data_16567 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16567 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for the RNA recognition motif of Nab3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-19 _Entry.Accession_date 2009-10-19 _Entry.Last_release_date 2010-05-04 _Entry.Original_release_date 2010-05-04 _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 Richard Stefl . . . 16567 2 Karel Kubicek . . . 16567 3 Roberto Pergoli . . . 16567 4 Fruzsina Hobor . . . 16567 5 Josef Pasulka . . . 16567 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16567 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 201 16567 '15N chemical shifts' 60 16567 '1H chemical shifts' 376 16567 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-05-04 2009-10-19 original author . 16567 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16567 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20309651 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N chemical shift assignments for the RNA recognition motif of Nab3.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 1 _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 119 _Citation.Page_last 121 _Citation.Year 2010 _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 Roberto Pergoli . . . 16567 1 2 Karel Kubicek . . . 16567 1 3 Fruzsina Hobor . . . 16567 1 4 Josef Pasulka . . . 16567 1 5 Richard Stefl . . . 16567 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16567 _Assembly.ID 1 _Assembly.Name 'Nab3 RRM' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'subunit 1' 1 $RNA_binding_polypeptide A . yes native no no . . . 16567 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_binding_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode RNA_binding_polypeptide _Entity.Entry_ID 16567 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_binding_polypeptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTEMHNIPPKSRLFIGNLPL KNVSKEDLFRIFSPYGHIMQ INIKNAFGFIQFDNPQSVRD AIECESQEMNFGKKLILEVS SSNARPQFDHGDHGTNLEHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 PDB 2KVI . "Structure Of Nab3 Rrm" . . . . . 92.31 96 100.00 100.00 2.39e-63 . . . . 16567 1 2 no PDB 2L41 . "Nab3 Rrm - Ucuu Complex" . . . . . 74.04 77 100.00 100.00 1.97e-47 . . . . 16567 1 3 no PDB 2XNQ . "Structural Insights Into Cis Element Recognition Of Non- Polyadenylated Rnas By The Nab3-Rrm" . . . . . 73.08 97 98.68 98.68 2.52e-44 . . . . 16567 1 4 no PDB 2XNR . "Structural Insights Into Cis Element Recognition Of Non- Polyadenylated Rnas By The Nab3-Rrm" . . . . . 73.08 97 100.00 100.00 6.62e-46 . . . . 16567 1 5 no DBJ BAA07154 . "RNA binding protein [Saccharomyces cerevisiae]" . . . . . 92.31 802 97.92 98.96 1.18e-57 . . . . 16567 1 6 no DBJ GAA26786 . "K7_Nab3p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 92.31 800 98.96 100.00 4.49e-59 . . . . 16567 1 7 no EMBL CAA97903 . "NAB3 [Saccharomyces cerevisiae]" . . . . . 92.31 802 98.96 100.00 4.80e-59 . . . . 16567 1 8 no EMBL CAY86769 . "Nab3p [Saccharomyces cerevisiae EC1118]" . . . . . 92.31 800 97.92 98.96 3.43e-58 . . . . 16567 1 9 no GB AAA81910 . "Nab3p [Saccharomyces cerevisiae]" . . . . . 92.31 802 98.96 100.00 4.80e-59 . . . . 16567 1 10 no GB AHY77991 . "Nab3p [Saccharomyces cerevisiae YJM993]" . . . . . 92.31 802 98.96 100.00 4.62e-59 . . . . 16567 1 11 no GB AJP41959 . "Nab3p [Saccharomyces cerevisiae YJM1078]" . . . . . 92.31 801 98.96 100.00 5.07e-59 . . . . 16567 1 12 no GB AJU23403 . "Nab3p [Saccharomyces cerevisiae YJM1526]" . . . . . 92.31 801 98.96 100.00 5.07e-59 . . . . 16567 1 13 no GB AJU24091 . "Nab3p [Saccharomyces cerevisiae YJM1549]" . . . . . 92.31 801 98.96 100.00 5.07e-59 . . . . 16567 1 14 no PRF 2201484A . "dosage-dependent suppressor" . . . . . 92.31 802 97.92 98.96 1.18e-57 . . . . 16567 1 15 no REF NP_015134 . "Nab3p [Saccharomyces cerevisiae S288c]" . . . . . 92.31 802 98.96 100.00 4.80e-59 . . . . 16567 1 16 no SP P38996 . "RecName: Full=Nuclear polyadenylated RNA-binding protein 3" . . . . . 92.31 802 98.96 100.00 4.80e-59 . . . . 16567 1 17 no TPG DAA11244 . "TPA: Nab3p [Saccharomyces cerevisiae S288c]" . . . . . 92.31 802 98.96 100.00 4.80e-59 . . . . 16567 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 4 MET . 16567 1 2 5 THR . 16567 1 3 6 GLU . 16567 1 4 7 MET . 16567 1 5 8 HIS . 16567 1 6 9 ASN . 16567 1 7 10 ILE . 16567 1 8 11 PRO . 16567 1 9 12 PRO . 16567 1 10 13 LYS . 16567 1 11 14 SER . 16567 1 12 15 ARG . 16567 1 13 16 LEU . 16567 1 14 17 PHE . 16567 1 15 18 ILE . 16567 1 16 19 GLY . 16567 1 17 20 ASN . 16567 1 18 21 LEU . 16567 1 19 22 PRO . 16567 1 20 23 LEU . 16567 1 21 24 LYS . 16567 1 22 25 ASN . 16567 1 23 26 VAL . 16567 1 24 27 SER . 16567 1 25 28 LYS . 16567 1 26 29 GLU . 16567 1 27 30 ASP . 16567 1 28 31 LEU . 16567 1 29 32 PHE . 16567 1 30 33 ARG . 16567 1 31 34 ILE . 16567 1 32 35 PHE . 16567 1 33 36 SER . 16567 1 34 37 PRO . 16567 1 35 38 TYR . 16567 1 36 39 GLY . 16567 1 37 40 HIS . 16567 1 38 41 ILE . 16567 1 39 42 MET . 16567 1 40 43 GLN . 16567 1 41 44 ILE . 16567 1 42 45 ASN . 16567 1 43 46 ILE . 16567 1 44 47 LYS . 16567 1 45 48 ASN . 16567 1 46 49 ALA . 16567 1 47 50 PHE . 16567 1 48 51 GLY . 16567 1 49 52 PHE . 16567 1 50 53 ILE . 16567 1 51 54 GLN . 16567 1 52 55 PHE . 16567 1 53 56 ASP . 16567 1 54 57 ASN . 16567 1 55 58 PRO . 16567 1 56 59 GLN . 16567 1 57 60 SER . 16567 1 58 61 VAL . 16567 1 59 62 ARG . 16567 1 60 63 ASP . 16567 1 61 64 ALA . 16567 1 62 65 ILE . 16567 1 63 66 GLU . 16567 1 64 67 CYS . 16567 1 65 68 GLU . 16567 1 66 69 SER . 16567 1 67 70 GLN . 16567 1 68 71 GLU . 16567 1 69 72 MET . 16567 1 70 73 ASN . 16567 1 71 74 PHE . 16567 1 72 75 GLY . 16567 1 73 76 LYS . 16567 1 74 77 LYS . 16567 1 75 78 LEU . 16567 1 76 79 ILE . 16567 1 77 80 LEU . 16567 1 78 81 GLU . 16567 1 79 82 VAL . 16567 1 80 83 SER . 16567 1 81 84 SER . 16567 1 82 85 SER . 16567 1 83 86 ASN . 16567 1 84 87 ALA . 16567 1 85 88 ARG . 16567 1 86 89 PRO . 16567 1 87 90 GLN . 16567 1 88 91 PHE . 16567 1 89 92 ASP . 16567 1 90 93 HIS . 16567 1 91 94 GLY . 16567 1 92 95 ASP . 16567 1 93 96 HIS . 16567 1 94 97 GLY . 16567 1 95 98 THR . 16567 1 96 99 ASN . 16567 1 97 100 LEU . 16567 1 98 101 GLU . 16567 1 99 102 HIS . 16567 1 100 103 HIS . 16567 1 101 104 HIS . 16567 1 102 105 HIS . 16567 1 103 106 HIS . 16567 1 104 107 HIS . 16567 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 16567 1 . THR 2 2 16567 1 . GLU 3 3 16567 1 . MET 4 4 16567 1 . HIS 5 5 16567 1 . ASN 6 6 16567 1 . ILE 7 7 16567 1 . PRO 8 8 16567 1 . PRO 9 9 16567 1 . LYS 10 10 16567 1 . SER 11 11 16567 1 . ARG 12 12 16567 1 . LEU 13 13 16567 1 . PHE 14 14 16567 1 . ILE 15 15 16567 1 . GLY 16 16 16567 1 . ASN 17 17 16567 1 . LEU 18 18 16567 1 . PRO 19 19 16567 1 . LEU 20 20 16567 1 . LYS 21 21 16567 1 . ASN 22 22 16567 1 . VAL 23 23 16567 1 . SER 24 24 16567 1 . LYS 25 25 16567 1 . GLU 26 26 16567 1 . ASP 27 27 16567 1 . LEU 28 28 16567 1 . PHE 29 29 16567 1 . ARG 30 30 16567 1 . ILE 31 31 16567 1 . PHE 32 32 16567 1 . SER 33 33 16567 1 . PRO 34 34 16567 1 . TYR 35 35 16567 1 . GLY 36 36 16567 1 . HIS 37 37 16567 1 . ILE 38 38 16567 1 . MET 39 39 16567 1 . GLN 40 40 16567 1 . ILE 41 41 16567 1 . ASN 42 42 16567 1 . ILE 43 43 16567 1 . LYS 44 44 16567 1 . ASN 45 45 16567 1 . ALA 46 46 16567 1 . PHE 47 47 16567 1 . GLY 48 48 16567 1 . PHE 49 49 16567 1 . ILE 50 50 16567 1 . GLN 51 51 16567 1 . PHE 52 52 16567 1 . ASP 53 53 16567 1 . ASN 54 54 16567 1 . PRO 55 55 16567 1 . GLN 56 56 16567 1 . SER 57 57 16567 1 . VAL 58 58 16567 1 . ARG 59 59 16567 1 . ASP 60 60 16567 1 . ALA 61 61 16567 1 . ILE 62 62 16567 1 . GLU 63 63 16567 1 . CYS 64 64 16567 1 . GLU 65 65 16567 1 . SER 66 66 16567 1 . GLN 67 67 16567 1 . GLU 68 68 16567 1 . MET 69 69 16567 1 . ASN 70 70 16567 1 . PHE 71 71 16567 1 . GLY 72 72 16567 1 . LYS 73 73 16567 1 . LYS 74 74 16567 1 . LEU 75 75 16567 1 . ILE 76 76 16567 1 . LEU 77 77 16567 1 . GLU 78 78 16567 1 . VAL 79 79 16567 1 . SER 80 80 16567 1 . SER 81 81 16567 1 . SER 82 82 16567 1 . ASN 83 83 16567 1 . ALA 84 84 16567 1 . ARG 85 85 16567 1 . PRO 86 86 16567 1 . GLN 87 87 16567 1 . PHE 88 88 16567 1 . ASP 89 89 16567 1 . HIS 90 90 16567 1 . GLY 91 91 16567 1 . ASP 92 92 16567 1 . HIS 93 93 16567 1 . GLY 94 94 16567 1 . THR 95 95 16567 1 . ASN 96 96 16567 1 . LEU 97 97 16567 1 . GLU 98 98 16567 1 . HIS 99 99 16567 1 . HIS 100 100 16567 1 . HIS 101 101 16567 1 . HIS 102 102 16567 1 . HIS 103 103 16567 1 . HIS 104 104 16567 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 16567 _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 $RNA_binding_polypeptide . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 16567 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 16567 _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 $RNA_binding_polypeptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 16567 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16567 _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 'RNA binding polypeptide' '[U-99% 13C; U-99% 15N]' . . 1 $RNA_binding_polypeptide . . 3 . . mM . . . . 16567 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16567 _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' 0.3 . M 16567 1 pH 8 . pH 16567 1 pressure 1 . atm 16567 1 temperature 303 . K 16567 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16567 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16567 1 Goddard . . 16567 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16567 1 collection 16567 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16567 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16567 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 16567 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 16567 1 2 spectrometer_2 Bruker Avance . 900 . . . 16567 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 16567 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16567 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16567 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16567 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16567 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16567 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16567 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16567 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16567 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16567 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16567 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16567 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 16567 _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 . . . . . . . . . 16567 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16567 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16567 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . . . . . . . 16567 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 16567 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 16567 1 2 '3D HN(CO)CA' . . . 16567 1 3 '3D HNCACB' . . . 16567 1 4 '3D CBCA(CO)NH' . . . 16567 1 5 '3D HNHA' . . . 16567 1 7 '3D HCCH-TOCSY' . . . 16567 1 9 '3D 1H-13C NOESY' . . . 16567 1 10 '2D 1H-15N HSQC' . . . 16567 1 11 '2D 1H-13C HSQC' . . . 16567 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 9 9 PRO HA H 1 4.418 0.020 . 1 . . . . 12 PRO HA . 16567 1 2 . 1 1 9 9 PRO HB2 H 1 2.393 0.020 . 2 . . . . 12 PRO HB2 . 16567 1 3 . 1 1 9 9 PRO HB3 H 1 1.824 0.020 . 2 . . . . 12 PRO HB3 . 16567 1 4 . 1 1 9 9 PRO HD2 H 1 3.830 0.020 . 2 . . . . 12 PRO HD2 . 16567 1 5 . 1 1 9 9 PRO HD3 H 1 3.524 0.020 . 2 . . . . 12 PRO HD3 . 16567 1 6 . 1 1 9 9 PRO HG2 H 1 2.073 0.020 . 2 . . . . 12 PRO HG2 . 16567 1 7 . 1 1 9 9 PRO HG3 H 1 2.029 0.020 . 2 . . . . 12 PRO HG3 . 16567 1 8 . 1 1 9 9 PRO CA C 13 61.116 0.400 . 1 . . . . 12 PRO CA . 16567 1 9 . 1 1 9 9 PRO CB C 13 30.394 0.400 . 1 . . . . 12 PRO CB . 16567 1 10 . 1 1 9 9 PRO CD C 13 48.806 0.400 . 1 . . . . 12 PRO CD . 16567 1 11 . 1 1 9 9 PRO CG C 13 26.584 0.400 . 1 . . . . 12 PRO CG . 16567 1 12 . 1 1 10 10 LYS H H 1 8.755 0.020 . 1 . . . . 13 LYS H . 16567 1 13 . 1 1 10 10 LYS HA H 1 4.074 0.020 . 1 . . . . 13 LYS HA . 16567 1 14 . 1 1 10 10 LYS HB2 H 1 2.150 0.020 . 2 . . . . 13 LYS HB2 . 16567 1 15 . 1 1 10 10 LYS HB3 H 1 1.914 0.020 . 2 . . . . 13 LYS HB3 . 16567 1 16 . 1 1 10 10 LYS HD2 H 1 1.670 0.020 . 2 . . . . 13 LYS HD2 . 16567 1 17 . 1 1 10 10 LYS HD3 H 1 1.670 0.020 . 2 . . . . 13 LYS HD3 . 16567 1 18 . 1 1 10 10 LYS HE2 H 1 2.927 0.020 . 2 . . . . 13 LYS HE2 . 16567 1 19 . 1 1 10 10 LYS HE3 H 1 2.927 0.020 . 2 . . . . 13 LYS HE3 . 16567 1 20 . 1 1 10 10 LYS HG2 H 1 1.266 0.020 . 2 . . . . 13 LYS HG2 . 16567 1 21 . 1 1 10 10 LYS HG3 H 1 1.266 0.020 . 2 . . . . 13 LYS HG3 . 16567 1 22 . 1 1 10 10 LYS CA C 13 55.394 0.400 . 1 . . . . 13 LYS CA . 16567 1 23 . 1 1 10 10 LYS CB C 13 26.110 0.400 . 1 . . . . 13 LYS CB . 16567 1 24 . 1 1 10 10 LYS CD C 13 27.544 0.400 . 1 . . . . 13 LYS CD . 16567 1 25 . 1 1 10 10 LYS CE C 13 40.445 0.400 . 1 . . . . 13 LYS CE . 16567 1 26 . 1 1 10 10 LYS CG C 13 23.921 0.400 . 1 . . . . 13 LYS CG . 16567 1 27 . 1 1 10 10 LYS N N 15 113.602 0.400 . 1 . . . . 13 LYS N . 16567 1 28 . 1 1 11 11 SER H H 1 7.546 0.020 . 1 . . . . 14 SER H . 16567 1 29 . 1 1 11 11 SER HA H 1 4.492 0.020 . 1 . . . . 14 SER HA . 16567 1 30 . 1 1 11 11 SER HB2 H 1 3.556 0.020 . 2 . . . . 14 SER HB2 . 16567 1 31 . 1 1 11 11 SER HB3 H 1 3.363 0.020 . 2 . . . . 14 SER HB3 . 16567 1 32 . 1 1 11 11 SER CA C 13 57.400 0.400 . 1 . . . . 14 SER CA . 16567 1 33 . 1 1 11 11 SER CB C 13 61.400 0.400 . 1 . . . . 14 SER CB . 16567 1 34 . 1 1 11 11 SER N N 15 110.995 0.400 . 1 . . . . 14 SER N . 16567 1 35 . 1 1 12 12 ARG H H 1 8.241 0.020 . 1 . . . . 15 ARG H . 16567 1 36 . 1 1 12 12 ARG HA H 1 5.214 0.020 . 1 . . . . 15 ARG HA . 16567 1 37 . 1 1 12 12 ARG HB2 H 1 2.169 0.020 . 2 . . . . 15 ARG HB2 . 16567 1 38 . 1 1 12 12 ARG HB3 H 1 1.728 0.020 . 2 . . . . 15 ARG HB3 . 16567 1 39 . 1 1 12 12 ARG HG2 H 1 1.374 0.020 . 2 . . . . 15 ARG HG2 . 16567 1 40 . 1 1 12 12 ARG HG3 H 1 1.262 0.020 . 2 . . . . 15 ARG HG3 . 16567 1 41 . 1 1 12 12 ARG CA C 13 52.374 0.400 . 1 . . . . 15 ARG CA . 16567 1 42 . 1 1 12 12 ARG CB C 13 31.521 0.400 . 1 . . . . 15 ARG CB . 16567 1 43 . 1 1 12 12 ARG CG C 13 25.789 0.400 . 1 . . . . 15 ARG CG . 16567 1 44 . 1 1 12 12 ARG N N 15 122.811 0.400 . 1 . . . . 15 ARG N . 16567 1 45 . 1 1 13 13 LEU H H 1 9.236 0.020 . 1 . . . . 16 LEU H . 16567 1 46 . 1 1 13 13 LEU HA H 1 4.616 0.020 . 1 . . . . 16 LEU HA . 16567 1 47 . 1 1 13 13 LEU HB2 H 1 1.912 0.020 . 2 . . . . 16 LEU HB2 . 16567 1 48 . 1 1 13 13 LEU HB3 H 1 1.387 0.020 . 2 . . . . 16 LEU HB3 . 16567 1 49 . 1 1 13 13 LEU HD11 H 1 0.876 0.020 . 2 . . . . 16 LEU HD1 . 16567 1 50 . 1 1 13 13 LEU HD12 H 1 0.876 0.020 . 2 . . . . 16 LEU HD1 . 16567 1 51 . 1 1 13 13 LEU HD13 H 1 0.876 0.020 . 2 . . . . 16 LEU HD1 . 16567 1 52 . 1 1 13 13 LEU HD21 H 1 0.249 0.020 . 2 . . . . 16 LEU HD2 . 16567 1 53 . 1 1 13 13 LEU HD22 H 1 0.249 0.020 . 2 . . . . 16 LEU HD2 . 16567 1 54 . 1 1 13 13 LEU HD23 H 1 0.249 0.020 . 2 . . . . 16 LEU HD2 . 16567 1 55 . 1 1 13 13 LEU HG H 1 1.187 0.020 . 1 . . . . 16 LEU HG . 16567 1 56 . 1 1 13 13 LEU CA C 13 51.814 0.400 . 1 . . . . 16 LEU CA . 16567 1 57 . 1 1 13 13 LEU CB C 13 44.300 0.400 . 1 . . . . 16 LEU CB . 16567 1 58 . 1 1 13 13 LEU CD1 C 13 23.386 0.400 . 1 . . . . 16 LEU CD1 . 16567 1 59 . 1 1 13 13 LEU CD2 C 13 25.376 0.400 . 1 . . . . 16 LEU CD2 . 16567 1 60 . 1 1 13 13 LEU CG C 13 24.114 0.400 . 1 . . . . 16 LEU CG . 16567 1 61 . 1 1 13 13 LEU N N 15 129.927 0.400 . 1 . . . . 16 LEU N . 16567 1 62 . 1 1 14 14 PHE H H 1 9.398 0.020 . 1 . . . . 17 PHE H . 16567 1 63 . 1 1 14 14 PHE HA H 1 4.944 0.020 . 1 . . . . 17 PHE HA . 16567 1 64 . 1 1 14 14 PHE HB2 H 1 2.766 0.020 . 2 . . . . 17 PHE HB2 . 16567 1 65 . 1 1 14 14 PHE HB3 H 1 2.642 0.020 . 2 . . . . 17 PHE HB3 . 16567 1 66 . 1 1 14 14 PHE HD1 H 1 6.677 0.020 . 1 . . . . 17 PHE HD1 . 16567 1 67 . 1 1 14 14 PHE CA C 13 53.423 0.400 . 1 . . . . 17 PHE CA . 16567 1 68 . 1 1 14 14 PHE CB C 13 39.438 0.400 . 1 . . . . 17 PHE CB . 16567 1 69 . 1 1 14 14 PHE CD1 C 13 129.418 0.400 . 1 . . . . 17 PHE CD1 . 16567 1 70 . 1 1 14 14 PHE N N 15 128.402 0.400 . 1 . . . . 17 PHE N . 16567 1 71 . 1 1 15 15 ILE H H 1 8.241 0.020 . 1 . . . . 18 ILE H . 16567 1 72 . 1 1 15 15 ILE HA H 1 4.748 0.020 . 1 . . . . 18 ILE HA . 16567 1 73 . 1 1 15 15 ILE HB H 1 1.094 0.020 . 1 . . . . 18 ILE HB . 16567 1 74 . 1 1 15 15 ILE HD11 H 1 0.455 0.020 . 1 . . . . 18 ILE HD1 . 16567 1 75 . 1 1 15 15 ILE HD12 H 1 0.455 0.020 . 1 . . . . 18 ILE HD1 . 16567 1 76 . 1 1 15 15 ILE HD13 H 1 0.455 0.020 . 1 . . . . 18 ILE HD1 . 16567 1 77 . 1 1 15 15 ILE HG12 H 1 1.017 0.020 . 2 . . . . 18 ILE HG12 . 16567 1 78 . 1 1 15 15 ILE HG13 H 1 0.516 0.020 . 2 . . . . 18 ILE HG13 . 16567 1 79 . 1 1 15 15 ILE HG21 H 1 0.843 0.020 . 1 . . . . 18 ILE HG2 . 16567 1 80 . 1 1 15 15 ILE HG22 H 1 0.843 0.020 . 1 . . . . 18 ILE HG2 . 16567 1 81 . 1 1 15 15 ILE HG23 H 1 0.843 0.020 . 1 . . . . 18 ILE HG2 . 16567 1 82 . 1 1 15 15 ILE CA C 13 56.286 0.400 . 1 . . . . 18 ILE CA . 16567 1 83 . 1 1 15 15 ILE CB C 13 38.089 0.400 . 1 . . . . 18 ILE CB . 16567 1 84 . 1 1 15 15 ILE CD1 C 13 13.681 0.400 . 1 . . . . 18 ILE CD1 . 16567 1 85 . 1 1 15 15 ILE CG1 C 13 23.920 0.400 . 1 . . . . 18 ILE CG1 . 16567 1 86 . 1 1 15 15 ILE CG2 C 13 17.515 0.400 . 1 . . . . 18 ILE CG2 . 16567 1 87 . 1 1 15 15 ILE N N 15 125.909 0.400 . 1 . . . . 18 ILE N . 16567 1 88 . 1 1 19 19 PRO HA H 1 4.345 0.020 . 1 . . . . 22 PRO HA . 16567 1 89 . 1 1 19 19 PRO HB2 H 1 2.347 0.020 . 2 . . . . 22 PRO HB2 . 16567 1 90 . 1 1 19 19 PRO HB3 H 1 1.821 0.020 . 2 . . . . 22 PRO HB3 . 16567 1 91 . 1 1 19 19 PRO HD2 H 1 3.374 0.020 . 2 . . . . 22 PRO HD2 . 16567 1 92 . 1 1 19 19 PRO HD3 H 1 2.937 0.020 . 2 . . . . 22 PRO HD3 . 16567 1 93 . 1 1 19 19 PRO HG2 H 1 1.959 0.020 . 2 . . . . 22 PRO HG2 . 16567 1 94 . 1 1 19 19 PRO HG3 H 1 1.923 0.020 . 2 . . . . 22 PRO HG3 . 16567 1 95 . 1 1 19 19 PRO CA C 13 60.337 0.400 . 1 . . . . 22 PRO CA . 16567 1 96 . 1 1 19 19 PRO CB C 13 29.306 0.400 . 1 . . . . 22 PRO CB . 16567 1 97 . 1 1 19 19 PRO CD C 13 47.648 0.400 . 1 . . . . 22 PRO CD . 16567 1 98 . 1 1 19 19 PRO CG C 13 25.521 0.400 . 1 . . . . 22 PRO CG . 16567 1 99 . 1 1 20 20 LEU H H 1 8.032 0.020 . 1 . . . . 23 LEU H . 16567 1 100 . 1 1 20 20 LEU HA H 1 3.878 0.020 . 1 . . . . 23 LEU HA . 16567 1 101 . 1 1 20 20 LEU HB2 H 1 1.546 0.020 . 2 . . . . 23 LEU HB2 . 16567 1 102 . 1 1 20 20 LEU HB3 H 1 1.488 0.020 . 2 . . . . 23 LEU HB3 . 16567 1 103 . 1 1 20 20 LEU HD11 H 1 0.835 0.020 . 2 . . . . 23 LEU HD1 . 16567 1 104 . 1 1 20 20 LEU HD12 H 1 0.835 0.020 . 2 . . . . 23 LEU HD1 . 16567 1 105 . 1 1 20 20 LEU HD13 H 1 0.835 0.020 . 2 . . . . 23 LEU HD1 . 16567 1 106 . 1 1 20 20 LEU HD21 H 1 0.658 0.020 . 2 . . . . 23 LEU HD2 . 16567 1 107 . 1 1 20 20 LEU HD22 H 1 0.658 0.020 . 2 . . . . 23 LEU HD2 . 16567 1 108 . 1 1 20 20 LEU HD23 H 1 0.658 0.020 . 2 . . . . 23 LEU HD2 . 16567 1 109 . 1 1 20 20 LEU HG H 1 1.607 0.020 . 1 . . . . 23 LEU HG . 16567 1 110 . 1 1 20 20 LEU CA C 13 53.908 0.400 . 1 . . . . 23 LEU CA . 16567 1 111 . 1 1 20 20 LEU CB C 13 39.981 0.400 . 1 . . . . 23 LEU CB . 16567 1 112 . 1 1 20 20 LEU CD1 C 13 23.095 0.400 . 1 . . . . 23 LEU CD1 . 16567 1 113 . 1 1 20 20 LEU CD2 C 13 20.717 0.400 . 1 . . . . 23 LEU CD2 . 16567 1 114 . 1 1 20 20 LEU CG C 13 25.715 0.400 . 1 . . . . 23 LEU CG . 16567 1 115 . 1 1 20 20 LEU N N 15 118.376 0.400 . 1 . . . . 23 LEU N . 16567 1 116 . 1 1 21 21 LYS H H 1 7.436 0.020 . 1 . . . . 24 LYS H . 16567 1 117 . 1 1 21 21 LYS HA H 1 4.418 0.020 . 1 . . . . 24 LYS HA . 16567 1 118 . 1 1 21 21 LYS HB2 H 1 1.715 0.020 . 2 . . . . 24 LYS HB2 . 16567 1 119 . 1 1 21 21 LYS HB3 H 1 1.624 0.020 . 2 . . . . 24 LYS HB3 . 16567 1 120 . 1 1 21 21 LYS HD2 H 1 1.633 0.020 . 2 . . . . 24 LYS HD2 . 16567 1 121 . 1 1 21 21 LYS HD3 H 1 1.633 0.020 . 2 . . . . 24 LYS HD3 . 16567 1 122 . 1 1 21 21 LYS HE2 H 1 2.927 0.020 . 2 . . . . 24 LYS HE2 . 16567 1 123 . 1 1 21 21 LYS HE3 H 1 2.927 0.020 . 2 . . . . 24 LYS HE3 . 16567 1 124 . 1 1 21 21 LYS HG2 H 1 1.255 0.020 . 2 . . . . 24 LYS HG2 . 16567 1 125 . 1 1 21 21 LYS HG3 H 1 1.255 0.020 . 2 . . . . 24 LYS HG3 . 16567 1 126 . 1 1 21 21 LYS CA C 13 52.501 0.400 . 1 . . . . 24 LYS CA . 16567 1 127 . 1 1 21 21 LYS CB C 13 32.121 0.400 . 1 . . . . 24 LYS CB . 16567 1 128 . 1 1 21 21 LYS CD C 13 27.498 0.400 . 1 . . . . 24 LYS CD . 16567 1 129 . 1 1 21 21 LYS CE C 13 39.747 0.400 . 1 . . . . 24 LYS CE . 16567 1 130 . 1 1 21 21 LYS CG C 13 22.793 0.400 . 1 . . . . 24 LYS CG . 16567 1 131 . 1 1 21 21 LYS N N 15 115.269 0.400 . 1 . . . . 24 LYS N . 16567 1 132 . 1 1 22 22 ASN CA C 13 51.700 0.400 . 1 . . . . 25 ASN CA . 16567 1 133 . 1 1 22 22 ASN CB C 13 34.900 0.400 . 1 . . . . 25 ASN CB . 16567 1 134 . 1 1 23 23 VAL H H 1 7.530 0.020 . 1 . . . . 26 VAL H . 16567 1 135 . 1 1 23 23 VAL HA H 1 4.241 0.020 . 1 . . . . 26 VAL HA . 16567 1 136 . 1 1 23 23 VAL HB H 1 1.585 0.020 . 1 . . . . 26 VAL HB . 16567 1 137 . 1 1 23 23 VAL HG11 H 1 0.532 0.020 . 2 . . . . 26 VAL HG1 . 16567 1 138 . 1 1 23 23 VAL HG12 H 1 0.532 0.020 . 2 . . . . 26 VAL HG1 . 16567 1 139 . 1 1 23 23 VAL HG13 H 1 0.532 0.020 . 2 . . . . 26 VAL HG1 . 16567 1 140 . 1 1 23 23 VAL HG21 H 1 0.314 0.020 . 2 . . . . 26 VAL HG2 . 16567 1 141 . 1 1 23 23 VAL HG22 H 1 0.314 0.020 . 2 . . . . 26 VAL HG2 . 16567 1 142 . 1 1 23 23 VAL HG23 H 1 0.314 0.020 . 2 . . . . 26 VAL HG2 . 16567 1 143 . 1 1 23 23 VAL CA C 13 59.779 0.400 . 1 . . . . 26 VAL CA . 16567 1 144 . 1 1 23 23 VAL CB C 13 31.490 0.400 . 1 . . . . 26 VAL CB . 16567 1 145 . 1 1 23 23 VAL CG1 C 13 18.776 0.400 . 1 . . . . 26 VAL CG1 . 16567 1 146 . 1 1 23 23 VAL CG2 C 13 18.922 0.400 . 1 . . . . 26 VAL CG2 . 16567 1 147 . 1 1 23 23 VAL N N 15 117.252 0.400 . 1 . . . . 26 VAL N . 16567 1 148 . 1 1 24 24 SER H H 1 9.079 0.020 . 1 . . . . 27 SER H . 16567 1 149 . 1 1 24 24 SER HA H 1 4.890 0.020 . 1 . . . . 27 SER HA . 16567 1 150 . 1 1 24 24 SER HB2 H 1 4.296 0.020 . 2 . . . . 27 SER HB2 . 16567 1 151 . 1 1 24 24 SER HB3 H 1 3.883 0.020 . 2 . . . . 27 SER HB3 . 16567 1 152 . 1 1 24 24 SER CA C 13 53.908 0.400 . 1 . . . . 27 SER CA . 16567 1 153 . 1 1 24 24 SER CB C 13 65.408 0.400 . 1 . . . . 27 SER CB . 16567 1 154 . 1 1 24 24 SER N N 15 123.311 0.400 . 1 . . . . 27 SER N . 16567 1 155 . 1 1 25 25 LYS CA C 13 58.500 0.400 . 1 . . . . 28 LYS CA . 16567 1 156 . 1 1 25 25 LYS CB C 13 29.500 0.400 . 1 . . . . 28 LYS CB . 16567 1 157 . 1 1 26 26 GLU H H 1 8.630 0.020 . 1 . . . . 29 GLU H . 16567 1 158 . 1 1 26 26 GLU HA H 1 3.756 0.020 . 1 . . . . 29 GLU HA . 16567 1 159 . 1 1 26 26 GLU HB2 H 1 1.915 0.020 . 2 . . . . 29 GLU HB2 . 16567 1 160 . 1 1 26 26 GLU HB3 H 1 1.915 0.020 . 2 . . . . 29 GLU HB3 . 16567 1 161 . 1 1 26 26 GLU HG2 H 1 3.152 0.020 . 2 . . . . 29 GLU HG2 . 16567 1 162 . 1 1 26 26 GLU HG3 H 1 3.152 0.020 . 2 . . . . 29 GLU HG3 . 16567 1 163 . 1 1 26 26 GLU CA C 13 57.693 0.400 . 1 . . . . 29 GLU CA . 16567 1 164 . 1 1 26 26 GLU CB C 13 26.201 0.400 . 1 . . . . 29 GLU CB . 16567 1 165 . 1 1 26 26 GLU CG C 13 40.806 0.400 . 1 . . . . 29 GLU CG . 16567 1 166 . 1 1 26 26 GLU N N 15 118.751 0.400 . 1 . . . . 29 GLU N . 16567 1 167 . 1 1 27 27 ASP H H 1 7.902 0.020 . 1 . . . . 30 ASP H . 16567 1 168 . 1 1 27 27 ASP HA H 1 4.500 0.020 . 1 . . . . 30 ASP HA . 16567 1 169 . 1 1 27 27 ASP HB2 H 1 3.222 0.020 . 2 . . . . 30 ASP HB2 . 16567 1 170 . 1 1 27 27 ASP HB3 H 1 2.836 0.020 . 2 . . . . 30 ASP HB3 . 16567 1 171 . 1 1 27 27 ASP CA C 13 55.218 0.400 . 1 . . . . 30 ASP CA . 16567 1 172 . 1 1 27 27 ASP CB C 13 40.079 0.400 . 1 . . . . 30 ASP CB . 16567 1 173 . 1 1 27 27 ASP N N 15 120.341 0.400 . 1 . . . . 30 ASP N . 16567 1 174 . 1 1 28 28 LEU H H 1 7.403 0.020 . 1 . . . . 31 LEU H . 16567 1 175 . 1 1 28 28 LEU HA H 1 4.334 0.020 . 1 . . . . 31 LEU HA . 16567 1 176 . 1 1 28 28 LEU HB2 H 1 2.133 0.020 . 2 . . . . 31 LEU HB2 . 16567 1 177 . 1 1 28 28 LEU HB3 H 1 1.466 0.020 . 2 . . . . 31 LEU HB3 . 16567 1 178 . 1 1 28 28 LEU HD11 H 1 0.979 0.020 . 2 . . . . 31 LEU HD1 . 16567 1 179 . 1 1 28 28 LEU HD12 H 1 0.979 0.020 . 2 . . . . 31 LEU HD1 . 16567 1 180 . 1 1 28 28 LEU HD13 H 1 0.979 0.020 . 2 . . . . 31 LEU HD1 . 16567 1 181 . 1 1 28 28 LEU HD21 H 1 0.718 0.020 . 2 . . . . 31 LEU HD2 . 16567 1 182 . 1 1 28 28 LEU HD22 H 1 0.718 0.020 . 2 . . . . 31 LEU HD2 . 16567 1 183 . 1 1 28 28 LEU HD23 H 1 0.718 0.020 . 2 . . . . 31 LEU HD2 . 16567 1 184 . 1 1 28 28 LEU HG H 1 1.870 0.020 . 1 . . . . 31 LEU HG . 16567 1 185 . 1 1 28 28 LEU CA C 13 56.286 0.400 . 1 . . . . 31 LEU CA . 16567 1 186 . 1 1 28 28 LEU CB C 13 40.224 0.400 . 1 . . . . 31 LEU CB . 16567 1 187 . 1 1 28 28 LEU CD1 C 13 21.178 0.400 . 1 . . . . 31 LEU CD1 . 16567 1 188 . 1 1 28 28 LEU CD2 C 13 24.150 0.400 . 1 . . . . 31 LEU CD2 . 16567 1 189 . 1 1 28 28 LEU CG C 13 24.696 0.400 . 1 . . . . 31 LEU CG . 16567 1 190 . 1 1 28 28 LEU N N 15 116.882 0.400 . 1 . . . . 31 LEU N . 16567 1 191 . 1 1 29 29 PHE H H 1 8.949 0.020 . 1 . . . . 32 PHE H . 16567 1 192 . 1 1 29 29 PHE HA H 1 3.859 0.020 . 1 . . . . 32 PHE HA . 16567 1 193 . 1 1 29 29 PHE HB2 H 1 3.230 0.020 . 2 . . . . 32 PHE HB2 . 16567 1 194 . 1 1 29 29 PHE HB3 H 1 3.053 0.020 . 2 . . . . 32 PHE HB3 . 16567 1 195 . 1 1 29 29 PHE HD1 H 1 7.094 0.020 . 1 . . . . 32 PHE HD1 . 16567 1 196 . 1 1 29 29 PHE CA C 13 59.815 0.400 . 1 . . . . 32 PHE CA . 16567 1 197 . 1 1 29 29 PHE CB C 13 37.474 0.400 . 1 . . . . 32 PHE CB . 16567 1 198 . 1 1 29 29 PHE CD1 C 13 129.069 0.400 . 1 . . . . 32 PHE CD1 . 16567 1 199 . 1 1 29 29 PHE N N 15 121.695 0.400 . 1 . . . . 32 PHE N . 16567 1 200 . 1 1 30 30 ARG H H 1 8.293 0.020 . 1 . . . . 33 ARG H . 16567 1 201 . 1 1 30 30 ARG HA H 1 3.924 0.020 . 1 . . . . 33 ARG HA . 16567 1 202 . 1 1 30 30 ARG HB2 H 1 2.103 0.020 . 2 . . . . 33 ARG HB2 . 16567 1 203 . 1 1 30 30 ARG HB3 H 1 2.025 0.020 . 2 . . . . 33 ARG HB3 . 16567 1 204 . 1 1 30 30 ARG HD2 H 1 3.269 0.020 . 2 . . . . 33 ARG HD2 . 16567 1 205 . 1 1 30 30 ARG HD3 H 1 3.242 0.020 . 2 . . . . 33 ARG HD3 . 16567 1 206 . 1 1 30 30 ARG HG2 H 1 1.753 0.020 . 2 . . . . 33 ARG HG2 . 16567 1 207 . 1 1 30 30 ARG HG3 H 1 1.535 0.020 . 2 . . . . 33 ARG HG3 . 16567 1 208 . 1 1 30 30 ARG CA C 13 57.799 0.400 . 1 . . . . 33 ARG CA . 16567 1 209 . 1 1 30 30 ARG CB C 13 27.982 0.400 . 1 . . . . 33 ARG CB . 16567 1 210 . 1 1 30 30 ARG CD C 13 41.192 0.400 . 1 . . . . 33 ARG CD . 16567 1 211 . 1 1 30 30 ARG CG C 13 25.732 0.400 . 1 . . . . 33 ARG CG . 16567 1 212 . 1 1 30 30 ARG N N 15 120.526 0.400 . 1 . . . . 33 ARG N . 16567 1 213 . 1 1 31 31 ILE H H 1 7.344 0.020 . 1 . . . . 34 ILE H . 16567 1 214 . 1 1 31 31 ILE HA H 1 3.489 0.020 . 1 . . . . 34 ILE HA . 16567 1 215 . 1 1 31 31 ILE HB H 1 1.240 0.020 . 1 . . . . 34 ILE HB . 16567 1 216 . 1 1 31 31 ILE HD11 H 1 0.429 0.020 . 1 . . . . 34 ILE HD1 . 16567 1 217 . 1 1 31 31 ILE HD12 H 1 0.429 0.020 . 1 . . . . 34 ILE HD1 . 16567 1 218 . 1 1 31 31 ILE HD13 H 1 0.429 0.020 . 1 . . . . 34 ILE HD1 . 16567 1 219 . 1 1 31 31 ILE HG12 H 1 1.551 0.020 . 2 . . . . 34 ILE HG12 . 16567 1 220 . 1 1 31 31 ILE HG13 H 1 0.833 0.020 . 2 . . . . 34 ILE HG13 . 16567 1 221 . 1 1 31 31 ILE HG21 H 1 -0.284 0.020 . 1 . . . . 34 ILE HG2 . 16567 1 222 . 1 1 31 31 ILE HG22 H 1 -0.284 0.020 . 1 . . . . 34 ILE HG2 . 16567 1 223 . 1 1 31 31 ILE HG23 H 1 -0.284 0.020 . 1 . . . . 34 ILE HG2 . 16567 1 224 . 1 1 31 31 ILE CA C 13 61.970 0.400 . 1 . . . . 34 ILE CA . 16567 1 225 . 1 1 31 31 ILE CB C 13 37.805 0.400 . 1 . . . . 34 ILE CB . 16567 1 226 . 1 1 31 31 ILE CD1 C 13 12.396 0.400 . 1 . . . . 34 ILE CD1 . 16567 1 227 . 1 1 31 31 ILE CG1 C 13 26.629 0.400 . 1 . . . . 34 ILE CG1 . 16567 1 228 . 1 1 31 31 ILE CG2 C 13 13.908 0.400 . 1 . . . . 34 ILE CG2 . 16567 1 229 . 1 1 31 31 ILE N N 15 115.559 0.400 . 1 . . . . 34 ILE N . 16567 1 230 . 1 1 32 32 PHE H H 1 7.975 0.020 . 1 . . . . 35 PHE H . 16567 1 231 . 1 1 32 32 PHE HA H 1 4.993 0.020 . 1 . . . . 35 PHE HA . 16567 1 232 . 1 1 32 32 PHE HB2 H 1 3.439 0.020 . 2 . . . . 35 PHE HB2 . 16567 1 233 . 1 1 32 32 PHE HB3 H 1 2.766 0.020 . 2 . . . . 35 PHE HB3 . 16567 1 234 . 1 1 32 32 PHE HD1 H 1 7.498 0.020 . 1 . . . . 35 PHE HD1 . 16567 1 235 . 1 1 32 32 PHE CA C 13 59.207 0.400 . 1 . . . . 35 PHE CA . 16567 1 236 . 1 1 32 32 PHE CB C 13 38.311 0.400 . 1 . . . . 35 PHE CB . 16567 1 237 . 1 1 32 32 PHE CD1 C 13 129.605 0.400 . 1 . . . . 35 PHE CD1 . 16567 1 238 . 1 1 32 32 PHE N N 15 110.973 0.400 . 1 . . . . 35 PHE N . 16567 1 239 . 1 1 33 33 SER H H 1 8.456 0.020 . 1 . . . . 36 SER H . 16567 1 240 . 1 1 33 33 SER HA H 1 4.298 0.020 . 1 . . . . 36 SER HA . 16567 1 241 . 1 1 33 33 SER HB2 H 1 3.554 0.020 . 2 . . . . 36 SER HB2 . 16567 1 242 . 1 1 33 33 SER HB3 H 1 2.913 0.020 . 2 . . . . 36 SER HB3 . 16567 1 243 . 1 1 33 33 SER CA C 13 59.619 0.400 . 1 . . . . 36 SER CA . 16567 1 244 . 1 1 33 33 SER CB C 13 60.396 0.400 . 1 . . . . 36 SER CB . 16567 1 245 . 1 1 33 33 SER N N 15 119.182 0.400 . 1 . . . . 36 SER N . 16567 1 246 . 1 1 34 34 PRO HA H 1 4.104 0.020 . 1 . . . . 37 PRO HA . 16567 1 247 . 1 1 34 34 PRO HB2 H 1 1.991 0.020 . 2 . . . . 37 PRO HB2 . 16567 1 248 . 1 1 34 34 PRO HB3 H 1 0.461 0.020 . 2 . . . . 37 PRO HB3 . 16567 1 249 . 1 1 34 34 PRO HD2 H 1 3.604 0.020 . 2 . . . . 37 PRO HD2 . 16567 1 250 . 1 1 34 34 PRO HD3 H 1 3.087 0.020 . 2 . . . . 37 PRO HD3 . 16567 1 251 . 1 1 34 34 PRO HG2 H 1 1.660 0.020 . 2 . . . . 37 PRO HG2 . 16567 1 252 . 1 1 34 34 PRO HG3 H 1 1.573 0.020 . 2 . . . . 37 PRO HG3 . 16567 1 253 . 1 1 34 34 PRO CA C 13 62.790 0.400 . 1 . . . . 37 PRO CA . 16567 1 254 . 1 1 34 34 PRO CB C 13 29.604 0.400 . 1 . . . . 37 PRO CB . 16567 1 255 . 1 1 34 34 PRO CD C 13 50.063 0.400 . 1 . . . . 37 PRO CD . 16567 1 256 . 1 1 34 34 PRO CG C 13 25.821 0.400 . 1 . . . . 37 PRO CG . 16567 1 257 . 1 1 35 35 TYR H H 1 7.434 0.020 . 1 . . . . 38 TYR H . 16567 1 258 . 1 1 35 35 TYR HA H 1 4.384 0.020 . 1 . . . . 38 TYR HA . 16567 1 259 . 1 1 35 35 TYR HB2 H 1 3.345 0.020 . 2 . . . . 38 TYR HB2 . 16567 1 260 . 1 1 35 35 TYR HB3 H 1 2.846 0.020 . 2 . . . . 38 TYR HB3 . 16567 1 261 . 1 1 35 35 TYR HD1 H 1 7.428 0.020 . 1 . . . . 38 TYR HD1 . 16567 1 262 . 1 1 35 35 TYR HE1 H 1 6.829 0.020 . 1 . . . . 38 TYR HE1 . 16567 1 263 . 1 1 35 35 TYR CA C 13 56.460 0.400 . 1 . . . . 38 TYR CA . 16567 1 264 . 1 1 35 35 TYR CB C 13 36.427 0.400 . 1 . . . . 38 TYR CB . 16567 1 265 . 1 1 35 35 TYR CD1 C 13 130.077 0.400 . 1 . . . . 38 TYR CD1 . 16567 1 266 . 1 1 35 35 TYR CE1 C 13 118.452 0.400 . 1 . . . . 38 TYR CE1 . 16567 1 267 . 1 1 35 35 TYR N N 15 111.432 0.400 . 1 . . . . 38 TYR N . 16567 1 268 . 1 1 36 36 GLY H H 1 7.796 0.020 . 1 . . . . 39 GLY H . 16567 1 269 . 1 1 36 36 GLY HA2 H 1 4.368 0.020 . 2 . . . . 39 GLY HA2 . 16567 1 270 . 1 1 36 36 GLY HA3 H 1 3.998 0.020 . 2 . . . . 39 GLY HA3 . 16567 1 271 . 1 1 36 36 GLY CA C 13 43.429 0.400 . 1 . . . . 39 GLY CA . 16567 1 272 . 1 1 36 36 GLY N N 15 108.419 0.400 . 1 . . . . 39 GLY N . 16567 1 273 . 1 1 37 37 HIS H H 1 8.916 0.020 . 1 . . . . 40 HIS H . 16567 1 274 . 1 1 37 37 HIS HA H 1 4.548 0.020 . 1 . . . . 40 HIS HA . 16567 1 275 . 1 1 37 37 HIS HB2 H 1 3.105 0.020 . 2 . . . . 40 HIS HB2 . 16567 1 276 . 1 1 37 37 HIS HB3 H 1 2.964 0.020 . 2 . . . . 40 HIS HB3 . 16567 1 277 . 1 1 37 37 HIS CA C 13 54.400 0.400 . 1 . . . . 40 HIS CA . 16567 1 278 . 1 1 37 37 HIS CB C 13 28.855 0.400 . 1 . . . . 40 HIS CB . 16567 1 279 . 1 1 37 37 HIS N N 15 119.195 0.400 . 1 . . . . 40 HIS N . 16567 1 280 . 1 1 38 38 ILE H H 1 7.909 0.020 . 1 . . . . 41 ILE H . 16567 1 281 . 1 1 38 38 ILE HA H 1 3.815 0.020 . 1 . . . . 41 ILE HA . 16567 1 282 . 1 1 38 38 ILE HB H 1 1.575 0.020 . 1 . . . . 41 ILE HB . 16567 1 283 . 1 1 38 38 ILE HD11 H 1 0.429 0.020 . 1 . . . . 41 ILE HD1 . 16567 1 284 . 1 1 38 38 ILE HD12 H 1 0.429 0.020 . 1 . . . . 41 ILE HD1 . 16567 1 285 . 1 1 38 38 ILE HD13 H 1 0.429 0.020 . 1 . . . . 41 ILE HD1 . 16567 1 286 . 1 1 38 38 ILE HG12 H 1 1.624 0.020 . 2 . . . . 41 ILE HG12 . 16567 1 287 . 1 1 38 38 ILE HG13 H 1 1.185 0.020 . 2 . . . . 41 ILE HG13 . 16567 1 288 . 1 1 38 38 ILE HG21 H 1 0.516 0.020 . 1 . . . . 41 ILE HG2 . 16567 1 289 . 1 1 38 38 ILE HG22 H 1 0.516 0.020 . 1 . . . . 41 ILE HG2 . 16567 1 290 . 1 1 38 38 ILE HG23 H 1 0.516 0.020 . 1 . . . . 41 ILE HG2 . 16567 1 291 . 1 1 38 38 ILE CA C 13 59.372 0.400 . 1 . . . . 41 ILE CA . 16567 1 292 . 1 1 38 38 ILE CB C 13 36.866 0.400 . 1 . . . . 41 ILE CB . 16567 1 293 . 1 1 38 38 ILE CD1 C 13 11.134 0.400 . 1 . . . . 41 ILE CD1 . 16567 1 294 . 1 1 38 38 ILE CG1 C 13 24.469 0.400 . 1 . . . . 41 ILE CG1 . 16567 1 295 . 1 1 38 38 ILE CG2 C 13 15.702 0.400 . 1 . . . . 41 ILE CG2 . 16567 1 296 . 1 1 38 38 ILE N N 15 127.047 0.400 . 1 . . . . 41 ILE N . 16567 1 297 . 1 1 39 39 MET H H 1 8.998 0.020 . 1 . . . . 42 MET H . 16567 1 298 . 1 1 39 39 MET HA H 1 4.279 0.020 . 1 . . . . 42 MET HA . 16567 1 299 . 1 1 39 39 MET HB2 H 1 2.133 0.020 . 2 . . . . 42 MET HB2 . 16567 1 300 . 1 1 39 39 MET HB3 H 1 1.411 0.020 . 2 . . . . 42 MET HB3 . 16567 1 301 . 1 1 39 39 MET HE1 H 1 2.028 0.020 . 1 . . . . 42 MET HE . 16567 1 302 . 1 1 39 39 MET HE2 H 1 2.028 0.020 . 1 . . . . 42 MET HE . 16567 1 303 . 1 1 39 39 MET HE3 H 1 2.028 0.020 . 1 . . . . 42 MET HE . 16567 1 304 . 1 1 39 39 MET HG2 H 1 2.280 0.020 . 2 . . . . 42 MET HG2 . 16567 1 305 . 1 1 39 39 MET HG3 H 1 2.280 0.020 . 2 . . . . 42 MET HG3 . 16567 1 306 . 1 1 39 39 MET CA C 13 54.114 0.400 . 1 . . . . 42 MET CA . 16567 1 307 . 1 1 39 39 MET CB C 13 32.533 0.400 . 1 . . . . 42 MET CB . 16567 1 308 . 1 1 39 39 MET CE C 13 15.010 0.400 . 1 . . . . 42 MET CE . 16567 1 309 . 1 1 39 39 MET CG C 13 29.718 0.400 . 1 . . . . 42 MET CG . 16567 1 310 . 1 1 39 39 MET N N 15 124.483 0.400 . 1 . . . . 42 MET N . 16567 1 311 . 1 1 40 40 GLN H H 1 7.100 0.020 . 1 . . . . 43 GLN H . 16567 1 312 . 1 1 40 40 GLN HA H 1 4.546 0.020 . 1 . . . . 43 GLN HA . 16567 1 313 . 1 1 40 40 GLN CA C 13 55.449 0.400 . 1 . . . . 43 GLN CA . 16567 1 314 . 1 1 40 40 GLN CB C 13 28.000 0.400 . 1 . . . . 43 GLN CB . 16567 1 315 . 1 1 40 40 GLN N N 15 115.012 0.400 . 1 . . . . 43 GLN N . 16567 1 316 . 1 1 41 41 ILE H H 1 8.904 0.020 . 1 . . . . 44 ILE H . 16567 1 317 . 1 1 41 41 ILE CA C 13 58.400 0.400 . 1 . . . . 44 ILE CA . 16567 1 318 . 1 1 41 41 ILE CB C 13 38.900 0.400 . 1 . . . . 44 ILE CB . 16567 1 319 . 1 1 41 41 ILE N N 15 120.452 0.400 . 1 . . . . 44 ILE N . 16567 1 320 . 1 1 42 42 ASN H H 1 8.727 0.020 . 1 . . . . 45 ASN H . 16567 1 321 . 1 1 42 42 ASN HA H 1 5.105 0.020 . 1 . . . . 45 ASN HA . 16567 1 322 . 1 1 42 42 ASN HB2 H 1 2.732 0.020 . 2 . . . . 45 ASN HB2 . 16567 1 323 . 1 1 42 42 ASN HB3 H 1 2.500 0.020 . 2 . . . . 45 ASN HB3 . 16567 1 324 . 1 1 42 42 ASN CA C 13 50.770 0.400 . 1 . . . . 45 ASN CA . 16567 1 325 . 1 1 42 42 ASN CB C 13 40.999 0.400 . 1 . . . . 45 ASN CB . 16567 1 326 . 1 1 42 42 ASN N N 15 124.091 0.400 . 1 . . . . 45 ASN N . 16567 1 327 . 1 1 43 43 ILE H H 1 8.584 0.020 . 1 . . . . 46 ILE H . 16567 1 328 . 1 1 43 43 ILE HA H 1 4.547 0.020 . 1 . . . . 46 ILE HA . 16567 1 329 . 1 1 43 43 ILE HB H 1 1.572 0.020 . 1 . . . . 46 ILE HB . 16567 1 330 . 1 1 43 43 ILE HD11 H 1 0.603 0.020 . 1 . . . . 46 ILE HD1 . 16567 1 331 . 1 1 43 43 ILE HD12 H 1 0.603 0.020 . 1 . . . . 46 ILE HD1 . 16567 1 332 . 1 1 43 43 ILE HD13 H 1 0.603 0.020 . 1 . . . . 46 ILE HD1 . 16567 1 333 . 1 1 43 43 ILE HG21 H 1 0.717 0.020 . 1 . . . . 46 ILE HG2 . 16567 1 334 . 1 1 43 43 ILE HG22 H 1 0.717 0.020 . 1 . . . . 46 ILE HG2 . 16567 1 335 . 1 1 43 43 ILE HG23 H 1 0.717 0.020 . 1 . . . . 46 ILE HG2 . 16567 1 336 . 1 1 43 43 ILE CA C 13 59.334 0.400 . 1 . . . . 46 ILE CA . 16567 1 337 . 1 1 43 43 ILE CB C 13 38.521 0.400 . 1 . . . . 46 ILE CB . 16567 1 338 . 1 1 43 43 ILE CD1 C 13 12.255 0.400 . 1 . . . . 46 ILE CD1 . 16567 1 339 . 1 1 43 43 ILE CG2 C 13 15.557 0.400 . 1 . . . . 46 ILE CG2 . 16567 1 340 . 1 1 43 43 ILE N N 15 123.149 0.400 . 1 . . . . 46 ILE N . 16567 1 341 . 1 1 44 44 LYS H H 1 9.306 0.020 . 1 . . . . 47 LYS H . 16567 1 342 . 1 1 44 44 LYS HA H 1 4.614 0.020 . 1 . . . . 47 LYS HA . 16567 1 343 . 1 1 44 44 LYS HB2 H 1 1.915 0.020 . 2 . . . . 47 LYS HB2 . 16567 1 344 . 1 1 44 44 LYS HB3 H 1 1.915 0.020 . 2 . . . . 47 LYS HB3 . 16567 1 345 . 1 1 44 44 LYS CA C 13 51.893 0.400 . 1 . . . . 47 LYS CA . 16567 1 346 . 1 1 44 44 LYS CB C 13 44.363 0.400 . 1 . . . . 47 LYS CB . 16567 1 347 . 1 1 44 44 LYS N N 15 129.845 0.400 . 1 . . . . 47 LYS N . 16567 1 348 . 1 1 46 46 ALA H H 1 7.575 0.020 . 1 . . . . 49 ALA H . 16567 1 349 . 1 1 46 46 ALA HA H 1 4.120 0.020 . 1 . . . . 49 ALA HA . 16567 1 350 . 1 1 46 46 ALA HB1 H 1 1.144 0.020 . 1 . . . . 49 ALA HB . 16567 1 351 . 1 1 46 46 ALA HB2 H 1 1.144 0.020 . 1 . . . . 49 ALA HB . 16567 1 352 . 1 1 46 46 ALA HB3 H 1 1.144 0.020 . 1 . . . . 49 ALA HB . 16567 1 353 . 1 1 46 46 ALA CA C 13 51.046 0.400 . 1 . . . . 49 ALA CA . 16567 1 354 . 1 1 46 46 ALA CB C 13 17.539 0.400 . 1 . . . . 49 ALA CB . 16567 1 355 . 1 1 46 46 ALA N N 15 123.384 0.400 . 1 . . . . 49 ALA N . 16567 1 356 . 1 1 47 47 PHE H H 1 7.764 0.020 . 1 . . . . 50 PHE H . 16567 1 357 . 1 1 47 47 PHE HA H 1 5.429 0.020 . 1 . . . . 50 PHE HA . 16567 1 358 . 1 1 47 47 PHE HB2 H 1 3.244 0.020 . 2 . . . . 50 PHE HB2 . 16567 1 359 . 1 1 47 47 PHE HB3 H 1 2.894 0.020 . 2 . . . . 50 PHE HB3 . 16567 1 360 . 1 1 47 47 PHE HD1 H 1 7.314 0.020 . 1 . . . . 50 PHE HD1 . 16567 1 361 . 1 1 47 47 PHE CA C 13 51.206 0.400 . 1 . . . . 50 PHE CA . 16567 1 362 . 1 1 47 47 PHE CB C 13 38.736 0.400 . 1 . . . . 50 PHE CB . 16567 1 363 . 1 1 47 47 PHE CD1 C 13 129.069 0.400 . 1 . . . . 50 PHE CD1 . 16567 1 364 . 1 1 47 47 PHE N N 15 115.741 0.400 . 1 . . . . 50 PHE N . 16567 1 365 . 1 1 48 48 GLY H H 1 8.817 0.020 . 1 . . . . 51 GLY H . 16567 1 366 . 1 1 48 48 GLY CA C 13 41.300 0.400 . 1 . . . . 51 GLY CA . 16567 1 367 . 1 1 48 48 GLY N N 15 107.673 0.400 . 1 . . . . 51 GLY N . 16567 1 368 . 1 1 49 49 PHE H H 1 8.799 0.020 . 1 . . . . 52 PHE H . 16567 1 369 . 1 1 49 49 PHE HA H 1 5.592 0.020 . 1 . . . . 52 PHE HA . 16567 1 370 . 1 1 49 49 PHE HB2 H 1 2.841 0.020 . 2 . . . . 52 PHE HB2 . 16567 1 371 . 1 1 49 49 PHE HB3 H 1 2.736 0.020 . 2 . . . . 52 PHE HB3 . 16567 1 372 . 1 1 49 49 PHE HD1 H 1 6.980 0.020 . 1 . . . . 52 PHE HD1 . 16567 1 373 . 1 1 49 49 PHE CA C 13 54.075 0.400 . 1 . . . . 52 PHE CA . 16567 1 374 . 1 1 49 49 PHE CB C 13 41.322 0.400 . 1 . . . . 52 PHE CB . 16567 1 375 . 1 1 49 49 PHE CD1 C 13 128.131 0.400 . 1 . . . . 52 PHE CD1 . 16567 1 376 . 1 1 49 49 PHE N N 15 115.958 0.400 . 1 . . . . 52 PHE N . 16567 1 377 . 1 1 50 50 ILE H H 1 9.117 0.020 . 1 . . . . 53 ILE H . 16567 1 378 . 1 1 50 50 ILE HA H 1 4.395 0.020 . 1 . . . . 53 ILE HA . 16567 1 379 . 1 1 50 50 ILE HB H 1 1.522 0.020 . 1 . . . . 53 ILE HB . 16567 1 380 . 1 1 50 50 ILE HD11 H 1 0.392 0.020 . 1 . . . . 53 ILE HD1 . 16567 1 381 . 1 1 50 50 ILE HD12 H 1 0.392 0.020 . 1 . . . . 53 ILE HD1 . 16567 1 382 . 1 1 50 50 ILE HD13 H 1 0.392 0.020 . 1 . . . . 53 ILE HD1 . 16567 1 383 . 1 1 50 50 ILE HG12 H 1 0.957 0.020 . 2 . . . . 53 ILE HG12 . 16567 1 384 . 1 1 50 50 ILE HG13 H 1 0.817 0.020 . 2 . . . . 53 ILE HG13 . 16567 1 385 . 1 1 50 50 ILE HG21 H 1 -0.077 0.020 . 1 . . . . 53 ILE HG2 . 16567 1 386 . 1 1 50 50 ILE HG22 H 1 -0.077 0.020 . 1 . . . . 53 ILE HG2 . 16567 1 387 . 1 1 50 50 ILE HG23 H 1 -0.077 0.020 . 1 . . . . 53 ILE HG2 . 16567 1 388 . 1 1 50 50 ILE CA C 13 57.604 0.400 . 1 . . . . 53 ILE CA . 16567 1 389 . 1 1 50 50 ILE CB C 13 37.745 0.400 . 1 . . . . 53 ILE CB . 16567 1 390 . 1 1 50 50 ILE CD1 C 13 12.662 0.400 . 1 . . . . 53 ILE CD1 . 16567 1 391 . 1 1 50 50 ILE CG1 C 13 24.870 0.400 . 1 . . . . 53 ILE CG1 . 16567 1 392 . 1 1 50 50 ILE CG2 C 13 15.925 0.400 . 1 . . . . 53 ILE CG2 . 16567 1 393 . 1 1 50 50 ILE N N 15 121.877 0.400 . 1 . . . . 53 ILE N . 16567 1 394 . 1 1 51 51 GLN H H 1 8.852 0.020 . 1 . . . . 54 GLN H . 16567 1 395 . 1 1 51 51 GLN HA H 1 4.408 0.020 . 1 . . . . 54 GLN HA . 16567 1 396 . 1 1 51 51 GLN CA C 13 52.984 0.400 . 1 . . . . 54 GLN CA . 16567 1 397 . 1 1 51 51 GLN CB C 13 28.300 0.400 . 1 . . . . 54 GLN CB . 16567 1 398 . 1 1 51 51 GLN N N 15 128.027 0.400 . 1 . . . . 54 GLN N . 16567 1 399 . 1 1 52 52 PHE H H 1 8.904 0.020 . 1 . . . . 55 PHE H . 16567 1 400 . 1 1 52 52 PHE HA H 1 5.703 0.020 . 1 . . . . 55 PHE HA . 16567 1 401 . 1 1 52 52 PHE HB2 H 1 3.456 0.020 . 2 . . . . 55 PHE HB2 . 16567 1 402 . 1 1 52 52 PHE HB3 H 1 3.456 0.020 . 2 . . . . 55 PHE HB3 . 16567 1 403 . 1 1 52 52 PHE HD1 H 1 7.077 0.020 . 1 . . . . 55 PHE HD1 . 16567 1 404 . 1 1 52 52 PHE CA C 13 56.380 0.400 . 1 . . . . 55 PHE CA . 16567 1 405 . 1 1 52 52 PHE CB C 13 39.118 0.400 . 1 . . . . 55 PHE CB . 16567 1 406 . 1 1 52 52 PHE CD1 C 13 129.230 0.400 . 1 . . . . 55 PHE CD1 . 16567 1 407 . 1 1 52 52 PHE N N 15 129.078 0.400 . 1 . . . . 55 PHE N . 16567 1 408 . 1 1 53 53 ASP H H 1 8.435 0.020 . 1 . . . . 56 ASP H . 16567 1 409 . 1 1 53 53 ASP HA H 1 4.929 0.020 . 1 . . . . 56 ASP HA . 16567 1 410 . 1 1 53 53 ASP HB2 H 1 3.325 0.020 . 2 . . . . 56 ASP HB2 . 16567 1 411 . 1 1 53 53 ASP HB3 H 1 2.639 0.020 . 2 . . . . 56 ASP HB3 . 16567 1 412 . 1 1 53 53 ASP CA C 13 51.198 0.400 . 1 . . . . 56 ASP CA . 16567 1 413 . 1 1 53 53 ASP CB C 13 39.626 0.400 . 1 . . . . 56 ASP CB . 16567 1 414 . 1 1 53 53 ASP N N 15 115.686 0.400 . 1 . . . . 56 ASP N . 16567 1 415 . 1 1 54 54 ASN H H 1 7.630 0.020 . 1 . . . . 57 ASN H . 16567 1 416 . 1 1 54 54 ASN HA H 1 4.935 0.020 . 1 . . . . 57 ASN HA . 16567 1 417 . 1 1 54 54 ASN HB2 H 1 2.894 0.020 . 2 . . . . 57 ASN HB2 . 16567 1 418 . 1 1 54 54 ASN HB3 H 1 2.766 0.020 . 2 . . . . 57 ASN HB3 . 16567 1 419 . 1 1 54 54 ASN CA C 13 50.971 0.400 . 1 . . . . 57 ASN CA . 16567 1 420 . 1 1 54 54 ASN CB C 13 38.670 0.400 . 1 . . . . 57 ASN CB . 16567 1 421 . 1 1 54 54 ASN N N 15 114.077 0.400 . 1 . . . . 57 ASN N . 16567 1 422 . 1 1 55 55 PRO HA H 1 4.244 0.020 . 1 . . . . 58 PRO HA . 16567 1 423 . 1 1 55 55 PRO HB2 H 1 2.077 0.020 . 2 . . . . 58 PRO HB2 . 16567 1 424 . 1 1 55 55 PRO HB3 H 1 1.646 0.020 . 2 . . . . 58 PRO HB3 . 16567 1 425 . 1 1 55 55 PRO HD2 H 1 3.605 0.020 . 2 . . . . 58 PRO HD2 . 16567 1 426 . 1 1 55 55 PRO HD3 H 1 3.501 0.020 . 2 . . . . 58 PRO HD3 . 16567 1 427 . 1 1 55 55 PRO HG2 H 1 1.830 0.020 . 2 . . . . 58 PRO HG2 . 16567 1 428 . 1 1 55 55 PRO HG3 H 1 1.830 0.020 . 2 . . . . 58 PRO HG3 . 16567 1 429 . 1 1 55 55 PRO CA C 13 61.389 0.400 . 1 . . . . 58 PRO CA . 16567 1 430 . 1 1 55 55 PRO CB C 13 30.037 0.400 . 1 . . . . 58 PRO CB . 16567 1 431 . 1 1 55 55 PRO CD C 13 48.707 0.400 . 1 . . . . 58 PRO CD . 16567 1 432 . 1 1 55 55 PRO CG C 13 25.735 0.400 . 1 . . . . 58 PRO CG . 16567 1 433 . 1 1 56 56 GLN H H 1 8.292 0.020 . 1 . . . . 59 GLN H . 16567 1 434 . 1 1 56 56 GLN HA H 1 3.824 0.020 . 1 . . . . 59 GLN HA . 16567 1 435 . 1 1 56 56 GLN HB2 H 1 2.223 0.020 . 2 . . . . 59 GLN HB2 . 16567 1 436 . 1 1 56 56 GLN HB3 H 1 2.134 0.020 . 2 . . . . 59 GLN HB3 . 16567 1 437 . 1 1 56 56 GLN HG2 H 1 2.453 0.020 . 2 . . . . 59 GLN HG2 . 16567 1 438 . 1 1 56 56 GLN HG3 H 1 2.395 0.020 . 2 . . . . 59 GLN HG3 . 16567 1 439 . 1 1 56 56 GLN CA C 13 56.918 0.400 . 1 . . . . 59 GLN CA . 16567 1 440 . 1 1 56 56 GLN CB C 13 25.590 0.400 . 1 . . . . 59 GLN CB . 16567 1 441 . 1 1 56 56 GLN CG C 13 30.991 0.400 . 1 . . . . 59 GLN CG . 16567 1 442 . 1 1 56 56 GLN N N 15 124.932 0.400 . 1 . . . . 59 GLN N . 16567 1 443 . 1 1 57 57 SER H H 1 8.352 0.020 . 1 . . . . 60 SER H . 16567 1 444 . 1 1 57 57 SER HA H 1 3.875 0.020 . 1 . . . . 60 SER HA . 16567 1 445 . 1 1 57 57 SER HB2 H 1 2.952 0.020 . 2 . . . . 60 SER HB2 . 16567 1 446 . 1 1 57 57 SER HB3 H 1 2.317 0.020 . 2 . . . . 60 SER HB3 . 16567 1 447 . 1 1 57 57 SER CA C 13 61.814 0.400 . 1 . . . . 60 SER CA . 16567 1 448 . 1 1 57 57 SER CB C 13 61.197 0.400 . 1 . . . . 60 SER CB . 16567 1 449 . 1 1 57 57 SER N N 15 116.931 0.400 . 1 . . . . 60 SER N . 16567 1 450 . 1 1 58 58 VAL H H 1 6.125 0.020 . 1 . . . . 61 VAL H . 16567 1 451 . 1 1 58 58 VAL HA H 1 3.107 0.020 . 1 . . . . 61 VAL HA . 16567 1 452 . 1 1 58 58 VAL HB H 1 2.242 0.020 . 1 . . . . 61 VAL HB . 16567 1 453 . 1 1 58 58 VAL HG11 H 1 1.018 0.020 . 2 . . . . 61 VAL HG1 . 16567 1 454 . 1 1 58 58 VAL HG12 H 1 1.018 0.020 . 2 . . . . 61 VAL HG1 . 16567 1 455 . 1 1 58 58 VAL HG13 H 1 1.018 0.020 . 2 . . . . 61 VAL HG1 . 16567 1 456 . 1 1 58 58 VAL HG21 H 1 0.853 0.020 . 2 . . . . 61 VAL HG2 . 16567 1 457 . 1 1 58 58 VAL HG22 H 1 0.853 0.020 . 2 . . . . 61 VAL HG2 . 16567 1 458 . 1 1 58 58 VAL HG23 H 1 0.853 0.020 . 2 . . . . 61 VAL HG2 . 16567 1 459 . 1 1 58 58 VAL CA C 13 64.279 0.400 . 1 . . . . 61 VAL CA . 16567 1 460 . 1 1 58 58 VAL CB C 13 30.076 0.400 . 1 . . . . 61 VAL CB . 16567 1 461 . 1 1 58 58 VAL CG1 C 13 22.628 0.400 . 1 . . . . 61 VAL CG1 . 16567 1 462 . 1 1 58 58 VAL CG2 C 13 21.122 0.400 . 1 . . . . 61 VAL CG2 . 16567 1 463 . 1 1 58 58 VAL N N 15 116.801 0.400 . 1 . . . . 61 VAL N . 16567 1 464 . 1 1 59 59 ARG H H 1 6.900 0.020 . 1 . . . . 62 ARG H . 16567 1 465 . 1 1 59 59 ARG HA H 1 3.768 0.020 . 1 . . . . 62 ARG HA . 16567 1 466 . 1 1 59 59 ARG HB2 H 1 1.908 0.020 . 2 . . . . 62 ARG HB2 . 16567 1 467 . 1 1 59 59 ARG HB3 H 1 1.908 0.020 . 2 . . . . 62 ARG HB3 . 16567 1 468 . 1 1 59 59 ARG HD2 H 1 3.247 0.020 . 2 . . . . 62 ARG HD2 . 16567 1 469 . 1 1 59 59 ARG HD3 H 1 3.144 0.020 . 2 . . . . 62 ARG HD3 . 16567 1 470 . 1 1 59 59 ARG HG2 H 1 1.747 0.020 . 2 . . . . 62 ARG HG2 . 16567 1 471 . 1 1 59 59 ARG HG3 H 1 1.535 0.020 . 2 . . . . 62 ARG HG3 . 16567 1 472 . 1 1 59 59 ARG CA C 13 57.889 0.400 . 1 . . . . 62 ARG CA . 16567 1 473 . 1 1 59 59 ARG CB C 13 27.968 0.400 . 1 . . . . 62 ARG CB . 16567 1 474 . 1 1 59 59 ARG CD C 13 41.540 0.400 . 1 . . . . 62 ARG CD . 16567 1 475 . 1 1 59 59 ARG CG C 13 25.898 0.400 . 1 . . . . 62 ARG CG . 16567 1 476 . 1 1 59 59 ARG N N 15 117.302 0.400 . 1 . . . . 62 ARG N . 16567 1 477 . 1 1 60 60 ASP H H 1 8.665 0.020 . 1 . . . . 63 ASP H . 16567 1 478 . 1 1 60 60 ASP HA H 1 4.264 0.020 . 1 . . . . 63 ASP HA . 16567 1 479 . 1 1 60 60 ASP HB2 H 1 2.752 0.020 . 2 . . . . 63 ASP HB2 . 16567 1 480 . 1 1 60 60 ASP HB3 H 1 2.689 0.020 . 2 . . . . 63 ASP HB3 . 16567 1 481 . 1 1 60 60 ASP CA C 13 55.480 0.400 . 1 . . . . 63 ASP CA . 16567 1 482 . 1 1 60 60 ASP CB C 13 38.519 0.400 . 1 . . . . 63 ASP CB . 16567 1 483 . 1 1 60 60 ASP N N 15 120.521 0.400 . 1 . . . . 63 ASP N . 16567 1 484 . 1 1 61 61 ALA H H 1 7.806 0.020 . 1 . . . . 64 ALA H . 16567 1 485 . 1 1 61 61 ALA HA H 1 2.461 0.020 . 1 . . . . 64 ALA HA . 16567 1 486 . 1 1 61 61 ALA HB1 H 1 1.283 0.020 . 1 . . . . 64 ALA HB . 16567 1 487 . 1 1 61 61 ALA HB2 H 1 1.283 0.020 . 1 . . . . 64 ALA HB . 16567 1 488 . 1 1 61 61 ALA HB3 H 1 1.283 0.020 . 1 . . . . 64 ALA HB . 16567 1 489 . 1 1 61 61 ALA CA C 13 53.018 0.400 . 1 . . . . 64 ALA CA . 16567 1 490 . 1 1 61 61 ALA CB C 13 16.845 0.400 . 1 . . . . 64 ALA CB . 16567 1 491 . 1 1 61 61 ALA N N 15 122.299 0.400 . 1 . . . . 64 ALA N . 16567 1 492 . 1 1 62 62 ILE H H 1 7.979 0.020 . 1 . . . . 65 ILE H . 16567 1 493 . 1 1 62 62 ILE HA H 1 3.409 0.020 . 1 . . . . 65 ILE HA . 16567 1 494 . 1 1 62 62 ILE HB H 1 1.718 0.020 . 1 . . . . 65 ILE HB . 16567 1 495 . 1 1 62 62 ILE HD11 H 1 0.634 0.020 . 1 . . . . 65 ILE HD1 . 16567 1 496 . 1 1 62 62 ILE HD12 H 1 0.634 0.020 . 1 . . . . 65 ILE HD1 . 16567 1 497 . 1 1 62 62 ILE HD13 H 1 0.634 0.020 . 1 . . . . 65 ILE HD1 . 16567 1 498 . 1 1 62 62 ILE HG12 H 1 1.818 0.020 . 2 . . . . 65 ILE HG12 . 16567 1 499 . 1 1 62 62 ILE HG13 H 1 0.514 0.020 . 2 . . . . 65 ILE HG13 . 16567 1 500 . 1 1 62 62 ILE HG21 H 1 0.816 0.020 . 1 . . . . 65 ILE HG2 . 16567 1 501 . 1 1 62 62 ILE HG22 H 1 0.816 0.020 . 1 . . . . 65 ILE HG2 . 16567 1 502 . 1 1 62 62 ILE HG23 H 1 0.816 0.020 . 1 . . . . 65 ILE HG2 . 16567 1 503 . 1 1 62 62 ILE CA C 13 64.323 0.400 . 1 . . . . 65 ILE CA . 16567 1 504 . 1 1 62 62 ILE CB C 13 36.915 0.400 . 1 . . . . 65 ILE CB . 16567 1 505 . 1 1 62 62 ILE CD1 C 13 13.206 0.400 . 1 . . . . 65 ILE CD1 . 16567 1 506 . 1 1 62 62 ILE CG1 C 13 27.847 0.400 . 1 . . . . 65 ILE CG1 . 16567 1 507 . 1 1 62 62 ILE CG2 C 13 14.917 0.400 . 1 . . . . 65 ILE CG2 . 16567 1 508 . 1 1 62 62 ILE N N 15 116.420 0.400 . 1 . . . . 65 ILE N . 16567 1 509 . 1 1 63 63 GLU H H 1 8.282 0.020 . 1 . . . . 66 GLU H . 16567 1 510 . 1 1 63 63 GLU HA H 1 3.957 0.020 . 1 . . . . 66 GLU HA . 16567 1 511 . 1 1 63 63 GLU HB2 H 1 2.106 0.020 . 2 . . . . 66 GLU HB2 . 16567 1 512 . 1 1 63 63 GLU HB3 H 1 2.106 0.020 . 2 . . . . 66 GLU HB3 . 16567 1 513 . 1 1 63 63 GLU HG2 H 1 2.290 0.020 . 2 . . . . 66 GLU HG2 . 16567 1 514 . 1 1 63 63 GLU HG3 H 1 2.247 0.020 . 2 . . . . 66 GLU HG3 . 16567 1 515 . 1 1 63 63 GLU CA C 13 57.706 0.400 . 1 . . . . 66 GLU CA . 16567 1 516 . 1 1 63 63 GLU CB C 13 28.007 0.400 . 1 . . . . 66 GLU CB . 16567 1 517 . 1 1 63 63 GLU CG C 13 34.167 0.400 . 1 . . . . 66 GLU CG . 16567 1 518 . 1 1 63 63 GLU N N 15 120.569 0.400 . 1 . . . . 66 GLU N . 16567 1 519 . 1 1 64 64 CYS H H 1 8.291 0.020 . 1 . . . . 67 CYS H . 16567 1 520 . 1 1 64 64 CYS HA H 1 4.646 0.020 . 1 . . . . 67 CYS HA . 16567 1 521 . 1 1 64 64 CYS HB2 H 1 3.256 0.020 . 2 . . . . 67 CYS HB2 . 16567 1 522 . 1 1 64 64 CYS HB3 H 1 3.046 0.020 . 2 . . . . 67 CYS HB3 . 16567 1 523 . 1 1 64 64 CYS CA C 13 59.900 0.400 . 1 . . . . 67 CYS CA . 16567 1 524 . 1 1 64 64 CYS CB C 13 39.449 0.400 . 1 . . . . 67 CYS CB . 16567 1 525 . 1 1 64 64 CYS N N 15 113.947 0.400 . 1 . . . . 67 CYS N . 16567 1 526 . 1 1 65 65 GLU H H 1 8.349 0.020 . 1 . . . . 68 GLU H . 16567 1 527 . 1 1 65 65 GLU HA H 1 4.404 0.020 . 1 . . . . 68 GLU HA . 16567 1 528 . 1 1 65 65 GLU HB2 H 1 2.354 0.020 . 2 . . . . 68 GLU HB2 . 16567 1 529 . 1 1 65 65 GLU HB3 H 1 1.974 0.020 . 2 . . . . 68 GLU HB3 . 16567 1 530 . 1 1 65 65 GLU HG2 H 1 2.394 0.020 . 2 . . . . 68 GLU HG2 . 16567 1 531 . 1 1 65 65 GLU HG3 H 1 2.345 0.020 . 2 . . . . 68 GLU HG3 . 16567 1 532 . 1 1 65 65 GLU CA C 13 54.710 0.400 . 1 . . . . 68 GLU CA . 16567 1 533 . 1 1 65 65 GLU CB C 13 26.992 0.400 . 1 . . . . 68 GLU CB . 16567 1 534 . 1 1 65 65 GLU CG C 13 30.043 0.400 . 1 . . . . 68 GLU CG . 16567 1 535 . 1 1 65 65 GLU N N 15 114.868 0.400 . 1 . . . . 68 GLU N . 16567 1 536 . 1 1 66 66 SER H H 1 7.681 0.020 . 1 . . . . 69 SER H . 16567 1 537 . 1 1 66 66 SER HA H 1 4.294 0.020 . 1 . . . . 69 SER HA . 16567 1 538 . 1 1 66 66 SER HB2 H 1 4.087 0.020 . 2 . . . . 69 SER HB2 . 16567 1 539 . 1 1 66 66 SER HB3 H 1 4.087 0.020 . 2 . . . . 69 SER HB3 . 16567 1 540 . 1 1 66 66 SER CA C 13 60.796 0.400 . 1 . . . . 69 SER CA . 16567 1 541 . 1 1 66 66 SER CB C 13 61.521 0.400 . 1 . . . . 69 SER CB . 16567 1 542 . 1 1 66 66 SER N N 15 115.535 0.400 . 1 . . . . 69 SER N . 16567 1 543 . 1 1 67 67 GLN H H 1 7.777 0.020 . 1 . . . . 70 GLN H . 16567 1 544 . 1 1 67 67 GLN HA H 1 4.468 0.020 . 1 . . . . 70 GLN HA . 16567 1 545 . 1 1 67 67 GLN CA C 13 52.986 0.400 . 1 . . . . 70 GLN CA . 16567 1 546 . 1 1 67 67 GLN CB C 13 26.400 0.400 . 1 . . . . 70 GLN CB . 16567 1 547 . 1 1 67 67 GLN N N 15 115.326 0.400 . 1 . . . . 70 GLN N . 16567 1 548 . 1 1 68 68 GLU H H 1 7.010 0.020 . 1 . . . . 71 GLU H . 16567 1 549 . 1 1 68 68 GLU N N 15 118.429 0.400 . 1 . . . . 71 GLU N . 16567 1 550 . 1 1 70 70 ASN CA C 13 50.400 0.400 . 1 . . . . 73 ASN CA . 16567 1 551 . 1 1 70 70 ASN CB C 13 35.900 0.400 . 1 . . . . 73 ASN CB . 16567 1 552 . 1 1 71 71 PHE H H 1 7.809 0.020 . 1 . . . . 74 PHE H . 16567 1 553 . 1 1 71 71 PHE HA H 1 4.371 0.020 . 1 . . . . 74 PHE HA . 16567 1 554 . 1 1 71 71 PHE HB2 H 1 3.341 0.020 . 2 . . . . 74 PHE HB2 . 16567 1 555 . 1 1 71 71 PHE HB3 H 1 3.341 0.020 . 2 . . . . 74 PHE HB3 . 16567 1 556 . 1 1 71 71 PHE HD1 H 1 7.131 0.020 . 1 . . . . 74 PHE HD1 . 16567 1 557 . 1 1 71 71 PHE CA C 13 56.888 0.400 . 1 . . . . 74 PHE CA . 16567 1 558 . 1 1 71 71 PHE CB C 13 36.591 0.400 . 1 . . . . 74 PHE CB . 16567 1 559 . 1 1 71 71 PHE CD1 C 13 129.069 0.400 . 1 . . . . 74 PHE CD1 . 16567 1 560 . 1 1 71 71 PHE N N 15 123.342 0.400 . 1 . . . . 74 PHE N . 16567 1 561 . 1 1 72 72 GLY H H 1 8.486 0.020 . 1 . . . . 75 GLY H . 16567 1 562 . 1 1 72 72 GLY HA2 H 1 4.053 0.020 . 2 . . . . 75 GLY HA2 . 16567 1 563 . 1 1 72 72 GLY HA3 H 1 3.597 0.020 . 2 . . . . 75 GLY HA3 . 16567 1 564 . 1 1 72 72 GLY CA C 13 43.709 0.400 . 1 . . . . 75 GLY CA . 16567 1 565 . 1 1 72 72 GLY N N 15 103.702 0.400 . 1 . . . . 75 GLY N . 16567 1 566 . 1 1 73 73 LYS H H 1 7.824 0.020 . 1 . . . . 76 LYS H . 16567 1 567 . 1 1 73 73 LYS HA H 1 4.689 0.020 . 1 . . . . 76 LYS HA . 16567 1 568 . 1 1 73 73 LYS HB2 H 1 1.818 0.020 . 2 . . . . 76 LYS HB2 . 16567 1 569 . 1 1 73 73 LYS HB3 H 1 1.713 0.020 . 2 . . . . 76 LYS HB3 . 16567 1 570 . 1 1 73 73 LYS HD2 H 1 2.347 0.020 . 2 . . . . 76 LYS HD2 . 16567 1 571 . 1 1 73 73 LYS HD3 H 1 1.821 0.020 . 2 . . . . 76 LYS HD3 . 16567 1 572 . 1 1 73 73 LYS HE2 H 1 3.062 0.020 . 2 . . . . 76 LYS HE2 . 16567 1 573 . 1 1 73 73 LYS HE3 H 1 2.927 0.020 . 2 . . . . 76 LYS HE3 . 16567 1 574 . 1 1 73 73 LYS HG2 H 1 1.686 0.020 . 2 . . . . 76 LYS HG2 . 16567 1 575 . 1 1 73 73 LYS HG3 H 1 1.686 0.020 . 2 . . . . 76 LYS HG3 . 16567 1 576 . 1 1 73 73 LYS CA C 13 51.800 0.400 . 1 . . . . 76 LYS CA . 16567 1 577 . 1 1 73 73 LYS CB C 13 33.586 0.400 . 1 . . . . 76 LYS CB . 16567 1 578 . 1 1 73 73 LYS CD C 13 29.557 0.400 . 1 . . . . 76 LYS CD . 16567 1 579 . 1 1 73 73 LYS CE C 13 40.562 0.400 . 1 . . . . 76 LYS CE . 16567 1 580 . 1 1 73 73 LYS CG C 13 27.618 0.400 . 1 . . . . 76 LYS CG . 16567 1 581 . 1 1 73 73 LYS N N 15 118.629 0.400 . 1 . . . . 76 LYS N . 16567 1 582 . 1 1 74 74 LYS H H 1 8.110 0.020 . 1 . . . . 77 LYS H . 16567 1 583 . 1 1 74 74 LYS CA C 13 52.900 0.400 . 1 . . . . 77 LYS CA . 16567 1 584 . 1 1 74 74 LYS CB C 13 29.200 0.400 . 1 . . . . 77 LYS CB . 16567 1 585 . 1 1 74 74 LYS N N 15 119.077 0.400 . 1 . . . . 77 LYS N . 16567 1 586 . 1 1 75 75 LEU H H 1 9.077 0.020 . 1 . . . . 78 LEU H . 16567 1 587 . 1 1 75 75 LEU CA C 13 51.800 0.400 . 1 . . . . 78 LEU CA . 16567 1 588 . 1 1 75 75 LEU CB C 13 40.500 0.400 . 1 . . . . 78 LEU CB . 16567 1 589 . 1 1 75 75 LEU N N 15 126.755 0.400 . 1 . . . . 78 LEU N . 16567 1 590 . 1 1 76 76 ILE H H 1 8.636 0.020 . 1 . . . . 79 ILE H . 16567 1 591 . 1 1 76 76 ILE CA C 13 58.400 0.400 . 1 . . . . 79 ILE CA . 16567 1 592 . 1 1 76 76 ILE CB C 13 36.400 0.400 . 1 . . . . 79 ILE CB . 16567 1 593 . 1 1 76 76 ILE N N 15 120.313 0.400 . 1 . . . . 79 ILE N . 16567 1 594 . 1 1 77 77 LEU H H 1 8.056 0.020 . 1 . . . . 80 LEU H . 16567 1 595 . 1 1 77 77 LEU HA H 1 5.345 0.020 . 1 . . . . 80 LEU HA . 16567 1 596 . 1 1 77 77 LEU HB2 H 1 1.770 0.020 . 2 . . . . 80 LEU HB2 . 16567 1 597 . 1 1 77 77 LEU HB3 H 1 1.196 0.020 . 2 . . . . 80 LEU HB3 . 16567 1 598 . 1 1 77 77 LEU HD11 H 1 0.877 0.020 . 2 . . . . 80 LEU HD1 . 16567 1 599 . 1 1 77 77 LEU HD12 H 1 0.877 0.020 . 2 . . . . 80 LEU HD1 . 16567 1 600 . 1 1 77 77 LEU HD13 H 1 0.877 0.020 . 2 . . . . 80 LEU HD1 . 16567 1 601 . 1 1 77 77 LEU HD21 H 1 0.874 0.020 . 2 . . . . 80 LEU HD2 . 16567 1 602 . 1 1 77 77 LEU HD22 H 1 0.874 0.020 . 2 . . . . 80 LEU HD2 . 16567 1 603 . 1 1 77 77 LEU HD23 H 1 0.874 0.020 . 2 . . . . 80 LEU HD2 . 16567 1 604 . 1 1 77 77 LEU HG H 1 1.557 0.020 . 1 . . . . 80 LEU HG . 16567 1 605 . 1 1 77 77 LEU CA C 13 51.013 0.400 . 1 . . . . 80 LEU CA . 16567 1 606 . 1 1 77 77 LEU CB C 13 43.239 0.400 . 1 . . . . 80 LEU CB . 16567 1 607 . 1 1 77 77 LEU CD1 C 13 24.693 0.400 . 1 . . . . 80 LEU CD1 . 16567 1 608 . 1 1 77 77 LEU CD2 C 13 22.663 0.400 . 1 . . . . 80 LEU CD2 . 16567 1 609 . 1 1 77 77 LEU CG C 13 24.353 0.400 . 1 . . . . 80 LEU CG . 16567 1 610 . 1 1 77 77 LEU N N 15 128.608 0.400 . 1 . . . . 80 LEU N . 16567 1 611 . 1 1 78 78 GLU H H 1 8.996 0.020 . 1 . . . . 81 GLU H . 16567 1 612 . 1 1 78 78 GLU HB2 H 1 2.138 0.020 . 2 . . . . 81 GLU HB2 . 16567 1 613 . 1 1 78 78 GLU HB3 H 1 1.779 0.020 . 2 . . . . 81 GLU HB3 . 16567 1 614 . 1 1 78 78 GLU CA C 13 51.400 0.400 . 1 . . . . 81 GLU CA . 16567 1 615 . 1 1 78 78 GLU CB C 13 33.084 0.400 . 1 . . . . 81 GLU CB . 16567 1 616 . 1 1 78 78 GLU N N 15 120.442 0.400 . 1 . . . . 81 GLU N . 16567 1 617 . 1 1 79 79 VAL H H 1 8.779 0.020 . 1 . . . . 82 VAL H . 16567 1 618 . 1 1 79 79 VAL HA H 1 3.973 0.020 . 1 . . . . 82 VAL HA . 16567 1 619 . 1 1 79 79 VAL HB H 1 1.948 0.020 . 1 . . . . 82 VAL HB . 16567 1 620 . 1 1 79 79 VAL HG11 H 1 0.941 0.020 . 2 . . . . 82 VAL HG1 . 16567 1 621 . 1 1 79 79 VAL HG12 H 1 0.941 0.020 . 2 . . . . 82 VAL HG1 . 16567 1 622 . 1 1 79 79 VAL HG13 H 1 0.941 0.020 . 2 . . . . 82 VAL HG1 . 16567 1 623 . 1 1 79 79 VAL HG21 H 1 0.943 0.020 . 2 . . . . 82 VAL HG2 . 16567 1 624 . 1 1 79 79 VAL HG22 H 1 0.943 0.020 . 2 . . . . 82 VAL HG2 . 16567 1 625 . 1 1 79 79 VAL HG23 H 1 0.943 0.020 . 2 . . . . 82 VAL HG2 . 16567 1 626 . 1 1 79 79 VAL CA C 13 61.207 0.400 . 1 . . . . 82 VAL CA . 16567 1 627 . 1 1 79 79 VAL CB C 13 30.234 0.400 . 1 . . . . 82 VAL CB . 16567 1 628 . 1 1 79 79 VAL CG1 C 13 19.469 0.400 . 1 . . . . 82 VAL CG1 . 16567 1 629 . 1 1 79 79 VAL CG2 C 13 19.469 0.400 . 1 . . . . 82 VAL CG2 . 16567 1 630 . 1 1 79 79 VAL N N 15 122.609 0.400 . 1 . . . . 82 VAL N . 16567 1 631 . 1 1 80 80 SER H H 1 8.670 0.020 . 1 . . . . 83 SER H . 16567 1 632 . 1 1 80 80 SER HA H 1 4.263 0.020 . 1 . . . . 83 SER HA . 16567 1 633 . 1 1 80 80 SER HB2 H 1 3.968 0.020 . 2 . . . . 83 SER HB2 . 16567 1 634 . 1 1 80 80 SER HB3 H 1 3.968 0.020 . 2 . . . . 83 SER HB3 . 16567 1 635 . 1 1 80 80 SER CA C 13 55.808 0.400 . 1 . . . . 83 SER CA . 16567 1 636 . 1 1 80 80 SER CB C 13 61.526 0.400 . 1 . . . . 83 SER CB . 16567 1 637 . 1 1 80 80 SER N N 15 122.809 0.400 . 1 . . . . 83 SER N . 16567 1 stop_ save_