data_17143 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17143 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the first dsRBD of protein HYL1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-23 _Entry.Accession_date 2010-08-23 _Entry.Last_release_date 2010-09-24 _Entry.Original_release_date 2010-09-24 _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 Rodolfo Rasia . M. . 17143 2 Julieta Mateos . L. . 17143 3 Nicolas Bologna . G. . 17143 4 Paula Burdisso . . . 17143 5 Lionel Imbert . . . 17143 6 Javier Palatnik . F. . 17143 7 Jerome Boisbouvier . . . 17143 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' . 17143 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Instituto de Biolog a Molecular y Celular de Rosario' . 17143 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID dsRBD . 17143 miRNA . 17143 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17143 RDCs 1 17143 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 264 17143 '15N chemical shifts' 80 17143 '1H chemical shifts' 156 17143 'residual dipolar couplings' 292 17143 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 . . 2010-09-24 2010-08-23 original author . 17143 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17143 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20735118 _Citation.Full_citation . _Citation.Title 'Structure and RNA Interactions of the Plant MicroRNA Processing-Associated Protein HYL1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 49 _Citation.Journal_issue 38 _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 8237 _Citation.Page_last 8239 _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 Rodolfo Rasia . M. . 17143 1 2 Julieta Mateos . . . 17143 1 3 Nicolas Bologna . G. . 17143 1 4 Paula Burdisso . . . 17143 1 5 Lionel Imbert . . . 17143 1 6 Javier Palatnik . F. . 17143 1 7 Jerome Boisbouvier . . . 17143 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dsRBD 17143 1 miRNA 17143 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17143 _Assembly.ID 1 _Assembly.Name HYL1_dsRBD_1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HYL1_dsRBD_1-1 1 $HYL1_dsRBD_1 A . yes native no no . . . 17143 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HYL1_dsRBD_1 _Entity.Sf_category entity _Entity.Sf_framecode HYL1_dsRBD_1 _Entity.Entry_ID 17143 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HYL1_dsRBD_1 _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 ; GHMMTSTDVSSGVSNCYVFK SRLQEYAQKYKLPTPVYEIV KEGPSHKSLFQSTVILDGVR YNSLPGFFNRKAAEQSAAEV ALRELAKSSELSQCVSQPVH ETG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8031.225 _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 2L2N . "Backbone 1h, 13c, And 15n Chemical Shift Assignments For The First Dsrbd Of Protein Hyl1" . . . . . 100.00 103 100.00 100.00 7.55e-69 . . . . 17143 1 2 no PDB 3ADG . "Structure Of Arabidopsis Hyl1 And Its Molecular Implications For Mirna Processing" . . . . . 69.90 73 97.22 98.61 4.19e-42 . . . . 17143 1 3 no PDB 3ADI . "Structure Of Arabidopsis Hyl1 And Its Molecular Implications For Mirna Processing" . . . . . 69.90 73 97.22 98.61 4.19e-42 . . . . 17143 1 4 no GB AAB60726 . "F21M12.9 gene product [Arabidopsis thaliana]" . . . . . 97.09 419 100.00 100.00 6.80e-63 . . . . 17143 1 5 no GB AAG49890 . "hyponastic leave 1 [Arabidopsis thaliana]" . . . . . 97.09 419 100.00 100.00 6.80e-63 . . . . 17143 1 6 no GB AAK96822 . "Unknown protein [Arabidopsis thaliana]" . . . . . 97.09 419 100.00 100.00 6.80e-63 . . . . 17143 1 7 no GB AAM10087 . "unknown protein [Arabidopsis thaliana]" . . . . . 97.09 419 100.00 100.00 6.80e-63 . . . . 17143 1 8 no GB AEE28481 . "dsRNA-binding hyponastic leave 1 protein [Arabidopsis thaliana]" . . . . . 97.09 419 100.00 100.00 6.80e-63 . . . . 17143 1 9 no REF NP_563850 . "double-stranded RNA-binding protein 1 [Arabidopsis thaliana]" . . . . . 97.09 419 100.00 100.00 6.80e-63 . . . . 17143 1 10 no SP O04492 . "RecName: Full=Double-stranded RNA-binding protein 1; AltName: Full=Protein HYPONASTIC LEAVES 1; AltName: Full=dsRNA-binding pro" . . . . . 97.09 419 100.00 100.00 6.80e-63 . . . . 17143 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'miRNA processing' 17143 1 'RNA binding' 17143 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 -2 GLY . 17143 1 2 -1 HIS . 17143 1 3 0 MET . 17143 1 4 1 MET . 17143 1 5 2 THR . 17143 1 6 3 SER . 17143 1 7 4 THR . 17143 1 8 5 ASP . 17143 1 9 6 VAL . 17143 1 10 7 SER . 17143 1 11 8 SER . 17143 1 12 9 GLY . 17143 1 13 10 VAL . 17143 1 14 11 SER . 17143 1 15 12 ASN . 17143 1 16 13 CYS . 17143 1 17 14 TYR . 17143 1 18 15 VAL . 17143 1 19 16 PHE . 17143 1 20 17 LYS . 17143 1 21 18 SER . 17143 1 22 19 ARG . 17143 1 23 20 LEU . 17143 1 24 21 GLN . 17143 1 25 22 GLU . 17143 1 26 23 TYR . 17143 1 27 24 ALA . 17143 1 28 25 GLN . 17143 1 29 26 LYS . 17143 1 30 27 TYR . 17143 1 31 28 LYS . 17143 1 32 29 LEU . 17143 1 33 30 PRO . 17143 1 34 31 THR . 17143 1 35 32 PRO . 17143 1 36 33 VAL . 17143 1 37 34 TYR . 17143 1 38 35 GLU . 17143 1 39 36 ILE . 17143 1 40 37 VAL . 17143 1 41 38 LYS . 17143 1 42 39 GLU . 17143 1 43 40 GLY . 17143 1 44 41 PRO . 17143 1 45 42 SER . 17143 1 46 43 HIS . 17143 1 47 44 LYS . 17143 1 48 45 SER . 17143 1 49 46 LEU . 17143 1 50 47 PHE . 17143 1 51 48 GLN . 17143 1 52 49 SER . 17143 1 53 50 THR . 17143 1 54 51 VAL . 17143 1 55 52 ILE . 17143 1 56 53 LEU . 17143 1 57 54 ASP . 17143 1 58 55 GLY . 17143 1 59 56 VAL . 17143 1 60 57 ARG . 17143 1 61 58 TYR . 17143 1 62 59 ASN . 17143 1 63 60 SER . 17143 1 64 61 LEU . 17143 1 65 62 PRO . 17143 1 66 63 GLY . 17143 1 67 64 PHE . 17143 1 68 65 PHE . 17143 1 69 66 ASN . 17143 1 70 67 ARG . 17143 1 71 68 LYS . 17143 1 72 69 ALA . 17143 1 73 70 ALA . 17143 1 74 71 GLU . 17143 1 75 72 GLN . 17143 1 76 73 SER . 17143 1 77 74 ALA . 17143 1 78 75 ALA . 17143 1 79 76 GLU . 17143 1 80 77 VAL . 17143 1 81 78 ALA . 17143 1 82 79 LEU . 17143 1 83 80 ARG . 17143 1 84 81 GLU . 17143 1 85 82 LEU . 17143 1 86 83 ALA . 17143 1 87 84 LYS . 17143 1 88 85 SER . 17143 1 89 86 SER . 17143 1 90 87 GLU . 17143 1 91 88 LEU . 17143 1 92 89 SER . 17143 1 93 90 GLN . 17143 1 94 91 CYS . 17143 1 95 92 VAL . 17143 1 96 93 SER . 17143 1 97 94 GLN . 17143 1 98 95 PRO . 17143 1 99 96 VAL . 17143 1 100 97 HIS . 17143 1 101 98 GLU . 17143 1 102 99 THR . 17143 1 103 100 GLY . 17143 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17143 1 . HIS 2 2 17143 1 . MET 3 3 17143 1 . MET 4 4 17143 1 . THR 5 5 17143 1 . SER 6 6 17143 1 . THR 7 7 17143 1 . ASP 8 8 17143 1 . VAL 9 9 17143 1 . SER 10 10 17143 1 . SER 11 11 17143 1 . GLY 12 12 17143 1 . VAL 13 13 17143 1 . SER 14 14 17143 1 . ASN 15 15 17143 1 . CYS 16 16 17143 1 . TYR 17 17 17143 1 . VAL 18 18 17143 1 . PHE 19 19 17143 1 . LYS 20 20 17143 1 . SER 21 21 17143 1 . ARG 22 22 17143 1 . LEU 23 23 17143 1 . GLN 24 24 17143 1 . GLU 25 25 17143 1 . TYR 26 26 17143 1 . ALA 27 27 17143 1 . GLN 28 28 17143 1 . LYS 29 29 17143 1 . TYR 30 30 17143 1 . LYS 31 31 17143 1 . LEU 32 32 17143 1 . PRO 33 33 17143 1 . THR 34 34 17143 1 . PRO 35 35 17143 1 . VAL 36 36 17143 1 . TYR 37 37 17143 1 . GLU 38 38 17143 1 . ILE 39 39 17143 1 . VAL 40 40 17143 1 . LYS 41 41 17143 1 . GLU 42 42 17143 1 . GLY 43 43 17143 1 . PRO 44 44 17143 1 . SER 45 45 17143 1 . HIS 46 46 17143 1 . LYS 47 47 17143 1 . SER 48 48 17143 1 . LEU 49 49 17143 1 . PHE 50 50 17143 1 . GLN 51 51 17143 1 . SER 52 52 17143 1 . THR 53 53 17143 1 . VAL 54 54 17143 1 . ILE 55 55 17143 1 . LEU 56 56 17143 1 . ASP 57 57 17143 1 . GLY 58 58 17143 1 . VAL 59 59 17143 1 . ARG 60 60 17143 1 . TYR 61 61 17143 1 . ASN 62 62 17143 1 . SER 63 63 17143 1 . LEU 64 64 17143 1 . PRO 65 65 17143 1 . GLY 66 66 17143 1 . PHE 67 67 17143 1 . PHE 68 68 17143 1 . ASN 69 69 17143 1 . ARG 70 70 17143 1 . LYS 71 71 17143 1 . ALA 72 72 17143 1 . ALA 73 73 17143 1 . GLU 74 74 17143 1 . GLN 75 75 17143 1 . SER 76 76 17143 1 . ALA 77 77 17143 1 . ALA 78 78 17143 1 . GLU 79 79 17143 1 . VAL 80 80 17143 1 . ALA 81 81 17143 1 . LEU 82 82 17143 1 . ARG 83 83 17143 1 . GLU 84 84 17143 1 . LEU 85 85 17143 1 . ALA 86 86 17143 1 . LYS 87 87 17143 1 . SER 88 88 17143 1 . SER 89 89 17143 1 . GLU 90 90 17143 1 . LEU 91 91 17143 1 . SER 92 92 17143 1 . GLN 93 93 17143 1 . CYS 94 94 17143 1 . VAL 95 95 17143 1 . SER 96 96 17143 1 . GLN 97 97 17143 1 . PRO 98 98 17143 1 . VAL 99 99 17143 1 . HIS 100 100 17143 1 . GLU 101 101 17143 1 . THR 102 102 17143 1 . GLY 103 103 17143 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 17143 _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 $HYL1_dsRBD_1 . 3702 organism . 'Arabidopsis thaliana' 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 17143 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 17143 _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 $HYL1_dsRBD_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-TEV . . . . . . 17143 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Isotropic_sample _Sample.Sf_category sample _Sample.Sf_framecode Isotropic_sample _Sample.Entry_ID 17143 _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 'HYL1 dsRBD 1' '[U-100% 13C; U-100% 15N]' . . 1 $HYL1_dsRBD_1 . . 0.5 . . mM . . . . 17143 1 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 17143 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17143 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17143 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 17143 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17143 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17143 1 stop_ save_ save_Aligned_sample _Sample.Sf_category sample _Sample.Sf_framecode Aligned_sample _Sample.Entry_ID 17143 _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 'HYL1 dsRBD 1' '[U-100% 13C; U-100% 15N]' . . 1 $HYL1_dsRBD_1 . . 0.5 . . mM . . . . 17143 2 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 17143 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17143 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17143 2 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 17143 2 6 C12E5 'natural abundance' . . . . . . 5 . . % . . . . 17143 2 7 Hexanol 'natural abundance' . . . . . . 0.2 . . % . . . . 17143 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17143 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17143 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 17143 _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 pH 7.0 . pH 17143 1 pressure 1 . atm 17143 1 temperature 298 . K 17143 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17143 _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' . . 17143 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17143 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17143 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17143 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17143 2 'data analysis' 17143 2 'peak picking' 17143 2 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 17143 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DirectDrive _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 17143 _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 Varian DirectDrive . 600 'Equipped with cryoprobe' . . 17143 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 17143 _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 $Isotropic_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 2 '3D HNCO' no . . . . . . . . . . 1 $Isotropic_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 3 '3D HNCA' no . . . . . . . . . . 1 $Isotropic_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 4 '3D HNCACB' no . . . . . . . . . . 1 $Isotropic_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $Isotropic_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $Isotropic_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $Isotropic_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $Isotropic_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 9 '3D HNCO JNH' no . . . . . . . . . . 1 $Isotropic_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 10 '3D HNCOCA JCAHA' no . . . . . . . . . . 1 $Isotropic_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 11 '3D HNCO JCACO' no . . . . . . . . . . 1 $Isotropic_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 12 '3D HNCO JCH' no . . . . . . . . . . 1 $Isotropic_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 13 '3D HNCO JNH' no . . . . . . . . . . 2 $Aligned_sample anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 14 '3D HNCOCA JCAHA' no . . . . . . . . . . 2 $Aligned_sample anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 15 '3D HNCO JCACO' no . . . . . . . . . . 2 $Aligned_sample anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 1 16 '3D HNCO JCH' no . . . . . . . . . . 2 $Aligned_sample anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17143 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 17143 _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 water protons . . . . ppm 4.77 internal indirect 0.251449530 . . . . . . . . . 17143 1 H 1 water protons . . . . ppm 4.77 internal direct 1.000000000 . . . . . . . . . 17143 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.101329118 . . . . . . . . . 17143 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 17143 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17143 1 2 '3D HNCO' . . . 17143 1 3 '3D HNCA' . . . 17143 1 4 '3D HNCACB' . . . 17143 1 5 '3D HN(CO)CA' . . . 17143 1 6 '3D HN(COCA)CB' . . . 17143 1 7 '3D HN(CA)CO' . . . 17143 1 8 '3D HBHA(CO)NH' . . . 17143 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 17143 1 2 $NMRView . . 17143 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 6 6 SER HA H 1 4.410 0.030 . 1 . . . . 3 S HA . 17143 1 2 . 1 1 6 6 SER C C 13 175.020 0.300 . 1 . . . . 3 S C . 17143 1 3 . 1 1 6 6 SER CA C 13 58.590 0.300 . 1 . . . . 3 S CA . 17143 1 4 . 1 1 6 6 SER CB C 13 64.026 0.300 . 1 . . . . 3 S CB . 17143 1 5 . 1 1 7 7 THR H H 1 8.160 0.030 . 1 . . . . 4 T H . 17143 1 6 . 1 1 7 7 THR HA H 1 4.210 0.030 . 1 . . . . 4 T HA . 17143 1 7 . 1 1 7 7 THR C C 13 174.390 0.300 . 1 . . . . 4 T C . 17143 1 8 . 1 1 7 7 THR CA C 13 62.151 0.300 . 1 . . . . 4 T CA . 17143 1 9 . 1 1 7 7 THR CB C 13 69.719 0.300 . 1 . . . . 4 T CB . 17143 1 10 . 1 1 7 7 THR N N 15 115.160 0.300 . 1 . . . . 4 T N . 17143 1 11 . 1 1 8 8 ASP H H 1 8.234 0.030 . 1 . . . . 5 D H . 17143 1 12 . 1 1 8 8 ASP HA H 1 4.540 0.030 . 1 . . . . 5 D HA . 17143 1 13 . 1 1 8 8 ASP C C 13 176.580 0.300 . 1 . . . . 5 D C . 17143 1 14 . 1 1 8 8 ASP CA C 13 54.542 0.300 . 1 . . . . 5 D CA . 17143 1 15 . 1 1 8 8 ASP CB C 13 41.236 0.300 . 1 . . . . 5 D CB . 17143 1 16 . 1 1 8 8 ASP N N 15 122.750 0.300 . 1 . . . . 5 D N . 17143 1 17 . 1 1 9 9 VAL H H 1 8.072 0.030 . 1 . . . . 6 V H . 17143 1 18 . 1 1 9 9 VAL HA H 1 4.060 0.030 . 1 . . . . 6 V HA . 17143 1 19 . 1 1 9 9 VAL C C 13 176.650 0.300 . 1 . . . . 6 V C . 17143 1 20 . 1 1 9 9 VAL CA C 13 62.527 0.300 . 1 . . . . 6 V CA . 17143 1 21 . 1 1 9 9 VAL CB C 13 32.394 0.300 . 1 . . . . 6 V CB . 17143 1 22 . 1 1 9 9 VAL N N 15 119.830 0.300 . 1 . . . . 6 V N . 17143 1 23 . 1 1 10 10 SER H H 1 8.371 0.030 . 1 . . . . 7 S H . 17143 1 24 . 1 1 10 10 SER HA H 1 4.330 0.030 . 1 . . . . 7 S HA . 17143 1 25 . 1 1 10 10 SER C C 13 175.090 0.300 . 1 . . . . 7 S C . 17143 1 26 . 1 1 10 10 SER CA C 13 58.898 0.300 . 1 . . . . 7 S CA . 17143 1 27 . 1 1 10 10 SER CB C 13 63.849 0.300 . 1 . . . . 7 S CB . 17143 1 28 . 1 1 10 10 SER N N 15 118.640 0.300 . 1 . . . . 7 S N . 17143 1 29 . 1 1 11 11 SER H H 1 8.324 0.030 . 1 . . . . 8 S H . 17143 1 30 . 1 1 11 11 SER C C 13 175.110 0.300 . 1 . . . . 8 S C . 17143 1 31 . 1 1 11 11 SER N N 15 110.590 0.300 . 1 . . . . 8 S N . 17143 1 32 . 1 1 12 12 GLY C C 13 174.310 0.300 . 1 . . . . 9 G C . 17143 1 33 . 1 1 12 12 GLY CA C 13 45.465 0.300 . 1 . . . . 9 G CA . 17143 1 34 . 1 1 13 13 VAL H H 1 7.886 0.030 . 1 . . . . 10 V H . 17143 1 35 . 1 1 13 13 VAL HA H 1 4.050 0.030 . 1 . . . . 10 V HA . 17143 1 36 . 1 1 13 13 VAL C C 13 176.460 0.300 . 1 . . . . 10 V C . 17143 1 37 . 1 1 13 13 VAL CA C 13 62.483 0.300 . 1 . . . . 10 V CA . 17143 1 38 . 1 1 13 13 VAL CB C 13 32.506 0.300 . 1 . . . . 10 V CB . 17143 1 39 . 1 1 13 13 VAL N N 15 118.690 0.300 . 1 . . . . 10 V N . 17143 1 40 . 1 1 14 14 SER H H 1 8.312 0.030 . 1 . . . . 11 S H . 17143 1 41 . 1 1 14 14 SER C C 13 174.510 0.300 . 1 . . . . 11 S C . 17143 1 42 . 1 1 14 14 SER CA C 13 58.418 0.300 . 1 . . . . 11 S CA . 17143 1 43 . 1 1 14 14 SER CB C 13 63.790 0.300 . 1 . . . . 11 S CB . 17143 1 44 . 1 1 14 14 SER N N 15 118.460 0.300 . 1 . . . . 11 S N . 17143 1 45 . 1 1 16 16 CYS HA H 1 4.280 0.030 . 1 . . . . 13 C HA . 17143 1 46 . 1 1 16 16 CYS C C 13 174.450 0.300 . 1 . . . . 13 C C . 17143 1 47 . 1 1 16 16 CYS CA C 13 58.764 0.300 . 1 . . . . 13 C CA . 17143 1 48 . 1 1 16 16 CYS CB C 13 27.622 0.300 . 1 . . . . 13 C CB . 17143 1 49 . 1 1 17 17 TYR H H 1 8.131 0.030 . 1 . . . . 14 Y H . 17143 1 50 . 1 1 17 17 TYR HA H 1 4.520 0.030 . 1 . . . . 14 Y HA . 17143 1 51 . 1 1 17 17 TYR C C 13 176.780 0.300 . 1 . . . . 14 Y C . 17143 1 52 . 1 1 17 17 TYR CA C 13 56.692 0.300 . 1 . . . . 14 Y CA . 17143 1 53 . 1 1 17 17 TYR CB C 13 37.716 0.300 . 1 . . . . 14 Y CB . 17143 1 54 . 1 1 17 17 TYR N N 15 121.160 0.300 . 1 . . . . 14 Y N . 17143 1 55 . 1 1 18 18 VAL H H 1 7.387 0.030 . 1 . . . . 15 V H . 17143 1 56 . 1 1 18 18 VAL HA H 1 4.270 0.030 . 1 . . . . 15 V HA . 17143 1 57 . 1 1 18 18 VAL C C 13 176.420 0.300 . 1 . . . . 15 V C . 17143 1 58 . 1 1 18 18 VAL CA C 13 61.599 0.300 . 1 . . . . 15 V CA . 17143 1 59 . 1 1 18 18 VAL CB C 13 32.453 0.300 . 1 . . . . 15 V CB . 17143 1 60 . 1 1 18 18 VAL N N 15 113.530 0.300 . 1 . . . . 15 V N . 17143 1 61 . 1 1 19 19 PHE H H 1 7.272 0.030 . 1 . . . . 16 F H . 17143 1 62 . 1 1 19 19 PHE HA H 1 3.950 0.030 . 1 . . . . 16 F HA . 17143 1 63 . 1 1 19 19 PHE C C 13 177.950 0.300 . 1 . . . . 16 F C . 17143 1 64 . 1 1 19 19 PHE CA C 13 62.281 0.300 . 1 . . . . 16 F CA . 17143 1 65 . 1 1 19 19 PHE CB C 13 38.656 0.300 . 1 . . . . 16 F CB . 17143 1 66 . 1 1 19 19 PHE N N 15 121.120 0.300 . 1 . . . . 16 F N . 17143 1 67 . 1 1 20 20 LYS H H 1 8.575 0.030 . 1 . . . . 17 K H . 17143 1 68 . 1 1 20 20 LYS C C 13 180.800 0.300 . 1 . . . . 17 K C . 17143 1 69 . 1 1 20 20 LYS CA C 13 60.913 0.300 . 1 . . . . 17 K CA . 17143 1 70 . 1 1 20 20 LYS CB C 13 31.689 0.300 . 1 . . . . 17 K CB . 17143 1 71 . 1 1 20 20 LYS N N 15 119.160 0.300 . 1 . . . . 17 K N . 17143 1 72 . 1 1 21 21 SER H H 1 8.228 0.030 . 1 . . . . 18 S H . 17143 1 73 . 1 1 21 21 SER CA C 13 61.564 0.300 . 1 . . . . 18 S CA . 17143 1 74 . 1 1 21 21 SER N N 15 116.440 0.300 . 1 . . . . 18 S N . 17143 1 75 . 1 1 22 22 ARG HA H 1 4.120 0.030 . 1 . . . . 19 R HA . 17143 1 76 . 1 1 22 22 ARG C C 13 179.830 0.300 . 1 . . . . 19 R C . 17143 1 77 . 1 1 22 22 ARG CA C 13 59.280 0.300 . 1 . . . . 19 R CA . 17143 1 78 . 1 1 22 22 ARG CB C 13 30.686 0.300 . 1 . . . . 19 R CB . 17143 1 79 . 1 1 23 23 LEU H H 1 8.703 0.030 . 1 . . . . 20 L H . 17143 1 80 . 1 1 23 23 LEU HA H 1 4.210 0.030 . 1 . . . . 20 L HA . 17143 1 81 . 1 1 23 23 LEU C C 13 177.930 0.300 . 1 . . . . 20 L C . 17143 1 82 . 1 1 23 23 LEU CA C 13 57.755 0.300 . 1 . . . . 20 L CA . 17143 1 83 . 1 1 23 23 LEU CB C 13 41.442 0.300 . 1 . . . . 20 L CB . 17143 1 84 . 1 1 23 23 LEU N N 15 122.780 0.300 . 1 . . . . 20 L N . 17143 1 85 . 1 1 24 24 GLN H H 1 8.000 0.030 . 1 . . . . 21 Q H . 17143 1 86 . 1 1 24 24 GLN HA H 1 3.910 0.030 . 1 . . . . 21 Q HA . 17143 1 87 . 1 1 24 24 GLN C C 13 178.590 0.300 . 1 . . . . 21 Q C . 17143 1 88 . 1 1 24 24 GLN CA C 13 59.451 0.300 . 1 . . . . 21 Q CA . 17143 1 89 . 1 1 24 24 GLN CB C 13 27.965 0.300 . 1 . . . . 21 Q CB . 17143 1 90 . 1 1 24 24 GLN N N 15 120.270 0.300 . 1 . . . . 21 Q N . 17143 1 91 . 1 1 25 25 GLU H H 1 8.172 0.030 . 1 . . . . 22 E H . 17143 1 92 . 1 1 25 25 GLU HA H 1 3.970 0.030 . 1 . . . . 22 E HA . 17143 1 93 . 1 1 25 25 GLU C C 13 178.860 0.300 . 1 . . . . 22 E C . 17143 1 94 . 1 1 25 25 GLU CA C 13 59.546 0.300 . 1 . . . . 22 E CA . 17143 1 95 . 1 1 25 25 GLU CB C 13 29.386 0.300 . 1 . . . . 22 E CB . 17143 1 96 . 1 1 25 25 GLU N N 15 119.610 0.300 . 1 . . . . 22 E N . 17143 1 97 . 1 1 26 26 TYR H H 1 8.099 0.030 . 1 . . . . 23 Y H . 17143 1 98 . 1 1 26 26 TYR HA H 1 4.050 0.030 . 1 . . . . 23 Y HA . 17143 1 99 . 1 1 26 26 TYR C C 13 176.790 0.300 . 1 . . . . 23 Y C . 17143 1 100 . 1 1 26 26 TYR CA C 13 62.218 0.300 . 1 . . . . 23 Y CA . 17143 1 101 . 1 1 26 26 TYR CB C 13 38.382 0.300 . 1 . . . . 23 Y CB . 17143 1 102 . 1 1 26 26 TYR N N 15 122.630 0.300 . 1 . . . . 23 Y N . 17143 1 103 . 1 1 27 27 ALA H H 1 8.431 0.030 . 1 . . . . 24 A H . 17143 1 104 . 1 1 27 27 ALA HA H 1 3.920 0.030 . 1 . . . . 24 A HA . 17143 1 105 . 1 1 27 27 ALA C C 13 179.250 0.300 . 1 . . . . 24 A C . 17143 1 106 . 1 1 27 27 ALA CA C 13 55.582 0.300 . 1 . . . . 24 A CA . 17143 1 107 . 1 1 27 27 ALA CB C 13 17.599 0.300 . 1 . . . . 24 A CB . 17143 1 108 . 1 1 27 27 ALA N N 15 120.250 0.300 . 1 . . . . 24 A N . 17143 1 109 . 1 1 28 28 GLN H H 1 8.073 0.030 . 1 . . . . 25 Q H . 17143 1 110 . 1 1 28 28 GLN C C 13 179.760 0.300 . 1 . . . . 25 Q C . 17143 1 111 . 1 1 28 28 GLN CA C 13 58.782 0.300 . 1 . . . . 25 Q CA . 17143 1 112 . 1 1 28 28 GLN CB C 13 28.655 0.300 . 1 . . . . 25 Q CB . 17143 1 113 . 1 1 28 28 GLN N N 15 115.210 0.300 . 1 . . . . 25 Q N . 17143 1 114 . 1 1 29 29 LYS HA H 1 3.710 0.030 . 1 . . . . 26 K HA . 17143 1 115 . 1 1 29 29 LYS C C 13 177.970 0.300 . 1 . . . . 26 K C . 17143 1 116 . 1 1 29 29 LYS CA C 13 59.316 0.300 . 1 . . . . 26 K CA . 17143 1 117 . 1 1 29 29 LYS CB C 13 31.968 0.300 . 1 . . . . 26 K CB . 17143 1 118 . 1 1 30 30 TYR H H 1 7.542 0.030 . 1 . . . . 27 Y H . 17143 1 119 . 1 1 30 30 TYR HA H 1 4.180 0.030 . 1 . . . . 27 Y HA . 17143 1 120 . 1 1 30 30 TYR C C 13 173.330 0.300 . 1 . . . . 27 Y C . 17143 1 121 . 1 1 30 30 TYR CA C 13 58.900 0.300 . 1 . . . . 27 Y CA . 17143 1 122 . 1 1 30 30 TYR CB C 13 37.075 0.300 . 1 . . . . 27 Y CB . 17143 1 123 . 1 1 30 30 TYR N N 15 114.480 0.300 . 1 . . . . 27 Y N . 17143 1 124 . 1 1 31 31 LYS H H 1 7.596 0.030 . 1 . . . . 28 K H . 17143 1 125 . 1 1 31 31 LYS HA H 1 3.810 0.030 . 1 . . . . 28 K HA . 17143 1 126 . 1 1 31 31 LYS C C 13 175.750 0.300 . 1 . . . . 28 K C . 17143 1 127 . 1 1 31 31 LYS CA C 13 57.154 0.300 . 1 . . . . 28 K CA . 17143 1 128 . 1 1 31 31 LYS CB C 13 28.355 0.300 . 1 . . . . 28 K CB . 17143 1 129 . 1 1 31 31 LYS N N 15 116.640 0.300 . 1 . . . . 28 K N . 17143 1 130 . 1 1 32 32 LEU H H 1 8.794 0.030 . 1 . . . . 29 L H . 17143 1 131 . 1 1 32 32 LEU C C 13 174.430 0.300 . 1 . . . . 29 L C . 17143 1 132 . 1 1 32 32 LEU CA C 13 52.172 0.300 . 1 . . . . 29 L CA . 17143 1 133 . 1 1 32 32 LEU CB C 13 42.165 0.300 . 1 . . . . 29 L CB . 17143 1 134 . 1 1 32 32 LEU N N 15 119.670 0.300 . 1 . . . . 29 L N . 17143 1 135 . 1 1 35 35 PRO HA H 1 4.340 0.030 . 1 . . . . 32 P HA . 17143 1 136 . 1 1 35 35 PRO C C 13 175.300 0.300 . 1 . . . . 32 P C . 17143 1 137 . 1 1 35 35 PRO CA C 13 63.464 0.300 . 1 . . . . 32 P CA . 17143 1 138 . 1 1 35 35 PRO CB C 13 32.689 0.300 . 1 . . . . 32 P CB . 17143 1 139 . 1 1 36 36 VAL H H 1 7.511 0.030 . 1 . . . . 33 V H . 17143 1 140 . 1 1 36 36 VAL HA H 1 4.220 0.030 . 1 . . . . 33 V HA . 17143 1 141 . 1 1 36 36 VAL C C 13 173.790 0.300 . 1 . . . . 33 V C . 17143 1 142 . 1 1 36 36 VAL CA C 13 61.224 0.300 . 1 . . . . 33 V CA . 17143 1 143 . 1 1 36 36 VAL CB C 13 35.224 0.300 . 1 . . . . 33 V CB . 17143 1 144 . 1 1 36 36 VAL N N 15 122.150 0.300 . 1 . . . . 33 V N . 17143 1 145 . 1 1 37 37 TYR H H 1 8.762 0.030 . 1 . . . . 34 Y H . 17143 1 146 . 1 1 37 37 TYR HA H 1 5.020 0.030 . 1 . . . . 34 Y HA . 17143 1 147 . 1 1 37 37 TYR C C 13 176.470 0.300 . 1 . . . . 34 Y C . 17143 1 148 . 1 1 37 37 TYR CA C 13 57.611 0.300 . 1 . . . . 34 Y CA . 17143 1 149 . 1 1 37 37 TYR CB C 13 40.297 0.300 . 1 . . . . 34 Y CB . 17143 1 150 . 1 1 37 37 TYR N N 15 123.800 0.300 . 1 . . . . 34 Y N . 17143 1 151 . 1 1 38 38 GLU H H 1 9.362 0.030 . 1 . . . . 35 E H . 17143 1 152 . 1 1 38 38 GLU HA H 1 4.610 0.030 . 1 . . . . 35 E HA . 17143 1 153 . 1 1 38 38 GLU C C 13 176.250 0.300 . 1 . . . . 35 E C . 17143 1 154 . 1 1 38 38 GLU CA C 13 54.704 0.300 . 1 . . . . 35 E CA . 17143 1 155 . 1 1 38 38 GLU CB C 13 32.997 0.300 . 1 . . . . 35 E CB . 17143 1 156 . 1 1 38 38 GLU N N 15 123.010 0.300 . 1 . . . . 35 E N . 17143 1 157 . 1 1 39 39 ILE H H 1 8.873 0.030 . 1 . . . . 36 I H . 17143 1 158 . 1 1 39 39 ILE HA H 1 5.000 0.030 . 1 . . . . 36 I HA . 17143 1 159 . 1 1 39 39 ILE C C 13 174.980 0.300 . 1 . . . . 36 I C . 17143 1 160 . 1 1 39 39 ILE CA C 13 58.454 0.300 . 1 . . . . 36 I CA . 17143 1 161 . 1 1 39 39 ILE CB C 13 40.867 0.300 . 1 . . . . 36 I CB . 17143 1 162 . 1 1 39 39 ILE N N 15 123.360 0.300 . 1 . . . . 36 I N . 17143 1 163 . 1 1 40 40 VAL H H 1 8.820 0.030 . 1 . . . . 37 V H . 17143 1 164 . 1 1 40 40 VAL HA H 1 4.170 0.030 . 1 . . . . 37 V HA . 17143 1 165 . 1 1 40 40 VAL C C 13 174.200 0.300 . 1 . . . . 37 V C . 17143 1 166 . 1 1 40 40 VAL CA C 13 61.924 0.300 . 1 . . . . 37 V CA . 17143 1 167 . 1 1 40 40 VAL CB C 13 34.438 0.300 . 1 . . . . 37 V CB . 17143 1 168 . 1 1 40 40 VAL N N 15 127.130 0.300 . 1 . . . . 37 V N . 17143 1 169 . 1 1 41 41 LYS H H 1 8.447 0.030 . 1 . . . . 38 K H . 17143 1 170 . 1 1 41 41 LYS HA H 1 4.730 0.030 . 1 . . . . 38 K HA . 17143 1 171 . 1 1 41 41 LYS C C 13 175.550 0.300 . 1 . . . . 38 K C . 17143 1 172 . 1 1 41 41 LYS CA C 13 54.566 0.300 . 1 . . . . 38 K CA . 17143 1 173 . 1 1 41 41 LYS CB C 13 34.666 0.300 . 1 . . . . 38 K CB . 17143 1 174 . 1 1 41 41 LYS N N 15 127.300 0.300 . 1 . . . . 38 K N . 17143 1 175 . 1 1 42 42 GLU H H 1 8.658 0.030 . 1 . . . . 39 E H . 17143 1 176 . 1 1 42 42 GLU HA H 1 4.490 0.030 . 1 . . . . 39 E HA . 17143 1 177 . 1 1 42 42 GLU C C 13 175.170 0.300 . 1 . . . . 39 E C . 17143 1 178 . 1 1 42 42 GLU CA C 13 55.056 0.300 . 1 . . . . 39 E CA . 17143 1 179 . 1 1 42 42 GLU CB C 13 33.337 0.300 . 1 . . . . 39 E CB . 17143 1 180 . 1 1 42 42 GLU N N 15 123.990 0.300 . 1 . . . . 39 E N . 17143 1 181 . 1 1 43 43 GLY H H 1 8.306 0.030 . 1 . . . . 40 G H . 17143 1 182 . 1 1 43 43 GLY C C 13 175.150 0.300 . 1 . . . . 40 G C . 17143 1 183 . 1 1 43 43 GLY CA C 13 44.114 0.300 . 1 . . . . 40 G CA . 17143 1 184 . 1 1 43 43 GLY N N 15 108.470 0.300 . 1 . . . . 40 G N . 17143 1 185 . 1 1 46 46 HIS HA H 1 4.550 0.030 . 1 . . . . 43 H HA . 17143 1 186 . 1 1 46 46 HIS C C 13 175.290 0.300 . 1 . . . . 43 H C . 17143 1 187 . 1 1 46 46 HIS CA C 13 56.642 0.300 . 1 . . . . 43 H CA . 17143 1 188 . 1 1 46 46 HIS CB C 13 30.074 0.300 . 1 . . . . 43 H CB . 17143 1 189 . 1 1 47 47 LYS H H 1 7.477 0.030 . 1 . . . . 44 K H . 17143 1 190 . 1 1 47 47 LYS HA H 1 4.270 0.030 . 1 . . . . 44 K HA . 17143 1 191 . 1 1 47 47 LYS C C 13 173.780 0.300 . 1 . . . . 44 K C . 17143 1 192 . 1 1 47 47 LYS CA C 13 55.644 0.300 . 1 . . . . 44 K CA . 17143 1 193 . 1 1 47 47 LYS CB C 13 32.260 0.300 . 1 . . . . 44 K CB . 17143 1 194 . 1 1 47 47 LYS N N 15 123.940 0.300 . 1 . . . . 44 K N . 17143 1 195 . 1 1 48 48 SER H H 1 8.013 0.030 . 1 . . . . 45 S H . 17143 1 196 . 1 1 48 48 SER HA H 1 4.260 0.030 . 1 . . . . 45 S HA . 17143 1 197 . 1 1 48 48 SER C C 13 172.790 0.300 . 1 . . . . 45 S C . 17143 1 198 . 1 1 48 48 SER CA C 13 59.171 0.300 . 1 . . . . 45 S CA . 17143 1 199 . 1 1 48 48 SER CB C 13 64.368 0.300 . 1 . . . . 45 S CB . 17143 1 200 . 1 1 48 48 SER N N 15 117.640 0.300 . 1 . . . . 45 S N . 17143 1 201 . 1 1 49 49 LEU H H 1 8.301 0.030 . 1 . . . . 46 L H . 17143 1 202 . 1 1 49 49 LEU HA H 1 4.890 0.030 . 1 . . . . 46 L HA . 17143 1 203 . 1 1 49 49 LEU C C 13 176.900 0.300 . 1 . . . . 46 L C . 17143 1 204 . 1 1 49 49 LEU CA C 13 53.100 0.300 . 1 . . . . 46 L CA . 17143 1 205 . 1 1 49 49 LEU CB C 13 44.854 0.300 . 1 . . . . 46 L CB . 17143 1 206 . 1 1 49 49 LEU N N 15 121.190 0.300 . 1 . . . . 46 L N . 17143 1 207 . 1 1 50 50 PHE H H 1 9.342 0.030 . 1 . . . . 47 F H . 17143 1 208 . 1 1 50 50 PHE HA H 1 5.130 0.030 . 1 . . . . 47 F HA . 17143 1 209 . 1 1 50 50 PHE C C 13 174.390 0.300 . 1 . . . . 47 F C . 17143 1 210 . 1 1 50 50 PHE CA C 13 57.950 0.300 . 1 . . . . 47 F CA . 17143 1 211 . 1 1 50 50 PHE CB C 13 43.642 0.300 . 1 . . . . 47 F CB . 17143 1 212 . 1 1 50 50 PHE N N 15 118.030 0.300 . 1 . . . . 47 F N . 17143 1 213 . 1 1 51 51 GLN H H 1 8.547 0.030 . 1 . . . . 48 Q H . 17143 1 214 . 1 1 51 51 GLN HA H 1 4.510 0.030 . 1 . . . . 48 Q HA . 17143 1 215 . 1 1 51 51 GLN C C 13 173.660 0.300 . 1 . . . . 48 Q C . 17143 1 216 . 1 1 51 51 GLN CA C 13 55.049 0.300 . 1 . . . . 48 Q CA . 17143 1 217 . 1 1 51 51 GLN CB C 13 32.317 0.300 . 1 . . . . 48 Q CB . 17143 1 218 . 1 1 51 51 GLN N N 15 118.130 0.300 . 1 . . . . 48 Q N . 17143 1 219 . 1 1 52 52 SER H H 1 9.097 0.030 . 1 . . . . 49 S H . 17143 1 220 . 1 1 52 52 SER HA H 1 5.640 0.030 . 1 . . . . 49 S HA . 17143 1 221 . 1 1 52 52 SER C C 13 172.990 0.300 . 1 . . . . 49 S C . 17143 1 222 . 1 1 52 52 SER CA C 13 55.574 0.300 . 1 . . . . 49 S CA . 17143 1 223 . 1 1 52 52 SER CB C 13 66.214 0.300 . 1 . . . . 49 S CB . 17143 1 224 . 1 1 52 52 SER N N 15 117.520 0.300 . 1 . . . . 49 S N . 17143 1 225 . 1 1 53 53 THR H H 1 8.477 0.030 . 1 . . . . 50 T H . 17143 1 226 . 1 1 53 53 THR HA H 1 5.210 0.030 . 1 . . . . 50 T HA . 17143 1 227 . 1 1 53 53 THR C C 13 172.790 0.300 . 1 . . . . 50 T C . 17143 1 228 . 1 1 53 53 THR CA C 13 61.510 0.300 . 1 . . . . 50 T CA . 17143 1 229 . 1 1 53 53 THR CB C 13 72.716 0.300 . 1 . . . . 50 T CB . 17143 1 230 . 1 1 53 53 THR N N 15 124.240 0.300 . 1 . . . . 50 T N . 17143 1 231 . 1 1 54 54 VAL H H 1 9.260 0.030 . 1 . . . . 51 V H . 17143 1 232 . 1 1 54 54 VAL HA H 1 4.980 0.030 . 1 . . . . 51 V HA . 17143 1 233 . 1 1 54 54 VAL C C 13 172.310 0.300 . 1 . . . . 51 V C . 17143 1 234 . 1 1 54 54 VAL CA C 13 57.702 0.300 . 1 . . . . 51 V CA . 17143 1 235 . 1 1 54 54 VAL CB C 13 34.626 0.300 . 1 . . . . 51 V CB . 17143 1 236 . 1 1 54 54 VAL N N 15 125.340 0.300 . 1 . . . . 51 V N . 17143 1 237 . 1 1 55 55 ILE H H 1 8.908 0.030 . 1 . . . . 52 I H . 17143 1 238 . 1 1 55 55 ILE HA H 1 4.810 0.030 . 1 . . . . 52 I HA . 17143 1 239 . 1 1 55 55 ILE C C 13 176.620 0.300 . 1 . . . . 52 I C . 17143 1 240 . 1 1 55 55 ILE CA C 13 60.379 0.300 . 1 . . . . 52 I CA . 17143 1 241 . 1 1 55 55 ILE CB C 13 39.154 0.300 . 1 . . . . 52 I CB . 17143 1 242 . 1 1 55 55 ILE N N 15 127.680 0.300 . 1 . . . . 52 I N . 17143 1 243 . 1 1 56 56 LEU H H 1 8.955 0.030 . 1 . . . . 53 L H . 17143 1 244 . 1 1 56 56 LEU HA H 1 4.820 0.030 . 1 . . . . 53 L HA . 17143 1 245 . 1 1 56 56 LEU C C 13 176.590 0.300 . 1 . . . . 53 L C . 17143 1 246 . 1 1 56 56 LEU CA C 13 53.133 0.300 . 1 . . . . 53 L CA . 17143 1 247 . 1 1 56 56 LEU CB C 13 45.131 0.300 . 1 . . . . 53 L CB . 17143 1 248 . 1 1 56 56 LEU N N 15 129.100 0.300 . 1 . . . . 53 L N . 17143 1 249 . 1 1 57 57 ASP H H 1 9.930 0.030 . 1 . . . . 54 D H . 17143 1 250 . 1 1 57 57 ASP HA H 1 4.210 0.030 . 1 . . . . 54 D HA . 17143 1 251 . 1 1 57 57 ASP C C 13 175.280 0.300 . 1 . . . . 54 D C . 17143 1 252 . 1 1 57 57 ASP CA C 13 54.660 0.300 . 1 . . . . 54 D CA . 17143 1 253 . 1 1 57 57 ASP CB C 13 41.334 0.300 . 1 . . . . 54 D CB . 17143 1 254 . 1 1 57 57 ASP N N 15 131.490 0.300 . 1 . . . . 54 D N . 17143 1 255 . 1 1 58 58 GLY H H 1 8.120 0.030 . 1 . . . . 55 G H . 17143 1 256 . 1 1 58 58 GLY C C 13 174.350 0.300 . 1 . . . . 55 G C . 17143 1 257 . 1 1 58 58 GLY CA C 13 45.368 0.300 . 1 . . . . 55 G CA . 17143 1 258 . 1 1 58 58 GLY N N 15 101.610 0.300 . 1 . . . . 55 G N . 17143 1 259 . 1 1 59 59 VAL H H 1 7.628 0.030 . 1 . . . . 56 V H . 17143 1 260 . 1 1 59 59 VAL HA H 1 3.760 0.030 . 1 . . . . 56 V HA . 17143 1 261 . 1 1 59 59 VAL C C 13 173.420 0.300 . 1 . . . . 56 V C . 17143 1 262 . 1 1 59 59 VAL CA C 13 61.934 0.300 . 1 . . . . 56 V CA . 17143 1 263 . 1 1 59 59 VAL CB C 13 32.797 0.300 . 1 . . . . 56 V CB . 17143 1 264 . 1 1 59 59 VAL N N 15 123.920 0.300 . 1 . . . . 56 V N . 17143 1 265 . 1 1 60 60 ARG H H 1 7.789 0.030 . 1 . . . . 57 R H . 17143 1 266 . 1 1 60 60 ARG HA H 1 4.420 0.030 . 1 . . . . 57 R HA . 17143 1 267 . 1 1 60 60 ARG C C 13 175.650 0.300 . 1 . . . . 57 R C . 17143 1 268 . 1 1 60 60 ARG CA C 13 55.274 0.300 . 1 . . . . 57 R CA . 17143 1 269 . 1 1 60 60 ARG CB C 13 32.035 0.300 . 1 . . . . 57 R CB . 17143 1 270 . 1 1 60 60 ARG N N 15 123.800 0.300 . 1 . . . . 57 R N . 17143 1 271 . 1 1 61 61 TYR H H 1 9.091 0.030 . 1 . . . . 58 Y H . 17143 1 272 . 1 1 61 61 TYR HA H 1 4.580 0.030 . 1 . . . . 58 Y HA . 17143 1 273 . 1 1 61 61 TYR C C 13 174.480 0.300 . 1 . . . . 58 Y C . 17143 1 274 . 1 1 61 61 TYR CA C 13 56.721 0.300 . 1 . . . . 58 Y CA . 17143 1 275 . 1 1 61 61 TYR CB C 13 39.282 0.300 . 1 . . . . 58 Y CB . 17143 1 276 . 1 1 61 61 TYR N N 15 122.690 0.300 . 1 . . . . 58 Y N . 17143 1 277 . 1 1 62 62 ASN H H 1 8.902 0.030 . 1 . . . . 59 N H . 17143 1 278 . 1 1 62 62 ASN HA H 1 5.240 0.030 . 1 . . . . 59 N HA . 17143 1 279 . 1 1 62 62 ASN C C 13 175.380 0.300 . 1 . . . . 59 N C . 17143 1 280 . 1 1 62 62 ASN CA C 13 52.689 0.300 . 1 . . . . 59 N CA . 17143 1 281 . 1 1 62 62 ASN CB C 13 40.881 0.300 . 1 . . . . 59 N CB . 17143 1 282 . 1 1 62 62 ASN N N 15 121.250 0.300 . 1 . . . . 59 N N . 17143 1 283 . 1 1 63 63 SER H H 1 9.404 0.030 . 1 . . . . 60 S H . 17143 1 284 . 1 1 63 63 SER C C 13 175.310 0.300 . 1 . . . . 60 S C . 17143 1 285 . 1 1 63 63 SER CA C 13 58.565 0.300 . 1 . . . . 60 S CA . 17143 1 286 . 1 1 63 63 SER CB C 13 67.135 0.300 . 1 . . . . 60 S CB . 17143 1 287 . 1 1 63 63 SER N N 15 114.980 0.300 . 1 . . . . 60 S N . 17143 1 288 . 1 1 65 65 PRO HA H 1 4.630 0.030 . 1 . . . . 62 P HA . 17143 1 289 . 1 1 65 65 PRO C C 13 178.490 0.300 . 1 . . . . 62 P C . 17143 1 290 . 1 1 65 65 PRO CA C 13 62.380 0.300 . 1 . . . . 62 P CA . 17143 1 291 . 1 1 65 65 PRO CB C 13 32.051 0.300 . 1 . . . . 62 P CB . 17143 1 292 . 1 1 66 66 GLY H H 1 8.691 0.030 . 1 . . . . 63 G H . 17143 1 293 . 1 1 66 66 GLY C C 13 174.800 0.300 . 1 . . . . 63 G C . 17143 1 294 . 1 1 66 66 GLY CA C 13 47.183 0.300 . 1 . . . . 63 G CA . 17143 1 295 . 1 1 66 66 GLY N N 15 104.740 0.300 . 1 . . . . 63 G N . 17143 1 296 . 1 1 67 67 PHE H H 1 8.383 0.030 . 1 . . . . 64 F H . 17143 1 297 . 1 1 67 67 PHE HA H 1 4.190 0.030 . 1 . . . . 64 F HA . 17143 1 298 . 1 1 67 67 PHE C C 13 176.860 0.300 . 1 . . . . 64 F C . 17143 1 299 . 1 1 67 67 PHE CA C 13 59.966 0.300 . 1 . . . . 64 F CA . 17143 1 300 . 1 1 67 67 PHE CB C 13 40.718 0.300 . 1 . . . . 64 F CB . 17143 1 301 . 1 1 67 67 PHE N N 15 117.500 0.300 . 1 . . . . 64 F N . 17143 1 302 . 1 1 68 68 PHE H H 1 9.202 0.030 . 1 . . . . 65 F H . 17143 1 303 . 1 1 68 68 PHE HA H 1 5.060 0.030 . 1 . . . . 65 F HA . 17143 1 304 . 1 1 68 68 PHE C C 13 175.760 0.300 . 1 . . . . 65 F C . 17143 1 305 . 1 1 68 68 PHE CA C 13 57.773 0.300 . 1 . . . . 65 F CA . 17143 1 306 . 1 1 68 68 PHE CB C 13 39.239 0.300 . 1 . . . . 65 F CB . 17143 1 307 . 1 1 68 68 PHE N N 15 117.050 0.300 . 1 . . . . 65 F N . 17143 1 308 . 1 1 69 69 ASN H H 1 7.517 0.030 . 1 . . . . 66 N H . 17143 1 309 . 1 1 69 69 ASN HA H 1 4.210 0.030 . 1 . . . . 66 N HA . 17143 1 310 . 1 1 69 69 ASN C C 13 173.410 0.300 . 1 . . . . 66 N C . 17143 1 311 . 1 1 69 69 ASN CA C 13 52.160 0.300 . 1 . . . . 66 N CA . 17143 1 312 . 1 1 69 69 ASN CB C 13 41.307 0.300 . 1 . . . . 66 N CB . 17143 1 313 . 1 1 69 69 ASN N N 15 113.210 0.300 . 1 . . . . 66 N N . 17143 1 314 . 1 1 70 70 ARG H H 1 8.056 0.030 . 1 . . . . 67 R H . 17143 1 315 . 1 1 70 70 ARG HA H 1 3.100 0.030 . 1 . . . . 67 R HA . 17143 1 316 . 1 1 70 70 ARG C C 13 176.900 0.300 . 1 . . . . 67 R C . 17143 1 317 . 1 1 70 70 ARG CA C 13 59.300 0.300 . 1 . . . . 67 R CA . 17143 1 318 . 1 1 70 70 ARG CB C 13 30.046 0.300 . 1 . . . . 67 R CB . 17143 1 319 . 1 1 70 70 ARG N N 15 120.880 0.300 . 1 . . . . 67 R N . 17143 1 320 . 1 1 71 71 LYS H H 1 7.906 0.030 . 1 . . . . 68 K H . 17143 1 321 . 1 1 71 71 LYS HA H 1 3.660 0.030 . 1 . . . . 68 K HA . 17143 1 322 . 1 1 71 71 LYS C C 13 178.790 0.300 . 1 . . . . 68 K C . 17143 1 323 . 1 1 71 71 LYS CA C 13 59.633 0.300 . 1 . . . . 68 K CA . 17143 1 324 . 1 1 71 71 LYS CB C 13 31.818 0.300 . 1 . . . . 68 K CB . 17143 1 325 . 1 1 71 71 LYS N N 15 118.800 0.300 . 1 . . . . 68 K N . 17143 1 326 . 1 1 72 72 ALA H H 1 7.934 0.030 . 1 . . . . 69 A H . 17143 1 327 . 1 1 72 72 ALA HA H 1 3.670 0.030 . 1 . . . . 69 A HA . 17143 1 328 . 1 1 72 72 ALA C C 13 179.490 0.300 . 1 . . . . 69 A C . 17143 1 329 . 1 1 72 72 ALA CA C 13 54.490 0.300 . 1 . . . . 69 A CA . 17143 1 330 . 1 1 72 72 ALA CB C 13 18.723 0.300 . 1 . . . . 69 A CB . 17143 1 331 . 1 1 72 72 ALA N N 15 119.940 0.300 . 1 . . . . 69 A N . 17143 1 332 . 1 1 73 73 ALA H H 1 6.740 0.030 . 1 . . . . 70 A H . 17143 1 333 . 1 1 73 73 ALA HA H 1 3.130 0.030 . 1 . . . . 70 A HA . 17143 1 334 . 1 1 73 73 ALA C C 13 179.120 0.300 . 1 . . . . 70 A C . 17143 1 335 . 1 1 73 73 ALA CA C 13 54.895 0.300 . 1 . . . . 70 A CA . 17143 1 336 . 1 1 73 73 ALA CB C 13 17.724 0.300 . 1 . . . . 70 A CB . 17143 1 337 . 1 1 73 73 ALA N N 15 119.600 0.300 . 1 . . . . 70 A N . 17143 1 338 . 1 1 74 74 GLU H H 1 7.995 0.030 . 1 . . . . 71 E H . 17143 1 339 . 1 1 74 74 GLU HA H 1 3.910 0.030 . 1 . . . . 71 E HA . 17143 1 340 . 1 1 74 74 GLU C C 13 178.950 0.300 . 1 . . . . 71 E C . 17143 1 341 . 1 1 74 74 GLU CA C 13 59.486 0.300 . 1 . . . . 71 E CA . 17143 1 342 . 1 1 74 74 GLU CB C 13 30.319 0.300 . 1 . . . . 71 E CB . 17143 1 343 . 1 1 74 74 GLU N N 15 118.060 0.300 . 1 . . . . 71 E N . 17143 1 344 . 1 1 75 75 GLN H H 1 7.800 0.030 . 1 . . . . 72 Q H . 17143 1 345 . 1 1 75 75 GLN HA H 1 3.910 0.030 . 1 . . . . 72 Q HA . 17143 1 346 . 1 1 75 75 GLN C C 13 177.830 0.300 . 1 . . . . 72 Q C . 17143 1 347 . 1 1 75 75 GLN CA C 13 59.136 0.300 . 1 . . . . 72 Q CA . 17143 1 348 . 1 1 75 75 GLN CB C 13 27.078 0.300 . 1 . . . . 72 Q CB . 17143 1 349 . 1 1 75 75 GLN N N 15 114.750 0.300 . 1 . . . . 72 Q N . 17143 1 350 . 1 1 76 76 SER H H 1 7.167 0.030 . 1 . . . . 73 S H . 17143 1 351 . 1 1 76 76 SER HA H 1 4.210 0.030 . 1 . . . . 73 S HA . 17143 1 352 . 1 1 76 76 SER C C 13 176.230 0.300 . 1 . . . . 73 S C . 17143 1 353 . 1 1 76 76 SER CA C 13 60.151 0.300 . 1 . . . . 73 S CA . 17143 1 354 . 1 1 76 76 SER CB C 13 64.234 0.300 . 1 . . . . 73 S CB . 17143 1 355 . 1 1 76 76 SER N N 15 111.760 0.300 . 1 . . . . 73 S N . 17143 1 356 . 1 1 77 77 ALA H H 1 8.041 0.030 . 1 . . . . 74 A H . 17143 1 357 . 1 1 77 77 ALA C C 13 178.310 0.300 . 1 . . . . 74 A C . 17143 1 358 . 1 1 77 77 ALA CA C 13 60.147 0.300 . 1 . . . . 74 A CA . 17143 1 359 . 1 1 77 77 ALA CB C 13 17.546 0.300 . 1 . . . . 74 A CB . 17143 1 360 . 1 1 77 77 ALA N N 15 121.780 0.300 . 1 . . . . 74 A N . 17143 1 361 . 1 1 79 79 GLU HA H 1 3.160 0.030 . 1 . . . . 76 E HA . 17143 1 362 . 1 1 79 79 GLU C C 13 179.100 0.300 . 1 . . . . 76 E C . 17143 1 363 . 1 1 79 79 GLU CA C 13 60.001 0.300 . 1 . . . . 76 E CA . 17143 1 364 . 1 1 79 79 GLU CB C 13 28.808 0.300 . 1 . . . . 76 E CB . 17143 1 365 . 1 1 80 80 VAL H H 1 8.219 0.030 . 1 . . . . 77 V H . 17143 1 366 . 1 1 80 80 VAL HA H 1 3.230 0.030 . 1 . . . . 77 V HA . 17143 1 367 . 1 1 80 80 VAL C C 13 178.220 0.300 . 1 . . . . 77 V C . 17143 1 368 . 1 1 80 80 VAL CA C 13 67.113 0.300 . 1 . . . . 77 V CA . 17143 1 369 . 1 1 80 80 VAL CB C 13 31.537 0.300 . 1 . . . . 77 V CB . 17143 1 370 . 1 1 80 80 VAL N N 15 120.900 0.300 . 1 . . . . 77 V N . 17143 1 371 . 1 1 81 81 ALA H H 1 7.939 0.030 . 1 . . . . 78 A H . 17143 1 372 . 1 1 81 81 ALA HA H 1 2.750 0.030 . 1 . . . . 78 A HA . 17143 1 373 . 1 1 81 81 ALA C C 13 178.970 0.300 . 1 . . . . 78 A C . 17143 1 374 . 1 1 81 81 ALA CA C 13 55.178 0.300 . 1 . . . . 78 A CA . 17143 1 375 . 1 1 81 81 ALA CB C 13 18.280 0.300 . 1 . . . . 78 A CB . 17143 1 376 . 1 1 81 81 ALA N N 15 121.780 0.300 . 1 . . . . 78 A N . 17143 1 377 . 1 1 82 82 LEU H H 1 8.209 0.030 . 1 . . . . 79 L H . 17143 1 378 . 1 1 82 82 LEU HA H 1 3.410 0.030 . 1 . . . . 79 L HA . 17143 1 379 . 1 1 82 82 LEU C C 13 179.810 0.300 . 1 . . . . 79 L C . 17143 1 380 . 1 1 82 82 LEU CA C 13 58.056 0.300 . 1 . . . . 79 L CA . 17143 1 381 . 1 1 82 82 LEU CB C 13 41.977 0.300 . 1 . . . . 79 L CB . 17143 1 382 . 1 1 82 82 LEU N N 15 115.590 0.300 . 1 . . . . 79 L N . 17143 1 383 . 1 1 83 83 ARG H H 1 7.907 0.030 . 1 . . . . 80 R H . 17143 1 384 . 1 1 83 83 ARG HA H 1 3.890 0.030 . 1 . . . . 80 R HA . 17143 1 385 . 1 1 83 83 ARG C C 13 179.360 0.300 . 1 . . . . 80 R C . 17143 1 386 . 1 1 83 83 ARG CA C 13 59.392 0.300 . 1 . . . . 80 R CA . 17143 1 387 . 1 1 83 83 ARG CB C 13 30.047 0.300 . 1 . . . . 80 R CB . 17143 1 388 . 1 1 83 83 ARG N N 15 120.280 0.300 . 1 . . . . 80 R N . 17143 1 389 . 1 1 84 84 GLU H H 1 8.119 0.030 . 1 . . . . 81 E H . 17143 1 390 . 1 1 84 84 GLU HA H 1 3.980 0.030 . 1 . . . . 81 E HA . 17143 1 391 . 1 1 84 84 GLU C C 13 180.320 0.300 . 1 . . . . 81 E C . 17143 1 392 . 1 1 84 84 GLU CA C 13 58.715 0.300 . 1 . . . . 81 E CA . 17143 1 393 . 1 1 84 84 GLU CB C 13 29.468 0.300 . 1 . . . . 81 E CB . 17143 1 394 . 1 1 84 84 GLU N N 15 119.350 0.300 . 1 . . . . 81 E N . 17143 1 395 . 1 1 85 85 LEU H H 1 8.621 0.030 . 1 . . . . 82 L H . 17143 1 396 . 1 1 85 85 LEU HA H 1 3.890 0.030 . 1 . . . . 82 L HA . 17143 1 397 . 1 1 85 85 LEU C C 13 179.470 0.300 . 1 . . . . 82 L C . 17143 1 398 . 1 1 85 85 LEU CA C 13 57.338 0.300 . 1 . . . . 82 L CA . 17143 1 399 . 1 1 85 85 LEU CB C 13 41.733 0.300 . 1 . . . . 82 L CB . 17143 1 400 . 1 1 85 85 LEU N N 15 121.600 0.300 . 1 . . . . 82 L N . 17143 1 401 . 1 1 86 86 ALA H H 1 7.595 0.030 . 1 . . . . 83 A H . 17143 1 402 . 1 1 86 86 ALA HA H 1 4.120 0.030 . 1 . . . . 83 A HA . 17143 1 403 . 1 1 86 86 ALA C C 13 179.080 0.300 . 1 . . . . 83 A C . 17143 1 404 . 1 1 86 86 ALA CA C 13 53.799 0.300 . 1 . . . . 83 A CA . 17143 1 405 . 1 1 86 86 ALA CB C 13 18.238 0.300 . 1 . . . . 83 A CB . 17143 1 406 . 1 1 86 86 ALA N N 15 120.870 0.300 . 1 . . . . 83 A N . 17143 1 407 . 1 1 87 87 LYS H H 1 7.552 0.030 . 1 . . . . 84 K H . 17143 1 408 . 1 1 87 87 LYS HA H 1 4.100 0.030 . 1 . . . . 84 K HA . 17143 1 409 . 1 1 87 87 LYS C C 13 177.880 0.300 . 1 . . . . 84 K C . 17143 1 410 . 1 1 87 87 LYS CA C 13 58.007 0.300 . 1 . . . . 84 K CA . 17143 1 411 . 1 1 87 87 LYS CB C 13 32.527 0.300 . 1 . . . . 84 K CB . 17143 1 412 . 1 1 87 87 LYS N N 15 117.850 0.300 . 1 . . . . 84 K N . 17143 1 413 . 1 1 88 88 SER H H 1 7.958 0.030 . 1 . . . . 85 S H . 17143 1 414 . 1 1 88 88 SER HA H 1 4.360 0.030 . 1 . . . . 85 S HA . 17143 1 415 . 1 1 88 88 SER C C 13 175.420 0.300 . 1 . . . . 85 S C . 17143 1 416 . 1 1 88 88 SER CA C 13 59.350 0.300 . 1 . . . . 85 S CA . 17143 1 417 . 1 1 88 88 SER CB C 13 63.693 0.300 . 1 . . . . 85 S CB . 17143 1 418 . 1 1 88 88 SER N N 15 114.140 0.300 . 1 . . . . 85 S N . 17143 1 419 . 1 1 89 89 SER H H 1 8.095 0.030 . 1 . . . . 86 S H . 17143 1 420 . 1 1 89 89 SER C C 13 178.900 0.300 . 1 . . . . 86 S C . 17143 1 421 . 1 1 89 89 SER CA C 13 59.274 0.300 . 1 . . . . 86 S CA . 17143 1 422 . 1 1 89 89 SER CB C 13 63.719 0.300 . 1 . . . . 86 S CB . 17143 1 423 . 1 1 89 89 SER N N 15 117.360 0.300 . 1 . . . . 86 S N . 17143 1 424 . 1 1 90 90 GLU HA H 1 4.160 0.030 . 1 . . . . 87 E HA . 17143 1 425 . 1 1 90 90 GLU C C 13 177.180 0.300 . 1 . . . . 87 E C . 17143 1 426 . 1 1 90 90 GLU CA C 13 57.316 0.300 . 1 . . . . 87 E CA . 17143 1 427 . 1 1 90 90 GLU CB C 13 29.793 0.300 . 1 . . . . 87 E CB . 17143 1 428 . 1 1 91 91 LEU H H 1 8.058 0.030 . 1 . . . . 88 L H . 17143 1 429 . 1 1 91 91 LEU HA H 1 4.250 0.030 . 1 . . . . 88 L HA . 17143 1 430 . 1 1 91 91 LEU C C 13 177.910 0.300 . 1 . . . . 88 L C . 17143 1 431 . 1 1 91 91 LEU CA C 13 55.725 0.300 . 1 . . . . 88 L CA . 17143 1 432 . 1 1 91 91 LEU CB C 13 42.155 0.300 . 1 . . . . 88 L CB . 17143 1 433 . 1 1 91 91 LEU N N 15 121.560 0.300 . 1 . . . . 88 L N . 17143 1 434 . 1 1 92 92 SER H H 1 8.122 0.030 . 1 . . . . 89 S H . 17143 1 435 . 1 1 92 92 SER HA H 1 4.320 0.030 . 1 . . . . 89 S HA . 17143 1 436 . 1 1 92 92 SER C C 13 174.800 0.300 . 1 . . . . 89 S C . 17143 1 437 . 1 1 92 92 SER CA C 13 58.910 0.300 . 1 . . . . 89 S CA . 17143 1 438 . 1 1 92 92 SER CB C 13 63.709 0.300 . 1 . . . . 89 S CB . 17143 1 439 . 1 1 92 92 SER N N 15 115.480 0.300 . 1 . . . . 89 S N . 17143 1 440 . 1 1 93 93 GLN H H 1 8.242 0.030 . 1 . . . . 90 Q H . 17143 1 441 . 1 1 93 93 GLN HA H 1 4.260 0.030 . 1 . . . . 90 Q HA . 17143 1 442 . 1 1 93 93 GLN C C 13 175.960 0.300 . 1 . . . . 90 Q C . 17143 1 443 . 1 1 93 93 GLN CA C 13 55.963 0.300 . 1 . . . . 90 Q CA . 17143 1 444 . 1 1 93 93 GLN CB C 13 29.286 0.300 . 1 . . . . 90 Q CB . 17143 1 445 . 1 1 93 93 GLN N N 15 121.210 0.300 . 1 . . . . 90 Q N . 17143 1 446 . 1 1 94 94 CYS H H 1 8.256 0.030 . 1 . . . . 91 C H . 17143 1 447 . 1 1 94 94 CYS HA H 1 4.390 0.030 . 1 . . . . 91 C HA . 17143 1 448 . 1 1 94 94 CYS C C 13 174.720 0.300 . 1 . . . . 91 C C . 17143 1 449 . 1 1 94 94 CYS CA C 13 58.741 0.300 . 1 . . . . 91 C CA . 17143 1 450 . 1 1 94 94 CYS CB C 13 27.983 0.300 . 1 . . . . 91 C CB . 17143 1 451 . 1 1 94 94 CYS N N 15 120.040 0.300 . 1 . . . . 91 C N . 17143 1 452 . 1 1 95 95 VAL H H 1 8.185 0.030 . 1 . . . . 92 V H . 17143 1 453 . 1 1 95 95 VAL HA H 1 4.100 0.030 . 1 . . . . 92 V HA . 17143 1 454 . 1 1 95 95 VAL C C 13 176.110 0.300 . 1 . . . . 92 V C . 17143 1 455 . 1 1 95 95 VAL CA C 13 62.370 0.300 . 1 . . . . 92 V CA . 17143 1 456 . 1 1 95 95 VAL CB C 13 32.747 0.300 . 1 . . . . 92 V CB . 17143 1 457 . 1 1 95 95 VAL N N 15 122.030 0.300 . 1 . . . . 92 V N . 17143 1 458 . 1 1 96 96 SER H H 1 8.317 0.030 . 1 . . . . 93 S H . 17143 1 459 . 1 1 96 96 SER HA H 1 4.340 0.030 . 1 . . . . 93 S HA . 17143 1 460 . 1 1 96 96 SER C C 13 174.020 0.300 . 1 . . . . 93 S C . 17143 1 461 . 1 1 96 96 SER CA C 13 58.260 0.300 . 1 . . . . 93 S CA . 17143 1 462 . 1 1 96 96 SER CB C 13 63.856 0.300 . 1 . . . . 93 S CB . 17143 1 463 . 1 1 96 96 SER N N 15 119.350 0.300 . 1 . . . . 93 S N . 17143 1 464 . 1 1 97 97 GLN H H 1 8.297 0.030 . 1 . . . . 94 Q H . 17143 1 465 . 1 1 97 97 GLN C C 13 173.820 0.300 . 1 . . . . 94 Q C . 17143 1 466 . 1 1 97 97 GLN CA C 13 53.664 0.300 . 1 . . . . 94 Q CA . 17143 1 467 . 1 1 97 97 GLN CB C 13 29.116 0.300 . 1 . . . . 94 Q CB . 17143 1 468 . 1 1 97 97 GLN N N 15 123.040 0.300 . 1 . . . . 94 Q N . 17143 1 469 . 1 1 98 98 PRO HA H 1 3.870 0.030 . 1 . . . . 95 P HA . 17143 1 470 . 1 1 98 98 PRO C C 13 176.790 0.300 . 1 . . . . 95 P C . 17143 1 471 . 1 1 98 98 PRO CA C 13 63.138 0.300 . 1 . . . . 95 P CA . 17143 1 472 . 1 1 98 98 PRO CB C 13 32.007 0.300 . 1 . . . . 95 P CB . 17143 1 473 . 1 1 99 99 VAL H H 1 8.202 0.030 . 1 . . . . 96 V H . 17143 1 474 . 1 1 99 99 VAL HA H 1 3.940 0.030 . 1 . . . . 96 V HA . 17143 1 475 . 1 1 99 99 VAL C C 13 175.990 0.300 . 1 . . . . 96 V C . 17143 1 476 . 1 1 99 99 VAL CA C 13 62.415 0.300 . 1 . . . . 96 V CA . 17143 1 477 . 1 1 99 99 VAL CB C 13 32.640 0.300 . 1 . . . . 96 V CB . 17143 1 478 . 1 1 99 99 VAL N N 15 120.270 0.300 . 1 . . . . 96 V N . 17143 1 479 . 1 1 100 100 HIS H H 1 8.352 0.030 . 1 . . . . 97 H H . 17143 1 480 . 1 1 100 100 HIS HA H 1 4.590 0.030 . 1 . . . . 97 H HA . 17143 1 481 . 1 1 100 100 HIS C C 13 175.090 0.300 . 1 . . . . 97 H C . 17143 1 482 . 1 1 100 100 HIS CA C 13 55.761 0.300 . 1 . . . . 97 H CA . 17143 1 483 . 1 1 100 100 HIS CB C 13 30.585 0.300 . 1 . . . . 97 H CB . 17143 1 484 . 1 1 100 100 HIS N N 15 122.910 0.300 . 1 . . . . 97 H N . 17143 1 485 . 1 1 101 101 GLU H H 1 8.446 0.030 . 1 . . . . 98 E H . 17143 1 486 . 1 1 101 101 GLU HA H 1 4.270 0.030 . 1 . . . . 98 E HA . 17143 1 487 . 1 1 101 101 GLU C C 13 176.570 0.300 . 1 . . . . 98 E C . 17143 1 488 . 1 1 101 101 GLU CA C 13 56.706 0.300 . 1 . . . . 98 E CA . 17143 1 489 . 1 1 101 101 GLU CB C 13 30.386 0.300 . 1 . . . . 98 E CB . 17143 1 490 . 1 1 101 101 GLU N N 15 122.980 0.300 . 1 . . . . 98 E N . 17143 1 491 . 1 1 102 102 THR H H 1 8.194 0.030 . 1 . . . . 99 T H . 17143 1 492 . 1 1 102 102 THR HA H 1 4.230 0.030 . 1 . . . . 99 T HA . 17143 1 493 . 1 1 102 102 THR C C 13 174.360 0.300 . 1 . . . . 99 T C . 17143 1 494 . 1 1 102 102 THR CA C 13 61.843 0.300 . 1 . . . . 99 T CA . 17143 1 495 . 1 1 102 102 THR CB C 13 70.065 0.300 . 1 . . . . 99 T CB . 17143 1 496 . 1 1 102 102 THR N N 15 114.420 0.300 . 1 . . . . 99 T N . 17143 1 497 . 1 1 103 103 GLY H H 1 8.031 0.030 . 1 . . . . 100 G H . 17143 1 498 . 1 1 103 103 GLY C C 13 179.050 0.300 . 1 . . . . 100 G C . 17143 1 499 . 1 1 103 103 GLY CA C 13 46.279 0.300 . 1 . . . . 100 G CA . 17143 1 500 . 1 1 103 103 GLY N N 15 117.310 0.300 . 1 . . . . 100 G N . 17143 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 17143 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 9 '3D HNCO JNH' . . . 17143 1 10 '3D HNCOCA JCAHA' . . . 17143 1 11 '3D HNCO JCACO' . . . 17143 1 12 '3D HNCO JCH' . . . 17143 1 13 '3D HNCO JNH' . . . 17143 1 14 '3D HNCOCA JCAHA' . . . 17143 1 15 '3D HNCO JCACO' . . . 17143 1 16 '3D HNCO JCH' . . . 17143 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $NMRPipe . . 17143 1 2 $NMRView . . 17143 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DCAHA . 1 1 20 20 LYS CA C 13 . . 1 1 20 20 LYS HA H 1 . -65.92 . . . . . . 1 17 LYS CA 1 17 LYS HA 17143 1 2 DCAHA . 1 1 21 21 SER CA C 13 . . 1 1 21 21 SER HA H 1 . 47.75 . . . . . . 1 18 SER CA 1 18 SER HA 17143 1 3 DCAHA . 1 1 22 22 ARG CA C 13 . . 1 1 22 22 ARG HA H 1 . 1.88 . . . . . . 1 19 ARG CA 1 19 ARG HA 17143 1 4 DCAHA . 1 1 22 22 ARG CA C 13 . . 1 1 22 22 ARG HA H 1 . 49.33 . . . . . . 1 19 ARG CA 1 19 ARG HA 17143 1 5 DCAHA . 1 1 23 23 LEU CA C 13 . . 1 1 23 23 LEU HA H 1 . -71.97 . . . . . . 1 20 LEU CA 1 20 LEU HA 17143 1 6 DCAHA . 1 1 26 26 TYR CA C 13 . . 1 1 26 26 TYR HA H 1 . 20.27 . . . . . . 1 23 TYR CA 1 23 TYR HA 17143 1 7 DCAHA . 1 1 27 27 ALA CA C 13 . . 1 1 27 27 ALA HA H 1 . -89.61 . . . . . . 1 24 ALA CA 1 24 ALA HA 17143 1 8 DCAHA . 1 1 28 28 GLN CA C 13 . . 1 1 28 28 GLN HA H 1 . -3.89 . . . . . . 1 25 GLN CA 1 25 GLN HA 17143 1 9 DCAHA . 1 1 32 32 LEU CA C 13 . . 1 1 32 32 LEU HA H 1 . 18.35 . . . . . . 1 29 LEU CA 1 29 LEU HA 17143 1 10 DCAHA . 1 1 33 33 PRO CA C 13 . . 1 1 33 33 PRO HA H 1 . 20.97 . . . . . . 1 30 PRO CA 1 30 PRO HA 17143 1 11 DCAHA . 1 1 34 34 THR CA C 13 . . 1 1 34 34 THR HA H 1 . 9.93 . . . . . . 1 31 THR CA 1 31 THR HA 17143 1 12 DCAHA . 1 1 35 35 PRO CA C 13 . . 1 1 35 35 PRO HA H 1 . 21.89 . . . . . . 1 32 PRO CA 1 32 PRO HA 17143 1 13 DCAHA . 1 1 36 36 VAL CA C 13 . . 1 1 36 36 VAL HA H 1 . 13.16 . . . . . . 1 33 VAL CA 1 33 VAL HA 17143 1 14 DCAHA . 1 1 37 37 TYR CA C 13 . . 1 1 37 37 TYR HA H 1 . 27.87 . . . . . . 1 34 TYR CA 1 34 TYR HA 17143 1 15 DCAHA . 1 1 38 38 GLU CA C 13 . . 1 1 38 38 GLU HA H 1 . 33.25 . . . . . . 1 35 GLU CA 1 35 GLU HA 17143 1 16 DCAHA . 1 1 39 39 ILE CA C 13 . . 1 1 39 39 ILE HA H 1 . 21.68 . . . . . . 1 36 ILE CA 1 36 ILE HA 17143 1 17 DCAHA . 1 1 43 43 GLY CA C 13 . . 1 1 43 43 GLY HA H 1 . 20.17 . . . . . . 1 40 GLY CA 1 40 GLY HA 17143 1 18 DCAHA . 1 1 44 44 PRO CA C 13 . . 1 1 44 44 PRO HA H 1 . 27.29 . . . . . . 1 41 PRO CA 1 41 PRO HA 17143 1 19 DCAHA . 1 1 47 47 LYS CA C 13 . . 1 1 47 47 LYS HA H 1 . 39.43 . . . . . . 1 44 LYS CA 1 44 LYS HA 17143 1 20 DCAHA . 1 1 49 49 LEU CA C 13 . . 1 1 49 49 LEU HA H 1 . 9.47 . . . . . . 1 46 LEU CA 1 46 LEU HA 17143 1 21 DCAHA . 1 1 51 51 GLN CA C 13 . . 1 1 51 51 GLN HA H 1 . 19.68 . . . . . . 1 48 GLN CA 1 48 GLN HA 17143 1 22 DCAHA . 1 1 53 53 THR CA C 13 . . 1 1 53 53 THR HA H 1 . 46.63 . . . . . . 1 50 THR CA 1 50 THR HA 17143 1 23 DCAHA . 1 1 54 54 VAL CA C 13 . . 1 1 54 54 VAL HA H 1 . 47.14 . . . . . . 1 51 VAL CA 1 51 VAL HA 17143 1 24 DCAHA . 1 1 56 56 LEU CA C 13 . . 1 1 56 56 LEU HA H 1 . 44.19 . . . . . . 1 53 LEU CA 1 53 LEU HA 17143 1 25 DCAHA . 1 1 57 57 ASP CA C 13 . . 1 1 57 57 ASP HA H 1 . 33.73 . . . . . . 1 54 ASP CA 1 54 ASP HA 17143 1 26 DCAHA . 1 1 58 58 GLY CA C 13 . . 1 1 58 58 GLY HA H 1 . 32.14 . . . . . . 1 55 GLY CA 1 55 GLY HA 17143 1 27 DCAHA . 1 1 59 59 VAL CA C 13 . . 1 1 59 59 VAL HA H 1 . 18.77 . . . . . . 1 56 VAL CA 1 56 VAL HA 17143 1 28 DCAHA . 1 1 64 64 LEU CA C 13 . . 1 1 64 64 LEU HA H 1 . 35.62 . . . . . . 1 61 LEU CA 1 61 LEU HA 17143 1 29 DCAHA . 1 1 65 65 PRO CA C 13 . . 1 1 65 65 PRO HA H 1 . 11.05 . . . . . . 1 62 PRO CA 1 62 PRO HA 17143 1 30 DCAHA . 1 1 73 73 ALA CA C 13 . . 1 1 73 73 ALA HA H 1 . -10.29 . . . . . . 1 70 ALA CA 1 70 ALA HA 17143 1 31 DCAHA . 1 1 77 77 ALA CA C 13 . . 1 1 77 77 ALA HA H 1 . 36.77 . . . . . . 1 74 ALA CA 1 74 ALA HA 17143 1 32 DCAHA . 1 1 80 80 VAL CA C 13 . . 1 1 80 80 VAL HA H 1 . -12.45 . . . . . . 1 77 VAL CA 1 77 VAL HA 17143 1 33 DCAHA . 1 1 82 82 LEU CA C 13 . . 1 1 82 82 LEU HA H 1 . 13.61 . . . . . . 1 79 LEU CA 1 79 LEU HA 17143 1 34 DCAHA . 1 1 83 83 ARG CA C 13 . . 1 1 83 83 ARG HA H 1 . -16.34 . . . . . . 1 80 ARG CA 1 80 ARG HA 17143 1 35 DCAHA . 1 1 84 84 GLU CA C 13 . . 1 1 84 84 GLU HA H 1 . 22.06 . . . . . . 1 81 GLU CA 1 81 GLU HA 17143 1 36 DCAHA . 1 1 85 85 LEU CA C 13 . . 1 1 85 85 LEU HA H 1 . 22.34 . . . . . . 1 82 LEU CA 1 82 LEU HA 17143 1 37 DCCA . 1 1 16 16 CYS C C 13 . . 1 1 16 16 CYS CA C 13 . 3.73 . . . . . . 1 13 CYS C 1 13 CYS CA 17143 1 38 DCCA . 1 1 19 19 PHE C C 13 . . 1 1 19 19 PHE CA C 13 . 2.02 . . . . . . 1 16 PHE C 1 16 PHE CA 17143 1 39 DCCA . 1 1 20 20 LYS C C 13 . . 1 1 20 20 LYS CA C 13 . 5.41 . . . . . . 1 17 LYS C 1 17 LYS CA 17143 1 40 DCCA . 1 1 21 21 SER C C 13 . . 1 1 21 21 SER CA C 13 . -6.49 . . . . . . 1 18 SER C 1 18 SER CA 17143 1 41 DCCA . 1 1 22 22 ARG C C 13 . . 1 1 22 22 ARG CA C 13 . -2.63 . . . . . . 1 19 ARG C 1 19 ARG CA 17143 1 42 DCCA . 1 1 23 23 LEU C C 13 . . 1 1 23 23 LEU CA C 13 . 5.01 . . . . . . 1 20 LEU C 1 20 LEU CA 17143 1 43 DCCA . 1 1 24 24 GLN C C 13 . . 1 1 24 24 GLN CA C 13 . 1.55 . . . . . . 1 21 GLN C 1 21 GLN CA 17143 1 44 DCCA . 1 1 26 26 TYR C C 13 . . 1 1 26 26 TYR CA C 13 . 1.33 . . . . . . 1 23 TYR C 1 23 TYR CA 17143 1 45 DCCA . 1 1 27 27 ALA C C 13 . . 1 1 27 27 ALA CA C 13 . 4.18 . . . . . . 1 24 ALA C 1 24 ALA CA 17143 1 46 DCCA . 1 1 28 28 GLN C C 13 . . 1 1 28 28 GLN CA C 13 . 1.16 . . . . . . 1 25 GLN C 1 25 GLN CA 17143 1 47 DCCA . 1 1 32 32 LEU C C 13 . . 1 1 32 32 LEU CA C 13 . -7.87 . . . . . . 1 29 LEU C 1 29 LEU CA 17143 1 48 DCCA . 1 1 33 33 PRO C C 13 . . 1 1 33 33 PRO CA C 13 . 1.51 . . . . . . 1 30 PRO C 1 30 PRO CA 17143 1 49 DCCA . 1 1 34 34 THR C C 13 . . 1 1 34 34 THR CA C 13 . -3.41 . . . . . . 1 31 THR C 1 31 THR CA 17143 1 50 DCCA . 1 1 35 35 PRO C C 13 . . 1 1 35 35 PRO CA C 13 . -1.30 . . . . . . 1 32 PRO C 1 32 PRO CA 17143 1 51 DCCA . 1 1 36 36 VAL C C 13 . . 1 1 36 36 VAL CA C 13 . -0.17 . . . . . . 1 33 VAL C 1 33 VAL CA 17143 1 52 DCCA . 1 1 37 37 TYR C C 13 . . 1 1 37 37 TYR CA C 13 . -2.85 . . . . . . 1 34 TYR C 1 34 TYR CA 17143 1 53 DCCA . 1 1 38 38 GLU C C 13 . . 1 1 38 38 GLU CA C 13 . -0.01 . . . . . . 1 35 GLU C 1 35 GLU CA 17143 1 54 DCCA . 1 1 39 39 ILE C C 13 . . 1 1 39 39 ILE CA C 13 . -3.04 . . . . . . 1 36 ILE C 1 36 ILE CA 17143 1 55 DCCA . 1 1 43 43 GLY C C 13 . . 1 1 43 43 GLY CA C 13 . -0.14 . . . . . . 1 40 GLY C 1 40 GLY CA 17143 1 56 DCCA . 1 1 44 44 PRO C C 13 . . 1 1 44 44 PRO CA C 13 . -3.80 . . . . . . 1 41 PRO C 1 41 PRO CA 17143 1 57 DCCA . 1 1 45 45 SER C C 13 . . 1 1 45 45 SER CA C 13 . -4.95 . . . . . . 1 42 SER C 1 42 SER CA 17143 1 58 DCCA . 1 1 46 46 HIS C C 13 . . 1 1 46 46 HIS CA C 13 . -1.42 . . . . . . 1 43 HIS C 1 43 HIS CA 17143 1 59 DCCA . 1 1 47 47 LYS C C 13 . . 1 1 47 47 LYS CA C 13 . -6.94 . . . . . . 1 44 LYS C 1 44 LYS CA 17143 1 60 DCCA . 1 1 48 48 SER C C 13 . . 1 1 48 48 SER CA C 13 . 2.19 . . . . . . 1 45 SER C 1 45 SER CA 17143 1 61 DCCA . 1 1 49 49 LEU C C 13 . . 1 1 49 49 LEU CA C 13 . -4.65 . . . . . . 1 46 LEU C 1 46 LEU CA 17143 1 62 DCCA . 1 1 50 50 PHE C C 13 . . 1 1 50 50 PHE CA C 13 . 0.21 . . . . . . 1 47 PHE C 1 47 PHE CA 17143 1 63 DCCA . 1 1 51 51 GLN C C 13 . . 1 1 51 51 GLN CA C 13 . -2.03 . . . . . . 1 48 GLN C 1 48 GLN CA 17143 1 64 DCCA . 1 1 52 52 SER C C 13 . . 1 1 52 52 SER CA C 13 . -4.53 . . . . . . 1 49 SER C 1 49 SER CA 17143 1 65 DCCA . 1 1 53 53 THR C C 13 . . 1 1 53 53 THR CA C 13 . -1.60 . . . . . . 1 50 THR C 1 50 THR CA 17143 1 66 DCCA . 1 1 54 54 VAL C C 13 . . 1 1 54 54 VAL CA C 13 . 2.01 . . . . . . 1 51 VAL C 1 51 VAL CA 17143 1 67 DCCA . 1 1 55 55 ILE C C 13 . . 1 1 55 55 ILE CA C 13 . 3.52 . . . . . . 1 52 ILE C 1 52 ILE CA 17143 1 68 DCCA . 1 1 56 56 LEU C C 13 . . 1 1 56 56 LEU CA C 13 . -5.91 . . . . . . 1 53 LEU C 1 53 LEU CA 17143 1 69 DCCA . 1 1 57 57 ASP C C 13 . . 1 1 57 57 ASP CA C 13 . 5.48 . . . . . . 1 54 ASP C 1 54 ASP CA 17143 1 70 DCCA . 1 1 58 58 GLY C C 13 . . 1 1 58 58 GLY CA C 13 . -8.14 . . . . . . 1 55 GLY C 1 55 GLY CA 17143 1 71 DCCA . 1 1 59 59 VAL C C 13 . . 1 1 59 59 VAL CA C 13 . 5.10 . . . . . . 1 56 VAL C 1 56 VAL CA 17143 1 72 DCCA . 1 1 62 62 ASN C C 13 . . 1 1 62 62 ASN CA C 13 . -0.15 . . . . . . 1 59 ASN C 1 59 ASN CA 17143 1 73 DCCA . 1 1 63 63 SER C C 13 . . 1 1 63 63 SER CA C 13 . 4.92 . . . . . . 1 60 SER C 1 60 SER CA 17143 1 74 DCCA . 1 1 64 64 LEU C C 13 . . 1 1 64 64 LEU CA C 13 . -5.26 . . . . . . 1 61 LEU C 1 61 LEU CA 17143 1 75 DCCA . 1 1 65 65 PRO C C 13 . . 1 1 65 65 PRO CA C 13 . 4.56 . . . . . . 1 62 PRO C 1 62 PRO CA 17143 1 76 DCCA . 1 1 66 66 GLY C C 13 . . 1 1 66 66 GLY CA C 13 . -4.54 . . . . . . 1 63 GLY C 1 63 GLY CA 17143 1 77 DCCA . 1 1 67 67 PHE C C 13 . . 1 1 67 67 PHE CA C 13 . -6.26 . . . . . . 1 64 PHE C 1 64 PHE CA 17143 1 78 DCCA . 1 1 68 68 PHE C C 13 . . 1 1 68 68 PHE CA C 13 . 2.58 . . . . . . 1 65 PHE C 1 65 PHE CA 17143 1 79 DCCA . 1 1 69 69 ASN C C 13 . . 1 1 69 69 ASN CA C 13 . 5.39 . . . . . . 1 66 ASN C 1 66 ASN CA 17143 1 80 DCCA . 1 1 70 70 ARG C C 13 . . 1 1 70 70 ARG CA C 13 . -3.88 . . . . . . 1 67 ARG C 1 67 ARG CA 17143 1 81 DCCA . 1 1 71 71 LYS C C 13 . . 1 1 71 71 LYS CA C 13 . -3.06 . . . . . . 1 68 LYS C 1 68 LYS CA 17143 1 82 DCCA . 1 1 72 72 ALA C C 13 . . 1 1 72 72 ALA CA C 13 . 4.17 . . . . . . 1 69 ALA C 1 69 ALA CA 17143 1 83 DCCA . 1 1 73 73 ALA C C 13 . . 1 1 73 73 ALA CA C 13 . -0.91 . . . . . . 1 70 ALA C 1 70 ALA CA 17143 1 84 DCCA . 1 1 76 76 SER C C 13 . . 1 1 76 76 SER CA C 13 . 3.02 . . . . . . 1 73 SER C 1 73 SER CA 17143 1 85 DCCA . 1 1 77 77 ALA C C 13 . . 1 1 77 77 ALA CA C 13 . -1.40 . . . . . . 1 74 ALA C 1 74 ALA CA 17143 1 86 DCCA . 1 1 78 78 ALA C C 13 . . 1 1 78 78 ALA CA C 13 . -3.80 . . . . . . 1 75 ALA C 1 75 ALA CA 17143 1 87 DCCA . 1 1 79 79 GLU C C 13 . . 1 1 79 79 GLU CA C 13 . 4.77 . . . . . . 1 76 GLU C 1 76 GLU CA 17143 1 88 DCCA . 1 1 80 80 VAL C C 13 . . 1 1 80 80 VAL CA C 13 . -0.01 . . . . . . 1 77 VAL C 1 77 VAL CA 17143 1 89 DCCA . 1 1 81 81 ALA C C 13 . . 1 1 81 81 ALA CA C 13 . -2.91 . . . . . . 1 78 ALA C 1 78 ALA CA 17143 1 90 DCCA . 1 1 82 82 LEU C C 13 . . 1 1 82 82 LEU CA C 13 . -1.84 . . . . . . 1 79 LEU C 1 79 LEU CA 17143 1 91 DCCA . 1 1 83 83 ARG C C 13 . . 1 1 83 83 ARG CA C 13 . -0.54 . . . . . . 1 80 ARG C 1 80 ARG CA 17143 1 92 DCCA . 1 1 84 84 GLU C C 13 . . 1 1 84 84 GLU CA C 13 . -2.66 . . . . . . 1 81 GLU C 1 81 GLU CA 17143 1 93 DCH(i+1) . 1 1 16 16 CYS C C 13 . . 1 1 17 17 TYR H H 1 . -13.26 . . . . . . 1 13 CYS C 1 14 TYR H 17143 1 94 DCH(i+1) . 1 1 19 19 PHE C C 13 . . 1 1 20 20 LYS H H 1 . -10.96 . . . . . . 1 16 PHE C 1 17 LYS H 17143 1 95 DCH(i+1) . 1 1 20 20 LYS C C 13 . . 1 1 21 21 SER H H 1 . -5.81 . . . . . . 1 17 LYS C 1 18 SER H 17143 1 96 DCH(i+1) . 1 1 21 21 SER C C 13 . . 1 1 22 22 ARG H H 1 . 8.20 . . . . . . 1 18 SER C 1 19 ARG H 17143 1 97 DCH(i+1) . 1 1 22 22 ARG C C 13 . . 1 1 23 23 LEU H H 1 . 4.24 . . . . . . 1 19 ARG C 1 20 LEU H 17143 1 98 DCH(i+1) . 1 1 23 23 LEU C C 13 . . 1 1 24 24 GLN H H 1 . -12.95 . . . . . . 1 20 LEU C 1 21 GLN H 17143 1 99 DCH(i+1) . 1 1 24 24 GLN C C 13 . . 1 1 25 25 GLU H H 1 . 3.64 . . . . . . 1 21 GLN C 1 22 GLU H 17143 1 100 DCH(i+1) . 1 1 26 26 TYR C C 13 . . 1 1 27 27 ALA H H 1 . -5.83 . . . . . . 1 23 TYR C 1 24 ALA H 17143 1 101 DCH(i+1) . 1 1 27 27 ALA C C 13 . . 1 1 28 28 GLN H H 1 . 3.27 . . . . . . 1 24 ALA C 1 25 GLN H 17143 1 102 DCH(i+1) . 1 1 28 28 GLN C C 13 . . 1 1 29 29 LYS H H 1 . 1.47 . . . . . . 1 25 GLN C 1 26 LYS H 17143 1 103 DCH(i+1) . 1 1 32 32 LEU C C 13 . . 1 1 33 33 PRO H H 1 . 5.51 . . . . . . 1 29 LEU C 1 30 PRO H 17143 1 104 DCH(i+1) . 1 1 33 33 PRO C C 13 . . 1 1 34 34 THR H H 1 . -5.48 . . . . . . 1 30 PRO C 1 31 THR H 17143 1 105 DCH(i+1) . 1 1 34 34 THR C C 13 . . 1 1 35 35 PRO H H 1 . 8.64 . . . . . . 1 31 THR C 1 32 PRO H 17143 1 106 DCH(i+1) . 1 1 35 35 PRO C C 13 . . 1 1 36 36 VAL H H 1 . -6.55 . . . . . . 1 32 PRO C 1 33 VAL H 17143 1 107 DCH(i+1) . 1 1 36 36 VAL C C 13 . . 1 1 37 37 TYR H H 1 . 8.48 . . . . . . 1 33 VAL C 1 34 TYR H 17143 1 108 DCH(i+1) . 1 1 37 37 TYR C C 13 . . 1 1 38 38 GLU H H 1 . -2.68 . . . . . . 1 34 TYR C 1 35 GLU H 17143 1 109 DCH(i+1) . 1 1 38 38 GLU C C 13 . . 1 1 39 39 ILE H H 1 . 7.68 . . . . . . 1 35 GLU C 1 36 ILE H 17143 1 110 DCH(i+1) . 1 1 39 39 ILE C C 13 . . 1 1 40 40 VAL H H 1 . 2.29 . . . . . . 1 36 ILE C 1 37 VAL H 17143 1 111 DCH(i+1) . 1 1 43 43 GLY C C 13 . . 1 1 44 44 PRO H H 1 . 3.33 . . . . . . 1 40 GLY C 1 41 PRO H 17143 1 112 DCH(i+1) . 1 1 44 44 PRO C C 13 . . 1 1 45 45 SER H H 1 . 6.76 . . . . . . 1 41 PRO C 1 42 SER H 17143 1 113 DCH(i+1) . 1 1 45 45 SER C C 13 . . 1 1 46 46 HIS H H 1 . 4.64 . . . . . . 1 42 SER C 1 43 HIS H 17143 1 114 DCH(i+1) . 1 1 46 46 HIS C C 13 . . 1 1 47 47 LYS H H 1 . 0.61 . . . . . . 1 43 HIS C 1 44 LYS H 17143 1 115 DCH(i+1) . 1 1 47 47 LYS C C 13 . . 1 1 48 48 SER H H 1 . 9.03 . . . . . . 1 44 LYS C 1 45 SER H 17143 1 116 DCH(i+1) . 1 1 48 48 SER C C 13 . . 1 1 49 49 LEU H H 1 . -7.96 . . . . . . 1 45 SER C 1 46 LEU H 17143 1 117 DCH(i+1) . 1 1 49 49 LEU C C 13 . . 1 1 50 50 PHE H H 1 . 9.24 . . . . . . 1 46 LEU C 1 47 PHE H 17143 1 118 DCH(i+1) . 1 1 50 50 PHE C C 13 . . 1 1 51 51 GLN H H 1 . -6.74 . . . . . . 1 47 PHE C 1 48 GLN H 17143 1 119 DCH(i+1) . 1 1 51 51 GLN C C 13 . . 1 1 52 52 SER H H 1 . 7.65 . . . . . . 1 48 GLN C 1 49 SER H 17143 1 120 DCH(i+1) . 1 1 52 52 SER C C 13 . . 1 1 53 53 THR H H 1 . -0.23 . . . . . . 1 49 SER C 1 50 THR H 17143 1 121 DCH(i+1) . 1 1 53 53 THR C C 13 . . 1 1 54 54 VAL H H 1 . 9.67 . . . . . . 1 50 THR C 1 51 VAL H 17143 1 122 DCH(i+1) . 1 1 54 54 VAL C C 13 . . 1 1 55 55 ILE H H 1 . -10.12 . . . . . . 1 51 VAL C 1 52 ILE H 17143 1 123 DCH(i+1) . 1 1 55 55 ILE C C 13 . . 1 1 56 56 LEU H H 1 . 5.96 . . . . . . 1 52 ILE C 1 53 LEU H 17143 1 124 DCH(i+1) . 1 1 56 56 LEU C C 13 . . 1 1 57 57 ASP H H 1 . 5.46 . . . . . . 1 53 LEU C 1 54 ASP H 17143 1 125 DCH(i+1) . 1 1 57 57 ASP C C 13 . . 1 1 58 58 GLY H H 1 . 4.23 . . . . . . 1 54 ASP C 1 55 GLY H 17143 1 126 DCH(i+1) . 1 1 58 58 GLY C C 13 . . 1 1 59 59 VAL H H 1 . 7.25 . . . . . . 1 55 GLY C 1 56 VAL H 17143 1 127 DCH(i+1) . 1 1 59 59 VAL C C 13 . . 1 1 60 60 ARG H H 1 . -5.01 . . . . . . 1 56 VAL C 1 57 ARG H 17143 1 128 DCH(i+1) . 1 1 63 63 SER C C 13 . . 1 1 64 64 LEU H H 1 . 4.74 . . . . . . 1 60 SER C 1 61 LEU H 17143 1 129 DCH(i+1) . 1 1 64 64 LEU C C 13 . . 1 1 65 65 PRO H H 1 . 5.70 . . . . . . 1 61 LEU C 1 62 PRO H 17143 1 130 DCH(i+1) . 1 1 65 65 PRO C C 13 . . 1 1 66 66 GLY H H 1 . -15.70 . . . . . . 1 62 PRO C 1 63 GLY H 17143 1 131 DCH(i+1) . 1 1 66 66 GLY C C 13 . . 1 1 67 67 PHE H H 1 . 6.30 . . . . . . 1 63 GLY C 1 64 PHE H 17143 1 132 DCH(i+1) . 1 1 67 67 PHE C C 13 . . 1 1 68 68 PHE H H 1 . 2.21 . . . . . . 1 64 PHE C 1 65 PHE H 17143 1 133 DCH(i+1) . 1 1 68 68 PHE C C 13 . . 1 1 69 69 ASN H H 1 . -8.39 . . . . . . 1 65 PHE C 1 66 ASN H 17143 1 134 DCH(i+1) . 1 1 69 69 ASN C C 13 . . 1 1 70 70 ARG H H 1 . -5.44 . . . . . . 1 66 ASN C 1 67 ARG H 17143 1 135 DCH(i+1) . 1 1 70 70 ARG C C 13 . . 1 1 71 71 LYS H H 1 . 4.19 . . . . . . 1 67 ARG C 1 68 LYS H 17143 1 136 DCH(i+1) . 1 1 71 71 LYS C C 13 . . 1 1 72 72 ALA H H 1 . -5.12 . . . . . . 1 68 LYS C 1 69 ALA H 17143 1 137 DCH(i+1) . 1 1 72 72 ALA C C 13 . . 1 1 73 73 ALA H H 1 . -8.36 . . . . . . 1 69 ALA C 1 70 ALA H 17143 1 138 DCH(i+1) . 1 1 73 73 ALA C C 13 . . 1 1 74 74 GLU H H 1 . -0.56 . . . . . . 1 70 ALA C 1 71 GLU H 17143 1 139 DCH(i+1) . 1 1 76 76 SER C C 13 . . 1 1 77 77 ALA H H 1 . -5.79 . . . . . . 1 73 SER C 1 74 ALA H 17143 1 140 DCH(i+1) . 1 1 77 77 ALA C C 13 . . 1 1 78 78 ALA H H 1 . 3.07 . . . . . . 1 74 ALA C 1 75 ALA H 17143 1 141 DCH(i+1) . 1 1 78 78 ALA C C 13 . . 1 1 79 79 GLU H H 1 . 1.12 . . . . . . 1 75 ALA C 1 76 GLU H 17143 1 142 DCH(i+1) . 1 1 79 79 GLU C C 13 . . 1 1 80 80 VAL H H 1 . -10.99 . . . . . . 1 76 GLU C 1 77 VAL H 17143 1 143 DCH(i+1) . 1 1 80 80 VAL C C 13 . . 1 1 81 81 ALA H H 1 . -1.57 . . . . . . 1 77 VAL C 1 78 ALA H 17143 1 144 DCH(i+1) . 1 1 81 81 ALA C C 13 . . 1 1 82 82 LEU H H 1 . 4.71 . . . . . . 1 78 ALA C 1 79 LEU H 17143 1 145 DCH(i+1) . 1 1 83 83 ARG C C 13 . . 1 1 84 84 GLU H H 1 . -3.95 . . . . . . 1 80 ARG C 1 81 GLU H 17143 1 146 DCH(i+1) . 1 1 84 84 GLU C C 13 . . 1 1 85 85 LEU H H 1 . 3.72 . . . . . . 1 81 GLU C 1 82 LEU H 17143 1 147 DCH(i+1) . 1 1 85 85 LEU C C 13 . . 1 1 86 86 ALA H H 1 . 0.42 . . . . . . 1 82 LEU C 1 83 ALA H 17143 1 148 DHCA(i-1) . 1 1 17 17 TYR H H 1 . . 1 1 16 16 CYS CA C 13 . -0.07 . . . . . . 1 14 TYR H 1 13 CYS CA 17143 1 149 DHCA(i-1) . 1 1 20 20 LYS H H 1 . . 1 1 19 19 PHE CA C 13 . 6.36 . . . . . . 1 17 LYS H 1 16 PHE CA 17143 1 150 DHCA(i-1) . 1 1 21 21 SER H H 1 . . 1 1 20 20 LYS CA C 13 . -4.48 . . . . . . 1 18 SER H 1 17 LYS CA 17143 1 151 DHCA(i-1) . 1 1 22 22 ARG H H 1 . . 1 1 21 21 SER CA C 13 . -0.89 . . . . . . 1 19 ARG H 1 18 SER CA 17143 1 152 DHCA(i-1) . 1 1 23 23 LEU H H 1 . . 1 1 22 22 ARG CA C 13 . -2.87 . . . . . . 1 20 LEU H 1 19 ARG CA 17143 1 153 DHCA(i-1) . 1 1 24 24 GLN H H 1 . . 1 1 23 23 LEU CA C 13 . -1.56 . . . . . . 1 21 GLN H 1 20 LEU CA 17143 1 154 DHCA(i-1) . 1 1 25 25 GLU H H 1 . . 1 1 24 24 GLN CA C 13 . -2.59 . . . . . . 1 22 GLU H 1 21 GLN CA 17143 1 155 DHCA(i-1) . 1 1 27 27 ALA H H 1 . . 1 1 26 26 TYR CA C 13 . -4.74 . . . . . . 1 24 ALA H 1 23 TYR CA 17143 1 156 DHCA(i-1) . 1 1 28 28 GLN H H 1 . . 1 1 27 27 ALA CA C 13 . -1.21 . . . . . . 1 25 GLN H 1 24 ALA CA 17143 1 157 DHCA(i-1) . 1 1 29 29 LYS H H 1 . . 1 1 28 28 GLN CA C 13 . 2.98 . . . . . . 1 26 LYS H 1 25 GLN CA 17143 1 158 DHCA(i-1) . 1 1 33 33 PRO H H 1 . . 1 1 32 32 LEU CA C 13 . 0.31 . . . . . . 1 30 PRO H 1 29 LEU CA 17143 1 159 DHCA(i-1) . 1 1 34 34 THR H H 1 . . 1 1 33 33 PRO CA C 13 . 4.72 . . . . . . 1 31 THR H 1 30 PRO CA 17143 1 160 DHCA(i-1) . 1 1 35 35 PRO H H 1 . . 1 1 34 34 THR CA C 13 . -1.32 . . . . . . 1 32 PRO H 1 31 THR CA 17143 1 161 DHCA(i-1) . 1 1 36 36 VAL H H 1 . . 1 1 35 35 PRO CA C 13 . 5.56 . . . . . . 1 33 VAL H 1 32 PRO CA 17143 1 162 DHCA(i-1) . 1 1 37 37 TYR H H 1 . . 1 1 36 36 VAL CA C 13 . -2.03 . . . . . . 1 34 TYR H 1 33 VAL CA 17143 1 163 DHCA(i-1) . 1 1 38 38 GLU H H 1 . . 1 1 37 37 TYR CA C 13 . 4.85 . . . . . . 1 35 GLU H 1 34 TYR CA 17143 1 164 DHCA(i-1) . 1 1 39 39 ILE H H 1 . . 1 1 38 38 GLU CA C 13 . -2.58 . . . . . . 1 36 ILE H 1 35 GLU CA 17143 1 165 DHCA(i-1) . 1 1 40 40 VAL H H 1 . . 1 1 39 39 ILE CA C 13 . 2.56 . . . . . . 1 37 VAL H 1 36 ILE CA 17143 1 166 DHCA(i-1) . 1 1 44 44 PRO H H 1 . . 1 1 43 43 GLY CA C 13 . 0.98 . . . . . . 1 41 PRO H 1 40 GLY CA 17143 1 167 DHCA(i-1) . 1 1 45 45 SER H H 1 . . 1 1 44 44 PRO CA C 13 . 0.72 . . . . . . 1 42 SER H 1 41 PRO CA 17143 1 168 DHCA(i-1) . 1 1 46 46 HIS H H 1 . . 1 1 45 45 SER CA C 13 . 0.77 . . . . . . 1 43 HIS H 1 42 SER CA 17143 1 169 DHCA(i-1) . 1 1 47 47 LYS H H 1 . . 1 1 46 46 HIS CA C 13 . 6.54 . . . . . . 1 44 LYS H 1 43 HIS CA 17143 1 170 DHCA(i-1) . 1 1 48 48 SER H H 1 . . 1 1 47 47 LYS CA C 13 . -3.14 . . . . . . 1 45 SER H 1 44 LYS CA 17143 1 171 DHCA(i-1) . 1 1 49 49 LEU H H 1 . . 1 1 48 48 SER CA C 13 . 7.47 . . . . . . 1 46 LEU H 1 45 SER CA 17143 1 172 DHCA(i-1) . 1 1 50 50 PHE H H 1 . . 1 1 49 49 LEU CA C 13 . -2.18 . . . . . . 1 47 PHE H 1 46 LEU CA 17143 1 173 DHCA(i-1) . 1 1 51 51 GLN H H 1 . . 1 1 50 50 PHE CA C 13 . 7.35 . . . . . . 1 48 GLN H 1 47 PHE CA 17143 1 174 DHCA(i-1) . 1 1 52 52 SER H H 1 . . 1 1 51 51 GLN CA C 13 . -2.78 . . . . . . 1 49 SER H 1 48 GLN CA 17143 1 175 DHCA(i-1) . 1 1 53 53 THR H H 1 . . 1 1 52 52 SER CA C 13 . 7.66 . . . . . . 1 50 THR H 1 49 SER CA 17143 1 176 DHCA(i-1) . 1 1 54 54 VAL H H 1 . . 1 1 53 53 THR CA C 13 . -2.04 . . . . . . 1 51 VAL H 1 50 THR CA 17143 1 177 DHCA(i-1) . 1 1 55 55 ILE H H 1 . . 1 1 54 54 VAL CA C 13 . 6.20 . . . . . . 1 52 ILE H 1 51 VAL CA 17143 1 178 DHCA(i-1) . 1 1 56 56 LEU H H 1 . . 1 1 55 55 ILE CA C 13 . -2.42 . . . . . . 1 53 LEU H 1 52 ILE CA 17143 1 179 DHCA(i-1) . 1 1 57 57 ASP H H 1 . . 1 1 56 56 LEU CA C 13 . 2.56 . . . . . . 1 54 ASP H 1 53 LEU CA 17143 1 180 DHCA(i-1) . 1 1 58 58 GLY H H 1 . . 1 1 57 57 ASP CA C 13 . -0.11 . . . . . . 1 55 GLY H 1 54 ASP CA 17143 1 181 DHCA(i-1) . 1 1 59 59 VAL H H 1 . . 1 1 58 58 GLY CA C 13 . -1.29 . . . . . . 1 56 VAL H 1 55 GLY CA 17143 1 182 DHCA(i-1) . 1 1 60 60 ARG H H 1 . . 1 1 59 59 VAL CA C 13 . 1.64 . . . . . . 1 57 ARG H 1 56 VAL CA 17143 1 183 DHCA(i-1) . 1 1 63 63 SER H H 1 . . 1 1 62 62 ASN CA C 13 . 9.91 . . . . . . 1 60 SER H 1 59 ASN CA 17143 1 184 DHCA(i-1) . 1 1 64 64 LEU H H 1 . . 1 1 63 63 SER CA C 13 . -5.72 . . . . . . 1 61 LEU H 1 60 SER CA 17143 1 185 DHCA(i-1) . 1 1 65 65 PRO H H 1 . . 1 1 64 64 LEU CA C 13 . -0.29 . . . . . . 1 62 PRO H 1 61 LEU CA 17143 1 186 DHCA(i-1) . 1 1 66 66 GLY H H 1 . . 1 1 65 65 PRO CA C 13 . 2.98 . . . . . . 1 63 GLY H 1 62 PRO CA 17143 1 187 DHCA(i-1) . 1 1 67 67 PHE H H 1 . . 1 1 66 66 GLY CA C 13 . -3.32 . . . . . . 1 64 PHE H 1 63 GLY CA 17143 1 188 DHCA(i-1) . 1 1 68 68 PHE H H 1 . . 1 1 67 67 PHE CA C 13 . -2.48 . . . . . . 1 65 PHE H 1 64 PHE CA 17143 1 189 DHCA(i-1) . 1 1 69 69 ASN H H 1 . . 1 1 68 68 PHE CA C 13 . -4.49 . . . . . . 1 66 ASN H 1 65 PHE CA 17143 1 190 DHCA(i-1) . 1 1 70 70 ARG H H 1 . . 1 1 69 69 ASN CA C 13 . 0.92 . . . . . . 1 67 ARG H 1 66 ASN CA 17143 1 191 DHCA(i-1) . 1 1 71 71 LYS H H 1 . . 1 1 70 70 ARG CA C 13 . -3.07 . . . . . . 1 68 LYS H 1 67 ARG CA 17143 1 192 DHCA(i-1) . 1 1 72 72 ALA H H 1 . . 1 1 71 71 LYS CA C 13 . -7.45 . . . . . . 1 69 ALA H 1 68 LYS CA 17143 1 193 DHCA(i-1) . 1 1 73 73 ALA H H 1 . . 1 1 72 72 ALA CA C 13 . -0.65 . . . . . . 1 70 ALA H 1 69 ALA CA 17143 1 194 DHCA(i-1) . 1 1 74 74 GLU H H 1 . . 1 1 73 73 ALA CA C 13 . -1.28 . . . . . . 1 71 GLU H 1 70 ALA CA 17143 1 195 DHCA(i-1) . 1 1 77 77 ALA H H 1 . . 1 1 76 76 SER CA C 13 . -0.45 . . . . . . 1 74 ALA H 1 73 SER CA 17143 1 196 DHCA(i-1) . 1 1 78 78 ALA H H 1 . . 1 1 77 77 ALA CA C 13 . -5.58 . . . . . . 1 75 ALA H 1 74 ALA CA 17143 1 197 DHCA(i-1) . 1 1 79 79 GLU H H 1 . . 1 1 78 78 ALA CA C 13 . -1.67 . . . . . . 1 76 GLU H 1 75 ALA CA 17143 1 198 DHCA(i-1) . 1 1 80 80 VAL H H 1 . . 1 1 79 79 GLU CA C 13 . -1.31 . . . . . . 1 77 VAL H 1 76 GLU CA 17143 1 199 DHCA(i-1) . 1 1 81 81 ALA H H 1 . . 1 1 80 80 VAL CA C 13 . -1.67 . . . . . . 1 78 ALA H 1 77 VAL CA 17143 1 200 DHCA(i-1) . 1 1 82 82 LEU H H 1 . . 1 1 81 81 ALA CA C 13 . -5.30 . . . . . . 1 79 LEU H 1 78 ALA CA 17143 1 201 DHCA(i-1) . 1 1 83 83 ARG H H 1 . . 1 1 82 82 LEU CA C 13 . -3.49 . . . . . . 1 80 ARG H 1 79 LEU CA 17143 1 202 DHCA(i-1) . 1 1 84 84 GLU H H 1 . . 1 1 83 83 ARG CA C 13 . -1.12 . . . . . . 1 81 GLU H 1 80 ARG CA 17143 1 203 DHCA(i-1) . 1 1 85 85 LEU H H 1 . . 1 1 84 84 GLU CA C 13 . -3.11 . . . . . . 1 82 LEU H 1 81 GLU CA 17143 1 204 DHHA(i-1) . 1 1 21 21 SER H H 1 . . 1 1 20 20 LYS HA H 1 . -9.33 . . . . . . 1 18 SER H 1 17 LYS HA 17143 1 205 DHHA(i-1) . 1 1 22 22 ARG H H 1 . . 1 1 21 21 SER HA H 1 . -12.18 . . . . . . 1 19 ARG H 1 18 SER HA 17143 1 206 DHHA(i-1) . 1 1 23 23 LEU H H 1 . . 1 1 22 22 ARG HA H 1 . 46.36 . . . . . . 1 20 LEU H 1 19 ARG HA 17143 1 207 DHHA(i-1) . 1 1 23 23 LEU H H 1 . . 1 1 22 22 ARG HA H 1 . 7.83 . . . . . . 1 20 LEU H 1 19 ARG HA 17143 1 208 DHHA(i-1) . 1 1 24 24 GLN H H 1 . . 1 1 23 23 LEU HA H 1 . 2.53 . . . . . . 1 21 GLN H 1 20 LEU HA 17143 1 209 DHHA(i-1) . 1 1 27 27 ALA H H 1 . . 1 1 26 26 TYR HA H 1 . -1.87 . . . . . . 1 24 ALA H 1 23 TYR HA 17143 1 210 DHHA(i-1) . 1 1 28 28 GLN H H 1 . . 1 1 27 27 ALA HA H 1 . -2.67 . . . . . . 1 25 GLN H 1 24 ALA HA 17143 1 211 DHHA(i-1) . 1 1 29 29 LYS H H 1 . . 1 1 28 28 GLN HA H 1 . 0.25 . . . . . . 1 26 LYS H 1 25 GLN HA 17143 1 212 DHHA(i-1) . 1 1 33 33 PRO H H 1 . . 1 1 32 32 LEU HA H 1 . 24.11 . . . . . . 1 30 PRO H 1 29 LEU HA 17143 1 213 DHHA(i-1) . 1 1 34 34 THR H H 1 . . 1 1 33 33 PRO HA H 1 . 12.00 . . . . . . 1 31 THR H 1 30 PRO HA 17143 1 214 DHHA(i-1) . 1 1 35 35 PRO H H 1 . . 1 1 34 34 THR HA H 1 . 11.73 . . . . . . 1 32 PRO H 1 31 THR HA 17143 1 215 DHHA(i-1) . 1 1 36 36 VAL H H 1 . . 1 1 35 35 PRO HA H 1 . 18.59 . . . . . . 1 33 VAL H 1 32 PRO HA 17143 1 216 DHHA(i-1) . 1 1 37 37 TYR H H 1 . . 1 1 36 36 VAL HA H 1 . -2.12 . . . . . . 1 34 TYR H 1 33 VAL HA 17143 1 217 DHHA(i-1) . 1 1 38 38 GLU H H 1 . . 1 1 37 37 TYR HA H 1 . 31.99 . . . . . . 1 35 GLU H 1 34 TYR HA 17143 1 218 DHHA(i-1) . 1 1 39 39 ILE H H 1 . . 1 1 38 38 GLU HA H 1 . -0.20 . . . . . . 1 36 ILE H 1 35 GLU HA 17143 1 219 DHHA(i-1) . 1 1 40 40 VAL H H 1 . . 1 1 39 39 ILE HA H 1 . 14.07 . . . . . . 1 37 VAL H 1 36 ILE HA 17143 1 220 DHHA(i-1) . 1 1 44 44 PRO H H 1 . . 1 1 43 43 GLY HA H 1 . 1.26 . . . . . . 1 41 PRO H 1 40 GLY HA 17143 1 221 DHHA(i-1) . 1 1 45 45 SER H H 1 . . 1 1 44 44 PRO HA H 1 . -3.40 . . . . . . 1 42 SER H 1 41 PRO HA 17143 1 222 DHHA(i-1) . 1 1 48 48 SER H H 1 . . 1 1 47 47 LYS HA H 1 . 14.07 . . . . . . 1 45 SER H 1 44 LYS HA 17143 1 223 DHHA(i-1) . 1 1 50 50 PHE H H 1 . . 1 1 49 49 LEU HA H 1 . 19.61 . . . . . . 1 47 PHE H 1 46 LEU HA 17143 1 224 DHHA(i-1) . 1 1 52 52 SER H H 1 . . 1 1 51 51 GLN HA H 1 . 2.06 . . . . . . 1 49 SER H 1 48 GLN HA 17143 1 225 DHHA(i-1) . 1 1 54 54 VAL H H 1 . . 1 1 53 53 THR HA H 1 . 3.44 . . . . . . 1 51 VAL H 1 50 THR HA 17143 1 226 DHHA(i-1) . 1 1 55 55 ILE H H 1 . . 1 1 54 54 VAL HA H 1 . 9.09 . . . . . . 1 52 ILE H 1 51 VAL HA 17143 1 227 DHHA(i-1) . 1 1 57 57 ASP H H 1 . . 1 1 56 56 LEU HA H 1 . 22.51 . . . . . . 1 54 ASP H 1 53 LEU HA 17143 1 228 DHHA(i-1) . 1 1 58 58 GLY H H 1 . . 1 1 57 57 ASP HA H 1 . 0.15 . . . . . . 1 55 GLY H 1 54 ASP HA 17143 1 229 DHHA(i-1) . 1 1 59 59 VAL H H 1 . . 1 1 58 58 GLY HA H 1 . 27.28 . . . . . . 1 56 VAL H 1 55 GLY HA 17143 1 230 DHHA(i-1) . 1 1 60 60 ARG H H 1 . . 1 1 59 59 VAL HA H 1 . 1.47 . . . . . . 1 57 ARG H 1 56 VAL HA 17143 1 231 DHHA(i-1) . 1 1 65 65 PRO H H 1 . . 1 1 64 64 LEU HA H 1 . 23.53 . . . . . . 1 62 PRO H 1 61 LEU HA 17143 1 232 DHHA(i-1) . 1 1 66 66 GLY H H 1 . . 1 1 65 65 PRO HA H 1 . 16.21 . . . . . . 1 63 GLY H 1 62 PRO HA 17143 1 233 DHHA(i-1) . 1 1 74 74 GLU H H 1 . . 1 1 73 73 ALA HA H 1 . -2.32 . . . . . . 1 71 GLU H 1 70 ALA HA 17143 1 234 DHHA(i-1) . 1 1 78 78 ALA H H 1 . . 1 1 77 77 ALA HA H 1 . 0.77 . . . . . . 1 75 ALA H 1 74 ALA HA 17143 1 235 DHHA(i-1) . 1 1 81 81 ALA H H 1 . . 1 1 80 80 VAL HA H 1 . -7.36 . . . . . . 1 78 ALA H 1 77 VAL HA 17143 1 236 DHHA(i-1) . 1 1 83 83 ARG H H 1 . . 1 1 82 82 LEU HA H 1 . -0.36 . . . . . . 1 80 ARG H 1 79 LEU HA 17143 1 237 DHHA(i-1) . 1 1 84 84 GLU H H 1 . . 1 1 83 83 ARG HA H 1 . -3.53 . . . . . . 1 81 GLU H 1 80 ARG HA 17143 1 238 DHHA(i-1) . 1 1 85 85 LEU H H 1 . . 1 1 84 84 GLU HA H 1 . -1.19 . . . . . . 1 82 LEU H 1 81 GLU HA 17143 1 239 DHHA(i-1) . 1 1 86 86 ALA H H 1 . . 1 1 85 85 LEU HA H 1 . 2.79 . . . . . . 1 83 ALA H 1 82 LEU HA 17143 1 240 DHN . 1 1 16 16 CYS H H 1 . . 1 1 16 16 CYS N N 15 . -24.44 . . . . . . 1 13 CYS H 1 13 CYS N 17143 1 241 DHN . 1 1 17 17 TYR H H 1 . . 1 1 17 17 TYR N N 15 . -22.31 . . . . . . 1 14 TYR H 1 14 TYR N 17143 1 242 DHN . 1 1 20 20 LYS H H 1 . . 1 1 20 20 LYS N N 15 . -33.31 . . . . . . 1 17 LYS H 1 17 LYS N 17143 1 243 DHN . 1 1 21 21 SER H H 1 . . 1 1 21 21 SER N N 15 . -12.33 . . . . . . 1 18 SER H 1 18 SER N 17143 1 244 DHN . 1 1 22 22 ARG H H 1 . . 1 1 22 22 ARG N N 15 . -0.54 . . . . . . 1 19 ARG H 1 19 ARG N 17143 1 245 DHN . 1 1 23 23 LEU H H 1 . . 1 1 23 23 LEU N N 15 . -23.98 . . . . . . 1 20 LEU H 1 20 LEU N 17143 1 246 DHN . 1 1 24 24 GLN H H 1 . . 1 1 24 24 GLN N N 15 . -31.82 . . . . . . 1 21 GLN H 1 21 GLN N 17143 1 247 DHN . 1 1 25 25 GLU H H 1 . . 1 1 25 25 GLU N N 15 . -6.34 . . . . . . 1 22 GLU H 1 22 GLU N 17143 1 248 DHN . 1 1 27 27 ALA H H 1 . . 1 1 27 27 ALA N N 15 . -32.36 . . . . . . 1 24 ALA H 1 24 ALA N 17143 1 249 DHN . 1 1 28 28 GLN H H 1 . . 1 1 28 28 GLN N N 15 . 14.11 . . . . . . 1 25 GLN H 1 25 GLN N 17143 1 250 DHN . 1 1 29 29 LYS H H 1 . . 1 1 29 29 LYS N N 15 . 20.80 . . . . . . 1 26 LYS H 1 26 LYS N 17143 1 251 DHN . 1 1 33 33 PRO H H 1 . . 1 1 33 33 PRO N N 15 . 3.58 . . . . . . 1 30 PRO H 1 30 PRO N 17143 1 252 DHN . 1 1 34 34 THR H H 1 . . 1 1 34 34 THR N N 15 . 17.02 . . . . . . 1 31 THR H 1 31 THR N 17143 1 253 DHN . 1 1 35 35 PRO H H 1 . . 1 1 35 35 PRO N N 15 . 1.84 . . . . . . 1 32 PRO H 1 32 PRO N 17143 1 254 DHN . 1 1 36 36 VAL H H 1 . . 1 1 36 36 VAL N N 15 . 19.27 . . . . . . 1 33 VAL H 1 33 VAL N 17143 1 255 DHN . 1 1 37 37 TYR H H 1 . . 1 1 37 37 TYR N N 15 . 14.45 . . . . . . 1 34 TYR H 1 34 TYR N 17143 1 256 DHN . 1 1 38 38 GLU H H 1 . . 1 1 38 38 GLU N N 15 . 21.97 . . . . . . 1 35 GLU H 1 35 GLU N 17143 1 257 DHN . 1 1 39 39 ILE H H 1 . . 1 1 39 39 ILE N N 15 . 17.29 . . . . . . 1 36 ILE H 1 36 ILE N 17143 1 258 DHN . 1 1 40 40 VAL H H 1 . . 1 1 40 40 VAL N N 15 . 19.84 . . . . . . 1 37 VAL H 1 37 VAL N 17143 1 259 DHN . 1 1 44 44 PRO H H 1 . . 1 1 44 44 PRO N N 15 . 18.86 . . . . . . 1 41 PRO H 1 41 PRO N 17143 1 260 DHN . 1 1 45 45 SER H H 1 . . 1 1 45 45 SER N N 15 . 14.87 . . . . . . 1 42 SER H 1 42 SER N 17143 1 261 DHN . 1 1 46 46 HIS H H 1 . . 1 1 46 46 HIS N N 15 . 17.32 . . . . . . 1 43 HIS H 1 43 HIS N 17143 1 262 DHN . 1 1 47 47 LYS H H 1 . . 1 1 47 47 LYS N N 15 . 23.40 . . . . . . 1 44 LYS H 1 44 LYS N 17143 1 263 DHN . 1 1 48 48 SER H H 1 . . 1 1 48 48 SER N N 15 . 16.31 . . . . . . 1 45 SER H 1 45 SER N 17143 1 264 DHN . 1 1 49 49 LEU H H 1 . . 1 1 49 49 LEU N N 15 . 14.02 . . . . . . 1 46 LEU H 1 46 LEU N 17143 1 265 DHN . 1 1 50 50 PHE H H 1 . . 1 1 50 50 PHE N N 15 . 6.85 . . . . . . 1 47 PHE H 1 47 PHE N 17143 1 266 DHN . 1 1 51 51 GLN H H 1 . . 1 1 51 51 GLN N N 15 . 14.60 . . . . . . 1 48 GLN H 1 48 GLN N 17143 1 267 DHN . 1 1 52 52 SER H H 1 . . 1 1 52 52 SER N N 15 . 6.40 . . . . . . 1 49 SER H 1 49 SER N 17143 1 268 DHN . 1 1 53 53 THR H H 1 . . 1 1 53 53 THR N N 15 . 22.00 . . . . . . 1 50 THR H 1 50 THR N 17143 1 269 DHN . 1 1 54 54 VAL H H 1 . . 1 1 54 54 VAL N N 15 . 14.75 . . . . . . 1 51 VAL H 1 51 VAL N 17143 1 270 DHN . 1 1 55 55 ILE H H 1 . . 1 1 55 55 ILE N N 15 . -1.75 . . . . . . 1 52 ILE H 1 52 ILE N 17143 1 271 DHN . 1 1 56 56 LEU H H 1 . . 1 1 56 56 LEU N N 15 . 12.41 . . . . . . 1 53 LEU H 1 53 LEU N 17143 1 272 DHN . 1 1 57 57 ASP H H 1 . . 1 1 57 57 ASP N N 15 . 16.86 . . . . . . 1 54 ASP H 1 54 ASP N 17143 1 273 DHN . 1 1 58 58 GLY H H 1 . . 1 1 58 58 GLY N N 15 . 19.63 . . . . . . 1 55 GLY H 1 55 GLY N 17143 1 274 DHN . 1 1 59 59 VAL H H 1 . . 1 1 59 59 VAL N N 15 . 1.00 . . . . . . 1 56 VAL H 1 56 VAL N 17143 1 275 DHN . 1 1 60 60 ARG H H 1 . . 1 1 60 60 ARG N N 15 . 6.96 . . . . . . 1 57 ARG H 1 57 ARG N 17143 1 276 DHN . 1 1 63 63 SER H H 1 . . 1 1 63 63 SER N N 15 . 17.52 . . . . . . 1 60 SER H 1 60 SER N 17143 1 277 DHN . 1 1 64 64 LEU H H 1 . . 1 1 64 64 LEU N N 15 . 12.54 . . . . . . 1 61 LEU H 1 61 LEU N 17143 1 278 DHN . 1 1 65 65 PRO H H 1 . . 1 1 65 65 PRO N N 15 . 8.43 . . . . . . 1 62 PRO H 1 62 PRO N 17143 1 279 DHN . 1 1 66 66 GLY H H 1 . . 1 1 66 66 GLY N N 15 . -18.76 . . . . . . 1 63 GLY H 1 63 GLY N 17143 1 280 DHN . 1 1 67 67 PHE H H 1 . . 1 1 67 67 PHE N N 15 . -26.28 . . . . . . 1 64 PHE H 1 64 PHE N 17143 1 281 DHN . 1 1 68 68 PHE H H 1 . . 1 1 68 68 PHE N N 15 . -29.46 . . . . . . 1 65 PHE H 1 65 PHE N 17143 1 282 DHN . 1 1 71 71 LYS H H 1 . . 1 1 71 71 LYS N N 15 . -23.88 . . . . . . 1 68 LYS H 1 68 LYS N 17143 1 283 DHN . 1 1 72 72 ALA H H 1 . . 1 1 72 72 ALA N N 15 . -38.27 . . . . . . 1 69 ALA H 1 69 ALA N 17143 1 284 DHN . 1 1 73 73 ALA H H 1 . . 1 1 73 73 ALA N N 15 . -43.39 . . . . . . 1 70 ALA H 1 70 ALA N 17143 1 285 DHN . 1 1 77 77 ALA H H 1 . . 1 1 77 77 ALA N N 15 . -36.51 . . . . . . 1 74 ALA H 1 74 ALA N 17143 1 286 DHN . 1 1 78 78 ALA H H 1 . . 1 1 78 78 ALA N N 15 . -28.02 . . . . . . 1 75 ALA H 1 75 ALA N 17143 1 287 DHN . 1 1 79 79 GLU H H 1 . . 1 1 79 79 GLU N N 15 . -35.59 . . . . . . 1 76 GLU H 1 76 GLU N 17143 1 288 DHN . 1 1 81 81 ALA H H 1 . . 1 1 81 81 ALA N N 15 . -29.45 . . . . . . 1 78 ALA H 1 78 ALA N 17143 1 289 DHN . 1 1 82 82 LEU H H 1 . . 1 1 82 82 LEU N N 15 . -28.75 . . . . . . 1 79 LEU H 1 79 LEU N 17143 1 290 DHN . 1 1 83 83 ARG H H 1 . . 1 1 83 83 ARG N N 15 . -35.08 . . . . . . 1 80 ARG H 1 80 ARG N 17143 1 291 DHN . 1 1 84 84 GLU H H 1 . . 1 1 84 84 GLU N N 15 . -28.16 . . . . . . 1 81 GLU H 1 81 GLU N 17143 1 292 DHN . 1 1 85 85 LEU H H 1 . . 1 1 85 85 LEU N N 15 . -12.73 . . . . . . 1 82 LEU H 1 82 LEU N 17143 1 stop_ save_