data_4403 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4403 _Entry.Title ; 1H, 13C and 15N Resonance Assignment and Secondary Structure of the J Domain of Murine Polyomavirus T Antigens ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-09-13 _Entry.Accession_date 1999-09-14 _Entry.Last_release_date 2001-02-15 _Entry.Original_release_date 2001-02-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Mark Berjanskii . V. . 4403 2 Michael Riley . I. . 4403 3 Anyong Xie . . . 4403 4 Valentyna Semenchenko . . . 4403 5 William Folk . R. . 4403 6 Steven 'Van Doren' . R. . 4403 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4403 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 4403 '15N chemical shifts' 81 4403 '1H chemical shifts' 568 4403 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 . . 2001-02-15 1999-09-13 original author . 4403 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4403 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Berjanskii, M. V., Riley, M. I., Xie, A., Semenchenko, V., Folk, W. R., and Van Doren, S. R., "NMR Structure of the N-terminal J Domain of Murine Polyomavirus T Antigens: Implications for DnaJ-like Domains and for Mutations of T Antigens", J. Biol. Chem. 275, 36094-36103 (2000). ; _Citation.Title ; NMR Structure of the N-terminal J Domain of Murine Polyomavirus T Antigens: Implications for DnaJ-like Domains and for Mutations of T Antigens ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 275 _Citation.Journal_issue . _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 36094 _Citation.Page_last 36103 _Citation.Year 2000 _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 Mark Berjanskii . V. . 4403 1 2 Michael Riley . I. . 4403 1 3 Anyong Xie . . . 4403 1 4 Valentyna Semenchenko . . . 4403 1 5 William Folk . R. . 4403 1 6 Steven 'Van Doren' . R. . 4403 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DnaJ 4403 1 'J domain' 4403 1 'NMR assignments' 4403 1 polyomavirus 4403 1 'tumor antigen' 4403 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Py_J _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Py_J _Assembly.Entry_ID 4403 _Assembly.ID 1 _Assembly.Name 'Polyomavirus J domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4403 1 stop_ 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 'Py J' 1 $Py_J . . . native . . . . . 4403 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Polyomavirus J domain' system 4403 1 'Py J' abbreviation 4403 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; J chaperone, supports Py DNA replication and transformation by the tumor antigens. Stimulates the ATPase activity of hsp70 class chaperones in vitro. ; 4403 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Py_J _Entity.Sf_category entity _Entity.Sf_framecode Py_J _Entity.Entry_ID 4403 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Polyomavirus J 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 ; MDRVLSRADKERLLELLKLP RQLWGDFGRMQQAYKQQSLL LHPDKGGSHALMQELNSLWG TFKTEVYNLRMNLGGTGFQH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9985 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Contains exonI shared by the tumor antigens plus six histidines for purification. Has limited homology to J chaperones, including the highly conserved HPD motif. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16044 . PyLTNT . . . . . 92.94 264 100.00 100.00 1.01e-47 . . . . 4403 1 2 no PDB 1FAF . "Nmr Structure Of The N-Terminal J Domain Of Murine Polyomavirus T Antigens" . . . . . 92.94 79 100.00 100.00 5.59e-49 . . . . 4403 1 3 no EMBL CAA42510 . "large T antigen [Mus musculus]" . . . . . 92.94 782 100.00 100.00 1.82e-45 . . . . 4403 1 4 no GB AAA46872 . "large t-antigen [Murine polyomavirus strain A3]" . . . . . 92.94 782 100.00 100.00 1.46e-45 . . . . 4403 1 5 no GB AAA93241 . "large t antigen [Murine polyomavirus]" . . . . . 92.94 782 100.00 100.00 1.46e-45 . . . . 4403 1 6 no GB AAA93245 . "large t antigen [Murine polyomavirus]" . . . . . 92.94 782 100.00 100.00 1.46e-45 . . . . 4403 1 7 no GB AAB59901 . "large t-antigen [Murine polyomavirus strain A2]" . . . . . 92.94 785 100.00 100.00 1.32e-45 . . . . 4403 1 8 no GB AAL35609 . "large T antigen [Murine polyomavirus strain BG]" . . . . . 92.94 782 100.00 100.00 1.46e-45 . . . . 4403 1 9 no REF YP_009111413 . "large T antigen [Murine polyomavirus strain BG]" . . . . . 92.94 782 100.00 100.00 1.46e-45 . . . . 4403 1 10 no SP P03073 . "RecName: Full=Large T antigen; Short=LT; Short=LT-AG" . . . . . 92.94 785 100.00 100.00 1.32e-45 . . . . 4403 1 11 no SP P03074 . "RecName: Full=Large T antigen; Short=LT; Short=LT-AG" . . . . . 92.94 782 100.00 100.00 1.46e-45 . . . . 4403 1 12 no SP P12905 . "RecName: Full=Large T antigen; Short=LT; Short=LT-AG" . . . . . 94.12 777 98.75 100.00 1.11e-45 . . . . 4403 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Polyomavirus J domain' common 4403 1 'Py J' abbreviation 4403 1 'Py J domain' variant 4403 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4403 1 2 . ASP . 4403 1 3 . ARG . 4403 1 4 . VAL . 4403 1 5 . LEU . 4403 1 6 . SER . 4403 1 7 . ARG . 4403 1 8 . ALA . 4403 1 9 . ASP . 4403 1 10 . LYS . 4403 1 11 . GLU . 4403 1 12 . ARG . 4403 1 13 . LEU . 4403 1 14 . LEU . 4403 1 15 . GLU . 4403 1 16 . LEU . 4403 1 17 . LEU . 4403 1 18 . LYS . 4403 1 19 . LEU . 4403 1 20 . PRO . 4403 1 21 . ARG . 4403 1 22 . GLN . 4403 1 23 . LEU . 4403 1 24 . TRP . 4403 1 25 . GLY . 4403 1 26 . ASP . 4403 1 27 . PHE . 4403 1 28 . GLY . 4403 1 29 . ARG . 4403 1 30 . MET . 4403 1 31 . GLN . 4403 1 32 . GLN . 4403 1 33 . ALA . 4403 1 34 . TYR . 4403 1 35 . LYS . 4403 1 36 . GLN . 4403 1 37 . GLN . 4403 1 38 . SER . 4403 1 39 . LEU . 4403 1 40 . LEU . 4403 1 41 . LEU . 4403 1 42 . HIS . 4403 1 43 . PRO . 4403 1 44 . ASP . 4403 1 45 . LYS . 4403 1 46 . GLY . 4403 1 47 . GLY . 4403 1 48 . SER . 4403 1 49 . HIS . 4403 1 50 . ALA . 4403 1 51 . LEU . 4403 1 52 . MET . 4403 1 53 . GLN . 4403 1 54 . GLU . 4403 1 55 . LEU . 4403 1 56 . ASN . 4403 1 57 . SER . 4403 1 58 . LEU . 4403 1 59 . TRP . 4403 1 60 . GLY . 4403 1 61 . THR . 4403 1 62 . PHE . 4403 1 63 . LYS . 4403 1 64 . THR . 4403 1 65 . GLU . 4403 1 66 . VAL . 4403 1 67 . TYR . 4403 1 68 . ASN . 4403 1 69 . LEU . 4403 1 70 . ARG . 4403 1 71 . MET . 4403 1 72 . ASN . 4403 1 73 . LEU . 4403 1 74 . GLY . 4403 1 75 . GLY . 4403 1 76 . THR . 4403 1 77 . GLY . 4403 1 78 . PHE . 4403 1 79 . GLN . 4403 1 80 . HIS . 4403 1 81 . HIS . 4403 1 82 . HIS . 4403 1 83 . HIS . 4403 1 84 . HIS . 4403 1 85 . HIS . 4403 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4403 1 . ASP 2 2 4403 1 . ARG 3 3 4403 1 . VAL 4 4 4403 1 . LEU 5 5 4403 1 . SER 6 6 4403 1 . ARG 7 7 4403 1 . ALA 8 8 4403 1 . ASP 9 9 4403 1 . LYS 10 10 4403 1 . GLU 11 11 4403 1 . ARG 12 12 4403 1 . LEU 13 13 4403 1 . LEU 14 14 4403 1 . GLU 15 15 4403 1 . LEU 16 16 4403 1 . LEU 17 17 4403 1 . LYS 18 18 4403 1 . LEU 19 19 4403 1 . PRO 20 20 4403 1 . ARG 21 21 4403 1 . GLN 22 22 4403 1 . LEU 23 23 4403 1 . TRP 24 24 4403 1 . GLY 25 25 4403 1 . ASP 26 26 4403 1 . PHE 27 27 4403 1 . GLY 28 28 4403 1 . ARG 29 29 4403 1 . MET 30 30 4403 1 . GLN 31 31 4403 1 . GLN 32 32 4403 1 . ALA 33 33 4403 1 . TYR 34 34 4403 1 . LYS 35 35 4403 1 . GLN 36 36 4403 1 . GLN 37 37 4403 1 . SER 38 38 4403 1 . LEU 39 39 4403 1 . LEU 40 40 4403 1 . LEU 41 41 4403 1 . HIS 42 42 4403 1 . PRO 43 43 4403 1 . ASP 44 44 4403 1 . LYS 45 45 4403 1 . GLY 46 46 4403 1 . GLY 47 47 4403 1 . SER 48 48 4403 1 . HIS 49 49 4403 1 . ALA 50 50 4403 1 . LEU 51 51 4403 1 . MET 52 52 4403 1 . GLN 53 53 4403 1 . GLU 54 54 4403 1 . LEU 55 55 4403 1 . ASN 56 56 4403 1 . SER 57 57 4403 1 . LEU 58 58 4403 1 . TRP 59 59 4403 1 . GLY 60 60 4403 1 . THR 61 61 4403 1 . PHE 62 62 4403 1 . LYS 63 63 4403 1 . THR 64 64 4403 1 . GLU 65 65 4403 1 . VAL 66 66 4403 1 . TYR 67 67 4403 1 . ASN 68 68 4403 1 . LEU 69 69 4403 1 . ARG 70 70 4403 1 . MET 71 71 4403 1 . ASN 72 72 4403 1 . LEU 73 73 4403 1 . GLY 74 74 4403 1 . GLY 75 75 4403 1 . THR 76 76 4403 1 . GLY 77 77 4403 1 . PHE 78 78 4403 1 . GLN 79 79 4403 1 . HIS 80 80 4403 1 . HIS 81 81 4403 1 . HIS 82 82 4403 1 . HIS 83 83 4403 1 . HIS 84 84 4403 1 . HIS 85 85 4403 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 4403 _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 $Py_J . 10624 virus . Polyomavirus Polyomavirus . . Virus . Polyomavirus . A3 . . . . . . . . . . . . . . . . . ; tiny T antigen; Synthesized by PCR, substituting codons found frequently in highly expressed E. coli proteins. ; . . 4403 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 4403 _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 $Py_J . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . 'Typically purified ~5mg/liter medium' . . 4403 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4403 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Polyomavirus J domain' '[95% 13C; 95% 15N]' . . 1 $Py_J . . . 0.5 1.5 mM . . . . 4403 1 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 4403 1 3 KCl . . . . . . . 10 . . mM . . . . 4403 1 4 glycine . . . . . . . 100 . . mM . . . . 4403 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_set_1 _Sample_condition_list.Entry_ID 4403 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 6 0.2 n/a 4403 1 temperature 303 1 K 4403 1 stop_ save_ ############################ # Computer software used # ############################ save_Sybyl_Triad _Software.Sf_category software _Software.Sf_framecode Sybyl_Triad _Software.Entry_ID 4403 _Software.ID 1 _Software.Name 'Sybyl Triad' _Software.Version 6.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra processing and viewing' 4403 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4403 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4403 _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 NMR_spectrometer Bruker DRX . 500 . . . 4403 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 4403 _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 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4403 1 2 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4403 1 3 HN(CA)HA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4403 1 4 HA(CACO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4403 1 5 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4403 1 6 (H)CCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4403 1 7 HACACO . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4403 1 8 HCCH-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4403 1 9 'HCCH-TOCSY, 15N-separated' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4403 1 10 'NOESY-HSQC, 13N-separated' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4403 1 11 FSCT-HSMQC-NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4403 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4403 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Sybyl_Triad _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4403 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Sybyl_Triad _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4403 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CA)HA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Sybyl_Triad _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4403 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HA(CACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Sybyl_Triad _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4403 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Sybyl_Triad _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4403 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name (H)CCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Sybyl_Triad _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4403 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HACACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Sybyl_Triad _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4403 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Sybyl_Triad _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4403 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'HCCH-TOCSY, 15N-separated' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Sybyl_Triad _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4403 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 'NOESY-HSQC, 13N-separated' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Sybyl_Triad _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4403 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name FSCT-HSMQC-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Sybyl_Triad _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shifts_reference_set_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shifts_reference_set_1 _Chem_shift_reference.Entry_ID 4403 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4403 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4403 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4403 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_set_1 _Assigned_chem_shift_list.Entry_ID 4403 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shifts_reference_set_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 $sample_1 . 4403 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.05 . . 1 . . . . . . . . 4403 1 2 . 1 1 1 1 MET HB2 H 1 2.1 . . 1 . . . . . . . . 4403 1 3 . 1 1 1 1 MET HB3 H 1 2.1 . . 1 . . . . . . . . 4403 1 4 . 1 1 1 1 MET HG2 H 1 2.55 . . 1 . . . . . . . . 4403 1 5 . 1 1 1 1 MET HG3 H 1 2.55 . . 1 . . . . . . . . 4403 1 6 . 1 1 1 1 MET C C 13 172.14 . . 1 . . . . . . . . 4403 1 7 . 1 1 1 1 MET CA C 13 54.91 . . 1 . . . . . . . . 4403 1 8 . 1 1 1 1 MET CB C 13 32.83 . . 1 . . . . . . . . 4403 1 9 . 1 1 1 1 MET CG C 13 30.78 . . 1 . . . . . . . . 4403 1 10 . 1 1 2 2 ASP HA H 1 4.64 . . 1 . . . . . . . . 4403 1 11 . 1 1 2 2 ASP HB2 H 1 2.66 . . 2 . . . . . . . . 4403 1 12 . 1 1 2 2 ASP HB3 H 1 2.51 . . 2 . . . . . . . . 4403 1 13 . 1 1 2 2 ASP C C 13 175.1 . . 1 . . . . . . . . 4403 1 14 . 1 1 2 2 ASP CA C 13 54.42 . . 1 . . . . . . . . 4403 1 15 . 1 1 2 2 ASP CB C 13 41.39 . . 1 . . . . . . . . 4403 1 16 . 1 1 3 3 ARG H H 1 8.36 . . 1 . . . . . . . . 4403 1 17 . 1 1 3 3 ARG HA H 1 4.33 . . 1 . . . . . . . . 4403 1 18 . 1 1 3 3 ARG HB2 H 1 1.76 . . 1 . . . . . . . . 4403 1 19 . 1 1 3 3 ARG HB3 H 1 1.76 . . 1 . . . . . . . . 4403 1 20 . 1 1 3 3 ARG HG2 H 1 1.57 . . 1 . . . . . . . . 4403 1 21 . 1 1 3 3 ARG HG3 H 1 1.57 . . 1 . . . . . . . . 4403 1 22 . 1 1 3 3 ARG HD2 H 1 3.15 . . 1 . . . . . . . . 4403 1 23 . 1 1 3 3 ARG HD3 H 1 3.15 . . 1 . . . . . . . . 4403 1 24 . 1 1 3 3 ARG C C 13 174.82 . . 1 . . . . . . . . 4403 1 25 . 1 1 3 3 ARG CA C 13 55.97 . . 1 . . . . . . . . 4403 1 26 . 1 1 3 3 ARG CB C 13 30.99 . . 1 . . . . . . . . 4403 1 27 . 1 1 3 3 ARG CG C 13 27.04 . . 1 . . . . . . . . 4403 1 28 . 1 1 3 3 ARG CD C 13 43.21 . . 1 . . . . . . . . 4403 1 29 . 1 1 3 3 ARG N N 15 121.91 . . 1 . . . . . . . . 4403 1 30 . 1 1 4 4 VAL H H 1 7.99 . . 1 . . . . . . . . 4403 1 31 . 1 1 4 4 VAL HA H 1 4.31 . . 1 . . . . . . . . 4403 1 32 . 1 1 4 4 VAL HB H 1 2.05 . . 1 . . . . . . . . 4403 1 33 . 1 1 4 4 VAL HG11 H 1 0.76 . . 2 . . . . . . . . 4403 1 34 . 1 1 4 4 VAL HG12 H 1 0.76 . . 2 . . . . . . . . 4403 1 35 . 1 1 4 4 VAL HG13 H 1 0.76 . . 2 . . . . . . . . 4403 1 36 . 1 1 4 4 VAL HG21 H 1 0.82 . . 2 . . . . . . . . 4403 1 37 . 1 1 4 4 VAL HG22 H 1 0.82 . . 2 . . . . . . . . 4403 1 38 . 1 1 4 4 VAL HG23 H 1 0.82 . . 2 . . . . . . . . 4403 1 39 . 1 1 4 4 VAL C C 13 176.08 . . 1 . . . . . . . . 4403 1 40 . 1 1 4 4 VAL CA C 13 60.1 . . 1 . . . . . . . . 4403 1 41 . 1 1 4 4 VAL CB C 13 34.32 . . 1 . . . . . . . . 4403 1 42 . 1 1 4 4 VAL CG1 C 13 19.33 . . 2 . . . . . . . . 4403 1 43 . 1 1 4 4 VAL CG2 C 13 21.45 . . 2 . . . . . . . . 4403 1 44 . 1 1 4 4 VAL N N 15 118.71 . . 1 . . . . . . . . 4403 1 45 . 1 1 5 5 LEU H H 1 9.13 . . 1 . . . . . . . . 4403 1 46 . 1 1 5 5 LEU HA H 1 4.56 . . 1 . . . . . . . . 4403 1 47 . 1 1 5 5 LEU HB2 H 1 1.88 . . 2 . . . . . . . . 4403 1 48 . 1 1 5 5 LEU HB3 H 1 1.53 . . 2 . . . . . . . . 4403 1 49 . 1 1 5 5 LEU HG H 1 1.89 . . 1 . . . . . . . . 4403 1 50 . 1 1 5 5 LEU HD11 H 1 1.02 . . 2 . . . . . . . . 4403 1 51 . 1 1 5 5 LEU HD12 H 1 1.02 . . 2 . . . . . . . . 4403 1 52 . 1 1 5 5 LEU HD13 H 1 1.02 . . 2 . . . . . . . . 4403 1 53 . 1 1 5 5 LEU HD21 H 1 1.16 . . 2 . . . . . . . . 4403 1 54 . 1 1 5 5 LEU HD22 H 1 1.16 . . 2 . . . . . . . . 4403 1 55 . 1 1 5 5 LEU HD23 H 1 1.16 . . 2 . . . . . . . . 4403 1 56 . 1 1 5 5 LEU C C 13 177.3 . . 1 . . . . . . . . 4403 1 57 . 1 1 5 5 LEU CA C 13 54.92 . . 1 . . . . . . . . 4403 1 58 . 1 1 5 5 LEU CB C 13 42.56 . . 1 . . . . . . . . 4403 1 59 . 1 1 5 5 LEU CG C 13 26.9 . . 1 . . . . . . . . 4403 1 60 . 1 1 5 5 LEU CD1 C 13 24.18 . . 2 . . . . . . . . 4403 1 61 . 1 1 5 5 LEU CD2 C 13 26.74 . . 2 . . . . . . . . 4403 1 62 . 1 1 5 5 LEU N N 15 125.27 . . 1 . . . . . . . . 4403 1 63 . 1 1 6 6 SER H H 1 9.37 . . 1 . . . . . . . . 4403 1 64 . 1 1 6 6 SER HA H 1 4.51 . . 1 . . . . . . . . 4403 1 65 . 1 1 6 6 SER HB2 H 1 4.01 . . 2 . . . . . . . . 4403 1 66 . 1 1 6 6 SER HB3 H 1 4.29 . . 2 . . . . . . . . 4403 1 67 . 1 1 6 6 SER C C 13 174.45 . . 1 . . . . . . . . 4403 1 68 . 1 1 6 6 SER CA C 13 56.92 . . 1 . . . . . . . . 4403 1 69 . 1 1 6 6 SER CB C 13 65.24 . . 1 . . . . . . . . 4403 1 70 . 1 1 6 6 SER N N 15 122 . . 1 . . . . . . . . 4403 1 71 . 1 1 7 7 ARG H H 1 8.79 . . 1 . . . . . . . . 4403 1 72 . 1 1 7 7 ARG HA H 1 3.78 . . 1 . . . . . . . . 4403 1 73 . 1 1 7 7 ARG HB2 H 1 1.86 . . 2 . . . . . . . . 4403 1 74 . 1 1 7 7 ARG HB3 H 1 1.77 . . 2 . . . . . . . . 4403 1 75 . 1 1 7 7 ARG HG2 H 1 1.61 . . 2 . . . . . . . . 4403 1 76 . 1 1 7 7 ARG HG3 H 1 1.51 . . 2 . . . . . . . . 4403 1 77 . 1 1 7 7 ARG HD2 H 1 3.11 . . 1 . . . . . . . . 4403 1 78 . 1 1 7 7 ARG HD3 H 1 3.11 . . 1 . . . . . . . . 4403 1 79 . 1 1 7 7 ARG C C 13 178.1 . . 1 . . . . . . . . 4403 1 80 . 1 1 7 7 ARG CA C 13 60.08 . . 1 . . . . . . . . 4403 1 81 . 1 1 7 7 ARG CB C 13 29.41 . . 1 . . . . . . . . 4403 1 82 . 1 1 7 7 ARG CG C 13 26.88 . . 1 . . . . . . . . 4403 1 83 . 1 1 7 7 ARG CD C 13 43 . . 1 . . . . . . . . 4403 1 84 . 1 1 7 7 ARG N N 15 122.02 . . 1 . . . . . . . . 4403 1 85 . 1 1 8 8 ALA H H 1 8.25 . . 1 . . . . . . . . 4403 1 86 . 1 1 8 8 ALA HA H 1 4.02 . . 1 . . . . . . . . 4403 1 87 . 1 1 8 8 ALA HB1 H 1 1.32 . . 1 . . . . . . . . 4403 1 88 . 1 1 8 8 ALA HB2 H 1 1.32 . . 1 . . . . . . . . 4403 1 89 . 1 1 8 8 ALA HB3 H 1 1.32 . . 1 . . . . . . . . 4403 1 90 . 1 1 8 8 ALA C C 13 180.26 . . 1 . . . . . . . . 4403 1 91 . 1 1 8 8 ALA CA C 13 54.77 . . 1 . . . . . . . . 4403 1 92 . 1 1 8 8 ALA CB C 13 18.01 . . 1 . . . . . . . . 4403 1 93 . 1 1 8 8 ALA N N 15 121.13 . . 1 . . . . . . . . 4403 1 94 . 1 1 9 9 ASP H H 1 7.88 . . 1 . . . . . . . . 4403 1 95 . 1 1 9 9 ASP HA H 1 4.44 . . 1 . . . . . . . . 4403 1 96 . 1 1 9 9 ASP HB2 H 1 2.98 . . 2 . . . . . . . . 4403 1 97 . 1 1 9 9 ASP HB3 H 1 2.65 . . 2 . . . . . . . . 4403 1 98 . 1 1 9 9 ASP C C 13 177.7 . . 1 . . . . . . . . 4403 1 99 . 1 1 9 9 ASP CA C 13 56.85 . . 1 . . . . . . . . 4403 1 100 . 1 1 9 9 ASP CB C 13 41.59 . . 1 . . . . . . . . 4403 1 101 . 1 1 9 9 ASP N N 15 120.84 . . 1 . . . . . . . . 4403 1 102 . 1 1 10 10 LYS H H 1 8.03 . . 1 . . . . . . . . 4403 1 103 . 1 1 10 10 LYS HA H 1 3.66 . . 1 . . . . . . . . 4403 1 104 . 1 1 10 10 LYS HB2 H 1 1.45 . . 2 . . . . . . . . 4403 1 105 . 1 1 10 10 LYS HB3 H 1 1.02 . . 2 . . . . . . . . 4403 1 106 . 1 1 10 10 LYS HG2 H 1 0.71 . . 2 . . . . . . . . 4403 1 107 . 1 1 10 10 LYS HG3 H 1 0.59 . . 2 . . . . . . . . 4403 1 108 . 1 1 10 10 LYS HD2 H 1 0.91 . . 1 . . . . . . . . 4403 1 109 . 1 1 10 10 LYS HD3 H 1 0.91 . . 1 . . . . . . . . 4403 1 110 . 1 1 10 10 LYS HE2 H 1 2.44 . . 2 . . . . . . . . 4403 1 111 . 1 1 10 10 LYS HE3 H 1 2.04 . . 2 . . . . . . . . 4403 1 112 . 1 1 10 10 LYS C C 13 177.65 . . 1 . . . . . . . . 4403 1 113 . 1 1 10 10 LYS CA C 13 59.98 . . 1 . . . . . . . . 4403 1 114 . 1 1 10 10 LYS CB C 13 31.95 . . 1 . . . . . . . . 4403 1 115 . 1 1 10 10 LYS CG C 13 25.59 . . 1 . . . . . . . . 4403 1 116 . 1 1 10 10 LYS CD C 13 29.48 . . 1 . . . . . . . . 4403 1 117 . 1 1 10 10 LYS CE C 13 41.48 . . 1 . . . . . . . . 4403 1 118 . 1 1 10 10 LYS N N 15 120.8 . . 1 . . . . . . . . 4403 1 119 . 1 1 11 11 GLU H H 1 7.65 . . 1 . . . . . . . . 4403 1 120 . 1 1 11 11 GLU HA H 1 3.79 . . 1 . . . . . . . . 4403 1 121 . 1 1 11 11 GLU HB2 H 1 1.99 . . 1 . . . . . . . . 4403 1 122 . 1 1 11 11 GLU HB3 H 1 1.99 . . 1 . . . . . . . . 4403 1 123 . 1 1 11 11 GLU HG2 H 1 2.33 . . 2 . . . . . . . . 4403 1 124 . 1 1 11 11 GLU HG3 H 1 2.16 . . 2 . . . . . . . . 4403 1 125 . 1 1 11 11 GLU C C 13 179.19 . . 1 . . . . . . . . 4403 1 126 . 1 1 11 11 GLU CA C 13 58.89 . . 1 . . . . . . . . 4403 1 127 . 1 1 11 11 GLU CB C 13 29.12 . . 1 . . . . . . . . 4403 1 128 . 1 1 11 11 GLU CG C 13 36.18 . . 1 . . . . . . . . 4403 1 129 . 1 1 11 11 GLU N N 15 116.89 . . 1 . . . . . . . . 4403 1 130 . 1 1 12 12 ARG H H 1 8.15 . . 1 . . . . . . . . 4403 1 131 . 1 1 12 12 ARG HA H 1 4.16 . . 1 . . . . . . . . 4403 1 132 . 1 1 12 12 ARG HB2 H 1 2.25 . . 2 . . . . . . . . 4403 1 133 . 1 1 12 12 ARG HB3 H 1 1.95 . . 2 . . . . . . . . 4403 1 134 . 1 1 12 12 ARG HG2 H 1 1.39 . . 2 . . . . . . . . 4403 1 135 . 1 1 12 12 ARG HG3 H 1 1.87 . . 2 . . . . . . . . 4403 1 136 . 1 1 12 12 ARG HD2 H 1 3.47 . . 2 . . . . . . . . 4403 1 137 . 1 1 12 12 ARG HD3 H 1 2.92 . . 2 . . . . . . . . 4403 1 138 . 1 1 12 12 ARG HE H 1 8.17 . . 1 . . . . . . . . 4403 1 139 . 1 1 12 12 ARG C C 13 177.42 . . 1 . . . . . . . . 4403 1 140 . 1 1 12 12 ARG CA C 13 57.16 . . 1 . . . . . . . . 4403 1 141 . 1 1 12 12 ARG CB C 13 29.37 . . 1 . . . . . . . . 4403 1 142 . 1 1 12 12 ARG CG C 13 25.91 . . 1 . . . . . . . . 4403 1 143 . 1 1 12 12 ARG CD C 13 42.89 . . 1 . . . . . . . . 4403 1 144 . 1 1 12 12 ARG N N 15 121.03 . . 1 . . . . . . . . 4403 1 145 . 1 1 12 12 ARG NE N 15 96.16 . . 1 . . . . . . . . 4403 1 146 . 1 1 13 13 LEU H H 1 8.73 . . 1 . . . . . . . . 4403 1 147 . 1 1 13 13 LEU HA H 1 4.13 . . 1 . . . . . . . . 4403 1 148 . 1 1 13 13 LEU HB2 H 1 1.68 . . 2 . . . . . . . . 4403 1 149 . 1 1 13 13 LEU HB3 H 1 2.28 . . 2 . . . . . . . . 4403 1 150 . 1 1 13 13 LEU HG H 1 1.58 . . 1 . . . . . . . . 4403 1 151 . 1 1 13 13 LEU HD11 H 1 1.14 . . 2 . . . . . . . . 4403 1 152 . 1 1 13 13 LEU HD12 H 1 1.14 . . 2 . . . . . . . . 4403 1 153 . 1 1 13 13 LEU HD13 H 1 1.14 . . 2 . . . . . . . . 4403 1 154 . 1 1 13 13 LEU HD21 H 1 0.89 . . 2 . . . . . . . . 4403 1 155 . 1 1 13 13 LEU HD22 H 1 0.89 . . 2 . . . . . . . . 4403 1 156 . 1 1 13 13 LEU HD23 H 1 0.89 . . 2 . . . . . . . . 4403 1 157 . 1 1 13 13 LEU C C 13 177.97 . . 5 . . . . . . . . 4403 1 158 . 1 1 13 13 LEU CA C 13 58.25 . . 1 . . . . . . . . 4403 1 159 . 1 1 13 13 LEU CB C 13 40.62 . . 1 . . . . . . . . 4403 1 160 . 1 1 13 13 LEU CG C 13 27.31 . . 1 . . . . . . . . 4403 1 161 . 1 1 13 13 LEU CD1 C 13 22.99 . . 2 . . . . . . . . 4403 1 162 . 1 1 13 13 LEU CD2 C 13 26.12 . . 2 . . . . . . . . 4403 1 163 . 1 1 13 13 LEU N N 15 121.24 . . 1 . . . . . . . . 4403 1 164 . 1 1 14 14 LEU H H 1 8.13 . . 1 . . . . . . . . 4403 1 165 . 1 1 14 14 LEU HA H 1 3.9 . . 1 . . . . . . . . 4403 1 166 . 1 1 14 14 LEU HB2 H 1 1.92 . . 2 . . . . . . . . 4403 1 167 . 1 1 14 14 LEU HB3 H 1 1.67 . . 2 . . . . . . . . 4403 1 168 . 1 1 14 14 LEU HG H 1 1.6 . . 1 . . . . . . . . 4403 1 169 . 1 1 14 14 LEU HD11 H 1 0.92 . . 2 . . . . . . . . 4403 1 170 . 1 1 14 14 LEU HD12 H 1 0.92 . . 2 . . . . . . . . 4403 1 171 . 1 1 14 14 LEU HD13 H 1 0.92 . . 2 . . . . . . . . 4403 1 172 . 1 1 14 14 LEU HD21 H 1 0.89 . . 2 . . . . . . . . 4403 1 173 . 1 1 14 14 LEU HD22 H 1 0.89 . . 2 . . . . . . . . 4403 1 174 . 1 1 14 14 LEU HD23 H 1 0.89 . . 2 . . . . . . . . 4403 1 175 . 1 1 14 14 LEU C C 13 178.55 . . 1 . . . . . . . . 4403 1 176 . 1 1 14 14 LEU CA C 13 58.89 . . 1 . . . . . . . . 4403 1 177 . 1 1 14 14 LEU CB C 13 41.16 . . 1 . . . . . . . . 4403 1 178 . 1 1 14 14 LEU CG C 13 27.31 . . 1 . . . . . . . . 4403 1 179 . 1 1 14 14 LEU CD1 C 13 23.64 . . 2 . . . . . . . . 4403 1 180 . 1 1 14 14 LEU CD2 C 13 26.56 . . 2 . . . . . . . . 4403 1 181 . 1 1 14 14 LEU N N 15 118.2 . . 1 . . . . . . . . 4403 1 182 . 1 1 15 15 GLU H H 1 7.95 . . 1 . . . . . . . . 4403 1 183 . 1 1 15 15 GLU HA H 1 4.03 . . 1 . . . . . . . . 4403 1 184 . 1 1 15 15 GLU HB2 H 1 2.18 . . 2 . . . . . . . . 4403 1 185 . 1 1 15 15 GLU HB3 H 1 2.29 . . 2 . . . . . . . . 4403 1 186 . 1 1 15 15 GLU HG2 H 1 2.09 . . 2 . . . . . . . . 4403 1 187 . 1 1 15 15 GLU HG3 H 1 2.31 . . 2 . . . . . . . . 4403 1 188 . 1 1 15 15 GLU C C 13 178.53 . . 1 . . . . . . . . 4403 1 189 . 1 1 15 15 GLU CA C 13 59.22 . . 1 . . . . . . . . 4403 1 190 . 1 1 15 15 GLU CB C 13 29.59 . . 1 . . . . . . . . 4403 1 191 . 1 1 15 15 GLU CG C 13 35.86 . . 1 . . . . . . . . 4403 1 192 . 1 1 15 15 GLU N N 15 119.45 . . 1 . . . . . . . . 4403 1 193 . 1 1 16 16 LEU H H 1 8.54 . . 1 . . . . . . . . 4403 1 194 . 1 1 16 16 LEU HA H 1 4.07 . . 1 . . . . . . . . 4403 1 195 . 1 1 16 16 LEU HB2 H 1 1.99 . . 2 . . . . . . . . 4403 1 196 . 1 1 16 16 LEU HB3 H 1 1.33 . . 2 . . . . . . . . 4403 1 197 . 1 1 16 16 LEU HG H 1 1.7 . . 1 . . . . . . . . 4403 1 198 . 1 1 16 16 LEU HD11 H 1 0.74 . . 2 . . . . . . . . 4403 1 199 . 1 1 16 16 LEU HD12 H 1 0.74 . . 2 . . . . . . . . 4403 1 200 . 1 1 16 16 LEU HD13 H 1 0.74 . . 2 . . . . . . . . 4403 1 201 . 1 1 16 16 LEU HD21 H 1 0.81 . . 2 . . . . . . . . 4403 1 202 . 1 1 16 16 LEU HD22 H 1 0.81 . . 2 . . . . . . . . 4403 1 203 . 1 1 16 16 LEU HD23 H 1 0.81 . . 2 . . . . . . . . 4403 1 204 . 1 1 16 16 LEU C C 13 178.15 . . 1 . . . . . . . . 4403 1 205 . 1 1 16 16 LEU CA C 13 57.27 . . 1 . . . . . . . . 4403 1 206 . 1 1 16 16 LEU CB C 13 43.54 . . 1 . . . . . . . . 4403 1 207 . 1 1 16 16 LEU CG C 13 27.21 . . 1 . . . . . . . . 4403 1 208 . 1 1 16 16 LEU CD1 C 13 26.34 . . 2 . . . . . . . . 4403 1 209 . 1 1 16 16 LEU CD2 C 13 22.19 . . 2 . . . . . . . . 4403 1 210 . 1 1 16 16 LEU N N 15 121.05 . . 1 . . . . . . . . 4403 1 211 . 1 1 17 17 LEU H H 1 8.16 . . 1 . . . . . . . . 4403 1 212 . 1 1 17 17 LEU HA H 1 3.91 . . 1 . . . . . . . . 4403 1 213 . 1 1 17 17 LEU HB2 H 1 1.78 . . 2 . . . . . . . . 4403 1 214 . 1 1 17 17 LEU HB3 H 1 1.4 . . 2 . . . . . . . . 4403 1 215 . 1 1 17 17 LEU HG H 1 2.03 . . 1 . . . . . . . . 4403 1 216 . 1 1 17 17 LEU HD11 H 1 0.74 . . 2 . . . . . . . . 4403 1 217 . 1 1 17 17 LEU HD12 H 1 0.74 . . 2 . . . . . . . . 4403 1 218 . 1 1 17 17 LEU HD13 H 1 0.74 . . 2 . . . . . . . . 4403 1 219 . 1 1 17 17 LEU HD21 H 1 0.64 . . 2 . . . . . . . . 4403 1 220 . 1 1 17 17 LEU HD22 H 1 0.64 . . 2 . . . . . . . . 4403 1 221 . 1 1 17 17 LEU HD23 H 1 0.64 . . 2 . . . . . . . . 4403 1 222 . 1 1 17 17 LEU C C 13 174.55 . . 1 . . . . . . . . 4403 1 223 . 1 1 17 17 LEU CA C 13 55.11 . . 1 . . . . . . . . 4403 1 224 . 1 1 17 17 LEU CB C 13 41.91 . . 1 . . . . . . . . 4403 1 225 . 1 1 17 17 LEU CG C 13 25.69 . . 1 . . . . . . . . 4403 1 226 . 1 1 17 17 LEU CD1 C 13 26.77 . . 2 . . . . . . . . 4403 1 227 . 1 1 17 17 LEU CD2 C 13 21.47 . . 2 . . . . . . . . 4403 1 228 . 1 1 17 17 LEU N N 15 115.25 . . 1 . . . . . . . . 4403 1 229 . 1 1 18 18 LYS H H 1 7.74 . . 1 . . . . . . . . 4403 1 230 . 1 1 18 18 LYS HA H 1 3.78 . . 1 . . . . . . . . 4403 1 231 . 1 1 18 18 LYS HB2 H 1 1.93 . . 2 . . . . . . . . 4403 1 232 . 1 1 18 18 LYS HB3 H 1 1.79 . . 2 . . . . . . . . 4403 1 233 . 1 1 18 18 LYS HG2 H 1 1.26 . . 1 . . . . . . . . 4403 1 234 . 1 1 18 18 LYS HG3 H 1 1.26 . . 1 . . . . . . . . 4403 1 235 . 1 1 18 18 LYS HD2 H 1 1.63 . . 2 . . . . . . . . 4403 1 236 . 1 1 18 18 LYS HD3 H 1 1.54 . . 2 . . . . . . . . 4403 1 237 . 1 1 18 18 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 4403 1 238 . 1 1 18 18 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 4403 1 239 . 1 1 18 18 LYS C C 13 175.45 . . 1 . . . . . . . . 4403 1 240 . 1 1 18 18 LYS CA C 13 56.41 . . 1 . . . . . . . . 4403 1 241 . 1 1 18 18 LYS CB C 13 29.15 . . 1 . . . . . . . . 4403 1 242 . 1 1 18 18 LYS CG C 13 24.94 . . 1 . . . . . . . . 4403 1 243 . 1 1 18 18 LYS CD C 13 29.17 . . 1 . . . . . . . . 4403 1 244 . 1 1 18 18 LYS CE C 13 42.4 . . 1 . . . . . . . . 4403 1 245 . 1 1 18 18 LYS N N 15 114.79 . . 1 . . . . . . . . 4403 1 246 . 1 1 19 19 LEU H H 1 7.54 . . 1 . . . . . . . . 4403 1 247 . 1 1 19 19 LEU HA H 1 4.84 . . 1 . . . . . . . . 4403 1 248 . 1 1 19 19 LEU HB2 H 1 1.45 . . 2 . . . . . . . . 4403 1 249 . 1 1 19 19 LEU HB3 H 1 1.34 . . 2 . . . . . . . . 4403 1 250 . 1 1 19 19 LEU HG H 1 1.6 . . 1 . . . . . . . . 4403 1 251 . 1 1 19 19 LEU HD11 H 1 0.79 . . 2 . . . . . . . . 4403 1 252 . 1 1 19 19 LEU HD12 H 1 0.79 . . 2 . . . . . . . . 4403 1 253 . 1 1 19 19 LEU HD13 H 1 0.79 . . 2 . . . . . . . . 4403 1 254 . 1 1 19 19 LEU HD21 H 1 0.72 . . 2 . . . . . . . . 4403 1 255 . 1 1 19 19 LEU HD22 H 1 0.72 . . 2 . . . . . . . . 4403 1 256 . 1 1 19 19 LEU HD23 H 1 0.72 . . 2 . . . . . . . . 4403 1 257 . 1 1 19 19 LEU C C 13 174.1 . . 1 . . . . . . . . 4403 1 258 . 1 1 19 19 LEU CA C 13 51.05 . . 1 . . . . . . . . 4403 1 259 . 1 1 19 19 LEU CB C 13 45.05 . . 1 . . . . . . . . 4403 1 260 . 1 1 19 19 LEU CG C 13 25.58 . . 1 . . . . . . . . 4403 1 261 . 1 1 19 19 LEU CD1 C 13 23.85 . . 2 . . . . . . . . 4403 1 262 . 1 1 19 19 LEU CD2 C 13 26.66 . . 2 . . . . . . . . 4403 1 263 . 1 1 19 19 LEU N N 15 118.77 . . 1 . . . . . . . . 4403 1 264 . 1 1 20 20 PRO HA H 1 4.52 . . 1 . . . . . . . . 4403 1 265 . 1 1 20 20 PRO HB2 H 1 2.02 . . 2 . . . . . . . . 4403 1 266 . 1 1 20 20 PRO HB3 H 1 2.34 . . 2 . . . . . . . . 4403 1 267 . 1 1 20 20 PRO HG2 H 1 1.94 . . 2 . . . . . . . . 4403 1 268 . 1 1 20 20 PRO HG3 H 1 2.05 . . 2 . . . . . . . . 4403 1 269 . 1 1 20 20 PRO HD2 H 1 3.88 . . 2 . . . . . . . . 4403 1 270 . 1 1 20 20 PRO HD3 H 1 3.51 . . 2 . . . . . . . . 4403 1 271 . 1 1 20 20 PRO C C 13 177.64 . . 1 . . . . . . . . 4403 1 272 . 1 1 20 20 PRO CA C 13 61.97 . . 1 . . . . . . . . 4403 1 273 . 1 1 20 20 PRO CB C 13 32.31 . . 1 . . . . . . . . 4403 1 274 . 1 1 20 20 PRO CG C 13 27.31 . . 1 . . . . . . . . 4403 1 275 . 1 1 20 20 PRO CD C 13 50.59 . . 1 . . . . . . . . 4403 1 276 . 1 1 21 21 ARG H H 1 8.52 . . 1 . . . . . . . . 4403 1 277 . 1 1 21 21 ARG HA H 1 3.91 . . 1 . . . . . . . . 4403 1 278 . 1 1 21 21 ARG HB2 H 1 1.79 . . 1 . . . . . . . . 4403 1 279 . 1 1 21 21 ARG HB3 H 1 1.79 . . 1 . . . . . . . . 4403 1 280 . 1 1 21 21 ARG HG2 H 1 1.6 . . 1 . . . . . . . . 4403 1 281 . 1 1 21 21 ARG HG3 H 1 1.6 . . 1 . . . . . . . . 4403 1 282 . 1 1 21 21 ARG HD2 H 1 3.14 . . 1 . . . . . . . . 4403 1 283 . 1 1 21 21 ARG HD3 H 1 3.14 . . 1 . . . . . . . . 4403 1 284 . 1 1 21 21 ARG C C 13 178.33 . . 1 . . . . . . . . 4403 1 285 . 1 1 21 21 ARG CA C 13 59.28 . . 1 . . . . . . . . 4403 1 286 . 1 1 21 21 ARG CB C 13 29.81 . . 1 . . . . . . . . 4403 1 287 . 1 1 21 21 ARG CG C 13 27.23 . . 1 . . . . . . . . 4403 1 288 . 1 1 21 21 ARG CD C 13 42.89 . . 1 . . . . . . . . 4403 1 289 . 1 1 21 21 ARG N N 15 121.11 . . 1 . . . . . . . . 4403 1 290 . 1 1 22 22 GLN H H 1 8.89 . . 1 . . . . . . . . 4403 1 291 . 1 1 22 22 GLN HA H 1 4.22 . . 1 . . . . . . . . 4403 1 292 . 1 1 22 22 GLN HB2 H 1 2.09 . . 1 . . . . . . . . 4403 1 293 . 1 1 22 22 GLN HB3 H 1 2.09 . . 1 . . . . . . . . 4403 1 294 . 1 1 22 22 GLN HG2 H 1 2.46 . . 2 . . . . . . . . 4403 1 295 . 1 1 22 22 GLN HG3 H 1 2.38 . . 2 . . . . . . . . 4403 1 296 . 1 1 22 22 GLN C C 13 176.33 . . 1 . . . . . . . . 4403 1 297 . 1 1 22 22 GLN CA C 13 58.11 . . 1 . . . . . . . . 4403 1 298 . 1 1 22 22 GLN CB C 13 27.65 . . 1 . . . . . . . . 4403 1 299 . 1 1 22 22 GLN CG C 13 33.59 . . 1 . . . . . . . . 4403 1 300 . 1 1 22 22 GLN N N 15 117.78 . . 1 . . . . . . . . 4403 1 301 . 1 1 23 23 LEU H H 1 7.87 . . 1 . . . . . . . . 4403 1 302 . 1 1 23 23 LEU HA H 1 4.44 . . 1 . . . . . . . . 4403 1 303 . 1 1 23 23 LEU HB2 H 1 1.7 . . 1 . . . . . . . . 4403 1 304 . 1 1 23 23 LEU HB3 H 1 1.7 . . 1 . . . . . . . . 4403 1 305 . 1 1 23 23 LEU HG H 1 1.58 . . 1 . . . . . . . . 4403 1 306 . 1 1 23 23 LEU HD11 H 1 0.9 . . 2 . . . . . . . . 4403 1 307 . 1 1 23 23 LEU HD12 H 1 0.9 . . 2 . . . . . . . . 4403 1 308 . 1 1 23 23 LEU HD13 H 1 0.9 . . 2 . . . . . . . . 4403 1 309 . 1 1 23 23 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 4403 1 310 . 1 1 23 23 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 4403 1 311 . 1 1 23 23 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 4403 1 312 . 1 1 23 23 LEU C C 13 175.67 . . 1 . . . . . . . . 4403 1 313 . 1 1 23 23 LEU CA C 13 54.14 . . 1 . . . . . . . . 4403 1 314 . 1 1 23 23 LEU CB C 13 41.68 . . 1 . . . . . . . . 4403 1 315 . 1 1 23 23 LEU CG C 13 27.62 . . 1 . . . . . . . . 4403 1 316 . 1 1 23 23 LEU CD1 C 13 25.94 . . 2 . . . . . . . . 4403 1 317 . 1 1 23 23 LEU CD2 C 13 23.11 . . 2 . . . . . . . . 4403 1 318 . 1 1 23 23 LEU N N 15 119.43 . . 1 . . . . . . . . 4403 1 319 . 1 1 24 24 TRP H H 1 7.63 . . 1 . . . . . . . . 4403 1 320 . 1 1 24 24 TRP HA H 1 4.04 . . 1 . . . . . . . . 4403 1 321 . 1 1 24 24 TRP HB2 H 1 3.33 . . 2 . . . . . . . . 4403 1 322 . 1 1 24 24 TRP HB3 H 1 3.17 . . 2 . . . . . . . . 4403 1 323 . 1 1 24 24 TRP HD1 H 1 7.11 . . 1 . . . . . . . . 4403 1 324 . 1 1 24 24 TRP HE1 H 1 10.42 . . 1 . . . . . . . . 4403 1 325 . 1 1 24 24 TRP HE3 H 1 7.3 . . 1 . . . . . . . . 4403 1 326 . 1 1 24 24 TRP HZ2 H 1 7.57 . . 1 . . . . . . . . 4403 1 327 . 1 1 24 24 TRP HZ3 H 1 6.77 . . 1 . . . . . . . . 4403 1 328 . 1 1 24 24 TRP HH2 H 1 6.91 . . 1 . . . . . . . . 4403 1 329 . 1 1 24 24 TRP C C 13 176.86 . . 1 . . . . . . . . 4403 1 330 . 1 1 24 24 TRP CA C 13 59.44 . . 1 . . . . . . . . 4403 1 331 . 1 1 24 24 TRP CB C 13 29.04 . . 1 . . . . . . . . 4403 1 332 . 1 1 24 24 TRP CD1 C 13 127.87 . . 1 . . . . . . . . 4403 1 333 . 1 1 24 24 TRP CE3 C 13 119.7 . . 1 . . . . . . . . 4403 1 334 . 1 1 24 24 TRP CZ2 C 13 114.94 . . 1 . . . . . . . . 4403 1 335 . 1 1 24 24 TRP CZ3 C 13 121.63 . . 1 . . . . . . . . 4403 1 336 . 1 1 24 24 TRP CH2 C 13 124 . . 1 . . . . . . . . 4403 1 337 . 1 1 24 24 TRP N N 15 119.14 . . 1 . . . . . . . . 4403 1 338 . 1 1 24 24 TRP NE1 N 15 130.64 . . 1 . . . . . . . . 4403 1 339 . 1 1 25 25 GLY H H 1 6.67 . . 1 . . . . . . . . 4403 1 340 . 1 1 25 25 GLY HA2 H 1 4.09 . . 2 . . . . . . . . 4403 1 341 . 1 1 25 25 GLY HA3 H 1 3.02 . . 2 . . . . . . . . 4403 1 342 . 1 1 25 25 GLY C C 13 172.75 . . 1 . . . . . . . . 4403 1 343 . 1 1 25 25 GLY CA C 13 44.4 . . 1 . . . . . . . . 4403 1 344 . 1 1 25 25 GLY N N 15 114.31 . . 1 . . . . . . . . 4403 1 345 . 1 1 26 26 ASP H H 1 7.78 . . 1 . . . . . . . . 4403 1 346 . 1 1 26 26 ASP HA H 1 4.69 . . 1 . . . . . . . . 4403 1 347 . 1 1 26 26 ASP HB2 H 1 3.15 . . 2 . . . . . . . . 4403 1 348 . 1 1 26 26 ASP HB3 H 1 2.3 . . 2 . . . . . . . . 4403 1 349 . 1 1 26 26 ASP C C 13 175.04 . . 1 . . . . . . . . 4403 1 350 . 1 1 26 26 ASP CA C 13 52.51 . . 1 . . . . . . . . 4403 1 351 . 1 1 26 26 ASP CB C 13 39.43 . . 1 . . . . . . . . 4403 1 352 . 1 1 26 26 ASP N N 15 122.15 . . 1 . . . . . . . . 4403 1 353 . 1 1 27 27 PHE H H 1 8.48 . . 1 . . . . . . . . 4403 1 354 . 1 1 27 27 PHE HA H 1 3.99 . . 1 . . . . . . . . 4403 1 355 . 1 1 27 27 PHE HB2 H 1 3.15 . . 2 . . . . . . . . 4403 1 356 . 1 1 27 27 PHE HB3 H 1 3.08 . . 2 . . . . . . . . 4403 1 357 . 1 1 27 27 PHE HD1 H 1 7.18 . . 1 . . . . . . . . 4403 1 358 . 1 1 27 27 PHE HD2 H 1 7.18 . . 1 . . . . . . . . 4403 1 359 . 1 1 27 27 PHE HE1 H 1 7.09 . . 1 . . . . . . . . 4403 1 360 . 1 1 27 27 PHE HE2 H 1 7.09 . . 1 . . . . . . . . 4403 1 361 . 1 1 27 27 PHE HZ H 1 7.16 . . 1 . . . . . . . . 4403 1 362 . 1 1 27 27 PHE C C 13 176.97 . . 1 . . . . . . . . 4403 1 363 . 1 1 27 27 PHE CA C 13 62.7 . . 1 . . . . . . . . 4403 1 364 . 1 1 27 27 PHE CB C 13 39.6 . . 1 . . . . . . . . 4403 1 365 . 1 1 27 27 PHE CD1 C 13 131.33 . . 1 . . . . . . . . 4403 1 366 . 1 1 27 27 PHE CD2 C 13 131.33 . . 1 . . . . . . . . 4403 1 367 . 1 1 27 27 PHE CE1 C 13 131.66 . . 1 . . . . . . . . 4403 1 368 . 1 1 27 27 PHE CE2 C 13 131.66 . . 1 . . . . . . . . 4403 1 369 . 1 1 27 27 PHE CZ C 13 129.6 . . 1 . . . . . . . . 4403 1 370 . 1 1 27 27 PHE N N 15 128 . . 1 . . . . . . . . 4403 1 371 . 1 1 28 28 GLY H H 1 8.83 . . 1 . . . . . . . . 4403 1 372 . 1 1 28 28 GLY HA2 H 1 4.03 . . 2 . . . . . . . . 4403 1 373 . 1 1 28 28 GLY HA3 H 1 3.82 . . 2 . . . . . . . . 4403 1 374 . 1 1 28 28 GLY C C 13 177.21 . . 1 . . . . . . . . 4403 1 375 . 1 1 28 28 GLY CA C 13 47.21 . . 1 . . . . . . . . 4403 1 376 . 1 1 28 28 GLY N N 15 105.84 . . 1 . . . . . . . . 4403 1 377 . 1 1 29 29 ARG H H 1 7.99 . . 1 . . . . . . . . 4403 1 378 . 1 1 29 29 ARG HA H 1 4.15 . . 1 . . . . . . . . 4403 1 379 . 1 1 29 29 ARG HB2 H 1 1.73 . . 1 . . . . . . . . 4403 1 380 . 1 1 29 29 ARG HB3 H 1 1.73 . . 1 . . . . . . . . 4403 1 381 . 1 1 29 29 ARG HG2 H 1 1.69 . . 1 . . . . . . . . 4403 1 382 . 1 1 29 29 ARG HG3 H 1 1.69 . . 1 . . . . . . . . 4403 1 383 . 1 1 29 29 ARG HD2 H 1 3.19 . . 1 . . . . . . . . 4403 1 384 . 1 1 29 29 ARG HD3 H 1 3.19 . . 1 . . . . . . . . 4403 1 385 . 1 1 29 29 ARG C C 13 180.07 . . 1 . . . . . . . . 4403 1 386 . 1 1 29 29 ARG CA C 13 57.69 . . 1 . . . . . . . . 4403 1 387 . 1 1 29 29 ARG CB C 13 29.37 . . 1 . . . . . . . . 4403 1 388 . 1 1 29 29 ARG CG C 13 27.64 . . 1 . . . . . . . . 4403 1 389 . 1 1 29 29 ARG CD C 13 41.87 . . 1 . . . . . . . . 4403 1 390 . 1 1 29 29 ARG N N 15 121.81 . . 1 . . . . . . . . 4403 1 391 . 1 1 30 30 MET H H 1 8.79 . . 1 . . . . . . . . 4403 1 392 . 1 1 30 30 MET HA H 1 3.77 . . 1 . . . . . . . . 4403 1 393 . 1 1 30 30 MET HB2 H 1 2.02 . . 1 . . . . . . . . 4403 1 394 . 1 1 30 30 MET HB3 H 1 2.02 . . 1 . . . . . . . . 4403 1 395 . 1 1 30 30 MET HG2 H 1 2.76 . . 2 . . . . . . . . 4403 1 396 . 1 1 30 30 MET HG3 H 1 1.88 . . 2 . . . . . . . . 4403 1 397 . 1 1 30 30 MET C C 13 176.33 . . 1 . . . . . . . . 4403 1 398 . 1 1 30 30 MET CA C 13 59.98 . . 1 . . . . . . . . 4403 1 399 . 1 1 30 30 MET CB C 13 33.48 . . 1 . . . . . . . . 4403 1 400 . 1 1 30 30 MET CG C 13 32.51 . . 1 . . . . . . . . 4403 1 401 . 1 1 30 30 MET CE C 13 16.39 . . 1 . . . . . . . . 4403 1 402 . 1 1 30 30 MET N N 15 121.06 . . 1 . . . . . . . . 4403 1 403 . 1 1 31 31 GLN H H 1 8.99 . . 1 . . . . . . . . 4403 1 404 . 1 1 31 31 GLN HA H 1 3.63 . . 1 . . . . . . . . 4403 1 405 . 1 1 31 31 GLN HB2 H 1 1.89 . . 2 . . . . . . . . 4403 1 406 . 1 1 31 31 GLN HB3 H 1 2.08 . . 2 . . . . . . . . 4403 1 407 . 1 1 31 31 GLN HG2 H 1 2.35 . . 2 . . . . . . . . 4403 1 408 . 1 1 31 31 GLN HG3 H 1 2.3 . . 2 . . . . . . . . 4403 1 409 . 1 1 31 31 GLN C C 13 177.86 . . 1 . . . . . . . . 4403 1 410 . 1 1 31 31 GLN CA C 13 59.07 . . 1 . . . . . . . . 4403 1 411 . 1 1 31 31 GLN CB C 13 28.75 . . 1 . . . . . . . . 4403 1 412 . 1 1 31 31 GLN CG C 13 34.79 . . 1 . . . . . . . . 4403 1 413 . 1 1 31 31 GLN N N 15 119.63 . . 1 . . . . . . . . 4403 1 414 . 1 1 32 32 GLN H H 1 7.67 . . 1 . . . . . . . . 4403 1 415 . 1 1 32 32 GLN HA H 1 3.97 . . 1 . . . . . . . . 4403 1 416 . 1 1 32 32 GLN HB2 H 1 2.14 . . 2 . . . . . . . . 4403 1 417 . 1 1 32 32 GLN HB3 H 1 2.1 . . 2 . . . . . . . . 4403 1 418 . 1 1 32 32 GLN HG2 H 1 2.46 . . 2 . . . . . . . . 4403 1 419 . 1 1 32 32 GLN HG3 H 1 2.36 . . 2 . . . . . . . . 4403 1 420 . 1 1 32 32 GLN C C 13 177.99 . . 5 . . . . . . . . 4403 1 421 . 1 1 32 32 GLN CA C 13 58.68 . . 1 . . . . . . . . 4403 1 422 . 1 1 32 32 GLN CB C 13 28.4 . . 1 . . . . . . . . 4403 1 423 . 1 1 32 32 GLN CG C 13 33.59 . . 1 . . . . . . . . 4403 1 424 . 1 1 32 32 GLN N N 15 119.88 . . 1 . . . . . . . . 4403 1 425 . 1 1 33 33 ALA H H 1 7.65 . . 1 . . . . . . . . 4403 1 426 . 1 1 33 33 ALA HA H 1 4.21 . . 1 . . . . . . . . 4403 1 427 . 1 1 33 33 ALA HB1 H 1 1.62 . . 1 . . . . . . . . 4403 1 428 . 1 1 33 33 ALA HB2 H 1 1.62 . . 1 . . . . . . . . 4403 1 429 . 1 1 33 33 ALA HB3 H 1 1.62 . . 1 . . . . . . . . 4403 1 430 . 1 1 33 33 ALA C C 13 178.62 . . 1 . . . . . . . . 4403 1 431 . 1 1 33 33 ALA CA C 13 54.68 . . 1 . . . . . . . . 4403 1 432 . 1 1 33 33 ALA CB C 13 18.88 . . 1 . . . . . . . . 4403 1 433 . 1 1 33 33 ALA N N 15 122.73 . . 1 . . . . . . . . 4403 1 434 . 1 1 34 34 TYR H H 1 8.49 . . 1 . . . . . . . . 4403 1 435 . 1 1 34 34 TYR HA H 1 3.41 . . 1 . . . . . . . . 4403 1 436 . 1 1 34 34 TYR HB2 H 1 1.66 . . 2 . . . . . . . . 4403 1 437 . 1 1 34 34 TYR HB3 H 1 2.14 . . 2 . . . . . . . . 4403 1 438 . 1 1 34 34 TYR HD1 H 1 6.26 . . 1 . . . . . . . . 4403 1 439 . 1 1 34 34 TYR HD2 H 1 6.26 . . 1 . . . . . . . . 4403 1 440 . 1 1 34 34 TYR HE1 H 1 6.55 . . 1 . . . . . . . . 4403 1 441 . 1 1 34 34 TYR HE2 H 1 6.55 . . 1 . . . . . . . . 4403 1 442 . 1 1 34 34 TYR C C 13 177.69 . . 1 . . . . . . . . 4403 1 443 . 1 1 34 34 TYR CA C 13 61.49 . . 1 . . . . . . . . 4403 1 444 . 1 1 34 34 TYR CB C 13 36.72 . . 1 . . . . . . . . 4403 1 445 . 1 1 34 34 TYR CD1 C 13 131.6 . . 1 . . . . . . . . 4403 1 446 . 1 1 34 34 TYR CD2 C 13 131.6 . . 1 . . . . . . . . 4403 1 447 . 1 1 34 34 TYR CE1 C 13 117.19 . . 1 . . . . . . . . 4403 1 448 . 1 1 34 34 TYR CE2 C 13 117.19 . . 1 . . . . . . . . 4403 1 449 . 1 1 34 34 TYR N N 15 121.69 . . 1 . . . . . . . . 4403 1 450 . 1 1 35 35 LYS H H 1 8.09 . . 1 . . . . . . . . 4403 1 451 . 1 1 35 35 LYS HA H 1 3.41 . . 1 . . . . . . . . 4403 1 452 . 1 1 35 35 LYS HB2 H 1 1.82 . . 1 . . . . . . . . 4403 1 453 . 1 1 35 35 LYS HB3 H 1 1.82 . . 1 . . . . . . . . 4403 1 454 . 1 1 35 35 LYS HG2 H 1 1.37 . . 2 . . . . . . . . 4403 1 455 . 1 1 35 35 LYS HG3 H 1 1.57 . . 2 . . . . . . . . 4403 1 456 . 1 1 35 35 LYS HD2 H 1 1.63 . . 1 . . . . . . . . 4403 1 457 . 1 1 35 35 LYS HD3 H 1 1.63 . . 1 . . . . . . . . 4403 1 458 . 1 1 35 35 LYS HE2 H 1 2.91 . . 1 . . . . . . . . 4403 1 459 . 1 1 35 35 LYS HE3 H 1 2.91 . . 1 . . . . . . . . 4403 1 460 . 1 1 35 35 LYS C C 13 178.44 . . 1 . . . . . . . . 4403 1 461 . 1 1 35 35 LYS CA C 13 59.44 . . 1 . . . . . . . . 4403 1 462 . 1 1 35 35 LYS CB C 13 31.75 . . 1 . . . . . . . . 4403 1 463 . 1 1 35 35 LYS CG C 13 25.26 . . 1 . . . . . . . . 4403 1 464 . 1 1 35 35 LYS CD C 13 29.14 . . 1 . . . . . . . . 4403 1 465 . 1 1 35 35 LYS CE C 13 41.89 . . 1 . . . . . . . . 4403 1 466 . 1 1 35 35 LYS N N 15 121.8 . . 1 . . . . . . . . 4403 1 467 . 1 1 36 36 GLN H H 1 7.69 . . 1 . . . . . . . . 4403 1 468 . 1 1 36 36 GLN HA H 1 3.99 . . 1 . . . . . . . . 4403 1 469 . 1 1 36 36 GLN HB2 H 1 2.03 . . 2 . . . . . . . . 4403 1 470 . 1 1 36 36 GLN HB3 H 1 2.14 . . 2 . . . . . . . . 4403 1 471 . 1 1 36 36 GLN HG2 H 1 2.37 . . 2 . . . . . . . . 4403 1 472 . 1 1 36 36 GLN HG3 H 1 2.42 . . 2 . . . . . . . . 4403 1 473 . 1 1 36 36 GLN C C 13 178.89 . . 5 . . . . . . . . 4403 1 474 . 1 1 36 36 GLN CA C 13 58.55 . . 1 . . . . . . . . 4403 1 475 . 1 1 36 36 GLN CB C 13 28.53 . . 1 . . . . . . . . 4403 1 476 . 1 1 36 36 GLN CG C 13 33.59 . . 1 . . . . . . . . 4403 1 477 . 1 1 36 36 GLN N N 15 117.51 . . 1 . . . . . . . . 4403 1 478 . 1 1 37 37 GLN H H 1 8.89 . . 1 . . . . . . . . 4403 1 479 . 1 1 37 37 GLN HA H 1 3.98 . . 1 . . . . . . . . 4403 1 480 . 1 1 37 37 GLN HB2 H 1 1.67 . . 2 . . . . . . . . 4403 1 481 . 1 1 37 37 GLN HB3 H 1 2.06 . . 2 . . . . . . . . 4403 1 482 . 1 1 37 37 GLN HG2 H 1 2.73 . . 2 . . . . . . . . 4403 1 483 . 1 1 37 37 GLN HG3 H 1 2.5 . . 2 . . . . . . . . 4403 1 484 . 1 1 37 37 GLN C C 13 177.94 . . 1 . . . . . . . . 4403 1 485 . 1 1 37 37 GLN CA C 13 57.38 . . 1 . . . . . . . . 4403 1 486 . 1 1 37 37 GLN CB C 13 27.79 . . 1 . . . . . . . . 4403 1 487 . 1 1 37 37 GLN CG C 13 33.26 . . 1 . . . . . . . . 4403 1 488 . 1 1 37 37 GLN N N 15 117.32 . . 1 . . . . . . . . 4403 1 489 . 1 1 38 38 SER H H 1 8.13 . . 1 . . . . . . . . 4403 1 490 . 1 1 38 38 SER HA H 1 3.77 . . 1 . . . . . . . . 4403 1 491 . 1 1 38 38 SER HB2 H 1 3.55 . . 2 . . . . . . . . 4403 1 492 . 1 1 38 38 SER HB3 H 1 3.25 . . 2 . . . . . . . . 4403 1 493 . 1 1 38 38 SER C C 13 175.43 . . 1 . . . . . . . . 4403 1 494 . 1 1 38 38 SER CA C 13 62.14 . . 1 . . . . . . . . 4403 1 495 . 1 1 38 38 SER CB C 13 62.03 . . 1 . . . . . . . . 4403 1 496 . 1 1 38 38 SER N N 15 114.66 . . 1 . . . . . . . . 4403 1 497 . 1 1 39 39 LEU H H 1 6.73 . . 1 . . . . . . . . 4403 1 498 . 1 1 39 39 LEU HA H 1 4.08 . . 1 . . . . . . . . 4403 1 499 . 1 1 39 39 LEU HB2 H 1 1.5 . . 2 . . . . . . . . 4403 1 500 . 1 1 39 39 LEU HB3 H 1 1.7 . . 2 . . . . . . . . 4403 1 501 . 1 1 39 39 LEU HG H 1 1.64 . . 1 . . . . . . . . 4403 1 502 . 1 1 39 39 LEU HD11 H 1 0.77 . . 2 . . . . . . . . 4403 1 503 . 1 1 39 39 LEU HD12 H 1 0.77 . . 2 . . . . . . . . 4403 1 504 . 1 1 39 39 LEU HD13 H 1 0.77 . . 2 . . . . . . . . 4403 1 505 . 1 1 39 39 LEU HD21 H 1 0.81 . . 2 . . . . . . . . 4403 1 506 . 1 1 39 39 LEU HD22 H 1 0.81 . . 2 . . . . . . . . 4403 1 507 . 1 1 39 39 LEU HD23 H 1 0.81 . . 2 . . . . . . . . 4403 1 508 . 1 1 39 39 LEU C C 13 178.56 . . 1 . . . . . . . . 4403 1 509 . 1 1 39 39 LEU CA C 13 56.95 . . 1 . . . . . . . . 4403 1 510 . 1 1 39 39 LEU CB C 13 42.02 . . 1 . . . . . . . . 4403 1 511 . 1 1 39 39 LEU CG C 13 26.48 . . 1 . . . . . . . . 4403 1 512 . 1 1 39 39 LEU CD1 C 13 23.25 . . 2 . . . . . . . . 4403 1 513 . 1 1 39 39 LEU CD2 C 13 24.82 . . 2 . . . . . . . . 4403 1 514 . 1 1 39 39 LEU N N 15 120.01 . . 1 . . . . . . . . 4403 1 515 . 1 1 40 40 LEU H H 1 7.17 . . 1 . . . . . . . . 4403 1 516 . 1 1 40 40 LEU HA H 1 4.07 . . 1 . . . . . . . . 4403 1 517 . 1 1 40 40 LEU HB2 H 1 1.5 . . 2 . . . . . . . . 4403 1 518 . 1 1 40 40 LEU HB3 H 1 1.7 . . 2 . . . . . . . . 4403 1 519 . 1 1 40 40 LEU HG H 1 1.68 . . 1 . . . . . . . . 4403 1 520 . 1 1 40 40 LEU HD11 H 1 0.81 . . 2 . . . . . . . . 4403 1 521 . 1 1 40 40 LEU HD12 H 1 0.81 . . 2 . . . . . . . . 4403 1 522 . 1 1 40 40 LEU HD13 H 1 0.81 . . 2 . . . . . . . . 4403 1 523 . 1 1 40 40 LEU HD21 H 1 0.83 . . 2 . . . . . . . . 4403 1 524 . 1 1 40 40 LEU HD22 H 1 0.83 . . 2 . . . . . . . . 4403 1 525 . 1 1 40 40 LEU HD23 H 1 0.83 . . 2 . . . . . . . . 4403 1 526 . 1 1 40 40 LEU C C 13 177.72 . . 1 . . . . . . . . 4403 1 527 . 1 1 40 40 LEU CA C 13 56.26 . . 1 . . . . . . . . 4403 1 528 . 1 1 40 40 LEU CB C 13 41.96 . . 1 . . . . . . . . 4403 1 529 . 1 1 40 40 LEU CG C 13 26.55 . . 1 . . . . . . . . 4403 1 530 . 1 1 40 40 LEU CD1 C 13 22.34 . . 2 . . . . . . . . 4403 1 531 . 1 1 40 40 LEU CD2 C 13 25.04 . . 2 . . . . . . . . 4403 1 532 . 1 1 40 40 LEU N N 15 118.01 . . 1 . . . . . . . . 4403 1 533 . 1 1 41 41 LEU H H 1 7.81 . . 1 . . . . . . . . 4403 1 534 . 1 1 41 41 LEU HA H 1 4.2 . . 1 . . . . . . . . 4403 1 535 . 1 1 41 41 LEU HB2 H 1 1.46 . . 2 . . . . . . . . 4403 1 536 . 1 1 41 41 LEU HB3 H 1 1.67 . . 2 . . . . . . . . 4403 1 537 . 1 1 41 41 LEU HG H 1 1.78 . . 1 . . . . . . . . 4403 1 538 . 1 1 41 41 LEU HD11 H 1 0.77 . . 2 . . . . . . . . 4403 1 539 . 1 1 41 41 LEU HD12 H 1 0.77 . . 2 . . . . . . . . 4403 1 540 . 1 1 41 41 LEU HD13 H 1 0.77 . . 2 . . . . . . . . 4403 1 541 . 1 1 41 41 LEU HD21 H 1 0.82 . . 2 . . . . . . . . 4403 1 542 . 1 1 41 41 LEU HD22 H 1 0.82 . . 2 . . . . . . . . 4403 1 543 . 1 1 41 41 LEU HD23 H 1 0.82 . . 2 . . . . . . . . 4403 1 544 . 1 1 41 41 LEU C C 13 175.59 . . 1 . . . . . . . . 4403 1 545 . 1 1 41 41 LEU CA C 13 54.57 . . 1 . . . . . . . . 4403 1 546 . 1 1 41 41 LEU CB C 13 42.02 . . 1 . . . . . . . . 4403 1 547 . 1 1 41 41 LEU CG C 13 26.75 . . 1 . . . . . . . . 4403 1 548 . 1 1 41 41 LEU CD1 C 13 25.8 . . 2 . . . . . . . . 4403 1 549 . 1 1 41 41 LEU CD2 C 13 22.56 . . 2 . . . . . . . . 4403 1 550 . 1 1 41 41 LEU N N 15 117.4 . . 1 . . . . . . . . 4403 1 551 . 1 1 42 42 HIS H H 1 7.21 . . 1 . . . . . . . . 4403 1 552 . 1 1 42 42 HIS HA H 1 4.56 . . 1 . . . . . . . . 4403 1 553 . 1 1 42 42 HIS HB2 H 1 3.06 . . 2 . . . . . . . . 4403 1 554 . 1 1 42 42 HIS HB3 H 1 2.96 . . 2 . . . . . . . . 4403 1 555 . 1 1 42 42 HIS HD2 H 1 6.98 . . 3 . . . . . . . . 4403 1 556 . 1 1 42 42 HIS HE1 H 1 7.96 . . 3 . . . . . . . . 4403 1 557 . 1 1 42 42 HIS C C 13 174.34 . . 1 . . . . . . . . 4403 1 558 . 1 1 42 42 HIS CA C 13 55.63 . . 1 . . . . . . . . 4403 1 559 . 1 1 42 42 HIS CB C 13 29.85 . . 1 . . . . . . . . 4403 1 560 . 1 1 42 42 HIS CD2 C 13 119.61 . . 1 . . . . . . . . 4403 1 561 . 1 1 42 42 HIS CE1 C 13 137.93 . . 1 . . . . . . . . 4403 1 562 . 1 1 42 42 HIS N N 15 120.56 . . 1 . . . . . . . . 4403 1 563 . 1 1 43 43 PRO HA H 1 4.09 . . 1 . . . . . . . . 4403 1 564 . 1 1 43 43 PRO HB2 H 1 1.88 . . 2 . . . . . . . . 4403 1 565 . 1 1 43 43 PRO HB3 H 1 2.09 . . 2 . . . . . . . . 4403 1 566 . 1 1 43 43 PRO HG2 H 1 1.5 . . 2 . . . . . . . . 4403 1 567 . 1 1 43 43 PRO HG3 H 1 1.68 . . 2 . . . . . . . . 4403 1 568 . 1 1 43 43 PRO HD2 H 1 3.3 . . 2 . . . . . . . . 4403 1 569 . 1 1 43 43 PRO HD3 H 1 2.73 . . 2 . . . . . . . . 4403 1 570 . 1 1 43 43 PRO C C 13 177.98 . . 1 . . . . . . . . 4403 1 571 . 1 1 43 43 PRO CA C 13 64.73 . . 1 . . . . . . . . 4403 1 572 . 1 1 43 43 PRO CB C 13 31.72 . . 1 . . . . . . . . 4403 1 573 . 1 1 43 43 PRO CG C 13 27.21 . . 1 . . . . . . . . 4403 1 574 . 1 1 43 43 PRO CD C 13 50.46 . . 1 . . . . . . . . 4403 1 575 . 1 1 44 44 ASP H H 1 10.54 . . 1 . . . . . . . . 4403 1 576 . 1 1 44 44 ASP HA H 1 4.51 . . 1 . . . . . . . . 4403 1 577 . 1 1 44 44 ASP HB2 H 1 2.72 . . 1 . . . . . . . . 4403 1 578 . 1 1 44 44 ASP HB3 H 1 2.72 . . 1 . . . . . . . . 4403 1 579 . 1 1 44 44 ASP C C 13 177 . . 1 . . . . . . . . 4403 1 580 . 1 1 44 44 ASP CA C 13 55.76 . . 1 . . . . . . . . 4403 1 581 . 1 1 44 44 ASP CB C 13 39.97 . . 1 . . . . . . . . 4403 1 582 . 1 1 44 44 ASP N N 15 121.98 . . 1 . . . . . . . . 4403 1 583 . 1 1 45 45 LYS H H 1 7.96 . . 1 . . . . . . . . 4403 1 584 . 1 1 45 45 LYS HA H 1 4.48 . . 1 . . . . . . . . 4403 1 585 . 1 1 45 45 LYS HB2 H 1 2.07 . . 2 . . . . . . . . 4403 1 586 . 1 1 45 45 LYS HB3 H 1 1.84 . . 2 . . . . . . . . 4403 1 587 . 1 1 45 45 LYS HG2 H 1 1.46 . . 2 . . . . . . . . 4403 1 588 . 1 1 45 45 LYS HG3 H 1 1.31 . . 2 . . . . . . . . 4403 1 589 . 1 1 45 45 LYS HD2 H 1 1.6 . . 1 . . . . . . . . 4403 1 590 . 1 1 45 45 LYS HD3 H 1 1.6 . . 1 . . . . . . . . 4403 1 591 . 1 1 45 45 LYS HE2 H 1 2.89 . . 2 . . . . . . . . 4403 1 592 . 1 1 45 45 LYS HE3 H 1 2.84 . . 2 . . . . . . . . 4403 1 593 . 1 1 45 45 LYS C C 13 176.58 . . 1 . . . . . . . . 4403 1 594 . 1 1 45 45 LYS CA C 13 54.67 . . 1 . . . . . . . . 4403 1 595 . 1 1 45 45 LYS CB C 13 32.49 . . 1 . . . . . . . . 4403 1 596 . 1 1 45 45 LYS CG C 13 24.63 . . 1 . . . . . . . . 4403 1 597 . 1 1 45 45 LYS CD C 13 28.33 . . 1 . . . . . . . . 4403 1 598 . 1 1 45 45 LYS CE C 13 42.17 . . 1 . . . . . . . . 4403 1 599 . 1 1 45 45 LYS N N 15 119.17 . . 1 . . . . . . . . 4403 1 600 . 1 1 46 46 GLY H H 1 7.98 . . 1 . . . . . . . . 4403 1 601 . 1 1 46 46 GLY HA2 H 1 3.81 . . 2 . . . . . . . . 4403 1 602 . 1 1 46 46 GLY HA3 H 1 4.24 . . 2 . . . . . . . . 4403 1 603 . 1 1 46 46 GLY C C 13 174.87 . . 1 . . . . . . . . 4403 1 604 . 1 1 46 46 GLY CA C 13 45.16 . . 1 . . . . . . . . 4403 1 605 . 1 1 46 46 GLY N N 15 108.7 . . 1 . . . . . . . . 4403 1 606 . 1 1 47 47 GLY H H 1 7.8 . . 1 . . . . . . . . 4403 1 607 . 1 1 47 47 GLY HA2 H 1 3.61 . . 2 . . . . . . . . 4403 1 608 . 1 1 47 47 GLY HA3 H 1 4.17 . . 2 . . . . . . . . 4403 1 609 . 1 1 47 47 GLY C C 13 173.35 . . 1 . . . . . . . . 4403 1 610 . 1 1 47 47 GLY CA C 13 43.94 . . 1 . . . . . . . . 4403 1 611 . 1 1 47 47 GLY N N 15 108.91 . . 1 . . . . . . . . 4403 1 612 . 1 1 48 48 SER H H 1 8.08 . . 1 . . . . . . . . 4403 1 613 . 1 1 48 48 SER HA H 1 4.58 . . 1 . . . . . . . . 4403 1 614 . 1 1 48 48 SER HB2 H 1 4.06 . . 2 . . . . . . . . 4403 1 615 . 1 1 48 48 SER HB3 H 1 3.85 . . 2 . . . . . . . . 4403 1 616 . 1 1 48 48 SER C C 13 174.25 . . 1 . . . . . . . . 4403 1 617 . 1 1 48 48 SER CA C 13 57 . . 1 . . . . . . . . 4403 1 618 . 1 1 48 48 SER CB C 13 64.52 . . 1 . . . . . . . . 4403 1 619 . 1 1 48 48 SER N N 15 115.58 . . 1 . . . . . . . . 4403 1 620 . 1 1 49 49 HIS HA H 1 4.29 . . 1 . . . . . . . . 4403 1 621 . 1 1 49 49 HIS HB2 H 1 3.13 . . 1 . . . . . . . . 4403 1 622 . 1 1 49 49 HIS HB3 H 1 3.13 . . 1 . . . . . . . . 4403 1 623 . 1 1 49 49 HIS C C 13 176.81 . . 1 . . . . . . . . 4403 1 624 . 1 1 49 49 HIS CA C 13 59.49 . . 1 . . . . . . . . 4403 1 625 . 1 1 49 49 HIS CB C 13 29.91 . . 1 . . . . . . . . 4403 1 626 . 1 1 50 50 ALA H H 1 8.4 . . 1 . . . . . . . . 4403 1 627 . 1 1 50 50 ALA HA H 1 4.08 . . 1 . . . . . . . . 4403 1 628 . 1 1 50 50 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 4403 1 629 . 1 1 50 50 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 4403 1 630 . 1 1 50 50 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 4403 1 631 . 1 1 50 50 ALA C C 13 180.69 . . 1 . . . . . . . . 4403 1 632 . 1 1 50 50 ALA CA C 13 55.11 . . 1 . . . . . . . . 4403 1 633 . 1 1 50 50 ALA CB C 13 18.1 . . 1 . . . . . . . . 4403 1 634 . 1 1 50 50 ALA N N 15 122.12 . . 1 . . . . . . . . 4403 1 635 . 1 1 51 51 LEU H H 1 7.9 . . 1 . . . . . . . . 4403 1 636 . 1 1 51 51 LEU HA H 1 4.25 . . 1 . . . . . . . . 4403 1 637 . 1 1 51 51 LEU HB2 H 1 1.83 . . 2 . . . . . . . . 4403 1 638 . 1 1 51 51 LEU HB3 H 1 1.51 . . 2 . . . . . . . . 4403 1 639 . 1 1 51 51 LEU HG H 1 1.64 . . 1 . . . . . . . . 4403 1 640 . 1 1 51 51 LEU HD11 H 1 0.92 . . 2 . . . . . . . . 4403 1 641 . 1 1 51 51 LEU HD12 H 1 0.92 . . 2 . . . . . . . . 4403 1 642 . 1 1 51 51 LEU HD13 H 1 0.92 . . 2 . . . . . . . . 4403 1 643 . 1 1 51 51 LEU HD21 H 1 0.87 . . 2 . . . . . . . . 4403 1 644 . 1 1 51 51 LEU HD22 H 1 0.87 . . 2 . . . . . . . . 4403 1 645 . 1 1 51 51 LEU HD23 H 1 0.87 . . 2 . . . . . . . . 4403 1 646 . 1 1 51 51 LEU C C 13 178.21 . . 1 . . . . . . . . 4403 1 647 . 1 1 51 51 LEU CA C 13 57.49 . . 1 . . . . . . . . 4403 1 648 . 1 1 51 51 LEU CB C 13 42.35 . . 1 . . . . . . . . 4403 1 649 . 1 1 51 51 LEU CG C 13 27.31 . . 1 . . . . . . . . 4403 1 650 . 1 1 51 51 LEU CD1 C 13 25.04 . . 2 . . . . . . . . 4403 1 651 . 1 1 51 51 LEU CD2 C 13 23.42 . . 2 . . . . . . . . 4403 1 652 . 1 1 51 51 LEU N N 15 120.67 . . 1 . . . . . . . . 4403 1 653 . 1 1 52 52 MET H H 1 7.98 . . 1 . . . . . . . . 4403 1 654 . 1 1 52 52 MET HA H 1 4.03 . . 1 . . . . . . . . 4403 1 655 . 1 1 52 52 MET HB2 H 1 2.06 . . 2 . . . . . . . . 4403 1 656 . 1 1 52 52 MET HB3 H 1 2.14 . . 2 . . . . . . . . 4403 1 657 . 1 1 52 52 MET HG2 H 1 2.48 . . 1 . . . . . . . . 4403 1 658 . 1 1 52 52 MET HG3 H 1 2.48 . . 1 . . . . . . . . 4403 1 659 . 1 1 52 52 MET HE1 H 1 2.02 . . 1 . . . . . . . . 4403 1 660 . 1 1 52 52 MET HE2 H 1 2.02 . . 1 . . . . . . . . 4403 1 661 . 1 1 52 52 MET HE3 H 1 2.02 . . 1 . . . . . . . . 4403 1 662 . 1 1 52 52 MET C C 13 178.35 . . 1 . . . . . . . . 4403 1 663 . 1 1 52 52 MET CA C 13 58.35 . . 1 . . . . . . . . 4403 1 664 . 1 1 52 52 MET CB C 13 32.83 . . 1 . . . . . . . . 4403 1 665 . 1 1 52 52 MET CG C 13 31.7 . . 1 . . . . . . . . 4403 1 666 . 1 1 52 52 MET CE C 13 18.45 . . 1 . . . . . . . . 4403 1 667 . 1 1 52 52 MET N N 15 118.97 . . 1 . . . . . . . . 4403 1 668 . 1 1 53 53 GLN H H 1 8.22 . . 1 . . . . . . . . 4403 1 669 . 1 1 53 53 GLN HA H 1 4.08 . . 1 . . . . . . . . 4403 1 670 . 1 1 53 53 GLN HB2 H 1 2.09 . . 1 . . . . . . . . 4403 1 671 . 1 1 53 53 GLN HB3 H 1 2.09 . . 1 . . . . . . . . 4403 1 672 . 1 1 53 53 GLN HG2 H 1 2.31 . . 2 . . . . . . . . 4403 1 673 . 1 1 53 53 GLN HG3 H 1 2.38 . . 2 . . . . . . . . 4403 1 674 . 1 1 53 53 GLN C C 13 178.5 . . 1 . . . . . . . . 4403 1 675 . 1 1 53 53 GLN CA C 13 58.65 . . 1 . . . . . . . . 4403 1 676 . 1 1 53 53 GLN CB C 13 28.6 . . 1 . . . . . . . . 4403 1 677 . 1 1 53 53 GLN CG C 13 33.82 . . 1 . . . . . . . . 4403 1 678 . 1 1 53 53 GLN N N 15 117.96 . . 1 . . . . . . . . 4403 1 679 . 1 1 54 54 GLU H H 1 8.04 . . 1 . . . . . . . . 4403 1 680 . 1 1 54 54 GLU HA H 1 4.03 . . 1 . . . . . . . . 4403 1 681 . 1 1 54 54 GLU HB2 H 1 2.07 . . 2 . . . . . . . . 4403 1 682 . 1 1 54 54 GLU HB3 H 1 2.23 . . 2 . . . . . . . . 4403 1 683 . 1 1 54 54 GLU HG2 H 1 2.31 . . 2 . . . . . . . . 4403 1 684 . 1 1 54 54 GLU HG3 H 1 2.1 . . 2 . . . . . . . . 4403 1 685 . 1 1 54 54 GLU C C 13 178.28 . . 1 . . . . . . . . 4403 1 686 . 1 1 54 54 GLU CA C 13 59.59 . . 1 . . . . . . . . 4403 1 687 . 1 1 54 54 GLU CB C 13 29.42 . . 1 . . . . . . . . 4403 1 688 . 1 1 54 54 GLU CG C 13 35.8 . . 1 . . . . . . . . 4403 1 689 . 1 1 54 54 GLU N N 15 123.74 . . 1 . . . . . . . . 4403 1 690 . 1 1 55 55 LEU H H 1 8.58 . . 1 . . . . . . . . 4403 1 691 . 1 1 55 55 LEU HA H 1 4.08 . . 1 . . . . . . . . 4403 1 692 . 1 1 55 55 LEU HB2 H 1 2.09 . . 2 . . . . . . . . 4403 1 693 . 1 1 55 55 LEU HB3 H 1 1.46 . . 2 . . . . . . . . 4403 1 694 . 1 1 55 55 LEU HG H 1 1.69 . . 1 . . . . . . . . 4403 1 695 . 1 1 55 55 LEU HD11 H 1 0.74 . . 2 . . . . . . . . 4403 1 696 . 1 1 55 55 LEU HD12 H 1 0.74 . . 2 . . . . . . . . 4403 1 697 . 1 1 55 55 LEU HD13 H 1 0.74 . . 2 . . . . . . . . 4403 1 698 . 1 1 55 55 LEU HD21 H 1 0.99 . . 2 . . . . . . . . 4403 1 699 . 1 1 55 55 LEU HD22 H 1 0.99 . . 2 . . . . . . . . 4403 1 700 . 1 1 55 55 LEU HD23 H 1 0.99 . . 2 . . . . . . . . 4403 1 701 . 1 1 55 55 LEU C C 13 177.88 . . 1 . . . . . . . . 4403 1 702 . 1 1 55 55 LEU CA C 13 58.58 . . 1 . . . . . . . . 4403 1 703 . 1 1 55 55 LEU CB C 13 40.68 . . 1 . . . . . . . . 4403 1 704 . 1 1 55 55 LEU CG C 13 27.5 . . 1 . . . . . . . . 4403 1 705 . 1 1 55 55 LEU CD1 C 13 26 . . 2 . . . . . . . . 4403 1 706 . 1 1 55 55 LEU CD2 C 13 23.3 . . 2 . . . . . . . . 4403 1 707 . 1 1 55 55 LEU N N 15 119.5 . . 1 . . . . . . . . 4403 1 708 . 1 1 56 56 ASN H H 1 8.61 . . 1 . . . . . . . . 4403 1 709 . 1 1 56 56 ASN HA H 1 4.71 . . 1 . . . . . . . . 4403 1 710 . 1 1 56 56 ASN HB2 H 1 3.03 . . 2 . . . . . . . . 4403 1 711 . 1 1 56 56 ASN HB3 H 1 2.89 . . 2 . . . . . . . . 4403 1 712 . 1 1 56 56 ASN HD21 H 1 7.76 . . 2 . . . . . . . . 4403 1 713 . 1 1 56 56 ASN HD22 H 1 7.14 . . 2 . . . . . . . . 4403 1 714 . 1 1 56 56 ASN C C 13 179.02 . . 1 . . . . . . . . 4403 1 715 . 1 1 56 56 ASN CA C 13 56.42 . . 1 . . . . . . . . 4403 1 716 . 1 1 56 56 ASN CB C 13 37.79 . . 1 . . . . . . . . 4403 1 717 . 1 1 56 56 ASN N N 15 116.49 . . 1 . . . . . . . . 4403 1 718 . 1 1 56 56 ASN ND2 N 15 112.82 . . 1 . . . . . . . . 4403 1 719 . 1 1 57 57 SER H H 1 8.47 . . 1 . . . . . . . . 4403 1 720 . 1 1 57 57 SER HA H 1 4.33 . . 1 . . . . . . . . 4403 1 721 . 1 1 57 57 SER HB2 H 1 4.08 . . 1 . . . . . . . . 4403 1 722 . 1 1 57 57 SER HB3 H 1 4.08 . . 1 . . . . . . . . 4403 1 723 . 1 1 57 57 SER C C 13 177.09 . . 1 . . . . . . . . 4403 1 724 . 1 1 57 57 SER CA C 13 61.51 . . 1 . . . . . . . . 4403 1 725 . 1 1 57 57 SER CB C 13 62.79 . . 1 . . . . . . . . 4403 1 726 . 1 1 57 57 SER N N 15 118.37 . . 1 . . . . . . . . 4403 1 727 . 1 1 58 58 LEU H H 1 8.45 . . 1 . . . . . . . . 4403 1 728 . 1 1 58 58 LEU HA H 1 4.19 . . 1 . . . . . . . . 4403 1 729 . 1 1 58 58 LEU HB2 H 1 1.47 . . 2 . . . . . . . . 4403 1 730 . 1 1 58 58 LEU HB3 H 1 2.1 . . 2 . . . . . . . . 4403 1 731 . 1 1 58 58 LEU HG H 1 2.01 . . 1 . . . . . . . . 4403 1 732 . 1 1 58 58 LEU HD11 H 1 0.94 . . 1 . . . . . . . . 4403 1 733 . 1 1 58 58 LEU HD12 H 1 0.94 . . 1 . . . . . . . . 4403 1 734 . 1 1 58 58 LEU HD13 H 1 0.94 . . 1 . . . . . . . . 4403 1 735 . 1 1 58 58 LEU HD21 H 1 0.94 . . 1 . . . . . . . . 4403 1 736 . 1 1 58 58 LEU HD22 H 1 0.94 . . 1 . . . . . . . . 4403 1 737 . 1 1 58 58 LEU HD23 H 1 0.94 . . 1 . . . . . . . . 4403 1 738 . 1 1 58 58 LEU C C 13 178.6 . . 1 . . . . . . . . 4403 1 739 . 1 1 58 58 LEU CA C 13 58.09 . . 1 . . . . . . . . 4403 1 740 . 1 1 58 58 LEU CB C 13 44.66 . . 1 . . . . . . . . 4403 1 741 . 1 1 58 58 LEU CG C 13 26.93 . . 1 . . . . . . . . 4403 1 742 . 1 1 58 58 LEU CD1 C 13 26.56 . . 2 . . . . . . . . 4403 1 743 . 1 1 58 58 LEU CD2 C 13 22.84 . . 2 . . . . . . . . 4403 1 744 . 1 1 58 58 LEU N N 15 123.47 . . 1 . . . . . . . . 4403 1 745 . 1 1 59 59 TRP H H 1 9.26 . . 1 . . . . . . . . 4403 1 746 . 1 1 59 59 TRP HA H 1 4.5 . . 1 . . . . . . . . 4403 1 747 . 1 1 59 59 TRP HB2 H 1 3.06 . . 1 . . . . . . . . 4403 1 748 . 1 1 59 59 TRP HB3 H 1 3.06 . . 1 . . . . . . . . 4403 1 749 . 1 1 59 59 TRP HD1 H 1 6.35 . . 1 . . . . . . . . 4403 1 750 . 1 1 59 59 TRP HE1 H 1 9.64 . . 1 . . . . . . . . 4403 1 751 . 1 1 59 59 TRP HE3 H 1 7.17 . . 1 . . . . . . . . 4403 1 752 . 1 1 59 59 TRP HZ2 H 1 7.11 . . 1 . . . . . . . . 4403 1 753 . 1 1 59 59 TRP HZ3 H 1 6.43 . . 1 . . . . . . . . 4403 1 754 . 1 1 59 59 TRP HH2 H 1 6.32 . . 1 . . . . . . . . 4403 1 755 . 1 1 59 59 TRP C C 13 177.17 . . 1 . . . . . . . . 4403 1 756 . 1 1 59 59 TRP CA C 13 59.5 . . 1 . . . . . . . . 4403 1 757 . 1 1 59 59 TRP CB C 13 30.67 . . 1 . . . . . . . . 4403 1 758 . 1 1 59 59 TRP CD1 C 13 126.5 . . 1 . . . . . . . . 4403 1 759 . 1 1 59 59 TRP CE3 C 13 119.04 . . 1 . . . . . . . . 4403 1 760 . 1 1 59 59 TRP CZ2 C 13 113.38 . . 1 . . . . . . . . 4403 1 761 . 1 1 59 59 TRP CZ3 C 13 121.17 . . 1 . . . . . . . . 4403 1 762 . 1 1 59 59 TRP CH2 C 13 122.21 . . 1 . . . . . . . . 4403 1 763 . 1 1 59 59 TRP N N 15 120.33 . . 1 . . . . . . . . 4403 1 764 . 1 1 59 59 TRP NE1 N 15 128.98 . . 1 . . . . . . . . 4403 1 765 . 1 1 60 60 GLY H H 1 8.23 . . 1 . . . . . . . . 4403 1 766 . 1 1 60 60 GLY HA2 H 1 3.5 . . 2 . . . . . . . . 4403 1 767 . 1 1 60 60 GLY HA3 H 1 3.95 . . 2 . . . . . . . . 4403 1 768 . 1 1 60 60 GLY C C 13 176.61 . . 1 . . . . . . . . 4403 1 769 . 1 1 60 60 GLY CA C 13 47.13 . . 1 . . . . . . . . 4403 1 770 . 1 1 60 60 GLY N N 15 104.48 . . 1 . . . . . . . . 4403 1 771 . 1 1 61 61 THR H H 1 7.88 . . 1 . . . . . . . . 4403 1 772 . 1 1 61 61 THR HA H 1 3.94 . . 1 . . . . . . . . 4403 1 773 . 1 1 61 61 THR HB H 1 4.24 . . 1 . . . . . . . . 4403 1 774 . 1 1 61 61 THR HG21 H 1 1.14 . . 1 . . . . . . . . 4403 1 775 . 1 1 61 61 THR HG22 H 1 1.14 . . 1 . . . . . . . . 4403 1 776 . 1 1 61 61 THR HG23 H 1 1.14 . . 1 . . . . . . . . 4403 1 777 . 1 1 61 61 THR C C 13 175.75 . . 1 . . . . . . . . 4403 1 778 . 1 1 61 61 THR CA C 13 66.55 . . 1 . . . . . . . . 4403 1 779 . 1 1 61 61 THR CB C 13 68.21 . . 1 . . . . . . . . 4403 1 780 . 1 1 61 61 THR CG2 C 13 22.58 . . 1 . . . . . . . . 4403 1 781 . 1 1 61 61 THR N N 15 120.09 . . 1 . . . . . . . . 4403 1 782 . 1 1 62 62 PHE H H 1 8.44 . . 1 . . . . . . . . 4403 1 783 . 1 1 62 62 PHE HA H 1 4.07 . . 1 . . . . . . . . 4403 1 784 . 1 1 62 62 PHE HB2 H 1 3.02 . . 2 . . . . . . . . 4403 1 785 . 1 1 62 62 PHE HB3 H 1 2.94 . . 2 . . . . . . . . 4403 1 786 . 1 1 62 62 PHE HD1 H 1 6.57 . . 1 . . . . . . . . 4403 1 787 . 1 1 62 62 PHE HD2 H 1 6.57 . . 1 . . . . . . . . 4403 1 788 . 1 1 62 62 PHE HE1 H 1 6.69 . . 1 . . . . . . . . 4403 1 789 . 1 1 62 62 PHE HE2 H 1 6.69 . . 1 . . . . . . . . 4403 1 790 . 1 1 62 62 PHE HZ H 1 6.71 . . 1 . . . . . . . . 4403 1 791 . 1 1 62 62 PHE C C 13 175.83 . . 1 . . . . . . . . 4403 1 792 . 1 1 62 62 PHE CA C 13 61.45 . . 1 . . . . . . . . 4403 1 793 . 1 1 62 62 PHE CB C 13 38.86 . . 1 . . . . . . . . 4403 1 794 . 1 1 62 62 PHE CD1 C 13 131.4 . . 1 . . . . . . . . 4403 1 795 . 1 1 62 62 PHE CD2 C 13 131.4 . . 1 . . . . . . . . 4403 1 796 . 1 1 62 62 PHE CE1 C 13 130.85 . . 1 . . . . . . . . 4403 1 797 . 1 1 62 62 PHE CE2 C 13 130.85 . . 1 . . . . . . . . 4403 1 798 . 1 1 62 62 PHE CZ C 13 129.5 . . 1 . . . . . . . . 4403 1 799 . 1 1 62 62 PHE N N 15 124.22 . . 1 . . . . . . . . 4403 1 800 . 1 1 63 63 LYS H H 1 8.39 . . 1 . . . . . . . . 4403 1 801 . 1 1 63 63 LYS HA H 1 3.12 . . 1 . . . . . . . . 4403 1 802 . 1 1 63 63 LYS HB2 H 1 1.35 . . 2 . . . . . . . . 4403 1 803 . 1 1 63 63 LYS HB3 H 1 1.27 . . 2 . . . . . . . . 4403 1 804 . 1 1 63 63 LYS HG2 H 1 0.85 . . 1 . . . . . . . . 4403 1 805 . 1 1 63 63 LYS HG3 H 1 0.85 . . 1 . . . . . . . . 4403 1 806 . 1 1 63 63 LYS HD2 H 1 1.49 . . 1 . . . . . . . . 4403 1 807 . 1 1 63 63 LYS HD3 H 1 1.49 . . 1 . . . . . . . . 4403 1 808 . 1 1 63 63 LYS HE2 H 1 2.8 . . 2 . . . . . . . . 4403 1 809 . 1 1 63 63 LYS HE3 H 1 2.6 . . 2 . . . . . . . . 4403 1 810 . 1 1 63 63 LYS C C 13 177.97 . . 1 . . . . . . . . 4403 1 811 . 1 1 63 63 LYS CA C 13 59.89 . . 1 . . . . . . . . 4403 1 812 . 1 1 63 63 LYS CB C 13 31.32 . . 1 . . . . . . . . 4403 1 813 . 1 1 63 63 LYS CG C 13 24.79 . . 1 . . . . . . . . 4403 1 814 . 1 1 63 63 LYS CD C 13 29.4 . . 1 . . . . . . . . 4403 1 815 . 1 1 63 63 LYS CE C 13 41.25 . . 1 . . . . . . . . 4403 1 816 . 1 1 63 63 LYS N N 15 117.9 . . 1 . . . . . . . . 4403 1 817 . 1 1 64 64 THR H H 1 7.57 . . 1 . . . . . . . . 4403 1 818 . 1 1 64 64 THR HA H 1 3.82 . . 1 . . . . . . . . 4403 1 819 . 1 1 64 64 THR HB H 1 4.24 . . 1 . . . . . . . . 4403 1 820 . 1 1 64 64 THR HG21 H 1 1.2 . . 1 . . . . . . . . 4403 1 821 . 1 1 64 64 THR HG22 H 1 1.2 . . 1 . . . . . . . . 4403 1 822 . 1 1 64 64 THR HG23 H 1 1.2 . . 1 . . . . . . . . 4403 1 823 . 1 1 64 64 THR C C 13 175.26 . . 1 . . . . . . . . 4403 1 824 . 1 1 64 64 THR CA C 13 66 . . 1 . . . . . . . . 4403 1 825 . 1 1 64 64 THR CB C 13 68.62 . . 1 . . . . . . . . 4403 1 826 . 1 1 64 64 THR CG2 C 13 21.92 . . 1 . . . . . . . . 4403 1 827 . 1 1 64 64 THR N N 15 115.07 . . 1 . . . . . . . . 4403 1 828 . 1 1 65 65 GLU H H 1 7.86 . . 1 . . . . . . . . 4403 1 829 . 1 1 65 65 GLU HA H 1 4.03 . . 1 . . . . . . . . 4403 1 830 . 1 1 65 65 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 4403 1 831 . 1 1 65 65 GLU HB3 H 1 2.29 . . 2 . . . . . . . . 4403 1 832 . 1 1 65 65 GLU HG2 H 1 2.15 . . 2 . . . . . . . . 4403 1 833 . 1 1 65 65 GLU HG3 H 1 2.34 . . 2 . . . . . . . . 4403 1 834 . 1 1 65 65 GLU C C 13 178.28 . . 5 . . . . . . . . 4403 1 835 . 1 1 65 65 GLU CA C 13 59.44 . . 1 . . . . . . . . 4403 1 836 . 1 1 65 65 GLU CB C 13 29.69 . . 1 . . . . . . . . 4403 1 837 . 1 1 65 65 GLU CG C 13 36.53 . . 1 . . . . . . . . 4403 1 838 . 1 1 65 65 GLU N N 15 123.11 . . 1 . . . . . . . . 4403 1 839 . 1 1 66 66 VAL H H 1 7.73 . . 1 . . . . . . . . 4403 1 840 . 1 1 66 66 VAL HA H 1 3.44 . . 1 . . . . . . . . 4403 1 841 . 1 1 66 66 VAL HB H 1 1.5 . . 1 . . . . . . . . 4403 1 842 . 1 1 66 66 VAL HG11 H 1 0.27 . . 2 . . . . . . . . 4403 1 843 . 1 1 66 66 VAL HG12 H 1 0.27 . . 2 . . . . . . . . 4403 1 844 . 1 1 66 66 VAL HG13 H 1 0.27 . . 2 . . . . . . . . 4403 1 845 . 1 1 66 66 VAL HG21 H 1 0.34 . . 2 . . . . . . . . 4403 1 846 . 1 1 66 66 VAL HG22 H 1 0.34 . . 2 . . . . . . . . 4403 1 847 . 1 1 66 66 VAL HG23 H 1 0.34 . . 2 . . . . . . . . 4403 1 848 . 1 1 66 66 VAL C C 13 177.66 . . 1 . . . . . . . . 4403 1 849 . 1 1 66 66 VAL CA C 13 65.34 . . 1 . . . . . . . . 4403 1 850 . 1 1 66 66 VAL CB C 13 31.53 . . 1 . . . . . . . . 4403 1 851 . 1 1 66 66 VAL CG1 C 13 21.97 . . 2 . . . . . . . . 4403 1 852 . 1 1 66 66 VAL CG2 C 13 20.72 . . 2 . . . . . . . . 4403 1 853 . 1 1 66 66 VAL N N 15 118.52 . . 1 . . . . . . . . 4403 1 854 . 1 1 67 67 TYR H H 1 7.87 . . 1 . . . . . . . . 4403 1 855 . 1 1 67 67 TYR HA H 1 4.02 . . 1 . . . . . . . . 4403 1 856 . 1 1 67 67 TYR HB2 H 1 2.95 . . 2 . . . . . . . . 4403 1 857 . 1 1 67 67 TYR HB3 H 1 2.87 . . 2 . . . . . . . . 4403 1 858 . 1 1 67 67 TYR HD1 H 1 6.91 . . 1 . . . . . . . . 4403 1 859 . 1 1 67 67 TYR HD2 H 1 6.91 . . 1 . . . . . . . . 4403 1 860 . 1 1 67 67 TYR HE1 H 1 6.59 . . 1 . . . . . . . . 4403 1 861 . 1 1 67 67 TYR HE2 H 1 6.59 . . 1 . . . . . . . . 4403 1 862 . 1 1 67 67 TYR C C 13 177.18 . . 1 . . . . . . . . 4403 1 863 . 1 1 67 67 TYR CA C 13 60.07 . . 1 . . . . . . . . 4403 1 864 . 1 1 67 67 TYR CB C 13 37.61 . . 1 . . . . . . . . 4403 1 865 . 1 1 67 67 TYR CD1 C 13 132.66 . . 1 . . . . . . . . 4403 1 866 . 1 1 67 67 TYR CD2 C 13 132.66 . . 1 . . . . . . . . 4403 1 867 . 1 1 67 67 TYR CE1 C 13 117.85 . . 1 . . . . . . . . 4403 1 868 . 1 1 67 67 TYR CE2 C 13 117.85 . . 1 . . . . . . . . 4403 1 869 . 1 1 67 67 TYR N N 15 120.88 . . 1 . . . . . . . . 4403 1 870 . 1 1 68 68 ASN H H 1 8.14 . . 1 . . . . . . . . 4403 1 871 . 1 1 68 68 ASN HA H 1 4.39 . . 1 . . . . . . . . 4403 1 872 . 1 1 68 68 ASN HB2 H 1 2.76 . . 1 . . . . . . . . 4403 1 873 . 1 1 68 68 ASN HB3 H 1 2.76 . . 1 . . . . . . . . 4403 1 874 . 1 1 68 68 ASN C C 13 176.58 . . 1 . . . . . . . . 4403 1 875 . 1 1 68 68 ASN CA C 13 54.76 . . 1 . . . . . . . . 4403 1 876 . 1 1 68 68 ASN CB C 13 38.06 . . 1 . . . . . . . . 4403 1 877 . 1 1 68 68 ASN N N 15 118.45 . . 1 . . . . . . . . 4403 1 878 . 1 1 69 69 LEU H H 1 7.82 . . 1 . . . . . . . . 4403 1 879 . 1 1 69 69 LEU HA H 1 4.14 . . 1 . . . . . . . . 4403 1 880 . 1 1 69 69 LEU HB2 H 1 1.54 . . 2 . . . . . . . . 4403 1 881 . 1 1 69 69 LEU HB3 H 1 1.7 . . 2 . . . . . . . . 4403 1 882 . 1 1 69 69 LEU HG H 1 1.65 . . 1 . . . . . . . . 4403 1 883 . 1 1 69 69 LEU HD11 H 1 0.84 . . 2 . . . . . . . . 4403 1 884 . 1 1 69 69 LEU HD12 H 1 0.84 . . 2 . . . . . . . . 4403 1 885 . 1 1 69 69 LEU HD13 H 1 0.84 . . 2 . . . . . . . . 4403 1 886 . 1 1 69 69 LEU HD21 H 1 0.8 . . 2 . . . . . . . . 4403 1 887 . 1 1 69 69 LEU HD22 H 1 0.8 . . 2 . . . . . . . . 4403 1 888 . 1 1 69 69 LEU HD23 H 1 0.8 . . 2 . . . . . . . . 4403 1 889 . 1 1 69 69 LEU C C 13 178.08 . . 1 . . . . . . . . 4403 1 890 . 1 1 69 69 LEU CA C 13 56.52 . . 1 . . . . . . . . 4403 1 891 . 1 1 69 69 LEU CB C 13 41.86 . . 1 . . . . . . . . 4403 1 892 . 1 1 69 69 LEU CG C 13 26.69 . . 1 . . . . . . . . 4403 1 893 . 1 1 69 69 LEU CD1 C 13 24.96 . . 2 . . . . . . . . 4403 1 894 . 1 1 69 69 LEU CD2 C 13 23.32 . . 2 . . . . . . . . 4403 1 895 . 1 1 69 69 LEU N N 15 121.02 . . 1 . . . . . . . . 4403 1 896 . 1 1 70 70 ARG H H 1 7.86 . . 1 . . . . . . . . 4403 1 897 . 1 1 70 70 ARG HA H 1 4.06 . . 1 . . . . . . . . 4403 1 898 . 1 1 70 70 ARG HB2 H 1 1.73 . . 1 . . . . . . . . 4403 1 899 . 1 1 70 70 ARG HB3 H 1 1.73 . . 1 . . . . . . . . 4403 1 900 . 1 1 70 70 ARG HG2 H 1 1.5 . . 2 . . . . . . . . 4403 1 901 . 1 1 70 70 ARG HG3 H 1 1.55 . . 2 . . . . . . . . 4403 1 902 . 1 1 70 70 ARG HD2 H 1 2.97 . . 1 . . . . . . . . 4403 1 903 . 1 1 70 70 ARG HD3 H 1 2.97 . . 1 . . . . . . . . 4403 1 904 . 1 1 70 70 ARG C C 13 176.99 . . 1 . . . . . . . . 4403 1 905 . 1 1 70 70 ARG CA C 13 57.16 . . 1 . . . . . . . . 4403 1 906 . 1 1 70 70 ARG CB C 13 29.8 . . 1 . . . . . . . . 4403 1 907 . 1 1 70 70 ARG CG C 13 27.1 . . 1 . . . . . . . . 4403 1 908 . 1 1 70 70 ARG CD C 13 43.21 . . 1 . . . . . . . . 4403 1 909 . 1 1 70 70 ARG N N 15 118.92 . . 1 . . . . . . . . 4403 1 910 . 1 1 71 71 MET H H 1 7.88 . . 1 . . . . . . . . 4403 1 911 . 1 1 71 71 MET HA H 1 4.29 . . 1 . . . . . . . . 4403 1 912 . 1 1 71 71 MET HB2 H 1 1.94 . . 2 . . . . . . . . 4403 1 913 . 1 1 71 71 MET HB3 H 1 1.86 . . 2 . . . . . . . . 4403 1 914 . 1 1 71 71 MET HG2 H 1 2.28 . . 2 . . . . . . . . 4403 1 915 . 1 1 71 71 MET HG3 H 1 2.37 . . 2 . . . . . . . . 4403 1 916 . 1 1 71 71 MET HE1 H 1 1.96 . . 5 . . . . . . . . 4403 1 917 . 1 1 71 71 MET HE2 H 1 1.96 . . 5 . . . . . . . . 4403 1 918 . 1 1 71 71 MET HE3 H 1 1.96 . . 5 . . . . . . . . 4403 1 919 . 1 1 71 71 MET C C 13 176.05 . . 1 . . . . . . . . 4403 1 920 . 1 1 71 71 MET CA C 13 55.74 . . 1 . . . . . . . . 4403 1 921 . 1 1 71 71 MET CB C 13 32.34 . . 1 . . . . . . . . 4403 1 922 . 1 1 71 71 MET CG C 13 31.98 . . 1 . . . . . . . . 4403 1 923 . 1 1 71 71 MET CE C 13 16.82 . . 5 . . . . . . . . 4403 1 924 . 1 1 71 71 MET N N 15 118.53 . . 1 . . . . . . . . 4403 1 925 . 1 1 72 72 ASN H H 1 8.11 . . 1 . . . . . . . . 4403 1 926 . 1 1 72 72 ASN HA H 1 4.61 . . 1 . . . . . . . . 4403 1 927 . 1 1 72 72 ASN HB2 H 1 2.68 . . 2 . . . . . . . . 4403 1 928 . 1 1 72 72 ASN HB3 H 1 2.79 . . 2 . . . . . . . . 4403 1 929 . 1 1 72 72 ASN HD21 H 1 7.5 . . 2 . . . . . . . . 4403 1 930 . 1 1 72 72 ASN HD22 H 1 6.84 . . 2 . . . . . . . . 4403 1 931 . 1 1 72 72 ASN C C 13 175.13 . . 1 . . . . . . . . 4403 1 932 . 1 1 72 72 ASN CA C 13 53.35 . . 1 . . . . . . . . 4403 1 933 . 1 1 72 72 ASN CB C 13 38.29 . . 1 . . . . . . . . 4403 1 934 . 1 1 72 72 ASN N N 15 118.84 . . 1 . . . . . . . . 4403 1 935 . 1 1 72 72 ASN ND2 N 15 113.06 . . 1 . . . . . . . . 4403 1 936 . 1 1 73 73 LEU H H 1 8.1 . . 1 . . . . . . . . 4403 1 937 . 1 1 73 73 LEU HA H 1 4.25 . . 1 . . . . . . . . 4403 1 938 . 1 1 73 73 LEU HB2 H 1 1.53 . . 1 . . . . . . . . 4403 1 939 . 1 1 73 73 LEU HB3 H 1 1.53 . . 1 . . . . . . . . 4403 1 940 . 1 1 73 73 LEU HG H 1 1.53 . . 1 . . . . . . . . 4403 1 941 . 1 1 73 73 LEU HD11 H 1 0.74 . . 2 . . . . . . . . 4403 1 942 . 1 1 73 73 LEU HD12 H 1 0.74 . . 2 . . . . . . . . 4403 1 943 . 1 1 73 73 LEU HD13 H 1 0.74 . . 2 . . . . . . . . 4403 1 944 . 1 1 73 73 LEU HD21 H 1 0.8 . . 2 . . . . . . . . 4403 1 945 . 1 1 73 73 LEU HD22 H 1 0.8 . . 2 . . . . . . . . 4403 1 946 . 1 1 73 73 LEU HD23 H 1 0.8 . . 2 . . . . . . . . 4403 1 947 . 1 1 73 73 LEU C C 13 177.7 . . 1 . . . . . . . . 4403 1 948 . 1 1 73 73 LEU CA C 13 55.37 . . 1 . . . . . . . . 4403 1 949 . 1 1 73 73 LEU CB C 13 41.99 . . 1 . . . . . . . . 4403 1 950 . 1 1 73 73 LEU CG C 13 26.63 . . 1 . . . . . . . . 4403 1 951 . 1 1 73 73 LEU CD1 C 13 23.05 . . 2 . . . . . . . . 4403 1 952 . 1 1 73 73 LEU CD2 C 13 24.98 . . 2 . . . . . . . . 4403 1 953 . 1 1 73 73 LEU N N 15 122.27 . . 1 . . . . . . . . 4403 1 954 . 1 1 74 74 GLY H H 1 8.27 . . 1 . . . . . . . . 4403 1 955 . 1 1 74 74 GLY HA2 H 1 3.9 . . 1 . . . . . . . . 4403 1 956 . 1 1 74 74 GLY HA3 H 1 3.9 . . 1 . . . . . . . . 4403 1 957 . 1 1 74 74 GLY C C 13 174.48 . . 1 . . . . . . . . 4403 1 958 . 1 1 74 74 GLY CA C 13 45.17 . . 1 . . . . . . . . 4403 1 959 . 1 1 74 74 GLY N N 15 109.03 . . 1 . . . . . . . . 4403 1 960 . 1 1 75 75 GLY H H 1 8.18 . . 1 . . . . . . . . 4403 1 961 . 1 1 75 75 GLY HA2 H 1 3.98 . . 1 . . . . . . . . 4403 1 962 . 1 1 75 75 GLY HA3 H 1 3.98 . . 1 . . . . . . . . 4403 1 963 . 1 1 75 75 GLY C C 13 174.38 . . 1 . . . . . . . . 4403 1 964 . 1 1 75 75 GLY CA C 13 45.09 . . 1 . . . . . . . . 4403 1 965 . 1 1 75 75 GLY N N 15 108.96 . . 1 . . . . . . . . 4403 1 966 . 1 1 76 76 THR H H 1 8.11 . . 1 . . . . . . . . 4403 1 967 . 1 1 76 76 THR HA H 1 4.27 . . 1 . . . . . . . . 4403 1 968 . 1 1 76 76 THR HB H 1 4.19 . . 1 . . . . . . . . 4403 1 969 . 1 1 76 76 THR HG21 H 1 1.13 . . 1 . . . . . . . . 4403 1 970 . 1 1 76 76 THR HG22 H 1 1.13 . . 1 . . . . . . . . 4403 1 971 . 1 1 76 76 THR HG23 H 1 1.13 . . 1 . . . . . . . . 4403 1 972 . 1 1 76 76 THR C C 13 175.1 . . 1 . . . . . . . . 4403 1 973 . 1 1 76 76 THR CA C 13 61.98 . . 1 . . . . . . . . 4403 1 974 . 1 1 76 76 THR CB C 13 69.58 . . 1 . . . . . . . . 4403 1 975 . 1 1 76 76 THR CG2 C 13 21.35 . . 1 . . . . . . . . 4403 1 976 . 1 1 76 76 THR N N 15 113.19 . . 1 . . . . . . . . 4403 1 977 . 1 1 77 77 GLY H H 1 8.41 . . 1 . . . . . . . . 4403 1 978 . 1 1 77 77 GLY HA2 H 1 3.85 . . 1 . . . . . . . . 4403 1 979 . 1 1 77 77 GLY HA3 H 1 3.85 . . 1 . . . . . . . . 4403 1 980 . 1 1 77 77 GLY C C 13 173.75 . . 1 . . . . . . . . 4403 1 981 . 1 1 77 77 GLY CA C 13 45.09 . . 1 . . . . . . . . 4403 1 982 . 1 1 77 77 GLY N N 15 111.15 . . 1 . . . . . . . . 4403 1 983 . 1 1 78 78 PHE H H 1 8.04 . . 1 . . . . . . . . 4403 1 984 . 1 1 78 78 PHE HA H 1 4.48 . . 1 . . . . . . . . 4403 1 985 . 1 1 78 78 PHE HB2 H 1 2.99 . . 2 . . . . . . . . 4403 1 986 . 1 1 78 78 PHE HB3 H 1 2.9 . . 2 . . . . . . . . 4403 1 987 . 1 1 78 78 PHE C C 13 175.49 . . 1 . . . . . . . . 4403 1 988 . 1 1 78 78 PHE CA C 13 57.72 . . 1 . . . . . . . . 4403 1 989 . 1 1 78 78 PHE CB C 13 39.43 . . 1 . . . . . . . . 4403 1 990 . 1 1 78 78 PHE N N 15 120.38 . . 1 . . . . . . . . 4403 1 991 . 1 1 79 79 GLN H H 1 8.23 . . 1 . . . . . . . . 4403 1 992 . 1 1 79 79 GLN HA H 1 4.16 . . 1 . . . . . . . . 4403 1 993 . 1 1 79 79 GLN HB2 H 1 1.85 . . 2 . . . . . . . . 4403 1 994 . 1 1 79 79 GLN HB3 H 1 1.77 . . 2 . . . . . . . . 4403 1 995 . 1 1 79 79 GLN HG2 H 1 2.14 . . 1 . . . . . . . . 4403 1 996 . 1 1 79 79 GLN HG3 H 1 2.14 . . 1 . . . . . . . . 4403 1 997 . 1 1 79 79 GLN C C 13 175.15 . . 1 . . . . . . . . 4403 1 998 . 1 1 79 79 GLN CA C 13 55.59 . . 1 . . . . . . . . 4403 1 999 . 1 1 79 79 GLN CB C 13 29.15 . . 1 . . . . . . . . 4403 1 1000 . 1 1 79 79 GLN CG C 13 33.59 . . 1 . . . . . . . . 4403 1 1001 . 1 1 79 79 GLN N N 15 121.96 . . 1 . . . . . . . . 4403 1 1002 . 1 1 80 80 HIS H H 1 8.21 . . 1 . . . . . . . . 4403 1 1003 . 1 1 80 80 HIS HA H 1 4.56 . . 1 . . . . . . . . 4403 1 1004 . 1 1 80 80 HIS C C 13 174.34 . . 1 . . . . . . . . 4403 1 1005 . 1 1 80 80 HIS CA C 13 55.6 . . 1 . . . . . . . . 4403 1 1006 . 1 1 80 80 HIS CB C 13 29.85 . . 1 . . . . . . . . 4403 1 1007 . 1 1 80 80 HIS N N 15 120.47 . . 1 . . . . . . . . 4403 1 1008 . 1 1 81 81 HIS H H 1 8.14 . . 1 . . . . . . . . 4403 1 1009 . 1 1 81 81 HIS HA H 1 4.38 . . 1 . . . . . . . . 4403 1 1010 . 1 1 81 81 HIS HB2 H 1 3.16 . . 2 . . . . . . . . 4403 1 1011 . 1 1 81 81 HIS HB3 H 1 3.04 . . 2 . . . . . . . . 4403 1 1012 . 1 1 81 81 HIS C C 13 178.78 . . 1 . . . . . . . . 4403 1 1013 . 1 1 81 81 HIS CA C 13 57.06 . . 1 . . . . . . . . 4403 1 1014 . 1 1 81 81 HIS CB C 13 29.75 . . 1 . . . . . . . . 4403 1 1015 . 1 1 81 81 HIS N N 15 125.82 . . 1 . . . . . . . . 4403 1 stop_ save_