data_10123 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10123 _Entry.Title ; Solution structure of the PWWP domain of mouse Hepatoma-derived growth factor, related protein 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-02 _Entry.Accession_date 2007-04-03 _Entry.Last_release_date 2008-07-16 _Entry.Original_release_date 2008-07-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 N. Nameki . . . 10123 2 T. Kigawa . . . 10123 3 S. Koshiba . . . 10123 4 N. Kobayashi . . . 10123 5 N. Tochio . . . 10123 6 M. Inoue . . . 10123 7 S. Yokoyama . . . 10123 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10123 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10123 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 438 10123 '15N chemical shifts' 91 10123 '1H chemical shifts' 644 10123 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 . . 2008-07-16 2007-04-02 original author . 10123 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1N27 'BMRB Entry Tracking System' 10123 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10123 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15689505 _Citation.Full_citation . _Citation.Title ; Solution structure of the PWWP domain of the hepatoma-derived growth factor family. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein Science' _Citation.Journal_volume 14 _Citation.Journal_issue 3 _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 756 _Citation.Page_last 764 _Citation.Year 2005 _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 N. Nameki . . . 10123 1 2 N. Tochio . . . 10123 1 3 S. Koshiba . . . 10123 1 4 M. Inoue . . . 10123 1 5 T. Yabuki . . . 10123 1 6 M. Aoki . . . 10123 1 7 E. Seki . . . 10123 1 8 T. Matsuda . . . 10123 1 9 Y. Fujikura . . . 10123 1 10 M. Saito . . . 10123 1 11 M. Ikari . . . 10123 1 12 M. Watanabe . . . 10123 1 13 T. Terada . . . 10123 1 14 M. Shirouzu . . . 10123 1 15 M. Yoshida . . . 10123 1 16 H. Hirota . . . 10123 1 17 A. Tanaka . . . 10123 1 18 Y. Hayashizaki . . . 10123 1 19 P. Guntert . . . 10123 1 20 T. Kigawa . . . 10123 1 21 S. Yokoyama . . . 10123 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10123 _Assembly.ID 1 _Assembly.Name 'Hepatoma-derived growth factor, related protein 3' _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 'PWWP domain' 1 $entity_1 A . yes native no no . . . 10123 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1N27 . . . . . . 10123 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10123 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PWWP domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGEYKAGDLVFAKMK GYPHWPARIDELPEGAVKPP ANKYPIFFFGTHETAFLGPK DLFPYKEYKDKFGKSNKRKG FNEGLWEIENSGPSSG ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1N27 . "Solution Structure Of The Pwwp Domain Of Mouse Hepatoma- Derived Growth Factor, Related Protein 3" . . . . . 100.00 96 100.00 100.00 6.17e-61 . . . . 10123 1 2 no DBJ BAA90477 . "HRP-3 [Homo sapiens]" . . . . . 87.50 203 98.81 100.00 3.11e-54 . . . . 10123 1 3 no DBJ BAA90478 . "hepatoma-derived growth factor-related protein HRP-3 [Mus musculus]" . . . . . 87.50 202 98.81 100.00 3.92e-54 . . . . 10123 1 4 no DBJ BAA91597 . "unnamed protein product [Homo sapiens]" . . . . . 87.50 203 98.81 100.00 3.11e-54 . . . . 10123 1 5 no DBJ BAB31754 . "unnamed protein product [Mus musculus]" . . . . . 87.50 202 98.81 100.00 4.47e-54 . . . . 10123 1 6 no DBJ BAC32123 . "unnamed protein product [Mus musculus]" . . . . . 87.50 202 98.81 100.00 4.47e-54 . . . . 10123 1 7 no GB AAD34137 . "CGI-142 protein [Homo sapiens]" . . . . . 87.50 203 98.81 100.00 3.11e-54 . . . . 10123 1 8 no GB AAH15483 . "Hepatoma-derived growth factor, related protein 3 [Homo sapiens]" . . . . . 87.50 203 98.81 100.00 3.11e-54 . . . . 10123 1 9 no GB AAH55734 . "Hepatoma-derived growth factor, related protein 3 [Mus musculus]" . . . . . 87.50 202 98.81 100.00 4.47e-54 . . . . 10123 1 10 no GB AAI51803 . "LOC784070 protein [Bos taurus]" . . . . . 87.50 142 98.81 100.00 4.00e-53 . . . . 10123 1 11 no GB AAK72965 . "HRP3 [Rattus norvegicus]" . . . . . 87.50 202 98.81 100.00 4.10e-54 . . . . 10123 1 12 no REF NP_001178297 . "hepatoma-derived growth factor-related protein 3 [Bos taurus]" . . . . . 87.50 203 98.81 100.00 2.86e-54 . . . . 10123 1 13 no REF NP_001297902 . "hepatoma-derived growth factor-related protein 3 [Esox lucius]" . . . . . 87.50 225 97.62 97.62 9.03e-53 . . . . 10123 1 14 no REF NP_038914 . "hepatoma-derived growth factor-related protein 3 [Mus musculus]" . . . . . 87.50 202 98.81 100.00 4.47e-54 . . . . 10123 1 15 no REF NP_057157 . "hepatoma-derived growth factor-related protein 3 [Homo sapiens]" . . . . . 87.50 203 98.81 100.00 3.11e-54 . . . . 10123 1 16 no REF NP_665728 . "hepatoma-derived growth factor-related protein 3 [Rattus norvegicus]" . . . . . 87.50 202 98.81 100.00 4.10e-54 . . . . 10123 1 17 no SP Q923W4 . "RecName: Full=Hepatoma-derived growth factor-related protein 3; Short=HRP-3" . . . . . 87.50 202 98.81 100.00 4.10e-54 . . . . 10123 1 18 no SP Q9JMG7 . "RecName: Full=Hepatoma-derived growth factor-related protein 3; Short=HRP-3" . . . . . 87.50 202 98.81 100.00 4.47e-54 . . . . 10123 1 19 no SP Q9Y3E1 . "RecName: Full=Hepatoma-derived growth factor-related protein 3; Short=HRP-3; AltName: Full=Hepatoma-derived growth factor 2; Sh" . . . . . 87.50 203 98.81 100.00 3.11e-54 . . . . 10123 1 20 no TPG DAA17616 . "TPA: Hepatoma-derived growth factor-related protein 3 (HRP-3) (Hepatoma-derived growth factor 2)-like protein [Bos taurus]" . . . . . 87.50 203 98.81 100.00 2.86e-54 . . . . 10123 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PWWP domain' . 10123 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10123 1 2 . SER . 10123 1 3 . SER . 10123 1 4 . GLY . 10123 1 5 . SER . 10123 1 6 . SER . 10123 1 7 . GLY . 10123 1 8 . GLU . 10123 1 9 . TYR . 10123 1 10 . LYS . 10123 1 11 . ALA . 10123 1 12 . GLY . 10123 1 13 . ASP . 10123 1 14 . LEU . 10123 1 15 . VAL . 10123 1 16 . PHE . 10123 1 17 . ALA . 10123 1 18 . LYS . 10123 1 19 . MET . 10123 1 20 . LYS . 10123 1 21 . GLY . 10123 1 22 . TYR . 10123 1 23 . PRO . 10123 1 24 . HIS . 10123 1 25 . TRP . 10123 1 26 . PRO . 10123 1 27 . ALA . 10123 1 28 . ARG . 10123 1 29 . ILE . 10123 1 30 . ASP . 10123 1 31 . GLU . 10123 1 32 . LEU . 10123 1 33 . PRO . 10123 1 34 . GLU . 10123 1 35 . GLY . 10123 1 36 . ALA . 10123 1 37 . VAL . 10123 1 38 . LYS . 10123 1 39 . PRO . 10123 1 40 . PRO . 10123 1 41 . ALA . 10123 1 42 . ASN . 10123 1 43 . LYS . 10123 1 44 . TYR . 10123 1 45 . PRO . 10123 1 46 . ILE . 10123 1 47 . PHE . 10123 1 48 . PHE . 10123 1 49 . PHE . 10123 1 50 . GLY . 10123 1 51 . THR . 10123 1 52 . HIS . 10123 1 53 . GLU . 10123 1 54 . THR . 10123 1 55 . ALA . 10123 1 56 . PHE . 10123 1 57 . LEU . 10123 1 58 . GLY . 10123 1 59 . PRO . 10123 1 60 . LYS . 10123 1 61 . ASP . 10123 1 62 . LEU . 10123 1 63 . PHE . 10123 1 64 . PRO . 10123 1 65 . TYR . 10123 1 66 . LYS . 10123 1 67 . GLU . 10123 1 68 . TYR . 10123 1 69 . LYS . 10123 1 70 . ASP . 10123 1 71 . LYS . 10123 1 72 . PHE . 10123 1 73 . GLY . 10123 1 74 . LYS . 10123 1 75 . SER . 10123 1 76 . ASN . 10123 1 77 . LYS . 10123 1 78 . ARG . 10123 1 79 . LYS . 10123 1 80 . GLY . 10123 1 81 . PHE . 10123 1 82 . ASN . 10123 1 83 . GLU . 10123 1 84 . GLY . 10123 1 85 . LEU . 10123 1 86 . TRP . 10123 1 87 . GLU . 10123 1 88 . ILE . 10123 1 89 . GLU . 10123 1 90 . ASN . 10123 1 91 . SER . 10123 1 92 . GLY . 10123 1 93 . PRO . 10123 1 94 . SER . 10123 1 95 . SER . 10123 1 96 . GLY . 10123 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 10123 1 . SER 2 2 10123 1 . SER 3 3 10123 1 . GLY 4 4 10123 1 . SER 5 5 10123 1 . SER 6 6 10123 1 . GLY 7 7 10123 1 . GLU 8 8 10123 1 . TYR 9 9 10123 1 . LYS 10 10 10123 1 . ALA 11 11 10123 1 . GLY 12 12 10123 1 . ASP 13 13 10123 1 . LEU 14 14 10123 1 . VAL 15 15 10123 1 . PHE 16 16 10123 1 . ALA 17 17 10123 1 . LYS 18 18 10123 1 . MET 19 19 10123 1 . LYS 20 20 10123 1 . GLY 21 21 10123 1 . TYR 22 22 10123 1 . PRO 23 23 10123 1 . HIS 24 24 10123 1 . TRP 25 25 10123 1 . PRO 26 26 10123 1 . ALA 27 27 10123 1 . ARG 28 28 10123 1 . ILE 29 29 10123 1 . ASP 30 30 10123 1 . GLU 31 31 10123 1 . LEU 32 32 10123 1 . PRO 33 33 10123 1 . GLU 34 34 10123 1 . GLY 35 35 10123 1 . ALA 36 36 10123 1 . VAL 37 37 10123 1 . LYS 38 38 10123 1 . PRO 39 39 10123 1 . PRO 40 40 10123 1 . ALA 41 41 10123 1 . ASN 42 42 10123 1 . LYS 43 43 10123 1 . TYR 44 44 10123 1 . PRO 45 45 10123 1 . ILE 46 46 10123 1 . PHE 47 47 10123 1 . PHE 48 48 10123 1 . PHE 49 49 10123 1 . GLY 50 50 10123 1 . THR 51 51 10123 1 . HIS 52 52 10123 1 . GLU 53 53 10123 1 . THR 54 54 10123 1 . ALA 55 55 10123 1 . PHE 56 56 10123 1 . LEU 57 57 10123 1 . GLY 58 58 10123 1 . PRO 59 59 10123 1 . LYS 60 60 10123 1 . ASP 61 61 10123 1 . LEU 62 62 10123 1 . PHE 63 63 10123 1 . PRO 64 64 10123 1 . TYR 65 65 10123 1 . LYS 66 66 10123 1 . GLU 67 67 10123 1 . TYR 68 68 10123 1 . LYS 69 69 10123 1 . ASP 70 70 10123 1 . LYS 71 71 10123 1 . PHE 72 72 10123 1 . GLY 73 73 10123 1 . LYS 74 74 10123 1 . SER 75 75 10123 1 . ASN 76 76 10123 1 . LYS 77 77 10123 1 . ARG 78 78 10123 1 . LYS 79 79 10123 1 . GLY 80 80 10123 1 . PHE 81 81 10123 1 . ASN 82 82 10123 1 . GLU 83 83 10123 1 . GLY 84 84 10123 1 . LEU 85 85 10123 1 . TRP 86 86 10123 1 . GLU 87 87 10123 1 . ILE 88 88 10123 1 . GLU 89 89 10123 1 . ASN 90 90 10123 1 . SER 91 91 10123 1 . GLY 92 92 10123 1 . PRO 93 93 10123 1 . SER 94 94 10123 1 . SER 95 95 10123 1 . GLY 96 96 10123 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 10123 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10123 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 10123 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P020408-01 . . . . . . 10123 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10123 _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 'PWWP domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.7 . . mM . . . . 10123 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10123 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10123 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10123 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10123 1 6 H2O . . . . . . solvent 90 . . % . . . . 10123 1 7 D2O . . . . . . solvent 10 . . % . . . . 10123 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10123 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10123 1 pH 6.0 0.05 pH 10123 1 pressure 1 0.001 atm 10123 1 temperature 298 0.1 K 10123 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10123 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10123 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10123 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10123 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10123 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10123 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10123 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10123 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10123 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10123 _Software.ID 4 _Software.Name Kujira _Software.Version 0.613 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10123 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10123 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10123 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10123 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 10123 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 10123 _Software.ID 6 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Billeter, M.' . . 10123 6 'Guntert, P.' . . 10123 6 'Koradi, R.' . . 10123 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10123 6 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 10123 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 10123 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10123 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 10123 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10123 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10123 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10123 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10123 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10123 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10123 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10123 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10123 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10123 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 3 3 SER HA H 1 4.551 0.030 . 1 . . . . 3 SER HA . 10123 1 2 . 1 1 3 3 SER HB2 H 1 3.939 0.030 . 1 . . . . 3 SER HB2 . 10123 1 3 . 1 1 3 3 SER HB3 H 1 3.939 0.030 . 1 . . . . 3 SER HB3 . 10123 1 4 . 1 1 3 3 SER C C 13 175.084 0.300 . 1 . . . . 3 SER C . 10123 1 5 . 1 1 3 3 SER CA C 13 58.636 0.300 . 1 . . . . 3 SER CA . 10123 1 6 . 1 1 3 3 SER CB C 13 63.870 0.300 . 1 . . . . 3 SER CB . 10123 1 7 . 1 1 4 4 GLY H H 1 8.508 0.030 . 1 . . . . 4 GLY H . 10123 1 8 . 1 1 4 4 GLY HA2 H 1 4.052 0.030 . 1 . . . . 4 GLY HA2 . 10123 1 9 . 1 1 4 4 GLY HA3 H 1 4.052 0.030 . 1 . . . . 4 GLY HA3 . 10123 1 10 . 1 1 4 4 GLY C C 13 174.382 0.300 . 1 . . . . 4 GLY C . 10123 1 11 . 1 1 4 4 GLY CA C 13 45.501 0.300 . 1 . . . . 4 GLY CA . 10123 1 12 . 1 1 4 4 GLY N N 15 111.063 0.300 . 1 . . . . 4 GLY N . 10123 1 13 . 1 1 5 5 SER H H 1 8.300 0.030 . 1 . . . . 5 SER H . 10123 1 14 . 1 1 5 5 SER HA H 1 4.500 0.030 . 1 . . . . 5 SER HA . 10123 1 15 . 1 1 5 5 SER HB2 H 1 3.916 0.030 . 1 . . . . 5 SER HB2 . 10123 1 16 . 1 1 5 5 SER HB3 H 1 3.916 0.030 . 1 . . . . 5 SER HB3 . 10123 1 17 . 1 1 5 5 SER C C 13 174.823 0.300 . 1 . . . . 5 SER C . 10123 1 18 . 1 1 5 5 SER CA C 13 58.355 0.300 . 1 . . . . 5 SER CA . 10123 1 19 . 1 1 5 5 SER CB C 13 63.860 0.300 . 1 . . . . 5 SER CB . 10123 1 20 . 1 1 5 5 SER N N 15 115.942 0.300 . 1 . . . . 5 SER N . 10123 1 21 . 1 1 6 6 SER H H 1 8.490 0.030 . 1 . . . . 6 SER H . 10123 1 22 . 1 1 6 6 SER HA H 1 4.498 0.030 . 1 . . . . 6 SER HA . 10123 1 23 . 1 1 6 6 SER HB2 H 1 3.928 0.030 . 1 . . . . 6 SER HB2 . 10123 1 24 . 1 1 6 6 SER HB3 H 1 3.928 0.030 . 1 . . . . 6 SER HB3 . 10123 1 25 . 1 1 6 6 SER C C 13 174.982 0.300 . 1 . . . . 6 SER C . 10123 1 26 . 1 1 6 6 SER CA C 13 59.000 0.300 . 1 . . . . 6 SER CA . 10123 1 27 . 1 1 6 6 SER CB C 13 63.802 0.300 . 1 . . . . 6 SER CB . 10123 1 28 . 1 1 6 6 SER N N 15 117.990 0.300 . 1 . . . . 6 SER N . 10123 1 29 . 1 1 7 7 GLY H H 1 8.370 0.030 . 1 . . . . 7 GLY H . 10123 1 30 . 1 1 7 7 GLY HA2 H 1 3.991 0.030 . 2 . . . . 7 GLY HA2 . 10123 1 31 . 1 1 7 7 GLY HA3 H 1 3.937 0.030 . 2 . . . . 7 GLY HA3 . 10123 1 32 . 1 1 7 7 GLY C C 13 173.512 0.300 . 1 . . . . 7 GLY C . 10123 1 33 . 1 1 7 7 GLY CA C 13 45.424 0.300 . 1 . . . . 7 GLY CA . 10123 1 34 . 1 1 7 7 GLY N N 15 110.689 0.300 . 1 . . . . 7 GLY N . 10123 1 35 . 1 1 8 8 GLU H H 1 7.990 0.030 . 1 . . . . 8 GLU H . 10123 1 36 . 1 1 8 8 GLU HA H 1 4.255 0.030 . 1 . . . . 8 GLU HA . 10123 1 37 . 1 1 8 8 GLU HB2 H 1 1.839 0.030 . 2 . . . . 8 GLU HB2 . 10123 1 38 . 1 1 8 8 GLU HB3 H 1 1.934 0.030 . 2 . . . . 8 GLU HB3 . 10123 1 39 . 1 1 8 8 GLU HG2 H 1 2.167 0.030 . 1 . . . . 8 GLU HG2 . 10123 1 40 . 1 1 8 8 GLU HG3 H 1 2.167 0.030 . 1 . . . . 8 GLU HG3 . 10123 1 41 . 1 1 8 8 GLU C C 13 175.542 0.300 . 1 . . . . 8 GLU C . 10123 1 42 . 1 1 8 8 GLU CA C 13 56.460 0.300 . 1 . . . . 8 GLU CA . 10123 1 43 . 1 1 8 8 GLU CB C 13 30.795 0.300 . 1 . . . . 8 GLU CB . 10123 1 44 . 1 1 8 8 GLU CG C 13 36.155 0.300 . 1 . . . . 8 GLU CG . 10123 1 45 . 1 1 8 8 GLU N N 15 120.122 0.300 . 1 . . . . 8 GLU N . 10123 1 46 . 1 1 9 9 TYR H H 1 7.397 0.030 . 1 . . . . 9 TYR H . 10123 1 47 . 1 1 9 9 TYR HA H 1 4.574 0.030 . 1 . . . . 9 TYR HA . 10123 1 48 . 1 1 9 9 TYR HB2 H 1 2.640 0.030 . 2 . . . . 9 TYR HB2 . 10123 1 49 . 1 1 9 9 TYR HB3 H 1 1.729 0.030 . 2 . . . . 9 TYR HB3 . 10123 1 50 . 1 1 9 9 TYR HD1 H 1 6.762 0.030 . 1 . . . . 9 TYR HD1 . 10123 1 51 . 1 1 9 9 TYR HD2 H 1 6.762 0.030 . 1 . . . . 9 TYR HD2 . 10123 1 52 . 1 1 9 9 TYR HE1 H 1 6.532 0.030 . 1 . . . . 9 TYR HE1 . 10123 1 53 . 1 1 9 9 TYR HE2 H 1 6.532 0.030 . 1 . . . . 9 TYR HE2 . 10123 1 54 . 1 1 9 9 TYR C C 13 174.374 0.300 . 1 . . . . 9 TYR C . 10123 1 55 . 1 1 9 9 TYR CA C 13 57.870 0.300 . 1 . . . . 9 TYR CA . 10123 1 56 . 1 1 9 9 TYR CB C 13 40.918 0.300 . 1 . . . . 9 TYR CB . 10123 1 57 . 1 1 9 9 TYR CD1 C 13 132.633 0.300 . 1 . . . . 9 TYR CD1 . 10123 1 58 . 1 1 9 9 TYR CD2 C 13 132.633 0.300 . 1 . . . . 9 TYR CD2 . 10123 1 59 . 1 1 9 9 TYR CE1 C 13 117.806 0.300 . 1 . . . . 9 TYR CE1 . 10123 1 60 . 1 1 9 9 TYR CE2 C 13 117.806 0.300 . 1 . . . . 9 TYR CE2 . 10123 1 61 . 1 1 9 9 TYR N N 15 118.854 0.300 . 1 . . . . 9 TYR N . 10123 1 62 . 1 1 10 10 LYS H H 1 8.833 0.030 . 1 . . . . 10 LYS H . 10123 1 63 . 1 1 10 10 LYS HA H 1 4.654 0.030 . 1 . . . . 10 LYS HA . 10123 1 64 . 1 1 10 10 LYS HB2 H 1 1.814 0.030 . 1 . . . . 10 LYS HB2 . 10123 1 65 . 1 1 10 10 LYS HB3 H 1 1.814 0.030 . 1 . . . . 10 LYS HB3 . 10123 1 66 . 1 1 10 10 LYS HG2 H 1 1.542 0.030 . 2 . . . . 10 LYS HG2 . 10123 1 67 . 1 1 10 10 LYS HG3 H 1 1.338 0.030 . 2 . . . . 10 LYS HG3 . 10123 1 68 . 1 1 10 10 LYS HD2 H 1 1.701 0.030 . 1 . . . . 10 LYS HD2 . 10123 1 69 . 1 1 10 10 LYS HD3 H 1 1.701 0.030 . 1 . . . . 10 LYS HD3 . 10123 1 70 . 1 1 10 10 LYS HE2 H 1 3.083 0.030 . 1 . . . . 10 LYS HE2 . 10123 1 71 . 1 1 10 10 LYS HE3 H 1 3.083 0.030 . 1 . . . . 10 LYS HE3 . 10123 1 72 . 1 1 10 10 LYS C C 13 174.909 0.300 . 1 . . . . 10 LYS C . 10123 1 73 . 1 1 10 10 LYS CA C 13 54.114 0.300 . 1 . . . . 10 LYS CA . 10123 1 74 . 1 1 10 10 LYS CB C 13 35.767 0.300 . 1 . . . . 10 LYS CB . 10123 1 75 . 1 1 10 10 LYS CG C 13 23.708 0.300 . 1 . . . . 10 LYS CG . 10123 1 76 . 1 1 10 10 LYS CD C 13 28.983 0.300 . 1 . . . . 10 LYS CD . 10123 1 77 . 1 1 10 10 LYS CE C 13 42.337 0.300 . 1 . . . . 10 LYS CE . 10123 1 78 . 1 1 10 10 LYS N N 15 120.680 0.300 . 1 . . . . 10 LYS N . 10123 1 79 . 1 1 11 11 ALA H H 1 8.470 0.030 . 1 . . . . 11 ALA H . 10123 1 80 . 1 1 11 11 ALA HA H 1 3.698 0.030 . 1 . . . . 11 ALA HA . 10123 1 81 . 1 1 11 11 ALA HB1 H 1 1.304 0.030 . 1 . . . . 11 ALA HB . 10123 1 82 . 1 1 11 11 ALA HB2 H 1 1.304 0.030 . 1 . . . . 11 ALA HB . 10123 1 83 . 1 1 11 11 ALA HB3 H 1 1.304 0.030 . 1 . . . . 11 ALA HB . 10123 1 84 . 1 1 11 11 ALA C C 13 178.425 0.300 . 1 . . . . 11 ALA C . 10123 1 85 . 1 1 11 11 ALA CA C 13 53.854 0.300 . 1 . . . . 11 ALA CA . 10123 1 86 . 1 1 11 11 ALA CB C 13 18.057 0.300 . 1 . . . . 11 ALA CB . 10123 1 87 . 1 1 11 11 ALA N N 15 122.188 0.300 . 1 . . . . 11 ALA N . 10123 1 88 . 1 1 12 12 GLY H H 1 9.278 0.030 . 1 . . . . 12 GLY H . 10123 1 89 . 1 1 12 12 GLY HA2 H 1 4.487 0.030 . 2 . . . . 12 GLY HA2 . 10123 1 90 . 1 1 12 12 GLY HA3 H 1 3.509 0.030 . 2 . . . . 12 GLY HA3 . 10123 1 91 . 1 1 12 12 GLY C C 13 174.774 0.300 . 1 . . . . 12 GLY C . 10123 1 92 . 1 1 12 12 GLY CA C 13 44.765 0.300 . 1 . . . . 12 GLY CA . 10123 1 93 . 1 1 12 12 GLY N N 15 113.032 0.300 . 1 . . . . 12 GLY N . 10123 1 94 . 1 1 13 13 ASP H H 1 8.285 0.030 . 1 . . . . 13 ASP H . 10123 1 95 . 1 1 13 13 ASP HA H 1 4.613 0.030 . 1 . . . . 13 ASP HA . 10123 1 96 . 1 1 13 13 ASP HB2 H 1 3.004 0.030 . 2 . . . . 13 ASP HB2 . 10123 1 97 . 1 1 13 13 ASP HB3 H 1 2.619 0.030 . 2 . . . . 13 ASP HB3 . 10123 1 98 . 1 1 13 13 ASP C C 13 175.274 0.300 . 1 . . . . 13 ASP C . 10123 1 99 . 1 1 13 13 ASP CA C 13 55.788 0.300 . 1 . . . . 13 ASP CA . 10123 1 100 . 1 1 13 13 ASP CB C 13 40.984 0.300 . 1 . . . . 13 ASP CB . 10123 1 101 . 1 1 13 13 ASP N N 15 121.995 0.300 . 1 . . . . 13 ASP N . 10123 1 102 . 1 1 14 14 LEU H H 1 8.548 0.030 . 1 . . . . 14 LEU H . 10123 1 103 . 1 1 14 14 LEU HA H 1 5.037 0.030 . 1 . . . . 14 LEU HA . 10123 1 104 . 1 1 14 14 LEU HB2 H 1 2.000 0.030 . 2 . . . . 14 LEU HB2 . 10123 1 105 . 1 1 14 14 LEU HB3 H 1 1.108 0.030 . 2 . . . . 14 LEU HB3 . 10123 1 106 . 1 1 14 14 LEU HG H 1 2.009 0.030 . 1 . . . . 14 LEU HG . 10123 1 107 . 1 1 14 14 LEU HD11 H 1 0.799 0.030 . 1 . . . . 14 LEU HD1 . 10123 1 108 . 1 1 14 14 LEU HD12 H 1 0.799 0.030 . 1 . . . . 14 LEU HD1 . 10123 1 109 . 1 1 14 14 LEU HD13 H 1 0.799 0.030 . 1 . . . . 14 LEU HD1 . 10123 1 110 . 1 1 14 14 LEU HD21 H 1 0.991 0.030 . 1 . . . . 14 LEU HD2 . 10123 1 111 . 1 1 14 14 LEU HD22 H 1 0.991 0.030 . 1 . . . . 14 LEU HD2 . 10123 1 112 . 1 1 14 14 LEU HD23 H 1 0.991 0.030 . 1 . . . . 14 LEU HD2 . 10123 1 113 . 1 1 14 14 LEU C C 13 178.004 0.300 . 1 . . . . 14 LEU C . 10123 1 114 . 1 1 14 14 LEU CA C 13 53.939 0.300 . 1 . . . . 14 LEU CA . 10123 1 115 . 1 1 14 14 LEU CB C 13 42.098 0.300 . 1 . . . . 14 LEU CB . 10123 1 116 . 1 1 14 14 LEU CG C 13 26.339 0.300 . 1 . . . . 14 LEU CG . 10123 1 117 . 1 1 14 14 LEU CD1 C 13 25.338 0.300 . 2 . . . . 14 LEU CD1 . 10123 1 118 . 1 1 14 14 LEU CD2 C 13 21.666 0.300 . 2 . . . . 14 LEU CD2 . 10123 1 119 . 1 1 14 14 LEU N N 15 120.033 0.300 . 1 . . . . 14 LEU N . 10123 1 120 . 1 1 15 15 VAL H H 1 8.992 0.030 . 1 . . . . 15 VAL H . 10123 1 121 . 1 1 15 15 VAL HA H 1 5.362 0.030 . 1 . . . . 15 VAL HA . 10123 1 122 . 1 1 15 15 VAL HB H 1 2.143 0.030 . 1 . . . . 15 VAL HB . 10123 1 123 . 1 1 15 15 VAL HG11 H 1 0.336 0.030 . 1 . . . . 15 VAL HG1 . 10123 1 124 . 1 1 15 15 VAL HG12 H 1 0.336 0.030 . 1 . . . . 15 VAL HG1 . 10123 1 125 . 1 1 15 15 VAL HG13 H 1 0.336 0.030 . 1 . . . . 15 VAL HG1 . 10123 1 126 . 1 1 15 15 VAL HG21 H 1 0.553 0.030 . 1 . . . . 15 VAL HG2 . 10123 1 127 . 1 1 15 15 VAL HG22 H 1 0.553 0.030 . 1 . . . . 15 VAL HG2 . 10123 1 128 . 1 1 15 15 VAL HG23 H 1 0.553 0.030 . 1 . . . . 15 VAL HG2 . 10123 1 129 . 1 1 15 15 VAL C C 13 175.347 0.300 . 1 . . . . 15 VAL C . 10123 1 130 . 1 1 15 15 VAL CA C 13 59.237 0.300 . 1 . . . . 15 VAL CA . 10123 1 131 . 1 1 15 15 VAL CB C 13 37.027 0.300 . 1 . . . . 15 VAL CB . 10123 1 132 . 1 1 15 15 VAL CG1 C 13 17.979 0.300 . 2 . . . . 15 VAL CG1 . 10123 1 133 . 1 1 15 15 VAL CG2 C 13 22.916 0.300 . 2 . . . . 15 VAL CG2 . 10123 1 134 . 1 1 15 15 VAL N N 15 117.496 0.300 . 1 . . . . 15 VAL N . 10123 1 135 . 1 1 16 16 PHE H H 1 9.646 0.030 . 1 . . . . 16 PHE H . 10123 1 136 . 1 1 16 16 PHE HA H 1 5.262 0.030 . 1 . . . . 16 PHE HA . 10123 1 137 . 1 1 16 16 PHE HB2 H 1 2.723 0.030 . 2 . . . . 16 PHE HB2 . 10123 1 138 . 1 1 16 16 PHE HB3 H 1 2.896 0.030 . 2 . . . . 16 PHE HB3 . 10123 1 139 . 1 1 16 16 PHE HD1 H 1 7.123 0.030 . 1 . . . . 16 PHE HD1 . 10123 1 140 . 1 1 16 16 PHE HD2 H 1 7.123 0.030 . 1 . . . . 16 PHE HD2 . 10123 1 141 . 1 1 16 16 PHE HE1 H 1 7.272 0.030 . 1 . . . . 16 PHE HE1 . 10123 1 142 . 1 1 16 16 PHE HE2 H 1 7.272 0.030 . 1 . . . . 16 PHE HE2 . 10123 1 143 . 1 1 16 16 PHE HZ H 1 7.120 0.030 . 1 . . . . 16 PHE HZ . 10123 1 144 . 1 1 16 16 PHE C C 13 175.083 0.300 . 1 . . . . 16 PHE C . 10123 1 145 . 1 1 16 16 PHE CA C 13 58.497 0.300 . 1 . . . . 16 PHE CA . 10123 1 146 . 1 1 16 16 PHE CB C 13 42.519 0.300 . 1 . . . . 16 PHE CB . 10123 1 147 . 1 1 16 16 PHE CD1 C 13 131.946 0.300 . 1 . . . . 16 PHE CD1 . 10123 1 148 . 1 1 16 16 PHE CD2 C 13 131.946 0.300 . 1 . . . . 16 PHE CD2 . 10123 1 149 . 1 1 16 16 PHE CE1 C 13 131.893 0.300 . 1 . . . . 16 PHE CE1 . 10123 1 150 . 1 1 16 16 PHE CE2 C 13 131.893 0.300 . 1 . . . . 16 PHE CE2 . 10123 1 151 . 1 1 16 16 PHE CZ C 13 128.854 0.300 . 1 . . . . 16 PHE CZ . 10123 1 152 . 1 1 16 16 PHE N N 15 113.746 0.300 . 1 . . . . 16 PHE N . 10123 1 153 . 1 1 17 17 ALA H H 1 9.650 0.030 . 1 . . . . 17 ALA H . 10123 1 154 . 1 1 17 17 ALA HA H 1 5.531 0.030 . 1 . . . . 17 ALA HA . 10123 1 155 . 1 1 17 17 ALA HB1 H 1 1.025 0.030 . 1 . . . . 17 ALA HB . 10123 1 156 . 1 1 17 17 ALA HB2 H 1 1.025 0.030 . 1 . . . . 17 ALA HB . 10123 1 157 . 1 1 17 17 ALA HB3 H 1 1.025 0.030 . 1 . . . . 17 ALA HB . 10123 1 158 . 1 1 17 17 ALA C C 13 177.273 0.300 . 1 . . . . 17 ALA C . 10123 1 159 . 1 1 17 17 ALA CA C 13 49.910 0.300 . 1 . . . . 17 ALA CA . 10123 1 160 . 1 1 17 17 ALA CB C 13 23.518 0.300 . 1 . . . . 17 ALA CB . 10123 1 161 . 1 1 17 17 ALA N N 15 124.732 0.300 . 1 . . . . 17 ALA N . 10123 1 162 . 1 1 18 18 LYS H H 1 9.491 0.030 . 1 . . . . 18 LYS H . 10123 1 163 . 1 1 18 18 LYS HA H 1 4.618 0.030 . 1 . . . . 18 LYS HA . 10123 1 164 . 1 1 18 18 LYS HB2 H 1 2.286 0.030 . 2 . . . . 18 LYS HB2 . 10123 1 165 . 1 1 18 18 LYS HB3 H 1 1.106 0.030 . 2 . . . . 18 LYS HB3 . 10123 1 166 . 1 1 18 18 LYS HG2 H 1 1.156 0.030 . 2 . . . . 18 LYS HG2 . 10123 1 167 . 1 1 18 18 LYS HG3 H 1 1.052 0.030 . 2 . . . . 18 LYS HG3 . 10123 1 168 . 1 1 18 18 LYS HD2 H 1 -0.098 0.030 . 2 . . . . 18 LYS HD2 . 10123 1 169 . 1 1 18 18 LYS HD3 H 1 1.411 0.030 . 2 . . . . 18 LYS HD3 . 10123 1 170 . 1 1 18 18 LYS HE2 H 1 2.680 0.030 . 2 . . . . 18 LYS HE2 . 10123 1 171 . 1 1 18 18 LYS HE3 H 1 2.979 0.030 . 2 . . . . 18 LYS HE3 . 10123 1 172 . 1 1 18 18 LYS C C 13 172.832 0.300 . 1 . . . . 18 LYS C . 10123 1 173 . 1 1 18 18 LYS CA C 13 54.166 0.300 . 1 . . . . 18 LYS CA . 10123 1 174 . 1 1 18 18 LYS CB C 13 35.049 0.300 . 1 . . . . 18 LYS CB . 10123 1 175 . 1 1 18 18 LYS CG C 13 24.404 0.300 . 1 . . . . 18 LYS CG . 10123 1 176 . 1 1 18 18 LYS CD C 13 27.754 0.300 . 1 . . . . 18 LYS CD . 10123 1 177 . 1 1 18 18 LYS CE C 13 43.248 0.300 . 1 . . . . 18 LYS CE . 10123 1 178 . 1 1 18 18 LYS N N 15 128.439 0.300 . 1 . . . . 18 LYS N . 10123 1 179 . 1 1 19 19 MET H H 1 8.641 0.030 . 1 . . . . 19 MET H . 10123 1 180 . 1 1 19 19 MET HA H 1 4.661 0.030 . 1 . . . . 19 MET HA . 10123 1 181 . 1 1 19 19 MET HB2 H 1 1.899 0.030 . 2 . . . . 19 MET HB2 . 10123 1 182 . 1 1 19 19 MET HB3 H 1 1.729 0.030 . 2 . . . . 19 MET HB3 . 10123 1 183 . 1 1 19 19 MET HG2 H 1 2.167 0.030 . 2 . . . . 19 MET HG2 . 10123 1 184 . 1 1 19 19 MET HG3 H 1 2.265 0.030 . 2 . . . . 19 MET HG3 . 10123 1 185 . 1 1 19 19 MET HE1 H 1 1.265 0.030 . 1 . . . . 19 MET HE . 10123 1 186 . 1 1 19 19 MET HE2 H 1 1.265 0.030 . 1 . . . . 19 MET HE . 10123 1 187 . 1 1 19 19 MET HE3 H 1 1.265 0.030 . 1 . . . . 19 MET HE . 10123 1 188 . 1 1 19 19 MET C C 13 175.866 0.300 . 1 . . . . 19 MET C . 10123 1 189 . 1 1 19 19 MET CA C 13 53.534 0.300 . 1 . . . . 19 MET CA . 10123 1 190 . 1 1 19 19 MET CB C 13 35.770 0.300 . 1 . . . . 19 MET CB . 10123 1 191 . 1 1 19 19 MET CG C 13 31.839 0.300 . 1 . . . . 19 MET CG . 10123 1 192 . 1 1 19 19 MET CE C 13 15.971 0.300 . 1 . . . . 19 MET CE . 10123 1 193 . 1 1 19 19 MET N N 15 125.728 0.300 . 1 . . . . 19 MET N . 10123 1 194 . 1 1 20 20 LYS H H 1 8.613 0.030 . 1 . . . . 20 LYS H . 10123 1 195 . 1 1 20 20 LYS HA H 1 4.056 0.030 . 1 . . . . 20 LYS HA . 10123 1 196 . 1 1 20 20 LYS HB2 H 1 1.768 0.030 . 2 . . . . 20 LYS HB2 . 10123 1 197 . 1 1 20 20 LYS HB3 H 1 1.827 0.030 . 2 . . . . 20 LYS HB3 . 10123 1 198 . 1 1 20 20 LYS HG2 H 1 1.386 0.030 . 2 . . . . 20 LYS HG2 . 10123 1 199 . 1 1 20 20 LYS HG3 H 1 1.525 0.030 . 2 . . . . 20 LYS HG3 . 10123 1 200 . 1 1 20 20 LYS HD2 H 1 1.698 0.030 . 2 . . . . 20 LYS HD2 . 10123 1 201 . 1 1 20 20 LYS HD3 H 1 1.725 0.030 . 2 . . . . 20 LYS HD3 . 10123 1 202 . 1 1 20 20 LYS HE2 H 1 3.016 0.030 . 1 . . . . 20 LYS HE2 . 10123 1 203 . 1 1 20 20 LYS HE3 H 1 3.016 0.030 . 1 . . . . 20 LYS HE3 . 10123 1 204 . 1 1 20 20 LYS C C 13 177.809 0.300 . 1 . . . . 20 LYS C . 10123 1 205 . 1 1 20 20 LYS CA C 13 58.523 0.300 . 1 . . . . 20 LYS CA . 10123 1 206 . 1 1 20 20 LYS CB C 13 31.960 0.300 . 1 . . . . 20 LYS CB . 10123 1 207 . 1 1 20 20 LYS CG C 13 24.697 0.300 . 1 . . . . 20 LYS CG . 10123 1 208 . 1 1 20 20 LYS CD C 13 29.052 0.300 . 1 . . . . 20 LYS CD . 10123 1 209 . 1 1 20 20 LYS CE C 13 42.090 0.300 . 1 . . . . 20 LYS CE . 10123 1 210 . 1 1 20 20 LYS N N 15 124.016 0.300 . 1 . . . . 20 LYS N . 10123 1 211 . 1 1 21 21 GLY H H 1 8.989 0.030 . 1 . . . . 21 GLY H . 10123 1 212 . 1 1 21 21 GLY HA2 H 1 4.075 0.030 . 2 . . . . 21 GLY HA2 . 10123 1 213 . 1 1 21 21 GLY HA3 H 1 3.639 0.030 . 2 . . . . 21 GLY HA3 . 10123 1 214 . 1 1 21 21 GLY C C 13 173.769 0.300 . 1 . . . . 21 GLY C . 10123 1 215 . 1 1 21 21 GLY CA C 13 45.195 0.300 . 1 . . . . 21 GLY CA . 10123 1 216 . 1 1 21 21 GLY N N 15 113.388 0.300 . 1 . . . . 21 GLY N . 10123 1 217 . 1 1 22 22 TYR H H 1 8.049 0.030 . 1 . . . . 22 TYR H . 10123 1 218 . 1 1 22 22 TYR HA H 1 4.936 0.030 . 1 . . . . 22 TYR HA . 10123 1 219 . 1 1 22 22 TYR HB2 H 1 3.191 0.030 . 2 . . . . 22 TYR HB2 . 10123 1 220 . 1 1 22 22 TYR HB3 H 1 2.904 0.030 . 2 . . . . 22 TYR HB3 . 10123 1 221 . 1 1 22 22 TYR HD1 H 1 6.953 0.030 . 1 . . . . 22 TYR HD1 . 10123 1 222 . 1 1 22 22 TYR HD2 H 1 6.953 0.030 . 1 . . . . 22 TYR HD2 . 10123 1 223 . 1 1 22 22 TYR HE1 H 1 6.618 0.030 . 1 . . . . 22 TYR HE1 . 10123 1 224 . 1 1 22 22 TYR HE2 H 1 6.618 0.030 . 1 . . . . 22 TYR HE2 . 10123 1 225 . 1 1 22 22 TYR C C 13 172.886 0.300 . 1 . . . . 22 TYR C . 10123 1 226 . 1 1 22 22 TYR CA C 13 55.830 0.300 . 1 . . . . 22 TYR CA . 10123 1 227 . 1 1 22 22 TYR CB C 13 40.796 0.300 . 1 . . . . 22 TYR CB . 10123 1 228 . 1 1 22 22 TYR CD1 C 13 132.866 0.300 . 1 . . . . 22 TYR CD1 . 10123 1 229 . 1 1 22 22 TYR CD2 C 13 132.866 0.300 . 1 . . . . 22 TYR CD2 . 10123 1 230 . 1 1 22 22 TYR CE1 C 13 118.174 0.300 . 1 . . . . 22 TYR CE1 . 10123 1 231 . 1 1 22 22 TYR CE2 C 13 118.174 0.300 . 1 . . . . 22 TYR CE2 . 10123 1 232 . 1 1 22 22 TYR N N 15 120.041 0.300 . 1 . . . . 22 TYR N . 10123 1 233 . 1 1 23 23 PRO HA H 1 4.691 0.030 . 1 . . . . 23 PRO HA . 10123 1 234 . 1 1 23 23 PRO HB2 H 1 2.299 0.030 . 2 . . . . 23 PRO HB2 . 10123 1 235 . 1 1 23 23 PRO HB3 H 1 1.958 0.030 . 2 . . . . 23 PRO HB3 . 10123 1 236 . 1 1 23 23 PRO HG2 H 1 1.882 0.030 . 2 . . . . 23 PRO HG2 . 10123 1 237 . 1 1 23 23 PRO HG3 H 1 2.153 0.030 . 2 . . . . 23 PRO HG3 . 10123 1 238 . 1 1 23 23 PRO HD2 H 1 3.907 0.030 . 2 . . . . 23 PRO HD2 . 10123 1 239 . 1 1 23 23 PRO HD3 H 1 4.029 0.030 . 2 . . . . 23 PRO HD3 . 10123 1 240 . 1 1 23 23 PRO C C 13 176.852 0.300 . 1 . . . . 23 PRO C . 10123 1 241 . 1 1 23 23 PRO CA C 13 62.040 0.300 . 1 . . . . 23 PRO CA . 10123 1 242 . 1 1 23 23 PRO CB C 13 31.786 0.300 . 1 . . . . 23 PRO CB . 10123 1 243 . 1 1 23 23 PRO CG C 13 27.045 0.300 . 1 . . . . 23 PRO CG . 10123 1 244 . 1 1 23 23 PRO CD C 13 49.844 0.300 . 1 . . . . 23 PRO CD . 10123 1 245 . 1 1 24 24 HIS H H 1 8.005 0.030 . 1 . . . . 24 HIS H . 10123 1 246 . 1 1 24 24 HIS HA H 1 3.831 0.030 . 1 . . . . 24 HIS HA . 10123 1 247 . 1 1 24 24 HIS HB2 H 1 2.194 0.030 . 2 . . . . 24 HIS HB2 . 10123 1 248 . 1 1 24 24 HIS HB3 H 1 1.956 0.030 . 2 . . . . 24 HIS HB3 . 10123 1 249 . 1 1 24 24 HIS HD2 H 1 5.625 0.030 . 1 . . . . 24 HIS HD2 . 10123 1 250 . 1 1 24 24 HIS HE1 H 1 7.515 0.030 . 1 . . . . 24 HIS HE1 . 10123 1 251 . 1 1 24 24 HIS C C 13 175.932 0.300 . 1 . . . . 24 HIS C . 10123 1 252 . 1 1 24 24 HIS CA C 13 60.569 0.300 . 1 . . . . 24 HIS CA . 10123 1 253 . 1 1 24 24 HIS CB C 13 30.381 0.300 . 1 . . . . 24 HIS CB . 10123 1 254 . 1 1 24 24 HIS CD2 C 13 117.286 0.300 . 1 . . . . 24 HIS CD2 . 10123 1 255 . 1 1 24 24 HIS CE1 C 13 138.238 0.300 . 1 . . . . 24 HIS CE1 . 10123 1 256 . 1 1 24 24 HIS N N 15 118.961 0.300 . 1 . . . . 24 HIS N . 10123 1 257 . 1 1 25 25 TRP H H 1 9.052 0.030 . 1 . . . . 25 TRP H . 10123 1 258 . 1 1 25 25 TRP HA H 1 5.418 0.030 . 1 . . . . 25 TRP HA . 10123 1 259 . 1 1 25 25 TRP HB2 H 1 3.700 0.030 . 2 . . . . 25 TRP HB2 . 10123 1 260 . 1 1 25 25 TRP HB3 H 1 3.935 0.030 . 2 . . . . 25 TRP HB3 . 10123 1 261 . 1 1 25 25 TRP HD1 H 1 8.519 0.030 . 1 . . . . 25 TRP HD1 . 10123 1 262 . 1 1 25 25 TRP HE1 H 1 10.643 0.030 . 1 . . . . 25 TRP HE1 . 10123 1 263 . 1 1 25 25 TRP HE3 H 1 8.122 0.030 . 1 . . . . 25 TRP HE3 . 10123 1 264 . 1 1 25 25 TRP HZ2 H 1 7.375 0.030 . 1 . . . . 25 TRP HZ2 . 10123 1 265 . 1 1 25 25 TRP HH2 H 1 7.394 0.030 . 1 . . . . 25 TRP HH2 . 10123 1 266 . 1 1 25 25 TRP C C 13 175.042 0.300 . 1 . . . . 25 TRP C . 10123 1 267 . 1 1 25 25 TRP CA C 13 56.146 0.300 . 1 . . . . 25 TRP CA . 10123 1 268 . 1 1 25 25 TRP CB C 13 33.040 0.300 . 1 . . . . 25 TRP CB . 10123 1 269 . 1 1 25 25 TRP CD1 C 13 129.170 0.300 . 1 . . . . 25 TRP CD1 . 10123 1 270 . 1 1 25 25 TRP CE3 C 13 120.739 0.300 . 1 . . . . 25 TRP CE3 . 10123 1 271 . 1 1 25 25 TRP CZ2 C 13 115.228 0.300 . 1 . . . . 25 TRP CZ2 . 10123 1 272 . 1 1 25 25 TRP CZ3 C 13 120.720 0.300 . 1 . . . . 25 TRP CZ3 . 10123 1 273 . 1 1 25 25 TRP CH2 C 13 124.759 0.300 . 1 . . . . 25 TRP CH2 . 10123 1 274 . 1 1 25 25 TRP N N 15 127.563 0.300 . 1 . . . . 25 TRP N . 10123 1 275 . 1 1 25 25 TRP NE1 N 15 129.598 0.300 . 1 . . . . 25 TRP NE1 . 10123 1 276 . 1 1 26 26 PRO HA H 1 4.188 0.030 . 1 . . . . 26 PRO HA . 10123 1 277 . 1 1 26 26 PRO HB2 H 1 1.908 0.030 . 2 . . . . 26 PRO HB2 . 10123 1 278 . 1 1 26 26 PRO HB3 H 1 1.674 0.030 . 2 . . . . 26 PRO HB3 . 10123 1 279 . 1 1 26 26 PRO HG2 H 1 1.253 0.030 . 2 . . . . 26 PRO HG2 . 10123 1 280 . 1 1 26 26 PRO HG3 H 1 1.817 0.030 . 2 . . . . 26 PRO HG3 . 10123 1 281 . 1 1 26 26 PRO HD2 H 1 2.963 0.030 . 2 . . . . 26 PRO HD2 . 10123 1 282 . 1 1 26 26 PRO HD3 H 1 2.725 0.030 . 2 . . . . 26 PRO HD3 . 10123 1 283 . 1 1 26 26 PRO C C 13 175.407 0.300 . 1 . . . . 26 PRO C . 10123 1 284 . 1 1 26 26 PRO CA C 13 63.027 0.300 . 1 . . . . 26 PRO CA . 10123 1 285 . 1 1 26 26 PRO CB C 13 32.670 0.300 . 1 . . . . 26 PRO CB . 10123 1 286 . 1 1 26 26 PRO CG C 13 27.065 0.300 . 1 . . . . 26 PRO CG . 10123 1 287 . 1 1 26 26 PRO CD C 13 51.235 0.300 . 1 . . . . 26 PRO CD . 10123 1 288 . 1 1 27 27 ALA H H 1 9.489 0.030 . 1 . . . . 27 ALA H . 10123 1 289 . 1 1 27 27 ALA HA H 1 5.006 0.030 . 1 . . . . 27 ALA HA . 10123 1 290 . 1 1 27 27 ALA HB1 H 1 0.882 0.030 . 1 . . . . 27 ALA HB . 10123 1 291 . 1 1 27 27 ALA HB2 H 1 0.882 0.030 . 1 . . . . 27 ALA HB . 10123 1 292 . 1 1 27 27 ALA HB3 H 1 0.882 0.030 . 1 . . . . 27 ALA HB . 10123 1 293 . 1 1 27 27 ALA C C 13 174.362 0.300 . 1 . . . . 27 ALA C . 10123 1 294 . 1 1 27 27 ALA CA C 13 52.381 0.300 . 1 . . . . 27 ALA CA . 10123 1 295 . 1 1 27 27 ALA CB C 13 23.679 0.300 . 1 . . . . 27 ALA CB . 10123 1 296 . 1 1 27 27 ALA N N 15 129.809 0.300 . 1 . . . . 27 ALA N . 10123 1 297 . 1 1 28 28 ARG H H 1 8.648 0.030 . 1 . . . . 28 ARG H . 10123 1 298 . 1 1 28 28 ARG HA H 1 5.477 0.030 . 1 . . . . 28 ARG HA . 10123 1 299 . 1 1 28 28 ARG HB2 H 1 1.504 0.030 . 2 . . . . 28 ARG HB2 . 10123 1 300 . 1 1 28 28 ARG HB3 H 1 1.653 0.030 . 2 . . . . 28 ARG HB3 . 10123 1 301 . 1 1 28 28 ARG HG2 H 1 1.255 0.030 . 2 . . . . 28 ARG HG2 . 10123 1 302 . 1 1 28 28 ARG HG3 H 1 1.306 0.030 . 2 . . . . 28 ARG HG3 . 10123 1 303 . 1 1 28 28 ARG HD2 H 1 3.068 0.030 . 1 . . . . 28 ARG HD2 . 10123 1 304 . 1 1 28 28 ARG HD3 H 1 3.068 0.030 . 1 . . . . 28 ARG HD3 . 10123 1 305 . 1 1 28 28 ARG HE H 1 6.931 0.030 . 1 . . . . 28 ARG HE . 10123 1 306 . 1 1 28 28 ARG C C 13 174.940 0.300 . 1 . . . . 28 ARG C . 10123 1 307 . 1 1 28 28 ARG CA C 13 53.383 0.300 . 1 . . . . 28 ARG CA . 10123 1 308 . 1 1 28 28 ARG CB C 13 34.730 0.300 . 1 . . . . 28 ARG CB . 10123 1 309 . 1 1 28 28 ARG CG C 13 26.910 0.300 . 1 . . . . 28 ARG CG . 10123 1 310 . 1 1 28 28 ARG CD C 13 43.753 0.300 . 1 . . . . 28 ARG CD . 10123 1 311 . 1 1 28 28 ARG N N 15 115.409 0.300 . 1 . . . . 28 ARG N . 10123 1 312 . 1 1 28 28 ARG NE N 15 84.650 0.300 . 1 . . . . 28 ARG NE . 10123 1 313 . 1 1 29 29 ILE H H 1 8.377 0.030 . 1 . . . . 29 ILE H . 10123 1 314 . 1 1 29 29 ILE HA H 1 4.306 0.030 . 1 . . . . 29 ILE HA . 10123 1 315 . 1 1 29 29 ILE HB H 1 2.229 0.030 . 1 . . . . 29 ILE HB . 10123 1 316 . 1 1 29 29 ILE HG12 H 1 1.194 0.030 . 2 . . . . 29 ILE HG12 . 10123 1 317 . 1 1 29 29 ILE HG13 H 1 1.336 0.030 . 2 . . . . 29 ILE HG13 . 10123 1 318 . 1 1 29 29 ILE HG21 H 1 0.878 0.030 . 1 . . . . 29 ILE HG2 . 10123 1 319 . 1 1 29 29 ILE HG22 H 1 0.878 0.030 . 1 . . . . 29 ILE HG2 . 10123 1 320 . 1 1 29 29 ILE HG23 H 1 0.878 0.030 . 1 . . . . 29 ILE HG2 . 10123 1 321 . 1 1 29 29 ILE HD11 H 1 0.111 0.030 . 1 . . . . 29 ILE HD1 . 10123 1 322 . 1 1 29 29 ILE HD12 H 1 0.111 0.030 . 1 . . . . 29 ILE HD1 . 10123 1 323 . 1 1 29 29 ILE HD13 H 1 0.111 0.030 . 1 . . . . 29 ILE HD1 . 10123 1 324 . 1 1 29 29 ILE C C 13 176.374 0.300 . 1 . . . . 29 ILE C . 10123 1 325 . 1 1 29 29 ILE CA C 13 59.570 0.300 . 1 . . . . 29 ILE CA . 10123 1 326 . 1 1 29 29 ILE CB C 13 34.775 0.300 . 1 . . . . 29 ILE CB . 10123 1 327 . 1 1 29 29 ILE CG1 C 13 27.038 0.300 . 1 . . . . 29 ILE CG1 . 10123 1 328 . 1 1 29 29 ILE CG2 C 13 17.080 0.300 . 1 . . . . 29 ILE CG2 . 10123 1 329 . 1 1 29 29 ILE CD1 C 13 10.552 0.300 . 1 . . . . 29 ILE CD1 . 10123 1 330 . 1 1 29 29 ILE N N 15 122.021 0.300 . 1 . . . . 29 ILE N . 10123 1 331 . 1 1 30 30 ASP H H 1 8.906 0.030 . 1 . . . . 30 ASP H . 10123 1 332 . 1 1 30 30 ASP HA H 1 4.887 0.030 . 1 . . . . 30 ASP HA . 10123 1 333 . 1 1 30 30 ASP HB2 H 1 2.583 0.030 . 2 . . . . 30 ASP HB2 . 10123 1 334 . 1 1 30 30 ASP HB3 H 1 2.176 0.030 . 2 . . . . 30 ASP HB3 . 10123 1 335 . 1 1 30 30 ASP C C 13 174.970 0.300 . 1 . . . . 30 ASP C . 10123 1 336 . 1 1 30 30 ASP CA C 13 52.864 0.300 . 1 . . . . 30 ASP CA . 10123 1 337 . 1 1 30 30 ASP CB C 13 43.656 0.300 . 1 . . . . 30 ASP CB . 10123 1 338 . 1 1 30 30 ASP N N 15 133.763 0.300 . 1 . . . . 30 ASP N . 10123 1 339 . 1 1 31 31 GLU H H 1 7.996 0.030 . 1 . . . . 31 GLU H . 10123 1 340 . 1 1 31 31 GLU HA H 1 4.337 0.030 . 1 . . . . 31 GLU HA . 10123 1 341 . 1 1 31 31 GLU HB2 H 1 1.946 0.030 . 2 . . . . 31 GLU HB2 . 10123 1 342 . 1 1 31 31 GLU HB3 H 1 1.765 0.030 . 2 . . . . 31 GLU HB3 . 10123 1 343 . 1 1 31 31 GLU HG2 H 1 2.171 0.030 . 1 . . . . 31 GLU HG2 . 10123 1 344 . 1 1 31 31 GLU HG3 H 1 2.171 0.030 . 1 . . . . 31 GLU HG3 . 10123 1 345 . 1 1 31 31 GLU C C 13 175.883 0.300 . 1 . . . . 31 GLU C . 10123 1 346 . 1 1 31 31 GLU CA C 13 55.363 0.300 . 1 . . . . 31 GLU CA . 10123 1 347 . 1 1 31 31 GLU CB C 13 31.457 0.300 . 1 . . . . 31 GLU CB . 10123 1 348 . 1 1 31 31 GLU CG C 13 36.143 0.300 . 1 . . . . 31 GLU CG . 10123 1 349 . 1 1 31 31 GLU N N 15 117.516 0.300 . 1 . . . . 31 GLU N . 10123 1 350 . 1 1 32 32 LEU H H 1 8.644 0.030 . 1 . . . . 32 LEU H . 10123 1 351 . 1 1 32 32 LEU HA H 1 4.597 0.030 . 1 . . . . 32 LEU HA . 10123 1 352 . 1 1 32 32 LEU HB2 H 1 1.549 0.030 . 2 . . . . 32 LEU HB2 . 10123 1 353 . 1 1 32 32 LEU HB3 H 1 1.664 0.030 . 2 . . . . 32 LEU HB3 . 10123 1 354 . 1 1 32 32 LEU HG H 1 1.727 0.030 . 1 . . . . 32 LEU HG . 10123 1 355 . 1 1 32 32 LEU HD11 H 1 1.066 0.030 . 1 . . . . 32 LEU HD1 . 10123 1 356 . 1 1 32 32 LEU HD12 H 1 1.066 0.030 . 1 . . . . 32 LEU HD1 . 10123 1 357 . 1 1 32 32 LEU HD13 H 1 1.066 0.030 . 1 . . . . 32 LEU HD1 . 10123 1 358 . 1 1 32 32 LEU HD21 H 1 0.990 0.030 . 1 . . . . 32 LEU HD2 . 10123 1 359 . 1 1 32 32 LEU HD22 H 1 0.990 0.030 . 1 . . . . 32 LEU HD2 . 10123 1 360 . 1 1 32 32 LEU HD23 H 1 0.990 0.030 . 1 . . . . 32 LEU HD2 . 10123 1 361 . 1 1 32 32 LEU CA C 13 52.691 0.300 . 1 . . . . 32 LEU CA . 10123 1 362 . 1 1 32 32 LEU CB C 13 42.150 0.300 . 1 . . . . 32 LEU CB . 10123 1 363 . 1 1 32 32 LEU CG C 13 27.050 0.300 . 1 . . . . 32 LEU CG . 10123 1 364 . 1 1 32 32 LEU CD1 C 13 25.744 0.300 . 2 . . . . 32 LEU CD1 . 10123 1 365 . 1 1 32 32 LEU CD2 C 13 24.109 0.300 . 2 . . . . 32 LEU CD2 . 10123 1 366 . 1 1 32 32 LEU N N 15 125.194 0.300 . 1 . . . . 32 LEU N . 10123 1 367 . 1 1 33 33 PRO HA H 1 4.498 0.030 . 1 . . . . 33 PRO HA . 10123 1 368 . 1 1 33 33 PRO HB2 H 1 2.335 0.030 . 2 . . . . 33 PRO HB2 . 10123 1 369 . 1 1 33 33 PRO HB3 H 1 1.939 0.030 . 2 . . . . 33 PRO HB3 . 10123 1 370 . 1 1 33 33 PRO HG2 H 1 2.034 0.030 . 1 . . . . 33 PRO HG2 . 10123 1 371 . 1 1 33 33 PRO HG3 H 1 2.034 0.030 . 1 . . . . 33 PRO HG3 . 10123 1 372 . 1 1 33 33 PRO HD2 H 1 3.881 0.030 . 2 . . . . 33 PRO HD2 . 10123 1 373 . 1 1 33 33 PRO HD3 H 1 3.570 0.030 . 2 . . . . 33 PRO HD3 . 10123 1 374 . 1 1 33 33 PRO C C 13 176.722 0.300 . 1 . . . . 33 PRO C . 10123 1 375 . 1 1 33 33 PRO CA C 13 62.366 0.300 . 1 . . . . 33 PRO CA . 10123 1 376 . 1 1 33 33 PRO CB C 13 32.422 0.300 . 1 . . . . 33 PRO CB . 10123 1 377 . 1 1 33 33 PRO CG C 13 27.244 0.300 . 1 . . . . 33 PRO CG . 10123 1 378 . 1 1 33 33 PRO CD C 13 50.663 0.300 . 1 . . . . 33 PRO CD . 10123 1 379 . 1 1 34 34 GLU H H 1 8.610 0.030 . 1 . . . . 34 GLU H . 10123 1 380 . 1 1 34 34 GLU HA H 1 4.104 0.030 . 1 . . . . 34 GLU HA . 10123 1 381 . 1 1 34 34 GLU HB2 H 1 1.989 0.030 . 1 . . . . 34 GLU HB2 . 10123 1 382 . 1 1 34 34 GLU HB3 H 1 1.989 0.030 . 1 . . . . 34 GLU HB3 . 10123 1 383 . 1 1 34 34 GLU HG2 H 1 2.302 0.030 . 1 . . . . 34 GLU HG2 . 10123 1 384 . 1 1 34 34 GLU HG3 H 1 2.302 0.030 . 1 . . . . 34 GLU HG3 . 10123 1 385 . 1 1 34 34 GLU C C 13 177.744 0.300 . 1 . . . . 34 GLU C . 10123 1 386 . 1 1 34 34 GLU CA C 13 57.993 0.300 . 1 . . . . 34 GLU CA . 10123 1 387 . 1 1 34 34 GLU CB C 13 29.556 0.300 . 1 . . . . 34 GLU CB . 10123 1 388 . 1 1 34 34 GLU CG C 13 36.082 0.300 . 1 . . . . 34 GLU CG . 10123 1 389 . 1 1 34 34 GLU N N 15 122.061 0.300 . 1 . . . . 34 GLU N . 10123 1 390 . 1 1 35 35 GLY H H 1 8.732 0.030 . 1 . . . . 35 GLY H . 10123 1 391 . 1 1 35 35 GLY HA2 H 1 4.134 0.030 . 2 . . . . 35 GLY HA2 . 10123 1 392 . 1 1 35 35 GLY HA3 H 1 3.803 0.030 . 2 . . . . 35 GLY HA3 . 10123 1 393 . 1 1 35 35 GLY C C 13 174.185 0.300 . 1 . . . . 35 GLY C . 10123 1 394 . 1 1 35 35 GLY CA C 13 45.172 0.300 . 1 . . . . 35 GLY CA . 10123 1 395 . 1 1 35 35 GLY N N 15 112.446 0.300 . 1 . . . . 35 GLY N . 10123 1 396 . 1 1 36 36 ALA H H 1 7.648 0.030 . 1 . . . . 36 ALA H . 10123 1 397 . 1 1 36 36 ALA HA H 1 4.364 0.030 . 1 . . . . 36 ALA HA . 10123 1 398 . 1 1 36 36 ALA HB1 H 1 1.451 0.030 . 1 . . . . 36 ALA HB . 10123 1 399 . 1 1 36 36 ALA HB2 H 1 1.451 0.030 . 1 . . . . 36 ALA HB . 10123 1 400 . 1 1 36 36 ALA HB3 H 1 1.451 0.030 . 1 . . . . 36 ALA HB . 10123 1 401 . 1 1 36 36 ALA C C 13 177.736 0.300 . 1 . . . . 36 ALA C . 10123 1 402 . 1 1 36 36 ALA CA C 13 52.186 0.300 . 1 . . . . 36 ALA CA . 10123 1 403 . 1 1 36 36 ALA CB C 13 20.048 0.300 . 1 . . . . 36 ALA CB . 10123 1 404 . 1 1 36 36 ALA N N 15 122.763 0.300 . 1 . . . . 36 ALA N . 10123 1 405 . 1 1 37 37 VAL H H 1 8.147 0.030 . 1 . . . . 37 VAL H . 10123 1 406 . 1 1 37 37 VAL HA H 1 3.917 0.030 . 1 . . . . 37 VAL HA . 10123 1 407 . 1 1 37 37 VAL HB H 1 2.016 0.030 . 1 . . . . 37 VAL HB . 10123 1 408 . 1 1 37 37 VAL HG11 H 1 0.969 0.030 . 1 . . . . 37 VAL HG1 . 10123 1 409 . 1 1 37 37 VAL HG12 H 1 0.969 0.030 . 1 . . . . 37 VAL HG1 . 10123 1 410 . 1 1 37 37 VAL HG13 H 1 0.969 0.030 . 1 . . . . 37 VAL HG1 . 10123 1 411 . 1 1 37 37 VAL HG21 H 1 1.005 0.030 . 1 . . . . 37 VAL HG2 . 10123 1 412 . 1 1 37 37 VAL HG22 H 1 1.005 0.030 . 1 . . . . 37 VAL HG2 . 10123 1 413 . 1 1 37 37 VAL HG23 H 1 1.005 0.030 . 1 . . . . 37 VAL HG2 . 10123 1 414 . 1 1 37 37 VAL C C 13 175.591 0.300 . 1 . . . . 37 VAL C . 10123 1 415 . 1 1 37 37 VAL CA C 13 62.922 0.300 . 1 . . . . 37 VAL CA . 10123 1 416 . 1 1 37 37 VAL CB C 13 32.285 0.300 . 1 . . . . 37 VAL CB . 10123 1 417 . 1 1 37 37 VAL CG1 C 13 21.188 0.300 . 2 . . . . 37 VAL CG1 . 10123 1 418 . 1 1 37 37 VAL CG2 C 13 21.177 0.300 . 2 . . . . 37 VAL CG2 . 10123 1 419 . 1 1 37 37 VAL N N 15 120.624 0.300 . 1 . . . . 37 VAL N . 10123 1 420 . 1 1 38 38 LYS H H 1 8.231 0.030 . 1 . . . . 38 LYS H . 10123 1 421 . 1 1 38 38 LYS HA H 1 4.399 0.030 . 1 . . . . 38 LYS HA . 10123 1 422 . 1 1 38 38 LYS HB2 H 1 1.658 0.030 . 2 . . . . 38 LYS HB2 . 10123 1 423 . 1 1 38 38 LYS HB3 H 1 1.768 0.030 . 2 . . . . 38 LYS HB3 . 10123 1 424 . 1 1 38 38 LYS HG2 H 1 1.463 0.030 . 2 . . . . 38 LYS HG2 . 10123 1 425 . 1 1 38 38 LYS HG3 H 1 1.514 0.030 . 2 . . . . 38 LYS HG3 . 10123 1 426 . 1 1 38 38 LYS HE2 H 1 3.014 0.030 . 1 . . . . 38 LYS HE2 . 10123 1 427 . 1 1 38 38 LYS HE3 H 1 3.014 0.030 . 1 . . . . 38 LYS HE3 . 10123 1 428 . 1 1 38 38 LYS C C 13 174.119 0.300 . 1 . . . . 38 LYS C . 10123 1 429 . 1 1 38 38 LYS CA C 13 54.237 0.300 . 1 . . . . 38 LYS CA . 10123 1 430 . 1 1 38 38 LYS CB C 13 32.078 0.300 . 1 . . . . 38 LYS CB . 10123 1 431 . 1 1 38 38 LYS CG C 13 24.761 0.300 . 1 . . . . 38 LYS CG . 10123 1 432 . 1 1 38 38 LYS CE C 13 42.272 0.300 . 1 . . . . 38 LYS CE . 10123 1 433 . 1 1 38 38 LYS N N 15 125.587 0.300 . 1 . . . . 38 LYS N . 10123 1 434 . 1 1 39 39 PRO HA H 1 3.973 0.030 . 1 . . . . 39 PRO HA . 10123 1 435 . 1 1 39 39 PRO HB2 H 1 1.673 0.030 . 2 . . . . 39 PRO HB2 . 10123 1 436 . 1 1 39 39 PRO HB3 H 1 1.567 0.030 . 2 . . . . 39 PRO HB3 . 10123 1 437 . 1 1 39 39 PRO HG2 H 1 1.903 0.030 . 2 . . . . 39 PRO HG2 . 10123 1 438 . 1 1 39 39 PRO HG3 H 1 1.679 0.030 . 2 . . . . 39 PRO HG3 . 10123 1 439 . 1 1 39 39 PRO HD2 H 1 3.671 0.030 . 2 . . . . 39 PRO HD2 . 10123 1 440 . 1 1 39 39 PRO HD3 H 1 3.565 0.030 . 2 . . . . 39 PRO HD3 . 10123 1 441 . 1 1 39 39 PRO CA C 13 60.878 0.300 . 1 . . . . 39 PRO CA . 10123 1 442 . 1 1 39 39 PRO CB C 13 30.354 0.300 . 1 . . . . 39 PRO CB . 10123 1 443 . 1 1 39 39 PRO CG C 13 27.050 0.300 . 1 . . . . 39 PRO CG . 10123 1 444 . 1 1 39 39 PRO CD C 13 50.380 0.300 . 1 . . . . 39 PRO CD . 10123 1 445 . 1 1 40 40 PRO HA H 1 4.275 0.030 . 1 . . . . 40 PRO HA . 10123 1 446 . 1 1 40 40 PRO HB2 H 1 2.228 0.030 . 2 . . . . 40 PRO HB2 . 10123 1 447 . 1 1 40 40 PRO HB3 H 1 1.606 0.030 . 2 . . . . 40 PRO HB3 . 10123 1 448 . 1 1 40 40 PRO HG2 H 1 1.697 0.030 . 2 . . . . 40 PRO HG2 . 10123 1 449 . 1 1 40 40 PRO HG3 H 1 1.807 0.030 . 2 . . . . 40 PRO HG3 . 10123 1 450 . 1 1 40 40 PRO HD2 H 1 3.213 0.030 . 2 . . . . 40 PRO HD2 . 10123 1 451 . 1 1 40 40 PRO HD3 H 1 2.688 0.030 . 2 . . . . 40 PRO HD3 . 10123 1 452 . 1 1 40 40 PRO C C 13 175.483 0.300 . 1 . . . . 40 PRO C . 10123 1 453 . 1 1 40 40 PRO CA C 13 62.225 0.300 . 1 . . . . 40 PRO CA . 10123 1 454 . 1 1 40 40 PRO CB C 13 32.033 0.300 . 1 . . . . 40 PRO CB . 10123 1 455 . 1 1 40 40 PRO CG C 13 27.417 0.300 . 1 . . . . 40 PRO CG . 10123 1 456 . 1 1 40 40 PRO CD C 13 49.815 0.300 . 1 . . . . 40 PRO CD . 10123 1 457 . 1 1 41 41 ALA H H 1 8.162 0.030 . 1 . . . . 41 ALA H . 10123 1 458 . 1 1 41 41 ALA HA H 1 3.990 0.030 . 1 . . . . 41 ALA HA . 10123 1 459 . 1 1 41 41 ALA HB1 H 1 1.306 0.030 . 1 . . . . 41 ALA HB . 10123 1 460 . 1 1 41 41 ALA HB2 H 1 1.306 0.030 . 1 . . . . 41 ALA HB . 10123 1 461 . 1 1 41 41 ALA HB3 H 1 1.306 0.030 . 1 . . . . 41 ALA HB . 10123 1 462 . 1 1 41 41 ALA C C 13 177.784 0.300 . 1 . . . . 41 ALA C . 10123 1 463 . 1 1 41 41 ALA CA C 13 53.217 0.300 . 1 . . . . 41 ALA CA . 10123 1 464 . 1 1 41 41 ALA CB C 13 18.540 0.300 . 1 . . . . 41 ALA CB . 10123 1 465 . 1 1 41 41 ALA N N 15 121.772 0.300 . 1 . . . . 41 ALA N . 10123 1 466 . 1 1 42 42 ASN H H 1 8.547 0.030 . 1 . . . . 42 ASN H . 10123 1 467 . 1 1 42 42 ASN HA H 1 4.259 0.030 . 1 . . . . 42 ASN HA . 10123 1 468 . 1 1 42 42 ASN HB2 H 1 2.965 0.030 . 1 . . . . 42 ASN HB2 . 10123 1 469 . 1 1 42 42 ASN HB3 H 1 2.965 0.030 . 1 . . . . 42 ASN HB3 . 10123 1 470 . 1 1 42 42 ASN HD21 H 1 6.935 0.030 . 2 . . . . 42 ASN HD21 . 10123 1 471 . 1 1 42 42 ASN HD22 H 1 7.545 0.030 . 2 . . . . 42 ASN HD22 . 10123 1 472 . 1 1 42 42 ASN C C 13 173.940 0.300 . 1 . . . . 42 ASN C . 10123 1 473 . 1 1 42 42 ASN CA C 13 54.096 0.300 . 1 . . . . 42 ASN CA . 10123 1 474 . 1 1 42 42 ASN CB C 13 37.705 0.300 . 1 . . . . 42 ASN CB . 10123 1 475 . 1 1 42 42 ASN N N 15 113.499 0.300 . 1 . . . . 42 ASN N . 10123 1 476 . 1 1 42 42 ASN ND2 N 15 113.007 0.300 . 1 . . . . 42 ASN ND2 . 10123 1 477 . 1 1 43 43 LYS H H 1 7.351 0.030 . 1 . . . . 43 LYS H . 10123 1 478 . 1 1 43 43 LYS HA H 1 4.596 0.030 . 1 . . . . 43 LYS HA . 10123 1 479 . 1 1 43 43 LYS HB2 H 1 1.528 0.030 . 2 . . . . 43 LYS HB2 . 10123 1 480 . 1 1 43 43 LYS HB3 H 1 1.413 0.030 . 2 . . . . 43 LYS HB3 . 10123 1 481 . 1 1 43 43 LYS HG2 H 1 1.114 0.030 . 2 . . . . 43 LYS HG2 . 10123 1 482 . 1 1 43 43 LYS HG3 H 1 1.350 0.030 . 2 . . . . 43 LYS HG3 . 10123 1 483 . 1 1 43 43 LYS HD2 H 1 1.471 0.030 . 2 . . . . 43 LYS HD2 . 10123 1 484 . 1 1 43 43 LYS HD3 H 1 1.338 0.030 . 2 . . . . 43 LYS HD3 . 10123 1 485 . 1 1 43 43 LYS HE2 H 1 2.949 0.030 . 1 . . . . 43 LYS HE2 . 10123 1 486 . 1 1 43 43 LYS HE3 H 1 2.949 0.030 . 1 . . . . 43 LYS HE3 . 10123 1 487 . 1 1 43 43 LYS C C 13 174.431 0.300 . 1 . . . . 43 LYS C . 10123 1 488 . 1 1 43 43 LYS CA C 13 54.891 0.300 . 1 . . . . 43 LYS CA . 10123 1 489 . 1 1 43 43 LYS CB C 13 36.769 0.300 . 1 . . . . 43 LYS CB . 10123 1 490 . 1 1 43 43 LYS CG C 13 25.836 0.300 . 1 . . . . 43 LYS CG . 10123 1 491 . 1 1 43 43 LYS CD C 13 29.556 0.300 . 1 . . . . 43 LYS CD . 10123 1 492 . 1 1 43 43 LYS CE C 13 42.502 0.300 . 1 . . . . 43 LYS CE . 10123 1 493 . 1 1 43 43 LYS N N 15 114.787 0.300 . 1 . . . . 43 LYS N . 10123 1 494 . 1 1 44 44 TYR H H 1 9.021 0.030 . 1 . . . . 44 TYR H . 10123 1 495 . 1 1 44 44 TYR HA H 1 4.922 0.030 . 1 . . . . 44 TYR HA . 10123 1 496 . 1 1 44 44 TYR HB2 H 1 2.827 0.030 . 2 . . . . 44 TYR HB2 . 10123 1 497 . 1 1 44 44 TYR HB3 H 1 2.563 0.030 . 2 . . . . 44 TYR HB3 . 10123 1 498 . 1 1 44 44 TYR HD1 H 1 7.100 0.030 . 1 . . . . 44 TYR HD1 . 10123 1 499 . 1 1 44 44 TYR HD2 H 1 7.100 0.030 . 1 . . . . 44 TYR HD2 . 10123 1 500 . 1 1 44 44 TYR HE1 H 1 6.888 0.030 . 1 . . . . 44 TYR HE1 . 10123 1 501 . 1 1 44 44 TYR HE2 H 1 6.888 0.030 . 1 . . . . 44 TYR HE2 . 10123 1 502 . 1 1 44 44 TYR C C 13 173.227 0.300 . 1 . . . . 44 TYR C . 10123 1 503 . 1 1 44 44 TYR CA C 13 55.810 0.300 . 1 . . . . 44 TYR CA . 10123 1 504 . 1 1 44 44 TYR CB C 13 40.896 0.300 . 1 . . . . 44 TYR CB . 10123 1 505 . 1 1 44 44 TYR CD1 C 13 133.220 0.300 . 1 . . . . 44 TYR CD1 . 10123 1 506 . 1 1 44 44 TYR CD2 C 13 133.220 0.300 . 1 . . . . 44 TYR CD2 . 10123 1 507 . 1 1 44 44 TYR CE1 C 13 118.545 0.300 . 1 . . . . 44 TYR CE1 . 10123 1 508 . 1 1 44 44 TYR CE2 C 13 118.545 0.300 . 1 . . . . 44 TYR CE2 . 10123 1 509 . 1 1 44 44 TYR N N 15 118.370 0.300 . 1 . . . . 44 TYR N . 10123 1 510 . 1 1 45 45 PRO HA H 1 4.574 0.030 . 1 . . . . 45 PRO HA . 10123 1 511 . 1 1 45 45 PRO HB2 H 1 2.003 0.030 . 2 . . . . 45 PRO HB2 . 10123 1 512 . 1 1 45 45 PRO HB3 H 1 2.084 0.030 . 2 . . . . 45 PRO HB3 . 10123 1 513 . 1 1 45 45 PRO HG2 H 1 1.948 0.030 . 2 . . . . 45 PRO HG2 . 10123 1 514 . 1 1 45 45 PRO HG3 H 1 2.502 0.030 . 2 . . . . 45 PRO HG3 . 10123 1 515 . 1 1 45 45 PRO HD2 H 1 3.985 0.030 . 1 . . . . 45 PRO HD2 . 10123 1 516 . 1 1 45 45 PRO HD3 H 1 3.985 0.030 . 1 . . . . 45 PRO HD3 . 10123 1 517 . 1 1 45 45 PRO C C 13 174.921 0.300 . 1 . . . . 45 PRO C . 10123 1 518 . 1 1 45 45 PRO CA C 13 62.191 0.300 . 1 . . . . 45 PRO CA . 10123 1 519 . 1 1 45 45 PRO CB C 13 30.942 0.300 . 1 . . . . 45 PRO CB . 10123 1 520 . 1 1 45 45 PRO CG C 13 27.305 0.300 . 1 . . . . 45 PRO CG . 10123 1 521 . 1 1 45 45 PRO CD C 13 50.544 0.300 . 1 . . . . 45 PRO CD . 10123 1 522 . 1 1 46 46 ILE H H 1 9.023 0.030 . 1 . . . . 46 ILE H . 10123 1 523 . 1 1 46 46 ILE HA H 1 4.568 0.030 . 1 . . . . 46 ILE HA . 10123 1 524 . 1 1 46 46 ILE HB H 1 1.632 0.030 . 1 . . . . 46 ILE HB . 10123 1 525 . 1 1 46 46 ILE HG12 H 1 0.833 0.030 . 2 . . . . 46 ILE HG12 . 10123 1 526 . 1 1 46 46 ILE HG13 H 1 1.818 0.030 . 2 . . . . 46 ILE HG13 . 10123 1 527 . 1 1 46 46 ILE HG21 H 1 -0.168 0.030 . 1 . . . . 46 ILE HG2 . 10123 1 528 . 1 1 46 46 ILE HG22 H 1 -0.168 0.030 . 1 . . . . 46 ILE HG2 . 10123 1 529 . 1 1 46 46 ILE HG23 H 1 -0.168 0.030 . 1 . . . . 46 ILE HG2 . 10123 1 530 . 1 1 46 46 ILE HD11 H 1 0.399 0.030 . 1 . . . . 46 ILE HD1 . 10123 1 531 . 1 1 46 46 ILE HD12 H 1 0.399 0.030 . 1 . . . . 46 ILE HD1 . 10123 1 532 . 1 1 46 46 ILE HD13 H 1 0.399 0.030 . 1 . . . . 46 ILE HD1 . 10123 1 533 . 1 1 46 46 ILE C C 13 174.957 0.300 . 1 . . . . 46 ILE C . 10123 1 534 . 1 1 46 46 ILE CA C 13 57.208 0.300 . 1 . . . . 46 ILE CA . 10123 1 535 . 1 1 46 46 ILE CB C 13 37.771 0.300 . 1 . . . . 46 ILE CB . 10123 1 536 . 1 1 46 46 ILE CG1 C 13 27.298 0.300 . 1 . . . . 46 ILE CG1 . 10123 1 537 . 1 1 46 46 ILE CG2 C 13 18.884 0.300 . 1 . . . . 46 ILE CG2 . 10123 1 538 . 1 1 46 46 ILE CD1 C 13 12.018 0.300 . 1 . . . . 46 ILE CD1 . 10123 1 539 . 1 1 46 46 ILE N N 15 126.020 0.300 . 1 . . . . 46 ILE N . 10123 1 540 . 1 1 47 47 PHE H H 1 8.622 0.030 . 1 . . . . 47 PHE H . 10123 1 541 . 1 1 47 47 PHE HA H 1 4.800 0.030 . 1 . . . . 47 PHE HA . 10123 1 542 . 1 1 47 47 PHE HB2 H 1 2.757 0.030 . 2 . . . . 47 PHE HB2 . 10123 1 543 . 1 1 47 47 PHE HB3 H 1 2.436 0.030 . 2 . . . . 47 PHE HB3 . 10123 1 544 . 1 1 47 47 PHE HD1 H 1 6.436 0.030 . 1 . . . . 47 PHE HD1 . 10123 1 545 . 1 1 47 47 PHE HD2 H 1 6.436 0.030 . 1 . . . . 47 PHE HD2 . 10123 1 546 . 1 1 47 47 PHE HE1 H 1 7.005 0.030 . 1 . . . . 47 PHE HE1 . 10123 1 547 . 1 1 47 47 PHE HE2 H 1 7.005 0.030 . 1 . . . . 47 PHE HE2 . 10123 1 548 . 1 1 47 47 PHE HZ H 1 6.829 0.030 . 1 . . . . 47 PHE HZ . 10123 1 549 . 1 1 47 47 PHE C C 13 173.585 0.300 . 1 . . . . 47 PHE C . 10123 1 550 . 1 1 47 47 PHE CA C 13 56.063 0.300 . 1 . . . . 47 PHE CA . 10123 1 551 . 1 1 47 47 PHE CB C 13 41.123 0.300 . 1 . . . . 47 PHE CB . 10123 1 552 . 1 1 47 47 PHE CD1 C 13 132.021 0.300 . 1 . . . . 47 PHE CD1 . 10123 1 553 . 1 1 47 47 PHE CD2 C 13 132.021 0.300 . 1 . . . . 47 PHE CD2 . 10123 1 554 . 1 1 47 47 PHE CE1 C 13 130.667 0.300 . 1 . . . . 47 PHE CE1 . 10123 1 555 . 1 1 47 47 PHE CE2 C 13 130.667 0.300 . 1 . . . . 47 PHE CE2 . 10123 1 556 . 1 1 47 47 PHE CZ C 13 128.579 0.300 . 1 . . . . 47 PHE CZ . 10123 1 557 . 1 1 47 47 PHE N N 15 128.115 0.300 . 1 . . . . 47 PHE N . 10123 1 558 . 1 1 48 48 PHE H H 1 8.438 0.030 . 1 . . . . 48 PHE H . 10123 1 559 . 1 1 48 48 PHE HA H 1 4.251 0.030 . 1 . . . . 48 PHE HA . 10123 1 560 . 1 1 48 48 PHE HB2 H 1 2.493 0.030 . 2 . . . . 48 PHE HB2 . 10123 1 561 . 1 1 48 48 PHE HB3 H 1 2.383 0.030 . 2 . . . . 48 PHE HB3 . 10123 1 562 . 1 1 48 48 PHE HD1 H 1 6.827 0.030 . 1 . . . . 48 PHE HD1 . 10123 1 563 . 1 1 48 48 PHE HD2 H 1 6.827 0.030 . 1 . . . . 48 PHE HD2 . 10123 1 564 . 1 1 48 48 PHE HE1 H 1 6.880 0.030 . 1 . . . . 48 PHE HE1 . 10123 1 565 . 1 1 48 48 PHE HE2 H 1 6.880 0.030 . 1 . . . . 48 PHE HE2 . 10123 1 566 . 1 1 48 48 PHE HZ H 1 6.763 0.030 . 1 . . . . 48 PHE HZ . 10123 1 567 . 1 1 48 48 PHE C C 13 175.906 0.300 . 1 . . . . 48 PHE C . 10123 1 568 . 1 1 48 48 PHE CA C 13 57.579 0.300 . 1 . . . . 48 PHE CA . 10123 1 569 . 1 1 48 48 PHE CB C 13 38.951 0.300 . 1 . . . . 48 PHE CB . 10123 1 570 . 1 1 48 48 PHE CD1 C 13 131.576 0.300 . 1 . . . . 48 PHE CD1 . 10123 1 571 . 1 1 48 48 PHE CD2 C 13 131.576 0.300 . 1 . . . . 48 PHE CD2 . 10123 1 572 . 1 1 48 48 PHE CE1 C 13 130.329 0.300 . 1 . . . . 48 PHE CE1 . 10123 1 573 . 1 1 48 48 PHE CE2 C 13 130.329 0.300 . 1 . . . . 48 PHE CE2 . 10123 1 574 . 1 1 48 48 PHE CZ C 13 128.477 0.300 . 1 . . . . 48 PHE CZ . 10123 1 575 . 1 1 48 48 PHE N N 15 125.442 0.300 . 1 . . . . 48 PHE N . 10123 1 576 . 1 1 49 49 PHE H H 1 8.735 0.030 . 1 . . . . 49 PHE H . 10123 1 577 . 1 1 49 49 PHE HA H 1 4.461 0.030 . 1 . . . . 49 PHE HA . 10123 1 578 . 1 1 49 49 PHE HB2 H 1 3.788 0.030 . 2 . . . . 49 PHE HB2 . 10123 1 579 . 1 1 49 49 PHE HB3 H 1 2.571 0.030 . 2 . . . . 49 PHE HB3 . 10123 1 580 . 1 1 49 49 PHE HD1 H 1 7.450 0.030 . 1 . . . . 49 PHE HD1 . 10123 1 581 . 1 1 49 49 PHE HD2 H 1 7.450 0.030 . 1 . . . . 49 PHE HD2 . 10123 1 582 . 1 1 49 49 PHE HE1 H 1 7.257 0.030 . 1 . . . . 49 PHE HE1 . 10123 1 583 . 1 1 49 49 PHE HE2 H 1 7.257 0.030 . 1 . . . . 49 PHE HE2 . 10123 1 584 . 1 1 49 49 PHE HZ H 1 7.186 0.030 . 1 . . . . 49 PHE HZ . 10123 1 585 . 1 1 49 49 PHE C C 13 177.565 0.300 . 1 . . . . 49 PHE C . 10123 1 586 . 1 1 49 49 PHE CA C 13 60.158 0.300 . 1 . . . . 49 PHE CA . 10123 1 587 . 1 1 49 49 PHE CB C 13 39.819 0.300 . 1 . . . . 49 PHE CB . 10123 1 588 . 1 1 49 49 PHE CD1 C 13 131.249 0.300 . 1 . . . . 49 PHE CD1 . 10123 1 589 . 1 1 49 49 PHE CD2 C 13 131.249 0.300 . 1 . . . . 49 PHE CD2 . 10123 1 590 . 1 1 49 49 PHE CE1 C 13 131.288 0.300 . 1 . . . . 49 PHE CE1 . 10123 1 591 . 1 1 49 49 PHE CE2 C 13 131.288 0.300 . 1 . . . . 49 PHE CE2 . 10123 1 592 . 1 1 49 49 PHE CZ C 13 129.335 0.300 . 1 . . . . 49 PHE CZ . 10123 1 593 . 1 1 49 49 PHE N N 15 122.734 0.300 . 1 . . . . 49 PHE N . 10123 1 594 . 1 1 50 50 GLY H H 1 9.906 0.030 . 1 . . . . 50 GLY H . 10123 1 595 . 1 1 50 50 GLY HA2 H 1 5.192 0.030 . 2 . . . . 50 GLY HA2 . 10123 1 596 . 1 1 50 50 GLY HA3 H 1 3.178 0.030 . 2 . . . . 50 GLY HA3 . 10123 1 597 . 1 1 50 50 GLY C C 13 175.509 0.300 . 1 . . . . 50 GLY C . 10123 1 598 . 1 1 50 50 GLY CA C 13 47.124 0.300 . 1 . . . . 50 GLY CA . 10123 1 599 . 1 1 50 50 GLY N N 15 113.843 0.300 . 1 . . . . 50 GLY N . 10123 1 600 . 1 1 51 51 THR H H 1 7.814 0.030 . 1 . . . . 51 THR H . 10123 1 601 . 1 1 51 51 THR HA H 1 4.006 0.030 . 1 . . . . 51 THR HA . 10123 1 602 . 1 1 51 51 THR HB H 1 3.983 0.030 . 1 . . . . 51 THR HB . 10123 1 603 . 1 1 51 51 THR HG21 H 1 1.170 0.030 . 1 . . . . 51 THR HG2 . 10123 1 604 . 1 1 51 51 THR HG22 H 1 1.170 0.030 . 1 . . . . 51 THR HG2 . 10123 1 605 . 1 1 51 51 THR HG23 H 1 1.170 0.030 . 1 . . . . 51 THR HG2 . 10123 1 606 . 1 1 51 51 THR C C 13 175.925 0.300 . 1 . . . . 51 THR C . 10123 1 607 . 1 1 51 51 THR CA C 13 61.984 0.300 . 1 . . . . 51 THR CA . 10123 1 608 . 1 1 51 51 THR CB C 13 68.440 0.300 . 1 . . . . 51 THR CB . 10123 1 609 . 1 1 51 51 THR CG2 C 13 23.544 0.300 . 1 . . . . 51 THR CG2 . 10123 1 610 . 1 1 51 51 THR N N 15 111.015 0.300 . 1 . . . . 51 THR N . 10123 1 611 . 1 1 52 52 HIS H H 1 7.740 0.030 . 1 . . . . 52 HIS H . 10123 1 612 . 1 1 52 52 HIS HA H 1 3.816 0.030 . 1 . . . . 52 HIS HA . 10123 1 613 . 1 1 52 52 HIS HB2 H 1 3.640 0.030 . 2 . . . . 52 HIS HB2 . 10123 1 614 . 1 1 52 52 HIS HB3 H 1 3.455 0.030 . 2 . . . . 52 HIS HB3 . 10123 1 615 . 1 1 52 52 HIS HD2 H 1 7.169 0.030 . 1 . . . . 52 HIS HD2 . 10123 1 616 . 1 1 52 52 HIS HE1 H 1 8.642 0.030 . 1 . . . . 52 HIS HE1 . 10123 1 617 . 1 1 52 52 HIS C C 13 173.769 0.300 . 1 . . . . 52 HIS C . 10123 1 618 . 1 1 52 52 HIS CA C 13 54.796 0.300 . 1 . . . . 52 HIS CA . 10123 1 619 . 1 1 52 52 HIS CB C 13 25.887 0.300 . 1 . . . . 52 HIS CB . 10123 1 620 . 1 1 52 52 HIS CD2 C 13 117.726 0.300 . 1 . . . . 52 HIS CD2 . 10123 1 621 . 1 1 52 52 HIS CE1 C 13 135.871 0.300 . 1 . . . . 52 HIS CE1 . 10123 1 622 . 1 1 52 52 HIS N N 15 115.616 0.300 . 1 . . . . 52 HIS N . 10123 1 623 . 1 1 53 53 GLU H H 1 6.741 0.030 . 1 . . . . 53 GLU H . 10123 1 624 . 1 1 53 53 GLU HA H 1 4.380 0.030 . 1 . . . . 53 GLU HA . 10123 1 625 . 1 1 53 53 GLU HB2 H 1 1.813 0.030 . 2 . . . . 53 GLU HB2 . 10123 1 626 . 1 1 53 53 GLU HB3 H 1 1.362 0.030 . 2 . . . . 53 GLU HB3 . 10123 1 627 . 1 1 53 53 GLU HG2 H 1 1.981 0.030 . 1 . . . . 53 GLU HG2 . 10123 1 628 . 1 1 53 53 GLU HG3 H 1 1.981 0.030 . 1 . . . . 53 GLU HG3 . 10123 1 629 . 1 1 53 53 GLU C C 13 174.398 0.300 . 1 . . . . 53 GLU C . 10123 1 630 . 1 1 53 53 GLU CA C 13 55.475 0.300 . 1 . . . . 53 GLU CA . 10123 1 631 . 1 1 53 53 GLU CB C 13 31.535 0.300 . 1 . . . . 53 GLU CB . 10123 1 632 . 1 1 53 53 GLU CG C 13 36.407 0.300 . 1 . . . . 53 GLU CG . 10123 1 633 . 1 1 53 53 GLU N N 15 117.448 0.300 . 1 . . . . 53 GLU N . 10123 1 634 . 1 1 54 54 THR H H 1 8.104 0.030 . 1 . . . . 54 THR H . 10123 1 635 . 1 1 54 54 THR HA H 1 5.655 0.030 . 1 . . . . 54 THR HA . 10123 1 636 . 1 1 54 54 THR HB H 1 4.178 0.030 . 1 . . . . 54 THR HB . 10123 1 637 . 1 1 54 54 THR HG21 H 1 1.194 0.030 . 1 . . . . 54 THR HG2 . 10123 1 638 . 1 1 54 54 THR HG22 H 1 1.194 0.030 . 1 . . . . 54 THR HG2 . 10123 1 639 . 1 1 54 54 THR HG23 H 1 1.194 0.030 . 1 . . . . 54 THR HG2 . 10123 1 640 . 1 1 54 54 THR C C 13 174.398 0.300 . 1 . . . . 54 THR C . 10123 1 641 . 1 1 54 54 THR CA C 13 59.483 0.300 . 1 . . . . 54 THR CA . 10123 1 642 . 1 1 54 54 THR CB C 13 72.358 0.300 . 1 . . . . 54 THR CB . 10123 1 643 . 1 1 54 54 THR CG2 C 13 21.812 0.300 . 1 . . . . 54 THR CG2 . 10123 1 644 . 1 1 54 54 THR N N 15 109.184 0.300 . 1 . . . . 54 THR N . 10123 1 645 . 1 1 55 55 ALA H H 1 8.432 0.030 . 1 . . . . 55 ALA H . 10123 1 646 . 1 1 55 55 ALA HA H 1 4.435 0.030 . 1 . . . . 55 ALA HA . 10123 1 647 . 1 1 55 55 ALA HB1 H 1 1.365 0.030 . 1 . . . . 55 ALA HB . 10123 1 648 . 1 1 55 55 ALA HB2 H 1 1.365 0.030 . 1 . . . . 55 ALA HB . 10123 1 649 . 1 1 55 55 ALA HB3 H 1 1.365 0.030 . 1 . . . . 55 ALA HB . 10123 1 650 . 1 1 55 55 ALA C C 13 174.934 0.300 . 1 . . . . 55 ALA C . 10123 1 651 . 1 1 55 55 ALA CA C 13 51.443 0.300 . 1 . . . . 55 ALA CA . 10123 1 652 . 1 1 55 55 ALA CB C 13 23.342 0.300 . 1 . . . . 55 ALA CB . 10123 1 653 . 1 1 55 55 ALA N N 15 121.857 0.300 . 1 . . . . 55 ALA N . 10123 1 654 . 1 1 56 56 PHE H H 1 8.509 0.030 . 1 . . . . 56 PHE H . 10123 1 655 . 1 1 56 56 PHE HA H 1 5.798 0.030 . 1 . . . . 56 PHE HA . 10123 1 656 . 1 1 56 56 PHE HB2 H 1 2.989 0.030 . 2 . . . . 56 PHE HB2 . 10123 1 657 . 1 1 56 56 PHE HB3 H 1 2.634 0.030 . 2 . . . . 56 PHE HB3 . 10123 1 658 . 1 1 56 56 PHE HD1 H 1 7.107 0.030 . 1 . . . . 56 PHE HD1 . 10123 1 659 . 1 1 56 56 PHE HD2 H 1 7.107 0.030 . 1 . . . . 56 PHE HD2 . 10123 1 660 . 1 1 56 56 PHE HE1 H 1 7.238 0.030 . 1 . . . . 56 PHE HE1 . 10123 1 661 . 1 1 56 56 PHE HE2 H 1 7.238 0.030 . 1 . . . . 56 PHE HE2 . 10123 1 662 . 1 1 56 56 PHE C C 13 175.624 0.300 . 1 . . . . 56 PHE C . 10123 1 663 . 1 1 56 56 PHE CA C 13 56.062 0.300 . 1 . . . . 56 PHE CA . 10123 1 664 . 1 1 56 56 PHE CB C 13 40.637 0.300 . 1 . . . . 56 PHE CB . 10123 1 665 . 1 1 56 56 PHE CD1 C 13 131.392 0.300 . 1 . . . . 56 PHE CD1 . 10123 1 666 . 1 1 56 56 PHE CD2 C 13 131.392 0.300 . 1 . . . . 56 PHE CD2 . 10123 1 667 . 1 1 56 56 PHE CE1 C 13 129.999 0.300 . 1 . . . . 56 PHE CE1 . 10123 1 668 . 1 1 56 56 PHE CE2 C 13 129.999 0.300 . 1 . . . . 56 PHE CE2 . 10123 1 669 . 1 1 56 56 PHE N N 15 117.833 0.300 . 1 . . . . 56 PHE N . 10123 1 670 . 1 1 57 57 LEU H H 1 8.598 0.030 . 1 . . . . 57 LEU H . 10123 1 671 . 1 1 57 57 LEU HA H 1 5.035 0.030 . 1 . . . . 57 LEU HA . 10123 1 672 . 1 1 57 57 LEU HB2 H 1 1.527 0.030 . 2 . . . . 57 LEU HB2 . 10123 1 673 . 1 1 57 57 LEU HB3 H 1 1.817 0.030 . 2 . . . . 57 LEU HB3 . 10123 1 674 . 1 1 57 57 LEU HG H 1 1.557 0.030 . 1 . . . . 57 LEU HG . 10123 1 675 . 1 1 57 57 LEU HD11 H 1 0.882 0.030 . 1 . . . . 57 LEU HD1 . 10123 1 676 . 1 1 57 57 LEU HD12 H 1 0.882 0.030 . 1 . . . . 57 LEU HD1 . 10123 1 677 . 1 1 57 57 LEU HD13 H 1 0.882 0.030 . 1 . . . . 57 LEU HD1 . 10123 1 678 . 1 1 57 57 LEU HD21 H 1 1.147 0.030 . 1 . . . . 57 LEU HD2 . 10123 1 679 . 1 1 57 57 LEU HD22 H 1 1.147 0.030 . 1 . . . . 57 LEU HD2 . 10123 1 680 . 1 1 57 57 LEU HD23 H 1 1.147 0.030 . 1 . . . . 57 LEU HD2 . 10123 1 681 . 1 1 57 57 LEU C C 13 176.176 0.300 . 1 . . . . 57 LEU C . 10123 1 682 . 1 1 57 57 LEU CA C 13 53.694 0.300 . 1 . . . . 57 LEU CA . 10123 1 683 . 1 1 57 57 LEU CB C 13 47.430 0.300 . 1 . . . . 57 LEU CB . 10123 1 684 . 1 1 57 57 LEU CG C 13 27.812 0.300 . 1 . . . . 57 LEU CG . 10123 1 685 . 1 1 57 57 LEU CD1 C 13 26.732 0.300 . 2 . . . . 57 LEU CD1 . 10123 1 686 . 1 1 57 57 LEU CD2 C 13 24.022 0.300 . 2 . . . . 57 LEU CD2 . 10123 1 687 . 1 1 57 57 LEU N N 15 122.214 0.300 . 1 . . . . 57 LEU N . 10123 1 688 . 1 1 58 58 GLY H H 1 9.511 0.030 . 1 . . . . 58 GLY H . 10123 1 689 . 1 1 58 58 GLY HA2 H 1 4.075 0.030 . 2 . . . . 58 GLY HA2 . 10123 1 690 . 1 1 58 58 GLY HA3 H 1 4.961 0.030 . 2 . . . . 58 GLY HA3 . 10123 1 691 . 1 1 58 58 GLY C C 13 172.632 0.300 . 1 . . . . 58 GLY C . 10123 1 692 . 1 1 58 58 GLY CA C 13 44.153 0.300 . 1 . . . . 58 GLY CA . 10123 1 693 . 1 1 58 58 GLY N N 15 108.980 0.300 . 1 . . . . 58 GLY N . 10123 1 694 . 1 1 59 59 PRO HA H 1 4.189 0.030 . 1 . . . . 59 PRO HA . 10123 1 695 . 1 1 59 59 PRO HB2 H 1 2.294 0.030 . 2 . . . . 59 PRO HB2 . 10123 1 696 . 1 1 59 59 PRO HB3 H 1 2.595 0.030 . 2 . . . . 59 PRO HB3 . 10123 1 697 . 1 1 59 59 PRO HG2 H 1 2.291 0.030 . 2 . . . . 59 PRO HG2 . 10123 1 698 . 1 1 59 59 PRO HG3 H 1 2.371 0.030 . 2 . . . . 59 PRO HG3 . 10123 1 699 . 1 1 59 59 PRO HD2 H 1 4.033 0.030 . 2 . . . . 59 PRO HD2 . 10123 1 700 . 1 1 59 59 PRO HD3 H 1 3.797 0.030 . 2 . . . . 59 PRO HD3 . 10123 1 701 . 1 1 59 59 PRO C C 13 178.393 0.300 . 1 . . . . 59 PRO C . 10123 1 702 . 1 1 59 59 PRO CA C 13 65.214 0.300 . 1 . . . . 59 PRO CA . 10123 1 703 . 1 1 59 59 PRO CB C 13 32.279 0.300 . 1 . . . . 59 PRO CB . 10123 1 704 . 1 1 59 59 PRO CG C 13 27.973 0.300 . 1 . . . . 59 PRO CG . 10123 1 705 . 1 1 59 59 PRO CD C 13 50.265 0.300 . 1 . . . . 59 PRO CD . 10123 1 706 . 1 1 60 60 LYS H H 1 8.602 0.030 . 1 . . . . 60 LYS H . 10123 1 707 . 1 1 60 60 LYS HA H 1 4.186 0.030 . 1 . . . . 60 LYS HA . 10123 1 708 . 1 1 60 60 LYS HB2 H 1 1.877 0.030 . 1 . . . . 60 LYS HB2 . 10123 1 709 . 1 1 60 60 LYS HB3 H 1 1.877 0.030 . 1 . . . . 60 LYS HB3 . 10123 1 710 . 1 1 60 60 LYS HG2 H 1 1.457 0.030 . 1 . . . . 60 LYS HG2 . 10123 1 711 . 1 1 60 60 LYS HG3 H 1 1.457 0.030 . 1 . . . . 60 LYS HG3 . 10123 1 712 . 1 1 60 60 LYS HD2 H 1 1.727 0.030 . 1 . . . . 60 LYS HD2 . 10123 1 713 . 1 1 60 60 LYS HD3 H 1 1.727 0.030 . 1 . . . . 60 LYS HD3 . 10123 1 714 . 1 1 60 60 LYS HE2 H 1 3.078 0.030 . 1 . . . . 60 LYS HE2 . 10123 1 715 . 1 1 60 60 LYS HE3 H 1 3.078 0.030 . 1 . . . . 60 LYS HE3 . 10123 1 716 . 1 1 60 60 LYS C C 13 176.732 0.300 . 1 . . . . 60 LYS C . 10123 1 717 . 1 1 60 60 LYS CA C 13 58.316 0.300 . 1 . . . . 60 LYS CA . 10123 1 718 . 1 1 60 60 LYS CB C 13 31.502 0.300 . 1 . . . . 60 LYS CB . 10123 1 719 . 1 1 60 60 LYS CG C 13 24.615 0.300 . 1 . . . . 60 LYS CG . 10123 1 720 . 1 1 60 60 LYS CD C 13 29.169 0.300 . 1 . . . . 60 LYS CD . 10123 1 721 . 1 1 60 60 LYS CE C 13 42.157 0.300 . 1 . . . . 60 LYS CE . 10123 1 722 . 1 1 60 60 LYS N N 15 117.407 0.300 . 1 . . . . 60 LYS N . 10123 1 723 . 1 1 61 61 ASP H H 1 7.748 0.030 . 1 . . . . 61 ASP H . 10123 1 724 . 1 1 61 61 ASP HA H 1 5.037 0.030 . 1 . . . . 61 ASP HA . 10123 1 725 . 1 1 61 61 ASP HB2 H 1 3.755 0.030 . 2 . . . . 61 ASP HB2 . 10123 1 726 . 1 1 61 61 ASP HB3 H 1 2.623 0.030 . 2 . . . . 61 ASP HB3 . 10123 1 727 . 1 1 61 61 ASP C C 13 173.203 0.300 . 1 . . . . 61 ASP C . 10123 1 728 . 1 1 61 61 ASP CA C 13 54.307 0.300 . 1 . . . . 61 ASP CA . 10123 1 729 . 1 1 61 61 ASP CB C 13 43.711 0.300 . 1 . . . . 61 ASP CB . 10123 1 730 . 1 1 61 61 ASP N N 15 118.021 0.300 . 1 . . . . 61 ASP N . 10123 1 731 . 1 1 62 62 LEU H H 1 6.957 0.030 . 1 . . . . 62 LEU H . 10123 1 732 . 1 1 62 62 LEU HA H 1 5.171 0.030 . 1 . . . . 62 LEU HA . 10123 1 733 . 1 1 62 62 LEU HB2 H 1 0.569 0.030 . 2 . . . . 62 LEU HB2 . 10123 1 734 . 1 1 62 62 LEU HB3 H 1 1.449 0.030 . 2 . . . . 62 LEU HB3 . 10123 1 735 . 1 1 62 62 LEU HG H 1 1.641 0.030 . 1 . . . . 62 LEU HG . 10123 1 736 . 1 1 62 62 LEU HD11 H 1 0.096 0.030 . 1 . . . . 62 LEU HD1 . 10123 1 737 . 1 1 62 62 LEU HD12 H 1 0.096 0.030 . 1 . . . . 62 LEU HD1 . 10123 1 738 . 1 1 62 62 LEU HD13 H 1 0.096 0.030 . 1 . . . . 62 LEU HD1 . 10123 1 739 . 1 1 62 62 LEU HD21 H 1 0.551 0.030 . 1 . . . . 62 LEU HD2 . 10123 1 740 . 1 1 62 62 LEU HD22 H 1 0.551 0.030 . 1 . . . . 62 LEU HD2 . 10123 1 741 . 1 1 62 62 LEU HD23 H 1 0.551 0.030 . 1 . . . . 62 LEU HD2 . 10123 1 742 . 1 1 62 62 LEU C C 13 175.154 0.300 . 1 . . . . 62 LEU C . 10123 1 743 . 1 1 62 62 LEU CA C 13 53.486 0.300 . 1 . . . . 62 LEU CA . 10123 1 744 . 1 1 62 62 LEU CB C 13 45.643 0.300 . 1 . . . . 62 LEU CB . 10123 1 745 . 1 1 62 62 LEU CG C 13 25.346 0.300 . 1 . . . . 62 LEU CG . 10123 1 746 . 1 1 62 62 LEU CD1 C 13 25.860 0.300 . 2 . . . . 62 LEU CD1 . 10123 1 747 . 1 1 62 62 LEU CD2 C 13 23.838 0.300 . 2 . . . . 62 LEU CD2 . 10123 1 748 . 1 1 62 62 LEU N N 15 118.250 0.300 . 1 . . . . 62 LEU N . 10123 1 749 . 1 1 63 63 PHE H H 1 8.523 0.030 . 1 . . . . 63 PHE H . 10123 1 750 . 1 1 63 63 PHE HA H 1 4.896 0.030 . 1 . . . . 63 PHE HA . 10123 1 751 . 1 1 63 63 PHE HB2 H 1 2.528 0.030 . 2 . . . . 63 PHE HB2 . 10123 1 752 . 1 1 63 63 PHE HB3 H 1 2.770 0.030 . 2 . . . . 63 PHE HB3 . 10123 1 753 . 1 1 63 63 PHE HD1 H 1 6.717 0.030 . 1 . . . . 63 PHE HD1 . 10123 1 754 . 1 1 63 63 PHE HD2 H 1 6.717 0.030 . 1 . . . . 63 PHE HD2 . 10123 1 755 . 1 1 63 63 PHE HE1 H 1 7.229 0.030 . 1 . . . . 63 PHE HE1 . 10123 1 756 . 1 1 63 63 PHE HE2 H 1 7.229 0.030 . 1 . . . . 63 PHE HE2 . 10123 1 757 . 1 1 63 63 PHE HZ H 1 7.438 0.030 . 1 . . . . 63 PHE HZ . 10123 1 758 . 1 1 63 63 PHE C C 13 173.616 0.300 . 1 . . . . 63 PHE C . 10123 1 759 . 1 1 63 63 PHE CA C 13 54.559 0.300 . 1 . . . . 63 PHE CA . 10123 1 760 . 1 1 63 63 PHE CB C 13 41.406 0.300 . 1 . . . . 63 PHE CB . 10123 1 761 . 1 1 63 63 PHE CD1 C 13 132.141 0.300 . 1 . . . . 63 PHE CD1 . 10123 1 762 . 1 1 63 63 PHE CD2 C 13 132.141 0.300 . 1 . . . . 63 PHE CD2 . 10123 1 763 . 1 1 63 63 PHE CE1 C 13 130.949 0.300 . 1 . . . . 63 PHE CE1 . 10123 1 764 . 1 1 63 63 PHE CE2 C 13 130.949 0.300 . 1 . . . . 63 PHE CE2 . 10123 1 765 . 1 1 63 63 PHE CZ C 13 131.227 0.300 . 1 . . . . 63 PHE CZ . 10123 1 766 . 1 1 63 63 PHE N N 15 117.771 0.300 . 1 . . . . 63 PHE N . 10123 1 767 . 1 1 64 64 PRO HA H 1 4.694 0.030 . 1 . . . . 64 PRO HA . 10123 1 768 . 1 1 64 64 PRO HB2 H 1 2.497 0.030 . 2 . . . . 64 PRO HB2 . 10123 1 769 . 1 1 64 64 PRO HB3 H 1 2.763 0.030 . 2 . . . . 64 PRO HB3 . 10123 1 770 . 1 1 64 64 PRO HG2 H 1 2.381 0.030 . 2 . . . . 64 PRO HG2 . 10123 1 771 . 1 1 64 64 PRO HG3 H 1 2.544 0.030 . 2 . . . . 64 PRO HG3 . 10123 1 772 . 1 1 64 64 PRO HD2 H 1 4.313 0.030 . 2 . . . . 64 PRO HD2 . 10123 1 773 . 1 1 64 64 PRO HD3 H 1 4.070 0.030 . 2 . . . . 64 PRO HD3 . 10123 1 774 . 1 1 64 64 PRO C C 13 177.180 0.300 . 1 . . . . 64 PRO C . 10123 1 775 . 1 1 64 64 PRO CA C 13 64.814 0.300 . 1 . . . . 64 PRO CA . 10123 1 776 . 1 1 64 64 PRO CB C 13 32.915 0.300 . 1 . . . . 64 PRO CB . 10123 1 777 . 1 1 64 64 PRO CG C 13 28.570 0.300 . 1 . . . . 64 PRO CG . 10123 1 778 . 1 1 64 64 PRO CD C 13 51.226 0.300 . 1 . . . . 64 PRO CD . 10123 1 779 . 1 1 65 65 TYR H H 1 8.263 0.030 . 1 . . . . 65 TYR H . 10123 1 780 . 1 1 65 65 TYR HA H 1 4.350 0.030 . 1 . . . . 65 TYR HA . 10123 1 781 . 1 1 65 65 TYR HB2 H 1 2.618 0.030 . 2 . . . . 65 TYR HB2 . 10123 1 782 . 1 1 65 65 TYR HB3 H 1 2.733 0.030 . 2 . . . . 65 TYR HB3 . 10123 1 783 . 1 1 65 65 TYR HD1 H 1 6.570 0.030 . 1 . . . . 65 TYR HD1 . 10123 1 784 . 1 1 65 65 TYR HD2 H 1 6.570 0.030 . 1 . . . . 65 TYR HD2 . 10123 1 785 . 1 1 65 65 TYR HE1 H 1 6.564 0.030 . 1 . . . . 65 TYR HE1 . 10123 1 786 . 1 1 65 65 TYR HE2 H 1 6.564 0.030 . 1 . . . . 65 TYR HE2 . 10123 1 787 . 1 1 65 65 TYR C C 13 176.785 0.300 . 1 . . . . 65 TYR C . 10123 1 788 . 1 1 65 65 TYR CA C 13 61.873 0.300 . 1 . . . . 65 TYR CA . 10123 1 789 . 1 1 65 65 TYR CB C 13 39.853 0.300 . 1 . . . . 65 TYR CB . 10123 1 790 . 1 1 65 65 TYR CD1 C 13 133.744 0.300 . 1 . . . . 65 TYR CD1 . 10123 1 791 . 1 1 65 65 TYR CD2 C 13 133.744 0.300 . 1 . . . . 65 TYR CD2 . 10123 1 792 . 1 1 65 65 TYR CE1 C 13 117.375 0.300 . 1 . . . . 65 TYR CE1 . 10123 1 793 . 1 1 65 65 TYR CE2 C 13 117.375 0.300 . 1 . . . . 65 TYR CE2 . 10123 1 794 . 1 1 65 65 TYR N N 15 124.320 0.300 . 1 . . . . 65 TYR N . 10123 1 795 . 1 1 66 66 LYS H H 1 9.039 0.030 . 1 . . . . 66 LYS H . 10123 1 796 . 1 1 66 66 LYS HA H 1 3.530 0.030 . 1 . . . . 66 LYS HA . 10123 1 797 . 1 1 66 66 LYS HB2 H 1 1.857 0.030 . 2 . . . . 66 LYS HB2 . 10123 1 798 . 1 1 66 66 LYS HB3 H 1 1.947 0.030 . 2 . . . . 66 LYS HB3 . 10123 1 799 . 1 1 66 66 LYS HG2 H 1 1.452 0.030 . 2 . . . . 66 LYS HG2 . 10123 1 800 . 1 1 66 66 LYS HG3 H 1 1.637 0.030 . 2 . . . . 66 LYS HG3 . 10123 1 801 . 1 1 66 66 LYS HD2 H 1 1.763 0.030 . 1 . . . . 66 LYS HD2 . 10123 1 802 . 1 1 66 66 LYS HD3 H 1 1.763 0.030 . 1 . . . . 66 LYS HD3 . 10123 1 803 . 1 1 66 66 LYS HE2 H 1 3.070 0.030 . 1 . . . . 66 LYS HE2 . 10123 1 804 . 1 1 66 66 LYS HE3 H 1 3.070 0.030 . 1 . . . . 66 LYS HE3 . 10123 1 805 . 1 1 66 66 LYS C C 13 179.261 0.300 . 1 . . . . 66 LYS C . 10123 1 806 . 1 1 66 66 LYS CA C 13 60.165 0.300 . 1 . . . . 66 LYS CA . 10123 1 807 . 1 1 66 66 LYS CB C 13 31.701 0.300 . 1 . . . . 66 LYS CB . 10123 1 808 . 1 1 66 66 LYS CG C 13 25.465 0.300 . 1 . . . . 66 LYS CG . 10123 1 809 . 1 1 66 66 LYS CD C 13 29.355 0.300 . 1 . . . . 66 LYS CD . 10123 1 810 . 1 1 66 66 LYS CE C 13 41.951 0.300 . 1 . . . . 66 LYS CE . 10123 1 811 . 1 1 66 66 LYS N N 15 116.706 0.300 . 1 . . . . 66 LYS N . 10123 1 812 . 1 1 67 67 GLU H H 1 7.841 0.030 . 1 . . . . 67 GLU H . 10123 1 813 . 1 1 67 67 GLU HA H 1 4.012 0.030 . 1 . . . . 67 GLU HA . 10123 1 814 . 1 1 67 67 GLU HB2 H 1 2.125 0.030 . 2 . . . . 67 GLU HB2 . 10123 1 815 . 1 1 67 67 GLU HB3 H 1 1.924 0.030 . 2 . . . . 67 GLU HB3 . 10123 1 816 . 1 1 67 67 GLU HG2 H 1 2.145 0.030 . 1 . . . . 67 GLU HG2 . 10123 1 817 . 1 1 67 67 GLU HG3 H 1 2.145 0.030 . 1 . . . . 67 GLU HG3 . 10123 1 818 . 1 1 67 67 GLU C C 13 177.292 0.300 . 1 . . . . 67 GLU C . 10123 1 819 . 1 1 67 67 GLU CA C 13 58.477 0.300 . 1 . . . . 67 GLU CA . 10123 1 820 . 1 1 67 67 GLU CB C 13 30.518 0.300 . 1 . . . . 67 GLU CB . 10123 1 821 . 1 1 67 67 GLU CG C 13 36.654 0.300 . 1 . . . . 67 GLU CG . 10123 1 822 . 1 1 67 67 GLU N N 15 116.340 0.300 . 1 . . . . 67 GLU N . 10123 1 823 . 1 1 68 68 TYR H H 1 7.553 0.030 . 1 . . . . 68 TYR H . 10123 1 824 . 1 1 68 68 TYR HA H 1 4.354 0.030 . 1 . . . . 68 TYR HA . 10123 1 825 . 1 1 68 68 TYR HB2 H 1 3.057 0.030 . 2 . . . . 68 TYR HB2 . 10123 1 826 . 1 1 68 68 TYR HB3 H 1 2.792 0.030 . 2 . . . . 68 TYR HB3 . 10123 1 827 . 1 1 68 68 TYR HD1 H 1 7.063 0.030 . 1 . . . . 68 TYR HD1 . 10123 1 828 . 1 1 68 68 TYR HD2 H 1 7.063 0.030 . 1 . . . . 68 TYR HD2 . 10123 1 829 . 1 1 68 68 TYR HE1 H 1 6.933 0.030 . 1 . . . . 68 TYR HE1 . 10123 1 830 . 1 1 68 68 TYR HE2 H 1 6.933 0.030 . 1 . . . . 68 TYR HE2 . 10123 1 831 . 1 1 68 68 TYR C C 13 175.876 0.300 . 1 . . . . 68 TYR C . 10123 1 832 . 1 1 68 68 TYR CA C 13 59.421 0.300 . 1 . . . . 68 TYR CA . 10123 1 833 . 1 1 68 68 TYR CB C 13 39.180 0.300 . 1 . . . . 68 TYR CB . 10123 1 834 . 1 1 68 68 TYR CD1 C 13 133.859 0.300 . 1 . . . . 68 TYR CD1 . 10123 1 835 . 1 1 68 68 TYR CD2 C 13 133.859 0.300 . 1 . . . . 68 TYR CD2 . 10123 1 836 . 1 1 68 68 TYR CE1 C 13 118.288 0.300 . 1 . . . . 68 TYR CE1 . 10123 1 837 . 1 1 68 68 TYR CE2 C 13 118.288 0.300 . 1 . . . . 68 TYR CE2 . 10123 1 838 . 1 1 68 68 TYR N N 15 113.768 0.300 . 1 . . . . 68 TYR N . 10123 1 839 . 1 1 69 69 LYS H H 1 7.844 0.030 . 1 . . . . 69 LYS H . 10123 1 840 . 1 1 69 69 LYS HA H 1 3.877 0.030 . 1 . . . . 69 LYS HA . 10123 1 841 . 1 1 69 69 LYS HB2 H 1 1.516 0.030 . 2 . . . . 69 LYS HB2 . 10123 1 842 . 1 1 69 69 LYS HB3 H 1 1.673 0.030 . 2 . . . . 69 LYS HB3 . 10123 1 843 . 1 1 69 69 LYS HG2 H 1 1.240 0.030 . 2 . . . . 69 LYS HG2 . 10123 1 844 . 1 1 69 69 LYS HG3 H 1 1.354 0.030 . 2 . . . . 69 LYS HG3 . 10123 1 845 . 1 1 69 69 LYS HD2 H 1 1.477 0.030 . 1 . . . . 69 LYS HD2 . 10123 1 846 . 1 1 69 69 LYS HD3 H 1 1.477 0.030 . 1 . . . . 69 LYS HD3 . 10123 1 847 . 1 1 69 69 LYS HE2 H 1 2.994 0.030 . 1 . . . . 69 LYS HE2 . 10123 1 848 . 1 1 69 69 LYS HE3 H 1 2.994 0.030 . 1 . . . . 69 LYS HE3 . 10123 1 849 . 1 1 69 69 LYS C C 13 177.860 0.300 . 1 . . . . 69 LYS C . 10123 1 850 . 1 1 69 69 LYS CA C 13 61.017 0.300 . 1 . . . . 69 LYS CA . 10123 1 851 . 1 1 69 69 LYS CB C 13 31.570 0.300 . 1 . . . . 69 LYS CB . 10123 1 852 . 1 1 69 69 LYS CG C 13 24.195 0.300 . 1 . . . . 69 LYS CG . 10123 1 853 . 1 1 69 69 LYS CD C 13 29.569 0.300 . 1 . . . . 69 LYS CD . 10123 1 854 . 1 1 69 69 LYS CE C 13 42.173 0.300 . 1 . . . . 69 LYS CE . 10123 1 855 . 1 1 69 69 LYS N N 15 124.948 0.300 . 1 . . . . 69 LYS N . 10123 1 856 . 1 1 70 70 ASP H H 1 8.508 0.030 . 1 . . . . 70 ASP H . 10123 1 857 . 1 1 70 70 ASP HA H 1 4.335 0.030 . 1 . . . . 70 ASP HA . 10123 1 858 . 1 1 70 70 ASP HB2 H 1 2.500 0.030 . 2 . . . . 70 ASP HB2 . 10123 1 859 . 1 1 70 70 ASP HB3 H 1 2.556 0.030 . 2 . . . . 70 ASP HB3 . 10123 1 860 . 1 1 70 70 ASP C C 13 176.268 0.300 . 1 . . . . 70 ASP C . 10123 1 861 . 1 1 70 70 ASP CA C 13 56.248 0.300 . 1 . . . . 70 ASP CA . 10123 1 862 . 1 1 70 70 ASP CB C 13 39.963 0.300 . 1 . . . . 70 ASP CB . 10123 1 863 . 1 1 70 70 ASP N N 15 118.062 0.300 . 1 . . . . 70 ASP N . 10123 1 864 . 1 1 71 71 LYS H H 1 7.184 0.030 . 1 . . . . 71 LYS H . 10123 1 865 . 1 1 71 71 LYS HA H 1 4.009 0.030 . 1 . . . . 71 LYS HA . 10123 1 866 . 1 1 71 71 LYS HB2 H 1 1.012 0.030 . 2 . . . . 71 LYS HB2 . 10123 1 867 . 1 1 71 71 LYS HB3 H 1 1.118 0.030 . 2 . . . . 71 LYS HB3 . 10123 1 868 . 1 1 71 71 LYS HG2 H 1 0.815 0.030 . 2 . . . . 71 LYS HG2 . 10123 1 869 . 1 1 71 71 LYS HG3 H 1 1.020 0.030 . 2 . . . . 71 LYS HG3 . 10123 1 870 . 1 1 71 71 LYS HD2 H 1 1.210 0.030 . 2 . . . . 71 LYS HD2 . 10123 1 871 . 1 1 71 71 LYS HD3 H 1 1.272 0.030 . 2 . . . . 71 LYS HD3 . 10123 1 872 . 1 1 71 71 LYS HE2 H 1 2.753 0.030 . 2 . . . . 71 LYS HE2 . 10123 1 873 . 1 1 71 71 LYS HE3 H 1 2.793 0.030 . 2 . . . . 71 LYS HE3 . 10123 1 874 . 1 1 71 71 LYS C C 13 177.906 0.300 . 1 . . . . 71 LYS C . 10123 1 875 . 1 1 71 71 LYS CA C 13 57.624 0.300 . 1 . . . . 71 LYS CA . 10123 1 876 . 1 1 71 71 LYS CB C 13 33.392 0.300 . 1 . . . . 71 LYS CB . 10123 1 877 . 1 1 71 71 LYS CG C 13 24.703 0.300 . 1 . . . . 71 LYS CG . 10123 1 878 . 1 1 71 71 LYS CD C 13 29.033 0.300 . 1 . . . . 71 LYS CD . 10123 1 879 . 1 1 71 71 LYS CE C 13 41.850 0.300 . 1 . . . . 71 LYS CE . 10123 1 880 . 1 1 71 71 LYS N N 15 117.976 0.300 . 1 . . . . 71 LYS N . 10123 1 881 . 1 1 72 72 PHE H H 1 7.594 0.030 . 1 . . . . 72 PHE H . 10123 1 882 . 1 1 72 72 PHE HA H 1 4.905 0.030 . 1 . . . . 72 PHE HA . 10123 1 883 . 1 1 72 72 PHE HB2 H 1 2.550 0.030 . 2 . . . . 72 PHE HB2 . 10123 1 884 . 1 1 72 72 PHE HB3 H 1 0.766 0.030 . 2 . . . . 72 PHE HB3 . 10123 1 885 . 1 1 72 72 PHE HD1 H 1 6.391 0.030 . 1 . . . . 72 PHE HD1 . 10123 1 886 . 1 1 72 72 PHE HD2 H 1 6.391 0.030 . 1 . . . . 72 PHE HD2 . 10123 1 887 . 1 1 72 72 PHE HE1 H 1 6.157 0.030 . 1 . . . . 72 PHE HE1 . 10123 1 888 . 1 1 72 72 PHE HE2 H 1 6.157 0.030 . 1 . . . . 72 PHE HE2 . 10123 1 889 . 1 1 72 72 PHE HZ H 1 6.073 0.030 . 1 . . . . 72 PHE HZ . 10123 1 890 . 1 1 72 72 PHE C C 13 177.267 0.300 . 1 . . . . 72 PHE C . 10123 1 891 . 1 1 72 72 PHE CA C 13 54.485 0.300 . 1 . . . . 72 PHE CA . 10123 1 892 . 1 1 72 72 PHE CB C 13 38.093 0.300 . 1 . . . . 72 PHE CB . 10123 1 893 . 1 1 72 72 PHE CD1 C 13 128.993 0.300 . 1 . . . . 72 PHE CD1 . 10123 1 894 . 1 1 72 72 PHE CD2 C 13 128.993 0.300 . 1 . . . . 72 PHE CD2 . 10123 1 895 . 1 1 72 72 PHE CE1 C 13 131.120 0.300 . 1 . . . . 72 PHE CE1 . 10123 1 896 . 1 1 72 72 PHE CE2 C 13 131.120 0.300 . 1 . . . . 72 PHE CE2 . 10123 1 897 . 1 1 72 72 PHE CZ C 13 128.610 0.300 . 1 . . . . 72 PHE CZ . 10123 1 898 . 1 1 72 72 PHE N N 15 113.217 0.300 . 1 . . . . 72 PHE N . 10123 1 899 . 1 1 73 73 GLY H H 1 8.159 0.030 . 1 . . . . 73 GLY H . 10123 1 900 . 1 1 73 73 GLY HA2 H 1 4.568 0.030 . 2 . . . . 73 GLY HA2 . 10123 1 901 . 1 1 73 73 GLY HA3 H 1 3.956 0.030 . 2 . . . . 73 GLY HA3 . 10123 1 902 . 1 1 73 73 GLY C C 13 173.573 0.300 . 1 . . . . 73 GLY C . 10123 1 903 . 1 1 73 73 GLY CA C 13 46.667 0.300 . 1 . . . . 73 GLY CA . 10123 1 904 . 1 1 73 73 GLY N N 15 110.454 0.300 . 1 . . . . 73 GLY N . 10123 1 905 . 1 1 74 74 LYS H H 1 7.400 0.030 . 1 . . . . 74 LYS H . 10123 1 906 . 1 1 74 74 LYS HA H 1 4.506 0.030 . 1 . . . . 74 LYS HA . 10123 1 907 . 1 1 74 74 LYS HB2 H 1 1.868 0.030 . 2 . . . . 74 LYS HB2 . 10123 1 908 . 1 1 74 74 LYS HB3 H 1 1.722 0.030 . 2 . . . . 74 LYS HB3 . 10123 1 909 . 1 1 74 74 LYS HG2 H 1 1.382 0.030 . 1 . . . . 74 LYS HG2 . 10123 1 910 . 1 1 74 74 LYS HG3 H 1 1.382 0.030 . 1 . . . . 74 LYS HG3 . 10123 1 911 . 1 1 74 74 LYS HD2 H 1 1.685 0.030 . 1 . . . . 74 LYS HD2 . 10123 1 912 . 1 1 74 74 LYS HD3 H 1 1.685 0.030 . 1 . . . . 74 LYS HD3 . 10123 1 913 . 1 1 74 74 LYS HE2 H 1 3.024 0.030 . 1 . . . . 74 LYS HE2 . 10123 1 914 . 1 1 74 74 LYS HE3 H 1 3.024 0.030 . 1 . . . . 74 LYS HE3 . 10123 1 915 . 1 1 74 74 LYS C C 13 175.786 0.300 . 1 . . . . 74 LYS C . 10123 1 916 . 1 1 74 74 LYS CA C 13 54.954 0.300 . 1 . . . . 74 LYS CA . 10123 1 917 . 1 1 74 74 LYS CB C 13 33.831 0.300 . 1 . . . . 74 LYS CB . 10123 1 918 . 1 1 74 74 LYS CG C 13 24.722 0.300 . 1 . . . . 74 LYS CG . 10123 1 919 . 1 1 74 74 LYS CD C 13 28.971 0.300 . 1 . . . . 74 LYS CD . 10123 1 920 . 1 1 74 74 LYS CE C 13 42.337 0.300 . 1 . . . . 74 LYS CE . 10123 1 921 . 1 1 74 74 LYS N N 15 120.296 0.300 . 1 . . . . 74 LYS N . 10123 1 922 . 1 1 75 75 SER H H 1 8.308 0.030 . 1 . . . . 75 SER H . 10123 1 923 . 1 1 75 75 SER HA H 1 4.417 0.030 . 1 . . . . 75 SER HA . 10123 1 924 . 1 1 75 75 SER HB2 H 1 3.902 0.030 . 1 . . . . 75 SER HB2 . 10123 1 925 . 1 1 75 75 SER HB3 H 1 3.902 0.030 . 1 . . . . 75 SER HB3 . 10123 1 926 . 1 1 75 75 SER C C 13 173.769 0.300 . 1 . . . . 75 SER C . 10123 1 927 . 1 1 75 75 SER CA C 13 59.463 0.300 . 1 . . . . 75 SER CA . 10123 1 928 . 1 1 75 75 SER CB C 13 63.758 0.300 . 1 . . . . 75 SER CB . 10123 1 929 . 1 1 75 75 SER N N 15 116.389 0.300 . 1 . . . . 75 SER N . 10123 1 930 . 1 1 76 76 ASN H H 1 8.583 0.030 . 1 . . . . 76 ASN H . 10123 1 931 . 1 1 76 76 ASN HA H 1 4.698 0.030 . 1 . . . . 76 ASN HA . 10123 1 932 . 1 1 76 76 ASN HB2 H 1 2.367 0.030 . 2 . . . . 76 ASN HB2 . 10123 1 933 . 1 1 76 76 ASN HB3 H 1 2.130 0.030 . 2 . . . . 76 ASN HB3 . 10123 1 934 . 1 1 76 76 ASN HD21 H 1 7.044 0.030 . 2 . . . . 76 ASN HD21 . 10123 1 935 . 1 1 76 76 ASN C C 13 174.299 0.300 . 1 . . . . 76 ASN C . 10123 1 936 . 1 1 76 76 ASN CA C 13 52.888 0.300 . 1 . . . . 76 ASN CA . 10123 1 937 . 1 1 76 76 ASN CB C 13 41.145 0.300 . 1 . . . . 76 ASN CB . 10123 1 938 . 1 1 76 76 ASN N N 15 121.162 0.300 . 1 . . . . 76 ASN N . 10123 1 939 . 1 1 76 76 ASN ND2 N 15 111.048 0.300 . 1 . . . . 76 ASN ND2 . 10123 1 940 . 1 1 77 77 LYS H H 1 8.342 0.030 . 1 . . . . 77 LYS H . 10123 1 941 . 1 1 77 77 LYS HA H 1 4.360 0.030 . 1 . . . . 77 LYS HA . 10123 1 942 . 1 1 77 77 LYS HB2 H 1 2.030 0.030 . 2 . . . . 77 LYS HB2 . 10123 1 943 . 1 1 77 77 LYS HB3 H 1 1.768 0.030 . 2 . . . . 77 LYS HB3 . 10123 1 944 . 1 1 77 77 LYS HG2 H 1 1.461 0.030 . 1 . . . . 77 LYS HG2 . 10123 1 945 . 1 1 77 77 LYS HG3 H 1 1.461 0.030 . 1 . . . . 77 LYS HG3 . 10123 1 946 . 1 1 77 77 LYS HD2 H 1 1.693 0.030 . 1 . . . . 77 LYS HD2 . 10123 1 947 . 1 1 77 77 LYS HD3 H 1 1.693 0.030 . 1 . . . . 77 LYS HD3 . 10123 1 948 . 1 1 77 77 LYS HE2 H 1 3.016 0.030 . 1 . . . . 77 LYS HE2 . 10123 1 949 . 1 1 77 77 LYS HE3 H 1 3.016 0.030 . 1 . . . . 77 LYS HE3 . 10123 1 950 . 1 1 77 77 LYS C C 13 177.492 0.300 . 1 . . . . 77 LYS C . 10123 1 951 . 1 1 77 77 LYS CA C 13 56.514 0.300 . 1 . . . . 77 LYS CA . 10123 1 952 . 1 1 77 77 LYS CB C 13 32.561 0.300 . 1 . . . . 77 LYS CB . 10123 1 953 . 1 1 77 77 LYS CG C 13 24.980 0.300 . 1 . . . . 77 LYS CG . 10123 1 954 . 1 1 77 77 LYS CD C 13 29.047 0.300 . 1 . . . . 77 LYS CD . 10123 1 955 . 1 1 77 77 LYS CE C 13 42.083 0.300 . 1 . . . . 77 LYS CE . 10123 1 956 . 1 1 77 77 LYS N N 15 119.266 0.300 . 1 . . . . 77 LYS N . 10123 1 957 . 1 1 78 78 ARG H H 1 8.796 0.030 . 1 . . . . 78 ARG H . 10123 1 958 . 1 1 78 78 ARG HA H 1 4.293 0.030 . 1 . . . . 78 ARG HA . 10123 1 959 . 1 1 78 78 ARG HB2 H 1 2.046 0.030 . 1 . . . . 78 ARG HB2 . 10123 1 960 . 1 1 78 78 ARG HB3 H 1 2.046 0.030 . 1 . . . . 78 ARG HB3 . 10123 1 961 . 1 1 78 78 ARG HG2 H 1 1.802 0.030 . 2 . . . . 78 ARG HG2 . 10123 1 962 . 1 1 78 78 ARG HG3 H 1 1.863 0.030 . 2 . . . . 78 ARG HG3 . 10123 1 963 . 1 1 78 78 ARG HD2 H 1 3.324 0.030 . 2 . . . . 78 ARG HD2 . 10123 1 964 . 1 1 78 78 ARG HD3 H 1 3.394 0.030 . 2 . . . . 78 ARG HD3 . 10123 1 965 . 1 1 78 78 ARG C C 13 177.690 0.300 . 1 . . . . 78 ARG C . 10123 1 966 . 1 1 78 78 ARG CA C 13 55.958 0.300 . 1 . . . . 78 ARG CA . 10123 1 967 . 1 1 78 78 ARG CB C 13 29.762 0.300 . 1 . . . . 78 ARG CB . 10123 1 968 . 1 1 78 78 ARG CG C 13 27.938 0.300 . 1 . . . . 78 ARG CG . 10123 1 969 . 1 1 78 78 ARG CD C 13 42.514 0.300 . 1 . . . . 78 ARG CD . 10123 1 970 . 1 1 78 78 ARG N N 15 122.149 0.300 . 1 . . . . 78 ARG N . 10123 1 971 . 1 1 79 79 LYS H H 1 8.934 0.030 . 1 . . . . 79 LYS H . 10123 1 972 . 1 1 79 79 LYS HA H 1 4.234 0.030 . 1 . . . . 79 LYS HA . 10123 1 973 . 1 1 79 79 LYS HB2 H 1 1.978 0.030 . 2 . . . . 79 LYS HB2 . 10123 1 974 . 1 1 79 79 LYS HB3 H 1 1.905 0.030 . 2 . . . . 79 LYS HB3 . 10123 1 975 . 1 1 79 79 LYS HG2 H 1 1.580 0.030 . 2 . . . . 79 LYS HG2 . 10123 1 976 . 1 1 79 79 LYS HG3 H 1 1.455 0.030 . 2 . . . . 79 LYS HG3 . 10123 1 977 . 1 1 79 79 LYS HD2 H 1 1.757 0.030 . 1 . . . . 79 LYS HD2 . 10123 1 978 . 1 1 79 79 LYS HD3 H 1 1.757 0.030 . 1 . . . . 79 LYS HD3 . 10123 1 979 . 1 1 79 79 LYS HE2 H 1 3.056 0.030 . 1 . . . . 79 LYS HE2 . 10123 1 980 . 1 1 79 79 LYS HE3 H 1 3.056 0.030 . 1 . . . . 79 LYS HE3 . 10123 1 981 . 1 1 79 79 LYS C C 13 177.156 0.300 . 1 . . . . 79 LYS C . 10123 1 982 . 1 1 79 79 LYS CA C 13 58.874 0.300 . 1 . . . . 79 LYS CA . 10123 1 983 . 1 1 79 79 LYS CB C 13 32.184 0.300 . 1 . . . . 79 LYS CB . 10123 1 984 . 1 1 79 79 LYS CG C 13 24.641 0.300 . 1 . . . . 79 LYS CG . 10123 1 985 . 1 1 79 79 LYS CD C 13 29.303 0.300 . 1 . . . . 79 LYS CD . 10123 1 986 . 1 1 79 79 LYS CE C 13 42.237 0.300 . 1 . . . . 79 LYS CE . 10123 1 987 . 1 1 79 79 LYS N N 15 128.415 0.300 . 1 . . . . 79 LYS N . 10123 1 988 . 1 1 80 80 GLY H H 1 8.925 0.030 . 1 . . . . 80 GLY H . 10123 1 989 . 1 1 80 80 GLY HA2 H 1 4.391 0.030 . 2 . . . . 80 GLY HA2 . 10123 1 990 . 1 1 80 80 GLY HA3 H 1 3.822 0.030 . 2 . . . . 80 GLY HA3 . 10123 1 991 . 1 1 80 80 GLY C C 13 175.019 0.300 . 1 . . . . 80 GLY C . 10123 1 992 . 1 1 80 80 GLY CA C 13 46.007 0.300 . 1 . . . . 80 GLY CA . 10123 1 993 . 1 1 80 80 GLY N N 15 114.601 0.300 . 1 . . . . 80 GLY N . 10123 1 994 . 1 1 81 81 PHE H H 1 8.287 0.030 . 1 . . . . 81 PHE H . 10123 1 995 . 1 1 81 81 PHE HA H 1 3.359 0.030 . 1 . . . . 81 PHE HA . 10123 1 996 . 1 1 81 81 PHE HB2 H 1 3.079 0.030 . 2 . . . . 81 PHE HB2 . 10123 1 997 . 1 1 81 81 PHE HB3 H 1 2.337 0.030 . 2 . . . . 81 PHE HB3 . 10123 1 998 . 1 1 81 81 PHE HD1 H 1 6.105 0.030 . 1 . . . . 81 PHE HD1 . 10123 1 999 . 1 1 81 81 PHE HD2 H 1 6.105 0.030 . 1 . . . . 81 PHE HD2 . 10123 1 1000 . 1 1 81 81 PHE HE1 H 1 7.535 0.030 . 1 . . . . 81 PHE HE1 . 10123 1 1001 . 1 1 81 81 PHE HE2 H 1 7.535 0.030 . 1 . . . . 81 PHE HE2 . 10123 1 1002 . 1 1 81 81 PHE HZ H 1 7.655 0.030 . 1 . . . . 81 PHE HZ . 10123 1 1003 . 1 1 81 81 PHE C C 13 177.297 0.300 . 1 . . . . 81 PHE C . 10123 1 1004 . 1 1 81 81 PHE CA C 13 63.082 0.300 . 1 . . . . 81 PHE CA . 10123 1 1005 . 1 1 81 81 PHE CB C 13 39.804 0.300 . 1 . . . . 81 PHE CB . 10123 1 1006 . 1 1 81 81 PHE CD1 C 13 131.251 0.300 . 1 . . . . 81 PHE CD1 . 10123 1 1007 . 1 1 81 81 PHE CD2 C 13 131.251 0.300 . 1 . . . . 81 PHE CD2 . 10123 1 1008 . 1 1 81 81 PHE CE1 C 13 132.027 0.300 . 1 . . . . 81 PHE CE1 . 10123 1 1009 . 1 1 81 81 PHE CE2 C 13 132.027 0.300 . 1 . . . . 81 PHE CE2 . 10123 1 1010 . 1 1 81 81 PHE CZ C 13 129.297 0.300 . 1 . . . . 81 PHE CZ . 10123 1 1011 . 1 1 81 81 PHE N N 15 123.730 0.300 . 1 . . . . 81 PHE N . 10123 1 1012 . 1 1 82 82 ASN H H 1 9.142 0.030 . 1 . . . . 82 ASN H . 10123 1 1013 . 1 1 82 82 ASN HA H 1 4.435 0.030 . 1 . . . . 82 ASN HA . 10123 1 1014 . 1 1 82 82 ASN HB2 H 1 2.832 0.030 . 1 . . . . 82 ASN HB2 . 10123 1 1015 . 1 1 82 82 ASN HB3 H 1 2.832 0.030 . 1 . . . . 82 ASN HB3 . 10123 1 1016 . 1 1 82 82 ASN HD21 H 1 6.692 0.030 . 2 . . . . 82 ASN HD21 . 10123 1 1017 . 1 1 82 82 ASN HD22 H 1 7.454 0.030 . 2 . . . . 82 ASN HD22 . 10123 1 1018 . 1 1 82 82 ASN C C 13 179.807 0.300 . 1 . . . . 82 ASN C . 10123 1 1019 . 1 1 82 82 ASN CA C 13 56.070 0.300 . 1 . . . . 82 ASN CA . 10123 1 1020 . 1 1 82 82 ASN CB C 13 36.674 0.300 . 1 . . . . 82 ASN CB . 10123 1 1021 . 1 1 82 82 ASN N N 15 119.745 0.300 . 1 . . . . 82 ASN N . 10123 1 1022 . 1 1 82 82 ASN ND2 N 15 109.363 0.300 . 1 . . . . 82 ASN ND2 . 10123 1 1023 . 1 1 83 83 GLU H H 1 9.571 0.030 . 1 . . . . 83 GLU H . 10123 1 1024 . 1 1 83 83 GLU HA H 1 4.172 0.030 . 1 . . . . 83 GLU HA . 10123 1 1025 . 1 1 83 83 GLU HB2 H 1 2.099 0.030 . 2 . . . . 83 GLU HB2 . 10123 1 1026 . 1 1 83 83 GLU HB3 H 1 2.173 0.030 . 2 . . . . 83 GLU HB3 . 10123 1 1027 . 1 1 83 83 GLU HG2 H 1 2.331 0.030 . 2 . . . . 83 GLU HG2 . 10123 1 1028 . 1 1 83 83 GLU HG3 H 1 2.650 0.030 . 2 . . . . 83 GLU HG3 . 10123 1 1029 . 1 1 83 83 GLU C C 13 179.198 0.300 . 1 . . . . 83 GLU C . 10123 1 1030 . 1 1 83 83 GLU CA C 13 60.935 0.300 . 1 . . . . 83 GLU CA . 10123 1 1031 . 1 1 83 83 GLU CB C 13 28.172 0.300 . 1 . . . . 83 GLU CB . 10123 1 1032 . 1 1 83 83 GLU CG C 13 37.395 0.300 . 1 . . . . 83 GLU CG . 10123 1 1033 . 1 1 83 83 GLU N N 15 123.677 0.300 . 1 . . . . 83 GLU N . 10123 1 1034 . 1 1 84 84 GLY H H 1 8.321 0.030 . 1 . . . . 84 GLY H . 10123 1 1035 . 1 1 84 84 GLY HA2 H 1 3.427 0.030 . 2 . . . . 84 GLY HA2 . 10123 1 1036 . 1 1 84 84 GLY HA3 H 1 3.881 0.030 . 2 . . . . 84 GLY HA3 . 10123 1 1037 . 1 1 84 84 GLY C C 13 174.970 0.300 . 1 . . . . 84 GLY C . 10123 1 1038 . 1 1 84 84 GLY CA C 13 46.619 0.300 . 1 . . . . 84 GLY CA . 10123 1 1039 . 1 1 84 84 GLY N N 15 110.843 0.300 . 1 . . . . 84 GLY N . 10123 1 1040 . 1 1 85 85 LEU H H 1 8.255 0.030 . 1 . . . . 85 LEU H . 10123 1 1041 . 1 1 85 85 LEU HA H 1 3.983 0.030 . 1 . . . . 85 LEU HA . 10123 1 1042 . 1 1 85 85 LEU HB2 H 1 1.500 0.030 . 2 . . . . 85 LEU HB2 . 10123 1 1043 . 1 1 85 85 LEU HB3 H 1 1.999 0.030 . 2 . . . . 85 LEU HB3 . 10123 1 1044 . 1 1 85 85 LEU HG H 1 1.012 0.030 . 1 . . . . 85 LEU HG . 10123 1 1045 . 1 1 85 85 LEU HD11 H 1 0.866 0.030 . 1 . . . . 85 LEU HD1 . 10123 1 1046 . 1 1 85 85 LEU HD12 H 1 0.866 0.030 . 1 . . . . 85 LEU HD1 . 10123 1 1047 . 1 1 85 85 LEU HD13 H 1 0.866 0.030 . 1 . . . . 85 LEU HD1 . 10123 1 1048 . 1 1 85 85 LEU HD21 H 1 1.503 0.030 . 1 . . . . 85 LEU HD2 . 10123 1 1049 . 1 1 85 85 LEU HD22 H 1 1.503 0.030 . 1 . . . . 85 LEU HD2 . 10123 1 1050 . 1 1 85 85 LEU HD23 H 1 1.503 0.030 . 1 . . . . 85 LEU HD2 . 10123 1 1051 . 1 1 85 85 LEU C C 13 179.149 0.300 . 1 . . . . 85 LEU C . 10123 1 1052 . 1 1 85 85 LEU CA C 13 56.819 0.300 . 1 . . . . 85 LEU CA . 10123 1 1053 . 1 1 85 85 LEU CB C 13 41.089 0.300 . 1 . . . . 85 LEU CB . 10123 1 1054 . 1 1 85 85 LEU CG C 13 25.832 0.300 . 1 . . . . 85 LEU CG . 10123 1 1055 . 1 1 85 85 LEU CD1 C 13 21.675 0.300 . 2 . . . . 85 LEU CD1 . 10123 1 1056 . 1 1 85 85 LEU CD2 C 13 25.823 0.300 . 2 . . . . 85 LEU CD2 . 10123 1 1057 . 1 1 85 85 LEU N N 15 121.480 0.300 . 1 . . . . 85 LEU N . 10123 1 1058 . 1 1 86 86 TRP H H 1 7.767 0.030 . 1 . . . . 86 TRP H . 10123 1 1059 . 1 1 86 86 TRP HA H 1 4.226 0.030 . 1 . . . . 86 TRP HA . 10123 1 1060 . 1 1 86 86 TRP HB2 H 1 3.592 0.030 . 2 . . . . 86 TRP HB2 . 10123 1 1061 . 1 1 86 86 TRP HB3 H 1 3.324 0.030 . 2 . . . . 86 TRP HB3 . 10123 1 1062 . 1 1 86 86 TRP HD1 H 1 7.283 0.030 . 1 . . . . 86 TRP HD1 . 10123 1 1063 . 1 1 86 86 TRP HE1 H 1 10.132 0.030 . 1 . . . . 86 TRP HE1 . 10123 1 1064 . 1 1 86 86 TRP HE3 H 1 7.564 0.030 . 1 . . . . 86 TRP HE3 . 10123 1 1065 . 1 1 86 86 TRP HZ2 H 1 7.445 0.030 . 1 . . . . 86 TRP HZ2 . 10123 1 1066 . 1 1 86 86 TRP HH2 H 1 7.233 0.030 . 1 . . . . 86 TRP HH2 . 10123 1 1067 . 1 1 86 86 TRP C C 13 179.115 0.300 . 1 . . . . 86 TRP C . 10123 1 1068 . 1 1 86 86 TRP CA C 13 61.216 0.300 . 1 . . . . 86 TRP CA . 10123 1 1069 . 1 1 86 86 TRP CB C 13 28.537 0.300 . 1 . . . . 86 TRP CB . 10123 1 1070 . 1 1 86 86 TRP CD1 C 13 127.218 0.300 . 1 . . . . 86 TRP CD1 . 10123 1 1071 . 1 1 86 86 TRP CE3 C 13 120.654 0.300 . 1 . . . . 86 TRP CE3 . 10123 1 1072 . 1 1 86 86 TRP CZ2 C 13 114.662 0.300 . 1 . . . . 86 TRP CZ2 . 10123 1 1073 . 1 1 86 86 TRP CZ3 C 13 121.959 0.300 . 1 . . . . 86 TRP CZ3 . 10123 1 1074 . 1 1 86 86 TRP CH2 C 13 124.685 0.300 . 1 . . . . 86 TRP CH2 . 10123 1 1075 . 1 1 86 86 TRP N N 15 119.902 0.300 . 1 . . . . 86 TRP N . 10123 1 1076 . 1 1 86 86 TRP NE1 N 15 129.870 0.300 . 1 . . . . 86 TRP NE1 . 10123 1 1077 . 1 1 87 87 GLU H H 1 8.636 0.030 . 1 . . . . 87 GLU H . 10123 1 1078 . 1 1 87 87 GLU HA H 1 3.614 0.030 . 1 . . . . 87 GLU HA . 10123 1 1079 . 1 1 87 87 GLU HB2 H 1 2.106 0.030 . 2 . . . . 87 GLU HB2 . 10123 1 1080 . 1 1 87 87 GLU HB3 H 1 2.281 0.030 . 2 . . . . 87 GLU HB3 . 10123 1 1081 . 1 1 87 87 GLU HG2 H 1 3.127 0.030 . 2 . . . . 87 GLU HG2 . 10123 1 1082 . 1 1 87 87 GLU HG3 H 1 2.605 0.030 . 2 . . . . 87 GLU HG3 . 10123 1 1083 . 1 1 87 87 GLU C C 13 179.685 0.300 . 1 . . . . 87 GLU C . 10123 1 1084 . 1 1 87 87 GLU CA C 13 59.716 0.300 . 1 . . . . 87 GLU CA . 10123 1 1085 . 1 1 87 87 GLU CB C 13 30.797 0.300 . 1 . . . . 87 GLU CB . 10123 1 1086 . 1 1 87 87 GLU CG C 13 36.815 0.300 . 1 . . . . 87 GLU CG . 10123 1 1087 . 1 1 87 87 GLU N N 15 119.255 0.300 . 1 . . . . 87 GLU N . 10123 1 1088 . 1 1 88 88 ILE H H 1 7.806 0.030 . 1 . . . . 88 ILE H . 10123 1 1089 . 1 1 88 88 ILE HA H 1 2.685 0.030 . 1 . . . . 88 ILE HA . 10123 1 1090 . 1 1 88 88 ILE HB H 1 0.882 0.030 . 1 . . . . 88 ILE HB . 10123 1 1091 . 1 1 88 88 ILE HG12 H 1 -0.001 0.030 . 2 . . . . 88 ILE HG12 . 10123 1 1092 . 1 1 88 88 ILE HG13 H 1 0.964 0.030 . 2 . . . . 88 ILE HG13 . 10123 1 1093 . 1 1 88 88 ILE HG21 H 1 0.779 0.030 . 1 . . . . 88 ILE HG2 . 10123 1 1094 . 1 1 88 88 ILE HG22 H 1 0.779 0.030 . 1 . . . . 88 ILE HG2 . 10123 1 1095 . 1 1 88 88 ILE HG23 H 1 0.779 0.030 . 1 . . . . 88 ILE HG2 . 10123 1 1096 . 1 1 88 88 ILE HD11 H 1 0.376 0.030 . 1 . . . . 88 ILE HD1 . 10123 1 1097 . 1 1 88 88 ILE HD12 H 1 0.376 0.030 . 1 . . . . 88 ILE HD1 . 10123 1 1098 . 1 1 88 88 ILE HD13 H 1 0.376 0.030 . 1 . . . . 88 ILE HD1 . 10123 1 1099 . 1 1 88 88 ILE C C 13 176.200 0.300 . 1 . . . . 88 ILE C . 10123 1 1100 . 1 1 88 88 ILE CA C 13 65.039 0.300 . 1 . . . . 88 ILE CA . 10123 1 1101 . 1 1 88 88 ILE CB C 13 37.253 0.300 . 1 . . . . 88 ILE CB . 10123 1 1102 . 1 1 88 88 ILE CG1 C 13 30.931 0.300 . 1 . . . . 88 ILE CG1 . 10123 1 1103 . 1 1 88 88 ILE CG2 C 13 16.994 0.300 . 1 . . . . 88 ILE CG2 . 10123 1 1104 . 1 1 88 88 ILE CD1 C 13 15.152 0.300 . 1 . . . . 88 ILE CD1 . 10123 1 1105 . 1 1 88 88 ILE N N 15 118.773 0.300 . 1 . . . . 88 ILE N . 10123 1 1106 . 1 1 89 89 GLU H H 1 6.681 0.030 . 1 . . . . 89 GLU H . 10123 1 1107 . 1 1 89 89 GLU HA H 1 3.990 0.030 . 1 . . . . 89 GLU HA . 10123 1 1108 . 1 1 89 89 GLU HB2 H 1 1.789 0.030 . 2 . . . . 89 GLU HB2 . 10123 1 1109 . 1 1 89 89 GLU HB3 H 1 1.972 0.030 . 2 . . . . 89 GLU HB3 . 10123 1 1110 . 1 1 89 89 GLU HG2 H 1 2.189 0.030 . 2 . . . . 89 GLU HG2 . 10123 1 1111 . 1 1 89 89 GLU HG3 H 1 2.363 0.030 . 2 . . . . 89 GLU HG3 . 10123 1 1112 . 1 1 89 89 GLU C C 13 176.688 0.300 . 1 . . . . 89 GLU C . 10123 1 1113 . 1 1 89 89 GLU CA C 13 57.230 0.300 . 1 . . . . 89 GLU CA . 10123 1 1114 . 1 1 89 89 GLU CB C 13 30.280 0.300 . 1 . . . . 89 GLU CB . 10123 1 1115 . 1 1 89 89 GLU CG C 13 36.483 0.300 . 1 . . . . 89 GLU CG . 10123 1 1116 . 1 1 89 89 GLU N N 15 120.000 0.300 . 1 . . . . 89 GLU N . 10123 1 1117 . 1 1 90 90 ASN H H 1 7.153 0.030 . 1 . . . . 90 ASN H . 10123 1 1118 . 1 1 90 90 ASN HA H 1 4.563 0.030 . 1 . . . . 90 ASN HA . 10123 1 1119 . 1 1 90 90 ASN HB2 H 1 2.261 0.030 . 2 . . . . 90 ASN HB2 . 10123 1 1120 . 1 1 90 90 ASN HB3 H 1 1.414 0.030 . 2 . . . . 90 ASN HB3 . 10123 1 1121 . 1 1 90 90 ASN HD21 H 1 6.168 0.030 . 2 . . . . 90 ASN HD21 . 10123 1 1122 . 1 1 90 90 ASN HD22 H 1 6.628 0.030 . 2 . . . . 90 ASN HD22 . 10123 1 1123 . 1 1 90 90 ASN C C 13 174.382 0.300 . 1 . . . . 90 ASN C . 10123 1 1124 . 1 1 90 90 ASN CA C 13 53.462 0.300 . 1 . . . . 90 ASN CA . 10123 1 1125 . 1 1 90 90 ASN CB C 13 39.379 0.300 . 1 . . . . 90 ASN CB . 10123 1 1126 . 1 1 90 90 ASN N N 15 116.530 0.300 . 1 . . . . 90 ASN N . 10123 1 1127 . 1 1 90 90 ASN ND2 N 15 115.384 0.300 . 1 . . . . 90 ASN ND2 . 10123 1 1128 . 1 1 91 91 SER H H 1 7.428 0.030 . 1 . . . . 91 SER H . 10123 1 1129 . 1 1 91 91 SER HA H 1 4.433 0.030 . 1 . . . . 91 SER HA . 10123 1 1130 . 1 1 91 91 SER HB2 H 1 3.891 0.030 . 2 . . . . 91 SER HB2 . 10123 1 1131 . 1 1 91 91 SER HB3 H 1 3.849 0.030 . 2 . . . . 91 SER HB3 . 10123 1 1132 . 1 1 91 91 SER C C 13 174.447 0.300 . 1 . . . . 91 SER C . 10123 1 1133 . 1 1 91 91 SER CA C 13 59.025 0.300 . 1 . . . . 91 SER CA . 10123 1 1134 . 1 1 91 91 SER CB C 13 63.887 0.300 . 1 . . . . 91 SER CB . 10123 1 1135 . 1 1 91 91 SER N N 15 114.796 0.300 . 1 . . . . 91 SER N . 10123 1 1136 . 1 1 92 92 GLY H H 1 8.140 0.030 . 1 . . . . 92 GLY H . 10123 1 1137 . 1 1 92 92 GLY HA2 H 1 4.062 0.030 . 2 . . . . 92 GLY HA2 . 10123 1 1138 . 1 1 92 92 GLY HA3 H 1 4.157 0.030 . 2 . . . . 92 GLY HA3 . 10123 1 1139 . 1 1 92 92 GLY C C 13 171.808 0.300 . 1 . . . . 92 GLY C . 10123 1 1140 . 1 1 92 92 GLY CA C 13 44.941 0.300 . 1 . . . . 92 GLY CA . 10123 1 1141 . 1 1 92 92 GLY N N 15 110.702 0.300 . 1 . . . . 92 GLY N . 10123 1 1142 . 1 1 93 93 PRO HA H 1 4.509 0.030 . 1 . . . . 93 PRO HA . 10123 1 1143 . 1 1 93 93 PRO HB2 H 1 1.990 0.030 . 2 . . . . 93 PRO HB2 . 10123 1 1144 . 1 1 93 93 PRO HB3 H 1 2.329 0.030 . 2 . . . . 93 PRO HB3 . 10123 1 1145 . 1 1 93 93 PRO HG2 H 1 2.035 0.030 . 1 . . . . 93 PRO HG2 . 10123 1 1146 . 1 1 93 93 PRO HG3 H 1 2.035 0.030 . 1 . . . . 93 PRO HG3 . 10123 1 1147 . 1 1 93 93 PRO HD2 H 1 3.641 0.030 . 1 . . . . 93 PRO HD2 . 10123 1 1148 . 1 1 93 93 PRO HD3 H 1 3.641 0.030 . 1 . . . . 93 PRO HD3 . 10123 1 1149 . 1 1 93 93 PRO C C 13 177.460 0.300 . 1 . . . . 93 PRO C . 10123 1 1150 . 1 1 93 93 PRO CA C 13 63.292 0.300 . 1 . . . . 93 PRO CA . 10123 1 1151 . 1 1 93 93 PRO CB C 13 32.281 0.300 . 1 . . . . 93 PRO CB . 10123 1 1152 . 1 1 93 93 PRO CG C 13 27.196 0.300 . 1 . . . . 93 PRO CG . 10123 1 1153 . 1 1 93 93 PRO CD C 13 49.923 0.300 . 1 . . . . 93 PRO CD . 10123 1 1154 . 1 1 94 94 SER H H 1 8.537 0.030 . 1 . . . . 94 SER H . 10123 1 1155 . 1 1 94 94 SER HA H 1 4.483 0.030 . 1 . . . . 94 SER HA . 10123 1 1156 . 1 1 94 94 SER HB2 H 1 3.901 0.030 . 1 . . . . 94 SER HB2 . 10123 1 1157 . 1 1 94 94 SER HB3 H 1 3.901 0.030 . 1 . . . . 94 SER HB3 . 10123 1 1158 . 1 1 94 94 SER C C 13 174.749 0.300 . 1 . . . . 94 SER C . 10123 1 1159 . 1 1 94 94 SER CA C 13 58.446 0.300 . 1 . . . . 94 SER CA . 10123 1 1160 . 1 1 94 94 SER CB C 13 63.769 0.300 . 1 . . . . 94 SER CB . 10123 1 1161 . 1 1 94 94 SER N N 15 116.433 0.300 . 1 . . . . 94 SER N . 10123 1 1162 . 1 1 95 95 SER H H 1 8.329 0.030 . 1 . . . . 95 SER H . 10123 1 1163 . 1 1 95 95 SER HA H 1 4.498 0.030 . 1 . . . . 95 SER HA . 10123 1 1164 . 1 1 95 95 SER HB2 H 1 3.909 0.030 . 1 . . . . 95 SER HB2 . 10123 1 1165 . 1 1 95 95 SER HB3 H 1 3.909 0.030 . 1 . . . . 95 SER HB3 . 10123 1 1166 . 1 1 95 95 SER C C 13 174.007 0.300 . 1 . . . . 95 SER C . 10123 1 1167 . 1 1 95 95 SER CA C 13 58.426 0.300 . 1 . . . . 95 SER CA . 10123 1 1168 . 1 1 95 95 SER CB C 13 64.126 0.300 . 1 . . . . 95 SER CB . 10123 1 1169 . 1 1 95 95 SER N N 15 117.879 0.300 . 1 . . . . 95 SER N . 10123 1 1170 . 1 1 96 96 GLY H H 1 8.053 0.030 . 1 . . . . 96 GLY H . 10123 1 1171 . 1 1 96 96 GLY C C 13 179.041 0.300 . 1 . . . . 96 GLY C . 10123 1 1172 . 1 1 96 96 GLY CA C 13 46.283 0.300 . 1 . . . . 96 GLY CA . 10123 1 1173 . 1 1 96 96 GLY N N 15 116.838 0.300 . 1 . . . . 96 GLY N . 10123 1 stop_ save_