data_16246 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16246 _Entry.Title ; Resonance Assignments for Yeast Prp24-RRM2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-07 _Entry.Accession_date 2009-04-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Stephen Martin-Tumasz . A. . 16246 2 Nicholas Reiter . J. . 16246 3 Samuel Butcher . E. . 16246 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 . 'not applicable' 'not applicable' . 16246 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein/RNA . 16246 RRM . 16246 snRNP . 16246 Splicing . 16246 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16246 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 257 16246 '15N chemical shifts' 83 16246 '1H chemical shifts' 522 16246 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 3 . . 2009-11-19 2009-04-07 update author 'add entry author' 16246 2 . . 2009-11-13 2009-04-07 update BMRB 'complete entry citation' 16246 1 . . 2009-09-04 2009-04-07 original author 'original release' 16246 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7070 'RRMs 1 and 2 of Prp24 from S. cerevisiae' 16246 PDB 2KH9 'BMRB Entry Tracking System' 16246 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16246 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19693704 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N resonance assignments of a ribonucleoprotein complex consisting of Prp24-RRM2 bound to a fragment of U6 RNA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 2 _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 227 _Citation.Page_last 230 _Citation.Year 2009 _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 Stephen Martin-Tumasz . . . 16246 1 2 Samuel Butcher . E. . 16246 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16246 _Assembly.ID 1 _Assembly.Name Prp24-RRM2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10012.586 _Assembly.Enzyme_commission_number . _Assembly.Details 'Prp24-RRM2 in isolation' _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 Prp24-RRM2 1 $Prp24-RRM2 A . yes native no yes . . . 16246 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Prp24-RRM2 _Entity.Sf_category entity _Entity.Sf_framecode Prp24-RRM2 _Entity.Entry_ID 16246 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Prp24-RRM2 _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 ; MTECTLWMTNFPPSYTQRNI RDLLQDINVVALSIRLPSLR FNTSRRFAYIDVTSKEDARY CVEKLNGLKIEGYTLVTKVS NPLELEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Final 8 residues are non-native due to 6x His tag' _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10012.586 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16230 . Prp24-RRM2 . . . . . 100.00 92 100.00 100.00 2.47e-61 . . . . 16246 1 2 no BMRB 16243 . Prp24-RRM23 . . . . . 91.30 186 100.00 100.00 1.05e-53 . . . . 16246 1 3 no BMRB 16244 . Prp24-RRM23 . . . . . 91.30 186 100.00 100.00 1.05e-53 . . . . 16246 1 4 no PDB 2GHP . "Crystal Structure Of The N-Terminal 3 Rna Binding Domains Of The Yeast Splicing Factor Prp24" . . . . . 91.30 292 97.62 98.81 3.23e-51 . . . . 16246 1 5 no PDB 2GO9 . "Rrm Domains 1 And 2 Of Prp24 From S. Cerevisiae" . . . . . 91.30 161 98.81 100.00 2.83e-53 . . . . 16246 1 6 no PDB 2KH9 . "Solution Structure Of Yeast Prp24-Rrm2 Bound To A Fragment Of U6 Rna" . . . . . 100.00 92 100.00 100.00 2.47e-61 . . . . 16246 1 7 no PDB 4N0T . "Core Structure Of The U6 Small Nuclear Ribonucleoprotein At 1.7 Angstrom Resolution" . . . . . 91.30 374 98.81 100.00 2.48e-51 . . . . 16246 1 8 no DBJ GAA25719 . "K7_Prp24p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 91.30 444 98.81 100.00 6.98e-51 . . . . 16246 1 9 no EMBL CAA89251 . "U6sNRPp [Saccharomyces cerevisiae]" . . . . . 91.30 444 98.81 100.00 5.72e-51 . . . . 16246 1 10 no EMBL CAY82100 . "Prp24p [Saccharomyces cerevisiae EC1118]" . . . . . 91.30 444 98.81 100.00 5.72e-51 . . . . 16246 1 11 no GB AAU09775 . "YMR268C [Saccharomyces cerevisiae]" . . . . . 90.22 444 98.80 100.00 3.18e-50 . . . . 16246 1 12 no GB AHY76723 . "Prp24p [Saccharomyces cerevisiae YJM993]" . . . . . 91.30 444 98.81 100.00 5.72e-51 . . . . 16246 1 13 no GB AJP40962 . "Prp24p [Saccharomyces cerevisiae YJM1078]" . . . . . 91.30 444 98.81 100.00 5.66e-51 . . . . 16246 1 14 no GB AJS62134 . "Prp24p [Saccharomyces cerevisiae YJM189]" . . . . . 91.30 444 98.81 100.00 5.72e-51 . . . . 16246 1 15 no GB AJS62569 . "Prp24p [Saccharomyces cerevisiae YJM193]" . . . . . 91.30 444 98.81 100.00 5.96e-51 . . . . 16246 1 16 no REF NP_013995 . "U6 snRNP complex subunit PRP24 [Saccharomyces cerevisiae S288c]" . . . . . 91.30 444 98.81 100.00 5.72e-51 . . . . 16246 1 17 no SP P49960 . "RecName: Full=U4/U6 snRNA-associated-splicing factor PRP24; Short=U4/U6 snRNP protein" . . . . . 91.30 444 98.81 100.00 5.72e-51 . . . . 16246 1 18 no TPG DAA10168 . "TPA: U6 snRNP complex subunit PRP24 [Saccharomyces cerevisiae S288c]" . . . . . 91.30 444 98.81 100.00 5.72e-51 . . . . 16246 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16246 1 2 . THR . 16246 1 3 . GLU . 16246 1 4 . CYS . 16246 1 5 . THR . 16246 1 6 . LEU . 16246 1 7 . TRP . 16246 1 8 . MET . 16246 1 9 . THR . 16246 1 10 . ASN . 16246 1 11 . PHE . 16246 1 12 . PRO . 16246 1 13 . PRO . 16246 1 14 . SER . 16246 1 15 . TYR . 16246 1 16 . THR . 16246 1 17 . GLN . 16246 1 18 . ARG . 16246 1 19 . ASN . 16246 1 20 . ILE . 16246 1 21 . ARG . 16246 1 22 . ASP . 16246 1 23 . LEU . 16246 1 24 . LEU . 16246 1 25 . GLN . 16246 1 26 . ASP . 16246 1 27 . ILE . 16246 1 28 . ASN . 16246 1 29 . VAL . 16246 1 30 . VAL . 16246 1 31 . ALA . 16246 1 32 . LEU . 16246 1 33 . SER . 16246 1 34 . ILE . 16246 1 35 . ARG . 16246 1 36 . LEU . 16246 1 37 . PRO . 16246 1 38 . SER . 16246 1 39 . LEU . 16246 1 40 . ARG . 16246 1 41 . PHE . 16246 1 42 . ASN . 16246 1 43 . THR . 16246 1 44 . SER . 16246 1 45 . ARG . 16246 1 46 . ARG . 16246 1 47 . PHE . 16246 1 48 . ALA . 16246 1 49 . TYR . 16246 1 50 . ILE . 16246 1 51 . ASP . 16246 1 52 . VAL . 16246 1 53 . THR . 16246 1 54 . SER . 16246 1 55 . LYS . 16246 1 56 . GLU . 16246 1 57 . ASP . 16246 1 58 . ALA . 16246 1 59 . ARG . 16246 1 60 . TYR . 16246 1 61 . CYS . 16246 1 62 . VAL . 16246 1 63 . GLU . 16246 1 64 . LYS . 16246 1 65 . LEU . 16246 1 66 . ASN . 16246 1 67 . GLY . 16246 1 68 . LEU . 16246 1 69 . LYS . 16246 1 70 . ILE . 16246 1 71 . GLU . 16246 1 72 . GLY . 16246 1 73 . TYR . 16246 1 74 . THR . 16246 1 75 . LEU . 16246 1 76 . VAL . 16246 1 77 . THR . 16246 1 78 . LYS . 16246 1 79 . VAL . 16246 1 80 . SER . 16246 1 81 . ASN . 16246 1 82 . PRO . 16246 1 83 . LEU . 16246 1 84 . GLU . 16246 1 85 . LEU . 16246 1 86 . GLU . 16246 1 87 . HIS . 16246 1 88 . HIS . 16246 1 89 . HIS . 16246 1 90 . HIS . 16246 1 91 . HIS . 16246 1 92 . HIS . 16246 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16246 1 . THR 2 2 16246 1 . GLU 3 3 16246 1 . CYS 4 4 16246 1 . THR 5 5 16246 1 . LEU 6 6 16246 1 . TRP 7 7 16246 1 . MET 8 8 16246 1 . THR 9 9 16246 1 . ASN 10 10 16246 1 . PHE 11 11 16246 1 . PRO 12 12 16246 1 . PRO 13 13 16246 1 . SER 14 14 16246 1 . TYR 15 15 16246 1 . THR 16 16 16246 1 . GLN 17 17 16246 1 . ARG 18 18 16246 1 . ASN 19 19 16246 1 . ILE 20 20 16246 1 . ARG 21 21 16246 1 . ASP 22 22 16246 1 . LEU 23 23 16246 1 . LEU 24 24 16246 1 . GLN 25 25 16246 1 . ASP 26 26 16246 1 . ILE 27 27 16246 1 . ASN 28 28 16246 1 . VAL 29 29 16246 1 . VAL 30 30 16246 1 . ALA 31 31 16246 1 . LEU 32 32 16246 1 . SER 33 33 16246 1 . ILE 34 34 16246 1 . ARG 35 35 16246 1 . LEU 36 36 16246 1 . PRO 37 37 16246 1 . SER 38 38 16246 1 . LEU 39 39 16246 1 . ARG 40 40 16246 1 . PHE 41 41 16246 1 . ASN 42 42 16246 1 . THR 43 43 16246 1 . SER 44 44 16246 1 . ARG 45 45 16246 1 . ARG 46 46 16246 1 . PHE 47 47 16246 1 . ALA 48 48 16246 1 . TYR 49 49 16246 1 . ILE 50 50 16246 1 . ASP 51 51 16246 1 . VAL 52 52 16246 1 . THR 53 53 16246 1 . SER 54 54 16246 1 . LYS 55 55 16246 1 . GLU 56 56 16246 1 . ASP 57 57 16246 1 . ALA 58 58 16246 1 . ARG 59 59 16246 1 . TYR 60 60 16246 1 . CYS 61 61 16246 1 . VAL 62 62 16246 1 . GLU 63 63 16246 1 . LYS 64 64 16246 1 . LEU 65 65 16246 1 . ASN 66 66 16246 1 . GLY 67 67 16246 1 . LEU 68 68 16246 1 . LYS 69 69 16246 1 . ILE 70 70 16246 1 . GLU 71 71 16246 1 . GLY 72 72 16246 1 . TYR 73 73 16246 1 . THR 74 74 16246 1 . LEU 75 75 16246 1 . VAL 76 76 16246 1 . THR 77 77 16246 1 . LYS 78 78 16246 1 . VAL 79 79 16246 1 . SER 80 80 16246 1 . ASN 81 81 16246 1 . PRO 82 82 16246 1 . LEU 83 83 16246 1 . GLU 84 84 16246 1 . LEU 85 85 16246 1 . GLU 86 86 16246 1 . HIS 87 87 16246 1 . HIS 88 88 16246 1 . HIS 89 89 16246 1 . HIS 90 90 16246 1 . HIS 91 91 16246 1 . HIS 92 92 16246 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 16246 _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 $Prp24-RRM2 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 16246 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 16246 _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 $Prp24-RRM2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET21-b . . . . . . 16246 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Fully_Labeled _Sample.Sf_category sample _Sample.Sf_framecode Fully_Labeled _Sample.Entry_ID 16246 _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 Prp24-RRM2 '[U-99% 13C; U-99% 15N]' . . 1 $Prp24-RRM2 . . 500 . . mM . . . . 16246 1 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 16246 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16246 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16246 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16246 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16246 1 stop_ save_ save_Referencing _Sample.Sf_category sample _Sample.Sf_framecode Referencing _Sample.Entry_ID 16246 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Prp24-RRM2 '[U-99% 13C; U-99% 15N]' . . 1 $Prp24-RRM2 . . 500 . . uM . . . . 16246 2 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 16246 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16246 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16246 2 5 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 16246 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16246 _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' 50 . mM 16246 1 pH 7 . pH 16246 1 pressure 1 . atm 16246 1 temperature 298.15 . K 16246 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16246 _Software.ID 1 _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' . . 16246 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16246 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16246 _Software.ID 2 _Software.Name NMRDraw _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' . . 16246 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16246 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16246 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16246 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16246 3 'peak picking' 16246 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_600 _NMR_spectrometer.Entry_ID 16246 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16246 _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_600 Varian INOVA . 600 . . . 16246 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 16246 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Fully_Labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16246 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Fully_Labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16246 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $Fully_Labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16246 1 4 '3D HNCO' no . . . . . . . . . . 1 $Fully_Labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16246 1 5 '3D HNCACB' no . . . . . . . . . . 1 $Fully_Labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16246 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $Fully_Labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16246 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $Fully_Labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16246 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $Fully_Labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16246 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 16246 _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 . . . . . . . . . 16246 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16246 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16246 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 16246 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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' . . . 16246 1 2 '3D CBCA(CO)NH' . . . 16246 1 3 '3D C(CO)NH' . . . 16246 1 4 '3D HNCO' . . . 16246 1 5 '3D HNCACB' . . . 16246 1 6 '3D HBHA(CO)NH' . . . 16246 1 7 '3D HCCH-TOCSY' . . . 16246 1 8 '3D H(CCO)NH' . . . 16246 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 3 $SPARKY . . 16246 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR H H 1 8.599 0.02 . 1 . . . . 115 T HN . 16246 1 2 . 1 1 2 2 THR HA H 1 4.423 0.02 . 1 . . . . 115 T HA . 16246 1 3 . 1 1 2 2 THR HB H 1 4.303 0.02 . 1 . . . . 115 T HB . 16246 1 4 . 1 1 2 2 THR HG21 H 1 1.246 0.02 . 1 . . . . 115 T HG . 16246 1 5 . 1 1 2 2 THR HG22 H 1 1.246 0.02 . 1 . . . . 115 T HG . 16246 1 6 . 1 1 2 2 THR HG23 H 1 1.246 0.02 . 1 . . . . 115 T HG . 16246 1 7 . 1 1 2 2 THR CA C 13 62.009 0.4 . 1 . . . . 115 T CA . 16246 1 8 . 1 1 2 2 THR CB C 13 70.133 0.4 . 1 . . . . 115 T CB . 16246 1 9 . 1 1 2 2 THR CG2 C 13 21.832 0.4 . 1 . . . . 115 T CG . 16246 1 10 . 1 1 2 2 THR N N 15 129.171 0.4 . 1 . . . . 115 T N . 16246 1 11 . 1 1 3 3 GLU H H 1 8.682 0.02 . 1 . . . . 116 E HN . 16246 1 12 . 1 1 3 3 GLU HA H 1 4.283 0.02 . 1 . . . . 116 E HA . 16246 1 13 . 1 1 3 3 GLU HB2 H 1 2.175 0.02 . 2 . . . . 116 E HB2 . 16246 1 14 . 1 1 3 3 GLU HB3 H 1 2.077 0.02 . 2 . . . . 116 E HB3 . 16246 1 15 . 1 1 3 3 GLU HG2 H 1 2.277 0.02 . 2 . . . . 116 E HG . 16246 1 16 . 1 1 3 3 GLU HG3 H 1 2.277 0.02 . 2 . . . . 116 E HG . 16246 1 17 . 1 1 3 3 GLU CA C 13 57.715 0.4 . 1 . . . . 116 E CA . 16246 1 18 . 1 1 3 3 GLU CB C 13 29.598 0.4 . 1 . . . . 116 E CB . 16246 1 19 . 1 1 3 3 GLU CG C 13 37.017 0.4 . 1 . . . . 116 E CG . 16246 1 20 . 1 1 3 3 GLU N N 15 120.636 0.4 . 1 . . . . 116 E N . 16246 1 21 . 1 1 4 4 CYS H H 1 7.998 0.02 . 1 . . . . 117 C HN . 16246 1 22 . 1 1 4 4 CYS HA H 1 4.156 0.02 . 1 . . . . 117 C HA . 16246 1 23 . 1 1 4 4 CYS HB2 H 1 2.908 0.02 . 2 . . . . 117 C HB2 . 16246 1 24 . 1 1 4 4 CYS HB3 H 1 2.702 0.02 . 2 . . . . 117 C HB3 . 16246 1 25 . 1 1 4 4 CYS CA C 13 58.072 0.4 . 1 . . . . 117 C CA . 16246 1 26 . 1 1 4 4 CYS CB C 13 29.275 0.4 . 1 . . . . 117 C CB . 16246 1 27 . 1 1 4 4 CYS N N 15 115.751 0.4 . 1 . . . . 117 C N . 16246 1 28 . 1 1 5 5 THR H H 1 8.326 0.02 . 1 . . . . 118 T HN . 16246 1 29 . 1 1 5 5 THR HA H 1 5.526 0.02 . 1 . . . . 118 T HA . 16246 1 30 . 1 1 5 5 THR HB H 1 3.913 0.02 . 1 . . . . 118 T HB . 16246 1 31 . 1 1 5 5 THR HG21 H 1 1.442 0.02 . 1 . . . . 118 T HG . 16246 1 32 . 1 1 5 5 THR HG22 H 1 1.442 0.02 . 1 . . . . 118 T HG . 16246 1 33 . 1 1 5 5 THR HG23 H 1 1.442 0.02 . 1 . . . . 118 T HG . 16246 1 34 . 1 1 5 5 THR CA C 13 62.24 0.4 . 1 . . . . 118 T CA . 16246 1 35 . 1 1 5 5 THR CB C 13 71.491 0.4 . 1 . . . . 118 T CB . 16246 1 36 . 1 1 5 5 THR CG2 C 13 22.535 0.4 . 1 . . . . 118 T CG . 16246 1 37 . 1 1 5 5 THR N N 15 119.693 0.4 . 1 . . . . 118 T N . 16246 1 38 . 1 1 6 6 LEU H H 1 9.92 0.02 . 1 . . . . 119 L HN . 16246 1 39 . 1 1 6 6 LEU HA H 1 5.107 0.02 . 1 . . . . 119 L HA . 16246 1 40 . 1 1 6 6 LEU HB2 H 1 1.834 0.02 . 2 . . . . 119 L HB1 . 16246 1 41 . 1 1 6 6 LEU HB3 H 1 1.464 0.02 . 2 . . . . 119 L HB2 . 16246 1 42 . 1 1 6 6 LEU HD11 H 1 0.884 0.02 . 2 . . . . 119 L HD1 . 16246 1 43 . 1 1 6 6 LEU HD12 H 1 0.884 0.02 . 2 . . . . 119 L HD1 . 16246 1 44 . 1 1 6 6 LEU HD13 H 1 0.884 0.02 . 2 . . . . 119 L HD1 . 16246 1 45 . 1 1 6 6 LEU HD21 H 1 0.846 0.02 . 2 . . . . 119 L HD2 . 16246 1 46 . 1 1 6 6 LEU HD22 H 1 0.846 0.02 . 2 . . . . 119 L HD2 . 16246 1 47 . 1 1 6 6 LEU HD23 H 1 0.846 0.02 . 2 . . . . 119 L HD2 . 16246 1 48 . 1 1 6 6 LEU HG H 1 1.635 0.02 . 1 . . . . 119 L HG . 16246 1 49 . 1 1 6 6 LEU CA C 13 53.36 0.4 . 1 . . . . 119 L CA . 16246 1 50 . 1 1 6 6 LEU CB C 13 45.241 0.4 . 1 . . . . 119 L CB . 16246 1 51 . 1 1 6 6 LEU CD1 C 13 26.761 0.4 . 2 . . . . 119 L CD1 . 16246 1 52 . 1 1 6 6 LEU CD2 C 13 26.761 0.4 . 2 . . . . 119 L CD2 . 16246 1 53 . 1 1 6 6 LEU N N 15 126.652 0.4 . 1 . . . . 119 L N . 16246 1 54 . 1 1 7 7 TRP H H 1 9.265 0.02 . 1 . . . . 120 W HN . 16246 1 55 . 1 1 7 7 TRP HE1 H 1 9.275 0.02 . 1 . . . . 120 W HE1 . 16246 1 56 . 1 1 7 7 TRP CA C 13 55.374 0.4 . 1 . . . . 120 W CA . 16246 1 57 . 1 1 7 7 TRP CB C 13 32.798 0.4 . 1 . . . . 120 W CB . 16246 1 58 . 1 1 7 7 TRP N N 15 121.573 0.4 . 1 . . . . 120 W N . 16246 1 59 . 1 1 8 8 MET H H 1 8.812 0.02 . 1 . . . . 121 M HN . 16246 1 60 . 1 1 8 8 MET HA H 1 5.387 0.02 . 1 . . . . 121 M HA . 16246 1 61 . 1 1 8 8 MET HB2 H 1 1.78 0.02 . 2 . . . . 121 M HB . 16246 1 62 . 1 1 8 8 MET HB3 H 1 1.78 0.02 . 2 . . . . 121 M HB . 16246 1 63 . 1 1 8 8 MET HG2 H 1 2.365 0.02 . 2 . . . . 121 M HG1 . 16246 1 64 . 1 1 8 8 MET HG3 H 1 2.438 0.02 . 2 . . . . 121 M HG2 . 16246 1 65 . 1 1 8 8 MET CA C 13 53.451 0.4 . 1 . . . . 121 M CA . 16246 1 66 . 1 1 8 8 MET CB C 13 38.99 0.4 . 1 . . . . 121 M CB . 16246 1 67 . 1 1 8 8 MET CG C 13 31.568 0.4 . 1 . . . . 121 M CG . 16246 1 68 . 1 1 8 8 MET N N 15 123.086 0.4 . 1 . . . . 121 M N . 16246 1 69 . 1 1 9 9 THR H H 1 8.825 0.02 . 1 . . . . 122 T HN . 16246 1 70 . 1 1 9 9 THR HA H 1 4.335 0.02 . 1 . . . . 122 T HA . 16246 1 71 . 1 1 9 9 THR HB H 1 3.205 0.02 . 1 . . . . 122 T HB . 16246 1 72 . 1 1 9 9 THR HG21 H 1 0.727 0.02 . 1 . . . . 122 T HG . 16246 1 73 . 1 1 9 9 THR HG22 H 1 0.727 0.02 . 1 . . . . 122 T HG . 16246 1 74 . 1 1 9 9 THR HG23 H 1 0.727 0.02 . 1 . . . . 122 T HG . 16246 1 75 . 1 1 9 9 THR CA C 13 60.208 0.4 . 1 . . . . 122 T CA . 16246 1 76 . 1 1 9 9 THR CB C 13 69.878 0.4 . 1 . . . . 122 T CB . 16246 1 77 . 1 1 9 9 THR CG2 C 13 18.91 0.4 . 1 . . . . 122 T CG . 16246 1 78 . 1 1 9 9 THR N N 15 116.238 0.4 . 1 . . . . 122 T N . 16246 1 79 . 1 1 10 10 ASN H H 1 8.066 0.02 . 1 . . . . 123 N HN . 16246 1 80 . 1 1 10 10 ASN HA H 1 4.081 0.02 . 1 . . . . 123 N HA . 16246 1 81 . 1 1 10 10 ASN HB2 H 1 3.69 0.02 . 2 . . . . 123 N HB1 . 16246 1 82 . 1 1 10 10 ASN HB3 H 1 2.588 0.02 . 2 . . . . 123 N HB2 . 16246 1 83 . 1 1 10 10 ASN HD21 H 1 7.96 0.02 . 2 . . . . 123 N HD21 . 16246 1 84 . 1 1 10 10 ASN HD22 H 1 6.985 0.02 . 2 . . . . 123 N HD22 . 16246 1 85 . 1 1 10 10 ASN CA C 13 54.231 0.4 . 1 . . . . 123 N CA . 16246 1 86 . 1 1 10 10 ASN CB C 13 38.093 0.4 . 1 . . . . 123 N CB . 16246 1 87 . 1 1 10 10 ASN N N 15 119.08 0.4 . 1 . . . . 123 N N . 16246 1 88 . 1 1 10 10 ASN ND2 N 15 112.701 0.4 . 1 . . . . 123 N ND . 16246 1 89 . 1 1 11 11 PHE H H 1 6.037 0.02 . 1 . . . . 124 F HN . 16246 1 90 . 1 1 11 11 PHE CA C 13 52.034 0.4 . 1 . . . . 124 F CA . 16246 1 91 . 1 1 11 11 PHE CB C 13 37.411 0.4 . 1 . . . . 124 F CB . 16246 1 92 . 1 1 11 11 PHE N N 15 108.697 0.4 . 1 . . . . 124 F N . 16246 1 93 . 1 1 13 13 PRO HA H 1 4.224 0.02 . 1 . . . . 126 P HA . 16246 1 94 . 1 1 13 13 PRO HB2 H 1 2.254 0.02 . 2 . . . . 126 P HB1 . 16246 1 95 . 1 1 13 13 PRO HB3 H 1 1.985 0.02 . 2 . . . . 126 P HB2 . 16246 1 96 . 1 1 13 13 PRO HD2 H 1 3.568 0.02 . 2 . . . . 126 P HD1 . 16246 1 97 . 1 1 13 13 PRO HD3 H 1 3.231 0.02 . 2 . . . . 126 P HD2 . 16246 1 98 . 1 1 13 13 PRO HG2 H 1 2.016 0.02 . 2 . . . . 126 P HG1 . 16246 1 99 . 1 1 13 13 PRO HG3 H 1 1.89 0.02 . 2 . . . . 126 P HG2 . 16246 1 100 . 1 1 13 13 PRO CA C 13 64.709 0.4 . 1 . . . . 126 P CA . 16246 1 101 . 1 1 13 13 PRO CB C 13 31.862 0.4 . 1 . . . . 126 P CB . 16246 1 102 . 1 1 13 13 PRO CD C 13 51.543 0.4 . 1 . . . . 126 P CD . 16246 1 103 . 1 1 13 13 PRO CG C 13 27.295 0.4 . 1 . . . . 126 P CG . 16246 1 104 . 1 1 14 14 SER H H 1 7.475 0.02 . 1 . . . . 127 S HN . 16246 1 105 . 1 1 14 14 SER HA H 1 4.34 0.02 . 1 . . . . 127 S HA . 16246 1 106 . 1 1 14 14 SER HB2 H 1 4.106 0.02 . 2 . . . . 127 S HB1 . 16246 1 107 . 1 1 14 14 SER HB3 H 1 3.872 0.02 . 2 . . . . 127 S HB2 . 16246 1 108 . 1 1 14 14 SER CA C 13 58.248 0.4 . 1 . . . . 127 S CA . 16246 1 109 . 1 1 14 14 SER CB C 13 63.429 0.4 . 1 . . . . 127 S CB . 16246 1 110 . 1 1 14 14 SER N N 15 109.23 0.4 . 1 . . . . 127 S N . 16246 1 111 . 1 1 15 15 TYR H H 1 7.994 0.02 . 1 . . . . 128 Y HN . 16246 1 112 . 1 1 15 15 TYR HA H 1 4.379 0.02 . 1 . . . . 128 Y HA . 16246 1 113 . 1 1 15 15 TYR HB2 H 1 3.579 0.02 . 2 . . . . 128 Y HB1 . 16246 1 114 . 1 1 15 15 TYR HB3 H 1 2.335 0.02 . 2 . . . . 128 Y HB2 . 16246 1 115 . 1 1 15 15 TYR CA C 13 58.68 0.4 . 1 . . . . 128 Y CA . 16246 1 116 . 1 1 15 15 TYR CB C 13 38.405 0.4 . 1 . . . . 128 Y CB . 16246 1 117 . 1 1 15 15 TYR N N 15 124.448 0.4 . 1 . . . . 128 Y N . 16246 1 118 . 1 1 16 16 THR H H 1 8.784 0.02 . 1 . . . . 129 T HN . 16246 1 119 . 1 1 16 16 THR HA H 1 4.594 0.02 . 1 . . . . 129 T HA . 16246 1 120 . 1 1 16 16 THR HB H 1 4.635 0.02 . 1 . . . . 129 T HB . 16246 1 121 . 1 1 16 16 THR HG21 H 1 1.287 0.02 . 1 . . . . 129 T HG . 16246 1 122 . 1 1 16 16 THR HG22 H 1 1.287 0.02 . 1 . . . . 129 T HG . 16246 1 123 . 1 1 16 16 THR HG23 H 1 1.287 0.02 . 1 . . . . 129 T HG . 16246 1 124 . 1 1 16 16 THR CA C 13 59.456 0.4 . 1 . . . . 129 T CA . 16246 1 125 . 1 1 16 16 THR CB C 13 72.395 0.4 . 1 . . . . 129 T CB . 16246 1 126 . 1 1 16 16 THR N N 15 112.664 0.4 . 1 . . . . 129 T N . 16246 1 127 . 1 1 17 17 GLN H H 1 9.218 0.02 . 1 . . . . 130 Q HN . 16246 1 128 . 1 1 17 17 GLN HA H 1 4.248 0.02 . 1 . . . . 130 Q HA . 16246 1 129 . 1 1 17 17 GLN HB2 H 1 2.237 0.02 . 2 . . . . 130 Q HB . 16246 1 130 . 1 1 17 17 GLN HB3 H 1 2.237 0.02 . 2 . . . . 130 Q HB . 16246 1 131 . 1 1 17 17 GLN HE21 H 1 7.71 0.02 . 2 . . . . 130 Q HE1 . 16246 1 132 . 1 1 17 17 GLN HE22 H 1 6.977 0.02 . 2 . . . . 130 Q HE2 . 16246 1 133 . 1 1 17 17 GLN CA C 13 58.401 0.4 . 1 . . . . 130 Q CA . 16246 1 134 . 1 1 17 17 GLN CB C 13 30.989 0.4 . 1 . . . . 130 Q CB . 16246 1 135 . 1 1 17 17 GLN N N 15 118.829 0.4 . 1 . . . . 130 Q N . 16246 1 136 . 1 1 17 17 GLN NE2 N 15 113.062 0.4 . 1 . . . . 130 Q NE . 16246 1 137 . 1 1 18 18 ARG H H 1 7.83 0.02 . 1 . . . . 131 R HN . 16246 1 138 . 1 1 18 18 ARG HA H 1 3.856 0.02 . 1 . . . . 131 R HA . 16246 1 139 . 1 1 18 18 ARG HB2 H 1 1.778 0.02 . 2 . . . . 131 R HB1 . 16246 1 140 . 1 1 18 18 ARG HB3 H 1 1.56 0.02 . 2 . . . . 131 R HB2 . 16246 1 141 . 1 1 18 18 ARG HD2 H 1 3.094 0.02 . 2 . . . . 131 R HD1 . 16246 1 142 . 1 1 18 18 ARG HD3 H 1 3.069 0.02 . 2 . . . . 131 R HD2 . 16246 1 143 . 1 1 18 18 ARG HG2 H 1 1.485 0.02 . 2 . . . . 131 R HG1 . 16246 1 144 . 1 1 18 18 ARG HG3 H 1 1.227 0.02 . 2 . . . . 131 R HG2 . 16246 1 145 . 1 1 18 18 ARG CA C 13 58.703 0.4 . 1 . . . . 131 R CA . 16246 1 146 . 1 1 18 18 ARG CB C 13 29.729 0.4 . 1 . . . . 131 R CB . 16246 1 147 . 1 1 18 18 ARG CD C 13 42.927 0.4 . 1 . . . . 131 R CD . 16246 1 148 . 1 1 18 18 ARG CG C 13 26.613 0.4 . 1 . . . . 131 R CG . 16246 1 149 . 1 1 18 18 ARG N N 15 125.636 0.4 . 1 . . . . 131 R N . 16246 1 150 . 1 1 19 19 ASN H H 1 7.093 0.02 . 1 . . . . 132 N HN . 16246 1 151 . 1 1 19 19 ASN HA H 1 4.16 0.02 . 1 . . . . 132 N HA . 16246 1 152 . 1 1 19 19 ASN HB2 H 1 1.666 0.02 . 2 . . . . 132 N HB1 . 16246 1 153 . 1 1 19 19 ASN HB3 H 1 1.356 0.02 . 2 . . . . 132 N HB2 . 16246 1 154 . 1 1 19 19 ASN HD21 H 1 7.906 0.02 . 2 . . . . 132 N HD21 . 16246 1 155 . 1 1 19 19 ASN HD22 H 1 6.827 0.02 . 2 . . . . 132 N HD22 . 16246 1 156 . 1 1 19 19 ASN CA C 13 56.687 0.4 . 1 . . . . 132 N CA . 16246 1 157 . 1 1 19 19 ASN CB C 13 38.019 0.4 . 1 . . . . 132 N CB . 16246 1 158 . 1 1 19 19 ASN N N 15 114.882 0.4 . 1 . . . . 132 N N . 16246 1 159 . 1 1 19 19 ASN ND2 N 15 110.092 0.4 . 1 . . . . 132 N ND . 16246 1 160 . 1 1 20 20 ILE H H 1 7.206 0.02 . 1 . . . . 133 I HN . 16246 1 161 . 1 1 20 20 ILE HA H 1 3.42 0.02 . 1 . . . . 133 I HA . 16246 1 162 . 1 1 20 20 ILE HB H 1 1.718 0.02 . 1 . . . . 133 I HB . 16246 1 163 . 1 1 20 20 ILE HD11 H 1 0.685 0.02 . 1 . . . . 133 I HD . 16246 1 164 . 1 1 20 20 ILE HD12 H 1 0.685 0.02 . 1 . . . . 133 I HD . 16246 1 165 . 1 1 20 20 ILE HD13 H 1 0.685 0.02 . 1 . . . . 133 I HD . 16246 1 166 . 1 1 20 20 ILE HG12 H 1 1.223 0.02 . 2 . . . . 133 I HG1 . 16246 1 167 . 1 1 20 20 ILE HG13 H 1 1.223 0.02 . 2 . . . . 133 I HG1 . 16246 1 168 . 1 1 20 20 ILE HG21 H 1 0.641 0.02 . 1 . . . . 133 I HG2 . 16246 1 169 . 1 1 20 20 ILE HG22 H 1 0.641 0.02 . 1 . . . . 133 I HG2 . 16246 1 170 . 1 1 20 20 ILE HG23 H 1 0.641 0.02 . 1 . . . . 133 I HG2 . 16246 1 171 . 1 1 20 20 ILE CA C 13 64.655 0.4 . 1 . . . . 133 I CA . 16246 1 172 . 1 1 20 20 ILE CB C 13 37.333 0.4 . 1 . . . . 133 I CB . 16246 1 173 . 1 1 20 20 ILE CD1 C 13 17.91 0.4 . 1 . . . . 133 I CD . 16246 1 174 . 1 1 20 20 ILE CG1 C 13 26.935 0.4 . 1 . . . . 133 I CG1 . 16246 1 175 . 1 1 20 20 ILE CG2 C 13 17.827 0.4 . 1 . . . . 133 I CG2 . 16246 1 176 . 1 1 20 20 ILE N N 15 118.847 0.4 . 1 . . . . 133 I N . 16246 1 177 . 1 1 21 21 ARG H H 1 8.226 0.02 . 1 . . . . 134 R HN . 16246 1 178 . 1 1 21 21 ARG HA H 1 3.604 0.02 . 1 . . . . 134 R HA . 16246 1 179 . 1 1 21 21 ARG HB2 H 1 1.946 0.02 . 2 . . . . 134 R HB1 . 16246 1 180 . 1 1 21 21 ARG HB3 H 1 1.759 0.02 . 2 . . . . 134 R HB2 . 16246 1 181 . 1 1 21 21 ARG HD2 H 1 3.294 0.02 . 2 . . . . 134 R HD1 . 16246 1 182 . 1 1 21 21 ARG HD3 H 1 3.089 0.02 . 2 . . . . 134 R HD2 . 16246 1 183 . 1 1 21 21 ARG HG2 H 1 1.613 0.02 . 2 . . . . 134 R HG . 16246 1 184 . 1 1 21 21 ARG HG3 H 1 1.613 0.02 . 2 . . . . 134 R HG . 16246 1 185 . 1 1 21 21 ARG CA C 13 60.651 0.4 . 1 . . . . 134 R CA . 16246 1 186 . 1 1 21 21 ARG CB C 13 29.606 0.4 . 1 . . . . 134 R CB . 16246 1 187 . 1 1 21 21 ARG CD C 13 43.371 0.4 . 1 . . . . 134 R CD . 16246 1 188 . 1 1 21 21 ARG CG C 13 27.641 0.4 . 1 . . . . 134 R CG . 16246 1 189 . 1 1 21 21 ARG N N 15 120.857 0.4 . 1 . . . . 134 R N . 16246 1 190 . 1 1 22 22 ASP H H 1 8.167 0.02 . 1 . . . . 135 D HN . 16246 1 191 . 1 1 22 22 ASP HA H 1 4.314 0.02 . 1 . . . . 135 D HA . 16246 1 192 . 1 1 22 22 ASP HB2 H 1 2.672 0.02 . 2 . . . . 135 D HB . 16246 1 193 . 1 1 22 22 ASP HB3 H 1 2.672 0.02 . 2 . . . . 135 D HB . 16246 1 194 . 1 1 22 22 ASP CA C 13 57.524 0.4 . 1 . . . . 135 D CA . 16246 1 195 . 1 1 22 22 ASP CB C 13 39.772 0.4 . 1 . . . . 135 D CB . 16246 1 196 . 1 1 22 22 ASP N N 15 119.943 0.4 . 1 . . . . 135 D N . 16246 1 197 . 1 1 23 23 LEU H H 1 7.431 0.02 . 1 . . . . 136 L HN . 16246 1 198 . 1 1 23 23 LEU HA H 1 4.096 0.02 . 1 . . . . 136 L HA . 16246 1 199 . 1 1 23 23 LEU HB2 H 1 1.928 0.02 . 2 . . . . 136 L HB1 . 16246 1 200 . 1 1 23 23 LEU HB3 H 1 1.671 0.02 . 2 . . . . 136 L HB2 . 16246 1 201 . 1 1 23 23 LEU HD11 H 1 0.913 0.02 . 2 . . . . 136 L HD1 . 16246 1 202 . 1 1 23 23 LEU HD12 H 1 0.913 0.02 . 2 . . . . 136 L HD1 . 16246 1 203 . 1 1 23 23 LEU HD13 H 1 0.913 0.02 . 2 . . . . 136 L HD1 . 16246 1 204 . 1 1 23 23 LEU HD21 H 1 0.913 0.02 . 2 . . . . 136 L HD2 . 16246 1 205 . 1 1 23 23 LEU HD22 H 1 0.913 0.02 . 2 . . . . 136 L HD2 . 16246 1 206 . 1 1 23 23 LEU HD23 H 1 0.913 0.02 . 2 . . . . 136 L HD2 . 16246 1 207 . 1 1 23 23 LEU HG H 1 1.709 0.02 . 1 . . . . 136 L HG . 16246 1 208 . 1 1 23 23 LEU CA C 13 57.783 0.4 . 1 . . . . 136 L CA . 16246 1 209 . 1 1 23 23 LEU CB C 13 42.346 0.4 . 1 . . . . 136 L CB . 16246 1 210 . 1 1 23 23 LEU CD1 C 13 24.813 0.4 . 2 . . . . 136 L CD1 . 16246 1 211 . 1 1 23 23 LEU CD2 C 13 24.813 0.4 . 2 . . . . 136 L CD2 . 16246 1 212 . 1 1 23 23 LEU CG C 13 24.669 0.4 . 1 . . . . 136 L CG . 16246 1 213 . 1 1 23 23 LEU N N 15 121.201 0.4 . 1 . . . . 136 L N . 16246 1 214 . 1 1 24 24 LEU H H 1 7.4 0.02 . 1 . . . . 137 L HN . 16246 1 215 . 1 1 24 24 LEU HA H 1 3.997 0.02 . 1 . . . . 137 L HA . 16246 1 216 . 1 1 24 24 LEU HB2 H 1 1.887 0.02 . 2 . . . . 137 L HB1 . 16246 1 217 . 1 1 24 24 LEU HB3 H 1 1.604 0.02 . 2 . . . . 137 L HB2 . 16246 1 218 . 1 1 24 24 LEU HD11 H 1 0.742 0.02 . 2 . . . . 137 L HD1 . 16246 1 219 . 1 1 24 24 LEU HD12 H 1 0.742 0.02 . 2 . . . . 137 L HD1 . 16246 1 220 . 1 1 24 24 LEU HD13 H 1 0.742 0.02 . 2 . . . . 137 L HD1 . 16246 1 221 . 1 1 24 24 LEU HD21 H 1 0.696 0.02 . 2 . . . . 137 L HD2 . 16246 1 222 . 1 1 24 24 LEU HD22 H 1 0.696 0.02 . 2 . . . . 137 L HD2 . 16246 1 223 . 1 1 24 24 LEU HD23 H 1 0.696 0.02 . 2 . . . . 137 L HD2 . 16246 1 224 . 1 1 24 24 LEU HG H 1 1.664 0.02 . 1 . . . . 137 L HG . 16246 1 225 . 1 1 24 24 LEU CA C 13 58.099 0.4 . 1 . . . . 137 L CA . 16246 1 226 . 1 1 24 24 LEU CB C 13 40.298 0.4 . 1 . . . . 137 L CB . 16246 1 227 . 1 1 24 24 LEU CD1 C 13 25.792 0.4 . 2 . . . . 137 L CD1 . 16246 1 228 . 1 1 24 24 LEU CD2 C 13 25.792 0.4 . 2 . . . . 137 L CD2 . 16246 1 229 . 1 1 24 24 LEU CG C 13 29.837 0.4 . 1 . . . . 137 L CG . 16246 1 230 . 1 1 24 24 LEU N N 15 117.435 0.4 . 1 . . . . 137 L N . 16246 1 231 . 1 1 25 25 GLN H H 1 8.555 0.02 . 1 . . . . 138 Q HN . 16246 1 232 . 1 1 25 25 GLN HA H 1 4.05 0.02 . 1 . . . . 138 Q HA . 16246 1 233 . 1 1 25 25 GLN HB2 H 1 2.249 0.02 . 2 . . . . 138 Q HB . 16246 1 234 . 1 1 25 25 GLN HB3 H 1 2.249 0.02 . 2 . . . . 138 Q HB . 16246 1 235 . 1 1 25 25 GLN HE21 H 1 7.47 0.02 . 2 . . . . 138 Q HE1 . 16246 1 236 . 1 1 25 25 GLN HE22 H 1 6.755 0.02 . 2 . . . . 138 Q HE2 . 16246 1 237 . 1 1 25 25 GLN HG2 H 1 2.433 0.02 . 2 . . . . 138 Q HG . 16246 1 238 . 1 1 25 25 GLN HG3 H 1 2.433 0.02 . 2 . . . . 138 Q HG . 16246 1 239 . 1 1 25 25 GLN CA C 13 59.047 0.4 . 1 . . . . 138 Q CA . 16246 1 240 . 1 1 25 25 GLN CB C 13 28.54 0.4 . 1 . . . . 138 Q CB . 16246 1 241 . 1 1 25 25 GLN CG C 13 34.348 0.4 . 1 . . . . 138 Q CG . 16246 1 242 . 1 1 25 25 GLN N N 15 121.281 0.4 . 1 . . . . 138 Q N . 16246 1 243 . 1 1 25 25 GLN NE2 N 15 111.876 0.4 . 1 . . . . 138 Q NE . 16246 1 244 . 1 1 26 26 ASP H H 1 8.054 0.02 . 1 . . . . 139 D HN . 16246 1 245 . 1 1 26 26 ASP HA H 1 4.527 0.02 . 1 . . . . 139 D HA . 16246 1 246 . 1 1 26 26 ASP HB2 H 1 2.986 0.02 . 2 . . . . 139 D HB1 . 16246 1 247 . 1 1 26 26 ASP HB3 H 1 2.717 0.02 . 2 . . . . 139 D HB2 . 16246 1 248 . 1 1 26 26 ASP CA C 13 56.89 0.4 . 1 . . . . 139 D CA . 16246 1 249 . 1 1 26 26 ASP CB C 13 40.89 0.4 . 1 . . . . 139 D CB . 16246 1 250 . 1 1 26 26 ASP N N 15 120.512 0.4 . 1 . . . . 139 D N . 16246 1 251 . 1 1 27 27 ILE H H 1 7.253 0.02 . 1 . . . . 140 I HN . 16246 1 252 . 1 1 27 27 ILE HA H 1 4.719 0.02 . 1 . . . . 140 I HA . 16246 1 253 . 1 1 27 27 ILE HB H 1 2.322 0.02 . 1 . . . . 140 I HB . 16246 1 254 . 1 1 27 27 ILE HD11 H 1 0.843 0.02 . 1 . . . . 140 I HD . 16246 1 255 . 1 1 27 27 ILE HD12 H 1 0.843 0.02 . 1 . . . . 140 I HD . 16246 1 256 . 1 1 27 27 ILE HD13 H 1 0.843 0.02 . 1 . . . . 140 I HD . 16246 1 257 . 1 1 27 27 ILE HG12 H 1 1.661 0.02 . 2 . . . . 140 I HG1 . 16246 1 258 . 1 1 27 27 ILE HG13 H 1 1.661 0.02 . 2 . . . . 140 I HG1 . 16246 1 259 . 1 1 27 27 ILE HG21 H 1 0.843 0.02 . 1 . . . . 140 I HG2 . 16246 1 260 . 1 1 27 27 ILE HG22 H 1 0.843 0.02 . 1 . . . . 140 I HG2 . 16246 1 261 . 1 1 27 27 ILE HG23 H 1 0.843 0.02 . 1 . . . . 140 I HG2 . 16246 1 262 . 1 1 27 27 ILE CA C 13 60.926 0.4 . 1 . . . . 140 I CA . 16246 1 263 . 1 1 27 27 ILE CB C 13 37.958 0.4 . 1 . . . . 140 I CB . 16246 1 264 . 1 1 27 27 ILE CD1 C 13 15.458 0.4 . 1 . . . . 140 I CD . 16246 1 265 . 1 1 27 27 ILE CG1 C 13 26.725 0.4 . 1 . . . . 140 I CG1 . 16246 1 266 . 1 1 27 27 ILE CG2 C 13 18.036 0.4 . 1 . . . . 140 I CG2 . 16246 1 267 . 1 1 27 27 ILE N N 15 110.174 0.4 . 1 . . . . 140 I N . 16246 1 268 . 1 1 28 28 ASN H H 1 8.155 0.02 . 1 . . . . 141 N HN . 16246 1 269 . 1 1 28 28 ASN HA H 1 4.311 0.02 . 1 . . . . 141 N HA . 16246 1 270 . 1 1 28 28 ASN HB2 H 1 3.163 0.02 . 2 . . . . 141 N HB1 . 16246 1 271 . 1 1 28 28 ASN HB3 H 1 2.843 0.02 . 2 . . . . 141 N HB2 . 16246 1 272 . 1 1 28 28 ASN HD21 H 1 7.136 0.02 . 2 . . . . 141 N HD21 . 16246 1 273 . 1 1 28 28 ASN CA C 13 54.532 0.4 . 1 . . . . 141 N CA . 16246 1 274 . 1 1 28 28 ASN CB C 13 37.24 0.4 . 1 . . . . 141 N CB . 16246 1 275 . 1 1 28 28 ASN N N 15 117.02 0.4 . 1 . . . . 141 N N . 16246 1 276 . 1 1 28 28 ASN ND2 N 15 112.188 0.4 . 1 . . . . 141 N ND . 16246 1 277 . 1 1 29 29 VAL H H 1 8.109 0.02 . 1 . . . . 142 V HN . 16246 1 278 . 1 1 29 29 VAL HA H 1 4.255 0.02 . 1 . . . . 142 V HA . 16246 1 279 . 1 1 29 29 VAL HB H 1 1.679 0.02 . 1 . . . . 142 V HB . 16246 1 280 . 1 1 29 29 VAL HG11 H 1 1.037 0.02 . 2 . . . . 142 V HG1 . 16246 1 281 . 1 1 29 29 VAL HG12 H 1 1.037 0.02 . 2 . . . . 142 V HG1 . 16246 1 282 . 1 1 29 29 VAL HG13 H 1 1.037 0.02 . 2 . . . . 142 V HG1 . 16246 1 283 . 1 1 29 29 VAL HG21 H 1 0.735 0.02 . 2 . . . . 142 V HG2 . 16246 1 284 . 1 1 29 29 VAL HG22 H 1 0.735 0.02 . 2 . . . . 142 V HG2 . 16246 1 285 . 1 1 29 29 VAL HG23 H 1 0.735 0.02 . 2 . . . . 142 V HG2 . 16246 1 286 . 1 1 29 29 VAL CA C 13 61.697 0.4 . 1 . . . . 142 V CA . 16246 1 287 . 1 1 29 29 VAL CB C 13 34.396 0.4 . 1 . . . . 142 V CB . 16246 1 288 . 1 1 29 29 VAL CG1 C 13 21.875 0.4 . 2 . . . . 142 V CG1 . 16246 1 289 . 1 1 29 29 VAL CG2 C 13 21.875 0.4 . 2 . . . . 142 V CG2 . 16246 1 290 . 1 1 29 29 VAL N N 15 119.586 0.4 . 1 . . . . 142 V N . 16246 1 291 . 1 1 30 30 VAL H H 1 8.488 0.02 . 1 . . . . 143 V HN . 16246 1 292 . 1 1 30 30 VAL HA H 1 3.84 0.02 . 1 . . . . 143 V HA . 16246 1 293 . 1 1 30 30 VAL HB H 1 1.937 0.02 . 1 . . . . 143 V HB . 16246 1 294 . 1 1 30 30 VAL HG11 H 1 0.901 0.02 . 2 . . . . 143 V HG1 . 16246 1 295 . 1 1 30 30 VAL HG12 H 1 0.901 0.02 . 2 . . . . 143 V HG1 . 16246 1 296 . 1 1 30 30 VAL HG13 H 1 0.901 0.02 . 2 . . . . 143 V HG1 . 16246 1 297 . 1 1 30 30 VAL HG21 H 1 0.809 0.02 . 2 . . . . 143 V HG2 . 16246 1 298 . 1 1 30 30 VAL HG22 H 1 0.809 0.02 . 2 . . . . 143 V HG2 . 16246 1 299 . 1 1 30 30 VAL HG23 H 1 0.809 0.02 . 2 . . . . 143 V HG2 . 16246 1 300 . 1 1 30 30 VAL CA C 13 62.112 0.4 . 1 . . . . 143 V CA . 16246 1 301 . 1 1 30 30 VAL CB C 13 32.622 0.4 . 1 . . . . 143 V CB . 16246 1 302 . 1 1 30 30 VAL CG1 C 13 21.022 0.4 . 2 . . . . 143 V CG1 . 16246 1 303 . 1 1 30 30 VAL CG2 C 13 21.022 0.4 . 2 . . . . 143 V CG2 . 16246 1 304 . 1 1 30 30 VAL N N 15 127.615 0.4 . 1 . . . . 143 V N . 16246 1 305 . 1 1 31 31 ALA H H 1 8.462 0.02 . 1 . . . . 144 A HN . 16246 1 306 . 1 1 31 31 ALA HA H 1 4.534 0.02 . 1 . . . . 144 A HA . 16246 1 307 . 1 1 31 31 ALA HB1 H 1 1.195 0.02 . 1 . . . . 144 A HB . 16246 1 308 . 1 1 31 31 ALA HB2 H 1 1.195 0.02 . 1 . . . . 144 A HB . 16246 1 309 . 1 1 31 31 ALA HB3 H 1 1.195 0.02 . 1 . . . . 144 A HB . 16246 1 310 . 1 1 31 31 ALA CA C 13 50.754 0.4 . 1 . . . . 144 A CA . 16246 1 311 . 1 1 31 31 ALA CB C 13 19.741 0.4 . 1 . . . . 144 A CB . 16246 1 312 . 1 1 31 31 ALA N N 15 128.796 0.4 . 1 . . . . 144 A N . 16246 1 313 . 1 1 32 32 LEU H H 1 8.866 0.02 . 1 . . . . 145 L HN . 16246 1 314 . 1 1 32 32 LEU HA H 1 4.195 0.02 . 1 . . . . 145 L HA . 16246 1 315 . 1 1 32 32 LEU HB2 H 1 1.513 0.02 . 2 . . . . 145 L HB1 . 16246 1 316 . 1 1 32 32 LEU HB3 H 1 1.453 0.02 . 2 . . . . 145 L HB2 . 16246 1 317 . 1 1 32 32 LEU HD11 H 1 0.779 0.02 . 2 . . . . 145 L HD1 . 16246 1 318 . 1 1 32 32 LEU HD12 H 1 0.779 0.02 . 2 . . . . 145 L HD1 . 16246 1 319 . 1 1 32 32 LEU HD13 H 1 0.779 0.02 . 2 . . . . 145 L HD1 . 16246 1 320 . 1 1 32 32 LEU HD21 H 1 0.788 0.02 . 2 . . . . 145 L HD2 . 16246 1 321 . 1 1 32 32 LEU HD22 H 1 0.788 0.02 . 2 . . . . 145 L HD2 . 16246 1 322 . 1 1 32 32 LEU HD23 H 1 0.788 0.02 . 2 . . . . 145 L HD2 . 16246 1 323 . 1 1 32 32 LEU HG H 1 1.416 0.02 . 1 . . . . 145 L HG . 16246 1 324 . 1 1 32 32 LEU CA C 13 56.335 0.4 . 1 . . . . 145 L CA . 16246 1 325 . 1 1 32 32 LEU CB C 13 42.16 0.4 . 1 . . . . 145 L CB . 16246 1 326 . 1 1 32 32 LEU CD1 C 13 25.42 0.4 . 2 . . . . 145 L CD1 . 16246 1 327 . 1 1 32 32 LEU CD2 C 13 22.485 0.4 . 2 . . . . 145 L CD2 . 16246 1 328 . 1 1 32 32 LEU CG C 13 25.418 0.4 . 1 . . . . 145 L CG . 16246 1 329 . 1 1 32 32 LEU N N 15 123.62 0.4 . 1 . . . . 145 L N . 16246 1 330 . 1 1 33 33 SER H H 1 7.259 0.02 . 1 . . . . 146 S HN . 16246 1 331 . 1 1 33 33 SER HA H 1 4.474 0.02 . 1 . . . . 146 S HA . 16246 1 332 . 1 1 33 33 SER HB2 H 1 3.868 0.02 . 2 . . . . 146 S HB1 . 16246 1 333 . 1 1 33 33 SER HB3 H 1 3.647 0.02 . 2 . . . . 146 S HB2 . 16246 1 334 . 1 1 33 33 SER CA C 13 58.013 0.4 . 1 . . . . 146 S CA . 16246 1 335 . 1 1 33 33 SER CB C 13 64.504 0.4 . 1 . . . . 146 S CB . 16246 1 336 . 1 1 33 33 SER N N 15 109.953 0.4 . 1 . . . . 146 S N . 16246 1 337 . 1 1 34 34 ILE H H 1 8.401 0.02 . 1 . . . . 147 I HN . 16246 1 338 . 1 1 34 34 ILE HA H 1 4.77 0.02 . 1 . . . . 147 I HA . 16246 1 339 . 1 1 34 34 ILE HB H 1 1.625 0.02 . 1 . . . . 147 I HB . 16246 1 340 . 1 1 34 34 ILE HD11 H 1 0.721 0.02 . 1 . . . . 147 I HD . 16246 1 341 . 1 1 34 34 ILE HD12 H 1 0.721 0.02 . 1 . . . . 147 I HD . 16246 1 342 . 1 1 34 34 ILE HD13 H 1 0.721 0.02 . 1 . . . . 147 I HD . 16246 1 343 . 1 1 34 34 ILE HG12 H 1 0.863 0.02 . 2 . . . . 147 I HG1 . 16246 1 344 . 1 1 34 34 ILE HG13 H 1 0.863 0.02 . 2 . . . . 147 I HG1 . 16246 1 345 . 1 1 34 34 ILE HG21 H 1 0.863 0.02 . 1 . . . . 147 I HG2 . 16246 1 346 . 1 1 34 34 ILE HG22 H 1 0.863 0.02 . 1 . . . . 147 I HG2 . 16246 1 347 . 1 1 34 34 ILE HG23 H 1 0.863 0.02 . 1 . . . . 147 I HG2 . 16246 1 348 . 1 1 34 34 ILE CA C 13 61.221 0.4 . 1 . . . . 147 I CA . 16246 1 349 . 1 1 34 34 ILE CB C 13 41.291 0.4 . 1 . . . . 147 I CB . 16246 1 350 . 1 1 34 34 ILE CD1 C 13 17.482 0.4 . 1 . . . . 147 I CD . 16246 1 351 . 1 1 34 34 ILE CG1 C 13 27.992 0.4 . 1 . . . . 147 I CG1 . 16246 1 352 . 1 1 34 34 ILE CG2 C 13 17.482 0.4 . 1 . . . . 147 I CG2 . 16246 1 353 . 1 1 34 34 ILE N N 15 124.93 0.4 . 1 . . . . 147 I N . 16246 1 354 . 1 1 35 35 ARG H H 1 9.405 0.02 . 1 . . . . 148 R HN . 16246 1 355 . 1 1 35 35 ARG HA H 1 4.72 0.02 . 1 . . . . 148 R HA . 16246 1 356 . 1 1 35 35 ARG HB2 H 1 1.796 0.02 . 2 . . . . 148 R HB1 . 16246 1 357 . 1 1 35 35 ARG HB3 H 1 1.708 0.02 . 2 . . . . 148 R HB2 . 16246 1 358 . 1 1 35 35 ARG HD2 H 1 2.924 0.02 . 2 . . . . 148 R HD . 16246 1 359 . 1 1 35 35 ARG HD3 H 1 2.924 0.02 . 2 . . . . 148 R HD . 16246 1 360 . 1 1 35 35 ARG HG2 H 1 1.446 0.02 . 2 . . . . 148 R HG1 . 16246 1 361 . 1 1 35 35 ARG HG3 H 1 1.258 0.02 . 2 . . . . 148 R HG2 . 16246 1 362 . 1 1 35 35 ARG CA C 13 55.122 0.4 . 1 . . . . 148 R CA . 16246 1 363 . 1 1 35 35 ARG CB C 13 33.05 0.4 . 1 . . . . 148 R CB . 16246 1 364 . 1 1 35 35 ARG N N 15 127.037 0.4 . 1 . . . . 148 R N . 16246 1 365 . 1 1 36 36 LEU H H 1 8.752 0.02 . 1 . . . . 149 L HN . 16246 1 366 . 1 1 36 36 LEU CA C 13 52.542 0.4 . 1 . . . . 149 L CA . 16246 1 367 . 1 1 36 36 LEU CB C 13 43.116 0.4 . 1 . . . . 149 L CB . 16246 1 368 . 1 1 36 36 LEU N N 15 126.406 0.4 . 1 . . . . 149 L N . 16246 1 369 . 1 1 37 37 PRO CA C 13 64.65 0.4 . 1 . . . . 150 P CA . 16246 1 370 . 1 1 37 37 PRO CB C 13 31.763 0.4 . 1 . . . . 150 P CB . 16246 1 371 . 1 1 37 37 PRO CD C 13 51.13 0.4 . 1 . . . . 150 P CD . 16246 1 372 . 1 1 38 38 SER H H 1 7.577 0.02 . 1 . . . . 151 S HN . 16246 1 373 . 1 1 38 38 SER HA H 1 4.357 0.02 . 1 . . . . 151 S HA . 16246 1 374 . 1 1 38 38 SER HB2 H 1 3.876 0.02 . 2 . . . . 151 S HB . 16246 1 375 . 1 1 38 38 SER HB3 H 1 3.876 0.02 . 2 . . . . 151 S HB . 16246 1 376 . 1 1 38 38 SER CA C 13 58.508 0.4 . 1 . . . . 151 S CA . 16246 1 377 . 1 1 38 38 SER CB C 13 63.499 0.4 . 1 . . . . 151 S CB . 16246 1 378 . 1 1 38 38 SER N N 15 109.061 0.4 . 1 . . . . 151 S N . 16246 1 379 . 1 1 39 39 LEU H H 1 8.355 0.02 . 1 . . . . 152 L HN . 16246 1 380 . 1 1 39 39 LEU HA H 1 4.134 0.02 . 1 . . . . 152 L HA . 16246 1 381 . 1 1 39 39 LEU HB2 H 1 1.581 0.02 . 2 . . . . 152 L HB1 . 16246 1 382 . 1 1 39 39 LEU HB3 H 1 1.507 0.02 . 2 . . . . 152 L HB2 . 16246 1 383 . 1 1 39 39 LEU HD11 H 1 0.761 0.02 . 2 . . . . 152 L HD1 . 16246 1 384 . 1 1 39 39 LEU HD12 H 1 0.761 0.02 . 2 . . . . 152 L HD1 . 16246 1 385 . 1 1 39 39 LEU HD13 H 1 0.761 0.02 . 2 . . . . 152 L HD1 . 16246 1 386 . 1 1 39 39 LEU HD21 H 1 0.7 0.02 . 2 . . . . 152 L HD2 . 16246 1 387 . 1 1 39 39 LEU HD22 H 1 0.7 0.02 . 2 . . . . 152 L HD2 . 16246 1 388 . 1 1 39 39 LEU HD23 H 1 0.7 0.02 . 2 . . . . 152 L HD2 . 16246 1 389 . 1 1 39 39 LEU HG H 1 1.402 0.02 . 1 . . . . 152 L HG . 16246 1 390 . 1 1 39 39 LEU CA C 13 55.489 0.4 . 1 . . . . 152 L CA . 16246 1 391 . 1 1 39 39 LEU CB C 13 42.263 0.4 . 1 . . . . 152 L CB . 16246 1 392 . 1 1 39 39 LEU CD1 C 13 25.008 0.4 . 2 . . . . 152 L CD1 . 16246 1 393 . 1 1 39 39 LEU CD2 C 13 23.295 0.4 . 2 . . . . 152 L CD2 . 16246 1 394 . 1 1 39 39 LEU CG C 13 27.072 0.4 . 1 . . . . 152 L CG . 16246 1 395 . 1 1 39 39 LEU N N 15 124.367 0.4 . 1 . . . . 152 L N . 16246 1 396 . 1 1 40 40 ARG H H 1 8.214 0.02 . 1 . . . . 153 R HN . 16246 1 397 . 1 1 40 40 ARG HA H 1 4.049 0.02 . 1 . . . . 153 R HA . 16246 1 398 . 1 1 40 40 ARG HB2 H 1 1.938 0.02 . 2 . . . . 153 R HB1 . 16246 1 399 . 1 1 40 40 ARG HB3 H 1 2.061 0.02 . 2 . . . . 153 R HB2 . 16246 1 400 . 1 1 40 40 ARG HD2 H 1 3.113 0.02 . 2 . . . . 153 R HD . 16246 1 401 . 1 1 40 40 ARG HD3 H 1 3.113 0.02 . 2 . . . . 153 R HD . 16246 1 402 . 1 1 40 40 ARG HG2 H 1 2.088 0.02 . 2 . . . . 153 R HG1 . 16246 1 403 . 1 1 40 40 ARG HG3 H 1 1.996 0.02 . 2 . . . . 153 R HG2 . 16246 1 404 . 1 1 40 40 ARG CA C 13 57.198 0.4 . 1 . . . . 153 R CA . 16246 1 405 . 1 1 40 40 ARG CB C 13 29.867 0.4 . 1 . . . . 153 R CB . 16246 1 406 . 1 1 40 40 ARG CD C 13 36.158 0.4 . 1 . . . . 153 R CD . 16246 1 407 . 1 1 40 40 ARG N N 15 120.255 0.4 . 1 . . . . 153 R N . 16246 1 408 . 1 1 41 41 PHE H H 1 7.907 0.02 . 1 . . . . 154 F HN . 16246 1 409 . 1 1 41 41 PHE CA C 13 56.696 0.4 . 1 . . . . 154 F CA . 16246 1 410 . 1 1 41 41 PHE CB C 13 30.75 0.4 . 1 . . . . 154 F CB . 16246 1 411 . 1 1 41 41 PHE N N 15 118.491 0.4 . 1 . . . . 154 F N . 16246 1 412 . 1 1 42 42 ASN HB2 H 1 1.494 0.02 . 2 . . . . 155 N HB . 16246 1 413 . 1 1 42 42 ASN HB3 H 1 1.494 0.02 . 2 . . . . 155 N HB . 16246 1 414 . 1 1 42 42 ASN CA C 13 56.396 0.4 . 1 . . . . 155 N CA . 16246 1 415 . 1 1 42 42 ASN CB C 13 42.551 0.4 . 1 . . . . 155 N CB . 16246 1 416 . 1 1 43 43 THR H H 1 7.211 0.02 . 1 . . . . 156 T HN . 16246 1 417 . 1 1 43 43 THR CA C 13 57.852 0.4 . 1 . . . . 156 T CA . 16246 1 418 . 1 1 43 43 THR CB C 13 64.583 0.4 . 1 . . . . 156 T CB . 16246 1 419 . 1 1 43 43 THR N N 15 109.223 0.4 . 1 . . . . 156 T N . 16246 1 420 . 1 1 44 44 SER HA H 1 4.506 0.02 . 1 . . . . 157 S HA . 16246 1 421 . 1 1 44 44 SER HB2 H 1 3.97 0.02 . 2 . . . . 157 S HB . 16246 1 422 . 1 1 44 44 SER HB3 H 1 3.97 0.02 . 2 . . . . 157 S HB . 16246 1 423 . 1 1 44 44 SER CA C 13 59.25 0.4 . 1 . . . . 157 S CA . 16246 1 424 . 1 1 44 44 SER CB C 13 64.12 0.4 . 1 . . . . 157 S CB . 16246 1 425 . 1 1 45 45 ARG H H 1 8.119 0.02 . 1 . . . . 158 R HN . 16246 1 426 . 1 1 45 45 ARG HA H 1 4.381 0.02 . 1 . . . . 158 R HA . 16246 1 427 . 1 1 45 45 ARG HB2 H 1 1.779 0.02 . 2 . . . . 158 R HB1 . 16246 1 428 . 1 1 45 45 ARG HB3 H 1 1.716 0.02 . 2 . . . . 158 R HB2 . 16246 1 429 . 1 1 45 45 ARG HD2 H 1 3.172 0.02 . 2 . . . . 158 R HD . 16246 1 430 . 1 1 45 45 ARG HD3 H 1 3.172 0.02 . 2 . . . . 158 R HD . 16246 1 431 . 1 1 45 45 ARG HG2 H 1 1.629 0.02 . 2 . . . . 158 R HG1 . 16246 1 432 . 1 1 45 45 ARG HG3 H 1 1.56 0.02 . 2 . . . . 158 R HG2 . 16246 1 433 . 1 1 45 45 ARG CA C 13 55.637 0.4 . 1 . . . . 158 R CA . 16246 1 434 . 1 1 45 45 ARG CB C 13 31.036 0.4 . 1 . . . . 158 R CB . 16246 1 435 . 1 1 45 45 ARG CD C 13 43.611 0.4 . 1 . . . . 158 R CD . 16246 1 436 . 1 1 45 45 ARG CG C 13 26.925 0.4 . 1 . . . . 158 R CG . 16246 1 437 . 1 1 45 45 ARG N N 15 122.366 0.4 . 1 . . . . 158 R N . 16246 1 438 . 1 1 46 46 ARG H H 1 8.122 0.02 . 1 . . . . 159 R HN . 16246 1 439 . 1 1 46 46 ARG HA H 1 4.284 0.02 . 1 . . . . 159 R HA . 16246 1 440 . 1 1 46 46 ARG HB2 H 1 1.547 0.02 . 2 . . . . 159 R HB . 16246 1 441 . 1 1 46 46 ARG HB3 H 1 1.547 0.02 . 2 . . . . 159 R HB . 16246 1 442 . 1 1 46 46 ARG HD2 H 1 3.173 0.02 . 2 . . . . 159 R HD . 16246 1 443 . 1 1 46 46 ARG HD3 H 1 3.173 0.02 . 2 . . . . 159 R HD . 16246 1 444 . 1 1 46 46 ARG CA C 13 56.182 0.4 . 1 . . . . 159 R CA . 16246 1 445 . 1 1 46 46 ARG CB C 13 31.73 0.4 . 1 . . . . 159 R CB . 16246 1 446 . 1 1 46 46 ARG CD C 13 43.768 0.4 . 1 . . . . 159 R CD . 16246 1 447 . 1 1 46 46 ARG CG C 13 27.182 0.4 . 1 . . . . 159 R CG . 16246 1 448 . 1 1 46 46 ARG N N 15 121.664 0.4 . 1 . . . . 159 R N . 16246 1 449 . 1 1 47 47 PHE H H 1 8.027 0.02 . 1 . . . . 160 F HN . 16246 1 450 . 1 1 47 47 PHE HA H 1 4.97 0.02 . 1 . . . . 160 F HA . 16246 1 451 . 1 1 47 47 PHE HB2 H 1 2.598 0.02 . 2 . . . . 160 F HB . 16246 1 452 . 1 1 47 47 PHE HB3 H 1 2.598 0.02 . 2 . . . . 160 F HB . 16246 1 453 . 1 1 47 47 PHE CA C 13 56.041 0.4 . 1 . . . . 160 F CA . 16246 1 454 . 1 1 47 47 PHE CB C 13 42.35 0.4 . 1 . . . . 160 F CB . 16246 1 455 . 1 1 47 47 PHE N N 15 121.585 0.4 . 1 . . . . 160 F N . 16246 1 456 . 1 1 48 48 ALA H H 1 8.961 0.02 . 1 . . . . 161 A HN . 16246 1 457 . 1 1 48 48 ALA HA H 1 5.311 0.02 . 1 . . . . 161 A HA . 16246 1 458 . 1 1 48 48 ALA HB1 H 1 1.076 0.02 . 1 . . . . 161 A HB . 16246 1 459 . 1 1 48 48 ALA HB2 H 1 1.076 0.02 . 1 . . . . 161 A HB . 16246 1 460 . 1 1 48 48 ALA HB3 H 1 1.076 0.02 . 1 . . . . 161 A HB . 16246 1 461 . 1 1 48 48 ALA CA C 13 50.257 0.4 . 1 . . . . 161 A CA . 16246 1 462 . 1 1 48 48 ALA CB C 13 23.16 0.4 . 1 . . . . 161 A CB . 16246 1 463 . 1 1 48 48 ALA N N 15 120.096 0.4 . 1 . . . . 161 A N . 16246 1 464 . 1 1 49 49 TYR H H 1 8.939 0.02 . 1 . . . . 162 Y HN . 16246 1 465 . 1 1 49 49 TYR HA H 1 5.75 0.02 . 1 . . . . 162 Y HA . 16246 1 466 . 1 1 49 49 TYR HB2 H 1 2.959 0.02 . 2 . . . . 162 Y HB1 . 16246 1 467 . 1 1 49 49 TYR HB3 H 1 2.71 0.02 . 2 . . . . 162 Y HB2 . 16246 1 468 . 1 1 49 49 TYR CA C 13 56.791 0.4 . 1 . . . . 162 Y CA . 16246 1 469 . 1 1 49 49 TYR CB C 13 41.25 0.4 . 1 . . . . 162 Y CB . 16246 1 470 . 1 1 49 49 TYR N N 15 118.187 0.4 . 1 . . . . 162 Y N . 16246 1 471 . 1 1 50 50 ILE H H 1 9.311 0.02 . 1 . . . . 163 I HN . 16246 1 472 . 1 1 50 50 ILE HA H 1 4.958 0.02 . 1 . . . . 163 I HA . 16246 1 473 . 1 1 50 50 ILE HB H 1 1.763 0.02 . 1 . . . . 163 I HB . 16246 1 474 . 1 1 50 50 ILE HD11 H 1 0.81 0.02 . 1 . . . . 163 I HD . 16246 1 475 . 1 1 50 50 ILE HD12 H 1 0.81 0.02 . 1 . . . . 163 I HD . 16246 1 476 . 1 1 50 50 ILE HD13 H 1 0.81 0.02 . 1 . . . . 163 I HD . 16246 1 477 . 1 1 50 50 ILE HG12 H 1 0.942 0.02 . 2 . . . . 163 I HG12 . 16246 1 478 . 1 1 50 50 ILE HG13 H 1 0.816 0.02 . 2 . . . . 163 I HG13 . 16246 1 479 . 1 1 50 50 ILE HG21 H 1 0.89 0.02 . 1 . . . . 163 I HG2 . 16246 1 480 . 1 1 50 50 ILE HG22 H 1 0.89 0.02 . 1 . . . . 163 I HG2 . 16246 1 481 . 1 1 50 50 ILE HG23 H 1 0.89 0.02 . 1 . . . . 163 I HG2 . 16246 1 482 . 1 1 50 50 ILE CA C 13 60.032 0.4 . 1 . . . . 163 I CA . 16246 1 483 . 1 1 50 50 ILE CB C 13 42.894 0.4 . 1 . . . . 163 I CB . 16246 1 484 . 1 1 50 50 ILE CD1 C 13 16.006 0.4 . 1 . . . . 163 I CD . 16246 1 485 . 1 1 50 50 ILE CG1 C 13 28.858 0.4 . 1 . . . . 163 I CG1 . 16246 1 486 . 1 1 50 50 ILE CG2 C 13 19.345 0.4 . 1 . . . . 163 I CG2 . 16246 1 487 . 1 1 50 50 ILE N N 15 123.092 0.4 . 1 . . . . 163 I N . 16246 1 488 . 1 1 51 51 ASP H H 1 8.732 0.02 . 1 . . . . 164 D HN . 16246 1 489 . 1 1 51 51 ASP HA H 1 5.635 0.02 . 1 . . . . 164 D HA . 16246 1 490 . 1 1 51 51 ASP HB2 H 1 2.739 0.02 . 2 . . . . 164 D HB1 . 16246 1 491 . 1 1 51 51 ASP HB3 H 1 2.637 0.02 . 2 . . . . 164 D HB2 . 16246 1 492 . 1 1 51 51 ASP CA C 13 53.645 0.4 . 1 . . . . 164 D CA . 16246 1 493 . 1 1 51 51 ASP CB C 13 42.122 0.4 . 1 . . . . 164 D CB . 16246 1 494 . 1 1 51 51 ASP N N 15 127.441 0.4 . 1 . . . . 164 D N . 16246 1 495 . 1 1 52 52 VAL H H 1 8.958 0.02 . 1 . . . . 165 V HN . 16246 1 496 . 1 1 52 52 VAL HA H 1 4.949 0.02 . 1 . . . . 165 V HA . 16246 1 497 . 1 1 52 52 VAL HB H 1 2.41 0.02 . 1 . . . . 165 V HB . 16246 1 498 . 1 1 52 52 VAL HG11 H 1 0.875 0.02 . 2 . . . . 165 V HG1 . 16246 1 499 . 1 1 52 52 VAL HG12 H 1 0.875 0.02 . 2 . . . . 165 V HG1 . 16246 1 500 . 1 1 52 52 VAL HG13 H 1 0.875 0.02 . 2 . . . . 165 V HG1 . 16246 1 501 . 1 1 52 52 VAL HG21 H 1 0.875 0.02 . 2 . . . . 165 V HG2 . 16246 1 502 . 1 1 52 52 VAL HG22 H 1 0.875 0.02 . 2 . . . . 165 V HG2 . 16246 1 503 . 1 1 52 52 VAL HG23 H 1 0.875 0.02 . 2 . . . . 165 V HG2 . 16246 1 504 . 1 1 52 52 VAL CA C 13 59.581 0.4 . 1 . . . . 165 V CA . 16246 1 505 . 1 1 52 52 VAL CB C 13 34.21 0.4 . 1 . . . . 165 V CB . 16246 1 506 . 1 1 52 52 VAL CG1 C 13 22.467 0.4 . 2 . . . . 165 V CG1 . 16246 1 507 . 1 1 52 52 VAL CG2 C 13 19.029 0.4 . 2 . . . . 165 V CG2 . 16246 1 508 . 1 1 52 52 VAL N N 15 115.604 0.4 . 1 . . . . 165 V N . 16246 1 509 . 1 1 53 53 THR H H 1 9.28 0.02 . 1 . . . . 166 T HN . 16246 1 510 . 1 1 53 53 THR HA H 1 4.118 0.02 . 1 . . . . 166 T HA . 16246 1 511 . 1 1 53 53 THR HB H 1 4.316 0.02 . 1 . . . . 166 T HB . 16246 1 512 . 1 1 53 53 THR HG21 H 1 1.29 0.02 . 1 . . . . 166 T HG . 16246 1 513 . 1 1 53 53 THR HG22 H 1 1.29 0.02 . 1 . . . . 166 T HG . 16246 1 514 . 1 1 53 53 THR HG23 H 1 1.29 0.02 . 1 . . . . 166 T HG . 16246 1 515 . 1 1 53 53 THR CA C 13 65.463 0.4 . 1 . . . . 166 T CA . 16246 1 516 . 1 1 53 53 THR CB C 13 69.929 0.4 . 1 . . . . 166 T CB . 16246 1 517 . 1 1 53 53 THR CG2 C 13 21.903 0.4 . 1 . . . . 166 T CG . 16246 1 518 . 1 1 53 53 THR N N 15 111.309 0.4 . 1 . . . . 166 T N . 16246 1 519 . 1 1 54 54 SER H H 1 7.418 0.02 . 1 . . . . 167 S HN . 16246 1 520 . 1 1 54 54 SER HA H 1 4.895 0.02 . 1 . . . . 167 S HA . 16246 1 521 . 1 1 54 54 SER HB2 H 1 4.351 0.02 . 2 . . . . 167 S HB1 . 16246 1 522 . 1 1 54 54 SER HB3 H 1 3.962 0.02 . 2 . . . . 167 S HB2 . 16246 1 523 . 1 1 54 54 SER CA C 13 56.852 0.4 . 1 . . . . 167 S CA . 16246 1 524 . 1 1 54 54 SER CB C 13 67.534 0.4 . 1 . . . . 167 S CB . 16246 1 525 . 1 1 54 54 SER N N 15 110.781 0.4 . 1 . . . . 167 S N . 16246 1 526 . 1 1 55 55 LYS H H 1 9.108 0.02 . 1 . . . . 168 K HN . 16246 1 527 . 1 1 55 55 LYS HA H 1 4.224 0.02 . 1 . . . . 168 K HA . 16246 1 528 . 1 1 55 55 LYS HB2 H 1 1.915 0.02 . 2 . . . . 168 K HB1 . 16246 1 529 . 1 1 55 55 LYS HB3 H 1 1.846 0.02 . 2 . . . . 168 K HB2 . 16246 1 530 . 1 1 55 55 LYS HD2 H 1 1.74 0.02 . 2 . . . . 168 K HD . 16246 1 531 . 1 1 55 55 LYS HD3 H 1 1.74 0.02 . 2 . . . . 168 K HD . 16246 1 532 . 1 1 55 55 LYS HE2 H 1 3.035 0.02 . 2 . . . . 168 K HE . 16246 1 533 . 1 1 55 55 LYS HE3 H 1 3.035 0.02 . 2 . . . . 168 K HE . 16246 1 534 . 1 1 55 55 LYS HG2 H 1 1.513 0.02 . 2 . . . . 168 K HG . 16246 1 535 . 1 1 55 55 LYS HG3 H 1 1.513 0.02 . 2 . . . . 168 K HG . 16246 1 536 . 1 1 55 55 LYS CA C 13 58.964 0.4 . 1 . . . . 168 K CA . 16246 1 537 . 1 1 55 55 LYS CB C 13 32.262 0.4 . 1 . . . . 168 K CB . 16246 1 538 . 1 1 55 55 LYS CD C 13 29.64 0.4 . 1 . . . . 168 K CD . 16246 1 539 . 1 1 55 55 LYS CE C 13 42.06 0.4 . 1 . . . . 168 K CE . 16246 1 540 . 1 1 55 55 LYS CG C 13 25.142 0.4 . 1 . . . . 168 K CG . 16246 1 541 . 1 1 55 55 LYS N N 15 122.645 0.4 . 1 . . . . 168 K N . 16246 1 542 . 1 1 56 56 GLU H H 1 8.762 0.02 . 1 . . . . 169 E HN . 16246 1 543 . 1 1 56 56 GLU HA H 1 4.069 0.02 . 1 . . . . 169 E HA . 16246 1 544 . 1 1 56 56 GLU HB2 H 1 2.126 0.02 . 2 . . . . 169 E HB1 . 16246 1 545 . 1 1 56 56 GLU HB3 H 1 1.928 0.02 . 2 . . . . 169 E HB2 . 16246 1 546 . 1 1 56 56 GLU HG2 H 1 2.516 0.02 . 2 . . . . 169 E HG1 . 16246 1 547 . 1 1 56 56 GLU HG3 H 1 2.243 0.02 . 2 . . . . 169 E HG2 . 16246 1 548 . 1 1 56 56 GLU CA C 13 60.68 0.4 . 1 . . . . 169 E CA . 16246 1 549 . 1 1 56 56 GLU CB C 13 28.398 0.4 . 1 . . . . 169 E CB . 16246 1 550 . 1 1 56 56 GLU CG C 13 37.213 0.4 . 1 . . . . 169 E CG . 16246 1 551 . 1 1 56 56 GLU N N 15 121.465 0.4 . 1 . . . . 169 E N . 16246 1 552 . 1 1 57 57 ASP H H 1 8.091 0.02 . 1 . . . . 170 D HN . 16246 1 553 . 1 1 57 57 ASP HA H 1 4.587 0.02 . 1 . . . . 170 D HA . 16246 1 554 . 1 1 57 57 ASP HB2 H 1 2.87 0.02 . 2 . . . . 170 D HB1 . 16246 1 555 . 1 1 57 57 ASP HB3 H 1 2.494 0.02 . 2 . . . . 170 D HB2 . 16246 1 556 . 1 1 57 57 ASP CA C 13 57.412 0.4 . 1 . . . . 170 D CA . 16246 1 557 . 1 1 57 57 ASP CB C 13 40.537 0.4 . 1 . . . . 170 D CB . 16246 1 558 . 1 1 57 57 ASP N N 15 121.428 0.4 . 1 . . . . 170 D N . 16246 1 559 . 1 1 58 58 ALA H H 1 7.897 0.02 . 1 . . . . 171 A HN . 16246 1 560 . 1 1 58 58 ALA HA H 1 3.969 0.02 . 1 . . . . 171 A HA . 16246 1 561 . 1 1 58 58 ALA HB1 H 1 1.489 0.02 . 1 . . . . 171 A HB . 16246 1 562 . 1 1 58 58 ALA HB2 H 1 1.489 0.02 . 1 . . . . 171 A HB . 16246 1 563 . 1 1 58 58 ALA HB3 H 1 1.489 0.02 . 1 . . . . 171 A HB . 16246 1 564 . 1 1 58 58 ALA CA C 13 56.124 0.4 . 1 . . . . 171 A CA . 16246 1 565 . 1 1 58 58 ALA CB C 13 18.344 0.4 . 1 . . . . 171 A CB . 16246 1 566 . 1 1 58 58 ALA N N 15 123.034 0.4 . 1 . . . . 171 A N . 16246 1 567 . 1 1 59 59 ARG H H 1 8.107 0.02 . 1 . . . . 172 R HN . 16246 1 568 . 1 1 59 59 ARG HA H 1 3.882 0.02 . 1 . . . . 172 R HA . 16246 1 569 . 1 1 59 59 ARG HB2 H 1 1.981 0.02 . 2 . . . . 172 R HB1 . 16246 1 570 . 1 1 59 59 ARG HB3 H 1 1.769 0.02 . 2 . . . . 172 R HB2 . 16246 1 571 . 1 1 59 59 ARG HD2 H 1 3.24 0.02 . 2 . . . . 172 R HD . 16246 1 572 . 1 1 59 59 ARG HD3 H 1 3.24 0.02 . 2 . . . . 172 R HD . 16246 1 573 . 1 1 59 59 ARG HG2 H 1 1.847 0.02 . 2 . . . . 172 R HG1 . 16246 1 574 . 1 1 59 59 ARG HG3 H 1 1.687 0.02 . 2 . . . . 172 R HG2 . 16246 1 575 . 1 1 59 59 ARG CA C 13 59.599 0.4 . 1 . . . . 172 R CA . 16246 1 576 . 1 1 59 59 ARG CB C 13 29.941 0.4 . 1 . . . . 172 R CB . 16246 1 577 . 1 1 59 59 ARG CD C 13 43.364 0.4 . 1 . . . . 172 R CD . 16246 1 578 . 1 1 59 59 ARG CG C 13 27.228 0.4 . 1 . . . . 172 R CG . 16246 1 579 . 1 1 59 59 ARG N N 15 117.121 0.4 . 1 . . . . 172 R N . 16246 1 580 . 1 1 60 60 TYR H H 1 8.175 0.02 . 1 . . . . 173 Y HN . 16246 1 581 . 1 1 60 60 TYR HA H 1 4.373 0.02 . 1 . . . . 173 Y HA . 16246 1 582 . 1 1 60 60 TYR HB2 H 1 3.279 0.02 . 2 . . . . 173 Y HB1 . 16246 1 583 . 1 1 60 60 TYR HB3 H 1 3.171 0.02 . 2 . . . . 173 Y HB2 . 16246 1 584 . 1 1 60 60 TYR CA C 13 61 0.4 . 1 . . . . 173 Y CA . 16246 1 585 . 1 1 60 60 TYR CB C 13 38.761 0.4 . 1 . . . . 173 Y CB . 16246 1 586 . 1 1 60 60 TYR N N 15 121.421 0.4 . 1 . . . . 173 Y N . 16246 1 587 . 1 1 61 61 CYS H H 1 8.296 0.02 . 1 . . . . 174 C HN . 16246 1 588 . 1 1 61 61 CYS HA H 1 3.647 0.02 . 1 . . . . 174 C HA . 16246 1 589 . 1 1 61 61 CYS HB2 H 1 3.376 0.02 . 2 . . . . 174 C HB1 . 16246 1 590 . 1 1 61 61 CYS HB3 H 1 2.282 0.02 . 2 . . . . 174 C HB2 . 16246 1 591 . 1 1 61 61 CYS CA C 13 64.186 0.4 . 1 . . . . 174 C CA . 16246 1 592 . 1 1 61 61 CYS CB C 13 28.26 0.4 . 1 . . . . 174 C CB . 16246 1 593 . 1 1 61 61 CYS N N 15 115.717 0.4 . 1 . . . . 174 C N . 16246 1 594 . 1 1 62 62 VAL H H 1 7.82 0.02 . 1 . . . . 175 V HN . 16246 1 595 . 1 1 62 62 VAL HA H 1 3.34 0.02 . 1 . . . . 175 V HA . 16246 1 596 . 1 1 62 62 VAL HB H 1 2.186 0.02 . 1 . . . . 175 V HB . 16246 1 597 . 1 1 62 62 VAL HG11 H 1 1.007 0.02 . 2 . . . . 175 V HG1 . 16246 1 598 . 1 1 62 62 VAL HG12 H 1 1.007 0.02 . 2 . . . . 175 V HG1 . 16246 1 599 . 1 1 62 62 VAL HG13 H 1 1.007 0.02 . 2 . . . . 175 V HG1 . 16246 1 600 . 1 1 62 62 VAL HG21 H 1 1.007 0.02 . 2 . . . . 175 V HG2 . 16246 1 601 . 1 1 62 62 VAL HG22 H 1 1.007 0.02 . 2 . . . . 175 V HG2 . 16246 1 602 . 1 1 62 62 VAL HG23 H 1 1.007 0.02 . 2 . . . . 175 V HG2 . 16246 1 603 . 1 1 62 62 VAL CA C 13 67.251 0.4 . 1 . . . . 175 V CA . 16246 1 604 . 1 1 62 62 VAL CB C 13 31.895 0.4 . 1 . . . . 175 V CB . 16246 1 605 . 1 1 62 62 VAL CG1 C 13 23.469 0.4 . 2 . . . . 175 V CG1 . 16246 1 606 . 1 1 62 62 VAL CG2 C 13 21.432 0.4 . 2 . . . . 175 V CG2 . 16246 1 607 . 1 1 62 62 VAL N N 15 119.039 0.4 . 1 . . . . 175 V N . 16246 1 608 . 1 1 63 63 GLU H H 1 7.994 0.02 . 1 . . . . 176 E HN . 16246 1 609 . 1 1 63 63 GLU HA H 1 3.945 0.02 . 1 . . . . 176 E HA . 16246 1 610 . 1 1 63 63 GLU HB2 H 1 2.182 0.02 . 2 . . . . 176 E HB1 . 16246 1 611 . 1 1 63 63 GLU HB3 H 1 2.071 0.02 . 2 . . . . 176 E HB2 . 16246 1 612 . 1 1 63 63 GLU HG2 H 1 2.409 0.02 . 2 . . . . 176 E HG1 . 16246 1 613 . 1 1 63 63 GLU HG3 H 1 2.204 0.02 . 2 . . . . 176 E HG2 . 16246 1 614 . 1 1 63 63 GLU CA C 13 59.435 0.4 . 1 . . . . 176 E CA . 16246 1 615 . 1 1 63 63 GLU CB C 13 29.675 0.4 . 1 . . . . 176 E CB . 16246 1 616 . 1 1 63 63 GLU CG C 13 36.359 0.4 . 1 . . . . 176 E CG . 16246 1 617 . 1 1 63 63 GLU N N 15 118.489 0.4 . 1 . . . . 176 E N . 16246 1 618 . 1 1 64 64 LYS H H 1 7.947 0.02 . 1 . . . . 177 K HN . 16246 1 619 . 1 1 64 64 LYS HA H 1 4.179 0.02 . 1 . . . . 177 K HA . 16246 1 620 . 1 1 64 64 LYS HB2 H 1 1.614 0.02 . 2 . . . . 177 K HB . 16246 1 621 . 1 1 64 64 LYS HB3 H 1 1.614 0.02 . 2 . . . . 177 K HB . 16246 1 622 . 1 1 64 64 LYS HD2 H 1 1.512 0.02 . 2 . . . . 177 K HD1 . 16246 1 623 . 1 1 64 64 LYS HD3 H 1 1.446 0.02 . 2 . . . . 177 K HD2 . 16246 1 624 . 1 1 64 64 LYS HE2 H 1 2.972 0.02 . 2 . . . . 177 K HE1 . 16246 1 625 . 1 1 64 64 LYS HE3 H 1 2.787 0.02 . 2 . . . . 177 K HE2 . 16246 1 626 . 1 1 64 64 LYS HG2 H 1 1.134 0.02 . 2 . . . . 177 K HG . 16246 1 627 . 1 1 64 64 LYS HG3 H 1 1.134 0.02 . 2 . . . . 177 K HG . 16246 1 628 . 1 1 64 64 LYS CA C 13 56.191 0.4 . 1 . . . . 177 K CA . 16246 1 629 . 1 1 64 64 LYS CB C 13 33.03 0.4 . 1 . . . . 177 K CB . 16246 1 630 . 1 1 64 64 LYS CD C 13 27.372 0.4 . 1 . . . . 177 K CD . 16246 1 631 . 1 1 64 64 LYS CE C 13 42.153 0.4 . 1 . . . . 177 K CE . 16246 1 632 . 1 1 64 64 LYS CG C 13 23.643 0.4 . 1 . . . . 177 K CG . 16246 1 633 . 1 1 64 64 LYS N N 15 114.048 0.4 . 1 . . . . 177 K N . 16246 1 634 . 1 1 65 65 LEU H H 1 8.349 0.02 . 1 . . . . 178 L HN . 16246 1 635 . 1 1 65 65 LEU HA H 1 4.538 0.02 . 1 . . . . 178 L HA . 16246 1 636 . 1 1 65 65 LEU HB2 H 1 1.885 0.02 . 2 . . . . 178 L HB1 . 16246 1 637 . 1 1 65 65 LEU HB3 H 1 1.39 0.02 . 2 . . . . 178 L HB2 . 16246 1 638 . 1 1 65 65 LEU HD11 H 1 0.706 0.02 . 2 . . . . 178 L HD1 . 16246 1 639 . 1 1 65 65 LEU HD12 H 1 0.706 0.02 . 2 . . . . 178 L HD1 . 16246 1 640 . 1 1 65 65 LEU HD13 H 1 0.706 0.02 . 2 . . . . 178 L HD1 . 16246 1 641 . 1 1 65 65 LEU HD21 H 1 0.645 0.02 . 2 . . . . 178 L HD2 . 16246 1 642 . 1 1 65 65 LEU HD22 H 1 0.645 0.02 . 2 . . . . 178 L HD2 . 16246 1 643 . 1 1 65 65 LEU HD23 H 1 0.645 0.02 . 2 . . . . 178 L HD2 . 16246 1 644 . 1 1 65 65 LEU HG H 1 1.563 0.02 . 1 . . . . 178 L HG . 16246 1 645 . 1 1 65 65 LEU CA C 13 55.351 0.4 . 1 . . . . 178 L CA . 16246 1 646 . 1 1 65 65 LEU CB C 13 42.953 0.4 . 1 . . . . 178 L CB . 16246 1 647 . 1 1 65 65 LEU CD1 C 13 25.082 0.4 . 2 . . . . 178 L CD1 . 16246 1 648 . 1 1 65 65 LEU CD2 C 13 25.082 0.4 . 2 . . . . 178 L CD2 . 16246 1 649 . 1 1 65 65 LEU CG C 13 26.041 0.4 . 1 . . . . 178 L CG . 16246 1 650 . 1 1 65 65 LEU N N 15 115.532 0.4 . 1 . . . . 178 L N . 16246 1 651 . 1 1 66 66 ASN H H 1 8.025 0.02 . 1 . . . . 179 N HN . 16246 1 652 . 1 1 66 66 ASN HA H 1 4.388 0.02 . 1 . . . . 179 N HA . 16246 1 653 . 1 1 66 66 ASN HB2 H 1 3.076 0.02 . 2 . . . . 179 N HB . 16246 1 654 . 1 1 66 66 ASN HB3 H 1 3.076 0.02 . 2 . . . . 179 N HB . 16246 1 655 . 1 1 66 66 ASN HD21 H 1 7.719 0.02 . 2 . . . . 179 N HD21 . 16246 1 656 . 1 1 66 66 ASN HD22 H 1 6.836 0.02 . 2 . . . . 179 N HD22 . 16246 1 657 . 1 1 66 66 ASN CA C 13 56.482 0.4 . 1 . . . . 179 N CA . 16246 1 658 . 1 1 66 66 ASN CB C 13 39.144 0.4 . 1 . . . . 179 N CB . 16246 1 659 . 1 1 66 66 ASN N N 15 116.423 0.4 . 1 . . . . 179 N N . 16246 1 660 . 1 1 66 66 ASN ND2 N 15 114.042 0.4 . 1 . . . . 179 N ND . 16246 1 661 . 1 1 67 67 GLY H H 1 8.934 0.02 . 1 . . . . 180 G HN . 16246 1 662 . 1 1 67 67 GLY HA2 H 1 4.265 0.02 . 2 . . . . 180 G HA1 . 16246 1 663 . 1 1 67 67 GLY HA3 H 1 3.514 0.02 . 2 . . . . 180 G HA2 . 16246 1 664 . 1 1 67 67 GLY CA C 13 45.386 0.4 . 1 . . . . 180 G CA . 16246 1 665 . 1 1 67 67 GLY N N 15 116.901 0.4 . 1 . . . . 180 G N . 16246 1 666 . 1 1 68 68 LEU H H 1 7.484 0.02 . 1 . . . . 181 L HN . 16246 1 667 . 1 1 68 68 LEU HA H 1 4.126 0.02 . 1 . . . . 181 L HA . 16246 1 668 . 1 1 68 68 LEU HB2 H 1 1.835 0.02 . 2 . . . . 181 L HB1 . 16246 1 669 . 1 1 68 68 LEU HB3 H 1 1.612 0.02 . 2 . . . . 181 L HB2 . 16246 1 670 . 1 1 68 68 LEU HD11 H 1 0.998 0.02 . 2 . . . . 181 L HD1 . 16246 1 671 . 1 1 68 68 LEU HD12 H 1 0.998 0.02 . 2 . . . . 181 L HD1 . 16246 1 672 . 1 1 68 68 LEU HD13 H 1 0.998 0.02 . 2 . . . . 181 L HD1 . 16246 1 673 . 1 1 68 68 LEU HD21 H 1 0.908 0.02 . 2 . . . . 181 L HD2 . 16246 1 674 . 1 1 68 68 LEU HD22 H 1 0.908 0.02 . 2 . . . . 181 L HD2 . 16246 1 675 . 1 1 68 68 LEU HD23 H 1 0.908 0.02 . 2 . . . . 181 L HD2 . 16246 1 676 . 1 1 68 68 LEU HG H 1 1.586 0.02 . 1 . . . . 181 L HG . 16246 1 677 . 1 1 68 68 LEU CA C 13 55.95 0.4 . 1 . . . . 181 L CA . 16246 1 678 . 1 1 68 68 LEU CB C 13 43.632 0.4 . 1 . . . . 181 L CB . 16246 1 679 . 1 1 68 68 LEU CD1 C 13 24.078 0.4 . 2 . . . . 181 L CD1 . 16246 1 680 . 1 1 68 68 LEU CD2 C 13 24.078 0.4 . 2 . . . . 181 L CD2 . 16246 1 681 . 1 1 68 68 LEU CG C 13 26.497 0.4 . 1 . . . . 181 L CG . 16246 1 682 . 1 1 68 68 LEU N N 15 123.727 0.4 . 1 . . . . 181 L N . 16246 1 683 . 1 1 69 69 LYS H H 1 8.272 0.02 . 1 . . . . 182 K HN . 16246 1 684 . 1 1 69 69 LYS HA H 1 5.144 0.02 . 1 . . . . 182 K HA . 16246 1 685 . 1 1 69 69 LYS HB2 H 1 1.72 0.02 . 2 . . . . 182 K HB1 . 16246 1 686 . 1 1 69 69 LYS HB3 H 1 1.662 0.02 . 2 . . . . 182 K HB2 . 16246 1 687 . 1 1 69 69 LYS HD2 H 1 1.601 0.02 . 2 . . . . 182 K HD . 16246 1 688 . 1 1 69 69 LYS HD3 H 1 1.601 0.02 . 2 . . . . 182 K HD . 16246 1 689 . 1 1 69 69 LYS HE2 H 1 2.923 0.02 . 2 . . . . 182 K HE . 16246 1 690 . 1 1 69 69 LYS HE3 H 1 2.923 0.02 . 2 . . . . 182 K HE . 16246 1 691 . 1 1 69 69 LYS HG2 H 1 1.361 0.02 . 2 . . . . 182 K HG . 16246 1 692 . 1 1 69 69 LYS HG3 H 1 1.361 0.02 . 2 . . . . 182 K HG . 16246 1 693 . 1 1 69 69 LYS CA C 13 55.301 0.4 . 1 . . . . 182 K CA . 16246 1 694 . 1 1 69 69 LYS CB C 13 32.618 0.4 . 1 . . . . 182 K CB . 16246 1 695 . 1 1 69 69 LYS CD C 13 29.157 0.4 . 1 . . . . 182 K CD . 16246 1 696 . 1 1 69 69 LYS CE C 13 42.005 0.4 . 1 . . . . 182 K CE . 16246 1 697 . 1 1 69 69 LYS CG C 13 24.896 0.4 . 1 . . . . 182 K CG . 16246 1 698 . 1 1 69 69 LYS N N 15 125.725 0.4 . 1 . . . . 182 K N . 16246 1 699 . 1 1 70 70 ILE H H 1 9.06 0.02 . 1 . . . . 183 I HN . 16246 1 700 . 1 1 70 70 ILE HA H 1 4.343 0.02 . 1 . . . . 183 I HA . 16246 1 701 . 1 1 70 70 ILE HB H 1 1.725 0.02 . 1 . . . . 183 I HB . 16246 1 702 . 1 1 70 70 ILE HD11 H 1 0.933 0.02 . 1 . . . . 183 I HD . 16246 1 703 . 1 1 70 70 ILE HD12 H 1 0.933 0.02 . 1 . . . . 183 I HD . 16246 1 704 . 1 1 70 70 ILE HD13 H 1 0.933 0.02 . 1 . . . . 183 I HD . 16246 1 705 . 1 1 70 70 ILE HG12 H 1 1.527 0.02 . 2 . . . . 183 I HG11 . 16246 1 706 . 1 1 70 70 ILE HG13 H 1 1.094 0.02 . 2 . . . . 183 I HG12 . 16246 1 707 . 1 1 70 70 ILE HG21 H 1 0.94 0.02 . 1 . . . . 183 I HG2 . 16246 1 708 . 1 1 70 70 ILE HG22 H 1 0.94 0.02 . 1 . . . . 183 I HG2 . 16246 1 709 . 1 1 70 70 ILE HG23 H 1 0.94 0.02 . 1 . . . . 183 I HG2 . 16246 1 710 . 1 1 70 70 ILE CA C 13 60.096 0.4 . 1 . . . . 183 I CA . 16246 1 711 . 1 1 70 70 ILE CB C 13 40.657 0.4 . 1 . . . . 183 I CB . 16246 1 712 . 1 1 70 70 ILE CD1 C 13 14.159 0.4 . 1 . . . . 183 I CD . 16246 1 713 . 1 1 70 70 ILE CG1 C 13 26.579 0.4 . 1 . . . . 183 I CG1 . 16246 1 714 . 1 1 70 70 ILE CG2 C 13 18.134 0.4 . 1 . . . . 183 I CG2 . 16246 1 715 . 1 1 70 70 ILE N N 15 126.331 0.4 . 1 . . . . 183 I N . 16246 1 716 . 1 1 71 71 GLU H H 1 9.232 0.02 . 1 . . . . 184 E HN . 16246 1 717 . 1 1 71 71 GLU HA H 1 3.863 0.02 . 1 . . . . 184 E HA . 16246 1 718 . 1 1 71 71 GLU HB2 H 1 2.354 0.02 . 2 . . . . 184 E HB1 . 16246 1 719 . 1 1 71 71 GLU HB3 H 1 2.164 0.02 . 2 . . . . 184 E HB2 . 16246 1 720 . 1 1 71 71 GLU HG2 H 1 2.34 0.02 . 2 . . . . 184 E HG . 16246 1 721 . 1 1 71 71 GLU HG3 H 1 2.34 0.02 . 2 . . . . 184 E HG . 16246 1 722 . 1 1 71 71 GLU CA C 13 57.394 0.4 . 1 . . . . 184 E CA . 16246 1 723 . 1 1 71 71 GLU CB C 13 27.973 0.4 . 1 . . . . 184 E CB . 16246 1 724 . 1 1 71 71 GLU CG C 13 36.863 0.4 . 1 . . . . 184 E CG . 16246 1 725 . 1 1 71 71 GLU N N 15 124.07 0.4 . 1 . . . . 184 E N . 16246 1 726 . 1 1 72 72 GLY H H 1 8.302 0.02 . 1 . . . . 185 G HN . 16246 1 727 . 1 1 72 72 GLY HA2 H 1 4.033 0.02 . 2 . . . . 185 G HA1 . 16246 1 728 . 1 1 72 72 GLY HA3 H 1 3.501 0.02 . 2 . . . . 185 G HA2 . 16246 1 729 . 1 1 72 72 GLY CA C 13 45.314 0.4 . 1 . . . . 185 G CA . 16246 1 730 . 1 1 72 72 GLY N N 15 103.606 0.4 . 1 . . . . 185 G N . 16246 1 731 . 1 1 73 73 TYR H H 1 8.482 0.02 . 1 . . . . 186 Y HN . 16246 1 732 . 1 1 73 73 TYR HA H 1 4.26 0.02 . 1 . . . . 186 Y HA . 16246 1 733 . 1 1 73 73 TYR HB2 H 1 3.107 0.02 . 2 . . . . 186 Y HB1 . 16246 1 734 . 1 1 73 73 TYR HB3 H 1 2.987 0.02 . 2 . . . . 186 Y HB2 . 16246 1 735 . 1 1 73 73 TYR CA C 13 58.312 0.4 . 1 . . . . 186 Y CA . 16246 1 736 . 1 1 73 73 TYR CB C 13 38.752 0.4 . 1 . . . . 186 Y CB . 16246 1 737 . 1 1 73 73 TYR N N 15 123.188 0.4 . 1 . . . . 186 Y N . 16246 1 738 . 1 1 74 74 THR H H 1 8.264 0.02 . 1 . . . . 187 T HN . 16246 1 739 . 1 1 74 74 THR HA H 1 4.561 0.02 . 1 . . . . 187 T HA . 16246 1 740 . 1 1 74 74 THR HB H 1 3.994 0.02 . 1 . . . . 187 T HB . 16246 1 741 . 1 1 74 74 THR HG21 H 1 1.08 0.02 . 1 . . . . 187 T HG . 16246 1 742 . 1 1 74 74 THR HG22 H 1 1.08 0.02 . 1 . . . . 187 T HG . 16246 1 743 . 1 1 74 74 THR HG23 H 1 1.08 0.02 . 1 . . . . 187 T HG . 16246 1 744 . 1 1 74 74 THR CA C 13 62.268 0.4 . 1 . . . . 187 T CA . 16246 1 745 . 1 1 74 74 THR CB C 13 68.746 0.4 . 1 . . . . 187 T CB . 16246 1 746 . 1 1 74 74 THR CG2 C 13 21.528 0.4 . 1 . . . . 187 T CG . 16246 1 747 . 1 1 74 74 THR N N 15 118.873 0.4 . 1 . . . . 187 T N . 16246 1 748 . 1 1 75 75 LEU H H 1 9.128 0.02 . 1 . . . . 188 L HN . 16246 1 749 . 1 1 75 75 LEU HA H 1 4.181 0.02 . 1 . . . . 188 L HA . 16246 1 750 . 1 1 75 75 LEU HB2 H 1 1.886 0.02 . 2 . . . . 188 L HB1 . 16246 1 751 . 1 1 75 75 LEU HB3 H 1 1.792 0.02 . 2 . . . . 188 L HB2 . 16246 1 752 . 1 1 75 75 LEU HD11 H 1 0.976 0.02 . 2 . . . . 188 L HD1 . 16246 1 753 . 1 1 75 75 LEU HD12 H 1 0.976 0.02 . 2 . . . . 188 L HD1 . 16246 1 754 . 1 1 75 75 LEU HD13 H 1 0.976 0.02 . 2 . . . . 188 L HD1 . 16246 1 755 . 1 1 75 75 LEU HD21 H 1 0.909 0.02 . 2 . . . . 188 L HD2 . 16246 1 756 . 1 1 75 75 LEU HD22 H 1 0.909 0.02 . 2 . . . . 188 L HD2 . 16246 1 757 . 1 1 75 75 LEU HD23 H 1 0.909 0.02 . 2 . . . . 188 L HD2 . 16246 1 758 . 1 1 75 75 LEU HG H 1 1.791 0.02 . 1 . . . . 188 L HG . 16246 1 759 . 1 1 75 75 LEU CA C 13 56.642 0.4 . 1 . . . . 188 L CA . 16246 1 760 . 1 1 75 75 LEU CB C 13 43.955 0.4 . 1 . . . . 188 L CB . 16246 1 761 . 1 1 75 75 LEU CD1 C 13 25.137 0.4 . 2 . . . . 188 L CD1 . 16246 1 762 . 1 1 75 75 LEU CD2 C 13 25.137 0.4 . 2 . . . . 188 L CD2 . 16246 1 763 . 1 1 75 75 LEU CG C 13 27.664 0.4 . 1 . . . . 188 L CG . 16246 1 764 . 1 1 75 75 LEU N N 15 130.938 0.4 . 1 . . . . 188 L N . 16246 1 765 . 1 1 76 76 VAL H H 1 8.115 0.02 . 1 . . . . 189 V HN . 16246 1 766 . 1 1 76 76 VAL HA H 1 4.675 0.02 . 1 . . . . 189 V HA . 16246 1 767 . 1 1 76 76 VAL HB H 1 1.776 0.02 . 1 . . . . 189 V HB . 16246 1 768 . 1 1 76 76 VAL HG11 H 1 0.984 0.02 . 2 . . . . 189 V HG1 . 16246 1 769 . 1 1 76 76 VAL HG12 H 1 0.984 0.02 . 2 . . . . 189 V HG1 . 16246 1 770 . 1 1 76 76 VAL HG13 H 1 0.984 0.02 . 2 . . . . 189 V HG1 . 16246 1 771 . 1 1 76 76 VAL HG21 H 1 0.941 0.02 . 2 . . . . 189 V HG2 . 16246 1 772 . 1 1 76 76 VAL HG22 H 1 0.941 0.02 . 2 . . . . 189 V HG2 . 16246 1 773 . 1 1 76 76 VAL HG23 H 1 0.941 0.02 . 2 . . . . 189 V HG2 . 16246 1 774 . 1 1 76 76 VAL CA C 13 61.334 0.4 . 1 . . . . 189 V CA . 16246 1 775 . 1 1 76 76 VAL CB C 13 33.994 0.4 . 1 . . . . 189 V CB . 16246 1 776 . 1 1 76 76 VAL CG1 C 13 20.819 0.4 . 2 . . . . 189 V CG1 . 16246 1 777 . 1 1 76 76 VAL CG2 C 13 20.819 0.4 . 2 . . . . 189 V CG2 . 16246 1 778 . 1 1 76 76 VAL N N 15 124.98 0.4 . 1 . . . . 189 V N . 16246 1 779 . 1 1 77 77 THR H H 1 8.713 0.02 . 1 . . . . 190 T HN . 16246 1 780 . 1 1 77 77 THR HA H 1 5.213 0.02 . 1 . . . . 190 T HA . 16246 1 781 . 1 1 77 77 THR HB H 1 3.707 0.02 . 1 . . . . 190 T HB . 16246 1 782 . 1 1 77 77 THR HG21 H 1 0.987 0.02 . 1 . . . . 190 T HG . 16246 1 783 . 1 1 77 77 THR HG22 H 1 0.987 0.02 . 1 . . . . 190 T HG . 16246 1 784 . 1 1 77 77 THR HG23 H 1 0.987 0.02 . 1 . . . . 190 T HG . 16246 1 785 . 1 1 77 77 THR CA C 13 61.448 0.4 . 1 . . . . 190 T CA . 16246 1 786 . 1 1 77 77 THR CB C 13 71.978 0.4 . 1 . . . . 190 T CB . 16246 1 787 . 1 1 77 77 THR CG2 C 13 21.99 0.4 . 1 . . . . 190 T CG . 16246 1 788 . 1 1 77 77 THR N N 15 121.364 0.4 . 1 . . . . 190 T N . 16246 1 789 . 1 1 78 78 LYS H H 1 8.693 0.02 . 1 . . . . 191 K HN . 16246 1 790 . 1 1 78 78 LYS HA H 1 4.662 0.02 . 1 . . . . 191 K HA . 16246 1 791 . 1 1 78 78 LYS HB2 H 1 1.645 0.02 . 2 . . . . 191 K HB . 16246 1 792 . 1 1 78 78 LYS HB3 H 1 1.645 0.02 . 2 . . . . 191 K HB . 16246 1 793 . 1 1 78 78 LYS HD2 H 1 1.338 0.02 . 2 . . . . 191 K HD . 16246 1 794 . 1 1 78 78 LYS HD3 H 1 1.338 0.02 . 2 . . . . 191 K HD . 16246 1 795 . 1 1 78 78 LYS HE2 H 1 2.898 0.02 . 2 . . . . 191 K HE . 16246 1 796 . 1 1 78 78 LYS HE3 H 1 2.898 0.02 . 2 . . . . 191 K HE . 16246 1 797 . 1 1 78 78 LYS HG2 H 1 1.162 0.02 . 2 . . . . 191 K HG . 16246 1 798 . 1 1 78 78 LYS HG3 H 1 1.162 0.02 . 2 . . . . 191 K HG . 16246 1 799 . 1 1 78 78 LYS CA C 13 54.688 0.4 . 1 . . . . 191 K CA . 16246 1 800 . 1 1 78 78 LYS CB C 13 37.123 0.4 . 1 . . . . 191 K CB . 16246 1 801 . 1 1 78 78 LYS CD C 13 29.339 0.4 . 1 . . . . 191 K CD . 16246 1 802 . 1 1 78 78 LYS CE C 13 42.101 0.4 . 1 . . . . 191 K CE . 16246 1 803 . 1 1 78 78 LYS CG C 13 24.482 0.4 . 1 . . . . 191 K CG . 16246 1 804 . 1 1 78 78 LYS N N 15 123.135 0.4 . 1 . . . . 191 K N . 16246 1 805 . 1 1 79 79 VAL H H 1 8.486 0.02 . 1 . . . . 192 V HN . 16246 1 806 . 1 1 79 79 VAL HA H 1 4.095 0.02 . 1 . . . . 192 V HA . 16246 1 807 . 1 1 79 79 VAL HB H 1 2.015 0.02 . 1 . . . . 192 V HB . 16246 1 808 . 1 1 79 79 VAL HG11 H 1 1.019 0.02 . 2 . . . . 192 V HG1 . 16246 1 809 . 1 1 79 79 VAL HG12 H 1 1.019 0.02 . 2 . . . . 192 V HG1 . 16246 1 810 . 1 1 79 79 VAL HG13 H 1 1.019 0.02 . 2 . . . . 192 V HG1 . 16246 1 811 . 1 1 79 79 VAL HG21 H 1 0.963 0.02 . 2 . . . . 192 V HG2 . 16246 1 812 . 1 1 79 79 VAL HG22 H 1 0.963 0.02 . 2 . . . . 192 V HG2 . 16246 1 813 . 1 1 79 79 VAL HG23 H 1 0.963 0.02 . 2 . . . . 192 V HG2 . 16246 1 814 . 1 1 79 79 VAL CA C 13 64.044 0.4 . 1 . . . . 192 V CA . 16246 1 815 . 1 1 79 79 VAL CB C 13 32.013 0.4 . 1 . . . . 192 V CB . 16246 1 816 . 1 1 79 79 VAL CG1 C 13 22.04 0.4 . 2 . . . . 192 V CG1 . 16246 1 817 . 1 1 79 79 VAL CG2 C 13 22.04 0.4 . 2 . . . . 192 V CG2 . 16246 1 818 . 1 1 79 79 VAL N N 15 121.081 0.4 . 1 . . . . 192 V N . 16246 1 819 . 1 1 80 80 SER H H 1 8.782 0.02 . 1 . . . . 193 S HN . 16246 1 820 . 1 1 80 80 SER HA H 1 4.275 0.02 . 1 . . . . 193 S HA . 16246 1 821 . 1 1 80 80 SER HB2 H 1 4.04 0.02 . 2 . . . . 193 S HB1 . 16246 1 822 . 1 1 80 80 SER HB3 H 1 3.503 0.02 . 2 . . . . 193 S HB2 . 16246 1 823 . 1 1 80 80 SER CA C 13 58.849 0.4 . 1 . . . . 193 S CA . 16246 1 824 . 1 1 80 80 SER CB C 13 64.381 0.4 . 1 . . . . 193 S CB . 16246 1 825 . 1 1 80 80 SER N N 15 122.665 0.4 . 1 . . . . 193 S N . 16246 1 826 . 1 1 81 81 ASN H H 1 8.483 0.02 . 1 . . . . 194 N HN . 16246 1 827 . 1 1 81 81 ASN CA C 13 50.962 0.4 . 1 . . . . 194 N CA . 16246 1 828 . 1 1 81 81 ASN CB C 13 38.482 0.4 . 1 . . . . 194 N CB . 16246 1 829 . 1 1 81 81 ASN N N 15 123.16 0.4 . 1 . . . . 194 N N . 16246 1 830 . 1 1 82 82 PRO HA H 1 3.664 0.02 . 1 . . . . 195 P HA . 16246 1 831 . 1 1 82 82 PRO HB2 H 1 1.547 0.02 . 2 . . . . 195 P HB1 . 16246 1 832 . 1 1 82 82 PRO HB3 H 1 1.496 0.02 . 2 . . . . 195 P HB2 . 16246 1 833 . 1 1 82 82 PRO HD2 H 1 3.008 0.02 . 2 . . . . 195 P HD . 16246 1 834 . 1 1 82 82 PRO HD3 H 1 3.008 0.02 . 2 . . . . 195 P HD . 16246 1 835 . 1 1 82 82 PRO HG2 H 1 1.64 0.02 . 2 . . . . 195 P HG1 . 16246 1 836 . 1 1 82 82 PRO HG3 H 1 1.563 0.02 . 2 . . . . 195 P HG2 . 16246 1 837 . 1 1 82 82 PRO CA C 13 64.37 0.4 . 1 . . . . 195 P CA . 16246 1 838 . 1 1 82 82 PRO CB C 13 31.411 0.4 . 1 . . . . 195 P CB . 16246 1 839 . 1 1 82 82 PRO CD C 13 50.972 0.4 . 1 . . . . 195 P CD . 16246 1 840 . 1 1 82 82 PRO CG C 13 27.083 0.4 . 1 . . . . 195 P CG . 16246 1 841 . 1 1 83 83 LEU H H 1 7.988 0.02 . 1 . . . . 196 L HN . 16246 1 842 . 1 1 83 83 LEU HA H 1 4.221 0.02 . 1 . . . . 196 L HA . 16246 1 843 . 1 1 83 83 LEU HB2 H 1 1.601 0.02 . 2 . . . . 196 L HB . 16246 1 844 . 1 1 83 83 LEU HB3 H 1 1.601 0.02 . 2 . . . . 196 L HB . 16246 1 845 . 1 1 83 83 LEU HG H 1 0.869 0.02 . 1 . . . . 196 L HG . 16246 1 846 . 1 1 83 83 LEU CA C 13 55.724 0.4 . 1 . . . . 196 L CA . 16246 1 847 . 1 1 83 83 LEU CB C 13 41.649 0.4 . 1 . . . . 196 L CB . 16246 1 848 . 1 1 83 83 LEU CD1 C 13 24.976 0.4 . 2 . . . . 196 L CD1 . 16246 1 849 . 1 1 83 83 LEU CD2 C 13 22.95 0.4 . 2 . . . . 196 L CD2 . 16246 1 850 . 1 1 83 83 LEU CG C 13 27.271 0.4 . 1 . . . . 196 L CG . 16246 1 851 . 1 1 83 83 LEU N N 15 118.095 0.4 . 1 . . . . 196 L N . 16246 1 852 . 1 1 84 84 GLU H H 1 7.825 0.02 . 1 . . . . 197 E HN . 16246 1 853 . 1 1 84 84 GLU HA H 1 4.215 0.02 . 1 . . . . 197 E HA . 16246 1 854 . 1 1 84 84 GLU HB2 H 1 1.986 0.02 . 2 . . . . 197 E HB . 16246 1 855 . 1 1 84 84 GLU HB3 H 1 1.986 0.02 . 2 . . . . 197 E HB . 16246 1 856 . 1 1 84 84 GLU HG2 H 1 2.148 0.02 . 2 . . . . 197 E HG . 16246 1 857 . 1 1 84 84 GLU HG3 H 1 2.148 0.02 . 2 . . . . 197 E HG . 16246 1 858 . 1 1 84 84 GLU CA C 13 56.265 0.4 . 1 . . . . 197 E CA . 16246 1 859 . 1 1 84 84 GLU CB C 13 30.449 0.4 . 1 . . . . 197 E CB . 16246 1 860 . 1 1 84 84 GLU CG C 13 36.547 0.4 . 1 . . . . 197 E CG . 16246 1 861 . 1 1 84 84 GLU N N 15 119.682 0.4 . 1 . . . . 197 E N . 16246 1 stop_ save_