data_25887 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25887 _Entry.Title ; Solution structure of the SLURP-2, a secreted isoform of Lynx1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-11-11 _Entry.Accession_date 2015-11-11 _Entry.Last_release_date 2016-09-15 _Entry.Original_release_date 2016-09-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Alexander Paramonov . S. . . 25887 2 Zakhar Shenkarev . O. . . 25887 3 Ekaterina Lyukmanova . N. . . 25887 4 Alexander Arseniev . S. . . 25887 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' . 25887 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Ly-6 . 25887 Lynx . 25887 SLURP . 25887 SLURP-2 . 25887 'cell proliferation' . 25887 epithelium . 25887 keratinocyte . 25887 'muscarinic acetylcholine receptor' . 25887 neuromodulator . 25887 'nicotinic acetylcholine receptor' . 25887 'three-finger protein' . 25887 uPAR . 25887 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25887 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 300 25887 '15N chemical shifts' 78 25887 '1H chemical shifts' 488 25887 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 . . 2016-09-15 . original BMRB . 25887 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N99 'BMRB Entry Tracking System' 25887 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25887 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 27485575 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Secreted Isoform of Human Lynx1 (SLURP-2): Spatial Structure and Pharmacology of Interactions with Different Types of Acetylcholine Receptors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _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 30698 _Citation.Page_last 30698 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 E. Lyukmanova . N. . . 25887 1 2 M. Shulepko . A. . . 25887 1 3 Z. Shenkarev . O. . . 25887 1 4 M. Bychkov . L. . . 25887 1 5 A. Paramonov . S. . . 25887 1 6 A. Chugunov . O. . . 25887 1 7 D. Kulbatskii . S. . . 25887 1 8 M. Arvaniti . . . . 25887 1 9 E. Dolejsi . . . . 25887 1 10 T. Schaer . . . . 25887 1 11 A. Arseniev . S. . . 25887 1 12 R. Efremov . G. . . 25887 1 13 M. Thomsen . S. . . 25887 1 14 V. Dolezal . . . . 25887 1 15 D. Bertrand . . . . 25887 1 16 D. Dolgikh . A. . . 25887 1 17 M. Kirpichnikov . P. . . 25887 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25887 _Assembly.ID 1 _Assembly.Name 'SLURP-2, a secreted isoform of Lynx1' _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 SLURP-2 1 $SLURP-2 A . yes native no no . . . 25887 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SLURP-2 _Entity.Sf_category entity _Entity.Sf_framecode SLURP-2 _Entity.Entry_ID 25887 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SLURP-2 _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 ; MIWCHQCTGFGGCSHGSRCL RDSTHCVTTATRVLSNTEDL PLVTKMCHIGCPDIPSLGLG PYVSIACCQTSLCNHD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Sequence is numbered from 100 (M100, I101 ...)' _Entity.Polymer_author_seq_details 'Residue M100 was added due to recombinant production' _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8163.446 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 100 MET . 25887 1 2 101 ILE . 25887 1 3 102 TRP . 25887 1 4 103 CYS . 25887 1 5 104 HIS . 25887 1 6 105 GLN . 25887 1 7 106 CYS . 25887 1 8 107 THR . 25887 1 9 108 GLY . 25887 1 10 109 PHE . 25887 1 11 110 GLY . 25887 1 12 111 GLY . 25887 1 13 112 CYS . 25887 1 14 113 SER . 25887 1 15 114 HIS . 25887 1 16 115 GLY . 25887 1 17 116 SER . 25887 1 18 117 ARG . 25887 1 19 118 CYS . 25887 1 20 119 LEU . 25887 1 21 120 ARG . 25887 1 22 121 ASP . 25887 1 23 122 SER . 25887 1 24 123 THR . 25887 1 25 124 HIS . 25887 1 26 125 CYS . 25887 1 27 126 VAL . 25887 1 28 127 THR . 25887 1 29 128 THR . 25887 1 30 129 ALA . 25887 1 31 130 THR . 25887 1 32 131 ARG . 25887 1 33 132 VAL . 25887 1 34 133 LEU . 25887 1 35 134 SER . 25887 1 36 135 ASN . 25887 1 37 136 THR . 25887 1 38 137 GLU . 25887 1 39 138 ASP . 25887 1 40 139 LEU . 25887 1 41 140 PRO . 25887 1 42 141 LEU . 25887 1 43 142 VAL . 25887 1 44 143 THR . 25887 1 45 144 LYS . 25887 1 46 145 MET . 25887 1 47 146 CYS . 25887 1 48 147 HIS . 25887 1 49 148 ILE . 25887 1 50 149 GLY . 25887 1 51 150 CYS . 25887 1 52 151 PRO . 25887 1 53 152 ASP . 25887 1 54 153 ILE . 25887 1 55 154 PRO . 25887 1 56 155 SER . 25887 1 57 156 LEU . 25887 1 58 157 GLY . 25887 1 59 158 LEU . 25887 1 60 159 GLY . 25887 1 61 160 PRO . 25887 1 62 161 TYR . 25887 1 63 162 VAL . 25887 1 64 163 SER . 25887 1 65 164 ILE . 25887 1 66 165 ALA . 25887 1 67 166 CYS . 25887 1 68 167 CYS . 25887 1 69 168 GLN . 25887 1 70 169 THR . 25887 1 71 170 SER . 25887 1 72 171 LEU . 25887 1 73 172 CYS . 25887 1 74 173 ASN . 25887 1 75 174 HIS . 25887 1 76 175 ASP . 25887 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 25887 1 . ILE 2 2 25887 1 . TRP 3 3 25887 1 . CYS 4 4 25887 1 . HIS 5 5 25887 1 . GLN 6 6 25887 1 . CYS 7 7 25887 1 . THR 8 8 25887 1 . GLY 9 9 25887 1 . PHE 10 10 25887 1 . GLY 11 11 25887 1 . GLY 12 12 25887 1 . CYS 13 13 25887 1 . SER 14 14 25887 1 . HIS 15 15 25887 1 . GLY 16 16 25887 1 . SER 17 17 25887 1 . ARG 18 18 25887 1 . CYS 19 19 25887 1 . LEU 20 20 25887 1 . ARG 21 21 25887 1 . ASP 22 22 25887 1 . SER 23 23 25887 1 . THR 24 24 25887 1 . HIS 25 25 25887 1 . CYS 26 26 25887 1 . VAL 27 27 25887 1 . THR 28 28 25887 1 . THR 29 29 25887 1 . ALA 30 30 25887 1 . THR 31 31 25887 1 . ARG 32 32 25887 1 . VAL 33 33 25887 1 . LEU 34 34 25887 1 . SER 35 35 25887 1 . ASN 36 36 25887 1 . THR 37 37 25887 1 . GLU 38 38 25887 1 . ASP 39 39 25887 1 . LEU 40 40 25887 1 . PRO 41 41 25887 1 . LEU 42 42 25887 1 . VAL 43 43 25887 1 . THR 44 44 25887 1 . LYS 45 45 25887 1 . MET 46 46 25887 1 . CYS 47 47 25887 1 . HIS 48 48 25887 1 . ILE 49 49 25887 1 . GLY 50 50 25887 1 . CYS 51 51 25887 1 . PRO 52 52 25887 1 . ASP 53 53 25887 1 . ILE 54 54 25887 1 . PRO 55 55 25887 1 . SER 56 56 25887 1 . LEU 57 57 25887 1 . GLY 58 58 25887 1 . LEU 59 59 25887 1 . GLY 60 60 25887 1 . PRO 61 61 25887 1 . TYR 62 62 25887 1 . VAL 63 63 25887 1 . SER 64 64 25887 1 . ILE 65 65 25887 1 . ALA 66 66 25887 1 . CYS 67 67 25887 1 . CYS 68 68 25887 1 . GLN 69 69 25887 1 . THR 70 70 25887 1 . SER 71 71 25887 1 . LEU 72 72 25887 1 . CYS 73 73 25887 1 . ASN 74 74 25887 1 . HIS 75 75 25887 1 . ASP 76 76 25887 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 25887 _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 $SLURP-2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25887 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 25887 _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 $SLURP-2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET-22b(+) . . . 25887 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25887 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O/5% dioxane-d6' _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 SLURP-2 '[U-99% 13C; U-99% 15N]' . . 1 $SLURP-2 . . 0.5 . . mM . . . . 25887 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25887 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25887 1 4 dioxane-d6 'natural abundance' . . . . . . 5 . . % . . . . 25887 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 25887 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 10 . mM 25887 1 pH 5.0 . pH 25887 1 pressure 1 . atm 25887 1 temperature 315 . K 25887 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25887 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25887 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 25887 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25887 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25887 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 25887 2 . processing 25887 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25887 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25887 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 25887 3 . 'peak picking' 25887 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25887 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25887 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 25887 4 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 25887 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25887 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . . . 25887 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 25887 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25887 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25887 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25887 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25887 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25887 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25887 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25887 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25887 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25887 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25887 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25887 1 12 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25887 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 25887 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25887 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25887 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25887 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 25887 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 3 '3D HNCO' . . . 25887 1 5 '3D HNCACB' . . . 25887 1 7 '3D HCCH-TOCSY' . . . 25887 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CARA . . 25887 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 4.454 0.01 . 1 . . . . A 100 MET HA . 25887 1 2 . 1 . 1 1 1 MET HB2 H 1 2.170 0.01 . 1 . . . . A 100 MET HB2 . 25887 1 3 . 1 . 1 1 1 MET HB3 H 1 2.170 0.01 . 1 . . . . A 100 MET HB3 . 25887 1 4 . 1 . 1 1 1 MET HG2 H 1 2.612 0.01 . 2 . . . . A 100 MET HG2 . 25887 1 5 . 1 . 1 1 1 MET HG3 H 1 2.504 0.01 . 2 . . . . A 100 MET HG3 . 25887 1 6 . 1 . 1 1 1 MET HE1 H 1 2.054 0.01 . 1 . . . . A 100 MET HE1 . 25887 1 7 . 1 . 1 1 1 MET HE2 H 1 2.054 0.01 . 1 . . . . A 100 MET HE2 . 25887 1 8 . 1 . 1 1 1 MET HE3 H 1 2.054 0.01 . 1 . . . . A 100 MET HE3 . 25887 1 9 . 1 . 1 1 1 MET C C 13 171.458 0.1 . 1 . . . . A 100 MET C . 25887 1 10 . 1 . 1 1 1 MET CA C 13 54.631 0.1 . 1 . . . . A 100 MET CA . 25887 1 11 . 1 . 1 1 1 MET CB C 13 32.134 0.1 . 1 . . . . A 100 MET CB . 25887 1 12 . 1 . 1 1 1 MET CG C 13 30.832 0.1 . 1 . . . . A 100 MET CG . 25887 1 13 . 1 . 1 1 1 MET CE C 13 16.395 0.1 . 1 . . . . A 100 MET CE . 25887 1 14 . 1 . 1 2 2 ILE H H 1 8.681 0.01 . 1 . . . . A 101 ILE H . 25887 1 15 . 1 . 1 2 2 ILE HA H 1 4.608 0.01 . 1 . . . . A 101 ILE HA . 25887 1 16 . 1 . 1 2 2 ILE HB H 1 1.769 0.01 . 1 . . . . A 101 ILE HB . 25887 1 17 . 1 . 1 2 2 ILE HG12 H 1 1.142 0.01 . 2 . . . . A 101 ILE HG12 . 25887 1 18 . 1 . 1 2 2 ILE HG13 H 1 1.415 0.01 . 2 . . . . A 101 ILE HG13 . 25887 1 19 . 1 . 1 2 2 ILE HG21 H 1 0.742 0.01 . 1 . . . . A 101 ILE HG21 . 25887 1 20 . 1 . 1 2 2 ILE HG22 H 1 0.742 0.01 . 1 . . . . A 101 ILE HG22 . 25887 1 21 . 1 . 1 2 2 ILE HG23 H 1 0.742 0.01 . 1 . . . . A 101 ILE HG23 . 25887 1 22 . 1 . 1 2 2 ILE HD11 H 1 0.589 0.01 . 1 . . . . A 101 ILE HD11 . 25887 1 23 . 1 . 1 2 2 ILE HD12 H 1 0.589 0.01 . 1 . . . . A 101 ILE HD12 . 25887 1 24 . 1 . 1 2 2 ILE HD13 H 1 0.589 0.01 . 1 . . . . A 101 ILE HD13 . 25887 1 25 . 1 . 1 2 2 ILE C C 13 172.659 0.1 . 1 . . . . A 101 ILE C . 25887 1 26 . 1 . 1 2 2 ILE CA C 13 60.654 0.1 . 1 . . . . A 101 ILE CA . 25887 1 27 . 1 . 1 2 2 ILE CB C 13 41.301 0.1 . 1 . . . . A 101 ILE CB . 25887 1 28 . 1 . 1 2 2 ILE CG1 C 13 27.328 0.1 . 1 . . . . A 101 ILE CG1 . 25887 1 29 . 1 . 1 2 2 ILE CG2 C 13 15.64 0.1 . 1 . . . . A 101 ILE CG2 . 25887 1 30 . 1 . 1 2 2 ILE CD1 C 13 13.295 0.1 . 1 . . . . A 101 ILE CD1 . 25887 1 31 . 1 . 1 2 2 ILE N N 15 123.543 0.1 . 1 . . . . A 101 ILE N . 25887 1 32 . 1 . 1 3 3 TRP H H 1 8.008 0.01 . 1 . . . . A 102 TRP H . 25887 1 33 . 1 . 1 3 3 TRP HA H 1 5.098 0.01 . 1 . . . . A 102 TRP HA . 25887 1 34 . 1 . 1 3 3 TRP HB2 H 1 2.832 0.01 . 1 . . . . A 102 TRP HB2 . 25887 1 35 . 1 . 1 3 3 TRP HB3 H 1 2.832 0.01 . 1 . . . . A 102 TRP HB3 . 25887 1 36 . 1 . 1 3 3 TRP HD1 H 1 7.141 0.01 . 1 . . . . A 102 TRP HD1 . 25887 1 37 . 1 . 1 3 3 TRP HE1 H 1 10.171 0.01 . 1 . . . . A 102 TRP HE1 . 25887 1 38 . 1 . 1 3 3 TRP HE3 H 1 7.047 0.01 . 1 . . . . A 102 TRP HE3 . 25887 1 39 . 1 . 1 3 3 TRP HZ2 H 1 7.463 0.01 . 1 . . . . A 102 TRP HZ2 . 25887 1 40 . 1 . 1 3 3 TRP HZ3 H 1 6.996 0.01 . 1 . . . . A 102 TRP HZ3 . 25887 1 41 . 1 . 1 3 3 TRP HH2 H 1 7.212 0.01 . 1 . . . . A 102 TRP HH2 . 25887 1 42 . 1 . 1 3 3 TRP C C 13 175.757 0.1 . 1 . . . . A 102 TRP C . 25887 1 43 . 1 . 1 3 3 TRP CA C 13 55.779 0.1 . 1 . . . . A 102 TRP CA . 25887 1 44 . 1 . 1 3 3 TRP CB C 13 30.206 0.1 . 1 . . . . A 102 TRP CB . 25887 1 45 . 1 . 1 3 3 TRP CD1 C 13 125.391 0.1 . 1 . . . . A 102 TRP CD1 . 25887 1 46 . 1 . 1 3 3 TRP CE3 C 13 119.8 0.1 . 1 . . . . A 102 TRP CE3 . 25887 1 47 . 1 . 1 3 3 TRP CZ2 C 13 114.548 0.1 . 1 . . . . A 102 TRP CZ2 . 25887 1 48 . 1 . 1 3 3 TRP CZ3 C 13 122.086 0.1 . 1 . . . . A 102 TRP CZ3 . 25887 1 49 . 1 . 1 3 3 TRP CH2 C 13 124.845 0.1 . 1 . . . . A 102 TRP CH2 . 25887 1 50 . 1 . 1 3 3 TRP N N 15 123.817 0.1 . 1 . . . . A 102 TRP N . 25887 1 51 . 1 . 1 3 3 TRP NE1 N 15 129.856 0.1 . 1 . . . . A 102 TRP NE1 . 25887 1 52 . 1 . 1 4 4 CYS H H 1 8.481 0.01 . 1 . . . . A 103 CYS H . 25887 1 53 . 1 . 1 4 4 CYS HA H 1 5.095 0.01 . 1 . . . . A 103 CYS HA . 25887 1 54 . 1 . 1 4 4 CYS HB2 H 1 2.701 0.01 . 2 . . . . A 103 CYS HB2 . 25887 1 55 . 1 . 1 4 4 CYS HB3 H 1 3.019 0.01 . 2 . . . . A 103 CYS HB3 . 25887 1 56 . 1 . 1 4 4 CYS C C 13 175.07 0.1 . 1 . . . . A 103 CYS C . 25887 1 57 . 1 . 1 4 4 CYS CA C 13 52.011 0.1 . 1 . . . . A 103 CYS CA . 25887 1 58 . 1 . 1 4 4 CYS CB C 13 41.944 0.1 . 1 . . . . A 103 CYS CB . 25887 1 59 . 1 . 1 4 4 CYS N N 15 116.424 0.1 . 1 . . . . A 103 CYS N . 25887 1 60 . 1 . 1 5 5 HIS H H 1 9.364 0.01 . 1 . . . . A 104 HIS H . 25887 1 61 . 1 . 1 5 5 HIS HA H 1 4.596 0.01 . 1 . . . . A 104 HIS HA . 25887 1 62 . 1 . 1 5 5 HIS HB2 H 1 2.693 0.01 . 1 . . . . A 104 HIS HB2 . 25887 1 63 . 1 . 1 5 5 HIS HB3 H 1 2.693 0.01 . 1 . . . . A 104 HIS HB3 . 25887 1 64 . 1 . 1 5 5 HIS HD2 H 1 6.588 0.01 . 1 . . . . A 104 HIS HD2 . 25887 1 65 . 1 . 1 5 5 HIS HE1 H 1 7.843 0.01 . 1 . . . . A 104 HIS HE1 . 25887 1 66 . 1 . 1 5 5 HIS C C 13 176.075 0.1 . 1 . . . . A 104 HIS C . 25887 1 67 . 1 . 1 5 5 HIS CA C 13 58.733 0.1 . 1 . . . . A 104 HIS CA . 25887 1 68 . 1 . 1 5 5 HIS CB C 13 30.984 0.1 . 1 . . . . A 104 HIS CB . 25887 1 69 . 1 . 1 5 5 HIS CD2 C 13 115.497 0.1 . 1 . . . . A 104 HIS CD2 . 25887 1 70 . 1 . 1 5 5 HIS CE1 C 13 139.517 0.1 . 1 . . . . A 104 HIS CE1 . 25887 1 71 . 1 . 1 5 5 HIS N N 15 123.159 0.1 . 1 . . . . A 104 HIS N . 25887 1 72 . 1 . 1 6 6 GLN H H 1 8.108 0.01 . 1 . . . . A 105 GLN H . 25887 1 73 . 1 . 1 6 6 GLN HA H 1 4.978 0.01 . 1 . . . . A 105 GLN HA . 25887 1 74 . 1 . 1 6 6 GLN HB2 H 1 1.931 0.01 . 2 . . . . A 105 GLN HB2 . 25887 1 75 . 1 . 1 6 6 GLN HB3 H 1 2.229 0.01 . 2 . . . . A 105 GLN HB3 . 25887 1 76 . 1 . 1 6 6 GLN HG2 H 1 2.259 0.01 . 2 . . . . A 105 GLN HG2 . 25887 1 77 . 1 . 1 6 6 GLN HG3 H 1 2.052 0.01 . 2 . . . . A 105 GLN HG3 . 25887 1 78 . 1 . 1 6 6 GLN HE21 H 1 6.750 0.01 . 2 . . . . A 105 GLN HE21 . 25887 1 79 . 1 . 1 6 6 GLN HE22 H 1 6.247 0.01 . 2 . . . . A 105 GLN HE22 . 25887 1 80 . 1 . 1 6 6 GLN C C 13 173.623 0.1 . 1 . . . . A 105 GLN C . 25887 1 81 . 1 . 1 6 6 GLN CA C 13 54.369 0.1 . 1 . . . . A 105 GLN CA . 25887 1 82 . 1 . 1 6 6 GLN CB C 13 30.782 0.1 . 1 . . . . A 105 GLN CB . 25887 1 83 . 1 . 1 6 6 GLN CG C 13 34.599 0.1 . 1 . . . . A 105 GLN CG . 25887 1 84 . 1 . 1 6 6 GLN N N 15 123.570 0.1 . 1 . . . . A 105 GLN N . 25887 1 85 . 1 . 1 6 6 GLN NE2 N 15 115.086 0.1 . 1 . . . . A 105 GLN NE2 . 25887 1 86 . 1 . 1 7 7 CYS H H 1 8.458 0.01 . 1 . . . . A 106 CYS H . 25887 1 87 . 1 . 1 7 7 CYS HA H 1 4.951 0.01 . 1 . . . . A 106 CYS HA . 25887 1 88 . 1 . 1 7 7 CYS HB2 H 1 3.611 0.01 . 2 . . . . A 106 CYS HB2 . 25887 1 89 . 1 . 1 7 7 CYS HB3 H 1 3.441 0.01 . 2 . . . . A 106 CYS HB3 . 25887 1 90 . 1 . 1 7 7 CYS C C 13 171.12 0.1 . 1 . . . . A 106 CYS C . 25887 1 91 . 1 . 1 7 7 CYS CA C 13 53.907 0.1 . 1 . . . . A 106 CYS CA . 25887 1 92 . 1 . 1 7 7 CYS CB C 13 40.639 0.1 . 1 . . . . A 106 CYS CB . 25887 1 93 . 1 . 1 7 7 CYS N N 15 118.604 0.1 . 1 . . . . A 106 CYS N . 25887 1 94 . 1 . 1 8 8 THR H H 1 8.400 0.01 . 1 . . . . A 107 THR H . 25887 1 95 . 1 . 1 8 8 THR HA H 1 5.500 0.01 . 1 . . . . A 107 THR HA . 25887 1 96 . 1 . 1 8 8 THR HB H 1 3.954 0.01 . 1 . . . . A 107 THR HB . 25887 1 97 . 1 . 1 8 8 THR HG21 H 1 1.161 0.01 . 1 . . . . A 107 THR HG21 . 25887 1 98 . 1 . 1 8 8 THR HG22 H 1 1.161 0.01 . 1 . . . . A 107 THR HG22 . 25887 1 99 . 1 . 1 8 8 THR HG23 H 1 1.161 0.01 . 1 . . . . A 107 THR HG23 . 25887 1 100 . 1 . 1 8 8 THR C C 13 173.592 0.1 . 1 . . . . A 107 THR C . 25887 1 101 . 1 . 1 8 8 THR CA C 13 60.161 0.1 . 1 . . . . A 107 THR CA . 25887 1 102 . 1 . 1 8 8 THR CB C 13 71.879 0.1 . 1 . . . . A 107 THR CB . 25887 1 103 . 1 . 1 8 8 THR CG2 C 13 20.98 0.1 . 1 . . . . A 107 THR CG2 . 25887 1 104 . 1 . 1 8 8 THR N N 15 113.541 0.1 . 1 . . . . A 107 THR N . 25887 1 105 . 1 . 1 9 9 GLY H H 1 8.817 0.01 . 1 . . . . A 108 GLY H . 25887 1 106 . 1 . 1 9 9 GLY HA2 H 1 4.115 0.01 . 1 . . . . A 108 GLY HA2 . 25887 1 107 . 1 . 1 9 9 GLY HA3 H 1 4.115 0.01 . 1 . . . . A 108 GLY HA3 . 25887 1 108 . 1 . 1 9 9 GLY C C 13 171.694 0.1 . 1 . . . . A 108 GLY C . 25887 1 109 . 1 . 1 9 9 GLY CA C 13 45.448 0.1 . 1 . . . . A 108 GLY CA . 25887 1 110 . 1 . 1 9 9 GLY N N 15 110.549 0.1 . 1 . . . . A 108 GLY N . 25887 1 111 . 1 . 1 10 10 PHE H H 1 8.924 0.01 . 1 . . . . A 109 PHE H . 25887 1 112 . 1 . 1 10 10 PHE HA H 1 5.124 0.01 . 1 . . . . A 109 PHE HA . 25887 1 113 . 1 . 1 10 10 PHE HB2 H 1 2.960 0.01 . 1 . . . . A 109 PHE HB2 . 25887 1 114 . 1 . 1 10 10 PHE HB3 H 1 2.960 0.01 . 1 . . . . A 109 PHE HB3 . 25887 1 115 . 1 . 1 10 10 PHE HD1 H 1 7.281 0.01 . 1 . . . . A 109 PHE HD1 . 25887 1 116 . 1 . 1 10 10 PHE HD2 H 1 7.281 0.01 . 1 . . . . A 109 PHE HD2 . 25887 1 117 . 1 . 1 10 10 PHE HE1 H 1 7.380 0.01 . 1 . . . . A 109 PHE HE1 . 25887 1 118 . 1 . 1 10 10 PHE HE2 H 1 7.380 0.01 . 1 . . . . A 109 PHE HE2 . 25887 1 119 . 1 . 1 10 10 PHE HZ H 1 7.318 0.01 . 1 . . . . A 109 PHE HZ . 25887 1 120 . 1 . 1 10 10 PHE C C 13 177.225 0.1 . 1 . . . . A 109 PHE C . 25887 1 121 . 1 . 1 10 10 PHE CA C 13 58.438 0.1 . 1 . . . . A 109 PHE CA . 25887 1 122 . 1 . 1 10 10 PHE CB C 13 38.408 0.1 . 1 . . . . A 109 PHE CB . 25887 1 123 . 1 . 1 10 10 PHE CD1 C 13 132.02 0.1 . 1 . . . . A 109 PHE CD1 . 25887 1 124 . 1 . 1 10 10 PHE CE1 C 13 131.616 0.1 . 1 . . . . A 109 PHE CE1 . 25887 1 125 . 1 . 1 10 10 PHE CZ C 13 129.718 0.1 . 1 . . . . A 109 PHE CZ . 25887 1 126 . 1 . 1 10 10 PHE N N 15 120.830 0.1 . 1 . . . . A 109 PHE N . 25887 1 127 . 1 . 1 11 11 GLY H H 1 9.442 0.01 . 1 . . . . A 110 GLY H . 25887 1 128 . 1 . 1 11 11 GLY HA2 H 1 4.430 0.01 . 2 . . . . A 110 GLY HA2 . 25887 1 129 . 1 . 1 11 11 GLY HA3 H 1 3.580 0.01 . 2 . . . . A 110 GLY HA3 . 25887 1 130 . 1 . 1 11 11 GLY C C 13 172.546 0.1 . 1 . . . . A 110 GLY C . 25887 1 131 . 1 . 1 11 11 GLY CA C 13 45.708 0.1 . 1 . . . . A 110 GLY CA . 25887 1 132 . 1 . 1 11 11 GLY N N 15 113.069 0.1 . 1 . . . . A 110 GLY N . 25887 1 133 . 1 . 1 12 12 GLY H H 1 7.095 0.01 . 1 . . . . A 111 GLY H . 25887 1 134 . 1 . 1 12 12 GLY HA2 H 1 4.433 0.01 . 2 . . . . A 111 GLY HA2 . 25887 1 135 . 1 . 1 12 12 GLY HA3 H 1 3.550 0.01 . 2 . . . . A 111 GLY HA3 . 25887 1 136 . 1 . 1 12 12 GLY C C 13 171.664 0.1 . 1 . . . . A 111 GLY C . 25887 1 137 . 1 . 1 12 12 GLY CA C 13 44.256 0.1 . 1 . . . . A 111 GLY CA . 25887 1 138 . 1 . 1 12 12 GLY N N 15 106.335 0.1 . 1 . . . . A 111 GLY N . 25887 1 139 . 1 . 1 13 13 CYS H H 1 8.477 0.01 . 1 . . . . A 112 CYS H . 25887 1 140 . 1 . 1 13 13 CYS HA H 1 4.756 0.01 . 1 . . . . A 112 CYS HA . 25887 1 141 . 1 . 1 13 13 CYS HB2 H 1 3.588 0.01 . 2 . . . . A 112 CYS HB2 . 25887 1 142 . 1 . 1 13 13 CYS HB3 H 1 3.205 0.01 . 2 . . . . A 112 CYS HB3 . 25887 1 143 . 1 . 1 13 13 CYS C C 13 171.027 0.1 . 1 . . . . A 112 CYS C . 25887 1 144 . 1 . 1 13 13 CYS CA C 13 56.123 0.1 . 1 . . . . A 112 CYS CA . 25887 1 145 . 1 . 1 13 13 CYS CB C 13 41.79 0.1 . 1 . . . . A 112 CYS CB . 25887 1 146 . 1 . 1 13 13 CYS N N 15 111.804 0.1 . 1 . . . . A 112 CYS N . 25887 1 147 . 1 . 1 14 14 SER H H 1 8.693 0.01 . 1 . . . . A 113 SER H . 25887 1 148 . 1 . 1 14 14 SER HA H 1 4.603 0.01 . 1 . . . . A 113 SER HA . 25887 1 149 . 1 . 1 14 14 SER HB2 H 1 3.784 0.01 . 2 . . . . A 113 SER HB2 . 25887 1 150 . 1 . 1 14 14 SER HB3 H 1 3.674 0.01 . 2 . . . . A 113 SER HB3 . 25887 1 151 . 1 . 1 14 14 SER C C 13 174.536 0.1 . 1 . . . . A 113 SER C . 25887 1 152 . 1 . 1 14 14 SER CA C 13 56.493 0.1 . 1 . . . . A 113 SER CA . 25887 1 153 . 1 . 1 14 14 SER CB C 13 65.16 0.1 . 1 . . . . A 113 SER CB . 25887 1 154 . 1 . 1 14 14 SER N N 15 116.083 0.1 . 1 . . . . A 113 SER N . 25887 1 155 . 1 . 1 15 15 HIS H H 1 11.587 0.01 . 1 . . . . A 114 HIS H . 25887 1 156 . 1 . 1 15 15 HIS HA H 1 4.568 0.01 . 1 . . . . A 114 HIS HA . 25887 1 157 . 1 . 1 15 15 HIS HB2 H 1 3.861 0.01 . 2 . . . . A 114 HIS HB2 . 25887 1 158 . 1 . 1 15 15 HIS HB3 H 1 3.241 0.01 . 2 . . . . A 114 HIS HB3 . 25887 1 159 . 1 . 1 15 15 HIS HD2 H 1 7.306 0.01 . 1 . . . . A 114 HIS HD2 . 25887 1 160 . 1 . 1 15 15 HIS C C 13 172.515 0.1 . 1 . . . . A 114 HIS C . 25887 1 161 . 1 . 1 15 15 HIS CA C 13 56.887 0.1 . 1 . . . . A 114 HIS CA . 25887 1 162 . 1 . 1 15 15 HIS CB C 13 27.276 0.1 . 1 . . . . A 114 HIS CB . 25887 1 163 . 1 . 1 15 15 HIS CD2 C 13 120.12 0.1 . 1 . . . . A 114 HIS CD2 . 25887 1 164 . 1 . 1 15 15 HIS CE1 C 13 131.356 0.1 . 1 . . . . A 114 HIS CE1 . 25887 1 165 . 1 . 1 15 15 HIS N N 15 126.668 0.1 . 1 . . . . A 114 HIS N . 25887 1 166 . 1 . 1 16 16 GLY H H 1 9.361 0.01 . 1 . . . . A 115 GLY H . 25887 1 167 . 1 . 1 16 16 GLY HA2 H 1 3.344 0.01 . 1 . . . . A 115 GLY HA2 . 25887 1 168 . 1 . 1 16 16 GLY HA3 H 1 3.344 0.01 . 1 . . . . A 115 GLY HA3 . 25887 1 169 . 1 . 1 16 16 GLY C C 13 173.018 0.1 . 1 . . . . A 115 GLY C . 25887 1 170 . 1 . 1 16 16 GLY CA C 13 46.457 0.1 . 1 . . . . A 115 GLY CA . 25887 1 171 . 1 . 1 16 16 GLY N N 15 119.128 0.1 . 1 . . . . A 115 GLY N . 25887 1 172 . 1 . 1 17 17 SER H H 1 8.151 0.01 . 1 . . . . A 116 SER H . 25887 1 173 . 1 . 1 17 17 SER HA H 1 4.451 0.01 . 1 . . . . A 116 SER HA . 25887 1 174 . 1 . 1 17 17 SER HB2 H 1 3.628 0.01 . 2 . . . . A 116 SER HB2 . 25887 1 175 . 1 . 1 17 17 SER HB3 H 1 3.559 0.01 . 2 . . . . A 116 SER HB3 . 25887 1 176 . 1 . 1 17 17 SER C C 13 171.848 0.1 . 1 . . . . A 116 SER C . 25887 1 177 . 1 . 1 17 17 SER CA C 13 57.256 0.1 . 1 . . . . A 116 SER CA . 25887 1 178 . 1 . 1 17 17 SER CB C 13 64.697 0.1 . 1 . . . . A 116 SER CB . 25887 1 179 . 1 . 1 17 17 SER N N 15 118.656 0.1 . 1 . . . . A 116 SER N . 25887 1 180 . 1 . 1 18 18 ARG H H 1 7.629 0.01 . 1 . . . . A 117 ARG H . 25887 1 181 . 1 . 1 18 18 ARG HA H 1 2.954 0.01 . 1 . . . . A 117 ARG HA . 25887 1 182 . 1 . 1 18 18 ARG HB2 H 1 1.150 0.01 . 2 . . . . A 117 ARG HB2 . 25887 1 183 . 1 . 1 18 18 ARG HB3 H 1 0.802 0.01 . 2 . . . . A 117 ARG HB3 . 25887 1 184 . 1 . 1 18 18 ARG HG2 H 1 1.133 0.01 . 2 . . . . A 117 ARG HG2 . 25887 1 185 . 1 . 1 18 18 ARG HG3 H 1 0.700 0.01 . 2 . . . . A 117 ARG HG3 . 25887 1 186 . 1 . 1 18 18 ARG HD2 H 1 2.977 0.01 . 2 . . . . A 117 ARG HD2 . 25887 1 187 . 1 . 1 18 18 ARG HD3 H 1 3.026 0.01 . 2 . . . . A 117 ARG HD3 . 25887 1 188 . 1 . 1 18 18 ARG HE H 1 7.041 0.01 . 1 . . . . A 117 ARG HE . 25887 1 189 . 1 . 1 18 18 ARG C C 13 176.671 0.1 . 1 . . . . A 117 ARG C . 25887 1 190 . 1 . 1 18 18 ARG CA C 13 56.755 0.1 . 1 . . . . A 117 ARG CA . 25887 1 191 . 1 . 1 18 18 ARG CB C 13 30.117 0.1 . 1 . . . . A 117 ARG CB . 25887 1 192 . 1 . 1 18 18 ARG CG C 13 26.211 0.1 . 1 . . . . A 117 ARG CG . 25887 1 193 . 1 . 1 18 18 ARG CD C 13 43.37 0.1 . 1 . . . . A 117 ARG CD . 25887 1 194 . 1 . 1 18 18 ARG N N 15 124.682 0.1 . 1 . . . . A 117 ARG N . 25887 1 195 . 1 . 1 18 18 ARG NE N 15 84.839 0.1 . 1 . . . . A 117 ARG NE . 25887 1 196 . 1 . 1 19 19 CYS H H 1 7.852 0.01 . 1 . . . . A 118 CYS H . 25887 1 197 . 1 . 1 19 19 CYS HA H 1 4.874 0.01 . 1 . . . . A 118 CYS HA . 25887 1 198 . 1 . 1 19 19 CYS HB2 H 1 3.184 0.01 . 2 . . . . A 118 CYS HB2 . 25887 1 199 . 1 . 1 19 19 CYS HB3 H 1 3.387 0.01 . 2 . . . . A 118 CYS HB3 . 25887 1 200 . 1 . 1 19 19 CYS C C 13 174.577 0.1 . 1 . . . . A 118 CYS C . 25887 1 201 . 1 . 1 19 19 CYS CA C 13 52.996 0.1 . 1 . . . . A 118 CYS CA . 25887 1 202 . 1 . 1 19 19 CYS CB C 13 39.297 0.1 . 1 . . . . A 118 CYS CB . 25887 1 203 . 1 . 1 19 19 CYS N N 15 122.932 0.1 . 1 . . . . A 118 CYS N . 25887 1 204 . 1 . 1 20 20 LEU H H 1 7.980 0.01 . 1 . . . . A 119 LEU H . 25887 1 205 . 1 . 1 20 20 LEU HA H 1 4.301 0.01 . 1 . . . . A 119 LEU HA . 25887 1 206 . 1 . 1 20 20 LEU HB2 H 1 1.762 0.01 . 2 . . . . A 119 LEU HB2 . 25887 1 207 . 1 . 1 20 20 LEU HB3 H 1 1.671 0.01 . 2 . . . . A 119 LEU HB3 . 25887 1 208 . 1 . 1 20 20 LEU HG H 1 1.762 0.01 . 1 . . . . A 119 LEU HG . 25887 1 209 . 1 . 1 20 20 LEU HD11 H 1 0.905 0.01 . 2 . . . . A 119 LEU HD11 . 25887 1 210 . 1 . 1 20 20 LEU HD12 H 1 0.905 0.01 . 2 . . . . A 119 LEU HD12 . 25887 1 211 . 1 . 1 20 20 LEU HD13 H 1 0.905 0.01 . 2 . . . . A 119 LEU HD13 . 25887 1 212 . 1 . 1 20 20 LEU HD21 H 1 0.957 0.01 . 2 . . . . A 119 LEU HD21 . 25887 1 213 . 1 . 1 20 20 LEU HD22 H 1 0.957 0.01 . 2 . . . . A 119 LEU HD22 . 25887 1 214 . 1 . 1 20 20 LEU HD23 H 1 0.957 0.01 . 2 . . . . A 119 LEU HD23 . 25887 1 215 . 1 . 1 20 20 LEU C C 13 178.394 0.1 . 1 . . . . A 119 LEU C . 25887 1 216 . 1 . 1 20 20 LEU CA C 13 55.216 0.1 . 1 . . . . A 119 LEU CA . 25887 1 217 . 1 . 1 20 20 LEU CB C 13 41.691 0.1 . 1 . . . . A 119 LEU CB . 25887 1 218 . 1 . 1 20 20 LEU CG C 13 26.728 0.1 . 1 . . . . A 119 LEU CG . 25887 1 219 . 1 . 1 20 20 LEU CD1 C 13 22.452 0.1 . 1 . . . . A 119 LEU CD1 . 25887 1 220 . 1 . 1 20 20 LEU CD2 C 13 24.769 0.1 . 1 . . . . A 119 LEU CD2 . 25887 1 221 . 1 . 1 20 20 LEU N N 15 120.027 0.1 . 1 . . . . A 119 LEU N . 25887 1 222 . 1 . 1 21 21 ARG H H 1 8.523 0.01 . 1 . . . . A 120 ARG H . 25887 1 223 . 1 . 1 21 21 ARG HA H 1 4.038 0.01 . 1 . . . . A 120 ARG HA . 25887 1 224 . 1 . 1 21 21 ARG HB2 H 1 1.894 0.01 . 2 . . . . A 120 ARG HB2 . 25887 1 225 . 1 . 1 21 21 ARG HB3 H 1 1.827 0.01 . 2 . . . . A 120 ARG HB3 . 25887 1 226 . 1 . 1 21 21 ARG HG2 H 1 1.662 0.01 . 1 . . . . A 120 ARG HG2 . 25887 1 227 . 1 . 1 21 21 ARG HG3 H 1 1.662 0.01 . 1 . . . . A 120 ARG HG3 . 25887 1 228 . 1 . 1 21 21 ARG HD2 H 1 3.222 0.01 . 1 . . . . A 120 ARG HD2 . 25887 1 229 . 1 . 1 21 21 ARG HD3 H 1 3.222 0.01 . 1 . . . . A 120 ARG HD3 . 25887 1 230 . 1 . 1 21 21 ARG HE H 1 7.252 0.01 . 1 . . . . A 120 ARG HE . 25887 1 231 . 1 . 1 21 21 ARG C C 13 175.624 0.1 . 1 . . . . A 120 ARG C . 25887 1 232 . 1 . 1 21 21 ARG CA C 13 58.416 0.1 . 1 . . . . A 120 ARG CA . 25887 1 233 . 1 . 1 21 21 ARG CB C 13 29.988 0.1 . 1 . . . . A 120 ARG CB . 25887 1 234 . 1 . 1 21 21 ARG CG C 13 26.291 0.1 . 1 . . . . A 120 ARG CG . 25887 1 235 . 1 . 1 21 21 ARG CD C 13 43.092 0.1 . 1 . . . . A 120 ARG CD . 25887 1 236 . 1 . 1 21 21 ARG N N 15 120.159 0.1 . 1 . . . . A 120 ARG N . 25887 1 237 . 1 . 1 21 21 ARG NE N 15 84.756 0.1 . 1 . . . . A 120 ARG NE . 25887 1 238 . 1 . 1 22 22 ASP H H 1 8.252 0.01 . 1 . . . . A 121 ASP H . 25887 1 239 . 1 . 1 22 22 ASP HA H 1 4.530 0.01 . 1 . . . . A 121 ASP HA . 25887 1 240 . 1 . 1 22 22 ASP HB2 H 1 2.743 0.01 . 2 . . . . A 121 ASP HB2 . 25887 1 241 . 1 . 1 22 22 ASP HB3 H 1 2.688 0.01 . 2 . . . . A 121 ASP HB3 . 25887 1 242 . 1 . 1 22 22 ASP C C 13 175.593 0.1 . 1 . . . . A 121 ASP C . 25887 1 243 . 1 . 1 22 22 ASP CA C 13 54.424 0.1 . 1 . . . . A 121 ASP CA . 25887 1 244 . 1 . 1 22 22 ASP CB C 13 40.034 0.1 . 1 . . . . A 121 ASP CB . 25887 1 245 . 1 . 1 22 22 ASP N N 15 115.199 0.1 . 1 . . . . A 121 ASP N . 25887 1 246 . 1 . 1 23 23 SER H H 1 7.612 0.01 . 1 . . . . A 122 SER H . 25887 1 247 . 1 . 1 23 23 SER HA H 1 4.124 0.01 . 1 . . . . A 122 SER HA . 25887 1 248 . 1 . 1 23 23 SER HB2 H 1 3.864 0.01 . 2 . . . . A 122 SER HB2 . 25887 1 249 . 1 . 1 23 23 SER HB3 H 1 3.750 0.01 . 2 . . . . A 122 SER HB3 . 25887 1 250 . 1 . 1 23 23 SER C C 13 173.264 0.1 . 1 . . . . A 122 SER C . 25887 1 251 . 1 . 1 23 23 SER CA C 13 60.703 0.1 . 1 . . . . A 122 SER CA . 25887 1 252 . 1 . 1 23 23 SER CB C 13 62.879 0.1 . 1 . . . . A 122 SER CB . 25887 1 253 . 1 . 1 23 23 SER N N 15 114.383 0.1 . 1 . . . . A 122 SER N . 25887 1 254 . 1 . 1 24 24 THR H H 1 8.413 0.01 . 1 . . . . A 123 THR H . 25887 1 255 . 1 . 1 24 24 THR HA H 1 4.519 0.01 . 1 . . . . A 123 THR HA . 25887 1 256 . 1 . 1 24 24 THR HB H 1 4.365 0.01 . 1 . . . . A 123 THR HB . 25887 1 257 . 1 . 1 24 24 THR HG21 H 1 1.333 0.01 . 1 . . . . A 123 THR HG21 . 25887 1 258 . 1 . 1 24 24 THR HG22 H 1 1.333 0.01 . 1 . . . . A 123 THR HG22 . 25887 1 259 . 1 . 1 24 24 THR HG23 H 1 1.333 0.01 . 1 . . . . A 123 THR HG23 . 25887 1 260 . 1 . 1 24 24 THR C C 13 173.356 0.1 . 1 . . . . A 123 THR C . 25887 1 261 . 1 . 1 24 24 THR CA C 13 61.888 0.1 . 1 . . . . A 123 THR CA . 25887 1 262 . 1 . 1 24 24 THR CB C 13 70.83 0.1 . 1 . . . . A 123 THR CB . 25887 1 263 . 1 . 1 24 24 THR CG2 C 13 20.644 0.1 . 1 . . . . A 123 THR CG2 . 25887 1 264 . 1 . 1 24 24 THR N N 15 111.852 0.1 . 1 . . . . A 123 THR N . 25887 1 265 . 1 . 1 25 25 HIS H H 1 8.630 0.01 . 1 . . . . A 124 HIS H . 25887 1 266 . 1 . 1 25 25 HIS HA H 1 5.156 0.01 . 1 . . . . A 124 HIS HA . 25887 1 267 . 1 . 1 25 25 HIS HB2 H 1 2.658 0.01 . 2 . . . . A 124 HIS HB2 . 25887 1 268 . 1 . 1 25 25 HIS HB3 H 1 2.998 0.01 . 2 . . . . A 124 HIS HB3 . 25887 1 269 . 1 . 1 25 25 HIS HD2 H 1 6.736 0.01 . 1 . . . . A 124 HIS HD2 . 25887 1 270 . 1 . 1 25 25 HIS C C 13 174.177 0.1 . 1 . . . . A 124 HIS C . 25887 1 271 . 1 . 1 25 25 HIS CA C 13 56 0.1 . 1 . . . . A 124 HIS CA . 25887 1 272 . 1 . 1 25 25 HIS CB C 13 34.744 0.1 . 1 . . . . A 124 HIS CB . 25887 1 273 . 1 . 1 25 25 HIS CD2 C 13 117.137 0.1 . 1 . . . . A 124 HIS CD2 . 25887 1 274 . 1 . 1 25 25 HIS N N 15 120.615 0.1 . 1 . . . . A 124 HIS N . 25887 1 275 . 1 . 1 26 26 CYS H H 1 9.102 0.01 . 1 . . . . A 125 CYS H . 25887 1 276 . 1 . 1 26 26 CYS HA H 1 5.716 0.01 . 1 . . . . A 125 CYS HA . 25887 1 277 . 1 . 1 26 26 CYS HB2 H 1 3.131 0.01 . 1 . . . . A 125 CYS HB2 . 25887 1 278 . 1 . 1 26 26 CYS HB3 H 1 3.131 0.01 . 1 . . . . A 125 CYS HB3 . 25887 1 279 . 1 . 1 26 26 CYS C C 13 174.906 0.1 . 1 . . . . A 125 CYS C . 25887 1 280 . 1 . 1 26 26 CYS CA C 13 52.172 0.1 . 1 . . . . A 125 CYS CA . 25887 1 281 . 1 . 1 26 26 CYS CB C 13 36.484 0.1 . 1 . . . . A 125 CYS CB . 25887 1 282 . 1 . 1 26 26 CYS N N 15 115.755 0.1 . 1 . . . . A 125 CYS N . 25887 1 283 . 1 . 1 27 27 VAL H H 1 9.077 0.01 . 1 . . . . A 126 VAL H . 25887 1 284 . 1 . 1 27 27 VAL HA H 1 5.199 0.01 . 1 . . . . A 126 VAL HA . 25887 1 285 . 1 . 1 27 27 VAL HB H 1 1.946 0.01 . 1 . . . . A 126 VAL HB . 25887 1 286 . 1 . 1 27 27 VAL HG11 H 1 0.891 0.01 . 2 . . . . A 126 VAL HG11 . 25887 1 287 . 1 . 1 27 27 VAL HG12 H 1 0.891 0.01 . 2 . . . . A 126 VAL HG12 . 25887 1 288 . 1 . 1 27 27 VAL HG13 H 1 0.891 0.01 . 2 . . . . A 126 VAL HG13 . 25887 1 289 . 1 . 1 27 27 VAL HG21 H 1 0.928 0.01 . 2 . . . . A 126 VAL HG21 . 25887 1 290 . 1 . 1 27 27 VAL HG22 H 1 0.928 0.01 . 2 . . . . A 126 VAL HG22 . 25887 1 291 . 1 . 1 27 27 VAL HG23 H 1 0.928 0.01 . 2 . . . . A 126 VAL HG23 . 25887 1 292 . 1 . 1 27 27 VAL C C 13 176.004 0.1 . 1 . . . . A 126 VAL C . 25887 1 293 . 1 . 1 27 27 VAL CA C 13 60.555 0.1 . 1 . . . . A 126 VAL CA . 25887 1 294 . 1 . 1 27 27 VAL CB C 13 35.605 0.1 . 1 . . . . A 126 VAL CB . 25887 1 295 . 1 . 1 27 27 VAL CG1 C 13 21.759 0.1 . 1 . . . . A 126 VAL CG1 . 25887 1 296 . 1 . 1 27 27 VAL CG2 C 13 22.751 0.1 . 1 . . . . A 126 VAL CG2 . 25887 1 297 . 1 . 1 27 27 VAL N N 15 121.353 0.1 . 1 . . . . A 126 VAL N . 25887 1 298 . 1 . 1 28 28 THR H H 1 9.031 0.01 . 1 . . . . A 127 THR H . 25887 1 299 . 1 . 1 28 28 THR HA H 1 5.192 0.01 . 1 . . . . A 127 THR HA . 25887 1 300 . 1 . 1 28 28 THR HB H 1 3.940 0.01 . 1 . . . . A 127 THR HB . 25887 1 301 . 1 . 1 28 28 THR HG21 H 1 1.151 0.01 . 1 . . . . A 127 THR HG21 . 25887 1 302 . 1 . 1 28 28 THR HG22 H 1 1.151 0.01 . 1 . . . . A 127 THR HG22 . 25887 1 303 . 1 . 1 28 28 THR HG23 H 1 1.151 0.01 . 1 . . . . A 127 THR HG23 . 25887 1 304 . 1 . 1 28 28 THR C C 13 173.51 0.1 . 1 . . . . A 127 THR C . 25887 1 305 . 1 . 1 28 28 THR CA C 13 61.909 0.1 . 1 . . . . A 127 THR CA . 25887 1 306 . 1 . 1 28 28 THR CB C 13 71.018 0.1 . 1 . . . . A 127 THR CB . 25887 1 307 . 1 . 1 28 28 THR CG2 C 13 22.47 0.1 . 1 . . . . A 127 THR CG2 . 25887 1 308 . 1 . 1 28 28 THR N N 15 125.497 0.1 . 1 . . . . A 127 THR N . 25887 1 309 . 1 . 1 29 29 THR H H 1 9.625 0.01 . 1 . . . . A 128 THR H . 25887 1 310 . 1 . 1 29 29 THR HA H 1 5.500 0.01 . 1 . . . . A 128 THR HA . 25887 1 311 . 1 . 1 29 29 THR HB H 1 4.007 0.01 . 1 . . . . A 128 THR HB . 25887 1 312 . 1 . 1 29 29 THR HG21 H 1 0.992 0.01 . 1 . . . . A 128 THR HG21 . 25887 1 313 . 1 . 1 29 29 THR HG22 H 1 0.992 0.01 . 1 . . . . A 128 THR HG22 . 25887 1 314 . 1 . 1 29 29 THR HG23 H 1 0.992 0.01 . 1 . . . . A 128 THR HG23 . 25887 1 315 . 1 . 1 29 29 THR C C 13 172.228 0.1 . 1 . . . . A 128 THR C . 25887 1 316 . 1 . 1 29 29 THR CA C 13 59.004 0.1 . 1 . . . . A 128 THR CA . 25887 1 317 . 1 . 1 29 29 THR CB C 13 70.306 0.1 . 1 . . . . A 128 THR CB . 25887 1 318 . 1 . 1 29 29 THR CG2 C 13 21.249 0.1 . 1 . . . . A 128 THR CG2 . 25887 1 319 . 1 . 1 29 29 THR N N 15 121.196 0.1 . 1 . . . . A 128 THR N . 25887 1 320 . 1 . 1 30 30 ALA H H 1 8.539 0.01 . 1 . . . . A 129 ALA H . 25887 1 321 . 1 . 1 30 30 ALA HA H 1 5.500 0.01 . 1 . . . . A 129 ALA HA . 25887 1 322 . 1 . 1 30 30 ALA HB1 H 1 1.307 0.01 . 1 . . . . A 129 ALA HB1 . 25887 1 323 . 1 . 1 30 30 ALA HB2 H 1 1.307 0.01 . 1 . . . . A 129 ALA HB2 . 25887 1 324 . 1 . 1 30 30 ALA HB3 H 1 1.307 0.01 . 1 . . . . A 129 ALA HB3 . 25887 1 325 . 1 . 1 30 30 ALA C C 13 176.424 0.1 . 1 . . . . A 129 ALA C . 25887 1 326 . 1 . 1 30 30 ALA CA C 13 50.495 0.1 . 1 . . . . A 129 ALA CA . 25887 1 327 . 1 . 1 30 30 ALA CB C 13 21.348 0.1 . 1 . . . . A 129 ALA CB . 25887 1 328 . 1 . 1 30 30 ALA N N 15 124.169 0.1 . 1 . . . . A 129 ALA N . 25887 1 329 . 1 . 1 31 31 THR H H 1 8.636 0.01 . 1 . . . . A 130 THR H . 25887 1 330 . 1 . 1 31 31 THR HA H 1 4.890 0.01 . 1 . . . . A 130 THR HA . 25887 1 331 . 1 . 1 31 31 THR HB H 1 4.226 0.01 . 1 . . . . A 130 THR HB . 25887 1 332 . 1 . 1 31 31 THR HG21 H 1 1.294 0.01 . 1 . . . . A 130 THR HG21 . 25887 1 333 . 1 . 1 31 31 THR HG22 H 1 1.294 0.01 . 1 . . . . A 130 THR HG22 . 25887 1 334 . 1 . 1 31 31 THR HG23 H 1 1.294 0.01 . 1 . . . . A 130 THR HG23 . 25887 1 335 . 1 . 1 31 31 THR C C 13 172.854 0.1 . 1 . . . . A 130 THR C . 25887 1 336 . 1 . 1 31 31 THR CA C 13 60.678 0.1 . 1 . . . . A 130 THR CA . 25887 1 337 . 1 . 1 31 31 THR CB C 13 70.352 0.1 . 1 . . . . A 130 THR CB . 25887 1 338 . 1 . 1 31 31 THR CG2 C 13 21.18 0.1 . 1 . . . . A 130 THR CG2 . 25887 1 339 . 1 . 1 31 31 THR N N 15 116.687 0.1 . 1 . . . . A 130 THR N . 25887 1 340 . 1 . 1 32 32 ARG H H 1 8.540 0.01 . 1 . . . . A 131 ARG H . 25887 1 341 . 1 . 1 32 32 ARG HA H 1 4.650 0.01 . 1 . . . . A 131 ARG HA . 25887 1 342 . 1 . 1 32 32 ARG HB2 H 1 1.915 0.01 . 2 . . . . A 131 ARG HB2 . 25887 1 343 . 1 . 1 32 32 ARG HB3 H 1 1.757 0.01 . 2 . . . . A 131 ARG HB3 . 25887 1 344 . 1 . 1 32 32 ARG HG2 H 1 1.568 0.01 . 2 . . . . A 131 ARG HG2 . 25887 1 345 . 1 . 1 32 32 ARG HG3 H 1 1.681 0.01 . 2 . . . . A 131 ARG HG3 . 25887 1 346 . 1 . 1 32 32 ARG HD2 H 1 3.164 0.01 . 1 . . . . A 131 ARG HD2 . 25887 1 347 . 1 . 1 32 32 ARG HD3 H 1 3.164 0.01 . 1 . . . . A 131 ARG HD3 . 25887 1 348 . 1 . 1 32 32 ARG HE H 1 7.290 0.01 . 1 . . . . A 131 ARG HE . 25887 1 349 . 1 . 1 32 32 ARG C C 13 175.603 0.1 . 1 . . . . A 131 ARG C . 25887 1 350 . 1 . 1 32 32 ARG CA C 13 55.458 0.1 . 1 . . . . A 131 ARG CA . 25887 1 351 . 1 . 1 32 32 ARG CB C 13 30.755 0.1 . 1 . . . . A 131 ARG CB . 25887 1 352 . 1 . 1 32 32 ARG CG C 13 27.151 0.1 . 1 . . . . A 131 ARG CG . 25887 1 353 . 1 . 1 32 32 ARG CD C 13 43.073 0.1 . 1 . . . . A 131 ARG CD . 25887 1 354 . 1 . 1 32 32 ARG N N 15 124.260 0.1 . 1 . . . . A 131 ARG N . 25887 1 355 . 1 . 1 32 32 ARG NE N 15 84.568 0.1 . 1 . . . . A 131 ARG NE . 25887 1 356 . 1 . 1 33 33 VAL H H 1 8.430 0.01 . 1 . . . . A 132 VAL H . 25887 1 357 . 1 . 1 33 33 VAL HA H 1 4.232 0.01 . 1 . . . . A 132 VAL HA . 25887 1 358 . 1 . 1 33 33 VAL HB H 1 2.198 0.01 . 1 . . . . A 132 VAL HB . 25887 1 359 . 1 . 1 33 33 VAL HG11 H 1 1.015 0.01 . 2 . . . . A 132 VAL HG11 . 25887 1 360 . 1 . 1 33 33 VAL HG12 H 1 1.015 0.01 . 2 . . . . A 132 VAL HG12 . 25887 1 361 . 1 . 1 33 33 VAL HG13 H 1 1.015 0.01 . 2 . . . . A 132 VAL HG13 . 25887 1 362 . 1 . 1 33 33 VAL HG21 H 1 0.995 0.01 . 2 . . . . A 132 VAL HG21 . 25887 1 363 . 1 . 1 33 33 VAL HG22 H 1 0.995 0.01 . 2 . . . . A 132 VAL HG22 . 25887 1 364 . 1 . 1 33 33 VAL HG23 H 1 0.995 0.01 . 2 . . . . A 132 VAL HG23 . 25887 1 365 . 1 . 1 33 33 VAL C C 13 175.727 0.1 . 1 . . . . A 132 VAL C . 25887 1 366 . 1 . 1 33 33 VAL CA C 13 61.835 0.1 . 1 . . . . A 132 VAL CA . 25887 1 367 . 1 . 1 33 33 VAL CB C 13 32.636 0.1 . 1 . . . . A 132 VAL CB . 25887 1 368 . 1 . 1 33 33 VAL CG1 C 13 20.324 0.1 . 1 . . . . A 132 VAL CG1 . 25887 1 369 . 1 . 1 33 33 VAL CG2 C 13 21.232 0.1 . 1 . . . . A 132 VAL CG2 . 25887 1 370 . 1 . 1 33 33 VAL N N 15 121.349 0.1 . 1 . . . . A 132 VAL N . 25887 1 371 . 1 . 1 34 34 LEU H H 1 8.246 0.01 . 1 . . . . A 133 LEU H . 25887 1 372 . 1 . 1 34 34 LEU HA H 1 4.452 0.01 . 1 . . . . A 133 LEU HA . 25887 1 373 . 1 . 1 34 34 LEU HB2 H 1 1.674 0.01 . 1 . . . . A 133 LEU HB2 . 25887 1 374 . 1 . 1 34 34 LEU HB3 H 1 1.674 0.01 . 1 . . . . A 133 LEU HB3 . 25887 1 375 . 1 . 1 34 34 LEU HG H 1 1.650 0.01 . 1 . . . . A 133 LEU HG . 25887 1 376 . 1 . 1 34 34 LEU HD11 H 1 0.858 0.01 . 2 . . . . A 133 LEU HD11 . 25887 1 377 . 1 . 1 34 34 LEU HD12 H 1 0.858 0.01 . 2 . . . . A 133 LEU HD12 . 25887 1 378 . 1 . 1 34 34 LEU HD13 H 1 0.858 0.01 . 2 . . . . A 133 LEU HD13 . 25887 1 379 . 1 . 1 34 34 LEU HD21 H 1 0.907 0.01 . 2 . . . . A 133 LEU HD21 . 25887 1 380 . 1 . 1 34 34 LEU HD22 H 1 0.907 0.01 . 2 . . . . A 133 LEU HD22 . 25887 1 381 . 1 . 1 34 34 LEU HD23 H 1 0.907 0.01 . 2 . . . . A 133 LEU HD23 . 25887 1 382 . 1 . 1 34 34 LEU C C 13 176.753 0.1 . 1 . . . . A 133 LEU C . 25887 1 383 . 1 . 1 34 34 LEU CA C 13 54.748 0.1 . 1 . . . . A 133 LEU CA . 25887 1 384 . 1 . 1 34 34 LEU CB C 13 41.873 0.1 . 1 . . . . A 133 LEU CB . 25887 1 385 . 1 . 1 34 34 LEU CG C 13 26.75 0.1 . 1 . . . . A 133 LEU CG . 25887 1 386 . 1 . 1 34 34 LEU CD1 C 13 23.07 0.1 . 1 . . . . A 133 LEU CD1 . 25887 1 387 . 1 . 1 34 34 LEU CD2 C 13 24.676 0.1 . 1 . . . . A 133 LEU CD2 . 25887 1 388 . 1 . 1 34 34 LEU N N 15 124.364 0.1 . 1 . . . . A 133 LEU N . 25887 1 389 . 1 . 1 35 35 SER H H 1 8.078 0.01 . 1 . . . . A 134 SER H . 25887 1 390 . 1 . 1 35 35 SER HA H 1 4.490 0.01 . 1 . . . . A 134 SER HA . 25887 1 391 . 1 . 1 35 35 SER HB2 H 1 3.947 0.01 . 2 . . . . A 134 SER HB2 . 25887 1 392 . 1 . 1 35 35 SER HB3 H 1 3.830 0.01 . 2 . . . . A 134 SER HB3 . 25887 1 393 . 1 . 1 35 35 SER C C 13 173.9 0.1 . 1 . . . . A 134 SER C . 25887 1 394 . 1 . 1 35 35 SER CA C 13 57.97 0.1 . 1 . . . . A 134 SER CA . 25887 1 395 . 1 . 1 35 35 SER CB C 13 63.375 0.1 . 1 . . . . A 134 SER CB . 25887 1 396 . 1 . 1 35 35 SER N N 15 114.791 0.1 . 1 . . . . A 134 SER N . 25887 1 397 . 1 . 1 36 36 ASN H H 1 8.287 0.01 . 1 . . . . A 135 ASN H . 25887 1 398 . 1 . 1 36 36 ASN HA H 1 4.777 0.01 . 1 . . . . A 135 ASN HA . 25887 1 399 . 1 . 1 36 36 ASN HB2 H 1 2.851 0.01 . 1 . . . . A 135 ASN HB2 . 25887 1 400 . 1 . 1 36 36 ASN HB3 H 1 2.851 0.01 . 1 . . . . A 135 ASN HB3 . 25887 1 401 . 1 . 1 36 36 ASN HD21 H 1 7.480 0.01 . 2 . . . . A 135 ASN HD21 . 25887 1 402 . 1 . 1 36 36 ASN HD22 H 1 6.875 0.01 . 2 . . . . A 135 ASN HD22 . 25887 1 403 . 1 . 1 36 36 ASN C C 13 175.337 0.1 . 1 . . . . A 135 ASN C . 25887 1 404 . 1 . 1 36 36 ASN CA C 13 53.07 0.1 . 1 . . . . A 135 ASN CA . 25887 1 405 . 1 . 1 36 36 ASN CB C 13 38.346 0.1 . 1 . . . . A 135 ASN CB . 25887 1 406 . 1 . 1 36 36 ASN N N 15 119.634 0.1 . 1 . . . . A 135 ASN N . 25887 1 407 . 1 . 1 36 36 ASN ND2 N 15 112.331 0.1 . 1 . . . . A 135 ASN ND2 . 25887 1 408 . 1 . 1 37 37 THR H H 1 8.085 0.01 . 1 . . . . A 136 THR H . 25887 1 409 . 1 . 1 37 37 THR HA H 1 4.311 0.01 . 1 . . . . A 136 THR HA . 25887 1 410 . 1 . 1 37 37 THR HB H 1 4.310 0.01 . 1 . . . . A 136 THR HB . 25887 1 411 . 1 . 1 37 37 THR HG21 H 1 1.204 0.01 . 1 . . . . A 136 THR HG21 . 25887 1 412 . 1 . 1 37 37 THR HG22 H 1 1.204 0.01 . 1 . . . . A 136 THR HG22 . 25887 1 413 . 1 . 1 37 37 THR HG23 H 1 1.204 0.01 . 1 . . . . A 136 THR HG23 . 25887 1 414 . 1 . 1 37 37 THR C C 13 174.28 0.1 . 1 . . . . A 136 THR C . 25887 1 415 . 1 . 1 37 37 THR CA C 13 62.131 0.1 . 1 . . . . A 136 THR CA . 25887 1 416 . 1 . 1 37 37 THR CB C 13 69.106 0.1 . 1 . . . . A 136 THR CB . 25887 1 417 . 1 . 1 37 37 THR CG2 C 13 21.384 0.1 . 1 . . . . A 136 THR CG2 . 25887 1 418 . 1 . 1 37 37 THR N N 15 112.097 0.1 . 1 . . . . A 136 THR N . 25887 1 419 . 1 . 1 38 38 GLU H H 1 8.035 0.01 . 1 . . . . A 137 GLU H . 25887 1 420 . 1 . 1 38 38 GLU HA H 1 4.364 0.01 . 1 . . . . A 137 GLU HA . 25887 1 421 . 1 . 1 38 38 GLU HB2 H 1 2.108 0.01 . 2 . . . . A 137 GLU HB2 . 25887 1 422 . 1 . 1 38 38 GLU HB3 H 1 1.887 0.01 . 2 . . . . A 137 GLU HB3 . 25887 1 423 . 1 . 1 38 38 GLU HG2 H 1 2.228 0.01 . 1 . . . . A 137 GLU HG2 . 25887 1 424 . 1 . 1 38 38 GLU HG3 H 1 2.228 0.01 . 1 . . . . A 137 GLU HG3 . 25887 1 425 . 1 . 1 38 38 GLU C C 13 175.296 0.1 . 1 . . . . A 137 GLU C . 25887 1 426 . 1 . 1 38 38 GLU CA C 13 55.754 0.1 . 1 . . . . A 137 GLU CA . 25887 1 427 . 1 . 1 38 38 GLU CB C 13 29.189 0.1 . 1 . . . . A 137 GLU CB . 25887 1 428 . 1 . 1 38 38 GLU CG C 13 34.527 0.1 . 1 . . . . A 137 GLU CG . 25887 1 429 . 1 . 1 38 38 GLU N N 15 120.207 0.1 . 1 . . . . A 137 GLU N . 25887 1 430 . 1 . 1 39 39 ASP H H 1 8.097 0.01 . 1 . . . . A 138 ASP H . 25887 1 431 . 1 . 1 39 39 ASP HA H 1 4.605 0.01 . 1 . . . . A 138 ASP HA . 25887 1 432 . 1 . 1 39 39 ASP HB2 H 1 2.830 0.01 . 2 . . . . A 138 ASP HB2 . 25887 1 433 . 1 . 1 39 39 ASP HB3 H 1 2.658 0.01 . 2 . . . . A 138 ASP HB3 . 25887 1 434 . 1 . 1 39 39 ASP C C 13 174.978 0.1 . 1 . . . . A 138 ASP C . 25887 1 435 . 1 . 1 39 39 ASP CA C 13 53.88 0.1 . 1 . . . . A 138 ASP CA . 25887 1 436 . 1 . 1 39 39 ASP CB C 13 40.235 0.1 . 1 . . . . A 138 ASP CB . 25887 1 437 . 1 . 1 39 39 ASP N N 15 119.742 0.1 . 1 . . . . A 138 ASP N . 25887 1 438 . 1 . 1 40 40 LEU H H 1 8.021 0.01 . 1 . . . . A 139 LEU H . 25887 1 439 . 1 . 1 40 40 LEU HA H 1 4.777 0.01 . 1 . . . . A 139 LEU HA . 25887 1 440 . 1 . 1 40 40 LEU HB2 H 1 1.342 0.01 . 2 . . . . A 139 LEU HB2 . 25887 1 441 . 1 . 1 40 40 LEU HB3 H 1 1.676 0.01 . 2 . . . . A 139 LEU HB3 . 25887 1 442 . 1 . 1 40 40 LEU HG H 1 1.727 0.01 . 1 . . . . A 139 LEU HG . 25887 1 443 . 1 . 1 40 40 LEU HD11 H 1 0.915 0.01 . 2 . . . . A 139 LEU HD11 . 25887 1 444 . 1 . 1 40 40 LEU HD12 H 1 0.915 0.01 . 2 . . . . A 139 LEU HD12 . 25887 1 445 . 1 . 1 40 40 LEU HD13 H 1 0.915 0.01 . 2 . . . . A 139 LEU HD13 . 25887 1 446 . 1 . 1 40 40 LEU HD21 H 1 0.963 0.01 . 2 . . . . A 139 LEU HD21 . 25887 1 447 . 1 . 1 40 40 LEU HD22 H 1 0.963 0.01 . 2 . . . . A 139 LEU HD22 . 25887 1 448 . 1 . 1 40 40 LEU HD23 H 1 0.963 0.01 . 2 . . . . A 139 LEU HD23 . 25887 1 449 . 1 . 1 40 40 LEU CA C 13 52.011 0.1 . 1 . . . . A 139 LEU CA . 25887 1 450 . 1 . 1 40 40 LEU CB C 13 42.693 0.1 . 1 . . . . A 139 LEU CB . 25887 1 451 . 1 . 1 40 40 LEU CG C 13 26.588 0.1 . 1 . . . . A 139 LEU CG . 25887 1 452 . 1 . 1 40 40 LEU CD1 C 13 25.238 0.1 . 1 . . . . A 139 LEU CD1 . 25887 1 453 . 1 . 1 40 40 LEU CD2 C 13 22.827 0.1 . 1 . . . . A 139 LEU CD2 . 25887 1 454 . 1 . 1 40 40 LEU N N 15 121.008 0.1 . 1 . . . . A 139 LEU N . 25887 1 455 . 1 . 1 41 41 PRO HA H 1 4.634 0.01 . 1 . . . . A 140 PRO HA . 25887 1 456 . 1 . 1 41 41 PRO HB2 H 1 2.170 0.01 . 2 . . . . A 140 PRO HB2 . 25887 1 457 . 1 . 1 41 41 PRO HB3 H 1 1.717 0.01 . 2 . . . . A 140 PRO HB3 . 25887 1 458 . 1 . 1 41 41 PRO HG2 H 1 2.052 0.01 . 2 . . . . A 140 PRO HG2 . 25887 1 459 . 1 . 1 41 41 PRO HG3 H 1 1.998 0.01 . 2 . . . . A 140 PRO HG3 . 25887 1 460 . 1 . 1 41 41 PRO HD2 H 1 3.698 0.01 . 2 . . . . A 140 PRO HD2 . 25887 1 461 . 1 . 1 41 41 PRO HD3 H 1 3.878 0.01 . 2 . . . . A 140 PRO HD3 . 25887 1 462 . 1 . 1 41 41 PRO C C 13 175.419 0.1 . 1 . . . . A 140 PRO C . 25887 1 463 . 1 . 1 41 41 PRO CA C 13 62.063 0.1 . 1 . . . . A 140 PRO CA . 25887 1 464 . 1 . 1 41 41 PRO CB C 13 31.89 0.1 . 1 . . . . A 140 PRO CB . 25887 1 465 . 1 . 1 41 41 PRO CG C 13 26.61 0.1 . 1 . . . . A 140 PRO CG . 25887 1 466 . 1 . 1 41 41 PRO CD C 13 50.211 0.1 . 1 . . . . A 140 PRO CD . 25887 1 467 . 1 . 1 42 42 LEU H H 1 8.569 0.01 . 1 . . . . A 141 LEU H . 25887 1 468 . 1 . 1 42 42 LEU HA H 1 4.176 0.01 . 1 . . . . A 141 LEU HA . 25887 1 469 . 1 . 1 42 42 LEU HB2 H 1 1.302 0.01 . 2 . . . . A 141 LEU HB2 . 25887 1 470 . 1 . 1 42 42 LEU HB3 H 1 1.834 0.01 . 2 . . . . A 141 LEU HB3 . 25887 1 471 . 1 . 1 42 42 LEU HG H 1 1.165 0.01 . 1 . . . . A 141 LEU HG . 25887 1 472 . 1 . 1 42 42 LEU HD11 H 1 0.669 0.01 . 2 . . . . A 141 LEU HD11 . 25887 1 473 . 1 . 1 42 42 LEU HD12 H 1 0.669 0.01 . 2 . . . . A 141 LEU HD12 . 25887 1 474 . 1 . 1 42 42 LEU HD13 H 1 0.669 0.01 . 2 . . . . A 141 LEU HD13 . 25887 1 475 . 1 . 1 42 42 LEU HD21 H 1 0.264 0.01 . 2 . . . . A 141 LEU HD21 . 25887 1 476 . 1 . 1 42 42 LEU HD22 H 1 0.264 0.01 . 2 . . . . A 141 LEU HD22 . 25887 1 477 . 1 . 1 42 42 LEU HD23 H 1 0.264 0.01 . 2 . . . . A 141 LEU HD23 . 25887 1 478 . 1 . 1 42 42 LEU C C 13 175.87 0.1 . 1 . . . . A 141 LEU C . 25887 1 479 . 1 . 1 42 42 LEU CA C 13 55.19 0.1 . 1 . . . . A 141 LEU CA . 25887 1 480 . 1 . 1 42 42 LEU CB C 13 41.678 0.1 . 1 . . . . A 141 LEU CB . 25887 1 481 . 1 . 1 42 42 LEU CG C 13 26.829 0.1 . 1 . . . . A 141 LEU CG . 25887 1 482 . 1 . 1 42 42 LEU CD1 C 13 24.871 0.1 . 1 . . . . A 141 LEU CD1 . 25887 1 483 . 1 . 1 42 42 LEU CD2 C 13 22.178 0.1 . 1 . . . . A 141 LEU CD2 . 25887 1 484 . 1 . 1 42 42 LEU N N 15 123.715 0.1 . 1 . . . . A 141 LEU N . 25887 1 485 . 1 . 1 43 43 VAL H H 1 9.005 0.01 . 1 . . . . A 142 VAL H . 25887 1 486 . 1 . 1 43 43 VAL HA H 1 5.150 0.01 . 1 . . . . A 142 VAL HA . 25887 1 487 . 1 . 1 43 43 VAL HB H 1 1.813 0.01 . 1 . . . . A 142 VAL HB . 25887 1 488 . 1 . 1 43 43 VAL HG11 H 1 0.889 0.01 . 2 . . . . A 142 VAL HG11 . 25887 1 489 . 1 . 1 43 43 VAL HG12 H 1 0.889 0.01 . 2 . . . . A 142 VAL HG12 . 25887 1 490 . 1 . 1 43 43 VAL HG13 H 1 0.889 0.01 . 2 . . . . A 142 VAL HG13 . 25887 1 491 . 1 . 1 43 43 VAL HG21 H 1 0.812 0.01 . 2 . . . . A 142 VAL HG21 . 25887 1 492 . 1 . 1 43 43 VAL HG22 H 1 0.812 0.01 . 2 . . . . A 142 VAL HG22 . 25887 1 493 . 1 . 1 43 43 VAL HG23 H 1 0.812 0.01 . 2 . . . . A 142 VAL HG23 . 25887 1 494 . 1 . 1 43 43 VAL C C 13 174.198 0.1 . 1 . . . . A 142 VAL C . 25887 1 495 . 1 . 1 43 43 VAL CA C 13 60.583 0.1 . 1 . . . . A 142 VAL CA . 25887 1 496 . 1 . 1 43 43 VAL CB C 13 33.23 0.1 . 1 . . . . A 142 VAL CB . 25887 1 497 . 1 . 1 43 43 VAL CG1 C 13 21.588 0.1 . 1 . . . . A 142 VAL CG1 . 25887 1 498 . 1 . 1 43 43 VAL CG2 C 13 20.641 0.1 . 1 . . . . A 142 VAL CG2 . 25887 1 499 . 1 . 1 43 43 VAL N N 15 131.573 0.1 . 1 . . . . A 142 VAL N . 25887 1 500 . 1 . 1 44 44 THR H H 1 8.744 0.01 . 1 . . . . A 143 THR H . 25887 1 501 . 1 . 1 44 44 THR HA H 1 4.967 0.01 . 1 . . . . A 143 THR HA . 25887 1 502 . 1 . 1 44 44 THR HB H 1 3.993 0.01 . 1 . . . . A 143 THR HB . 25887 1 503 . 1 . 1 44 44 THR HG21 H 1 1.158 0.01 . 1 . . . . A 143 THR HG21 . 25887 1 504 . 1 . 1 44 44 THR HG22 H 1 1.158 0.01 . 1 . . . . A 143 THR HG22 . 25887 1 505 . 1 . 1 44 44 THR HG23 H 1 1.158 0.01 . 1 . . . . A 143 THR HG23 . 25887 1 506 . 1 . 1 44 44 THR C C 13 172.546 0.1 . 1 . . . . A 143 THR C . 25887 1 507 . 1 . 1 44 44 THR CA C 13 61.343 0.1 . 1 . . . . A 143 THR CA . 25887 1 508 . 1 . 1 44 44 THR CB C 13 69.917 0.1 . 1 . . . . A 143 THR CB . 25887 1 509 . 1 . 1 44 44 THR CG2 C 13 21.046 0.1 . 1 . . . . A 143 THR CG2 . 25887 1 510 . 1 . 1 44 44 THR N N 15 121.430 0.1 . 1 . . . . A 143 THR N . 25887 1 511 . 1 . 1 45 45 LYS H H 1 9.397 0.01 . 1 . . . . A 144 LYS H . 25887 1 512 . 1 . 1 45 45 LYS HA H 1 5.589 0.01 . 1 . . . . A 144 LYS HA . 25887 1 513 . 1 . 1 45 45 LYS HB2 H 1 1.834 0.01 . 2 . . . . A 144 LYS HB2 . 25887 1 514 . 1 . 1 45 45 LYS HB3 H 1 1.897 0.01 . 2 . . . . A 144 LYS HB3 . 25887 1 515 . 1 . 1 45 45 LYS HG2 H 1 1.299 0.01 . 2 . . . . A 144 LYS HG2 . 25887 1 516 . 1 . 1 45 45 LYS HG3 H 1 1.660 0.01 . 2 . . . . A 144 LYS HG3 . 25887 1 517 . 1 . 1 45 45 LYS HD2 H 1 1.492 0.01 . 2 . . . . A 144 LYS HD2 . 25887 1 518 . 1 . 1 45 45 LYS HD3 H 1 1.902 0.01 . 2 . . . . A 144 LYS HD3 . 25887 1 519 . 1 . 1 45 45 LYS HE2 H 1 2.879 0.01 . 1 . . . . A 144 LYS HE2 . 25887 1 520 . 1 . 1 45 45 LYS HE3 H 1 2.879 0.01 . 1 . . . . A 144 LYS HE3 . 25887 1 521 . 1 . 1 45 45 LYS C C 13 175.839 0.1 . 1 . . . . A 144 LYS C . 25887 1 522 . 1 . 1 45 45 LYS CA C 13 54.667 0.1 . 1 . . . . A 144 LYS CA . 25887 1 523 . 1 . 1 45 45 LYS CB C 13 35.577 0.1 . 1 . . . . A 144 LYS CB . 25887 1 524 . 1 . 1 45 45 LYS CG C 13 25.966 0.1 . 1 . . . . A 144 LYS CG . 25887 1 525 . 1 . 1 45 45 LYS CD C 13 30.658 0.1 . 1 . . . . A 144 LYS CD . 25887 1 526 . 1 . 1 45 45 LYS N N 15 126.310 0.1 . 1 . . . . A 144 LYS N . 25887 1 527 . 1 . 1 46 46 MET H H 1 8.729 0.01 . 1 . . . . A 145 MET H . 25887 1 528 . 1 . 1 46 46 MET HA H 1 5.058 0.01 . 1 . . . . A 145 MET HA . 25887 1 529 . 1 . 1 46 46 MET HB2 H 1 2.333 0.01 . 1 . . . . A 145 MET HB2 . 25887 1 530 . 1 . 1 46 46 MET HB3 H 1 2.333 0.01 . 1 . . . . A 145 MET HB3 . 25887 1 531 . 1 . 1 46 46 MET HG2 H 1 2.406 0.01 . 1 . . . . A 145 MET HG2 . 25887 1 532 . 1 . 1 46 46 MET HG3 H 1 2.406 0.01 . 1 . . . . A 145 MET HG3 . 25887 1 533 . 1 . 1 46 46 MET HE1 H 1 1.938 0.01 . 1 . . . . A 145 MET HE1 . 25887 1 534 . 1 . 1 46 46 MET HE2 H 1 1.938 0.01 . 1 . . . . A 145 MET HE2 . 25887 1 535 . 1 . 1 46 46 MET HE3 H 1 1.938 0.01 . 1 . . . . A 145 MET HE3 . 25887 1 536 . 1 . 1 46 46 MET C C 13 174.454 0.1 . 1 . . . . A 145 MET C . 25887 1 537 . 1 . 1 46 46 MET CA C 13 54.843 0.1 . 1 . . . . A 145 MET CA . 25887 1 538 . 1 . 1 46 46 MET CB C 13 35.827 0.1 . 1 . . . . A 145 MET CB . 25887 1 539 . 1 . 1 46 46 MET CG C 13 31.166 0.1 . 1 . . . . A 145 MET CG . 25887 1 540 . 1 . 1 46 46 MET CE C 13 17.613 0.1 . 1 . . . . A 145 MET CE . 25887 1 541 . 1 . 1 46 46 MET N N 15 117.942 0.1 . 1 . . . . A 145 MET N . 25887 1 542 . 1 . 1 47 47 CYS H H 1 8.642 0.01 . 1 . . . . A 146 CYS H . 25887 1 543 . 1 . 1 47 47 CYS HA H 1 5.508 0.01 . 1 . . . . A 146 CYS HA . 25887 1 544 . 1 . 1 47 47 CYS HB2 H 1 3.460 0.01 . 2 . . . . A 146 CYS HB2 . 25887 1 545 . 1 . 1 47 47 CYS HB3 H 1 3.053 0.01 . 2 . . . . A 146 CYS HB3 . 25887 1 546 . 1 . 1 47 47 CYS C C 13 175.029 0.1 . 1 . . . . A 146 CYS C . 25887 1 547 . 1 . 1 47 47 CYS CA C 13 56.669 0.1 . 1 . . . . A 146 CYS CA . 25887 1 548 . 1 . 1 47 47 CYS CB C 13 46.298 0.1 . 1 . . . . A 146 CYS CB . 25887 1 549 . 1 . 1 47 47 CYS N N 15 119.031 0.1 . 1 . . . . A 146 CYS N . 25887 1 550 . 1 . 1 48 48 HIS H H 1 9.423 0.01 . 1 . . . . A 147 HIS H . 25887 1 551 . 1 . 1 48 48 HIS HA H 1 4.643 0.01 . 1 . . . . A 147 HIS HA . 25887 1 552 . 1 . 1 48 48 HIS HB2 H 1 2.818 0.01 . 2 . . . . A 147 HIS HB2 . 25887 1 553 . 1 . 1 48 48 HIS HB3 H 1 3.471 0.01 . 2 . . . . A 147 HIS HB3 . 25887 1 554 . 1 . 1 48 48 HIS HD2 H 1 7.370 0.01 . 1 . . . . A 147 HIS HD2 . 25887 1 555 . 1 . 1 48 48 HIS C C 13 173.223 0.1 . 1 . . . . A 147 HIS C . 25887 1 556 . 1 . 1 48 48 HIS CA C 13 57.601 0.1 . 1 . . . . A 147 HIS CA . 25887 1 557 . 1 . 1 48 48 HIS CB C 13 33.82 0.1 . 1 . . . . A 147 HIS CB . 25887 1 558 . 1 . 1 48 48 HIS CD2 C 13 121.751 0.1 . 1 . . . . A 147 HIS CD2 . 25887 1 559 . 1 . 1 48 48 HIS N N 15 120.858 0.1 . 1 . . . . A 147 HIS N . 25887 1 560 . 1 . 1 49 49 ILE H H 1 8.374 0.01 . 1 . . . . A 148 ILE H . 25887 1 561 . 1 . 1 49 49 ILE HA H 1 4.370 0.01 . 1 . . . . A 148 ILE HA . 25887 1 562 . 1 . 1 49 49 ILE HB H 1 1.718 0.01 . 1 . . . . A 148 ILE HB . 25887 1 563 . 1 . 1 49 49 ILE HG12 H 1 1.515 0.01 . 2 . . . . A 148 ILE HG12 . 25887 1 564 . 1 . 1 49 49 ILE HG13 H 1 0.955 0.01 . 2 . . . . A 148 ILE HG13 . 25887 1 565 . 1 . 1 49 49 ILE HG21 H 1 0.912 0.01 . 1 . . . . A 148 ILE HG21 . 25887 1 566 . 1 . 1 49 49 ILE HG22 H 1 0.912 0.01 . 1 . . . . A 148 ILE HG22 . 25887 1 567 . 1 . 1 49 49 ILE HG23 H 1 0.912 0.01 . 1 . . . . A 148 ILE HG23 . 25887 1 568 . 1 . 1 49 49 ILE HD11 H 1 0.846 0.01 . 1 . . . . A 148 ILE HD11 . 25887 1 569 . 1 . 1 49 49 ILE HD12 H 1 0.846 0.01 . 1 . . . . A 148 ILE HD12 . 25887 1 570 . 1 . 1 49 49 ILE HD13 H 1 0.846 0.01 . 1 . . . . A 148 ILE HD13 . 25887 1 571 . 1 . 1 49 49 ILE CA C 13 62.538 0.1 . 1 . . . . A 148 ILE CA . 25887 1 572 . 1 . 1 49 49 ILE CB C 13 36.096 0.1 . 1 . . . . A 148 ILE CB . 25887 1 573 . 1 . 1 49 49 ILE CG1 C 13 26.918 0.1 . 1 . . . . A 148 ILE CG1 . 25887 1 574 . 1 . 1 49 49 ILE CG2 C 13 17.029 0.1 . 1 . . . . A 148 ILE CG2 . 25887 1 575 . 1 . 1 49 49 ILE CD1 C 13 13.547 0.1 . 1 . . . . A 148 ILE CD1 . 25887 1 576 . 1 . 1 49 49 ILE N N 15 125.370 0.1 . 1 . . . . A 148 ILE N . 25887 1 577 . 1 . 1 50 50 GLY H H 1 8.367 0.01 . 1 . . . . A 149 GLY H . 25887 1 578 . 1 . 1 50 50 GLY HA2 H 1 4.128 0.01 . 2 . . . . A 149 GLY HA2 . 25887 1 579 . 1 . 1 50 50 GLY HA3 H 1 3.384 0.01 . 2 . . . . A 149 GLY HA3 . 25887 1 580 . 1 . 1 50 50 GLY C C 13 170.853 0.1 . 1 . . . . A 149 GLY C . 25887 1 581 . 1 . 1 50 50 GLY CA C 13 43.541 0.1 . 1 . . . . A 149 GLY CA . 25887 1 582 . 1 . 1 50 50 GLY N N 15 118.093 0.1 . 1 . . . . A 149 GLY N . 25887 1 583 . 1 . 1 51 51 CYS H H 1 8.187 0.01 . 1 . . . . A 150 CYS H . 25887 1 584 . 1 . 1 51 51 CYS HA H 1 4.818 0.01 . 1 . . . . A 150 CYS HA . 25887 1 585 . 1 . 1 51 51 CYS HB2 H 1 2.248 0.01 . 2 . . . . A 150 CYS HB2 . 25887 1 586 . 1 . 1 51 51 CYS HB3 H 1 2.816 0.01 . 2 . . . . A 150 CYS HB3 . 25887 1 587 . 1 . 1 51 51 CYS CA C 13 50.265 0.1 . 1 . . . . A 150 CYS CA . 25887 1 588 . 1 . 1 51 51 CYS CB C 13 38.752 0.1 . 1 . . . . A 150 CYS CB . 25887 1 589 . 1 . 1 51 51 CYS N N 15 118.529 0.1 . 1 . . . . A 150 CYS N . 25887 1 590 . 1 . 1 52 52 PRO HA H 1 4.344 0.01 . 1 . . . . A 151 PRO HA . 25887 1 591 . 1 . 1 52 52 PRO HB2 H 1 1.633 0.01 . 2 . . . . A 151 PRO HB2 . 25887 1 592 . 1 . 1 52 52 PRO HB3 H 1 1.742 0.01 . 2 . . . . A 151 PRO HB3 . 25887 1 593 . 1 . 1 52 52 PRO HG2 H 1 0.997 0.01 . 2 . . . . A 151 PRO HG2 . 25887 1 594 . 1 . 1 52 52 PRO HG3 H 1 1.654 0.01 . 2 . . . . A 151 PRO HG3 . 25887 1 595 . 1 . 1 52 52 PRO HD2 H 1 3.244 0.01 . 2 . . . . A 151 PRO HD2 . 25887 1 596 . 1 . 1 52 52 PRO HD3 H 1 3.431 0.01 . 2 . . . . A 151 PRO HD3 . 25887 1 597 . 1 . 1 52 52 PRO CA C 13 62.428 0.1 . 1 . . . . A 151 PRO CA . 25887 1 598 . 1 . 1 52 52 PRO CB C 13 31.672 0.1 . 1 . . . . A 151 PRO CB . 25887 1 599 . 1 . 1 52 52 PRO CG C 13 25.999 0.1 . 1 . . . . A 151 PRO CG . 25887 1 600 . 1 . 1 52 52 PRO CD C 13 49.992 0.1 . 1 . . . . A 151 PRO CD . 25887 1 601 . 1 . 1 53 53 ASP H H 1 7.668 0.01 . 1 . . . . A 152 ASP H . 25887 1 602 . 1 . 1 53 53 ASP HA H 1 4.640 0.01 . 1 . . . . A 152 ASP HA . 25887 1 603 . 1 . 1 53 53 ASP HB2 H 1 2.696 0.01 . 2 . . . . A 152 ASP HB2 . 25887 1 604 . 1 . 1 53 53 ASP HB3 H 1 2.856 0.01 . 2 . . . . A 152 ASP HB3 . 25887 1 605 . 1 . 1 53 53 ASP C C 13 175.624 0.1 . 1 . . . . A 152 ASP C . 25887 1 606 . 1 . 1 53 53 ASP CA C 13 51.41 0.1 . 1 . . . . A 152 ASP CA . 25887 1 607 . 1 . 1 53 53 ASP CB C 13 41.691 0.1 . 1 . . . . A 152 ASP CB . 25887 1 608 . 1 . 1 53 53 ASP N N 15 117.148 0.1 . 1 . . . . A 152 ASP N . 25887 1 609 . 1 . 1 54 54 ILE H H 1 8.327 0.01 . 1 . . . . A 153 ILE H . 25887 1 610 . 1 . 1 54 54 ILE HA H 1 3.913 0.01 . 1 . . . . A 153 ILE HA . 25887 1 611 . 1 . 1 54 54 ILE HB H 1 1.997 0.01 . 1 . . . . A 153 ILE HB . 25887 1 612 . 1 . 1 54 54 ILE HG12 H 1 1.112 0.01 . 2 . . . . A 153 ILE HG12 . 25887 1 613 . 1 . 1 54 54 ILE HG13 H 1 1.674 0.01 . 2 . . . . A 153 ILE HG13 . 25887 1 614 . 1 . 1 54 54 ILE HG21 H 1 0.855 0.01 . 1 . . . . A 153 ILE HG21 . 25887 1 615 . 1 . 1 54 54 ILE HG22 H 1 0.855 0.01 . 1 . . . . A 153 ILE HG22 . 25887 1 616 . 1 . 1 54 54 ILE HG23 H 1 0.855 0.01 . 1 . . . . A 153 ILE HG23 . 25887 1 617 . 1 . 1 54 54 ILE HD11 H 1 0.959 0.01 . 1 . . . . A 153 ILE HD11 . 25887 1 618 . 1 . 1 54 54 ILE HD12 H 1 0.959 0.01 . 1 . . . . A 153 ILE HD12 . 25887 1 619 . 1 . 1 54 54 ILE HD13 H 1 0.959 0.01 . 1 . . . . A 153 ILE HD13 . 25887 1 620 . 1 . 1 54 54 ILE CA C 13 64.996 0.1 . 1 . . . . A 153 ILE CA . 25887 1 621 . 1 . 1 54 54 ILE CB C 13 35.994 0.1 . 1 . . . . A 153 ILE CB . 25887 1 622 . 1 . 1 54 54 ILE CG1 C 13 29.142 0.1 . 1 . . . . A 153 ILE CG1 . 25887 1 623 . 1 . 1 54 54 ILE CG2 C 13 17.257 0.1 . 1 . . . . A 153 ILE CG2 . 25887 1 624 . 1 . 1 54 54 ILE CD1 C 13 12.686 0.1 . 1 . . . . A 153 ILE CD1 . 25887 1 625 . 1 . 1 54 54 ILE N N 15 119.719 0.1 . 1 . . . . A 153 ILE N . 25887 1 626 . 1 . 1 55 55 PRO HA H 1 4.364 0.01 . 1 . . . . A 154 PRO HA . 25887 1 627 . 1 . 1 55 55 PRO HB2 H 1 2.333 0.01 . 2 . . . . A 154 PRO HB2 . 25887 1 628 . 1 . 1 55 55 PRO HB3 H 1 1.895 0.01 . 2 . . . . A 154 PRO HB3 . 25887 1 629 . 1 . 1 55 55 PRO HG2 H 1 2.111 0.01 . 2 . . . . A 154 PRO HG2 . 25887 1 630 . 1 . 1 55 55 PRO HG3 H 1 1.940 0.01 . 2 . . . . A 154 PRO HG3 . 25887 1 631 . 1 . 1 55 55 PRO HD2 H 1 3.735 0.01 . 1 . . . . A 154 PRO HD2 . 25887 1 632 . 1 . 1 55 55 PRO HD3 H 1 3.735 0.01 . 1 . . . . A 154 PRO HD3 . 25887 1 633 . 1 . 1 55 55 PRO C C 13 178.333 0.1 . 1 . . . . A 154 PRO C . 25887 1 634 . 1 . 1 55 55 PRO CA C 13 65.003 0.1 . 1 . . . . A 154 PRO CA . 25887 1 635 . 1 . 1 55 55 PRO CB C 13 30.777 0.1 . 1 . . . . A 154 PRO CB . 25887 1 636 . 1 . 1 55 55 PRO CG C 13 27.579 0.1 . 1 . . . . A 154 PRO CG . 25887 1 637 . 1 . 1 55 55 PRO CD C 13 49.685 0.1 . 1 . . . . A 154 PRO CD . 25887 1 638 . 1 . 1 56 56 SER H H 1 7.883 0.01 . 1 . . . . A 155 SER H . 25887 1 639 . 1 . 1 56 56 SER HA H 1 4.303 0.01 . 1 . . . . A 155 SER HA . 25887 1 640 . 1 . 1 56 56 SER HB2 H 1 3.999 0.01 . 1 . . . . A 155 SER HB2 . 25887 1 641 . 1 . 1 56 56 SER HB3 H 1 3.999 0.01 . 1 . . . . A 155 SER HB3 . 25887 1 642 . 1 . 1 56 56 SER C C 13 175.45 0.1 . 1 . . . . A 155 SER C . 25887 1 643 . 1 . 1 56 56 SER CA C 13 60.312 0.1 . 1 . . . . A 155 SER CA . 25887 1 644 . 1 . 1 56 56 SER CB C 13 62.816 0.1 . 1 . . . . A 155 SER CB . 25887 1 645 . 1 . 1 56 56 SER N N 15 112.667 0.1 . 1 . . . . A 155 SER N . 25887 1 646 . 1 . 1 57 57 LEU H H 1 7.770 0.01 . 1 . . . . A 156 LEU H . 25887 1 647 . 1 . 1 57 57 LEU HA H 1 4.305 0.01 . 1 . . . . A 156 LEU HA . 25887 1 648 . 1 . 1 57 57 LEU HB2 H 1 1.813 0.01 . 2 . . . . A 156 LEU HB2 . 25887 1 649 . 1 . 1 57 57 LEU HB3 H 1 1.597 0.01 . 2 . . . . A 156 LEU HB3 . 25887 1 650 . 1 . 1 57 57 LEU HG H 1 1.716 0.01 . 1 . . . . A 156 LEU HG . 25887 1 651 . 1 . 1 57 57 LEU HD11 H 1 0.779 0.01 . 2 . . . . A 156 LEU HD11 . 25887 1 652 . 1 . 1 57 57 LEU HD12 H 1 0.779 0.01 . 2 . . . . A 156 LEU HD12 . 25887 1 653 . 1 . 1 57 57 LEU HD13 H 1 0.779 0.01 . 2 . . . . A 156 LEU HD13 . 25887 1 654 . 1 . 1 57 57 LEU HD21 H 1 0.770 0.01 . 2 . . . . A 156 LEU HD21 . 25887 1 655 . 1 . 1 57 57 LEU HD22 H 1 0.770 0.01 . 2 . . . . A 156 LEU HD22 . 25887 1 656 . 1 . 1 57 57 LEU HD23 H 1 0.770 0.01 . 2 . . . . A 156 LEU HD23 . 25887 1 657 . 1 . 1 57 57 LEU C C 13 177.974 0.1 . 1 . . . . A 156 LEU C . 25887 1 658 . 1 . 1 57 57 LEU CA C 13 55.516 0.1 . 1 . . . . A 156 LEU CA . 25887 1 659 . 1 . 1 57 57 LEU CB C 13 42.08 0.1 . 1 . . . . A 156 LEU CB . 25887 1 660 . 1 . 1 57 57 LEU CG C 13 26.217 0.1 . 1 . . . . A 156 LEU CG . 25887 1 661 . 1 . 1 57 57 LEU CD1 C 13 25.626 0.1 . 1 . . . . A 156 LEU CD1 . 25887 1 662 . 1 . 1 57 57 LEU CD2 C 13 22.935 0.1 . 1 . . . . A 156 LEU CD2 . 25887 1 663 . 1 . 1 57 57 LEU N N 15 120.903 0.1 . 1 . . . . A 156 LEU N . 25887 1 664 . 1 . 1 58 58 GLY H H 1 7.666 0.01 . 1 . . . . A 157 GLY H . 25887 1 665 . 1 . 1 58 58 GLY HA2 H 1 3.962 0.01 . 1 . . . . A 157 GLY HA2 . 25887 1 666 . 1 . 1 58 58 GLY HA3 H 1 3.962 0.01 . 1 . . . . A 157 GLY HA3 . 25887 1 667 . 1 . 1 58 58 GLY C C 13 174.321 0.1 . 1 . . . . A 157 GLY C . 25887 1 668 . 1 . 1 58 58 GLY CA C 13 46.187 0.1 . 1 . . . . A 157 GLY CA . 25887 1 669 . 1 . 1 58 58 GLY N N 15 105.004 0.1 . 1 . . . . A 157 GLY N . 25887 1 670 . 1 . 1 59 59 LEU H H 1 8.203 0.01 . 1 . . . . A 158 LEU H . 25887 1 671 . 1 . 1 59 59 LEU HA H 1 4.532 0.01 . 1 . . . . A 158 LEU HA . 25887 1 672 . 1 . 1 59 59 LEU HB2 H 1 1.706 0.01 . 2 . . . . A 158 LEU HB2 . 25887 1 673 . 1 . 1 59 59 LEU HB3 H 1 1.621 0.01 . 2 . . . . A 158 LEU HB3 . 25887 1 674 . 1 . 1 59 59 LEU HG H 1 1.547 0.01 . 1 . . . . A 158 LEU HG . 25887 1 675 . 1 . 1 59 59 LEU HD11 H 1 0.859 0.01 . 2 . . . . A 158 LEU HD11 . 25887 1 676 . 1 . 1 59 59 LEU HD12 H 1 0.859 0.01 . 2 . . . . A 158 LEU HD12 . 25887 1 677 . 1 . 1 59 59 LEU HD13 H 1 0.859 0.01 . 2 . . . . A 158 LEU HD13 . 25887 1 678 . 1 . 1 59 59 LEU HD21 H 1 0.882 0.01 . 2 . . . . A 158 LEU HD21 . 25887 1 679 . 1 . 1 59 59 LEU HD22 H 1 0.882 0.01 . 2 . . . . A 158 LEU HD22 . 25887 1 680 . 1 . 1 59 59 LEU HD23 H 1 0.882 0.01 . 2 . . . . A 158 LEU HD23 . 25887 1 681 . 1 . 1 59 59 LEU C C 13 176.712 0.1 . 1 . . . . A 158 LEU C . 25887 1 682 . 1 . 1 59 59 LEU CA C 13 53.76 0.1 . 1 . . . . A 158 LEU CA . 25887 1 683 . 1 . 1 59 59 LEU CB C 13 42.761 0.1 . 1 . . . . A 158 LEU CB . 25887 1 684 . 1 . 1 59 59 LEU CG C 13 26.164 0.1 . 1 . . . . A 158 LEU CG . 25887 1 685 . 1 . 1 59 59 LEU CD1 C 13 22.114 0.1 . 1 . . . . A 158 LEU CD1 . 25887 1 686 . 1 . 1 59 59 LEU CD2 C 13 25.309 0.1 . 1 . . . . A 158 LEU CD2 . 25887 1 687 . 1 . 1 59 59 LEU N N 15 119.534 0.1 . 1 . . . . A 158 LEU N . 25887 1 688 . 1 . 1 60 60 GLY H H 1 8.055 0.01 . 1 . . . . A 159 GLY H . 25887 1 689 . 1 . 1 60 60 GLY HA2 H 1 4.266 0.01 . 2 . . . . A 159 GLY HA2 . 25887 1 690 . 1 . 1 60 60 GLY HA3 H 1 3.869 0.01 . 2 . . . . A 159 GLY HA3 . 25887 1 691 . 1 . 1 60 60 GLY CA C 13 44.416 0.1 . 1 . . . . A 159 GLY CA . 25887 1 692 . 1 . 1 60 60 GLY N N 15 108.700 0.1 . 1 . . . . A 159 GLY N . 25887 1 693 . 1 . 1 61 61 PRO HA H 1 4.376 0.01 . 1 . . . . A 160 PRO HA . 25887 1 694 . 1 . 1 61 61 PRO HB2 H 1 1.452 0.01 . 2 . . . . A 160 PRO HB2 . 25887 1 695 . 1 . 1 61 61 PRO HB3 H 1 2.038 0.01 . 2 . . . . A 160 PRO HB3 . 25887 1 696 . 1 . 1 61 61 PRO HG2 H 1 1.797 0.01 . 2 . . . . A 160 PRO HG2 . 25887 1 697 . 1 . 1 61 61 PRO HG3 H 1 1.225 0.01 . 2 . . . . A 160 PRO HG3 . 25887 1 698 . 1 . 1 61 61 PRO HD2 H 1 3.472 0.01 . 1 . . . . A 160 PRO HD2 . 25887 1 699 . 1 . 1 61 61 PRO HD3 H 1 3.472 0.01 . 1 . . . . A 160 PRO HD3 . 25887 1 700 . 1 . 1 61 61 PRO C C 13 177.112 0.1 . 1 . . . . A 160 PRO C . 25887 1 701 . 1 . 1 61 61 PRO CA C 13 63.311 0.1 . 1 . . . . A 160 PRO CA . 25887 1 702 . 1 . 1 61 61 PRO CB C 13 31.562 0.1 . 1 . . . . A 160 PRO CB . 25887 1 703 . 1 . 1 61 61 PRO CG C 13 25.855 0.1 . 1 . . . . A 160 PRO CG . 25887 1 704 . 1 . 1 61 61 PRO CD C 13 48.946 0.1 . 1 . . . . A 160 PRO CD . 25887 1 705 . 1 . 1 62 62 TYR H H 1 8.130 0.01 . 1 . . . . A 161 TYR H . 25887 1 706 . 1 . 1 62 62 TYR HA H 1 4.818 0.01 . 1 . . . . A 161 TYR HA . 25887 1 707 . 1 . 1 62 62 TYR HB2 H 1 3.241 0.01 . 2 . . . . A 161 TYR HB2 . 25887 1 708 . 1 . 1 62 62 TYR HB3 H 1 2.980 0.01 . 2 . . . . A 161 TYR HB3 . 25887 1 709 . 1 . 1 62 62 TYR HD1 H 1 7.140 0.01 . 1 . . . . A 161 TYR HD1 . 25887 1 710 . 1 . 1 62 62 TYR HD2 H 1 7.140 0.01 . 1 . . . . A 161 TYR HD2 . 25887 1 711 . 1 . 1 62 62 TYR HE1 H 1 6.858 0.01 . 1 . . . . A 161 TYR HE1 . 25887 1 712 . 1 . 1 62 62 TYR HE2 H 1 6.858 0.01 . 1 . . . . A 161 TYR HE2 . 25887 1 713 . 1 . 1 62 62 TYR CA C 13 56.419 0.1 . 1 . . . . A 161 TYR CA . 25887 1 714 . 1 . 1 62 62 TYR CB C 13 36.961 0.1 . 1 . . . . A 161 TYR CB . 25887 1 715 . 1 . 1 62 62 TYR CD2 C 13 132.923 0.1 . 1 . . . . A 161 TYR CD2 . 25887 1 716 . 1 . 1 62 62 TYR CE2 C 13 118.345 0.1 . 1 . . . . A 161 TYR CE2 . 25887 1 717 . 1 . 1 62 62 TYR N N 15 119.287 0.1 . 1 . . . . A 161 TYR N . 25887 1 718 . 1 . 1 63 63 VAL HA H 1 4.733 0.01 . 1 . . . . A 162 VAL HA . 25887 1 719 . 1 . 1 63 63 VAL HB H 1 1.899 0.01 . 1 . . . . A 162 VAL HB . 25887 1 720 . 1 . 1 63 63 VAL HG11 H 1 0.866 0.01 . 1 . . . . A 162 VAL HG11 . 25887 1 721 . 1 . 1 63 63 VAL HG12 H 1 0.866 0.01 . 1 . . . . A 162 VAL HG12 . 25887 1 722 . 1 . 1 63 63 VAL HG13 H 1 0.866 0.01 . 1 . . . . A 162 VAL HG13 . 25887 1 723 . 1 . 1 63 63 VAL HG21 H 1 0.866 0.01 . 1 . . . . A 162 VAL HG21 . 25887 1 724 . 1 . 1 63 63 VAL HG22 H 1 0.866 0.01 . 1 . . . . A 162 VAL HG22 . 25887 1 725 . 1 . 1 63 63 VAL HG23 H 1 0.866 0.01 . 1 . . . . A 162 VAL HG23 . 25887 1 726 . 1 . 1 63 63 VAL CA C 13 60.346 0.1 . 1 . . . . A 162 VAL CA . 25887 1 727 . 1 . 1 63 63 VAL CB C 13 38.408 0.1 . 1 . . . . A 162 VAL CB . 25887 1 728 . 1 . 1 63 63 VAL CG1 C 13 20.947 0.1 . 1 . . . . A 162 VAL CG1 . 25887 1 729 . 1 . 1 63 63 VAL CG2 C 13 12.755 0.1 . 1 . . . . A 162 VAL CG2 . 25887 1 730 . 1 . 1 64 64 SER H H 1 8.641 0.01 . 1 . . . . A 163 SER H . 25887 1 731 . 1 . 1 64 64 SER HA H 1 4.788 0.01 . 1 . . . . A 163 SER HA . 25887 1 732 . 1 . 1 64 64 SER HB2 H 1 3.866 0.01 . 1 . . . . A 163 SER HB2 . 25887 1 733 . 1 . 1 64 64 SER HB3 H 1 3.866 0.01 . 1 . . . . A 163 SER HB3 . 25887 1 734 . 1 . 1 64 64 SER C C 13 173.141 0.1 . 1 . . . . A 163 SER C . 25887 1 735 . 1 . 1 64 64 SER CA C 13 56.672 0.1 . 1 . . . . A 163 SER CA . 25887 1 736 . 1 . 1 64 64 SER CB C 13 64.65 0.1 . 1 . . . . A 163 SER CB . 25887 1 737 . 1 . 1 64 64 SER N N 15 119.428 0.1 . 1 . . . . A 163 SER N . 25887 1 738 . 1 . 1 65 65 ILE H H 1 8.496 0.01 . 1 . . . . A 164 ILE H . 25887 1 739 . 1 . 1 65 65 ILE HA H 1 4.746 0.01 . 1 . . . . A 164 ILE HA . 25887 1 740 . 1 . 1 65 65 ILE HB H 1 1.563 0.01 . 1 . . . . A 164 ILE HB . 25887 1 741 . 1 . 1 65 65 ILE HG12 H 1 1.420 0.01 . 2 . . . . A 164 ILE HG12 . 25887 1 742 . 1 . 1 65 65 ILE HG13 H 1 0.755 0.01 . 2 . . . . A 164 ILE HG13 . 25887 1 743 . 1 . 1 65 65 ILE HG21 H 1 0.749 0.01 . 1 . . . . A 164 ILE HG21 . 25887 1 744 . 1 . 1 65 65 ILE HG22 H 1 0.749 0.01 . 1 . . . . A 164 ILE HG22 . 25887 1 745 . 1 . 1 65 65 ILE HG23 H 1 0.749 0.01 . 1 . . . . A 164 ILE HG23 . 25887 1 746 . 1 . 1 65 65 ILE HD11 H 1 0.644 0.01 . 1 . . . . A 164 ILE HD11 . 25887 1 747 . 1 . 1 65 65 ILE HD12 H 1 0.644 0.01 . 1 . . . . A 164 ILE HD12 . 25887 1 748 . 1 . 1 65 65 ILE HD13 H 1 0.644 0.01 . 1 . . . . A 164 ILE HD13 . 25887 1 749 . 1 . 1 65 65 ILE CA C 13 60.629 0.1 . 1 . . . . A 164 ILE CA . 25887 1 750 . 1 . 1 65 65 ILE CB C 13 41.311 0.1 . 1 . . . . A 164 ILE CB . 25887 1 751 . 1 . 1 65 65 ILE CG1 C 13 27.727 0.1 . 1 . . . . A 164 ILE CG1 . 25887 1 752 . 1 . 1 65 65 ILE CG2 C 13 17.002 0.1 . 1 . . . . A 164 ILE CG2 . 25887 1 753 . 1 . 1 65 65 ILE CD1 C 13 14.458 0.1 . 1 . . . . A 164 ILE CD1 . 25887 1 754 . 1 . 1 65 65 ILE N N 15 123.448 0.1 . 1 . . . . A 164 ILE N . 25887 1 755 . 1 . 1 66 66 ALA H H 1 8.941 0.01 . 1 . . . . A 165 ALA H . 25887 1 756 . 1 . 1 66 66 ALA HA H 1 4.870 0.01 . 1 . . . . A 165 ALA HA . 25887 1 757 . 1 . 1 66 66 ALA HB1 H 1 1.395 0.01 . 1 . . . . A 165 ALA HB1 . 25887 1 758 . 1 . 1 66 66 ALA HB2 H 1 1.395 0.01 . 1 . . . . A 165 ALA HB2 . 25887 1 759 . 1 . 1 66 66 ALA HB3 H 1 1.395 0.01 . 1 . . . . A 165 ALA HB3 . 25887 1 760 . 1 . 1 66 66 ALA C C 13 176.219 0.1 . 1 . . . . A 165 ALA C . 25887 1 761 . 1 . 1 66 66 ALA CA C 13 50.78 0.1 . 1 . . . . A 165 ALA CA . 25887 1 762 . 1 . 1 66 66 ALA CB C 13 21.348 0.1 . 1 . . . . A 165 ALA CB . 25887 1 763 . 1 . 1 66 66 ALA N N 15 129.783 0.1 . 1 . . . . A 165 ALA N . 25887 1 764 . 1 . 1 67 67 CYS H H 1 9.049 0.01 . 1 . . . . A 166 CYS H . 25887 1 765 . 1 . 1 67 67 CYS HA H 1 5.552 0.01 . 1 . . . . A 166 CYS HA . 25887 1 766 . 1 . 1 67 67 CYS HB2 H 1 3.113 0.01 . 2 . . . . A 166 CYS HB2 . 25887 1 767 . 1 . 1 67 67 CYS HB3 H 1 3.720 0.01 . 2 . . . . A 166 CYS HB3 . 25887 1 768 . 1 . 1 67 67 CYS C C 13 172.289 0.1 . 1 . . . . A 166 CYS C . 25887 1 769 . 1 . 1 67 67 CYS CA C 13 53.119 0.1 . 1 . . . . A 166 CYS CA . 25887 1 770 . 1 . 1 67 67 CYS CB C 13 48.826 0.1 . 1 . . . . A 166 CYS CB . 25887 1 771 . 1 . 1 67 67 CYS N N 15 119.842 0.1 . 1 . . . . A 166 CYS N . 25887 1 772 . 1 . 1 68 68 CYS H H 1 9.297 0.01 . 1 . . . . A 167 CYS H . 25887 1 773 . 1 . 1 68 68 CYS HA H 1 5.236 0.01 . 1 . . . . A 167 CYS HA . 25887 1 774 . 1 . 1 68 68 CYS HB2 H 1 3.611 0.01 . 2 . . . . A 167 CYS HB2 . 25887 1 775 . 1 . 1 68 68 CYS HB3 H 1 3.554 0.01 . 2 . . . . A 167 CYS HB3 . 25887 1 776 . 1 . 1 68 68 CYS C C 13 173.562 0.1 . 1 . . . . A 167 CYS C . 25887 1 777 . 1 . 1 68 68 CYS CA C 13 55.141 0.1 . 1 . . . . A 167 CYS CA . 25887 1 778 . 1 . 1 68 68 CYS CB C 13 45.463 0.1 . 1 . . . . A 167 CYS CB . 25887 1 779 . 1 . 1 68 68 CYS N N 15 118.569 0.1 . 1 . . . . A 167 CYS N . 25887 1 780 . 1 . 1 69 69 GLN H H 1 9.105 0.01 . 1 . . . . A 168 GLN H . 25887 1 781 . 1 . 1 69 69 GLN HA H 1 4.830 0.01 . 1 . . . . A 168 GLN HA . 25887 1 782 . 1 . 1 69 69 GLN HB2 H 1 2.229 0.01 . 2 . . . . A 168 GLN HB2 . 25887 1 783 . 1 . 1 69 69 GLN HB3 H 1 1.853 0.01 . 2 . . . . A 168 GLN HB3 . 25887 1 784 . 1 . 1 69 69 GLN HG2 H 1 1.937 0.01 . 1 . . . . A 168 GLN HG2 . 25887 1 785 . 1 . 1 69 69 GLN HG3 H 1 1.937 0.01 . 1 . . . . A 168 GLN HG3 . 25887 1 786 . 1 . 1 69 69 GLN HE21 H 1 7.055 0.01 . 2 . . . . A 168 GLN HE21 . 25887 1 787 . 1 . 1 69 69 GLN HE22 H 1 6.839 0.01 . 2 . . . . A 168 GLN HE22 . 25887 1 788 . 1 . 1 69 69 GLN C C 13 174.362 0.1 . 1 . . . . A 168 GLN C . 25887 1 789 . 1 . 1 69 69 GLN CA C 13 55.985 0.1 . 1 . . . . A 168 GLN CA . 25887 1 790 . 1 . 1 69 69 GLN CB C 13 31.688 0.1 . 1 . . . . A 168 GLN CB . 25887 1 791 . 1 . 1 69 69 GLN CG C 13 34.882 0.1 . 1 . . . . A 168 GLN CG . 25887 1 792 . 1 . 1 69 69 GLN N N 15 118.916 0.1 . 1 . . . . A 168 GLN N . 25887 1 793 . 1 . 1 69 69 GLN NE2 N 15 110.997 0.1 . 1 . . . . A 168 GLN NE2 . 25887 1 794 . 1 . 1 70 70 THR H H 1 7.540 0.01 . 1 . . . . A 169 THR H . 25887 1 795 . 1 . 1 70 70 THR HA H 1 4.813 0.01 . 1 . . . . A 169 THR HA . 25887 1 796 . 1 . 1 70 70 THR HB H 1 4.340 0.01 . 1 . . . . A 169 THR HB . 25887 1 797 . 1 . 1 70 70 THR HG21 H 1 1.261 0.01 . 1 . . . . A 169 THR HG21 . 25887 1 798 . 1 . 1 70 70 THR HG22 H 1 1.261 0.01 . 1 . . . . A 169 THR HG22 . 25887 1 799 . 1 . 1 70 70 THR HG23 H 1 1.261 0.01 . 1 . . . . A 169 THR HG23 . 25887 1 800 . 1 . 1 70 70 THR C C 13 173.859 0.1 . 1 . . . . A 169 THR C . 25887 1 801 . 1 . 1 70 70 THR CA C 13 60.038 0.1 . 1 . . . . A 169 THR CA . 25887 1 802 . 1 . 1 70 70 THR CB C 13 71.377 0.1 . 1 . . . . A 169 THR CB . 25887 1 803 . 1 . 1 70 70 THR CG2 C 13 21.761 0.1 . 1 . . . . A 169 THR CG2 . 25887 1 804 . 1 . 1 70 70 THR N N 15 110.926 0.1 . 1 . . . . A 169 THR N . 25887 1 805 . 1 . 1 71 71 SER H H 1 8.814 0.01 . 1 . . . . A 170 SER H . 25887 1 806 . 1 . 1 71 71 SER HA H 1 4.850 0.01 . 1 . . . . A 170 SER HA . 25887 1 807 . 1 . 1 71 71 SER HB2 H 1 3.943 0.01 . 2 . . . . A 170 SER HB2 . 25887 1 808 . 1 . 1 71 71 SER HB3 H 1 3.780 0.01 . 2 . . . . A 170 SER HB3 . 25887 1 809 . 1 . 1 71 71 SER C C 13 175.757 0.1 . 1 . . . . A 170 SER C . 25887 1 810 . 1 . 1 71 71 SER CA C 13 60.987 0.1 . 1 . . . . A 170 SER CA . 25887 1 811 . 1 . 1 71 71 SER CB C 13 63.104 0.1 . 1 . . . . A 170 SER CB . 25887 1 812 . 1 . 1 71 71 SER N N 15 117.386 0.1 . 1 . . . . A 170 SER N . 25887 1 813 . 1 . 1 72 72 LEU H H 1 9.570 0.01 . 1 . . . . A 171 LEU H . 25887 1 814 . 1 . 1 72 72 LEU HA H 1 3.660 0.01 . 1 . . . . A 171 LEU HA . 25887 1 815 . 1 . 1 72 72 LEU HB2 H 1 2.116 0.01 . 2 . . . . A 171 LEU HB2 . 25887 1 816 . 1 . 1 72 72 LEU HB3 H 1 1.780 0.01 . 2 . . . . A 171 LEU HB3 . 25887 1 817 . 1 . 1 72 72 LEU HG H 1 1.372 0.01 . 1 . . . . A 171 LEU HG . 25887 1 818 . 1 . 1 72 72 LEU HD11 H 1 0.772 0.01 . 2 . . . . A 171 LEU HD11 . 25887 1 819 . 1 . 1 72 72 LEU HD12 H 1 0.772 0.01 . 2 . . . . A 171 LEU HD12 . 25887 1 820 . 1 . 1 72 72 LEU HD13 H 1 0.772 0.01 . 2 . . . . A 171 LEU HD13 . 25887 1 821 . 1 . 1 72 72 LEU HD21 H 1 0.334 0.01 . 2 . . . . A 171 LEU HD21 . 25887 1 822 . 1 . 1 72 72 LEU HD22 H 1 0.334 0.01 . 2 . . . . A 171 LEU HD22 . 25887 1 823 . 1 . 1 72 72 LEU HD23 H 1 0.334 0.01 . 2 . . . . A 171 LEU HD23 . 25887 1 824 . 1 . 1 72 72 LEU C C 13 176.055 0.1 . 1 . . . . A 171 LEU C . 25887 1 825 . 1 . 1 72 72 LEU CA C 13 56.025 0.1 . 1 . . . . A 171 LEU CA . 25887 1 826 . 1 . 1 72 72 LEU CB C 13 37.288 0.1 . 1 . . . . A 171 LEU CB . 25887 1 827 . 1 . 1 72 72 LEU CG C 13 26.274 0.1 . 1 . . . . A 171 LEU CG . 25887 1 828 . 1 . 1 72 72 LEU CD1 C 13 24.866 0.1 . 1 . . . . A 171 LEU CD1 . 25887 1 829 . 1 . 1 72 72 LEU CD2 C 13 22.361 0.1 . 1 . . . . A 171 LEU CD2 . 25887 1 830 . 1 . 1 72 72 LEU N N 15 116.724 0.1 . 1 . . . . A 171 LEU N . 25887 1 831 . 1 . 1 73 73 CYS H H 1 8.221 0.01 . 1 . . . . A 172 CYS H . 25887 1 832 . 1 . 1 73 73 CYS HA H 1 4.614 0.01 . 1 . . . . A 172 CYS HA . 25887 1 833 . 1 . 1 73 73 CYS HB2 H 1 3.393 0.01 . 2 . . . . A 172 CYS HB2 . 25887 1 834 . 1 . 1 73 73 CYS HB3 H 1 4.005 0.01 . 2 . . . . A 172 CYS HB3 . 25887 1 835 . 1 . 1 73 73 CYS C C 13 174.424 0.1 . 1 . . . . A 172 CYS C . 25887 1 836 . 1 . 1 73 73 CYS CA C 13 57.81 0.1 . 1 . . . . A 172 CYS CA . 25887 1 837 . 1 . 1 73 73 CYS CB C 13 45.571 0.1 . 1 . . . . A 172 CYS CB . 25887 1 838 . 1 . 1 73 73 CYS N N 15 113.842 0.1 . 1 . . . . A 172 CYS N . 25887 1 839 . 1 . 1 74 74 ASN H H 1 8.458 0.01 . 1 . . . . A 173 ASN H . 25887 1 840 . 1 . 1 74 74 ASN HA H 1 4.757 0.01 . 1 . . . . A 173 ASN HA . 25887 1 841 . 1 . 1 74 74 ASN HB2 H 1 2.439 0.01 . 2 . . . . A 173 ASN HB2 . 25887 1 842 . 1 . 1 74 74 ASN HB3 H 1 3.447 0.01 . 2 . . . . A 173 ASN HB3 . 25887 1 843 . 1 . 1 74 74 ASN HD21 H 1 6.977 0.01 . 2 . . . . A 173 ASN HD21 . 25887 1 844 . 1 . 1 74 74 ASN HD22 H 1 8.056 0.01 . 2 . . . . A 173 ASN HD22 . 25887 1 845 . 1 . 1 74 74 ASN C C 13 174.239 0.1 . 1 . . . . A 173 ASN C . 25887 1 846 . 1 . 1 74 74 ASN CA C 13 51.765 0.1 . 1 . . . . A 173 ASN CA . 25887 1 847 . 1 . 1 74 74 ASN CB C 13 35.401 0.1 . 1 . . . . A 173 ASN CB . 25887 1 848 . 1 . 1 74 74 ASN N N 15 121.019 0.1 . 1 . . . . A 173 ASN N . 25887 1 849 . 1 . 1 74 74 ASN ND2 N 15 111.754 0.1 . 1 . . . . A 173 ASN ND2 . 25887 1 850 . 1 . 1 75 75 HIS H H 1 7.170 0.01 . 1 . . . . A 174 HIS H . 25887 1 851 . 1 . 1 75 75 HIS HA H 1 4.312 0.01 . 1 . . . . A 174 HIS HA . 25887 1 852 . 1 . 1 75 75 HIS HB2 H 1 3.463 0.01 . 1 . . . . A 174 HIS HB2 . 25887 1 853 . 1 . 1 75 75 HIS HB3 H 1 3.463 0.01 . 1 . . . . A 174 HIS HB3 . 25887 1 854 . 1 . 1 75 75 HIS HD2 H 1 7.739 0.01 . 1 . . . . A 174 HIS HD2 . 25887 1 855 . 1 . 1 75 75 HIS C C 13 173.213 0.1 . 1 . . . . A 174 HIS C . 25887 1 856 . 1 . 1 75 75 HIS CA C 13 53.844 0.1 . 1 . . . . A 174 HIS CA . 25887 1 857 . 1 . 1 75 75 HIS CB C 13 29.11 0.1 . 1 . . . . A 174 HIS CB . 25887 1 858 . 1 . 1 75 75 HIS CD2 C 13 122.086 0.1 . 1 . . . . A 174 HIS CD2 . 25887 1 859 . 1 . 1 75 75 HIS N N 15 115.973 0.1 . 1 . . . . A 174 HIS N . 25887 1 860 . 1 . 1 76 76 ASP H H 1 8.791 0.01 . 1 . . . . A 175 ASP H . 25887 1 861 . 1 . 1 76 76 ASP HA H 1 4.452 0.01 . 1 . . . . A 175 ASP HA . 25887 1 862 . 1 . 1 76 76 ASP HB2 H 1 2.898 0.01 . 2 . . . . A 175 ASP HB2 . 25887 1 863 . 1 . 1 76 76 ASP HB3 H 1 2.447 0.01 . 2 . . . . A 175 ASP HB3 . 25887 1 864 . 1 . 1 76 76 ASP CA C 13 56.506 0.1 . 1 . . . . A 175 ASP CA . 25887 1 865 . 1 . 1 76 76 ASP CB C 13 41.107 0.1 . 1 . . . . A 175 ASP CB . 25887 1 866 . 1 . 1 76 76 ASP N N 15 127.281 0.1 . 1 . . . . A 175 ASP N . 25887 1 stop_ save_