data_25497 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25497 _Entry.Title ; NMR structure of the RRM1 domain of Hrb1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-23 _Entry.Accession_date 2015-02-23 _Entry.Last_release_date 2015-11-30 _Entry.Original_release_date 2015-11-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Santiago Martinez-Lumbreras . . . 25497 2 Bertrand Seraphin . . . 25497 3 'Jose Manuel' Perez-Canadillas . . . 25497 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' . 25497 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Hrb1 . 25497 'RNA binding domain' . 25497 RRM . 25497 THO/TREX . 25497 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25497 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 371 25497 '15N chemical shifts' 89 25497 '1H chemical shifts' 576 25497 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-01-20 2015-02-23 original BMRB 'update entry citation' 25497 1 . . 2015-11-30 2015-02-23 original author 'original release' 25497 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25496 'RRM3 domain of Gbp2' 25497 BMRB 25498 'RRM2 domain of Hrb1' 25497 BMRB 25499 'RRM3 domain of Hrb1' 25497 PDB 2MZR 'BMRB Entry Tracking System' 25497 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25497 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26602689 _Citation.Full_citation . _Citation.Title ; Gbp2 interacts with THO/TREX through a novel type of RRM domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 44 _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 437 _Citation.Page_last 448 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Santiago Martinez-Lumbreras . . . 25497 1 2 Valerio Taverniti . . . 25497 1 3 Silvia Zorrilla . . . 25497 1 4 Bertrand Seraphin . . . 25497 1 5 'Jose Manuel' Perez-Canadillas . . . 25497 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25497 _Assembly.ID 1 _Assembly.Name 'RRM1 domain of Hrb1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RRM1 1 $RRM1 A . yes native no no . . . 25497 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRM1 _Entity.Sf_category entity _Entity.Sf_framecode RRM1 _Entity.Entry_ID 25497 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RRM1 _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 ; GSARELDSTYEEKVNRNYSN SIFVGNLTYDSTPEDLTEFF SQIGKVVRADIITSRGHHRG MGTVEFTNSDDVDRAIRQYD GAFFMDRKIFVRQDN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'From 144 to 236' _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'First RRM domain of Hrb1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10934.025 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 142 GLY . 25497 1 2 143 SER . 25497 1 3 144 ALA . 25497 1 4 145 ARG . 25497 1 5 146 GLU . 25497 1 6 147 LEU . 25497 1 7 148 ASP . 25497 1 8 149 SER . 25497 1 9 150 THR . 25497 1 10 151 TYR . 25497 1 11 152 GLU . 25497 1 12 153 GLU . 25497 1 13 154 LYS . 25497 1 14 155 VAL . 25497 1 15 156 ASN . 25497 1 16 157 ARG . 25497 1 17 158 ASN . 25497 1 18 159 TYR . 25497 1 19 160 SER . 25497 1 20 161 ASN . 25497 1 21 162 SER . 25497 1 22 163 ILE . 25497 1 23 164 PHE . 25497 1 24 165 VAL . 25497 1 25 166 GLY . 25497 1 26 167 ASN . 25497 1 27 168 LEU . 25497 1 28 169 THR . 25497 1 29 170 TYR . 25497 1 30 171 ASP . 25497 1 31 172 SER . 25497 1 32 173 THR . 25497 1 33 174 PRO . 25497 1 34 175 GLU . 25497 1 35 176 ASP . 25497 1 36 177 LEU . 25497 1 37 178 THR . 25497 1 38 179 GLU . 25497 1 39 180 PHE . 25497 1 40 181 PHE . 25497 1 41 182 SER . 25497 1 42 183 GLN . 25497 1 43 184 ILE . 25497 1 44 185 GLY . 25497 1 45 186 LYS . 25497 1 46 187 VAL . 25497 1 47 188 VAL . 25497 1 48 189 ARG . 25497 1 49 190 ALA . 25497 1 50 191 ASP . 25497 1 51 192 ILE . 25497 1 52 193 ILE . 25497 1 53 194 THR . 25497 1 54 195 SER . 25497 1 55 196 ARG . 25497 1 56 197 GLY . 25497 1 57 198 HIS . 25497 1 58 199 HIS . 25497 1 59 200 ARG . 25497 1 60 201 GLY . 25497 1 61 202 MET . 25497 1 62 203 GLY . 25497 1 63 204 THR . 25497 1 64 205 VAL . 25497 1 65 206 GLU . 25497 1 66 207 PHE . 25497 1 67 208 THR . 25497 1 68 209 ASN . 25497 1 69 210 SER . 25497 1 70 211 ASP . 25497 1 71 212 ASP . 25497 1 72 213 VAL . 25497 1 73 214 ASP . 25497 1 74 215 ARG . 25497 1 75 216 ALA . 25497 1 76 217 ILE . 25497 1 77 218 ARG . 25497 1 78 219 GLN . 25497 1 79 220 TYR . 25497 1 80 221 ASP . 25497 1 81 222 GLY . 25497 1 82 223 ALA . 25497 1 83 224 PHE . 25497 1 84 225 PHE . 25497 1 85 226 MET . 25497 1 86 227 ASP . 25497 1 87 228 ARG . 25497 1 88 229 LYS . 25497 1 89 230 ILE . 25497 1 90 231 PHE . 25497 1 91 232 VAL . 25497 1 92 233 ARG . 25497 1 93 234 GLN . 25497 1 94 235 ASP . 25497 1 95 236 ASN . 25497 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 . GLY 1 1 25497 1 . SER 2 2 25497 1 . ALA 3 3 25497 1 . ARG 4 4 25497 1 . GLU 5 5 25497 1 . LEU 6 6 25497 1 . ASP 7 7 25497 1 . SER 8 8 25497 1 . THR 9 9 25497 1 . TYR 10 10 25497 1 . GLU 11 11 25497 1 . GLU 12 12 25497 1 . LYS 13 13 25497 1 . VAL 14 14 25497 1 . ASN 15 15 25497 1 . ARG 16 16 25497 1 . ASN 17 17 25497 1 . TYR 18 18 25497 1 . SER 19 19 25497 1 . ASN 20 20 25497 1 . SER 21 21 25497 1 . ILE 22 22 25497 1 . PHE 23 23 25497 1 . VAL 24 24 25497 1 . GLY 25 25 25497 1 . ASN 26 26 25497 1 . LEU 27 27 25497 1 . THR 28 28 25497 1 . TYR 29 29 25497 1 . ASP 30 30 25497 1 . SER 31 31 25497 1 . THR 32 32 25497 1 . PRO 33 33 25497 1 . GLU 34 34 25497 1 . ASP 35 35 25497 1 . LEU 36 36 25497 1 . THR 37 37 25497 1 . GLU 38 38 25497 1 . PHE 39 39 25497 1 . PHE 40 40 25497 1 . SER 41 41 25497 1 . GLN 42 42 25497 1 . ILE 43 43 25497 1 . GLY 44 44 25497 1 . LYS 45 45 25497 1 . VAL 46 46 25497 1 . VAL 47 47 25497 1 . ARG 48 48 25497 1 . ALA 49 49 25497 1 . ASP 50 50 25497 1 . ILE 51 51 25497 1 . ILE 52 52 25497 1 . THR 53 53 25497 1 . SER 54 54 25497 1 . ARG 55 55 25497 1 . GLY 56 56 25497 1 . HIS 57 57 25497 1 . HIS 58 58 25497 1 . ARG 59 59 25497 1 . GLY 60 60 25497 1 . MET 61 61 25497 1 . GLY 62 62 25497 1 . THR 63 63 25497 1 . VAL 64 64 25497 1 . GLU 65 65 25497 1 . PHE 66 66 25497 1 . THR 67 67 25497 1 . ASN 68 68 25497 1 . SER 69 69 25497 1 . ASP 70 70 25497 1 . ASP 71 71 25497 1 . VAL 72 72 25497 1 . ASP 73 73 25497 1 . ARG 74 74 25497 1 . ALA 75 75 25497 1 . ILE 76 76 25497 1 . ARG 77 77 25497 1 . GLN 78 78 25497 1 . TYR 79 79 25497 1 . ASP 80 80 25497 1 . GLY 81 81 25497 1 . ALA 82 82 25497 1 . PHE 83 83 25497 1 . PHE 84 84 25497 1 . MET 85 85 25497 1 . ASP 86 86 25497 1 . ARG 87 87 25497 1 . LYS 88 88 25497 1 . ILE 89 89 25497 1 . PHE 90 90 25497 1 . VAL 91 91 25497 1 . ARG 92 92 25497 1 . GLN 93 93 25497 1 . ASP 94 94 25497 1 . ASN 95 95 25497 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 25497 _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 $RRM1 . 4932 organism . 'Saccharomyces cerevisiae' "Baker's Yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . HRB1 . 25497 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 25497 _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 $RRM1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pET28 . . . 25497 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25497 _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 RRM1 '[U-100% 13C; U-100% 15N]' . . 1 $RRM1 . . 0.2 . . mM . . . . 25497 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25497 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 25497 1 4 DTT 'natural abundance' . . . . . . 0.1 . . mM . . . . 25497 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25497 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25497 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25497 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 RRM1 '[U-100% 13C; U-100% 15N]' . . 1 $RRM1 . . 0.2 . . mM . . . . 25497 2 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25497 2 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 25497 2 4 DTT 'natural abundance' . . . . . . 0.1 . . mM . . . . 25497 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25497 2 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 25497 _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' 50 . mM 25497 1 pH 6.5 . pH 25497 1 pressure 1 . atm 25497 1 temperature 298 . K 25497 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25497 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25497 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25497 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25497 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25497 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25497 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25497 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25497 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25497 3 stop_ save_ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 25497 _Software.ID 4 _Software.Name CcpNMR_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25497 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25497 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25497 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25497 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25497 5 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 25497 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25497 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25497 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 25497 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25497 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25497 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25497 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25497 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25497 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25497 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25497 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25497 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 25497 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25497 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25497 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25497 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25497 _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' . . . 25497 1 2 '2D 1H-13C HSQC' . . . 25497 1 3 '2D 1H-1H TOCSY' . . . 25497 1 5 '3D HNCA' . . . 25497 1 6 '3D HNCO' . . . 25497 1 7 '3D HNCACB' . . . 25497 1 8 '3D HCCH-TOCSY' . . . 25497 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.875 0.000 . 2 . . . A 142 GLY HA2 . 25497 1 2 . 1 1 1 1 GLY CA C 13 43.168 0.000 . 1 . . . A 142 GLY CA . 25497 1 3 . 1 1 2 2 SER HA H 1 4.501 0.006 . 1 . . . A 143 SER HA . 25497 1 4 . 1 1 2 2 SER HB2 H 1 3.880 0.000 . 2 . . . A 143 SER HB2 . 25497 1 5 . 1 1 2 2 SER HB3 H 1 3.852 0.000 . 2 . . . A 143 SER HB3 . 25497 1 6 . 1 1 2 2 SER C C 13 174.327 0.000 . 1 . . . A 143 SER C . 25497 1 7 . 1 1 2 2 SER CA C 13 58.230 0.034 . 1 . . . A 143 SER CA . 25497 1 8 . 1 1 2 2 SER CB C 13 64.076 0.004 . 1 . . . A 143 SER CB . 25497 1 9 . 1 1 3 3 ALA H H 1 8.521 0.005 . 1 . . . A 144 ALA H . 25497 1 10 . 1 1 3 3 ALA HA H 1 4.328 0.004 . 1 . . . A 144 ALA HA . 25497 1 11 . 1 1 3 3 ALA HB1 H 1 1.390 0.004 . 1 . . . A 144 ALA HB1 . 25497 1 12 . 1 1 3 3 ALA HB2 H 1 1.390 0.004 . 1 . . . A 144 ALA HB2 . 25497 1 13 . 1 1 3 3 ALA HB3 H 1 1.390 0.004 . 1 . . . A 144 ALA HB3 . 25497 1 14 . 1 1 3 3 ALA C C 13 177.793 0.000 . 1 . . . A 144 ALA C . 25497 1 15 . 1 1 3 3 ALA CA C 13 52.733 0.073 . 1 . . . A 144 ALA CA . 25497 1 16 . 1 1 3 3 ALA CB C 13 19.039 0.040 . 1 . . . A 144 ALA CB . 25497 1 17 . 1 1 3 3 ALA N N 15 126.127 0.020 . 1 . . . A 144 ALA N . 25497 1 18 . 1 1 4 4 ARG H H 1 8.298 0.006 . 1 . . . A 145 ARG H . 25497 1 19 . 1 1 4 4 ARG HA H 1 4.279 0.005 . 1 . . . A 145 ARG HA . 25497 1 20 . 1 1 4 4 ARG HB2 H 1 1.818 0.005 . 2 . . . A 145 ARG HB2 . 25497 1 21 . 1 1 4 4 ARG HB3 H 1 1.732 0.002 . 2 . . . A 145 ARG HB3 . 25497 1 22 . 1 1 4 4 ARG HG2 H 1 1.598 0.004 . 2 . . . A 145 ARG HG2 . 25497 1 23 . 1 1 4 4 ARG HD2 H 1 3.158 0.007 . 2 . . . A 145 ARG HD2 . 25497 1 24 . 1 1 4 4 ARG C C 13 176.435 0.000 . 1 . . . A 145 ARG C . 25497 1 25 . 1 1 4 4 ARG CA C 13 56.209 0.069 . 1 . . . A 145 ARG CA . 25497 1 26 . 1 1 4 4 ARG CB C 13 30.643 0.042 . 1 . . . A 145 ARG CB . 25497 1 27 . 1 1 4 4 ARG CG C 13 26.959 0.024 . 1 . . . A 145 ARG CG . 25497 1 28 . 1 1 4 4 ARG CD C 13 43.184 0.025 . 1 . . . A 145 ARG CD . 25497 1 29 . 1 1 4 4 ARG N N 15 120.010 0.024 . 1 . . . A 145 ARG N . 25497 1 30 . 1 1 5 5 GLU H H 1 8.399 0.006 . 1 . . . A 146 GLU H . 25497 1 31 . 1 1 5 5 GLU HA H 1 4.240 0.005 . 1 . . . A 146 GLU HA . 25497 1 32 . 1 1 5 5 GLU HB2 H 1 2.048 0.006 . 2 . . . A 146 GLU HB2 . 25497 1 33 . 1 1 5 5 GLU HB3 H 1 1.941 0.003 . 2 . . . A 146 GLU HB3 . 25497 1 34 . 1 1 5 5 GLU HG2 H 1 2.257 0.003 . 2 . . . A 146 GLU HG2 . 25497 1 35 . 1 1 5 5 GLU C C 13 176.617 0.000 . 1 . . . A 146 GLU C . 25497 1 36 . 1 1 5 5 GLU CA C 13 56.707 0.070 . 1 . . . A 146 GLU CA . 25497 1 37 . 1 1 5 5 GLU CB C 13 30.008 0.036 . 1 . . . A 146 GLU CB . 25497 1 38 . 1 1 5 5 GLU CG C 13 36.183 0.000 . 1 . . . A 146 GLU CG . 25497 1 39 . 1 1 5 5 GLU N N 15 121.796 0.020 . 1 . . . A 146 GLU N . 25497 1 40 . 1 1 6 6 LEU H H 1 8.219 0.010 . 1 . . . A 147 LEU H . 25497 1 41 . 1 1 6 6 LEU HA H 1 4.316 0.005 . 1 . . . A 147 LEU HA . 25497 1 42 . 1 1 6 6 LEU HB2 H 1 1.662 0.005 . 2 . . . A 147 LEU HB2 . 25497 1 43 . 1 1 6 6 LEU HB3 H 1 1.581 0.005 . 2 . . . A 147 LEU HB3 . 25497 1 44 . 1 1 6 6 LEU HG H 1 1.630 0.003 . 1 . . . A 147 LEU HG . 25497 1 45 . 1 1 6 6 LEU HD11 H 1 0.897 0.004 . 2 . . . A 147 LEU HD11 . 25497 1 46 . 1 1 6 6 LEU HD12 H 1 0.897 0.004 . 2 . . . A 147 LEU HD12 . 25497 1 47 . 1 1 6 6 LEU HD13 H 1 0.897 0.004 . 2 . . . A 147 LEU HD13 . 25497 1 48 . 1 1 6 6 LEU HD21 H 1 0.837 0.004 . 2 . . . A 147 LEU HD21 . 25497 1 49 . 1 1 6 6 LEU HD22 H 1 0.837 0.004 . 2 . . . A 147 LEU HD22 . 25497 1 50 . 1 1 6 6 LEU HD23 H 1 0.837 0.004 . 2 . . . A 147 LEU HD23 . 25497 1 51 . 1 1 6 6 LEU C C 13 177.156 0.000 . 1 . . . A 147 LEU C . 25497 1 52 . 1 1 6 6 LEU CA C 13 55.213 0.067 . 1 . . . A 147 LEU CA . 25497 1 53 . 1 1 6 6 LEU CB C 13 42.229 0.024 . 1 . . . A 147 LEU CB . 25497 1 54 . 1 1 6 6 LEU CG C 13 26.977 0.017 . 1 . . . A 147 LEU CG . 25497 1 55 . 1 1 6 6 LEU CD1 C 13 24.878 0.027 . 2 . . . A 147 LEU CD1 . 25497 1 56 . 1 1 6 6 LEU CD2 C 13 23.277 0.034 . 2 . . . A 147 LEU CD2 . 25497 1 57 . 1 1 6 6 LEU N N 15 122.268 0.042 . 1 . . . A 147 LEU N . 25497 1 58 . 1 1 7 7 ASP H H 1 8.262 0.009 . 1 . . . A 148 ASP H . 25497 1 59 . 1 1 7 7 ASP HA H 1 4.631 0.008 . 1 . . . A 148 ASP HA . 25497 1 60 . 1 1 7 7 ASP HB2 H 1 2.747 0.003 . 2 . . . A 148 ASP HB2 . 25497 1 61 . 1 1 7 7 ASP HB3 H 1 2.674 0.004 . 2 . . . A 148 ASP HB3 . 25497 1 62 . 1 1 7 7 ASP C C 13 176.572 0.000 . 1 . . . A 148 ASP C . 25497 1 63 . 1 1 7 7 ASP CA C 13 54.369 0.087 . 1 . . . A 148 ASP CA . 25497 1 64 . 1 1 7 7 ASP CB C 13 41.162 0.034 . 1 . . . A 148 ASP CB . 25497 1 65 . 1 1 7 7 ASP N N 15 120.880 0.017 . 1 . . . A 148 ASP N . 25497 1 66 . 1 1 8 8 SER H H 1 8.301 0.007 . 1 . . . A 149 SER H . 25497 1 67 . 1 1 8 8 SER HA H 1 4.478 0.004 . 1 . . . A 149 SER HA . 25497 1 68 . 1 1 8 8 SER HB2 H 1 3.929 0.008 . 2 . . . A 149 SER HB2 . 25497 1 69 . 1 1 8 8 SER HB3 H 1 3.860 0.008 . 2 . . . A 149 SER HB3 . 25497 1 70 . 1 1 8 8 SER C C 13 174.960 0.000 . 1 . . . A 149 SER C . 25497 1 71 . 1 1 8 8 SER CA C 13 58.794 0.085 . 1 . . . A 149 SER CA . 25497 1 72 . 1 1 8 8 SER CB C 13 63.605 0.068 . 1 . . . A 149 SER CB . 25497 1 73 . 1 1 8 8 SER N N 15 116.535 0.014 . 1 . . . A 149 SER N . 25497 1 74 . 1 1 9 9 THR H H 1 8.226 0.004 . 1 . . . A 150 THR H . 25497 1 75 . 1 1 9 9 THR HA H 1 4.288 0.005 . 1 . . . A 150 THR HA . 25497 1 76 . 1 1 9 9 THR HB H 1 4.188 0.007 . 1 . . . A 150 THR HB . 25497 1 77 . 1 1 9 9 THR HG21 H 1 1.135 0.005 . 1 . . . A 150 THR HG21 . 25497 1 78 . 1 1 9 9 THR HG22 H 1 1.135 0.005 . 1 . . . A 150 THR HG22 . 25497 1 79 . 1 1 9 9 THR HG23 H 1 1.135 0.005 . 1 . . . A 150 THR HG23 . 25497 1 80 . 1 1 9 9 THR C C 13 174.560 0.000 . 1 . . . A 150 THR C . 25497 1 81 . 1 1 9 9 THR CA C 13 62.479 0.056 . 1 . . . A 150 THR CA . 25497 1 82 . 1 1 9 9 THR CB C 13 69.582 0.024 . 1 . . . A 150 THR CB . 25497 1 83 . 1 1 9 9 THR CG2 C 13 21.604 0.006 . 1 . . . A 150 THR CG2 . 25497 1 84 . 1 1 9 9 THR N N 15 115.401 0.017 . 1 . . . A 150 THR N . 25497 1 85 . 1 1 10 10 TYR H H 1 8.087 0.006 . 1 . . . A 151 TYR H . 25497 1 86 . 1 1 10 10 TYR HA H 1 4.495 0.005 . 1 . . . A 151 TYR HA . 25497 1 87 . 1 1 10 10 TYR HB2 H 1 3.024 0.005 . 2 . . . A 151 TYR HB2 . 25497 1 88 . 1 1 10 10 TYR HB3 H 1 2.992 0.004 . 2 . . . A 151 TYR HB3 . 25497 1 89 . 1 1 10 10 TYR HD1 H 1 7.093 0.006 . 3 . . . A 151 TYR HD1 . 25497 1 90 . 1 1 10 10 TYR HD2 H 1 7.093 0.006 . 3 . . . A 151 TYR HD2 . 25497 1 91 . 1 1 10 10 TYR HE1 H 1 6.799 0.006 . 3 . . . A 151 TYR HE1 . 25497 1 92 . 1 1 10 10 TYR HE2 H 1 6.799 0.006 . 3 . . . A 151 TYR HE2 . 25497 1 93 . 1 1 10 10 TYR C C 13 175.600 0.000 . 1 . . . A 151 TYR C . 25497 1 94 . 1 1 10 10 TYR CA C 13 58.422 0.074 . 1 . . . A 151 TYR CA . 25497 1 95 . 1 1 10 10 TYR CB C 13 38.691 0.017 . 1 . . . A 151 TYR CB . 25497 1 96 . 1 1 10 10 TYR CD1 C 13 133.169 0.000 . 3 . . . A 151 TYR CD1 . 25497 1 97 . 1 1 10 10 TYR CD2 C 13 133.169 0.000 . 3 . . . A 151 TYR CD2 . 25497 1 98 . 1 1 10 10 TYR CE1 C 13 118.189 0.000 . 3 . . . A 151 TYR CE1 . 25497 1 99 . 1 1 10 10 TYR CE2 C 13 118.189 0.000 . 3 . . . A 151 TYR CE2 . 25497 1 100 . 1 1 10 10 TYR N N 15 122.283 0.023 . 1 . . . A 151 TYR N . 25497 1 101 . 1 1 11 11 GLU H H 1 8.140 0.008 . 1 . . . A 152 GLU H . 25497 1 102 . 1 1 11 11 GLU HA H 1 4.195 0.006 . 1 . . . A 152 GLU HA . 25497 1 103 . 1 1 11 11 GLU HB2 H 1 1.965 0.005 . 2 . . . A 152 GLU HB2 . 25497 1 104 . 1 1 11 11 GLU HB3 H 1 1.879 0.007 . 2 . . . A 152 GLU HB3 . 25497 1 105 . 1 1 11 11 GLU HG2 H 1 2.186 0.008 . 2 . . . A 152 GLU HG2 . 25497 1 106 . 1 1 11 11 GLU C C 13 175.991 0.000 . 1 . . . A 152 GLU C . 25497 1 107 . 1 1 11 11 GLU CA C 13 56.443 0.016 . 1 . . . A 152 GLU CA . 25497 1 108 . 1 1 11 11 GLU CB C 13 30.559 0.013 . 1 . . . A 152 GLU CB . 25497 1 109 . 1 1 11 11 GLU CG C 13 36.256 0.034 . 1 . . . A 152 GLU CG . 25497 1 110 . 1 1 11 11 GLU N N 15 122.693 0.031 . 1 . . . A 152 GLU N . 25497 1 111 . 1 1 12 12 GLU H H 1 8.280 0.008 . 1 . . . A 153 GLU H . 25497 1 112 . 1 1 12 12 GLU HA H 1 4.184 0.004 . 1 . . . A 153 GLU HA . 25497 1 113 . 1 1 12 12 GLU HB2 H 1 2.018 0.003 . 2 . . . A 153 GLU HB2 . 25497 1 114 . 1 1 12 12 GLU HB3 H 1 1.956 0.003 . 2 . . . A 153 GLU HB3 . 25497 1 115 . 1 1 12 12 GLU HG2 H 1 2.270 0.004 . 2 . . . A 153 GLU HG2 . 25497 1 116 . 1 1 12 12 GLU HG3 H 1 2.230 0.001 . 2 . . . A 153 GLU HG3 . 25497 1 117 . 1 1 12 12 GLU C C 13 176.501 0.000 . 1 . . . A 153 GLU C . 25497 1 118 . 1 1 12 12 GLU CA C 13 56.672 0.038 . 1 . . . A 153 GLU CA . 25497 1 119 . 1 1 12 12 GLU CB C 13 30.187 0.006 . 1 . . . A 153 GLU CB . 25497 1 120 . 1 1 12 12 GLU CG C 13 36.183 0.005 . 1 . . . A 153 GLU CG . 25497 1 121 . 1 1 12 12 GLU N N 15 122.225 0.045 . 1 . . . A 153 GLU N . 25497 1 122 . 1 1 13 13 LYS H H 1 8.311 0.009 . 1 . . . A 154 LYS H . 25497 1 123 . 1 1 13 13 LYS HA H 1 4.298 0.006 . 1 . . . A 154 LYS HA . 25497 1 124 . 1 1 13 13 LYS HB2 H 1 1.814 0.007 . 2 . . . A 154 LYS HB2 . 25497 1 125 . 1 1 13 13 LYS HB3 H 1 1.733 0.006 . 2 . . . A 154 LYS HB3 . 25497 1 126 . 1 1 13 13 LYS HG2 H 1 1.423 0.003 . 2 . . . A 154 LYS HG2 . 25497 1 127 . 1 1 13 13 LYS HG3 H 1 1.359 0.003 . 2 . . . A 154 LYS HG3 . 25497 1 128 . 1 1 13 13 LYS HD2 H 1 1.636 0.002 . 2 . . . A 154 LYS HD2 . 25497 1 129 . 1 1 13 13 LYS HE2 H 1 2.948 0.003 . 2 . . . A 154 LYS HE2 . 25497 1 130 . 1 1 13 13 LYS C C 13 176.541 0.000 . 1 . . . A 154 LYS C . 25497 1 131 . 1 1 13 13 LYS CA C 13 56.317 0.065 . 1 . . . A 154 LYS CA . 25497 1 132 . 1 1 13 13 LYS CB C 13 32.681 0.059 . 1 . . . A 154 LYS CB . 25497 1 133 . 1 1 13 13 LYS CG C 13 24.730 0.001 . 1 . . . A 154 LYS CG . 25497 1 134 . 1 1 13 13 LYS CD C 13 28.859 0.000 . 1 . . . A 154 LYS CD . 25497 1 135 . 1 1 13 13 LYS CE C 13 41.892 0.020 . 1 . . . A 154 LYS CE . 25497 1 136 . 1 1 13 13 LYS N N 15 122.537 0.078 . 1 . . . A 154 LYS N . 25497 1 137 . 1 1 14 14 VAL H H 1 8.032 0.012 . 1 . . . A 155 VAL H . 25497 1 138 . 1 1 14 14 VAL HA H 1 4.062 0.006 . 1 . . . A 155 VAL HA . 25497 1 139 . 1 1 14 14 VAL HB H 1 1.999 0.007 . 1 . . . A 155 VAL HB . 25497 1 140 . 1 1 14 14 VAL HG11 H 1 0.869 0.006 . 2 . . . A 155 VAL HG11 . 25497 1 141 . 1 1 14 14 VAL HG12 H 1 0.869 0.006 . 2 . . . A 155 VAL HG12 . 25497 1 142 . 1 1 14 14 VAL HG13 H 1 0.869 0.006 . 2 . . . A 155 VAL HG13 . 25497 1 143 . 1 1 14 14 VAL HG21 H 1 0.855 0.004 . 2 . . . A 155 VAL HG21 . 25497 1 144 . 1 1 14 14 VAL HG22 H 1 0.855 0.004 . 2 . . . A 155 VAL HG22 . 25497 1 145 . 1 1 14 14 VAL HG23 H 1 0.855 0.004 . 2 . . . A 155 VAL HG23 . 25497 1 146 . 1 1 14 14 VAL C C 13 175.756 0.000 . 1 . . . A 155 VAL C . 25497 1 147 . 1 1 14 14 VAL CA C 13 62.132 0.096 . 1 . . . A 155 VAL CA . 25497 1 148 . 1 1 14 14 VAL CB C 13 32.845 0.034 . 1 . . . A 155 VAL CB . 25497 1 149 . 1 1 14 14 VAL CG1 C 13 20.535 0.000 . 2 . . . A 155 VAL CG1 . 25497 1 150 . 1 1 14 14 VAL CG2 C 13 20.865 0.000 . 2 . . . A 155 VAL CG2 . 25497 1 151 . 1 1 14 14 VAL N N 15 120.637 0.140 . 1 . . . A 155 VAL N . 25497 1 152 . 1 1 15 15 ASN H H 1 8.477 0.008 . 1 . . . A 156 ASN H . 25497 1 153 . 1 1 15 15 ASN HA H 1 4.679 0.006 . 1 . . . A 156 ASN HA . 25497 1 154 . 1 1 15 15 ASN HB2 H 1 2.776 0.007 . 2 . . . A 156 ASN HB2 . 25497 1 155 . 1 1 15 15 ASN HB3 H 1 2.685 0.005 . 2 . . . A 156 ASN HB3 . 25497 1 156 . 1 1 15 15 ASN HD21 H 1 6.878 0.004 . 1 . . . A 156 ASN HD21 . 25497 1 157 . 1 1 15 15 ASN HD22 H 1 7.583 0.006 . 1 . . . A 156 ASN HD22 . 25497 1 158 . 1 1 15 15 ASN C C 13 174.685 0.000 . 1 . . . A 156 ASN C . 25497 1 159 . 1 1 15 15 ASN CA C 13 53.049 0.079 . 1 . . . A 156 ASN CA . 25497 1 160 . 1 1 15 15 ASN CB C 13 38.609 0.054 . 1 . . . A 156 ASN CB . 25497 1 161 . 1 1 15 15 ASN N N 15 122.651 0.030 . 1 . . . A 156 ASN N . 25497 1 162 . 1 1 15 15 ASN ND2 N 15 112.883 0.021 . 1 . . . A 156 ASN ND2 . 25497 1 163 . 1 1 16 16 ARG H H 1 8.023 0.006 . 1 . . . A 157 ARG H . 25497 1 164 . 1 1 16 16 ARG HA H 1 4.212 0.007 . 1 . . . A 157 ARG HA . 25497 1 165 . 1 1 16 16 ARG HB2 H 1 1.447 0.006 . 2 . . . A 157 ARG HB2 . 25497 1 166 . 1 1 16 16 ARG HG2 H 1 1.330 0.004 . 2 . . . A 157 ARG HG2 . 25497 1 167 . 1 1 16 16 ARG HG3 H 1 1.242 0.002 . 2 . . . A 157 ARG HG3 . 25497 1 168 . 1 1 16 16 ARG HD2 H 1 3.013 0.006 . 2 . . . A 157 ARG HD2 . 25497 1 169 . 1 1 16 16 ARG C C 13 174.940 0.000 . 1 . . . A 157 ARG C . 25497 1 170 . 1 1 16 16 ARG CA C 13 55.596 0.072 . 1 . . . A 157 ARG CA . 25497 1 171 . 1 1 16 16 ARG CB C 13 31.312 0.048 . 1 . . . A 157 ARG CB . 25497 1 172 . 1 1 16 16 ARG CG C 13 26.812 0.000 . 1 . . . A 157 ARG CG . 25497 1 173 . 1 1 16 16 ARG CD C 13 43.115 0.040 . 1 . . . A 157 ARG CD . 25497 1 174 . 1 1 16 16 ARG N N 15 121.783 0.039 . 1 . . . A 157 ARG N . 25497 1 175 . 1 1 17 17 ASN H H 1 8.405 0.007 . 1 . . . A 158 ASN H . 25497 1 176 . 1 1 17 17 ASN HA H 1 4.675 0.008 . 1 . . . A 158 ASN HA . 25497 1 177 . 1 1 17 17 ASN HB2 H 1 2.881 0.004 . 2 . . . A 158 ASN HB2 . 25497 1 178 . 1 1 17 17 ASN HB3 H 1 2.583 0.012 . 2 . . . A 158 ASN HB3 . 25497 1 179 . 1 1 17 17 ASN HD21 H 1 6.836 0.004 . 1 . . . A 158 ASN HD21 . 25497 1 180 . 1 1 17 17 ASN HD22 H 1 7.583 0.005 . 1 . . . A 158 ASN HD22 . 25497 1 181 . 1 1 17 17 ASN CA C 13 52.438 0.131 . 1 . . . A 158 ASN CA . 25497 1 182 . 1 1 17 17 ASN CB C 13 38.000 0.130 . 1 . . . A 158 ASN CB . 25497 1 183 . 1 1 17 17 ASN N N 15 120.594 0.052 . 1 . . . A 158 ASN N . 25497 1 184 . 1 1 17 17 ASN ND2 N 15 112.392 0.030 . 1 . . . A 158 ASN ND2 . 25497 1 185 . 1 1 18 18 TYR H H 1 7.781 0.006 . 1 . . . A 159 TYR H . 25497 1 186 . 1 1 18 18 TYR HB2 H 1 3.171 0.003 . 2 . . . A 159 TYR HB2 . 25497 1 187 . 1 1 18 18 TYR HB3 H 1 2.760 0.001 . 2 . . . A 159 TYR HB3 . 25497 1 188 . 1 1 18 18 TYR HD1 H 1 6.962 0.007 . 3 . . . A 159 TYR HD1 . 25497 1 189 . 1 1 18 18 TYR HD2 H 1 6.962 0.007 . 3 . . . A 159 TYR HD2 . 25497 1 190 . 1 1 18 18 TYR HE1 H 1 6.681 0.001 . 3 . . . A 159 TYR HE1 . 25497 1 191 . 1 1 18 18 TYR HE2 H 1 6.681 0.001 . 3 . . . A 159 TYR HE2 . 25497 1 192 . 1 1 18 18 TYR CA C 13 57.472 0.000 . 1 . . . A 159 TYR CA . 25497 1 193 . 1 1 18 18 TYR N N 15 113.919 0.075 . 1 . . . A 159 TYR N . 25497 1 194 . 1 1 20 20 ASN HD21 H 1 6.504 0.000 . 1 . . . A 161 ASN HD21 . 25497 1 195 . 1 1 20 20 ASN HD22 H 1 7.372 0.000 . 1 . . . A 161 ASN HD22 . 25497 1 196 . 1 1 20 20 ASN ND2 N 15 109.095 0.005 . 1 . . . A 161 ASN ND2 . 25497 1 197 . 1 1 21 21 SER HA H 1 5.914 0.003 . 1 . . . A 162 SER HA . 25497 1 198 . 1 1 21 21 SER HB2 H 1 3.878 0.006 . 2 . . . A 162 SER HB2 . 25497 1 199 . 1 1 21 21 SER HB3 H 1 3.604 0.006 . 2 . . . A 162 SER HB3 . 25497 1 200 . 1 1 21 21 SER C C 13 173.659 0.000 . 1 . . . A 162 SER C . 25497 1 201 . 1 1 21 21 SER CA C 13 57.360 0.095 . 1 . . . A 162 SER CA . 25497 1 202 . 1 1 21 21 SER CB C 13 65.974 0.071 . 1 . . . A 162 SER CB . 25497 1 203 . 1 1 22 22 ILE H H 1 8.975 0.008 . 1 . . . A 163 ILE H . 25497 1 204 . 1 1 22 22 ILE HA H 1 5.049 0.006 . 1 . . . A 163 ILE HA . 25497 1 205 . 1 1 22 22 ILE HB H 1 1.800 0.003 . 1 . . . A 163 ILE HB . 25497 1 206 . 1 1 22 22 ILE HG12 H 1 1.150 0.004 . 2 . . . A 163 ILE HG12 . 25497 1 207 . 1 1 22 22 ILE HG13 H 1 0.984 0.003 . 2 . . . A 163 ILE HG13 . 25497 1 208 . 1 1 22 22 ILE HG21 H 1 0.979 0.003 . 1 . . . A 163 ILE HG21 . 25497 1 209 . 1 1 22 22 ILE HG22 H 1 0.979 0.003 . 1 . . . A 163 ILE HG22 . 25497 1 210 . 1 1 22 22 ILE HG23 H 1 0.979 0.003 . 1 . . . A 163 ILE HG23 . 25497 1 211 . 1 1 22 22 ILE HD11 H 1 -0.021 0.005 . 1 . . . A 163 ILE HD11 . 25497 1 212 . 1 1 22 22 ILE HD12 H 1 -0.021 0.005 . 1 . . . A 163 ILE HD12 . 25497 1 213 . 1 1 22 22 ILE HD13 H 1 -0.021 0.005 . 1 . . . A 163 ILE HD13 . 25497 1 214 . 1 1 22 22 ILE C C 13 173.998 0.000 . 1 . . . A 163 ILE C . 25497 1 215 . 1 1 22 22 ILE CA C 13 59.035 0.067 . 1 . . . A 163 ILE CA . 25497 1 216 . 1 1 22 22 ILE CB C 13 40.642 0.096 . 1 . . . A 163 ILE CB . 25497 1 217 . 1 1 22 22 ILE CG1 C 13 25.987 0.005 . 1 . . . A 163 ILE CG1 . 25497 1 218 . 1 1 22 22 ILE CG2 C 13 20.756 0.000 . 1 . . . A 163 ILE CG2 . 25497 1 219 . 1 1 22 22 ILE CD1 C 13 13.564 0.000 . 1 . . . A 163 ILE CD1 . 25497 1 220 . 1 1 22 22 ILE N N 15 113.537 0.042 . 1 . . . A 163 ILE N . 25497 1 221 . 1 1 23 23 PHE H H 1 9.243 0.012 . 1 . . . A 164 PHE H . 25497 1 222 . 1 1 23 23 PHE HA H 1 4.933 0.004 . 1 . . . A 164 PHE HA . 25497 1 223 . 1 1 23 23 PHE HB2 H 1 2.822 0.002 . 2 . . . A 164 PHE HB2 . 25497 1 224 . 1 1 23 23 PHE HD1 H 1 7.085 0.004 . 3 . . . A 164 PHE HD1 . 25497 1 225 . 1 1 23 23 PHE HD2 H 1 7.085 0.004 . 3 . . . A 164 PHE HD2 . 25497 1 226 . 1 1 23 23 PHE HE1 H 1 7.285 0.007 . 3 . . . A 164 PHE HE1 . 25497 1 227 . 1 1 23 23 PHE HE2 H 1 7.285 0.007 . 3 . . . A 164 PHE HE2 . 25497 1 228 . 1 1 23 23 PHE HZ H 1 7.472 0.002 . 1 . . . A 164 PHE HZ . 25497 1 229 . 1 1 23 23 PHE C C 13 173.607 0.000 . 1 . . . A 164 PHE C . 25497 1 230 . 1 1 23 23 PHE CA C 13 56.523 0.076 . 1 . . . A 164 PHE CA . 25497 1 231 . 1 1 23 23 PHE CB C 13 42.209 0.107 . 1 . . . A 164 PHE CB . 25497 1 232 . 1 1 23 23 PHE CD1 C 13 133.334 0.000 . 3 . . . A 164 PHE CD1 . 25497 1 233 . 1 1 23 23 PHE CD2 C 13 133.334 0.000 . 3 . . . A 164 PHE CD2 . 25497 1 234 . 1 1 23 23 PHE CE1 C 13 129.610 0.000 . 3 . . . A 164 PHE CE1 . 25497 1 235 . 1 1 23 23 PHE CE2 C 13 129.610 0.000 . 3 . . . A 164 PHE CE2 . 25497 1 236 . 1 1 23 23 PHE CZ C 13 131.098 0.000 . 1 . . . A 164 PHE CZ . 25497 1 237 . 1 1 23 23 PHE N N 15 123.425 0.090 . 1 . . . A 164 PHE N . 25497 1 238 . 1 1 24 24 VAL H H 1 8.579 0.024 . 1 . . . A 165 VAL H . 25497 1 239 . 1 1 24 24 VAL HA H 1 5.045 0.009 . 1 . . . A 165 VAL HA . 25497 1 240 . 1 1 24 24 VAL HB H 1 1.561 0.005 . 1 . . . A 165 VAL HB . 25497 1 241 . 1 1 24 24 VAL HG11 H 1 0.858 0.003 . 2 . . . A 165 VAL HG11 . 25497 1 242 . 1 1 24 24 VAL HG12 H 1 0.858 0.003 . 2 . . . A 165 VAL HG12 . 25497 1 243 . 1 1 24 24 VAL HG13 H 1 0.858 0.003 . 2 . . . A 165 VAL HG13 . 25497 1 244 . 1 1 24 24 VAL HG21 H 1 0.617 0.003 . 2 . . . A 165 VAL HG21 . 25497 1 245 . 1 1 24 24 VAL HG22 H 1 0.617 0.003 . 2 . . . A 165 VAL HG22 . 25497 1 246 . 1 1 24 24 VAL HG23 H 1 0.617 0.003 . 2 . . . A 165 VAL HG23 . 25497 1 247 . 1 1 24 24 VAL CA C 13 59.252 0.075 . 1 . . . A 165 VAL CA . 25497 1 248 . 1 1 24 24 VAL CB C 13 34.104 0.000 . 1 . . . A 165 VAL CB . 25497 1 249 . 1 1 24 24 VAL CG1 C 13 22.228 0.000 . 2 . . . A 165 VAL CG1 . 25497 1 250 . 1 1 24 24 VAL CG2 C 13 21.471 0.000 . 2 . . . A 165 VAL CG2 . 25497 1 251 . 1 1 24 24 VAL N N 15 125.968 0.050 . 1 . . . A 165 VAL N . 25497 1 252 . 1 1 26 26 ASN HA H 1 4.417 0.018 . 1 . . . A 167 ASN HA . 25497 1 253 . 1 1 26 26 ASN HB2 H 1 3.684 0.007 . 2 . . . A 167 ASN HB2 . 25497 1 254 . 1 1 26 26 ASN HD21 H 1 8.222 0.005 . 1 . . . A 167 ASN HD21 . 25497 1 255 . 1 1 26 26 ASN HD22 H 1 6.897 0.006 . 1 . . . A 167 ASN HD22 . 25497 1 256 . 1 1 26 26 ASN C C 13 175.016 0.000 . 1 . . . A 167 ASN C . 25497 1 257 . 1 1 26 26 ASN CA C 13 53.515 0.068 . 1 . . . A 167 ASN CA . 25497 1 258 . 1 1 26 26 ASN CB C 13 37.868 0.088 . 1 . . . A 167 ASN CB . 25497 1 259 . 1 1 26 26 ASN ND2 N 15 111.155 0.005 . 1 . . . A 167 ASN ND2 . 25497 1 260 . 1 1 27 27 LEU H H 1 7.656 0.011 . 1 . . . A 168 LEU H . 25497 1 261 . 1 1 27 27 LEU HA H 1 4.268 0.009 . 1 . . . A 168 LEU HA . 25497 1 262 . 1 1 27 27 LEU HB2 H 1 1.712 0.007 . 2 . . . A 168 LEU HB2 . 25497 1 263 . 1 1 27 27 LEU HB3 H 1 0.993 0.009 . 2 . . . A 168 LEU HB3 . 25497 1 264 . 1 1 27 27 LEU HG H 1 1.273 0.006 . 1 . . . A 168 LEU HG . 25497 1 265 . 1 1 27 27 LEU HD11 H 1 0.730 0.005 . 2 . . . A 168 LEU HD11 . 25497 1 266 . 1 1 27 27 LEU HD12 H 1 0.730 0.005 . 2 . . . A 168 LEU HD12 . 25497 1 267 . 1 1 27 27 LEU HD13 H 1 0.730 0.005 . 2 . . . A 168 LEU HD13 . 25497 1 268 . 1 1 27 27 LEU HD21 H 1 0.562 0.004 . 2 . . . A 168 LEU HD21 . 25497 1 269 . 1 1 27 27 LEU HD22 H 1 0.562 0.004 . 2 . . . A 168 LEU HD22 . 25497 1 270 . 1 1 27 27 LEU HD23 H 1 0.562 0.004 . 2 . . . A 168 LEU HD23 . 25497 1 271 . 1 1 27 27 LEU CA C 13 52.958 0.063 . 1 . . . A 168 LEU CA . 25497 1 272 . 1 1 27 27 LEU CB C 13 43.094 0.084 . 1 . . . A 168 LEU CB . 25497 1 273 . 1 1 27 27 LEU CG C 13 26.982 0.038 . 1 . . . A 168 LEU CG . 25497 1 274 . 1 1 27 27 LEU CD1 C 13 22.526 0.061 . 2 . . . A 168 LEU CD1 . 25497 1 275 . 1 1 27 27 LEU CD2 C 13 26.273 0.016 . 2 . . . A 168 LEU CD2 . 25497 1 276 . 1 1 27 27 LEU N N 15 113.899 0.033 . 1 . . . A 168 LEU N . 25497 1 277 . 1 1 28 28 THR HA H 1 3.961 0.010 . 1 . . . A 169 THR HA . 25497 1 278 . 1 1 28 28 THR HB H 1 4.317 0.007 . 1 . . . A 169 THR HB . 25497 1 279 . 1 1 28 28 THR HG21 H 1 1.226 0.004 . 1 . . . A 169 THR HG21 . 25497 1 280 . 1 1 28 28 THR HG22 H 1 1.226 0.004 . 1 . . . A 169 THR HG22 . 25497 1 281 . 1 1 28 28 THR HG23 H 1 1.226 0.004 . 1 . . . A 169 THR HG23 . 25497 1 282 . 1 1 28 28 THR CA C 13 60.918 0.026 . 1 . . . A 169 THR CA . 25497 1 283 . 1 1 28 28 THR CB C 13 69.187 0.023 . 1 . . . A 169 THR CB . 25497 1 284 . 1 1 28 28 THR CG2 C 13 22.898 0.025 . 1 . . . A 169 THR CG2 . 25497 1 285 . 1 1 29 29 TYR H H 1 8.350 0.003 . 1 . . . A 170 TYR H . 25497 1 286 . 1 1 29 29 TYR CA C 13 57.571 0.042 . 1 . . . A 170 TYR CA . 25497 1 287 . 1 1 29 29 TYR N N 15 120.291 0.071 . 1 . . . A 170 TYR N . 25497 1 288 . 1 1 30 30 ASP H H 1 7.581 0.002 . 1 . . . A 171 ASP H . 25497 1 289 . 1 1 30 30 ASP HA H 1 4.665 0.004 . 1 . . . A 171 ASP HA . 25497 1 290 . 1 1 30 30 ASP HB2 H 1 2.623 0.006 . 2 . . . A 171 ASP HB2 . 25497 1 291 . 1 1 30 30 ASP HB3 H 1 2.566 0.002 . 2 . . . A 171 ASP HB3 . 25497 1 292 . 1 1 30 30 ASP C C 13 176.165 0.000 . 1 . . . A 171 ASP C . 25497 1 293 . 1 1 30 30 ASP CA C 13 53.828 1.740 . 1 . . . A 171 ASP CA . 25497 1 294 . 1 1 30 30 ASP CB C 13 40.825 0.005 . 1 . . . A 171 ASP CB . 25497 1 295 . 1 1 30 30 ASP N N 15 114.303 0.049 . 1 . . . A 171 ASP N . 25497 1 296 . 1 1 31 31 SER H H 1 7.221 0.012 . 1 . . . A 172 SER H . 25497 1 297 . 1 1 31 31 SER HA H 1 4.380 0.006 . 1 . . . A 172 SER HA . 25497 1 298 . 1 1 31 31 SER HB2 H 1 4.177 0.004 . 2 . . . A 172 SER HB2 . 25497 1 299 . 1 1 31 31 SER HB3 H 1 3.782 0.009 . 2 . . . A 172 SER HB3 . 25497 1 300 . 1 1 31 31 SER C C 13 175.420 0.000 . 1 . . . A 172 SER C . 25497 1 301 . 1 1 31 31 SER CA C 13 58.924 0.180 . 1 . . . A 172 SER CA . 25497 1 302 . 1 1 31 31 SER CB C 13 64.675 0.103 . 1 . . . A 172 SER CB . 25497 1 303 . 1 1 31 31 SER N N 15 116.157 0.046 . 1 . . . A 172 SER N . 25497 1 304 . 1 1 32 32 THR H H 1 9.254 0.005 . 1 . . . A 173 THR H . 25497 1 305 . 1 1 32 32 THR HA H 1 5.038 0.004 . 1 . . . A 173 THR HA . 25497 1 306 . 1 1 32 32 THR HB H 1 4.798 0.005 . 1 . . . A 173 THR HB . 25497 1 307 . 1 1 32 32 THR HG21 H 1 1.353 0.007 . 1 . . . A 173 THR HG21 . 25497 1 308 . 1 1 32 32 THR HG22 H 1 1.353 0.007 . 1 . . . A 173 THR HG22 . 25497 1 309 . 1 1 32 32 THR HG23 H 1 1.353 0.007 . 1 . . . A 173 THR HG23 . 25497 1 310 . 1 1 32 32 THR CA C 13 59.237 0.006 . 1 . . . A 173 THR CA . 25497 1 311 . 1 1 32 32 THR CB C 13 70.154 0.000 . 1 . . . A 173 THR CB . 25497 1 312 . 1 1 32 32 THR CG2 C 13 21.472 0.000 . 1 . . . A 173 THR CG2 . 25497 1 313 . 1 1 32 32 THR N N 15 113.964 0.040 . 1 . . . A 173 THR N . 25497 1 314 . 1 1 33 33 PRO HA H 1 3.965 0.004 . 1 . . . A 174 PRO HA . 25497 1 315 . 1 1 33 33 PRO HB2 H 1 2.379 0.009 . 2 . . . A 174 PRO HB2 . 25497 1 316 . 1 1 33 33 PRO HB3 H 1 1.962 0.003 . 2 . . . A 174 PRO HB3 . 25497 1 317 . 1 1 33 33 PRO HG2 H 1 2.402 0.006 . 2 . . . A 174 PRO HG2 . 25497 1 318 . 1 1 33 33 PRO HG3 H 1 1.922 0.007 . 2 . . . A 174 PRO HG3 . 25497 1 319 . 1 1 33 33 PRO HD2 H 1 4.048 0.005 . 2 . . . A 174 PRO HD2 . 25497 1 320 . 1 1 33 33 PRO HD3 H 1 3.818 0.004 . 2 . . . A 174 PRO HD3 . 25497 1 321 . 1 1 33 33 PRO C C 13 178.990 0.000 . 1 . . . A 174 PRO C . 25497 1 322 . 1 1 33 33 PRO CA C 13 65.827 0.017 . 1 . . . A 174 PRO CA . 25497 1 323 . 1 1 33 33 PRO CB C 13 31.547 0.015 . 1 . . . A 174 PRO CB . 25497 1 324 . 1 1 33 33 PRO CG C 13 29.034 0.002 . 1 . . . A 174 PRO CG . 25497 1 325 . 1 1 33 33 PRO CD C 13 50.888 0.002 . 1 . . . A 174 PRO CD . 25497 1 326 . 1 1 34 34 GLU H H 1 8.692 0.006 . 1 . . . A 175 GLU H . 25497 1 327 . 1 1 34 34 GLU HA H 1 4.016 0.008 . 1 . . . A 175 GLU HA . 25497 1 328 . 1 1 34 34 GLU HB2 H 1 2.132 0.005 . 2 . . . A 175 GLU HB2 . 25497 1 329 . 1 1 34 34 GLU HB3 H 1 1.967 0.006 . 2 . . . A 175 GLU HB3 . 25497 1 330 . 1 1 34 34 GLU HG2 H 1 2.512 0.008 . 2 . . . A 175 GLU HG2 . 25497 1 331 . 1 1 34 34 GLU HG3 H 1 2.263 0.006 . 2 . . . A 175 GLU HG3 . 25497 1 332 . 1 1 34 34 GLU C C 13 178.932 0.000 . 1 . . . A 175 GLU C . 25497 1 333 . 1 1 34 34 GLU CA C 13 60.933 0.061 . 1 . . . A 175 GLU CA . 25497 1 334 . 1 1 34 34 GLU CB C 13 28.356 0.027 . 1 . . . A 175 GLU CB . 25497 1 335 . 1 1 34 34 GLU CG C 13 37.490 0.056 . 1 . . . A 175 GLU CG . 25497 1 336 . 1 1 34 34 GLU N N 15 119.405 0.016 . 1 . . . A 175 GLU N . 25497 1 337 . 1 1 35 35 ASP H H 1 7.939 0.007 . 1 . . . A 176 ASP H . 25497 1 338 . 1 1 35 35 ASP HA H 1 4.492 0.007 . 1 . . . A 176 ASP HA . 25497 1 339 . 1 1 35 35 ASP HB2 H 1 3.132 0.005 . 2 . . . A 176 ASP HB2 . 25497 1 340 . 1 1 35 35 ASP HB3 H 1 2.856 0.003 . 2 . . . A 176 ASP HB3 . 25497 1 341 . 1 1 35 35 ASP C C 13 179.823 0.000 . 1 . . . A 176 ASP C . 25497 1 342 . 1 1 35 35 ASP CA C 13 57.793 0.037 . 1 . . . A 176 ASP CA . 25497 1 343 . 1 1 35 35 ASP CB C 13 41.541 0.023 . 1 . . . A 176 ASP CB . 25497 1 344 . 1 1 35 35 ASP N N 15 120.845 0.015 . 1 . . . A 176 ASP N . 25497 1 345 . 1 1 36 36 LEU H H 1 7.603 0.004 . 1 . . . A 177 LEU H . 25497 1 346 . 1 1 36 36 LEU HA H 1 4.059 0.006 . 1 . . . A 177 LEU HA . 25497 1 347 . 1 1 36 36 LEU HB2 H 1 1.966 0.004 . 2 . . . A 177 LEU HB2 . 25497 1 348 . 1 1 36 36 LEU HB3 H 1 1.366 0.005 . 2 . . . A 177 LEU HB3 . 25497 1 349 . 1 1 36 36 LEU HG H 1 1.759 0.005 . 1 . . . A 177 LEU HG . 25497 1 350 . 1 1 36 36 LEU HD11 H 1 0.742 0.005 . 2 . . . A 177 LEU HD11 . 25497 1 351 . 1 1 36 36 LEU HD12 H 1 0.742 0.005 . 2 . . . A 177 LEU HD12 . 25497 1 352 . 1 1 36 36 LEU HD13 H 1 0.742 0.005 . 2 . . . A 177 LEU HD13 . 25497 1 353 . 1 1 36 36 LEU HD21 H 1 0.699 0.006 . 2 . . . A 177 LEU HD21 . 25497 1 354 . 1 1 36 36 LEU HD22 H 1 0.699 0.006 . 2 . . . A 177 LEU HD22 . 25497 1 355 . 1 1 36 36 LEU HD23 H 1 0.699 0.006 . 2 . . . A 177 LEU HD23 . 25497 1 356 . 1 1 36 36 LEU C C 13 178.793 0.000 . 1 . . . A 177 LEU C . 25497 1 357 . 1 1 36 36 LEU CA C 13 57.995 0.075 . 1 . . . A 177 LEU CA . 25497 1 358 . 1 1 36 36 LEU CB C 13 42.415 0.023 . 1 . . . A 177 LEU CB . 25497 1 359 . 1 1 36 36 LEU CG C 13 27.309 0.036 . 1 . . . A 177 LEU CG . 25497 1 360 . 1 1 36 36 LEU CD1 C 13 23.409 0.053 . 2 . . . A 177 LEU CD1 . 25497 1 361 . 1 1 36 36 LEU CD2 C 13 25.376 0.047 . 2 . . . A 177 LEU CD2 . 25497 1 362 . 1 1 36 36 LEU N N 15 118.240 0.038 . 1 . . . A 177 LEU N . 25497 1 363 . 1 1 37 37 THR H H 1 8.617 0.005 . 1 . . . A 178 THR H . 25497 1 364 . 1 1 37 37 THR HA H 1 3.686 0.005 . 1 . . . A 178 THR HA . 25497 1 365 . 1 1 37 37 THR HB H 1 4.291 0.007 . 1 . . . A 178 THR HB . 25497 1 366 . 1 1 37 37 THR HG21 H 1 1.131 0.006 . 1 . . . A 178 THR HG21 . 25497 1 367 . 1 1 37 37 THR HG22 H 1 1.131 0.006 . 1 . . . A 178 THR HG22 . 25497 1 368 . 1 1 37 37 THR HG23 H 1 1.131 0.006 . 1 . . . A 178 THR HG23 . 25497 1 369 . 1 1 37 37 THR C C 13 176.966 0.000 . 1 . . . A 178 THR C . 25497 1 370 . 1 1 37 37 THR CA C 13 67.701 0.096 . 1 . . . A 178 THR CA . 25497 1 371 . 1 1 37 37 THR CB C 13 68.226 0.068 . 1 . . . A 178 THR CB . 25497 1 372 . 1 1 37 37 THR CG2 C 13 21.046 0.000 . 1 . . . A 178 THR CG2 . 25497 1 373 . 1 1 37 37 THR N N 15 116.861 0.022 . 1 . . . A 178 THR N . 25497 1 374 . 1 1 38 38 GLU H H 1 8.356 0.005 . 1 . . . A 179 GLU H . 25497 1 375 . 1 1 38 38 GLU HA H 1 4.015 0.006 . 1 . . . A 179 GLU HA . 25497 1 376 . 1 1 38 38 GLU HB2 H 1 2.182 0.014 . 2 . . . A 179 GLU HB2 . 25497 1 377 . 1 1 38 38 GLU HG2 H 1 2.357 0.008 . 2 . . . A 179 GLU HG2 . 25497 1 378 . 1 1 38 38 GLU C C 13 178.447 0.000 . 1 . . . A 179 GLU C . 25497 1 379 . 1 1 38 38 GLU CA C 13 59.742 0.027 . 1 . . . A 179 GLU CA . 25497 1 380 . 1 1 38 38 GLU CB C 13 29.412 0.036 . 1 . . . A 179 GLU CB . 25497 1 381 . 1 1 38 38 GLU CG C 13 35.808 0.013 . 1 . . . A 179 GLU CG . 25497 1 382 . 1 1 38 38 GLU N N 15 123.029 0.019 . 1 . . . A 179 GLU N . 25497 1 383 . 1 1 39 39 PHE H H 1 7.705 0.006 . 1 . . . A 180 PHE H . 25497 1 384 . 1 1 39 39 PHE HA H 1 4.255 0.006 . 1 . . . A 180 PHE HA . 25497 1 385 . 1 1 39 39 PHE HB2 H 1 3.099 0.005 . 2 . . . A 180 PHE HB2 . 25497 1 386 . 1 1 39 39 PHE HB3 H 1 2.327 0.007 . 2 . . . A 180 PHE HB3 . 25497 1 387 . 1 1 39 39 PHE HD1 H 1 5.932 0.006 . 3 . . . A 180 PHE HD1 . 25497 1 388 . 1 1 39 39 PHE HD2 H 1 5.932 0.006 . 3 . . . A 180 PHE HD2 . 25497 1 389 . 1 1 39 39 PHE HE1 H 1 6.414 0.005 . 3 . . . A 180 PHE HE1 . 25497 1 390 . 1 1 39 39 PHE HE2 H 1 6.414 0.005 . 3 . . . A 180 PHE HE2 . 25497 1 391 . 1 1 39 39 PHE HZ H 1 6.593 0.004 . 1 . . . A 180 PHE HZ . 25497 1 392 . 1 1 39 39 PHE C C 13 178.367 0.000 . 1 . . . A 180 PHE C . 25497 1 393 . 1 1 39 39 PHE CA C 13 61.118 0.074 . 1 . . . A 180 PHE CA . 25497 1 394 . 1 1 39 39 PHE CB C 13 40.514 0.054 . 1 . . . A 180 PHE CB . 25497 1 395 . 1 1 39 39 PHE CD1 C 13 130.199 0.000 . 3 . . . A 180 PHE CD1 . 25497 1 396 . 1 1 39 39 PHE CD2 C 13 130.199 0.000 . 3 . . . A 180 PHE CD2 . 25497 1 397 . 1 1 39 39 PHE CE1 C 13 131.510 0.000 . 3 . . . A 180 PHE CE1 . 25497 1 398 . 1 1 39 39 PHE CE2 C 13 131.510 0.000 . 3 . . . A 180 PHE CE2 . 25497 1 399 . 1 1 39 39 PHE CZ C 13 128.992 0.000 . 1 . . . A 180 PHE CZ . 25497 1 400 . 1 1 39 39 PHE N N 15 118.665 0.066 . 1 . . . A 180 PHE N . 25497 1 401 . 1 1 40 40 PHE H H 1 8.564 0.004 . 1 . . . A 181 PHE H . 25497 1 402 . 1 1 40 40 PHE HA H 1 4.092 0.006 . 1 . . . A 181 PHE HA . 25497 1 403 . 1 1 40 40 PHE HB2 H 1 3.358 0.007 . 2 . . . A 181 PHE HB2 . 25497 1 404 . 1 1 40 40 PHE HB3 H 1 2.844 0.004 . 2 . . . A 181 PHE HB3 . 25497 1 405 . 1 1 40 40 PHE HD1 H 1 7.465 0.002 . 3 . . . A 181 PHE HD1 . 25497 1 406 . 1 1 40 40 PHE HD2 H 1 7.465 0.002 . 3 . . . A 181 PHE HD2 . 25497 1 407 . 1 1 40 40 PHE HE1 H 1 6.997 0.003 . 3 . . . A 181 PHE HE1 . 25497 1 408 . 1 1 40 40 PHE HE2 H 1 6.997 0.003 . 3 . . . A 181 PHE HE2 . 25497 1 409 . 1 1 40 40 PHE HZ H 1 6.913 0.004 . 1 . . . A 181 PHE HZ . 25497 1 410 . 1 1 40 40 PHE C C 13 177.234 0.000 . 1 . . . A 181 PHE C . 25497 1 411 . 1 1 40 40 PHE CA C 13 62.747 0.066 . 1 . . . A 181 PHE CA . 25497 1 412 . 1 1 40 40 PHE CB C 13 38.034 0.022 . 1 . . . A 181 PHE CB . 25497 1 413 . 1 1 40 40 PHE CD1 C 13 132.392 0.000 . 3 . . . A 181 PHE CD1 . 25497 1 414 . 1 1 40 40 PHE CD2 C 13 132.392 0.000 . 3 . . . A 181 PHE CD2 . 25497 1 415 . 1 1 40 40 PHE CE1 C 13 132.412 0.000 . 3 . . . A 181 PHE CE1 . 25497 1 416 . 1 1 40 40 PHE CE2 C 13 132.412 0.000 . 3 . . . A 181 PHE CE2 . 25497 1 417 . 1 1 40 40 PHE CZ C 13 129.490 0.000 . 1 . . . A 181 PHE CZ . 25497 1 418 . 1 1 40 40 PHE N N 15 113.185 0.024 . 1 . . . A 181 PHE N . 25497 1 419 . 1 1 41 41 SER H H 1 8.077 0.006 . 1 . . . A 182 SER H . 25497 1 420 . 1 1 41 41 SER HA H 1 5.255 0.004 . 1 . . . A 182 SER HA . 25497 1 421 . 1 1 41 41 SER HB2 H 1 4.062 0.003 . 2 . . . A 182 SER HB2 . 25497 1 422 . 1 1 41 41 SER C C 13 174.694 0.000 . 1 . . . A 182 SER C . 25497 1 423 . 1 1 41 41 SER CA C 13 61.462 0.054 . 1 . . . A 182 SER CA . 25497 1 424 . 1 1 41 41 SER CB C 13 63.172 0.063 . 1 . . . A 182 SER CB . 25497 1 425 . 1 1 41 41 SER N N 15 117.147 0.035 . 1 . . . A 182 SER N . 25497 1 426 . 1 1 42 42 GLN H H 1 7.163 0.005 . 1 . . . A 183 GLN H . 25497 1 427 . 1 1 42 42 GLN HA H 1 4.062 0.014 . 1 . . . A 183 GLN HA . 25497 1 428 . 1 1 42 42 GLN HB2 H 1 2.127 0.001 . 2 . . . A 183 GLN HB2 . 25497 1 429 . 1 1 42 42 GLN HB3 H 1 1.949 0.002 . 2 . . . A 183 GLN HB3 . 25497 1 430 . 1 1 42 42 GLN HG2 H 1 2.493 0.003 . 2 . . . A 183 GLN HG2 . 25497 1 431 . 1 1 42 42 GLN HG3 H 1 2.176 0.003 . 2 . . . A 183 GLN HG3 . 25497 1 432 . 1 1 42 42 GLN HE21 H 1 6.180 0.007 . 1 . . . A 183 GLN HE21 . 25497 1 433 . 1 1 42 42 GLN HE22 H 1 7.226 0.006 . 1 . . . A 183 GLN HE22 . 25497 1 434 . 1 1 42 42 GLN C C 13 177.453 0.000 . 1 . . . A 183 GLN C . 25497 1 435 . 1 1 42 42 GLN CA C 13 58.019 0.010 . 1 . . . A 183 GLN CA . 25497 1 436 . 1 1 42 42 GLN CB C 13 29.984 0.021 . 1 . . . A 183 GLN CB . 25497 1 437 . 1 1 42 42 GLN CG C 13 35.042 0.048 . 1 . . . A 183 GLN CG . 25497 1 438 . 1 1 42 42 GLN N N 15 117.568 0.025 . 1 . . . A 183 GLN N . 25497 1 439 . 1 1 42 42 GLN NE2 N 15 111.342 0.031 . 1 . . . A 183 GLN NE2 . 25497 1 440 . 1 1 43 43 ILE H H 1 7.761 0.005 . 1 . . . A 184 ILE H . 25497 1 441 . 1 1 43 43 ILE HA H 1 4.021 0.005 . 1 . . . A 184 ILE HA . 25497 1 442 . 1 1 43 43 ILE HB H 1 2.402 0.005 . 1 . . . A 184 ILE HB . 25497 1 443 . 1 1 43 43 ILE HG12 H 1 1.578 0.003 . 2 . . . A 184 ILE HG12 . 25497 1 444 . 1 1 43 43 ILE HG13 H 1 1.342 0.004 . 2 . . . A 184 ILE HG13 . 25497 1 445 . 1 1 43 43 ILE HG21 H 1 0.562 0.007 . 1 . . . A 184 ILE HG21 . 25497 1 446 . 1 1 43 43 ILE HG22 H 1 0.562 0.007 . 1 . . . A 184 ILE HG22 . 25497 1 447 . 1 1 43 43 ILE HG23 H 1 0.562 0.007 . 1 . . . A 184 ILE HG23 . 25497 1 448 . 1 1 43 43 ILE HD11 H 1 0.537 0.004 . 1 . . . A 184 ILE HD11 . 25497 1 449 . 1 1 43 43 ILE HD12 H 1 0.537 0.004 . 1 . . . A 184 ILE HD12 . 25497 1 450 . 1 1 43 43 ILE HD13 H 1 0.537 0.004 . 1 . . . A 184 ILE HD13 . 25497 1 451 . 1 1 43 43 ILE C C 13 175.303 0.000 . 1 . . . A 184 ILE C . 25497 1 452 . 1 1 43 43 ILE CA C 13 60.093 0.079 . 1 . . . A 184 ILE CA . 25497 1 453 . 1 1 43 43 ILE CB C 13 37.043 0.039 . 1 . . . A 184 ILE CB . 25497 1 454 . 1 1 43 43 ILE CG1 C 13 27.284 0.002 . 1 . . . A 184 ILE CG1 . 25497 1 455 . 1 1 43 43 ILE CG2 C 13 17.657 0.028 . 1 . . . A 184 ILE CG2 . 25497 1 456 . 1 1 43 43 ILE CD1 C 13 10.153 0.034 . 1 . . . A 184 ILE CD1 . 25497 1 457 . 1 1 43 43 ILE N N 15 117.195 0.033 . 1 . . . A 184 ILE N . 25497 1 458 . 1 1 44 44 GLY H H 1 7.329 0.005 . 1 . . . A 185 GLY H . 25497 1 459 . 1 1 44 44 GLY HA2 H 1 3.958 0.005 . 2 . . . A 185 GLY HA2 . 25497 1 460 . 1 1 44 44 GLY C C 13 170.411 0.000 . 1 . . . A 185 GLY C . 25497 1 461 . 1 1 44 44 GLY CA C 13 44.473 0.088 . 1 . . . A 185 GLY CA . 25497 1 462 . 1 1 44 44 GLY N N 15 105.572 0.023 . 1 . . . A 185 GLY N . 25497 1 463 . 1 1 45 45 LYS H H 1 8.296 0.008 . 1 . . . A 186 LYS H . 25497 1 464 . 1 1 45 45 LYS HA H 1 4.191 0.005 . 1 . . . A 186 LYS HA . 25497 1 465 . 1 1 45 45 LYS HB2 H 1 1.833 0.007 . 2 . . . A 186 LYS HB2 . 25497 1 466 . 1 1 45 45 LYS HG2 H 1 1.358 0.008 . 2 . . . A 186 LYS HG2 . 25497 1 467 . 1 1 45 45 LYS HG3 H 1 1.288 0.006 . 2 . . . A 186 LYS HG3 . 25497 1 468 . 1 1 45 45 LYS HD2 H 1 1.720 0.005 . 2 . . . A 186 LYS HD2 . 25497 1 469 . 1 1 45 45 LYS HD3 H 1 1.659 0.006 . 2 . . . A 186 LYS HD3 . 25497 1 470 . 1 1 45 45 LYS HE2 H 1 2.953 0.008 . 2 . . . A 186 LYS HE2 . 25497 1 471 . 1 1 45 45 LYS C C 13 176.635 0.000 . 1 . . . A 186 LYS C . 25497 1 472 . 1 1 45 45 LYS CA C 13 57.459 0.017 . 1 . . . A 186 LYS CA . 25497 1 473 . 1 1 45 45 LYS CB C 13 32.474 0.037 . 1 . . . A 186 LYS CB . 25497 1 474 . 1 1 45 45 LYS CG C 13 24.728 0.005 . 1 . . . A 186 LYS CG . 25497 1 475 . 1 1 45 45 LYS CD C 13 28.840 0.000 . 1 . . . A 186 LYS CD . 25497 1 476 . 1 1 45 45 LYS CE C 13 41.973 0.000 . 1 . . . A 186 LYS CE . 25497 1 477 . 1 1 45 45 LYS N N 15 117.731 0.015 . 1 . . . A 186 LYS N . 25497 1 478 . 1 1 46 46 VAL H H 1 8.725 0.007 . 1 . . . A 187 VAL H . 25497 1 479 . 1 1 46 46 VAL HA H 1 4.080 0.003 . 1 . . . A 187 VAL HA . 25497 1 480 . 1 1 46 46 VAL HB H 1 1.874 0.005 . 1 . . . A 187 VAL HB . 25497 1 481 . 1 1 46 46 VAL HG11 H 1 0.861 0.005 . 2 . . . A 187 VAL HG11 . 25497 1 482 . 1 1 46 46 VAL HG12 H 1 0.861 0.005 . 2 . . . A 187 VAL HG12 . 25497 1 483 . 1 1 46 46 VAL HG13 H 1 0.861 0.005 . 2 . . . A 187 VAL HG13 . 25497 1 484 . 1 1 46 46 VAL HG21 H 1 0.643 0.005 . 2 . . . A 187 VAL HG21 . 25497 1 485 . 1 1 46 46 VAL HG22 H 1 0.643 0.005 . 2 . . . A 187 VAL HG22 . 25497 1 486 . 1 1 46 46 VAL HG23 H 1 0.643 0.005 . 2 . . . A 187 VAL HG23 . 25497 1 487 . 1 1 46 46 VAL C C 13 176.724 0.000 . 1 . . . A 187 VAL C . 25497 1 488 . 1 1 46 46 VAL CA C 13 61.686 0.066 . 1 . . . A 187 VAL CA . 25497 1 489 . 1 1 46 46 VAL CB C 13 33.542 0.054 . 1 . . . A 187 VAL CB . 25497 1 490 . 1 1 46 46 VAL CG1 C 13 21.586 0.107 . 2 . . . A 187 VAL CG1 . 25497 1 491 . 1 1 46 46 VAL CG2 C 13 22.294 0.029 . 2 . . . A 187 VAL CG2 . 25497 1 492 . 1 1 46 46 VAL N N 15 127.649 0.032 . 1 . . . A 187 VAL N . 25497 1 493 . 1 1 47 47 VAL H H 1 9.224 0.007 . 1 . . . A 188 VAL H . 25497 1 494 . 1 1 47 47 VAL HA H 1 3.724 0.006 . 1 . . . A 188 VAL HA . 25497 1 495 . 1 1 47 47 VAL HB H 1 1.629 0.002 . 1 . . . A 188 VAL HB . 25497 1 496 . 1 1 47 47 VAL HG11 H 1 0.779 0.004 . 2 . . . A 188 VAL HG11 . 25497 1 497 . 1 1 47 47 VAL HG12 H 1 0.779 0.004 . 2 . . . A 188 VAL HG12 . 25497 1 498 . 1 1 47 47 VAL HG13 H 1 0.779 0.004 . 2 . . . A 188 VAL HG13 . 25497 1 499 . 1 1 47 47 VAL HG21 H 1 0.768 0.004 . 2 . . . A 188 VAL HG21 . 25497 1 500 . 1 1 47 47 VAL HG22 H 1 0.768 0.004 . 2 . . . A 188 VAL HG22 . 25497 1 501 . 1 1 47 47 VAL HG23 H 1 0.768 0.004 . 2 . . . A 188 VAL HG23 . 25497 1 502 . 1 1 47 47 VAL C C 13 176.170 0.000 . 1 . . . A 188 VAL C . 25497 1 503 . 1 1 47 47 VAL CA C 13 64.359 0.071 . 1 . . . A 188 VAL CA . 25497 1 504 . 1 1 47 47 VAL CB C 13 32.817 0.018 . 1 . . . A 188 VAL CB . 25497 1 505 . 1 1 47 47 VAL CG1 C 13 20.883 0.030 . 2 . . . A 188 VAL CG1 . 25497 1 506 . 1 1 47 47 VAL CG2 C 13 22.145 0.063 . 2 . . . A 188 VAL CG2 . 25497 1 507 . 1 1 47 47 VAL N N 15 128.482 0.042 . 1 . . . A 188 VAL N . 25497 1 508 . 1 1 48 48 ARG H H 1 7.221 0.005 . 1 . . . A 189 ARG H . 25497 1 509 . 1 1 48 48 ARG HA H 1 4.453 0.006 . 1 . . . A 189 ARG HA . 25497 1 510 . 1 1 48 48 ARG HB2 H 1 1.829 0.004 . 2 . . . A 189 ARG HB2 . 25497 1 511 . 1 1 48 48 ARG HB3 H 1 1.721 0.005 . 2 . . . A 189 ARG HB3 . 25497 1 512 . 1 1 48 48 ARG HG2 H 1 1.453 0.005 . 2 . . . A 189 ARG HG2 . 25497 1 513 . 1 1 48 48 ARG HG3 H 1 1.282 0.005 . 2 . . . A 189 ARG HG3 . 25497 1 514 . 1 1 48 48 ARG HD2 H 1 3.065 0.008 . 2 . . . A 189 ARG HD2 . 25497 1 515 . 1 1 48 48 ARG C C 13 172.118 0.000 . 1 . . . A 189 ARG C . 25497 1 516 . 1 1 48 48 ARG CA C 13 55.276 0.068 . 1 . . . A 189 ARG CA . 25497 1 517 . 1 1 48 48 ARG CB C 13 32.400 0.026 . 1 . . . A 189 ARG CB . 25497 1 518 . 1 1 48 48 ARG CG C 13 26.161 0.051 . 1 . . . A 189 ARG CG . 25497 1 519 . 1 1 48 48 ARG CD C 13 43.161 0.099 . 1 . . . A 189 ARG CD . 25497 1 520 . 1 1 48 48 ARG N N 15 114.691 0.079 . 1 . . . A 189 ARG N . 25497 1 521 . 1 1 49 49 ALA H H 1 8.126 0.007 . 1 . . . A 190 ALA H . 25497 1 522 . 1 1 49 49 ALA HA H 1 5.090 0.004 . 1 . . . A 190 ALA HA . 25497 1 523 . 1 1 49 49 ALA HB1 H 1 1.275 0.004 . 1 . . . A 190 ALA HB1 . 25497 1 524 . 1 1 49 49 ALA HB2 H 1 1.275 0.004 . 1 . . . A 190 ALA HB2 . 25497 1 525 . 1 1 49 49 ALA HB3 H 1 1.275 0.004 . 1 . . . A 190 ALA HB3 . 25497 1 526 . 1 1 49 49 ALA C C 13 174.812 0.000 . 1 . . . A 190 ALA C . 25497 1 527 . 1 1 49 49 ALA CA C 13 50.800 0.082 . 1 . . . A 190 ALA CA . 25497 1 528 . 1 1 49 49 ALA CB C 13 23.453 0.011 . 1 . . . A 190 ALA CB . 25497 1 529 . 1 1 49 49 ALA N N 15 123.740 0.025 . 1 . . . A 190 ALA N . 25497 1 530 . 1 1 50 50 ASP H H 1 8.810 0.006 . 1 . . . A 191 ASP H . 25497 1 531 . 1 1 50 50 ASP HA H 1 4.951 0.004 . 1 . . . A 191 ASP HA . 25497 1 532 . 1 1 50 50 ASP HB2 H 1 2.357 0.006 . 2 . . . A 191 ASP HB2 . 25497 1 533 . 1 1 50 50 ASP HB3 H 1 2.280 0.004 . 2 . . . A 191 ASP HB3 . 25497 1 534 . 1 1 50 50 ASP C C 13 174.117 0.000 . 1 . . . A 191 ASP C . 25497 1 535 . 1 1 50 50 ASP CA C 13 53.379 0.046 . 1 . . . A 191 ASP CA . 25497 1 536 . 1 1 50 50 ASP CB C 13 45.467 0.007 . 1 . . . A 191 ASP CB . 25497 1 537 . 1 1 50 50 ASP N N 15 117.983 0.060 . 1 . . . A 191 ASP N . 25497 1 538 . 1 1 51 51 ILE H H 1 8.420 0.008 . 1 . . . A 192 ILE H . 25497 1 539 . 1 1 51 51 ILE HA H 1 4.363 0.011 . 1 . . . A 192 ILE HA . 25497 1 540 . 1 1 51 51 ILE HB H 1 1.687 0.006 . 1 . . . A 192 ILE HB . 25497 1 541 . 1 1 51 51 ILE HG12 H 1 1.263 0.004 . 2 . . . A 192 ILE HG12 . 25497 1 542 . 1 1 51 51 ILE HG13 H 1 1.183 0.003 . 2 . . . A 192 ILE HG13 . 25497 1 543 . 1 1 51 51 ILE HG21 H 1 0.252 0.012 . 1 . . . A 192 ILE HG21 . 25497 1 544 . 1 1 51 51 ILE HG22 H 1 0.252 0.012 . 1 . . . A 192 ILE HG22 . 25497 1 545 . 1 1 51 51 ILE HG23 H 1 0.252 0.012 . 1 . . . A 192 ILE HG23 . 25497 1 546 . 1 1 51 51 ILE HD11 H 1 0.457 0.004 . 1 . . . A 192 ILE HD11 . 25497 1 547 . 1 1 51 51 ILE HD12 H 1 0.457 0.004 . 1 . . . A 192 ILE HD12 . 25497 1 548 . 1 1 51 51 ILE HD13 H 1 0.457 0.004 . 1 . . . A 192 ILE HD13 . 25497 1 549 . 1 1 51 51 ILE C C 13 176.289 0.000 . 1 . . . A 192 ILE C . 25497 1 550 . 1 1 51 51 ILE CA C 13 57.758 0.096 . 1 . . . A 192 ILE CA . 25497 1 551 . 1 1 51 51 ILE CB C 13 37.752 0.000 . 1 . . . A 192 ILE CB . 25497 1 552 . 1 1 51 51 ILE CG1 C 13 26.191 0.000 . 1 . . . A 192 ILE CG1 . 25497 1 553 . 1 1 51 51 ILE CG2 C 13 15.102 0.000 . 1 . . . A 192 ILE CG2 . 25497 1 554 . 1 1 51 51 ILE CD1 C 13 10.106 0.000 . 1 . . . A 192 ILE CD1 . 25497 1 555 . 1 1 51 51 ILE N N 15 119.482 0.024 . 1 . . . A 192 ILE N . 25497 1 556 . 1 1 52 52 ILE H H 1 8.395 0.005 . 1 . . . A 193 ILE H . 25497 1 557 . 1 1 52 52 ILE HA H 1 4.103 0.003 . 1 . . . A 193 ILE HA . 25497 1 558 . 1 1 52 52 ILE HB H 1 1.586 0.002 . 1 . . . A 193 ILE HB . 25497 1 559 . 1 1 52 52 ILE HG12 H 1 1.397 0.007 . 2 . . . A 193 ILE HG12 . 25497 1 560 . 1 1 52 52 ILE HG13 H 1 1.061 0.003 . 2 . . . A 193 ILE HG13 . 25497 1 561 . 1 1 52 52 ILE HG21 H 1 0.859 0.000 . 1 . . . A 193 ILE HG21 . 25497 1 562 . 1 1 52 52 ILE HG22 H 1 0.859 0.000 . 1 . . . A 193 ILE HG22 . 25497 1 563 . 1 1 52 52 ILE HG23 H 1 0.859 0.000 . 1 . . . A 193 ILE HG23 . 25497 1 564 . 1 1 52 52 ILE HD11 H 1 0.808 0.005 . 1 . . . A 193 ILE HD11 . 25497 1 565 . 1 1 52 52 ILE HD12 H 1 0.808 0.005 . 1 . . . A 193 ILE HD12 . 25497 1 566 . 1 1 52 52 ILE HD13 H 1 0.808 0.005 . 1 . . . A 193 ILE HD13 . 25497 1 567 . 1 1 52 52 ILE CA C 13 61.236 0.045 . 1 . . . A 193 ILE CA . 25497 1 568 . 1 1 52 52 ILE CB C 13 37.317 0.000 . 1 . . . A 193 ILE CB . 25497 1 569 . 1 1 52 52 ILE CG1 C 13 27.988 0.034 . 1 . . . A 193 ILE CG1 . 25497 1 570 . 1 1 52 52 ILE CG2 C 13 17.415 0.000 . 1 . . . A 193 ILE CG2 . 25497 1 571 . 1 1 52 52 ILE CD1 C 13 12.696 0.000 . 1 . . . A 193 ILE CD1 . 25497 1 572 . 1 1 52 52 ILE N N 15 128.031 0.074 . 1 . . . A 193 ILE N . 25497 1 573 . 1 1 53 53 THR H H 1 8.088 0.001 . 1 . . . A 194 THR H . 25497 1 574 . 1 1 53 53 THR HA H 1 5.051 0.006 . 1 . . . A 194 THR HA . 25497 1 575 . 1 1 53 53 THR HB H 1 3.730 0.001 . 1 . . . A 194 THR HB . 25497 1 576 . 1 1 53 53 THR HG21 H 1 0.936 0.010 . 1 . . . A 194 THR HG21 . 25497 1 577 . 1 1 53 53 THR HG22 H 1 0.936 0.010 . 1 . . . A 194 THR HG22 . 25497 1 578 . 1 1 53 53 THR HG23 H 1 0.936 0.010 . 1 . . . A 194 THR HG23 . 25497 1 579 . 1 1 53 53 THR CA C 13 59.175 0.144 . 1 . . . A 194 THR CA . 25497 1 580 . 1 1 53 53 THR CB C 13 71.949 0.023 . 1 . . . A 194 THR CB . 25497 1 581 . 1 1 53 53 THR CG2 C 13 23.585 0.010 . 1 . . . A 194 THR CG2 . 25497 1 582 . 1 1 53 53 THR N N 15 117.495 0.001 . 1 . . . A 194 THR N . 25497 1 583 . 1 1 55 55 ARG HA H 1 3.921 0.009 . 1 . . . A 196 ARG HA . 25497 1 584 . 1 1 55 55 ARG HB2 H 1 1.959 0.000 . 2 . . . A 196 ARG HB2 . 25497 1 585 . 1 1 55 55 ARG HB3 H 1 1.855 0.000 . 2 . . . A 196 ARG HB3 . 25497 1 586 . 1 1 55 55 ARG HG2 H 1 1.625 0.000 . 2 . . . A 196 ARG HG2 . 25497 1 587 . 1 1 55 55 ARG HG3 H 1 1.581 0.005 . 2 . . . A 196 ARG HG3 . 25497 1 588 . 1 1 55 55 ARG HD2 H 1 3.163 0.000 . 2 . . . A 196 ARG HD2 . 25497 1 589 . 1 1 55 55 ARG CA C 13 56.997 0.058 . 1 . . . A 196 ARG CA . 25497 1 590 . 1 1 55 55 ARG CB C 13 30.689 0.004 . 1 . . . A 196 ARG CB . 25497 1 591 . 1 1 55 55 ARG CG C 13 27.583 0.006 . 1 . . . A 196 ARG CG . 25497 1 592 . 1 1 55 55 ARG CD C 13 43.079 0.000 . 1 . . . A 196 ARG CD . 25497 1 593 . 1 1 56 56 GLY H H 1 8.647 0.011 . 1 . . . A 197 GLY H . 25497 1 594 . 1 1 56 56 GLY HA2 H 1 4.081 0.008 . 2 . . . A 197 GLY HA2 . 25497 1 595 . 1 1 56 56 GLY HA3 H 1 3.563 0.005 . 2 . . . A 197 GLY HA3 . 25497 1 596 . 1 1 56 56 GLY CA C 13 45.040 0.074 . 1 . . . A 197 GLY CA . 25497 1 597 . 1 1 56 56 GLY N N 15 103.986 0.055 . 1 . . . A 197 GLY N . 25497 1 598 . 1 1 57 57 HIS H H 1 8.028 0.008 . 1 . . . A 198 HIS H . 25497 1 599 . 1 1 57 57 HIS HA H 1 4.805 0.018 . 1 . . . A 198 HIS HA . 25497 1 600 . 1 1 57 57 HIS HB2 H 1 3.165 0.000 . 2 . . . A 198 HIS HB2 . 25497 1 601 . 1 1 57 57 HIS HB3 H 1 3.093 0.000 . 2 . . . A 198 HIS HB3 . 25497 1 602 . 1 1 57 57 HIS HD2 H 1 7.129 0.005 . 1 . . . A 198 HIS HD2 . 25497 1 603 . 1 1 57 57 HIS HE1 H 1 8.182 0.006 . 1 . . . A 198 HIS HE1 . 25497 1 604 . 1 1 57 57 HIS CA C 13 54.562 0.134 . 1 . . . A 198 HIS CA . 25497 1 605 . 1 1 57 57 HIS CB C 13 30.115 0.064 . 1 . . . A 198 HIS CB . 25497 1 606 . 1 1 57 57 HIS CD2 C 13 120.212 0.000 . 1 . . . A 198 HIS CD2 . 25497 1 607 . 1 1 57 57 HIS CE1 C 13 136.729 0.000 . 1 . . . A 198 HIS CE1 . 25497 1 608 . 1 1 57 57 HIS N N 15 118.778 0.044 . 1 . . . A 198 HIS N . 25497 1 609 . 1 1 58 58 HIS HA H 1 4.110 0.000 . 1 . . . A 199 HIS HA . 25497 1 610 . 1 1 58 58 HIS HB2 H 1 3.145 0.001 . 2 . . . A 199 HIS HB2 . 25497 1 611 . 1 1 58 58 HIS HD2 H 1 7.065 0.004 . 1 . . . A 199 HIS HD2 . 25497 1 612 . 1 1 58 58 HIS CA C 13 57.666 0.000 . 1 . . . A 199 HIS CA . 25497 1 613 . 1 1 58 58 HIS CB C 13 32.477 0.000 . 1 . . . A 199 HIS CB . 25497 1 614 . 1 1 58 58 HIS CD2 C 13 119.640 0.000 . 1 . . . A 199 HIS CD2 . 25497 1 615 . 1 1 60 60 GLY HA2 H 1 3.982 0.003 . 2 . . . A 201 GLY HA2 . 25497 1 616 . 1 1 60 60 GLY HA3 H 1 3.597 0.005 . 2 . . . A 201 GLY HA3 . 25497 1 617 . 1 1 60 60 GLY C C 13 173.435 0.000 . 1 . . . A 201 GLY C . 25497 1 618 . 1 1 60 60 GLY CA C 13 46.908 0.033 . 1 . . . A 201 GLY CA . 25497 1 619 . 1 1 61 61 MET H H 1 7.381 0.009 . 1 . . . A 202 MET H . 25497 1 620 . 1 1 61 61 MET HA H 1 5.253 0.011 . 1 . . . A 202 MET HA . 25497 1 621 . 1 1 61 61 MET HB2 H 1 2.207 0.007 . 2 . . . A 202 MET HB2 . 25497 1 622 . 1 1 61 61 MET HB3 H 1 1.748 0.005 . 2 . . . A 202 MET HB3 . 25497 1 623 . 1 1 61 61 MET HG2 H 1 2.618 0.006 . 2 . . . A 202 MET HG2 . 25497 1 624 . 1 1 61 61 MET HE1 H 1 2.266 0.006 . 1 . . . A 202 MET HE1 . 25497 1 625 . 1 1 61 61 MET HE2 H 1 2.266 0.006 . 1 . . . A 202 MET HE2 . 25497 1 626 . 1 1 61 61 MET HE3 H 1 2.266 0.006 . 1 . . . A 202 MET HE3 . 25497 1 627 . 1 1 61 61 MET C C 13 174.086 0.000 . 1 . . . A 202 MET C . 25497 1 628 . 1 1 61 61 MET CA C 13 53.424 0.090 . 1 . . . A 202 MET CA . 25497 1 629 . 1 1 61 61 MET CB C 13 37.414 0.042 . 1 . . . A 202 MET CB . 25497 1 630 . 1 1 61 61 MET CG C 13 32.000 0.017 . 1 . . . A 202 MET CG . 25497 1 631 . 1 1 61 61 MET CE C 13 17.837 0.000 . 1 . . . A 202 MET CE . 25497 1 632 . 1 1 61 61 MET N N 15 114.795 0.118 . 1 . . . A 202 MET N . 25497 1 633 . 1 1 62 62 GLY H H 1 8.930 0.008 . 1 . . . A 203 GLY H . 25497 1 634 . 1 1 62 62 GLY HA2 H 1 4.499 0.009 . 2 . . . A 203 GLY HA2 . 25497 1 635 . 1 1 62 62 GLY HA3 H 1 3.725 0.006 . 2 . . . A 203 GLY HA3 . 25497 1 636 . 1 1 62 62 GLY C C 13 169.939 0.000 . 1 . . . A 203 GLY C . 25497 1 637 . 1 1 62 62 GLY CA C 13 45.516 0.070 . 1 . . . A 203 GLY CA . 25497 1 638 . 1 1 62 62 GLY N N 15 108.519 0.053 . 1 . . . A 203 GLY N . 25497 1 639 . 1 1 63 63 THR H H 1 8.878 0.008 . 1 . . . A 204 THR H . 25497 1 640 . 1 1 63 63 THR HA H 1 5.363 0.004 . 1 . . . A 204 THR HA . 25497 1 641 . 1 1 63 63 THR HB H 1 4.021 0.006 . 1 . . . A 204 THR HB . 25497 1 642 . 1 1 63 63 THR HG21 H 1 1.064 0.005 . 1 . . . A 204 THR HG21 . 25497 1 643 . 1 1 63 63 THR HG22 H 1 1.064 0.005 . 1 . . . A 204 THR HG22 . 25497 1 644 . 1 1 63 63 THR HG23 H 1 1.064 0.005 . 1 . . . A 204 THR HG23 . 25497 1 645 . 1 1 63 63 THR C C 13 173.412 0.000 . 1 . . . A 204 THR C . 25497 1 646 . 1 1 63 63 THR CA C 13 59.086 0.084 . 1 . . . A 204 THR CA . 25497 1 647 . 1 1 63 63 THR CB C 13 72.233 0.024 . 1 . . . A 204 THR CB . 25497 1 648 . 1 1 63 63 THR CG2 C 13 21.619 0.000 . 1 . . . A 204 THR CG2 . 25497 1 649 . 1 1 63 63 THR N N 15 109.307 0.090 . 1 . . . A 204 THR N . 25497 1 650 . 1 1 64 64 VAL H H 1 8.039 0.010 . 1 . . . A 205 VAL H . 25497 1 651 . 1 1 64 64 VAL HA H 1 4.198 0.004 . 1 . . . A 205 VAL HA . 25497 1 652 . 1 1 64 64 VAL HB H 1 1.140 0.005 . 1 . . . A 205 VAL HB . 25497 1 653 . 1 1 64 64 VAL HG11 H 1 0.455 0.005 . 2 . . . A 205 VAL HG11 . 25497 1 654 . 1 1 64 64 VAL HG12 H 1 0.455 0.005 . 2 . . . A 205 VAL HG12 . 25497 1 655 . 1 1 64 64 VAL HG13 H 1 0.455 0.005 . 2 . . . A 205 VAL HG13 . 25497 1 656 . 1 1 64 64 VAL HG21 H 1 0.077 0.004 . 2 . . . A 205 VAL HG21 . 25497 1 657 . 1 1 64 64 VAL HG22 H 1 0.077 0.004 . 2 . . . A 205 VAL HG22 . 25497 1 658 . 1 1 64 64 VAL HG23 H 1 0.077 0.004 . 2 . . . A 205 VAL HG23 . 25497 1 659 . 1 1 64 64 VAL C C 13 172.536 0.000 . 1 . . . A 205 VAL C . 25497 1 660 . 1 1 64 64 VAL CA C 13 61.308 0.082 . 1 . . . A 205 VAL CA . 25497 1 661 . 1 1 64 64 VAL CB C 13 34.756 0.044 . 1 . . . A 205 VAL CB . 25497 1 662 . 1 1 64 64 VAL CG1 C 13 21.929 0.069 . 2 . . . A 205 VAL CG1 . 25497 1 663 . 1 1 64 64 VAL CG2 C 13 21.825 0.000 . 2 . . . A 205 VAL CG2 . 25497 1 664 . 1 1 64 64 VAL N N 15 119.920 0.077 . 1 . . . A 205 VAL N . 25497 1 665 . 1 1 65 65 GLU H H 1 8.622 0.005 . 1 . . . A 206 GLU H . 25497 1 666 . 1 1 65 65 GLU HA H 1 4.731 0.001 . 1 . . . A 206 GLU HA . 25497 1 667 . 1 1 65 65 GLU HB2 H 1 1.832 0.005 . 2 . . . A 206 GLU HB2 . 25497 1 668 . 1 1 65 65 GLU HB3 H 1 1.644 0.013 . 2 . . . A 206 GLU HB3 . 25497 1 669 . 1 1 65 65 GLU HG2 H 1 2.343 0.005 . 2 . . . A 206 GLU HG2 . 25497 1 670 . 1 1 65 65 GLU HG3 H 1 2.158 0.006 . 2 . . . A 206 GLU HG3 . 25497 1 671 . 1 1 65 65 GLU C C 13 175.324 0.000 . 1 . . . A 206 GLU C . 25497 1 672 . 1 1 65 65 GLU CA C 13 54.943 0.022 . 1 . . . A 206 GLU CA . 25497 1 673 . 1 1 65 65 GLU CB C 13 32.595 0.045 . 1 . . . A 206 GLU CB . 25497 1 674 . 1 1 65 65 GLU CG C 13 35.664 0.014 . 1 . . . A 206 GLU CG . 25497 1 675 . 1 1 65 65 GLU N N 15 127.799 0.066 . 1 . . . A 206 GLU N . 25497 1 676 . 1 1 66 66 PHE H H 1 9.010 0.007 . 1 . . . A 207 PHE H . 25497 1 677 . 1 1 66 66 PHE HA H 1 5.411 0.004 . 1 . . . A 207 PHE HA . 25497 1 678 . 1 1 66 66 PHE HB2 H 1 3.923 0.005 . 2 . . . A 207 PHE HB2 . 25497 1 679 . 1 1 66 66 PHE HB3 H 1 3.062 0.007 . 2 . . . A 207 PHE HB3 . 25497 1 680 . 1 1 66 66 PHE HD1 H 1 7.173 0.002 . 3 . . . A 207 PHE HD1 . 25497 1 681 . 1 1 66 66 PHE HD2 H 1 7.173 0.002 . 3 . . . A 207 PHE HD2 . 25497 1 682 . 1 1 66 66 PHE HE1 H 1 7.010 0.003 . 3 . . . A 207 PHE HE1 . 25497 1 683 . 1 1 66 66 PHE HE2 H 1 7.010 0.003 . 3 . . . A 207 PHE HE2 . 25497 1 684 . 1 1 66 66 PHE HZ H 1 6.950 0.003 . 1 . . . A 207 PHE HZ . 25497 1 685 . 1 1 66 66 PHE C C 13 175.340 0.000 . 1 . . . A 207 PHE C . 25497 1 686 . 1 1 66 66 PHE CA C 13 57.473 0.057 . 1 . . . A 207 PHE CA . 25497 1 687 . 1 1 66 66 PHE CB C 13 41.255 0.011 . 1 . . . A 207 PHE CB . 25497 1 688 . 1 1 66 66 PHE CD1 C 13 130.800 0.000 . 3 . . . A 207 PHE CD1 . 25497 1 689 . 1 1 66 66 PHE CD2 C 13 130.800 0.000 . 3 . . . A 207 PHE CD2 . 25497 1 690 . 1 1 66 66 PHE CE1 C 13 132.730 0.000 . 3 . . . A 207 PHE CE1 . 25497 1 691 . 1 1 66 66 PHE CE2 C 13 132.730 0.000 . 3 . . . A 207 PHE CE2 . 25497 1 692 . 1 1 66 66 PHE CZ C 13 127.817 0.000 . 1 . . . A 207 PHE CZ . 25497 1 693 . 1 1 66 66 PHE N N 15 125.872 0.040 . 1 . . . A 207 PHE N . 25497 1 694 . 1 1 67 67 THR H H 1 9.736 0.007 . 1 . . . A 208 THR H . 25497 1 695 . 1 1 67 67 THR HA H 1 4.275 0.007 . 1 . . . A 208 THR HA . 25497 1 696 . 1 1 67 67 THR HB H 1 4.461 0.008 . 1 . . . A 208 THR HB . 25497 1 697 . 1 1 67 67 THR HG21 H 1 1.233 0.006 . 1 . . . A 208 THR HG21 . 25497 1 698 . 1 1 67 67 THR HG22 H 1 1.233 0.006 . 1 . . . A 208 THR HG22 . 25497 1 699 . 1 1 67 67 THR HG23 H 1 1.233 0.006 . 1 . . . A 208 THR HG23 . 25497 1 700 . 1 1 67 67 THR C C 13 174.237 0.000 . 1 . . . A 208 THR C . 25497 1 701 . 1 1 67 67 THR CA C 13 63.173 0.072 . 1 . . . A 208 THR CA . 25497 1 702 . 1 1 67 67 THR CB C 13 70.987 0.019 . 1 . . . A 208 THR CB . 25497 1 703 . 1 1 67 67 THR CG2 C 13 22.303 0.026 . 1 . . . A 208 THR CG2 . 25497 1 704 . 1 1 67 67 THR N N 15 109.186 0.020 . 1 . . . A 208 THR N . 25497 1 705 . 1 1 68 68 ASN H H 1 7.654 0.005 . 1 . . . A 209 ASN H . 25497 1 706 . 1 1 68 68 ASN HA H 1 4.836 0.008 . 1 . . . A 209 ASN HA . 25497 1 707 . 1 1 68 68 ASN HB2 H 1 2.973 0.004 . 2 . . . A 209 ASN HB2 . 25497 1 708 . 1 1 68 68 ASN HB3 H 1 2.892 0.009 . 2 . . . A 209 ASN HB3 . 25497 1 709 . 1 1 68 68 ASN HD21 H 1 6.698 0.002 . 1 . . . A 209 ASN HD21 . 25497 1 710 . 1 1 68 68 ASN HD22 H 1 7.101 0.003 . 1 . . . A 209 ASN HD22 . 25497 1 711 . 1 1 68 68 ASN C C 13 174.245 0.000 . 1 . . . A 209 ASN C . 25497 1 712 . 1 1 68 68 ASN CA C 13 52.944 0.022 . 1 . . . A 209 ASN CA . 25497 1 713 . 1 1 68 68 ASN CB C 13 41.333 0.021 . 1 . . . A 209 ASN CB . 25497 1 714 . 1 1 68 68 ASN N N 15 114.673 0.037 . 1 . . . A 209 ASN N . 25497 1 715 . 1 1 68 68 ASN ND2 N 15 115.246 0.001 . 1 . . . A 209 ASN ND2 . 25497 1 716 . 1 1 69 69 SER H H 1 8.607 0.005 . 1 . . . A 210 SER H . 25497 1 717 . 1 1 69 69 SER HA H 1 4.286 0.002 . 1 . . . A 210 SER HA . 25497 1 718 . 1 1 69 69 SER HB2 H 1 4.114 0.007 . 2 . . . A 210 SER HB2 . 25497 1 719 . 1 1 69 69 SER HB3 H 1 3.924 0.008 . 2 . . . A 210 SER HB3 . 25497 1 720 . 1 1 69 69 SER C C 13 176.809 0.000 . 1 . . . A 210 SER C . 25497 1 721 . 1 1 69 69 SER CA C 13 60.490 0.028 . 1 . . . A 210 SER CA . 25497 1 722 . 1 1 69 69 SER CB C 13 63.283 0.005 . 1 . . . A 210 SER CB . 25497 1 723 . 1 1 69 69 SER N N 15 113.247 0.032 . 1 . . . A 210 SER N . 25497 1 724 . 1 1 70 70 ASP H H 1 8.430 0.005 . 1 . . . A 211 ASP H . 25497 1 725 . 1 1 70 70 ASP HA H 1 4.487 0.005 . 1 . . . A 211 ASP HA . 25497 1 726 . 1 1 70 70 ASP HB2 H 1 2.716 0.002 . 2 . . . A 211 ASP HB2 . 25497 1 727 . 1 1 70 70 ASP HB3 H 1 2.608 0.006 . 2 . . . A 211 ASP HB3 . 25497 1 728 . 1 1 70 70 ASP C C 13 178.971 0.000 . 1 . . . A 211 ASP C . 25497 1 729 . 1 1 70 70 ASP CA C 13 57.524 0.005 . 1 . . . A 211 ASP CA . 25497 1 730 . 1 1 70 70 ASP CB C 13 40.017 0.009 . 1 . . . A 211 ASP CB . 25497 1 731 . 1 1 70 70 ASP N N 15 127.074 0.035 . 1 . . . A 211 ASP N . 25497 1 732 . 1 1 71 71 ASP H H 1 8.048 0.006 . 1 . . . A 212 ASP H . 25497 1 733 . 1 1 71 71 ASP HA H 1 4.016 0.007 . 1 . . . A 212 ASP HA . 25497 1 734 . 1 1 71 71 ASP HB2 H 1 2.071 0.006 . 2 . . . A 212 ASP HB2 . 25497 1 735 . 1 1 71 71 ASP HB3 H 1 1.414 0.011 . 2 . . . A 212 ASP HB3 . 25497 1 736 . 1 1 71 71 ASP C C 13 176.930 0.000 . 1 . . . A 212 ASP C . 25497 1 737 . 1 1 71 71 ASP CA C 13 57.047 0.062 . 1 . . . A 212 ASP CA . 25497 1 738 . 1 1 71 71 ASP CB C 13 39.207 0.021 . 1 . . . A 212 ASP CB . 25497 1 739 . 1 1 71 71 ASP N N 15 121.159 0.026 . 1 . . . A 212 ASP N . 25497 1 740 . 1 1 72 72 VAL H H 1 6.408 0.010 . 1 . . . A 213 VAL H . 25497 1 741 . 1 1 72 72 VAL HA H 1 3.256 0.005 . 1 . . . A 213 VAL HA . 25497 1 742 . 1 1 72 72 VAL HB H 1 2.405 0.006 . 1 . . . A 213 VAL HB . 25497 1 743 . 1 1 72 72 VAL HG11 H 1 1.152 0.005 . 2 . . . A 213 VAL HG11 . 25497 1 744 . 1 1 72 72 VAL HG12 H 1 1.152 0.005 . 2 . . . A 213 VAL HG12 . 25497 1 745 . 1 1 72 72 VAL HG13 H 1 1.152 0.005 . 2 . . . A 213 VAL HG13 . 25497 1 746 . 1 1 72 72 VAL HG21 H 1 0.958 0.005 . 2 . . . A 213 VAL HG21 . 25497 1 747 . 1 1 72 72 VAL HG22 H 1 0.958 0.005 . 2 . . . A 213 VAL HG22 . 25497 1 748 . 1 1 72 72 VAL HG23 H 1 0.958 0.005 . 2 . . . A 213 VAL HG23 . 25497 1 749 . 1 1 72 72 VAL C C 13 176.598 0.000 . 1 . . . A 213 VAL C . 25497 1 750 . 1 1 72 72 VAL CA C 13 66.634 0.071 . 1 . . . A 213 VAL CA . 25497 1 751 . 1 1 72 72 VAL CB C 13 31.517 0.047 . 1 . . . A 213 VAL CB . 25497 1 752 . 1 1 72 72 VAL CG1 C 13 23.849 0.040 . 2 . . . A 213 VAL CG1 . 25497 1 753 . 1 1 72 72 VAL CG2 C 13 20.511 0.067 . 2 . . . A 213 VAL CG2 . 25497 1 754 . 1 1 72 72 VAL N N 15 118.979 0.032 . 1 . . . A 213 VAL N . 25497 1 755 . 1 1 73 73 ASP H H 1 7.252 0.007 . 1 . . . A 214 ASP H . 25497 1 756 . 1 1 73 73 ASP HA H 1 4.322 0.007 . 1 . . . A 214 ASP HA . 25497 1 757 . 1 1 73 73 ASP HB2 H 1 2.818 0.005 . 2 . . . A 214 ASP HB2 . 25497 1 758 . 1 1 73 73 ASP HB3 H 1 2.721 0.004 . 2 . . . A 214 ASP HB3 . 25497 1 759 . 1 1 73 73 ASP C C 13 179.051 0.000 . 1 . . . A 214 ASP C . 25497 1 760 . 1 1 73 73 ASP CA C 13 57.621 0.069 . 1 . . . A 214 ASP CA . 25497 1 761 . 1 1 73 73 ASP CB C 13 41.161 0.033 . 1 . . . A 214 ASP CB . 25497 1 762 . 1 1 73 73 ASP N N 15 117.618 0.024 . 1 . . . A 214 ASP N . 25497 1 763 . 1 1 74 74 ARG H H 1 8.050 0.006 . 1 . . . A 215 ARG H . 25497 1 764 . 1 1 74 74 ARG HA H 1 3.874 0.005 . 1 . . . A 215 ARG HA . 25497 1 765 . 1 1 74 74 ARG HB2 H 1 1.728 0.003 . 2 . . . A 215 ARG HB2 . 25497 1 766 . 1 1 74 74 ARG HG2 H 1 1.829 0.002 . 2 . . . A 215 ARG HG2 . 25497 1 767 . 1 1 74 74 ARG HG3 H 1 1.532 0.004 . 2 . . . A 215 ARG HG3 . 25497 1 768 . 1 1 74 74 ARG HD2 H 1 3.224 0.009 . 2 . . . A 215 ARG HD2 . 25497 1 769 . 1 1 74 74 ARG HD3 H 1 3.184 0.005 . 2 . . . A 215 ARG HD3 . 25497 1 770 . 1 1 74 74 ARG C C 13 178.080 0.000 . 1 . . . A 215 ARG C . 25497 1 771 . 1 1 74 74 ARG CA C 13 59.778 0.086 . 1 . . . A 215 ARG CA . 25497 1 772 . 1 1 74 74 ARG CB C 13 30.535 0.014 . 1 . . . A 215 ARG CB . 25497 1 773 . 1 1 74 74 ARG CG C 13 28.453 0.015 . 1 . . . A 215 ARG CG . 25497 1 774 . 1 1 74 74 ARG CD C 13 43.221 0.000 . 1 . . . A 215 ARG CD . 25497 1 775 . 1 1 74 74 ARG N N 15 118.058 0.038 . 1 . . . A 215 ARG N . 25497 1 776 . 1 1 75 75 ALA H H 1 8.374 0.004 . 1 . . . A 216 ALA H . 25497 1 777 . 1 1 75 75 ALA HA H 1 4.028 0.006 . 1 . . . A 216 ALA HA . 25497 1 778 . 1 1 75 75 ALA HB1 H 1 1.727 0.008 . 1 . . . A 216 ALA HB1 . 25497 1 779 . 1 1 75 75 ALA HB2 H 1 1.727 0.008 . 1 . . . A 216 ALA HB2 . 25497 1 780 . 1 1 75 75 ALA HB3 H 1 1.727 0.008 . 1 . . . A 216 ALA HB3 . 25497 1 781 . 1 1 75 75 ALA C C 13 179.582 0.000 . 1 . . . A 216 ALA C . 25497 1 782 . 1 1 75 75 ALA CA C 13 55.679 0.051 . 1 . . . A 216 ALA CA . 25497 1 783 . 1 1 75 75 ALA CB C 13 19.163 0.024 . 1 . . . A 216 ALA CB . 25497 1 784 . 1 1 75 75 ALA N N 15 121.746 0.027 . 1 . . . A 216 ALA N . 25497 1 785 . 1 1 76 76 ILE H H 1 8.091 0.005 . 1 . . . A 217 ILE H . 25497 1 786 . 1 1 76 76 ILE HA H 1 3.489 0.004 . 1 . . . A 217 ILE HA . 25497 1 787 . 1 1 76 76 ILE HB H 1 1.894 0.003 . 1 . . . A 217 ILE HB . 25497 1 788 . 1 1 76 76 ILE HG12 H 1 1.932 0.002 . 2 . . . A 217 ILE HG12 . 25497 1 789 . 1 1 76 76 ILE HG13 H 1 0.737 0.005 . 2 . . . A 217 ILE HG13 . 25497 1 790 . 1 1 76 76 ILE HG21 H 1 1.027 0.003 . 1 . . . A 217 ILE HG21 . 25497 1 791 . 1 1 76 76 ILE HG22 H 1 1.027 0.003 . 1 . . . A 217 ILE HG22 . 25497 1 792 . 1 1 76 76 ILE HG23 H 1 1.027 0.003 . 1 . . . A 217 ILE HG23 . 25497 1 793 . 1 1 76 76 ILE HD11 H 1 0.938 0.003 . 1 . . . A 217 ILE HD11 . 25497 1 794 . 1 1 76 76 ILE HD12 H 1 0.938 0.003 . 1 . . . A 217 ILE HD12 . 25497 1 795 . 1 1 76 76 ILE HD13 H 1 0.938 0.003 . 1 . . . A 217 ILE HD13 . 25497 1 796 . 1 1 76 76 ILE C C 13 178.360 0.000 . 1 . . . A 217 ILE C . 25497 1 797 . 1 1 76 76 ILE CA C 13 65.847 0.091 . 1 . . . A 217 ILE CA . 25497 1 798 . 1 1 76 76 ILE CB C 13 39.227 0.041 . 1 . . . A 217 ILE CB . 25497 1 799 . 1 1 76 76 ILE CG1 C 13 29.749 0.045 . 1 . . . A 217 ILE CG1 . 25497 1 800 . 1 1 76 76 ILE CG2 C 13 17.135 0.017 . 1 . . . A 217 ILE CG2 . 25497 1 801 . 1 1 76 76 ILE CD1 C 13 15.549 0.004 . 1 . . . A 217 ILE CD1 . 25497 1 802 . 1 1 76 76 ILE N N 15 118.266 0.045 . 1 . . . A 217 ILE N . 25497 1 803 . 1 1 77 77 ARG H H 1 8.051 0.007 . 1 . . . A 218 ARG H . 25497 1 804 . 1 1 77 77 ARG HA H 1 4.056 0.007 . 1 . . . A 218 ARG HA . 25497 1 805 . 1 1 77 77 ARG HB2 H 1 1.890 0.002 . 2 . . . A 218 ARG HB2 . 25497 1 806 . 1 1 77 77 ARG HG2 H 1 1.809 0.002 . 2 . . . A 218 ARG HG2 . 25497 1 807 . 1 1 77 77 ARG HG3 H 1 1.669 0.005 . 2 . . . A 218 ARG HG3 . 25497 1 808 . 1 1 77 77 ARG HD2 H 1 3.232 0.004 . 2 . . . A 218 ARG HD2 . 25497 1 809 . 1 1 77 77 ARG HD3 H 1 3.154 0.003 . 2 . . . A 218 ARG HD3 . 25497 1 810 . 1 1 77 77 ARG C C 13 178.981 0.000 . 1 . . . A 218 ARG C . 25497 1 811 . 1 1 77 77 ARG CA C 13 59.290 0.040 . 1 . . . A 218 ARG CA . 25497 1 812 . 1 1 77 77 ARG CB C 13 30.460 0.000 . 1 . . . A 218 ARG CB . 25497 1 813 . 1 1 77 77 ARG CG C 13 27.985 0.026 . 1 . . . A 218 ARG CG . 25497 1 814 . 1 1 77 77 ARG CD C 13 43.218 0.004 . 1 . . . A 218 ARG CD . 25497 1 815 . 1 1 77 77 ARG N N 15 117.035 0.041 . 1 . . . A 218 ARG N . 25497 1 816 . 1 1 78 78 GLN H H 1 8.363 0.007 . 1 . . . A 219 GLN H . 25497 1 817 . 1 1 78 78 GLN HA H 1 4.101 0.005 . 1 . . . A 219 GLN HA . 25497 1 818 . 1 1 78 78 GLN HB2 H 1 1.719 0.005 . 2 . . . A 219 GLN HB2 . 25497 1 819 . 1 1 78 78 GLN HB3 H 1 1.323 0.006 . 2 . . . A 219 GLN HB3 . 25497 1 820 . 1 1 78 78 GLN HG2 H 1 1.913 0.005 . 2 . . . A 219 GLN HG2 . 25497 1 821 . 1 1 78 78 GLN HG3 H 1 1.790 0.007 . 2 . . . A 219 GLN HG3 . 25497 1 822 . 1 1 78 78 GLN HE21 H 1 6.733 0.007 . 1 . . . A 219 GLN HE21 . 25497 1 823 . 1 1 78 78 GLN HE22 H 1 6.863 0.007 . 1 . . . A 219 GLN HE22 . 25497 1 824 . 1 1 78 78 GLN C C 13 178.066 0.000 . 1 . . . A 219 GLN C . 25497 1 825 . 1 1 78 78 GLN CA C 13 57.782 0.035 . 1 . . . A 219 GLN CA . 25497 1 826 . 1 1 78 78 GLN CB C 13 29.583 0.046 . 1 . . . A 219 GLN CB . 25497 1 827 . 1 1 78 78 GLN CG C 13 33.817 0.057 . 1 . . . A 219 GLN CG . 25497 1 828 . 1 1 78 78 GLN N N 15 114.358 0.039 . 1 . . . A 219 GLN N . 25497 1 829 . 1 1 78 78 GLN NE2 N 15 110.584 0.025 . 1 . . . A 219 GLN NE2 . 25497 1 830 . 1 1 79 79 TYR H H 1 8.256 0.005 . 1 . . . A 220 TYR H . 25497 1 831 . 1 1 79 79 TYR HA H 1 5.085 0.004 . 1 . . . A 220 TYR HA . 25497 1 832 . 1 1 79 79 TYR HB2 H 1 3.430 0.005 . 2 . . . A 220 TYR HB2 . 25497 1 833 . 1 1 79 79 TYR HB3 H 1 3.257 0.004 . 2 . . . A 220 TYR HB3 . 25497 1 834 . 1 1 79 79 TYR HD1 H 1 6.967 0.006 . 3 . . . A 220 TYR HD1 . 25497 1 835 . 1 1 79 79 TYR HD2 H 1 6.967 0.006 . 3 . . . A 220 TYR HD2 . 25497 1 836 . 1 1 79 79 TYR HE1 H 1 6.355 0.003 . 3 . . . A 220 TYR HE1 . 25497 1 837 . 1 1 79 79 TYR HE2 H 1 6.355 0.003 . 3 . . . A 220 TYR HE2 . 25497 1 838 . 1 1 79 79 TYR C C 13 176.227 0.000 . 1 . . . A 220 TYR C . 25497 1 839 . 1 1 79 79 TYR CA C 13 57.580 0.077 . 1 . . . A 220 TYR CA . 25497 1 840 . 1 1 79 79 TYR CB C 13 39.516 0.038 . 1 . . . A 220 TYR CB . 25497 1 841 . 1 1 79 79 TYR CD1 C 13 130.811 0.000 . 3 . . . A 220 TYR CD1 . 25497 1 842 . 1 1 79 79 TYR CD2 C 13 130.811 0.000 . 3 . . . A 220 TYR CD2 . 25497 1 843 . 1 1 79 79 TYR CE1 C 13 118.033 0.000 . 3 . . . A 220 TYR CE1 . 25497 1 844 . 1 1 79 79 TYR CE2 C 13 118.033 0.000 . 3 . . . A 220 TYR CE2 . 25497 1 845 . 1 1 79 79 TYR N N 15 113.777 0.035 . 1 . . . A 220 TYR N . 25497 1 846 . 1 1 80 80 ASP H H 1 8.092 0.008 . 1 . . . A 221 ASP H . 25497 1 847 . 1 1 80 80 ASP HA H 1 4.682 0.005 . 1 . . . A 221 ASP HA . 25497 1 848 . 1 1 80 80 ASP HB2 H 1 3.278 0.005 . 2 . . . A 221 ASP HB2 . 25497 1 849 . 1 1 80 80 ASP HB3 H 1 2.898 0.005 . 2 . . . A 221 ASP HB3 . 25497 1 850 . 1 1 80 80 ASP C C 13 178.120 0.000 . 1 . . . A 221 ASP C . 25497 1 851 . 1 1 80 80 ASP CA C 13 58.312 0.098 . 1 . . . A 221 ASP CA . 25497 1 852 . 1 1 80 80 ASP CB C 13 41.692 0.067 . 1 . . . A 221 ASP CB . 25497 1 853 . 1 1 80 80 ASP N N 15 119.689 0.042 . 1 . . . A 221 ASP N . 25497 1 854 . 1 1 81 81 GLY H H 1 8.719 0.011 . 1 . . . A 222 GLY H . 25497 1 855 . 1 1 81 81 GLY HA2 H 1 4.264 0.007 . 2 . . . A 222 GLY HA2 . 25497 1 856 . 1 1 81 81 GLY HA3 H 1 3.737 0.008 . 2 . . . A 222 GLY HA3 . 25497 1 857 . 1 1 81 81 GLY C C 13 173.383 0.000 . 1 . . . A 222 GLY C . 25497 1 858 . 1 1 81 81 GLY CA C 13 46.114 0.064 . 1 . . . A 222 GLY CA . 25497 1 859 . 1 1 81 81 GLY N N 15 118.502 0.042 . 1 . . . A 222 GLY N . 25497 1 860 . 1 1 82 82 ALA H H 1 7.985 0.007 . 1 . . . A 223 ALA H . 25497 1 861 . 1 1 82 82 ALA HA H 1 4.477 0.004 . 1 . . . A 223 ALA HA . 25497 1 862 . 1 1 82 82 ALA HB1 H 1 1.761 0.005 . 1 . . . A 223 ALA HB1 . 25497 1 863 . 1 1 82 82 ALA HB2 H 1 1.761 0.005 . 1 . . . A 223 ALA HB2 . 25497 1 864 . 1 1 82 82 ALA HB3 H 1 1.761 0.005 . 1 . . . A 223 ALA HB3 . 25497 1 865 . 1 1 82 82 ALA C C 13 175.418 0.000 . 1 . . . A 223 ALA C . 25497 1 866 . 1 1 82 82 ALA CA C 13 51.387 0.069 . 1 . . . A 223 ALA CA . 25497 1 867 . 1 1 82 82 ALA CB C 13 20.259 0.029 . 1 . . . A 223 ALA CB . 25497 1 868 . 1 1 82 82 ALA N N 15 123.071 0.028 . 1 . . . A 223 ALA N . 25497 1 869 . 1 1 83 83 PHE H H 1 8.447 0.006 . 1 . . . A 224 PHE H . 25497 1 870 . 1 1 83 83 PHE HA H 1 4.992 0.004 . 1 . . . A 224 PHE HA . 25497 1 871 . 1 1 83 83 PHE HB2 H 1 2.950 0.006 . 2 . . . A 224 PHE HB2 . 25497 1 872 . 1 1 83 83 PHE HB3 H 1 2.869 0.007 . 2 . . . A 224 PHE HB3 . 25497 1 873 . 1 1 83 83 PHE HD1 H 1 7.064 0.006 . 3 . . . A 224 PHE HD1 . 25497 1 874 . 1 1 83 83 PHE HD2 H 1 7.064 0.006 . 3 . . . A 224 PHE HD2 . 25497 1 875 . 1 1 83 83 PHE HE1 H 1 7.305 0.005 . 3 . . . A 224 PHE HE1 . 25497 1 876 . 1 1 83 83 PHE HE2 H 1 7.305 0.005 . 3 . . . A 224 PHE HE2 . 25497 1 877 . 1 1 83 83 PHE C C 13 175.993 0.000 . 1 . . . A 224 PHE C . 25497 1 878 . 1 1 83 83 PHE CA C 13 58.217 0.041 . 1 . . . A 224 PHE CA . 25497 1 879 . 1 1 83 83 PHE CB C 13 40.100 0.009 . 1 . . . A 224 PHE CB . 25497 1 880 . 1 1 83 83 PHE CD1 C 13 131.481 0.000 . 3 . . . A 224 PHE CD1 . 25497 1 881 . 1 1 83 83 PHE CD2 C 13 131.481 0.000 . 3 . . . A 224 PHE CD2 . 25497 1 882 . 1 1 83 83 PHE CE1 C 13 131.395 0.000 . 3 . . . A 224 PHE CE1 . 25497 1 883 . 1 1 83 83 PHE CE2 C 13 131.395 0.000 . 3 . . . A 224 PHE CE2 . 25497 1 884 . 1 1 83 83 PHE N N 15 116.971 0.033 . 1 . . . A 224 PHE N . 25497 1 885 . 1 1 84 84 PHE H H 1 9.105 0.008 . 1 . . . A 225 PHE H . 25497 1 886 . 1 1 84 84 PHE HA H 1 4.493 0.008 . 1 . . . A 225 PHE HA . 25497 1 887 . 1 1 84 84 PHE HB2 H 1 2.526 0.005 . 2 . . . A 225 PHE HB2 . 25497 1 888 . 1 1 84 84 PHE HB3 H 1 2.286 0.007 . 2 . . . A 225 PHE HB3 . 25497 1 889 . 1 1 84 84 PHE HD1 H 1 6.465 0.004 . 3 . . . A 225 PHE HD1 . 25497 1 890 . 1 1 84 84 PHE HD2 H 1 6.465 0.004 . 3 . . . A 225 PHE HD2 . 25497 1 891 . 1 1 84 84 PHE HE1 H 1 6.915 0.005 . 3 . . . A 225 PHE HE1 . 25497 1 892 . 1 1 84 84 PHE HE2 H 1 6.915 0.005 . 3 . . . A 225 PHE HE2 . 25497 1 893 . 1 1 84 84 PHE HZ H 1 6.738 0.003 . 1 . . . A 225 PHE HZ . 25497 1 894 . 1 1 84 84 PHE C C 13 174.544 0.000 . 1 . . . A 225 PHE C . 25497 1 895 . 1 1 84 84 PHE CA C 13 56.139 0.030 . 1 . . . A 225 PHE CA . 25497 1 896 . 1 1 84 84 PHE CB C 13 40.938 0.009 . 1 . . . A 225 PHE CB . 25497 1 897 . 1 1 84 84 PHE CD1 C 13 130.588 0.000 . 3 . . . A 225 PHE CD1 . 25497 1 898 . 1 1 84 84 PHE CD2 C 13 130.588 0.000 . 3 . . . A 225 PHE CD2 . 25497 1 899 . 1 1 84 84 PHE CE1 C 13 131.698 0.000 . 3 . . . A 225 PHE CE1 . 25497 1 900 . 1 1 84 84 PHE CE2 C 13 131.698 0.000 . 3 . . . A 225 PHE CE2 . 25497 1 901 . 1 1 84 84 PHE CZ C 13 128.200 0.000 . 1 . . . A 225 PHE CZ . 25497 1 902 . 1 1 84 84 PHE N N 15 125.180 0.060 . 1 . . . A 225 PHE N . 25497 1 903 . 1 1 85 85 MET H H 1 9.028 0.007 . 1 . . . A 226 MET H . 25497 1 904 . 1 1 85 85 MET HA H 1 3.454 0.007 . 1 . . . A 226 MET HA . 25497 1 905 . 1 1 85 85 MET HB2 H 1 1.791 0.006 . 2 . . . A 226 MET HB2 . 25497 1 906 . 1 1 85 85 MET HB3 H 1 1.467 0.006 . 2 . . . A 226 MET HB3 . 25497 1 907 . 1 1 85 85 MET HG2 H 1 1.594 0.005 . 2 . . . A 226 MET HG2 . 25497 1 908 . 1 1 85 85 MET HG3 H 1 0.801 0.007 . 2 . . . A 226 MET HG3 . 25497 1 909 . 1 1 85 85 MET HE1 H 1 1.754 0.000 . 1 . . . A 226 MET HE1 . 25497 1 910 . 1 1 85 85 MET HE2 H 1 1.754 0.000 . 1 . . . A 226 MET HE2 . 25497 1 911 . 1 1 85 85 MET HE3 H 1 1.754 0.000 . 1 . . . A 226 MET HE3 . 25497 1 912 . 1 1 85 85 MET C C 13 174.537 0.000 . 1 . . . A 226 MET C . 25497 1 913 . 1 1 85 85 MET CA C 13 57.597 0.035 . 1 . . . A 226 MET CA . 25497 1 914 . 1 1 85 85 MET CB C 13 29.459 0.014 . 1 . . . A 226 MET CB . 25497 1 915 . 1 1 85 85 MET CG C 13 31.673 0.006 . 1 . . . A 226 MET CG . 25497 1 916 . 1 1 85 85 MET CE C 13 16.765 0.000 . 1 . . . A 226 MET CE . 25497 1 917 . 1 1 85 85 MET N N 15 126.209 0.059 . 1 . . . A 226 MET N . 25497 1 918 . 1 1 86 86 ASP H H 1 8.292 0.006 . 1 . . . A 227 ASP H . 25497 1 919 . 1 1 86 86 ASP HA H 1 4.153 0.011 . 1 . . . A 227 ASP HA . 25497 1 920 . 1 1 86 86 ASP HB2 H 1 2.859 0.008 . 2 . . . A 227 ASP HB2 . 25497 1 921 . 1 1 86 86 ASP HB3 H 1 2.742 0.005 . 2 . . . A 227 ASP HB3 . 25497 1 922 . 1 1 86 86 ASP C C 13 174.977 0.000 . 1 . . . A 227 ASP C . 25497 1 923 . 1 1 86 86 ASP CA C 13 55.721 0.025 . 1 . . . A 227 ASP CA . 25497 1 924 . 1 1 86 86 ASP CB C 13 39.977 0.012 . 1 . . . A 227 ASP CB . 25497 1 925 . 1 1 86 86 ASP N N 15 109.577 0.097 . 1 . . . A 227 ASP N . 25497 1 926 . 1 1 87 87 ARG H H 1 7.610 0.006 . 1 . . . A 228 ARG H . 25497 1 927 . 1 1 87 87 ARG HA H 1 4.593 0.007 . 1 . . . A 228 ARG HA . 25497 1 928 . 1 1 87 87 ARG HB2 H 1 1.842 0.007 . 2 . . . A 228 ARG HB2 . 25497 1 929 . 1 1 87 87 ARG HB3 H 1 1.681 0.007 . 2 . . . A 228 ARG HB3 . 25497 1 930 . 1 1 87 87 ARG HG2 H 1 1.547 0.013 . 2 . . . A 228 ARG HG2 . 25497 1 931 . 1 1 87 87 ARG HG3 H 1 1.489 0.005 . 2 . . . A 228 ARG HG3 . 25497 1 932 . 1 1 87 87 ARG HD2 H 1 2.993 0.004 . 2 . . . A 228 ARG HD2 . 25497 1 933 . 1 1 87 87 ARG HD3 H 1 2.916 0.012 . 2 . . . A 228 ARG HD3 . 25497 1 934 . 1 1 87 87 ARG C C 13 173.905 0.000 . 1 . . . A 228 ARG C . 25497 1 935 . 1 1 87 87 ARG CA C 13 54.376 0.030 . 1 . . . A 228 ARG CA . 25497 1 936 . 1 1 87 87 ARG CB C 13 33.387 0.013 . 1 . . . A 228 ARG CB . 25497 1 937 . 1 1 87 87 ARG CG C 13 26.445 0.003 . 1 . . . A 228 ARG CG . 25497 1 938 . 1 1 87 87 ARG CD C 13 42.905 0.006 . 1 . . . A 228 ARG CD . 25497 1 939 . 1 1 87 87 ARG N N 15 118.066 0.025 . 1 . . . A 228 ARG N . 25497 1 940 . 1 1 88 88 LYS H H 1 8.348 0.006 . 1 . . . A 229 LYS H . 25497 1 941 . 1 1 88 88 LYS HA H 1 4.249 0.008 . 1 . . . A 229 LYS HA . 25497 1 942 . 1 1 88 88 LYS HB2 H 1 1.492 0.010 . 2 . . . A 229 LYS HB2 . 25497 1 943 . 1 1 88 88 LYS HB3 H 1 1.285 0.009 . 2 . . . A 229 LYS HB3 . 25497 1 944 . 1 1 88 88 LYS HG2 H 1 1.572 0.003 . 2 . . . A 229 LYS HG2 . 25497 1 945 . 1 1 88 88 LYS HD2 H 1 0.927 0.013 . 2 . . . A 229 LYS HD2 . 25497 1 946 . 1 1 88 88 LYS HD3 H 1 0.864 0.010 . 2 . . . A 229 LYS HD3 . 25497 1 947 . 1 1 88 88 LYS HE2 H 1 2.946 0.009 . 2 . . . A 229 LYS HE2 . 25497 1 948 . 1 1 88 88 LYS C C 13 177.043 0.000 . 1 . . . A 229 LYS C . 25497 1 949 . 1 1 88 88 LYS CA C 13 55.677 0.013 . 1 . . . A 229 LYS CA . 25497 1 950 . 1 1 88 88 LYS CB C 13 32.146 0.032 . 1 . . . A 229 LYS CB . 25497 1 951 . 1 1 88 88 LYS CG C 13 29.233 0.000 . 1 . . . A 229 LYS CG . 25497 1 952 . 1 1 88 88 LYS CD C 13 24.507 0.000 . 1 . . . A 229 LYS CD . 25497 1 953 . 1 1 88 88 LYS CE C 13 41.727 0.000 . 1 . . . A 229 LYS CE . 25497 1 954 . 1 1 88 88 LYS N N 15 122.075 0.106 . 1 . . . A 229 LYS N . 25497 1 955 . 1 1 89 89 ILE H H 1 8.741 0.004 . 1 . . . A 230 ILE H . 25497 1 956 . 1 1 89 89 ILE HA H 1 4.786 0.000 . 1 . . . A 230 ILE HA . 25497 1 957 . 1 1 89 89 ILE HB H 1 2.002 0.008 . 1 . . . A 230 ILE HB . 25497 1 958 . 1 1 89 89 ILE HG12 H 1 1.662 0.006 . 2 . . . A 230 ILE HG12 . 25497 1 959 . 1 1 89 89 ILE HG13 H 1 1.403 0.004 . 2 . . . A 230 ILE HG13 . 25497 1 960 . 1 1 89 89 ILE HG21 H 1 0.977 0.004 . 1 . . . A 230 ILE HG21 . 25497 1 961 . 1 1 89 89 ILE HG22 H 1 0.977 0.004 . 1 . . . A 230 ILE HG22 . 25497 1 962 . 1 1 89 89 ILE HG23 H 1 0.977 0.004 . 1 . . . A 230 ILE HG23 . 25497 1 963 . 1 1 89 89 ILE HD11 H 1 0.692 0.003 . 1 . . . A 230 ILE HD11 . 25497 1 964 . 1 1 89 89 ILE HD12 H 1 0.692 0.003 . 1 . . . A 230 ILE HD12 . 25497 1 965 . 1 1 89 89 ILE HD13 H 1 0.692 0.003 . 1 . . . A 230 ILE HD13 . 25497 1 966 . 1 1 89 89 ILE CA C 13 61.410 0.074 . 1 . . . A 230 ILE CA . 25497 1 967 . 1 1 89 89 ILE CB C 13 40.539 0.000 . 1 . . . A 230 ILE CB . 25497 1 968 . 1 1 89 89 ILE CG1 C 13 24.825 0.021 . 1 . . . A 230 ILE CG1 . 25497 1 969 . 1 1 89 89 ILE CG2 C 13 19.504 0.000 . 1 . . . A 230 ILE CG2 . 25497 1 970 . 1 1 89 89 ILE CD1 C 13 14.513 0.000 . 1 . . . A 230 ILE CD1 . 25497 1 971 . 1 1 89 89 ILE N N 15 123.183 0.055 . 1 . . . A 230 ILE N . 25497 1 972 . 1 1 90 90 PHE H H 1 7.569 0.018 . 1 . . . A 231 PHE H . 25497 1 973 . 1 1 90 90 PHE HA H 1 5.678 0.004 . 1 . . . A 231 PHE HA . 25497 1 974 . 1 1 90 90 PHE HB2 H 1 3.246 0.007 . 2 . . . A 231 PHE HB2 . 25497 1 975 . 1 1 90 90 PHE HB3 H 1 2.964 0.010 . 2 . . . A 231 PHE HB3 . 25497 1 976 . 1 1 90 90 PHE HD1 H 1 7.230 0.003 . 3 . . . A 231 PHE HD1 . 25497 1 977 . 1 1 90 90 PHE HD2 H 1 7.230 0.003 . 3 . . . A 231 PHE HD2 . 25497 1 978 . 1 1 90 90 PHE HE1 H 1 7.330 0.006 . 3 . . . A 231 PHE HE1 . 25497 1 979 . 1 1 90 90 PHE HE2 H 1 7.330 0.006 . 3 . . . A 231 PHE HE2 . 25497 1 980 . 1 1 90 90 PHE CA C 13 54.470 0.000 . 1 . . . A 231 PHE CA . 25497 1 981 . 1 1 90 90 PHE CB C 13 42.065 0.002 . 1 . . . A 231 PHE CB . 25497 1 982 . 1 1 90 90 PHE N N 15 118.603 0.216 . 1 . . . A 231 PHE N . 25497 1 983 . 1 1 91 91 VAL H H 1 9.221 0.002 . 1 . . . A 232 VAL H . 25497 1 984 . 1 1 91 91 VAL HA H 1 5.054 0.007 . 1 . . . A 232 VAL HA . 25497 1 985 . 1 1 91 91 VAL HB H 1 1.920 0.003 . 1 . . . A 232 VAL HB . 25497 1 986 . 1 1 91 91 VAL HG11 H 1 1.087 0.004 . 2 . . . A 232 VAL HG11 . 25497 1 987 . 1 1 91 91 VAL HG12 H 1 1.087 0.004 . 2 . . . A 232 VAL HG12 . 25497 1 988 . 1 1 91 91 VAL HG13 H 1 1.087 0.004 . 2 . . . A 232 VAL HG13 . 25497 1 989 . 1 1 91 91 VAL HG21 H 1 0.945 0.005 . 2 . . . A 232 VAL HG21 . 25497 1 990 . 1 1 91 91 VAL HG22 H 1 0.945 0.005 . 2 . . . A 232 VAL HG22 . 25497 1 991 . 1 1 91 91 VAL HG23 H 1 0.945 0.005 . 2 . . . A 232 VAL HG23 . 25497 1 992 . 1 1 91 91 VAL C C 13 174.146 0.000 . 1 . . . A 232 VAL C . 25497 1 993 . 1 1 91 91 VAL CA C 13 61.131 0.084 . 1 . . . A 232 VAL CA . 25497 1 994 . 1 1 91 91 VAL CB C 13 35.551 0.000 . 1 . . . A 232 VAL CB . 25497 1 995 . 1 1 91 91 VAL CG1 C 13 22.643 0.000 . 2 . . . A 232 VAL CG1 . 25497 1 996 . 1 1 91 91 VAL CG2 C 13 20.880 0.000 . 2 . . . A 232 VAL CG2 . 25497 1 997 . 1 1 91 91 VAL N N 15 123.454 0.000 . 1 . . . A 232 VAL N . 25497 1 998 . 1 1 92 92 ARG H H 1 9.087 0.005 . 1 . . . A 233 ARG H . 25497 1 999 . 1 1 92 92 ARG HA H 1 4.889 0.002 . 1 . . . A 233 ARG HA . 25497 1 1000 . 1 1 92 92 ARG HB2 H 1 2.021 0.011 . 2 . . . A 233 ARG HB2 . 25497 1 1001 . 1 1 92 92 ARG HB3 H 1 1.916 0.002 . 2 . . . A 233 ARG HB3 . 25497 1 1002 . 1 1 92 92 ARG HG2 H 1 1.018 0.003 . 2 . . . A 233 ARG HG2 . 25497 1 1003 . 1 1 92 92 ARG HD2 H 1 3.269 0.003 . 2 . . . A 233 ARG HD2 . 25497 1 1004 . 1 1 92 92 ARG C C 13 174.750 0.000 . 1 . . . A 233 ARG C . 25497 1 1005 . 1 1 92 92 ARG CA C 13 53.555 0.133 . 1 . . . A 233 ARG CA . 25497 1 1006 . 1 1 92 92 ARG CB C 13 34.467 0.020 . 1 . . . A 233 ARG CB . 25497 1 1007 . 1 1 92 92 ARG CD C 13 43.083 0.000 . 1 . . . A 233 ARG CD . 25497 1 1008 . 1 1 92 92 ARG N N 15 122.519 0.111 . 1 . . . A 233 ARG N . 25497 1 1009 . 1 1 93 93 GLN H H 1 8.928 0.009 . 1 . . . A 234 GLN H . 25497 1 1010 . 1 1 93 93 GLN HA H 1 4.275 0.004 . 1 . . . A 234 GLN HA . 25497 1 1011 . 1 1 93 93 GLN HB2 H 1 2.165 0.003 . 2 . . . A 234 GLN HB2 . 25497 1 1012 . 1 1 93 93 GLN HB3 H 1 2.111 0.005 . 2 . . . A 234 GLN HB3 . 25497 1 1013 . 1 1 93 93 GLN HG2 H 1 2.499 0.008 . 2 . . . A 234 GLN HG2 . 25497 1 1014 . 1 1 93 93 GLN HE21 H 1 6.863 0.014 . 1 . . . A 234 GLN HE21 . 25497 1 1015 . 1 1 93 93 GLN HE22 H 1 7.796 0.008 . 1 . . . A 234 GLN HE22 . 25497 1 1016 . 1 1 93 93 GLN C C 13 175.617 0.000 . 1 . . . A 234 GLN C . 25497 1 1017 . 1 1 93 93 GLN CA C 13 57.371 0.067 . 1 . . . A 234 GLN CA . 25497 1 1018 . 1 1 93 93 GLN CB C 13 29.362 0.027 . 1 . . . A 234 GLN CB . 25497 1 1019 . 1 1 93 93 GLN CG C 13 33.997 0.000 . 1 . . . A 234 GLN CG . 25497 1 1020 . 1 1 93 93 GLN N N 15 120.888 0.071 . 1 . . . A 234 GLN N . 25497 1 1021 . 1 1 93 93 GLN NE2 N 15 113.265 0.071 . 1 . . . A 234 GLN NE2 . 25497 1 1022 . 1 1 94 94 ASP H H 1 8.277 0.005 . 1 . . . A 235 ASP H . 25497 1 1023 . 1 1 94 94 ASP HA H 1 4.835 0.000 . 1 . . . A 235 ASP HA . 25497 1 1024 . 1 1 94 94 ASP HB2 H 1 2.834 0.007 . 2 . . . A 235 ASP HB2 . 25497 1 1025 . 1 1 94 94 ASP HB3 H 1 2.156 0.006 . 2 . . . A 235 ASP HB3 . 25497 1 1026 . 1 1 94 94 ASP CA C 13 53.813 0.046 . 1 . . . A 235 ASP CA . 25497 1 1027 . 1 1 94 94 ASP CB C 13 41.617 0.016 . 1 . . . A 235 ASP CB . 25497 1 1028 . 1 1 94 94 ASP N N 15 124.925 0.052 . 1 . . . A 235 ASP N . 25497 1 1029 . 1 1 95 95 ASN HA H 1 4.835 0.000 . 1 . . . A 236 ASN HA . 25497 1 1030 . 1 1 95 95 ASN HB2 H 1 3.136 0.001 . 2 . . . A 236 ASN HB2 . 25497 1 1031 . 1 1 95 95 ASN HB3 H 1 2.557 0.003 . 2 . . . A 236 ASN HB3 . 25497 1 1032 . 1 1 95 95 ASN HD21 H 1 6.606 0.005 . 1 . . . A 236 ASN HD21 . 25497 1 1033 . 1 1 95 95 ASN HD22 H 1 7.387 0.002 . 1 . . . A 236 ASN HD22 . 25497 1 1034 . 1 1 95 95 ASN CA C 13 52.426 0.000 . 1 . . . A 236 ASN CA . 25497 1 1035 . 1 1 95 95 ASN CB C 13 38.350 0.006 . 1 . . . A 236 ASN CB . 25497 1 1036 . 1 1 95 95 ASN ND2 N 15 111.793 0.002 . 1 . . . A 236 ASN ND2 . 25497 1 stop_ save_