data_15109 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15109 _Entry.Title ; Solution structure of the CUL7-CPH domain from Homo Sapiens; Northeast Structural Genomics Consortium target HT1. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-23 _Entry.Accession_date 2007-01-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alexander Lemak . . . 15109 2 Lilia Kaustov . . . 15109 3 Jonathan Lukin . . . 15109 4 Shili Duan . . . 15109 5 Cheryl Arrowsmith . H. . 15109 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15109 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'p53 binding domain' . 15109 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15109 spectral_peak_list 3 15109 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 404 15109 '15N chemical shifts' 105 15109 '1H chemical shifts' 677 15109 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 2 . . 2010-05-25 2007-01-23 update BMRB 'update entity name' 15109 1 . . 2007-05-21 2007-01-23 original author 'original release' 15109 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JNG 'BMRB Entry Tracking System' 15109 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15109 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17298945 _Citation.Full_citation . _Citation.Title 'The conserved CPH domains of Cul7 and PARC are protein-protein interaction modules that bind the tetramerization domain of P53' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 15 _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 11300 _Citation.Page_last 11307 _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 Lilia Kaustov . . . 15109 1 2 Jonathan Lukin . . . 15109 1 3 Alexander Lemak . . . 15109 1 4 Shili Duan . . . 15109 1 5 Melissa Ho . . . 15109 1 6 Ryan Doherty . . . 15109 1 7 Liinda Penn . Z. . 15109 1 8 Cheryl Arrowsmith . H. . 15109 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15109 _Assembly.ID 1 _Assembly.Name 'CPH domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CPH domain' 1 $entity A . yes native no no . . . 15109 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15109 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CPH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMRSEFASGNTYALYVRD TLQPGMRVRMLDDYEEISAG DEGEFRQSNNGVPPVQVFWE STGRTYWVHWHMLEILGFEE DIEDMVEADEYQGAVASRVL GRALP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues 1-4 represent a non-native tag; residues 80-105 represent unstructured part of the protein.' _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9327.353 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JNG . "Solution Structure Of The Cul7-Cph Domain From Homo Sapiens; Northeast Structural Genomics Consortium Target Ht1" . . . . . 100.00 105 100.00 100.00 2.04e-70 . . . . 15109 1 2 no DBJ BAA07551 . "KIAA0076 [Homo sapiens]" . . . . . 96.19 1698 100.00 100.00 3.75e-61 . . . . 15109 1 3 no DBJ BAF85495 . "unnamed protein product [Homo sapiens]" . . . . . 96.19 1698 100.00 100.00 3.47e-61 . . . . 15109 1 4 no DBJ BAG09593 . "cullin-7 [synthetic construct]" . . . . . 96.19 1698 100.00 100.00 3.75e-61 . . . . 15109 1 5 no DBJ BAG63902 . "unnamed protein product [Homo sapiens]" . . . . . 96.19 1782 100.00 100.00 4.16e-61 . . . . 15109 1 6 no EMBL CAH90514 . "hypothetical protein [Pongo abelii]" . . . . . 96.19 1729 98.02 99.01 7.72e-60 . . . . 15109 1 7 no GB AAH33647 . "Cullin 7 [Homo sapiens]" . . . . . 96.19 1698 100.00 100.00 3.75e-61 . . . . 15109 1 8 no GB EAX04144 . "cullin 7, isoform CRA_a [Homo sapiens]" . . . . . 76.19 409 100.00 100.00 1.48e-48 . . . . 15109 1 9 no GB EAX04145 . "cullin 7, isoform CRA_b [Homo sapiens]" . . . . . 96.19 1698 100.00 100.00 3.75e-61 . . . . 15109 1 10 no REF NP_001125271 . "cullin-7 [Pongo abelii]" . . . . . 96.19 1729 98.02 99.01 7.72e-60 . . . . 15109 1 11 no REF NP_001161842 . "cullin-7 isoform 1 [Homo sapiens]" . . . . . 96.19 1782 100.00 100.00 3.85e-61 . . . . 15109 1 12 no REF NP_055595 . "cullin-7 isoform 2 [Homo sapiens]" . . . . . 96.19 1698 100.00 100.00 3.47e-61 . . . . 15109 1 13 no REF XP_001136655 . "PREDICTED: cullin-7 isoform X5 [Pan troglodytes]" . . . . . 96.19 1698 100.00 100.00 3.11e-61 . . . . 15109 1 14 no REF XP_003311343 . "PREDICTED: cullin-7 isoform X4 [Pan troglodytes]" . . . . . 96.19 1782 100.00 100.00 3.89e-61 . . . . 15109 1 15 no SP Q14999 . "RecName: Full=Cullin-7; Short=CUL-7" . . . . . 96.19 1698 100.00 100.00 3.47e-61 . . . . 15109 1 16 no SP Q5RCJ3 . "RecName: Full=Cullin-7; Short=CUL-7" . . . . . 96.19 1729 98.02 99.01 7.72e-60 . . . . 15109 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 . 15109 1 2 . SER . 15109 1 3 . HIS . 15109 1 4 . MET . 15109 1 5 . ARG . 15109 1 6 . SER . 15109 1 7 . GLU . 15109 1 8 . PHE . 15109 1 9 . ALA . 15109 1 10 . SER . 15109 1 11 . GLY . 15109 1 12 . ASN . 15109 1 13 . THR . 15109 1 14 . TYR . 15109 1 15 . ALA . 15109 1 16 . LEU . 15109 1 17 . TYR . 15109 1 18 . VAL . 15109 1 19 . ARG . 15109 1 20 . ASP . 15109 1 21 . THR . 15109 1 22 . LEU . 15109 1 23 . GLN . 15109 1 24 . PRO . 15109 1 25 . GLY . 15109 1 26 . MET . 15109 1 27 . ARG . 15109 1 28 . VAL . 15109 1 29 . ARG . 15109 1 30 . MET . 15109 1 31 . LEU . 15109 1 32 . ASP . 15109 1 33 . ASP . 15109 1 34 . TYR . 15109 1 35 . GLU . 15109 1 36 . GLU . 15109 1 37 . ILE . 15109 1 38 . SER . 15109 1 39 . ALA . 15109 1 40 . GLY . 15109 1 41 . ASP . 15109 1 42 . GLU . 15109 1 43 . GLY . 15109 1 44 . GLU . 15109 1 45 . PHE . 15109 1 46 . ARG . 15109 1 47 . GLN . 15109 1 48 . SER . 15109 1 49 . ASN . 15109 1 50 . ASN . 15109 1 51 . GLY . 15109 1 52 . VAL . 15109 1 53 . PRO . 15109 1 54 . PRO . 15109 1 55 . VAL . 15109 1 56 . GLN . 15109 1 57 . VAL . 15109 1 58 . PHE . 15109 1 59 . TRP . 15109 1 60 . GLU . 15109 1 61 . SER . 15109 1 62 . THR . 15109 1 63 . GLY . 15109 1 64 . ARG . 15109 1 65 . THR . 15109 1 66 . TYR . 15109 1 67 . TRP . 15109 1 68 . VAL . 15109 1 69 . HIS . 15109 1 70 . TRP . 15109 1 71 . HIS . 15109 1 72 . MET . 15109 1 73 . LEU . 15109 1 74 . GLU . 15109 1 75 . ILE . 15109 1 76 . LEU . 15109 1 77 . GLY . 15109 1 78 . PHE . 15109 1 79 . GLU . 15109 1 80 . GLU . 15109 1 81 . ASP . 15109 1 82 . ILE . 15109 1 83 . GLU . 15109 1 84 . ASP . 15109 1 85 . MET . 15109 1 86 . VAL . 15109 1 87 . GLU . 15109 1 88 . ALA . 15109 1 89 . ASP . 15109 1 90 . GLU . 15109 1 91 . TYR . 15109 1 92 . GLN . 15109 1 93 . GLY . 15109 1 94 . ALA . 15109 1 95 . VAL . 15109 1 96 . ALA . 15109 1 97 . SER . 15109 1 98 . ARG . 15109 1 99 . VAL . 15109 1 100 . LEU . 15109 1 101 . GLY . 15109 1 102 . ARG . 15109 1 103 . ALA . 15109 1 104 . LEU . 15109 1 105 . PRO . 15109 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 15109 1 . SER 2 2 15109 1 . HIS 3 3 15109 1 . MET 4 4 15109 1 . ARG 5 5 15109 1 . SER 6 6 15109 1 . GLU 7 7 15109 1 . PHE 8 8 15109 1 . ALA 9 9 15109 1 . SER 10 10 15109 1 . GLY 11 11 15109 1 . ASN 12 12 15109 1 . THR 13 13 15109 1 . TYR 14 14 15109 1 . ALA 15 15 15109 1 . LEU 16 16 15109 1 . TYR 17 17 15109 1 . VAL 18 18 15109 1 . ARG 19 19 15109 1 . ASP 20 20 15109 1 . THR 21 21 15109 1 . LEU 22 22 15109 1 . GLN 23 23 15109 1 . PRO 24 24 15109 1 . GLY 25 25 15109 1 . MET 26 26 15109 1 . ARG 27 27 15109 1 . VAL 28 28 15109 1 . ARG 29 29 15109 1 . MET 30 30 15109 1 . LEU 31 31 15109 1 . ASP 32 32 15109 1 . ASP 33 33 15109 1 . TYR 34 34 15109 1 . GLU 35 35 15109 1 . GLU 36 36 15109 1 . ILE 37 37 15109 1 . SER 38 38 15109 1 . ALA 39 39 15109 1 . GLY 40 40 15109 1 . ASP 41 41 15109 1 . GLU 42 42 15109 1 . GLY 43 43 15109 1 . GLU 44 44 15109 1 . PHE 45 45 15109 1 . ARG 46 46 15109 1 . GLN 47 47 15109 1 . SER 48 48 15109 1 . ASN 49 49 15109 1 . ASN 50 50 15109 1 . GLY 51 51 15109 1 . VAL 52 52 15109 1 . PRO 53 53 15109 1 . PRO 54 54 15109 1 . VAL 55 55 15109 1 . GLN 56 56 15109 1 . VAL 57 57 15109 1 . PHE 58 58 15109 1 . TRP 59 59 15109 1 . GLU 60 60 15109 1 . SER 61 61 15109 1 . THR 62 62 15109 1 . GLY 63 63 15109 1 . ARG 64 64 15109 1 . THR 65 65 15109 1 . TYR 66 66 15109 1 . TRP 67 67 15109 1 . VAL 68 68 15109 1 . HIS 69 69 15109 1 . TRP 70 70 15109 1 . HIS 71 71 15109 1 . MET 72 72 15109 1 . LEU 73 73 15109 1 . GLU 74 74 15109 1 . ILE 75 75 15109 1 . LEU 76 76 15109 1 . GLY 77 77 15109 1 . PHE 78 78 15109 1 . GLU 79 79 15109 1 . GLU 80 80 15109 1 . ASP 81 81 15109 1 . ILE 82 82 15109 1 . GLU 83 83 15109 1 . ASP 84 84 15109 1 . MET 85 85 15109 1 . VAL 86 86 15109 1 . GLU 87 87 15109 1 . ALA 88 88 15109 1 . ASP 89 89 15109 1 . GLU 90 90 15109 1 . TYR 91 91 15109 1 . GLN 92 92 15109 1 . GLY 93 93 15109 1 . ALA 94 94 15109 1 . VAL 95 95 15109 1 . ALA 96 96 15109 1 . SER 97 97 15109 1 . ARG 98 98 15109 1 . VAL 99 99 15109 1 . LEU 100 100 15109 1 . GLY 101 101 15109 1 . ARG 102 102 15109 1 . ALA 103 103 15109 1 . LEU 104 104 15109 1 . PRO 105 105 15109 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 15109 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15109 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 15109 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . 'pet 15b' . . . . . . 15109 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15109 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CPH domain' '[U-15N; U-13C]' . . 1 $entity . . 0.7 . . mM . . . . 15109 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 15109 1 3 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 15109 1 4 H2O 'natural abundance' . . . . . . 55 . . M . . . . 15109 1 5 PMSF 'natural abundance' . . . . . . 0.5 . . mM . . . . 15109 1 6 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 15109 1 7 Benzamidine 'natural abundance' . . . . . . 1 . . mM . . . . 15109 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15109 _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' 250 . mM 15109 1 pH 7.4 . pH 15109 1 pressure 1 . atm 15109 1 temperature 298 . K 15109 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15109 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15109 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15109 1 'structure solution' 15109 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15109 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15109 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15109 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15109 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.106 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15109 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15109 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15109 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15109 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15109 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15109 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15109 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15109 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 15109 1 2 spectrometer_2 Bruker Avance . 600 . . . 15109 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15109 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using a combination of NOE and HN residual dipolar coupling data.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15109 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15109 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15109 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15109 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15109 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15109 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15109 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15109 1 9 '3D (13C/15N) NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15109 1 10 '3D 13C_aromatic NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15109 1 11 '3D (H)C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15109 1 12 'Jmodulated N15 HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15109 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15109 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15109 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15109 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15109 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15109 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15109 1 2 '2D 1H-13C HSQC' . . . 15109 1 3 '3D CBCA(CO)NH' . . . 15109 1 4 '3D HNCO' . . . 15109 1 5 '3D HNCACB' . . . 15109 1 6 '3D HBHA(CO)NH' . . . 15109 1 7 '3D H(CCO)NH' . . . 15109 1 8 '3D HCCH-TOCSY' . . . 15109 1 9 '3D (13C/15N) NOESY' . . . 15109 1 10 '3D 13C_aromatic NOESY' . . . 15109 1 11 '3D (H)C(CO)NH' . . . 15109 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 2 $NMRPipe . . 15109 1 3 $SPARKY . . 15109 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.881 0.400 . 1 . . . . 1 GLY HA2 . 15109 1 2 . 1 1 1 1 GLY HA3 H 1 3.881 0.400 . 1 . . . . 1 GLY HA3 . 15109 1 3 . 1 1 1 1 GLY C C 13 173.848 0.400 . 1 . . . . 1 GLY C . 15109 1 4 . 1 1 1 1 GLY CA C 13 45.288 0.400 . 1 . . . . 1 GLY CA . 15109 1 5 . 1 1 2 2 SER H H 1 8.018 0.020 . 1 . . . . 2 SER H . 15109 1 6 . 1 1 2 2 SER HA H 1 4.371 0.020 . 1 . . . . 2 SER HA . 15109 1 7 . 1 1 2 2 SER HB2 H 1 3.828 0.400 . 1 . . . . 2 SER HB2 . 15109 1 8 . 1 1 2 2 SER HB3 H 1 3.828 0.400 . 1 . . . . 2 SER HB3 . 15109 1 9 . 1 1 2 2 SER C C 13 173.848 0.400 . 1 . . . . 2 SER C . 15109 1 10 . 1 1 2 2 SER CA C 13 58.287 0.400 . 1 . . . . 2 SER CA . 15109 1 11 . 1 1 2 2 SER CB C 13 63.916 0.400 . 1 . . . . 2 SER CB . 15109 1 12 . 1 1 2 2 SER N N 15 120.389 0.400 . 1 . . . . 2 SER N . 15109 1 13 . 1 1 3 3 HIS H H 1 7.941 0.020 . 1 . . . . 3 HIS H . 15109 1 14 . 1 1 3 3 HIS HA H 1 4.697 0.020 . 1 . . . . 3 HIS HA . 15109 1 15 . 1 1 3 3 HIS HB2 H 1 2.780 0.020 . 2 . . . . 3 HIS HB2 . 15109 1 16 . 1 1 3 3 HIS HB3 H 1 2.977 0.020 . 2 . . . . 3 HIS HB3 . 15109 1 17 . 1 1 3 3 HIS C C 13 174.822 0.400 . 1 . . . . 3 HIS C . 15109 1 18 . 1 1 3 3 HIS CA C 13 55.965 0.400 . 1 . . . . 3 HIS CA . 15109 1 19 . 1 1 3 3 HIS CB C 13 30.779 0.400 . 1 . . . . 3 HIS CB . 15109 1 20 . 1 1 3 3 HIS N N 15 127.858 0.400 . 1 . . . . 3 HIS N . 15109 1 21 . 1 1 4 4 MET H H 1 8.523 0.020 . 1 . . . . 4 MET H . 15109 1 22 . 1 1 4 4 MET HA H 1 4.690 0.020 . 1 . . . . 4 MET HA . 15109 1 23 . 1 1 4 4 MET HB2 H 1 1.997 0.020 . 2 . . . . 4 MET HB2 . 15109 1 24 . 1 1 4 4 MET HB3 H 1 2.141 0.020 . 2 . . . . 4 MET HB3 . 15109 1 25 . 1 1 4 4 MET HG2 H 1 2.543 0.020 . 2 . . . . 4 MET HG2 . 15109 1 26 . 1 1 4 4 MET HG3 H 1 2.604 0.020 . 2 . . . . 4 MET HG3 . 15109 1 27 . 1 1 4 4 MET C C 13 177.337 0.400 . 1 . . . . 4 MET C . 15109 1 28 . 1 1 4 4 MET CA C 13 55.009 0.400 . 1 . . . . 4 MET CA . 15109 1 29 . 1 1 4 4 MET CB C 13 34.168 0.400 . 1 . . . . 4 MET CB . 15109 1 30 . 1 1 4 4 MET CG C 13 32.255 0.400 . 1 . . . . 4 MET CG . 15109 1 31 . 1 1 4 4 MET N N 15 120.645 0.400 . 1 . . . . 4 MET N . 15109 1 32 . 1 1 5 5 ARG H H 1 8.596 0.020 . 1 . . . . 5 ARG H . 15109 1 33 . 1 1 5 5 ARG HA H 1 3.202 0.020 . 1 . . . . 5 ARG HA . 15109 1 34 . 1 1 5 5 ARG HB2 H 1 1.636 0.020 . 2 . . . . 5 ARG HB2 . 15109 1 35 . 1 1 5 5 ARG HB3 H 1 0.735 0.020 . 2 . . . . 5 ARG HB3 . 15109 1 36 . 1 1 5 5 ARG HG2 H 1 1.252 0.020 . 2 . . . . 5 ARG HG2 . 15109 1 37 . 1 1 5 5 ARG HG3 H 1 0.990 0.020 . 2 . . . . 5 ARG HG3 . 15109 1 38 . 1 1 5 5 ARG HD2 H 1 3.176 0.020 . 2 . . . . 5 ARG HD2 . 15109 1 39 . 1 1 5 5 ARG HD3 H 1 2.913 0.020 . 2 . . . . 5 ARG HD3 . 15109 1 40 . 1 1 5 5 ARG C C 13 177.622 0.400 . 1 . . . . 5 ARG C . 15109 1 41 . 1 1 5 5 ARG CA C 13 60.077 0.400 . 1 . . . . 5 ARG CA . 15109 1 42 . 1 1 5 5 ARG CB C 13 30.670 0.400 . 1 . . . . 5 ARG CB . 15109 1 43 . 1 1 5 5 ARG CG C 13 26.210 0.400 . 1 . . . . 5 ARG CG . 15109 1 44 . 1 1 5 5 ARG CD C 13 44.182 0.400 . 1 . . . . 5 ARG CD . 15109 1 45 . 1 1 5 5 ARG N N 15 122.585 0.400 . 1 . . . . 5 ARG N . 15109 1 46 . 1 1 6 6 SER H H 1 8.083 0.020 . 1 . . . . 6 SER H . 15109 1 47 . 1 1 6 6 SER HA H 1 4.189 0.020 . 1 . . . . 6 SER HA . 15109 1 48 . 1 1 6 6 SER HB2 H 1 3.961 0.400 . 1 . . . . 6 SER HB2 . 15109 1 49 . 1 1 6 6 SER HB3 H 1 3.961 0.400 . 1 . . . . 6 SER HB3 . 15109 1 50 . 1 1 6 6 SER C C 13 175.161 0.400 . 1 . . . . 6 SER C . 15109 1 51 . 1 1 6 6 SER CA C 13 59.790 0.400 . 1 . . . . 6 SER CA . 15109 1 52 . 1 1 6 6 SER CB C 13 62.823 0.400 . 1 . . . . 6 SER CB . 15109 1 53 . 1 1 6 6 SER N N 15 112.270 0.400 . 1 . . . . 6 SER N . 15109 1 54 . 1 1 7 7 GLU H H 1 8.055 0.020 . 1 . . . . 7 GLU H . 15109 1 55 . 1 1 7 7 GLU HA H 1 4.111 0.020 . 1 . . . . 7 GLU HA . 15109 1 56 . 1 1 7 7 GLU HB2 H 1 1.900 0.400 . 1 . . . . 7 GLU HB2 . 15109 1 57 . 1 1 7 7 GLU HB3 H 1 1.900 0.400 . 1 . . . . 7 GLU HB3 . 15109 1 58 . 1 1 7 7 GLU HG2 H 1 2.122 0.400 . 1 . . . . 7 GLU HG2 . 15109 1 59 . 1 1 7 7 GLU HG3 H 1 2.122 0.400 . 1 . . . . 7 GLU HG3 . 15109 1 60 . 1 1 7 7 GLU C C 13 176.233 0.400 . 1 . . . . 7 GLU C . 15109 1 61 . 1 1 7 7 GLU CA C 13 56.785 0.400 . 1 . . . . 7 GLU CA . 15109 1 62 . 1 1 7 7 GLU CB C 13 29.666 0.400 . 1 . . . . 7 GLU CB . 15109 1 63 . 1 1 7 7 GLU CG C 13 37.269 0.400 . 1 . . . . 7 GLU CG . 15109 1 64 . 1 1 7 7 GLU N N 15 120.319 0.400 . 1 . . . . 7 GLU N . 15109 1 65 . 1 1 8 8 PHE H H 1 7.747 0.020 . 1 . . . . 8 PHE H . 15109 1 66 . 1 1 8 8 PHE HA H 1 4.434 0.020 . 1 . . . . 8 PHE HA . 15109 1 67 . 1 1 8 8 PHE HB2 H 1 3.199 0.020 . 2 . . . . 8 PHE HB2 . 15109 1 68 . 1 1 8 8 PHE HB3 H 1 3.051 0.020 . 2 . . . . 8 PHE HB3 . 15109 1 69 . 1 1 8 8 PHE HD1 H 1 7.362 0.400 . 1 . . . . 8 PHE HD1 . 15109 1 70 . 1 1 8 8 PHE HD2 H 1 7.362 0.400 . 1 . . . . 8 PHE HD2 . 15109 1 71 . 1 1 8 8 PHE HE1 H 1 7.060 0.400 . 1 . . . . 8 PHE HE1 . 15109 1 72 . 1 1 8 8 PHE HE2 H 1 7.060 0.400 . 1 . . . . 8 PHE HE2 . 15109 1 73 . 1 1 8 8 PHE CA C 13 57.276 0.400 . 1 . . . . 8 PHE CA . 15109 1 74 . 1 1 8 8 PHE CB C 13 40.780 0.400 . 1 . . . . 8 PHE CB . 15109 1 75 . 1 1 8 8 PHE CD1 C 13 132.100 0.400 . 1 . . . . 8 PHE CD1 . 15109 1 76 . 1 1 8 8 PHE CE1 C 13 131.800 0.400 . 1 . . . . 8 PHE CE1 . 15109 1 77 . 1 1 8 8 PHE N N 15 119.097 0.400 . 1 . . . . 8 PHE N . 15109 1 78 . 1 1 9 9 ALA HA H 1 4.121 0.020 . 1 . . . . 9 ALA HA . 15109 1 79 . 1 1 9 9 ALA HB1 H 1 1.423 0.400 . 1 . . . . 9 ALA HB . 15109 1 80 . 1 1 9 9 ALA HB2 H 1 1.423 0.400 . 1 . . . . 9 ALA HB . 15109 1 81 . 1 1 9 9 ALA HB3 H 1 1.423 0.400 . 1 . . . . 9 ALA HB . 15109 1 82 . 1 1 9 9 ALA C C 13 177.622 0.400 . 1 . . . . 9 ALA C . 15109 1 83 . 1 1 9 9 ALA CA C 13 53.820 0.400 . 1 . . . . 9 ALA CA . 15109 1 84 . 1 1 9 9 ALA CB C 13 19.119 0.400 . 1 . . . . 9 ALA CB . 15109 1 85 . 1 1 10 10 SER H H 1 7.830 0.020 . 1 . . . . 10 SER H . 15109 1 86 . 1 1 10 10 SER HA H 1 4.627 0.020 . 1 . . . . 10 SER HA . 15109 1 87 . 1 1 10 10 SER HB2 H 1 4.051 0.020 . 2 . . . . 10 SER HB2 . 15109 1 88 . 1 1 10 10 SER HB3 H 1 3.951 0.020 . 2 . . . . 10 SER HB3 . 15109 1 89 . 1 1 10 10 SER CA C 13 56.785 0.400 . 1 . . . . 10 SER CA . 15109 1 90 . 1 1 10 10 SER CB C 13 65.255 0.400 . 1 . . . . 10 SER CB . 15109 1 91 . 1 1 10 10 SER N N 15 109.373 0.400 . 1 . . . . 10 SER N . 15109 1 92 . 1 1 11 11 GLY HA2 H 1 3.985 0.020 . 2 . . . . 11 GLY HA2 . 15109 1 93 . 1 1 11 11 GLY HA3 H 1 3.833 0.020 . 2 . . . . 11 GLY HA3 . 15109 1 94 . 1 1 11 11 GLY CA C 13 46.600 0.400 . 1 . . . . 11 GLY CA . 15109 1 95 . 1 1 12 12 ASN HA H 1 4.593 0.020 . 1 . . . . 12 ASN HA . 15109 1 96 . 1 1 12 12 ASN HB2 H 1 2.763 0.400 . 1 . . . . 12 ASN HB2 . 15109 1 97 . 1 1 12 12 ASN HB3 H 1 2.763 0.400 . 1 . . . . 12 ASN HB3 . 15109 1 98 . 1 1 12 12 ASN HD21 H 1 6.961 0.400 . 1 . . . . 12 ASN HD21 . 15109 1 99 . 1 1 12 12 ASN HD22 H 1 6.961 0.400 . 1 . . . . 12 ASN HD22 . 15109 1 100 . 1 1 12 12 ASN C C 13 177.162 0.400 . 1 . . . . 12 ASN C . 15109 1 101 . 1 1 12 12 ASN CA C 13 55.542 0.400 . 1 . . . . 12 ASN CA . 15109 1 102 . 1 1 12 12 ASN CB C 13 38.596 0.400 . 1 . . . . 12 ASN CB . 15109 1 103 . 1 1 12 12 ASN ND2 N 15 112.500 0.400 . 1 . . . . 12 ASN ND2 . 15109 1 104 . 1 1 13 13 THR H H 1 7.868 0.020 . 1 . . . . 13 THR H . 15109 1 105 . 1 1 13 13 THR HA H 1 4.047 0.020 . 1 . . . . 13 THR HA . 15109 1 106 . 1 1 13 13 THR HB H 1 4.408 0.020 . 1 . . . . 13 THR HB . 15109 1 107 . 1 1 13 13 THR HG21 H 1 1.381 0.400 . 1 . . . . 13 THR HG2 . 15109 1 108 . 1 1 13 13 THR HG22 H 1 1.381 0.400 . 1 . . . . 13 THR HG2 . 15109 1 109 . 1 1 13 13 THR HG23 H 1 1.381 0.400 . 1 . . . . 13 THR HG2 . 15109 1 110 . 1 1 13 13 THR C C 13 177.381 0.400 . 1 . . . . 13 THR C . 15109 1 111 . 1 1 13 13 THR CA C 13 65.583 0.400 . 1 . . . . 13 THR CA . 15109 1 112 . 1 1 13 13 THR CB C 13 68.479 0.400 . 1 . . . . 13 THR CB . 15109 1 113 . 1 1 13 13 THR CG2 C 13 23.341 0.400 . 1 . . . . 13 THR CG2 . 15109 1 114 . 1 1 13 13 THR N N 15 113.676 0.400 . 1 . . . . 13 THR N . 15109 1 115 . 1 1 14 14 TYR H H 1 8.121 0.020 . 1 . . . . 14 TYR H . 15109 1 116 . 1 1 14 14 TYR HA H 1 3.459 0.020 . 1 . . . . 14 TYR HA . 15109 1 117 . 1 1 14 14 TYR HB2 H 1 2.863 0.400 . 1 . . . . 14 TYR HB2 . 15109 1 118 . 1 1 14 14 TYR HB3 H 1 2.863 0.400 . 1 . . . . 14 TYR HB3 . 15109 1 119 . 1 1 14 14 TYR HD1 H 1 6.617 0.400 . 1 . . . . 14 TYR HD1 . 15109 1 120 . 1 1 14 14 TYR HD2 H 1 6.617 0.400 . 1 . . . . 14 TYR HD2 . 15109 1 121 . 1 1 14 14 TYR HE1 H 1 6.849 0.400 . 1 . . . . 14 TYR HE1 . 15109 1 122 . 1 1 14 14 TYR HE2 H 1 6.849 0.400 . 1 . . . . 14 TYR HE2 . 15109 1 123 . 1 1 14 14 TYR C C 13 176.167 0.400 . 1 . . . . 14 TYR C . 15109 1 124 . 1 1 14 14 TYR CA C 13 61.266 0.400 . 1 . . . . 14 TYR CA . 15109 1 125 . 1 1 14 14 TYR CB C 13 38.020 0.400 . 1 . . . . 14 TYR CB . 15109 1 126 . 1 1 14 14 TYR CD1 C 13 132.800 0.400 . 1 . . . . 14 TYR CD1 . 15109 1 127 . 1 1 14 14 TYR CE1 C 13 118.500 0.400 . 1 . . . . 14 TYR CE1 . 15109 1 128 . 1 1 14 14 TYR N N 15 124.216 0.400 . 1 . . . . 14 TYR N . 15109 1 129 . 1 1 15 15 ALA H H 1 8.485 0.020 . 1 . . . . 15 ALA H . 15109 1 130 . 1 1 15 15 ALA HA H 1 3.539 0.020 . 1 . . . . 15 ALA HA . 15109 1 131 . 1 1 15 15 ALA HB1 H 1 1.683 0.400 . 1 . . . . 15 ALA HB . 15109 1 132 . 1 1 15 15 ALA HB2 H 1 1.683 0.400 . 1 . . . . 15 ALA HB . 15109 1 133 . 1 1 15 15 ALA HB3 H 1 1.683 0.400 . 1 . . . . 15 ALA HB . 15109 1 134 . 1 1 15 15 ALA C C 13 178.737 0.400 . 1 . . . . 15 ALA C . 15109 1 135 . 1 1 15 15 ALA CA C 13 55.350 0.400 . 1 . . . . 15 ALA CA . 15109 1 136 . 1 1 15 15 ALA CB C 13 19.707 0.400 . 1 . . . . 15 ALA CB . 15109 1 137 . 1 1 15 15 ALA N N 15 120.082 0.400 . 1 . . . . 15 ALA N . 15109 1 138 . 1 1 16 16 LEU H H 1 7.210 0.020 . 1 . . . . 16 LEU H . 15109 1 139 . 1 1 16 16 LEU HA H 1 3.560 0.020 . 1 . . . . 16 LEU HA . 15109 1 140 . 1 1 16 16 LEU HB2 H 1 1.710 0.400 . 1 . . . . 16 LEU HB2 . 15109 1 141 . 1 1 16 16 LEU HB3 H 1 1.710 0.400 . 1 . . . . 16 LEU HB3 . 15109 1 142 . 1 1 16 16 LEU HG H 1 1.410 0.020 . 1 . . . . 16 LEU HG . 15109 1 143 . 1 1 16 16 LEU HD11 H 1 0.698 0.400 . 2 . . . . 16 LEU HD1 . 15109 1 144 . 1 1 16 16 LEU HD12 H 1 0.698 0.400 . 2 . . . . 16 LEU HD1 . 15109 1 145 . 1 1 16 16 LEU HD13 H 1 0.698 0.400 . 2 . . . . 16 LEU HD1 . 15109 1 146 . 1 1 16 16 LEU HD21 H 1 0.802 0.400 . 2 . . . . 16 LEU HD2 . 15109 1 147 . 1 1 16 16 LEU HD22 H 1 0.802 0.400 . 2 . . . . 16 LEU HD2 . 15109 1 148 . 1 1 16 16 LEU HD23 H 1 0.802 0.400 . 2 . . . . 16 LEU HD2 . 15109 1 149 . 1 1 16 16 LEU C C 13 178.278 0.400 . 1 . . . . 16 LEU C . 15109 1 150 . 1 1 16 16 LEU CA C 13 57.490 0.400 . 1 . . . . 16 LEU CA . 15109 1 151 . 1 1 16 16 LEU CB C 13 41.300 0.400 . 1 . . . . 16 LEU CB . 15109 1 152 . 1 1 16 16 LEU CD1 C 13 22.680 0.400 . 1 . . . . 16 LEU CD1 . 15109 1 153 . 1 1 16 16 LEU CD2 C 13 25.210 0.400 . 1 . . . . 16 LEU CD2 . 15109 1 154 . 1 1 16 16 LEU N N 15 115.389 0.400 . 1 . . . . 16 LEU N . 15109 1 155 . 1 1 17 17 TYR H H 1 7.104 0.020 . 1 . . . . 17 TYR H . 15109 1 156 . 1 1 17 17 TYR HA H 1 4.127 0.020 . 1 . . . . 17 TYR HA . 15109 1 157 . 1 1 17 17 TYR HB2 H 1 3.061 0.020 . 2 . . . . 17 TYR HB2 . 15109 1 158 . 1 1 17 17 TYR HB3 H 1 2.811 0.020 . 2 . . . . 17 TYR HB3 . 15109 1 159 . 1 1 17 17 TYR HD1 H 1 6.851 0.400 . 1 . . . . 17 TYR HD1 . 15109 1 160 . 1 1 17 17 TYR HD2 H 1 6.851 0.400 . 1 . . . . 17 TYR HD2 . 15109 1 161 . 1 1 17 17 TYR HE1 H 1 6.849 0.400 . 1 . . . . 17 TYR HE1 . 15109 1 162 . 1 1 17 17 TYR HE2 H 1 6.849 0.400 . 1 . . . . 17 TYR HE2 . 15109 1 163 . 1 1 17 17 TYR C C 13 178.125 0.400 . 1 . . . . 17 TYR C . 15109 1 164 . 1 1 17 17 TYR CA C 13 60.665 0.400 . 1 . . . . 17 TYR CA . 15109 1 165 . 1 1 17 17 TYR CB C 13 37.474 0.400 . 1 . . . . 17 TYR CB . 15109 1 166 . 1 1 17 17 TYR CD1 C 13 133.400 0.400 . 1 . . . . 17 TYR CD1 . 15109 1 167 . 1 1 17 17 TYR CE1 C 13 118.500 0.400 . 1 . . . . 17 TYR CE1 . 15109 1 168 . 1 1 17 17 TYR N N 15 120.586 0.400 . 1 . . . . 17 TYR N . 15109 1 169 . 1 1 18 18 VAL H H 1 8.027 0.020 . 1 . . . . 18 VAL H . 15109 1 170 . 1 1 18 18 VAL HA H 1 2.802 0.020 . 1 . . . . 18 VAL HA . 15109 1 171 . 1 1 18 18 VAL HB H 1 1.756 0.020 . 1 . . . . 18 VAL HB . 15109 1 172 . 1 1 18 18 VAL HG11 H 1 0.428 0.400 . 2 . . . . 18 VAL HG1 . 15109 1 173 . 1 1 18 18 VAL HG12 H 1 0.428 0.400 . 2 . . . . 18 VAL HG1 . 15109 1 174 . 1 1 18 18 VAL HG13 H 1 0.428 0.400 . 2 . . . . 18 VAL HG1 . 15109 1 175 . 1 1 18 18 VAL HG21 H 1 0.994 0.400 . 2 . . . . 18 VAL HG2 . 15109 1 176 . 1 1 18 18 VAL HG22 H 1 0.994 0.400 . 2 . . . . 18 VAL HG2 . 15109 1 177 . 1 1 18 18 VAL HG23 H 1 0.994 0.400 . 2 . . . . 18 VAL HG2 . 15109 1 178 . 1 1 18 18 VAL C C 13 177.633 0.400 . 1 . . . . 18 VAL C . 15109 1 179 . 1 1 18 18 VAL CA C 13 67.004 0.400 . 1 . . . . 18 VAL CA . 15109 1 180 . 1 1 18 18 VAL CB C 13 31.708 0.400 . 1 . . . . 18 VAL CB . 15109 1 181 . 1 1 18 18 VAL CG1 C 13 22.152 0.400 . 1 . . . . 18 VAL CG1 . 15109 1 182 . 1 1 18 18 VAL CG2 C 13 22.152 0.400 . 1 . . . . 18 VAL CG2 . 15109 1 183 . 1 1 18 18 VAL N N 15 123.129 0.400 . 1 . . . . 18 VAL N . 15109 1 184 . 1 1 19 19 ARG H H 1 7.623 0.020 . 1 . . . . 19 ARG H . 15109 1 185 . 1 1 19 19 ARG HA H 1 2.515 0.020 . 1 . . . . 19 ARG HA . 15109 1 186 . 1 1 19 19 ARG HB2 H 1 1.030 0.020 . 2 . . . . 19 ARG HB2 . 15109 1 187 . 1 1 19 19 ARG HB3 H 1 -0.138 0.020 . 2 . . . . 19 ARG HB3 . 15109 1 188 . 1 1 19 19 ARG HG2 H 1 0.661 0.400 . 1 . . . . 19 ARG HG2 . 15109 1 189 . 1 1 19 19 ARG HG3 H 1 0.661 0.400 . 1 . . . . 19 ARG HG3 . 15109 1 190 . 1 1 19 19 ARG HD2 H 1 2.665 0.020 . 2 . . . . 19 ARG HD2 . 15109 1 191 . 1 1 19 19 ARG HD3 H 1 2.421 0.020 . 2 . . . . 19 ARG HD3 . 15109 1 192 . 1 1 19 19 ARG C C 13 178.147 0.400 . 1 . . . . 19 ARG C . 15109 1 193 . 1 1 19 19 ARG CA C 13 58.274 0.400 . 1 . . . . 19 ARG CA . 15109 1 194 . 1 1 19 19 ARG CB C 13 29.161 0.400 . 1 . . . . 19 ARG CB . 15109 1 195 . 1 1 19 19 ARG CG C 13 25.773 0.400 . 1 . . . . 19 ARG CG . 15109 1 196 . 1 1 19 19 ARG CD C 13 43.526 0.400 . 1 . . . . 19 ARG CD . 15109 1 197 . 1 1 19 19 ARG N N 15 119.148 0.400 . 1 . . . . 19 ARG N . 15109 1 198 . 1 1 20 20 ASP H H 1 7.541 0.020 . 1 . . . . 20 ASP H . 15109 1 199 . 1 1 20 20 ASP HA H 1 4.228 0.020 . 1 . . . . 20 ASP HA . 15109 1 200 . 1 1 20 20 ASP HB2 H 1 2.474 0.400 . 1 . . . . 20 ASP HB2 . 15109 1 201 . 1 1 20 20 ASP HB3 H 1 2.474 0.400 . 1 . . . . 20 ASP HB3 . 15109 1 202 . 1 1 20 20 ASP C C 13 176.922 0.400 . 1 . . . . 20 ASP C . 15109 1 203 . 1 1 20 20 ASP CA C 13 55.760 0.400 . 1 . . . . 20 ASP CA . 15109 1 204 . 1 1 20 20 ASP CB C 13 40.876 0.400 . 1 . . . . 20 ASP CB . 15109 1 205 . 1 1 20 20 ASP N N 15 116.272 0.400 . 1 . . . . 20 ASP N . 15109 1 206 . 1 1 21 21 THR H H 1 7.255 0.020 . 1 . . . . 21 THR H . 15109 1 207 . 1 1 21 21 THR HA H 1 3.831 0.020 . 1 . . . . 21 THR HA . 15109 1 208 . 1 1 21 21 THR HB H 1 3.189 0.020 . 1 . . . . 21 THR HB . 15109 1 209 . 1 1 21 21 THR HG21 H 1 0.944 0.400 . 1 . . . . 21 THR HG2 . 15109 1 210 . 1 1 21 21 THR HG22 H 1 0.944 0.400 . 1 . . . . 21 THR HG2 . 15109 1 211 . 1 1 21 21 THR HG23 H 1 0.944 0.400 . 1 . . . . 21 THR HG2 . 15109 1 212 . 1 1 21 21 THR C C 13 174.669 0.400 . 1 . . . . 21 THR C . 15109 1 213 . 1 1 21 21 THR CA C 13 64.490 0.400 . 1 . . . . 21 THR CA . 15109 1 214 . 1 1 21 21 THR CB C 13 69.408 0.400 . 1 . . . . 21 THR CB . 15109 1 215 . 1 1 21 21 THR CG2 C 13 21.565 0.400 . 1 . . . . 21 THR CG2 . 15109 1 216 . 1 1 21 21 THR N N 15 115.475 0.400 . 1 . . . . 21 THR N . 15109 1 217 . 1 1 22 22 LEU H H 1 7.961 0.020 . 1 . . . . 22 LEU H . 15109 1 218 . 1 1 22 22 LEU HA H 1 3.900 0.020 . 1 . . . . 22 LEU HA . 15109 1 219 . 1 1 22 22 LEU HB2 H 1 1.200 0.400 . 1 . . . . 22 LEU HB2 . 15109 1 220 . 1 1 22 22 LEU HB3 H 1 1.200 0.400 . 1 . . . . 22 LEU HB3 . 15109 1 221 . 1 1 22 22 LEU HD11 H 1 0.344 0.400 . 2 . . . . 22 LEU HD1 . 15109 1 222 . 1 1 22 22 LEU HD12 H 1 0.344 0.400 . 2 . . . . 22 LEU HD1 . 15109 1 223 . 1 1 22 22 LEU HD13 H 1 0.344 0.400 . 2 . . . . 22 LEU HD1 . 15109 1 224 . 1 1 22 22 LEU HD21 H 1 0.180 0.400 . 2 . . . . 22 LEU HD2 . 15109 1 225 . 1 1 22 22 LEU HD22 H 1 0.180 0.400 . 2 . . . . 22 LEU HD2 . 15109 1 226 . 1 1 22 22 LEU HD23 H 1 0.180 0.400 . 2 . . . . 22 LEU HD2 . 15109 1 227 . 1 1 22 22 LEU C C 13 176.112 0.400 . 1 . . . . 22 LEU C . 15109 1 228 . 1 1 22 22 LEU CD1 C 13 25.460 0.400 . 1 . . . . 22 LEU CD1 . 15109 1 229 . 1 1 22 22 LEU CD2 C 13 25.280 0.400 . 1 . . . . 22 LEU CD2 . 15109 1 230 . 1 1 22 22 LEU N N 15 122.308 0.400 . 1 . . . . 22 LEU N . 15109 1 231 . 1 1 23 23 GLN H H 1 7.803 0.020 . 1 . . . . 23 GLN H . 15109 1 232 . 1 1 23 23 GLN HA H 1 5.025 0.020 . 1 . . . . 23 GLN HA . 15109 1 233 . 1 1 23 23 GLN HB2 H 1 2.380 0.020 . 2 . . . . 23 GLN HB2 . 15109 1 234 . 1 1 23 23 GLN HB3 H 1 1.652 0.020 . 2 . . . . 23 GLN HB3 . 15109 1 235 . 1 1 23 23 GLN HG2 H 1 2.429 0.020 . 2 . . . . 23 GLN HG2 . 15109 1 236 . 1 1 23 23 GLN HG3 H 1 2.470 0.020 . 2 . . . . 23 GLN HG3 . 15109 1 237 . 1 1 23 23 GLN HE21 H 1 6.884 0.020 . 2 . . . . 23 GLN HE21 . 15109 1 238 . 1 1 23 23 GLN HE22 H 1 7.473 0.020 . 2 . . . . 23 GLN HE22 . 15109 1 239 . 1 1 23 23 GLN CA C 13 52.229 0.400 . 1 . . . . 23 GLN CA . 15109 1 240 . 1 1 23 23 GLN CB C 13 30.943 0.400 . 1 . . . . 23 GLN CB . 15109 1 241 . 1 1 23 23 GLN CG C 13 33.102 0.400 . 1 . . . . 23 GLN CG . 15109 1 242 . 1 1 23 23 GLN N N 15 123.751 0.400 . 1 . . . . 23 GLN N . 15109 1 243 . 1 1 23 23 GLN NE2 N 15 112.509 0.400 . 1 . . . . 23 GLN NE2 . 15109 1 244 . 1 1 24 24 PRO HA H 1 3.914 0.020 . 1 . . . . 24 PRO HA . 15109 1 245 . 1 1 24 24 PRO HB2 H 1 1.872 0.020 . 2 . . . . 24 PRO HB2 . 15109 1 246 . 1 1 24 24 PRO HB3 H 1 2.149 0.020 . 2 . . . . 24 PRO HB3 . 15109 1 247 . 1 1 24 24 PRO HG2 H 1 1.782 0.020 . 2 . . . . 24 PRO HG2 . 15109 1 248 . 1 1 24 24 PRO HG3 H 1 2.192 0.020 . 2 . . . . 24 PRO HG3 . 15109 1 249 . 1 1 24 24 PRO HD2 H 1 4.094 0.020 . 2 . . . . 24 PRO HD2 . 15109 1 250 . 1 1 24 24 PRO HD3 H 1 3.766 0.020 . 2 . . . . 24 PRO HD3 . 15109 1 251 . 1 1 24 24 PRO C C 13 176.484 0.400 . 1 . . . . 24 PRO C . 15109 1 252 . 1 1 24 24 PRO CA C 13 64.613 0.400 . 1 . . . . 24 PRO CA . 15109 1 253 . 1 1 24 24 PRO CB C 13 31.818 0.400 . 1 . . . . 24 PRO CB . 15109 1 254 . 1 1 24 24 PRO CG C 13 27.890 0.400 . 1 . . . . 24 PRO CG . 15109 1 255 . 1 1 24 24 PRO CD C 13 51.163 0.400 . 1 . . . . 24 PRO CD . 15109 1 256 . 1 1 25 25 GLY H H 1 8.712 0.020 . 1 . . . . 25 GLY H . 15109 1 257 . 1 1 25 25 GLY HA2 H 1 4.609 0.020 . 2 . . . . 25 GLY HA2 . 15109 1 258 . 1 1 25 25 GLY HA3 H 1 3.682 0.020 . 2 . . . . 25 GLY HA3 . 15109 1 259 . 1 1 25 25 GLY C C 13 174.920 0.400 . 1 . . . . 25 GLY C . 15109 1 260 . 1 1 25 25 GLY CA C 13 44.797 0.400 . 1 . . . . 25 GLY CA . 15109 1 261 . 1 1 25 25 GLY N N 15 111.922 0.400 . 1 . . . . 25 GLY N . 15109 1 262 . 1 1 26 26 MET H H 1 8.009 0.020 . 1 . . . . 26 MET H . 15109 1 263 . 1 1 26 26 MET HA H 1 3.694 0.020 . 1 . . . . 26 MET HA . 15109 1 264 . 1 1 26 26 MET HB2 H 1 1.389 0.400 . 1 . . . . 26 MET HB2 . 15109 1 265 . 1 1 26 26 MET HB3 H 1 1.389 0.400 . 1 . . . . 26 MET HB3 . 15109 1 266 . 1 1 26 26 MET HG2 H 1 2.319 0.020 . 2 . . . . 26 MET HG2 . 15109 1 267 . 1 1 26 26 MET HG3 H 1 1.561 0.020 . 2 . . . . 26 MET HG3 . 15109 1 268 . 1 1 26 26 MET HE1 H 1 1.975 0.400 . 1 . . . . 26 MET HE . 15109 1 269 . 1 1 26 26 MET HE2 H 1 1.975 0.400 . 1 . . . . 26 MET HE . 15109 1 270 . 1 1 26 26 MET HE3 H 1 1.975 0.400 . 1 . . . . 26 MET HE . 15109 1 271 . 1 1 26 26 MET C C 13 174.778 0.400 . 1 . . . . 26 MET C . 15109 1 272 . 1 1 26 26 MET CA C 13 57.823 0.400 . 1 . . . . 26 MET CA . 15109 1 273 . 1 1 26 26 MET CB C 13 33.730 0.400 . 1 . . . . 26 MET CB . 15109 1 274 . 1 1 26 26 MET CG C 13 33.897 0.400 . 1 . . . . 26 MET CG . 15109 1 275 . 1 1 26 26 MET CE C 13 17.820 0.400 . 1 . . . . 26 MET CE . 15109 1 276 . 1 1 26 26 MET N N 15 119.457 0.400 . 1 . . . . 26 MET N . 15109 1 277 . 1 1 27 27 ARG H H 1 8.414 0.020 . 1 . . . . 27 ARG H . 15109 1 278 . 1 1 27 27 ARG HA H 1 5.134 0.020 . 1 . . . . 27 ARG HA . 15109 1 279 . 1 1 27 27 ARG HB2 H 1 1.861 0.400 . 1 . . . . 27 ARG HB2 . 15109 1 280 . 1 1 27 27 ARG HB3 H 1 1.861 0.400 . 1 . . . . 27 ARG HB3 . 15109 1 281 . 1 1 27 27 ARG HG2 H 1 1.890 0.020 . 2 . . . . 27 ARG HG2 . 15109 1 282 . 1 1 27 27 ARG HG3 H 1 1.601 0.020 . 2 . . . . 27 ARG HG3 . 15109 1 283 . 1 1 27 27 ARG HD2 H 1 3.137 0.020 . 2 . . . . 27 ARG HD2 . 15109 1 284 . 1 1 27 27 ARG HD3 H 1 3.270 0.020 . 2 . . . . 27 ARG HD3 . 15109 1 285 . 1 1 27 27 ARG C C 13 176.419 0.400 . 1 . . . . 27 ARG C . 15109 1 286 . 1 1 27 27 ARG CA C 13 55.350 0.400 . 1 . . . . 27 ARG CA . 15109 1 287 . 1 1 27 27 ARG CB C 13 31.066 0.400 . 1 . . . . 27 ARG CB . 15109 1 288 . 1 1 27 27 ARG CG C 13 28.532 0.400 . 1 . . . . 27 ARG CG . 15109 1 289 . 1 1 27 27 ARG CD C 13 42.843 0.400 . 1 . . . . 27 ARG CD . 15109 1 290 . 1 1 27 27 ARG N N 15 120.708 0.400 . 1 . . . . 27 ARG N . 15109 1 291 . 1 1 28 28 VAL H H 1 8.854 0.020 . 1 . . . . 28 VAL H . 15109 1 292 . 1 1 28 28 VAL HA H 1 5.292 0.020 . 1 . . . . 28 VAL HA . 15109 1 293 . 1 1 28 28 VAL HB H 1 2.011 0.020 . 1 . . . . 28 VAL HB . 15109 1 294 . 1 1 28 28 VAL HG11 H 1 0.302 0.400 . 2 . . . . 28 VAL HG1 . 15109 1 295 . 1 1 28 28 VAL HG12 H 1 0.302 0.400 . 2 . . . . 28 VAL HG1 . 15109 1 296 . 1 1 28 28 VAL HG13 H 1 0.302 0.400 . 2 . . . . 28 VAL HG1 . 15109 1 297 . 1 1 28 28 VAL HG21 H 1 0.717 0.400 . 2 . . . . 28 VAL HG2 . 15109 1 298 . 1 1 28 28 VAL HG22 H 1 0.717 0.400 . 2 . . . . 28 VAL HG2 . 15109 1 299 . 1 1 28 28 VAL HG23 H 1 0.717 0.400 . 2 . . . . 28 VAL HG2 . 15109 1 300 . 1 1 28 28 VAL C C 13 172.973 0.400 . 1 . . . . 28 VAL C . 15109 1 301 . 1 1 28 28 VAL CA C 13 58.260 0.400 . 1 . . . . 28 VAL CA . 15109 1 302 . 1 1 28 28 VAL CB C 13 36.599 0.400 . 1 . . . . 28 VAL CB . 15109 1 303 . 1 1 28 28 VAL CG1 C 13 19.119 0.400 . 1 . . . . 28 VAL CG1 . 15109 1 304 . 1 1 28 28 VAL CG2 C 13 23.928 0.400 . 1 . . . . 28 VAL CG2 . 15109 1 305 . 1 1 28 28 VAL N N 15 114.195 0.400 . 1 . . . . 28 VAL N . 15109 1 306 . 1 1 29 29 ARG H H 1 9.138 0.020 . 1 . . . . 29 ARG H . 15109 1 307 . 1 1 29 29 ARG HA H 1 5.411 0.020 . 1 . . . . 29 ARG HA . 15109 1 308 . 1 1 29 29 ARG HB2 H 1 1.808 0.020 . 2 . . . . 29 ARG HB2 . 15109 1 309 . 1 1 29 29 ARG HB3 H 1 1.738 0.020 . 2 . . . . 29 ARG HB3 . 15109 1 310 . 1 1 29 29 ARG HG2 H 1 1.566 0.400 . 1 . . . . 29 ARG HG2 . 15109 1 311 . 1 1 29 29 ARG HG3 H 1 1.566 0.400 . 1 . . . . 29 ARG HG3 . 15109 1 312 . 1 1 29 29 ARG HD2 H 1 3.333 0.400 . 1 . . . . 29 ARG HD2 . 15109 1 313 . 1 1 29 29 ARG HD3 H 1 3.333 0.400 . 1 . . . . 29 ARG HD3 . 15109 1 314 . 1 1 29 29 ARG C C 13 174.909 0.400 . 1 . . . . 29 ARG C . 15109 1 315 . 1 1 29 29 ARG CA C 13 53.642 0.400 . 1 . . . . 29 ARG CA . 15109 1 316 . 1 1 29 29 ARG CB C 13 35.015 0.400 . 1 . . . . 29 ARG CB . 15109 1 317 . 1 1 29 29 ARG CG C 13 26.948 0.400 . 1 . . . . 29 ARG CG . 15109 1 318 . 1 1 29 29 ARG CD C 13 43.581 0.400 . 1 . . . . 29 ARG CD . 15109 1 319 . 1 1 29 29 ARG N N 15 120.157 0.400 . 1 . . . . 29 ARG N . 15109 1 320 . 1 1 30 30 MET H H 1 9.389 0.020 . 1 . . . . 30 MET H . 15109 1 321 . 1 1 30 30 MET HA H 1 4.748 0.020 . 1 . . . . 30 MET HA . 15109 1 322 . 1 1 30 30 MET HB2 H 1 2.028 0.400 . 1 . . . . 30 MET HB2 . 15109 1 323 . 1 1 30 30 MET HB3 H 1 2.028 0.400 . 1 . . . . 30 MET HB3 . 15109 1 324 . 1 1 30 30 MET HG2 H 1 2.843 0.020 . 2 . . . . 30 MET HG2 . 15109 1 325 . 1 1 30 30 MET HG3 H 1 2.359 0.020 . 2 . . . . 30 MET HG3 . 15109 1 326 . 1 1 30 30 MET HE1 H 1 2.167 0.400 . 1 . . . . 30 MET HE . 15109 1 327 . 1 1 30 30 MET HE2 H 1 2.167 0.400 . 1 . . . . 30 MET HE . 15109 1 328 . 1 1 30 30 MET HE3 H 1 2.167 0.400 . 1 . . . . 30 MET HE . 15109 1 329 . 1 1 30 30 MET C C 13 178.169 0.400 . 1 . . . . 30 MET C . 15109 1 330 . 1 1 30 30 MET CA C 13 55.063 0.400 . 1 . . . . 30 MET CA . 15109 1 331 . 1 1 30 30 MET CB C 13 33.840 0.400 . 1 . . . . 30 MET CB . 15109 1 332 . 1 1 30 30 MET CG C 13 33.812 0.400 . 1 . . . . 30 MET CG . 15109 1 333 . 1 1 30 30 MET CE C 13 20.290 0.400 . 1 . . . . 30 MET CE . 15109 1 334 . 1 1 30 30 MET N N 15 126.374 0.400 . 1 . . . . 30 MET N . 15109 1 335 . 1 1 31 31 LEU H H 1 9.902 0.020 . 1 . . . . 31 LEU H . 15109 1 336 . 1 1 31 31 LEU HA H 1 4.351 0.020 . 1 . . . . 31 LEU HA . 15109 1 337 . 1 1 31 31 LEU HB2 H 1 1.650 0.400 . 1 . . . . 31 LEU HB2 . 15109 1 338 . 1 1 31 31 LEU HB3 H 1 1.650 0.400 . 1 . . . . 31 LEU HB3 . 15109 1 339 . 1 1 31 31 LEU HG H 1 1.380 0.020 . 1 . . . . 31 LEU HG . 15109 1 340 . 1 1 31 31 LEU HD11 H 1 0.814 0.400 . 2 . . . . 31 LEU HD1 . 15109 1 341 . 1 1 31 31 LEU HD12 H 1 0.814 0.400 . 2 . . . . 31 LEU HD1 . 15109 1 342 . 1 1 31 31 LEU HD13 H 1 0.814 0.400 . 2 . . . . 31 LEU HD1 . 15109 1 343 . 1 1 31 31 LEU HD21 H 1 0.737 0.400 . 2 . . . . 31 LEU HD2 . 15109 1 344 . 1 1 31 31 LEU HD22 H 1 0.737 0.400 . 2 . . . . 31 LEU HD2 . 15109 1 345 . 1 1 31 31 LEU HD23 H 1 0.737 0.400 . 2 . . . . 31 LEU HD2 . 15109 1 346 . 1 1 31 31 LEU C C 13 175.850 0.400 . 1 . . . . 31 LEU C . 15109 1 347 . 1 1 31 31 LEU CD1 C 13 22.810 0.400 . 1 . . . . 31 LEU CD1 . 15109 1 348 . 1 1 31 31 LEU CD2 C 13 25.310 0.400 . 1 . . . . 31 LEU CD2 . 15109 1 349 . 1 1 31 31 LEU N N 15 128.243 0.400 . 1 . . . . 31 LEU N . 15109 1 350 . 1 1 32 32 ASP H H 1 6.927 0.020 . 1 . . . . 32 ASP H . 15109 1 351 . 1 1 32 32 ASP HA H 1 5.009 0.020 . 1 . . . . 32 ASP HA . 15109 1 352 . 1 1 32 32 ASP HB2 H 1 2.167 0.020 . 2 . . . . 32 ASP HB2 . 15109 1 353 . 1 1 32 32 ASP HB3 H 1 2.726 0.020 . 2 . . . . 32 ASP HB3 . 15109 1 354 . 1 1 32 32 ASP C C 13 173.050 0.400 . 1 . . . . 32 ASP C . 15109 1 355 . 1 1 32 32 ASP CA C 13 52.201 0.400 . 1 . . . . 32 ASP CA . 15109 1 356 . 1 1 32 32 ASP CB C 13 45.616 0.400 . 1 . . . . 32 ASP CB . 15109 1 357 . 1 1 32 32 ASP N N 15 115.446 0.400 . 1 . . . . 32 ASP N . 15109 1 358 . 1 1 33 33 ASP H H 1 8.334 0.020 . 1 . . . . 33 ASP H . 15109 1 359 . 1 1 33 33 ASP HA H 1 4.584 0.020 . 1 . . . . 33 ASP HA . 15109 1 360 . 1 1 33 33 ASP HB2 H 1 2.669 0.020 . 2 . . . . 33 ASP HB2 . 15109 1 361 . 1 1 33 33 ASP HB3 H 1 2.460 0.020 . 2 . . . . 33 ASP HB3 . 15109 1 362 . 1 1 33 33 ASP C C 13 176.573 0.400 . 1 . . . . 33 ASP C . 15109 1 363 . 1 1 33 33 ASP CA C 13 54.708 0.400 . 1 . . . . 33 ASP CA . 15109 1 364 . 1 1 33 33 ASP CB C 13 41.190 0.400 . 1 . . . . 33 ASP CB . 15109 1 365 . 1 1 33 33 ASP N N 15 117.829 0.400 . 1 . . . . 33 ASP N . 15109 1 366 . 1 1 34 34 TYR H H 1 8.681 0.020 . 1 . . . . 34 TYR H . 15109 1 367 . 1 1 34 34 TYR HA H 1 4.441 0.020 . 1 . . . . 34 TYR HA . 15109 1 368 . 1 1 34 34 TYR HB2 H 1 2.558 0.020 . 2 . . . . 34 TYR HB2 . 15109 1 369 . 1 1 34 34 TYR HB3 H 1 2.856 0.020 . 2 . . . . 34 TYR HB3 . 15109 1 370 . 1 1 34 34 TYR HD1 H 1 7.190 0.400 . 1 . . . . 34 TYR HD1 . 15109 1 371 . 1 1 34 34 TYR HD2 H 1 7.190 0.400 . 1 . . . . 34 TYR HD2 . 15109 1 372 . 1 1 34 34 TYR HE1 H 1 7.147 0.400 . 1 . . . . 34 TYR HE1 . 15109 1 373 . 1 1 34 34 TYR HE2 H 1 7.147 0.400 . 1 . . . . 34 TYR HE2 . 15109 1 374 . 1 1 34 34 TYR C C 13 172.204 0.400 . 1 . . . . 34 TYR C . 15109 1 375 . 1 1 34 34 TYR CA C 13 58.096 0.400 . 1 . . . . 34 TYR CA . 15109 1 376 . 1 1 34 34 TYR CB C 13 40.725 0.400 . 1 . . . . 34 TYR CB . 15109 1 377 . 1 1 34 34 TYR CD1 C 13 133.300 0.400 . 1 . . . . 34 TYR CD1 . 15109 1 378 . 1 1 34 34 TYR CE1 C 13 118.900 0.400 . 1 . . . . 34 TYR CE1 . 15109 1 379 . 1 1 34 34 TYR N N 15 124.342 0.400 . 1 . . . . 34 TYR N . 15109 1 380 . 1 1 35 35 GLU H H 1 8.745 0.020 . 1 . . . . 35 GLU H . 15109 1 381 . 1 1 35 35 GLU HA H 1 3.297 0.020 . 1 . . . . 35 GLU HA . 15109 1 382 . 1 1 35 35 GLU HB2 H 1 1.720 0.400 . 1 . . . . 35 GLU HB2 . 15109 1 383 . 1 1 35 35 GLU HB3 H 1 1.720 0.400 . 1 . . . . 35 GLU HB3 . 15109 1 384 . 1 1 35 35 GLU HG2 H 1 1.631 0.020 . 2 . . . . 35 GLU HG2 . 15109 1 385 . 1 1 35 35 GLU HG3 H 1 1.359 0.020 . 2 . . . . 35 GLU HG3 . 15109 1 386 . 1 1 35 35 GLU C C 13 176.265 0.400 . 1 . . . . 35 GLU C . 15109 1 387 . 1 1 35 35 GLU CA C 13 57.768 0.400 . 1 . . . . 35 GLU CA . 15109 1 388 . 1 1 35 35 GLU CB C 13 26.196 0.400 . 1 . . . . 35 GLU CB . 15109 1 389 . 1 1 35 35 GLU CG C 13 35.629 0.400 . 1 . . . . 35 GLU CG . 15109 1 390 . 1 1 35 35 GLU N N 15 123.443 0.400 . 1 . . . . 35 GLU N . 15109 1 391 . 1 1 36 36 GLU H H 1 6.089 0.020 . 1 . . . . 36 GLU H . 15109 1 392 . 1 1 36 36 GLU HA H 1 3.915 0.020 . 1 . . . . 36 GLU HA . 15109 1 393 . 1 1 36 36 GLU HB2 H 1 1.770 0.020 . 2 . . . . 36 GLU HB2 . 15109 1 394 . 1 1 36 36 GLU HB3 H 1 1.107 0.020 . 2 . . . . 36 GLU HB3 . 15109 1 395 . 1 1 36 36 GLU HG2 H 1 1.661 0.020 . 2 . . . . 36 GLU HG2 . 15109 1 396 . 1 1 36 36 GLU HG3 H 1 1.821 0.020 . 2 . . . . 36 GLU HG3 . 15109 1 397 . 1 1 36 36 GLU C C 13 174.209 0.400 . 1 . . . . 36 GLU C . 15109 1 398 . 1 1 36 36 GLU CA C 13 56.921 0.400 . 1 . . . . 36 GLU CA . 15109 1 399 . 1 1 36 36 GLU CB C 13 30.288 0.400 . 1 . . . . 36 GLU CB . 15109 1 400 . 1 1 36 36 GLU CG C 13 35.957 0.400 . 1 . . . . 36 GLU CG . 15109 1 401 . 1 1 36 36 GLU N N 15 117.852 0.400 . 1 . . . . 36 GLU N . 15109 1 402 . 1 1 37 37 ILE H H 1 8.165 0.020 . 1 . . . . 37 ILE H . 15109 1 403 . 1 1 37 37 ILE HA H 1 3.600 0.020 . 1 . . . . 37 ILE HA . 15109 1 404 . 1 1 37 37 ILE HB H 1 1.689 0.020 . 1 . . . . 37 ILE HB . 15109 1 405 . 1 1 37 37 ILE HG12 H 1 0.706 0.020 . 2 . . . . 37 ILE HG12 . 15109 1 406 . 1 1 37 37 ILE HG13 H 1 0.216 0.020 . 2 . . . . 37 ILE HG13 . 15109 1 407 . 1 1 37 37 ILE HG21 H 1 -0.202 0.400 . 1 . . . . 37 ILE HG2 . 15109 1 408 . 1 1 37 37 ILE HG22 H 1 -0.202 0.400 . 1 . . . . 37 ILE HG2 . 15109 1 409 . 1 1 37 37 ILE HG23 H 1 -0.202 0.400 . 1 . . . . 37 ILE HG2 . 15109 1 410 . 1 1 37 37 ILE HD11 H 1 -0.286 0.400 . 1 . . . . 37 ILE HD1 . 15109 1 411 . 1 1 37 37 ILE HD12 H 1 -0.286 0.400 . 1 . . . . 37 ILE HD1 . 15109 1 412 . 1 1 37 37 ILE HD13 H 1 -0.286 0.400 . 1 . . . . 37 ILE HD1 . 15109 1 413 . 1 1 37 37 ILE C C 13 175.237 0.400 . 1 . . . . 37 ILE C . 15109 1 414 . 1 1 37 37 ILE CA C 13 58.397 0.400 . 1 . . . . 37 ILE CA . 15109 1 415 . 1 1 37 37 ILE CB C 13 35.944 0.400 . 1 . . . . 37 ILE CB . 15109 1 416 . 1 1 37 37 ILE CG1 C 13 26.592 0.400 . 1 . . . . 37 ILE CG1 . 15109 1 417 . 1 1 37 37 ILE CG2 C 13 16.906 0.400 . 1 . . . . 37 ILE CG2 . 15109 1 418 . 1 1 37 37 ILE CD1 C 13 9.105 0.400 . 1 . . . . 37 ILE CD1 . 15109 1 419 . 1 1 37 37 ILE N N 15 121.502 0.400 . 1 . . . . 37 ILE N . 15109 1 420 . 1 1 38 38 SER H H 1 8.089 0.020 . 1 . . . . 38 SER H . 15109 1 421 . 1 1 38 38 SER HA H 1 4.730 0.020 . 1 . . . . 38 SER HA . 15109 1 422 . 1 1 38 38 SER HB2 H 1 3.676 0.020 . 2 . . . . 38 SER HB2 . 15109 1 423 . 1 1 38 38 SER HB3 H 1 3.532 0.020 . 2 . . . . 38 SER HB3 . 15109 1 424 . 1 1 38 38 SER C C 13 173.312 0.400 . 1 . . . . 38 SER C . 15109 1 425 . 1 1 38 38 SER CA C 13 57.440 0.400 . 1 . . . . 38 SER CA . 15109 1 426 . 1 1 38 38 SER CB C 13 64.763 0.400 . 1 . . . . 38 SER CB . 15109 1 427 . 1 1 38 38 SER N N 15 124.349 0.400 . 1 . . . . 38 SER N . 15109 1 428 . 1 1 39 39 ALA H H 1 9.021 0.020 . 1 . . . . 39 ALA H . 15109 1 429 . 1 1 39 39 ALA HA H 1 3.377 0.020 . 1 . . . . 39 ALA HA . 15109 1 430 . 1 1 39 39 ALA HB1 H 1 1.055 0.400 . 1 . . . . 39 ALA HB . 15109 1 431 . 1 1 39 39 ALA HB2 H 1 1.055 0.400 . 1 . . . . 39 ALA HB . 15109 1 432 . 1 1 39 39 ALA HB3 H 1 1.055 0.400 . 1 . . . . 39 ALA HB . 15109 1 433 . 1 1 39 39 ALA C C 13 178.847 0.400 . 1 . . . . 39 ALA C . 15109 1 434 . 1 1 39 39 ALA CA C 13 53.711 0.400 . 1 . . . . 39 ALA CA . 15109 1 435 . 1 1 39 39 ALA CB C 13 17.589 0.400 . 1 . . . . 39 ALA CB . 15109 1 436 . 1 1 39 39 ALA N N 15 126.302 0.400 . 1 . . . . 39 ALA N . 15109 1 437 . 1 1 40 40 GLY H H 1 9.242 0.020 . 1 . . . . 40 GLY H . 15109 1 438 . 1 1 40 40 GLY HA2 H 1 3.401 0.020 . 2 . . . . 40 GLY HA2 . 15109 1 439 . 1 1 40 40 GLY HA3 H 1 4.498 0.020 . 2 . . . . 40 GLY HA3 . 15109 1 440 . 1 1 40 40 GLY C C 13 174.384 0.400 . 1 . . . . 40 GLY C . 15109 1 441 . 1 1 40 40 GLY CA C 13 44.988 0.400 . 1 . . . . 40 GLY CA . 15109 1 442 . 1 1 40 40 GLY N N 15 113.130 0.400 . 1 . . . . 40 GLY N . 15109 1 443 . 1 1 41 41 ASP H H 1 8.205 0.020 . 1 . . . . 41 ASP H . 15109 1 444 . 1 1 41 41 ASP HA H 1 4.560 0.020 . 1 . . . . 41 ASP HA . 15109 1 445 . 1 1 41 41 ASP HB2 H 1 2.638 0.400 . 1 . . . . 41 ASP HB2 . 15109 1 446 . 1 1 41 41 ASP HB3 H 1 2.638 0.400 . 1 . . . . 41 ASP HB3 . 15109 1 447 . 1 1 41 41 ASP C C 13 175.215 0.400 . 1 . . . . 41 ASP C . 15109 1 448 . 1 1 41 41 ASP CA C 13 55.692 0.400 . 1 . . . . 41 ASP CA . 15109 1 449 . 1 1 41 41 ASP CB C 13 41.081 0.400 . 1 . . . . 41 ASP CB . 15109 1 450 . 1 1 41 41 ASP N N 15 123.594 0.400 . 1 . . . . 41 ASP N . 15109 1 451 . 1 1 42 42 GLU H H 1 8.861 0.020 . 1 . . . . 42 GLU H . 15109 1 452 . 1 1 42 42 GLU HA H 1 5.745 0.020 . 1 . . . . 42 GLU HA . 15109 1 453 . 1 1 42 42 GLU HB2 H 1 2.082 0.020 . 2 . . . . 42 GLU HB2 . 15109 1 454 . 1 1 42 42 GLU HB3 H 1 1.920 0.020 . 2 . . . . 42 GLU HB3 . 15109 1 455 . 1 1 42 42 GLU HG2 H 1 2.214 0.020 . 2 . . . . 42 GLU HG2 . 15109 1 456 . 1 1 42 42 GLU HG3 H 1 2.621 0.020 . 2 . . . . 42 GLU HG3 . 15109 1 457 . 1 1 42 42 GLU C C 13 176.440 0.400 . 1 . . . . 42 GLU C . 15109 1 458 . 1 1 42 42 GLU CA C 13 54.558 0.400 . 1 . . . . 42 GLU CA . 15109 1 459 . 1 1 42 42 GLU CB C 13 33.539 0.400 . 1 . . . . 42 GLU CB . 15109 1 460 . 1 1 42 42 GLU CG C 13 37.214 0.400 . 1 . . . . 42 GLU CG . 15109 1 461 . 1 1 42 42 GLU N N 15 118.969 0.400 . 1 . . . . 42 GLU N . 15109 1 462 . 1 1 43 43 GLY H H 1 8.515 0.020 . 1 . . . . 43 GLY H . 15109 1 463 . 1 1 43 43 GLY HA2 H 1 4.388 0.020 . 2 . . . . 43 GLY HA2 . 15109 1 464 . 1 1 43 43 GLY HA3 H 1 3.448 0.020 . 2 . . . . 43 GLY HA3 . 15109 1 465 . 1 1 43 43 GLY C C 13 170.687 0.400 . 1 . . . . 43 GLY C . 15109 1 466 . 1 1 43 43 GLY CA C 13 46.135 0.400 . 1 . . . . 43 GLY CA . 15109 1 467 . 1 1 43 43 GLY N N 15 107.295 0.400 . 1 . . . . 43 GLY N . 15109 1 468 . 1 1 44 44 GLU H H 1 8.612 0.020 . 1 . . . . 44 GLU H . 15109 1 469 . 1 1 44 44 GLU HA H 1 4.751 0.020 . 1 . . . . 44 GLU HA . 15109 1 470 . 1 1 44 44 GLU HB2 H 1 1.863 0.400 . 1 . . . . 44 GLU HB2 . 15109 1 471 . 1 1 44 44 GLU HB3 H 1 1.863 0.400 . 1 . . . . 44 GLU HB3 . 15109 1 472 . 1 1 44 44 GLU HG2 H 1 1.858 0.020 . 2 . . . . 44 GLU HG2 . 15109 1 473 . 1 1 44 44 GLU HG3 H 1 2.036 0.020 . 2 . . . . 44 GLU HG3 . 15109 1 474 . 1 1 44 44 GLU C C 13 175.828 0.400 . 1 . . . . 44 GLU C . 15109 1 475 . 1 1 44 44 GLU CA C 13 53.998 0.400 . 1 . . . . 44 GLU CA . 15109 1 476 . 1 1 44 44 GLU CB C 13 34.031 0.400 . 1 . . . . 44 GLU CB . 15109 1 477 . 1 1 44 44 GLU CG C 13 36.845 0.400 . 1 . . . . 44 GLU CG . 15109 1 478 . 1 1 44 44 GLU N N 15 118.972 0.400 . 1 . . . . 44 GLU N . 15109 1 479 . 1 1 45 45 PHE H H 1 9.003 0.020 . 1 . . . . 45 PHE H . 15109 1 480 . 1 1 45 45 PHE HA H 1 4.209 0.020 . 1 . . . . 45 PHE HA . 15109 1 481 . 1 1 45 45 PHE HB2 H 1 2.850 0.020 . 2 . . . . 45 PHE HB2 . 15109 1 482 . 1 1 45 45 PHE HB3 H 1 2.729 0.020 . 2 . . . . 45 PHE HB3 . 15109 1 483 . 1 1 45 45 PHE HD1 H 1 6.802 0.400 . 1 . . . . 45 PHE HD1 . 15109 1 484 . 1 1 45 45 PHE HD2 H 1 6.802 0.400 . 1 . . . . 45 PHE HD2 . 15109 1 485 . 1 1 45 45 PHE C C 13 174.034 0.400 . 1 . . . . 45 PHE C . 15109 1 486 . 1 1 45 45 PHE CA C 13 58.014 0.400 . 1 . . . . 45 PHE CA . 15109 1 487 . 1 1 45 45 PHE CB C 13 39.414 0.400 . 1 . . . . 45 PHE CB . 15109 1 488 . 1 1 45 45 PHE CD1 C 13 131.701 0.400 . 1 . . . . 45 PHE CD1 . 15109 1 489 . 1 1 45 45 PHE N N 15 126.727 0.400 . 1 . . . . 45 PHE N . 15109 1 490 . 1 1 46 46 ARG H H 1 8.067 0.020 . 1 . . . . 46 ARG H . 15109 1 491 . 1 1 46 46 ARG HA H 1 4.131 0.020 . 1 . . . . 46 ARG HA . 15109 1 492 . 1 1 46 46 ARG HB2 H 1 1.335 0.400 . 1 . . . . 46 ARG HB2 . 15109 1 493 . 1 1 46 46 ARG HB3 H 1 1.335 0.400 . 1 . . . . 46 ARG HB3 . 15109 1 494 . 1 1 46 46 ARG HG2 H 1 1.299 0.400 . 1 . . . . 46 ARG HG2 . 15109 1 495 . 1 1 46 46 ARG HG3 H 1 1.299 0.400 . 1 . . . . 46 ARG HG3 . 15109 1 496 . 1 1 46 46 ARG HD2 H 1 2.930 0.020 . 2 . . . . 46 ARG HD2 . 15109 1 497 . 1 1 46 46 ARG HD3 H 1 2.821 0.020 . 2 . . . . 46 ARG HD3 . 15109 1 498 . 1 1 46 46 ARG C C 13 174.165 0.400 . 1 . . . . 46 ARG C . 15109 1 499 . 1 1 46 46 ARG CA C 13 55.623 0.400 . 1 . . . . 46 ARG CA . 15109 1 500 . 1 1 46 46 ARG CB C 13 32.173 0.400 . 1 . . . . 46 ARG CB . 15109 1 501 . 1 1 46 46 ARG CG C 13 25.964 0.400 . 1 . . . . 46 ARG CG . 15109 1 502 . 1 1 46 46 ARG CD C 13 42.269 0.400 . 1 . . . . 46 ARG CD . 15109 1 503 . 1 1 46 46 ARG N N 15 128.414 0.400 . 1 . . . . 46 ARG N . 15109 1 504 . 1 1 47 47 GLN H H 1 6.668 0.020 . 1 . . . . 47 GLN H . 15109 1 505 . 1 1 47 47 GLN HA H 1 4.242 0.020 . 1 . . . . 47 GLN HA . 15109 1 506 . 1 1 47 47 GLN HB2 H 1 1.998 0.400 . 1 . . . . 47 GLN HB2 . 15109 1 507 . 1 1 47 47 GLN HB3 H 1 1.998 0.400 . 1 . . . . 47 GLN HB3 . 15109 1 508 . 1 1 47 47 GLN HG2 H 1 1.578 0.400 . 1 . . . . 47 GLN HG2 . 15109 1 509 . 1 1 47 47 GLN HG3 H 1 1.578 0.400 . 1 . . . . 47 GLN HG3 . 15109 1 510 . 1 1 47 47 GLN HE21 H 1 6.943 0.020 . 2 . . . . 47 GLN HE21 . 15109 1 511 . 1 1 47 47 GLN HE22 H 1 7.181 0.020 . 2 . . . . 47 GLN HE22 . 15109 1 512 . 1 1 47 47 GLN C C 13 172.065 0.400 . 1 . . . . 47 GLN C . 15109 1 513 . 1 1 47 47 GLN CA C 13 54.749 0.400 . 1 . . . . 47 GLN CA . 15109 1 514 . 1 1 47 47 GLN CB C 13 29.891 0.400 . 1 . . . . 47 GLN CB . 15109 1 515 . 1 1 47 47 GLN CG C 13 31.777 0.400 . 1 . . . . 47 GLN CG . 15109 1 516 . 1 1 47 47 GLN N N 15 110.959 0.400 . 1 . . . . 47 GLN N . 15109 1 517 . 1 1 47 47 GLN NE2 N 15 111.802 0.400 . 1 . . . . 47 GLN NE2 . 15109 1 518 . 1 1 48 48 SER H H 1 8.938 0.020 . 1 . . . . 48 SER H . 15109 1 519 . 1 1 48 48 SER HA H 1 5.917 0.020 . 1 . . . . 48 SER HA . 15109 1 520 . 1 1 48 48 SER HB2 H 1 3.908 0.020 . 2 . . . . 48 SER HB2 . 15109 1 521 . 1 1 48 48 SER HB3 H 1 4.265 0.020 . 2 . . . . 48 SER HB3 . 15109 1 522 . 1 1 48 48 SER C C 13 173.608 0.400 . 1 . . . . 48 SER C . 15109 1 523 . 1 1 48 48 SER CA C 13 56.621 0.400 . 1 . . . . 48 SER CA . 15109 1 524 . 1 1 48 48 SER CB C 13 68.725 0.400 . 1 . . . . 48 SER CB . 15109 1 525 . 1 1 48 48 SER N N 15 114.905 0.400 . 1 . . . . 48 SER N . 15109 1 526 . 1 1 49 49 ASN H H 1 9.273 0.020 . 1 . . . . 49 ASN H . 15109 1 527 . 1 1 49 49 ASN HA H 1 4.921 0.020 . 1 . . . . 49 ASN HA . 15109 1 528 . 1 1 49 49 ASN HB2 H 1 3.210 0.020 . 2 . . . . 49 ASN HB2 . 15109 1 529 . 1 1 49 49 ASN HB3 H 1 3.001 0.020 . 2 . . . . 49 ASN HB3 . 15109 1 530 . 1 1 49 49 ASN HD21 H 1 6.026 0.020 . 2 . . . . 49 ASN HD21 . 15109 1 531 . 1 1 49 49 ASN HD22 H 1 7.497 0.020 . 2 . . . . 49 ASN HD22 . 15109 1 532 . 1 1 49 49 ASN CA C 13 52.283 0.400 . 1 . . . . 49 ASN CA . 15109 1 533 . 1 1 49 49 ASN CB C 13 39.304 0.400 . 1 . . . . 49 ASN CB . 15109 1 534 . 1 1 49 49 ASN N N 15 119.490 0.400 . 1 . . . . 49 ASN N . 15109 1 535 . 1 1 49 49 ASN ND2 N 15 112.409 0.400 . 1 . . . . 49 ASN ND2 . 15109 1 536 . 1 1 50 50 ASN HA H 1 5.073 0.020 . 1 . . . . 50 ASN HA . 15109 1 537 . 1 1 50 50 ASN HB2 H 1 2.969 0.020 . 2 . . . . 50 ASN HB2 . 15109 1 538 . 1 1 50 50 ASN HB3 H 1 2.769 0.020 . 2 . . . . 50 ASN HB3 . 15109 1 539 . 1 1 50 50 ASN HD21 H 1 6.959 0.020 . 2 . . . . 50 ASN HD21 . 15109 1 540 . 1 1 50 50 ASN HD22 H 1 7.616 0.020 . 2 . . . . 50 ASN HD22 . 15109 1 541 . 1 1 50 50 ASN C C 13 175.850 0.400 . 1 . . . . 50 ASN C . 15109 1 542 . 1 1 50 50 ASN CA C 13 52.844 0.400 . 1 . . . . 50 ASN CA . 15109 1 543 . 1 1 50 50 ASN CB C 13 38.348 0.400 . 1 . . . . 50 ASN CB . 15109 1 544 . 1 1 50 50 ASN ND2 N 15 112.905 0.400 . 1 . . . . 50 ASN ND2 . 15109 1 545 . 1 1 51 51 GLY H H 1 8.117 0.020 . 1 . . . . 51 GLY H . 15109 1 546 . 1 1 51 51 GLY HA2 H 1 4.082 0.020 . 2 . . . . 51 GLY HA2 . 15109 1 547 . 1 1 51 51 GLY HA3 H 1 3.432 0.020 . 2 . . . . 51 GLY HA3 . 15109 1 548 . 1 1 51 51 GLY C C 13 172.065 0.400 . 1 . . . . 51 GLY C . 15109 1 549 . 1 1 51 51 GLY CA C 13 43.991 0.400 . 1 . . . . 51 GLY CA . 15109 1 550 . 1 1 51 51 GLY N N 15 109.440 0.400 . 1 . . . . 51 GLY N . 15109 1 551 . 1 1 52 52 VAL H H 1 7.762 0.020 . 1 . . . . 52 VAL H . 15109 1 552 . 1 1 52 52 VAL HA H 1 4.111 0.020 . 1 . . . . 52 VAL HA . 15109 1 553 . 1 1 52 52 VAL HB H 1 1.865 0.020 . 1 . . . . 52 VAL HB . 15109 1 554 . 1 1 52 52 VAL HG11 H 1 0.881 0.400 . 2 . . . . 52 VAL HG1 . 15109 1 555 . 1 1 52 52 VAL HG12 H 1 0.881 0.400 . 2 . . . . 52 VAL HG1 . 15109 1 556 . 1 1 52 52 VAL HG13 H 1 0.881 0.400 . 2 . . . . 52 VAL HG1 . 15109 1 557 . 1 1 52 52 VAL HG21 H 1 0.934 0.400 . 2 . . . . 52 VAL HG2 . 15109 1 558 . 1 1 52 52 VAL HG22 H 1 0.934 0.400 . 2 . . . . 52 VAL HG2 . 15109 1 559 . 1 1 52 52 VAL HG23 H 1 0.934 0.400 . 2 . . . . 52 VAL HG2 . 15109 1 560 . 1 1 52 52 VAL CA C 13 58.178 0.400 . 1 . . . . 52 VAL CA . 15109 1 561 . 1 1 52 52 VAL CB C 13 35.069 0.400 . 1 . . . . 52 VAL CB . 15109 1 562 . 1 1 52 52 VAL CG1 C 13 20.636 0.400 . 1 . . . . 52 VAL CG1 . 15109 1 563 . 1 1 52 52 VAL CG2 C 13 21.319 0.400 . 1 . . . . 52 VAL CG2 . 15109 1 564 . 1 1 52 52 VAL N N 15 115.586 0.400 . 1 . . . . 52 VAL N . 15109 1 565 . 1 1 53 53 PRO HA H 1 4.304 0.020 . 1 . . . . 53 PRO HA . 15109 1 566 . 1 1 53 53 PRO HB2 H 1 0.787 0.020 . 2 . . . . 53 PRO HB2 . 15109 1 567 . 1 1 53 53 PRO HB3 H 1 1.259 0.020 . 2 . . . . 53 PRO HB3 . 15109 1 568 . 1 1 53 53 PRO HG2 H 1 1.950 0.020 . 2 . . . . 53 PRO HG2 . 15109 1 569 . 1 1 53 53 PRO HG3 H 1 1.485 0.020 . 2 . . . . 53 PRO HG3 . 15109 1 570 . 1 1 53 53 PRO HD2 H 1 3.722 0.020 . 2 . . . . 53 PRO HD2 . 15109 1 571 . 1 1 53 53 PRO HD3 H 1 2.982 0.020 . 2 . . . . 53 PRO HD3 . 15109 1 572 . 1 1 53 53 PRO CA C 13 61.402 0.400 . 1 . . . . 53 PRO CA . 15109 1 573 . 1 1 53 53 PRO CB C 13 32.118 0.400 . 1 . . . . 53 PRO CB . 15109 1 574 . 1 1 53 53 PRO CG C 13 27.262 0.400 . 1 . . . . 53 PRO CG . 15109 1 575 . 1 1 53 53 PRO CD C 13 50.207 0.400 . 1 . . . . 53 PRO CD . 15109 1 576 . 1 1 54 54 PRO HA H 1 4.513 0.020 . 1 . . . . 54 PRO HA . 15109 1 577 . 1 1 54 54 PRO HB2 H 1 2.727 0.020 . 2 . . . . 54 PRO HB2 . 15109 1 578 . 1 1 54 54 PRO HB3 H 1 2.047 0.020 . 2 . . . . 54 PRO HB3 . 15109 1 579 . 1 1 54 54 PRO HG2 H 1 2.360 0.400 . 1 . . . . 54 PRO HG2 . 15109 1 580 . 1 1 54 54 PRO HG3 H 1 2.360 0.400 . 1 . . . . 54 PRO HG3 . 15109 1 581 . 1 1 54 54 PRO HD2 H 1 3.643 0.020 . 2 . . . . 54 PRO HD2 . 15109 1 582 . 1 1 54 54 PRO HD3 H 1 3.377 0.020 . 2 . . . . 54 PRO HD3 . 15109 1 583 . 1 1 54 54 PRO C C 13 176.637 0.400 . 1 . . . . 54 PRO C . 15109 1 584 . 1 1 54 54 PRO CA C 13 65.351 0.400 . 1 . . . . 54 PRO CA . 15109 1 585 . 1 1 54 54 PRO CB C 13 34.433 0.400 . 1 . . . . 54 PRO CB . 15109 1 586 . 1 1 54 54 PRO CG C 13 27.836 0.400 . 1 . . . . 54 PRO CG . 15109 1 587 . 1 1 54 54 PRO CD C 13 51.382 0.400 . 1 . . . . 54 PRO CD . 15109 1 588 . 1 1 55 55 VAL H H 1 7.894 0.020 . 1 . . . . 55 VAL H . 15109 1 589 . 1 1 55 55 VAL HA H 1 3.740 0.020 . 1 . . . . 55 VAL HA . 15109 1 590 . 1 1 55 55 VAL HB H 1 1.480 0.020 . 1 . . . . 55 VAL HB . 15109 1 591 . 1 1 55 55 VAL HG11 H 1 -0.821 0.400 . 2 . . . . 55 VAL HG1 . 15109 1 592 . 1 1 55 55 VAL HG12 H 1 -0.821 0.400 . 2 . . . . 55 VAL HG1 . 15109 1 593 . 1 1 55 55 VAL HG13 H 1 -0.821 0.400 . 2 . . . . 55 VAL HG1 . 15109 1 594 . 1 1 55 55 VAL HG21 H 1 0.282 0.400 . 2 . . . . 55 VAL HG2 . 15109 1 595 . 1 1 55 55 VAL HG22 H 1 0.282 0.400 . 2 . . . . 55 VAL HG2 . 15109 1 596 . 1 1 55 55 VAL HG23 H 1 0.282 0.400 . 2 . . . . 55 VAL HG2 . 15109 1 597 . 1 1 55 55 VAL C C 13 173.859 0.400 . 1 . . . . 55 VAL C . 15109 1 598 . 1 1 55 55 VAL CA C 13 62.441 0.400 . 1 . . . . 55 VAL CA . 15109 1 599 . 1 1 55 55 VAL CB C 13 31.927 0.400 . 1 . . . . 55 VAL CB . 15109 1 600 . 1 1 55 55 VAL CG1 C 13 19.925 0.400 . 1 . . . . 55 VAL CG1 . 15109 1 601 . 1 1 55 55 VAL CG2 C 13 22.548 0.400 . 1 . . . . 55 VAL CG2 . 15109 1 602 . 1 1 55 55 VAL N N 15 117.100 0.400 . 1 . . . . 55 VAL N . 15109 1 603 . 1 1 56 56 GLN H H 1 8.812 0.020 . 1 . . . . 56 GLN H . 15109 1 604 . 1 1 56 56 GLN HA H 1 3.454 0.020 . 1 . . . . 56 GLN HA . 15109 1 605 . 1 1 56 56 GLN HB2 H 1 1.270 0.020 . 2 . . . . 56 GLN HB2 . 15109 1 606 . 1 1 56 56 GLN HB3 H 1 -1.231 0.020 . 2 . . . . 56 GLN HB3 . 15109 1 607 . 1 1 56 56 GLN HG2 H 1 0.960 0.020 . 2 . . . . 56 GLN HG2 . 15109 1 608 . 1 1 56 56 GLN HG3 H 1 0.351 0.020 . 2 . . . . 56 GLN HG3 . 15109 1 609 . 1 1 56 56 GLN HE21 H 1 6.506 0.020 . 2 . . . . 56 GLN HE21 . 15109 1 610 . 1 1 56 56 GLN HE22 H 1 7.194 0.020 . 2 . . . . 56 GLN HE22 . 15109 1 611 . 1 1 56 56 GLN C C 13 174.034 0.400 . 1 . . . . 56 GLN C . 15109 1 612 . 1 1 56 56 GLN CA C 13 55.555 0.400 . 1 . . . . 56 GLN CA . 15109 1 613 . 1 1 56 56 GLN CB C 13 27.972 0.400 . 1 . . . . 56 GLN CB . 15109 1 614 . 1 1 56 56 GLN CG C 13 35.179 0.400 . 1 . . . . 56 GLN CG . 15109 1 615 . 1 1 56 56 GLN N N 15 129.002 0.400 . 1 . . . . 56 GLN N . 15109 1 616 . 1 1 56 56 GLN NE2 N 15 113.009 0.400 . 1 . . . . 56 GLN NE2 . 15109 1 617 . 1 1 57 57 VAL H H 1 7.402 0.020 . 1 . . . . 57 VAL H . 15109 1 618 . 1 1 57 57 VAL HA H 1 4.162 0.020 . 1 . . . . 57 VAL HA . 15109 1 619 . 1 1 57 57 VAL HB H 1 1.067 0.020 . 1 . . . . 57 VAL HB . 15109 1 620 . 1 1 57 57 VAL HG11 H 1 -1.287 0.400 . 2 . . . . 57 VAL HG1 . 15109 1 621 . 1 1 57 57 VAL HG12 H 1 -1.287 0.400 . 2 . . . . 57 VAL HG1 . 15109 1 622 . 1 1 57 57 VAL HG13 H 1 -1.287 0.400 . 2 . . . . 57 VAL HG1 . 15109 1 623 . 1 1 57 57 VAL HG21 H 1 0.489 0.400 . 2 . . . . 57 VAL HG2 . 15109 1 624 . 1 1 57 57 VAL HG22 H 1 0.489 0.400 . 2 . . . . 57 VAL HG2 . 15109 1 625 . 1 1 57 57 VAL HG23 H 1 0.489 0.400 . 2 . . . . 57 VAL HG2 . 15109 1 626 . 1 1 57 57 VAL C C 13 173.619 0.400 . 1 . . . . 57 VAL C . 15109 1 627 . 1 1 57 57 VAL CA C 13 59.299 0.400 . 1 . . . . 57 VAL CA . 15109 1 628 . 1 1 57 57 VAL CB C 13 36.490 0.400 . 1 . . . . 57 VAL CB . 15109 1 629 . 1 1 57 57 VAL CG1 C 13 18.614 0.400 . 1 . . . . 57 VAL CG1 . 15109 1 630 . 1 1 57 57 VAL CG2 C 13 22.521 0.400 . 1 . . . . 57 VAL CG2 . 15109 1 631 . 1 1 57 57 VAL N N 15 129.395 0.400 . 1 . . . . 57 VAL N . 15109 1 632 . 1 1 58 58 PHE H H 1 8.465 0.020 . 1 . . . . 58 PHE H . 15109 1 633 . 1 1 58 58 PHE HA H 1 4.072 0.020 . 1 . . . . 58 PHE HA . 15109 1 634 . 1 1 58 58 PHE HB2 H 1 2.398 0.020 . 2 . . . . 58 PHE HB2 . 15109 1 635 . 1 1 58 58 PHE HB3 H 1 2.790 0.020 . 2 . . . . 58 PHE HB3 . 15109 1 636 . 1 1 58 58 PHE HD1 H 1 6.914 0.400 . 1 . . . . 58 PHE HD1 . 15109 1 637 . 1 1 58 58 PHE HD2 H 1 6.914 0.400 . 1 . . . . 58 PHE HD2 . 15109 1 638 . 1 1 58 58 PHE HE1 H 1 7.177 0.400 . 1 . . . . 58 PHE HE1 . 15109 1 639 . 1 1 58 58 PHE HE2 H 1 7.177 0.400 . 1 . . . . 58 PHE HE2 . 15109 1 640 . 1 1 58 58 PHE C C 13 173.269 0.400 . 1 . . . . 58 PHE C . 15109 1 641 . 1 1 58 58 PHE CA C 13 57.577 0.400 . 1 . . . . 58 PHE CA . 15109 1 642 . 1 1 58 58 PHE CB C 13 39.988 0.400 . 1 . . . . 58 PHE CB . 15109 1 643 . 1 1 58 58 PHE CD1 C 13 131.400 0.400 . 1 . . . . 58 PHE CD1 . 15109 1 644 . 1 1 58 58 PHE CE1 C 13 131.400 0.400 . 1 . . . . 58 PHE CE1 . 15109 1 645 . 1 1 58 58 PHE N N 15 125.306 0.400 . 1 . . . . 58 PHE N . 15109 1 646 . 1 1 59 59 TRP H H 1 7.769 0.020 . 1 . . . . 59 TRP H . 15109 1 647 . 1 1 59 59 TRP HA H 1 4.441 0.020 . 1 . . . . 59 TRP HA . 15109 1 648 . 1 1 59 59 TRP HB2 H 1 3.280 0.400 . 1 . . . . 59 TRP HB2 . 15109 1 649 . 1 1 59 59 TRP HB3 H 1 3.280 0.400 . 1 . . . . 59 TRP HB3 . 15109 1 650 . 1 1 59 59 TRP HD1 H 1 7.205 0.020 . 1 . . . . 59 TRP HD1 . 15109 1 651 . 1 1 59 59 TRP HE1 H 1 8.357 0.020 . 1 . . . . 59 TRP HE1 . 15109 1 652 . 1 1 59 59 TRP HZ2 H 1 7.075 0.020 . 1 . . . . 59 TRP HZ2 . 15109 1 653 . 1 1 59 59 TRP HZ3 H 1 7.303 0.020 . 1 . . . . 59 TRP HZ3 . 15109 1 654 . 1 1 59 59 TRP HH2 H 1 6.805 0.020 . 1 . . . . 59 TRP HH2 . 15109 1 655 . 1 1 59 59 TRP C C 13 176.025 0.400 . 1 . . . . 59 TRP C . 15109 1 656 . 1 1 59 59 TRP CA C 13 56.593 0.400 . 1 . . . . 59 TRP CA . 15109 1 657 . 1 1 59 59 TRP CB C 13 29.338 0.400 . 1 . . . . 59 TRP CB . 15109 1 658 . 1 1 59 59 TRP CD1 C 13 129.300 0.400 . 1 . . . . 59 TRP CD1 . 15109 1 659 . 1 1 59 59 TRP CZ2 C 13 113.500 0.400 . 1 . . . . 59 TRP CZ2 . 15109 1 660 . 1 1 59 59 TRP CZ3 C 13 121.200 0.400 . 1 . . . . 59 TRP CZ3 . 15109 1 661 . 1 1 59 59 TRP CH2 C 13 125.200 0.400 . 1 . . . . 59 TRP CH2 . 15109 1 662 . 1 1 59 59 TRP N N 15 131.363 0.400 . 1 . . . . 59 TRP N . 15109 1 663 . 1 1 59 59 TRP NE1 N 15 125.000 0.400 . 1 . . . . 59 TRP NE1 . 15109 1 664 . 1 1 60 60 GLU H H 1 9.021 0.020 . 1 . . . . 60 GLU H . 15109 1 665 . 1 1 60 60 GLU HA H 1 3.951 0.020 . 1 . . . . 60 GLU HA . 15109 1 666 . 1 1 60 60 GLU HB2 H 1 2.118 0.400 . 1 . . . . 60 GLU HB2 . 15109 1 667 . 1 1 60 60 GLU HB3 H 1 2.118 0.400 . 1 . . . . 60 GLU HB3 . 15109 1 668 . 1 1 60 60 GLU HG2 H 1 2.402 0.400 . 1 . . . . 60 GLU HG2 . 15109 1 669 . 1 1 60 60 GLU HG3 H 1 2.402 0.400 . 1 . . . . 60 GLU HG3 . 15109 1 670 . 1 1 60 60 GLU C C 13 178.672 0.400 . 1 . . . . 60 GLU C . 15109 1 671 . 1 1 60 60 GLU CA C 13 58.656 0.400 . 1 . . . . 60 GLU CA . 15109 1 672 . 1 1 60 60 GLU CB C 13 29.420 0.400 . 1 . . . . 60 GLU CB . 15109 1 673 . 1 1 60 60 GLU CG C 13 36.613 0.400 . 1 . . . . 60 GLU CG . 15109 1 674 . 1 1 60 60 GLU N N 15 123.388 0.400 . 1 . . . . 60 GLU N . 15109 1 675 . 1 1 61 61 SER H H 1 8.401 0.020 . 1 . . . . 61 SER H . 15109 1 676 . 1 1 61 61 SER HA H 1 4.199 0.020 . 1 . . . . 61 SER HA . 15109 1 677 . 1 1 61 61 SER HB2 H 1 3.901 0.400 . 1 . . . . 61 SER HB2 . 15109 1 678 . 1 1 61 61 SER HB3 H 1 3.901 0.400 . 1 . . . . 61 SER HB3 . 15109 1 679 . 1 1 61 61 SER C C 13 176.462 0.400 . 1 . . . . 61 SER C . 15109 1 680 . 1 1 61 61 SER CA C 13 59.585 0.400 . 1 . . . . 61 SER CA . 15109 1 681 . 1 1 61 61 SER CB C 13 62.632 0.400 . 1 . . . . 61 SER CB . 15109 1 682 . 1 1 61 61 SER N N 15 111.939 0.400 . 1 . . . . 61 SER N . 15109 1 683 . 1 1 62 62 THR H H 1 6.995 0.020 . 1 . . . . 62 THR H . 15109 1 684 . 1 1 62 62 THR HA H 1 4.322 0.020 . 1 . . . . 62 THR HA . 15109 1 685 . 1 1 62 62 THR HB H 1 4.087 0.020 . 1 . . . . 62 THR HB . 15109 1 686 . 1 1 62 62 THR HG21 H 1 1.002 0.400 . 1 . . . . 62 THR HG2 . 15109 1 687 . 1 1 62 62 THR HG22 H 1 1.002 0.400 . 1 . . . . 62 THR HG2 . 15109 1 688 . 1 1 62 62 THR HG23 H 1 1.002 0.400 . 1 . . . . 62 THR HG2 . 15109 1 689 . 1 1 62 62 THR C C 13 176.572 0.400 . 1 . . . . 62 THR C . 15109 1 690 . 1 1 62 62 THR CA C 13 61.170 0.400 . 1 . . . . 62 THR CA . 15109 1 691 . 1 1 62 62 THR CB C 13 70.037 0.400 . 1 . . . . 62 THR CB . 15109 1 692 . 1 1 62 62 THR CG2 C 13 22.302 0.400 . 1 . . . . 62 THR CG2 . 15109 1 693 . 1 1 62 62 THR N N 15 108.452 0.400 . 1 . . . . 62 THR N . 15109 1 694 . 1 1 63 63 GLY H H 1 8.175 0.020 . 1 . . . . 63 GLY H . 15109 1 695 . 1 1 63 63 GLY HA2 H 1 3.584 0.020 . 2 . . . . 63 GLY HA2 . 15109 1 696 . 1 1 63 63 GLY HA3 H 1 3.928 0.020 . 2 . . . . 63 GLY HA3 . 15109 1 697 . 1 1 63 63 GLY C C 13 173.487 0.400 . 1 . . . . 63 GLY C . 15109 1 698 . 1 1 63 63 GLY CA C 13 46.791 0.400 . 1 . . . . 63 GLY CA . 15109 1 699 . 1 1 63 63 GLY N N 15 112.062 0.400 . 1 . . . . 63 GLY N . 15109 1 700 . 1 1 64 64 ARG H H 1 7.652 0.020 . 1 . . . . 64 ARG H . 15109 1 701 . 1 1 64 64 ARG HA H 1 4.740 0.020 . 1 . . . . 64 ARG HA . 15109 1 702 . 1 1 64 64 ARG HB2 H 1 1.979 0.020 . 2 . . . . 64 ARG HB2 . 15109 1 703 . 1 1 64 64 ARG HB3 H 1 1.790 0.020 . 2 . . . . 64 ARG HB3 . 15109 1 704 . 1 1 64 64 ARG HG2 H 1 1.587 0.400 . 1 . . . . 64 ARG HG2 . 15109 1 705 . 1 1 64 64 ARG HG3 H 1 1.587 0.400 . 1 . . . . 64 ARG HG3 . 15109 1 706 . 1 1 64 64 ARG HD2 H 1 3.203 0.020 . 2 . . . . 64 ARG HD2 . 15109 1 707 . 1 1 64 64 ARG HD3 H 1 3.288 0.020 . 2 . . . . 64 ARG HD3 . 15109 1 708 . 1 1 64 64 ARG C C 13 175.478 0.400 . 1 . . . . 64 ARG C . 15109 1 709 . 1 1 64 64 ARG CA C 13 54.230 0.400 . 1 . . . . 64 ARG CA . 15109 1 710 . 1 1 64 64 ARG CB C 13 34.796 0.400 . 1 . . . . 64 ARG CB . 15109 1 711 . 1 1 64 64 ARG CG C 13 27.375 0.400 . 1 . . . . 64 ARG CG . 15109 1 712 . 1 1 64 64 ARG CD C 13 43.608 0.400 . 1 . . . . 64 ARG CD . 15109 1 713 . 1 1 64 64 ARG N N 15 117.175 0.400 . 1 . . . . 64 ARG N . 15109 1 714 . 1 1 65 65 THR H H 1 8.227 0.020 . 1 . . . . 65 THR H . 15109 1 715 . 1 1 65 65 THR HA H 1 5.465 0.020 . 1 . . . . 65 THR HA . 15109 1 716 . 1 1 65 65 THR HB H 1 3.720 0.020 . 1 . . . . 65 THR HB . 15109 1 717 . 1 1 65 65 THR HG21 H 1 1.065 0.400 . 1 . . . . 65 THR HG2 . 15109 1 718 . 1 1 65 65 THR HG22 H 1 1.065 0.400 . 1 . . . . 65 THR HG2 . 15109 1 719 . 1 1 65 65 THR HG23 H 1 1.065 0.400 . 1 . . . . 65 THR HG2 . 15109 1 720 . 1 1 65 65 THR C C 13 176.134 0.400 . 1 . . . . 65 THR C . 15109 1 721 . 1 1 65 65 THR CA C 13 60.309 0.400 . 1 . . . . 65 THR CA . 15109 1 722 . 1 1 65 65 THR CB C 13 71.130 0.400 . 1 . . . . 65 THR CB . 15109 1 723 . 1 1 65 65 THR CG2 C 13 22.330 0.400 . 1 . . . . 65 THR CG2 . 15109 1 724 . 1 1 65 65 THR N N 15 109.582 0.400 . 1 . . . . 65 THR N . 15109 1 725 . 1 1 66 66 TYR H H 1 8.867 0.020 . 1 . . . . 66 TYR H . 15109 1 726 . 1 1 66 66 TYR HA H 1 4.564 0.020 . 1 . . . . 66 TYR HA . 15109 1 727 . 1 1 66 66 TYR HB2 H 1 3.340 0.020 . 2 . . . . 66 TYR HB2 . 15109 1 728 . 1 1 66 66 TYR HB3 H 1 2.968 0.020 . 2 . . . . 66 TYR HB3 . 15109 1 729 . 1 1 66 66 TYR HD1 H 1 7.232 0.400 . 1 . . . . 66 TYR HD1 . 15109 1 730 . 1 1 66 66 TYR HD2 H 1 7.232 0.400 . 1 . . . . 66 TYR HD2 . 15109 1 731 . 1 1 66 66 TYR HE1 H 1 6.930 0.400 . 1 . . . . 66 TYR HE1 . 15109 1 732 . 1 1 66 66 TYR HE2 H 1 6.930 0.400 . 1 . . . . 66 TYR HE2 . 15109 1 733 . 1 1 66 66 TYR C C 13 175.215 0.400 . 1 . . . . 66 TYR C . 15109 1 734 . 1 1 66 66 TYR CA C 13 60.337 0.400 . 1 . . . . 66 TYR CA . 15109 1 735 . 1 1 66 66 TYR CB C 13 44.496 0.400 . 1 . . . . 66 TYR CB . 15109 1 736 . 1 1 66 66 TYR CD1 C 13 134.200 0.400 . 1 . . . . 66 TYR CD1 . 15109 1 737 . 1 1 66 66 TYR CE1 C 13 118.200 0.400 . 1 . . . . 66 TYR CE1 . 15109 1 738 . 1 1 66 66 TYR N N 15 121.772 0.400 . 1 . . . . 66 TYR N . 15109 1 739 . 1 1 67 67 TRP H H 1 8.154 0.020 . 1 . . . . 67 TRP H . 15109 1 740 . 1 1 67 67 TRP HA H 1 5.448 0.020 . 1 . . . . 67 TRP HA . 15109 1 741 . 1 1 67 67 TRP HB2 H 1 2.825 0.020 . 2 . . . . 67 TRP HB2 . 15109 1 742 . 1 1 67 67 TRP HB3 H 1 2.745 0.020 . 2 . . . . 67 TRP HB3 . 15109 1 743 . 1 1 67 67 TRP HD1 H 1 7.190 0.020 . 1 . . . . 67 TRP HD1 . 15109 1 744 . 1 1 67 67 TRP HE1 H 1 10.010 0.020 . 1 . . . . 67 TRP HE1 . 15109 1 745 . 1 1 67 67 TRP HZ2 H 1 7.170 0.020 . 1 . . . . 67 TRP HZ2 . 15109 1 746 . 1 1 67 67 TRP HZ3 H 1 7.195 0.020 . 1 . . . . 67 TRP HZ3 . 15109 1 747 . 1 1 67 67 TRP HH2 H 1 6.688 0.020 . 1 . . . . 67 TRP HH2 . 15109 1 748 . 1 1 67 67 TRP C C 13 176.222 0.400 . 1 . . . . 67 TRP C . 15109 1 749 . 1 1 67 67 TRP CA C 13 56.580 0.400 . 1 . . . . 67 TRP CA . 15109 1 750 . 1 1 67 67 TRP CB C 13 27.945 0.400 . 1 . . . . 67 TRP CB . 15109 1 751 . 1 1 67 67 TRP CD1 C 13 127.500 0.400 . 1 . . . . 67 TRP CD1 . 15109 1 752 . 1 1 67 67 TRP CZ2 C 13 113.800 0.400 . 1 . . . . 67 TRP CZ2 . 15109 1 753 . 1 1 67 67 TRP CZ3 C 13 122.900 0.400 . 1 . . . . 67 TRP CZ3 . 15109 1 754 . 1 1 67 67 TRP CH2 C 13 124.100 0.400 . 1 . . . . 67 TRP CH2 . 15109 1 755 . 1 1 67 67 TRP N N 15 128.561 0.400 . 1 . . . . 67 TRP N . 15109 1 756 . 1 1 67 67 TRP NE1 N 15 129.428 0.400 . 1 . . . . 67 TRP NE1 . 15109 1 757 . 1 1 68 68 VAL H H 1 9.675 0.020 . 1 . . . . 68 VAL H . 15109 1 758 . 1 1 68 68 VAL HA H 1 4.535 0.020 . 1 . . . . 68 VAL HA . 15109 1 759 . 1 1 68 68 VAL HB H 1 2.296 0.020 . 1 . . . . 68 VAL HB . 15109 1 760 . 1 1 68 68 VAL HG11 H 1 0.887 0.400 . 2 . . . . 68 VAL HG1 . 15109 1 761 . 1 1 68 68 VAL HG12 H 1 0.887 0.400 . 2 . . . . 68 VAL HG1 . 15109 1 762 . 1 1 68 68 VAL HG13 H 1 0.887 0.400 . 2 . . . . 68 VAL HG1 . 15109 1 763 . 1 1 68 68 VAL HG21 H 1 1.266 0.400 . 2 . . . . 68 VAL HG2 . 15109 1 764 . 1 1 68 68 VAL HG22 H 1 1.266 0.400 . 2 . . . . 68 VAL HG2 . 15109 1 765 . 1 1 68 68 VAL HG23 H 1 1.266 0.400 . 2 . . . . 68 VAL HG2 . 15109 1 766 . 1 1 68 68 VAL C C 13 173.225 0.400 . 1 . . . . 68 VAL C . 15109 1 767 . 1 1 68 68 VAL CA C 13 58.766 0.400 . 1 . . . . 68 VAL CA . 15109 1 768 . 1 1 68 68 VAL CB C 13 36.012 0.400 . 1 . . . . 68 VAL CB . 15109 1 769 . 1 1 68 68 VAL CG1 C 13 18.573 0.400 . 1 . . . . 68 VAL CG1 . 15109 1 770 . 1 1 68 68 VAL CG2 C 13 22.371 0.400 . 1 . . . . 68 VAL CG2 . 15109 1 771 . 1 1 68 68 VAL N N 15 113.136 0.400 . 1 . . . . 68 VAL N . 15109 1 772 . 1 1 69 69 HIS H H 1 6.828 0.020 . 1 . . . . 69 HIS H . 15109 1 773 . 1 1 69 69 HIS HA H 1 4.465 0.020 . 1 . . . . 69 HIS HA . 15109 1 774 . 1 1 69 69 HIS HB2 H 1 3.247 0.020 . 2 . . . . 69 HIS HB2 . 15109 1 775 . 1 1 69 69 HIS HB3 H 1 2.308 0.020 . 2 . . . . 69 HIS HB3 . 15109 1 776 . 1 1 69 69 HIS HD2 H 1 6.408 0.020 . 1 . . . . 69 HIS HD2 . 15109 1 777 . 1 1 69 69 HIS C C 13 176.561 0.400 . 1 . . . . 69 HIS C . 15109 1 778 . 1 1 69 69 HIS CA C 13 56.457 0.400 . 1 . . . . 69 HIS CA . 15109 1 779 . 1 1 69 69 HIS CB C 13 34.195 0.400 . 1 . . . . 69 HIS CB . 15109 1 780 . 1 1 69 69 HIS CD2 C 13 117.600 0.400 . 1 . . . . 69 HIS CD2 . 15109 1 781 . 1 1 69 69 HIS N N 15 116.840 0.400 . 1 . . . . 69 HIS N . 15109 1 782 . 1 1 70 70 TRP H H 1 7.631 0.020 . 1 . . . . 70 TRP H . 15109 1 783 . 1 1 70 70 TRP HA H 1 4.037 0.020 . 1 . . . . 70 TRP HA . 15109 1 784 . 1 1 70 70 TRP HB2 H 1 3.361 0.400 . 1 . . . . 70 TRP HB2 . 15109 1 785 . 1 1 70 70 TRP HB3 H 1 3.361 0.400 . 1 . . . . 70 TRP HB3 . 15109 1 786 . 1 1 70 70 TRP HD1 H 1 7.520 0.020 . 1 . . . . 70 TRP HD1 . 15109 1 787 . 1 1 70 70 TRP HE1 H 1 10.497 0.020 . 1 . . . . 70 TRP HE1 . 15109 1 788 . 1 1 70 70 TRP HE3 H 1 7.190 0.020 . 1 . . . . 70 TRP HE3 . 15109 1 789 . 1 1 70 70 TRP HZ2 H 1 7.585 0.020 . 1 . . . . 70 TRP HZ2 . 15109 1 790 . 1 1 70 70 TRP HZ3 H 1 6.580 0.020 . 1 . . . . 70 TRP HZ3 . 15109 1 791 . 1 1 70 70 TRP HH2 H 1 7.257 0.020 . 1 . . . . 70 TRP HH2 . 15109 1 792 . 1 1 70 70 TRP C C 13 177.206 0.400 . 1 . . . . 70 TRP C . 15109 1 793 . 1 1 70 70 TRP CA C 13 60.378 0.400 . 1 . . . . 70 TRP CA . 15109 1 794 . 1 1 70 70 TRP CB C 13 31.544 0.400 . 1 . . . . 70 TRP CB . 15109 1 795 . 1 1 70 70 TRP CD1 C 13 128.400 0.400 . 1 . . . . 70 TRP CD1 . 15109 1 796 . 1 1 70 70 TRP CE3 C 13 120.700 0.400 . 1 . . . . 70 TRP CE3 . 15109 1 797 . 1 1 70 70 TRP CZ2 C 13 114.800 0.400 . 1 . . . . 70 TRP CZ2 . 15109 1 798 . 1 1 70 70 TRP CZ3 C 13 122.500 0.400 . 1 . . . . 70 TRP CZ3 . 15109 1 799 . 1 1 70 70 TRP CH2 C 13 125.300 0.400 . 1 . . . . 70 TRP CH2 . 15109 1 800 . 1 1 70 70 TRP N N 15 118.716 0.400 . 1 . . . . 70 TRP N . 15109 1 801 . 1 1 70 70 TRP NE1 N 15 129.261 0.400 . 1 . . . . 70 TRP NE1 . 15109 1 802 . 1 1 71 71 HIS H H 1 8.094 0.020 . 1 . . . . 71 HIS H . 15109 1 803 . 1 1 71 71 HIS HA H 1 4.465 0.020 . 1 . . . . 71 HIS HA . 15109 1 804 . 1 1 71 71 HIS HB2 H 1 3.081 0.020 . 2 . . . . 71 HIS HB2 . 15109 1 805 . 1 1 71 71 HIS HB3 H 1 3.557 0.020 . 2 . . . . 71 HIS HB3 . 15109 1 806 . 1 1 71 71 HIS HD2 H 1 6.850 0.020 . 1 . . . . 71 HIS HD2 . 15109 1 807 . 1 1 71 71 HIS HE1 H 1 7.417 0.020 . 1 . . . . 71 HIS HE1 . 15109 1 808 . 1 1 71 71 HIS C C 13 174.450 0.400 . 1 . . . . 71 HIS C . 15109 1 809 . 1 1 71 71 HIS CA C 13 58.028 0.400 . 1 . . . . 71 HIS CA . 15109 1 810 . 1 1 71 71 HIS CB C 13 30.329 0.400 . 1 . . . . 71 HIS CB . 15109 1 811 . 1 1 71 71 HIS CD2 C 13 118.700 0.400 . 1 . . . . 71 HIS CD2 . 15109 1 812 . 1 1 71 71 HIS CE1 C 13 138.600 0.400 . 1 . . . . 71 HIS CE1 . 15109 1 813 . 1 1 71 71 HIS N N 15 106.507 0.400 . 1 . . . . 71 HIS N . 15109 1 814 . 1 1 72 72 MET H H 1 7.000 0.020 . 1 . . . . 72 MET H . 15109 1 815 . 1 1 72 72 MET HA H 1 4.142 0.020 . 1 . . . . 72 MET HA . 15109 1 816 . 1 1 72 72 MET HB2 H 1 1.652 0.020 . 2 . . . . 72 MET HB2 . 15109 1 817 . 1 1 72 72 MET HB3 H 1 2.716 0.020 . 2 . . . . 72 MET HB3 . 15109 1 818 . 1 1 72 72 MET HG2 H 1 1.409 0.020 . 2 . . . . 72 MET HG2 . 15109 1 819 . 1 1 72 72 MET HG3 H 1 2.541 0.020 . 2 . . . . 72 MET HG3 . 15109 1 820 . 1 1 72 72 MET HE1 H 1 1.757 0.400 . 1 . . . . 72 MET HE . 15109 1 821 . 1 1 72 72 MET HE2 H 1 1.757 0.400 . 1 . . . . 72 MET HE . 15109 1 822 . 1 1 72 72 MET HE3 H 1 1.757 0.400 . 1 . . . . 72 MET HE . 15109 1 823 . 1 1 72 72 MET C C 13 173.115 0.400 . 1 . . . . 72 MET C . 15109 1 824 . 1 1 72 72 MET CA C 13 56.552 0.400 . 1 . . . . 72 MET CA . 15109 1 825 . 1 1 72 72 MET CB C 13 32.514 0.400 . 1 . . . . 72 MET CB . 15109 1 826 . 1 1 72 72 MET CG C 13 33.539 0.400 . 1 . . . . 72 MET CG . 15109 1 827 . 1 1 72 72 MET CE C 13 19.230 0.400 . 1 . . . . 72 MET CE . 15109 1 828 . 1 1 72 72 MET N N 15 116.765 0.400 . 1 . . . . 72 MET N . 15109 1 829 . 1 1 73 73 LEU H H 1 7.242 0.020 . 1 . . . . 73 LEU H . 15109 1 830 . 1 1 73 73 LEU HA H 1 5.131 0.020 . 1 . . . . 73 LEU HA . 15109 1 831 . 1 1 73 73 LEU HD11 H 1 0.990 0.400 . 2 . . . . 73 LEU HD1 . 15109 1 832 . 1 1 73 73 LEU HD12 H 1 0.990 0.400 . 2 . . . . 73 LEU HD1 . 15109 1 833 . 1 1 73 73 LEU HD13 H 1 0.990 0.400 . 2 . . . . 73 LEU HD1 . 15109 1 834 . 1 1 73 73 LEU C C 13 176.003 0.400 . 1 . . . . 73 LEU C . 15109 1 835 . 1 1 73 73 LEU CD1 C 13 22.400 0.400 . 1 . . . . 73 LEU CD1 . 15109 1 836 . 1 1 73 73 LEU N N 15 115.800 0.400 . 1 . . . . 73 LEU N . 15109 1 837 . 1 1 74 74 GLU H H 1 9.470 0.020 . 1 . . . . 74 GLU H . 15109 1 838 . 1 1 74 74 GLU HA H 1 4.541 0.020 . 1 . . . . 74 GLU HA . 15109 1 839 . 1 1 74 74 GLU HB2 H 1 2.022 0.020 . 2 . . . . 74 GLU HB2 . 15109 1 840 . 1 1 74 74 GLU HB3 H 1 2.134 0.020 . 2 . . . . 74 GLU HB3 . 15109 1 841 . 1 1 74 74 GLU HG2 H 1 1.958 0.020 . 2 . . . . 74 GLU HG2 . 15109 1 842 . 1 1 74 74 GLU HG3 H 1 2.350 0.020 . 2 . . . . 74 GLU HG3 . 15109 1 843 . 1 1 74 74 GLU C C 13 175.478 0.400 . 1 . . . . 74 GLU C . 15109 1 844 . 1 1 74 74 GLU CA C 13 54.653 0.400 . 1 . . . . 74 GLU CA . 15109 1 845 . 1 1 74 74 GLU CB C 13 32.637 0.400 . 1 . . . . 74 GLU CB . 15109 1 846 . 1 1 74 74 GLU CG C 13 36.217 0.400 . 1 . . . . 74 GLU CG . 15109 1 847 . 1 1 74 74 GLU N N 15 123.044 0.400 . 1 . . . . 74 GLU N . 15109 1 848 . 1 1 75 75 ILE H H 1 9.346 0.020 . 1 . . . . 75 ILE H . 15109 1 849 . 1 1 75 75 ILE HA H 1 3.852 0.020 . 1 . . . . 75 ILE HA . 15109 1 850 . 1 1 75 75 ILE HB H 1 1.898 0.020 . 1 . . . . 75 ILE HB . 15109 1 851 . 1 1 75 75 ILE HG12 H 1 0.713 0.020 . 2 . . . . 75 ILE HG12 . 15109 1 852 . 1 1 75 75 ILE HG13 H 1 1.728 0.020 . 2 . . . . 75 ILE HG13 . 15109 1 853 . 1 1 75 75 ILE HG21 H 1 0.807 0.400 . 1 . . . . 75 ILE HG2 . 15109 1 854 . 1 1 75 75 ILE HG22 H 1 0.807 0.400 . 1 . . . . 75 ILE HG2 . 15109 1 855 . 1 1 75 75 ILE HG23 H 1 0.807 0.400 . 1 . . . . 75 ILE HG2 . 15109 1 856 . 1 1 75 75 ILE HD11 H 1 0.727 0.400 . 1 . . . . 75 ILE HD1 . 15109 1 857 . 1 1 75 75 ILE HD12 H 1 0.727 0.400 . 1 . . . . 75 ILE HD1 . 15109 1 858 . 1 1 75 75 ILE HD13 H 1 0.727 0.400 . 1 . . . . 75 ILE HD1 . 15109 1 859 . 1 1 75 75 ILE C C 13 175.915 0.400 . 1 . . . . 75 ILE C . 15109 1 860 . 1 1 75 75 ILE CA C 13 63.479 0.400 . 1 . . . . 75 ILE CA . 15109 1 861 . 1 1 75 75 ILE CB C 13 38.403 0.400 . 1 . . . . 75 ILE CB . 15109 1 862 . 1 1 75 75 ILE CG1 C 13 27.357 0.400 . 1 . . . . 75 ILE CG1 . 15109 1 863 . 1 1 75 75 ILE CG2 C 13 18.559 0.400 . 1 . . . . 75 ILE CG2 . 15109 1 864 . 1 1 75 75 ILE CD1 C 13 14.925 0.400 . 1 . . . . 75 ILE CD1 . 15109 1 865 . 1 1 75 75 ILE N N 15 127.091 0.400 . 1 . . . . 75 ILE N . 15109 1 866 . 1 1 76 76 LEU H H 1 8.574 0.020 . 1 . . . . 76 LEU H . 15109 1 867 . 1 1 76 76 LEU HA H 1 4.576 0.020 . 1 . . . . 76 LEU HA . 15109 1 868 . 1 1 76 76 LEU HB2 H 1 1.585 0.400 . 1 . . . . 76 LEU HB2 . 15109 1 869 . 1 1 76 76 LEU HB3 H 1 1.585 0.400 . 1 . . . . 76 LEU HB3 . 15109 1 870 . 1 1 76 76 LEU HD11 H 1 0.907 0.400 . 2 . . . . 76 LEU HD1 . 15109 1 871 . 1 1 76 76 LEU HD12 H 1 0.907 0.400 . 2 . . . . 76 LEU HD1 . 15109 1 872 . 1 1 76 76 LEU HD13 H 1 0.907 0.400 . 2 . . . . 76 LEU HD1 . 15109 1 873 . 1 1 76 76 LEU HD21 H 1 0.907 0.400 . 2 . . . . 76 LEU HD2 . 15109 1 874 . 1 1 76 76 LEU HD22 H 1 0.907 0.400 . 2 . . . . 76 LEU HD2 . 15109 1 875 . 1 1 76 76 LEU HD23 H 1 0.907 0.400 . 2 . . . . 76 LEU HD2 . 15109 1 876 . 1 1 76 76 LEU C C 13 177.764 0.400 . 1 . . . . 76 LEU C . 15109 1 877 . 1 1 76 76 LEU CA C 13 53.239 0.400 . 1 . . . . 76 LEU CA . 15109 1 878 . 1 1 76 76 LEU CB C 13 41.203 0.400 . 1 . . . . 76 LEU CB . 15109 1 879 . 1 1 76 76 LEU CD1 C 13 25.314 0.400 . 1 . . . . 76 LEU CD1 . 15109 1 880 . 1 1 76 76 LEU N N 15 128.631 0.400 . 1 . . . . 76 LEU N . 15109 1 881 . 1 1 77 77 GLY H H 1 7.718 0.020 . 1 . . . . 77 GLY H . 15109 1 882 . 1 1 77 77 GLY HA2 H 1 3.581 0.020 . 2 . . . . 77 GLY HA2 . 15109 1 883 . 1 1 77 77 GLY HA3 H 1 4.356 0.020 . 2 . . . . 77 GLY HA3 . 15109 1 884 . 1 1 77 77 GLY C C 13 174.340 0.400 . 1 . . . . 77 GLY C . 15109 1 885 . 1 1 77 77 GLY CA C 13 44.305 0.400 . 1 . . . . 77 GLY CA . 15109 1 886 . 1 1 77 77 GLY N N 15 105.633 0.400 . 1 . . . . 77 GLY N . 15109 1 887 . 1 1 78 78 PHE H H 1 8.851 0.020 . 1 . . . . 78 PHE H . 15109 1 888 . 1 1 78 78 PHE HA H 1 4.750 0.020 . 1 . . . . 78 PHE HA . 15109 1 889 . 1 1 78 78 PHE HB2 H 1 2.840 0.020 . 2 . . . . 78 PHE HB2 . 15109 1 890 . 1 1 78 78 PHE HB3 H 1 3.261 0.020 . 2 . . . . 78 PHE HB3 . 15109 1 891 . 1 1 78 78 PHE HD1 H 1 7.284 0.400 . 1 . . . . 78 PHE HD1 . 15109 1 892 . 1 1 78 78 PHE HD2 H 1 7.284 0.400 . 1 . . . . 78 PHE HD2 . 15109 1 893 . 1 1 78 78 PHE C C 13 176.331 0.400 . 1 . . . . 78 PHE C . 15109 1 894 . 1 1 78 78 PHE CA C 13 58.389 0.400 . 1 . . . . 78 PHE CA . 15109 1 895 . 1 1 78 78 PHE CB C 13 39.632 0.400 . 1 . . . . 78 PHE CB . 15109 1 896 . 1 1 78 78 PHE CD1 C 13 131.903 0.400 . 1 . . . . 78 PHE CD1 . 15109 1 897 . 1 1 78 78 PHE N N 15 120.928 0.400 . 1 . . . . 78 PHE N . 15109 1 898 . 1 1 79 79 GLU H H 1 8.859 0.020 . 1 . . . . 79 GLU H . 15109 1 899 . 1 1 79 79 GLU HA H 1 4.200 0.020 . 1 . . . . 79 GLU HA . 15109 1 900 . 1 1 79 79 GLU HB2 H 1 1.881 0.020 . 2 . . . . 79 GLU HB2 . 15109 1 901 . 1 1 79 79 GLU HB3 H 1 1.995 0.020 . 2 . . . . 79 GLU HB3 . 15109 1 902 . 1 1 79 79 GLU HG2 H 1 2.227 0.400 . 1 . . . . 79 GLU HG2 . 15109 1 903 . 1 1 79 79 GLU HG3 H 1 2.227 0.400 . 1 . . . . 79 GLU HG3 . 15109 1 904 . 1 1 79 79 GLU C C 13 176.594 0.400 . 1 . . . . 79 GLU C . 15109 1 905 . 1 1 79 79 GLU CA C 13 57.358 0.400 . 1 . . . . 79 GLU CA . 15109 1 906 . 1 1 79 79 GLU CB C 13 30.342 0.400 . 1 . . . . 79 GLU CB . 15109 1 907 . 1 1 79 79 GLU CG C 13 36.422 0.400 . 1 . . . . 79 GLU CG . 15109 1 908 . 1 1 79 79 GLU N N 15 122.781 0.400 . 1 . . . . 79 GLU N . 15109 1 909 . 1 1 80 80 GLU H H 1 8.614 0.020 . 1 . . . . 80 GLU H . 15109 1 910 . 1 1 80 80 GLU HA H 1 4.216 0.020 . 1 . . . . 80 GLU HA . 15109 1 911 . 1 1 80 80 GLU HB2 H 1 1.993 0.020 . 2 . . . . 80 GLU HB2 . 15109 1 912 . 1 1 80 80 GLU HB3 H 1 1.883 0.020 . 2 . . . . 80 GLU HB3 . 15109 1 913 . 1 1 80 80 GLU HG2 H 1 2.215 0.400 . 1 . . . . 80 GLU HG2 . 15109 1 914 . 1 1 80 80 GLU HG3 H 1 2.215 0.400 . 1 . . . . 80 GLU HG3 . 15109 1 915 . 1 1 80 80 GLU C C 13 176.047 0.400 . 1 . . . . 80 GLU C . 15109 1 916 . 1 1 80 80 GLU CA C 13 56.675 0.400 . 1 . . . . 80 GLU CA . 15109 1 917 . 1 1 80 80 GLU CB C 13 30.615 0.400 . 1 . . . . 80 GLU CB . 15109 1 918 . 1 1 80 80 GLU CG C 13 36.258 0.400 . 1 . . . . 80 GLU CG . 15109 1 919 . 1 1 80 80 GLU N N 15 121.237 0.400 . 1 . . . . 80 GLU N . 15109 1 920 . 1 1 81 81 ASP H H 1 8.392 0.020 . 1 . . . . 81 ASP H . 15109 1 921 . 1 1 81 81 ASP HA H 1 4.608 0.020 . 1 . . . . 81 ASP HA . 15109 1 922 . 1 1 81 81 ASP HB2 H 1 2.600 0.020 . 2 . . . . 81 ASP HB2 . 15109 1 923 . 1 1 81 81 ASP HB3 H 1 2.715 0.020 . 2 . . . . 81 ASP HB3 . 15109 1 924 . 1 1 81 81 ASP C C 13 176.200 0.400 . 1 . . . . 81 ASP C . 15109 1 925 . 1 1 81 81 ASP CA C 13 54.353 0.400 . 1 . . . . 81 ASP CA . 15109 1 926 . 1 1 81 81 ASP CB C 13 41.244 0.400 . 1 . . . . 81 ASP CB . 15109 1 927 . 1 1 81 81 ASP N N 15 121.767 0.400 . 1 . . . . 81 ASP N . 15109 1 928 . 1 1 82 82 ILE H H 1 8.029 0.020 . 1 . . . . 82 ILE H . 15109 1 929 . 1 1 82 82 ILE HA H 1 4.103 0.020 . 1 . . . . 82 ILE HA . 15109 1 930 . 1 1 82 82 ILE HB H 1 1.832 0.020 . 1 . . . . 82 ILE HB . 15109 1 931 . 1 1 82 82 ILE HG12 H 1 1.408 0.020 . 2 . . . . 82 ILE HG12 . 15109 1 932 . 1 1 82 82 ILE HG13 H 1 1.102 0.020 . 2 . . . . 82 ILE HG13 . 15109 1 933 . 1 1 82 82 ILE HG21 H 1 0.848 0.400 . 1 . . . . 82 ILE HG2 . 15109 1 934 . 1 1 82 82 ILE HG22 H 1 0.848 0.400 . 1 . . . . 82 ILE HG2 . 15109 1 935 . 1 1 82 82 ILE HG23 H 1 0.848 0.400 . 1 . . . . 82 ILE HG2 . 15109 1 936 . 1 1 82 82 ILE HD11 H 1 0.786 0.400 . 1 . . . . 82 ILE HD1 . 15109 1 937 . 1 1 82 82 ILE HD12 H 1 0.786 0.400 . 1 . . . . 82 ILE HD1 . 15109 1 938 . 1 1 82 82 ILE HD13 H 1 0.786 0.400 . 1 . . . . 82 ILE HD1 . 15109 1 939 . 1 1 82 82 ILE C C 13 176.440 0.400 . 1 . . . . 82 ILE C . 15109 1 940 . 1 1 82 82 ILE CA C 13 61.293 0.400 . 1 . . . . 82 ILE CA . 15109 1 941 . 1 1 82 82 ILE CB C 13 38.895 0.400 . 1 . . . . 82 ILE CB . 15109 1 942 . 1 1 82 82 ILE CG1 C 13 27.303 0.400 . 1 . . . . 82 ILE CG1 . 15109 1 943 . 1 1 82 82 ILE CG2 C 13 17.794 0.400 . 1 . . . . 82 ILE CG2 . 15109 1 944 . 1 1 82 82 ILE CD1 C 13 13.258 0.400 . 1 . . . . 82 ILE CD1 . 15109 1 945 . 1 1 82 82 ILE N N 15 121.346 0.400 . 1 . . . . 82 ILE N . 15109 1 946 . 1 1 83 83 GLU H H 1 8.450 0.020 . 1 . . . . 83 GLU H . 15109 1 947 . 1 1 83 83 GLU HA H 1 4.216 0.020 . 1 . . . . 83 GLU HA . 15109 1 948 . 1 1 83 83 GLU HB2 H 1 1.993 0.020 . 2 . . . . 83 GLU HB2 . 15109 1 949 . 1 1 83 83 GLU HB3 H 1 1.883 0.020 . 2 . . . . 83 GLU HB3 . 15109 1 950 . 1 1 83 83 GLU HG2 H 1 2.215 0.400 . 1 . . . . 83 GLU HG2 . 15109 1 951 . 1 1 83 83 GLU HG3 H 1 2.215 0.400 . 1 . . . . 83 GLU HG3 . 15109 1 952 . 1 1 83 83 GLU C C 13 176.156 0.400 . 1 . . . . 83 GLU C . 15109 1 953 . 1 1 83 83 GLU CA C 13 56.675 0.400 . 1 . . . . 83 GLU CA . 15109 1 954 . 1 1 83 83 GLU CB C 13 30.615 0.400 . 1 . . . . 83 GLU CB . 15109 1 955 . 1 1 83 83 GLU CG C 13 36.258 0.400 . 1 . . . . 83 GLU CG . 15109 1 956 . 1 1 83 83 GLU N N 15 124.859 0.400 . 1 . . . . 83 GLU N . 15109 1 957 . 1 1 84 84 ASP H H 1 8.306 0.020 . 1 . . . . 84 ASP H . 15109 1 958 . 1 1 84 84 ASP HA H 1 4.536 0.020 . 1 . . . . 84 ASP HA . 15109 1 959 . 1 1 84 84 ASP HB2 H 1 2.549 0.020 . 2 . . . . 84 ASP HB2 . 15109 1 960 . 1 1 84 84 ASP HB3 H 1 2.648 0.020 . 2 . . . . 84 ASP HB3 . 15109 1 961 . 1 1 84 84 ASP C C 13 176.047 0.400 . 1 . . . . 84 ASP C . 15109 1 962 . 1 1 84 84 ASP CA C 13 54.407 0.400 . 1 . . . . 84 ASP CA . 15109 1 963 . 1 1 84 84 ASP CB C 13 41.354 0.400 . 1 . . . . 84 ASP CB . 15109 1 964 . 1 1 84 84 ASP N N 15 121.536 0.400 . 1 . . . . 84 ASP N . 15109 1 965 . 1 1 85 85 MET H H 1 8.249 0.020 . 1 . . . . 85 MET H . 15109 1 966 . 1 1 85 85 MET HA H 1 4.421 0.020 . 1 . . . . 85 MET HA . 15109 1 967 . 1 1 85 85 MET HB2 H 1 1.965 0.020 . 2 . . . . 85 MET HB2 . 15109 1 968 . 1 1 85 85 MET HB3 H 1 2.030 0.020 . 2 . . . . 85 MET HB3 . 15109 1 969 . 1 1 85 85 MET HG2 H 1 2.531 0.020 . 2 . . . . 85 MET HG2 . 15109 1 970 . 1 1 85 85 MET HG3 H 1 2.463 0.020 . 2 . . . . 85 MET HG3 . 15109 1 971 . 1 1 85 85 MET C C 13 176.025 0.400 . 1 . . . . 85 MET C . 15109 1 972 . 1 1 85 85 MET CA C 13 55.528 0.400 . 1 . . . . 85 MET CA . 15109 1 973 . 1 1 85 85 MET CB C 13 32.965 0.400 . 1 . . . . 85 MET CB . 15109 1 974 . 1 1 85 85 MET CG C 13 32.050 0.400 . 1 . . . . 85 MET CG . 15109 1 975 . 1 1 85 85 MET N N 15 121.088 0.400 . 1 . . . . 85 MET N . 15109 1 976 . 1 1 86 86 VAL H H 1 8.146 0.020 . 1 . . . . 86 VAL H . 15109 1 977 . 1 1 86 86 VAL HA H 1 4.027 0.020 . 1 . . . . 86 VAL HA . 15109 1 978 . 1 1 86 86 VAL HB H 1 2.009 0.020 . 1 . . . . 86 VAL HB . 15109 1 979 . 1 1 86 86 VAL HG11 H 1 0.883 0.400 . 2 . . . . 86 VAL HG1 . 15109 1 980 . 1 1 86 86 VAL HG12 H 1 0.883 0.400 . 2 . . . . 86 VAL HG1 . 15109 1 981 . 1 1 86 86 VAL HG13 H 1 0.883 0.400 . 2 . . . . 86 VAL HG1 . 15109 1 982 . 1 1 86 86 VAL HG21 H 1 0.883 0.400 . 2 . . . . 86 VAL HG2 . 15109 1 983 . 1 1 86 86 VAL HG22 H 1 0.883 0.400 . 2 . . . . 86 VAL HG2 . 15109 1 984 . 1 1 86 86 VAL HG23 H 1 0.883 0.400 . 2 . . . . 86 VAL HG2 . 15109 1 985 . 1 1 86 86 VAL C C 13 176.156 0.400 . 1 . . . . 86 VAL C . 15109 1 986 . 1 1 86 86 VAL CA C 13 62.277 0.400 . 1 . . . . 86 VAL CA . 15109 1 987 . 1 1 86 86 VAL CB C 13 32.747 0.400 . 1 . . . . 86 VAL CB . 15109 1 988 . 1 1 86 86 VAL CG1 C 13 20.991 0.400 . 1 . . . . 86 VAL CG1 . 15109 1 989 . 1 1 86 86 VAL N N 15 122.019 0.400 . 1 . . . . 86 VAL N . 15109 1 990 . 1 1 87 87 GLU H H 1 8.503 0.020 . 1 . . . . 87 GLU H . 15109 1 991 . 1 1 87 87 GLU HA H 1 4.223 0.020 . 1 . . . . 87 GLU HA . 15109 1 992 . 1 1 87 87 GLU HB2 H 1 1.993 0.020 . 2 . . . . 87 GLU HB2 . 15109 1 993 . 1 1 87 87 GLU HB3 H 1 1.883 0.020 . 2 . . . . 87 GLU HB3 . 15109 1 994 . 1 1 87 87 GLU HG2 H 1 2.215 0.400 . 1 . . . . 87 GLU HG2 . 15109 1 995 . 1 1 87 87 GLU HG3 H 1 2.215 0.400 . 1 . . . . 87 GLU HG3 . 15109 1 996 . 1 1 87 87 GLU C C 13 176.156 0.400 . 1 . . . . 87 GLU C . 15109 1 997 . 1 1 87 87 GLU CA C 13 56.402 0.400 . 1 . . . . 87 GLU CA . 15109 1 998 . 1 1 87 87 GLU CB C 13 30.615 0.400 . 1 . . . . 87 GLU CB . 15109 1 999 . 1 1 87 87 GLU CG C 13 36.449 0.400 . 1 . . . . 87 GLU CG . 15109 1 1000 . 1 1 87 87 GLU N N 15 125.068 0.400 . 1 . . . . 87 GLU N . 15109 1 1001 . 1 1 88 88 ALA H H 1 8.335 0.020 . 1 . . . . 88 ALA H . 15109 1 1002 . 1 1 88 88 ALA HA H 1 4.250 0.020 . 1 . . . . 88 ALA HA . 15109 1 1003 . 1 1 88 88 ALA HB1 H 1 1.334 0.400 . 1 . . . . 88 ALA HB . 15109 1 1004 . 1 1 88 88 ALA HB2 H 1 1.334 0.400 . 1 . . . . 88 ALA HB . 15109 1 1005 . 1 1 88 88 ALA HB3 H 1 1.334 0.400 . 1 . . . . 88 ALA HB . 15109 1 1006 . 1 1 88 88 ALA C C 13 177.523 0.400 . 1 . . . . 88 ALA C . 15109 1 1007 . 1 1 88 88 ALA CA C 13 52.557 0.400 . 1 . . . . 88 ALA CA . 15109 1 1008 . 1 1 88 88 ALA CB C 13 19.392 0.400 . 1 . . . . 88 ALA CB . 15109 1 1009 . 1 1 88 88 ALA N N 15 125.400 0.400 . 1 . . . . 88 ALA N . 15109 1 1010 . 1 1 89 89 ASP H H 1 8.325 0.020 . 1 . . . . 89 ASP H . 15109 1 1011 . 1 1 89 89 ASP HA H 1 4.516 0.020 . 1 . . . . 89 ASP HA . 15109 1 1012 . 1 1 89 89 ASP HB2 H 1 2.621 0.400 . 1 . . . . 89 ASP HB2 . 15109 1 1013 . 1 1 89 89 ASP HB3 H 1 2.621 0.400 . 1 . . . . 89 ASP HB3 . 15109 1 1014 . 1 1 89 89 ASP C C 13 176.572 0.400 . 1 . . . . 89 ASP C . 15109 1 1015 . 1 1 89 89 ASP CA C 13 54.544 0.400 . 1 . . . . 89 ASP CA . 15109 1 1016 . 1 1 89 89 ASP CB C 13 41.299 0.400 . 1 . . . . 89 ASP CB . 15109 1 1017 . 1 1 89 89 ASP N N 15 119.879 0.400 . 1 . . . . 89 ASP N . 15109 1 1018 . 1 1 90 90 GLU H H 1 8.363 0.020 . 1 . . . . 90 GLU H . 15109 1 1019 . 1 1 90 90 GLU HA H 1 4.147 0.020 . 1 . . . . 90 GLU HA . 15109 1 1020 . 1 1 90 90 GLU HB2 H 1 1.847 0.400 . 1 . . . . 90 GLU HB2 . 15109 1 1021 . 1 1 90 90 GLU HB3 H 1 1.847 0.400 . 1 . . . . 90 GLU HB3 . 15109 1 1022 . 1 1 90 90 GLU HG2 H 1 2.032 0.020 . 2 . . . . 90 GLU HG2 . 15109 1 1023 . 1 1 90 90 GLU HG3 H 1 2.081 0.020 . 2 . . . . 90 GLU HG3 . 15109 1 1024 . 1 1 90 90 GLU C C 13 176.506 0.400 . 1 . . . . 90 GLU C . 15109 1 1025 . 1 1 90 90 GLU CA C 13 56.976 0.400 . 1 . . . . 90 GLU CA . 15109 1 1026 . 1 1 90 90 GLU CB C 13 30.178 0.400 . 1 . . . . 90 GLU CB . 15109 1 1027 . 1 1 90 90 GLU CG C 13 36.149 0.400 . 1 . . . . 90 GLU CG . 15109 1 1028 . 1 1 90 90 GLU N N 15 120.910 0.400 . 1 . . . . 90 GLU N . 15109 1 1029 . 1 1 91 91 TYR H H 1 8.233 0.020 . 1 . . . . 91 TYR H . 15109 1 1030 . 1 1 91 91 TYR HA H 1 4.473 0.020 . 1 . . . . 91 TYR HA . 15109 1 1031 . 1 1 91 91 TYR HB2 H 1 2.996 0.400 . 1 . . . . 91 TYR HB2 . 15109 1 1032 . 1 1 91 91 TYR HB3 H 1 2.996 0.400 . 1 . . . . 91 TYR HB3 . 15109 1 1033 . 1 1 91 91 TYR HD1 H 1 7.109 0.400 . 1 . . . . 91 TYR HD1 . 15109 1 1034 . 1 1 91 91 TYR HD2 H 1 7.109 0.400 . 1 . . . . 91 TYR HD2 . 15109 1 1035 . 1 1 91 91 TYR HE1 H 1 6.795 0.400 . 1 . . . . 91 TYR HE1 . 15109 1 1036 . 1 1 91 91 TYR HE2 H 1 6.795 0.400 . 1 . . . . 91 TYR HE2 . 15109 1 1037 . 1 1 91 91 TYR C C 13 176.112 0.400 . 1 . . . . 91 TYR C . 15109 1 1038 . 1 1 91 91 TYR CA C 13 58.424 0.400 . 1 . . . . 91 TYR CA . 15109 1 1039 . 1 1 91 91 TYR CB C 13 38.485 0.400 . 1 . . . . 91 TYR CB . 15109 1 1040 . 1 1 91 91 TYR CD1 C 13 133.300 0.400 . 1 . . . . 91 TYR CD1 . 15109 1 1041 . 1 1 91 91 TYR CE1 C 13 118.200 0.400 . 1 . . . . 91 TYR CE1 . 15109 1 1042 . 1 1 91 91 TYR N N 15 120.908 0.400 . 1 . . . . 91 TYR N . 15109 1 1043 . 1 1 92 92 GLN H H 1 8.248 0.020 . 1 . . . . 92 GLN H . 15109 1 1044 . 1 1 92 92 GLN HA H 1 4.191 0.020 . 1 . . . . 92 GLN HA . 15109 1 1045 . 1 1 92 92 GLN HB2 H 1 2.059 0.020 . 2 . . . . 92 GLN HB2 . 15109 1 1046 . 1 1 92 92 GLN HB3 H 1 1.881 0.020 . 2 . . . . 92 GLN HB3 . 15109 1 1047 . 1 1 92 92 GLN HG2 H 1 2.272 0.400 . 1 . . . . 92 GLN HG2 . 15109 1 1048 . 1 1 92 92 GLN HG3 H 1 2.272 0.400 . 1 . . . . 92 GLN HG3 . 15109 1 1049 . 1 1 92 92 GLN HE21 H 1 6.832 0.020 . 2 . . . . 92 GLN HE21 . 15109 1 1050 . 1 1 92 92 GLN HE22 H 1 7.510 0.020 . 2 . . . . 92 GLN HE22 . 15109 1 1051 . 1 1 92 92 GLN C C 13 176.265 0.400 . 1 . . . . 92 GLN C . 15109 1 1052 . 1 1 92 92 GLN CA C 13 55.924 0.400 . 1 . . . . 92 GLN CA . 15109 1 1053 . 1 1 92 92 GLN CB C 13 29.202 0.400 . 1 . . . . 92 GLN CB . 15109 1 1054 . 1 1 92 92 GLN CG C 13 33.662 0.400 . 1 . . . . 92 GLN CG . 15109 1 1055 . 1 1 92 92 GLN N N 15 122.312 0.400 . 1 . . . . 92 GLN N . 15109 1 1056 . 1 1 92 92 GLN NE2 N 15 112.700 0.400 . 1 . . . . 92 GLN NE2 . 15109 1 1057 . 1 1 93 93 GLY H H 1 7.818 0.020 . 1 . . . . 93 GLY H . 15109 1 1058 . 1 1 93 93 GLY HA2 H 1 3.830 0.400 . 1 . . . . 93 GLY HA2 . 15109 1 1059 . 1 1 93 93 GLY HA3 H 1 3.830 0.400 . 1 . . . . 93 GLY HA3 . 15109 1 1060 . 1 1 93 93 GLY C C 13 173.750 0.400 . 1 . . . . 93 GLY C . 15109 1 1061 . 1 1 93 93 GLY CA C 13 45.206 0.400 . 1 . . . . 93 GLY CA . 15109 1 1062 . 1 1 93 93 GLY N N 15 108.957 0.400 . 1 . . . . 93 GLY N . 15109 1 1063 . 1 1 94 94 ALA H H 1 8.091 0.020 . 1 . . . . 94 ALA H . 15109 1 1064 . 1 1 94 94 ALA HA H 1 4.293 0.020 . 1 . . . . 94 ALA HA . 15109 1 1065 . 1 1 94 94 ALA HB1 H 1 1.321 0.400 . 1 . . . . 94 ALA HB . 15109 1 1066 . 1 1 94 94 ALA HB2 H 1 1.321 0.400 . 1 . . . . 94 ALA HB . 15109 1 1067 . 1 1 94 94 ALA HB3 H 1 1.321 0.400 . 1 . . . . 94 ALA HB . 15109 1 1068 . 1 1 94 94 ALA C C 13 178.070 0.400 . 1 . . . . 94 ALA C . 15109 1 1069 . 1 1 94 94 ALA CA C 13 52.611 0.400 . 1 . . . . 94 ALA CA . 15109 1 1070 . 1 1 94 94 ALA CB C 13 19.174 0.400 . 1 . . . . 94 ALA CB . 15109 1 1071 . 1 1 94 94 ALA N N 15 123.638 0.400 . 1 . . . . 94 ALA N . 15109 1 1072 . 1 1 95 95 VAL H H 1 8.075 0.020 . 1 . . . . 95 VAL H . 15109 1 1073 . 1 1 95 95 VAL HA H 1 3.990 0.020 . 1 . . . . 95 VAL HA . 15109 1 1074 . 1 1 95 95 VAL HB H 1 2.030 0.020 . 1 . . . . 95 VAL HB . 15109 1 1075 . 1 1 95 95 VAL HG11 H 1 0.893 0.400 . 2 . . . . 95 VAL HG1 . 15109 1 1076 . 1 1 95 95 VAL HG12 H 1 0.893 0.400 . 2 . . . . 95 VAL HG1 . 15109 1 1077 . 1 1 95 95 VAL HG13 H 1 0.893 0.400 . 2 . . . . 95 VAL HG1 . 15109 1 1078 . 1 1 95 95 VAL HG21 H 1 0.893 0.400 . 2 . . . . 95 VAL HG2 . 15109 1 1079 . 1 1 95 95 VAL HG22 H 1 0.893 0.400 . 2 . . . . 95 VAL HG2 . 15109 1 1080 . 1 1 95 95 VAL HG23 H 1 0.893 0.400 . 2 . . . . 95 VAL HG2 . 15109 1 1081 . 1 1 95 95 VAL C C 13 176.353 0.400 . 1 . . . . 95 VAL C . 15109 1 1082 . 1 1 95 95 VAL CA C 13 62.687 0.400 . 1 . . . . 95 VAL CA . 15109 1 1083 . 1 1 95 95 VAL CB C 13 32.501 0.400 . 1 . . . . 95 VAL CB . 15109 1 1084 . 1 1 95 95 VAL CG1 C 13 20.991 0.400 . 1 . . . . 95 VAL CG1 . 15109 1 1085 . 1 1 95 95 VAL N N 15 119.438 0.400 . 1 . . . . 95 VAL N . 15109 1 1086 . 1 1 96 96 ALA H H 1 8.329 0.020 . 1 . . . . 96 ALA H . 15109 1 1087 . 1 1 96 96 ALA HA H 1 4.234 0.020 . 1 . . . . 96 ALA HA . 15109 1 1088 . 1 1 96 96 ALA HB1 H 1 1.336 0.400 . 1 . . . . 96 ALA HB . 15109 1 1089 . 1 1 96 96 ALA HB2 H 1 1.336 0.400 . 1 . . . . 96 ALA HB . 15109 1 1090 . 1 1 96 96 ALA HB3 H 1 1.336 0.400 . 1 . . . . 96 ALA HB . 15109 1 1091 . 1 1 96 96 ALA C C 13 177.906 0.400 . 1 . . . . 96 ALA C . 15109 1 1092 . 1 1 96 96 ALA CA C 13 52.816 0.400 . 1 . . . . 96 ALA CA . 15109 1 1093 . 1 1 96 96 ALA CB C 13 19.160 0.400 . 1 . . . . 96 ALA CB . 15109 1 1094 . 1 1 96 96 ALA N N 15 126.892 0.400 . 1 . . . . 96 ALA N . 15109 1 1095 . 1 1 97 97 SER H H 1 8.153 0.020 . 1 . . . . 97 SER H . 15109 1 1096 . 1 1 97 97 SER HA H 1 4.331 0.020 . 1 . . . . 97 SER HA . 15109 1 1097 . 1 1 97 97 SER HB2 H 1 3.831 0.400 . 1 . . . . 97 SER HB2 . 15109 1 1098 . 1 1 97 97 SER HB3 H 1 3.831 0.400 . 1 . . . . 97 SER HB3 . 15109 1 1099 . 1 1 97 97 SER C C 13 174.669 0.400 . 1 . . . . 97 SER C . 15109 1 1100 . 1 1 97 97 SER CA C 13 58.561 0.400 . 1 . . . . 97 SER CA . 15109 1 1101 . 1 1 97 97 SER CB C 13 63.616 0.400 . 1 . . . . 97 SER CB . 15109 1 1102 . 1 1 97 97 SER N N 15 114.421 0.400 . 1 . . . . 97 SER N . 15109 1 1103 . 1 1 98 98 ARG H H 1 8.212 0.020 . 1 . . . . 98 ARG H . 15109 1 1104 . 1 1 98 98 ARG HA H 1 4.302 0.020 . 1 . . . . 98 ARG HA . 15109 1 1105 . 1 1 98 98 ARG HB2 H 1 1.801 0.020 . 2 . . . . 98 ARG HB2 . 15109 1 1106 . 1 1 98 98 ARG HB3 H 1 1.716 0.020 . 2 . . . . 98 ARG HB3 . 15109 1 1107 . 1 1 98 98 ARG HG2 H 1 1.580 0.020 . 2 . . . . 98 ARG HG2 . 15109 1 1108 . 1 1 98 98 ARG HG3 H 1 1.521 0.020 . 2 . . . . 98 ARG HG3 . 15109 1 1109 . 1 1 98 98 ARG HD2 H 1 3.120 0.400 . 1 . . . . 98 ARG HD2 . 15109 1 1110 . 1 1 98 98 ARG HD3 H 1 3.120 0.400 . 1 . . . . 98 ARG HD3 . 15109 1 1111 . 1 1 98 98 ARG C C 13 176.244 0.400 . 1 . . . . 98 ARG C . 15109 1 1112 . 1 1 98 98 ARG CA C 13 56.375 0.400 . 1 . . . . 98 ARG CA . 15109 1 1113 . 1 1 98 98 ARG CB C 13 30.861 0.400 . 1 . . . . 98 ARG CB . 15109 1 1114 . 1 1 98 98 ARG CG C 13 27.111 0.400 . 1 . . . . 98 ARG CG . 15109 1 1115 . 1 1 98 98 ARG CD C 13 43.362 0.400 . 1 . . . . 98 ARG CD . 15109 1 1116 . 1 1 98 98 ARG N N 15 122.986 0.400 . 1 . . . . 98 ARG N . 15109 1 1117 . 1 1 99 99 VAL H H 1 8.119 0.020 . 1 . . . . 99 VAL H . 15109 1 1118 . 1 1 99 99 VAL HA H 1 4.010 0.020 . 1 . . . . 99 VAL HA . 15109 1 1119 . 1 1 99 99 VAL HB H 1 2.007 0.020 . 1 . . . . 99 VAL HB . 15109 1 1120 . 1 1 99 99 VAL HG11 H 1 0.881 0.400 . 2 . . . . 99 VAL HG1 . 15109 1 1121 . 1 1 99 99 VAL HG12 H 1 0.881 0.400 . 2 . . . . 99 VAL HG1 . 15109 1 1122 . 1 1 99 99 VAL HG13 H 1 0.881 0.400 . 2 . . . . 99 VAL HG1 . 15109 1 1123 . 1 1 99 99 VAL HG21 H 1 0.881 0.400 . 2 . . . . 99 VAL HG2 . 15109 1 1124 . 1 1 99 99 VAL HG22 H 1 0.881 0.400 . 2 . . . . 99 VAL HG2 . 15109 1 1125 . 1 1 99 99 VAL HG23 H 1 0.881 0.400 . 2 . . . . 99 VAL HG2 . 15109 1 1126 . 1 1 99 99 VAL C C 13 176.156 0.400 . 1 . . . . 99 VAL C . 15109 1 1127 . 1 1 99 99 VAL CA C 13 62.550 0.400 . 1 . . . . 99 VAL CA . 15109 1 1128 . 1 1 99 99 VAL CB C 13 32.473 0.400 . 1 . . . . 99 VAL CB . 15109 1 1129 . 1 1 99 99 VAL CG1 C 13 20.827 0.400 . 1 . . . . 99 VAL CG1 . 15109 1 1130 . 1 1 99 99 VAL N N 15 121.434 0.400 . 1 . . . . 99 VAL N . 15109 1 1131 . 1 1 100 100 LEU H H 1 8.287 0.020 . 1 . . . . 100 LEU H . 15109 1 1132 . 1 1 100 100 LEU HA H 1 4.303 0.020 . 1 . . . . 100 LEU HA . 15109 1 1133 . 1 1 100 100 LEU HB2 H 1 1.627 0.020 . 2 . . . . 100 LEU HB2 . 15109 1 1134 . 1 1 100 100 LEU HB3 H 1 1.543 0.020 . 2 . . . . 100 LEU HB3 . 15109 1 1135 . 1 1 100 100 LEU HG H 1 0.873 0.020 . 1 . . . . 100 LEU HG . 15109 1 1136 . 1 1 100 100 LEU HD11 H 1 0.811 0.400 . 2 . . . . 100 LEU HD1 . 15109 1 1137 . 1 1 100 100 LEU HD12 H 1 0.811 0.400 . 2 . . . . 100 LEU HD1 . 15109 1 1138 . 1 1 100 100 LEU HD13 H 1 0.811 0.400 . 2 . . . . 100 LEU HD1 . 15109 1 1139 . 1 1 100 100 LEU HD21 H 1 0.811 0.400 . 2 . . . . 100 LEU HD2 . 15109 1 1140 . 1 1 100 100 LEU HD22 H 1 0.811 0.400 . 2 . . . . 100 LEU HD2 . 15109 1 1141 . 1 1 100 100 LEU HD23 H 1 0.811 0.400 . 2 . . . . 100 LEU HD2 . 15109 1 1142 . 1 1 100 100 LEU CA C 13 55.323 0.400 . 1 . . . . 100 LEU CA . 15109 1 1143 . 1 1 100 100 LEU CB C 13 42.378 0.400 . 1 . . . . 100 LEU CB . 15109 1 1144 . 1 1 100 100 LEU CG C 13 24.844 0.400 . 1 . . . . 100 LEU CG . 15109 1 1145 . 1 1 100 100 LEU CD1 C 13 23.450 0.400 . 1 . . . . 100 LEU CD1 . 15109 1 1146 . 1 1 100 100 LEU N N 15 125.814 0.400 . 1 . . . . 100 LEU N . 15109 1 1147 . 1 1 101 101 GLY H H 1 8.388 0.020 . 1 . . . . 101 GLY H . 15109 1 1148 . 1 1 101 101 GLY HA2 H 1 3.881 0.400 . 1 . . . . 101 GLY HA2 . 15109 1 1149 . 1 1 101 101 GLY HA3 H 1 3.881 0.400 . 1 . . . . 101 GLY HA3 . 15109 1 1150 . 1 1 101 101 GLY C C 13 173.225 0.400 . 1 . . . . 101 GLY C . 15109 1 1151 . 1 1 101 101 GLY CA C 13 45.560 0.400 . 1 . . . . 101 GLY CA . 15109 1 1152 . 1 1 101 101 GLY N N 15 110.117 0.400 . 1 . . . . 101 GLY N . 15109 1 1153 . 1 1 102 102 ARG H H 1 7.771 0.020 . 1 . . . . 102 ARG H . 15109 1 1154 . 1 1 102 102 ARG HA H 1 4.150 0.020 . 1 . . . . 102 ARG HA . 15109 1 1155 . 1 1 102 102 ARG HB2 H 1 1.810 0.020 . 2 . . . . 102 ARG HB2 . 15109 1 1156 . 1 1 102 102 ARG HB3 H 1 1.652 0.020 . 2 . . . . 102 ARG HB3 . 15109 1 1157 . 1 1 102 102 ARG HG2 H 1 1.510 0.400 . 1 . . . . 102 ARG HG2 . 15109 1 1158 . 1 1 102 102 ARG HG3 H 1 1.510 0.400 . 1 . . . . 102 ARG HG3 . 15109 1 1159 . 1 1 102 102 ARG HD2 H 1 3.128 0.400 . 1 . . . . 102 ARG HD2 . 15109 1 1160 . 1 1 102 102 ARG HD3 H 1 3.128 0.400 . 1 . . . . 102 ARG HD3 . 15109 1 1161 . 1 1 102 102 ARG CA C 13 57.304 0.400 . 1 . . . . 102 ARG CA . 15109 1 1162 . 1 1 102 102 ARG CB C 13 31.435 0.400 . 1 . . . . 102 ARG CB . 15109 1 1163 . 1 1 102 102 ARG CG C 13 27.166 0.400 . 1 . . . . 102 ARG CG . 15109 1 1164 . 1 1 102 102 ARG CD C 13 43.526 0.400 . 1 . . . . 102 ARG CD . 15109 1 1165 . 1 1 102 102 ARG N N 15 125.374 0.400 . 1 . . . . 102 ARG N . 15109 1 1166 . 1 1 103 103 ALA HA H 1 4.250 0.020 . 1 . . . . 103 ALA HA . 15109 1 1167 . 1 1 103 103 ALA HB1 H 1 1.320 0.400 . 1 . . . . 103 ALA HB . 15109 1 1168 . 1 1 103 103 ALA HB2 H 1 1.320 0.400 . 1 . . . . 103 ALA HB . 15109 1 1169 . 1 1 103 103 ALA HB3 H 1 1.320 0.400 . 1 . . . . 103 ALA HB . 15109 1 1170 . 1 1 103 103 ALA C C 13 176.003 0.400 . 1 . . . . 103 ALA C . 15109 1 1171 . 1 1 103 103 ALA CA C 13 52.557 0.400 . 1 . . . . 103 ALA CA . 15109 1 1172 . 1 1 103 103 ALA CB C 13 19.172 0.400 . 1 . . . . 103 ALA CB . 15109 1 1173 . 1 1 104 104 LEU H H 1 7.895 0.020 . 1 . . . . 104 LEU H . 15109 1 1174 . 1 1 104 104 LEU HA H 1 4.460 0.020 . 1 . . . . 104 LEU HA . 15109 1 1175 . 1 1 104 104 LEU N N 15 121.704 0.400 . 1 . . . . 104 LEU N . 15109 1 1176 . 1 1 105 105 PRO HA H 1 4.275 0.020 . 1 . . . . 105 PRO HA . 15109 1 1177 . 1 1 105 105 PRO HB2 H 1 2.059 0.400 . 1 . . . . 105 PRO HB2 . 15109 1 1178 . 1 1 105 105 PRO HB3 H 1 2.059 0.400 . 1 . . . . 105 PRO HB3 . 15109 1 1179 . 1 1 105 105 PRO HG2 H 1 1.801 0.020 . 2 . . . . 105 PRO HG2 . 15109 1 1180 . 1 1 105 105 PRO HG3 H 1 1.842 0.020 . 2 . . . . 105 PRO HG3 . 15109 1 1181 . 1 1 105 105 PRO HD2 H 1 3.541 0.020 . 2 . . . . 105 PRO HD2 . 15109 1 1182 . 1 1 105 105 PRO HD3 H 1 3.391 0.020 . 2 . . . . 105 PRO HD3 . 15109 1 1183 . 1 1 105 105 PRO CA C 13 64.818 0.400 . 1 . . . . 105 PRO CA . 15109 1 1184 . 1 1 105 105 PRO CB C 13 34.413 0.400 . 1 . . . . 105 PRO CB . 15109 1 1185 . 1 1 105 105 PRO CG C 13 24.830 0.400 . 1 . . . . 105 PRO CG . 15109 1 1186 . 1 1 105 105 PRO CD C 13 50.125 0.400 . 1 . . . . 105 PRO CD . 15109 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 15109 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 9 _Spectral_peak_list.Experiment_name '3D (13C/15N) NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; 1408 29.891 2.010 1.998 173559136.0 1409 29.891 0.874 1.993 2308272.0 1410 29.891 2.226 1.998 44959156.0 1411 29.891 4.229 2.005 16255597.0 1412 29.891 1.894 1.996 103037288.0 1413 53.642 5.417 5.412 11078542.0 1414 53.642 2.630 5.414 2292524.0 1415 53.642 0.736 5.415 3506468.0 1416 53.642 5.742 5.411 5344617.0 1417 53.642 6.790 5.409 2068447.0 1418 53.642 1.570 5.415 4155835.0 1419 53.642 3.338 5.415 1876182.0 1420 53.642 1.734 5.415 3435106.0 1421 53.642 1.809 5.415 3251473.0 1422 53.642 2.185 5.412 3410482.0 1423 53.642 1.980 5.412 3017742.0 1424 53.711 2.159 3.378 2362407.0 1425 53.711 2.355 3.377 2983086.0 1426 53.711 2.847 3.381 4294880.0 1427 53.711 3.386 3.378 35495904.0 1428 53.711 4.736 3.378 2222668.0 1429 53.711 9.218 3.377 2007023.0 1430 53.711 1.050 3.378 20796172.0 1431 53.711 -0.194 3.377 2531515.0 1432 53.711 2.019 3.376 4984776.0 1433 30.138 1.854 1.838 203143152.0 1434 30.138 2.051 1.838 35331912.0 1435 30.151 1.748 1.992 8189726.0 1436 30.151 1.888 1.993 176181328.0 1437 30.151 1.993 1.995 272417792.0 1438 30.151 2.215 1.993 77354288.0 1439 30.151 0.874 1.995 3221035.0 1440 30.151 0.301 2.004 2120679.0 1441 30.151 4.221 1.996 25887764.0 1442 30.151 1.441 2.007 3793852.0 1443 30.138 4.154 1.838 7379216.0 1444 30.342 0.179 1.885 2247349.0 1445 30.342 1.075 1.881 2494214.0 1446 30.342 4.222 1.882 18108154.0 1447 30.151 0.867 1.877 5506593.0 1448 30.342 1.874 1.881 421108992.0 1449 30.151 1.997 1.879 175455408.0 1450 30.151 2.215 1.879 47011872.0 1451 30.342 1.423 1.885 2452208.0 1452 53.820 1.432 4.119 42241108.0 1453 53.820 4.625 4.119 2264569.0 1454 53.820 4.125 4.119 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27137064.0 1832 56.675 2.217 4.219 27099114.0 1833 56.675 4.219 4.217 679436992.0 1834 56.675 2.000 4.219 38329972.0 1835 56.675 8.300 4.216 9006291.0 1836 33.102 3.783 2.483 2286666.0 1837 33.102 5.027 2.428 3900277.0 1838 33.102 3.782 2.428 2319467.0 1839 33.102 5.024 2.481 4523421.0 1840 33.102 1.970 2.428 4398199.0 1841 33.102 2.461 2.476 49148228.0 1842 33.102 1.976 2.485 6811211.0 1843 33.102 2.461 2.432 45677796.0 1844 33.102 1.656 2.478 6753479.0 1845 33.102 1.645 2.430 6541366.0 1846 33.102 4.089 2.430 1288413.0 1847 33.102 4.096 2.482 1666628.0 1848 33.102 2.423 2.433 37493968.0 1849 33.102 2.417 2.477 38829800.0 1850 33.102 2.369 2.430 17780476.0 1851 33.102 2.369 2.477 17193706.0 1852 33.102 7.229 2.425 1072902.0 1853 33.102 7.236 2.482 1388055.0 1854 56.675 0.874 4.219 4757760.0 1855 56.785 2.132 4.110 21107562.0 1856 56.785 1.920 4.113 17795598.0 1857 56.785 4.633 4.629 85099824.0 1858 56.785 3.956 4.629 15723765.0 1859 56.785 4.055 4.628 17539830.0 1860 56.785 1.425 4.629 2369457.0 1861 56.785 1.396 4.110 3565330.0 1862 56.785 4.120 4.112 105841016.0 1863 56.921 1.115 3.916 9264599.0 1864 56.921 3.917 3.914 72413576.0 1865 56.921 1.792 3.915 14660943.0 1866 56.921 1.649 3.914 8523389.0 1867 56.921 -0.280 3.916 1857655.0 1868 56.976 1.847 4.148 17715242.0 1869 56.976 2.045 4.145 8851218.0 1870 56.976 4.140 4.148 712509120.0 1871 56.976 8.229 4.145 1565173.0 1872 56.976 0.871 4.145 2481356.0 1873 33.539 2.635 1.927 2270882.0 1874 33.539 2.727 2.540 2050553.0 1875 33.539 2.536 2.542 8112394.0 1876 33.539 1.751 2.542 2600618.0 1877 33.539 1.403 2.540 2592790.0 1878 33.539 1.662 2.540 1503238.0 1879 33.539 4.126 2.540 1313860.0 1880 33.539 4.126 1.404 1217630.0 1881 33.539 1.755 1.407 2505676.0 1882 33.539 1.659 1.404 2224155.0 1883 33.539 1.400 1.409 4293773.0 1884 33.539 2.546 1.404 2146704.0 1885 33.539 2.731 1.401 1457146.0 1886 33.539 1.973 1.401 2618650.0 1887 33.662 3.041 2.275 2473980.0 1888 33.662 2.802 2.275 2629272.0 1889 33.662 2.284 2.270 897076672.0 1890 33.662 2.475 2.273 4799775.0 1891 33.662 2.079 2.268 73360416.0 1892 33.662 1.891 2.268 17898594.0 1893 33.662 4.205 2.265 5797502.0 1894 33.662 4.485 2.273 2441062.0 1895 33.662 2.400 2.268 10758916.0 1896 57.304 4.150 4.153 683609280.0 1897 57.304 1.673 4.150 3774751.0 1898 57.304 1.816 4.153 10027073.0 1899 33.730 1.403 1.399 4926752.0 1900 33.730 5.752 1.929 3082580.0 1901 33.539 5.751 2.094 2337961.0 1902 33.730 2.618 1.937 3127516.0 1903 33.730 1.929 1.937 14446264.0 1904 33.730 2.086 1.937 8536405.0 1905 33.730 0.761 1.937 1736438.0 1906 33.539 2.618 2.094 3027605.0 1907 33.539 2.086 2.091 9185518.0 1908 33.539 1.929 2.091 7740375.0 1909 33.539 2.222 2.091 4345049.0 1910 33.730 3.696 1.387 1957235.0 1911 33.730 2.311 1.393 2837436.0 1912 33.894 3.690 2.316 1643971.0 1913 33.894 1.396 2.321 2350319.0 1914 57.358 4.205 4.189 146229200.0 1915 57.358 8.589 4.182 6689817.0 1916 57.358 1.432 4.194 2226665.0 1917 57.358 0.797 4.192 3672846.0 1918 57.358 1.985 4.189 21111262.0 1919 57.358 2.231 4.185 17341362.0 1920 33.812 2.154 2.346 2875026.0 1921 33.812 2.342 2.344 17016124.0 1922 33.812 2.836 2.355 2173134.0 1923 33.812 2.008 2.352 4381693.0 1924 33.812 2.843 2.845 2661882.0 1925 33.812 2.031 2.837 3528606.0 1926 33.812 -0.198 2.828 2067921.0 1927 33.812 3.393 2.359 1264527.0 1928 33.812 3.393 2.835 1762324.0 1929 33.812 4.751 2.359 1280708.0 1930 33.812 4.751 2.848 1289053.0 1931 33.812 2.369 2.843 1252778.0 1932 33.812 2.178 2.840 1934819.0 1933 33.812 -0.204 2.357 1808594.0 1934 33.840 2.387 2.030 2281566.0 1935 33.840 4.747 2.029 2206906.0 1936 33.840 2.840 2.032 2653823.0 1937 33.840 -0.204 2.026 2984024.0 1938 33.840 2.028 2.032 31891974.0 1939 33.840 3.393 2.032 2135902.0 1940 57.440 4.731 4.732 27961428.0 1941 57.440 3.686 4.732 12243587.0 1942 33.897 3.703 1.576 1317501.0 1943 33.894 1.423 2.321 2290198.0 1944 33.894 3.253 2.319 2110605.0 1945 33.897 1.574 1.563 2082952.0 1946 33.897 1.417 1.562 1091818.0 1947 57.577 5.473 4.073 2635278.0 1948 57.577 1.060 4.073 2587386.0 1949 57.577 4.089 4.077 8709974.0 1950 57.577 2.417 4.080 1606715.0 1951 57.577 2.806 4.082 829745.0 1952 34.031 1.874 1.867 40503592.0 1953 34.031 2.038 1.867 12892387.0 1954 34.031 2.819 1.865 2510552.0 1955 34.031 4.761 1.869 5232184.0 1956 34.031 5.147 1.868 1485049.0 1957 57.768 8.734 3.299 2049835.0 1958 57.768 6.918 3.293 1581616.0 1959 34.195 3.260 3.239 6462323.0 1960 57.768 6.062 3.296 1447919.0 1961 57.768 7.208 3.293 1273656.0 1962 57.768 1.360 3.295 6667918.0 1963 57.768 1.635 3.299 11778567.0 1964 57.768 1.731 3.299 10583073.0 1965 57.768 3.301 3.293 30794034.0 1966 34.195 4.468 3.239 1597975.0 1967 34.195 2.318 2.316 8936075.0 1968 34.195 1.403 3.244 1948074.0 1969 34.195 1.758 3.241 2142450.0 1970 34.168 2.580 2.149 6638388.0 1971 34.168 4.700 2.145 5240334.0 1972 34.168 2.147 2.147 19756320.0 1973 34.168 1.997 2.152 16336779.0 1974 34.168 1.594 1.976 2578951.0 1975 34.168 2.147 1.992 17218150.0 1976 34.168 2.591 1.992 5603138.0 1977 34.168 2.004 2.002 27731136.0 1978 34.168 4.703 1.996 5348722.0 1979 34.168 2.546 2.149 5576868.0 1980 34.195 2.315 3.244 2884718.0 1981 34.195 3.256 2.316 2099362.0 1982 34.195 4.464 2.316 1099764.0 1983 57.823 3.700 3.695 14453833.0 1984 57.823 2.336 3.698 3232272.0 1985 57.823 1.565 3.693 3653962.0 1986 57.823 7.297 3.686 2818698.0 1987 57.823 1.935 3.697 2719044.0 1988 57.823 1.403 3.695 2510092.0 1989 58.014 2.847 4.197 1214554.0 1990 58.014 2.737 4.200 1475579.0 1991 58.014 4.200 4.190 29140882.0 1992 58.014 1.971 4.190 3383368.0 1993 34.413 2.075 2.265 8582088.0 1994 34.413 2.273 2.266 105208192.0 1995 58.028 3.545 4.463 7374571.0 1996 58.028 4.473 4.465 264280688.0 1997 58.028 1.700 4.463 6423354.0 1998 58.028 6.584 4.464 3482516.0 1999 58.028 3.089 4.464 7206947.0 2000 58.028 6.829 4.462 4166120.0 2001 58.028 7.178 4.459 7047602.0 2002 58.028 8.693 4.459 2188278.0 2003 34.433 4.526 2.055 2871554.0 2004 34.433 2.744 2.063 2897270.0 2005 34.433 2.058 2.060 61528072.0 2006 34.433 1.830 2.051 4228859.0 2007 34.433 2.260 2.059 4621090.0 2008 34.441 2.058 2.724 3063614.0 2009 34.441 4.521 2.726 2380119.0 2010 34.441 2.737 2.737 3542754.0 2011 58.096 3.804 4.431 28593692.0 2012 58.096 2.562 4.451 4521332.0 2013 58.096 2.173 4.442 3664844.0 2014 58.096 4.437 4.441 268994944.0 2015 58.096 2.853 4.451 7338281.0 2016 58.096 7.167 4.440 7105987.0 2017 58.178 4.115 4.110 15167537.0 2018 58.178 3.628 4.109 2215436.0 2019 58.178 3.372 4.111 2299977.0 2020 58.178 1.881 4.110 3453836.0 2021 58.178 0.913 4.110 10834998.0 2022 58.178 7.788 4.101 941177.0 2023 58.178 4.301 4.110 6546690.0 2024 58.260 5.295 5.291 16526106.0 2025 58.260 0.313 5.291 4290770.0 2026 58.260 0.729 5.292 12400634.0 2027 58.260 2.033 5.291 7288884.0 2028 58.260 3.860 5.292 3215729.0 2029 58.260 1.452 5.295 6433105.0 2030 58.260 4.556 5.294 1384787.0 2031 58.260 0.912 5.292 2383991.0 2032 58.260 5.130 5.289 1718610.0 2033 58.274 2.521 2.520 17041076.0 2034 58.274 1.022 2.521 4194614.0 2035 58.274 0.657 2.525 5023582.0 2036 58.274 -0.121 2.523 4277401.0 2037 58.274 7.618 2.531 1047229.0 2038 58.274 7.215 2.531 1469406.0 2039 58.274 6.539 2.531 1224326.0 2040 58.424 8.232 4.473 2818765.0 2041 34.796 1.997 1.795 12721246.0 2042 34.796 1.582 1.986 10387505.0 2043 34.796 4.744 1.788 4303762.0 2044 34.796 3.280 1.788 3034164.0 2045 34.796 1.587 1.795 13543577.0 2046 34.796 1.799 1.795 16475137.0 2047 34.796 4.737 1.986 7035516.0 2048 34.796 2.577 1.995 2427000.0 2049 34.796 2.147 1.995 7058915.0 2050 34.796 1.990 1.995 26584908.0 2051 34.796 1.800 1.985 13817860.0 2052 58.397 3.806 4.430 23023900.0 2053 58.397 3.601 3.598 22307754.0 2054 34.796 3.280 1.987 3024216.0 2055 34.796 3.205 1.989 3139461.0 2056 34.796 3.205 1.787 2010056.0 2057 34.796 1.007 1.796 1311820.0 2058 34.796 1.007 1.987 1439138.0 2059 34.796 4.086 1.787 1364776.0 2060 34.796 4.092 1.987 1020556.0 2061 58.397 -0.204 3.599 7811812.0 2062 58.397 -0.280 3.599 9833753.0 2063 58.397 1.700 3.599 2662132.0 2064 58.397 0.717 3.594 1274151.0 2065 58.397 8.089 3.591 1409440.0 2066 58.424 4.463 4.460 309377728.0 2067 58.424 2.999 4.467 25643060.0 2068 58.424 7.106 4.473 9636811.0 2069 58.561 4.340 4.334 460867648.0 2070 58.561 3.823 4.332 23342318.0 2071 58.561 0.867 4.333 1866104.0 2072 35.015 5.427 1.734 934880.0 2073 35.015 5.434 1.816 1201696.0 2074 35.015 1.823 1.813 15910017.0 2075 35.015 1.741 1.734 3918417.0 2076 35.015 1.570 1.734 4464540.0 2077 35.015 1.570 1.813 11825704.0 2078 35.015 3.331 1.734 1504872.0 2079 35.015 3.324 1.813 2999135.0 2080 35.015 0.724 1.734 1842662.0 2081 35.015 0.724 1.813 1675348.0 2082 35.015 1.802 1.734 4098547.0 2083 58.656 2.121 3.951 21512618.0 2084 58.656 2.412 3.950 12898751.0 2085 58.656 3.954 3.950 59568304.0 2086 35.069 1.877 1.865 44419252.0 2087 35.069 4.109 1.871 2355192.0 2088 35.069 0.929 1.868 20328238.0 2089 35.069 0.881 1.871 19451742.0 2090 58.656 4.181 3.950 1964790.0 2091 58.656 7.137 3.947 2846990.0 2092 58.766 7.150 4.535 3096927.0 2093 58.766 1.268 4.536 9303581.0 2094 58.766 0.889 4.538 5061801.0 2095 58.766 2.297 4.535 6771432.0 2096 58.766 4.543 4.537 19108422.0 2097 35.179 0.338 0.975 2952714.0 2098 35.179 0.969 0.963 3687544.0 2099 35.179 0.367 0.359 3448758.0 2100 35.179 0.974 0.350 4068927.0 2101 35.179 3.728 0.349 2128028.0 2102 35.179 3.714 0.975 1542281.0 2103 35.179 3.461 0.975 1300840.0 2104 35.179 3.468 0.350 1434480.0 2105 35.179 1.284 0.347 1700329.0 2106 35.179 1.284 0.967 1993614.0 2107 35.179 -1.228 0.364 1878607.0 2108 35.179 1.065 0.964 2301204.0 2109 35.179 1.065 0.353 2394699.0 2110 35.629 1.113 1.649 3930525.0 2111 35.629 3.294 1.345 3755324.0 2112 35.629 1.355 1.353 12845350.0 2113 35.629 7.143 1.338 2045278.0 2114 35.629 7.150 1.647 1286263.0 2115 35.629 6.918 1.644 1774720.0 2116 35.629 3.301 1.630 3501428.0 2117 35.629 1.355 1.628 7512439.0 2118 35.629 1.635 1.622 11076534.0 2119 35.629 1.724 1.625 13448557.0 2120 35.629 1.635 1.352 13245913.0 2121 35.629 1.724 1.352 10746076.0 2122 59.299 6.806 4.167 1774896.0 2123 59.299 4.164 4.161 25825286.0 2124 59.299 1.316 4.161 2408515.0 2125 59.299 1.062 4.163 3180542.0 2126 59.299 0.314 4.163 2081364.0 2127 59.299 -1.278 4.163 5846010.0 2128 59.299 0.485 4.164 7317110.0 2129 35.944 7.188 1.676 2181569.0 2130 35.957 -0.273 1.663 3260427.0 2131 35.944 3.611 1.691 1159905.0 2132 35.944 1.686 1.693 17962454.0 2133 35.944 0.710 1.696 2326192.0 2134 35.944 -0.211 1.699 4602926.0 2135 35.944 -0.280 1.701 3977748.0 2136 35.944 0.212 1.696 1546742.0 2137 35.957 3.919 1.661 5188336.0 2138 35.957 1.113 1.816 6611204.0 2139 35.957 1.669 1.823 23298526.0 2140 35.957 1.819 1.821 35961992.0 2141 35.957 3.922 1.821 3758149.0 2142 35.957 1.666 1.662 45725800.0 2143 35.957 1.113 1.662 6086800.0 2144 35.957 -0.273 1.820 2795548.0 2145 35.957 1.813 1.659 29822124.0 2146 35.957 7.195 1.824 1276371.0 2147 35.957 6.901 1.822 1545843.0 2148 35.957 6.901 1.674 1536354.0 2149 59.585 4.207 4.199 104313832.0 2150 59.585 1.007 4.198 1876048.0 2151 59.585 3.942 4.200 30116096.0 2152 59.585 2.106 4.213 2819078.0 2153 59.585 8.031 4.188 1924254.0 2154 36.012 1.265 2.294 5800156.0 2155 36.012 0.894 2.295 6085780.0 2156 36.012 4.536 2.297 4757196.0 2157 36.149 2.055 2.087 201790400.0 2158 36.149 4.150 2.087 2423513.0 2159 36.149 2.874 2.036 2357134.0 2160 36.149 4.153 2.037 2600454.0 2161 36.149 2.871 2.089 1676152.0 2162 36.149 2.051 2.037 194510016.0 2163 36.149 1.860 2.037 45163092.0 2164 36.149 1.860 2.086 39049040.0 2165 59.790 4.200 4.194 99306736.0 2166 59.790 3.944 4.197 26071532.0 2167 59.790 2.121 4.204 2906778.0 2168 59.790 3.814 4.186 17539208.0 2169 36.217 4.538 2.354 3537851.0 2170 36.217 0.724 2.355 4287582.0 2171 36.217 2.352 1.957 8179174.0 2172 36.217 0.724 1.963 4248962.0 2173 36.217 1.580 1.957 2469152.0 2174 36.217 4.549 1.954 2327372.0 2175 36.217 2.355 2.354 18493010.0 2176 36.217 1.966 2.354 10043287.0 2177 36.217 1.966 1.955 13844077.0 2178 36.258 4.215 2.222 26916008.0 2179 36.258 2.004 2.222 144530944.0 2180 36.258 2.219 2.222 1124689920.0 2181 36.258 1.898 2.223 56054720.0 2182 60.077 6.604 3.198 1256173.0 2183 36.422 4.215 2.225 29611250.0 2184 36.422 2.229 2.225 1178380928.0 2185 36.422 1.997 2.227 153646720.0 2186 36.422 1.898 2.228 58499936.0 2187 60.077 7.367 3.190 2023307.0 2188 60.077 1.237 3.189 2348688.0 2189 60.077 0.739 3.190 3222321.0 2190 60.077 1.620 3.193 2006423.0 2191 60.077 0.995 3.191 2187635.0 2192 60.077 3.195 3.198 11880572.0 2193 60.077 2.925 3.198 1770905.0 2194 60.077 6.843 3.189 1837054.0 2195 36.490 0.294 1.068 1610343.0 2196 36.490 0.492 1.070 3615977.0 2197 36.490 -1.276 1.072 4960668.0 2198 36.490 1.065 1.068 7909540.0 2199 36.490 4.171 1.065 1286348.0 2200 36.599 0.314 2.031 3694500.0 2201 36.599 5.297 2.026 2867950.0 2202 36.599 0.720 2.029 5294854.0 2203 36.599 2.058 2.032 79024784.0 2204 36.599 4.758 2.031 3386590.0 2205 36.613 2.403 2.398 79020360.0 2206 36.613 2.127 2.400 24901444.0 2207 36.613 3.956 2.396 8423870.0 2208 36.613 7.150 2.418 1969304.0 2209 36.613 4.413 2.399 2401331.0 2210 60.309 2.799 5.461 1499923.0 2211 60.309 2.410 5.458 1897530.0 2212 60.309 6.901 5.464 2413668.0 2213 60.309 7.188 5.464 1983496.0 2214 60.309 8.853 5.464 1179089.0 2215 60.309 4.084 5.465 9129419.0 2216 60.309 5.469 5.465 14033472.0 2217 60.309 1.072 5.464 10189371.0 2218 60.309 3.722 5.464 4787120.0 2219 60.337 1.284 4.557 1352083.0 2220 60.337 -0.266 4.555 1347763.0 2221 60.337 3.754 4.560 1344782.0 2222 60.337 6.935 4.560 1844262.0 2223 60.337 8.130 4.563 2004244.0 2224 60.337 7.199 4.560 8828587.0 2225 60.337 4.564 4.559 25015664.0 2226 60.337 3.353 4.560 4420132.0 2227 60.337 2.970 4.562 3741422.0 2228 60.378 0.555 4.042 2563216.0 2229 60.378 -0.815 4.036 4058468.0 2230 60.378 0.973 4.038 2967523.0 2231 60.378 1.717 4.038 2968560.0 2232 60.378 3.362 4.038 4699244.0 2233 60.378 4.046 4.036 15832793.0 2234 60.378 0.294 4.036 1141608.0 2235 60.378 7.181 4.039 2669178.0 2236 36.845 0.314 2.026 4734682.0 2237 36.845 0.724 2.024 6210586.0 2238 36.845 5.133 2.029 2420730.0 2239 36.845 3.700 2.029 2272278.0 2240 36.845 4.765 2.032 3765830.0 2241 36.845 5.297 2.027 3693992.0 2242 36.845 2.043 2.036 44913548.0 2243 36.845 1.874 2.035 29007754.0 2244 36.873 5.140 1.854 1464223.0 2245 36.873 3.700 1.857 1562510.0 2246 36.873 2.826 1.860 1654136.0 2247 36.845 2.833 2.032 1996470.0 2248 36.845 0.915 2.032 3283644.0 2249 36.845 0.526 2.037 2550488.0 2250 13.258 0.016 0.793 7669398.0 2251 13.258 -0.182 0.786 10584970.0 2252 13.258 0.306 0.793 7130590.0 2253 13.258 -0.592 0.789 5859842.0 2254 13.258 1.842 0.786 14505572.0 2255 13.258 1.377 0.789 13738049.0 2256 13.258 1.067 0.788 12014222.0 2257 13.258 0.794 0.791 906849600.0 2258 13.258 2.191 0.783 4348413.0 2259 13.258 4.116 0.790 5109332.0 2260 13.258 4.198 0.790 4565430.0 2261 13.258 7.980 0.790 1850273.0 2262 36.873 1.864 1.859 25695480.0 2263 36.873 2.031 1.858 11370380.0 2264 36.873 4.765 1.860 2160742.0 2265 60.665 6.840 4.120 7229180.0 2266 60.665 2.807 4.119 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57.304 1.320 4.150 887571.0 4245 57.358 4.216 4.200 133407312.0 4246 57.490 3.539 3.560 2067900.0 4247 57.577 -1.287 4.072 69048.0 4248 57.577 4.441 4.072 1585935.0 4249 57.768 4.441 3.297 1874739.0 4250 57.823 3.682 3.694 12976591.0 4251 57.823 1.861 3.694 1926728.0 4252 58.014 6.802 4.209 1469444.0 4253 58.014 4.131 4.209 4952982.0 4254 58.014 4.162 4.209 12833618.0 4255 58.028 4.037 4.465 2097868.0 4256 58.096 3.297 4.441 2466988.0 4257 58.178 4.082 4.111 12775416.0 4258 58.178 2.360 4.111 797894.0 4259 58.260 1.738 5.292 1164269.0 4260 58.260 2.134 5.292 1307543.0 4261 58.260 1.585 5.292 1293600.0 4262 58.274 2.665 2.515 2052406.0 4263 58.397 0.216 3.600 871650.0 4264 58.424 1.847 4.473 1275106.0 4265 58.561 4.302 4.331 330976736.0 4266 58.656 4.441 3.951 1287217.0 4267 58.656 3.928 3.951 41548628.0 4268 58.766 1.480 4.535 1411347.0 4269 58.766 2.745 4.535 1155929.0 4270 58.766 2.825 4.535 731820.0 4271 59.299 2.790 4.162 1292074.0 4272 59.299 2.398 4.162 915051.0 4273 59.790 3.202 4.189 1603813.0 4274 60.077 3.199 3.202 11880572.0 4275 60.309 4.162 5.465 1775071.0 4276 60.309 3.280 5.465 1250075.0 4277 60.309 3.340 5.465 913489.0 4278 60.337 5.448 4.564 1022426.0 4279 60.378 3.539 4.037 1084031.0 4280 60.378 7.024 4.037 1057647.0 4281 60.471 0.369 5.476 892069.0 4282 60.665 3.577 4.108 1516392.0 4283 60.811 1.702 4.111 1337255.0 4284 61.266 3.563 3.442 801322.0 4285 61.266 7.362 3.459 925583.0 4286 61.402 4.465 4.304 1878238.0 4287 62.277 4.223 4.027 4198798.0 4288 62.533 -0.210 3.889 916517.0 4289 62.632 2.638 3.901 1249594.0 4290 62.766 1.350 3.972 1656690.0 4291 63.479 2.011 3.852 2002597.0 4292 63.916 3.881 3.828 131614856.0 4293 64.585 5.049 3.921 1086351.0 4294 64.613 3.682 3.914 1245476.0 4295 64.763 4.584 3.532 843615.0 4296 64.763 4.584 3.676 1207149.0 4297 65.351 4.304 4.513 1532331.0 4298 65.351 2.825 4.513 1629518.0 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 C . 3521.7 . . . 15109 1 2 H 1 H . 6202.51 . . . 15109 1 3 H 1 HC . 4862.29 . . . 15109 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 15109 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 9 _Spectral_peak_list.Experiment_name '3D (13C/15N) NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; 3 105.511 4.168 7.721 262655.0 4 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1346 120.908 1.868 8.234 209610.0 1347 120.908 8.251 8.249 9870816.0 1348 120.910 8.325 8.363 1868783.0 1349 120.928 8.859 8.851 1189156.0 1350 121.088 8.306 8.249 1252957.0 1351 121.502 2.856 8.165 124432.0 1352 121.502 1.821 8.165 464292.0 1353 121.502 -0.286 8.165 595458.0 1354 121.502 8.089 8.165 1172552.0 1355 121.502 8.722 8.165 246124.0 1356 121.536 8.249 8.306 1394905.0 1357 121.642 8.025 8.622 195932.0 1358 121.772 4.159 8.876 407113.0 1359 121.772 8.487 8.854 141821.0 1360 122.156 8.486 8.150 204189.0 1361 122.239 7.659 7.963 153903.0 1362 122.312 8.233 8.248 305386.0 1363 122.585 8.091 8.581 122030.0 1364 122.781 8.851 8.859 3483079.0 1365 123.044 9.363 9.470 220182.0 1366 123.044 0.790 9.468 495200.0 1367 123.129 8.485 8.027 133730.0 1368 123.129 0.681 8.043 166857.0 1369 123.129 3.503 8.021 261899.0 1370 123.388 4.388 9.021 895876.0 1371 123.388 6.995 9.021 144771.0 1372 123.388 3.917 9.028 194976.0 1373 123.443 8.681 8.745 1159495.0 1374 123.443 8.173 8.761 109941.0 1375 123.443 6.910 8.751 128256.0 1376 123.466 7.314 8.197 191576.0 1377 123.638 3.846 8.102 115436.0 1378 123.751 1.561 7.803 202114.0 1379 123.751 2.319 7.803 440564.0 1380 123.751 4.115 7.819 118914.0 1381 124.216 2.811 8.121 469144.0 1382 124.216 4.001 8.110 191114.0 1383 124.342 8.745 8.681 1286578.0 1384 124.349 8.681 8.089 122599.0 1385 124.349 8.165 8.089 839331.0 1386 125.000 0.729 8.346 154950.0 1387 125.000 3.312 8.354 325202.0 1388 125.068 8.161 8.495 219027.0 1389 125.306 2.959 8.466 129220.0 1390 125.386 1.525 7.739 151308.0 1391 125.391 5.500 8.470 125191.0 1392 125.400 8.325 8.335 5877726.0 1393 125.400 2.236 8.339 116189.0 1394 125.814 0.875 8.298 123381.0 1395 126.302 2.669 9.021 184834.0 1396 126.374 9.450 9.391 514478.0 1397 127.091 0.454 9.353 104179.0 1398 127.091 9.464 9.356 192224.0 1399 127.091 0.874 9.346 335328.0 1400 128.243 2.739 9.892 170551.0 1401 128.414 7.373 8.062 144493.0 1402 128.631 1.552 8.574 410922.0 1403 129.002 7.895 8.826 145658.0 1404 129.395 0.891 7.389 194516.0 1405 129.418 4.555 7.385 135654.0 1406 131.363 4.388 7.769 153320.0 1407 131.396 8.607 7.767 138354.0 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 N 15 N . 1419.34 . . . 15109 2 2 H 1 H . 6202.51 . . . 15109 2 3 H 1 HN . 2509.79 . . . 15109 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 15109 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name '3D 13C_aromatic NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; 4299 113.575 -1.282 7.050 648681.0 4300 113.584 7.079 7.078 2897432.0 4301 113.584 6.803 7.078 1236522.0 4302 113.584 2.216 7.079 616233.0 4303 113.584 1.293 7.083 1184430.0 4304 113.584 1.084 7.083 556876.0 4305 113.584 0.907 7.083 1076701.0 4306 113.584 0.514 7.073 627721.0 4307 113.610 8.360 7.067 548137.0 4308 113.803 7.168 7.167 7352444.0 4309 113.803 6.680 7.167 1270764.0 4310 114.906 7.267 7.582 1929010.0 4311 114.906 7.585 7.584 5269356.0 4312 114.906 10.494 7.580 987404.0 4313 117.564 1.764 6.408 527095.0 4314 117.564 6.419 6.418 2188064.0 4315 118.189 7.223 6.922 5597924.0 4316 118.189 6.922 6.922 13245914.0 4317 118.189 1.706 6.924 1319368.0 4318 118.189 1.829 6.924 918655.0 4319 118.189 1.286 6.924 676496.0 4320 118.189 6.098 6.924 579349.0 4321 118.189 6.805 6.924 1422578.0 4322 118.299 3.004 6.799 505286.0 4323 118.338 7.110 6.792 22348066.0 4324 118.338 6.796 6.794 108301024.0 4325 118.448 8.066 6.855 607794.0 4326 118.461 3.244 6.845 659801.0 4327 118.461 4.148 6.845 613105.0 4328 118.461 0.983 6.842 850661.0 4329 118.461 0.764 6.843 1165366.0 4330 118.461 0.463 6.843 970100.0 4331 118.667 2.844 6.843 1007122.0 4332 118.667 3.079 6.854 597337.0 4333 118.667 1.695 6.838 602159.0 4334 118.667 4.481 6.852 584829.0 4335 118.667 7.089 6.845 1217326.0 4336 118.680 3.578 6.852 596142.0 4337 118.680 6.610 6.847 1399767.0 4338 118.680 6.843 6.847 22724434.0 4339 118.706 1.289 7.141 863746.0 4340 118.706 2.202 7.139 695004.0 4341 118.733 4.769 7.146 870680.0 4342 118.733 4.557 7.144 823530.0 4343 118.733 6.922 7.143 1144162.0 4344 118.733 7.151 7.144 16103635.0 4345 118.820 7.202 7.142 8967956.0 4346 120.664 3.387 7.180 529786.0 4347 120.664 1.032 7.178 757629.0 4348 120.664 7.191 7.190 1395952.0 4349 121.303 3.250 7.312 583513.0 4350 121.303 7.307 7.305 1445120.0 4351 121.303 6.808 7.305 803620.0 4352 122.500 6.576 6.580 1316889.0 4353 122.900 7.188 7.190 1391858.0 4354 122.900 6.692 7.189 649651.0 4355 123.969 7.178 6.669 767345.0 4356 123.969 6.685 6.671 2086852.0 4357 125.164 6.805 6.804 3319128.0 4358 125.164 7.075 6.804 688824.0 4359 125.164 0.926 6.806 1236313.0 4360 125.164 2.396 6.814 620202.0 4361 125.226 4.286 7.255 591280.0 4362 125.326 7.578 7.257 1444532.0 4363 125.326 7.257 7.257 3460096.0 4364 125.326 6.587 7.261 707916.0 4365 125.326 1.788 7.264 727866.0 4366 127.655 7.199 7.201 10127871.0 4367 127.655 10.019 7.199 709308.0 4368 127.655 8.156 7.202 1203977.0 4369 127.655 4.608 7.197 750742.0 4370 127.655 4.769 7.201 730121.0 4371 127.655 2.814 7.189 774044.0 4372 127.655 2.752 7.213 584539.0 4373 128.303 7.517 7.510 4168331.0 4374 128.303 10.504 7.525 846782.0 4375 129.153 1.074 7.206 570821.0 4376 129.153 2.985 7.213 880717.0 4377 129.153 3.268 7.213 728737.0 4378 129.153 3.350 7.202 885334.0 4379 129.153 5.456 7.213 595659.0 4380 129.153 7.213 7.211 4058061.0 4381 129.153 8.351 7.211 983769.0 4382 129.848 3.312 7.213 849826.0 4383 129.848 2.997 7.211 635388.0 4384 129.848 1.077 7.219 551173.0 4385 129.848 7.205 7.209 4528309.0 4386 129.848 8.353 7.209 800398.0 4387 129.848 7.765 7.211 732255.0 4388 131.377 7.759 6.910 468853.0 4389 131.377 7.167 6.917 1287252.0 4390 131.377 6.911 6.919 3759277.0 4391 131.377 1.053 6.908 554079.0 4392 131.377 7.171 7.175 3274340.0 4393 131.377 6.914 7.182 1246410.0 4394 131.386 3.548 6.908 452324.0 4395 131.700 6.824 6.820 961671.0 4396 131.819 7.369 7.066 618392.0 4397 131.819 7.072 7.064 1566417.0 4398 131.907 7.304 7.300 4465089.0 4399 132.060 7.359 7.365 3939600.0 4400 132.060 7.072 7.368 568743.0 4401 133.015 6.839 6.614 1357770.0 4402 133.015 6.617 6.614 2441919.0 4403 133.015 4.484 6.613 648503.0 4404 133.015 3.575 6.604 883177.0 4405 133.015 3.517 6.618 623046.0 4406 133.015 3.076 6.618 495675.0 4407 133.015 2.932 6.599 759386.0 4408 133.015 2.885 6.597 737613.0 4409 133.286 1.777 7.192 1026954.0 4410 133.286 2.191 7.189 908417.0 4411 133.286 1.282 7.192 909075.0 4412 133.286 2.560 7.190 788101.0 4413 133.286 2.854 7.197 799756.0 4414 133.286 4.467 7.202 801747.0 4415 133.286 4.553 7.199 679891.0 4416 133.286 7.202 7.194 14058418.0 4417 133.286 6.938 7.194 1419247.0 4418 133.286 7.137 7.194 6937662.0 4419 133.417 4.779 6.840 817028.0 4420 133.417 4.137 6.838 1046938.0 4421 133.417 7.110 7.110 89348824.0 4422 133.417 6.796 7.110 21368482.0 4423 133.417 6.847 6.845 17568968.0 4424 133.417 4.492 7.110 821386.0 4425 133.417 3.012 7.108 2232128.0 4426 133.417 0.454 6.852 771784.0 4427 133.417 0.711 6.857 688700.0 4428 133.417 2.837 6.847 1250950.0 4429 133.417 3.090 6.850 1026681.0 4430 133.417 8.053 6.838 562285.0 4431 133.417 1.746 6.850 486181.0 4432 133.417 3.561 6.842 495802.0 4433 133.619 1.716 7.209 846661.0 4434 134.056 4.587 7.233 867810.0 4435 134.056 8.176 7.228 736582.0 4436 134.131 3.347 7.231 988306.0 4437 134.131 2.991 7.230 1253627.0 4438 134.131 1.278 7.233 1263544.0 4439 134.131 -0.229 7.231 950387.0 4440 134.275 7.223 7.226 13099687.0 4441 134.275 6.922 7.226 4938274.0 4442 138.159 7.909 7.906 53998580.0 4443 138.465 7.813 7.814 22760168.0 4444 138.465 4.344 7.812 1085740.0 4445 138.465 4.785 7.814 2042818.0 4446 138.465 0.960 7.818 4749128.0 4447 138.510 7.411 7.419 19398906.0 4448 138.510 3.282 7.419 1061730.0 4449 138.510 2.332 7.419 1060208.0 4450 138.510 7.411 7.419 19398906.0 4451 138.510 1.774 7.418 1459370.0 4452 138.510 4.776 7.419 2136179.0 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 C . 3522.1 . . . 15109 3 2 H 1 H . 7002.8 . . . 15109 3 3 H 1 HC . 6202.5 . . . 15109 3 stop_ save_