data_25405 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25405 _Entry.Title ; Solution structure of the C-terminal domain of MvaT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-25 _Entry.Accession_date 2014-12-25 _Entry.Last_release_date 2015-06-29 _Entry.Original_release_date 2015-06-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Pengfei Ding . . . 25405 2 Bin Xia . . . 25405 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25405 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 25405 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25405 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 207 25405 '15N chemical shifts' 50 25405 '1H chemical shifts' 331 25405 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 . . 2015-06-29 . original BMRB . 25405 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MXE 'BMRB Entry Tracking System' 25405 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25405 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26068099 _Citation.Full_citation . _Citation.Title ; A Novel AT-Rich DNA Recognition Mechanism for Bacterial Xenogeneic Silencer MvaT ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plos Pathog.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _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 e1004967 _Citation.Page_last e1004967 _Citation.Year 2015 _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 Pengfei Ding . . . 25405 1 2 Kirsty McFarland . A. . 25405 1 3 Shujuan Jin . . . 25405 1 4 Grace Tong . . . 25405 1 5 Bo Duan . . . 25405 1 6 Ally Yang . . . 25405 1 7 Timothy Hughes . R. . 25405 1 8 Jun Liu . . . 25405 1 9 Simon Dove . L. . 25405 1 10 William Navarre . W. . 25405 1 11 Bin Xia . . . 25405 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25405 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of MvaT' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C-terminal domain of MvaT' 1 $MvaT A . yes native no no . . . 25405 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MvaT _Entity.Sf_category entity _Entity.Sf_framecode MvaT _Entity.Entry_ID 25405 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MvaT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKRARKVKQYKNPHTGEVIE TKGGNHKTLKEWKAKWGPEA VESWATLLGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5352.173 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25407 . MvaT . . . . . 100.00 55 100.00 100.00 9.60e-30 . . . . 25405 1 2 no PDB 2MXE . "Solution Structure Of The C-terminal Domain Of Mvat" . . . . . 100.00 55 100.00 100.00 9.60e-30 . . . . 25405 1 3 no PDB 2MXF . "Structure Of The Dna Complex Of The C-terminal Domain Of Mvat" . . . . . 100.00 55 100.00 100.00 9.60e-30 . . . . 25405 1 4 no DBJ BAK88160 . "transcriptional regulator [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 5 no DBJ BAP21250 . "transcriptional regulator [Pseudomonas aeruginosa]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 6 no DBJ BAP52811 . "transcriptional regulator [Pseudomonas aeruginosa]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 7 no DBJ BAQ41953 . "transcriptional regulator [Pseudomonas aeruginosa]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 8 no DBJ BAR69621 . "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 9 no EMBL CAW29447 . "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa LESB58]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 10 no EMBL CCQ87551 . "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa 18A]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 11 no EMBL CDH72901 . "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa MH38]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 12 no EMBL CDH79198 . "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa MH27]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 13 no EMBL CDI92830 . "transcriptional regulator MvaT [Pseudomonas aeruginosa PA38182]" . . . . . 67.27 158 97.30 97.30 2.34e-16 . . . . 25405 1 14 no GB AAG07703 . "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa PAO1]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 15 no GB AAP33788 . "MvaT [Pseudomonas aeruginosa PAO1]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 16 no GB ABJ13585 . "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 17 no GB ABR84836 . "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa PA7]" . . . . . 87.27 125 100.00 100.00 2.51e-25 . . . . 25405 1 18 no GB AEO76886 . "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa M18]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 19 no REF NP_253005 . "transcriptional regulator MvaT [Pseudomonas aeruginosa PAO1]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 20 no REF WP_003093888 . "MULTISPECIES: transcriptional regulator MvaT [Pseudomonas]" . . . . . 87.27 124 100.00 100.00 2.22e-25 . . . . 25405 1 21 no REF WP_003125172 . "H-NS histone [Pseudomonas aeruginosa]" . . . . . 87.27 124 97.92 97.92 5.70e-24 . . . . 25405 1 22 no REF WP_012077126 . "H-NS histone [Pseudomonas aeruginosa]" . . . . . 87.27 125 100.00 100.00 2.51e-25 . . . . 25405 1 23 no REF WP_015478773 . "transcriptional regulator MvaT, P16 subunit [Pseudomonas denitrificans]" . . . . . 87.27 124 97.92 97.92 2.60e-24 . . . . 25405 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 76 MET . 25405 1 2 77 LYS . 25405 1 3 78 ARG . 25405 1 4 79 ALA . 25405 1 5 80 ARG . 25405 1 6 81 LYS . 25405 1 7 82 VAL . 25405 1 8 83 LYS . 25405 1 9 84 GLN . 25405 1 10 85 TYR . 25405 1 11 86 LYS . 25405 1 12 87 ASN . 25405 1 13 88 PRO . 25405 1 14 89 HIS . 25405 1 15 90 THR . 25405 1 16 91 GLY . 25405 1 17 92 GLU . 25405 1 18 93 VAL . 25405 1 19 94 ILE . 25405 1 20 95 GLU . 25405 1 21 96 THR . 25405 1 22 97 LYS . 25405 1 23 98 GLY . 25405 1 24 99 GLY . 25405 1 25 100 ASN . 25405 1 26 101 HIS . 25405 1 27 102 LYS . 25405 1 28 103 THR . 25405 1 29 104 LEU . 25405 1 30 105 LYS . 25405 1 31 106 GLU . 25405 1 32 107 TRP . 25405 1 33 108 LYS . 25405 1 34 109 ALA . 25405 1 35 110 LYS . 25405 1 36 111 TRP . 25405 1 37 112 GLY . 25405 1 38 113 PRO . 25405 1 39 114 GLU . 25405 1 40 115 ALA . 25405 1 41 116 VAL . 25405 1 42 117 GLU . 25405 1 43 118 SER . 25405 1 44 119 TRP . 25405 1 45 120 ALA . 25405 1 46 121 THR . 25405 1 47 122 LEU . 25405 1 48 123 LEU . 25405 1 49 124 GLY . 25405 1 50 125 HIS . 25405 1 51 126 HIS . 25405 1 52 127 HIS . 25405 1 53 128 HIS . 25405 1 54 129 HIS . 25405 1 55 130 HIS . 25405 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 25405 1 . LYS 2 2 25405 1 . ARG 3 3 25405 1 . ALA 4 4 25405 1 . ARG 5 5 25405 1 . LYS 6 6 25405 1 . VAL 7 7 25405 1 . LYS 8 8 25405 1 . GLN 9 9 25405 1 . TYR 10 10 25405 1 . LYS 11 11 25405 1 . ASN 12 12 25405 1 . PRO 13 13 25405 1 . HIS 14 14 25405 1 . THR 15 15 25405 1 . GLY 16 16 25405 1 . GLU 17 17 25405 1 . VAL 18 18 25405 1 . ILE 19 19 25405 1 . GLU 20 20 25405 1 . THR 21 21 25405 1 . LYS 22 22 25405 1 . GLY 23 23 25405 1 . GLY 24 24 25405 1 . ASN 25 25 25405 1 . HIS 26 26 25405 1 . LYS 27 27 25405 1 . THR 28 28 25405 1 . LEU 29 29 25405 1 . LYS 30 30 25405 1 . GLU 31 31 25405 1 . TRP 32 32 25405 1 . LYS 33 33 25405 1 . ALA 34 34 25405 1 . LYS 35 35 25405 1 . TRP 36 36 25405 1 . GLY 37 37 25405 1 . PRO 38 38 25405 1 . GLU 39 39 25405 1 . ALA 40 40 25405 1 . VAL 41 41 25405 1 . GLU 42 42 25405 1 . SER 43 43 25405 1 . TRP 44 44 25405 1 . ALA 45 45 25405 1 . THR 46 46 25405 1 . LEU 47 47 25405 1 . LEU 48 48 25405 1 . GLY 49 49 25405 1 . HIS 50 50 25405 1 . HIS 51 51 25405 1 . HIS 52 52 25405 1 . HIS 53 53 25405 1 . HIS 54 54 25405 1 . HIS 55 55 25405 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 25405 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MvaT . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa PAO1 . . . . . . . . . . mvaT . 25405 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 25405 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MvaT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21b . . . 25405 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25405 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MvaT '[U-100% 13C; U-100% 15N]' . . 1 $MvaT . . 1 . . mM . . . . 25405 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25405 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25405 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25405 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 25405 1 pH 6 . pH 25405 1 pressure 1 . atm 25405 1 temperature 298 . K 25405 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25405 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25405 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25405 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25405 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25405 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25405 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25405 1 2 spectrometer_2 Bruker Avance . 600 . . . 25405 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 25405 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25405 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25405 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25405 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25405 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25405 1 6 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25405 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25405 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25405 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25405 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25405 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25405 _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 internal indirect 0.25144952 . . . . . . . . . 25405 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 25405 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10132905 . . . . . . . . . 25405 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25405 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25405 1 2 '2D 1H-13C HSQC' . . . 25405 1 3 '3D CBCA(CO)NH' . . . 25405 1 4 '3D HNCACB' . . . 25405 1 5 '3D HCCH-TOCSY' . . . 25405 1 6 '3D HCCH-COSY' . . . 25405 1 7 '3D HNCO' . . . 25405 1 8 '3D HBHA(CO)NH' . . . 25405 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 4 4 ALA H H 1 8.464 . . 1 . . . A 79 ALA H . 25405 1 2 . 1 1 4 4 ALA HA H 1 4.332 . . 1 . . . A 79 ALA HA . 25405 1 3 . 1 1 4 4 ALA HB1 H 1 1.370 . . 1 . . . A 79 ALA HB1 . 25405 1 4 . 1 1 4 4 ALA HB2 H 1 1.370 . . 1 . . . A 79 ALA HB2 . 25405 1 5 . 1 1 4 4 ALA HB3 H 1 1.370 . . 1 . . . A 79 ALA HB3 . 25405 1 6 . 1 1 4 4 ALA C C 13 177.576 . . 1 . . . A 79 ALA C . 25405 1 7 . 1 1 4 4 ALA CA C 13 52.293 . . 1 . . . A 79 ALA CA . 25405 1 8 . 1 1 4 4 ALA CB C 13 19.438 . . 1 . . . A 79 ALA CB . 25405 1 9 . 1 1 4 4 ALA N N 15 126.935 . . 1 . . . A 79 ALA N . 25405 1 10 . 1 1 5 5 ARG H H 1 8.474 . . 1 . . . A 80 ARG H . 25405 1 11 . 1 1 5 5 ARG HA H 1 4.352 . . 1 . . . A 80 ARG HA . 25405 1 12 . 1 1 5 5 ARG HB2 H 1 1.752 . . 2 . . . A 80 ARG HB2 . 25405 1 13 . 1 1 5 5 ARG HB3 H 1 1.846 . . 2 . . . A 80 ARG HB3 . 25405 1 14 . 1 1 5 5 ARG HG2 H 1 1.640 . . 2 . . . A 80 ARG HG2 . 25405 1 15 . 1 1 5 5 ARG HG3 H 1 1.698 . . 2 . . . A 80 ARG HG3 . 25405 1 16 . 1 1 5 5 ARG HD2 H 1 3.196 . . 2 . . . A 80 ARG HD2 . 25405 1 17 . 1 1 5 5 ARG HD3 H 1 3.196 . . 2 . . . A 80 ARG HD3 . 25405 1 18 . 1 1 5 5 ARG C C 13 176.133 . . 1 . . . A 80 ARG C . 25405 1 19 . 1 1 5 5 ARG CA C 13 56.024 . . 1 . . . A 80 ARG CA . 25405 1 20 . 1 1 5 5 ARG CB C 13 31.318 . . 1 . . . A 80 ARG CB . 25405 1 21 . 1 1 5 5 ARG CG C 13 27.243 . . 1 . . . A 80 ARG CG . 25405 1 22 . 1 1 5 5 ARG CD C 13 43.435 . . 1 . . . A 80 ARG CD . 25405 1 23 . 1 1 5 5 ARG N N 15 122.199 . . 1 . . . A 80 ARG N . 25405 1 24 . 1 1 6 6 LYS H H 1 8.434 . . 1 . . . A 81 LYS H . 25405 1 25 . 1 1 6 6 LYS HA H 1 4.375 . . 1 . . . A 81 LYS HA . 25405 1 26 . 1 1 6 6 LYS HB2 H 1 1.707 . . 2 . . . A 81 LYS HB2 . 25405 1 27 . 1 1 6 6 LYS HB3 H 1 1.765 . . 2 . . . A 81 LYS HB3 . 25405 1 28 . 1 1 6 6 LYS HG2 H 1 1.446 . . 2 . . . A 81 LYS HG2 . 25405 1 29 . 1 1 6 6 LYS HG3 H 1 1.342 . . 2 . . . A 81 LYS HG3 . 25405 1 30 . 1 1 6 6 LYS HD2 H 1 1.651 . . 2 . . . A 81 LYS HD2 . 25405 1 31 . 1 1 6 6 LYS HD3 H 1 1.651 . . 2 . . . A 81 LYS HD3 . 25405 1 32 . 1 1 6 6 LYS HE2 H 1 2.954 . . 2 . . . A 81 LYS HE2 . 25405 1 33 . 1 1 6 6 LYS HE3 H 1 2.954 . . 2 . . . A 81 LYS HE3 . 25405 1 34 . 1 1 6 6 LYS C C 13 175.934 . . 1 . . . A 81 LYS C . 25405 1 35 . 1 1 6 6 LYS CA C 13 56.097 . . 1 . . . A 81 LYS CA . 25405 1 36 . 1 1 6 6 LYS CB C 13 33.467 . . 1 . . . A 81 LYS CB . 25405 1 37 . 1 1 6 6 LYS CG C 13 25.082 . . 1 . . . A 81 LYS CG . 25405 1 38 . 1 1 6 6 LYS CD C 13 29.246 . . 1 . . . A 81 LYS CD . 25405 1 39 . 1 1 6 6 LYS CE C 13 42.054 . . 1 . . . A 81 LYS CE . 25405 1 40 . 1 1 6 6 LYS N N 15 123.340 . . 1 . . . A 81 LYS N . 25405 1 41 . 1 1 7 7 VAL H H 1 8.295 . . 1 . . . A 82 VAL H . 25405 1 42 . 1 1 7 7 VAL HA H 1 4.181 . . 1 . . . A 82 VAL HA . 25405 1 43 . 1 1 7 7 VAL HB H 1 1.943 . . 1 . . . A 82 VAL HB . 25405 1 44 . 1 1 7 7 VAL HG11 H 1 0.853 . . 2 . . . A 82 VAL HG11 . 25405 1 45 . 1 1 7 7 VAL HG12 H 1 0.853 . . 2 . . . A 82 VAL HG12 . 25405 1 46 . 1 1 7 7 VAL HG13 H 1 0.853 . . 2 . . . A 82 VAL HG13 . 25405 1 47 . 1 1 7 7 VAL HG21 H 1 0.904 . . 2 . . . A 82 VAL HG21 . 25405 1 48 . 1 1 7 7 VAL HG22 H 1 0.904 . . 2 . . . A 82 VAL HG22 . 25405 1 49 . 1 1 7 7 VAL HG23 H 1 0.904 . . 2 . . . A 82 VAL HG23 . 25405 1 50 . 1 1 7 7 VAL C C 13 175.028 . . 1 . . . A 82 VAL C . 25405 1 51 . 1 1 7 7 VAL CA C 13 62.287 . . 1 . . . A 82 VAL CA . 25405 1 52 . 1 1 7 7 VAL CB C 13 33.225 . . 1 . . . A 82 VAL CB . 25405 1 53 . 1 1 7 7 VAL CG1 C 13 21.546 . . 1 . . . A 82 VAL CG1 . 25405 1 54 . 1 1 7 7 VAL CG2 C 13 21.546 . . 1 . . . A 82 VAL CG2 . 25405 1 55 . 1 1 7 7 VAL N N 15 122.504 . . 1 . . . A 82 VAL N . 25405 1 56 . 1 1 8 8 LYS H H 1 8.409 . . 1 . . . A 83 LYS H . 25405 1 57 . 1 1 8 8 LYS HA H 1 4.720 . . 1 . . . A 83 LYS HA . 25405 1 58 . 1 1 8 8 LYS HB2 H 1 1.491 . . 2 . . . A 83 LYS HB2 . 25405 1 59 . 1 1 8 8 LYS HB3 H 1 1.670 . . 2 . . . A 83 LYS HB3 . 25405 1 60 . 1 1 8 8 LYS HG2 H 1 1.095 . . 2 . . . A 83 LYS HG2 . 25405 1 61 . 1 1 8 8 LYS HG3 H 1 1.341 . . 2 . . . A 83 LYS HG3 . 25405 1 62 . 1 1 8 8 LYS HD2 H 1 1.561 . . 2 . . . A 83 LYS HD2 . 25405 1 63 . 1 1 8 8 LYS HD3 H 1 1.561 . . 2 . . . A 83 LYS HD3 . 25405 1 64 . 1 1 8 8 LYS HE2 H 1 2.816 . . 2 . . . A 83 LYS HE2 . 25405 1 65 . 1 1 8 8 LYS HE3 H 1 2.816 . . 2 . . . A 83 LYS HE3 . 25405 1 66 . 1 1 8 8 LYS C C 13 174.804 . . 1 . . . A 83 LYS C . 25405 1 67 . 1 1 8 8 LYS CA C 13 55.623 . . 1 . . . A 83 LYS CA . 25405 1 68 . 1 1 8 8 LYS CB C 13 35.848 . . 1 . . . A 83 LYS CB . 25405 1 69 . 1 1 8 8 LYS CG C 13 25.723 . . 1 . . . A 83 LYS CG . 25405 1 70 . 1 1 8 8 LYS CD C 13 29.987 . . 1 . . . A 83 LYS CD . 25405 1 71 . 1 1 8 8 LYS CE C 13 42.038 . . 1 . . . A 83 LYS CE . 25405 1 72 . 1 1 8 8 LYS N N 15 126.205 . . 1 . . . A 83 LYS N . 25405 1 73 . 1 1 9 9 GLN H H 1 8.691 . . 1 . . . A 84 GLN H . 25405 1 74 . 1 1 9 9 GLN HA H 1 5.347 . . 1 . . . A 84 GLN HA . 25405 1 75 . 1 1 9 9 GLN HB2 H 1 1.873 . . 2 . . . A 84 GLN HB2 . 25405 1 76 . 1 1 9 9 GLN HB3 H 1 1.996 . . 2 . . . A 84 GLN HB3 . 25405 1 77 . 1 1 9 9 GLN HG2 H 1 1.999 . . 2 . . . A 84 GLN HG2 . 25405 1 78 . 1 1 9 9 GLN HG3 H 1 2.284 . . 2 . . . A 84 GLN HG3 . 25405 1 79 . 1 1 9 9 GLN HE21 H 1 6.835 . . 2 . . . A 84 GLN HE21 . 25405 1 80 . 1 1 9 9 GLN HE22 H 1 7.952 . . 2 . . . A 84 GLN HE22 . 25405 1 81 . 1 1 9 9 GLN C C 13 174.848 . . 1 . . . A 84 GLN C . 25405 1 82 . 1 1 9 9 GLN CA C 13 54.179 . . 1 . . . A 84 GLN CA . 25405 1 83 . 1 1 9 9 GLN CB C 13 32.453 . . 1 . . . A 84 GLN CB . 25405 1 84 . 1 1 9 9 GLN CG C 13 35.382 . . 1 . . . A 84 GLN CG . 25405 1 85 . 1 1 9 9 GLN N N 15 122.833 . . 1 . . . A 84 GLN N . 25405 1 86 . 1 1 9 9 GLN NE2 N 15 113.202 . . 1 . . . A 84 GLN NE2 . 25405 1 87 . 1 1 10 10 TYR H H 1 9.414 . . 1 . . . A 85 TYR H . 25405 1 88 . 1 1 10 10 TYR HA H 1 4.981 . . 1 . . . A 85 TYR HA . 25405 1 89 . 1 1 10 10 TYR HB2 H 1 2.941 . . 2 . . . A 85 TYR HB2 . 25405 1 90 . 1 1 10 10 TYR HB3 H 1 3.148 . . 2 . . . A 85 TYR HB3 . 25405 1 91 . 1 1 10 10 TYR HD2 H 1 7.086 . . 3 . . . A 85 TYR HD2 . 25405 1 92 . 1 1 10 10 TYR HE2 H 1 6.660 . . 3 . . . A 85 TYR HE2 . 25405 1 93 . 1 1 10 10 TYR C C 13 174.405 . . 1 . . . A 85 TYR C . 25405 1 94 . 1 1 10 10 TYR CA C 13 57.565 . . 1 . . . A 85 TYR CA . 25405 1 95 . 1 1 10 10 TYR CB C 13 42.310 . . 1 . . . A 85 TYR CB . 25405 1 96 . 1 1 10 10 TYR CD2 C 13 133.384 . . 1 . . . A 85 TYR CD2 . 25405 1 97 . 1 1 10 10 TYR CE2 C 13 118.839 . . 1 . . . A 85 TYR CE2 . 25405 1 98 . 1 1 10 10 TYR N N 15 124.308 . . 1 . . . A 85 TYR N . 25405 1 99 . 1 1 11 11 LYS H H 1 7.767 . . 1 . . . A 86 LYS H . 25405 1 100 . 1 1 11 11 LYS HA H 1 5.130 . . 1 . . . A 86 LYS HA . 25405 1 101 . 1 1 11 11 LYS HB2 H 1 1.514 . . 2 . . . A 86 LYS HB2 . 25405 1 102 . 1 1 11 11 LYS HB3 H 1 1.693 . . 2 . . . A 86 LYS HB3 . 25405 1 103 . 1 1 11 11 LYS HG2 H 1 0.783 . . 2 . . . A 86 LYS HG2 . 25405 1 104 . 1 1 11 11 LYS HG3 H 1 1.013 . . 2 . . . A 86 LYS HG3 . 25405 1 105 . 1 1 11 11 LYS HD2 H 1 1.463 . . 2 . . . A 86 LYS HD2 . 25405 1 106 . 1 1 11 11 LYS HD3 H 1 1.463 . . 2 . . . A 86 LYS HD3 . 25405 1 107 . 1 1 11 11 LYS HE2 H 1 2.748 . . 2 . . . A 86 LYS HE2 . 25405 1 108 . 1 1 11 11 LYS HE3 H 1 2.748 . . 2 . . . A 86 LYS HE3 . 25405 1 109 . 1 1 11 11 LYS C C 13 174.008 . . 1 . . . A 86 LYS C . 25405 1 110 . 1 1 11 11 LYS CA C 13 54.191 . . 1 . . . A 86 LYS CA . 25405 1 111 . 1 1 11 11 LYS CB C 13 34.184 . . 1 . . . A 86 LYS CB . 25405 1 112 . 1 1 11 11 LYS CG C 13 24.691 . . 1 . . . A 86 LYS CG . 25405 1 113 . 1 1 11 11 LYS CD C 13 29.397 . . 1 . . . A 86 LYS CD . 25405 1 114 . 1 1 11 11 LYS CE C 13 41.999 . . 1 . . . A 86 LYS CE . 25405 1 115 . 1 1 11 11 LYS N N 15 123.322 . . 1 . . . A 86 LYS N . 25405 1 116 . 1 1 12 12 ASN H H 1 8.652 . . 1 . . . A 87 ASN H . 25405 1 117 . 1 1 12 12 ASN HA H 1 3.187 . . 1 . . . A 87 ASN HA . 25405 1 118 . 1 1 12 12 ASN HB2 H 1 0.837 . . 2 . . . A 87 ASN HB2 . 25405 1 119 . 1 1 12 12 ASN HB3 H 1 2.432 . . 2 . . . A 87 ASN HB3 . 25405 1 120 . 1 1 12 12 ASN CA C 13 49.491 . . 1 . . . A 87 ASN CA . 25405 1 121 . 1 1 12 12 ASN CB C 13 38.196 . . 1 . . . A 87 ASN CB . 25405 1 122 . 1 1 12 12 ASN N N 15 127.360 . . 1 . . . A 87 ASN N . 25405 1 123 . 1 1 13 13 PRO HA H 1 3.837 . . 1 . . . A 88 PRO HA . 25405 1 124 . 1 1 13 13 PRO HB2 H 1 1.230 . . 2 . . . A 88 PRO HB2 . 25405 1 125 . 1 1 13 13 PRO HB3 H 1 1.556 . . 2 . . . A 88 PRO HB3 . 25405 1 126 . 1 1 13 13 PRO HG2 H 1 0.176 . . 2 . . . A 88 PRO HG2 . 25405 1 127 . 1 1 13 13 PRO HG3 H 1 1.023 . . 2 . . . A 88 PRO HG3 . 25405 1 128 . 1 1 13 13 PRO HD2 H 1 0.688 . . 2 . . . A 88 PRO HD2 . 25405 1 129 . 1 1 13 13 PRO HD3 H 1 1.859 . . 2 . . . A 88 PRO HD3 . 25405 1 130 . 1 1 13 13 PRO C C 13 176.904 . . 1 . . . A 88 PRO C . 25405 1 131 . 1 1 13 13 PRO CA C 13 63.354 . . 1 . . . A 88 PRO CA . 25405 1 132 . 1 1 13 13 PRO CB C 13 31.139 . . 1 . . . A 88 PRO CB . 25405 1 133 . 1 1 13 13 PRO CG C 13 24.899 . . 1 . . . A 88 PRO CG . 25405 1 134 . 1 1 13 13 PRO CD C 13 47.912 . . 1 . . . A 88 PRO CD . 25405 1 135 . 1 1 14 14 HIS H H 1 7.533 . . 1 . . . A 89 HIS H . 25405 1 136 . 1 1 14 14 HIS HA H 1 4.218 . . 1 . . . A 89 HIS HA . 25405 1 137 . 1 1 14 14 HIS HB2 H 1 2.704 . . 2 . . . A 89 HIS HB2 . 25405 1 138 . 1 1 14 14 HIS HB3 H 1 3.059 . . 2 . . . A 89 HIS HB3 . 25405 1 139 . 1 1 14 14 HIS C C 13 176.783 . . 1 . . . A 89 HIS C . 25405 1 140 . 1 1 14 14 HIS CA C 13 56.813 . . 1 . . . A 89 HIS CA . 25405 1 141 . 1 1 14 14 HIS CB C 13 29.306 . . 1 . . . A 89 HIS CB . 25405 1 142 . 1 1 14 14 HIS N N 15 118.285 . . 1 . . . A 89 HIS N . 25405 1 143 . 1 1 15 15 THR H H 1 6.580 . . 1 . . . A 90 THR H . 25405 1 144 . 1 1 15 15 THR HA H 1 4.449 . . 1 . . . A 90 THR HA . 25405 1 145 . 1 1 15 15 THR HB H 1 4.312 . . 1 . . . A 90 THR HB . 25405 1 146 . 1 1 15 15 THR HG21 H 1 1.062 . . 1 . . . A 90 THR HG21 . 25405 1 147 . 1 1 15 15 THR HG22 H 1 1.062 . . 1 . . . A 90 THR HG22 . 25405 1 148 . 1 1 15 15 THR HG23 H 1 1.062 . . 1 . . . A 90 THR HG23 . 25405 1 149 . 1 1 15 15 THR C C 13 176.027 . . 1 . . . A 90 THR C . 25405 1 150 . 1 1 15 15 THR CA C 13 60.832 . . 1 . . . A 90 THR CA . 25405 1 151 . 1 1 15 15 THR CB C 13 70.865 . . 1 . . . A 90 THR CB . 25405 1 152 . 1 1 15 15 THR CG2 C 13 21.300 . . 1 . . . A 90 THR CG2 . 25405 1 153 . 1 1 15 15 THR N N 15 105.838 . . 1 . . . A 90 THR N . 25405 1 154 . 1 1 16 16 GLY H H 1 8.118 . . 1 . . . A 91 GLY H . 25405 1 155 . 1 1 16 16 GLY HA2 H 1 3.441 . . 2 . . . A 91 GLY HA2 . 25405 1 156 . 1 1 16 16 GLY HA3 H 1 4.121 . . 2 . . . A 91 GLY HA3 . 25405 1 157 . 1 1 16 16 GLY C C 13 173.576 . . 1 . . . A 91 GLY C . 25405 1 158 . 1 1 16 16 GLY CA C 13 45.465 . . 1 . . . A 91 GLY CA . 25405 1 159 . 1 1 16 16 GLY N N 15 112.580 . . 1 . . . A 91 GLY N . 25405 1 160 . 1 1 17 17 GLU H H 1 7.558 . . 1 . . . A 92 GLU H . 25405 1 161 . 1 1 17 17 GLU HA H 1 4.164 . . 1 . . . A 92 GLU HA . 25405 1 162 . 1 1 17 17 GLU HB2 H 1 2.033 . . 2 . . . A 92 GLU HB2 . 25405 1 163 . 1 1 17 17 GLU HB3 H 1 2.201 . . 2 . . . A 92 GLU HB3 . 25405 1 164 . 1 1 17 17 GLU HG2 H 1 2.362 . . 2 . . . A 92 GLU HG2 . 25405 1 165 . 1 1 17 17 GLU HG3 H 1 2.362 . . 2 . . . A 92 GLU HG3 . 25405 1 166 . 1 1 17 17 GLU C C 13 174.703 . . 1 . . . A 92 GLU C . 25405 1 167 . 1 1 17 17 GLU CA C 13 57.366 . . 1 . . . A 92 GLU CA . 25405 1 168 . 1 1 17 17 GLU CB C 13 32.374 . . 1 . . . A 92 GLU CB . 25405 1 169 . 1 1 17 17 GLU CG C 13 37.058 . . 1 . . . A 92 GLU CG . 25405 1 170 . 1 1 17 17 GLU N N 15 121.238 . . 1 . . . A 92 GLU N . 25405 1 171 . 1 1 18 18 VAL H H 1 8.448 . . 1 . . . A 93 VAL H . 25405 1 172 . 1 1 18 18 VAL HA H 1 5.376 . . 1 . . . A 93 VAL HA . 25405 1 173 . 1 1 18 18 VAL HB H 1 1.930 . . 1 . . . A 93 VAL HB . 25405 1 174 . 1 1 18 18 VAL HG11 H 1 0.859 . . 2 . . . A 93 VAL HG11 . 25405 1 175 . 1 1 18 18 VAL HG12 H 1 0.859 . . 2 . . . A 93 VAL HG12 . 25405 1 176 . 1 1 18 18 VAL HG13 H 1 0.859 . . 2 . . . A 93 VAL HG13 . 25405 1 177 . 1 1 18 18 VAL HG21 H 1 0.926 . . 2 . . . A 93 VAL HG21 . 25405 1 178 . 1 1 18 18 VAL HG22 H 1 0.926 . . 2 . . . A 93 VAL HG22 . 25405 1 179 . 1 1 18 18 VAL HG23 H 1 0.926 . . 2 . . . A 93 VAL HG23 . 25405 1 180 . 1 1 18 18 VAL C C 13 176.758 . . 1 . . . A 93 VAL C . 25405 1 181 . 1 1 18 18 VAL CA C 13 60.860 . . 1 . . . A 93 VAL CA . 25405 1 182 . 1 1 18 18 VAL CB C 13 34.620 . . 1 . . . A 93 VAL CB . 25405 1 183 . 1 1 18 18 VAL CG1 C 13 21.421 . . 1 . . . A 93 VAL CG1 . 25405 1 184 . 1 1 18 18 VAL CG2 C 13 21.421 . . 1 . . . A 93 VAL CG2 . 25405 1 185 . 1 1 18 18 VAL N N 15 123.143 . . 1 . . . A 93 VAL N . 25405 1 186 . 1 1 19 19 ILE H H 1 8.906 . . 1 . . . A 94 ILE H . 25405 1 187 . 1 1 19 19 ILE HA H 1 4.721 . . 1 . . . A 94 ILE HA . 25405 1 188 . 1 1 19 19 ILE HB H 1 1.452 . . 1 . . . A 94 ILE HB . 25405 1 189 . 1 1 19 19 ILE HG12 H 1 0.948 . . 2 . . . A 94 ILE HG12 . 25405 1 190 . 1 1 19 19 ILE HG13 H 1 1.111 . . 2 . . . A 94 ILE HG13 . 25405 1 191 . 1 1 19 19 ILE HG21 H 1 0.525 . . 1 . . . A 94 ILE HG21 . 25405 1 192 . 1 1 19 19 ILE HG22 H 1 0.525 . . 1 . . . A 94 ILE HG22 . 25405 1 193 . 1 1 19 19 ILE HG23 H 1 0.525 . . 1 . . . A 94 ILE HG23 . 25405 1 194 . 1 1 19 19 ILE HD11 H 1 -0.237 . . 1 . . . A 94 ILE HD11 . 25405 1 195 . 1 1 19 19 ILE HD12 H 1 -0.237 . . 1 . . . A 94 ILE HD12 . 25405 1 196 . 1 1 19 19 ILE HD13 H 1 -0.237 . . 1 . . . A 94 ILE HD13 . 25405 1 197 . 1 1 19 19 ILE C C 13 174.281 . . 1 . . . A 94 ILE C . 25405 1 198 . 1 1 19 19 ILE CA C 13 59.235 . . 1 . . . A 94 ILE CA . 25405 1 199 . 1 1 19 19 ILE CB C 13 41.899 . . 1 . . . A 94 ILE CB . 25405 1 200 . 1 1 19 19 ILE CG1 C 13 26.446 . . 1 . . . A 94 ILE CG1 . 25405 1 201 . 1 1 19 19 ILE CG2 C 13 17.432 . . 1 . . . A 94 ILE CG2 . 25405 1 202 . 1 1 19 19 ILE CD1 C 13 12.647 . . 1 . . . A 94 ILE CD1 . 25405 1 203 . 1 1 19 19 ILE N N 15 123.123 . . 1 . . . A 94 ILE N . 25405 1 204 . 1 1 20 20 GLU H H 1 8.562 . . 1 . . . A 95 GLU H . 25405 1 205 . 1 1 20 20 GLU HA H 1 5.387 . . 1 . . . A 95 GLU HA . 25405 1 206 . 1 1 20 20 GLU HB2 H 1 1.953 . . 2 . . . A 95 GLU HB2 . 25405 1 207 . 1 1 20 20 GLU HB3 H 1 1.953 . . 2 . . . A 95 GLU HB3 . 25405 1 208 . 1 1 20 20 GLU HG2 H 1 2.094 . . 2 . . . A 95 GLU HG2 . 25405 1 209 . 1 1 20 20 GLU HG3 H 1 2.243 . . 2 . . . A 95 GLU HG3 . 25405 1 210 . 1 1 20 20 GLU C C 13 175.971 . . 1 . . . A 95 GLU C . 25405 1 211 . 1 1 20 20 GLU CA C 13 54.679 . . 1 . . . A 95 GLU CA . 25405 1 212 . 1 1 20 20 GLU CB C 13 32.274 . . 1 . . . A 95 GLU CB . 25405 1 213 . 1 1 20 20 GLU CG C 13 37.134 . . 1 . . . A 95 GLU CG . 25405 1 214 . 1 1 20 20 GLU N N 15 124.172 . . 1 . . . A 95 GLU N . 25405 1 215 . 1 1 21 21 THR H H 1 8.880 . . 1 . . . A 96 THR H . 25405 1 216 . 1 1 21 21 THR HA H 1 4.803 . . 1 . . . A 96 THR HA . 25405 1 217 . 1 1 21 21 THR HB H 1 4.249 . . 1 . . . A 96 THR HB . 25405 1 218 . 1 1 21 21 THR HG21 H 1 1.058 . . 1 . . . A 96 THR HG21 . 25405 1 219 . 1 1 21 21 THR HG22 H 1 1.058 . . 1 . . . A 96 THR HG22 . 25405 1 220 . 1 1 21 21 THR HG23 H 1 1.058 . . 1 . . . A 96 THR HG23 . 25405 1 221 . 1 1 21 21 THR C C 13 173.196 . . 1 . . . A 96 THR C . 25405 1 222 . 1 1 21 21 THR CA C 13 60.160 . . 1 . . . A 96 THR CA . 25405 1 223 . 1 1 21 21 THR CB C 13 69.962 . . 1 . . . A 96 THR CB . 25405 1 224 . 1 1 21 21 THR CG2 C 13 20.830 . . 1 . . . A 96 THR CG2 . 25405 1 225 . 1 1 21 21 THR N N 15 115.945 . . 1 . . . A 96 THR N . 25405 1 226 . 1 1 22 22 LYS H H 1 8.791 . . 1 . . . A 97 LYS H . 25405 1 227 . 1 1 22 22 LYS HA H 1 4.717 . . 1 . . . A 97 LYS HA . 25405 1 228 . 1 1 22 22 LYS HB2 H 1 1.812 . . 2 . . . A 97 LYS HB2 . 25405 1 229 . 1 1 22 22 LYS HB3 H 1 1.935 . . 2 . . . A 97 LYS HB3 . 25405 1 230 . 1 1 22 22 LYS HG2 H 1 1.412 . . 2 . . . A 97 LYS HG2 . 25405 1 231 . 1 1 22 22 LYS HG3 H 1 1.466 . . 2 . . . A 97 LYS HG3 . 25405 1 232 . 1 1 22 22 LYS HD2 H 1 1.693 . . 2 . . . A 97 LYS HD2 . 25405 1 233 . 1 1 22 22 LYS HD3 H 1 1.693 . . 2 . . . A 97 LYS HD3 . 25405 1 234 . 1 1 22 22 LYS HE2 H 1 2.987 . . 2 . . . A 97 LYS HE2 . 25405 1 235 . 1 1 22 22 LYS HE3 H 1 2.987 . . 2 . . . A 97 LYS HE3 . 25405 1 236 . 1 1 22 22 LYS C C 13 176.865 . . 1 . . . A 97 LYS C . 25405 1 237 . 1 1 22 22 LYS CA C 13 56.481 . . 1 . . . A 97 LYS CA . 25405 1 238 . 1 1 22 22 LYS CB C 13 33.226 . . 1 . . . A 97 LYS CB . 25405 1 239 . 1 1 22 22 LYS CG C 13 25.249 . . 1 . . . A 97 LYS CG . 25405 1 240 . 1 1 22 22 LYS CD C 13 29.390 . . 1 . . . A 97 LYS CD . 25405 1 241 . 1 1 22 22 LYS CE C 13 42.129 . . 1 . . . A 97 LYS CE . 25405 1 242 . 1 1 22 22 LYS N N 15 125.018 . . 1 . . . A 97 LYS N . 25405 1 243 . 1 1 23 23 GLY H H 1 8.563 . . 1 . . . A 98 GLY H . 25405 1 244 . 1 1 23 23 GLY HA2 H 1 3.946 . . 2 . . . A 98 GLY HA2 . 25405 1 245 . 1 1 23 23 GLY HA3 H 1 4.214 . . 2 . . . A 98 GLY HA3 . 25405 1 246 . 1 1 23 23 GLY C C 13 174.664 . . 1 . . . A 98 GLY C . 25405 1 247 . 1 1 23 23 GLY CA C 13 45.314 . . 1 . . . A 98 GLY CA . 25405 1 248 . 1 1 23 23 GLY N N 15 110.685 . . 1 . . . A 98 GLY N . 25405 1 249 . 1 1 24 24 GLY H H 1 8.448 . . 1 . . . A 99 GLY H . 25405 1 250 . 1 1 24 24 GLY HA2 H 1 3.969 . . 2 . . . A 99 GLY HA2 . 25405 1 251 . 1 1 24 24 GLY HA3 H 1 3.969 . . 2 . . . A 99 GLY HA3 . 25405 1 252 . 1 1 24 24 GLY C C 13 174.357 . . 1 . . . A 99 GLY C . 25405 1 253 . 1 1 24 24 GLY CA C 13 45.323 . . 1 . . . A 99 GLY CA . 25405 1 254 . 1 1 24 24 GLY N N 15 108.582 . . 1 . . . A 99 GLY N . 25405 1 255 . 1 1 25 25 ASN H H 1 8.434 . . 1 . . . A 100 ASN H . 25405 1 256 . 1 1 25 25 ASN HA H 1 4.722 . . 1 . . . A 100 ASN HA . 25405 1 257 . 1 1 25 25 ASN HB2 H 1 2.725 . . 2 . . . A 100 ASN HB2 . 25405 1 258 . 1 1 25 25 ASN HB3 H 1 2.855 . . 2 . . . A 100 ASN HB3 . 25405 1 259 . 1 1 25 25 ASN HD21 H 1 6.948 . . 2 . . . A 100 ASN HD21 . 25405 1 260 . 1 1 25 25 ASN HD22 H 1 7.673 . . 2 . . . A 100 ASN HD22 . 25405 1 261 . 1 1 25 25 ASN C C 13 174.556 . . 1 . . . A 100 ASN C . 25405 1 262 . 1 1 25 25 ASN CA C 13 52.964 . . 1 . . . A 100 ASN CA . 25405 1 263 . 1 1 25 25 ASN CB C 13 38.521 . . 1 . . . A 100 ASN CB . 25405 1 264 . 1 1 25 25 ASN N N 15 119.762 . . 1 . . . A 100 ASN N . 25405 1 265 . 1 1 25 25 ASN ND2 N 15 113.883 . . 1 . . . A 100 ASN ND2 . 25405 1 266 . 1 1 26 26 HIS H H 1 7.876 . . 1 . . . A 101 HIS H . 25405 1 267 . 1 1 26 26 HIS HA H 1 4.326 . . 1 . . . A 101 HIS HA . 25405 1 268 . 1 1 26 26 HIS HB2 H 1 2.815 . . 2 . . . A 101 HIS HB2 . 25405 1 269 . 1 1 26 26 HIS HB3 H 1 3.041 . . 2 . . . A 101 HIS HB3 . 25405 1 270 . 1 1 26 26 HIS HD2 H 1 7.227 . . 1 . . . A 101 HIS HD2 . 25405 1 271 . 1 1 26 26 HIS HE1 H 1 7.665 . . 1 . . . A 101 HIS HE1 . 25405 1 272 . 1 1 26 26 HIS C C 13 176.443 . . 1 . . . A 101 HIS C . 25405 1 273 . 1 1 26 26 HIS CA C 13 57.774 . . 1 . . . A 101 HIS CA . 25405 1 274 . 1 1 26 26 HIS CB C 13 32.692 . . 1 . . . A 101 HIS CB . 25405 1 275 . 1 1 26 26 HIS CD2 C 13 118.839 . . 1 . . . A 101 HIS CD2 . 25405 1 276 . 1 1 26 26 HIS CE1 C 13 138.526 . . 1 . . . A 101 HIS CE1 . 25405 1 277 . 1 1 26 26 HIS N N 15 123.978 . . 1 . . . A 101 HIS N . 25405 1 278 . 1 1 27 27 LYS H H 1 8.653 . . 1 . . . A 102 LYS H . 25405 1 279 . 1 1 27 27 LYS HA H 1 3.891 . . 1 . . . A 102 LYS HA . 25405 1 280 . 1 1 27 27 LYS HB2 H 1 1.740 . . 2 . . . A 102 LYS HB2 . 25405 1 281 . 1 1 27 27 LYS HB3 H 1 1.814 . . 2 . . . A 102 LYS HB3 . 25405 1 282 . 1 1 27 27 LYS HG2 H 1 1.318 . . 2 . . . A 102 LYS HG2 . 25405 1 283 . 1 1 27 27 LYS HG3 H 1 1.425 . . 2 . . . A 102 LYS HG3 . 25405 1 284 . 1 1 27 27 LYS HD2 H 1 1.648 . . 2 . . . A 102 LYS HD2 . 25405 1 285 . 1 1 27 27 LYS HD3 H 1 1.648 . . 2 . . . A 102 LYS HD3 . 25405 1 286 . 1 1 27 27 LYS HE2 H 1 2.969 . . 2 . . . A 102 LYS HE2 . 25405 1 287 . 1 1 27 27 LYS HE3 H 1 2.969 . . 2 . . . A 102 LYS HE3 . 25405 1 288 . 1 1 27 27 LYS C C 13 178.607 . . 1 . . . A 102 LYS C . 25405 1 289 . 1 1 27 27 LYS CA C 13 60.396 . . 1 . . . A 102 LYS CA . 25405 1 290 . 1 1 27 27 LYS CB C 13 32.652 . . 1 . . . A 102 LYS CB . 25405 1 291 . 1 1 27 27 LYS CG C 13 24.647 . . 1 . . . A 102 LYS CG . 25405 1 292 . 1 1 27 27 LYS CD C 13 29.317 . . 1 . . . A 102 LYS CD . 25405 1 293 . 1 1 27 27 LYS CE C 13 42.063 . . 1 . . . A 102 LYS CE . 25405 1 294 . 1 1 27 27 LYS N N 15 128.495 . . 1 . . . A 102 LYS N . 25405 1 295 . 1 1 28 28 THR H H 1 9.160 . . 1 . . . A 103 THR H . 25405 1 296 . 1 1 28 28 THR HA H 1 3.863 . . 1 . . . A 103 THR HA . 25405 1 297 . 1 1 28 28 THR HB H 1 3.676 . . 1 . . . A 103 THR HB . 25405 1 298 . 1 1 28 28 THR HG21 H 1 0.551 . . 1 . . . A 103 THR HG21 . 25405 1 299 . 1 1 28 28 THR HG22 H 1 0.551 . . 1 . . . A 103 THR HG22 . 25405 1 300 . 1 1 28 28 THR HG23 H 1 0.551 . . 1 . . . A 103 THR HG23 . 25405 1 301 . 1 1 28 28 THR C C 13 175.324 . . 1 . . . A 103 THR C . 25405 1 302 . 1 1 28 28 THR CA C 13 66.068 . . 1 . . . A 103 THR CA . 25405 1 303 . 1 1 28 28 THR CB C 13 67.815 . . 1 . . . A 103 THR CB . 25405 1 304 . 1 1 28 28 THR CG2 C 13 22.457 . . 1 . . . A 103 THR CG2 . 25405 1 305 . 1 1 28 28 THR N N 15 119.551 . . 1 . . . A 103 THR N . 25405 1 306 . 1 1 29 29 LEU H H 1 7.367 . . 1 . . . A 104 LEU H . 25405 1 307 . 1 1 29 29 LEU HA H 1 3.388 . . 1 . . . A 104 LEU HA . 25405 1 308 . 1 1 29 29 LEU HB2 H 1 1.160 . . 2 . . . A 104 LEU HB2 . 25405 1 309 . 1 1 29 29 LEU HB3 H 1 1.599 . . 2 . . . A 104 LEU HB3 . 25405 1 310 . 1 1 29 29 LEU HG H 1 1.114 . . 1 . . . A 104 LEU HG . 25405 1 311 . 1 1 29 29 LEU HD11 H 1 0.334 . . 2 . . . A 104 LEU HD11 . 25405 1 312 . 1 1 29 29 LEU HD12 H 1 0.334 . . 2 . . . A 104 LEU HD12 . 25405 1 313 . 1 1 29 29 LEU HD13 H 1 0.334 . . 2 . . . A 104 LEU HD13 . 25405 1 314 . 1 1 29 29 LEU HD21 H 1 0.130 . . 2 . . . A 104 LEU HD21 . 25405 1 315 . 1 1 29 29 LEU HD22 H 1 0.130 . . 2 . . . A 104 LEU HD22 . 25405 1 316 . 1 1 29 29 LEU HD23 H 1 0.130 . . 2 . . . A 104 LEU HD23 . 25405 1 317 . 1 1 29 29 LEU C C 13 178.813 . . 1 . . . A 104 LEU C . 25405 1 318 . 1 1 29 29 LEU CA C 13 57.818 . . 1 . . . A 104 LEU CA . 25405 1 319 . 1 1 29 29 LEU CB C 13 41.881 . . 1 . . . A 104 LEU CB . 25405 1 320 . 1 1 29 29 LEU CG C 13 26.543 . . 1 . . . A 104 LEU CG . 25405 1 321 . 1 1 29 29 LEU CD1 C 13 24.414 . . 1 . . . A 104 LEU CD1 . 25405 1 322 . 1 1 29 29 LEU CD2 C 13 23.455 . . 1 . . . A 104 LEU CD2 . 25405 1 323 . 1 1 29 29 LEU N N 15 122.074 . . 1 . . . A 104 LEU N . 25405 1 324 . 1 1 30 30 LYS H H 1 7.849 . . 1 . . . A 105 LYS H . 25405 1 325 . 1 1 30 30 LYS HA H 1 3.849 . . 1 . . . A 105 LYS HA . 25405 1 326 . 1 1 30 30 LYS HB2 H 1 1.901 . . 2 . . . A 105 LYS HB2 . 25405 1 327 . 1 1 30 30 LYS HB3 H 1 1.901 . . 2 . . . A 105 LYS HB3 . 25405 1 328 . 1 1 30 30 LYS HG2 H 1 1.394 . . 2 . . . A 105 LYS HG2 . 25405 1 329 . 1 1 30 30 LYS HG3 H 1 1.593 . . 2 . . . A 105 LYS HG3 . 25405 1 330 . 1 1 30 30 LYS HD2 H 1 1.657 . . 2 . . . A 105 LYS HD2 . 25405 1 331 . 1 1 30 30 LYS HD3 H 1 1.657 . . 2 . . . A 105 LYS HD3 . 25405 1 332 . 1 1 30 30 LYS HE2 H 1 2.748 . . 2 . . . A 105 LYS HE2 . 25405 1 333 . 1 1 30 30 LYS HE3 H 1 2.972 . . 2 . . . A 105 LYS HE3 . 25405 1 334 . 1 1 30 30 LYS C C 13 179.817 . . 1 . . . A 105 LYS C . 25405 1 335 . 1 1 30 30 LYS CA C 13 60.391 . . 1 . . . A 105 LYS CA . 25405 1 336 . 1 1 30 30 LYS CB C 13 32.261 . . 1 . . . A 105 LYS CB . 25405 1 337 . 1 1 30 30 LYS CG C 13 25.381 . . 1 . . . A 105 LYS CG . 25405 1 338 . 1 1 30 30 LYS CD C 13 29.527 . . 1 . . . A 105 LYS CD . 25405 1 339 . 1 1 30 30 LYS CE C 13 42.091 . . 1 . . . A 105 LYS CE . 25405 1 340 . 1 1 30 30 LYS N N 15 117.865 . . 1 . . . A 105 LYS N . 25405 1 341 . 1 1 31 31 GLU H H 1 7.648 . . 1 . . . A 106 GLU H . 25405 1 342 . 1 1 31 31 GLU HA H 1 4.162 . . 1 . . . A 106 GLU HA . 25405 1 343 . 1 1 31 31 GLU HB2 H 1 2.242 . . 2 . . . A 106 GLU HB2 . 25405 1 344 . 1 1 31 31 GLU HB3 H 1 2.446 . . 2 . . . A 106 GLU HB3 . 25405 1 345 . 1 1 31 31 GLU HG2 H 1 2.325 . . 2 . . . A 106 GLU HG2 . 25405 1 346 . 1 1 31 31 GLU HG3 H 1 2.558 . . 2 . . . A 106 GLU HG3 . 25405 1 347 . 1 1 31 31 GLU C C 13 180.218 . . 1 . . . A 106 GLU C . 25405 1 348 . 1 1 31 31 GLU CA C 13 59.431 . . 1 . . . A 106 GLU CA . 25405 1 349 . 1 1 31 31 GLU CB C 13 29.164 . . 1 . . . A 106 GLU CB . 25405 1 350 . 1 1 31 31 GLU CG C 13 36.330 . . 1 . . . A 106 GLU CG . 25405 1 351 . 1 1 31 31 GLU N N 15 121.870 . . 1 . . . A 106 GLU N . 25405 1 352 . 1 1 32 32 TRP H H 1 8.982 . . 1 . . . A 107 TRP H . 25405 1 353 . 1 1 32 32 TRP HA H 1 5.116 . . 1 . . . A 107 TRP HA . 25405 1 354 . 1 1 32 32 TRP HB2 H 1 3.631 . . 2 . . . A 107 TRP HB2 . 25405 1 355 . 1 1 32 32 TRP HB3 H 1 3.631 . . 2 . . . A 107 TRP HB3 . 25405 1 356 . 1 1 32 32 TRP HD1 H 1 7.477 . . 1 . . . A 107 TRP HD1 . 25405 1 357 . 1 1 32 32 TRP HE1 H 1 10.594 . . 1 . . . A 107 TRP HE1 . 25405 1 358 . 1 1 32 32 TRP HZ2 H 1 7.430 . . 1 . . . A 107 TRP HZ2 . 25405 1 359 . 1 1 32 32 TRP HH2 H 1 7.045 . . 1 . . . A 107 TRP HH2 . 25405 1 360 . 1 1 32 32 TRP C C 13 179.165 . . 1 . . . A 107 TRP C . 25405 1 361 . 1 1 32 32 TRP CA C 13 58.579 . . 1 . . . A 107 TRP CA . 25405 1 362 . 1 1 32 32 TRP CB C 13 29.541 . . 1 . . . A 107 TRP CB . 25405 1 363 . 1 1 32 32 TRP CD1 C 13 125.291 . . 1 . . . A 107 TRP CD1 . 25405 1 364 . 1 1 32 32 TRP CZ2 C 13 115.339 . . 1 . . . A 107 TRP CZ2 . 25405 1 365 . 1 1 32 32 TRP CH2 C 13 125.619 . . 1 . . . A 107 TRP CH2 . 25405 1 366 . 1 1 32 32 TRP N N 15 121.657 . . 1 . . . A 107 TRP N . 25405 1 367 . 1 1 32 32 TRP NE1 N 15 130.584 . . 1 . . . A 107 TRP NE1 . 25405 1 368 . 1 1 33 33 LYS H H 1 8.818 . . 1 . . . A 108 LYS H . 25405 1 369 . 1 1 33 33 LYS HA H 1 3.713 . . 1 . . . A 108 LYS HA . 25405 1 370 . 1 1 33 33 LYS HB2 H 1 1.695 . . 2 . . . A 108 LYS HB2 . 25405 1 371 . 1 1 33 33 LYS HB3 H 1 1.956 . . 2 . . . A 108 LYS HB3 . 25405 1 372 . 1 1 33 33 LYS HG2 H 1 1.071 . . 2 . . . A 108 LYS HG2 . 25405 1 373 . 1 1 33 33 LYS HG3 H 1 1.876 . . 2 . . . A 108 LYS HG3 . 25405 1 374 . 1 1 33 33 LYS HD2 H 1 1.603 . . 2 . . . A 108 LYS HD2 . 25405 1 375 . 1 1 33 33 LYS HD3 H 1 1.603 . . 2 . . . A 108 LYS HD3 . 25405 1 376 . 1 1 33 33 LYS HE2 H 1 2.894 . . 2 . . . A 108 LYS HE2 . 25405 1 377 . 1 1 33 33 LYS HE3 H 1 2.609 . . 2 . . . A 108 LYS HE3 . 25405 1 378 . 1 1 33 33 LYS C C 13 178.751 . . 1 . . . A 108 LYS C . 25405 1 379 . 1 1 33 33 LYS CA C 13 60.859 . . 1 . . . A 108 LYS CA . 25405 1 380 . 1 1 33 33 LYS CB C 13 32.750 . . 1 . . . A 108 LYS CB . 25405 1 381 . 1 1 33 33 LYS CG C 13 28.193 . . 1 . . . A 108 LYS CG . 25405 1 382 . 1 1 33 33 LYS CD C 13 30.022 . . 1 . . . A 108 LYS CD . 25405 1 383 . 1 1 33 33 LYS CE C 13 42.121 . . 1 . . . A 108 LYS CE . 25405 1 384 . 1 1 33 33 LYS N N 15 120.169 . . 1 . . . A 108 LYS N . 25405 1 385 . 1 1 34 34 ALA H H 1 7.837 . . 1 . . . A 109 ALA H . 25405 1 386 . 1 1 34 34 ALA HA H 1 4.149 . . 1 . . . A 109 ALA HA . 25405 1 387 . 1 1 34 34 ALA HB1 H 1 1.514 . . 1 . . . A 109 ALA HB1 . 25405 1 388 . 1 1 34 34 ALA HB2 H 1 1.514 . . 1 . . . A 109 ALA HB2 . 25405 1 389 . 1 1 34 34 ALA HB3 H 1 1.514 . . 1 . . . A 109 ALA HB3 . 25405 1 390 . 1 1 34 34 ALA C C 13 178.566 . . 1 . . . A 109 ALA C . 25405 1 391 . 1 1 34 34 ALA CA C 13 54.564 . . 1 . . . A 109 ALA CA . 25405 1 392 . 1 1 34 34 ALA CB C 13 18.198 . . 1 . . . A 109 ALA CB . 25405 1 393 . 1 1 34 34 ALA N N 15 121.907 . . 1 . . . A 109 ALA N . 25405 1 394 . 1 1 35 35 LYS H H 1 7.507 . . 1 . . . A 110 LYS H . 25405 1 395 . 1 1 35 35 LYS HA H 1 3.986 . . 1 . . . A 110 LYS HA . 25405 1 396 . 1 1 35 35 LYS HB2 H 1 1.113 . . 2 . . . A 110 LYS HB2 . 25405 1 397 . 1 1 35 35 LYS HB3 H 1 1.452 . . 2 . . . A 110 LYS HB3 . 25405 1 398 . 1 1 35 35 LYS HG2 H 1 -0.002 . . 2 . . . A 110 LYS HG2 . 25405 1 399 . 1 1 35 35 LYS HG3 H 1 0.665 . . 2 . . . A 110 LYS HG3 . 25405 1 400 . 1 1 35 35 LYS HD2 H 1 0.858 . . 2 . . . A 110 LYS HD2 . 25405 1 401 . 1 1 35 35 LYS HD3 H 1 1.160 . . 2 . . . A 110 LYS HD3 . 25405 1 402 . 1 1 35 35 LYS HE2 H 1 2.420 . . 2 . . . A 110 LYS HE2 . 25405 1 403 . 1 1 35 35 LYS HE3 H 1 2.539 . . 2 . . . A 110 LYS HE3 . 25405 1 404 . 1 1 35 35 LYS C C 13 177.690 . . 1 . . . A 110 LYS C . 25405 1 405 . 1 1 35 35 LYS CA C 13 58.485 . . 1 . . . A 110 LYS CA . 25405 1 406 . 1 1 35 35 LYS CB C 13 33.449 . . 1 . . . A 110 LYS CB . 25405 1 407 . 1 1 35 35 LYS CG C 13 24.405 . . 1 . . . A 110 LYS CG . 25405 1 408 . 1 1 35 35 LYS CD C 13 28.711 . . 1 . . . A 110 LYS CD . 25405 1 409 . 1 1 35 35 LYS CE C 13 42.029 . . 1 . . . A 110 LYS CE . 25405 1 410 . 1 1 35 35 LYS N N 15 117.920 . . 1 . . . A 110 LYS N . 25405 1 411 . 1 1 36 36 TRP H H 1 8.664 . . 1 . . . A 111 TRP H . 25405 1 412 . 1 1 36 36 TRP HB2 H 1 2.970 . . 2 . . . A 111 TRP HB2 . 25405 1 413 . 1 1 36 36 TRP HB3 H 1 3.502 . . 2 . . . A 111 TRP HB3 . 25405 1 414 . 1 1 36 36 TRP HD1 H 1 7.391 . . 1 . . . A 111 TRP HD1 . 25405 1 415 . 1 1 36 36 TRP HE1 H 1 10.102 . . 1 . . . A 111 TRP HE1 . 25405 1 416 . 1 1 36 36 TRP HE3 H 1 8.041 . . 1 . . . A 111 TRP HE3 . 25405 1 417 . 1 1 36 36 TRP HZ2 H 1 7.213 . . 1 . . . A 111 TRP HZ2 . 25405 1 418 . 1 1 36 36 TRP HZ3 H 1 6.921 . . 1 . . . A 111 TRP HZ3 . 25405 1 419 . 1 1 36 36 TRP HH2 H 1 6.994 . . 1 . . . A 111 TRP HH2 . 25405 1 420 . 1 1 36 36 TRP C C 13 176.424 . . 1 . . . A 111 TRP C . 25405 1 421 . 1 1 36 36 TRP CB C 13 30.375 . . 1 . . . A 111 TRP CB . 25405 1 422 . 1 1 36 36 TRP CD1 C 13 127.697 . . 1 . . . A 111 TRP CD1 . 25405 1 423 . 1 1 36 36 TRP CE3 C 13 121.135 . . 1 . . . A 111 TRP CE3 . 25405 1 424 . 1 1 36 36 TRP CZ2 C 13 114.547 . . 1 . . . A 111 TRP CZ2 . 25405 1 425 . 1 1 36 36 TRP CZ3 C 13 121.573 . . 1 . . . A 111 TRP CZ3 . 25405 1 426 . 1 1 36 36 TRP CH2 C 13 123.760 . . 1 . . . A 111 TRP CH2 . 25405 1 427 . 1 1 36 36 TRP N N 15 116.600 . . 1 . . . A 111 TRP N . 25405 1 428 . 1 1 36 36 TRP NE1 N 15 131.500 . . 1 . . . A 111 TRP NE1 . 25405 1 429 . 1 1 37 37 GLY H H 1 7.520 . . 1 . . . A 112 GLY H . 25405 1 430 . 1 1 37 37 GLY HA2 H 1 4.245 . . 2 . . . A 112 GLY HA2 . 25405 1 431 . 1 1 37 37 GLY HA3 H 1 4.575 . . 2 . . . A 112 GLY HA3 . 25405 1 432 . 1 1 37 37 GLY CA C 13 43.957 . . 1 . . . A 112 GLY CA . 25405 1 433 . 1 1 37 37 GLY N N 15 111.111 . . 1 . . . A 112 GLY N . 25405 1 434 . 1 1 38 38 PRO HA H 1 3.970 . . 1 . . . A 113 PRO HA . 25405 1 435 . 1 1 38 38 PRO HB2 H 1 2.090 . . 2 . . . A 113 PRO HB2 . 25405 1 436 . 1 1 38 38 PRO HB3 H 1 2.289 . . 2 . . . A 113 PRO HB3 . 25405 1 437 . 1 1 38 38 PRO HG2 H 1 2.025 . . 2 . . . A 113 PRO HG2 . 25405 1 438 . 1 1 38 38 PRO HG3 H 1 2.213 . . 2 . . . A 113 PRO HG3 . 25405 1 439 . 1 1 38 38 PRO HD2 H 1 3.780 . . 2 . . . A 113 PRO HD2 . 25405 1 440 . 1 1 38 38 PRO HD3 H 1 3.905 . . 2 . . . A 113 PRO HD3 . 25405 1 441 . 1 1 38 38 PRO C C 13 178.341 . . 1 . . . A 113 PRO C . 25405 1 442 . 1 1 38 38 PRO CA C 13 65.860 . . 1 . . . A 113 PRO CA . 25405 1 443 . 1 1 38 38 PRO CB C 13 32.106 . . 1 . . . A 113 PRO CB . 25405 1 444 . 1 1 38 38 PRO CG C 13 27.813 . . 1 . . . A 113 PRO CG . 25405 1 445 . 1 1 38 38 PRO CD C 13 50.583 . . 1 . . . A 113 PRO CD . 25405 1 446 . 1 1 39 39 GLU H H 1 8.440 . . 1 . . . A 114 GLU H . 25405 1 447 . 1 1 39 39 GLU HA H 1 3.955 . . 1 . . . A 114 GLU HA . 25405 1 448 . 1 1 39 39 GLU HB2 H 1 1.968 . . 2 . . . A 114 GLU HB2 . 25405 1 449 . 1 1 39 39 GLU HB3 H 1 2.037 . . 2 . . . A 114 GLU HB3 . 25405 1 450 . 1 1 39 39 GLU HG2 H 1 2.291 . . 2 . . . A 114 GLU HG2 . 25405 1 451 . 1 1 39 39 GLU HG3 H 1 2.358 . . 2 . . . A 114 GLU HG3 . 25405 1 452 . 1 1 39 39 GLU C C 13 179.645 . . 1 . . . A 114 GLU C . 25405 1 453 . 1 1 39 39 GLU CA C 13 59.912 . . 1 . . . A 114 GLU CA . 25405 1 454 . 1 1 39 39 GLU CB C 13 28.713 . . 1 . . . A 114 GLU CB . 25405 1 455 . 1 1 39 39 GLU CG C 13 36.964 . . 1 . . . A 114 GLU CG . 25405 1 456 . 1 1 39 39 GLU N N 15 118.156 . . 1 . . . A 114 GLU N . 25405 1 457 . 1 1 40 40 ALA H H 1 8.156 . . 1 . . . A 115 ALA H . 25405 1 458 . 1 1 40 40 ALA HA H 1 3.933 . . 1 . . . A 115 ALA HA . 25405 1 459 . 1 1 40 40 ALA HB1 H 1 1.357 . . 1 . . . A 115 ALA HB1 . 25405 1 460 . 1 1 40 40 ALA HB2 H 1 1.357 . . 1 . . . A 115 ALA HB2 . 25405 1 461 . 1 1 40 40 ALA HB3 H 1 1.357 . . 1 . . . A 115 ALA HB3 . 25405 1 462 . 1 1 40 40 ALA C C 13 179.579 . . 1 . . . A 115 ALA C . 25405 1 463 . 1 1 40 40 ALA CA C 13 54.530 . . 1 . . . A 115 ALA CA . 25405 1 464 . 1 1 40 40 ALA CB C 13 17.863 . . 1 . . . A 115 ALA CB . 25405 1 465 . 1 1 40 40 ALA N N 15 123.599 . . 1 . . . A 115 ALA N . 25405 1 466 . 1 1 41 41 VAL H H 1 7.088 . . 1 . . . A 116 VAL H . 25405 1 467 . 1 1 41 41 VAL HA H 1 1.925 . . 1 . . . A 116 VAL HA . 25405 1 468 . 1 1 41 41 VAL HB H 1 1.645 . . 1 . . . A 116 VAL HB . 25405 1 469 . 1 1 41 41 VAL HG11 H 1 0.529 . . 2 . . . A 116 VAL HG11 . 25405 1 470 . 1 1 41 41 VAL HG12 H 1 0.529 . . 2 . . . A 116 VAL HG12 . 25405 1 471 . 1 1 41 41 VAL HG13 H 1 0.529 . . 2 . . . A 116 VAL HG13 . 25405 1 472 . 1 1 41 41 VAL HG21 H 1 0.836 . . 2 . . . A 116 VAL HG21 . 25405 1 473 . 1 1 41 41 VAL HG22 H 1 0.836 . . 2 . . . A 116 VAL HG22 . 25405 1 474 . 1 1 41 41 VAL HG23 H 1 0.836 . . 2 . . . A 116 VAL HG23 . 25405 1 475 . 1 1 41 41 VAL C C 13 178.521 . . 1 . . . A 116 VAL C . 25405 1 476 . 1 1 41 41 VAL CA C 13 64.945 . . 1 . . . A 116 VAL CA . 25405 1 477 . 1 1 41 41 VAL CB C 13 31.321 . . 1 . . . A 116 VAL CB . 25405 1 478 . 1 1 41 41 VAL CG1 C 13 23.409 . . 1 . . . A 116 VAL CG1 . 25405 1 479 . 1 1 41 41 VAL CG2 C 13 22.512 . . 1 . . . A 116 VAL CG2 . 25405 1 480 . 1 1 41 41 VAL N N 15 116.701 . . 1 . . . A 116 VAL N . 25405 1 481 . 1 1 42 42 GLU H H 1 7.863 . . 1 . . . A 117 GLU H . 25405 1 482 . 1 1 42 42 GLU HA H 1 4.435 . . 1 . . . A 117 GLU HA . 25405 1 483 . 1 1 42 42 GLU HB2 H 1 1.998 . . 2 . . . A 117 GLU HB2 . 25405 1 484 . 1 1 42 42 GLU HB3 H 1 2.132 . . 2 . . . A 117 GLU HB3 . 25405 1 485 . 1 1 42 42 GLU HG2 H 1 2.417 . . 2 . . . A 117 GLU HG2 . 25405 1 486 . 1 1 42 42 GLU HG3 H 1 2.417 . . 2 . . . A 117 GLU HG3 . 25405 1 487 . 1 1 42 42 GLU C C 13 179.423 . . 1 . . . A 117 GLU C . 25405 1 488 . 1 1 42 42 GLU CA C 13 58.707 . . 1 . . . A 117 GLU CA . 25405 1 489 . 1 1 42 42 GLU CB C 13 28.664 . . 1 . . . A 117 GLU CB . 25405 1 490 . 1 1 42 42 GLU CG C 13 35.993 . . 1 . . . A 117 GLU CG . 25405 1 491 . 1 1 42 42 GLU N N 15 116.601 . . 1 . . . A 117 GLU N . 25405 1 492 . 1 1 43 43 SER H H 1 7.570 . . 1 . . . A 118 SER H . 25405 1 493 . 1 1 43 43 SER HA H 1 4.539 . . 1 . . . A 118 SER HA . 25405 1 494 . 1 1 43 43 SER HB2 H 1 4.033 . . 2 . . . A 118 SER HB2 . 25405 1 495 . 1 1 43 43 SER HB3 H 1 4.235 . . 2 . . . A 118 SER HB3 . 25405 1 496 . 1 1 43 43 SER C C 13 175.218 . . 1 . . . A 118 SER C . 25405 1 497 . 1 1 43 43 SER CA C 13 60.573 . . 1 . . . A 118 SER CA . 25405 1 498 . 1 1 43 43 SER CB C 13 63.655 . . 1 . . . A 118 SER CB . 25405 1 499 . 1 1 43 43 SER N N 15 116.178 . . 1 . . . A 118 SER N . 25405 1 500 . 1 1 44 44 TRP H H 1 7.927 . . 1 . . . A 119 TRP H . 25405 1 501 . 1 1 44 44 TRP HA H 1 5.021 . . 1 . . . A 119 TRP HA . 25405 1 502 . 1 1 44 44 TRP HB2 H 1 3.754 . . 2 . . . A 119 TRP HB2 . 25405 1 503 . 1 1 44 44 TRP HB3 H 1 3.971 . . 2 . . . A 119 TRP HB3 . 25405 1 504 . 1 1 44 44 TRP HD1 H 1 6.870 . . 1 . . . A 119 TRP HD1 . 25405 1 505 . 1 1 44 44 TRP HE1 H 1 9.880 . . 1 . . . A 119 TRP HE1 . 25405 1 506 . 1 1 44 44 TRP HE3 H 1 7.575 . . 1 . . . A 119 TRP HE3 . 25405 1 507 . 1 1 44 44 TRP HZ2 H 1 7.012 . . 1 . . . A 119 TRP HZ2 . 25405 1 508 . 1 1 44 44 TRP HZ3 H 1 6.297 . . 1 . . . A 119 TRP HZ3 . 25405 1 509 . 1 1 44 44 TRP HH2 H 1 6.159 . . 1 . . . A 119 TRP HH2 . 25405 1 510 . 1 1 44 44 TRP C C 13 176.759 . . 1 . . . A 119 TRP C . 25405 1 511 . 1 1 44 44 TRP CA C 13 54.810 . . 1 . . . A 119 TRP CA . 25405 1 512 . 1 1 44 44 TRP CB C 13 28.687 . . 1 . . . A 119 TRP CB . 25405 1 513 . 1 1 44 44 TRP CD1 C 13 125.182 . . 1 . . . A 119 TRP CD1 . 25405 1 514 . 1 1 44 44 TRP CE3 C 13 120.698 . . 1 . . . A 119 TRP CE3 . 25405 1 515 . 1 1 44 44 TRP CZ2 C 13 113.590 . . 1 . . . A 119 TRP CZ2 . 25405 1 516 . 1 1 44 44 TRP CZ3 C 13 121.026 . . 1 . . . A 119 TRP CZ3 . 25405 1 517 . 1 1 44 44 TRP CH2 C 13 124.088 . . 1 . . . A 119 TRP CH2 . 25405 1 518 . 1 1 44 44 TRP N N 15 124.614 . . 1 . . . A 119 TRP N . 25405 1 519 . 1 1 44 44 TRP NE1 N 15 128.612 . . 1 . . . A 119 TRP NE1 . 25405 1 520 . 1 1 45 45 ALA H H 1 7.304 . . 1 . . . A 120 ALA H . 25405 1 521 . 1 1 45 45 ALA HA H 1 4.761 . . 1 . . . A 120 ALA HA . 25405 1 522 . 1 1 45 45 ALA HB1 H 1 0.866 . . 1 . . . A 120 ALA HB1 . 25405 1 523 . 1 1 45 45 ALA HB2 H 1 0.866 . . 1 . . . A 120 ALA HB2 . 25405 1 524 . 1 1 45 45 ALA HB3 H 1 0.866 . . 1 . . . A 120 ALA HB3 . 25405 1 525 . 1 1 45 45 ALA C C 13 178.400 . . 1 . . . A 120 ALA C . 25405 1 526 . 1 1 45 45 ALA CA C 13 51.775 . . 1 . . . A 120 ALA CA . 25405 1 527 . 1 1 45 45 ALA CB C 13 19.824 . . 1 . . . A 120 ALA CB . 25405 1 528 . 1 1 45 45 ALA N N 15 122.821 . . 1 . . . A 120 ALA N . 25405 1 529 . 1 1 46 46 THR H H 1 8.689 . . 1 . . . A 121 THR H . 25405 1 530 . 1 1 46 46 THR HA H 1 4.395 . . 1 . . . A 121 THR HA . 25405 1 531 . 1 1 46 46 THR HB H 1 4.051 . . 1 . . . A 121 THR HB . 25405 1 532 . 1 1 46 46 THR HG21 H 1 1.159 . . 1 . . . A 121 THR HG21 . 25405 1 533 . 1 1 46 46 THR HG22 H 1 1.159 . . 1 . . . A 121 THR HG22 . 25405 1 534 . 1 1 46 46 THR HG23 H 1 1.159 . . 1 . . . A 121 THR HG23 . 25405 1 535 . 1 1 46 46 THR C C 13 173.569 . . 1 . . . A 121 THR C . 25405 1 536 . 1 1 46 46 THR CA C 13 61.393 . . 1 . . . A 121 THR CA . 25405 1 537 . 1 1 46 46 THR CB C 13 71.097 . . 1 . . . A 121 THR CB . 25405 1 538 . 1 1 46 46 THR CG2 C 13 21.483 . . 1 . . . A 121 THR CG2 . 25405 1 539 . 1 1 46 46 THR N N 15 116.811 . . 1 . . . A 121 THR N . 25405 1 540 . 1 1 47 47 LEU H H 1 8.486 . . 1 . . . A 122 LEU H . 25405 1 541 . 1 1 47 47 LEU HA H 1 4.541 . . 1 . . . A 122 LEU HA . 25405 1 542 . 1 1 47 47 LEU HB2 H 1 1.511 . . 2 . . . A 122 LEU HB2 . 25405 1 543 . 1 1 47 47 LEU HB3 H 1 1.567 . . 2 . . . A 122 LEU HB3 . 25405 1 544 . 1 1 47 47 LEU HG H 1 1.575 . . 1 . . . A 122 LEU HG . 25405 1 545 . 1 1 47 47 LEU HD11 H 1 0.785 . . 2 . . . A 122 LEU HD11 . 25405 1 546 . 1 1 47 47 LEU HD12 H 1 0.785 . . 2 . . . A 122 LEU HD12 . 25405 1 547 . 1 1 47 47 LEU HD13 H 1 0.785 . . 2 . . . A 122 LEU HD13 . 25405 1 548 . 1 1 47 47 LEU HD21 H 1 0.844 . . 2 . . . A 122 LEU HD21 . 25405 1 549 . 1 1 47 47 LEU HD22 H 1 0.844 . . 2 . . . A 122 LEU HD22 . 25405 1 550 . 1 1 47 47 LEU HD23 H 1 0.844 . . 2 . . . A 122 LEU HD23 . 25405 1 551 . 1 1 47 47 LEU C C 13 176.974 . . 1 . . . A 122 LEU C . 25405 1 552 . 1 1 47 47 LEU CA C 13 55.013 . . 1 . . . A 122 LEU CA . 25405 1 553 . 1 1 47 47 LEU CB C 13 42.365 . . 1 . . . A 122 LEU CB . 25405 1 554 . 1 1 47 47 LEU CG C 13 27.029 . . 1 . . . A 122 LEU CG . 25405 1 555 . 1 1 47 47 LEU CD1 C 13 24.128 . . 1 . . . A 122 LEU CD1 . 25405 1 556 . 1 1 47 47 LEU CD2 C 13 24.704 . . 1 . . . A 122 LEU CD2 . 25405 1 557 . 1 1 47 47 LEU N N 15 125.883 . . 1 . . . A 122 LEU N . 25405 1 558 . 1 1 48 48 LEU H H 1 8.409 . . 1 . . . A 123 LEU H . 25405 1 559 . 1 1 48 48 LEU HA H 1 4.361 . . 1 . . . A 123 LEU HA . 25405 1 560 . 1 1 48 48 LEU HB2 H 1 1.516 . . 2 . . . A 123 LEU HB2 . 25405 1 561 . 1 1 48 48 LEU HB3 H 1 1.568 . . 2 . . . A 123 LEU HB3 . 25405 1 562 . 1 1 48 48 LEU HG H 1 1.518 . . 1 . . . A 123 LEU HG . 25405 1 563 . 1 1 48 48 LEU HD11 H 1 0.761 . . 2 . . . A 123 LEU HD11 . 25405 1 564 . 1 1 48 48 LEU HD12 H 1 0.761 . . 2 . . . A 123 LEU HD12 . 25405 1 565 . 1 1 48 48 LEU HD13 H 1 0.761 . . 2 . . . A 123 LEU HD13 . 25405 1 566 . 1 1 48 48 LEU HD21 H 1 0.802 . . 2 . . . A 123 LEU HD21 . 25405 1 567 . 1 1 48 48 LEU HD22 H 1 0.802 . . 2 . . . A 123 LEU HD22 . 25405 1 568 . 1 1 48 48 LEU HD23 H 1 0.802 . . 2 . . . A 123 LEU HD23 . 25405 1 569 . 1 1 48 48 LEU C C 13 177.665 . . 1 . . . A 123 LEU C . 25405 1 570 . 1 1 48 48 LEU CA C 13 55.096 . . 1 . . . A 123 LEU CA . 25405 1 571 . 1 1 48 48 LEU CB C 13 42.523 . . 1 . . . A 123 LEU CB . 25405 1 572 . 1 1 48 48 LEU CG C 13 27.023 . . 1 . . . A 123 LEU CG . 25405 1 573 . 1 1 48 48 LEU CD1 C 13 23.426 . . 1 . . . A 123 LEU CD1 . 25405 1 574 . 1 1 48 48 LEU CD2 C 13 25.117 . . 1 . . . A 123 LEU CD2 . 25405 1 575 . 1 1 48 48 LEU N N 15 125.350 . . 1 . . . A 123 LEU N . 25405 1 576 . 1 1 49 49 GLY H H 1 8.461 . . 1 . . . A 124 GLY H . 25405 1 577 . 1 1 49 49 GLY HA2 H 1 3.918 . . 2 . . . A 124 GLY HA2 . 25405 1 578 . 1 1 49 49 GLY HA3 H 1 3.918 . . 2 . . . A 124 GLY HA3 . 25405 1 579 . 1 1 49 49 GLY C C 13 173.812 . . 1 . . . A 124 GLY C . 25405 1 580 . 1 1 49 49 GLY CA C 13 45.300 . . 1 . . . A 124 GLY CA . 25405 1 581 . 1 1 49 49 GLY N N 15 110.271 . . 1 . . . A 124 GLY N . 25405 1 582 . 1 1 50 50 HIS H H 1 8.295 . . 1 . . . A 125 HIS H . 25405 1 583 . 1 1 50 50 HIS HA H 1 4.596 . . 1 . . . A 125 HIS HA . 25405 1 584 . 1 1 50 50 HIS HB2 H 1 3.008 . . 2 . . . A 125 HIS HB2 . 25405 1 585 . 1 1 50 50 HIS HB3 H 1 3.085 . . 2 . . . A 125 HIS HB3 . 25405 1 586 . 1 1 50 50 HIS CA C 13 55.994 . . 1 . . . A 125 HIS CA . 25405 1 587 . 1 1 50 50 HIS CB C 13 30.072 . . 1 . . . A 125 HIS CB . 25405 1 588 . 1 1 50 50 HIS N N 15 119.498 . . 1 . . . A 125 HIS N . 25405 1 stop_ save_