . . 8 VAL QG1 . 6933 1 75 . 1 1 8 8 VAL HG13 H 1 0.836 0.02 . 2 . . . . 8 VAL QG1 . 6933 1 76 . 1 1 8 8 VAL HG21 H 1 0.846 0.02 . 2 . . . . 8 VAL QG2 . 6933 1 77 . 1 1 8 8 VAL HG22 H 1 0.846 0.02 . 2 . . . . 8 VAL QG2 . 6933 1 78 . 1 1 8 8 VAL HG23 H 1 0.846 0.02 . 2 . . . . 8 VAL QG2 . 6933 1 79 . 1 1 8 8 VAL C C 13 173.569 0.3 . 1 . . . . 8 VAL C . 6933 1 80 . 1 1 8 8 VAL CA C 13 62.511 0.3 . 1 . . . . 8 VAL CA . 6933 1 81 . 1 1 8 8 VAL CB C 13 37.542 0.3 . 1 . . . . 8 VAL CB . 6933 1 82 . 1 1 8 8 VAL CG1 C 13 21.073 0.3 . 1 . . . . 8 VAL CG1 . 6933 1 83 . 1 1 8 8 VAL CG2 C 13 23.729 0.3 . 1 . . . . 8 VAL CG2 . 6933 1 84 . 1 1 8 8 VAL N N 15 119.538 0.1 . 1 . . . . 8 VAL N . 6933 1 85 . 1 1 9 9 GLU H H 1 7.525 0.02 . 1 . . . . 9 GLU H . 6933 1 86 . 1 1 9 9 GLU HA H 1 5.495 0.02 . 1 . . . . 9 GLU HA . 6933 1 87 . 1 1 9 9 GLU HB2 H 1 1.980 0.02 . 1 . . . . 9 GLU HB2 . 6933 1 88 . 1 1 9 9 GLU HG2 H 1 2.099 0.02 . 1 . . . . 9 GLU HG2 . 6933 1 89 . 1 1 9 9 GLU C C 13 174.766 0.3 . 1 . . . . 9 GLU C . 6933 1 90 . 1 1 9 9 GLU CA C 13 55.074 0.3 . 1 . . . . 9 GLU CA . 6933 1 91 . 1 1 9 9 GLU CB C 13 30.901 0.3 . 1 . . . . 9 GLU CB . 6933 1 92 . 1 1 9 9 GLU CG C 13 36.480 0.3 . 1 . . . . 9 GLU CG . 6933 1 93 . 1 1 9 9 GLU N N 15 127.013 0.1 . 1 . . . . 9 GLU N . 6933 1 94 . 1 1 10 10 LEU H H 1 8.780 0.02 . 1 . . . . 10 LEU H . 6933 1 95 . 1 1 10 10 LEU HA H 1 4.752 0.02 . 1 . . . . 10 LEU HA . 6933 1 96 . 1 1 10 10 LEU HB2 H 1 1.449 0.02 . 1 . . . . 10 LEU HB2 . 6933 1 97 . 1 1 10 10 LEU HB3 H 1 1.346 0.02 . 1 . . . . 10 LEU HB3 . 6933 1 98 . 1 1 10 10 LEU HG H 1 1.462 0.02 . 1 . . . . 10 LEU HG . 6933 1 99 . 1 1 10 10 LEU HD11 H 1 0.701 0.02 . 2 . . . . 10 LEU QD1 . 6933 1 100 . 1 1 10 10 LEU HD12 H 1 0.701 0.02 . 2 . . . . 10 LEU QD1 . 6933 1 101 . 1 1 10 10 LEU HD13 H 1 0.701 0.02 . 2 . . . . 10 LEU QD1 . 6933 1 102 . 1 1 10 10 LEU HD21 H 1 0.794 0.02 . 2 . . . . 10 LEU QD2 . 6933 1 103 . 1 1 10 10 LEU HD22 H 1 0.794 0.02 . 2 . . . . 10 LEU QD2 . 6933 1 104 . 1 1 10 10 LEU HD23 H 1 0.794 0.02 . 2 . . . . 10 LEU QD2 . 6933 1 105 . 1 1 10 10 LEU C C 13 174.612 0.3 . 1 . . . . 10 LEU C . 6933 1 106 . 1 1 10 10 LEU CA C 13 52.949 0.3 . 1 . . . . 10 LEU CA . 6933 1 107 . 1 1 10 10 LEU CB C 13 46.839 0.3 . 1 . . . . 10 LEU CB . 6933 1 108 . 1 1 10 10 LEU CG C 13 26.651 0.3 . 1 . . . . 10 LEU CG . 6933 1 109 . 1 1 10 10 LEU CD1 C 13 25.589 0.3 . 1 . . . . 10 LEU CD1 . 6933 1 110 . 1 1 10 10 LEU CD2 C 13 24.526 0.3 . 1 . . . . 10 LEU CD2 . 6933 1 111 . 1 1 10 10 LEU N N 15 122.326 0.1 . 1 . . . . 10 LEU N . 6933 1 112 . 1 1 11 11 GLU H H 1 8.423 0.02 . 1 . . . . 11 GLU H . 6933 1 113 . 1 1 11 11 GLU HA H 1 4.753 0.02 . 1 . . . . 11 GLU HA . 6933 1 114 . 1 1 11 11 GLU HB2 H 1 1.848 0.02 . 1 . . . . 11 GLU HB2 . 6933 1 115 . 1 1 11 11 GLU HB3 H 1 1.780 0.02 . 1 . . . . 11 GLU HB3 . 6933 1 116 . 1 1 11 11 GLU HG2 H 1 2.102 0.02 . 1 . . . . 11 GLU QG . 6933 1 117 . 1 1 11 11 GLU HG3 H 1 2.102 0.02 . 1 . . . . 11 GLU QG . 6933 1 118 . 1 1 11 11 GLU C C 13 175.914 0.3 . 1 . . . . 11 GLU C . 6933 1 119 . 1 1 11 11 GLU CA C 13 54.542 0.3 . 1 . . . . 11 GLU CA . 6933 1 120 . 1 1 11 11 GLU CB C 13 30.636 0.3 . 1 . . . . 11 GLU CB . 6933 1 121 . 1 1 11 11 GLU CG C 13 35.948 0.3 . 1 . . . . 11 GLU CG . 6933 1 122 . 1 1 11 11 GLU N N 15 122.842 0.1 . 1 . . . . 11 GLU N . 6933 1 123 . 1 1 12 12 LYS H H 1 8.490 0.02 . 1 . . . . 12 LYS H . 6933 1 124 . 1 1 12 12 LYS HA H 1 3.746 0.02 . 1 . . . . 12 LYS HA . 6933 1 125 . 1 1 12 12 LYS HB2 H 1 1.856 0.02 . 1 . . . . 12 LYS HB2 . 6933 1 126 . 1 1 12 12 LYS HB3 H 1 1.561 0.02 . 1 . . . . 12 LYS HB3 . 6933 1 127 . 1 1 12 12 LYS HG2 H 1 1.192 0.02 . 1 . . . . 12 LYS HG2 . 6933 1 128 . 1 1 12 12 LYS HG3 H 1 1.223 0.02 . 1 . . . . 12 LYS HG3 . 6933 1 129 . 1 1 12 12 LYS HD2 H 1 1.536 0.02 . 1 . . . . 12 LYS QD . 6933 1 130 . 1 1 12 12 LYS HD3 H 1 1.536 0.02 . 1 . . . . 12 LYS QD . 6933 1 131 . 1 1 12 12 LYS HE2 H 1 2.335 0.02 . 1 . . . . 12 LYS QE . 6933 1 132 . 1 1 12 12 LYS HE3 H 1 2.335 0.02 . 1 . . . . 12 LYS QE . 6933 1 133 . 1 1 12 12 LYS C C 13 177.111 0.3 . 1 . . . . 12 LYS C . 6933 1 134 . 1 1 12 12 LYS CA C 13 57.730 0.3 . 1 . . . . 12 LYS CA . 6933 1 135 . 1 1 12 12 LYS CB C 13 34.089 0.3 . 1 . . . . 12 LYS CB . 6933 1 136 . 1 1 12 12 LYS CG C 13 26.386 0.3 . 1 . . . . 12 LYS CG . 6933 1 137 . 1 1 12 12 LYS CD C 13 30.105 0.3 . 1 . . . . 12 LYS CD . 6933 1 138 . 1 1 12 12 LYS CE C 13 42.323 0.3 . 1 . . . . 12 LYS CE . 6933 1 139 . 1 1 12 12 LYS N N 15 124.809 0.1 . 1 . . . . 12 LYS N . 6933 1 140 . 1 1 13 13 ASP H H 1 7.448 0.02 . 1 . . . . 13 ASP H . 6933 1 141 . 1 1 13 13 ASP HA H 1 4.888 0.02 . 1 . . . . 13 ASP HA . 6933 1 142 . 1 1 13 13 ASP HB2 H 1 3.134 0.02 . 1 . . . . 13 ASP HB2 . 6933 1 143 . 1 1 13 13 ASP HB3 H 1 2.722 0.02 . 1 . . . . 13 ASP HB3 . 6933 1 144 . 1 1 13 13 ASP C C 13 178.165 0.3 . 1 . . . . 13 ASP C . 6933 1 145 . 1 1 13 13 ASP CA C 13 52.683 0.3 . 1 . . . . 13 ASP CA . 6933 1 146 . 1 1 13 13 ASP CB C 13 42.058 0.3 . 1 . . . . 13 ASP CB . 6933 1 147 . 1 1 13 13 ASP N N 15 123.425 0.1 . 1 . . . . 13 ASP N . 6933 1 148 . 1 1 14 14 GLU H H 1 8.891 0.02 . 1 . . . . 14 GLU H . 6933 1 149 . 1 1 14 14 GLU HA H 1 3.980 0.02 . 1 . . . . 14 GLU HA . 6933 1 150 . 1 1 14 14 GLU HB2 H 1 1.980 0.02 . 1 . . . . 14 GLU HB2 . 6933 1 151 . 1 1 14 14 GLU HG2 H 1 2.256 0.02 . 1 . . . . 14 GLU QG . 6933 1 152 . 1 1 14 14 GLU HG3 H 1 2.256 0.02 . 1 . . . . 14 GLU QG . 6933 1 153 . 1 1 14 14 GLU C C 13 177.371 0.3 . 1 . . . . 14 GLU C . 6933 1 154 . 1 1 14 14 GLU CA C 13 59.589 0.3 . 1 . . . . 14 GLU CA . 6933 1 155 . 1 1 14 14 GLU CB C 13 29.042 0.3 . 1 . . . . 14 GLU CB . 6933 1 156 . 1 1 14 14 GLU CG C 13 36.214 0.3 . 1 . . . . 14 GLU CG . 6933 1 157 . 1 1 14 14 GLU N N 15 119.912 0.1 . 1 . . . . 14 GLU N . 6933 1 158 . 1 1 15 15 ASP H H 1 8.301 0.02 . 1 . . . . 15 ASP H . 6933 1 159 . 1 1 15 15 ASP HA H 1 4.745 0.02 . 1 . . . . 15 ASP HA . 6933 1 160 . 1 1 15 15 ASP HB2 H 1 2.589 0.02 . 1 . . . . 15 ASP HB2 . 6933 1 161 . 1 1 15 15 ASP HB3 H 1 2.751 0.02 . 1 . . . . 15 ASP HB3 . 6933 1 162 . 1 1 15 15 ASP C C 13 176.211 0.3 . 1 . . . . 15 ASP C . 6933 1 163 . 1 1 15 15 ASP CA C 13 54.277 0.3 . 1 . . . . 15 ASP CA . 6933 1 164 . 1 1 15 15 ASP CB C 13 41.527 0.3 . 1 . . . . 15 ASP CB . 6933 1 165 . 1 1 15 15 ASP N N 15 116.718 0.1 . 1 . . . . 15 ASP N . 6933 1 166 . 1 1 16 16 GLY H H 1 7.930 0.02 . 1 . . . . 16 GLY H . 6933 1 167 . 1 1 16 16 GLY HA2 H 1 4.526 0.02 . 1 . . . . 16 GLY HA2 . 6933 1 168 . 1 1 16 16 GLY HA3 H 1 3.522 0.02 . 1 . . . . 16 GLY HA3 . 6933 1 169 . 1 1 16 16 GLY C C 13 173.913 0.3 . 1 . . . . 16 GLY C . 6933 1 170 . 1 1 16 16 GLY CA C 13 44.980 0.3 . 1 . . . . 16 GLY CA . 6933 1 171 . 1 1 16 16 GLY N N 15 108.190 0.1 . 1 . . . . 16 GLY N . 6933 1 172 . 1 1 17 17 LEU HA H 1 4.109 0.02 . 1 . . . . 17 LEU HA . 6933 1 173 . 1 1 17 17 LEU HB2 H 1 1.859 0.02 . 1 . . . . 17 LEU HB2 . 6933 1 174 . 1 1 17 17 LEU HB3 H 1 1.354 0.02 . 1 . . . . 17 LEU HB3 . 6933 1 175 . 1 1 17 17 LEU HG H 1 1.625 0.02 . 1 . . . . 17 LEU HG . 6933 1 176 . 1 1 17 17 LEU HD11 H 1 1.021 0.02 . 2 . . . . 17 LEU QD1 . 6933 1 177 . 1 1 17 17 LEU HD12 H 1 1.021 0.02 . 2 . . . . 17 LEU QD1 . 6933 1 178 . 1 1 17 17 LEU HD13 H 1 1.021 0.02 . 2 . . . . 17 LEU QD1 . 6933 1 179 . 1 1 17 17 LEU HD21 H 1 0.840 0.02 . 2 . . . . 17 LEU QD2 . 6933 1 180 . 1 1 17 17 LEU HD22 H 1 0.840 0.02 . 2 . . . . 17 LEU QD2 . 6933 1 181 . 1 1 17 17 LEU HD23 H 1 0.840 0.02 . 2 . . . . 17 LEU QD2 . 6933 1 182 . 1 1 17 17 LEU C C 13 176.933 0.3 . 1 . . . . 17 LEU C . 6933 1 183 . 1 1 17 17 LEU CA C 13 56.136 0.3 . 1 . . . . 17 LEU CA . 6933 1 184 . 1 1 17 17 LEU CB C 13 44.183 0.3 . 1 . . . . 17 LEU CB . 6933 1 185 . 1 1 17 17 LEU CG C 13 27.183 0.3 . 1 . . . . 17 LEU CG . 6933 1 186 . 1 1 17 17 LEU CD1 C 13 26.120 0.3 . 1 . . . . 17 LEU CD1 . 6933 1 187 . 1 1 17 17 LEU CD2 C 13 23.729 0.3 . 1 . . . . 17 LEU CD2 . 6933 1 188 . 1 1 17 17 LEU N N 15 123.814 0.1 . 1 . . . . 17 LEU N . 6933 1 189 . 1 1 18 18 GLY H H 1 8.734 0.02 . 1 . . . . 18 GLY H . 6933 1 190 . 1 1 18 18 GLY HA2 H 1 4.144 0.02 . 1 . . . . 18 GLY HA2 . 6933 1 191 . 1 1 18 18 GLY HA3 H 1 3.836 0.02 . 1 . . . . 18 GLY HA3 . 6933 1 192 . 1 1 18 18 GLY C C 13 176.163 0.3 . 1 . . . . 18 GLY C . 6933 1 193 . 1 1 18 18 GLY CA C 13 46.042 0.3 . 1 . . . . 18 GLY CA . 6933 1 194 . 1 1 18 18 GLY N N 15 105.157 0.1 . 1 . . . . 18 GLY N . 6933 1 195 . 1 1 19 19 ILE H H 1 7.033 0.02 . 1 . . . . 19 ILE H . 6933 1 196 . 1 1 19 19 ILE HA H 1 5.084 0.02 . 1 . . . . 19 ILE HA . 6933 1 197 . 1 1 19 19 ILE HB H 1 1.648 0.02 . 1 . . . . 19 ILE HB . 6933 1 198 . 1 1 19 19 ILE HG12 H 1 1.214 0.02 . 1 . . . . 19 ILE HG12 . 6933 1 199 . 1 1 19 19 ILE HG13 H 1 0.630 0.02 . 1 . . . . 19 ILE HG13 . 6933 1 200 . 1 1 19 19 ILE HG21 H 1 0.682 0.02 . 1 . . . . 19 ILE QG2 . 6933 1 201 . 1 1 19 19 ILE HG22 H 1 0.682 0.02 . 1 . . . . 19 ILE QG2 . 6933 1 202 . 1 1 19 19 ILE HG23 H 1 0.682 0.02 . 1 . . . . 19 ILE QG2 . 6933 1 203 . 1 1 19 19 ILE HD11 H 1 0.475 0.02 . 1 . . . . 19 ILE QD1 . 6933 1 204 . 1 1 19 19 ILE HD12 H 1 0.475 0.02 . 1 . . . . 19 ILE QD1 . 6933 1 205 . 1 1 19 19 ILE HD13 H 1 0.475 0.02 . 1 . . . . 19 ILE QD1 . 6933 1 206 . 1 1 19 19 ILE C C 13 174.777 0.3 . 1 . . . . 19 ILE C . 6933 1 207 . 1 1 19 19 ILE CA C 13 59.324 0.3 . 1 . . . . 19 ILE CA . 6933 1 208 . 1 1 19 19 ILE CB C 13 43.120 0.3 . 1 . . . . 19 ILE CB . 6933 1 209 . 1 1 19 19 ILE CG1 C 13 25.589 0.3 . 1 . . . . 19 ILE CG1 . 6933 1 210 . 1 1 19 19 ILE CG2 C 13 18.417 0.3 . 1 . . . . 19 ILE CG2 . 6933 1 211 . 1 1 19 19 ILE CD1 C 13 13.636 0.3 . 1 . . . . 19 ILE CD1 . 6933 1 212 . 1 1 19 19 ILE N N 15 111.995 0.1 . 1 . . . . 19 ILE N . 6933 1 213 . 1 1 20 20 SER H H 1 8.196 0.02 . 1 . . . . 20 SER H . 6933 1 214 . 1 1 20 20 SER HA H 1 4.912 0.02 . 1 . . . . 20 SER HA . 6933 1 215 . 1 1 20 20 SER HB2 H 1 3.850 0.02 . 1 . . . . 20 SER HB2 . 6933 1 216 . 1 1 20 20 SER HB3 H 1 3.748 0.02 . 1 . . . . 20 SER HB3 . 6933 1 217 . 1 1 20 20 SER C C 13 174.446 0.3 . 1 . . . . 20 SER C . 6933 1 218 . 1 1 20 20 SER CA C 13 56.933 0.3 . 1 . . . . 20 SER CA . 6933 1 219 . 1 1 20 20 SER CB C 13 65.699 0.3 . 1 . . . . 20 SER CB . 6933 1 220 . 1 1 20 20 SER N N 15 117.003 0.1 . 1 . . . . 20 SER N . 6933 1 221 . 1 1 21 21 ILE H H 1 8.442 0.02 . 1 . . . . 21 ILE H . 6933 1 222 . 1 1 21 21 ILE HA H 1 5.479 0.02 . 1 . . . . 21 ILE HA . 6933 1 223 . 1 1 21 21 ILE HB H 1 1.817 0.02 . 1 . . . . 21 ILE HB . 6933 1 224 . 1 1 21 21 ILE HG12 H 1 1.359 0.02 . 1 . . . . 21 ILE HG12 . 6933 1 225 . 1 1 21 21 ILE HG13 H 1 1.026 0.02 . 1 . . . . 21 ILE HG13 . 6933 1 226 . 1 1 21 21 ILE HG21 H 1 0.556 0.02 . 1 . . . . 21 ILE QG2 . 6933 1 227 . 1 1 21 21 ILE HG22 H 1 0.556 0.02 . 1 . . . . 21 ILE QG2 . 6933 1 228 . 1 1 21 21 ILE HG23 H 1 0.556 0.02 . 1 . . . . 21 ILE QG2 . 6933 1 229 . 1 1 21 21 ILE HD11 H 1 0.707 0.02 . 1 . . . . 21 ILE QD1 . 6933 1 230 . 1 1 21 21 ILE HD12 H 1 0.707 0.02 . 1 . . . . 21 ILE QD1 . 6933 1 231 . 1 1 21 21 ILE HD13 H 1 0.707 0.02 . 1 . . . . 21 ILE QD1 . 6933 1 232 . 1 1 21 21 ILE C C 13 174.683 0.3 . 1 . . . . 21 ILE C . 6933 1 233 . 1 1 21 21 ILE CA C 13 59.589 0.3 . 1 . . . . 21 ILE CA . 6933 1 234 . 1 1 21 21 ILE CB C 13 42.589 0.3 . 1 . . . . 21 ILE CB . 6933 1 235 . 1 1 21 21 ILE CG1 C 13 25.589 0.3 . 1 . . . . 21 ILE CG1 . 6933 1 236 . 1 1 21 21 ILE CG2 C 13 18.948 0.3 . 1 . . . . 21 ILE CG2 . 6933 1 237 . 1 1 21 21 ILE CD1 C 13 14.964 0.3 . 1 . . . . 21 ILE CD1 . 6933 1 238 . 1 1 21 21 ILE N N 15 115.492 0.1 . 1 . . . . 21 ILE N . 6933 1 239 . 1 1 22 22 ILE H H 1 8.997 0.02 . 1 . . . . 22 ILE H . 6933 1 240 . 1 1 22 22 ILE HA H 1 4.530 0.02 . 1 . . . . 22 ILE HA . 6933 1 241 . 1 1 22 22 ILE HB H 1 1.685 0.02 . 1 . . . . 22 ILE HB . 6933 1 242 . 1 1 22 22 ILE HG12 H 1 1.572 0.02 . 1 . . . . 22 ILE HG12 . 6933 1 243 . 1 1 22 22 ILE HG13 H 1 1.172 0.02 . 1 . . . . 22 ILE HG13 . 6933 1 244 . 1 1 22 22 ILE HG21 H 1 0.853 0.02 . 1 . . . . 22 ILE QG2 . 6933 1 245 . 1 1 22 22 ILE HG22 H 1 0.853 0.02 . 1 . . . . 22 ILE QG2 . 6933 1 246 . 1 1 22 22 ILE HG23 H 1 0.853 0.02 . 1 . . . . 22 ILE QG2 . 6933 1 247 . 1 1 22 22 ILE HD11 H 1 0.908 0.02 . 1 . . . . 22 ILE QD1 . 6933 1 248 . 1 1 22 22 ILE HD12 H 1 0.908 0.02 . 1 . . . . 22 ILE QD1 . 6933 1 249 . 1 1 22 22 ILE HD13 H 1 0.908 0.02 . 1 . . . . 22 ILE QD1 . 6933 1 250 . 1 1 22 22 ILE C C 13 173.403 0.3 . 1 . . . . 22 ILE C . 6933 1 251 . 1 1 22 22 ILE CA C 13 59.589 0.3 . 1 . . . . 22 ILE CA . 6933 1 252 . 1 1 22 22 ILE CB C 13 42.589 0.3 . 1 . . . . 22 ILE CB . 6933 1 253 . 1 1 22 22 ILE CG1 C 13 28.245 0.3 . 1 . . . . 22 ILE CG1 . 6933 1 254 . 1 1 22 22 ILE CG2 C 13 16.823 0.3 . 1 . . . . 22 ILE CG2 . 6933 1 255 . 1 1 22 22 ILE CD1 C 13 14.433 0.3 . 1 . . . . 22 ILE CD1 . 6933 1 256 . 1 1 22 22 ILE N N 15 118.331 0.1 . 1 . . . . 22 ILE N . 6933 1 257 . 1 1 23 23 GLY H H 1 8.420 0.02 . 1 . . . . 23 GLY H . 6933 1 258 . 1 1 23 23 GLY HA2 H 1 5.387 0.02 . 1 . . . . 23 GLY HA2 . 6933 1 259 . 1 1 23 23 GLY HA3 H 1 3.477 0.02 . 1 . . . . 23 GLY HA3 . 6933 1 260 . 1 1 23 23 GLY C C 13 173.214 0.3 . 1 . . . . 23 GLY C . 6933 1 261 . 1 1 23 23 GLY CA C 13 44.714 0.3 . 1 . . . . 23 GLY CA . 6933 1 262 . 1 1 23 23 GLY N N 15 112.955 0.1 . 1 . . . . 23 GLY N . 6933 1 263 . 1 1 24 24 MET H H 1 8.867 0.02 . 1 . . . . 24 MET H . 6933 1 264 . 1 1 24 24 MET HA H 1 4.741 0.02 . 1 . . . . 24 MET HA . 6933 1 265 . 1 1 24 24 MET HB2 H 1 1.993 0.02 . 1 . . . . 24 MET QB . 6933 1 266 . 1 1 24 24 MET HB3 H 1 1.993 0.02 . 1 . . . . 24 MET QB . 6933 1 267 . 1 1 24 24 MET HG2 H 1 2.347 0.02 . 1 . . . . 24 MET HG2 . 6933 1 268 . 1 1 24 24 MET HG3 H 1 2.261 0.02 . 1 . . . . 24 MET HG3 . 6933 1 269 . 1 1 24 24 MET C C 13 175.121 0.3 . 1 . . . . 24 MET C . 6933 1 270 . 1 1 24 24 MET CA C 13 54.808 0.3 . 1 . . . . 24 MET CA . 6933 1 271 . 1 1 24 24 MET CB C 13 35.683 0.3 . 1 . . . . 24 MET CB . 6933 1 272 . 1 1 24 24 MET CG C 13 31.698 0.3 . 1 . . . . 24 MET CG . 6933 1 273 . 1 1 24 24 MET N N 15 121.909 0.1 . 1 . . . . 24 MET N . 6933 1 274 . 1 1 25 25 GLY H H 1 8.640 0.02 . 1 . . . . 25 GLY H . 6933 1 275 . 1 1 25 25 GLY HA2 H 1 4.282 0.02 . 1 . . . . 25 GLY HA2 . 6933 1 276 . 1 1 25 25 GLY HA3 H 1 3.744 0.02 . 1 . . . . 25 GLY HA3 . 6933 1 277 . 1 1 25 25 GLY C C 13 173.652 0.3 . 1 . . . . 25 GLY C . 6933 1 278 . 1 1 25 25 GLY CA C 13 45.245 0.3 . 1 . . . . 25 GLY CA . 6933 1 279 . 1 1 25 25 GLY N N 15 110.690 0.1 . 1 . . . . 25 GLY N . 6933 1 280 . 1 1 26 26 VAL H H 1 8.362 0.02 . 1 . . . . 26 VAL H . 6933 1 281 . 1 1 26 26 VAL HA H 1 4.285 0.02 . 1 . . . . 26 VAL HA . 6933 1 282 . 1 1 26 26 VAL HB H 1 2.107 0.02 . 1 . . . . 26 VAL HB . 6933 1 283 . 1 1 26 26 VAL HG11 H 1 0.899 0.02 . 2 . . . . 26 VAL QG1 . 6933 1 284 . 1 1 26 26 VAL HG12 H 1 0.899 0.02 . 2 . . . . 26 VAL QG1 . 6933 1 285 . 1 1 26 26 VAL HG13 H 1 0.899 0.02 . 2 . . . . 26 VAL QG1 . 6933 1 286 . 1 1 26 26 VAL HG21 H 1 0.845 0.02 . 2 . . . . 26 VAL QG2 . 6933 1 287 . 1 1 26 26 VAL HG22 H 1 0.845 0.02 . 2 . . . . 26 VAL QG2 . 6933 1 288 . 1 1 26 26 VAL HG23 H 1 0.845 0.02 . 2 . . . . 26 VAL QG2 . 6933 1 289 . 1 1 26 26 VAL C C 13 176.341 0.3 . 1 . . . . 26 VAL C . 6933 1 290 . 1 1 26 26 VAL CA C 13 61.449 0.3 . 1 . . . . 26 VAL CA . 6933 1 291 . 1 1 26 26 VAL CB C 13 33.292 0.3 . 1 . . . . 26 VAL CB . 6933 1 292 . 1 1 26 26 VAL CG1 C 13 21.339 0.3 . 1 . . . . 26 VAL CG1 . 6933 1 293 . 1 1 26 26 VAL CG2 C 13 20.011 0.3 . 1 . . . . 26 VAL CG2 . 6933 1 294 . 1 1 26 26 VAL N N 15 119.643 0.1 . 1 . . . . 26 VAL N . 6933 1 295 . 1 1 27 27 GLY H H 1 8.441 0.02 . 1 . . . . 27 GLY H . 6933 1 296 . 1 1 27 27 GLY HA2 H 1 4.001 0.02 . 1 . . . . 27 GLY HA2 . 6933 1 297 . 1 1 27 27 GLY HA3 H 1 3.861 0.02 . 1 . . . . 27 GLY HA3 . 6933 1 298 . 1 1 27 27 GLY C C 13 174.090 0.3 . 1 . . . . 27 GLY C . 6933 1 299 . 1 1 27 27 GLY CA C 13 44.980 0.3 . 1 . . . . 27 GLY CA . 6933 1 300 . 1 1 27 27 GLY N N 15 112.467 0.1 . 1 . . . . 27 GLY N . 6933 1 301 . 1 1 28 28 ALA H H 1 8.311 0.02 . 1 . . . . 28 ALA H . 6933 1 302 . 1 1 28 28 ALA HA H 1 4.247 0.02 . 1 . . . . 28 ALA HA . 6933 1 303 . 1 1 28 28 ALA HB1 H 1 1.308 0.02 . 1 . . . . 28 ALA QB . 6933 1 304 . 1 1 28 28 ALA HB2 H 1 1.308 0.02 . 1 . . . . 28 ALA QB . 6933 1 305 . 1 1 28 28 ALA HB3 H 1 1.308 0.02 . 1 . . . . 28 ALA QB . 6933 1 306 . 1 1 28 28 ALA C C 13 177.727 0.3 . 1 . . . . 28 ALA C . 6933 1 307 . 1 1 28 28 ALA CA C 13 52.949 0.3 . 1 . . . . 28 ALA CA . 6933 1 308 . 1 1 28 28 ALA CB C 13 18.948 0.3 . 1 . . . . 28 ALA CB . 6933 1 309 . 1 1 28 28 ALA N N 15 124.012 0.1 . 1 . . . . 28 ALA N . 6933 1 310 . 1 1 29 29 ASP H H 1 8.222 0.02 . 1 . . . . 29 ASP H . 6933 1 311 . 1 1 29 29 ASP HA H 1 4.478 0.02 . 1 . . . . 29 ASP HA . 6933 1 312 . 1 1 29 29 ASP HB2 H 1 2.629 0.02 . 1 . . . . 29 ASP HB2 . 6933 1 313 . 1 1 29 29 ASP HB3 H 1 2.538 0.02 . 1 . . . . 29 ASP HB3 . 6933 1 314 . 1 1 29 29 ASP C C 13 176.009 0.3 . 1 . . . . 29 ASP C . 6933 1 315 . 1 1 29 29 ASP CA C 13 54.542 0.3 . 1 . . . . 29 ASP CA . 6933 1 316 . 1 1 29 29 ASP CB C 13 40.995 0.3 . 1 . . . . 29 ASP CB . 6933 1 317 . 1 1 29 29 ASP N N 15 118.289 0.1 . 1 . . . . 29 ASP N . 6933 1 318 . 1 1 30 30 ALA H H 1 8.038 0.02 . 1 . . . . 30 ALA H . 6933 1 319 . 1 1 30 30 ALA HA H 1 4.182 0.02 . 1 . . . . 30 ALA HA . 6933 1 320 . 1 1 30 30 ALA HB1 H 1 1.316 0.02 . 1 . . . . 30 ALA QB . 6933 1 321 . 1 1 30 30 ALA HB2 H 1 1.316 0.02 . 1 . . . . 30 ALA QB . 6933 1 322 . 1 1 30 30 ALA HB3 H 1 1.316 0.02 . 1 . . . . 30 ALA QB . 6933 1 323 . 1 1 30 30 ALA C C 13 177.987 0.3 . 1 . . . . 30 ALA C . 6933 1 324 . 1 1 30 30 ALA CA C 13 52.949 0.3 . 1 . . . . 30 ALA CA . 6933 1 325 . 1 1 30 30 ALA CB C 13 18.417 0.3 . 1 . . . . 30 ALA CB . 6933 1 326 . 1 1 30 30 ALA N N 15 123.836 0.1 . 1 . . . . 30 ALA N . 6933 1 327 . 1 1 31 31 GLY H H 1 8.214 0.02 . 1 . . . . 31 GLY H . 6933 1 328 . 1 1 31 31 GLY HA2 H 1 3.994 0.02 . 1 . . . . 31 GLY HA2 . 6933 1 329 . 1 1 31 31 GLY HA3 H 1 3.842 0.02 . 1 . . . . 31 GLY HA3 . 6933 1 330 . 1 1 31 31 GLY C C 13 174.090 0.3 . 1 . . . . 31 GLY C . 6933 1 331 . 1 1 31 31 GLY CA C 13 45.245 0.3 . 1 . . . . 31 GLY CA . 6933 1 332 . 1 1 31 31 GLY N N 15 107.403 0.1 . 1 . . . . 31 GLY N . 6933 1 333 . 1 1 32 32 LEU H H 1 7.813 0.02 . 1 . . . . 32 LEU H . 6933 1 334 . 1 1 32 32 LEU HA H 1 4.294 0.02 . 1 . . . . 32 LEU HA . 6933 1 335 . 1 1 32 32 LEU HB2 H 1 1.621 0.02 . 1 . . . . 32 LEU HB2 . 6933 1 336 . 1 1 32 32 LEU HB3 H 1 1.541 0.02 . 1 . . . . 32 LEU HB3 . 6933 1 337 . 1 1 32 32 LEU HG H 1 1.533 0.02 . 1 . . . . 32 LEU HG . 6933 1 338 . 1 1 32 32 LEU HD11 H 1 0.844 0.02 . 2 . . . . 32 LEU QD1 . 6933 1 339 . 1 1 32 32 LEU HD12 H 1 0.844 0.02 . 2 . . . . 32 LEU QD1 . 6933 1 340 . 1 1 32 32 LEU HD13 H 1 0.844 0.02 . 2 . . . . 32 LEU QD1 . 6933 1 341 . 1 1 32 32 LEU HD21 H 1 0.790 0.02 . 2 . . . . 32 LEU QD2 . 6933 1 342 . 1 1 32 32 LEU HD22 H 1 0.790 0.02 . 2 . . . . 32 LEU QD2 . 6933 1 343 . 1 1 32 32 LEU HD23 H 1 0.790 0.02 . 2 . . . . 32 LEU QD2 . 6933 1 344 . 1 1 32 32 LEU C C 13 176.779 0.3 . 1 . . . . 32 LEU C . 6933 1 345 . 1 1 32 32 LEU CA C 13 55.339 0.3 . 1 . . . . 32 LEU CA . 6933 1 346 . 1 1 32 32 LEU CB C 13 42.589 0.3 . 1 . . . . 32 LEU CB . 6933 1 347 . 1 1 32 32 LEU CG C 13 26.651 0.3 . 1 . . . . 32 LEU CG . 6933 1 348 . 1 1 32 32 LEU CD1 C 13 24.792 0.3 . 1 . . . . 32 LEU CD1 . 6933 1 349 . 1 1 32 32 LEU CD2 C 13 23.464 0.3 . 1 . . . . 32 LEU CD2 . 6933 1 350 . 1 1 32 32 LEU N N 15 121.174 0.1 . 1 . . . . 32 LEU N . 6933 1 351 . 1 1 33 33 GLU H H 1 8.339 0.02 . 1 . . . . 33 GLU H . 6933 1 352 . 1 1 33 33 GLU HA H 1 4.165 0.02 . 1 . . . . 33 GLU HA . 6933 1 353 . 1 1 33 33 GLU HB2 H 1 1.914 0.02 . 1 . . . . 33 GLU HB2 . 6933 1 354 . 1 1 33 33 GLU HB3 H 1 1.839 0.02 . 1 . . . . 33 GLU HB3 . 6933 1 355 . 1 1 33 33 GLU HG2 H 1 2.083 0.02 . 1 . . . . 33 GLU HG2 . 6933 1 356 . 1 1 33 33 GLU HG3 H 1 2.133 0.02 . 1 . . . . 33 GLU HG3 . 6933 1 357 . 1 1 33 33 GLU C C 13 175.642 0.3 . 1 . . . . 33 GLU C . 6933 1 358 . 1 1 33 33 GLU CA C 13 56.667 0.3 . 1 . . . . 33 GLU CA . 6933 1 359 . 1 1 33 33 GLU CB C 13 30.105 0.3 . 1 . . . . 33 GLU CB . 6933 1 360 . 1 1 33 33 GLU CG C 13 36.480 0.3 . 1 . . . . 33 GLU CG . 6933 1 361 . 1 1 33 33 GLU N N 15 120.741 0.1 . 1 . . . . 33 GLU N . 6933 1 362 . 1 1 34 34 LYS H H 1 8.058 0.02 . 1 . . . . 34 LYS H . 6933 1 363 . 1 1 34 34 LYS HA H 1 4.290 0.02 . 1 . . . . 34 LYS HA . 6933 1 364 . 1 1 34 34 LYS HB2 H 1 1.612 0.02 . 1 . . . . 34 LYS HB2 . 6933 1 365 . 1 1 34 34 LYS HB3 H 1 1.539 0.02 . 1 . . . . 34 LYS HB3 . 6933 1 366 . 1 1 34 34 LYS HG2 H 1 1.228 0.02 . 1 . . . . 34 LYS HG2 . 6933 1 367 . 1 1 34 34 LYS HG3 H 1 1.289 0.02 . 1 . . . . 34 LYS HG3 . 6933 1 368 . 1 1 34 34 LYS HD2 H 1 1.533 0.02 . 1 . . . . 34 LYS QD . 6933 1 369 . 1 1 34 34 LYS HD3 H 1 1.533 0.02 . 1 . . . . 34 LYS QD . 6933 1 370 . 1 1 34 34 LYS HE2 H 1 2.835 0.02 . 1 . . . . 34 LYS QE . 6933 1 371 . 1 1 34 34 LYS HE3 H 1 2.835 0.02 . 1 . . . . 34 LYS QE . 6933 1 372 . 1 1 34 34 LYS C C 13 175.216 0.3 . 1 . . . . 34 LYS C . 6933 1 373 . 1 1 34 34 LYS CA C 13 55.074 0.3 . 1 . . . . 34 LYS CA . 6933 1 374 . 1 1 34 34 LYS CB C 13 33.558 0.3 . 1 . . . . 34 LYS CB . 6933 1 375 . 1 1 34 34 LYS CG C 13 24.792 0.3 . 1 . . . . 34 LYS CG . 6933 1 376 . 1 1 34 34 LYS CD C 13 29.042 0.3 . 1 . . . . 34 LYS CD . 6933 1 377 . 1 1 34 34 LYS CE C 13 42.323 0.3 . 1 . . . . 34 LYS CE . 6933 1 378 . 1 1 34 34 LYS N N 15 122.449 0.1 . 1 . . . . 34 LYS N . 6933 1 379 . 1 1 35 35 LEU H H 1 8.333 0.02 . 1 . . . . 35 LEU H . 6933 1 380 . 1 1 35 35 LEU HA H 1 4.624 0.02 . 1 . . . . 35 LEU HA . 6933 1 381 . 1 1 35 35 LEU HB2 H 1 1.558 0.02 . 1 . . . . 35 LEU QB . 6933 1 382 . 1 1 35 35 LEU HB3 H 1 1.558 0.02 . 1 . . . . 35 LEU QB . 6933 1 383 . 1 1 35 35 LEU HG H 1 1.563 0.02 . 1 . . . . 35 LEU HG . 6933 1 384 . 1 1 35 35 LEU HD11 H 1 1.151 0.02 . 2 . . . . 35 LEU QD1 . 6933 1 385 . 1 1 35 35 LEU HD12 H 1 1.151 0.02 . 2 . . . . 35 LEU QD1 . 6933 1 386 . 1 1 35 35 LEU HD13 H 1 1.151 0.02 . 2 . . . . 35 LEU QD1 . 6933 1 387 . 1 1 35 35 LEU HD21 H 1 0.680 0.02 . 2 . . . . 35 LEU QD2 . 6933 1 388 . 1 1 35 35 LEU HD22 H 1 0.680 0.02 . 2 . . . . 35 LEU QD2 . 6933 1 389 . 1 1 35 35 LEU HD23 H 1 0.680 0.02 . 2 . . . . 35 LEU QD2 . 6933 1 390 . 1 1 35 35 LEU C C 13 177.549 0.3 . 1 . . . . 35 LEU C . 6933 1 391 . 1 1 35 35 LEU CA C 13 55.074 0.3 . 1 . . . . 35 LEU CA . 6933 1 392 . 1 1 35 35 LEU CB C 13 43.120 0.3 . 1 . . . . 35 LEU CB . 6933 1 393 . 1 1 35 35 LEU CG C 13 26.917 0.3 . 1 . . . . 35 LEU CG . 6933 1 394 . 1 1 35 35 LEU CD1 C 13 25.323 0.3 . 1 . . . . 35 LEU CD1 . 6933 1 395 . 1 1 35 35 LEU CD2 C 13 23.198 0.3 . 1 . . . . 35 LEU CD2 . 6933 1 396 . 1 1 35 35 LEU N N 15 123.483 0.1 . 1 . . . . 35 LEU N . 6933 1 397 . 1 1 36 36 GLY H H 1 8.560 0.02 . 1 . . . . 36 GLY H . 6933 1 398 . 1 1 36 36 GLY HA2 H 1 4.444 0.02 . 1 . . . . 36 GLY HA2 . 6933 1 399 . 1 1 36 36 GLY HA3 H 1 3.554 0.02 . 1 . . . . 36 GLY HA3 . 6933 1 400 . 1 1 36 36 GLY C C 13 171.224 0.3 . 1 . . . . 36 GLY C . 6933 1 401 . 1 1 36 36 GLY CA C 13 43.917 0.3 . 1 . . . . 36 GLY CA . 6933 1 402 . 1 1 36 36 GLY N N 15 108.730 0.1 . 1 . . . . 36 GLY N . 6933 1 403 . 1 1 37 37 ILE H H 1 8.696 0.02 . 1 . . . . 37 ILE H . 6933 1 404 . 1 1 37 37 ILE HA H 1 4.690 0.02 . 1 . . . . 37 ILE HA . 6933 1 405 . 1 1 37 37 ILE HB H 1 2.136 0.02 . 1 . . . . 37 ILE HB . 6933 1 406 . 1 1 37 37 ILE HG12 H 1 1.824 0.02 . 1 . . . . 37 ILE HG12 . 6933 1 407 . 1 1 37 37 ILE HG13 H 1 1.095 0.02 . 1 . . . . 37 ILE HG13 . 6933 1 408 . 1 1 37 37 ILE HG21 H 1 0.680 0.02 . 1 . . . . 37 ILE QG2 . 6933 1 409 . 1 1 37 37 ILE HG22 H 1 0.680 0.02 . 1 . . . . 37 ILE QG2 . 6933 1 410 . 1 1 37 37 ILE HG23 H 1 0.680 0.02 . 1 . . . . 37 ILE QG2 . 6933 1 411 . 1 1 37 37 ILE HD11 H 1 0.550 0.02 . 1 . . . . 37 ILE QD1 . 6933 1 412 . 1 1 37 37 ILE HD12 H 1 0.550 0.02 . 1 . . . . 37 ILE QD1 . 6933 1 413 . 1 1 37 37 ILE HD13 H 1 0.550 0.02 . 1 . . . . 37 ILE QD1 . 6933 1 414 . 1 1 37 37 ILE C C 13 173.913 0.3 . 1 . . . . 37 ILE C . 6933 1 415 . 1 1 37 37 ILE CA C 13 57.464 0.3 . 1 . . . . 37 ILE CA . 6933 1 416 . 1 1 37 37 ILE CB C 13 35.683 0.3 . 1 . . . . 37 ILE CB . 6933 1 417 . 1 1 37 37 ILE CG1 C 13 26.386 0.3 . 1 . . . . 37 ILE CG1 . 6933 1 418 . 1 1 37 37 ILE CG2 C 13 18.151 0.3 . 1 . . . . 37 ILE CG2 . 6933 1 419 . 1 1 37 37 ILE CD1 C 13 8.323 0.3 . 1 . . . . 37 ILE CD1 . 6933 1 420 . 1 1 37 37 ILE N N 15 122.115 0.1 . 1 . . . . 37 ILE N . 6933 1 421 . 1 1 38 38 PHE H H 1 9.024 0.02 . 1 . . . . 38 PHE H . 6933 1 422 . 1 1 38 38 PHE HA H 1 5.345 0.02 . 1 . . . . 38 PHE HA . 6933 1 423 . 1 1 38 38 PHE HB2 H 1 2.673 0.02 . 1 . . . . 38 PHE HB2 . 6933 1 424 . 1 1 38 38 PHE HB3 H 1 2.609 0.02 . 1 . . . . 38 PHE HB3 . 6933 1 425 . 1 1 38 38 PHE HD1 H 1 7.032 0.02 . 1 . . . . 38 PHE QD . 6933 1 426 . 1 1 38 38 PHE HD2 H 1 7.032 0.02 . 1 . . . . 38 PHE QD . 6933 1 427 . 1 1 38 38 PHE HE1 H 1 7.153 0.02 . 1 . . . . 38 PHE QE . 6933 1 428 . 1 1 38 38 PHE HE2 H 1 7.153 0.02 . 1 . . . . 38 PHE QE . 6933 1 429 . 1 1 38 38 PHE C C 13 175.488 0.3 . 1 . . . . 38 PHE C . 6933 1 430 . 1 1 38 38 PHE CA C 13 55.339 0.3 . 1 . . . . 38 PHE CA . 6933 1 431 . 1 1 38 38 PHE CB C 13 43.120 0.3 . 1 . . . . 38 PHE CB . 6933 1 432 . 1 1 38 38 PHE N N 15 124.522 0.1 . 1 . . . . 38 PHE N . 6933 1 433 . 1 1 39 39 VAL H H 1 8.934 0.02 . 1 . . . . 39 VAL H . 6933 1 434 . 1 1 39 39 VAL HA H 1 3.813 0.02 . 1 . . . . 39 VAL HA . 6933 1 435 . 1 1 39 39 VAL HB H 1 2.161 0.02 . 1 . . . . 39 VAL HB . 6933 1 436 . 1 1 39 39 VAL HG11 H 1 0.605 0.02 . 2 . . . . 39 VAL QG1 . 6933 1 437 . 1 1 39 39 VAL HG12 H 1 0.605 0.02 . 2 . . . . 39 VAL QG1 . 6933 1 438 . 1 1 39 39 VAL HG13 H 1 0.605 0.02 . 2 . . . . 39 VAL QG1 . 6933 1 439 . 1 1 39 39 VAL HG21 H 1 0.698 0.02 . 2 . . . . 39 VAL QG2 . 6933 1 440 . 1 1 39 39 VAL HG22 H 1 0.698 0.02 . 2 . . . . 39 VAL QG2 . 6933 1 441 . 1 1 39 39 VAL HG23 H 1 0.698 0.02 . 2 . . . . 39 VAL QG2 . 6933 1 442 . 1 1 39 39 VAL C C 13 175.737 0.3 . 1 . . . . 39 VAL C . 6933 1 443 . 1 1 39 39 VAL CA C 13 63.839 0.3 . 1 . . . . 39 VAL CA . 6933 1 444 . 1 1 39 39 VAL CB C 13 31.698 0.3 . 1 . . . . 39 VAL CB . 6933 1 445 . 1 1 39 39 VAL CG1 C 13 22.401 0.3 . 1 . . . . 39 VAL CG1 . 6933 1 446 . 1 1 39 39 VAL CG2 C 13 21.073 0.3 . 1 . . . . 39 VAL CG2 . 6933 1 447 . 1 1 39 39 VAL N N 15 120.420 0.1 . 1 . . . . 39 VAL N . 6933 1 448 . 1 1 40 40 LYS H H 1 9.243 0.02 . 1 . . . . 40 LYS H . 6933 1 449 . 1 1 40 40 LYS HA H 1 4.344 0.02 . 1 . . . . 40 LYS HA . 6933 1 450 . 1 1 40 40 LYS HB2 H 1 1.688 0.02 . 1 . . . . 40 LYS QB . 6933 1 451 . 1 1 40 40 LYS HB3 H 1 1.688 0.02 . 1 . . . . 40 LYS QB . 6933 1 452 . 1 1 40 40 LYS HG2 H 1 1.316 0.02 . 1 . . . . 40 LYS QG . 6933 1 453 . 1 1 40 40 LYS HG3 H 1 1.316 0.02 . 1 . . . . 40 LYS QG . 6933 1 454 . 1 1 40 40 LYS HD2 H 1 1.474 0.02 . 1 . . . . 40 LYS QD . 6933 1 455 . 1 1 40 40 LYS HD3 H 1 1.474 0.02 . 1 . . . . 40 LYS QD . 6933 1 456 . 1 1 40 40 LYS HE2 H 1 2.871 0.02 . 1 . . . . 40 LYS QE . 6933 1 457 . 1 1 40 40 LYS HE3 H 1 2.871 0.02 . 1 . . . . 40 LYS QE . 6933 1 458 . 1 1 40 40 LYS C C 13 175.381 0.3 . 1 . . . . 40 LYS C . 6933 1 459 . 1 1 40 40 LYS CA C 13 57.199 0.3 . 1 . . . . 40 LYS CA . 6933 1 460 . 1 1 40 40 LYS CB C 13 33.558 0.3 . 1 . . . . 40 LYS CB . 6933 1 461 . 1 1 40 40 LYS CG C 13 24.526 0.3 . 1 . . . . 40 LYS CG . 6933 1 462 . 1 1 40 40 LYS CD C 13 29.308 0.3 . 1 . . . . 40 LYS CD . 6933 1 463 . 1 1 40 40 LYS CE C 13 42.058 0.3 . 1 . . . . 40 LYS CE . 6933 1 464 . 1 1 40 40 LYS N N 15 133.516 0.1 . 1 . . . . 40 LYS N . 6933 1 465 . 1 1 41 41 THR H H 1 7.142 0.02 . 1 . . . . 41 THR H . 6933 1 466 . 1 1 41 41 THR HA H 1 4.443 0.02 . 1 . . . . 41 THR HA . 6933 1 467 . 1 1 41 41 THR HB H 1 3.842 0.02 . 1 . . . . 41 THR HB . 6933 1 468 . 1 1 41 41 THR HG21 H 1 1.000 0.02 . 1 . . . . 41 THR QG2 . 6933 1 469 . 1 1 41 41 THR HG22 H 1 1.000 0.02 . 1 . . . . 41 THR QG2 . 6933 1 470 . 1 1 41 41 THR HG23 H 1 1.000 0.02 . 1 . . . . 41 THR QG2 . 6933 1 471 . 1 1 41 41 THR C C 13 171.899 0.3 . 1 . . . . 41 THR C . 6933 1 472 . 1 1 41 41 THR CA C 13 60.386 0.3 . 1 . . . . 41 THR CA . 6933 1 473 . 1 1 41 41 THR CB C 13 72.605 0.3 . 1 . . . . 41 THR CB . 6933 1 474 . 1 1 41 41 THR CG2 C 13 22.401 0.3 . 1 . . . . 41 THR CG2 . 6933 1 475 . 1 1 41 41 THR N N 15 107.093 0.1 . 1 . . . . 41 THR N . 6933 1 476 . 1 1 42 42 VAL H H 1 8.295 0.02 . 1 . . . . 42 VAL H . 6933 1 477 . 1 1 42 42 VAL HA H 1 4.365 0.02 . 1 . . . . 42 VAL HA . 6933 1 478 . 1 1 42 42 VAL HB H 1 1.818 0.02 . 1 . . . . 42 VAL HB . 6933 1 479 . 1 1 42 42 VAL HG11 H 1 0.718 0.02 . 2 . . . . 42 VAL QG1 . 6933 1 480 . 1 1 42 42 VAL HG12 H 1 0.718 0.02 . 2 . . . . 42 VAL QG1 . 6933 1 481 . 1 1 42 42 VAL HG13 H 1 0.718 0.02 . 2 . . . . 42 VAL QG1 . 6933 1 482 . 1 1 42 42 VAL HG21 H 1 0.617 0.02 . 2 . . . . 42 VAL QG2 . 6933 1 483 . 1 1 42 42 VAL HG22 H 1 0.617 0.02 . 2 . . . . 42 VAL QG2 . 6933 1 484 . 1 1 42 42 VAL HG23 H 1 0.617 0.02 . 2 . . . . 42 VAL QG2 . 6933 1 485 . 1 1 42 42 VAL C C 13 175.464 0.3 . 1 . . . . 42 VAL C . 6933 1 486 . 1 1 42 42 VAL CA C 13 61.449 0.3 . 1 . . . . 42 VAL CA . 6933 1 487 . 1 1 42 42 VAL CB C 13 33.292 0.3 . 1 . . . . 42 VAL CB . 6933 1 488 . 1 1 42 42 VAL CG1 C 13 21.604 0.3 . 1 . . . . 42 VAL CG1 . 6933 1 489 . 1 1 42 42 VAL CG2 C 13 21.073 0.3 . 1 . . . . 42 VAL CG2 . 6933 1 490 . 1 1 42 42 VAL N N 15 121.662 0.1 . 1 . . . . 42 VAL N . 6933 1 491 . 1 1 43 43 THR H H 1 7.926 0.02 . 1 . . . . 43 THR H . 6933 1 492 . 1 1 43 43 THR HA H 1 3.819 0.02 . 1 . . . . 43 THR HA . 6933 1 493 . 1 1 43 43 THR HB H 1 3.716 0.02 . 1 . . . . 43 THR HB . 6933 1 494 . 1 1 43 43 THR HG21 H 1 1.128 0.02 . 1 . . . . 43 THR QG2 . 6933 1 495 . 1 1 43 43 THR HG22 H 1 1.128 0.02 . 1 . . . . 43 THR QG2 . 6933 1 496 . 1 1 43 43 THR HG23 H 1 1.128 0.02 . 1 . . . . 43 THR QG2 . 6933 1 497 . 1 1 43 43 THR C C 13 175.559 0.3 . 1 . . . . 43 THR C . 6933 1 498 . 1 1 43 43 THR CA C 13 63.574 0.3 . 1 . . . . 43 THR CA . 6933 1 499 . 1 1 43 43 THR CB C 13 69.418 0.3 . 1 . . . . 43 THR CB . 6933 1 500 . 1 1 43 43 THR CG2 C 13 22.136 0.3 . 1 . . . . 43 THR CG2 . 6933 1 501 . 1 1 43 43 THR N N 15 123.233 0.1 . 1 . . . . 43 THR N . 6933 1 502 . 1 1 44 44 GLU H H 1 9.230 0.02 . 1 . . . . 44 GLU H . 6933 1 503 . 1 1 44 44 GLU HA H 1 3.852 0.02 . 1 . . . . 44 GLU HA . 6933 1 504 . 1 1 44 44 GLU HB2 H 1 1.885 0.02 . 1 . . . . 44 GLU HB2 . 6933 1 505 . 1 1 44 44 GLU HB3 H 1 2.076 0.02 . 1 . . . . 44 GLU HB3 . 6933 1 506 . 1 1 44 44 GLU HG2 H 1 2.193 0.02 . 1 . . . . 44 GLU QG . 6933 1 507 . 1 1 44 44 GLU HG3 H 1 2.193 0.02 . 1 . . . . 44 GLU QG . 6933 1 508 . 1 1 44 44 GLU C C 13 177.134 0.3 . 1 . . . . 44 GLU C . 6933 1 509 . 1 1 44 44 GLU CA C 13 58.527 0.3 . 1 . . . . 44 GLU CA . 6933 1 510 . 1 1 44 44 GLU CB C 13 28.776 0.3 . 1 . . . . 44 GLU CB . 6933 1 511 . 1 1 44 44 GLU CG C 13 35.417 0.3 . 1 . . . . 44 GLU CG . 6933 1 512 . 1 1 44 44 GLU N N 15 131.876 0.1 . 1 . . . . 44 GLU N . 6933 1 513 . 1 1 45 45 GLY H H 1 8.904 0.02 . 1 . . . . 45 GLY H . 6933 1 514 . 1 1 45 45 GLY HA2 H 1 4.175 0.02 . 1 . . . . 45 GLY HA2 . 6933 1 515 . 1 1 45 45 GLY HA3 H 1 3.662 0.02 . 1 . . . . 45 GLY HA3 . 6933 1 516 . 1 1 45 45 GLY C C 13 174.517 0.3 . 1 . . . . 45 GLY C . 6933 1 517 . 1 1 45 45 GLY CA C 13 45.245 0.3 . 1 . . . . 45 GLY CA . 6933 1 518 . 1 1 45 45 GLY N N 15 115.750 0.1 . 1 . . . . 45 GLY N . 6933 1 519 . 1 1 46 46 GLY H H 1 7.510 0.02 . 1 . . . . 46 GLY H . 6933 1 520 . 1 1 46 46 GLY HA2 H 1 4.269 0.02 . 1 . . . . 46 GLY HA2 . 6933 1 521 . 1 1 46 46 GLY HA3 H 1 3.815 0.02 . 1 . . . . 46 GLY HA3 . 6933 1 522 . 1 1 46 46 GLY C C 13 173.842 0.3 . 1 . . . . 46 GLY C . 6933 1 523 . 1 1 46 46 GLY CA C 13 44.714 0.3 . 1 . . . . 46 GLY CA . 6933 1 524 . 1 1 46 46 GLY N N 15 106.582 0.1 . 1 . . . . 46 GLY N . 6933 1 525 . 1 1 47 47 ALA H H 1 8.735 0.02 . 1 . . . . 47 ALA H . 6933 1 526 . 1 1 47 47 ALA HA H 1 3.832 0.02 . 1 . . . . 47 ALA HA . 6933 1 527 . 1 1 47 47 ALA HB1 H 1 1.441 0.02 . 1 . . . . 47 ALA QB . 6933 1 528 . 1 1 47 47 ALA HB2 H 1 1.441 0.02 . 1 . . . . 47 ALA QB . 6933 1 529 . 1 1 47 47 ALA HB3 H 1 1.441 0.02 . 1 . . . . 47 ALA QB . 6933 1 530 . 1 1 47 47 ALA C C 13 180.854 0.3 . 1 . . . . 47 ALA C . 6933 1 531 . 1 1 47 47 ALA CA C 13 55.605 0.3 . 1 . . . . 47 ALA CA . 6933 1 532 . 1 1 47 47 ALA CB C 13 18.151 0.3 . 1 . . . . 47 ALA CB . 6933 1 533 . 1 1 47 47 ALA N N 15 120.390 0.1 . 1 . . . . 47 ALA N . 6933 1 534 . 1 1 48 48 ALA H H 1 7.630 0.02 . 1 . . . . 48 ALA H . 6933 1 535 . 1 1 48 48 ALA HA H 1 4.047 0.02 . 1 . . . . 48 ALA HA . 6933 1 536 . 1 1 48 48 ALA HB1 H 1 1.190 0.02 . 1 . . . . 48 ALA QB . 6933 1 537 . 1 1 48 48 ALA HB2 H 1 1.190 0.02 . 1 . . . . 48 ALA QB . 6933 1 538 . 1 1 48 48 ALA HB3 H 1 1.190 0.02 . 1 . . . . 48 ALA QB . 6933 1 539 . 1 1 48 48 ALA C C 13 180.972 0.3 . 1 . . . . 48 ALA C . 6933 1 540 . 1 1 48 48 ALA CA C 13 54.808 0.3 . 1 . . . . 48 ALA CA . 6933 1 541 . 1 1 48 48 ALA CB C 13 18.151 0.3 . 1 . . . . 48 ALA CB . 6933 1 542 . 1 1 48 48 ALA N N 15 118.711 0.1 . 1 . . . . 48 ALA N . 6933 1 543 . 1 1 49 49 GLN H H 1 9.280 0.02 . 1 . . . . 49 GLN H . 6933 1 544 . 1 1 49 49 GLN HA H 1 3.859 0.02 . 1 . . . . 49 GLN HA . 6933 1 545 . 1 1 49 49 GLN HB2 H 1 1.890 0.02 . 1 . . . . 49 GLN QB . 6933 1 546 . 1 1 49 49 GLN HB3 H 1 1.890 0.02 . 1 . . . . 49 GLN QB . 6933 1 547 . 1 1 49 49 GLN HG2 H 1 2.232 0.02 . 1 . . . . 49 GLN HG2 . 6933 1 548 . 1 1 49 49 GLN HG3 H 1 2.430 0.02 . 1 . . . . 49 GLN HG3 . 6933 1 549 . 1 1 49 49 GLN HE21 H 1 7.478 0.02 . 1 . . . . 49 GLN HE21 . 6933 1 550 . 1 1 49 49 GLN HE22 H 1 6.979 0.02 . 1 . . . . 49 GLN HE22 . 6933 1 551 . 1 1 49 49 GLN C C 13 177.987 0.3 . 1 . . . . 49 GLN C . 6933 1 552 . 1 1 49 49 GLN CA C 13 59.589 0.3 . 1 . . . . 49 GLN CA . 6933 1 553 . 1 1 49 49 GLN CB C 13 27.980 0.3 . 1 . . . . 49 GLN CB . 6933 1 554 . 1 1 49 49 GLN CG C 13 34.355 0.3 . 1 . . . . 49 GLN CG . 6933 1 555 . 1 1 49 49 GLN N N 15 124.878 0.1 . 1 . . . . 49 GLN N . 6933 1 556 . 1 1 49 49 GLN NE2 N 15 114.104 0.1 . 1 . . . . 49 GLN NE2 . 6933 1 557 . 1 1 50 50 ARG H H 1 8.336 0.02 . 1 . . . . 50 ARG H . 6933 1 558 . 1 1 50 50 ARG HA H 1 3.783 0.02 . 1 . . . . 50 ARG HA . 6933 1 559 . 1 1 50 50 ARG HB2 H 1 1.736 0.02 . 1 . . . . 50 ARG QB . 6933 1 560 . 1 1 50 50 ARG HB3 H 1 1.736 0.02 . 1 . . . . 50 ARG QB . 6933 1 561 . 1 1 50 50 ARG HG2 H 1 1.398 0.02 . 1 . . . . 50 ARG HG2 . 6933 1 562 . 1 1 50 50 ARG HG3 H 1 1.752 0.02 . 1 . . . . 50 ARG HG3 . 6933 1 563 . 1 1 50 50 ARG HD2 H 1 3.096 0.02 . 1 . . . . 50 ARG HD2 . 6933 1 564 . 1 1 50 50 ARG HD3 H 1 3.204 0.02 . 1 . . . . 50 ARG HD3 . 6933 1 565 . 1 1 50 50 ARG C C 13 178.497 0.3 . 1 . . . . 50 ARG C . 6933 1 566 . 1 1 50 50 ARG CA C 13 59.589 0.3 . 1 . . . . 50 ARG CA . 6933 1 567 . 1 1 50 50 ARG CB C 13 30.105 0.3 . 1 . . . . 50 ARG CB . 6933 1 568 . 1 1 50 50 ARG CG C 13 27.980 0.3 . 1 . . . . 50 ARG CG . 6933 1 569 . 1 1 50 50 ARG CD C 13 43.386 0.3 . 1 . . . . 50 ARG CD . 6933 1 570 . 1 1 50 50 ARG N N 15 117.810 0.1 . 1 . . . . 50 ARG N . 6933 1 571 . 1 1 51 51 ASP H H 1 7.403 0.02 . 1 . . . . 51 ASP H . 6933 1 572 . 1 1 51 51 ASP HA H 1 4.333 0.02 . 1 . . . . 51 ASP HA . 6933 1 573 . 1 1 51 51 ASP HB2 H 1 2.707 0.02 . 1 . . . . 51 ASP HB2 . 6933 1 574 . 1 1 51 51 ASP HB3 H 1 2.512 0.02 . 1 . . . . 51 ASP HB3 . 6933 1 575 . 1 1 51 51 ASP C C 13 177.644 0.3 . 1 . . . . 51 ASP C . 6933 1 576 . 1 1 51 51 ASP CA C 13 57.199 0.3 . 1 . . . . 51 ASP CA . 6933 1 577 . 1 1 51 51 ASP CB C 13 44.183 0.3 . 1 . . . . 51 ASP CB . 6933 1 578 . 1 1 51 51 ASP N N 15 117.565 0.1 . 1 . . . . 51 ASP N . 6933 1 579 . 1 1 52 52 GLY H H 1 7.373 0.02 . 1 . . . . 52 GLY H . 6933 1 580 . 1 1 52 52 GLY HA2 H 1 4.001 0.02 . 1 . . . . 52 GLY HA2 . 6933 1 581 . 1 1 52 52 GLY HA3 H 1 3.837 0.02 . 1 . . . . 52 GLY HA3 . 6933 1 582 . 1 1 52 52 GLY C C 13 174.967 0.3 . 1 . . . . 52 GLY C . 6933 1 583 . 1 1 52 52 GLY CA C 13 46.308 0.3 . 1 . . . . 52 GLY CA . 6933 1 584 . 1 1 52 52 GLY N N 15 103.609 0.1 . 1 . . . . 52 GLY N . 6933 1 585 . 1 1 53 53 ARG H H 1 7.764 0.02 . 1 . . . . 53 ARG H . 6933 1 586 . 1 1 53 53 ARG HA H 1 4.192 0.02 . 1 . . . . 53 ARG HA . 6933 1 587 . 1 1 53 53 ARG HB2 H 1 1.994 0.02 . 1 . . . . 53 ARG HB2 . 6933 1 588 . 1 1 53 53 ARG HB3 H 1 1.668 0.02 . 1 . . . . 53 ARG HB3 . 6933 1 589 . 1 1 53 53 ARG HG2 H 1 1.657 0.02 . 1 . . . . 53 ARG QG . 6933 1 590 . 1 1 53 53 ARG HG3 H 1 1.657 0.02 . 1 . . . . 53 ARG QG . 6933 1 591 . 1 1 53 53 ARG HD2 H 1 3.365 0.02 . 1 . . . . 53 ARG HD2 . 6933 1 592 . 1 1 53 53 ARG HD3 H 1 3.082 0.02 . 1 . . . . 53 ARG HD3 . 6933 1 593 . 1 1 53 53 ARG C C 13 176.424 0.3 . 1 . . . . 53 ARG C . 6933 1 594 . 1 1 53 53 ARG CA C 13 59.058 0.3 . 1 . . . . 53 ARG CA . 6933 1 595 . 1 1 53 53 ARG CB C 13 33.292 0.3 . 1 . . . . 53 ARG CB . 6933 1 596 . 1 1 53 53 ARG CG C 13 27.714 0.3 . 1 . . . . 53 ARG CG . 6933 1 597 . 1 1 53 53 ARG CD C 13 44.183 0.3 . 1 . . . . 53 ARG CD . 6933 1 598 . 1 1 53 53 ARG N N 15 119.193 0.1 . 1 . . . . 53 ARG N . 6933 1 599 . 1 1 54 54 ILE H H 1 8.772 0.02 . 1 . . . . 54 ILE H . 6933 1 600 . 1 1 54 54 ILE HA H 1 3.852 0.02 . 1 . . . . 54 ILE HA . 6933 1 601 . 1 1 54 54 ILE HG12 H 1 1.640 0.02 . 1 . . . . 54 ILE HG12 . 6933 1 602 . 1 1 54 54 ILE HG13 H 1 0.608 0.02 . 1 . . . . 54 ILE HG13 . 6933 1 603 . 1 1 54 54 ILE HG21 H 1 0.626 0.02 . 1 . . . . 54 ILE QG2 . 6933 1 604 . 1 1 54 54 ILE HG22 H 1 0.626 0.02 . 1 . . . . 54 ILE QG2 . 6933 1 605 . 1 1 54 54 ILE HG23 H 1 0.626 0.02 . 1 . . . . 54 ILE QG2 . 6933 1 606 . 1 1 54 54 ILE HD11 H 1 0.235 0.02 . 1 . . . . 54 ILE QD1 . 6933 1 607 . 1 1 54 54 ILE HD12 H 1 0.235 0.02 . 1 . . . . 54 ILE QD1 . 6933 1 608 . 1 1 54 54 ILE HD13 H 1 0.235 0.02 . 1 . . . . 54 ILE QD1 . 6933 1 609 . 1 1 54 54 ILE C C 13 174.244 0.3 . 1 . . . . 54 ILE C . 6933 1 610 . 1 1 54 54 ILE CA C 13 62.511 0.3 . 1 . . . . 54 ILE CA . 6933 1 611 . 1 1 54 54 ILE CG1 C 13 29.573 0.3 . 1 . . . . 54 ILE CG1 . 6933 1 612 . 1 1 54 54 ILE CG2 C 13 18.417 0.3 . 1 . . . . 54 ILE CG2 . 6933 1 613 . 1 1 54 54 ILE CD1 C 13 12.839 0.3 . 1 . . . . 54 ILE CD1 . 6933 1 614 . 1 1 54 54 ILE N N 15 120.225 0.1 . 1 . . . . 54 ILE N . 6933 1 615 . 1 1 55 55 GLN H H 1 9.061 0.02 . 1 . . . . 55 GLN H . 6933 1 616 . 1 1 55 55 GLN HA H 1 4.530 0.02 . 1 . . . . 55 GLN HA . 6933 1 617 . 1 1 55 55 GLN HB2 H 1 1.997 0.02 . 1 . . . . 55 GLN HB2 . 6933 1 618 . 1 1 55 55 GLN HB3 H 1 1.787 0.02 . 1 . . . . 55 GLN HB3 . 6933 1 619 . 1 1 55 55 GLN HG2 H 1 2.326 0.02 . 1 . . . . 55 GLN HG2 . 6933 1 620 . 1 1 55 55 GLN HG3 H 1 2.254 0.02 . 1 . . . . 55 GLN HG3 . 6933 1 621 . 1 1 55 55 GLN HE21 H 1 7.023 0.02 . 1 . . . . 55 GLN HE21 . 6933 1 622 . 1 1 55 55 GLN HE22 H 1 6.697 0.02 . 1 . . . . 55 GLN HE22 . 6933 1 623 . 1 1 55 55 GLN C C 13 175.228 0.3 . 1 . . . . 55 GLN C . 6933 1 624 . 1 1 55 55 GLN CA C 13 52.949 0.3 . 1 . . . . 55 GLN CA . 6933 1 625 . 1 1 55 55 GLN CB C 13 32.230 0.3 . 1 . . . . 55 GLN CB . 6933 1 626 . 1 1 55 55 GLN CG C 13 33.292 0.3 . 1 . . . . 55 GLN CG . 6933 1 627 . 1 1 55 55 GLN N N 15 125.877 0.1 . 1 . . . . 55 GLN N . 6933 1 628 . 1 1 55 55 GLN NE2 N 15 110.940 0.1 . 1 . . . . 55 GLN NE2 . 6933 1 629 . 1 1 56 56 VAL H H 1 8.200 0.02 . 1 . . . . 56 VAL H . 6933 1 630 . 1 1 56 56 VAL HA H 1 3.184 0.02 . 1 . . . . 56 VAL HA . 6933 1 631 . 1 1 56 56 VAL HB H 1 1.783 0.02 . 1 . . . . 56 VAL HB . 6933 1 632 . 1 1 56 56 VAL HG11 H 1 0.880 0.02 . 2 . . . . 56 VAL QG1 . 6933 1 633 . 1 1 56 56 VAL HG12 H 1 0.880 0.02 . 2 . . . . 56 VAL QG1 . 6933 1 634 . 1 1 56 56 VAL HG13 H 1 0.880 0.02 . 2 . . . . 56 VAL QG1 . 6933 1 635 . 1 1 56 56 VAL HG21 H 1 0.890 0.02 . 2 . . . . 56 VAL QG2 . 6933 1 636 . 1 1 56 56 VAL HG22 H 1 0.890 0.02 . 2 . . . . 56 VAL QG2 . 6933 1 637 . 1 1 56 56 VAL HG23 H 1 0.890 0.02 . 2 . . . . 56 VAL QG2 . 6933 1 638 . 1 1 56 56 VAL C C 13 177.715 0.3 . 1 . . . . 56 VAL C . 6933 1 639 . 1 1 56 56 VAL CA C 13 65.433 0.3 . 1 . . . . 56 VAL CA . 6933 1 640 . 1 1 56 56 VAL CB C 13 31.964 0.3 . 1 . . . . 56 VAL CB . 6933 1 641 . 1 1 56 56 VAL CG1 C 13 21.339 0.3 . 1 . . . . 56 VAL CG1 . 6933 1 642 . 1 1 56 56 VAL CG2 C 13 22.933 0.3 . 1 . . . . 56 VAL CG2 . 6933 1 643 . 1 1 56 56 VAL N N 15 119.326 0.1 . 1 . . . . 56 VAL N . 6933 1 644 . 1 1 57 57 ASN H H 1 9.087 0.02 . 1 . . . . 57 ASN H . 6933 1 645 . 1 1 57 57 ASN HA H 1 4.247 0.02 . 1 . . . . 57 ASN HA . 6933 1 646 . 1 1 57 57 ASN HB2 H 1 3.080 0.02 . 1 . . . . 57 ASN HB2 . 6933 1 647 . 1 1 57 57 ASN HB3 H 1 3.352 0.02 . 1 . . . . 57 ASN HB3 . 6933 1 648 . 1 1 57 57 ASN HD21 H 1 7.602 0.02 . 1 . . . . 57 ASN HD21 . 6933 1 649 . 1 1 57 57 ASN HD22 H 1 6.706 0.02 . 1 . . . . 57 ASN HD22 . 6933 1 650 . 1 1 57 57 ASN C C 13 174.695 0.3 . 1 . . . . 57 ASN C . 6933 1 651 . 1 1 57 57 ASN CA C 13 56.136 0.3 . 1 . . . . 57 ASN CA . 6933 1 652 . 1 1 57 57 ASN CB C 13 37.542 0.3 . 1 . . . . 57 ASN CB . 6933 1 653 . 1 1 57 57 ASN N N 15 119.673 0.1 . 1 . . . . 57 ASN N . 6933 1 654 . 1 1 57 57 ASN ND2 N 15 112.522 0.1 . 1 . . . . 57 ASN ND2 . 6933 1 655 . 1 1 58 58 ASP H H 1 7.959 0.02 . 1 . . . . 58 ASP H . 6933 1 656 . 1 1 58 58 ASP HA H 1 4.799 0.02 . 1 . . . . 58 ASP HA . 6933 1 657 . 1 1 58 58 ASP HB2 H 1 2.641 0.02 . 1 . . . . 58 ASP HB2 . 6933 1 658 . 1 1 58 58 ASP HB3 H 1 2.535 0.02 . 1 . . . . 58 ASP HB3 . 6933 1 659 . 1 1 58 58 ASP C C 13 175.310 0.3 . 1 . . . . 58 ASP C . 6933 1 660 . 1 1 58 58 ASP CA C 13 55.605 0.3 . 1 . . . . 58 ASP CA . 6933 1 661 . 1 1 58 58 ASP CB C 13 40.995 0.3 . 1 . . . . 58 ASP CB . 6933 1 662 . 1 1 58 58 ASP N N 15 121.829 0.1 . 1 . . . . 58 ASP N . 6933 1 663 . 1 1 59 59 GLN H H 1 9.282 0.02 . 1 . . . . 59 GLN H . 6933 1 664 . 1 1 59 59 GLN HA H 1 4.282 0.02 . 1 . . . . 59 GLN HA . 6933 1 665 . 1 1 59 59 GLN HB2 H 1 1.687 0.02 . 1 . . . . 59 GLN HB2 . 6933 1 666 . 1 1 59 59 GLN HB3 H 1 1.540 0.02 . 1 . . . . 59 GLN HB3 . 6933 1 667 . 1 1 59 59 GLN HG2 H 1 1.365 0.02 . 1 . . . . 59 GLN HG2 . 6933 1 668 . 1 1 59 59 GLN HG3 H 1 1.234 0.02 . 1 . . . . 59 GLN HG3 . 6933 1 669 . 1 1 59 59 GLN HE21 H 1 7.431 0.02 . 1 . . . . 59 GLN HE21 . 6933 1 670 . 1 1 59 59 GLN HE22 H 1 6.589 0.02 . 1 . . . . 59 GLN HE22 . 6933 1 671 . 1 1 59 59 GLN C C 13 176.341 0.3 . 1 . . . . 59 GLN C . 6933 1 672 . 1 1 59 59 GLN CA C 13 54.277 0.3 . 1 . . . . 59 GLN CA . 6933 1 673 . 1 1 59 59 GLN CB C 13 29.573 0.3 . 1 . . . . 59 GLN CB . 6933 1 674 . 1 1 59 59 GLN CG C 13 33.026 0.3 . 1 . . . . 59 GLN CG . 6933 1 675 . 1 1 59 59 GLN N N 15 121.820 0.1 . 1 . . . . 59 GLN N . 6933 1 676 . 1 1 59 59 GLN NE2 N 15 105.403 0.1 . 1 . . . . 59 GLN NE2 . 6933 1 677 . 1 1 60 60 ILE H H 1 8.678 0.02 . 1 . . . . 60 ILE H . 6933 1 678 . 1 1 60 60 ILE HA H 1 4.048 0.02 . 1 . . . . 60 ILE HA . 6933 1 679 . 1 1 60 60 ILE HB H 1 1.536 0.02 . 1 . . . . 60 ILE HB . 6933 1 680 . 1 1 60 60 ILE HG12 H 1 1.217 0.02 . 1 . . . . 60 ILE HG12 . 6933 1 681 . 1 1 60 60 ILE HG13 H 1 0.471 0.02 . 1 . . . . 60 ILE HG13 . 6933 1 682 . 1 1 60 60 ILE HG21 H 1 0.669 0.02 . 1 . . . . 60 ILE QG2 . 6933 1 683 . 1 1 60 60 ILE HG22 H 1 0.669 0.02 . 1 . . . . 60 ILE QG2 . 6933 1 684 . 1 1 60 60 ILE HG23 H 1 0.669 0.02 . 1 . . . . 60 ILE QG2 . 6933 1 685 . 1 1 60 60 ILE HD11 H 1 0.419 0.02 . 1 . . . . 60 ILE QD1 . 6933 1 686 . 1 1 60 60 ILE HD12 H 1 0.419 0.02 . 1 . . . . 60 ILE QD1 . 6933 1 687 . 1 1 60 60 ILE HD13 H 1 0.419 0.02 . 1 . . . . 60 ILE QD1 . 6933 1 688 . 1 1 60 60 ILE C C 13 174.695 0.3 . 1 . . . . 60 ILE C . 6933 1 689 . 1 1 60 60 ILE CA C 13 61.183 0.3 . 1 . . . . 60 ILE CA . 6933 1 690 . 1 1 60 60 ILE CB C 13 36.480 0.3 . 1 . . . . 60 ILE CB . 6933 1 691 . 1 1 60 60 ILE CG1 C 13 26.386 0.3 . 1 . . . . 60 ILE CG1 . 6933 1 692 . 1 1 60 60 ILE CG2 C 13 20.011 0.3 . 1 . . . . 60 ILE CG2 . 6933 1 693 . 1 1 60 60 ILE CD1 C 13 13.104 0.3 . 1 . . . . 60 ILE CD1 . 6933 1 694 . 1 1 60 60 ILE N N 15 125.883 0.1 . 1 . . . . 60 ILE N . 6933 1 695 . 1 1 61 61 VAL H H 1 8.444 0.02 . 1 . . . . 61 VAL H . 6933 1 696 . 1 1 61 61 VAL HA H 1 3.646 0.02 . 1 . . . . 61 VAL HA . 6933 1 697 . 1 1 61 61 VAL HB H 1 1.619 0.02 . 1 . . . . 61 VAL HB . 6933 1 698 . 1 1 61 61 VAL HG11 H 1 0.703 0.02 . 2 . . . . 61 VAL QG1 . 6933 1 699 . 1 1 61 61 VAL HG12 H 1 0.703 0.02 . 2 . . . . 61 VAL QG1 . 6933 1 700 . 1 1 61 61 VAL HG13 H 1 0.703 0.02 . 2 . . . . 61 VAL QG1 . 6933 1 701 . 1 1 61 61 VAL HG21 H 1 0.535 0.02 . 2 . . . . 61 VAL QG2 . 6933 1 702 . 1 1 61 61 VAL HG22 H 1 0.535 0.02 . 2 . . . . 61 VAL QG2 . 6933 1 703 . 1 1 61 61 VAL HG23 H 1 0.535 0.02 . 2 . . . . 61 VAL QG2 . 6933 1 704 . 1 1 61 61 VAL C C 13 176.530 0.3 . 1 . . . . 61 VAL C . 6933 1 705 . 1 1 61 61 VAL CA C 13 64.636 0.3 . 1 . . . . 61 VAL CA . 6933 1 706 . 1 1 61 61 VAL CB C 13 32.495 0.3 . 1 . . . . 61 VAL CB . 6933 1 707 . 1 1 61 61 VAL CG1 C 13 20.808 0.3 . 1 . . . . 61 VAL CG1 . 6933 1 708 . 1 1 61 61 VAL CG2 C 13 21.339 0.3 . 1 . . . . 61 VAL CG2 . 6933 1 709 . 1 1 61 61 VAL N N 15 128.999 0.1 . 1 . . . . 61 VAL N . 6933 1 710 . 1 1 62 62 GLU H H 1 7.768 0.02 . 1 . . . . 62 GLU H . 6933 1 711 . 1 1 62 62 GLU HA H 1 5.050 0.02 . 1 . . . . 62 GLU HA . 6933 1 712 . 1 1 62 62 GLU HB2 H 1 1.649 0.02 . 1 . . . . 62 GLU HB2 . 6933 1 713 . 1 1 62 62 GLU HG2 H 1 1.780 0.02 . 1 . . . . 62 GLU HG2 . 6933 1 714 . 1 1 62 62 GLU C C 13 174.422 0.3 . 1 . . . . 62 GLU C . 6933 1 715 . 1 1 62 62 GLU CA C 13 55.074 0.3 . 1 . . . . 62 GLU CA . 6933 1 716 . 1 1 62 62 GLU CB C 13 35.417 0.3 . 1 . . . . 62 GLU CB . 6933 1 717 . 1 1 62 62 GLU CG C 13 37.277 0.3 . 1 . . . . 62 GLU CG . 6933 1 718 . 1 1 62 62 GLU N N 15 119.613 0.1 . 1 . . . . 62 GLU N . 6933 1 719 . 1 1 63 63 VAL H H 1 8.426 0.02 . 1 . . . . 63 VAL H . 6933 1 720 . 1 1 63 63 VAL HA H 1 4.448 0.02 . 1 . . . . 63 VAL HA . 6933 1 721 . 1 1 63 63 VAL HB H 1 1.569 0.02 . 1 . . . . 63 VAL HB . 6933 1 722 . 1 1 63 63 VAL HG11 H 1 0.502 0.02 . 2 . . . . 63 VAL QG1 . 6933 1 723 . 1 1 63 63 VAL HG12 H 1 0.502 0.02 . 2 . . . . 63 VAL QG1 . 6933 1 724 . 1 1 63 63 VAL HG13 H 1 0.502 0.02 . 2 . . . . 63 VAL QG1 . 6933 1 725 . 1 1 63 63 VAL HG21 H 1 0.400 0.02 . 2 . . . . 63 VAL QG2 . 6933 1 726 . 1 1 63 63 VAL HG22 H 1 0.400 0.02 . 2 . . . . 63 VAL QG2 . 6933 1 727 . 1 1 63 63 VAL HG23 H 1 0.400 0.02 . 2 . . . . 63 VAL QG2 . 6933 1 728 . 1 1 63 63 VAL C C 13 174.256 0.3 . 1 . . . . 63 VAL C . 6933 1 729 . 1 1 63 63 VAL CA C 13 60.386 0.3 . 1 . . . . 63 VAL CA . 6933 1 730 . 1 1 63 63 VAL CB C 13 34.620 0.3 . 1 . . . . 63 VAL CB . 6933 1 731 . 1 1 63 63 VAL CG1 C 13 22.667 0.3 . 1 . . . . 63 VAL CG1 . 6933 1 732 . 1 1 63 63 VAL CG2 C 13 20.542 0.3 . 1 . . . . 63 VAL CG2 . 6933 1 733 . 1 1 63 63 VAL N N 15 122.357 0.1 . 1 . . . . 63 VAL N . 6933 1 734 . 1 1 64 64 ASP H H 1 9.540 0.02 . 1 . . . . 64 ASP H . 6933 1 735 . 1 1 64 64 ASP HA H 1 4.111 0.02 . 1 . . . . 64 ASP HA . 6933 1 736 . 1 1 64 64 ASP HB2 H 1 2.778 0.02 . 1 . . . . 64 ASP HB2 . 6933 1 737 . 1 1 64 64 ASP HB3 H 1 2.485 0.02 . 1 . . . . 64 ASP HB3 . 6933 1 738 . 1 1 64 64 ASP C C 13 176.068 0.3 . 1 . . . . 64 ASP C . 6933 1 739 . 1 1 64 64 ASP CA C 13 55.870 0.3 . 1 . . . . 64 ASP CA . 6933 1 740 . 1 1 64 64 ASP CB C 13 39.402 0.3 . 1 . . . . 64 ASP CB . 6933 1 741 . 1 1 64 64 ASP N N 15 127.264 0.1 . 1 . . . . 64 ASP N . 6933 1 742 . 1 1 65 65 GLY H H 1 8.227 0.02 . 1 . . . . 65 GLY H . 6933 1 743 . 1 1 65 65 GLY HA2 H 1 3.973 0.02 . 1 . . . . 65 GLY HA2 . 6933 1 744 . 1 1 65 65 GLY HA3 H 1 3.494 0.02 . 1 . . . . 65 GLY HA3 . 6933 1 745 . 1 1 65 65 GLY C C 13 173.735 0.3 . 1 . . . . 65 GLY C . 6933 1 746 . 1 1 65 65 GLY CA C 13 45.245 0.3 . 1 . . . . 65 GLY CA . 6933 1 747 . 1 1 65 65 GLY N N 15 102.443 0.1 . 1 . . . . 65 GLY N . 6933 1 748 . 1 1 66 66 ILE H H 1 8.410 0.02 . 1 . . . . 66 ILE H . 6933 1 749 . 1 1 66 66 ILE HA H 1 3.987 0.02 . 1 . . . . 66 ILE HA . 6933 1 750 . 1 1 66 66 ILE HB H 1 2.117 0.02 . 1 . . . . 66 ILE HB . 6933 1 751 . 1 1 66 66 ILE HG12 H 1 1.461 0.02 . 1 . . . . 66 ILE HG12 . 6933 1 752 . 1 1 66 66 ILE HG13 H 1 0.949 0.02 . 1 . . . . 66 ILE HG13 . 6933 1 753 . 1 1 66 66 ILE HG21 H 1 0.952 0.02 . 1 . . . . 66 ILE QG2 . 6933 1 754 . 1 1 66 66 ILE HG22 H 1 0.952 0.02 . 1 . . . . 66 ILE QG2 . 6933 1 755 . 1 1 66 66 ILE HG23 H 1 0.952 0.02 . 1 . . . . 66 ILE QG2 . 6933 1 756 . 1 1 66 66 ILE HD11 H 1 0.784 0.02 . 1 . . . . 66 ILE QD1 . 6933 1 757 . 1 1 66 66 ILE HD12 H 1 0.784 0.02 . 1 . . . . 66 ILE QD1 . 6933 1 758 . 1 1 66 66 ILE HD13 H 1 0.784 0.02 . 1 . . . . 66 ILE QD1 . 6933 1 759 . 1 1 66 66 ILE C C 13 175.476 0.3 . 1 . . . . 66 ILE C . 6933 1 760 . 1 1 66 66 ILE CA C 13 60.121 0.3 . 1 . . . . 66 ILE CA . 6933 1 761 . 1 1 66 66 ILE CB C 13 38.073 0.3 . 1 . . . . 66 ILE CB . 6933 1 762 . 1 1 66 66 ILE CG1 C 13 27.183 0.3 . 1 . . . . 66 ILE CG1 . 6933 1 763 . 1 1 66 66 ILE CG2 C 13 17.089 0.3 . 1 . . . . 66 ILE CG2 . 6933 1 764 . 1 1 66 66 ILE CD1 C 13 13.370 0.3 . 1 . . . . 66 ILE CD1 . 6933 1 765 . 1 1 66 66 ILE N N 15 124.682 0.1 . 1 . . . . 66 ILE N . 6933 1 766 . 1 1 67 67 SER H H 1 8.551 0.02 . 1 . . . . 67 SER H . 6933 1 767 . 1 1 67 67 SER HA H 1 4.385 0.02 . 1 . . . . 67 SER HA . 6933 1 768 . 1 1 67 67 SER HB2 H 1 3.984 0.02 . 1 . . . . 67 SER HB2 . 6933 1 769 . 1 1 67 67 SER HB3 H 1 3.788 0.02 . 1 . . . . 67 SER HB3 . 6933 1 770 . 1 1 67 67 SER C C 13 175.642 0.3 . 1 . . . . 67 SER C . 6933 1 771 . 1 1 67 67 SER CA C 13 58.792 0.3 . 1 . . . . 67 SER CA . 6933 1 772 . 1 1 67 67 SER CB C 13 63.574 0.3 . 1 . . . . 67 SER CB . 6933 1 773 . 1 1 67 67 SER N N 15 120.473 0.1 . 1 . . . . 67 SER N . 6933 1 774 . 1 1 68 68 LEU H H 1 8.156 0.02 . 1 . . . . 68 LEU H . 6933 1 775 . 1 1 68 68 LEU HA H 1 4.751 0.02 . 1 . . . . 68 LEU HA . 6933 1 776 . 1 1 68 68 LEU HB2 H 1 1.780 0.02 . 1 . . . . 68 LEU HB2 . 6933 1 777 . 1 1 68 68 LEU HB3 H 1 1.464 0.02 . 1 . . . . 68 LEU HB3 . 6933 1 778 . 1 1 68 68 LEU HG H 1 1.548 0.02 . 1 . . . . 68 LEU HG . 6933 1 779 . 1 1 68 68 LEU HD11 H 1 0.811 0.02 . 2 . . . . 68 LEU QD1 . 6933 1 780 . 1 1 68 68 LEU HD12 H 1 0.811 0.02 . 2 . . . . 68 LEU QD1 . 6933 1 781 . 1 1 68 68 LEU HD13 H 1 0.811 0.02 . 2 . . . . 68 LEU QD1 . 6933 1 782 . 1 1 68 68 LEU HD21 H 1 0.705 0.02 . 2 . . . . 68 LEU QD2 . 6933 1 783 . 1 1 68 68 LEU HD22 H 1 0.705 0.02 . 2 . . . . 68 LEU QD2 . 6933 1 784 . 1 1 68 68 LEU HD23 H 1 0.705 0.02 . 2 . . . . 68 LEU QD2 . 6933 1 785 . 1 1 68 68 LEU C C 13 177.040 0.3 . 1 . . . . 68 LEU C . 6933 1 786 . 1 1 68 68 LEU CA C 13 53.214 0.3 . 1 . . . . 68 LEU CA . 6933 1 787 . 1 1 68 68 LEU CB C 13 39.933 0.3 . 1 . . . . 68 LEU CB . 6933 1 788 . 1 1 68 68 LEU CG C 13 27.183 0.3 . 1 . . . . 68 LEU CG . 6933 1 789 . 1 1 68 68 LEU CD1 C 13 23.464 0.3 . 1 . . . . 68 LEU CD1 . 6933 1 790 . 1 1 68 68 LEU CD2 C 13 25.589 0.3 . 1 . . . . 68 LEU CD2 . 6933 1 791 . 1 1 68 68 LEU N N 15 125.596 0.1 . 1 . . . . 68 LEU N . 6933 1 792 . 1 1 69 69 VAL H H 1 7.927 0.02 . 1 . . . . 69 VAL H . 6933 1 793 . 1 1 69 69 VAL HA H 1 3.891 0.02 . 1 . . . . 69 VAL HA . 6933 1 794 . 1 1 69 69 VAL HG11 H 1 0.964 0.02 . 2 . . . . 69 VAL QG1 . 6933 1 795 . 1 1 69 69 VAL HG12 H 1 0.964 0.02 . 2 . . . . 69 VAL QG1 . 6933 1 796 . 1 1 69 69 VAL HG13 H 1 0.964 0.02 . 2 . . . . 69 VAL QG1 . 6933 1 797 . 1 1 69 69 VAL HG21 H 1 0.829 0.02 . 2 . . . . 69 VAL QG2 . 6933 1 798 . 1 1 69 69 VAL HG22 H 1 0.829 0.02 . 2 . . . . 69 VAL QG2 . 6933 1 799 . 1 1 69 69 VAL HG23 H 1 0.829 0.02 . 2 . . . . 69 VAL QG2 . 6933 1 800 . 1 1 69 69 VAL C C 13 176.151 0.3 . 1 . . . . 69 VAL C . 6933 1 801 . 1 1 69 69 VAL CA C 13 63.574 0.3 . 1 . . . . 69 VAL CA . 6933 1 802 . 1 1 69 69 VAL CG1 C 13 21.870 0.3 . 1 . . . . 69 VAL CG1 . 6933 1 803 . 1 1 69 69 VAL CG2 C 13 20.808 0.3 . 1 . . . . 69 VAL CG2 . 6933 1 804 . 1 1 69 69 VAL N N 15 124.498 0.1 . 1 . . . . 69 VAL N . 6933 1 805 . 1 1 70 70 GLY H H 1 8.387 0.02 . 1 . . . . 70 GLY H . 6933 1 806 . 1 1 70 70 GLY HA2 H 1 3.953 0.02 . 1 . . . . 70 GLY HA2 . 6933 1 807 . 1 1 70 70 GLY HA3 H 1 3.718 0.02 . 1 . . . . 70 GLY HA3 . 6933 1 808 . 1 1 70 70 GLY C C 13 174.244 0.3 . 1 . . . . 70 GLY C . 6933 1 809 . 1 1 70 70 GLY CA C 13 46.574 0.3 . 1 . . . . 70 GLY CA . 6933 1 810 . 1 1 70 70 GLY N N 15 117.469 0.1 . 1 . . . . 70 GLY N . 6933 1 811 . 1 1 71 71 VAL H H 1 7.201 0.02 . 1 . . . . 71 VAL H . 6933 1 812 . 1 1 71 71 VAL HA H 1 4.651 0.02 . 1 . . . . 71 VAL HA . 6933 1 813 . 1 1 71 71 VAL HB H 1 2.173 0.02 . 1 . . . . 71 VAL HB . 6933 1 814 . 1 1 71 71 VAL HG11 H 1 0.809 0.02 . 2 . . . . 71 VAL QG1 . 6933 1 815 . 1 1 71 71 VAL HG12 H 1 0.809 0.02 . 2 . . . . 71 VAL QG1 . 6933 1 816 . 1 1 71 71 VAL HG13 H 1 0.809 0.02 . 2 . . . . 71 VAL QG1 . 6933 1 817 . 1 1 71 71 VAL HG21 H 1 0.529 0.02 . 2 . . . . 71 VAL QG2 . 6933 1 818 . 1 1 71 71 VAL HG22 H 1 0.529 0.02 . 2 . . . . 71 VAL QG2 . 6933 1 819 . 1 1 71 71 VAL HG23 H 1 0.529 0.02 . 2 . . . . 71 VAL QG2 . 6933 1 820 . 1 1 71 71 VAL C C 13 174.813 0.3 . 1 . . . . 71 VAL C . 6933 1 821 . 1 1 71 71 VAL CA C 13 58.261 0.3 . 1 . . . . 71 VAL CA . 6933 1 822 . 1 1 71 71 VAL CB C 13 34.089 0.3 . 1 . . . . 71 VAL CB . 6933 1 823 . 1 1 71 71 VAL CG1 C 13 17.620 0.3 . 1 . . . . 71 VAL CG1 . 6933 1 824 . 1 1 71 71 VAL CG2 C 13 21.073 0.3 . 1 . . . . 71 VAL CG2 . 6933 1 825 . 1 1 71 71 VAL N N 15 111.215 0.1 . 1 . . . . 71 VAL N . 6933 1 826 . 1 1 72 72 THR H H 1 7.914 0.02 . 1 . . . . 72 THR H . 6933 1 827 . 1 1 72 72 THR HA H 1 4.359 0.02 . 1 . . . . 72 THR HA . 6933 1 828 . 1 1 72 72 THR HB H 1 4.699 0.02 . 1 . . . . 72 THR HB . 6933 1 829 . 1 1 72 72 THR HG21 H 1 1.291 0.02 . 1 . . . . 72 THR QG2 . 6933 1 830 . 1 1 72 72 THR HG22 H 1 1.291 0.02 . 1 . . . . 72 THR QG2 . 6933 1 831 . 1 1 72 72 THR HG23 H 1 1.291 0.02 . 1 . . . . 72 THR QG2 . 6933 1 832 . 1 1 72 72 THR C C 13 175.642 0.3 . 1 . . . . 72 THR C . 6933 1 833 . 1 1 72 72 THR CA C 13 60.386 0.3 . 1 . . . . 72 THR CA . 6933 1 834 . 1 1 72 72 THR CB C 13 71.011 0.3 . 1 . . . . 72 THR CB . 6933 1 835 . 1 1 72 72 THR CG2 C 13 21.870 0.3 . 1 . . . . 72 THR CG2 . 6933 1 836 . 1 1 72 72 THR N N 15 108.272 0.1 . 1 . . . . 72 THR N . 6933 1 837 . 1 1 73 73 GLN H H 1 9.029 0.02 . 1 . . . . 73 GLN H . 6933 1 838 . 1 1 73 73 GLN HA H 1 3.782 0.02 . 1 . . . . 73 GLN HA . 6933 1 839 . 1 1 73 73 GLN HB2 H 1 2.110 0.02 . 1 . . . . 73 GLN HB2 . 6933 1 840 . 1 1 73 73 GLN HB3 H 1 2.038 0.02 . 1 . . . . 73 GLN HB3 . 6933 1 841 . 1 1 73 73 GLN HG2 H 1 2.364 0.02 . 1 . . . . 73 GLN HG2 . 6933 1 842 . 1 1 73 73 GLN HG3 H 1 2.110 0.02 . 1 . . . . 73 GLN HG3 . 6933 1 843 . 1 1 73 73 GLN HE21 H 1 7.524 0.02 . 1 . . . . 73 GLN HE21 . 6933 1 844 . 1 1 73 73 GLN HE22 H 1 6.788 0.02 . 1 . . . . 73 GLN HE22 . 6933 1 845 . 1 1 73 73 GLN C C 13 177.810 0.3 . 1 . . . . 73 GLN C . 6933 1 846 . 1 1 73 73 GLN CA C 13 60.121 0.3 . 1 . . . . 73 GLN CA . 6933 1 847 . 1 1 73 73 GLN CB C 13 28.245 0.3 . 1 . . . . 73 GLN CB . 6933 1 848 . 1 1 73 73 GLN CG C 13 34.089 0.3 . 1 . . . . 73 GLN CG . 6933 1 849 . 1 1 73 73 GLN N N 15 121.141 0.1 . 1 . . . . 73 GLN N . 6933 1 850 . 1 1 73 73 GLN NE2 N 15 111.204 0.1 . 1 . . . . 73 GLN NE2 . 6933 1 851 . 1 1 74 74 ASN H H 1 8.520 0.02 . 1 . . . . 74 ASN H . 6933 1 852 . 1 1 74 74 ASN HA H 1 4.374 0.02 . 1 . . . . 74 ASN HA . 6933 1 853 . 1 1 74 74 ASN HB2 H 1 2.755 0.02 . 1 . . . . 74 ASN HB2 . 6933 1 854 . 1 1 74 74 ASN HB3 H 1 2.703 0.02 . 1 . . . . 74 ASN HB3 . 6933 1 855 . 1 1 74 74 ASN HD21 H 1 7.641 0.02 . 1 . . . . 74 ASN HD21 . 6933 1 856 . 1 1 74 74 ASN HD22 H 1 6.944 0.02 . 1 . . . . 74 ASN HD22 . 6933 1 857 . 1 1 74 74 ASN C C 13 177.727 0.3 . 1 . . . . 74 ASN C . 6933 1 858 . 1 1 74 74 ASN CA C 13 56.402 0.3 . 1 . . . . 74 ASN CA . 6933 1 859 . 1 1 74 74 ASN CB C 13 38.339 0.3 . 1 . . . . 74 ASN CB . 6933 1 860 . 1 1 74 74 ASN N N 15 116.084 0.1 . 1 . . . . 74 ASN N . 6933 1 861 . 1 1 74 74 ASN ND2 N 15 112.786 0.1 . 1 . . . . 74 ASN ND2 . 6933 1 862 . 1 1 75 75 PHE H H 1 8.046 0.02 . 1 . . . . 75 PHE H . 6933 1 863 . 1 1 75 75 PHE HA H 1 4.086 0.02 . 1 . . . . 75 PHE HA . 6933 1 864 . 1 1 75 75 PHE HB2 H 1 3.142 0.02 . 1 . . . . 75 PHE HB2 . 6933 1 865 . 1 1 75 75 PHE HB3 H 1 3.097 0.02 . 1 . . . . 75 PHE HB3 . 6933 1 866 . 1 1 75 75 PHE HD1 H 1 7.077 0.02 . 1 . . . . 75 PHE QD . 6933 1 867 . 1 1 75 75 PHE HD2 H 1 7.077 0.02 . 1 . . . . 75 PHE QD . 6933 1 868 . 1 1 75 75 PHE HE1 H 1 7.204 0.02 . 1 . . . . 75 PHE QE . 6933 1 869 . 1 1 75 75 PHE HE2 H 1 7.204 0.02 . 1 . . . . 75 PHE QE . 6933 1 870 . 1 1 75 75 PHE C C 13 177.466 0.3 . 1 . . . . 75 PHE C . 6933 1 871 . 1 1 75 75 PHE CA C 13 61.714 0.3 . 1 . . . . 75 PHE CA . 6933 1 872 . 1 1 75 75 PHE CB C 13 39.402 0.3 . 1 . . . . 75 PHE CB . 6933 1 873 . 1 1 75 75 PHE N N 15 123.087 0.1 . 1 . . . . 75 PHE N . 6933 1 874 . 1 1 76 76 ALA H H 1 8.028 0.02 . 1 . . . . 76 ALA H . 6933 1 875 . 1 1 76 76 ALA HA H 1 3.684 0.02 . 1 . . . . 76 ALA HA . 6933 1 876 . 1 1 76 76 ALA HB1 H 1 1.390 0.02 . 1 . . . . 76 ALA QB . 6933 1 877 . 1 1 76 76 ALA HB2 H 1 1.390 0.02 . 1 . . . . 76 ALA QB . 6933 1 878 . 1 1 76 76 ALA HB3 H 1 1.390 0.02 . 1 . . . . 76 ALA QB . 6933 1 879 . 1 1 76 76 ALA C C 13 178.248 0.3 . 1 . . . . 76 ALA C . 6933 1 880 . 1 1 76 76 ALA CA C 13 54.808 0.3 . 1 . . . . 76 ALA CA . 6933 1 881 . 1 1 76 76 ALA CB C 13 19.745 0.3 . 1 . . . . 76 ALA CB . 6933 1 882 . 1 1 76 76 ALA N N 15 120.669 0.1 . 1 . . . . 76 ALA N . 6933 1 883 . 1 1 77 77 ALA H H 1 8.658 0.02 . 1 . . . . 77 ALA H . 6933 1 884 . 1 1 77 77 ALA HA H 1 3.889 0.02 . 1 . . . . 77 ALA HA . 6933 1 885 . 1 1 77 77 ALA HB1 H 1 1.465 0.02 . 1 . . . . 77 ALA QB . 6933 1 886 . 1 1 77 77 ALA HB2 H 1 1.465 0.02 . 1 . . . . 77 ALA QB . 6933 1 887 . 1 1 77 77 ALA HB3 H 1 1.465 0.02 . 1 . . . . 77 ALA QB . 6933 1 888 . 1 1 77 77 ALA C C 13 180.759 0.3 . 1 . . . . 77 ALA C . 6933 1 889 . 1 1 77 77 ALA CA C 13 55.074 0.3 . 1 . . . . 77 ALA CA . 6933 1 890 . 1 1 77 77 ALA CB C 13 17.620 0.3 . 1 . . . . 77 ALA CB . 6933 1 891 . 1 1 77 77 ALA N N 15 118.592 0.1 . 1 . . . . 77 ALA N . 6933 1 892 . 1 1 78 78 THR H H 1 7.691 0.02 . 1 . . . . 78 THR H . 6933 1 893 . 1 1 78 78 THR HA H 1 3.666 0.02 . 1 . . . . 78 THR HA . 6933 1 894 . 1 1 78 78 THR HB H 1 4.163 0.02 . 1 . . . . 78 THR HB . 6933 1 895 . 1 1 78 78 THR HG21 H 1 1.029 0.02 . 1 . . . . 78 THR QG2 . 6933 1 896 . 1 1 78 78 THR HG22 H 1 1.029 0.02 . 1 . . . . 78 THR QG2 . 6933 1 897 . 1 1 78 78 THR HG23 H 1 1.029 0.02 . 1 . . . . 78 THR QG2 . 6933 1 898 . 1 1 78 78 THR C C 13 175.547 0.3 . 1 . . . . 78 THR C . 6933 1 899 . 1 1 78 78 THR CA C 13 67.027 0.3 . 1 . . . . 78 THR CA . 6933 1 900 . 1 1 78 78 THR CB C 13 68.621 0.3 . 1 . . . . 78 THR CB . 6933 1 901 . 1 1 78 78 THR CG2 C 13 21.339 0.3 . 1 . . . . 78 THR CG2 . 6933 1 902 . 1 1 78 78 THR N N 15 117.407 0.1 . 1 . . . . 78 THR N . 6933 1 903 . 1 1 79 79 VAL H H 1 7.670 0.02 . 1 . . . . 79 VAL H . 6933 1 904 . 1 1 79 79 VAL HA H 1 3.303 0.02 . 1 . . . . 79 VAL HA . 6933 1 905 . 1 1 79 79 VAL HB H 1 1.857 0.02 . 1 . . . . 79 VAL HB . 6933 1 906 . 1 1 79 79 VAL HG11 H 1 0.348 0.02 . 2 . . . . 79 VAL QG1 . 6933 1 907 . 1 1 79 79 VAL HG12 H 1 0.348 0.02 . 2 . . . . 79 VAL QG1 . 6933 1 908 . 1 1 79 79 VAL HG13 H 1 0.348 0.02 . 2 . . . . 79 VAL QG1 . 6933 1 909 . 1 1 79 79 VAL HG21 H 1 0.631 0.02 . 2 . . . . 79 VAL QG2 . 6933 1 910 . 1 1 79 79 VAL HG22 H 1 0.631 0.02 . 2 . . . . 79 VAL QG2 . 6933 1 911 . 1 1 79 79 VAL HG23 H 1 0.631 0.02 . 2 . . . . 79 VAL QG2 . 6933 1 912 . 1 1 79 79 VAL C C 13 179.717 0.3 . 1 . . . . 79 VAL C . 6933 1 913 . 1 1 79 79 VAL CA C 13 66.230 0.3 . 1 . . . . 79 VAL CA . 6933 1 914 . 1 1 79 79 VAL CB C 13 31.433 0.3 . 1 . . . . 79 VAL CB . 6933 1 915 . 1 1 79 79 VAL CG1 C 13 22.933 0.3 . 1 . . . . 79 VAL CG1 . 6933 1 916 . 1 1 79 79 VAL CG2 C 13 21.339 0.3 . 1 . . . . 79 VAL CG2 . 6933 1 917 . 1 1 79 79 VAL N N 15 122.225 0.1 . 1 . . . . 79 VAL N . 6933 1 918 . 1 1 80 80 LEU H H 1 8.131 0.02 . 1 . . . . 80 LEU H . 6933 1 919 . 1 1 80 80 LEU HA H 1 3.836 0.02 . 1 . . . . 80 LEU HA . 6933 1 920 . 1 1 80 80 LEU HB2 H 1 1.784 0.02 . 1 . . . . 80 LEU HB2 . 6933 1 921 . 1 1 80 80 LEU HB3 H 1 1.374 0.02 . 1 . . . . 80 LEU HB3 . 6933 1 922 . 1 1 80 80 LEU HG H 1 1.687 0.02 . 1 . . . . 80 LEU HG . 6933 1 923 . 1 1 80 80 LEU HD11 H 1 0.748 0.02 . 2 . . . . 80 LEU QD1 . 6933 1 924 . 1 1 80 80 LEU HD12 H 1 0.748 0.02 . 2 . . . . 80 LEU QD1 . 6933 1 925 . 1 1 80 80 LEU HD13 H 1 0.748 0.02 . 2 . . . . 80 LEU QD1 . 6933 1 926 . 1 1 80 80 LEU HD21 H 1 0.761 0.02 . 2 . . . . 80 LEU QD2 . 6933 1 927 . 1 1 80 80 LEU HD22 H 1 0.761 0.02 . 2 . . . . 80 LEU QD2 . 6933 1 928 . 1 1 80 80 LEU HD23 H 1 0.761 0.02 . 2 . . . . 80 LEU QD2 . 6933 1 929 . 1 1 80 80 LEU CA C 13 58.261 0.3 . 1 . . . . 80 LEU CA . 6933 1 930 . 1 1 80 80 LEU CB C 13 40.995 0.3 . 1 . . . . 80 LEU CB . 6933 1 931 . 1 1 80 80 LEU CG C 13 27.980 0.3 . 1 . . . . 80 LEU CG . 6933 1 932 . 1 1 80 80 LEU CD1 C 13 25.589 0.3 . 1 . . . . 80 LEU CD1 . 6933 1 933 . 1 1 80 80 LEU CD2 C 13 23.729 0.3 . 1 . . . . 80 LEU CD2 . 6933 1 934 . 1 1 80 80 LEU N N 15 117.321 0.1 . 1 . . . . 80 LEU N . 6933 1 935 . 1 1 81 81 ARG H H 1 8.019 0.02 . 1 . . . . 81 ARG H . 6933 1 936 . 1 1 81 81 ARG HA H 1 4.056 0.02 . 1 . . . . 81 ARG HA . 6933 1 937 . 1 1 81 81 ARG HB2 H 1 1.904 0.02 . 1 . . . . 81 ARG HB2 . 6933 1 938 . 1 1 81 81 ARG HG2 H 1 1.663 0.02 . 1 . . . . 81 ARG HG2 . 6933 1 939 . 1 1 81 81 ARG HD2 H 1 3.151 0.02 . 1 . . . . 81 ARG HD2 . 6933 1 940 . 1 1 81 81 ARG C C 13 177.028 0.3 . 1 . . . . 81 ARG C . 6933 1 941 . 1 1 81 81 ARG CA C 13 58.792 0.3 . 1 . . . . 81 ARG CA . 6933 1 942 . 1 1 81 81 ARG CB C 13 29.839 0.3 . 1 . . . . 81 ARG CB . 6933 1 943 . 1 1 81 81 ARG CG C 13 27.714 0.3 . 1 . . . . 81 ARG CG . 6933 1 944 . 1 1 81 81 ARG CD C 13 43.386 0.3 . 1 . . . . 81 ARG CD . 6933 1 945 . 1 1 81 81 ARG N N 15 121.794 0.1 . 1 . . . . 81 ARG N . 6933 1 946 . 1 1 82 82 ASN H H 1 7.355 0.02 . 1 . . . . 82 ASN H . 6933 1 947 . 1 1 82 82 ASN HA H 1 4.703 0.02 . 1 . . . . 82 ASN HA . 6933 1 948 . 1 1 82 82 ASN HB2 H 1 2.909 0.02 . 1 . . . . 82 ASN HB2 . 6933 1 949 . 1 1 82 82 ASN HB3 H 1 2.635 0.02 . 1 . . . . 82 ASN HB3 . 6933 1 950 . 1 1 82 82 ASN HD21 H 1 7.478 0.02 . 1 . . . . 82 ASN HD21 . 6933 1 951 . 1 1 82 82 ASN HD22 H 1 6.777 0.02 . 1 . . . . 82 ASN HD22 . 6933 1 952 . 1 1 82 82 ASN C C 13 175.476 0.3 . 1 . . . . 82 ASN C . 6933 1 953 . 1 1 82 82 ASN CA C 13 53.214 0.3 . 1 . . . . 82 ASN CA . 6933 1 954 . 1 1 82 82 ASN CB C 13 38.605 0.3 . 1 . . . . 82 ASN CB . 6933 1 955 . 1 1 82 82 ASN N N 15 116.250 0.1 . 1 . . . . 82 ASN N . 6933 1 956 . 1 1 82 82 ASN ND2 N 15 111.995 0.1 . 1 . . . . 82 ASN ND2 . 6933 1 957 . 1 1 83 83 THR H H 1 6.908 0.02 . 1 . . . . 83 THR H . 6933 1 958 . 1 1 83 83 THR HA H 1 4.044 0.02 . 1 . . . . 83 THR HA . 6933 1 959 . 1 1 83 83 THR HB H 1 4.308 0.02 . 1 . . . . 83 THR HB . 6933 1 960 . 1 1 83 83 THR HG21 H 1 1.294 0.02 . 1 . . . . 83 THR QG2 . 6933 1 961 . 1 1 83 83 THR HG22 H 1 1.294 0.02 . 1 . . . . 83 THR QG2 . 6933 1 962 . 1 1 83 83 THR HG23 H 1 1.294 0.02 . 1 . . . . 83 THR QG2 . 6933 1 963 . 1 1 83 83 THR C C 13 174.860 0.3 . 1 . . . . 83 THR C . 6933 1 964 . 1 1 83 83 THR CA C 13 61.714 0.3 . 1 . . . . 83 THR CA . 6933 1 965 . 1 1 83 83 THR CB C 13 71.277 0.3 . 1 . . . . 83 THR CB . 6933 1 966 . 1 1 83 83 THR CG2 C 13 22.667 0.3 . 1 . . . . 83 THR CG2 . 6933 1 967 . 1 1 83 83 THR N N 15 110.930 0.1 . 1 . . . . 83 THR N . 6933 1 968 . 1 1 84 84 LYS H H 1 8.741 0.02 . 1 . . . . 84 LYS H . 6933 1 969 . 1 1 84 84 LYS HA H 1 4.420 0.02 . 1 . . . . 84 LYS HA . 6933 1 970 . 1 1 84 84 LYS HB2 H 1 1.887 0.02 . 1 . . . . 84 LYS QB . 6933 1 971 . 1 1 84 84 LYS HB3 H 1 1.887 0.02 . 1 . . . . 84 LYS QB . 6933 1 972 . 1 1 84 84 LYS HG2 H 1 1.354 0.02 . 1 . . . . 84 LYS HG2 . 6933 1 973 . 1 1 84 84 LYS HG3 H 1 1.424 0.02 . 1 . . . . 84 LYS HG3 . 6933 1 974 . 1 1 84 84 LYS HD2 H 1 1.707 0.02 . 1 . . . . 84 LYS QD . 6933 1 975 . 1 1 84 84 LYS HD3 H 1 1.707 0.02 . 1 . . . . 84 LYS QD . 6933 1 976 . 1 1 84 84 LYS HE2 H 1 2.941 0.02 . 1 . . . . 84 LYS QE . 6933 1 977 . 1 1 84 84 LYS HE3 H 1 2.941 0.02 . 1 . . . . 84 LYS QE . 6933 1 978 . 1 1 84 84 LYS C C 13 175.216 0.3 . 1 . . . . 84 LYS C . 6933 1 979 . 1 1 84 84 LYS CA C 13 55.339 0.3 . 1 . . . . 84 LYS CA . 6933 1 980 . 1 1 84 84 LYS CB C 13 33.026 0.3 . 1 . . . . 84 LYS CB . 6933 1 981 . 1 1 84 84 LYS CG C 13 24.526 0.3 . 1 . . . . 84 LYS CG . 6933 1 982 . 1 1 84 84 LYS CD C 13 33.026 0.3 . 1 . . . . 84 LYS CD . 6933 1 983 . 1 1 84 84 LYS CE C 13 42.323 0.3 . 1 . . . . 84 LYS CE . 6933 1 984 . 1 1 84 84 LYS N N 15 121.443 0.1 . 1 . . . . 84 LYS N . 6933 1 985 . 1 1 85 85 GLY H H 1 8.245 0.02 . 1 . . . . 85 GLY H . 6933 1 986 . 1 1 85 85 GLY HA2 H 1 3.735 0.02 . 1 . . . . 85 GLY HA2 . 6933 1 987 . 1 1 85 85 GLY HA3 H 1 3.682 0.02 . 1 . . . . 85 GLY HA3 . 6933 1 988 . 1 1 85 85 GLY C C 13 172.788 0.3 . 1 . . . . 85 GLY C . 6933 1 989 . 1 1 85 85 GLY CA C 13 47.105 0.3 . 1 . . . . 85 GLY CA . 6933 1 990 . 1 1 85 85 GLY N N 15 107.640 0.1 . 1 . . . . 85 GLY N . 6933 1 991 . 1 1 86 86 ASN H H 1 7.600 0.02 . 1 . . . . 86 ASN H . 6933 1 992 . 1 1 86 86 ASN HA H 1 5.087 0.02 . 1 . . . . 86 ASN HA . 6933 1 993 . 1 1 86 86 ASN HB2 H 1 2.532 0.02 . 1 . . . . 86 ASN QB . 6933 1 994 . 1 1 86 86 ASN HB3 H 1 2.532 0.02 . 1 . . . . 86 ASN QB . 6933 1 995 . 1 1 86 86 ASN HD21 H 1 7.465 0.02 . 1 . . . . 86 ASN HD21 . 6933 1 996 . 1 1 86 86 ASN HD22 H 1 6.838 0.02 . 1 . . . . 86 ASN HD22 . 6933 1 997 . 1 1 86 86 ASN C C 13 174.339 0.3 . 1 . . . . 86 ASN C . 6933 1 998 . 1 1 86 86 ASN CA C 13 52.949 0.3 . 1 . . . . 86 ASN CA . 6933 1 999 . 1 1 86 86 ASN CB C 13 39.933 0.3 . 1 . . . . 86 ASN CB . 6933 1 1000 . 1 1 86 86 ASN N N 15 119.714 0.1 . 1 . . . . 86 ASN N . 6933 1 1001 . 1 1 86 86 ASN ND2 N 15 111.995 0.1 . 1 . . . . 86 ASN ND2 . 6933 1 1002 . 1 1 87 87 VAL H H 1 9.046 0.02 . 1 . . . . 87 VAL H . 6933 1 1003 . 1 1 87 87 VAL HA H 1 4.201 0.02 . 1 . . . . 87 VAL HA . 6933 1 1004 . 1 1 87 87 VAL HB H 1 1.645 0.02 . 1 . . . . 87 VAL HB . 6933 1 1005 . 1 1 87 87 VAL HG11 H 1 0.213 0.02 . 2 . . . . 87 VAL QG1 . 6933 1 1006 . 1 1 87 87 VAL HG12 H 1 0.213 0.02 . 2 . . . . 87 VAL QG1 . 6933 1 1007 . 1 1 87 87 VAL HG13 H 1 0.213 0.02 . 2 . . . . 87 VAL QG1 . 6933 1 1008 . 1 1 87 87 VAL HG21 H 1 0.781 0.02 . 2 . . . . 87 VAL QG2 . 6933 1 1009 . 1 1 87 87 VAL HG22 H 1 0.781 0.02 . 2 . . . . 87 VAL QG2 . 6933 1 1010 . 1 1 87 87 VAL HG23 H 1 0.781 0.02 . 2 . . . . 87 VAL QG2 . 6933 1 1011 . 1 1 87 87 VAL C C 13 173.984 0.3 . 1 . . . . 87 VAL C . 6933 1 1012 . 1 1 87 87 VAL CA C 13 61.449 0.3 . 1 . . . . 87 VAL CA . 6933 1 1013 . 1 1 87 87 VAL CB C 13 34.089 0.3 . 1 . . . . 87 VAL CB . 6933 1 1014 . 1 1 87 87 VAL CG1 C 13 22.933 0.3 . 1 . . . . 87 VAL CG1 . 6933 1 1015 . 1 1 87 87 VAL CG2 C 13 22.136 0.3 . 1 . . . . 87 VAL CG2 . 6933 1 1016 . 1 1 87 87 VAL N N 15 127.044 0.1 . 1 . . . . 87 VAL N . 6933 1 1017 . 1 1 88 88 ARG H H 1 8.612 0.02 . 1 . . . . 88 ARG H . 6933 1 1018 . 1 1 88 88 ARG HA H 1 4.774 0.02 . 1 . . . . 88 ARG HA . 6933 1 1019 . 1 1 88 88 ARG HB2 H 1 1.818 0.02 . 1 . . . . 88 ARG HB2 . 6933 1 1020 . 1 1 88 88 ARG HB3 H 1 1.655 0.02 . 1 . . . . 88 ARG HB3 . 6933 1 1021 . 1 1 88 88 ARG HG2 H 1 1.397 0.02 . 1 . . . . 88 ARG HG2 . 6933 1 1022 . 1 1 88 88 ARG HG3 H 1 1.503 0.02 . 1 . . . . 88 ARG HG3 . 6933 1 1023 . 1 1 88 88 ARG HD2 H 1 3.081 0.02 . 1 . . . . 88 ARG QD . 6933 1 1024 . 1 1 88 88 ARG HD3 H 1 3.081 0.02 . 1 . . . . 88 ARG QD . 6933 1 1025 . 1 1 88 88 ARG C C 13 175.287 0.3 . 1 . . . . 88 ARG C . 6933 1 1026 . 1 1 88 88 ARG CA C 13 55.074 0.3 . 1 . . . . 88 ARG CA . 6933 1 1027 . 1 1 88 88 ARG CB C 13 31.167 0.3 . 1 . . . . 88 ARG CB . 6933 1 1028 . 1 1 88 88 ARG CG C 13 27.980 0.3 . 1 . . . . 88 ARG CG . 6933 1 1029 . 1 1 88 88 ARG CD C 13 43.386 0.3 . 1 . . . . 88 ARG CD . 6933 1 1030 . 1 1 88 88 ARG N N 15 126.356 0.1 . 1 . . . . 88 ARG N . 6933 1 1031 . 1 1 89 89 PHE H H 1 9.359 0.02 . 1 . . . . 89 PHE H . 6933 1 1032 . 1 1 89 89 PHE HA H 1 5.358 0.02 . 1 . . . . 89 PHE HA . 6933 1 1033 . 1 1 89 89 PHE HB2 H 1 2.938 0.02 . 1 . . . . 89 PHE HB2 . 6933 1 1034 . 1 1 89 89 PHE HB3 H 1 2.778 0.02 . 1 . . . . 89 PHE HB3 . 6933 1 1035 . 1 1 89 89 PHE HD1 H 1 7.096 0.02 . 1 . . . . 89 PHE QD . 6933 1 1036 . 1 1 89 89 PHE HD2 H 1 7.096 0.02 . 1 . . . . 89 PHE QD . 6933 1 1037 . 1 1 89 89 PHE HE1 H 1 6.871 0.02 . 1 . . . . 89 PHE QE . 6933 1 1038 . 1 1 89 89 PHE HE2 H 1 6.871 0.02 . 1 . . . . 89 PHE QE . 6933 1 1039 . 1 1 89 89 PHE HZ H 1 6.936 0.02 . 1 . . . . 89 PHE HZ . 6933 1 1040 . 1 1 89 89 PHE C C 13 178.070 0.3 . 1 . . . . 89 PHE C . 6933 1 1041 . 1 1 89 89 PHE CA C 13 56.136 0.3 . 1 . . . . 89 PHE CA . 6933 1 1042 . 1 1 89 89 PHE CB C 13 42.855 0.3 . 1 . . . . 89 PHE CB . 6933 1 1043 . 1 1 89 89 PHE N N 15 122.199 0.1 . 1 . . . . 89 PHE N . 6933 1 1044 . 1 1 90 90 VAL H H 1 8.319 0.02 . 1 . . . . 90 VAL H . 6933 1 1045 . 1 1 90 90 VAL HA H 1 4.115 0.02 . 1 . . . . 90 VAL HA . 6933 1 1046 . 1 1 90 90 VAL HB H 1 1.604 0.02 . 1 . . . . 90 VAL HB . 6933 1 1047 . 1 1 90 90 VAL HG11 H 1 0.704 0.02 . 2 . . . . 90 VAL QG1 . 6933 1 1048 . 1 1 90 90 VAL HG12 H 1 0.704 0.02 . 2 . . . . 90 VAL QG1 . 6933 1 1049 . 1 1 90 90 VAL HG13 H 1 0.704 0.02 . 2 . . . . 90 VAL QG1 . 6933 1 1050 . 1 1 90 90 VAL HG21 H 1 0.627 0.02 . 2 . . . . 90 VAL QG2 . 6933 1 1051 . 1 1 90 90 VAL HG22 H 1 0.627 0.02 . 2 . . . . 90 VAL QG2 . 6933 1 1052 . 1 1 90 90 VAL HG23 H 1 0.627 0.02 . 2 . . . . 90 VAL QG2 . 6933 1 1053 . 1 1 90 90 VAL C C 13 173.925 0.3 . 1 . . . . 90 VAL C . 6933 1 1054 . 1 1 90 90 VAL CA C 13 64.371 0.3 . 1 . . . . 90 VAL CA . 6933 1 1055 . 1 1 90 90 VAL CB C 13 33.026 0.3 . 1 . . . . 90 VAL CB . 6933 1 1056 . 1 1 90 90 VAL CG1 C 13 21.073 0.3 . 1 . . . . 90 VAL CG1 . 6933 1 1057 . 1 1 90 90 VAL CG2 C 13 21.604 0.3 . 1 . . . . 90 VAL CG2 . 6933 1 1058 . 1 1 90 90 VAL N N 15 121.096 0.1 . 1 . . . . 90 VAL N . 6933 1 1059 . 1 1 91 91 ILE H H 1 8.682 0.02 . 1 . . . . 91 ILE H . 6933 1 1060 . 1 1 91 91 ILE HA H 1 4.740 0.02 . 1 . . . . 91 ILE HA . 6933 1 1061 . 1 1 91 91 ILE HB H 1 0.834 0.02 . 1 . . . . 91 ILE HB . 6933 1 1062 . 1 1 91 91 ILE HG12 H 1 1.172 0.02 . 1 . . . . 91 ILE HG12 . 6933 1 1063 . 1 1 91 91 ILE HG13 H 1 0.840 0.02 . 1 . . . . 91 ILE HG13 . 6933 1 1064 . 1 1 91 91 ILE HG21 H 1 0.626 0.02 . 1 . . . . 91 ILE QG2 . 6933 1 1065 . 1 1 91 91 ILE HG22 H 1 0.626 0.02 . 1 . . . . 91 ILE QG2 . 6933 1 1066 . 1 1 91 91 ILE HG23 H 1 0.626 0.02 . 1 . . . . 91 ILE QG2 . 6933 1 1067 . 1 1 91 91 ILE HD11 H 1 0.372 0.02 . 1 . . . . 91 ILE QD1 . 6933 1 1068 . 1 1 91 91 ILE HD12 H 1 0.372 0.02 . 1 . . . . 91 ILE QD1 . 6933 1 1069 . 1 1 91 91 ILE HD13 H 1 0.372 0.02 . 1 . . . . 91 ILE QD1 . 6933 1 1070 . 1 1 91 91 ILE C C 13 173.557 0.3 . 1 . . . . 91 ILE C . 6933 1 1071 . 1 1 91 91 ILE CA C 13 56.136 0.3 . 1 . . . . 91 ILE CA . 6933 1 1072 . 1 1 91 91 ILE CB C 13 37.011 0.3 . 1 . . . . 91 ILE CB . 6933 1 1073 . 1 1 91 91 ILE CG1 C 13 27.183 0.3 . 1 . . . . 91 ILE CG1 . 6933 1 1074 . 1 1 91 91 ILE CG2 C 13 19.214 0.3 . 1 . . . . 91 ILE CG2 . 6933 1 1075 . 1 1 91 91 ILE CD1 C 13 10.182 0.3 . 1 . . . . 91 ILE CD1 . 6933 1 1076 . 1 1 91 91 ILE N N 15 130.565 0.1 . 1 . . . . 91 ILE N . 6933 1 1077 . 1 1 92 92 GLY H H 1 9.136 0.02 . 1 . . . . 92 GLY H . 6933 1 1078 . 1 1 92 92 GLY HA2 H 1 5.342 0.02 . 1 . . . . 92 GLY HA2 . 6933 1 1079 . 1 1 92 92 GLY HA3 H 1 3.220 0.02 . 1 . . . . 92 GLY HA3 . 6933 1 1080 . 1 1 92 92 GLY C C 13 172.172 0.3 . 1 . . . . 92 GLY C . 6933 1 1081 . 1 1 92 92 GLY CA C 13 44.183 0.3 . 1 . . . . 92 GLY CA . 6933 1 1082 . 1 1 92 92 GLY N N 15 110.579 0.1 . 1 . . . . 92 GLY N . 6933 1 1083 . 1 1 93 93 ARG H H 1 8.724 0.02 . 1 . . . . 93 ARG H . 6933 1 1084 . 1 1 93 93 ARG HA H 1 4.849 0.02 . 1 . . . . 93 ARG HA . 6933 1 1085 . 1 1 93 93 ARG HB2 H 1 1.804 0.02 . 1 . . . . 93 ARG HB2 . 6933 1 1086 . 1 1 93 93 ARG HB3 H 1 1.899 0.02 . 1 . . . . 93 ARG HB3 . 6933 1 1087 . 1 1 93 93 ARG HG2 H 1 1.645 0.02 . 1 . . . . 93 ARG HG2 . 6933 1 1088 . 1 1 93 93 ARG HG3 H 1 1.792 0.02 . 1 . . . . 93 ARG HG3 . 6933 1 1089 . 1 1 93 93 ARG HD2 H 1 2.996 0.02 . 1 . . . . 93 ARG HD2 . 6933 1 1090 . 1 1 93 93 ARG HD3 H 1 3.191 0.02 . 1 . . . . 93 ARG HD3 . 6933 1 1091 . 1 1 93 93 ARG CA C 13 55.605 0.3 . 1 . . . . 93 ARG CA . 6933 1 1092 . 1 1 93 93 ARG CB C 13 35.152 0.3 . 1 . . . . 93 ARG CB . 6933 1 1093 . 1 1 93 93 ARG CG C 13 26.386 0.3 . 1 . . . . 93 ARG CG . 6933 1 1094 . 1 1 93 93 ARG CD C 13 43.652 0.3 . 1 . . . . 93 ARG CD . 6933 1 1095 . 1 1 93 93 ARG N N 15 125.106 0.1 . 1 . . . . 93 ARG N . 6933 1 1096 . 1 1 94 94 GLU H H 1 8.362 0.02 . 1 . . . . 94 GLU H . 6933 1 1097 . 1 1 94 94 GLU HA H 1 4.312 0.02 . 1 . . . . 94 GLU HA . 6933 1 1098 . 1 1 94 94 GLU HB2 H 1 1.962 0.02 . 1 . . . . 94 GLU HB2 . 6933 1 1099 . 1 1 94 94 GLU HB3 H 1 1.845 0.02 . 1 . . . . 94 GLU HB3 . 6933 1 1100 . 1 1 94 94 GLU HG2 H 1 2.184 0.02 . 1 . . . . 94 GLU HG2 . 6933 1 1101 . 1 1 94 94 GLU HG3 H 1 2.134 0.02 . 1 . . . . 94 GLU HG3 . 6933 1 1102 . 1 1 94 94 GLU CA C 13 57.996 0.3 . 1 . . . . 94 GLU CA . 6933 1 1103 . 1 1 94 94 GLU CB C 13 31.698 0.3 . 1 . . . . 94 GLU CB . 6933 1 1104 . 1 1 94 94 GLU CG C 13 36.745 0.3 . 1 . . . . 94 GLU CG . 6933 1 1105 . 1 1 94 94 GLU N N 15 132.939 0.1 . 1 . . . . 94 GLU N . 6933 1 stop_ save_