data_15988 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15988 _Entry.Title ; TonB2 PROTEIN FROM Vibrio anguillarum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-15 _Entry.Accession_date 2008-10-15 _Entry.Last_release_date 2008-10-16 _Entry.Original_release_date 2008-10-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.0.8.125 _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 Claudia Lopez . S. . . 15988 2 Sean Peacock . R. . . 15988 3 Jorge Crosa . H. . . 15988 4 Hans Vogel . J. . . 15988 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' . 15988 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TonB2-CTD . 15988 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15988 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 279 15988 '15N chemical shifts' 100 15988 '1H chemical shifts' 636 15988 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-02-09 . original BMRB . 15988 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6375 'TonB C-terminal Domain monomer' 15988 PDB 1U07 . 15988 PDB 1XX3 . 15988 PDB 2GRX . 15988 PDB 2GSK . 15988 PDB 2K9K 'BMRB Entry Tracking System' 15988 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15988 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18973471 _Citation.Full_citation . _Citation.Title ; MOLECULAR CHARACTERIZATION OF THE TonB2 PROTEIN FROM Vibrio anguillarum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical Journal' _Citation.Journal_volume 418 _Citation.Journal_issue 1 _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 49 _Citation.Page_last 59 _Citation.Year 2009 _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 Claudia Lopez . S. . . 15988 1 2 Sean Peacock . R. . . 15988 1 3 Jorge Crosa . H. . . 15988 1 4 Hans Vogel . J. . . 15988 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15988 _Assembly.ID 1 _Assembly.Name TonB2-CTD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 TonB-CTD 1 $TonB2-CTD A . yes native no no . . . 15988 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Energy Transduction' 15988 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TonB2-CTD _Entity.Sf_category entity _Entity.Sf_framecode TonB2-CTD _Entity.Entry_ID 15988 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TonB2-CTD _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 ; AHPFTSAPTFGDFGSNQQAM PLYRVEPVYPSRALKRGVEG FVTLSFTIDTTGKAVDINVV DANPKRMFEREAMQALKKWK YQPQIVDGKAIEQPGQTVTV EFKIAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 101-105 are leftover residues of the cleavage product of the expressed protein construct' _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'TonB2 C-terminal Domain from Vibrio Anguillarum' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB AAV48777 . . . . . . . . . . . . . . . . 15988 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Energy Transduction' 15988 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 101 ALA . 15988 1 2 102 HIS . 15988 1 3 103 PRO . 15988 1 4 104 PHE . 15988 1 5 105 THR . 15988 1 6 106 SER . 15988 1 7 107 ALA . 15988 1 8 108 PRO . 15988 1 9 109 THR . 15988 1 10 110 PHE . 15988 1 11 111 GLY . 15988 1 12 112 ASP . 15988 1 13 113 PHE . 15988 1 14 114 GLY . 15988 1 15 115 SER . 15988 1 16 116 ASN . 15988 1 17 117 GLN . 15988 1 18 118 GLN . 15988 1 19 119 ALA . 15988 1 20 120 MET . 15988 1 21 121 PRO . 15988 1 22 122 LEU . 15988 1 23 123 TYR . 15988 1 24 124 ARG . 15988 1 25 125 VAL . 15988 1 26 126 GLU . 15988 1 27 127 PRO . 15988 1 28 128 VAL . 15988 1 29 129 TYR . 15988 1 30 130 PRO . 15988 1 31 131 SER . 15988 1 32 132 ARG . 15988 1 33 133 ALA . 15988 1 34 134 LEU . 15988 1 35 135 LYS . 15988 1 36 136 ARG . 15988 1 37 137 GLY . 15988 1 38 138 VAL . 15988 1 39 139 GLU . 15988 1 40 140 GLY . 15988 1 41 141 PHE . 15988 1 42 142 VAL . 15988 1 43 143 THR . 15988 1 44 144 LEU . 15988 1 45 145 SER . 15988 1 46 146 PHE . 15988 1 47 147 THR . 15988 1 48 148 ILE . 15988 1 49 149 ASP . 15988 1 50 150 THR . 15988 1 51 151 THR . 15988 1 52 152 GLY . 15988 1 53 153 LYS . 15988 1 54 154 ALA . 15988 1 55 155 VAL . 15988 1 56 156 ASP . 15988 1 57 157 ILE . 15988 1 58 158 ASN . 15988 1 59 159 VAL . 15988 1 60 160 VAL . 15988 1 61 161 ASP . 15988 1 62 162 ALA . 15988 1 63 163 ASN . 15988 1 64 164 PRO . 15988 1 65 165 LYS . 15988 1 66 166 ARG . 15988 1 67 167 MET . 15988 1 68 168 PHE . 15988 1 69 169 GLU . 15988 1 70 170 ARG . 15988 1 71 171 GLU . 15988 1 72 172 ALA . 15988 1 73 173 MET . 15988 1 74 174 GLN . 15988 1 75 175 ALA . 15988 1 76 176 LEU . 15988 1 77 177 LYS . 15988 1 78 178 LYS . 15988 1 79 179 TRP . 15988 1 80 180 LYS . 15988 1 81 181 TYR . 15988 1 82 182 GLN . 15988 1 83 183 PRO . 15988 1 84 184 GLN . 15988 1 85 185 ILE . 15988 1 86 186 VAL . 15988 1 87 187 ASP . 15988 1 88 188 GLY . 15988 1 89 189 LYS . 15988 1 90 190 ALA . 15988 1 91 191 ILE . 15988 1 92 192 GLU . 15988 1 93 193 GLN . 15988 1 94 194 PRO . 15988 1 95 195 GLY . 15988 1 96 196 GLN . 15988 1 97 197 THR . 15988 1 98 198 VAL . 15988 1 99 199 THR . 15988 1 100 200 VAL . 15988 1 101 201 GLU . 15988 1 102 202 PHE . 15988 1 103 203 LYS . 15988 1 104 204 ILE . 15988 1 105 205 ALA . 15988 1 106 206 LYS . 15988 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 . ALA 1 1 15988 1 . HIS 2 2 15988 1 . PRO 3 3 15988 1 . PHE 4 4 15988 1 . THR 5 5 15988 1 . SER 6 6 15988 1 . ALA 7 7 15988 1 . PRO 8 8 15988 1 . THR 9 9 15988 1 . PHE 10 10 15988 1 . GLY 11 11 15988 1 . ASP 12 12 15988 1 . PHE 13 13 15988 1 . GLY 14 14 15988 1 . SER 15 15 15988 1 . ASN 16 16 15988 1 . GLN 17 17 15988 1 . GLN 18 18 15988 1 . ALA 19 19 15988 1 . MET 20 20 15988 1 . PRO 21 21 15988 1 . LEU 22 22 15988 1 . TYR 23 23 15988 1 . ARG 24 24 15988 1 . VAL 25 25 15988 1 . GLU 26 26 15988 1 . PRO 27 27 15988 1 . VAL 28 28 15988 1 . TYR 29 29 15988 1 . PRO 30 30 15988 1 . SER 31 31 15988 1 . ARG 32 32 15988 1 . ALA 33 33 15988 1 . LEU 34 34 15988 1 . LYS 35 35 15988 1 . ARG 36 36 15988 1 . GLY 37 37 15988 1 . VAL 38 38 15988 1 . GLU 39 39 15988 1 . GLY 40 40 15988 1 . PHE 41 41 15988 1 . VAL 42 42 15988 1 . THR 43 43 15988 1 . LEU 44 44 15988 1 . SER 45 45 15988 1 . PHE 46 46 15988 1 . THR 47 47 15988 1 . ILE 48 48 15988 1 . ASP 49 49 15988 1 . THR 50 50 15988 1 . THR 51 51 15988 1 . GLY 52 52 15988 1 . LYS 53 53 15988 1 . ALA 54 54 15988 1 . VAL 55 55 15988 1 . ASP 56 56 15988 1 . ILE 57 57 15988 1 . ASN 58 58 15988 1 . VAL 59 59 15988 1 . VAL 60 60 15988 1 . ASP 61 61 15988 1 . ALA 62 62 15988 1 . ASN 63 63 15988 1 . PRO 64 64 15988 1 . LYS 65 65 15988 1 . ARG 66 66 15988 1 . MET 67 67 15988 1 . PHE 68 68 15988 1 . GLU 69 69 15988 1 . ARG 70 70 15988 1 . GLU 71 71 15988 1 . ALA 72 72 15988 1 . MET 73 73 15988 1 . GLN 74 74 15988 1 . ALA 75 75 15988 1 . LEU 76 76 15988 1 . LYS 77 77 15988 1 . LYS 78 78 15988 1 . TRP 79 79 15988 1 . LYS 80 80 15988 1 . TYR 81 81 15988 1 . GLN 82 82 15988 1 . PRO 83 83 15988 1 . GLN 84 84 15988 1 . ILE 85 85 15988 1 . VAL 86 86 15988 1 . ASP 87 87 15988 1 . GLY 88 88 15988 1 . LYS 89 89 15988 1 . ALA 90 90 15988 1 . ILE 91 91 15988 1 . GLU 92 92 15988 1 . GLN 93 93 15988 1 . PRO 94 94 15988 1 . GLY 95 95 15988 1 . GLN 96 96 15988 1 . THR 97 97 15988 1 . VAL 98 98 15988 1 . THR 99 99 15988 1 . VAL 100 100 15988 1 . GLU 101 101 15988 1 . PHE 102 102 15988 1 . LYS 103 103 15988 1 . ILE 104 104 15988 1 . ALA 105 105 15988 1 . LYS 106 106 15988 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 15988 _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 $TonB2-CTD . 55601 organism . 'Vibrio Anguillarum' 'Listonella Anguillarum' . . Bacteria . Vibrio Anguillarum . . . . . . . . . . . . . 15988 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 15988 _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 $TonB2-CTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET200 . . . 15988 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15988 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TonB2-CTD '[U-100% 13C; U-100% 15N]' . . 1 $TonB2-CTD . . 0.5 . . mM . . . . 15988 1 2 D2O 'natural abundance' . . . . . . 90 . . % . . . . 15988 1 3 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 15988 1 4 H2O 'natural abundance' . . . . . . 10 . . mM . . . . 15988 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 15988 _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' 100 . mM 15988 1 pH 7 . pH 15988 1 pressure 1 . atm 15988 1 temperature 298 . K 15988 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15988 _Software.ID 1 _Software.Name CYANA _Software.Version 102.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15988 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15988 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15988 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15988 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 15988 _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 . 500 . . . 15988 1 2 spectrometer_2 Bruker Avance . 700 . . . 15988 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 15988 _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 . . . . . . . . . . . . . . . . . . . . . 15988 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15988 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15988 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15988 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15988 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15988 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15988 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15988 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15988 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15988 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15988 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15988 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 15988 _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 . indirect 0.251449530 . . . . . 15988 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 15988 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 15988 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_assignments_tonb2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_tonb2 _Assigned_chem_shift_list.Entry_ID 15988 _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' . . . 15988 1 3 '3D CBCA(CO)NH' . . . 15988 1 4 '3D C(CO)NH' . . . 15988 1 5 '3D HNCO' . . . 15988 1 8 '3D HBHA(CO)NH' . . . 15988 1 9 '3D H(CCO)NH' . . . 15988 1 11 '3D 1H-15N NOESY' . . . 15988 1 12 '3D 1H-13C NOESY' . . . 15988 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 PHE H H 1 8.600 0.04 . 1 . . . . 104 PHE HN . 15988 1 2 . 1 1 4 4 PHE CA C 13 56.720 0.50 . 1 . . . . 104 PHE CA . 15988 1 3 . 1 1 4 4 PHE CB C 13 40.430 0.50 . 1 . . . . 104 PHE CB . 15988 1 4 . 1 1 4 4 PHE N N 15 130.720 0.50 . 1 . . . . 104 PHE N . 15988 1 5 . 1 1 5 5 THR H H 1 8.890 0.04 . 1 . . . . 105 THR HN . 15988 1 6 . 1 1 5 5 THR CA C 13 61.630 0.50 . 1 . . . . 105 THR CA . 15988 1 7 . 1 1 5 5 THR CB C 13 71.354 0.50 . 1 . . . . 105 THR CB . 15988 1 8 . 1 1 5 5 THR N N 15 117.580 0.50 . 1 . . . . 105 THR N . 15988 1 9 . 1 1 6 6 SER H H 1 7.550 0.04 . 1 . . . . 106 SER HN . 15988 1 10 . 1 1 6 6 SER CA C 13 57.580 0.50 . 1 . . . . 106 SER CA . 15988 1 11 . 1 1 6 6 SER CB C 13 69.713 0.50 . 1 . . . . 106 SER CB . 15988 1 12 . 1 1 6 6 SER N N 15 117.900 0.50 . 1 . . . . 106 SER N . 15988 1 13 . 1 1 7 7 ALA H H 1 7.900 0.04 . 1 . . . . 107 ALA HN . 15988 1 14 . 1 1 7 7 ALA CA C 13 54.630 0.50 . 1 . . . . 107 ALA CA . 15988 1 15 . 1 1 7 7 ALA CB C 13 19.300 0.50 . 1 . . . . 107 ALA CB . 15988 1 16 . 1 1 7 7 ALA N N 15 125.440 0.50 . 1 . . . . 107 ALA N . 15988 1 17 . 1 1 9 9 THR H H 1 8.760 0.04 . 1 . . . . 109 THR HN . 15988 1 18 . 1 1 9 9 THR HA H 1 3.942 0.04 . 1 . . . . 109 THR HA . 15988 1 19 . 1 1 9 9 THR HB H 1 3.942 0.04 . 1 . . . . 109 THR HB . 15988 1 20 . 1 1 9 9 THR CA C 13 58.500 0.50 . 1 . . . . 109 THR CA . 15988 1 21 . 1 1 9 9 THR CB C 13 67.090 0.50 . 1 . . . . 109 THR CB . 15988 1 22 . 1 1 9 9 THR N N 15 122.410 0.50 . 1 . . . . 109 THR N . 15988 1 23 . 1 1 10 10 PHE H H 1 8.270 0.04 . 1 . . . . 110 PHE HN . 15988 1 24 . 1 1 10 10 PHE HA H 1 4.696 0.04 . 1 . . . . 110 PHE HA . 15988 1 25 . 1 1 10 10 PHE HB2 H 1 3.096 0.04 . 2 . . . . 110 PHE HB2 . 15988 1 26 . 1 1 10 10 PHE CA C 13 58.360 0.50 . 1 . . . . 110 PHE CA . 15988 1 27 . 1 1 10 10 PHE CB C 13 40.340 0.50 . 1 . . . . 110 PHE CB . 15988 1 28 . 1 1 10 10 PHE N N 15 121.940 0.50 . 1 . . . . 110 PHE N . 15988 1 29 . 1 1 11 11 GLY H H 1 8.260 0.04 . 1 . . . . 111 GLY HN . 15988 1 30 . 1 1 11 11 GLY HA2 H 1 3.817 0.04 . 2 . . . . 111 GLY HA1 . 15988 1 31 . 1 1 11 11 GLY HA3 H 1 3.817 0.04 . 2 . . . . 111 GLY HA2 . 15988 1 32 . 1 1 11 11 GLY CA C 13 45.700 0.50 . 1 . . . . 111 GLY CA . 15988 1 33 . 1 1 11 11 GLY N N 15 110.520 0.50 . 1 . . . . 111 GLY N . 15988 1 34 . 1 1 12 12 ASP H H 1 8.100 0.04 . 1 . . . . 112 ASP HN . 15988 1 35 . 1 1 12 12 ASP HA H 1 4.554 0.04 . 1 . . . . 112 ASP HA . 15988 1 36 . 1 1 12 12 ASP HB2 H 1 2.525 0.04 . 2 . . . . 112 ASP HB2 . 15988 1 37 . 1 1 12 12 ASP CA C 13 54.830 0.50 . 1 . . . . 112 ASP CA . 15988 1 38 . 1 1 12 12 ASP CB C 13 41.900 0.50 . 1 . . . . 112 ASP CB . 15988 1 39 . 1 1 12 12 ASP N N 15 120.410 0.50 . 1 . . . . 112 ASP N . 15988 1 40 . 1 1 13 13 PHE H H 1 8.310 0.04 . 1 . . . . 113 PHE HN . 15988 1 41 . 1 1 13 13 PHE HA H 1 4.500 0.04 . 1 . . . . 113 PHE HA . 15988 1 42 . 1 1 13 13 PHE HB2 H 1 3.059 0.04 . 2 . . . . 113 PHE HB1 . 15988 1 43 . 1 1 13 13 PHE HB3 H 1 3.330 0.04 . 2 . . . . 113 PHE HB2 . 15988 1 44 . 1 1 13 13 PHE CA C 13 58.580 0.50 . 1 . . . . 113 PHE CA . 15988 1 45 . 1 1 13 13 PHE CB C 13 40.090 0.50 . 1 . . . . 113 PHE CB . 15988 1 46 . 1 1 13 13 PHE N N 15 121.050 0.50 . 1 . . . . 113 PHE N . 15988 1 47 . 1 1 14 14 GLY H H 1 8.400 0.04 . 1 . . . . 114 GLY HN . 15988 1 48 . 1 1 14 14 GLY HA2 H 1 3.881 0.04 . 2 . . . . 114 GLY HA1 . 15988 1 49 . 1 1 14 14 GLY HA3 H 1 3.881 0.04 . 2 . . . . 114 GLY HA2 . 15988 1 50 . 1 1 14 14 GLY CA C 13 46.200 0.50 . 1 . . . . 114 GLY CA . 15988 1 51 . 1 1 14 14 GLY N N 15 110.160 0.50 . 1 . . . . 114 GLY N . 15988 1 52 . 1 1 15 15 SER H H 1 8.210 0.04 . 1 . . . . 115 SER HN . 15988 1 53 . 1 1 15 15 SER HA H 1 4.330 0.04 . 1 . . . . 115 SER HA . 15988 1 54 . 1 1 15 15 SER HB2 H 1 3.785 0.04 . 2 . . . . 115 SER HB2 . 15988 1 55 . 1 1 15 15 SER CA C 13 58.900 0.50 . 1 . . . . 115 SER CA . 15988 1 56 . 1 1 15 15 SER CB C 13 64.400 0.50 . 1 . . . . 115 SER CB . 15988 1 57 . 1 1 15 15 SER N N 15 115.660 0.50 . 1 . . . . 115 SER N . 15988 1 58 . 1 1 16 16 ASN H H 1 8.480 0.04 . 1 . . . . 116 ASN HN . 15988 1 59 . 1 1 16 16 ASN HA H 1 4.801 0.04 . 1 . . . . 116 ASN HA . 15988 1 60 . 1 1 16 16 ASN HB2 H 1 2.813 0.04 . 2 . . . . 116 ASN HB1 . 15988 1 61 . 1 1 16 16 ASN HB3 H 1 2.813 0.04 . 2 . . . . 116 ASN HB2 . 15988 1 62 . 1 1 16 16 ASN HD21 H 1 7.594 0.04 . 2 . . . . 116 ASN HD21 . 15988 1 63 . 1 1 16 16 ASN HD22 H 1 6.953 0.04 . 2 . . . . 116 ASN HD22 . 15988 1 64 . 1 1 16 16 ASN CA C 13 53.830 0.50 . 1 . . . . 116 ASN CA . 15988 1 65 . 1 1 16 16 ASN CB C 13 39.610 0.50 . 1 . . . . 116 ASN CB . 15988 1 66 . 1 1 16 16 ASN N N 15 120.550 0.50 . 1 . . . . 116 ASN N . 15988 1 67 . 1 1 16 16 ASN ND2 N 15 112.840 0.50 . 1 . . . . 116 ASN ND2 . 15988 1 68 . 1 1 17 17 GLN H H 1 8.400 0.04 . 1 . . . . 117 GLN HN . 15988 1 69 . 1 1 17 17 GLN HA H 1 4.297 0.04 . 1 . . . . 117 GLN HA . 15988 1 70 . 1 1 17 17 GLN HB2 H 1 1.979 0.04 . 2 . . . . 117 GLN HB1 . 15988 1 71 . 1 1 17 17 GLN HB3 H 1 1.979 0.04 . 2 . . . . 117 GLN HB2 . 15988 1 72 . 1 1 17 17 GLN HG2 H 1 2.328 0.04 . 2 . . . . 117 GLN HG1 . 15988 1 73 . 1 1 17 17 GLN HG3 H 1 2.328 0.04 . 2 . . . . 117 GLN HG2 . 15988 1 74 . 1 1 17 17 GLN CA C 13 56.676 0.50 . 1 . . . . 117 GLN CA . 15988 1 75 . 1 1 17 17 GLN CB C 13 29.885 0.50 . 1 . . . . 117 GLN CB . 15988 1 76 . 1 1 17 17 GLN N N 15 120.760 0.50 . 1 . . . . 117 GLN N . 15988 1 77 . 1 1 18 18 GLN H H 1 8.429 0.04 . 1 . . . . 118 GLN HN . 15988 1 78 . 1 1 18 18 GLN HA H 1 4.479 0.04 . 1 . . . . 118 GLN HA . 15988 1 79 . 1 1 18 18 GLN HB2 H 1 2.095 0.04 . 2 . . . . 118 GLN HB1 . 15988 1 80 . 1 1 18 18 GLN HB3 H 1 2.095 0.04 . 2 . . . . 118 GLN HB2 . 15988 1 81 . 1 1 18 18 GLN HG2 H 1 2.413 0.04 . 2 . . . . 118 GLN HG1 . 15988 1 82 . 1 1 18 18 GLN HG3 H 1 2.413 0.04 . 2 . . . . 118 GLN HG2 . 15988 1 83 . 1 1 18 18 GLN CA C 13 56.322 0.50 . 1 . . . . 118 GLN CA . 15988 1 84 . 1 1 18 18 GLN CB C 13 30.045 0.50 . 1 . . . . 118 GLN CB . 15988 1 85 . 1 1 18 18 GLN N N 15 122.120 0.50 . 1 . . . . 118 GLN N . 15988 1 86 . 1 1 19 19 ALA H H 1 8.672 0.04 . 1 . . . . 119 ALA HN . 15988 1 87 . 1 1 19 19 ALA HA H 1 4.420 0.04 . 1 . . . . 119 ALA HA . 15988 1 88 . 1 1 19 19 ALA HB1 H 1 1.393 0.04 . 1 . . . . 119 ALA HB1 . 15988 1 89 . 1 1 19 19 ALA HB2 H 1 1.393 0.04 . 1 . . . . 119 ALA HB1 . 15988 1 90 . 1 1 19 19 ALA HB3 H 1 1.393 0.04 . 1 . . . . 119 ALA HB1 . 15988 1 91 . 1 1 19 19 ALA CA C 13 52.603 0.50 . 1 . . . . 119 ALA CA . 15988 1 92 . 1 1 19 19 ALA CB C 13 20.410 0.50 . 1 . . . . 119 ALA CB . 15988 1 93 . 1 1 19 19 ALA N N 15 127.088 0.50 . 1 . . . . 119 ALA N . 15988 1 94 . 1 1 20 20 MET H H 1 8.807 0.04 . 1 . . . . 120 MET HN . 15988 1 95 . 1 1 20 20 MET HA H 1 5.150 0.04 . 1 . . . . 120 MET HA . 15988 1 96 . 1 1 20 20 MET HB2 H 1 2.044 0.04 . 2 . . . . 120 MET HB1 . 15988 1 97 . 1 1 20 20 MET HB3 H 1 2.044 0.04 . 2 . . . . 120 MET HB2 . 15988 1 98 . 1 1 20 20 MET HE1 H 1 0.764 0.04 . 1 . . . . 120 MET HE1 . 15988 1 99 . 1 1 20 20 MET HE2 H 1 0.764 0.04 . 1 . . . . 120 MET HE1 . 15988 1 100 . 1 1 20 20 MET HE3 H 1 0.764 0.04 . 1 . . . . 120 MET HE1 . 15988 1 101 . 1 1 20 20 MET HG2 H 1 2.600 0.04 . 2 . . . . 120 MET HG1 . 15988 1 102 . 1 1 20 20 MET HG3 H 1 2.600 0.04 . 2 . . . . 120 MET HG2 . 15988 1 103 . 1 1 20 20 MET CA C 13 52.876 0.50 . 1 . . . . 120 MET CA . 15988 1 104 . 1 1 20 20 MET CB C 13 33.728 0.50 . 1 . . . . 120 MET CB . 15988 1 105 . 1 1 20 20 MET CE C 13 17.680 0.50 . 1 . . . . 120 MET CE . 15988 1 106 . 1 1 20 20 MET CG C 13 32.446 0.50 . 1 . . . . 120 MET CG . 15988 1 107 . 1 1 20 20 MET N N 15 122.332 0.50 . 1 . . . . 120 MET N . 15988 1 108 . 1 1 21 21 PRO HA H 1 3.780 0.04 . 1 . . . . 121 PRO HA . 15988 1 109 . 1 1 21 21 PRO HB2 H 1 1.260 0.04 . 2 . . . . 121 PRO HB1 . 15988 1 110 . 1 1 21 21 PRO HB3 H 1 1.260 0.04 . 2 . . . . 121 PRO HB2 . 15988 1 111 . 1 1 21 21 PRO HD2 H 1 3.731 0.04 . 2 . . . . 121 PRO HD1 . 15988 1 112 . 1 1 21 21 PRO HD3 H 1 3.996 0.04 . 2 . . . . 121 PRO HD2 . 15988 1 113 . 1 1 21 21 PRO HG2 H 1 1.456 0.04 . 2 . . . . 121 PRO HG1 . 15988 1 114 . 1 1 21 21 PRO HG3 H 1 1.639 0.04 . 2 . . . . 121 PRO HG2 . 15988 1 115 . 1 1 21 21 PRO CA C 13 63.620 0.50 . 1 . . . . 121 PRO CA . 15988 1 116 . 1 1 21 21 PRO CB C 13 31.300 0.50 . 1 . . . . 121 PRO CB . 15988 1 117 . 1 1 21 21 PRO CD C 13 51.197 0.50 . 1 . . . . 121 PRO CD . 15988 1 118 . 1 1 21 21 PRO CG C 13 27.524 0.50 . 1 . . . . 121 PRO CG . 15988 1 119 . 1 1 22 22 LEU H H 1 8.820 0.04 . 1 . . . . 122 LEU HN . 15988 1 120 . 1 1 22 22 LEU HA H 1 4.190 0.04 . 1 . . . . 122 LEU HA . 15988 1 121 . 1 1 22 22 LEU HB2 H 1 1.455 0.04 . 2 . . . . 122 LEU HB1 . 15988 1 122 . 1 1 22 22 LEU HB3 H 1 1.455 0.04 . 2 . . . . 122 LEU HB2 . 15988 1 123 . 1 1 22 22 LEU HD11 H 1 0.888 0.04 . 4 . . . . 122 LEU HD11 . 15988 1 124 . 1 1 22 22 LEU HD12 H 1 0.888 0.04 . 4 . . . . 122 LEU HD11 . 15988 1 125 . 1 1 22 22 LEU HD13 H 1 0.888 0.04 . 4 . . . . 122 LEU HD11 . 15988 1 126 . 1 1 22 22 LEU HD21 H 1 0.888 0.04 . 4 . . . . 122 LEU HD21 . 15988 1 127 . 1 1 22 22 LEU HD22 H 1 0.888 0.04 . 4 . . . . 122 LEU HD21 . 15988 1 128 . 1 1 22 22 LEU HD23 H 1 0.888 0.04 . 4 . . . . 122 LEU HD21 . 15988 1 129 . 1 1 22 22 LEU HG H 1 0.840 0.04 . 1 . . . . 122 LEU HG . 15988 1 130 . 1 1 22 22 LEU CA C 13 56.527 0.50 . 1 . . . . 122 LEU CA . 15988 1 131 . 1 1 22 22 LEU CB C 13 43.756 0.50 . 1 . . . . 122 LEU CB . 15988 1 132 . 1 1 22 22 LEU CD1 C 13 23.539 0.50 . 2 . . . . 122 LEU CD1 . 15988 1 133 . 1 1 22 22 LEU CD2 C 13 23.539 0.50 . 2 . . . . 122 LEU CD2 . 15988 1 134 . 1 1 22 22 LEU CG C 13 25.649 0.50 . 1 . . . . 122 LEU CG . 15988 1 135 . 1 1 22 22 LEU N N 15 122.530 0.50 . 1 . . . . 122 LEU N . 15988 1 136 . 1 1 23 23 TYR H H 1 7.550 0.04 . 1 . . . . 123 TYR HN . 15988 1 137 . 1 1 23 23 TYR HA H 1 4.527 0.04 . 1 . . . . 123 TYR HA . 15988 1 138 . 1 1 23 23 TYR HB2 H 1 2.598 0.04 . 2 . . . . 123 TYR HB1 . 15988 1 139 . 1 1 23 23 TYR HB3 H 1 2.942 0.04 . 2 . . . . 123 TYR HB2 . 15988 1 140 . 1 1 23 23 TYR HD1 H 1 7.105 0.04 . 3 . . . . 123 TYR HD1 . 15988 1 141 . 1 1 23 23 TYR HE1 H 1 6.775 0.04 . 3 . . . . 123 TYR HE1 . 15988 1 142 . 1 1 23 23 TYR CA C 13 57.806 0.50 . 1 . . . . 123 TYR CA . 15988 1 143 . 1 1 23 23 TYR CB C 13 42.036 0.50 . 1 . . . . 123 TYR CB . 15988 1 144 . 1 1 23 23 TYR N N 15 117.900 0.50 . 1 . . . . 123 TYR N . 15988 1 145 . 1 1 24 24 ARG H H 1 7.900 0.04 . 1 . . . . 124 ARG HN . 15988 1 146 . 1 1 24 24 ARG HA H 1 3.180 0.04 . 1 . . . . 124 ARG HA . 15988 1 147 . 1 1 24 24 ARG HB2 H 1 0.257 0.04 . 2 . . . . 124 ARG HB1 . 15988 1 148 . 1 1 24 24 ARG HB3 H 1 0.566 0.04 . 2 . . . . 124 ARG HB2 . 15988 1 149 . 1 1 24 24 ARG HD2 H 1 2.527 0.04 . 2 . . . . 124 ARG HD1 . 15988 1 150 . 1 1 24 24 ARG HD3 H 1 2.228 0.04 . 2 . . . . 124 ARG HD2 . 15988 1 151 . 1 1 24 24 ARG HG2 H 1 0.302 0.04 . 2 . . . . 124 ARG HG1 . 15988 1 152 . 1 1 24 24 ARG HG3 H 1 0.081 0.04 . 2 . . . . 124 ARG HG2 . 15988 1 153 . 1 1 24 24 ARG CA C 13 54.244 0.50 . 1 . . . . 124 ARG CA . 15988 1 154 . 1 1 24 24 ARG CB C 13 33.232 0.50 . 1 . . . . 124 ARG CB . 15988 1 155 . 1 1 24 24 ARG CD C 13 43.462 0.50 . 1 . . . . 124 ARG CD . 15988 1 156 . 1 1 24 24 ARG CG C 13 26.352 0.50 . 1 . . . . 124 ARG CG . 15988 1 157 . 1 1 24 24 ARG N N 15 125.440 0.50 . 1 . . . . 124 ARG N . 15988 1 158 . 1 1 25 25 VAL HA H 1 4.125 0.04 . 1 . . . . 125 VAL HA . 15988 1 159 . 1 1 25 25 VAL HB H 1 1.954 0.04 . 1 . . . . 125 VAL HB . 15988 1 160 . 1 1 25 25 VAL HG21 H 1 0.922 0.04 . 4 . . . . 125 VAL HG21 . 15988 1 161 . 1 1 25 25 VAL HG22 H 1 0.922 0.04 . 4 . . . . 125 VAL HG21 . 15988 1 162 . 1 1 25 25 VAL HG23 H 1 0.922 0.04 . 4 . . . . 125 VAL HG21 . 15988 1 163 . 1 1 25 25 VAL CA C 13 60.896 0.50 . 1 . . . . 125 VAL CA . 15988 1 164 . 1 1 25 25 VAL CB C 13 35.297 0.50 . 1 . . . . 125 VAL CB . 15988 1 165 . 1 1 25 25 VAL CG2 C 13 22.133 0.50 . 2 . . . . 125 VAL CG2 . 15988 1 166 . 1 1 26 26 GLU H H 1 8.641 0.04 . 1 . . . . 126 GLU HN . 15988 1 167 . 1 1 26 26 GLU HA H 1 4.511 0.04 . 1 . . . . 126 GLU HA . 15988 1 168 . 1 1 26 26 GLU HB2 H 1 2.082 0.04 . 2 . . . . 126 GLU HB1 . 15988 1 169 . 1 1 26 26 GLU HB3 H 1 1.790 0.04 . 2 . . . . 126 GLU HB2 . 15988 1 170 . 1 1 26 26 GLU HG2 H 1 2.389 0.04 . 2 . . . . 126 GLU HG1 . 15988 1 171 . 1 1 26 26 GLU HG3 H 1 2.284 0.04 . 2 . . . . 126 GLU HG2 . 15988 1 172 . 1 1 26 26 GLU CA C 13 54.478 0.50 . 1 . . . . 126 GLU CA . 15988 1 173 . 1 1 26 26 GLU CB C 13 29.130 0.50 . 1 . . . . 126 GLU CB . 15988 1 174 . 1 1 26 26 GLU CG C 13 36.195 0.50 . 1 . . . . 126 GLU CG . 15988 1 175 . 1 1 26 26 GLU N N 15 125.737 0.50 . 1 . . . . 126 GLU N . 15988 1 176 . 1 1 27 27 PRO HA H 1 4.450 0.04 . 1 . . . . 127 PRO HA . 15988 1 177 . 1 1 27 27 PRO HB2 H 1 1.612 0.04 . 2 . . . . 127 PRO HB1 . 15988 1 178 . 1 1 27 27 PRO HB3 H 1 1.925 0.04 . 2 . . . . 127 PRO HB2 . 15988 1 179 . 1 1 27 27 PRO HD2 H 1 3.470 0.04 . 2 . . . . 127 PRO HD1 . 15988 1 180 . 1 1 27 27 PRO HD3 H 1 3.730 0.04 . 2 . . . . 127 PRO HD2 . 15988 1 181 . 1 1 27 27 PRO HG2 H 1 1.220 0.04 . 2 . . . . 127 PRO HG1 . 15988 1 182 . 1 1 27 27 PRO HG3 H 1 1.480 0.04 . 2 . . . . 127 PRO HG2 . 15988 1 183 . 1 1 27 27 PRO CA C 13 62.534 0.50 . 1 . . . . 127 PRO CA . 15988 1 184 . 1 1 27 27 PRO CB C 13 32.693 0.50 . 1 . . . . 127 PRO CB . 15988 1 185 . 1 1 27 27 PRO CD C 13 50.490 0.50 . 1 . . . . 127 PRO CD . 15988 1 186 . 1 1 27 27 PRO CG C 13 27.760 0.50 . 1 . . . . 127 PRO CG . 15988 1 187 . 1 1 28 28 VAL H H 1 8.489 0.04 . 1 . . . . 128 VAL HN . 15988 1 188 . 1 1 28 28 VAL HA H 1 3.851 0.04 . 1 . . . . 128 VAL HA . 15988 1 189 . 1 1 28 28 VAL HB H 1 1.965 0.04 . 1 . . . . 128 VAL HB . 15988 1 190 . 1 1 28 28 VAL HG11 H 1 0.960 0.04 . 4 . . . . 128 VAL HG11 . 15988 1 191 . 1 1 28 28 VAL HG12 H 1 0.960 0.04 . 4 . . . . 128 VAL HG11 . 15988 1 192 . 1 1 28 28 VAL HG13 H 1 0.960 0.04 . 4 . . . . 128 VAL HG11 . 15988 1 193 . 1 1 28 28 VAL HG21 H 1 0.960 0.04 . 4 . . . . 128 VAL HG21 . 15988 1 194 . 1 1 28 28 VAL HG22 H 1 0.960 0.04 . 4 . . . . 128 VAL HG21 . 15988 1 195 . 1 1 28 28 VAL HG23 H 1 0.960 0.04 . 4 . . . . 128 VAL HG21 . 15988 1 196 . 1 1 28 28 VAL CA C 13 63.298 0.50 . 1 . . . . 128 VAL CA . 15988 1 197 . 1 1 28 28 VAL CB C 13 33.076 0.50 . 1 . . . . 128 VAL CB . 15988 1 198 . 1 1 28 28 VAL CG1 C 13 23.773 0.50 . 2 . . . . 128 VAL CG1 . 15988 1 199 . 1 1 28 28 VAL CG2 C 13 23.773 0.50 . 2 . . . . 128 VAL CG2 . 15988 1 200 . 1 1 28 28 VAL N N 15 124.164 0.50 . 1 . . . . 128 VAL N . 15988 1 201 . 1 1 29 29 TYR H H 1 8.582 0.04 . 1 . . . . 129 TYR HN . 15988 1 202 . 1 1 29 29 TYR HA H 1 4.749 0.04 . 1 . . . . 129 TYR HA . 15988 1 203 . 1 1 29 29 TYR HB2 H 1 3.001 0.04 . 2 . . . . 129 TYR HB1 . 15988 1 204 . 1 1 29 29 TYR HB3 H 1 3.383 0.04 . 2 . . . . 129 TYR HB2 . 15988 1 205 . 1 1 29 29 TYR HD1 H 1 7.279 0.04 . 3 . . . . 129 TYR HD1 . 15988 1 206 . 1 1 29 29 TYR HE1 H 1 6.775 0.04 . 3 . . . . 129 TYR HE1 . 15988 1 207 . 1 1 29 29 TYR CA C 13 56.867 0.50 . 1 . . . . 129 TYR CA . 15988 1 208 . 1 1 29 29 TYR CB C 13 40.417 0.50 . 1 . . . . 129 TYR CB . 15988 1 209 . 1 1 29 29 TYR N N 15 130.785 0.50 . 1 . . . . 129 TYR N . 15988 1 210 . 1 1 30 30 PRO HA H 1 4.406 0.04 . 1 . . . . 130 PRO HA . 15988 1 211 . 1 1 30 30 PRO HD2 H 1 3.558 0.04 . 2 . . . . 130 PRO HD1 . 15988 1 212 . 1 1 30 30 PRO HD3 H 1 4.311 0.04 . 2 . . . . 130 PRO HD2 . 15988 1 213 . 1 1 30 30 PRO HG2 H 1 2.020 0.04 . 2 . . . . 130 PRO HG1 . 15988 1 214 . 1 1 30 30 PRO HG3 H 1 2.020 0.04 . 2 . . . . 130 PRO HG2 . 15988 1 215 . 1 1 30 30 PRO CA C 13 63.619 0.50 . 1 . . . . 130 PRO CA . 15988 1 216 . 1 1 30 30 PRO CD C 13 51.197 0.50 . 1 . . . . 130 PRO CD . 15988 1 217 . 1 1 30 30 PRO CG C 13 28.227 0.50 . 1 . . . . 130 PRO CG . 15988 1 218 . 1 1 31 31 SER HA H 1 4.577 0.04 . 1 . . . . 131 SER HA . 15988 1 219 . 1 1 31 31 SER HB2 H 1 3.003 0.04 . 2 . . . . 131 SER HB1 . 15988 1 220 . 1 1 31 31 SER HB3 H 1 3.195 0.04 . 2 . . . . 131 SER HB2 . 15988 1 221 . 1 1 31 31 SER CA C 13 58.463 0.50 . 1 . . . . 131 SER CA . 15988 1 222 . 1 1 31 31 SER CB C 13 69.713 0.50 . 1 . . . . 131 SER CB . 15988 1 223 . 1 1 32 32 ARG HA H 1 4.075 0.04 . 1 . . . . 132 ARG HA . 15988 1 224 . 1 1 32 32 ARG HB2 H 1 1.738 0.04 . 2 . . . . 132 ARG HB2 . 15988 1 225 . 1 1 32 32 ARG CA C 13 59.617 0.50 . 1 . . . . 132 ARG CA . 15988 1 226 . 1 1 32 32 ARG CB C 13 30.047 0.50 . 1 . . . . 132 ARG CB . 15988 1 227 . 1 1 33 33 ALA H H 1 6.960 0.04 . 1 . . . . 133 ALA HN . 15988 1 228 . 1 1 33 33 ALA HA H 1 4.086 0.04 . 1 . . . . 133 ALA HA . 15988 1 229 . 1 1 33 33 ALA HB1 H 1 1.605 0.04 . 1 . . . . 133 ALA HB1 . 15988 1 230 . 1 1 33 33 ALA HB2 H 1 1.605 0.04 . 1 . . . . 133 ALA HB1 . 15988 1 231 . 1 1 33 33 ALA HB3 H 1 1.605 0.04 . 1 . . . . 133 ALA HB1 . 15988 1 232 . 1 1 33 33 ALA CA C 13 54.840 0.50 . 1 . . . . 133 ALA CA . 15988 1 233 . 1 1 33 33 ALA CB C 13 20.600 0.50 . 1 . . . . 133 ALA CB . 15988 1 234 . 1 1 33 33 ALA N N 15 119.650 0.50 . 1 . . . . 133 ALA N . 15988 1 235 . 1 1 34 34 LEU H H 1 8.270 0.04 . 1 . . . . 134 LEU HN . 15988 1 236 . 1 1 34 34 LEU HA H 1 3.850 0.04 . 1 . . . . 134 LEU HA . 15988 1 237 . 1 1 34 34 LEU HB2 H 1 1.558 0.04 . 2 . . . . 134 LEU HB1 . 15988 1 238 . 1 1 34 34 LEU HB3 H 1 1.696 0.04 . 2 . . . . 134 LEU HB2 . 15988 1 239 . 1 1 34 34 LEU HD11 H 1 0.625 0.04 . 4 . . . . 134 LEU HD11 . 15988 1 240 . 1 1 34 34 LEU HD12 H 1 0.625 0.04 . 4 . . . . 134 LEU HD11 . 15988 1 241 . 1 1 34 34 LEU HD13 H 1 0.625 0.04 . 4 . . . . 134 LEU HD11 . 15988 1 242 . 1 1 34 34 LEU HD21 H 1 0.533 0.04 . 4 . . . . 134 LEU HD21 . 15988 1 243 . 1 1 34 34 LEU HD22 H 1 0.533 0.04 . 4 . . . . 134 LEU HD21 . 15988 1 244 . 1 1 34 34 LEU HD23 H 1 0.533 0.04 . 4 . . . . 134 LEU HD21 . 15988 1 245 . 1 1 34 34 LEU CA C 13 58.697 0.50 . 1 . . . . 134 LEU CA . 15988 1 246 . 1 1 34 34 LEU CB C 13 42.525 0.50 . 1 . . . . 134 LEU CB . 15988 1 247 . 1 1 34 34 LEU CD1 C 13 24.945 0.50 . 2 . . . . 134 LEU CD1 . 15988 1 248 . 1 1 34 34 LEU CD2 C 13 24.008 0.50 . 2 . . . . 134 LEU CD2 . 15988 1 249 . 1 1 34 34 LEU N N 15 120.360 0.50 . 1 . . . . 134 LEU N . 15988 1 250 . 1 1 35 35 LYS H H 1 8.230 0.04 . 1 . . . . 135 LYS HN . 15988 1 251 . 1 1 35 35 LYS HA H 1 4.026 0.04 . 1 . . . . 135 LYS HA . 15988 1 252 . 1 1 35 35 LYS HB2 H 1 1.880 0.04 . 2 . . . . 135 LYS HB1 . 15988 1 253 . 1 1 35 35 LYS HB3 H 1 1.880 0.04 . 2 . . . . 135 LYS HB2 . 15988 1 254 . 1 1 35 35 LYS HG2 H 1 1.427 0.04 . 2 . . . . 135 LYS HG1 . 15988 1 255 . 1 1 35 35 LYS HG3 H 1 1.599 0.04 . 2 . . . . 135 LYS HG2 . 15988 1 256 . 1 1 35 35 LYS CA C 13 59.430 0.50 . 1 . . . . 135 LYS CA . 15988 1 257 . 1 1 35 35 LYS CB C 13 33.020 0.50 . 1 . . . . 135 LYS CB . 15988 1 258 . 1 1 35 35 LYS CG C 13 26.821 0.50 . 1 . . . . 135 LYS CG . 15988 1 259 . 1 1 35 35 LYS N N 15 117.370 0.50 . 1 . . . . 135 LYS N . 15988 1 260 . 1 1 36 36 ARG H H 1 7.150 0.04 . 1 . . . . 136 ARG HN . 15988 1 261 . 1 1 36 36 ARG HA H 1 4.422 0.04 . 1 . . . . 136 ARG HA . 15988 1 262 . 1 1 36 36 ARG HB2 H 1 1.668 0.04 . 2 . . . . 136 ARG HB1 . 15988 1 263 . 1 1 36 36 ARG HB3 H 1 2.133 0.04 . 2 . . . . 136 ARG HB2 . 15988 1 264 . 1 1 36 36 ARG HD2 H 1 3.143 0.04 . 2 . . . . 136 ARG HD1 . 15988 1 265 . 1 1 36 36 ARG HD3 H 1 3.143 0.04 . 2 . . . . 136 ARG HD2 . 15988 1 266 . 1 1 36 36 ARG CA C 13 56.130 0.50 . 1 . . . . 136 ARG CA . 15988 1 267 . 1 1 36 36 ARG CB C 13 32.540 0.50 . 1 . . . . 136 ARG CB . 15988 1 268 . 1 1 36 36 ARG CD C 13 43.697 0.50 . 1 . . . . 136 ARG CD . 15988 1 269 . 1 1 36 36 ARG N N 15 114.880 0.50 . 1 . . . . 136 ARG N . 15988 1 270 . 1 1 37 37 GLY H H 1 7.920 0.04 . 1 . . . . 137 GLY HN . 15988 1 271 . 1 1 37 37 GLY HA2 H 1 3.635 0.04 . 2 . . . . 137 GLY HA1 . 15988 1 272 . 1 1 37 37 GLY HA3 H 1 3.963 0.04 . 2 . . . . 137 GLY HA2 . 15988 1 273 . 1 1 37 37 GLY CA C 13 46.978 0.50 . 1 . . . . 137 GLY CA . 15988 1 274 . 1 1 37 37 GLY N N 15 110.550 0.50 . 1 . . . . 137 GLY N . 15988 1 275 . 1 1 38 38 VAL H H 1 8.270 0.04 . 1 . . . . 138 VAL HN . 15988 1 276 . 1 1 38 38 VAL HA H 1 4.018 0.04 . 1 . . . . 138 VAL HA . 15988 1 277 . 1 1 38 38 VAL HB H 1 1.900 0.04 . 1 . . . . 138 VAL HB . 15988 1 278 . 1 1 38 38 VAL HG11 H 1 0.972 0.04 . 4 . . . . 138 VAL HG11 . 15988 1 279 . 1 1 38 38 VAL HG12 H 1 0.972 0.04 . 4 . . . . 138 VAL HG11 . 15988 1 280 . 1 1 38 38 VAL HG13 H 1 0.972 0.04 . 4 . . . . 138 VAL HG11 . 15988 1 281 . 1 1 38 38 VAL CA C 13 63.854 0.50 . 1 . . . . 138 VAL CA . 15988 1 282 . 1 1 38 38 VAL CB C 13 33.149 0.50 . 1 . . . . 138 VAL CB . 15988 1 283 . 1 1 38 38 VAL CG1 C 13 22.602 0.50 . 2 . . . . 138 VAL CG1 . 15988 1 284 . 1 1 38 38 VAL N N 15 121.120 0.50 . 1 . . . . 138 VAL N . 15988 1 285 . 1 1 39 39 GLU H H 1 8.530 0.04 . 1 . . . . 139 GLU HN . 15988 1 286 . 1 1 39 39 GLU HA H 1 4.798 0.04 . 1 . . . . 139 GLU HA . 15988 1 287 . 1 1 39 39 GLU HB2 H 1 2.003 0.04 . 2 . . . . 139 GLU HB1 . 15988 1 288 . 1 1 39 39 GLU HB3 H 1 2.003 0.04 . 2 . . . . 139 GLU HB2 . 15988 1 289 . 1 1 39 39 GLU HG2 H 1 2.360 0.04 . 2 . . . . 139 GLU HG1 . 15988 1 290 . 1 1 39 39 GLU HG3 H 1 2.415 0.04 . 2 . . . . 139 GLU HG2 . 15988 1 291 . 1 1 39 39 GLU CA C 13 55.680 0.50 . 1 . . . . 139 GLU CA . 15988 1 292 . 1 1 39 39 GLU CB C 13 34.321 0.50 . 1 . . . . 139 GLU CB . 15988 1 293 . 1 1 39 39 GLU CG C 13 38.540 0.50 . 1 . . . . 139 GLU CG . 15988 1 294 . 1 1 39 39 GLU N N 15 127.900 0.50 . 1 . . . . 139 GLU N . 15988 1 295 . 1 1 40 40 GLY H H 1 8.720 0.04 . 1 . . . . 140 GLY HN . 15988 1 296 . 1 1 40 40 GLY HA2 H 1 4.138 0.04 . 2 . . . . 140 GLY HA1 . 15988 1 297 . 1 1 40 40 GLY HA3 H 1 5.150 0.04 . 2 . . . . 140 GLY HA2 . 15988 1 298 . 1 1 40 40 GLY CA C 13 46.743 0.50 . 1 . . . . 140 GLY CA . 15988 1 299 . 1 1 40 40 GLY N N 15 105.840 0.50 . 1 . . . . 140 GLY N . 15988 1 300 . 1 1 41 41 PHE H H 1 8.670 0.04 . 1 . . . . 141 PHE HN . 15988 1 301 . 1 1 41 41 PHE HA H 1 5.781 0.04 . 1 . . . . 141 PHE HA . 15988 1 302 . 1 1 41 41 PHE HB2 H 1 2.812 0.04 . 2 . . . . 141 PHE HB1 . 15988 1 303 . 1 1 41 41 PHE HB3 H 1 3.195 0.04 . 2 . . . . 141 PHE HB2 . 15988 1 304 . 1 1 41 41 PHE HD1 H 1 7.129 0.04 . 3 . . . . 141 PHE HD1 . 15988 1 305 . 1 1 41 41 PHE HZ H 1 7.200 0.04 . 1 . . . . 141 PHE HZ . 15988 1 306 . 1 1 41 41 PHE CA C 13 56.588 0.50 . 1 . . . . 141 PHE CA . 15988 1 307 . 1 1 41 41 PHE CB C 13 42.372 0.50 . 1 . . . . 141 PHE CB . 15988 1 308 . 1 1 41 41 PHE N N 15 117.680 0.50 . 1 . . . . 141 PHE N . 15988 1 309 . 1 1 42 42 VAL H H 1 8.892 0.04 . 1 . . . . 142 VAL HN . 15988 1 310 . 1 1 42 42 VAL HA H 1 4.430 0.04 . 1 . . . . 142 VAL HA . 15988 1 311 . 1 1 42 42 VAL HB H 1 1.844 0.04 . 1 . . . . 142 VAL HB . 15988 1 312 . 1 1 42 42 VAL HG21 H 1 0.960 0.04 . 4 . . . . 142 VAL HG21 . 15988 1 313 . 1 1 42 42 VAL HG22 H 1 0.960 0.04 . 4 . . . . 142 VAL HG21 . 15988 1 314 . 1 1 42 42 VAL HG23 H 1 0.960 0.04 . 4 . . . . 142 VAL HG21 . 15988 1 315 . 1 1 42 42 VAL CA C 13 62.300 0.50 . 1 . . . . 142 VAL CA . 15988 1 316 . 1 1 42 42 VAL CB C 13 36.974 0.50 . 1 . . . . 142 VAL CB . 15988 1 317 . 1 1 42 42 VAL CG2 C 13 23.773 0.50 . 2 . . . . 142 VAL CG2 . 15988 1 318 . 1 1 42 42 VAL N N 15 117.647 0.50 . 1 . . . . 142 VAL N . 15988 1 319 . 1 1 43 43 THR H H 1 9.642 0.04 . 1 . . . . 143 THR HN . 15988 1 320 . 1 1 43 43 THR HA H 1 5.510 0.04 . 1 . . . . 143 THR HA . 15988 1 321 . 1 1 43 43 THR HB H 1 3.910 0.04 . 1 . . . . 143 THR HB . 15988 1 322 . 1 1 43 43 THR HG21 H 1 1.190 0.04 . 1 . . . . 143 THR HG21 . 15988 1 323 . 1 1 43 43 THR HG22 H 1 1.190 0.04 . 1 . . . . 143 THR HG21 . 15988 1 324 . 1 1 43 43 THR HG23 H 1 1.190 0.04 . 1 . . . . 143 THR HG21 . 15988 1 325 . 1 1 43 43 THR CA C 13 62.600 0.50 . 1 . . . . 143 THR CA . 15988 1 326 . 1 1 43 43 THR CB C 13 70.400 0.50 . 1 . . . . 143 THR CB . 15988 1 327 . 1 1 43 43 THR CG2 C 13 22.602 0.50 . 1 . . . . 143 THR CG2 . 15988 1 328 . 1 1 43 43 THR N N 15 127.021 0.50 . 1 . . . . 143 THR N . 15988 1 329 . 1 1 44 44 LEU H H 1 9.600 0.04 . 1 . . . . 144 LEU HN . 15988 1 330 . 1 1 44 44 LEU HA H 1 5.441 0.04 . 1 . . . . 144 LEU HA . 15988 1 331 . 1 1 44 44 LEU HB2 H 1 1.420 0.04 . 2 . . . . 144 LEU HB1 . 15988 1 332 . 1 1 44 44 LEU HB3 H 1 1.671 0.04 . 2 . . . . 144 LEU HB2 . 15988 1 333 . 1 1 44 44 LEU HD11 H 1 0.625 0.04 . 4 . . . . 144 LEU HD11 . 15988 1 334 . 1 1 44 44 LEU HD12 H 1 0.625 0.04 . 4 . . . . 144 LEU HD11 . 15988 1 335 . 1 1 44 44 LEU HD13 H 1 0.625 0.04 . 4 . . . . 144 LEU HD11 . 15988 1 336 . 1 1 44 44 LEU HD21 H 1 1.080 0.04 . 4 . . . . 144 LEU HD21 . 15988 1 337 . 1 1 44 44 LEU HD22 H 1 1.080 0.04 . 4 . . . . 144 LEU HD21 . 15988 1 338 . 1 1 44 44 LEU HD23 H 1 1.080 0.04 . 4 . . . . 144 LEU HD21 . 15988 1 339 . 1 1 44 44 LEU HG H 1 0.748 0.04 . 1 . . . . 144 LEU HG . 15988 1 340 . 1 1 44 44 LEU CA C 13 54.010 0.50 . 1 . . . . 144 LEU CA . 15988 1 341 . 1 1 44 44 LEU CB C 13 45.180 0.50 . 1 . . . . 144 LEU CB . 15988 1 342 . 1 1 44 44 LEU CD1 C 13 27.289 0.50 . 2 . . . . 144 LEU CD1 . 15988 1 343 . 1 1 44 44 LEU CD2 C 13 23.305 0.50 . 2 . . . . 144 LEU CD2 . 15988 1 344 . 1 1 44 44 LEU CG C 13 27.055 0.50 . 1 . . . . 144 LEU CG . 15988 1 345 . 1 1 44 44 LEU N N 15 128.780 0.50 . 1 . . . . 144 LEU N . 15988 1 346 . 1 1 45 45 SER H H 1 9.390 0.04 . 1 . . . . 145 SER HN . 15988 1 347 . 1 1 45 45 SER HA H 1 5.839 0.04 . 1 . . . . 145 SER HA . 15988 1 348 . 1 1 45 45 SER HB2 H 1 3.647 0.04 . 2 . . . . 145 SER HB1 . 15988 1 349 . 1 1 45 45 SER HB3 H 1 3.978 0.04 . 2 . . . . 145 SER HB2 . 15988 1 350 . 1 1 45 45 SER CA C 13 55.885 0.50 . 1 . . . . 145 SER CA . 15988 1 351 . 1 1 45 45 SER CB C 13 66.198 0.50 . 1 . . . . 145 SER CB . 15988 1 352 . 1 1 45 45 SER N N 15 117.220 0.50 . 1 . . . . 145 SER N . 15988 1 353 . 1 1 46 46 PHE H H 1 8.480 0.04 . 1 . . . . 146 PHE HN . 15988 1 354 . 1 1 46 46 PHE HA H 1 5.007 0.04 . 1 . . . . 146 PHE HA . 15988 1 355 . 1 1 46 46 PHE HB2 H 1 3.180 0.04 . 2 . . . . 146 PHE HB1 . 15988 1 356 . 1 1 46 46 PHE HB3 H 1 2.860 0.04 . 2 . . . . 146 PHE HB2 . 15988 1 357 . 1 1 46 46 PHE HD1 H 1 6.569 0.04 . 3 . . . . 146 PHE HD1 . 15988 1 358 . 1 1 46 46 PHE HD2 H 1 6.569 0.04 . 3 . . . . 146 PHE HD2 . 15988 1 359 . 1 1 46 46 PHE HE1 H 1 6.763 0.04 . 3 . . . . 146 PHE HE1 . 15988 1 360 . 1 1 46 46 PHE HE2 H 1 6.763 0.04 . 3 . . . . 146 PHE HE2 . 15988 1 361 . 1 1 46 46 PHE HZ H 1 7.357 0.04 . 1 . . . . 146 PHE HZ . 15988 1 362 . 1 1 46 46 PHE CA C 13 57.056 0.50 . 1 . . . . 146 PHE CA . 15988 1 363 . 1 1 46 46 PHE CB C 13 40.181 0.50 . 1 . . . . 146 PHE CB . 15988 1 364 . 1 1 46 46 PHE N N 15 117.550 0.50 . 1 . . . . 146 PHE N . 15988 1 365 . 1 1 47 47 THR H H 1 8.730 0.04 . 1 . . . . 147 THR HN . 15988 1 366 . 1 1 47 47 THR HA H 1 3.613 0.04 . 1 . . . . 147 THR HA . 15988 1 367 . 1 1 47 47 THR HB H 1 3.753 0.04 . 1 . . . . 147 THR HB . 15988 1 368 . 1 1 47 47 THR HG21 H 1 0.798 0.04 . 1 . . . . 147 THR HG21 . 15988 1 369 . 1 1 47 47 THR HG22 H 1 0.798 0.04 . 1 . . . . 147 THR HG21 . 15988 1 370 . 1 1 47 47 THR HG23 H 1 0.798 0.04 . 1 . . . . 147 THR HG21 . 15988 1 371 . 1 1 47 47 THR CA C 13 60.560 0.50 . 1 . . . . 147 THR CA . 15988 1 372 . 1 1 47 47 THR CB C 13 72.526 0.50 . 1 . . . . 147 THR CB . 15988 1 373 . 1 1 47 47 THR CG2 C 13 22.133 0.50 . 1 . . . . 147 THR CG2 . 15988 1 374 . 1 1 47 47 THR N N 15 116.500 0.50 . 1 . . . . 147 THR N . 15988 1 375 . 1 1 48 48 ILE H H 1 8.030 0.04 . 1 . . . . 148 ILE HN . 15988 1 376 . 1 1 48 48 ILE HA H 1 4.459 0.04 . 1 . . . . 148 ILE HA . 15988 1 377 . 1 1 48 48 ILE HB H 1 1.581 0.04 . 1 . . . . 148 ILE HB . 15988 1 378 . 1 1 48 48 ILE HD11 H 1 0.152 0.04 . 1 . . . . 148 ILE HD11 . 15988 1 379 . 1 1 48 48 ILE HD12 H 1 0.152 0.04 . 1 . . . . 148 ILE HD11 . 15988 1 380 . 1 1 48 48 ILE HD13 H 1 0.152 0.04 . 1 . . . . 148 ILE HD11 . 15988 1 381 . 1 1 48 48 ILE HG12 H 1 1.200 0.04 . 9 . . . . 148 ILE HG12 . 15988 1 382 . 1 1 48 48 ILE HG21 H 1 0.871 0.04 . 4 . . . . 148 ILE HG21 . 15988 1 383 . 1 1 48 48 ILE HG22 H 1 0.871 0.04 . 4 . . . . 148 ILE HG21 . 15988 1 384 . 1 1 48 48 ILE HG23 H 1 0.871 0.04 . 4 . . . . 148 ILE HG21 . 15988 1 385 . 1 1 48 48 ILE CA C 13 61.276 0.50 . 1 . . . . 148 ILE CA . 15988 1 386 . 1 1 48 48 ILE CB C 13 39.009 0.50 . 1 . . . . 148 ILE CB . 15988 1 387 . 1 1 48 48 ILE CD1 C 13 14.164 0.50 . 1 . . . . 148 ILE CD1 . 15988 1 388 . 1 1 48 48 ILE CG2 C 13 19.086 0.50 . 9 . . . . 148 ILE CG2 . 15988 1 389 . 1 1 48 48 ILE N N 15 126.370 0.50 . 1 . . . . 148 ILE N . 15988 1 390 . 1 1 49 49 ASP H H 1 9.570 0.04 . 1 . . . . 149 ASP HN . 15988 1 391 . 1 1 49 49 ASP HA H 1 4.601 0.04 . 1 . . . . 149 ASP HA . 15988 1 392 . 1 1 49 49 ASP HB2 H 1 2.700 0.04 . 2 . . . . 149 ASP HB1 . 15988 1 393 . 1 1 49 49 ASP HB3 H 1 2.780 0.04 . 2 . . . . 149 ASP HB2 . 15988 1 394 . 1 1 49 49 ASP CA C 13 53.860 0.50 . 1 . . . . 149 ASP CA . 15988 1 395 . 1 1 49 49 ASP CB C 13 41.330 0.50 . 1 . . . . 149 ASP CB . 15988 1 396 . 1 1 49 49 ASP N N 15 129.110 0.50 . 1 . . . . 149 ASP N . 15988 1 397 . 1 1 50 50 THR H H 1 8.310 0.04 . 1 . . . . 150 THR HN . 15988 1 398 . 1 1 50 50 THR HA H 1 3.790 0.04 . 1 . . . . 150 THR HA . 15988 1 399 . 1 1 50 50 THR HB H 1 4.320 0.04 . 1 . . . . 150 THR HB . 15988 1 400 . 1 1 50 50 THR HG21 H 1 1.024 0.04 . 1 . . . . 150 THR HG21 . 15988 1 401 . 1 1 50 50 THR HG22 H 1 1.024 0.04 . 1 . . . . 150 THR HG21 . 15988 1 402 . 1 1 50 50 THR HG23 H 1 1.024 0.04 . 1 . . . . 150 THR HG21 . 15988 1 403 . 1 1 50 50 THR CA C 13 65.440 0.50 . 1 . . . . 150 THR CA . 15988 1 404 . 1 1 50 50 THR CB C 13 69.010 0.50 . 1 . . . . 150 THR CB . 15988 1 405 . 1 1 50 50 THR N N 15 107.593 0.50 . 1 . . . . 150 THR N . 15988 1 406 . 1 1 51 51 THR H H 1 8.520 0.04 . 1 . . . . 151 THR HN . 15988 1 407 . 1 1 51 51 THR HA H 1 4.560 0.04 . 1 . . . . 151 THR HA . 15988 1 408 . 1 1 51 51 THR HB H 1 4.435 0.04 . 1 . . . . 151 THR HB . 15988 1 409 . 1 1 51 51 THR HG21 H 1 1.136 0.04 . 1 . . . . 151 THR HG21 . 15988 1 410 . 1 1 51 51 THR HG22 H 1 1.136 0.04 . 1 . . . . 151 THR HG21 . 15988 1 411 . 1 1 51 51 THR HG23 H 1 1.136 0.04 . 1 . . . . 151 THR HG21 . 15988 1 412 . 1 1 51 51 THR CA C 13 61.276 0.50 . 1 . . . . 151 THR CA . 15988 1 413 . 1 1 51 51 THR CB C 13 70.182 0.50 . 1 . . . . 151 THR CB . 15988 1 414 . 1 1 51 51 THR N N 15 110.550 0.50 . 1 . . . . 151 THR N . 15988 1 415 . 1 1 52 52 GLY H H 1 8.110 0.04 . 1 . . . . 152 GLY HN . 15988 1 416 . 1 1 52 52 GLY HA2 H 1 4.743 0.04 . 2 . . . . 152 GLY HA1 . 15988 1 417 . 1 1 52 52 GLY HA3 H 1 3.152 0.04 . 2 . . . . 152 GLY HA2 . 15988 1 418 . 1 1 52 52 GLY CA C 13 46.040 0.50 . 1 . . . . 152 GLY CA . 15988 1 419 . 1 1 52 52 GLY N N 15 109.980 0.50 . 1 . . . . 152 GLY N . 15988 1 420 . 1 1 53 53 LYS H H 1 8.030 0.04 . 1 . . . . 153 LYS HN . 15988 1 421 . 1 1 53 53 LYS HA H 1 4.912 0.04 . 1 . . . . 153 LYS HA . 15988 1 422 . 1 1 53 53 LYS HB2 H 1 1.860 0.04 . 2 . . . . 153 LYS HB1 . 15988 1 423 . 1 1 53 53 LYS HB3 H 1 1.860 0.04 . 2 . . . . 153 LYS HB2 . 15988 1 424 . 1 1 53 53 LYS HE2 H 1 2.951 0.04 . 2 . . . . 153 LYS HE1 . 15988 1 425 . 1 1 53 53 LYS HE3 H 1 2.951 0.04 . 2 . . . . 153 LYS HE2 . 15988 1 426 . 1 1 53 53 LYS HG2 H 1 1.368 0.04 . 2 . . . . 153 LYS HG1 . 15988 1 427 . 1 1 53 53 LYS HG3 H 1 1.535 0.04 . 2 . . . . 153 LYS HG2 . 15988 1 428 . 1 1 53 53 LYS CA C 13 54.290 0.50 . 1 . . . . 153 LYS CA . 15988 1 429 . 1 1 53 53 LYS CB C 13 34.200 0.50 . 1 . . . . 153 LYS CB . 15988 1 430 . 1 1 53 53 LYS CG C 13 24.242 0.50 . 1 . . . . 153 LYS CG . 15988 1 431 . 1 1 53 53 LYS N N 15 120.010 0.50 . 1 . . . . 153 LYS N . 15988 1 432 . 1 1 54 54 ALA H H 1 9.520 0.04 . 1 . . . . 154 ALA HN . 15988 1 433 . 1 1 54 54 ALA HA H 1 4.912 0.04 . 1 . . . . 154 ALA HA . 15988 1 434 . 1 1 54 54 ALA HB1 H 1 0.805 0.04 . 1 . . . . 154 ALA HB1 . 15988 1 435 . 1 1 54 54 ALA HB2 H 1 0.805 0.04 . 1 . . . . 154 ALA HB1 . 15988 1 436 . 1 1 54 54 ALA HB3 H 1 0.805 0.04 . 1 . . . . 154 ALA HB1 . 15988 1 437 . 1 1 54 54 ALA CA C 13 52.290 0.50 . 1 . . . . 154 ALA CA . 15988 1 438 . 1 1 54 54 ALA CB C 13 20.320 0.50 . 1 . . . . 154 ALA CB . 15988 1 439 . 1 1 54 54 ALA N N 15 124.250 0.50 . 1 . . . . 154 ALA N . 15988 1 440 . 1 1 55 55 VAL H H 1 9.590 0.04 . 1 . . . . 155 VAL HN . 15988 1 441 . 1 1 55 55 VAL HA H 1 4.678 0.04 . 1 . . . . 155 VAL HA . 15988 1 442 . 1 1 55 55 VAL HB H 1 2.311 0.04 . 1 . . . . 155 VAL HB . 15988 1 443 . 1 1 55 55 VAL HG11 H 1 0.897 0.04 . 4 . . . . 155 VAL HG11 . 15988 1 444 . 1 1 55 55 VAL HG12 H 1 0.897 0.04 . 4 . . . . 155 VAL HG11 . 15988 1 445 . 1 1 55 55 VAL HG13 H 1 0.897 0.04 . 4 . . . . 155 VAL HG11 . 15988 1 446 . 1 1 55 55 VAL HG21 H 1 0.811 0.04 . 4 . . . . 155 VAL HG21 . 15988 1 447 . 1 1 55 55 VAL HG22 H 1 0.811 0.04 . 4 . . . . 155 VAL HG21 . 15988 1 448 . 1 1 55 55 VAL HG23 H 1 0.811 0.04 . 4 . . . . 155 VAL HG21 . 15988 1 449 . 1 1 55 55 VAL CA C 13 59.635 0.50 . 1 . . . . 155 VAL CA . 15988 1 450 . 1 1 55 55 VAL CB C 13 36.130 0.50 . 1 . . . . 155 VAL CB . 15988 1 451 . 1 1 55 55 VAL CG2 C 13 19.086 0.50 . 2 . . . . 155 VAL CG2 . 15988 1 452 . 1 1 55 55 VAL N N 15 117.550 0.50 . 1 . . . . 155 VAL N . 15988 1 453 . 1 1 56 56 ASP H H 1 8.680 0.04 . 1 . . . . 156 ASP HN . 15988 1 454 . 1 1 56 56 ASP HA H 1 4.202 0.04 . 1 . . . . 156 ASP HA . 15988 1 455 . 1 1 56 56 ASP HB2 H 1 2.936 0.04 . 2 . . . . 156 ASP HB1 . 15988 1 456 . 1 1 56 56 ASP HB3 H 1 2.580 0.04 . 2 . . . . 156 ASP HB2 . 15988 1 457 . 1 1 56 56 ASP CA C 13 55.740 0.50 . 1 . . . . 156 ASP CA . 15988 1 458 . 1 1 56 56 ASP CB C 13 39.700 0.50 . 1 . . . . 156 ASP CB . 15988 1 459 . 1 1 56 56 ASP N N 15 119.680 0.50 . 1 . . . . 156 ASP N . 15988 1 460 . 1 1 57 57 ILE H H 1 8.020 0.04 . 1 . . . . 157 ILE HN . 15988 1 461 . 1 1 57 57 ILE HA H 1 4.621 0.04 . 1 . . . . 157 ILE HA . 15988 1 462 . 1 1 57 57 ILE HB H 1 1.616 0.04 . 1 . . . . 157 ILE HB . 15988 1 463 . 1 1 57 57 ILE HD11 H 1 0.619 0.04 . 1 . . . . 157 ILE HD11 . 15988 1 464 . 1 1 57 57 ILE HD12 H 1 0.619 0.04 . 1 . . . . 157 ILE HD11 . 15988 1 465 . 1 1 57 57 ILE HD13 H 1 0.619 0.04 . 1 . . . . 157 ILE HD11 . 15988 1 466 . 1 1 57 57 ILE HG12 H 1 0.779 0.04 . 9 . . . . 157 ILE HG11 . 15988 1 467 . 1 1 57 57 ILE HG13 H 1 0.779 0.04 . 9 . . . . 157 ILE HG12 . 15988 1 468 . 1 1 57 57 ILE HG21 H 1 0.974 0.04 . 4 . . . . 157 ILE HG21 . 15988 1 469 . 1 1 57 57 ILE HG22 H 1 0.974 0.04 . 4 . . . . 157 ILE HG21 . 15988 1 470 . 1 1 57 57 ILE HG23 H 1 0.974 0.04 . 4 . . . . 157 ILE HG21 . 15988 1 471 . 1 1 57 57 ILE CA C 13 62.560 0.50 . 1 . . . . 157 ILE CA . 15988 1 472 . 1 1 57 57 ILE CB C 13 39.477 0.50 . 1 . . . . 157 ILE CB . 15988 1 473 . 1 1 57 57 ILE CD1 C 13 15.101 0.50 . 1 . . . . 157 ILE CD1 . 15988 1 474 . 1 1 57 57 ILE CG1 C 13 27.992 0.50 . 9 . . . . 157 ILE CG1 . 15988 1 475 . 1 1 57 57 ILE CG2 C 13 17.211 0.50 . 9 . . . . 157 ILE CG2 . 15988 1 476 . 1 1 57 57 ILE N N 15 117.550 0.50 . 1 . . . . 157 ILE N . 15988 1 477 . 1 1 58 58 ASN H H 1 9.430 0.04 . 1 . . . . 158 ASN HN . 15988 1 478 . 1 1 58 58 ASN HA H 1 5.072 0.04 . 1 . . . . 158 ASN HA . 15988 1 479 . 1 1 58 58 ASN HB2 H 1 2.552 0.04 . 2 . . . . 158 ASN HB1 . 15988 1 480 . 1 1 58 58 ASN HB3 H 1 2.552 0.04 . 2 . . . . 158 ASN HB2 . 15988 1 481 . 1 1 58 58 ASN HD21 H 1 7.251 0.04 . 2 . . . . 158 ASN HD21 . 15988 1 482 . 1 1 58 58 ASN HD22 H 1 6.812 0.04 . 2 . . . . 158 ASN HD22 . 15988 1 483 . 1 1 58 58 ASN CA C 13 52.610 0.50 . 1 . . . . 158 ASN CA . 15988 1 484 . 1 1 58 58 ASN CB C 13 43.560 0.50 . 1 . . . . 158 ASN CB . 15988 1 485 . 1 1 58 58 ASN N N 15 126.000 0.50 . 1 . . . . 158 ASN N . 15988 1 486 . 1 1 58 58 ASN ND2 N 15 114.774 0.50 . 1 . . . . 158 ASN ND2 . 15988 1 487 . 1 1 59 59 VAL H H 1 8.880 0.04 . 1 . . . . 159 VAL HN . 15988 1 488 . 1 1 59 59 VAL HA H 1 4.163 0.04 . 1 . . . . 159 VAL HA . 15988 1 489 . 1 1 59 59 VAL HB H 1 2.069 0.04 . 1 . . . . 159 VAL HB . 15988 1 490 . 1 1 59 59 VAL HG11 H 1 0.914 0.04 . 4 . . . . 159 VAL HG11 . 15988 1 491 . 1 1 59 59 VAL HG12 H 1 0.914 0.04 . 4 . . . . 159 VAL HG11 . 15988 1 492 . 1 1 59 59 VAL HG13 H 1 0.914 0.04 . 4 . . . . 159 VAL HG11 . 15988 1 493 . 1 1 59 59 VAL HG21 H 1 0.914 0.04 . 4 . . . . 159 VAL HG21 . 15988 1 494 . 1 1 59 59 VAL HG22 H 1 0.914 0.04 . 4 . . . . 159 VAL HG21 . 15988 1 495 . 1 1 59 59 VAL HG23 H 1 0.914 0.04 . 4 . . . . 159 VAL HG21 . 15988 1 496 . 1 1 59 59 VAL CA C 13 63.854 0.50 . 1 . . . . 159 VAL CA . 15988 1 497 . 1 1 59 59 VAL CB C 13 32.680 0.50 . 1 . . . . 159 VAL CB . 15988 1 498 . 1 1 59 59 VAL CG1 C 13 22.133 0.50 . 2 . . . . 159 VAL CG1 . 15988 1 499 . 1 1 59 59 VAL CG2 C 13 22.133 0.50 . 2 . . . . 159 VAL CG2 . 15988 1 500 . 1 1 59 59 VAL N N 15 122.510 0.50 . 1 . . . . 159 VAL N . 15988 1 501 . 1 1 60 60 VAL H H 1 9.140 0.04 . 1 . . . . 160 VAL HN . 15988 1 502 . 1 1 60 60 VAL HA H 1 4.056 0.04 . 1 . . . . 160 VAL HA . 15988 1 503 . 1 1 60 60 VAL HB H 1 1.803 0.04 . 1 . . . . 160 VAL HB . 15988 1 504 . 1 1 60 60 VAL HG11 H 1 0.940 0.04 . 4 . . . . 160 VAL HG11 . 15988 1 505 . 1 1 60 60 VAL HG12 H 1 0.940 0.04 . 4 . . . . 160 VAL HG11 . 15988 1 506 . 1 1 60 60 VAL HG13 H 1 0.940 0.04 . 4 . . . . 160 VAL HG11 . 15988 1 507 . 1 1 60 60 VAL HG21 H 1 0.940 0.04 . 4 . . . . 160 VAL HG21 . 15988 1 508 . 1 1 60 60 VAL HG22 H 1 0.940 0.04 . 4 . . . . 160 VAL HG21 . 15988 1 509 . 1 1 60 60 VAL HG23 H 1 0.940 0.04 . 4 . . . . 160 VAL HG21 . 15988 1 510 . 1 1 60 60 VAL CA C 13 64.300 0.50 . 1 . . . . 160 VAL CA . 15988 1 511 . 1 1 60 60 VAL CB C 13 33.500 0.50 . 1 . . . . 160 VAL CB . 15988 1 512 . 1 1 60 60 VAL CG1 C 13 22.133 0.50 . 2 . . . . 160 VAL CG1 . 15988 1 513 . 1 1 60 60 VAL CG2 C 13 22.133 0.50 . 2 . . . . 160 VAL CG2 . 15988 1 514 . 1 1 60 60 VAL N N 15 129.140 0.50 . 1 . . . . 160 VAL N . 15988 1 515 . 1 1 61 61 ASP H H 1 7.920 0.04 . 1 . . . . 161 ASP HN . 15988 1 516 . 1 1 61 61 ASP HA H 1 4.856 0.04 . 1 . . . . 161 ASP HA . 15988 1 517 . 1 1 61 61 ASP HB2 H 1 2.514 0.04 . 2 . . . . 161 ASP HB1 . 15988 1 518 . 1 1 61 61 ASP HB3 H 1 2.899 0.04 . 2 . . . . 161 ASP HB2 . 15988 1 519 . 1 1 61 61 ASP CA C 13 53.930 0.50 . 1 . . . . 161 ASP CA . 15988 1 520 . 1 1 61 61 ASP CB C 13 44.450 0.50 . 1 . . . . 161 ASP CB . 15988 1 521 . 1 1 61 61 ASP N N 15 116.160 0.50 . 1 . . . . 161 ASP N . 15988 1 522 . 1 1 62 62 ALA H H 1 8.430 0.04 . 1 . . . . 162 ALA HN . 15988 1 523 . 1 1 62 62 ALA HA H 1 4.275 0.04 . 1 . . . . 162 ALA HA . 15988 1 524 . 1 1 62 62 ALA HB1 H 1 1.436 0.04 . 1 . . . . 162 ALA HB1 . 15988 1 525 . 1 1 62 62 ALA HB2 H 1 1.436 0.04 . 1 . . . . 162 ALA HB1 . 15988 1 526 . 1 1 62 62 ALA HB3 H 1 1.436 0.04 . 1 . . . . 162 ALA HB1 . 15988 1 527 . 1 1 62 62 ALA CA C 13 52.369 0.50 . 1 . . . . 162 ALA CA . 15988 1 528 . 1 1 62 62 ALA CB C 13 23.230 0.50 . 1 . . . . 162 ALA CB . 15988 1 529 . 1 1 62 62 ALA N N 15 122.860 0.50 . 1 . . . . 162 ALA N . 15988 1 530 . 1 1 63 63 ASN H H 1 7.630 0.04 . 1 . . . . 163 ASN HN . 15988 1 531 . 1 1 63 63 ASN HA H 1 4.621 0.04 . 1 . . . . 163 ASN HA . 15988 1 532 . 1 1 63 63 ASN HB2 H 1 2.451 0.04 . 2 . . . . 163 ASN HB1 . 15988 1 533 . 1 1 63 63 ASN HB3 H 1 2.451 0.04 . 2 . . . . 163 ASN HB2 . 15988 1 534 . 1 1 63 63 ASN HD21 H 1 7.787 0.04 . 2 . . . . 163 ASN HD21 . 15988 1 535 . 1 1 63 63 ASN HD22 H 1 7.013 0.04 . 2 . . . . 163 ASN HD22 . 15988 1 536 . 1 1 63 63 ASN CA C 13 51.900 0.50 . 1 . . . . 163 ASN CA . 15988 1 537 . 1 1 63 63 ASN CB C 13 44.270 0.50 . 1 . . . . 163 ASN CB . 15988 1 538 . 1 1 63 63 ASN N N 15 116.840 0.50 . 1 . . . . 163 ASN N . 15988 1 539 . 1 1 63 63 ASN ND2 N 15 112.840 0.50 . 1 . . . . 163 ASN ND2 . 15988 1 540 . 1 1 64 64 PRO HA H 1 4.523 0.04 . 1 . . . . 164 PRO HA . 15988 1 541 . 1 1 64 64 PRO HB2 H 1 2.470 0.04 . 2 . . . . 164 PRO HB1 . 15988 1 542 . 1 1 64 64 PRO HB3 H 1 2.470 0.04 . 2 . . . . 164 PRO HB2 . 15988 1 543 . 1 1 64 64 PRO HD2 H 1 3.370 0.04 . 2 . . . . 164 PRO HD1 . 15988 1 544 . 1 1 64 64 PRO HD3 H 1 3.910 0.04 . 2 . . . . 164 PRO HD2 . 15988 1 545 . 1 1 64 64 PRO HG2 H 1 1.620 0.04 . 2 . . . . 164 PRO HG1 . 15988 1 546 . 1 1 64 64 PRO HG3 H 1 1.880 0.04 . 2 . . . . 164 PRO HG2 . 15988 1 547 . 1 1 64 64 PRO CA C 13 63.580 0.50 . 1 . . . . 164 PRO CA . 15988 1 548 . 1 1 64 64 PRO CB C 13 34.459 0.50 . 1 . . . . 164 PRO CB . 15988 1 549 . 1 1 64 64 PRO CD C 13 50.730 0.50 . 1 . . . . 164 PRO CD . 15988 1 550 . 1 1 64 64 PRO CG C 13 26.120 0.50 . 1 . . . . 164 PRO CG . 15988 1 551 . 1 1 65 65 LYS H H 1 8.710 0.04 . 1 . . . . 165 LYS HN . 15988 1 552 . 1 1 65 65 LYS HA H 1 3.966 0.04 . 1 . . . . 165 LYS HA . 15988 1 553 . 1 1 65 65 LYS HB2 H 1 1.775 0.04 . 2 . . . . 165 LYS HB1 . 15988 1 554 . 1 1 65 65 LYS HB3 H 1 1.775 0.04 . 2 . . . . 165 LYS HB2 . 15988 1 555 . 1 1 65 65 LYS HG2 H 1 1.475 0.04 . 2 . . . . 165 LYS HG1 . 15988 1 556 . 1 1 65 65 LYS HG3 H 1 1.602 0.04 . 2 . . . . 165 LYS HG2 . 15988 1 557 . 1 1 65 65 LYS CA C 13 57.590 0.50 . 1 . . . . 165 LYS CA . 15988 1 558 . 1 1 65 65 LYS CB C 13 34.110 0.50 . 1 . . . . 165 LYS CB . 15988 1 559 . 1 1 65 65 LYS CG C 13 26.586 0.50 . 1 . . . . 165 LYS CG . 15988 1 560 . 1 1 65 65 LYS N N 15 120.520 0.50 . 1 . . . . 165 LYS N . 15988 1 561 . 1 1 66 66 ARG H H 1 10.110 0.04 . 1 . . . . 166 ARG HN . 15988 1 562 . 1 1 66 66 ARG HA H 1 3.868 0.04 . 1 . . . . 166 ARG HA . 15988 1 563 . 1 1 66 66 ARG HB2 H 1 1.509 0.04 . 2 . . . . 166 ARG HB1 . 15988 1 564 . 1 1 66 66 ARG HB3 H 1 2.006 0.04 . 2 . . . . 166 ARG HB2 . 15988 1 565 . 1 1 66 66 ARG HD2 H 1 3.159 0.04 . 2 . . . . 166 ARG HD1 . 15988 1 566 . 1 1 66 66 ARG HD3 H 1 3.159 0.04 . 2 . . . . 166 ARG HD2 . 15988 1 567 . 1 1 66 66 ARG CA C 13 57.994 0.50 . 1 . . . . 166 ARG CA . 15988 1 568 . 1 1 66 66 ARG CB C 13 27.560 0.50 . 1 . . . . 166 ARG CB . 15988 1 569 . 1 1 66 66 ARG N N 15 119.440 0.50 . 1 . . . . 166 ARG N . 15988 1 570 . 1 1 67 67 MET H H 1 8.140 0.04 . 1 . . . . 167 MET HN . 15988 1 571 . 1 1 67 67 MET HA H 1 4.340 0.04 . 1 . . . . 167 MET HA . 15988 1 572 . 1 1 67 67 MET HB2 H 1 0.833 0.04 . 2 . . . . 167 MET HB1 . 15988 1 573 . 1 1 67 67 MET HB3 H 1 1.307 0.04 . 2 . . . . 167 MET HB2 . 15988 1 574 . 1 1 67 67 MET HE1 H 1 1.774 0.04 . 1 . . . . 167 MET HE1 . 15988 1 575 . 1 1 67 67 MET HE2 H 1 1.774 0.04 . 1 . . . . 167 MET HE1 . 15988 1 576 . 1 1 67 67 MET HE3 H 1 1.774 0.04 . 1 . . . . 167 MET HE1 . 15988 1 577 . 1 1 67 67 MET HG2 H 1 0.154 0.04 . 2 . . . . 167 MET HG1 . 15988 1 578 . 1 1 67 67 MET HG3 H 1 1.397 0.04 . 2 . . . . 167 MET HG2 . 15988 1 579 . 1 1 67 67 MET CA C 13 56.822 0.50 . 1 . . . . 167 MET CA . 15988 1 580 . 1 1 67 67 MET CB C 13 34.555 0.50 . 1 . . . . 167 MET CB . 15988 1 581 . 1 1 67 67 MET CE C 13 16.742 0.50 . 1 . . . . 167 MET CE . 15988 1 582 . 1 1 67 67 MET CG C 13 29.633 0.50 . 1 . . . . 167 MET CG . 15988 1 583 . 1 1 67 67 MET N N 15 118.800 0.50 . 1 . . . . 167 MET N . 15988 1 584 . 1 1 68 68 PHE H H 1 8.720 0.04 . 1 . . . . 168 PHE HN . 15988 1 585 . 1 1 68 68 PHE HA H 1 4.447 0.04 . 1 . . . . 168 PHE HA . 15988 1 586 . 1 1 68 68 PHE HB2 H 1 2.150 0.04 . 2 . . . . 168 PHE HB1 . 15988 1 587 . 1 1 68 68 PHE HB3 H 1 2.495 0.04 . 2 . . . . 168 PHE HB2 . 15988 1 588 . 1 1 68 68 PHE HD1 H 1 6.068 0.04 . 3 . . . . 168 PHE HD1 . 15988 1 589 . 1 1 68 68 PHE HD2 H 1 6.068 0.04 . 3 . . . . 168 PHE HD2 . 15988 1 590 . 1 1 68 68 PHE HE1 H 1 6.857 0.04 . 3 . . . . 168 PHE HE1 . 15988 1 591 . 1 1 68 68 PHE HE2 H 1 6.857 0.04 . 3 . . . . 168 PHE HE2 . 15988 1 592 . 1 1 68 68 PHE HZ H 1 6.506 0.04 . 1 . . . . 168 PHE HZ . 15988 1 593 . 1 1 68 68 PHE CA C 13 57.877 0.50 . 1 . . . . 168 PHE CA . 15988 1 594 . 1 1 68 68 PHE CB C 13 42.525 0.50 . 1 . . . . 168 PHE CB . 15988 1 595 . 1 1 68 68 PHE N N 15 116.830 0.50 . 1 . . . . 168 PHE N . 15988 1 596 . 1 1 69 69 GLU H H 1 9.880 0.04 . 1 . . . . 169 GLU HN . 15988 1 597 . 1 1 69 69 GLU HA H 1 3.697 0.04 . 1 . . . . 169 GLU HA . 15988 1 598 . 1 1 69 69 GLU HB2 H 1 1.844 0.04 . 2 . . . . 169 GLU HB1 . 15988 1 599 . 1 1 69 69 GLU HB3 H 1 2.077 0.04 . 2 . . . . 169 GLU HB2 . 15988 1 600 . 1 1 69 69 GLU HG2 H 1 2.095 0.04 . 2 . . . . 169 GLU HG1 . 15988 1 601 . 1 1 69 69 GLU HG3 H 1 2.682 0.04 . 2 . . . . 169 GLU HG2 . 15988 1 602 . 1 1 69 69 GLU CA C 13 63.854 0.50 . 1 . . . . 169 GLU CA . 15988 1 603 . 1 1 69 69 GLU CB C 13 29.190 0.50 . 1 . . . . 169 GLU CB . 15988 1 604 . 1 1 69 69 GLU CG C 13 38.540 0.50 . 1 . . . . 169 GLU CG . 15988 1 605 . 1 1 69 69 GLU N N 15 120.750 0.50 . 1 . . . . 169 GLU N . 15988 1 606 . 1 1 70 70 ARG H H 1 8.460 0.04 . 1 . . . . 170 ARG HN . 15988 1 607 . 1 1 70 70 ARG HA H 1 3.906 0.04 . 1 . . . . 170 ARG HA . 15988 1 608 . 1 1 70 70 ARG HB2 H 1 1.779 0.04 . 2 . . . . 170 ARG HB2 . 15988 1 609 . 1 1 70 70 ARG HD2 H 1 3.146 0.04 . 2 . . . . 170 ARG HD2 . 15988 1 610 . 1 1 70 70 ARG HG2 H 1 1.450 0.04 . 2 . . . . 170 ARG HG1 . 15988 1 611 . 1 1 70 70 ARG CA C 13 60.338 0.50 . 1 . . . . 170 ARG CA . 15988 1 612 . 1 1 70 70 ARG CB C 13 29.870 0.50 . 1 . . . . 170 ARG CB . 15988 1 613 . 1 1 70 70 ARG N N 15 117.910 0.50 . 1 . . . . 170 ARG N . 15988 1 614 . 1 1 71 71 GLU H H 1 8.930 0.04 . 1 . . . . 171 GLU HN . 15988 1 615 . 1 1 71 71 GLU HA H 1 4.153 0.04 . 1 . . . . 171 GLU HA . 15988 1 616 . 1 1 71 71 GLU HB2 H 1 2.514 0.04 . 2 . . . . 171 GLU HB1 . 15988 1 617 . 1 1 71 71 GLU HB3 H 1 2.201 0.04 . 2 . . . . 171 GLU HB2 . 15988 1 618 . 1 1 71 71 GLU HG2 H 1 2.301 0.04 . 2 . . . . 171 GLU HG1 . 15988 1 619 . 1 1 71 71 GLU HG3 H 1 2.648 0.04 . 2 . . . . 171 GLU HG2 . 15988 1 620 . 1 1 71 71 GLU CA C 13 60.807 0.50 . 1 . . . . 171 GLU CA . 15988 1 621 . 1 1 71 71 GLU CB C 13 28.461 0.50 . 1 . . . . 171 GLU CB . 15988 1 622 . 1 1 71 71 GLU CG C 13 38.540 0.50 . 1 . . . . 171 GLU CG . 15988 1 623 . 1 1 71 71 GLU N N 15 120.180 0.50 . 1 . . . . 171 GLU N . 15988 1 624 . 1 1 72 72 ALA H H 1 8.750 0.04 . 1 . . . . 172 ALA HN . 15988 1 625 . 1 1 72 72 ALA HA H 1 4.081 0.04 . 1 . . . . 172 ALA HA . 15988 1 626 . 1 1 72 72 ALA HB1 H 1 1.550 0.04 . 1 . . . . 172 ALA HB1 . 15988 1 627 . 1 1 72 72 ALA HB2 H 1 1.550 0.04 . 1 . . . . 172 ALA HB1 . 15988 1 628 . 1 1 72 72 ALA HB3 H 1 1.550 0.04 . 1 . . . . 172 ALA HB1 . 15988 1 629 . 1 1 72 72 ALA CA C 13 56.588 0.50 . 1 . . . . 172 ALA CA . 15988 1 630 . 1 1 72 72 ALA CB C 13 19.360 0.50 . 1 . . . . 172 ALA CB . 15988 1 631 . 1 1 72 72 ALA N N 15 122.860 0.50 . 1 . . . . 172 ALA N . 15988 1 632 . 1 1 73 73 MET H H 1 8.224 0.04 . 1 . . . . 173 MET HN . 15988 1 633 . 1 1 73 73 MET HA H 1 3.629 0.04 . 1 . . . . 173 MET HA . 15988 1 634 . 1 1 73 73 MET HB2 H 1 1.917 0.04 . 2 . . . . 173 MET HB1 . 15988 1 635 . 1 1 73 73 MET HB3 H 1 2.181 0.04 . 2 . . . . 173 MET HB2 . 15988 1 636 . 1 1 73 73 MET HE1 H 1 0.764 0.04 . 1 . . . . 173 MET HE1 . 15988 1 637 . 1 1 73 73 MET HE2 H 1 0.764 0.04 . 1 . . . . 173 MET HE1 . 15988 1 638 . 1 1 73 73 MET HE3 H 1 0.764 0.04 . 1 . . . . 173 MET HE1 . 15988 1 639 . 1 1 73 73 MET HG2 H 1 2.718 0.04 . 2 . . . . 173 MET HG1 . 15988 1 640 . 1 1 73 73 MET HG3 H 1 2.718 0.04 . 2 . . . . 173 MET HG2 . 15988 1 641 . 1 1 73 73 MET CA C 13 60.845 0.50 . 1 . . . . 173 MET CA . 15988 1 642 . 1 1 73 73 MET CB C 13 34.144 0.50 . 1 . . . . 173 MET CB . 15988 1 643 . 1 1 73 73 MET CE C 13 17.680 0.50 . 1 . . . . 173 MET CE . 15988 1 644 . 1 1 73 73 MET CG C 13 33.618 0.50 . 1 . . . . 173 MET CG . 15988 1 645 . 1 1 73 73 MET N N 15 116.062 0.50 . 1 . . . . 173 MET N . 15988 1 646 . 1 1 74 74 GLN H H 1 8.390 0.04 . 1 . . . . 174 GLN HN . 15988 1 647 . 1 1 74 74 GLN HA H 1 3.829 0.04 . 1 . . . . 174 GLN HA . 15988 1 648 . 1 1 74 74 GLN HB2 H 1 2.100 0.04 . 2 . . . . 174 GLN HB1 . 15988 1 649 . 1 1 74 74 GLN HB3 H 1 2.100 0.04 . 2 . . . . 174 GLN HB2 . 15988 1 650 . 1 1 74 74 GLN HG2 H 1 2.537 0.04 . 2 . . . . 174 GLN HG1 . 15988 1 651 . 1 1 74 74 GLN HG3 H 1 2.394 0.04 . 2 . . . . 174 GLN HG2 . 15988 1 652 . 1 1 74 74 GLN CA C 13 58.932 0.50 . 1 . . . . 174 GLN CA . 15988 1 653 . 1 1 74 74 GLN CB C 13 29.310 0.50 . 1 . . . . 174 GLN CB . 15988 1 654 . 1 1 74 74 GLN CG C 13 34.790 0.50 . 1 . . . . 174 GLN CG . 15988 1 655 . 1 1 74 74 GLN N N 15 116.150 0.50 . 1 . . . . 174 GLN N . 15988 1 656 . 1 1 75 75 ALA H H 1 7.380 0.04 . 1 . . . . 175 ALA HN . 15988 1 657 . 1 1 75 75 ALA HA H 1 4.094 0.04 . 1 . . . . 175 ALA HA . 15988 1 658 . 1 1 75 75 ALA HB1 H 1 1.417 0.04 . 1 . . . . 175 ALA HB1 . 15988 1 659 . 1 1 75 75 ALA HB2 H 1 1.417 0.04 . 1 . . . . 175 ALA HB1 . 15988 1 660 . 1 1 75 75 ALA HB3 H 1 1.417 0.04 . 1 . . . . 175 ALA HB1 . 15988 1 661 . 1 1 75 75 ALA CA C 13 55.450 0.50 . 1 . . . . 175 ALA CA . 15988 1 662 . 1 1 75 75 ALA CB C 13 18.020 0.50 . 1 . . . . 175 ALA CB . 15988 1 663 . 1 1 75 75 ALA N N 15 119.800 0.50 . 1 . . . . 175 ALA N . 15988 1 664 . 1 1 76 76 LEU H H 1 7.280 0.04 . 1 . . . . 176 LEU HN . 15988 1 665 . 1 1 76 76 LEU HA H 1 2.277 0.04 . 1 . . . . 176 LEU HA . 15988 1 666 . 1 1 76 76 LEU HB2 H 1 1.265 0.04 . 2 . . . . 176 LEU HB1 . 15988 1 667 . 1 1 76 76 LEU HB3 H 1 0.493 0.04 . 2 . . . . 176 LEU HB2 . 15988 1 668 . 1 1 76 76 LEU HD11 H 1 -0.445 0.04 . 4 . . . . 176 LEU HD11 . 15988 1 669 . 1 1 76 76 LEU HD12 H 1 -0.445 0.04 . 4 . . . . 176 LEU HD11 . 15988 1 670 . 1 1 76 76 LEU HD13 H 1 -0.445 0.04 . 4 . . . . 176 LEU HD11 . 15988 1 671 . 1 1 76 76 LEU HD21 H 1 -0.445 0.04 . 4 . . . . 176 LEU HD21 . 15988 1 672 . 1 1 76 76 LEU HD22 H 1 -0.445 0.04 . 4 . . . . 176 LEU HD21 . 15988 1 673 . 1 1 76 76 LEU HD23 H 1 -0.445 0.04 . 4 . . . . 176 LEU HD21 . 15988 1 674 . 1 1 76 76 LEU HG H 1 -0.175 0.04 . 1 . . . . 176 LEU HG . 15988 1 675 . 1 1 76 76 LEU CA C 13 57.056 0.50 . 1 . . . . 176 LEU CA . 15988 1 676 . 1 1 76 76 LEU CB C 13 41.821 0.50 . 1 . . . . 176 LEU CB . 15988 1 677 . 1 1 76 76 LEU CD1 C 13 22.836 0.50 . 2 . . . . 176 LEU CD1 . 15988 1 678 . 1 1 76 76 LEU CD2 C 13 22.836 0.50 . 2 . . . . 176 LEU CD2 . 15988 1 679 . 1 1 76 76 LEU CG C 13 27.055 0.50 . 1 . . . . 176 LEU CG . 15988 1 680 . 1 1 76 76 LEU N N 15 117.690 0.50 . 1 . . . . 176 LEU N . 15988 1 681 . 1 1 77 77 LYS H H 1 7.530 0.04 . 1 . . . . 177 LYS HN . 15988 1 682 . 1 1 77 77 LYS HA H 1 3.970 0.04 . 1 . . . . 177 LYS HA . 15988 1 683 . 1 1 77 77 LYS HB2 H 1 1.678 0.04 . 2 . . . . 177 LYS HB1 . 15988 1 684 . 1 1 77 77 LYS HB3 H 1 1.952 0.04 . 2 . . . . 177 LYS HB2 . 15988 1 685 . 1 1 77 77 LYS HE2 H 1 2.900 0.04 . 2 . . . . 177 LYS HE1 . 15988 1 686 . 1 1 77 77 LYS HE3 H 1 2.900 0.04 . 2 . . . . 177 LYS HE2 . 15988 1 687 . 1 1 77 77 LYS CA C 13 59.635 0.50 . 1 . . . . 177 LYS CA . 15988 1 688 . 1 1 77 77 LYS CB C 13 33.220 0.50 . 1 . . . . 177 LYS CB . 15988 1 689 . 1 1 77 77 LYS N N 15 115.810 0.50 . 1 . . . . 177 LYS N . 15988 1 690 . 1 1 78 78 LYS H H 1 7.940 0.04 . 1 . . . . 178 LYS HN . 15988 1 691 . 1 1 78 78 LYS HA H 1 4.456 0.04 . 1 . . . . 178 LYS HA . 15988 1 692 . 1 1 78 78 LYS HB2 H 1 2.135 0.04 . 2 . . . . 178 LYS HB1 . 15988 1 693 . 1 1 78 78 LYS HB3 H 1 2.210 0.04 . 2 . . . . 178 LYS HB2 . 15988 1 694 . 1 1 78 78 LYS HD2 H 1 1.837 0.04 . 2 . . . . 178 LYS HD1 . 15988 1 695 . 1 1 78 78 LYS HD3 H 1 1.837 0.04 . 2 . . . . 178 LYS HD2 . 15988 1 696 . 1 1 78 78 LYS HE2 H 1 2.993 0.04 . 2 . . . . 178 LYS HE1 . 15988 1 697 . 1 1 78 78 LYS HE3 H 1 2.993 0.04 . 2 . . . . 178 LYS HE2 . 15988 1 698 . 1 1 78 78 LYS HG2 H 1 1.780 0.04 . 2 . . . . 178 LYS HG1 . 15988 1 699 . 1 1 78 78 LYS HG3 H 1 1.484 0.04 . 2 . . . . 178 LYS HG2 . 15988 1 700 . 1 1 78 78 LYS CA C 13 56.822 0.50 . 1 . . . . 178 LYS CA . 15988 1 701 . 1 1 78 78 LYS CB C 13 34.360 0.50 . 1 . . . . 178 LYS CB . 15988 1 702 . 1 1 78 78 LYS CG C 13 25.883 0.50 . 1 . . . . 178 LYS CG . 15988 1 703 . 1 1 78 78 LYS N N 15 117.190 0.50 . 1 . . . . 178 LYS N . 15988 1 704 . 1 1 79 79 TRP H H 1 7.800 0.04 . 1 . . . . 179 TRP HN . 15988 1 705 . 1 1 79 79 TRP HA H 1 4.862 0.04 . 1 . . . . 179 TRP HA . 15988 1 706 . 1 1 79 79 TRP HB2 H 1 3.162 0.04 . 2 . . . . 179 TRP HB1 . 15988 1 707 . 1 1 79 79 TRP HB3 H 1 3.339 0.04 . 2 . . . . 179 TRP HB2 . 15988 1 708 . 1 1 79 79 TRP HD1 H 1 7.075 0.04 . 1 . . . . 179 TRP HD1 . 15988 1 709 . 1 1 79 79 TRP HE1 H 1 9.881 0.04 . 4 . . . . 179 TRP HE1 . 15988 1 710 . 1 1 79 79 TRP HE3 H 1 6.700 0.04 . 4 . . . . 179 TRP HE3 . 15988 1 711 . 1 1 79 79 TRP HH2 H 1 7.090 0.04 . 1 . . . . 179 TRP HH2 . 15988 1 712 . 1 1 79 79 TRP HZ2 H 1 6.100 0.04 . 4 . . . . 179 TRP HZ2 . 15988 1 713 . 1 1 79 79 TRP HZ3 H 1 7.687 0.04 . 4 . . . . 179 TRP HZ3 . 15988 1 714 . 1 1 79 79 TRP CA C 13 57.380 0.50 . 1 . . . . 179 TRP CA . 15988 1 715 . 1 1 79 79 TRP CB C 13 30.270 0.50 . 1 . . . . 179 TRP CB . 15988 1 716 . 1 1 79 79 TRP N N 15 120.000 0.50 . 1 . . . . 179 TRP N . 15988 1 717 . 1 1 79 79 TRP NE1 N 15 124.090 0.50 . 1 . . . . 179 TRP NE1 . 15988 1 718 . 1 1 80 80 LYS H H 1 8.750 0.04 . 1 . . . . 180 LYS HN . 15988 1 719 . 1 1 80 80 LYS HA H 1 5.154 0.04 . 1 . . . . 180 LYS HA . 15988 1 720 . 1 1 80 80 LYS HB2 H 1 1.725 0.04 . 2 . . . . 180 LYS HB1 . 15988 1 721 . 1 1 80 80 LYS HB3 H 1 1.955 0.04 . 2 . . . . 180 LYS HB2 . 15988 1 722 . 1 1 80 80 LYS HG2 H 1 1.537 0.04 . 2 . . . . 180 LYS HG1 . 15988 1 723 . 1 1 80 80 LYS HG3 H 1 1.537 0.04 . 2 . . . . 180 LYS HG2 . 15988 1 724 . 1 1 80 80 LYS CA C 13 56.119 0.50 . 1 . . . . 180 LYS CA . 15988 1 725 . 1 1 80 80 LYS CB C 13 37.000 0.50 . 1 . . . . 180 LYS CB . 15988 1 726 . 1 1 80 80 LYS CG C 13 25.649 0.50 . 1 . . . . 180 LYS CG . 15988 1 727 . 1 1 80 80 LYS N N 15 120.010 0.50 . 1 . . . . 180 LYS N . 15988 1 728 . 1 1 81 81 TYR H H 1 9.810 0.04 . 1 . . . . 181 TYR HN . 15988 1 729 . 1 1 81 81 TYR HA H 1 4.636 0.04 . 1 . . . . 181 TYR HA . 15988 1 730 . 1 1 81 81 TYR HB2 H 1 2.583 0.04 . 2 . . . . 181 TYR HB1 . 15988 1 731 . 1 1 81 81 TYR HB3 H 1 3.136 0.04 . 2 . . . . 181 TYR HB2 . 15988 1 732 . 1 1 81 81 TYR HD1 H 1 7.091 0.04 . 3 . . . . 181 TYR HD1 . 15988 1 733 . 1 1 81 81 TYR HD2 H 1 7.091 0.04 . 3 . . . . 181 TYR HD2 . 15988 1 734 . 1 1 81 81 TYR HE1 H 1 6.691 0.04 . 3 . . . . 181 TYR HE1 . 15988 1 735 . 1 1 81 81 TYR CA C 13 58.160 0.50 . 1 . . . . 181 TYR CA . 15988 1 736 . 1 1 81 81 TYR CB C 13 42.040 0.50 . 1 . . . . 181 TYR CB . 15988 1 737 . 1 1 81 81 TYR N N 15 124.250 0.50 . 1 . . . . 181 TYR N . 15988 1 738 . 1 1 82 82 GLN H H 1 9.380 0.04 . 1 . . . . 182 GLN HN . 15988 1 739 . 1 1 82 82 GLN HA H 1 4.668 0.04 . 1 . . . . 182 GLN HA . 15988 1 740 . 1 1 82 82 GLN HB2 H 1 2.158 0.04 . 2 . . . . 182 GLN HB1 . 15988 1 741 . 1 1 82 82 GLN HB3 H 1 2.158 0.04 . 2 . . . . 182 GLN HB2 . 15988 1 742 . 1 1 82 82 GLN HE21 H 1 7.582 0.04 . 2 . . . . 182 GLN HE21 . 15988 1 743 . 1 1 82 82 GLN HE22 H 1 7.077 0.04 . 2 . . . . 182 GLN HE22 . 15988 1 744 . 1 1 82 82 GLN HG2 H 1 2.479 0.04 . 2 . . . . 182 GLN HG1 . 15988 1 745 . 1 1 82 82 GLN HG3 H 1 2.416 0.04 . 2 . . . . 182 GLN HG2 . 15988 1 746 . 1 1 82 82 GLN CA C 13 53.990 0.50 . 1 . . . . 182 GLN CA . 15988 1 747 . 1 1 82 82 GLN CB C 13 30.310 0.50 . 1 . . . . 182 GLN CB . 15988 1 748 . 1 1 82 82 GLN CG C 13 33.618 0.50 . 1 . . . . 182 GLN CG . 15988 1 749 . 1 1 82 82 GLN N N 15 122.830 0.50 . 1 . . . . 182 GLN N . 15988 1 750 . 1 1 82 82 GLN NE2 N 15 113.367 0.50 . 1 . . . . 182 GLN NE2 . 15988 1 751 . 1 1 83 83 PRO HA H 1 4.299 0.04 . 1 . . . . 183 PRO HA . 15988 1 752 . 1 1 83 83 PRO HB2 H 1 1.706 0.04 . 2 . . . . 183 PRO HB1 . 15988 1 753 . 1 1 83 83 PRO HB3 H 1 2.162 0.04 . 2 . . . . 183 PRO HB2 . 15988 1 754 . 1 1 83 83 PRO HD2 H 1 3.710 0.04 . 2 . . . . 183 PRO HD1 . 15988 1 755 . 1 1 83 83 PRO HD3 H 1 4.063 0.04 . 2 . . . . 183 PRO HD2 . 15988 1 756 . 1 1 83 83 PRO HG2 H 1 1.587 0.04 . 2 . . . . 183 PRO HG1 . 15988 1 757 . 1 1 83 83 PRO HG3 H 1 1.587 0.04 . 2 . . . . 183 PRO HG2 . 15988 1 758 . 1 1 83 83 PRO CA C 13 62.890 0.50 . 1 . . . . 183 PRO CA . 15988 1 759 . 1 1 83 83 PRO CB C 13 32.191 0.50 . 1 . . . . 183 PRO CB . 15988 1 760 . 1 1 83 83 PRO CD C 13 51.431 0.50 . 1 . . . . 183 PRO CD . 15988 1 761 . 1 1 83 83 PRO CG C 13 28.461 0.50 . 1 . . . . 183 PRO CG . 15988 1 762 . 1 1 84 84 GLN H H 1 7.800 0.04 . 1 . . . . 184 GLN HN . 15988 1 763 . 1 1 84 84 GLN HA H 1 4.361 0.04 . 1 . . . . 184 GLN HA . 15988 1 764 . 1 1 84 84 GLN HB2 H 1 1.806 0.04 . 2 . . . . 184 GLN HB1 . 15988 1 765 . 1 1 84 84 GLN HB3 H 1 2.093 0.04 . 2 . . . . 184 GLN HB2 . 15988 1 766 . 1 1 84 84 GLN HE21 H 1 6.415 0.04 . 2 . . . . 184 GLN HE21 . 15988 1 767 . 1 1 84 84 GLN HG2 H 1 1.343 0.04 . 2 . . . . 184 GLN HG1 . 15988 1 768 . 1 1 84 84 GLN HG3 H 1 0.823 0.04 . 2 . . . . 184 GLN HG2 . 15988 1 769 . 1 1 84 84 GLN CA C 13 55.650 0.50 . 1 . . . . 184 GLN CA . 15988 1 770 . 1 1 84 84 GLN CB C 13 29.600 0.50 . 1 . . . . 184 GLN CB . 15988 1 771 . 1 1 84 84 GLN CG C 13 31.508 0.50 . 1 . . . . 184 GLN CG . 15988 1 772 . 1 1 84 84 GLN N N 15 124.230 0.50 . 1 . . . . 184 GLN N . 15988 1 773 . 1 1 85 85 ILE H H 1 8.310 0.04 . 1 . . . . 185 ILE HN . 15988 1 774 . 1 1 85 85 ILE HA H 1 4.606 0.04 . 1 . . . . 185 ILE HA . 15988 1 775 . 1 1 85 85 ILE HB H 1 1.774 0.04 . 1 . . . . 185 ILE HB . 15988 1 776 . 1 1 85 85 ILE HD11 H 1 0.800 0.04 . 1 . . . . 185 ILE HD11 . 15988 1 777 . 1 1 85 85 ILE HD12 H 1 0.800 0.04 . 1 . . . . 185 ILE HD11 . 15988 1 778 . 1 1 85 85 ILE HD13 H 1 0.800 0.04 . 1 . . . . 185 ILE HD11 . 15988 1 779 . 1 1 85 85 ILE HG12 H 1 0.963 0.04 . 9 . . . . 185 ILE HG11 . 15988 1 780 . 1 1 85 85 ILE HG13 H 1 1.286 0.04 . 9 . . . . 185 ILE HG12 . 15988 1 781 . 1 1 85 85 ILE HG21 H 1 0.616 0.04 . 4 . . . . 185 ILE HG21 . 15988 1 782 . 1 1 85 85 ILE HG22 H 1 0.616 0.04 . 4 . . . . 185 ILE HG21 . 15988 1 783 . 1 1 85 85 ILE HG23 H 1 0.616 0.04 . 4 . . . . 185 ILE HG21 . 15988 1 784 . 1 1 85 85 ILE CA C 13 59.680 0.50 . 1 . . . . 185 ILE CA . 15988 1 785 . 1 1 85 85 ILE CB C 13 38.540 0.50 . 1 . . . . 185 ILE CB . 15988 1 786 . 1 1 85 85 ILE CD1 C 13 14.398 0.50 . 1 . . . . 185 ILE CD1 . 15988 1 787 . 1 1 85 85 ILE CG1 C 13 26.586 0.50 . 9 . . . . 185 ILE CG1 . 15988 1 788 . 1 1 85 85 ILE CG2 C 13 17.445 0.50 . 9 . . . . 185 ILE CG2 . 15988 1 789 . 1 1 85 85 ILE N N 15 126.910 0.50 . 1 . . . . 185 ILE N . 15988 1 790 . 1 1 86 86 VAL H H 1 8.940 0.04 . 1 . . . . 186 VAL HN . 15988 1 791 . 1 1 86 86 VAL HA H 1 4.204 0.04 . 1 . . . . 186 VAL HA . 15988 1 792 . 1 1 86 86 VAL HB H 1 1.862 0.04 . 1 . . . . 186 VAL HB . 15988 1 793 . 1 1 86 86 VAL HG11 H 1 0.892 0.04 . 4 . . . . 186 VAL HG11 . 15988 1 794 . 1 1 86 86 VAL HG12 H 1 0.892 0.04 . 4 . . . . 186 VAL HG11 . 15988 1 795 . 1 1 86 86 VAL HG13 H 1 0.892 0.04 . 4 . . . . 186 VAL HG11 . 15988 1 796 . 1 1 86 86 VAL HG21 H 1 0.897 0.04 . 4 . . . . 186 VAL HG21 . 15988 1 797 . 1 1 86 86 VAL HG22 H 1 0.897 0.04 . 4 . . . . 186 VAL HG21 . 15988 1 798 . 1 1 86 86 VAL HG23 H 1 0.897 0.04 . 4 . . . . 186 VAL HG21 . 15988 1 799 . 1 1 86 86 VAL CA C 13 62.150 0.50 . 1 . . . . 186 VAL CA . 15988 1 800 . 1 1 86 86 VAL CB C 13 35.220 0.50 . 1 . . . . 186 VAL CB . 15988 1 801 . 1 1 86 86 VAL CG1 C 13 21.195 0.50 . 2 . . . . 186 VAL CG1 . 15988 1 802 . 1 1 86 86 VAL CG2 C 13 21.898 0.50 . 2 . . . . 186 VAL CG2 . 15988 1 803 . 1 1 86 86 VAL N N 15 128.580 0.50 . 1 . . . . 186 VAL N . 15988 1 804 . 1 1 87 87 ASP H H 1 9.455 0.04 . 1 . . . . 187 ASP HN . 15988 1 805 . 1 1 87 87 ASP HA H 1 4.277 0.04 . 1 . . . . 187 ASP HA . 15988 1 806 . 1 1 87 87 ASP HB2 H 1 2.584 0.04 . 2 . . . . 187 ASP HB1 . 15988 1 807 . 1 1 87 87 ASP HB3 H 1 2.936 0.04 . 2 . . . . 187 ASP HB2 . 15988 1 808 . 1 1 87 87 ASP CA C 13 55.790 0.50 . 1 . . . . 187 ASP CA . 15988 1 809 . 1 1 87 87 ASP CB C 13 40.096 0.50 . 1 . . . . 187 ASP CB . 15988 1 810 . 1 1 87 87 ASP N N 15 129.387 0.50 . 1 . . . . 187 ASP N . 15988 1 811 . 1 1 88 88 GLY H H 1 8.310 0.04 . 1 . . . . 188 GLY HN . 15988 1 812 . 1 1 88 88 GLY HA2 H 1 3.467 0.04 . 2 . . . . 188 GLY HA1 . 15988 1 813 . 1 1 88 88 GLY HA3 H 1 4.106 0.04 . 2 . . . . 188 GLY HA2 . 15988 1 814 . 1 1 88 88 GLY CA C 13 45.806 0.50 . 1 . . . . 188 GLY CA . 15988 1 815 . 1 1 88 88 GLY N N 15 102.117 0.50 . 1 . . . . 188 GLY N . 15988 1 816 . 1 1 89 89 LYS H H 1 7.820 0.04 . 1 . . . . 189 LYS HN . 15988 1 817 . 1 1 89 89 LYS HA H 1 4.657 0.04 . 1 . . . . 189 LYS HA . 15988 1 818 . 1 1 89 89 LYS HB2 H 1 1.721 0.04 . 2 . . . . 189 LYS HB1 . 15988 1 819 . 1 1 89 89 LYS HB3 H 1 1.836 0.04 . 2 . . . . 189 LYS HB2 . 15988 1 820 . 1 1 89 89 LYS HE2 H 1 3.001 0.04 . 2 . . . . 189 LYS HE1 . 15988 1 821 . 1 1 89 89 LYS HE3 H 1 3.001 0.04 . 2 . . . . 189 LYS HE2 . 15988 1 822 . 1 1 89 89 LYS HG2 H 1 1.417 0.04 . 2 . . . . 189 LYS HG1 . 15988 1 823 . 1 1 89 89 LYS HG3 H 1 1.417 0.04 . 2 . . . . 189 LYS HG2 . 15988 1 824 . 1 1 89 89 LYS CA C 13 54.713 0.50 . 1 . . . . 189 LYS CA . 15988 1 825 . 1 1 89 89 LYS CB C 13 35.493 0.50 . 1 . . . . 189 LYS CB . 15988 1 826 . 1 1 89 89 LYS CG C 13 24.945 0.50 . 1 . . . . 189 LYS CG . 15988 1 827 . 1 1 89 89 LYS N N 15 121.830 0.50 . 1 . . . . 189 LYS N . 15988 1 828 . 1 1 90 90 ALA H H 1 8.510 0.04 . 1 . . . . 190 ALA HN . 15988 1 829 . 1 1 90 90 ALA HA H 1 5.069 0.04 . 1 . . . . 190 ALA HA . 15988 1 830 . 1 1 90 90 ALA HB1 H 1 1.354 0.04 . 1 . . . . 190 ALA HB1 . 15988 1 831 . 1 1 90 90 ALA HB2 H 1 1.354 0.04 . 1 . . . . 190 ALA HB1 . 15988 1 832 . 1 1 90 90 ALA HB3 H 1 1.354 0.04 . 1 . . . . 190 ALA HB1 . 15988 1 833 . 1 1 90 90 ALA CA C 13 51.900 0.50 . 1 . . . . 190 ALA CA . 15988 1 834 . 1 1 90 90 ALA CB C 13 20.023 0.50 . 1 . . . . 190 ALA CB . 15988 1 835 . 1 1 90 90 ALA N N 15 126.360 0.50 . 1 . . . . 190 ALA N . 15988 1 836 . 1 1 91 91 ILE H H 1 8.680 0.04 . 1 . . . . 191 ILE HN . 15988 1 837 . 1 1 91 91 ILE HA H 1 4.621 0.04 . 1 . . . . 191 ILE HA . 15988 1 838 . 1 1 91 91 ILE HB H 1 1.880 0.04 . 1 . . . . 191 ILE HB . 15988 1 839 . 1 1 91 91 ILE HD11 H 1 0.660 0.04 . 1 . . . . 191 ILE HD11 . 15988 1 840 . 1 1 91 91 ILE HD12 H 1 0.660 0.04 . 1 . . . . 191 ILE HD11 . 15988 1 841 . 1 1 91 91 ILE HD13 H 1 0.660 0.04 . 1 . . . . 191 ILE HD11 . 15988 1 842 . 1 1 91 91 ILE HG12 H 1 1.111 0.04 . 9 . . . . 191 ILE HG11 . 15988 1 843 . 1 1 91 91 ILE HG13 H 1 1.341 0.04 . 9 . . . . 191 ILE HG12 . 15988 1 844 . 1 1 91 91 ILE HG21 H 1 0.912 0.04 . 4 . . . . 191 ILE HG21 . 15988 1 845 . 1 1 91 91 ILE HG22 H 1 0.912 0.04 . 4 . . . . 191 ILE HG21 . 15988 1 846 . 1 1 91 91 ILE HG23 H 1 0.912 0.04 . 4 . . . . 191 ILE HG21 . 15988 1 847 . 1 1 91 91 ILE CA C 13 59.630 0.50 . 1 . . . . 191 ILE CA . 15988 1 848 . 1 1 91 91 ILE CB C 13 42.430 0.50 . 1 . . . . 191 ILE CB . 15988 1 849 . 1 1 91 91 ILE CD1 C 13 11.585 0.50 . 1 . . . . 191 ILE CD1 . 15988 1 850 . 1 1 91 91 ILE CG1 C 13 27.289 0.50 . 9 . . . . 191 ILE CG1 . 15988 1 851 . 1 1 91 91 ILE CG2 C 13 17.914 0.50 . 9 . . . . 191 ILE CG2 . 15988 1 852 . 1 1 91 91 ILE N N 15 117.690 0.50 . 1 . . . . 191 ILE N . 15988 1 853 . 1 1 92 92 GLU H H 1 8.590 0.04 . 1 . . . . 192 GLU HN . 15988 1 854 . 1 1 92 92 GLU HA H 1 4.400 0.04 . 1 . . . . 192 GLU HA . 15988 1 855 . 1 1 92 92 GLU HB2 H 1 1.826 0.04 . 2 . . . . 192 GLU HB1 . 15988 1 856 . 1 1 92 92 GLU HB3 H 1 1.930 0.04 . 2 . . . . 192 GLU HB2 . 15988 1 857 . 1 1 92 92 GLU HG2 H 1 2.189 0.04 . 2 . . . . 192 GLU HG1 . 15988 1 858 . 1 1 92 92 GLU HG3 H 1 2.301 0.04 . 2 . . . . 192 GLU HG2 . 15988 1 859 . 1 1 92 92 GLU CA C 13 56.822 0.50 . 1 . . . . 192 GLU CA . 15988 1 860 . 1 1 92 92 GLU CB C 13 31.070 0.50 . 1 . . . . 192 GLU CB . 15988 1 861 . 1 1 92 92 GLU CG C 13 37.602 0.50 . 1 . . . . 192 GLU CG . 15988 1 862 . 1 1 92 92 GLU N N 15 121.790 0.50 . 1 . . . . 192 GLU N . 15988 1 863 . 1 1 93 93 GLN H H 1 9.140 0.04 . 1 . . . . 193 GLN HN . 15988 1 864 . 1 1 93 93 GLN HA H 1 5.040 0.04 . 1 . . . . 193 GLN HA . 15988 1 865 . 1 1 93 93 GLN HB2 H 1 1.994 0.04 . 2 . . . . 193 GLN HB1 . 15988 1 866 . 1 1 93 93 GLN HE21 H 1 7.799 0.04 . 2 . . . . 193 GLN HE21 . 15988 1 867 . 1 1 93 93 GLN HE22 H 1 6.839 0.04 . 2 . . . . 193 GLN HE22 . 15988 1 868 . 1 1 93 93 GLN HG2 H 1 2.248 0.04 . 2 . . . . 193 GLN HG2 . 15988 1 869 . 1 1 93 93 GLN CA C 13 52.603 0.50 . 1 . . . . 193 GLN CA . 15988 1 870 . 1 1 93 93 GLN CB C 13 31.500 0.50 . 1 . . . . 193 GLN CB . 15988 1 871 . 1 1 93 93 GLN N N 15 118.970 0.50 . 1 . . . . 193 GLN N . 15988 1 872 . 1 1 93 93 GLN NE2 N 15 111.610 0.50 . 1 . . . . 193 GLN NE2 . 15988 1 873 . 1 1 94 94 PRO HA H 1 5.025 0.04 . 1 . . . . 194 PRO HA . 15988 1 874 . 1 1 94 94 PRO HB2 H 1 2.266 0.04 . 2 . . . . 194 PRO HB1 . 15988 1 875 . 1 1 94 94 PRO HB3 H 1 1.932 0.04 . 2 . . . . 194 PRO HB2 . 15988 1 876 . 1 1 94 94 PRO HD2 H 1 3.753 0.04 . 2 . . . . 194 PRO HD1 . 15988 1 877 . 1 1 94 94 PRO HD3 H 1 3.475 0.04 . 2 . . . . 194 PRO HD2 . 15988 1 878 . 1 1 94 94 PRO HG2 H 1 1.852 0.04 . 2 . . . . 194 PRO HG1 . 15988 1 879 . 1 1 94 94 PRO HG3 H 1 1.918 0.04 . 2 . . . . 194 PRO HG2 . 15988 1 880 . 1 1 94 94 PRO CA C 13 62.769 0.50 . 1 . . . . 194 PRO CA . 15988 1 881 . 1 1 94 94 PRO CB C 13 33.464 0.50 . 1 . . . . 194 PRO CB . 15988 1 882 . 1 1 94 94 PRO CD C 13 51.431 0.50 . 1 . . . . 194 PRO CD . 15988 1 883 . 1 1 94 94 PRO CG C 13 27.055 0.50 . 1 . . . . 194 PRO CG . 15988 1 884 . 1 1 95 95 GLY H H 1 8.680 0.04 . 1 . . . . 195 GLY HN . 15988 1 885 . 1 1 95 95 GLY HA2 H 1 3.730 0.04 . 2 . . . . 195 GLY HA1 . 15988 1 886 . 1 1 95 95 GLY HA3 H 1 3.730 0.04 . 2 . . . . 195 GLY HA2 . 15988 1 887 . 1 1 95 95 GLY CA C 13 47.680 0.50 . 1 . . . . 195 GLY CA . 15988 1 888 . 1 1 95 95 GLY N N 15 107.390 0.50 . 1 . . . . 195 GLY N . 15988 1 889 . 1 1 96 96 GLN H H 1 8.070 0.04 . 1 . . . . 196 GLN HN . 15988 1 890 . 1 1 96 96 GLN HA H 1 4.145 0.04 . 1 . . . . 196 GLN HA . 15988 1 891 . 1 1 96 96 GLN HB2 H 1 -0.096 0.04 . 2 . . . . 196 GLN HB1 . 15988 1 892 . 1 1 96 96 GLN HB3 H 1 1.179 0.04 . 2 . . . . 196 GLN HB2 . 15988 1 893 . 1 1 96 96 GLN HE21 H 1 6.936 0.04 . 2 . . . . 196 GLN HE21 . 15988 1 894 . 1 1 96 96 GLN HE22 H 1 6.430 0.04 . 2 . . . . 196 GLN HE22 . 15988 1 895 . 1 1 96 96 GLN HG2 H 1 1.492 0.04 . 2 . . . . 196 GLN HG1 . 15988 1 896 . 1 1 96 96 GLN HG3 H 1 1.912 0.04 . 2 . . . . 196 GLN HG2 . 15988 1 897 . 1 1 96 96 GLN CA C 13 53.775 0.50 . 1 . . . . 196 GLN CA . 15988 1 898 . 1 1 96 96 GLN CB C 13 28.200 0.50 . 1 . . . . 196 GLN CB . 15988 1 899 . 1 1 96 96 GLN CG C 13 33.618 0.50 . 1 . . . . 196 GLN CG . 15988 1 900 . 1 1 96 96 GLN N N 15 117.950 0.50 . 1 . . . . 196 GLN N . 15988 1 901 . 1 1 96 96 GLN NE2 N 15 113.895 0.50 . 1 . . . . 196 GLN NE2 . 15988 1 902 . 1 1 97 97 THR H H 1 8.310 0.04 . 1 . . . . 197 THR HN . 15988 1 903 . 1 1 97 97 THR HA H 1 5.640 0.04 . 1 . . . . 197 THR HA . 15988 1 904 . 1 1 97 97 THR HB H 1 3.866 0.04 . 1 . . . . 197 THR HB . 15988 1 905 . 1 1 97 97 THR HG21 H 1 1.041 0.04 . 1 . . . . 197 THR HG21 . 15988 1 906 . 1 1 97 97 THR HG22 H 1 1.041 0.04 . 1 . . . . 197 THR HG21 . 15988 1 907 . 1 1 97 97 THR HG23 H 1 1.041 0.04 . 1 . . . . 197 THR HG21 . 15988 1 908 . 1 1 97 97 THR CA C 13 60.807 0.50 . 1 . . . . 197 THR CA . 15988 1 909 . 1 1 97 97 THR CB C 13 72.700 0.50 . 1 . . . . 197 THR CB . 15988 1 910 . 1 1 97 97 THR CG2 C 13 21.898 0.50 . 1 . . . . 197 THR CG2 . 15988 1 911 . 1 1 97 97 THR N N 15 113.370 0.50 . 1 . . . . 197 THR N . 15988 1 912 . 1 1 98 98 VAL H H 1 9.100 0.04 . 1 . . . . 198 VAL HN . 15988 1 913 . 1 1 98 98 VAL HA H 1 4.734 0.04 . 1 . . . . 198 VAL HA . 15988 1 914 . 1 1 98 98 VAL HB H 1 2.327 0.04 . 1 . . . . 198 VAL HB . 15988 1 915 . 1 1 98 98 VAL HG11 H 1 0.965 0.04 . 4 . . . . 198 VAL HG11 . 15988 1 916 . 1 1 98 98 VAL HG12 H 1 0.965 0.04 . 4 . . . . 198 VAL HG11 . 15988 1 917 . 1 1 98 98 VAL HG13 H 1 0.965 0.04 . 4 . . . . 198 VAL HG11 . 15988 1 918 . 1 1 98 98 VAL HG21 H 1 1.258 0.04 . 4 . . . . 198 VAL HG21 . 15988 1 919 . 1 1 98 98 VAL HG22 H 1 1.258 0.04 . 4 . . . . 198 VAL HG21 . 15988 1 920 . 1 1 98 98 VAL HG23 H 1 1.258 0.04 . 4 . . . . 198 VAL HG21 . 15988 1 921 . 1 1 98 98 VAL CA C 13 61.430 0.50 . 1 . . . . 198 VAL CA . 15988 1 922 . 1 1 98 98 VAL CB C 13 36.560 0.50 . 1 . . . . 198 VAL CB . 15988 1 923 . 1 1 98 98 VAL CG1 C 13 21.430 0.50 . 2 . . . . 198 VAL CG1 . 15988 1 924 . 1 1 98 98 VAL CG2 C 13 22.602 0.50 . 2 . . . . 198 VAL CG2 . 15988 1 925 . 1 1 98 98 VAL N N 15 121.910 0.50 . 1 . . . . 198 VAL N . 15988 1 926 . 1 1 99 99 THR H H 1 8.880 0.04 . 1 . . . . 199 THR HN . 15988 1 927 . 1 1 99 99 THR HA H 1 5.310 0.04 . 1 . . . . 199 THR HA . 15988 1 928 . 1 1 99 99 THR HB H 1 3.901 0.04 . 1 . . . . 199 THR HB . 15988 1 929 . 1 1 99 99 THR HG21 H 1 1.000 0.04 . 1 . . . . 199 THR HG21 . 15988 1 930 . 1 1 99 99 THR HG22 H 1 1.000 0.04 . 1 . . . . 199 THR HG21 . 15988 1 931 . 1 1 99 99 THR HG23 H 1 1.000 0.04 . 1 . . . . 199 THR HG21 . 15988 1 932 . 1 1 99 99 THR CA C 13 62.682 0.50 . 1 . . . . 199 THR CA . 15988 1 933 . 1 1 99 99 THR CB C 13 70.417 0.50 . 1 . . . . 199 THR CB . 15988 1 934 . 1 1 99 99 THR N N 15 123.660 0.50 . 1 . . . . 199 THR N . 15988 1 935 . 1 1 100 100 VAL H H 1 9.550 0.04 . 1 . . . . 200 VAL HN . 15988 1 936 . 1 1 100 100 VAL HA H 1 4.236 0.04 . 1 . . . . 200 VAL HA . 15988 1 937 . 1 1 100 100 VAL HB H 1 1.989 0.04 . 1 . . . . 200 VAL HB . 15988 1 938 . 1 1 100 100 VAL HG11 H 1 0.699 0.04 . 4 . . . . 200 VAL HG11 . 15988 1 939 . 1 1 100 100 VAL HG12 H 1 0.699 0.04 . 4 . . . . 200 VAL HG11 . 15988 1 940 . 1 1 100 100 VAL HG13 H 1 0.699 0.04 . 4 . . . . 200 VAL HG11 . 15988 1 941 . 1 1 100 100 VAL HG21 H 1 0.904 0.04 . 4 . . . . 200 VAL HG21 . 15988 1 942 . 1 1 100 100 VAL HG22 H 1 0.904 0.04 . 4 . . . . 200 VAL HG21 . 15988 1 943 . 1 1 100 100 VAL HG23 H 1 0.904 0.04 . 4 . . . . 200 VAL HG21 . 15988 1 944 . 1 1 100 100 VAL CA C 13 61.450 0.50 . 1 . . . . 200 VAL CA . 15988 1 945 . 1 1 100 100 VAL CB C 13 33.560 0.50 . 1 . . . . 200 VAL CB . 15988 1 946 . 1 1 100 100 VAL CG1 C 13 22.602 0.50 . 2 . . . . 200 VAL CG1 . 15988 1 947 . 1 1 100 100 VAL CG2 C 13 18.596 0.50 . 2 . . . . 200 VAL CG2 . 15988 1 948 . 1 1 100 100 VAL N N 15 129.030 0.50 . 1 . . . . 200 VAL N . 15988 1 949 . 1 1 101 101 GLU H H 1 8.680 0.04 . 1 . . . . 201 GLU HN . 15988 1 950 . 1 1 101 101 GLU HA H 1 4.672 0.04 . 1 . . . . 201 GLU HA . 15988 1 951 . 1 1 101 101 GLU HB2 H 1 2.188 0.04 . 2 . . . . 201 GLU HB1 . 15988 1 952 . 1 1 101 101 GLU HB3 H 1 2.188 0.04 . 2 . . . . 201 GLU HB2 . 15988 1 953 . 1 1 101 101 GLU HG2 H 1 2.197 0.04 . 2 . . . . 201 GLU HG1 . 15988 1 954 . 1 1 101 101 GLU HG3 H 1 2.048 0.04 . 2 . . . . 201 GLU HG2 . 15988 1 955 . 1 1 101 101 GLU CA C 13 56.430 0.50 . 1 . . . . 201 GLU CA . 15988 1 956 . 1 1 101 101 GLU CB C 13 32.790 0.50 . 1 . . . . 201 GLU CB . 15988 1 957 . 1 1 101 101 GLU CG C 13 37.837 0.50 . 1 . . . . 201 GLU CG . 15988 1 958 . 1 1 101 101 GLU N N 15 125.660 0.50 . 1 . . . . 201 GLU N . 15988 1 959 . 1 1 102 102 PHE H H 1 8.840 0.04 . 1 . . . . 202 PHE HN . 15988 1 960 . 1 1 102 102 PHE HA H 1 4.193 0.04 . 1 . . . . 202 PHE HA . 15988 1 961 . 1 1 102 102 PHE HB2 H 1 1.544 0.04 . 2 . . . . 202 PHE HB1 . 15988 1 962 . 1 1 102 102 PHE HB3 H 1 1.934 0.04 . 2 . . . . 202 PHE HB2 . 15988 1 963 . 1 1 102 102 PHE HD1 H 1 6.081 0.04 . 3 . . . . 202 PHE HD1 . 15988 1 964 . 1 1 102 102 PHE HE2 H 1 6.917 0.04 . 3 . . . . 202 PHE HE2 . 15988 1 965 . 1 1 102 102 PHE HZ H 1 6.699 0.04 . 1 . . . . 202 PHE HZ . 15988 1 966 . 1 1 102 102 PHE CA C 13 58.090 0.50 . 1 . . . . 202 PHE CA . 15988 1 967 . 1 1 102 102 PHE CB C 13 39.060 0.50 . 1 . . . . 202 PHE CB . 15988 1 968 . 1 1 102 102 PHE N N 15 123.650 0.50 . 1 . . . . 202 PHE N . 15988 1 969 . 1 1 103 103 LYS H H 1 8.520 0.04 . 1 . . . . 203 LYS HN . 15988 1 970 . 1 1 103 103 LYS HA H 1 4.929 0.04 . 1 . . . . 203 LYS HA . 15988 1 971 . 1 1 103 103 LYS HB2 H 1 1.614 0.04 . 2 . . . . 203 LYS HB1 . 15988 1 972 . 1 1 103 103 LYS HB3 H 1 1.755 0.04 . 2 . . . . 203 LYS HB2 . 15988 1 973 . 1 1 103 103 LYS HE2 H 1 2.934 0.04 . 2 . . . . 203 LYS HE1 . 15988 1 974 . 1 1 103 103 LYS HE3 H 1 2.934 0.04 . 2 . . . . 203 LYS HE2 . 15988 1 975 . 1 1 103 103 LYS HG2 H 1 1.347 0.04 . 2 . . . . 203 LYS HG1 . 15988 1 976 . 1 1 103 103 LYS HG3 H 1 1.347 0.04 . 2 . . . . 203 LYS HG2 . 15988 1 977 . 1 1 103 103 LYS CA C 13 54.713 0.50 . 1 . . . . 203 LYS CA . 15988 1 978 . 1 1 103 103 LYS CB C 13 36.700 0.50 . 1 . . . . 203 LYS CB . 15988 1 979 . 1 1 103 103 LYS CG C 13 25.180 0.50 . 1 . . . . 203 LYS CG . 15988 1 980 . 1 1 103 103 LYS N N 15 123.180 0.50 . 1 . . . . 203 LYS N . 15988 1 981 . 1 1 104 104 ILE H H 1 9.640 0.04 . 1 . . . . 204 ILE HN . 15988 1 982 . 1 1 104 104 ILE HA H 1 3.845 0.04 . 1 . . . . 204 ILE HA . 15988 1 983 . 1 1 104 104 ILE HB H 1 1.632 0.04 . 1 . . . . 204 ILE HB . 15988 1 984 . 1 1 104 104 ILE HD11 H 1 0.703 0.04 . 1 . . . . 204 ILE HD11 . 15988 1 985 . 1 1 104 104 ILE HD12 H 1 0.703 0.04 . 1 . . . . 204 ILE HD11 . 15988 1 986 . 1 1 104 104 ILE HD13 H 1 0.703 0.04 . 1 . . . . 204 ILE HD11 . 15988 1 987 . 1 1 104 104 ILE HG12 H 1 0.760 0.04 . 9 . . . . 204 ILE HG11 . 15988 1 988 . 1 1 104 104 ILE HG13 H 1 1.666 0.04 . 9 . . . . 204 ILE HG12 . 15988 1 989 . 1 1 104 104 ILE HG21 H 1 0.764 0.04 . 4 . . . . 204 ILE HG21 . 15988 1 990 . 1 1 104 104 ILE HG22 H 1 0.764 0.04 . 4 . . . . 204 ILE HG21 . 15988 1 991 . 1 1 104 104 ILE HG23 H 1 0.764 0.04 . 4 . . . . 204 ILE HG21 . 15988 1 992 . 1 1 104 104 ILE CA C 13 61.508 0.50 . 1 . . . . 204 ILE CA . 15988 1 993 . 1 1 104 104 ILE CB C 13 39.400 0.50 . 1 . . . . 204 ILE CB . 15988 1 994 . 1 1 104 104 ILE CD1 C 13 13.695 0.50 . 1 . . . . 204 ILE CD1 . 15988 1 995 . 1 1 104 104 ILE CG1 C 13 27.992 0.50 . 9 . . . . 204 ILE CG1 . 15988 1 996 . 1 1 104 104 ILE CG2 C 13 17.680 0.50 . 9 . . . . 204 ILE CG2 . 15988 1 997 . 1 1 104 104 ILE N N 15 125.770 0.50 . 1 . . . . 204 ILE N . 15988 1 998 . 1 1 105 105 ALA H H 1 8.380 0.04 . 1 . . . . 205 ALA HN . 15988 1 999 . 1 1 105 105 ALA HA H 1 4.325 0.04 . 1 . . . . 205 ALA HA . 15988 1 1000 . 1 1 105 105 ALA HB1 H 1 1.361 0.04 . 1 . . . . 205 ALA HB1 . 15988 1 1001 . 1 1 105 105 ALA HB2 H 1 1.361 0.04 . 1 . . . . 205 ALA HB1 . 15988 1 1002 . 1 1 105 105 ALA HB3 H 1 1.361 0.04 . 1 . . . . 205 ALA HB1 . 15988 1 1003 . 1 1 105 105 ALA CA C 13 52.838 0.50 . 1 . . . . 205 ALA CA . 15988 1 1004 . 1 1 105 105 ALA CB C 13 19.320 0.50 . 1 . . . . 205 ALA CB . 15988 1 1005 . 1 1 105 105 ALA N N 15 130.310 0.50 . 1 . . . . 205 ALA N . 15988 1 1006 . 1 1 106 106 LYS H H 1 8.010 0.04 . 1 . . . . 206 LYS HN . 15988 1 1007 . 1 1 106 106 LYS HA H 1 4.153 0.04 . 1 . . . . 206 LYS HA . 15988 1 1008 . 1 1 106 106 LYS HB2 H 1 1.666 0.04 . 2 . . . . 206 LYS HB1 . 15988 1 1009 . 1 1 106 106 LYS HB3 H 1 1.817 0.04 . 2 . . . . 206 LYS HB2 . 15988 1 1010 . 1 1 106 106 LYS HG2 H 1 1.387 0.04 . 2 . . . . 206 LYS HG1 . 15988 1 1011 . 1 1 106 106 LYS HG3 H 1 1.387 0.04 . 2 . . . . 206 LYS HG2 . 15988 1 1012 . 1 1 106 106 LYS CA C 13 58.226 0.50 . 1 . . . . 206 LYS CA . 15988 1 1013 . 1 1 106 106 LYS CB C 13 34.339 0.50 . 1 . . . . 206 LYS CB . 15988 1 1014 . 1 1 106 106 LYS CG C 13 25.180 0.50 . 1 . . . . 206 LYS CG . 15988 1 1015 . 1 1 106 106 LYS N N 15 127.540 0.50 . 1 . . . . 206 LYS N . 15988 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 123 15988 1 1 124 15988 1 1 125 15988 1 1 126 15988 1 1 127 15988 1 1 128 15988 1 2 160 15988 1 2 161 15988 1 2 162 15988 1 3 190 15988 1 3 191 15988 1 3 192 15988 1 3 193 15988 1 3 194 15988 1 3 195 15988 1 4 239 15988 1 4 240 15988 1 4 241 15988 1 4 242 15988 1 4 243 15988 1 4 244 15988 1 5 279 15988 1 5 280 15988 1 5 281 15988 1 6 313 15988 1 6 314 15988 1 6 315 15988 1 7 334 15988 1 7 335 15988 1 7 336 15988 1 7 337 15988 1 7 338 15988 1 7 339 15988 1 8 383 15988 1 8 384 15988 1 8 385 15988 1 9 444 15988 1 9 445 15988 1 9 446 15988 1 9 447 15988 1 9 448 15988 1 9 449 15988 1 10 469 15988 1 10 470 15988 1 10 471 15988 1 11 491 15988 1 11 492 15988 1 11 493 15988 1 11 494 15988 1 11 495 15988 1 11 496 15988 1 12 505 15988 1 12 506 15988 1 12 507 15988 1 12 508 15988 1 12 509 15988 1 12 510 15988 1 13 670 15988 1 13 671 15988 1 13 672 15988 1 13 673 15988 1 13 674 15988 1 13 675 15988 1 14 709 15988 1 14 710 15988 1 15 783 15988 1 15 784 15988 1 15 785 15988 1 16 795 15988 1 16 796 15988 1 16 797 15988 1 16 798 15988 1 16 799 15988 1 16 800 15988 1 17 846 15988 1 17 847 15988 1 17 848 15988 1 18 917 15988 1 18 918 15988 1 18 919 15988 1 18 920 15988 1 18 921 15988 1 18 922 15988 1 19 940 15988 1 19 941 15988 1 19 942 15988 1 19 943 15988 1 19 944 15988 1 19 945 15988 1 20 991 15988 1 20 992 15988 1 20 993 15988 1 stop_ save_