data_25801 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25801 _Entry.Title ; UBL domain of the human DNA damage-inducible protein homolog 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-08 _Entry.Accession_date 2015-09-08 _Entry.Last_release_date 2016-07-13 _Entry.Original_release_date 2016-07-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Monika Siva . . . . 25801 2 Klara 'Grantz Saskova' . . . . 25801 3 Vaclav Veverka . . . . 25801 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' . 25801 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DDI2 . 25801 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25801 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 332 25801 '15N chemical shifts' 83 25801 '1H chemical shifts' 579 25801 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 2 . . 2017-08-15 2015-09-08 update author 'update entry citation' 25801 1 . . 2016-07-13 2015-09-08 original author 'original release' 25801 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25803 'UBL domain of the yeast DNA damage-inducible protein homolog 1' 25801 PDB 2N7D 'BMRB Entry Tracking System' 25801 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25801 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27461074 _Citation.Full_citation . _Citation.Title ; Human DNA-Damage-Inducible 2 Protein Is Structurally and Functionally Distinct from Its Yeast Ortholog ; _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 30443 _Citation.Page_last 30443 _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 Monika Siva M. . . . 25801 1 2 Michal Svoboda M. . . . 25801 1 3 Vaclav Veverka V. . . . 25801 1 4 Jean-Francois Trempe J. F. . . 25801 1 5 Kay Hofmann K. . . . 25801 1 6 Milan Kozisek M. . . . 25801 1 7 Rozalie Hexnerova R. . . . 25801 1 8 Frantisek Sedlak F. . . . 25801 1 9 Jan Belza J. . . . 25801 1 10 Jiri Brynda J. . . . 25801 1 11 Pavel Sacha P. . . . 25801 1 12 Martin Hubalek M. . . . 25801 1 13 Jana Starkova J. . . . 25801 1 14 Iva Flaisigova I. . . . 25801 1 15 Jan Konvalinka J. . . . 25801 1 16 'Klara Grantz' Saskova K. G. . . 25801 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25801 _Assembly.ID 1 _Assembly.Name 'UBL domain of the human DNA damage-inducible protein homolog 2' _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 entity 1 $entity A . yes native no no . . . 25801 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25801 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MGHHHHHHHHHHSSGHIEGR HMLLTVYCVRRDLSEVTFSL QVDADFELHNFRALCELESG IPAAESQIVYAERPLTDNHR SLASYGLKDGDVVILRQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11142.557 _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 80 MET . 25801 1 2 81 GLY . 25801 1 3 82 HIS . 25801 1 4 83 HIS . 25801 1 5 84 HIS . 25801 1 6 85 HIS . 25801 1 7 86 HIS . 25801 1 8 87 HIS . 25801 1 9 88 HIS . 25801 1 10 89 HIS . 25801 1 11 90 HIS . 25801 1 12 91 HIS . 25801 1 13 92 SER . 25801 1 14 93 SER . 25801 1 15 94 GLY . 25801 1 16 95 HIS . 25801 1 17 96 ILE . 25801 1 18 97 GLU . 25801 1 19 98 GLY . 25801 1 20 99 ARG . 25801 1 21 100 HIS . 25801 1 22 101 MET . 25801 1 23 102 LEU . 25801 1 24 103 LEU . 25801 1 25 104 THR . 25801 1 26 105 VAL . 25801 1 27 106 TYR . 25801 1 28 107 CYS . 25801 1 29 108 VAL . 25801 1 30 109 ARG . 25801 1 31 110 ARG . 25801 1 32 111 ASP . 25801 1 33 112 LEU . 25801 1 34 113 SER . 25801 1 35 114 GLU . 25801 1 36 115 VAL . 25801 1 37 116 THR . 25801 1 38 117 PHE . 25801 1 39 118 SER . 25801 1 40 119 LEU . 25801 1 41 120 GLN . 25801 1 42 121 VAL . 25801 1 43 122 ASP . 25801 1 44 123 ALA . 25801 1 45 124 ASP . 25801 1 46 125 PHE . 25801 1 47 126 GLU . 25801 1 48 127 LEU . 25801 1 49 128 HIS . 25801 1 50 129 ASN . 25801 1 51 130 PHE . 25801 1 52 131 ARG . 25801 1 53 132 ALA . 25801 1 54 133 LEU . 25801 1 55 134 CYS . 25801 1 56 135 GLU . 25801 1 57 136 LEU . 25801 1 58 137 GLU . 25801 1 59 138 SER . 25801 1 60 139 GLY . 25801 1 61 140 ILE . 25801 1 62 141 PRO . 25801 1 63 142 ALA . 25801 1 64 143 ALA . 25801 1 65 144 GLU . 25801 1 66 145 SER . 25801 1 67 146 GLN . 25801 1 68 147 ILE . 25801 1 69 148 VAL . 25801 1 70 149 TYR . 25801 1 71 150 ALA . 25801 1 72 151 GLU . 25801 1 73 152 ARG . 25801 1 74 153 PRO . 25801 1 75 154 LEU . 25801 1 76 155 THR . 25801 1 77 156 ASP . 25801 1 78 157 ASN . 25801 1 79 158 HIS . 25801 1 80 159 ARG . 25801 1 81 160 SER . 25801 1 82 161 LEU . 25801 1 83 162 ALA . 25801 1 84 163 SER . 25801 1 85 164 TYR . 25801 1 86 165 GLY . 25801 1 87 166 LEU . 25801 1 88 167 LYS . 25801 1 89 168 ASP . 25801 1 90 169 GLY . 25801 1 91 170 ASP . 25801 1 92 171 VAL . 25801 1 93 172 VAL . 25801 1 94 173 ILE . 25801 1 95 174 LEU . 25801 1 96 175 ARG . 25801 1 97 176 GLN . 25801 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 25801 1 . GLY 2 2 25801 1 . HIS 3 3 25801 1 . HIS 4 4 25801 1 . HIS 5 5 25801 1 . HIS 6 6 25801 1 . HIS 7 7 25801 1 . HIS 8 8 25801 1 . HIS 9 9 25801 1 . HIS 10 10 25801 1 . HIS 11 11 25801 1 . HIS 12 12 25801 1 . SER 13 13 25801 1 . SER 14 14 25801 1 . GLY 15 15 25801 1 . HIS 16 16 25801 1 . ILE 17 17 25801 1 . GLU 18 18 25801 1 . GLY 19 19 25801 1 . ARG 20 20 25801 1 . HIS 21 21 25801 1 . MET 22 22 25801 1 . LEU 23 23 25801 1 . LEU 24 24 25801 1 . THR 25 25 25801 1 . VAL 26 26 25801 1 . TYR 27 27 25801 1 . CYS 28 28 25801 1 . VAL 29 29 25801 1 . ARG 30 30 25801 1 . ARG 31 31 25801 1 . ASP 32 32 25801 1 . LEU 33 33 25801 1 . SER 34 34 25801 1 . GLU 35 35 25801 1 . VAL 36 36 25801 1 . THR 37 37 25801 1 . PHE 38 38 25801 1 . SER 39 39 25801 1 . LEU 40 40 25801 1 . GLN 41 41 25801 1 . VAL 42 42 25801 1 . ASP 43 43 25801 1 . ALA 44 44 25801 1 . ASP 45 45 25801 1 . PHE 46 46 25801 1 . GLU 47 47 25801 1 . LEU 48 48 25801 1 . HIS 49 49 25801 1 . ASN 50 50 25801 1 . PHE 51 51 25801 1 . ARG 52 52 25801 1 . ALA 53 53 25801 1 . LEU 54 54 25801 1 . CYS 55 55 25801 1 . GLU 56 56 25801 1 . LEU 57 57 25801 1 . GLU 58 58 25801 1 . SER 59 59 25801 1 . GLY 60 60 25801 1 . ILE 61 61 25801 1 . PRO 62 62 25801 1 . ALA 63 63 25801 1 . ALA 64 64 25801 1 . GLU 65 65 25801 1 . SER 66 66 25801 1 . GLN 67 67 25801 1 . ILE 68 68 25801 1 . VAL 69 69 25801 1 . TYR 70 70 25801 1 . ALA 71 71 25801 1 . GLU 72 72 25801 1 . ARG 73 73 25801 1 . PRO 74 74 25801 1 . LEU 75 75 25801 1 . THR 76 76 25801 1 . ASP 77 77 25801 1 . ASN 78 78 25801 1 . HIS 79 79 25801 1 . ARG 80 80 25801 1 . SER 81 81 25801 1 . LEU 82 82 25801 1 . ALA 83 83 25801 1 . SER 84 84 25801 1 . TYR 85 85 25801 1 . GLY 86 86 25801 1 . LEU 87 87 25801 1 . LYS 88 88 25801 1 . ASP 89 89 25801 1 . GLY 90 90 25801 1 . ASP 91 91 25801 1 . VAL 92 92 25801 1 . VAL 93 93 25801 1 . ILE 94 94 25801 1 . LEU 95 95 25801 1 . ARG 96 96 25801 1 . GLN 97 97 25801 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 25801 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25801 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 25801 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . n/a . . . 25801 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25801 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25801 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25801 1 3 entity '[U-13C; U-15N]' . . 1 $entity . . 0.4 . . mM . . . . 25801 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 25801 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 25801 1 pH 6.5 . pH 25801 1 pressure 1 . atm 25801 1 temperature 298 . K 25801 1 stop_ save_ ############################ # Computer software used # ############################ save_YASARA _Software.Sf_category software _Software.Sf_framecode YASARA _Software.Entry_ID 25801 _Software.ID 1 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID YASARA . . 25801 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25801 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25801 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25801 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25801 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25801 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25801 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25801 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 25801 1 2 spectrometer_2 Bruker Avance . 600 . . . 25801 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 25801 _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 . . . . . . . . . . . . . . . . . . . . . 25801 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25801 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25801 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25801 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25801 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25801 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25801 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 25801 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 . . . . . 25801 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25801 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25801 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 25801 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25801 1 2 '3D HNCACB' . . . 25801 1 4 '3D HCCH-TOCSY' . . . 25801 1 7 '3D HNCO' . . . 25801 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 16 16 HIS C C 13 175.478 0.200 . 1 . . . A 95 HIS C . 25801 1 2 . 1 1 16 16 HIS CA C 13 56.175 0.200 . 1 . . . A 95 HIS CA . 25801 1 3 . 1 1 16 16 HIS CB C 13 30.684 0.200 . 1 . . . A 95 HIS CB . 25801 1 4 . 1 1 17 17 ILE H H 1 8.059 0.020 . 1 . . . A 96 ILE H . 25801 1 5 . 1 1 17 17 ILE HA H 1 3.996 0.020 . 1 . . . A 96 ILE HA . 25801 1 6 . 1 1 17 17 ILE HB H 1 1.639 0.020 . 1 . . . A 96 ILE HB . 25801 1 7 . 1 1 17 17 ILE HG12 H 1 0.988 0.020 . 2 . . . A 96 ILE HG12 . 25801 1 8 . 1 1 17 17 ILE HG13 H 1 1.290 0.020 . 2 . . . A 96 ILE HG13 . 25801 1 9 . 1 1 17 17 ILE HG21 H 1 0.717 0.020 . 1 . . . A 96 ILE HG21 . 25801 1 10 . 1 1 17 17 ILE HG22 H 1 0.717 0.020 . 1 . . . A 96 ILE HG22 . 25801 1 11 . 1 1 17 17 ILE HG23 H 1 0.717 0.020 . 1 . . . A 96 ILE HG23 . 25801 1 12 . 1 1 17 17 ILE HD11 H 1 0.706 0.020 . 1 . . . A 96 ILE HD11 . 25801 1 13 . 1 1 17 17 ILE HD12 H 1 0.706 0.020 . 1 . . . A 96 ILE HD12 . 25801 1 14 . 1 1 17 17 ILE HD13 H 1 0.706 0.020 . 1 . . . A 96 ILE HD13 . 25801 1 15 . 1 1 17 17 ILE C C 13 176.138 0.200 . 1 . . . A 96 ILE C . 25801 1 16 . 1 1 17 17 ILE CA C 13 60.581 0.200 . 1 . . . A 96 ILE CA . 25801 1 17 . 1 1 17 17 ILE CB C 13 38.432 0.200 . 1 . . . A 96 ILE CB . 25801 1 18 . 1 1 17 17 ILE CG1 C 13 26.843 0.200 . 1 . . . A 96 ILE CG1 . 25801 1 19 . 1 1 17 17 ILE CG2 C 13 17.043 0.200 . 1 . . . A 96 ILE CG2 . 25801 1 20 . 1 1 17 17 ILE CD1 C 13 12.360 0.200 . 1 . . . A 96 ILE CD1 . 25801 1 21 . 1 1 17 17 ILE N N 15 123.708 0.200 . 1 . . . A 96 ILE N . 25801 1 22 . 1 1 18 18 GLU H H 1 8.444 0.020 . 1 . . . A 97 GLU H . 25801 1 23 . 1 1 18 18 GLU HA H 1 4.513 0.020 . 1 . . . A 97 GLU HA . 25801 1 24 . 1 1 18 18 GLU HB2 H 1 1.931 0.020 . 2 . . . A 97 GLU HB2 . 25801 1 25 . 1 1 18 18 GLU HB3 H 1 1.827 0.020 . 2 . . . A 97 GLU HB3 . 25801 1 26 . 1 1 18 18 GLU HG2 H 1 2.161 0.020 . 2 . . . A 97 GLU HG2 . 25801 1 27 . 1 1 18 18 GLU HG3 H 1 2.161 0.020 . 2 . . . A 97 GLU HG3 . 25801 1 28 . 1 1 18 18 GLU C C 13 177.116 0.200 . 1 . . . A 97 GLU C . 25801 1 29 . 1 1 18 18 GLU CA C 13 56.439 0.200 . 1 . . . A 97 GLU CA . 25801 1 30 . 1 1 18 18 GLU CB C 13 30.017 0.200 . 1 . . . A 97 GLU CB . 25801 1 31 . 1 1 18 18 GLU CG C 13 35.950 0.200 . 1 . . . A 97 GLU CG . 25801 1 32 . 1 1 18 18 GLU N N 15 125.458 0.200 . 1 . . . A 97 GLU N . 25801 1 33 . 1 1 19 19 GLY H H 1 8.382 0.020 . 1 . . . A 98 GLY H . 25801 1 34 . 1 1 19 19 GLY HA2 H 1 3.819 0.020 . 2 . . . A 98 GLY HA2 . 25801 1 35 . 1 1 19 19 GLY HA3 H 1 3.819 0.020 . 2 . . . A 98 GLY HA3 . 25801 1 36 . 1 1 19 19 GLY C C 13 174.104 0.200 . 1 . . . A 98 GLY C . 25801 1 37 . 1 1 19 19 GLY CA C 13 45.110 0.200 . 1 . . . A 98 GLY CA . 25801 1 38 . 1 1 19 19 GLY N N 15 110.618 0.200 . 1 . . . A 98 GLY N . 25801 1 39 . 1 1 20 20 ARG H H 1 8.133 0.020 . 1 . . . A 99 ARG H . 25801 1 40 . 1 1 20 20 ARG HA H 1 4.202 0.020 . 1 . . . A 99 ARG HA . 25801 1 41 . 1 1 20 20 ARG HB2 H 1 1.534 0.020 . 2 . . . A 99 ARG HB2 . 25801 1 42 . 1 1 20 20 ARG HB3 H 1 1.624 0.020 . 2 . . . A 99 ARG HB3 . 25801 1 43 . 1 1 20 20 ARG HG2 H 1 1.334 0.020 . 2 . . . A 99 ARG HG2 . 25801 1 44 . 1 1 20 20 ARG HG3 H 1 1.420 0.020 . 2 . . . A 99 ARG HG3 . 25801 1 45 . 1 1 20 20 ARG HD2 H 1 3.012 0.020 . 2 . . . A 99 ARG HD2 . 25801 1 46 . 1 1 20 20 ARG HD3 H 1 3.012 0.020 . 2 . . . A 99 ARG HD3 . 25801 1 47 . 1 1 20 20 ARG C C 13 175.895 0.200 . 1 . . . A 99 ARG C . 25801 1 48 . 1 1 20 20 ARG CA C 13 55.354 0.200 . 1 . . . A 99 ARG CA . 25801 1 49 . 1 1 20 20 ARG CB C 13 30.396 0.200 . 1 . . . A 99 ARG CB . 25801 1 50 . 1 1 20 20 ARG CG C 13 26.657 0.200 . 1 . . . A 99 ARG CG . 25801 1 51 . 1 1 20 20 ARG CD C 13 42.889 0.200 . 1 . . . A 99 ARG CD . 25801 1 52 . 1 1 20 20 ARG N N 15 120.507 0.200 . 1 . . . A 99 ARG N . 25801 1 53 . 1 1 21 21 HIS H H 1 7.957 0.020 . 1 . . . A 100 HIS H . 25801 1 54 . 1 1 21 21 HIS HA H 1 4.867 0.020 . 1 . . . A 100 HIS HA . 25801 1 55 . 1 1 21 21 HIS HB2 H 1 2.800 0.020 . 2 . . . A 100 HIS HB2 . 25801 1 56 . 1 1 21 21 HIS HB3 H 1 2.800 0.020 . 2 . . . A 100 HIS HB3 . 25801 1 57 . 1 1 21 21 HIS HD2 H 1 6.749 0.020 . 1 . . . A 100 HIS HD2 . 25801 1 58 . 1 1 21 21 HIS HE1 H 1 7.853 0.020 . 1 . . . A 100 HIS HE1 . 25801 1 59 . 1 1 21 21 HIS C C 13 174.942 0.200 . 1 . . . A 100 HIS C . 25801 1 60 . 1 1 21 21 HIS CA C 13 55.327 0.200 . 1 . . . A 100 HIS CA . 25801 1 61 . 1 1 21 21 HIS CB C 13 31.634 0.200 . 1 . . . A 100 HIS CB . 25801 1 62 . 1 1 21 21 HIS N N 15 119.799 0.200 . 1 . . . A 100 HIS N . 25801 1 63 . 1 1 22 22 MET H H 1 8.809 0.020 . 1 . . . A 101 MET H . 25801 1 64 . 1 1 22 22 MET HA H 1 4.538 0.020 . 1 . . . A 101 MET HA . 25801 1 65 . 1 1 22 22 MET HB2 H 1 1.723 0.020 . 2 . . . A 101 MET HB2 . 25801 1 66 . 1 1 22 22 MET HB3 H 1 1.611 0.020 . 2 . . . A 101 MET HB3 . 25801 1 67 . 1 1 22 22 MET HG2 H 1 2.111 0.020 . 2 . . . A 101 MET HG2 . 25801 1 68 . 1 1 22 22 MET HG3 H 1 2.020 0.020 . 2 . . . A 101 MET HG3 . 25801 1 69 . 1 1 22 22 MET HE1 H 1 1.514 0.020 . 1 . . . A 101 MET HE1 . 25801 1 70 . 1 1 22 22 MET HE2 H 1 1.514 0.020 . 1 . . . A 101 MET HE2 . 25801 1 71 . 1 1 22 22 MET HE3 H 1 1.514 0.020 . 1 . . . A 101 MET HE3 . 25801 1 72 . 1 1 22 22 MET C C 13 172.869 0.200 . 1 . . . A 101 MET C . 25801 1 73 . 1 1 22 22 MET CA C 13 54.364 0.200 . 1 . . . A 101 MET CA . 25801 1 74 . 1 1 22 22 MET CB C 13 35.740 0.200 . 1 . . . A 101 MET CB . 25801 1 75 . 1 1 22 22 MET CG C 13 30.731 0.200 . 1 . . . A 101 MET CG . 25801 1 76 . 1 1 22 22 MET CE C 13 17.164 0.200 . 1 . . . A 101 MET CE . 25801 1 77 . 1 1 22 22 MET N N 15 119.170 0.200 . 1 . . . A 101 MET N . 25801 1 78 . 1 1 23 23 LEU H H 1 9.121 0.020 . 1 . . . A 102 LEU H . 25801 1 79 . 1 1 23 23 LEU HA H 1 4.917 0.020 . 1 . . . A 102 LEU HA . 25801 1 80 . 1 1 23 23 LEU HB2 H 1 1.724 0.020 . 1 . . . A 102 LEU HB2 . 25801 1 81 . 1 1 23 23 LEU HB3 H 1 1.338 0.020 . 1 . . . A 102 LEU HB3 . 25801 1 82 . 1 1 23 23 LEU HG H 1 1.316 0.020 . 1 . . . A 102 LEU HG . 25801 1 83 . 1 1 23 23 LEU HD11 H 1 0.720 0.020 . 2 . . . A 102 LEU HD11 . 25801 1 84 . 1 1 23 23 LEU HD12 H 1 0.720 0.020 . 2 . . . A 102 LEU HD12 . 25801 1 85 . 1 1 23 23 LEU HD13 H 1 0.720 0.020 . 2 . . . A 102 LEU HD13 . 25801 1 86 . 1 1 23 23 LEU HD21 H 1 0.712 0.020 . 2 . . . A 102 LEU HD21 . 25801 1 87 . 1 1 23 23 LEU HD22 H 1 0.712 0.020 . 2 . . . A 102 LEU HD22 . 25801 1 88 . 1 1 23 23 LEU HD23 H 1 0.712 0.020 . 2 . . . A 102 LEU HD23 . 25801 1 89 . 1 1 23 23 LEU C C 13 176.723 0.200 . 1 . . . A 102 LEU C . 25801 1 90 . 1 1 23 23 LEU CA C 13 53.679 0.200 . 1 . . . A 102 LEU CA . 25801 1 91 . 1 1 23 23 LEU CB C 13 42.939 0.200 . 1 . . . A 102 LEU CB . 25801 1 92 . 1 1 23 23 LEU CG C 13 27.097 0.200 . 1 . . . A 102 LEU CG . 25801 1 93 . 1 1 23 23 LEU CD1 C 13 24.696 0.200 . 2 . . . A 102 LEU CD1 . 25801 1 94 . 1 1 23 23 LEU CD2 C 13 23.930 0.200 . 2 . . . A 102 LEU CD2 . 25801 1 95 . 1 1 23 23 LEU N N 15 125.664 0.200 . 1 . . . A 102 LEU N . 25801 1 96 . 1 1 24 24 LEU H H 1 8.747 0.020 . 1 . . . A 103 LEU H . 25801 1 97 . 1 1 24 24 LEU HA H 1 4.978 0.020 . 1 . . . A 103 LEU HA . 25801 1 98 . 1 1 24 24 LEU HB2 H 1 1.469 0.020 . 1 . . . A 103 LEU HB2 . 25801 1 99 . 1 1 24 24 LEU HB3 H 1 1.057 0.020 . 1 . . . A 103 LEU HB3 . 25801 1 100 . 1 1 24 24 LEU HG H 1 1.282 0.020 . 1 . . . A 103 LEU HG . 25801 1 101 . 1 1 24 24 LEU HD11 H 1 0.648 0.020 . 2 . . . A 103 LEU HD11 . 25801 1 102 . 1 1 24 24 LEU HD12 H 1 0.648 0.020 . 2 . . . A 103 LEU HD12 . 25801 1 103 . 1 1 24 24 LEU HD13 H 1 0.648 0.020 . 2 . . . A 103 LEU HD13 . 25801 1 104 . 1 1 24 24 LEU HD21 H 1 0.325 0.020 . 2 . . . A 103 LEU HD21 . 25801 1 105 . 1 1 24 24 LEU HD22 H 1 0.325 0.020 . 2 . . . A 103 LEU HD22 . 25801 1 106 . 1 1 24 24 LEU HD23 H 1 0.325 0.020 . 2 . . . A 103 LEU HD23 . 25801 1 107 . 1 1 24 24 LEU C C 13 176.426 0.200 . 1 . . . A 103 LEU C . 25801 1 108 . 1 1 24 24 LEU CA C 13 52.540 0.200 . 1 . . . A 103 LEU CA . 25801 1 109 . 1 1 24 24 LEU CB C 13 44.909 0.200 . 1 . . . A 103 LEU CB . 25801 1 110 . 1 1 24 24 LEU CG C 13 26.880 0.200 . 1 . . . A 103 LEU CG . 25801 1 111 . 1 1 24 24 LEU CD1 C 13 24.428 0.200 . 2 . . . A 103 LEU CD1 . 25801 1 112 . 1 1 24 24 LEU CD2 C 13 27.002 0.200 . 2 . . . A 103 LEU CD2 . 25801 1 113 . 1 1 24 24 LEU N N 15 125.678 0.200 . 1 . . . A 103 LEU N . 25801 1 114 . 1 1 25 25 THR H H 1 8.416 0.020 . 1 . . . A 104 THR H . 25801 1 115 . 1 1 25 25 THR HA H 1 4.417 0.020 . 1 . . . A 104 THR HA . 25801 1 116 . 1 1 25 25 THR HB H 1 3.802 0.020 . 1 . . . A 104 THR HB . 25801 1 117 . 1 1 25 25 THR HG21 H 1 0.879 0.020 . 1 . . . A 104 THR HG21 . 25801 1 118 . 1 1 25 25 THR HG22 H 1 0.879 0.020 . 1 . . . A 104 THR HG22 . 25801 1 119 . 1 1 25 25 THR HG23 H 1 0.879 0.020 . 1 . . . A 104 THR HG23 . 25801 1 120 . 1 1 25 25 THR C C 13 171.950 0.200 . 1 . . . A 104 THR C . 25801 1 121 . 1 1 25 25 THR CA C 13 62.365 0.200 . 1 . . . A 104 THR CA . 25801 1 122 . 1 1 25 25 THR CB C 13 69.608 0.200 . 1 . . . A 104 THR CB . 25801 1 123 . 1 1 25 25 THR CG2 C 13 21.267 0.200 . 1 . . . A 104 THR CG2 . 25801 1 124 . 1 1 25 25 THR N N 15 119.440 0.200 . 1 . . . A 104 THR N . 25801 1 125 . 1 1 26 26 VAL H H 1 8.956 0.020 . 1 . . . A 105 VAL H . 25801 1 126 . 1 1 26 26 VAL HA H 1 4.559 0.020 . 1 . . . A 105 VAL HA . 25801 1 127 . 1 1 26 26 VAL HB H 1 0.538 0.020 . 1 . . . A 105 VAL HB . 25801 1 128 . 1 1 26 26 VAL HG11 H 1 0.465 0.020 . 2 . . . A 105 VAL HG11 . 25801 1 129 . 1 1 26 26 VAL HG12 H 1 0.465 0.020 . 2 . . . A 105 VAL HG12 . 25801 1 130 . 1 1 26 26 VAL HG13 H 1 0.465 0.020 . 2 . . . A 105 VAL HG13 . 25801 1 131 . 1 1 26 26 VAL HG21 H 1 0.525 0.020 . 2 . . . A 105 VAL HG21 . 25801 1 132 . 1 1 26 26 VAL HG22 H 1 0.525 0.020 . 2 . . . A 105 VAL HG22 . 25801 1 133 . 1 1 26 26 VAL HG23 H 1 0.525 0.020 . 2 . . . A 105 VAL HG23 . 25801 1 134 . 1 1 26 26 VAL C C 13 174.685 0.200 . 1 . . . A 105 VAL C . 25801 1 135 . 1 1 26 26 VAL CA C 13 60.031 0.200 . 1 . . . A 105 VAL CA . 25801 1 136 . 1 1 26 26 VAL CB C 13 31.897 0.200 . 1 . . . A 105 VAL CB . 25801 1 137 . 1 1 26 26 VAL CG1 C 13 22.814 0.200 . 2 . . . A 105 VAL CG1 . 25801 1 138 . 1 1 26 26 VAL CG2 C 13 20.421 0.200 . 2 . . . A 105 VAL CG2 . 25801 1 139 . 1 1 26 26 VAL N N 15 127.426 0.200 . 1 . . . A 105 VAL N . 25801 1 140 . 1 1 27 27 TYR H H 1 8.693 0.020 . 1 . . . A 106 TYR H . 25801 1 141 . 1 1 27 27 TYR HA H 1 4.801 0.020 . 1 . . . A 106 TYR HA . 25801 1 142 . 1 1 27 27 TYR HB2 H 1 2.763 0.020 . 2 . . . A 106 TYR HB2 . 25801 1 143 . 1 1 27 27 TYR HB3 H 1 2.763 0.020 . 2 . . . A 106 TYR HB3 . 25801 1 144 . 1 1 27 27 TYR HD1 H 1 6.929 0.020 . 3 . . . A 106 TYR HD1 . 25801 1 145 . 1 1 27 27 TYR HD2 H 1 6.929 0.020 . 3 . . . A 106 TYR HD2 . 25801 1 146 . 1 1 27 27 TYR HE1 H 1 6.569 0.020 . 3 . . . A 106 TYR HE1 . 25801 1 147 . 1 1 27 27 TYR HE2 H 1 6.569 0.020 . 3 . . . A 106 TYR HE2 . 25801 1 148 . 1 1 27 27 TYR C C 13 174.460 0.200 . 1 . . . A 106 TYR C . 25801 1 149 . 1 1 27 27 TYR CA C 13 55.620 0.200 . 1 . . . A 106 TYR CA . 25801 1 150 . 1 1 27 27 TYR CB C 13 38.878 0.200 . 1 . . . A 106 TYR CB . 25801 1 151 . 1 1 27 27 TYR N N 15 127.513 0.200 . 1 . . . A 106 TYR N . 25801 1 152 . 1 1 28 28 CYS H H 1 8.931 0.020 . 1 . . . A 107 CYS H . 25801 1 153 . 1 1 28 28 CYS HA H 1 5.482 0.020 . 1 . . . A 107 CYS HA . 25801 1 154 . 1 1 28 28 CYS HB2 H 1 2.740 0.020 . 2 . . . A 107 CYS HB2 . 25801 1 155 . 1 1 28 28 CYS HB3 H 1 2.740 0.020 . 2 . . . A 107 CYS HB3 . 25801 1 156 . 1 1 28 28 CYS C C 13 174.009 0.200 . 1 . . . A 107 CYS C . 25801 1 157 . 1 1 28 28 CYS CA C 13 56.129 0.200 . 1 . . . A 107 CYS CA . 25801 1 158 . 1 1 28 28 CYS CB C 13 28.919 0.200 . 1 . . . A 107 CYS CB . 25801 1 159 . 1 1 28 28 CYS N N 15 124.214 0.200 . 1 . . . A 107 CYS N . 25801 1 160 . 1 1 29 29 VAL H H 1 8.619 0.020 . 1 . . . A 108 VAL H . 25801 1 161 . 1 1 29 29 VAL HA H 1 4.487 0.020 . 1 . . . A 108 VAL HA . 25801 1 162 . 1 1 29 29 VAL HB H 1 1.841 0.020 . 1 . . . A 108 VAL HB . 25801 1 163 . 1 1 29 29 VAL HG11 H 1 0.913 0.020 . 2 . . . A 108 VAL HG11 . 25801 1 164 . 1 1 29 29 VAL HG12 H 1 0.913 0.020 . 2 . . . A 108 VAL HG12 . 25801 1 165 . 1 1 29 29 VAL HG13 H 1 0.913 0.020 . 2 . . . A 108 VAL HG13 . 25801 1 166 . 1 1 29 29 VAL HG21 H 1 0.743 0.020 . 2 . . . A 108 VAL HG21 . 25801 1 167 . 1 1 29 29 VAL HG22 H 1 0.743 0.020 . 2 . . . A 108 VAL HG22 . 25801 1 168 . 1 1 29 29 VAL HG23 H 1 0.743 0.020 . 2 . . . A 108 VAL HG23 . 25801 1 169 . 1 1 29 29 VAL C C 13 176.608 0.200 . 1 . . . A 108 VAL C . 25801 1 170 . 1 1 29 29 VAL CA C 13 61.041 0.200 . 1 . . . A 108 VAL CA . 25801 1 171 . 1 1 29 29 VAL CB C 13 33.145 0.200 . 1 . . . A 108 VAL CB . 25801 1 172 . 1 1 29 29 VAL CG1 C 13 20.840 0.200 . 2 . . . A 108 VAL CG1 . 25801 1 173 . 1 1 29 29 VAL CG2 C 13 20.055 0.200 . 2 . . . A 108 VAL CG2 . 25801 1 174 . 1 1 29 29 VAL N N 15 127.025 0.200 . 1 . . . A 108 VAL N . 25801 1 175 . 1 1 30 30 ARG H H 1 8.626 0.020 . 1 . . . A 109 ARG H . 25801 1 176 . 1 1 30 30 ARG HA H 1 4.353 0.020 . 1 . . . A 109 ARG HA . 25801 1 177 . 1 1 30 30 ARG HB2 H 1 1.956 0.020 . 2 . . . A 109 ARG HB2 . 25801 1 178 . 1 1 30 30 ARG HB3 H 1 1.870 0.020 . 2 . . . A 109 ARG HB3 . 25801 1 179 . 1 1 30 30 ARG HG2 H 1 1.546 0.020 . 2 . . . A 109 ARG HG2 . 25801 1 180 . 1 1 30 30 ARG HG3 H 1 1.317 0.020 . 2 . . . A 109 ARG HG3 . 25801 1 181 . 1 1 30 30 ARG HD2 H 1 3.063 0.020 . 2 . . . A 109 ARG HD2 . 25801 1 182 . 1 1 30 30 ARG HD3 H 1 3.063 0.020 . 2 . . . A 109 ARG HD3 . 25801 1 183 . 1 1 30 30 ARG C C 13 178.919 0.200 . 1 . . . A 109 ARG C . 25801 1 184 . 1 1 30 30 ARG CA C 13 56.248 0.200 . 1 . . . A 109 ARG CA . 25801 1 185 . 1 1 30 30 ARG CB C 13 31.000 0.200 . 1 . . . A 109 ARG CB . 25801 1 186 . 1 1 30 30 ARG CG C 13 29.013 0.200 . 1 . . . A 109 ARG CG . 25801 1 187 . 1 1 30 30 ARG CD C 13 43.038 0.200 . 1 . . . A 109 ARG CD . 25801 1 188 . 1 1 30 30 ARG N N 15 124.574 0.200 . 1 . . . A 109 ARG N . 25801 1 189 . 1 1 31 31 ARG H H 1 8.600 0.020 . 1 . . . A 110 ARG H . 25801 1 190 . 1 1 31 31 ARG HA H 1 3.975 0.020 . 1 . . . A 110 ARG HA . 25801 1 191 . 1 1 31 31 ARG HB2 H 1 1.636 0.020 . 2 . . . A 110 ARG HB2 . 25801 1 192 . 1 1 31 31 ARG HB3 H 1 1.636 0.020 . 2 . . . A 110 ARG HB3 . 25801 1 193 . 1 1 31 31 ARG HG2 H 1 1.538 0.020 . 2 . . . A 110 ARG HG2 . 25801 1 194 . 1 1 31 31 ARG HG3 H 1 1.538 0.020 . 2 . . . A 110 ARG HG3 . 25801 1 195 . 1 1 31 31 ARG HD2 H 1 3.104 0.020 . 2 . . . A 110 ARG HD2 . 25801 1 196 . 1 1 31 31 ARG HD3 H 1 3.104 0.020 . 2 . . . A 110 ARG HD3 . 25801 1 197 . 1 1 31 31 ARG C C 13 176.883 0.200 . 1 . . . A 110 ARG C . 25801 1 198 . 1 1 31 31 ARG CA C 13 58.415 0.200 . 1 . . . A 110 ARG CA . 25801 1 199 . 1 1 31 31 ARG CB C 13 29.350 0.200 . 1 . . . A 110 ARG CB . 25801 1 200 . 1 1 31 31 ARG CG C 13 26.927 0.200 . 1 . . . A 110 ARG CG . 25801 1 201 . 1 1 31 31 ARG CD C 13 42.686 0.200 . 1 . . . A 110 ARG CD . 25801 1 202 . 1 1 31 31 ARG N N 15 121.981 0.200 . 1 . . . A 110 ARG N . 25801 1 203 . 1 1 32 32 ASP H H 1 7.618 0.020 . 1 . . . A 111 ASP H . 25801 1 204 . 1 1 32 32 ASP HA H 1 4.328 0.020 . 1 . . . A 111 ASP HA . 25801 1 205 . 1 1 32 32 ASP HB2 H 1 2.434 0.020 . 2 . . . A 111 ASP HB2 . 25801 1 206 . 1 1 32 32 ASP HB3 H 1 2.990 0.020 . 2 . . . A 111 ASP HB3 . 25801 1 207 . 1 1 32 32 ASP C C 13 176.670 0.200 . 1 . . . A 111 ASP C . 25801 1 208 . 1 1 32 32 ASP CA C 13 53.132 0.200 . 1 . . . A 111 ASP CA . 25801 1 209 . 1 1 32 32 ASP CB C 13 39.193 0.200 . 1 . . . A 111 ASP CB . 25801 1 210 . 1 1 32 32 ASP N N 15 115.829 0.200 . 1 . . . A 111 ASP N . 25801 1 211 . 1 1 33 33 LEU H H 1 8.031 0.020 . 1 . . . A 112 LEU H . 25801 1 212 . 1 1 33 33 LEU HA H 1 3.784 0.020 . 1 . . . A 112 LEU HA . 25801 1 213 . 1 1 33 33 LEU HB2 H 1 2.208 0.020 . 2 . . . A 112 LEU HB2 . 25801 1 214 . 1 1 33 33 LEU HB3 H 1 1.491 0.020 . 2 . . . A 112 LEU HB3 . 25801 1 215 . 1 1 33 33 LEU HG H 1 1.404 0.020 . 1 . . . A 112 LEU HG . 25801 1 216 . 1 1 33 33 LEU HD11 H 1 0.806 0.020 . 2 . . . A 112 LEU HD11 . 25801 1 217 . 1 1 33 33 LEU HD12 H 1 0.806 0.020 . 2 . . . A 112 LEU HD12 . 25801 1 218 . 1 1 33 33 LEU HD13 H 1 0.806 0.020 . 2 . . . A 112 LEU HD13 . 25801 1 219 . 1 1 33 33 LEU HD21 H 1 0.763 0.020 . 2 . . . A 112 LEU HD21 . 25801 1 220 . 1 1 33 33 LEU HD22 H 1 0.763 0.020 . 2 . . . A 112 LEU HD22 . 25801 1 221 . 1 1 33 33 LEU HD23 H 1 0.763 0.020 . 2 . . . A 112 LEU HD23 . 25801 1 222 . 1 1 33 33 LEU C C 13 177.162 0.200 . 1 . . . A 112 LEU C . 25801 1 223 . 1 1 33 33 LEU CA C 13 56.737 0.200 . 1 . . . A 112 LEU CA . 25801 1 224 . 1 1 33 33 LEU CB C 13 38.223 0.200 . 1 . . . A 112 LEU CB . 25801 1 225 . 1 1 33 33 LEU CG C 13 26.921 0.200 . 1 . . . A 112 LEU CG . 25801 1 226 . 1 1 33 33 LEU CD1 C 13 24.766 0.200 . 2 . . . A 112 LEU CD1 . 25801 1 227 . 1 1 33 33 LEU CD2 C 13 22.384 0.200 . 2 . . . A 112 LEU CD2 . 25801 1 228 . 1 1 33 33 LEU N N 15 113.260 0.200 . 1 . . . A 112 LEU N . 25801 1 229 . 1 1 34 34 SER H H 1 8.226 0.020 . 1 . . . A 113 SER H . 25801 1 230 . 1 1 34 34 SER HA H 1 4.267 0.020 . 1 . . . A 113 SER HA . 25801 1 231 . 1 1 34 34 SER HB2 H 1 3.870 0.020 . 2 . . . A 113 SER HB2 . 25801 1 232 . 1 1 34 34 SER HB3 H 1 3.870 0.020 . 2 . . . A 113 SER HB3 . 25801 1 233 . 1 1 34 34 SER C C 13 173.074 0.200 . 1 . . . A 113 SER C . 25801 1 234 . 1 1 34 34 SER CA C 13 58.927 0.200 . 1 . . . A 113 SER CA . 25801 1 235 . 1 1 34 34 SER CB C 13 63.590 0.200 . 1 . . . A 113 SER CB . 25801 1 236 . 1 1 34 34 SER N N 15 116.989 0.200 . 1 . . . A 113 SER N . 25801 1 237 . 1 1 35 35 GLU H H 1 8.278 0.020 . 1 . . . A 114 GLU H . 25801 1 238 . 1 1 35 35 GLU HA H 1 5.445 0.020 . 1 . . . A 114 GLU HA . 25801 1 239 . 1 1 35 35 GLU HB2 H 1 1.966 0.020 . 2 . . . A 114 GLU HB2 . 25801 1 240 . 1 1 35 35 GLU HB3 H 1 1.815 0.020 . 2 . . . A 114 GLU HB3 . 25801 1 241 . 1 1 35 35 GLU HG2 H 1 2.257 0.020 . 2 . . . A 114 GLU HG2 . 25801 1 242 . 1 1 35 35 GLU HG3 H 1 2.155 0.020 . 2 . . . A 114 GLU HG3 . 25801 1 243 . 1 1 35 35 GLU C C 13 176.914 0.200 . 1 . . . A 114 GLU C . 25801 1 244 . 1 1 35 35 GLU CA C 13 54.456 0.200 . 1 . . . A 114 GLU CA . 25801 1 245 . 1 1 35 35 GLU CB C 13 33.419 0.200 . 1 . . . A 114 GLU CB . 25801 1 246 . 1 1 35 35 GLU CG C 13 36.279 0.200 . 1 . . . A 114 GLU CG . 25801 1 247 . 1 1 35 35 GLU N N 15 118.423 0.200 . 1 . . . A 114 GLU N . 25801 1 248 . 1 1 36 36 VAL H H 1 8.591 0.020 . 1 . . . A 115 VAL H . 25801 1 249 . 1 1 36 36 VAL HA H 1 4.476 0.020 . 1 . . . A 115 VAL HA . 25801 1 250 . 1 1 36 36 VAL HB H 1 2.042 0.020 . 1 . . . A 115 VAL HB . 25801 1 251 . 1 1 36 36 VAL HG11 H 1 0.934 0.020 . 2 . . . A 115 VAL HG11 . 25801 1 252 . 1 1 36 36 VAL HG12 H 1 0.934 0.020 . 2 . . . A 115 VAL HG12 . 25801 1 253 . 1 1 36 36 VAL HG13 H 1 0.934 0.020 . 2 . . . A 115 VAL HG13 . 25801 1 254 . 1 1 36 36 VAL HG21 H 1 0.913 0.020 . 2 . . . A 115 VAL HG21 . 25801 1 255 . 1 1 36 36 VAL HG22 H 1 0.913 0.020 . 2 . . . A 115 VAL HG22 . 25801 1 256 . 1 1 36 36 VAL HG23 H 1 0.913 0.020 . 2 . . . A 115 VAL HG23 . 25801 1 257 . 1 1 36 36 VAL C C 13 173.316 0.200 . 1 . . . A 115 VAL C . 25801 1 258 . 1 1 36 36 VAL CA C 13 60.669 0.200 . 1 . . . A 115 VAL CA . 25801 1 259 . 1 1 36 36 VAL CB C 13 35.186 0.200 . 1 . . . A 115 VAL CB . 25801 1 260 . 1 1 36 36 VAL CG1 C 13 20.419 0.200 . 2 . . . A 115 VAL CG1 . 25801 1 261 . 1 1 36 36 VAL CG2 C 13 20.163 0.200 . 2 . . . A 115 VAL CG2 . 25801 1 262 . 1 1 36 36 VAL N N 15 120.536 0.200 . 1 . . . A 115 VAL N . 25801 1 263 . 1 1 37 37 THR H H 1 8.286 0.020 . 1 . . . A 116 THR H . 25801 1 264 . 1 1 37 37 THR HA H 1 5.472 0.020 . 1 . . . A 116 THR HA . 25801 1 265 . 1 1 37 37 THR HB H 1 3.717 0.020 . 1 . . . A 116 THR HB . 25801 1 266 . 1 1 37 37 THR HG21 H 1 0.838 0.020 . 1 . . . A 116 THR HG21 . 25801 1 267 . 1 1 37 37 THR HG22 H 1 0.838 0.020 . 1 . . . A 116 THR HG22 . 25801 1 268 . 1 1 37 37 THR HG23 H 1 0.838 0.020 . 1 . . . A 116 THR HG23 . 25801 1 269 . 1 1 37 37 THR C C 13 173.805 0.200 . 1 . . . A 116 THR C . 25801 1 270 . 1 1 37 37 THR CA C 13 59.714 0.200 . 1 . . . A 116 THR CA . 25801 1 271 . 1 1 37 37 THR CB C 13 70.772 0.200 . 1 . . . A 116 THR CB . 25801 1 272 . 1 1 37 37 THR CG2 C 13 20.341 0.200 . 1 . . . A 116 THR CG2 . 25801 1 273 . 1 1 37 37 THR N N 15 120.039 0.200 . 1 . . . A 116 THR N . 25801 1 274 . 1 1 38 38 PHE H H 1 8.370 0.020 . 1 . . . A 117 PHE H . 25801 1 275 . 1 1 38 38 PHE HA H 1 4.894 0.020 . 1 . . . A 117 PHE HA . 25801 1 276 . 1 1 38 38 PHE HB2 H 1 3.044 0.020 . 2 . . . A 117 PHE HB2 . 25801 1 277 . 1 1 38 38 PHE HB3 H 1 3.130 0.020 . 2 . . . A 117 PHE HB3 . 25801 1 278 . 1 1 38 38 PHE HD1 H 1 6.766 0.020 . 3 . . . A 117 PHE HD1 . 25801 1 279 . 1 1 38 38 PHE HD2 H 1 6.766 0.020 . 3 . . . A 117 PHE HD2 . 25801 1 280 . 1 1 38 38 PHE HE1 H 1 6.893 0.020 . 3 . . . A 117 PHE HE1 . 25801 1 281 . 1 1 38 38 PHE HE2 H 1 6.893 0.020 . 3 . . . A 117 PHE HE2 . 25801 1 282 . 1 1 38 38 PHE HZ H 1 6.830 0.020 . 1 . . . A 117 PHE HZ . 25801 1 283 . 1 1 38 38 PHE C C 13 172.895 0.200 . 1 . . . A 117 PHE C . 25801 1 284 . 1 1 38 38 PHE CA C 13 55.477 0.200 . 1 . . . A 117 PHE CA . 25801 1 285 . 1 1 38 38 PHE CB C 13 40.117 0.200 . 1 . . . A 117 PHE CB . 25801 1 286 . 1 1 38 38 PHE N N 15 121.867 0.200 . 1 . . . A 117 PHE N . 25801 1 287 . 1 1 39 39 SER H H 1 8.637 0.020 . 1 . . . A 118 SER H . 25801 1 288 . 1 1 39 39 SER HA H 1 5.466 0.020 . 1 . . . A 118 SER HA . 25801 1 289 . 1 1 39 39 SER HB2 H 1 3.599 0.020 . 2 . . . A 118 SER HB2 . 25801 1 290 . 1 1 39 39 SER HB3 H 1 3.666 0.020 . 2 . . . A 118 SER HB3 . 25801 1 291 . 1 1 39 39 SER C C 13 173.624 0.200 . 1 . . . A 118 SER C . 25801 1 292 . 1 1 39 39 SER CA C 13 56.619 0.200 . 1 . . . A 118 SER CA . 25801 1 293 . 1 1 39 39 SER CB C 13 65.014 0.200 . 1 . . . A 118 SER CB . 25801 1 294 . 1 1 39 39 SER N N 15 114.737 0.200 . 1 . . . A 118 SER N . 25801 1 295 . 1 1 40 40 LEU H H 1 9.007 0.020 . 1 . . . A 119 LEU H . 25801 1 296 . 1 1 40 40 LEU HA H 1 4.697 0.020 . 1 . . . A 119 LEU HA . 25801 1 297 . 1 1 40 40 LEU HB2 H 1 1.425 0.020 . 2 . . . A 119 LEU HB2 . 25801 1 298 . 1 1 40 40 LEU HB3 H 1 1.488 0.020 . 2 . . . A 119 LEU HB3 . 25801 1 299 . 1 1 40 40 LEU HG H 1 1.539 0.020 . 1 . . . A 119 LEU HG . 25801 1 300 . 1 1 40 40 LEU HD11 H 1 0.876 0.020 . 2 . . . A 119 LEU HD11 . 25801 1 301 . 1 1 40 40 LEU HD12 H 1 0.876 0.020 . 2 . . . A 119 LEU HD12 . 25801 1 302 . 1 1 40 40 LEU HD13 H 1 0.876 0.020 . 2 . . . A 119 LEU HD13 . 25801 1 303 . 1 1 40 40 LEU HD21 H 1 0.782 0.020 . 2 . . . A 119 LEU HD21 . 25801 1 304 . 1 1 40 40 LEU HD22 H 1 0.782 0.020 . 2 . . . A 119 LEU HD22 . 25801 1 305 . 1 1 40 40 LEU HD23 H 1 0.782 0.020 . 2 . . . A 119 LEU HD23 . 25801 1 306 . 1 1 40 40 LEU C C 13 174.640 0.200 . 1 . . . A 119 LEU C . 25801 1 307 . 1 1 40 40 LEU CA C 13 53.535 0.200 . 1 . . . A 119 LEU CA . 25801 1 308 . 1 1 40 40 LEU CB C 13 46.771 0.200 . 1 . . . A 119 LEU CB . 25801 1 309 . 1 1 40 40 LEU CG C 13 26.861 0.200 . 1 . . . A 119 LEU CG . 25801 1 310 . 1 1 40 40 LEU CD1 C 13 24.791 0.200 . 2 . . . A 119 LEU CD1 . 25801 1 311 . 1 1 40 40 LEU CD2 C 13 26.914 0.200 . 2 . . . A 119 LEU CD2 . 25801 1 312 . 1 1 40 40 LEU N N 15 123.080 0.200 . 1 . . . A 119 LEU N . 25801 1 313 . 1 1 41 41 GLN H H 1 8.479 0.020 . 1 . . . A 120 GLN H . 25801 1 314 . 1 1 41 41 GLN HA H 1 5.006 0.020 . 1 . . . A 120 GLN HA . 25801 1 315 . 1 1 41 41 GLN HB2 H 1 1.813 0.020 . 2 . . . A 120 GLN HB2 . 25801 1 316 . 1 1 41 41 GLN HB3 H 1 1.727 0.020 . 2 . . . A 120 GLN HB3 . 25801 1 317 . 1 1 41 41 GLN HG2 H 1 1.973 0.020 . 2 . . . A 120 GLN HG2 . 25801 1 318 . 1 1 41 41 GLN HG3 H 1 1.973 0.020 . 2 . . . A 120 GLN HG3 . 25801 1 319 . 1 1 41 41 GLN HE21 H 1 7.168 0.020 . 2 . . . A 120 GLN HE21 . 25801 1 320 . 1 1 41 41 GLN HE22 H 1 6.573 0.020 . 2 . . . A 120 GLN HE22 . 25801 1 321 . 1 1 41 41 GLN C C 13 175.709 0.200 . 1 . . . A 120 GLN C . 25801 1 322 . 1 1 41 41 GLN CA C 13 54.483 0.200 . 1 . . . A 120 GLN CA . 25801 1 323 . 1 1 41 41 GLN CB C 13 29.297 0.200 . 1 . . . A 120 GLN CB . 25801 1 324 . 1 1 41 41 GLN CG C 13 33.947 0.200 . 1 . . . A 120 GLN CG . 25801 1 325 . 1 1 41 41 GLN N N 15 123.739 0.200 . 1 . . . A 120 GLN N . 25801 1 326 . 1 1 41 41 GLN NE2 N 15 111.281 0.200 . 1 . . . A 120 GLN NE2 . 25801 1 327 . 1 1 42 42 VAL H H 1 8.846 0.020 . 1 . . . A 121 VAL H . 25801 1 328 . 1 1 42 42 VAL HA H 1 4.382 0.020 . 1 . . . A 121 VAL HA . 25801 1 329 . 1 1 42 42 VAL HB H 1 1.615 0.020 . 1 . . . A 121 VAL HB . 25801 1 330 . 1 1 42 42 VAL HG11 H 1 0.713 0.020 . 2 . . . A 121 VAL HG11 . 25801 1 331 . 1 1 42 42 VAL HG12 H 1 0.713 0.020 . 2 . . . A 121 VAL HG12 . 25801 1 332 . 1 1 42 42 VAL HG13 H 1 0.713 0.020 . 2 . . . A 121 VAL HG13 . 25801 1 333 . 1 1 42 42 VAL HG21 H 1 0.500 0.020 . 2 . . . A 121 VAL HG21 . 25801 1 334 . 1 1 42 42 VAL HG22 H 1 0.500 0.020 . 2 . . . A 121 VAL HG22 . 25801 1 335 . 1 1 42 42 VAL HG23 H 1 0.500 0.020 . 2 . . . A 121 VAL HG23 . 25801 1 336 . 1 1 42 42 VAL C C 13 173.572 0.200 . 1 . . . A 121 VAL C . 25801 1 337 . 1 1 42 42 VAL CA C 13 58.134 0.200 . 1 . . . A 121 VAL CA . 25801 1 338 . 1 1 42 42 VAL CB C 13 35.283 0.200 . 1 . . . A 121 VAL CB . 25801 1 339 . 1 1 42 42 VAL CG1 C 13 21.766 0.200 . 2 . . . A 121 VAL CG1 . 25801 1 340 . 1 1 42 42 VAL CG2 C 13 19.131 0.200 . 2 . . . A 121 VAL CG2 . 25801 1 341 . 1 1 42 42 VAL N N 15 118.873 0.200 . 1 . . . A 121 VAL N . 25801 1 342 . 1 1 43 43 ASP H H 1 6.289 0.020 . 1 . . . A 122 ASP H . 25801 1 343 . 1 1 43 43 ASP HA H 1 4.466 0.020 . 1 . . . A 122 ASP HA . 25801 1 344 . 1 1 43 43 ASP HB2 H 1 2.120 0.020 . 2 . . . A 122 ASP HB2 . 25801 1 345 . 1 1 43 43 ASP HB3 H 1 1.991 0.020 . 2 . . . A 122 ASP HB3 . 25801 1 346 . 1 1 43 43 ASP C C 13 176.911 0.200 . 1 . . . A 122 ASP C . 25801 1 347 . 1 1 43 43 ASP CA C 13 52.878 0.200 . 1 . . . A 122 ASP CA . 25801 1 348 . 1 1 43 43 ASP CB C 13 41.943 0.200 . 1 . . . A 122 ASP CB . 25801 1 349 . 1 1 43 43 ASP N N 15 121.269 0.200 . 1 . . . A 122 ASP N . 25801 1 350 . 1 1 44 44 ALA H H 1 8.468 0.020 . 1 . . . A 123 ALA H . 25801 1 351 . 1 1 44 44 ALA HA H 1 3.777 0.020 . 1 . . . A 123 ALA HA . 25801 1 352 . 1 1 44 44 ALA HB1 H 1 1.246 0.020 . 1 . . . A 123 ALA HB1 . 25801 1 353 . 1 1 44 44 ALA HB2 H 1 1.246 0.020 . 1 . . . A 123 ALA HB2 . 25801 1 354 . 1 1 44 44 ALA HB3 H 1 1.246 0.020 . 1 . . . A 123 ALA HB3 . 25801 1 355 . 1 1 44 44 ALA C C 13 177.018 0.200 . 1 . . . A 123 ALA C . 25801 1 356 . 1 1 44 44 ALA CA C 13 54.607 0.200 . 1 . . . A 123 ALA CA . 25801 1 357 . 1 1 44 44 ALA CB C 13 18.923 0.200 . 1 . . . A 123 ALA CB . 25801 1 358 . 1 1 44 44 ALA N N 15 126.066 0.200 . 1 . . . A 123 ALA N . 25801 1 359 . 1 1 45 45 ASP H H 1 8.342 0.020 . 1 . . . A 124 ASP H . 25801 1 360 . 1 1 45 45 ASP HA H 1 4.662 0.020 . 1 . . . A 124 ASP HA . 25801 1 361 . 1 1 45 45 ASP HB2 H 1 2.694 0.020 . 2 . . . A 124 ASP HB2 . 25801 1 362 . 1 1 45 45 ASP HB3 H 1 2.588 0.020 . 2 . . . A 124 ASP HB3 . 25801 1 363 . 1 1 45 45 ASP C C 13 177.275 0.200 . 1 . . . A 124 ASP C . 25801 1 364 . 1 1 45 45 ASP CA C 13 53.813 0.200 . 1 . . . A 124 ASP CA . 25801 1 365 . 1 1 45 45 ASP CB C 13 40.198 0.200 . 1 . . . A 124 ASP CB . 25801 1 366 . 1 1 45 45 ASP N N 15 112.700 0.200 . 1 . . . A 124 ASP N . 25801 1 367 . 1 1 46 46 PHE H H 1 7.806 0.020 . 1 . . . A 125 PHE H . 25801 1 368 . 1 1 46 46 PHE HA H 1 4.511 0.020 . 1 . . . A 125 PHE HA . 25801 1 369 . 1 1 46 46 PHE HB2 H 1 2.899 0.020 . 2 . . . A 125 PHE HB2 . 25801 1 370 . 1 1 46 46 PHE HB3 H 1 3.485 0.020 . 2 . . . A 125 PHE HB3 . 25801 1 371 . 1 1 46 46 PHE HD1 H 1 7.128 0.020 . 3 . . . A 125 PHE HD1 . 25801 1 372 . 1 1 46 46 PHE HD2 H 1 7.128 0.020 . 3 . . . A 125 PHE HD2 . 25801 1 373 . 1 1 46 46 PHE HE1 H 1 7.389 0.020 . 3 . . . A 125 PHE HE1 . 25801 1 374 . 1 1 46 46 PHE HE2 H 1 7.389 0.020 . 3 . . . A 125 PHE HE2 . 25801 1 375 . 1 1 46 46 PHE HZ H 1 7.328 0.020 . 1 . . . A 125 PHE HZ . 25801 1 376 . 1 1 46 46 PHE C C 13 176.641 0.200 . 1 . . . A 125 PHE C . 25801 1 377 . 1 1 46 46 PHE CA C 13 56.208 0.200 . 1 . . . A 125 PHE CA . 25801 1 378 . 1 1 46 46 PHE CB C 13 38.709 0.200 . 1 . . . A 125 PHE CB . 25801 1 379 . 1 1 46 46 PHE N N 15 121.605 0.200 . 1 . . . A 125 PHE N . 25801 1 380 . 1 1 47 47 GLU H H 1 8.452 0.020 . 1 . . . A 126 GLU H . 25801 1 381 . 1 1 47 47 GLU HA H 1 4.217 0.020 . 1 . . . A 126 GLU HA . 25801 1 382 . 1 1 47 47 GLU HB2 H 1 2.255 0.020 . 2 . . . A 126 GLU HB2 . 25801 1 383 . 1 1 47 47 GLU HB3 H 1 1.653 0.020 . 2 . . . A 126 GLU HB3 . 25801 1 384 . 1 1 47 47 GLU HG2 H 1 2.387 0.020 . 2 . . . A 126 GLU HG2 . 25801 1 385 . 1 1 47 47 GLU HG3 H 1 2.131 0.020 . 2 . . . A 126 GLU HG3 . 25801 1 386 . 1 1 47 47 GLU C C 13 179.341 0.200 . 1 . . . A 126 GLU C . 25801 1 387 . 1 1 47 47 GLU CA C 13 55.994 0.200 . 1 . . . A 126 GLU CA . 25801 1 388 . 1 1 47 47 GLU CB C 13 30.893 0.200 . 1 . . . A 126 GLU CB . 25801 1 389 . 1 1 47 47 GLU CG C 13 36.894 0.200 . 1 . . . A 126 GLU CG . 25801 1 390 . 1 1 47 47 GLU N N 15 120.745 0.200 . 1 . . . A 126 GLU N . 25801 1 391 . 1 1 48 48 LEU H H 1 8.395 0.020 . 1 . . . A 127 LEU H . 25801 1 392 . 1 1 48 48 LEU HA H 1 4.004 0.020 . 1 . . . A 127 LEU HA . 25801 1 393 . 1 1 48 48 LEU HB2 H 1 2.256 0.020 . 2 . . . A 127 LEU HB2 . 25801 1 394 . 1 1 48 48 LEU HB3 H 1 1.634 0.020 . 2 . . . A 127 LEU HB3 . 25801 1 395 . 1 1 48 48 LEU HG H 1 1.647 0.020 . 1 . . . A 127 LEU HG . 25801 1 396 . 1 1 48 48 LEU HD11 H 1 0.781 0.020 . 2 . . . A 127 LEU HD11 . 25801 1 397 . 1 1 48 48 LEU HD12 H 1 0.781 0.020 . 2 . . . A 127 LEU HD12 . 25801 1 398 . 1 1 48 48 LEU HD13 H 1 0.781 0.020 . 2 . . . A 127 LEU HD13 . 25801 1 399 . 1 1 48 48 LEU HD21 H 1 0.641 0.020 . 2 . . . A 127 LEU HD21 . 25801 1 400 . 1 1 48 48 LEU HD22 H 1 0.641 0.020 . 2 . . . A 127 LEU HD22 . 25801 1 401 . 1 1 48 48 LEU HD23 H 1 0.641 0.020 . 2 . . . A 127 LEU HD23 . 25801 1 402 . 1 1 48 48 LEU C C 13 179.438 0.200 . 1 . . . A 127 LEU C . 25801 1 403 . 1 1 48 48 LEU CA C 13 58.474 0.200 . 1 . . . A 127 LEU CA . 25801 1 404 . 1 1 48 48 LEU CB C 13 43.065 0.200 . 1 . . . A 127 LEU CB . 25801 1 405 . 1 1 48 48 LEU CG C 13 26.878 0.200 . 1 . . . A 127 LEU CG . 25801 1 406 . 1 1 48 48 LEU CD1 C 13 23.713 0.200 . 2 . . . A 127 LEU CD1 . 25801 1 407 . 1 1 48 48 LEU CD2 C 13 25.603 0.200 . 2 . . . A 127 LEU CD2 . 25801 1 408 . 1 1 48 48 LEU N N 15 123.653 0.200 . 1 . . . A 127 LEU N . 25801 1 409 . 1 1 49 49 HIS H H 1 8.911 0.020 . 1 . . . A 128 HIS H . 25801 1 410 . 1 1 49 49 HIS HA H 1 4.001 0.020 . 1 . . . A 128 HIS HA . 25801 1 411 . 1 1 49 49 HIS HB2 H 1 2.819 0.020 . 2 . . . A 128 HIS HB2 . 25801 1 412 . 1 1 49 49 HIS HB3 H 1 3.020 0.020 . 2 . . . A 128 HIS HB3 . 25801 1 413 . 1 1 49 49 HIS HD2 H 1 6.801 0.020 . 1 . . . A 128 HIS HD2 . 25801 1 414 . 1 1 49 49 HIS HE1 H 1 7.780 0.020 . 1 . . . A 128 HIS HE1 . 25801 1 415 . 1 1 49 49 HIS C C 13 177.697 0.200 . 1 . . . A 128 HIS C . 25801 1 416 . 1 1 49 49 HIS CA C 13 59.863 0.200 . 1 . . . A 128 HIS CA . 25801 1 417 . 1 1 49 49 HIS CB C 13 29.995 0.200 . 1 . . . A 128 HIS CB . 25801 1 418 . 1 1 49 49 HIS N N 15 116.073 0.200 . 1 . . . A 128 HIS N . 25801 1 419 . 1 1 50 50 ASN H H 1 6.621 0.020 . 1 . . . A 129 ASN H . 25801 1 420 . 1 1 50 50 ASN HA H 1 4.298 0.020 . 1 . . . A 129 ASN HA . 25801 1 421 . 1 1 50 50 ASN HB2 H 1 2.032 0.020 . 2 . . . A 129 ASN HB2 . 25801 1 422 . 1 1 50 50 ASN HB3 H 1 2.175 0.020 . 2 . . . A 129 ASN HB3 . 25801 1 423 . 1 1 50 50 ASN HD21 H 1 6.985 0.020 . 2 . . . A 129 ASN HD21 . 25801 1 424 . 1 1 50 50 ASN HD22 H 1 6.727 0.020 . 2 . . . A 129 ASN HD22 . 25801 1 425 . 1 1 50 50 ASN C C 13 177.857 0.200 . 1 . . . A 129 ASN C . 25801 1 426 . 1 1 50 50 ASN CA C 13 55.210 0.200 . 1 . . . A 129 ASN CA . 25801 1 427 . 1 1 50 50 ASN CB C 13 38.223 0.200 . 1 . . . A 129 ASN CB . 25801 1 428 . 1 1 50 50 ASN N N 15 118.835 0.200 . 1 . . . A 129 ASN N . 25801 1 429 . 1 1 50 50 ASN ND2 N 15 111.170 0.200 . 1 . . . A 129 ASN ND2 . 25801 1 430 . 1 1 51 51 PHE H H 1 7.787 0.020 . 1 . . . A 130 PHE H . 25801 1 431 . 1 1 51 51 PHE HA H 1 4.265 0.020 . 1 . . . A 130 PHE HA . 25801 1 432 . 1 1 51 51 PHE HB2 H 1 3.034 0.020 . 2 . . . A 130 PHE HB2 . 25801 1 433 . 1 1 51 51 PHE HB3 H 1 3.361 0.020 . 2 . . . A 130 PHE HB3 . 25801 1 434 . 1 1 51 51 PHE HD1 H 1 6.925 0.020 . 3 . . . A 130 PHE HD1 . 25801 1 435 . 1 1 51 51 PHE HD2 H 1 6.925 0.020 . 3 . . . A 130 PHE HD2 . 25801 1 436 . 1 1 51 51 PHE HE1 H 1 6.721 0.020 . 3 . . . A 130 PHE HE1 . 25801 1 437 . 1 1 51 51 PHE HE2 H 1 6.721 0.020 . 3 . . . A 130 PHE HE2 . 25801 1 438 . 1 1 51 51 PHE HZ H 1 6.883 0.020 . 1 . . . A 130 PHE HZ . 25801 1 439 . 1 1 51 51 PHE C C 13 177.165 0.200 . 1 . . . A 130 PHE C . 25801 1 440 . 1 1 51 51 PHE CA C 13 61.025 0.200 . 1 . . . A 130 PHE CA . 25801 1 441 . 1 1 51 51 PHE CB C 13 39.731 0.200 . 1 . . . A 130 PHE CB . 25801 1 442 . 1 1 51 51 PHE N N 15 121.265 0.200 . 1 . . . A 130 PHE N . 25801 1 443 . 1 1 52 52 ARG H H 1 8.896 0.020 . 1 . . . A 131 ARG H . 25801 1 444 . 1 1 52 52 ARG HA H 1 3.468 0.020 . 1 . . . A 131 ARG HA . 25801 1 445 . 1 1 52 52 ARG HB2 H 1 1.813 0.020 . 2 . . . A 131 ARG HB2 . 25801 1 446 . 1 1 52 52 ARG HB3 H 1 1.703 0.020 . 2 . . . A 131 ARG HB3 . 25801 1 447 . 1 1 52 52 ARG HG2 H 1 1.708 0.020 . 2 . . . A 131 ARG HG2 . 25801 1 448 . 1 1 52 52 ARG HG3 H 1 1.425 0.020 . 2 . . . A 131 ARG HG3 . 25801 1 449 . 1 1 52 52 ARG HD2 H 1 3.269 0.020 . 2 . . . A 131 ARG HD2 . 25801 1 450 . 1 1 52 52 ARG HD3 H 1 3.045 0.020 . 2 . . . A 131 ARG HD3 . 25801 1 451 . 1 1 52 52 ARG C C 13 178.925 0.200 . 1 . . . A 131 ARG C . 25801 1 452 . 1 1 52 52 ARG CA C 13 59.998 0.200 . 1 . . . A 131 ARG CA . 25801 1 453 . 1 1 52 52 ARG CB C 13 30.125 0.200 . 1 . . . A 131 ARG CB . 25801 1 454 . 1 1 52 52 ARG CG C 13 27.906 0.200 . 1 . . . A 131 ARG CG . 25801 1 455 . 1 1 52 52 ARG CD C 13 42.960 0.200 . 1 . . . A 131 ARG CD . 25801 1 456 . 1 1 52 52 ARG N N 15 119.461 0.200 . 1 . . . A 131 ARG N . 25801 1 457 . 1 1 53 53 ALA H H 1 7.396 0.020 . 1 . . . A 132 ALA H . 25801 1 458 . 1 1 53 53 ALA HA H 1 4.075 0.020 . 1 . . . A 132 ALA HA . 25801 1 459 . 1 1 53 53 ALA HB1 H 1 1.422 0.020 . 1 . . . A 132 ALA HB1 . 25801 1 460 . 1 1 53 53 ALA HB2 H 1 1.422 0.020 . 1 . . . A 132 ALA HB2 . 25801 1 461 . 1 1 53 53 ALA HB3 H 1 1.422 0.020 . 1 . . . A 132 ALA HB3 . 25801 1 462 . 1 1 53 53 ALA C C 13 180.711 0.200 . 1 . . . A 132 ALA C . 25801 1 463 . 1 1 53 53 ALA CA C 13 54.921 0.200 . 1 . . . A 132 ALA CA . 25801 1 464 . 1 1 53 53 ALA CB C 13 17.632 0.200 . 1 . . . A 132 ALA CB . 25801 1 465 . 1 1 53 53 ALA N N 15 121.581 0.200 . 1 . . . A 132 ALA N . 25801 1 466 . 1 1 54 54 LEU H H 1 7.583 0.020 . 1 . . . A 133 LEU H . 25801 1 467 . 1 1 54 54 LEU HA H 1 4.048 0.020 . 1 . . . A 133 LEU HA . 25801 1 468 . 1 1 54 54 LEU HB2 H 1 1.572 0.020 . 2 . . . A 133 LEU HB2 . 25801 1 469 . 1 1 54 54 LEU HB3 H 1 1.798 0.020 . 2 . . . A 133 LEU HB3 . 25801 1 470 . 1 1 54 54 LEU HG H 1 1.787 0.020 . 1 . . . A 133 LEU HG . 25801 1 471 . 1 1 54 54 LEU HD11 H 1 0.987 0.020 . 2 . . . A 133 LEU HD11 . 25801 1 472 . 1 1 54 54 LEU HD12 H 1 0.987 0.020 . 2 . . . A 133 LEU HD12 . 25801 1 473 . 1 1 54 54 LEU HD13 H 1 0.987 0.020 . 2 . . . A 133 LEU HD13 . 25801 1 474 . 1 1 54 54 LEU HD21 H 1 0.898 0.020 . 2 . . . A 133 LEU HD21 . 25801 1 475 . 1 1 54 54 LEU HD22 H 1 0.898 0.020 . 2 . . . A 133 LEU HD22 . 25801 1 476 . 1 1 54 54 LEU HD23 H 1 0.898 0.020 . 2 . . . A 133 LEU HD23 . 25801 1 477 . 1 1 54 54 LEU C C 13 179.789 0.200 . 1 . . . A 133 LEU C . 25801 1 478 . 1 1 54 54 LEU CA C 13 57.419 0.200 . 1 . . . A 133 LEU CA . 25801 1 479 . 1 1 54 54 LEU CB C 13 42.038 0.200 . 1 . . . A 133 LEU CB . 25801 1 480 . 1 1 54 54 LEU CG C 13 26.511 0.200 . 1 . . . A 133 LEU CG . 25801 1 481 . 1 1 54 54 LEU CD1 C 13 25.085 0.200 . 2 . . . A 133 LEU CD1 . 25801 1 482 . 1 1 54 54 LEU CD2 C 13 23.450 0.200 . 2 . . . A 133 LEU CD2 . 25801 1 483 . 1 1 54 54 LEU N N 15 119.857 0.200 . 1 . . . A 133 LEU N . 25801 1 484 . 1 1 55 55 CYS H H 1 7.861 0.020 . 1 . . . A 134 CYS H . 25801 1 485 . 1 1 55 55 CYS HA H 1 3.823 0.020 . 1 . . . A 134 CYS HA . 25801 1 486 . 1 1 55 55 CYS HB2 H 1 2.309 0.020 . 2 . . . A 134 CYS HB2 . 25801 1 487 . 1 1 55 55 CYS HB3 H 1 2.882 0.020 . 2 . . . A 134 CYS HB3 . 25801 1 488 . 1 1 55 55 CYS C C 13 178.409 0.200 . 1 . . . A 134 CYS C . 25801 1 489 . 1 1 55 55 CYS CA C 13 64.044 0.200 . 1 . . . A 134 CYS CA . 25801 1 490 . 1 1 55 55 CYS CB C 13 26.908 0.200 . 1 . . . A 134 CYS CB . 25801 1 491 . 1 1 55 55 CYS N N 15 115.570 0.200 . 1 . . . A 134 CYS N . 25801 1 492 . 1 1 56 56 GLU H H 1 7.791 0.020 . 1 . . . A 135 GLU H . 25801 1 493 . 1 1 56 56 GLU HA H 1 3.934 0.020 . 1 . . . A 135 GLU HA . 25801 1 494 . 1 1 56 56 GLU HB2 H 1 1.998 0.020 . 2 . . . A 135 GLU HB2 . 25801 1 495 . 1 1 56 56 GLU HB3 H 1 1.935 0.020 . 2 . . . A 135 GLU HB3 . 25801 1 496 . 1 1 56 56 GLU HG2 H 1 2.057 0.020 . 2 . . . A 135 GLU HG2 . 25801 1 497 . 1 1 56 56 GLU HG3 H 1 1.865 0.020 . 2 . . . A 135 GLU HG3 . 25801 1 498 . 1 1 56 56 GLU C C 13 178.661 0.200 . 1 . . . A 135 GLU C . 25801 1 499 . 1 1 56 56 GLU CA C 13 58.914 0.200 . 1 . . . A 135 GLU CA . 25801 1 500 . 1 1 56 56 GLU CB C 13 29.255 0.200 . 1 . . . A 135 GLU CB . 25801 1 501 . 1 1 56 56 GLU CG C 13 35.864 0.200 . 1 . . . A 135 GLU CG . 25801 1 502 . 1 1 56 56 GLU N N 15 124.038 0.200 . 1 . . . A 135 GLU N . 25801 1 503 . 1 1 57 57 LEU H H 1 7.440 0.020 . 1 . . . A 136 LEU H . 25801 1 504 . 1 1 57 57 LEU HA H 1 3.857 0.020 . 1 . . . A 136 LEU HA . 25801 1 505 . 1 1 57 57 LEU HB2 H 1 1.684 0.020 . 2 . . . A 136 LEU HB2 . 25801 1 506 . 1 1 57 57 LEU HB3 H 1 1.570 0.020 . 2 . . . A 136 LEU HB3 . 25801 1 507 . 1 1 57 57 LEU HG H 1 1.547 0.020 . 1 . . . A 136 LEU HG . 25801 1 508 . 1 1 57 57 LEU HD11 H 1 0.761 0.020 . 2 . . . A 136 LEU HD11 . 25801 1 509 . 1 1 57 57 LEU HD12 H 1 0.761 0.020 . 2 . . . A 136 LEU HD12 . 25801 1 510 . 1 1 57 57 LEU HD13 H 1 0.761 0.020 . 2 . . . A 136 LEU HD13 . 25801 1 511 . 1 1 57 57 LEU HD21 H 1 0.795 0.020 . 2 . . . A 136 LEU HD21 . 25801 1 512 . 1 1 57 57 LEU HD22 H 1 0.795 0.020 . 2 . . . A 136 LEU HD22 . 25801 1 513 . 1 1 57 57 LEU HD23 H 1 0.795 0.020 . 2 . . . A 136 LEU HD23 . 25801 1 514 . 1 1 57 57 LEU C C 13 179.347 0.200 . 1 . . . A 136 LEU C . 25801 1 515 . 1 1 57 57 LEU CA C 13 57.596 0.200 . 1 . . . A 136 LEU CA . 25801 1 516 . 1 1 57 57 LEU CB C 13 41.456 0.200 . 1 . . . A 136 LEU CB . 25801 1 517 . 1 1 57 57 LEU CG C 13 26.627 0.200 . 1 . . . A 136 LEU CG . 25801 1 518 . 1 1 57 57 LEU CD1 C 13 23.647 0.200 . 1 . . . A 136 LEU CD1 . 25801 1 519 . 1 1 57 57 LEU CD2 C 13 24.161 0.200 . 1 . . . A 136 LEU CD2 . 25801 1 520 . 1 1 57 57 LEU N N 15 120.552 0.200 . 1 . . . A 136 LEU N . 25801 1 521 . 1 1 58 58 GLU H H 1 7.363 0.020 . 1 . . . A 137 GLU H . 25801 1 522 . 1 1 58 58 GLU HA H 1 3.811 0.020 . 1 . . . A 137 GLU HA . 25801 1 523 . 1 1 58 58 GLU HB2 H 1 0.859 0.020 . 2 . . . A 137 GLU HB2 . 25801 1 524 . 1 1 58 58 GLU HB3 H 1 0.859 0.020 . 2 . . . A 137 GLU HB3 . 25801 1 525 . 1 1 58 58 GLU HG2 H 1 1.715 0.020 . 2 . . . A 137 GLU HG2 . 25801 1 526 . 1 1 58 58 GLU HG3 H 1 1.549 0.020 . 2 . . . A 137 GLU HG3 . 25801 1 527 . 1 1 58 58 GLU C C 13 177.943 0.200 . 1 . . . A 137 GLU C . 25801 1 528 . 1 1 58 58 GLU CA C 13 56.935 0.200 . 1 . . . A 137 GLU CA . 25801 1 529 . 1 1 58 58 GLU CB C 13 29.097 0.200 . 1 . . . A 137 GLU CB . 25801 1 530 . 1 1 58 58 GLU CG C 13 34.699 0.200 . 1 . . . A 137 GLU CG . 25801 1 531 . 1 1 58 58 GLU N N 15 114.580 0.200 . 1 . . . A 137 GLU N . 25801 1 532 . 1 1 59 59 SER H H 1 7.731 0.020 . 1 . . . A 138 SER H . 25801 1 533 . 1 1 59 59 SER HA H 1 4.103 0.020 . 1 . . . A 138 SER HA . 25801 1 534 . 1 1 59 59 SER HB2 H 1 3.634 0.020 . 2 . . . A 138 SER HB2 . 25801 1 535 . 1 1 59 59 SER HB3 H 1 3.801 0.020 . 2 . . . A 138 SER HB3 . 25801 1 536 . 1 1 59 59 SER C C 13 175.808 0.200 . 1 . . . A 138 SER C . 25801 1 537 . 1 1 59 59 SER CA C 13 59.314 0.200 . 1 . . . A 138 SER CA . 25801 1 538 . 1 1 59 59 SER CB C 13 66.341 0.200 . 1 . . . A 138 SER CB . 25801 1 539 . 1 1 59 59 SER N N 15 110.577 0.200 . 1 . . . A 138 SER N . 25801 1 540 . 1 1 60 60 GLY H H 1 7.997 0.020 . 1 . . . A 139 GLY H . 25801 1 541 . 1 1 60 60 GLY HA2 H 1 3.675 0.020 . 2 . . . A 139 GLY HA2 . 25801 1 542 . 1 1 60 60 GLY HA3 H 1 4.048 0.020 . 2 . . . A 139 GLY HA3 . 25801 1 543 . 1 1 60 60 GLY C C 13 174.111 0.200 . 1 . . . A 139 GLY C . 25801 1 544 . 1 1 60 60 GLY CA C 13 45.527 0.200 . 1 . . . A 139 GLY CA . 25801 1 545 . 1 1 60 60 GLY N N 15 112.370 0.200 . 1 . . . A 139 GLY N . 25801 1 546 . 1 1 61 61 ILE H H 1 8.039 0.020 . 1 . . . A 140 ILE H . 25801 1 547 . 1 1 61 61 ILE HA H 1 4.147 0.020 . 1 . . . A 140 ILE HA . 25801 1 548 . 1 1 61 61 ILE HB H 1 1.555 0.020 . 1 . . . A 140 ILE HB . 25801 1 549 . 1 1 61 61 ILE HG12 H 1 1.259 0.020 . 2 . . . A 140 ILE HG12 . 25801 1 550 . 1 1 61 61 ILE HG13 H 1 0.690 0.020 . 2 . . . A 140 ILE HG13 . 25801 1 551 . 1 1 61 61 ILE HG21 H 1 0.625 0.020 . 1 . . . A 140 ILE HG21 . 25801 1 552 . 1 1 61 61 ILE HG22 H 1 0.625 0.020 . 1 . . . A 140 ILE HG22 . 25801 1 553 . 1 1 61 61 ILE HG23 H 1 0.625 0.020 . 1 . . . A 140 ILE HG23 . 25801 1 554 . 1 1 61 61 ILE HD11 H 1 0.554 0.020 . 1 . . . A 140 ILE HD11 . 25801 1 555 . 1 1 61 61 ILE HD12 H 1 0.554 0.020 . 1 . . . A 140 ILE HD12 . 25801 1 556 . 1 1 61 61 ILE HD13 H 1 0.554 0.020 . 1 . . . A 140 ILE HD13 . 25801 1 557 . 1 1 61 61 ILE CA C 13 58.157 0.200 . 1 . . . A 140 ILE CA . 25801 1 558 . 1 1 61 61 ILE CB C 13 38.769 0.200 . 1 . . . A 140 ILE CB . 25801 1 559 . 1 1 61 61 ILE CG1 C 13 26.831 0.200 . 1 . . . A 140 ILE CG1 . 25801 1 560 . 1 1 61 61 ILE CG2 C 13 16.348 0.200 . 1 . . . A 140 ILE CG2 . 25801 1 561 . 1 1 61 61 ILE CD1 C 13 13.688 0.200 . 1 . . . A 140 ILE CD1 . 25801 1 562 . 1 1 61 61 ILE N N 15 123.665 0.200 . 1 . . . A 140 ILE N . 25801 1 563 . 1 1 62 62 PRO HA H 1 4.039 0.020 . 1 . . . A 141 PRO HA . 25801 1 564 . 1 1 62 62 PRO HB2 H 1 1.609 0.020 . 2 . . . A 141 PRO HB2 . 25801 1 565 . 1 1 62 62 PRO HB3 H 1 2.257 0.020 . 2 . . . A 141 PRO HB3 . 25801 1 566 . 1 1 62 62 PRO HG2 H 1 1.934 0.020 . 2 . . . A 141 PRO HG2 . 25801 1 567 . 1 1 62 62 PRO HG3 H 1 1.934 0.020 . 2 . . . A 141 PRO HG3 . 25801 1 568 . 1 1 62 62 PRO HD2 H 1 3.940 0.020 . 2 . . . A 141 PRO HD2 . 25801 1 569 . 1 1 62 62 PRO HD3 H 1 3.343 0.020 . 2 . . . A 141 PRO HD3 . 25801 1 570 . 1 1 62 62 PRO C C 13 178.482 0.200 . 1 . . . A 141 PRO C . 25801 1 571 . 1 1 62 62 PRO CA C 13 62.804 0.200 . 1 . . . A 141 PRO CA . 25801 1 572 . 1 1 62 62 PRO CB C 13 31.975 0.200 . 1 . . . A 141 PRO CB . 25801 1 573 . 1 1 62 62 PRO CG C 13 27.525 0.200 . 1 . . . A 141 PRO CG . 25801 1 574 . 1 1 62 62 PRO CD C 13 51.005 0.200 . 1 . . . A 141 PRO CD . 25801 1 575 . 1 1 63 63 ALA H H 1 9.166 0.020 . 1 . . . A 142 ALA H . 25801 1 576 . 1 1 63 63 ALA HA H 1 4.058 0.020 . 1 . . . A 142 ALA HA . 25801 1 577 . 1 1 63 63 ALA HB1 H 1 1.221 0.020 . 1 . . . A 142 ALA HB1 . 25801 1 578 . 1 1 63 63 ALA HB2 H 1 1.221 0.020 . 1 . . . A 142 ALA HB2 . 25801 1 579 . 1 1 63 63 ALA HB3 H 1 1.221 0.020 . 1 . . . A 142 ALA HB3 . 25801 1 580 . 1 1 63 63 ALA C C 13 180.067 0.200 . 1 . . . A 142 ALA C . 25801 1 581 . 1 1 63 63 ALA CA C 13 53.983 0.200 . 1 . . . A 142 ALA CA . 25801 1 582 . 1 1 63 63 ALA CB C 13 18.781 0.200 . 1 . . . A 142 ALA CB . 25801 1 583 . 1 1 63 63 ALA N N 15 128.827 0.200 . 1 . . . A 142 ALA N . 25801 1 584 . 1 1 64 64 ALA H H 1 8.494 0.020 . 1 . . . A 143 ALA H . 25801 1 585 . 1 1 64 64 ALA HA H 1 4.079 0.020 . 1 . . . A 143 ALA HA . 25801 1 586 . 1 1 64 64 ALA HB1 H 1 1.345 0.020 . 1 . . . A 143 ALA HB1 . 25801 1 587 . 1 1 64 64 ALA HB2 H 1 1.345 0.020 . 1 . . . A 143 ALA HB2 . 25801 1 588 . 1 1 64 64 ALA HB3 H 1 1.345 0.020 . 1 . . . A 143 ALA HB3 . 25801 1 589 . 1 1 64 64 ALA C C 13 178.775 0.200 . 1 . . . A 143 ALA C . 25801 1 590 . 1 1 64 64 ALA CA C 13 54.036 0.200 . 1 . . . A 143 ALA CA . 25801 1 591 . 1 1 64 64 ALA CB C 13 18.655 0.200 . 1 . . . A 143 ALA CB . 25801 1 592 . 1 1 64 64 ALA N N 15 118.038 0.200 . 1 . . . A 143 ALA N . 25801 1 593 . 1 1 65 65 GLU H H 1 7.722 0.020 . 1 . . . A 144 GLU H . 25801 1 594 . 1 1 65 65 GLU HA H 1 4.397 0.020 . 1 . . . A 144 GLU HA . 25801 1 595 . 1 1 65 65 GLU HB2 H 1 2.241 0.020 . 2 . . . A 144 GLU HB2 . 25801 1 596 . 1 1 65 65 GLU HB3 H 1 1.685 0.020 . 2 . . . A 144 GLU HB3 . 25801 1 597 . 1 1 65 65 GLU HG2 H 1 2.120 0.020 . 2 . . . A 144 GLU HG2 . 25801 1 598 . 1 1 65 65 GLU HG3 H 1 2.027 0.020 . 2 . . . A 144 GLU HG3 . 25801 1 599 . 1 1 65 65 GLU C C 13 176.061 0.200 . 1 . . . A 144 GLU C . 25801 1 600 . 1 1 65 65 GLU CA C 13 54.972 0.200 . 1 . . . A 144 GLU CA . 25801 1 601 . 1 1 65 65 GLU CB C 13 30.716 0.200 . 1 . . . A 144 GLU CB . 25801 1 602 . 1 1 65 65 GLU CG C 13 36.139 0.200 . 1 . . . A 144 GLU CG . 25801 1 603 . 1 1 65 65 GLU N N 15 114.118 0.200 . 1 . . . A 144 GLU N . 25801 1 604 . 1 1 66 66 SER H H 1 7.335 0.020 . 1 . . . A 145 SER H . 25801 1 605 . 1 1 66 66 SER HA H 1 4.591 0.020 . 1 . . . A 145 SER HA . 25801 1 606 . 1 1 66 66 SER HB2 H 1 3.504 0.020 . 2 . . . A 145 SER HB2 . 25801 1 607 . 1 1 66 66 SER HB3 H 1 3.607 0.020 . 2 . . . A 145 SER HB3 . 25801 1 608 . 1 1 66 66 SER C C 13 173.880 0.200 . 1 . . . A 145 SER C . 25801 1 609 . 1 1 66 66 SER CA C 13 57.641 0.200 . 1 . . . A 145 SER CA . 25801 1 610 . 1 1 66 66 SER CB C 13 64.948 0.200 . 1 . . . A 145 SER CB . 25801 1 611 . 1 1 66 66 SER N N 15 113.079 0.200 . 1 . . . A 145 SER N . 25801 1 612 . 1 1 67 67 GLN H H 1 8.729 0.020 . 1 . . . A 146 GLN H . 25801 1 613 . 1 1 67 67 GLN HA H 1 4.507 0.020 . 1 . . . A 146 GLN HA . 25801 1 614 . 1 1 67 67 GLN HB2 H 1 1.770 0.020 . 2 . . . A 146 GLN HB2 . 25801 1 615 . 1 1 67 67 GLN HB3 H 1 1.888 0.020 . 2 . . . A 146 GLN HB3 . 25801 1 616 . 1 1 67 67 GLN HG2 H 1 2.094 0.020 . 2 . . . A 146 GLN HG2 . 25801 1 617 . 1 1 67 67 GLN HG3 H 1 2.197 0.020 . 2 . . . A 146 GLN HG3 . 25801 1 618 . 1 1 67 67 GLN HE21 H 1 7.382 0.020 . 2 . . . A 146 GLN HE21 . 25801 1 619 . 1 1 67 67 GLN HE22 H 1 6.655 0.020 . 2 . . . A 146 GLN HE22 . 25801 1 620 . 1 1 67 67 GLN C C 13 174.580 0.200 . 1 . . . A 146 GLN C . 25801 1 621 . 1 1 67 67 GLN CA C 13 54.282 0.200 . 1 . . . A 146 GLN CA . 25801 1 622 . 1 1 67 67 GLN CB C 13 31.119 0.200 . 1 . . . A 146 GLN CB . 25801 1 623 . 1 1 67 67 GLN CG C 13 33.599 0.200 . 1 . . . A 146 GLN CG . 25801 1 624 . 1 1 67 67 GLN N N 15 121.084 0.200 . 1 . . . A 146 GLN N . 25801 1 625 . 1 1 67 67 GLN NE2 N 15 112.207 0.200 . 1 . . . A 146 GLN NE2 . 25801 1 626 . 1 1 68 68 ILE H H 1 8.883 0.020 . 1 . . . A 147 ILE H . 25801 1 627 . 1 1 68 68 ILE HA H 1 4.896 0.020 . 1 . . . A 147 ILE HA . 25801 1 628 . 1 1 68 68 ILE HB H 1 1.686 0.020 . 1 . . . A 147 ILE HB . 25801 1 629 . 1 1 68 68 ILE HG12 H 1 1.496 0.020 . 2 . . . A 147 ILE HG12 . 25801 1 630 . 1 1 68 68 ILE HG13 H 1 1.047 0.020 . 2 . . . A 147 ILE HG13 . 25801 1 631 . 1 1 68 68 ILE HG21 H 1 0.720 0.020 . 1 . . . A 147 ILE HG21 . 25801 1 632 . 1 1 68 68 ILE HG22 H 1 0.720 0.020 . 1 . . . A 147 ILE HG22 . 25801 1 633 . 1 1 68 68 ILE HG23 H 1 0.720 0.020 . 1 . . . A 147 ILE HG23 . 25801 1 634 . 1 1 68 68 ILE HD11 H 1 0.779 0.020 . 1 . . . A 147 ILE HD11 . 25801 1 635 . 1 1 68 68 ILE HD12 H 1 0.779 0.020 . 1 . . . A 147 ILE HD12 . 25801 1 636 . 1 1 68 68 ILE HD13 H 1 0.779 0.020 . 1 . . . A 147 ILE HD13 . 25801 1 637 . 1 1 68 68 ILE C C 13 175.032 0.200 . 1 . . . A 147 ILE C . 25801 1 638 . 1 1 68 68 ILE CA C 13 59.471 0.200 . 1 . . . A 147 ILE CA . 25801 1 639 . 1 1 68 68 ILE CB C 13 38.420 0.200 . 1 . . . A 147 ILE CB . 25801 1 640 . 1 1 68 68 ILE CG1 C 13 27.903 0.200 . 1 . . . A 147 ILE CG1 . 25801 1 641 . 1 1 68 68 ILE CG2 C 13 17.668 0.200 . 1 . . . A 147 ILE CG2 . 25801 1 642 . 1 1 68 68 ILE CD1 C 13 13.144 0.200 . 1 . . . A 147 ILE CD1 . 25801 1 643 . 1 1 68 68 ILE N N 15 125.168 0.200 . 1 . . . A 147 ILE N . 25801 1 644 . 1 1 69 69 VAL H H 1 9.540 0.020 . 1 . . . A 148 VAL H . 25801 1 645 . 1 1 69 69 VAL HA H 1 4.450 0.020 . 1 . . . A 148 VAL HA . 25801 1 646 . 1 1 69 69 VAL HB H 1 1.721 0.020 . 1 . . . A 148 VAL HB . 25801 1 647 . 1 1 69 69 VAL HG11 H 1 0.579 0.020 . 2 . . . A 148 VAL HG11 . 25801 1 648 . 1 1 69 69 VAL HG12 H 1 0.579 0.020 . 2 . . . A 148 VAL HG12 . 25801 1 649 . 1 1 69 69 VAL HG13 H 1 0.579 0.020 . 2 . . . A 148 VAL HG13 . 25801 1 650 . 1 1 69 69 VAL HG21 H 1 0.498 0.020 . 2 . . . A 148 VAL HG21 . 25801 1 651 . 1 1 69 69 VAL HG22 H 1 0.498 0.020 . 2 . . . A 148 VAL HG22 . 25801 1 652 . 1 1 69 69 VAL HG23 H 1 0.498 0.020 . 2 . . . A 148 VAL HG23 . 25801 1 653 . 1 1 69 69 VAL C C 13 174.563 0.200 . 1 . . . A 148 VAL C . 25801 1 654 . 1 1 69 69 VAL CA C 13 60.788 0.200 . 1 . . . A 148 VAL CA . 25801 1 655 . 1 1 69 69 VAL CB C 13 34.290 0.200 . 1 . . . A 148 VAL CB . 25801 1 656 . 1 1 69 69 VAL CG1 C 13 20.560 0.200 . 1 . . . A 148 VAL CG1 . 25801 1 657 . 1 1 69 69 VAL CG2 C 13 20.505 0.200 . 1 . . . A 148 VAL CG2 . 25801 1 658 . 1 1 69 69 VAL N N 15 128.681 0.200 . 1 . . . A 148 VAL N . 25801 1 659 . 1 1 70 70 TYR H H 1 8.531 0.020 . 1 . . . A 149 TYR H . 25801 1 660 . 1 1 70 70 TYR HA H 1 4.954 0.020 . 1 . . . A 149 TYR HA . 25801 1 661 . 1 1 70 70 TYR HB2 H 1 2.592 0.020 . 2 . . . A 149 TYR HB2 . 25801 1 662 . 1 1 70 70 TYR HB3 H 1 2.755 0.020 . 2 . . . A 149 TYR HB3 . 25801 1 663 . 1 1 70 70 TYR HD1 H 1 7.080 0.020 . 3 . . . A 149 TYR HD1 . 25801 1 664 . 1 1 70 70 TYR HD2 H 1 7.080 0.020 . 3 . . . A 149 TYR HD2 . 25801 1 665 . 1 1 70 70 TYR HE1 H 1 6.687 0.020 . 3 . . . A 149 TYR HE1 . 25801 1 666 . 1 1 70 70 TYR HE2 H 1 6.687 0.020 . 3 . . . A 149 TYR HE2 . 25801 1 667 . 1 1 70 70 TYR C C 13 174.821 0.200 . 1 . . . A 149 TYR C . 25801 1 668 . 1 1 70 70 TYR CA C 13 55.326 0.200 . 1 . . . A 149 TYR CA . 25801 1 669 . 1 1 70 70 TYR CB C 13 41.734 0.200 . 1 . . . A 149 TYR CB . 25801 1 670 . 1 1 70 70 TYR N N 15 126.782 0.200 . 1 . . . A 149 TYR N . 25801 1 671 . 1 1 71 71 ALA H H 1 8.859 0.020 . 1 . . . A 150 ALA H . 25801 1 672 . 1 1 71 71 ALA HA H 1 3.566 0.020 . 1 . . . A 150 ALA HA . 25801 1 673 . 1 1 71 71 ALA HB1 H 1 0.693 0.020 . 1 . . . A 150 ALA HB1 . 25801 1 674 . 1 1 71 71 ALA HB2 H 1 0.693 0.020 . 1 . . . A 150 ALA HB2 . 25801 1 675 . 1 1 71 71 ALA HB3 H 1 0.693 0.020 . 1 . . . A 150 ALA HB3 . 25801 1 676 . 1 1 71 71 ALA C C 13 176.721 0.200 . 1 . . . A 150 ALA C . 25801 1 677 . 1 1 71 71 ALA CA C 13 52.615 0.200 . 1 . . . A 150 ALA CA . 25801 1 678 . 1 1 71 71 ALA CB C 13 15.629 0.200 . 1 . . . A 150 ALA CB . 25801 1 679 . 1 1 71 71 ALA N N 15 133.938 0.200 . 1 . . . A 150 ALA N . 25801 1 680 . 1 1 72 72 GLU H H 1 8.234 0.020 . 1 . . . A 151 GLU H . 25801 1 681 . 1 1 72 72 GLU HA H 1 3.427 0.020 . 1 . . . A 151 GLU HA . 25801 1 682 . 1 1 72 72 GLU HB2 H 1 2.119 0.020 . 2 . . . A 151 GLU HB2 . 25801 1 683 . 1 1 72 72 GLU HB3 H 1 2.189 0.020 . 2 . . . A 151 GLU HB3 . 25801 1 684 . 1 1 72 72 GLU HG2 H 1 1.935 0.020 . 2 . . . A 151 GLU HG2 . 25801 1 685 . 1 1 72 72 GLU HG3 H 1 2.019 0.020 . 2 . . . A 151 GLU HG3 . 25801 1 686 . 1 1 72 72 GLU C C 13 175.774 0.200 . 1 . . . A 151 GLU C . 25801 1 687 . 1 1 72 72 GLU CA C 13 57.574 0.200 . 1 . . . A 151 GLU CA . 25801 1 688 . 1 1 72 72 GLU CB C 13 27.549 0.200 . 1 . . . A 151 GLU CB . 25801 1 689 . 1 1 72 72 GLU CG C 13 36.362 0.200 . 1 . . . A 151 GLU CG . 25801 1 690 . 1 1 72 72 GLU N N 15 106.551 0.200 . 1 . . . A 151 GLU N . 25801 1 691 . 1 1 73 73 ARG H H 1 7.940 0.020 . 1 . . . A 152 ARG H . 25801 1 692 . 1 1 73 73 ARG HA H 1 4.861 0.020 . 1 . . . A 152 ARG HA . 25801 1 693 . 1 1 73 73 ARG HB2 H 1 1.823 0.020 . 2 . . . A 152 ARG HB2 . 25801 1 694 . 1 1 73 73 ARG HB3 H 1 1.823 0.020 . 2 . . . A 152 ARG HB3 . 25801 1 695 . 1 1 73 73 ARG HG2 H 1 1.647 0.020 . 2 . . . A 152 ARG HG2 . 25801 1 696 . 1 1 73 73 ARG HG3 H 1 1.647 0.020 . 2 . . . A 152 ARG HG3 . 25801 1 697 . 1 1 73 73 ARG HD2 H 1 3.180 0.020 . 2 . . . A 152 ARG HD2 . 25801 1 698 . 1 1 73 73 ARG HD3 H 1 3.180 0.020 . 2 . . . A 152 ARG HD3 . 25801 1 699 . 1 1 73 73 ARG CA C 13 52.541 0.200 . 1 . . . A 152 ARG CA . 25801 1 700 . 1 1 73 73 ARG CB C 13 31.736 0.200 . 1 . . . A 152 ARG CB . 25801 1 701 . 1 1 73 73 ARG CG C 13 26.327 0.200 . 1 . . . A 152 ARG CG . 25801 1 702 . 1 1 73 73 ARG CD C 13 43.326 0.200 . 1 . . . A 152 ARG CD . 25801 1 703 . 1 1 73 73 ARG N N 15 122.088 0.200 . 1 . . . A 152 ARG N . 25801 1 704 . 1 1 74 74 PRO HA H 1 4.828 0.020 . 1 . . . A 153 PRO HA . 25801 1 705 . 1 1 74 74 PRO HB2 H 1 1.683 0.020 . 2 . . . A 153 PRO HB2 . 25801 1 706 . 1 1 74 74 PRO HB3 H 1 1.990 0.020 . 2 . . . A 153 PRO HB3 . 25801 1 707 . 1 1 74 74 PRO HG2 H 1 2.057 0.020 . 2 . . . A 153 PRO HG2 . 25801 1 708 . 1 1 74 74 PRO HG3 H 1 1.791 0.020 . 2 . . . A 153 PRO HG3 . 25801 1 709 . 1 1 74 74 PRO HD2 H 1 3.818 0.020 . 2 . . . A 153 PRO HD2 . 25801 1 710 . 1 1 74 74 PRO HD3 H 1 3.645 0.020 . 2 . . . A 153 PRO HD3 . 25801 1 711 . 1 1 74 74 PRO C C 13 177.060 0.200 . 1 . . . A 153 PRO C . 25801 1 712 . 1 1 74 74 PRO CA C 13 61.661 0.200 . 1 . . . A 153 PRO CA . 25801 1 713 . 1 1 74 74 PRO CB C 13 31.416 0.200 . 1 . . . A 153 PRO CB . 25801 1 714 . 1 1 74 74 PRO CG C 13 27.362 0.200 . 1 . . . A 153 PRO CG . 25801 1 715 . 1 1 74 74 PRO CD C 13 50.487 0.200 . 1 . . . A 153 PRO CD . 25801 1 716 . 1 1 75 75 LEU H H 1 8.886 0.020 . 1 . . . A 154 LEU H . 25801 1 717 . 1 1 75 75 LEU HA H 1 4.281 0.020 . 1 . . . A 154 LEU HA . 25801 1 718 . 1 1 75 75 LEU HB2 H 1 1.493 0.020 . 2 . . . A 154 LEU HB2 . 25801 1 719 . 1 1 75 75 LEU HB3 H 1 0.510 0.020 . 2 . . . A 154 LEU HB3 . 25801 1 720 . 1 1 75 75 LEU HG H 1 1.321 0.020 . 1 . . . A 154 LEU HG . 25801 1 721 . 1 1 75 75 LEU HD11 H 1 0.184 0.020 . 2 . . . A 154 LEU HD11 . 25801 1 722 . 1 1 75 75 LEU HD12 H 1 0.184 0.020 . 2 . . . A 154 LEU HD12 . 25801 1 723 . 1 1 75 75 LEU HD13 H 1 0.184 0.020 . 2 . . . A 154 LEU HD13 . 25801 1 724 . 1 1 75 75 LEU HD21 H 1 0.310 0.020 . 2 . . . A 154 LEU HD21 . 25801 1 725 . 1 1 75 75 LEU HD22 H 1 0.310 0.020 . 2 . . . A 154 LEU HD22 . 25801 1 726 . 1 1 75 75 LEU HD23 H 1 0.310 0.020 . 2 . . . A 154 LEU HD23 . 25801 1 727 . 1 1 75 75 LEU C C 13 177.761 0.200 . 1 . . . A 154 LEU C . 25801 1 728 . 1 1 75 75 LEU CA C 13 53.544 0.200 . 1 . . . A 154 LEU CA . 25801 1 729 . 1 1 75 75 LEU CB C 13 39.677 0.200 . 1 . . . A 154 LEU CB . 25801 1 730 . 1 1 75 75 LEU CG C 13 25.739 0.200 . 1 . . . A 154 LEU CG . 25801 1 731 . 1 1 75 75 LEU CD1 C 13 24.076 0.200 . 2 . . . A 154 LEU CD1 . 25801 1 732 . 1 1 75 75 LEU CD2 C 13 21.075 0.200 . 2 . . . A 154 LEU CD2 . 25801 1 733 . 1 1 75 75 LEU N N 15 125.156 0.200 . 1 . . . A 154 LEU N . 25801 1 734 . 1 1 76 76 THR H H 1 8.000 0.020 . 1 . . . A 155 THR H . 25801 1 735 . 1 1 76 76 THR HA H 1 4.334 0.020 . 1 . . . A 155 THR HA . 25801 1 736 . 1 1 76 76 THR HB H 1 4.360 0.020 . 1 . . . A 155 THR HB . 25801 1 737 . 1 1 76 76 THR HG21 H 1 1.009 0.020 . 1 . . . A 155 THR HG21 . 25801 1 738 . 1 1 76 76 THR HG22 H 1 1.009 0.020 . 1 . . . A 155 THR HG22 . 25801 1 739 . 1 1 76 76 THR HG23 H 1 1.009 0.020 . 1 . . . A 155 THR HG23 . 25801 1 740 . 1 1 76 76 THR C C 13 174.355 0.200 . 1 . . . A 155 THR C . 25801 1 741 . 1 1 76 76 THR CA C 13 61.826 0.200 . 1 . . . A 155 THR CA . 25801 1 742 . 1 1 76 76 THR CB C 13 69.814 0.200 . 1 . . . A 155 THR CB . 25801 1 743 . 1 1 76 76 THR CG2 C 13 20.956 0.200 . 1 . . . A 155 THR CG2 . 25801 1 744 . 1 1 76 76 THR N N 15 111.734 0.200 . 1 . . . A 155 THR N . 25801 1 745 . 1 1 77 77 ASP H H 1 7.662 0.020 . 1 . . . A 156 ASP H . 25801 1 746 . 1 1 77 77 ASP HA H 1 4.881 0.020 . 1 . . . A 156 ASP HA . 25801 1 747 . 1 1 77 77 ASP HB2 H 1 2.530 0.020 . 2 . . . A 156 ASP HB2 . 25801 1 748 . 1 1 77 77 ASP HB3 H 1 2.955 0.020 . 2 . . . A 156 ASP HB3 . 25801 1 749 . 1 1 77 77 ASP CA C 13 52.666 0.200 . 1 . . . A 156 ASP CA . 25801 1 750 . 1 1 77 77 ASP CB C 13 40.535 0.200 . 1 . . . A 156 ASP CB . 25801 1 751 . 1 1 77 77 ASP N N 15 121.645 0.200 . 1 . . . A 156 ASP N . 25801 1 752 . 1 1 78 78 ASN HA H 1 4.585 0.020 . 1 . . . A 157 ASN HA . 25801 1 753 . 1 1 78 78 ASN HB2 H 1 2.536 0.020 . 2 . . . A 157 ASN HB2 . 25801 1 754 . 1 1 78 78 ASN HB3 H 1 2.325 0.020 . 2 . . . A 157 ASN HB3 . 25801 1 755 . 1 1 78 78 ASN HD21 H 1 7.557 0.020 . 2 . . . A 157 ASN HD21 . 25801 1 756 . 1 1 78 78 ASN HD22 H 1 7.040 0.020 . 2 . . . A 157 ASN HD22 . 25801 1 757 . 1 1 78 78 ASN C C 13 176.048 0.200 . 1 . . . A 157 ASN C . 25801 1 758 . 1 1 78 78 ASN CA C 13 54.889 0.200 . 1 . . . A 157 ASN CA . 25801 1 759 . 1 1 78 78 ASN CB C 13 38.879 0.200 . 1 . . . A 157 ASN CB . 25801 1 760 . 1 1 78 78 ASN ND2 N 15 112.658 0.200 . 1 . . . A 157 ASN ND2 . 25801 1 761 . 1 1 79 79 HIS H H 1 8.422 0.020 . 1 . . . A 158 HIS H . 25801 1 762 . 1 1 79 79 HIS HA H 1 4.910 0.020 . 1 . . . A 158 HIS HA . 25801 1 763 . 1 1 79 79 HIS HB2 H 1 2.963 0.020 . 2 . . . A 158 HIS HB2 . 25801 1 764 . 1 1 79 79 HIS HB3 H 1 3.337 0.020 . 2 . . . A 158 HIS HB3 . 25801 1 765 . 1 1 79 79 HIS HD2 H 1 6.911 0.020 . 1 . . . A 158 HIS HD2 . 25801 1 766 . 1 1 79 79 HIS HE1 H 1 7.882 0.020 . 1 . . . A 158 HIS HE1 . 25801 1 767 . 1 1 79 79 HIS C C 13 174.432 0.200 . 1 . . . A 158 HIS C . 25801 1 768 . 1 1 79 79 HIS CA C 13 55.464 0.200 . 1 . . . A 158 HIS CA . 25801 1 769 . 1 1 79 79 HIS CB C 13 28.919 0.200 . 1 . . . A 158 HIS CB . 25801 1 770 . 1 1 79 79 HIS N N 15 116.116 0.200 . 1 . . . A 158 HIS N . 25801 1 771 . 1 1 80 80 ARG H H 1 7.092 0.020 . 1 . . . A 159 ARG H . 25801 1 772 . 1 1 80 80 ARG HA H 1 4.292 0.020 . 1 . . . A 159 ARG HA . 25801 1 773 . 1 1 80 80 ARG HB2 H 1 1.487 0.020 . 2 . . . A 159 ARG HB2 . 25801 1 774 . 1 1 80 80 ARG HB3 H 1 1.556 0.020 . 2 . . . A 159 ARG HB3 . 25801 1 775 . 1 1 80 80 ARG HG2 H 1 1.258 0.020 . 2 . . . A 159 ARG HG2 . 25801 1 776 . 1 1 80 80 ARG HG3 H 1 1.571 0.020 . 2 . . . A 159 ARG HG3 . 25801 1 777 . 1 1 80 80 ARG HD2 H 1 2.752 0.020 . 2 . . . A 159 ARG HD2 . 25801 1 778 . 1 1 80 80 ARG HD3 H 1 2.563 0.020 . 2 . . . A 159 ARG HD3 . 25801 1 779 . 1 1 80 80 ARG C C 13 176.068 0.200 . 1 . . . A 159 ARG C . 25801 1 780 . 1 1 80 80 ARG CA C 13 54.829 0.200 . 1 . . . A 159 ARG CA . 25801 1 781 . 1 1 80 80 ARG CB C 13 31.660 0.200 . 1 . . . A 159 ARG CB . 25801 1 782 . 1 1 80 80 ARG CG C 13 26.725 0.200 . 1 . . . A 159 ARG CG . 25801 1 783 . 1 1 80 80 ARG CD C 13 42.895 0.200 . 1 . . . A 159 ARG CD . 25801 1 784 . 1 1 80 80 ARG N N 15 120.591 0.200 . 1 . . . A 159 ARG N . 25801 1 785 . 1 1 81 81 SER H H 1 8.658 0.020 . 1 . . . A 160 SER H . 25801 1 786 . 1 1 81 81 SER HA H 1 4.947 0.020 . 1 . . . A 160 SER HA . 25801 1 787 . 1 1 81 81 SER HB2 H 1 3.921 0.020 . 2 . . . A 160 SER HB2 . 25801 1 788 . 1 1 81 81 SER HB3 H 1 4.226 0.020 . 2 . . . A 160 SER HB3 . 25801 1 789 . 1 1 81 81 SER C C 13 176.459 0.200 . 1 . . . A 160 SER C . 25801 1 790 . 1 1 81 81 SER CA C 13 56.232 0.200 . 1 . . . A 160 SER CA . 25801 1 791 . 1 1 81 81 SER CB C 13 65.085 0.200 . 1 . . . A 160 SER CB . 25801 1 792 . 1 1 81 81 SER N N 15 118.074 0.200 . 1 . . . A 160 SER N . 25801 1 793 . 1 1 82 82 LEU H H 1 8.404 0.020 . 1 . . . A 161 LEU H . 25801 1 794 . 1 1 82 82 LEU HA H 1 3.948 0.020 . 1 . . . A 161 LEU HA . 25801 1 795 . 1 1 82 82 LEU HB2 H 1 1.826 0.020 . 2 . . . A 161 LEU HB2 . 25801 1 796 . 1 1 82 82 LEU HB3 H 1 0.983 0.020 . 2 . . . A 161 LEU HB3 . 25801 1 797 . 1 1 82 82 LEU HG H 1 1.780 0.020 . 1 . . . A 161 LEU HG . 25801 1 798 . 1 1 82 82 LEU HD11 H 1 0.475 0.020 . 2 . . . A 161 LEU HD11 . 25801 1 799 . 1 1 82 82 LEU HD12 H 1 0.475 0.020 . 2 . . . A 161 LEU HD12 . 25801 1 800 . 1 1 82 82 LEU HD13 H 1 0.475 0.020 . 2 . . . A 161 LEU HD13 . 25801 1 801 . 1 1 82 82 LEU HD21 H 1 0.211 0.020 . 2 . . . A 161 LEU HD21 . 25801 1 802 . 1 1 82 82 LEU HD22 H 1 0.211 0.020 . 2 . . . A 161 LEU HD22 . 25801 1 803 . 1 1 82 82 LEU HD23 H 1 0.211 0.020 . 2 . . . A 161 LEU HD23 . 25801 1 804 . 1 1 82 82 LEU C C 13 180.140 0.200 . 1 . . . A 161 LEU C . 25801 1 805 . 1 1 82 82 LEU CA C 13 58.003 0.200 . 1 . . . A 161 LEU CA . 25801 1 806 . 1 1 82 82 LEU CB C 13 39.545 0.200 . 1 . . . A 161 LEU CB . 25801 1 807 . 1 1 82 82 LEU CG C 13 26.015 0.200 . 1 . . . A 161 LEU CG . 25801 1 808 . 1 1 82 82 LEU CD1 C 13 25.961 0.200 . 2 . . . A 161 LEU CD1 . 25801 1 809 . 1 1 82 82 LEU CD2 C 13 20.342 0.200 . 2 . . . A 161 LEU CD2 . 25801 1 810 . 1 1 82 82 LEU N N 15 119.816 0.200 . 1 . . . A 161 LEU N . 25801 1 811 . 1 1 83 83 ALA H H 1 8.637 0.020 . 1 . . . A 162 ALA H . 25801 1 812 . 1 1 83 83 ALA HA H 1 4.034 0.020 . 1 . . . A 162 ALA HA . 25801 1 813 . 1 1 83 83 ALA HB1 H 1 1.253 0.020 . 1 . . . A 162 ALA HB1 . 25801 1 814 . 1 1 83 83 ALA HB2 H 1 1.253 0.020 . 1 . . . A 162 ALA HB2 . 25801 1 815 . 1 1 83 83 ALA HB3 H 1 1.253 0.020 . 1 . . . A 162 ALA HB3 . 25801 1 816 . 1 1 83 83 ALA C C 13 182.331 0.200 . 1 . . . A 162 ALA C . 25801 1 817 . 1 1 83 83 ALA CA C 13 54.506 0.200 . 1 . . . A 162 ALA CA . 25801 1 818 . 1 1 83 83 ALA CB C 13 17.924 0.200 . 1 . . . A 162 ALA CB . 25801 1 819 . 1 1 83 83 ALA N N 15 119.775 0.200 . 1 . . . A 162 ALA N . 25801 1 820 . 1 1 84 84 SER H H 1 8.140 0.020 . 1 . . . A 163 SER H . 25801 1 821 . 1 1 84 84 SER HA H 1 4.076 0.020 . 1 . . . A 163 SER HA . 25801 1 822 . 1 1 84 84 SER HB2 H 1 3.851 0.020 . 2 . . . A 163 SER HB2 . 25801 1 823 . 1 1 84 84 SER HB3 H 1 3.917 0.020 . 2 . . . A 163 SER HB3 . 25801 1 824 . 1 1 84 84 SER C C 13 177.404 0.200 . 1 . . . A 163 SER C . 25801 1 825 . 1 1 84 84 SER CA C 13 60.665 0.200 . 1 . . . A 163 SER CA . 25801 1 826 . 1 1 84 84 SER CB C 13 62.215 0.200 . 1 . . . A 163 SER CB . 25801 1 827 . 1 1 84 84 SER N N 15 116.587 0.200 . 1 . . . A 163 SER N . 25801 1 828 . 1 1 85 85 TYR H H 1 7.635 0.020 . 1 . . . A 164 TYR H . 25801 1 829 . 1 1 85 85 TYR HA H 1 4.465 0.020 . 1 . . . A 164 TYR HA . 25801 1 830 . 1 1 85 85 TYR HB2 H 1 2.741 0.020 . 2 . . . A 164 TYR HB2 . 25801 1 831 . 1 1 85 85 TYR HB3 H 1 3.089 0.020 . 2 . . . A 164 TYR HB3 . 25801 1 832 . 1 1 85 85 TYR HD1 H 1 7.085 0.020 . 3 . . . A 164 TYR HD1 . 25801 1 833 . 1 1 85 85 TYR HD2 H 1 7.085 0.020 . 3 . . . A 164 TYR HD2 . 25801 1 834 . 1 1 85 85 TYR HE1 H 1 6.809 0.020 . 3 . . . A 164 TYR HE1 . 25801 1 835 . 1 1 85 85 TYR HE2 H 1 6.809 0.020 . 3 . . . A 164 TYR HE2 . 25801 1 836 . 1 1 85 85 TYR C C 13 175.911 0.200 . 1 . . . A 164 TYR C . 25801 1 837 . 1 1 85 85 TYR CA C 13 59.970 0.200 . 1 . . . A 164 TYR CA . 25801 1 838 . 1 1 85 85 TYR CB C 13 39.150 0.200 . 1 . . . A 164 TYR CB . 25801 1 839 . 1 1 85 85 TYR N N 15 120.891 0.200 . 1 . . . A 164 TYR N . 25801 1 840 . 1 1 86 86 GLY H H 1 7.868 0.020 . 1 . . . A 165 GLY H . 25801 1 841 . 1 1 86 86 GLY HA2 H 1 3.581 0.020 . 2 . . . A 165 GLY HA2 . 25801 1 842 . 1 1 86 86 GLY HA3 H 1 4.236 0.020 . 2 . . . A 165 GLY HA3 . 25801 1 843 . 1 1 86 86 GLY C C 13 173.834 0.200 . 1 . . . A 165 GLY C . 25801 1 844 . 1 1 86 86 GLY CA C 13 44.773 0.200 . 1 . . . A 165 GLY CA . 25801 1 845 . 1 1 86 86 GLY N N 15 106.365 0.200 . 1 . . . A 165 GLY N . 25801 1 846 . 1 1 87 87 LEU H H 1 6.595 0.020 . 1 . . . A 166 LEU H . 25801 1 847 . 1 1 87 87 LEU HA H 1 3.905 0.020 . 1 . . . A 166 LEU HA . 25801 1 848 . 1 1 87 87 LEU HB2 H 1 1.015 0.020 . 2 . . . A 166 LEU HB2 . 25801 1 849 . 1 1 87 87 LEU HB3 H 1 0.897 0.020 . 2 . . . A 166 LEU HB3 . 25801 1 850 . 1 1 87 87 LEU HG H 1 0.608 0.020 . 1 . . . A 166 LEU HG . 25801 1 851 . 1 1 87 87 LEU HD11 H 1 0.185 0.020 . 2 . . . A 166 LEU HD11 . 25801 1 852 . 1 1 87 87 LEU HD12 H 1 0.185 0.020 . 2 . . . A 166 LEU HD12 . 25801 1 853 . 1 1 87 87 LEU HD13 H 1 0.185 0.020 . 2 . . . A 166 LEU HD13 . 25801 1 854 . 1 1 87 87 LEU HD21 H 1 -0.096 0.020 . 2 . . . A 166 LEU HD21 . 25801 1 855 . 1 1 87 87 LEU HD22 H 1 -0.096 0.020 . 2 . . . A 166 LEU HD22 . 25801 1 856 . 1 1 87 87 LEU HD23 H 1 -0.096 0.020 . 2 . . . A 166 LEU HD23 . 25801 1 857 . 1 1 87 87 LEU C C 13 175.688 0.200 . 1 . . . A 166 LEU C . 25801 1 858 . 1 1 87 87 LEU CA C 13 55.780 0.200 . 1 . . . A 166 LEU CA . 25801 1 859 . 1 1 87 87 LEU CB C 13 42.281 0.200 . 1 . . . A 166 LEU CB . 25801 1 860 . 1 1 87 87 LEU CG C 13 28.702 0.200 . 1 . . . A 166 LEU CG . 25801 1 861 . 1 1 87 87 LEU CD1 C 13 25.424 0.200 . 2 . . . A 166 LEU CD1 . 25801 1 862 . 1 1 87 87 LEU CD2 C 13 24.329 0.200 . 2 . . . A 166 LEU CD2 . 25801 1 863 . 1 1 87 87 LEU N N 15 119.882 0.200 . 1 . . . A 166 LEU N . 25801 1 864 . 1 1 88 88 LYS H H 1 8.570 0.020 . 1 . . . A 167 LYS H . 25801 1 865 . 1 1 88 88 LYS HA H 1 4.447 0.020 . 1 . . . A 167 LYS HA . 25801 1 866 . 1 1 88 88 LYS HB2 H 1 1.590 0.020 . 2 . . . A 167 LYS HB2 . 25801 1 867 . 1 1 88 88 LYS HB3 H 1 1.590 0.020 . 2 . . . A 167 LYS HB3 . 25801 1 868 . 1 1 88 88 LYS HG2 H 1 1.402 0.020 . 2 . . . A 167 LYS HG2 . 25801 1 869 . 1 1 88 88 LYS HG3 H 1 1.241 0.020 . 2 . . . A 167 LYS HG3 . 25801 1 870 . 1 1 88 88 LYS HD2 H 1 1.558 0.020 . 2 . . . A 167 LYS HD2 . 25801 1 871 . 1 1 88 88 LYS HD3 H 1 1.558 0.020 . 2 . . . A 167 LYS HD3 . 25801 1 872 . 1 1 88 88 LYS HE2 H 1 2.950 0.020 . 2 . . . A 167 LYS HE2 . 25801 1 873 . 1 1 88 88 LYS HE3 H 1 2.950 0.020 . 2 . . . A 167 LYS HE3 . 25801 1 874 . 1 1 88 88 LYS C C 13 174.800 0.200 . 1 . . . A 167 LYS C . 25801 1 875 . 1 1 88 88 LYS CA C 13 53.843 0.200 . 1 . . . A 167 LYS CA . 25801 1 876 . 1 1 88 88 LYS CB C 13 35.493 0.200 . 1 . . . A 167 LYS CB . 25801 1 877 . 1 1 88 88 LYS CG C 13 22.535 0.200 . 1 . . . A 167 LYS CG . 25801 1 878 . 1 1 88 88 LYS CD C 13 28.383 0.200 . 1 . . . A 167 LYS CD . 25801 1 879 . 1 1 88 88 LYS CE C 13 41.443 0.200 . 1 . . . A 167 LYS CE . 25801 1 880 . 1 1 88 88 LYS N N 15 119.566 0.200 . 1 . . . A 167 LYS N . 25801 1 881 . 1 1 89 89 ASP H H 1 8.054 0.020 . 1 . . . A 168 ASP H . 25801 1 882 . 1 1 89 89 ASP HA H 1 4.140 0.020 . 1 . . . A 168 ASP HA . 25801 1 883 . 1 1 89 89 ASP HB2 H 1 2.601 0.020 . 2 . . . A 168 ASP HB2 . 25801 1 884 . 1 1 89 89 ASP HB3 H 1 2.500 0.020 . 2 . . . A 168 ASP HB3 . 25801 1 885 . 1 1 89 89 ASP C C 13 177.544 0.200 . 1 . . . A 168 ASP C . 25801 1 886 . 1 1 89 89 ASP CA C 13 56.207 0.200 . 1 . . . A 168 ASP CA . 25801 1 887 . 1 1 89 89 ASP CB C 13 42.007 0.200 . 1 . . . A 168 ASP CB . 25801 1 888 . 1 1 89 89 ASP N N 15 116.485 0.200 . 1 . . . A 168 ASP N . 25801 1 889 . 1 1 90 90 GLY H H 1 9.146 0.020 . 1 . . . A 169 GLY H . 25801 1 890 . 1 1 90 90 GLY HA2 H 1 3.607 0.020 . 2 . . . A 169 GLY HA2 . 25801 1 891 . 1 1 90 90 GLY HA3 H 1 4.224 0.020 . 2 . . . A 169 GLY HA3 . 25801 1 892 . 1 1 90 90 GLY C C 13 175.186 0.200 . 1 . . . A 169 GLY C . 25801 1 893 . 1 1 90 90 GLY CA C 13 44.889 0.200 . 1 . . . A 169 GLY CA . 25801 1 894 . 1 1 90 90 GLY N N 15 114.942 0.200 . 1 . . . A 169 GLY N . 25801 1 895 . 1 1 91 91 ASP H H 1 8.001 0.020 . 1 . . . A 170 ASP H . 25801 1 896 . 1 1 91 91 ASP HA H 1 4.731 0.020 . 1 . . . A 170 ASP HA . 25801 1 897 . 1 1 91 91 ASP HB2 H 1 2.883 0.020 . 2 . . . A 170 ASP HB2 . 25801 1 898 . 1 1 91 91 ASP HB3 H 1 2.463 0.020 . 2 . . . A 170 ASP HB3 . 25801 1 899 . 1 1 91 91 ASP C C 13 174.550 0.200 . 1 . . . A 170 ASP C . 25801 1 900 . 1 1 91 91 ASP CA C 13 54.913 0.200 . 1 . . . A 170 ASP CA . 25801 1 901 . 1 1 91 91 ASP CB C 13 42.308 0.200 . 1 . . . A 170 ASP CB . 25801 1 902 . 1 1 91 91 ASP N N 15 122.110 0.200 . 1 . . . A 170 ASP N . 25801 1 903 . 1 1 92 92 VAL H H 1 7.962 0.020 . 1 . . . A 171 VAL H . 25801 1 904 . 1 1 92 92 VAL HA H 1 5.072 0.020 . 1 . . . A 171 VAL HA . 25801 1 905 . 1 1 92 92 VAL HB H 1 1.826 0.020 . 1 . . . A 171 VAL HB . 25801 1 906 . 1 1 92 92 VAL HG11 H 1 0.879 0.020 . 2 . . . A 171 VAL HG11 . 25801 1 907 . 1 1 92 92 VAL HG12 H 1 0.879 0.020 . 2 . . . A 171 VAL HG12 . 25801 1 908 . 1 1 92 92 VAL HG13 H 1 0.879 0.020 . 2 . . . A 171 VAL HG13 . 25801 1 909 . 1 1 92 92 VAL HG21 H 1 0.769 0.020 . 2 . . . A 171 VAL HG21 . 25801 1 910 . 1 1 92 92 VAL HG22 H 1 0.769 0.020 . 2 . . . A 171 VAL HG22 . 25801 1 911 . 1 1 92 92 VAL HG23 H 1 0.769 0.020 . 2 . . . A 171 VAL HG23 . 25801 1 912 . 1 1 92 92 VAL C C 13 176.316 0.200 . 1 . . . A 171 VAL C . 25801 1 913 . 1 1 92 92 VAL CA C 13 59.735 0.200 . 1 . . . A 171 VAL CA . 25801 1 914 . 1 1 92 92 VAL CB C 13 34.001 0.200 . 1 . . . A 171 VAL CB . 25801 1 915 . 1 1 92 92 VAL CG1 C 13 20.970 0.200 . 2 . . . A 171 VAL CG1 . 25801 1 916 . 1 1 92 92 VAL CG2 C 13 22.391 0.200 . 2 . . . A 171 VAL CG2 . 25801 1 917 . 1 1 92 92 VAL N N 15 117.379 0.200 . 1 . . . A 171 VAL N . 25801 1 918 . 1 1 93 93 VAL H H 1 8.931 0.020 . 1 . . . A 172 VAL H . 25801 1 919 . 1 1 93 93 VAL HA H 1 4.660 0.020 . 1 . . . A 172 VAL HA . 25801 1 920 . 1 1 93 93 VAL HB H 1 1.894 0.020 . 1 . . . A 172 VAL HB . 25801 1 921 . 1 1 93 93 VAL HG11 H 1 0.774 0.020 . 2 . . . A 172 VAL HG11 . 25801 1 922 . 1 1 93 93 VAL HG12 H 1 0.774 0.020 . 2 . . . A 172 VAL HG12 . 25801 1 923 . 1 1 93 93 VAL HG13 H 1 0.774 0.020 . 2 . . . A 172 VAL HG13 . 25801 1 924 . 1 1 93 93 VAL HG21 H 1 0.741 0.020 . 2 . . . A 172 VAL HG21 . 25801 1 925 . 1 1 93 93 VAL HG22 H 1 0.741 0.020 . 2 . . . A 172 VAL HG22 . 25801 1 926 . 1 1 93 93 VAL HG23 H 1 0.741 0.020 . 2 . . . A 172 VAL HG23 . 25801 1 927 . 1 1 93 93 VAL C C 13 173.454 0.200 . 1 . . . A 172 VAL C . 25801 1 928 . 1 1 93 93 VAL CA C 13 59.462 0.200 . 1 . . . A 172 VAL CA . 25801 1 929 . 1 1 93 93 VAL CB C 13 34.809 0.200 . 1 . . . A 172 VAL CB . 25801 1 930 . 1 1 93 93 VAL CG2 C 13 21.754 0.200 . 1 . . . A 172 VAL CG2 . 25801 1 931 . 1 1 93 93 VAL N N 15 122.434 0.200 . 1 . . . A 172 VAL N . 25801 1 932 . 1 1 94 94 ILE H H 1 8.647 0.020 . 1 . . . A 173 ILE H . 25801 1 933 . 1 1 94 94 ILE HA H 1 5.041 0.020 . 1 . . . A 173 ILE HA . 25801 1 934 . 1 1 94 94 ILE HB H 1 1.715 0.020 . 1 . . . A 173 ILE HB . 25801 1 935 . 1 1 94 94 ILE HG12 H 1 1.474 0.020 . 2 . . . A 173 ILE HG12 . 25801 1 936 . 1 1 94 94 ILE HG13 H 1 1.197 0.020 . 2 . . . A 173 ILE HG13 . 25801 1 937 . 1 1 94 94 ILE HG21 H 1 0.779 0.020 . 1 . . . A 173 ILE HG21 . 25801 1 938 . 1 1 94 94 ILE HG22 H 1 0.779 0.020 . 1 . . . A 173 ILE HG22 . 25801 1 939 . 1 1 94 94 ILE HG23 H 1 0.779 0.020 . 1 . . . A 173 ILE HG23 . 25801 1 940 . 1 1 94 94 ILE HD11 H 1 0.727 0.020 . 1 . . . A 173 ILE HD11 . 25801 1 941 . 1 1 94 94 ILE HD12 H 1 0.727 0.020 . 1 . . . A 173 ILE HD12 . 25801 1 942 . 1 1 94 94 ILE HD13 H 1 0.727 0.020 . 1 . . . A 173 ILE HD13 . 25801 1 943 . 1 1 94 94 ILE C C 13 174.643 0.200 . 1 . . . A 173 ILE C . 25801 1 944 . 1 1 94 94 ILE CA C 13 59.098 0.200 . 1 . . . A 173 ILE CA . 25801 1 945 . 1 1 94 94 ILE CB C 13 39.799 0.200 . 1 . . . A 173 ILE CB . 25801 1 946 . 1 1 94 94 ILE CG1 C 13 28.397 0.200 . 1 . . . A 173 ILE CG1 . 25801 1 947 . 1 1 94 94 ILE CG2 C 13 17.209 0.200 . 1 . . . A 173 ILE CG2 . 25801 1 948 . 1 1 94 94 ILE CD1 C 13 12.811 0.200 . 1 . . . A 173 ILE CD1 . 25801 1 949 . 1 1 94 94 ILE N N 15 124.245 0.200 . 1 . . . A 173 ILE N . 25801 1 950 . 1 1 95 95 LEU H H 1 8.906 0.020 . 1 . . . A 174 LEU H . 25801 1 951 . 1 1 95 95 LEU HA H 1 5.218 0.020 . 1 . . . A 174 LEU HA . 25801 1 952 . 1 1 95 95 LEU HB2 H 1 1.123 0.020 . 2 . . . A 174 LEU HB2 . 25801 1 953 . 1 1 95 95 LEU HB3 H 1 1.579 0.020 . 2 . . . A 174 LEU HB3 . 25801 1 954 . 1 1 95 95 LEU HG H 1 1.346 0.020 . 1 . . . A 174 LEU HG . 25801 1 955 . 1 1 95 95 LEU HD11 H 1 0.763 0.020 . 2 . . . A 174 LEU HD11 . 25801 1 956 . 1 1 95 95 LEU HD12 H 1 0.763 0.020 . 2 . . . A 174 LEU HD12 . 25801 1 957 . 1 1 95 95 LEU HD13 H 1 0.763 0.020 . 2 . . . A 174 LEU HD13 . 25801 1 958 . 1 1 95 95 LEU HD21 H 1 0.772 0.020 . 2 . . . A 174 LEU HD21 . 25801 1 959 . 1 1 95 95 LEU HD22 H 1 0.772 0.020 . 2 . . . A 174 LEU HD22 . 25801 1 960 . 1 1 95 95 LEU HD23 H 1 0.772 0.020 . 2 . . . A 174 LEU HD23 . 25801 1 961 . 1 1 95 95 LEU C C 13 175.100 0.200 . 1 . . . A 174 LEU C . 25801 1 962 . 1 1 95 95 LEU CA C 13 53.187 0.200 . 1 . . . A 174 LEU CA . 25801 1 963 . 1 1 95 95 LEU CB C 13 45.157 0.200 . 1 . . . A 174 LEU CB . 25801 1 964 . 1 1 95 95 LEU CG C 13 28.180 0.200 . 1 . . . A 174 LEU CG . 25801 1 965 . 1 1 95 95 LEU CD1 C 13 25.734 0.200 . 2 . . . A 174 LEU CD1 . 25801 1 966 . 1 1 95 95 LEU CD2 C 13 24.829 0.200 . 2 . . . A 174 LEU CD2 . 25801 1 967 . 1 1 95 95 LEU N N 15 129.949 0.200 . 1 . . . A 174 LEU N . 25801 1 968 . 1 1 96 96 ARG H H 1 8.995 0.020 . 1 . . . A 175 ARG H . 25801 1 969 . 1 1 96 96 ARG HA H 1 5.037 0.020 . 1 . . . A 175 ARG HA . 25801 1 970 . 1 1 96 96 ARG HB2 H 1 1.600 0.020 . 2 . . . A 175 ARG HB2 . 25801 1 971 . 1 1 96 96 ARG HB3 H 1 1.718 0.020 . 2 . . . A 175 ARG HB3 . 25801 1 972 . 1 1 96 96 ARG HG2 H 1 1.427 0.020 . 2 . . . A 175 ARG HG2 . 25801 1 973 . 1 1 96 96 ARG HG3 H 1 1.427 0.020 . 2 . . . A 175 ARG HG3 . 25801 1 974 . 1 1 96 96 ARG HD2 H 1 3.004 0.020 . 2 . . . A 175 ARG HD2 . 25801 1 975 . 1 1 96 96 ARG HD3 H 1 3.004 0.020 . 2 . . . A 175 ARG HD3 . 25801 1 976 . 1 1 96 96 ARG C C 13 174.849 0.200 . 1 . . . A 175 ARG C . 25801 1 977 . 1 1 96 96 ARG CA C 13 54.087 0.200 . 1 . . . A 175 ARG CA . 25801 1 978 . 1 1 96 96 ARG CB C 13 32.882 0.200 . 1 . . . A 175 ARG CB . 25801 1 979 . 1 1 96 96 ARG CG C 13 27.091 0.200 . 1 . . . A 175 ARG CG . 25801 1 980 . 1 1 96 96 ARG CD C 13 43.048 0.200 . 1 . . . A 175 ARG CD . 25801 1 981 . 1 1 96 96 ARG N N 15 124.110 0.200 . 1 . . . A 175 ARG N . 25801 1 982 . 1 1 97 97 GLN H H 1 7.954 0.020 . 1 . . . A 176 GLN H . 25801 1 983 . 1 1 97 97 GLN HA H 1 4.215 0.020 . 1 . . . A 176 GLN HA . 25801 1 984 . 1 1 97 97 GLN HB2 H 1 1.990 0.020 . 2 . . . A 176 GLN HB2 . 25801 1 985 . 1 1 97 97 GLN HB3 H 1 1.708 0.020 . 2 . . . A 176 GLN HB3 . 25801 1 986 . 1 1 97 97 GLN HG2 H 1 2.305 0.020 . 2 . . . A 176 GLN HG2 . 25801 1 987 . 1 1 97 97 GLN HG3 H 1 2.305 0.020 . 2 . . . A 176 GLN HG3 . 25801 1 988 . 1 1 97 97 GLN HE21 H 1 7.636 0.020 . 2 . . . A 176 GLN HE21 . 25801 1 989 . 1 1 97 97 GLN HE22 H 1 6.961 0.020 . 2 . . . A 176 GLN HE22 . 25801 1 990 . 1 1 97 97 GLN CA C 13 57.106 0.200 . 1 . . . A 176 GLN CA . 25801 1 991 . 1 1 97 97 GLN CB C 13 31.219 0.200 . 1 . . . A 176 GLN CB . 25801 1 992 . 1 1 97 97 GLN CG C 13 34.538 0.200 . 1 . . . A 176 GLN CG . 25801 1 993 . 1 1 97 97 GLN N N 15 127.785 0.200 . 1 . . . A 176 GLN N . 25801 1 994 . 1 1 97 97 GLN NE2 N 15 112.213 0.200 . 1 . . . A 176 GLN NE2 . 25801 1 stop_ save_