data_10012 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 10012 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Actin-binding domain of troponin TnI-TnC-TnT2 ternary complex' 'Structure analysis' . 10012 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 actin 10012 1 1 tropomyosin 10012 1 1 troponin 10012 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID 1 10012 'Assigned chemical shift entry' . 10012 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10012 _Entry.Title ; Structure of actin-interacting domain of troponin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-11-18 _Entry.Accession_date 2005-11-18 _Entry.Last_release_date 2009-06-01 _Entry.Original_release_date 2009-06-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 Kenji Murakami . . . 10012 2 Fumiaki Yumoto . . . 10012 3 Shin-ya Ohki . . . 10012 4 Takuo Yasunaga . . . 10012 5 Masaru Tanokura . . . 10012 6 Takeyuki Wakabayashi . . . 10012 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10012 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 195 10012 '15N chemical shifts' 49 10012 '1H chemical shifts' 340 10012 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-06-01 2005-11-18 original author . 10012 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 9500 'Assigned chemical shift of actin-binding domain of troponin in Ca2+-bound state' 10012 PDB 1VDI 'BMRB Entry Tracking System' 10012 PDB 1VDJ 'Solution structure of actin-binding domain of troponin in Ca2+-bound state' 10012 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10012 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16061251 _Citation.Full_citation . _Citation.Title ; Structural Basis for Ca(2+)-regulated Muscle Relaxation at Interaction Sites of Troponin with Actin and Tropomyosin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 352 _Citation.Journal_issue 1 _Citation.Journal_ASTM JMOBAK _Citation.Journal_ISSN 0022-2836 _Citation.Journal_CSD 0353 _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 178 _Citation.Page_last 201 _Citation.Year 2005 _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 Kenji Murakami . . . 10012 1 2 Fumiaki Yumoto . . . 10012 1 3 Shin-ya Ohki . . . 10012 1 4 Takuo Yasunaga . . . 10012 1 5 Masaru Tanokura . . . 10012 1 6 Takeyuki Wakabayashi . . . 10012 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10012 _Assembly.ID 1 _Assembly.Name 'troponin complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-protein complex' 10012 1 stop_ 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 'Troponin I' 1 $TnI . . yes native no no . . . 10012 1 2 'Troponin C' . . . . no native no no . . . 10012 1 3 'Troponin T2' . . . . no native no no . . . 10012 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TnI _Entity.Sf_category entity _Entity.Sf_framecode TnI _Entity.Entry_ID 10012 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TnI _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KVNMDLRANLKQVKKEDTEK EKDLRDVGDWRKNIEEKSGM EGRKKMFEAGES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1VDI . "Solution Structure Of Actin-Binding Domain Of Troponin In Ca2+-Free State" . . . . . 100.00 52 100.00 100.00 3.47e-26 . . . . 10012 1 2 no PDB 1VDJ . "Solution Structure Of Actin-Binding Domain Of Troponin In Ca2+-Bound State" . . . . . 100.00 52 100.00 100.00 3.47e-26 . . . . 10012 1 3 no PDB 1YTZ . "Crystal Structure Of Skeletal Muscle Troponin In The Ca2+- Activated State" . . . . . 100.00 182 100.00 100.00 2.35e-26 . . . . 10012 1 4 no EMBL CAA27447 . "sTnI protein (aa 85-182), partial [Gallus gallus]" . . . . . 100.00 98 100.00 100.00 3.04e-26 . . . . 10012 1 5 no GB AAA61952 . "troponin I [Gallus gallus]" . . . . . 100.00 183 100.00 100.00 2.85e-26 . . . . 10012 1 6 no GB AAB00122 . "troponin I [Coturnix coturnix]" . . . . . 100.00 183 100.00 100.00 2.85e-26 . . . . 10012 1 7 no GB ACU12238 . "troponin I, partial [Alectoris rufa]" . . . . . 88.46 67 100.00 100.00 1.09e-21 . . . . 10012 1 8 no GB ACU12239 . "troponin I, partial [Alectoris chukar]" . . . . . 88.46 67 100.00 100.00 1.09e-21 . . . . 10012 1 9 no GB EMC88037 . "Troponin I, fast skeletal muscle, partial [Columba livia]" . . . . . 100.00 178 100.00 100.00 2.50e-26 . . . . 10012 1 10 no REF NP_990748 . "troponin I, fast skeletal muscle [Gallus gallus]" . . . . . 100.00 183 100.00 100.00 2.85e-26 . . . . 10012 1 11 no REF XP_002199061 . "PREDICTED: troponin I, fast skeletal muscle [Taeniopygia guttata]" . . . . . 100.00 183 98.08 98.08 2.82e-25 . . . . 10012 1 12 no REF XP_003206335 . "PREDICTED: troponin I, fast skeletal muscle [Meleagris gallopavo]" . . . . . 100.00 183 100.00 100.00 2.82e-26 . . . . 10012 1 13 no REF XP_003206336 . "PREDICTED: troponin I, fast skeletal muscle [Meleagris gallopavo]" . . . . . 100.00 183 100.00 100.00 2.82e-26 . . . . 10012 1 14 no REF XP_005019798 . "PREDICTED: troponin I, fast skeletal muscle [Anas platyrhynchos]" . . . . . 100.00 183 98.08 98.08 2.64e-25 . . . . 10012 1 15 no SP P68246 . "RecName: Full=Troponin I, fast skeletal muscle; AltName: Full=Troponin I, fast-twitch isoform" . . . . . 100.00 183 100.00 100.00 2.85e-26 . . . . 10012 1 16 no SP P68247 . "RecName: Full=Troponin I, fast skeletal muscle; AltName: Full=Troponin I, fast-twitch isoform" . . . . . 100.00 183 100.00 100.00 2.85e-26 . . . . 10012 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 131 LYS . 10012 1 2 132 VAL . 10012 1 3 133 ASN . 10012 1 4 134 MET . 10012 1 5 135 ASP . 10012 1 6 136 LEU . 10012 1 7 137 ARG . 10012 1 8 138 ALA . 10012 1 9 139 ASN . 10012 1 10 140 LEU . 10012 1 11 141 LYS . 10012 1 12 142 GLN . 10012 1 13 143 VAL . 10012 1 14 144 LYS . 10012 1 15 145 LYS . 10012 1 16 146 GLU . 10012 1 17 147 ASP . 10012 1 18 148 THR . 10012 1 19 149 GLU . 10012 1 20 150 LYS . 10012 1 21 151 GLU . 10012 1 22 152 LYS . 10012 1 23 153 ASP . 10012 1 24 154 LEU . 10012 1 25 155 ARG . 10012 1 26 156 ASP . 10012 1 27 157 VAL . 10012 1 28 158 GLY . 10012 1 29 159 ASP . 10012 1 30 160 TRP . 10012 1 31 161 ARG . 10012 1 32 162 LYS . 10012 1 33 163 ASN . 10012 1 34 164 ILE . 10012 1 35 165 GLU . 10012 1 36 166 GLU . 10012 1 37 167 LYS . 10012 1 38 168 SER . 10012 1 39 169 GLY . 10012 1 40 170 MET . 10012 1 41 171 GLU . 10012 1 42 172 GLY . 10012 1 43 173 ARG . 10012 1 44 174 LYS . 10012 1 45 175 LYS . 10012 1 46 176 MET . 10012 1 47 177 PHE . 10012 1 48 178 GLU . 10012 1 49 179 ALA . 10012 1 50 180 GLY . 10012 1 51 181 GLU . 10012 1 52 182 SER . 10012 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 . LYS 1 1 10012 1 . VAL 2 2 10012 1 . ASN 3 3 10012 1 . MET 4 4 10012 1 . ASP 5 5 10012 1 . LEU 6 6 10012 1 . ARG 7 7 10012 1 . ALA 8 8 10012 1 . ASN 9 9 10012 1 . LEU 10 10 10012 1 . LYS 11 11 10012 1 . GLN 12 12 10012 1 . VAL 13 13 10012 1 . LYS 14 14 10012 1 . LYS 15 15 10012 1 . GLU 16 16 10012 1 . ASP 17 17 10012 1 . THR 18 18 10012 1 . GLU 19 19 10012 1 . LYS 20 20 10012 1 . GLU 21 21 10012 1 . LYS 22 22 10012 1 . ASP 23 23 10012 1 . LEU 24 24 10012 1 . ARG 25 25 10012 1 . ASP 26 26 10012 1 . VAL 27 27 10012 1 . GLY 28 28 10012 1 . ASP 29 29 10012 1 . TRP 30 30 10012 1 . ARG 31 31 10012 1 . LYS 32 32 10012 1 . ASN 33 33 10012 1 . ILE 34 34 10012 1 . GLU 35 35 10012 1 . GLU 36 36 10012 1 . LYS 37 37 10012 1 . SER 38 38 10012 1 . GLY 39 39 10012 1 . MET 40 40 10012 1 . GLU 41 41 10012 1 . GLY 42 42 10012 1 . ARG 43 43 10012 1 . LYS 44 44 10012 1 . LYS 45 45 10012 1 . MET 46 46 10012 1 . PHE 47 47 10012 1 . GLU 48 48 10012 1 . ALA 49 49 10012 1 . GLY 50 50 10012 1 . GLU 51 51 10012 1 . SER 52 52 10012 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 10012 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TnI . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 10012 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 10012 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TnI . 'recombinant technology' 'Escherichia coli' . 'E. coli' 562 Escherichia coli . . . . . . . . . . . . . . . . pET3a . . . . . . 10012 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10012 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The troponin ternary complex at low Ca2+' _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 'Troponin I' '[U-13C; U-15N]' 1 $assembly . . . . . 0.8 1.2 mM . . . . 10012 1 2 'Troponin C' 'natural abundance' 1 $assembly . . . . . 0.8 1.2 mM . . . . 10012 1 3 'Troponin T2' 'natural abundance' 1 $assembly . . . . . 0.8 1.2 mM . . . . 10012 1 4 KCl . . . . . . . 240 . . mM . . . . 10012 1 5 NaHCO3 . . . . . . . 0.3 . . mM . . . . 10012 1 6 MgCl2 . . . . . . . 3 . . mM . . . . 10012 1 7 EGTA . . . . . . . 0.2 . . mM . . . . 10012 1 8 H2O . . . . . . . 90 . . % . . . . 10012 1 9 D2O . . . . . . . 10 . . % . . . . 10012 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 10012 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The troponin ternary complex at low Ca2+' _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 'Troponin I' '[U-13C; U-15N]' 1 $assembly . . . . . 0.8 1.2 mM . . . . 10012 2 2 'Troponin C' 'natural abundance' 1 $assembly . . . . . 0.8 1.2 mM . . . . 10012 2 3 'Troponin T2' 'natural abundance' 1 $assembly . . . . . 0.8 1.2 mM . . . . 10012 2 4 KCl . . . . . . . 240 . . mM . . . . 10012 2 5 NaHCO3 . . . . . . . 0.3 . . mM . . . . 10012 2 6 MgCl2 . . . . . . . 3 . . mM . . . . 10012 2 7 EGTA . . . . . . . 0.2 . . mM . . . . 10012 2 8 D2O . . . . . . . 100 . . % . . . . 10012 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10012 _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 pH 7 . pH 10012 1 temperature 298 . K 10012 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 10012 _Software.ID 1 _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' . . 10012 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10012 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 10012 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 10012 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 10012 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 10012 _Software.ID 3 _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' . . 10012 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 10012 3 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 10012 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 10012 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 10012 _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 Varian INOVA . 750 . . . 10012 1 2 spectrometer_2 Varian INOVA . 500 . . . 10012 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 10012 _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 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10012 1 2 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10012 1 3 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10012 1 4 HN(CO)CA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10012 1 5 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10012 1 6 H(CCO)NH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10012 1 7 C(CO)NH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10012 1 8 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10012 1 9 '2D 13C-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10012 1 10 '2D aromatic 13C-edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10012 1 11 '3D 13C-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10012 1 12 '3D 15N-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10012 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 10012 _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 . indirect 0.251449530 . . . . . . . . . 10012 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . indirect 1.000000000 . . . . . . . . . 10012 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 10012 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_chemical_shifts_woCa _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_woCa _Assigned_chem_shift_list.Entry_ID 10012 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 HNCACB 1 $sample_1 isotropic 10012 1 2 CBCA(CO)NH 1 $sample_1 isotropic 10012 1 3 HNCA 1 $sample_1 isotropic 10012 1 4 HN(CO)CA 1 $sample_1 isotropic 10012 1 5 HNCO 1 $sample_1 isotropic 10012 1 6 H(CCO)NH 1 $sample_1 isotropic 10012 1 7 C(CO)NH 1 $sample_1 isotropic 10012 1 8 HCCH-TOCSY 1 $sample_1 isotropic 10012 1 9 '2D 13C-NOESY' 1 $sample_1 isotropic 10012 1 10 '2D aromatic 13C-edited NOESY' 2 $sample_2 isotropic 10012 1 11 '3D 13C-edited NOESY' 1 $sample_1 isotropic 10012 1 12 '3D 15N-edited NOESY' 1 $sample_1 isotropic 10012 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 2 2 VAL HA H 1 4.099 . . 1 . . . . 132 VAL HA . 10012 1 2 . 1 1 2 2 VAL HB H 1 2.185 . . 1 . . . . 132 VAL HB . 10012 1 3 . 1 1 3 3 ASN H H 1 8.514 . . 1 . . . . 133 ASN H . 10012 1 4 . 1 1 3 3 ASN HA H 1 4.691 . . 1 . . . . 133 ASN HA . 10012 1 5 . 1 1 3 3 ASN HB2 H 1 2.644 . . 1 . . . . 133 ASN HB2 . 10012 1 6 . 1 1 3 3 ASN HB3 H 1 2.644 . . 1 . . . . 133 ASN HB3 . 10012 1 7 . 1 1 3 3 ASN C C 13 176.4 . . 1 . . . . 133 ASN CO . 10012 1 8 . 1 1 3 3 ASN CA C 13 61.7 . . 1 . . . . 133 ASN CA . 10012 1 9 . 1 1 3 3 ASN CB C 13 33.5 . . 1 . . . . 133 ASN CB . 10012 1 10 . 1 1 3 3 ASN N N 15 122.8 . . 1 . . . . 133 ASN N . 10012 1 11 . 1 1 4 4 MET H H 1 8.518 . . 1 . . . . 134 MET H . 10012 1 12 . 1 1 4 4 MET HA H 1 4.461 . . 1 . . . . 134 MET HA . 10012 1 13 . 1 1 4 4 MET HB2 H 1 2.03 . . 1 . . . . 134 MET HB2 . 10012 1 14 . 1 1 4 4 MET HB3 H 1 2.03 . . 1 . . . . 134 MET HB3 . 10012 1 15 . 1 1 4 4 MET HG2 H 1 2.458 . . 1 . . . . 134 MET HG2 . 10012 1 16 . 1 1 4 4 MET HG3 H 1 2.458 . . 1 . . . . 134 MET HG3 . 10012 1 17 . 1 1 4 4 MET N N 15 120.6 . . 1 . . . . 134 MET N . 10012 1 18 . 1 1 5 5 ASP HA H 1 4.622 . . 1 . . . . 135 ASP HA . 10012 1 19 . 1 1 5 5 ASP HB2 H 1 2.565 . . 1 . . . . 135 ASP HB2 . 10012 1 20 . 1 1 5 5 ASP HB3 H 1 2.565 . . 1 . . . . 135 ASP HB3 . 10012 1 21 . 1 1 5 5 ASP C C 13 176.4 . . 1 . . . . 135 ASP CO . 10012 1 22 . 1 1 5 5 ASP CA C 13 55.8 . . 1 . . . . 135 ASP CA . 10012 1 23 . 1 1 5 5 ASP CB C 13 41.1 . . 1 . . . . 135 ASP CB . 10012 1 24 . 1 1 6 6 LEU H H 1 8.404 . . 1 . . . . 136 LEU H . 10012 1 25 . 1 1 6 6 LEU HA H 1 4.322 . . 1 . . . . 136 LEU HA . 10012 1 26 . 1 1 6 6 LEU HB2 H 1 1.668 . . 1 . . . . 136 LEU HB2 . 10012 1 27 . 1 1 6 6 LEU HB3 H 1 1.668 . . 1 . . . . 136 LEU HB3 . 10012 1 28 . 1 1 6 6 LEU HG H 1 1.424 . . 1 . . . . 136 LEU HG . 10012 1 29 . 1 1 6 6 LEU HD11 H 1 0.915 . . 1 . . . . 136 LEU HD1 . 10012 1 30 . 1 1 6 6 LEU HD12 H 1 0.915 . . 1 . . . . 136 LEU HD1 . 10012 1 31 . 1 1 6 6 LEU HD13 H 1 0.915 . . 1 . . . . 136 LEU HD1 . 10012 1 32 . 1 1 6 6 LEU HD21 H 1 0.915 . . 1 . . . . 136 LEU HD2 . 10012 1 33 . 1 1 6 6 LEU HD22 H 1 0.915 . . 1 . . . . 136 LEU HD2 . 10012 1 34 . 1 1 6 6 LEU HD23 H 1 0.915 . . 1 . . . . 136 LEU HD2 . 10012 1 35 . 1 1 6 6 LEU C C 13 178 . . 1 . . . . 136 LEU CO . 10012 1 36 . 1 1 6 6 LEU CA C 13 55.8 . . 1 . . . . 136 LEU CA . 10012 1 37 . 1 1 6 6 LEU CB C 13 41.3 . . 1 . . . . 136 LEU CB . 10012 1 38 . 1 1 6 6 LEU N N 15 119.5 . . 1 . . . . 136 LEU N . 10012 1 39 . 1 1 7 7 ARG H H 1 8.205 . . 1 . . . . 137 ARG H . 10012 1 40 . 1 1 7 7 ARG HA H 1 4.25 . . 1 . . . . 137 ARG HA . 10012 1 41 . 1 1 7 7 ARG HB2 H 1 1.884 . . 1 . . . . 137 ARG HB2 . 10012 1 42 . 1 1 7 7 ARG HB3 H 1 1.884 . . 1 . . . . 137 ARG HB3 . 10012 1 43 . 1 1 7 7 ARG HG2 H 1 1.687 . . 1 . . . . 137 ARG HG2 . 10012 1 44 . 1 1 7 7 ARG HG3 H 1 1.687 . . 1 . . . . 137 ARG HG3 . 10012 1 45 . 1 1 7 7 ARG HD2 H 1 3.239 . . 1 . . . . 137 ARG HD2 . 10012 1 46 . 1 1 7 7 ARG HD3 H 1 3.239 . . 1 . . . . 137 ARG HD3 . 10012 1 47 . 1 1 7 7 ARG C C 13 176.7 . . 1 . . . . 137 ARG CO . 10012 1 48 . 1 1 7 7 ARG CA C 13 56.83 . . 1 . . . . 137 ARG CA . 10012 1 49 . 1 1 7 7 ARG CB C 13 30.46 . . 1 . . . . 137 ARG CB . 10012 1 50 . 1 1 7 7 ARG CG C 13 27.33 . . 1 . . . . 137 ARG CG . 10012 1 51 . 1 1 7 7 ARG CD C 13 43.47 . . 1 . . . . 137 ARG CD . 10012 1 52 . 1 1 7 7 ARG N N 15 120 . . 1 . . . . 137 ARG N . 10012 1 53 . 1 1 8 8 ALA H H 1 8.091 . . 1 . . . . 138 ALA H . 10012 1 54 . 1 1 8 8 ALA HA H 1 4.244 . . 1 . . . . 138 ALA HA . 10012 1 55 . 1 1 8 8 ALA HB1 H 1 1.413 . . 1 . . . . 138 ALA HB . 10012 1 56 . 1 1 8 8 ALA HB2 H 1 1.413 . . 1 . . . . 138 ALA HB . 10012 1 57 . 1 1 8 8 ALA HB3 H 1 1.413 . . 1 . . . . 138 ALA HB . 10012 1 58 . 1 1 8 8 ALA C C 13 177.8 . . 1 . . . . 138 ALA CO . 10012 1 59 . 1 1 8 8 ALA CA C 13 53.24 . . 1 . . . . 138 ALA CA . 10012 1 60 . 1 1 8 8 ALA CB C 13 19.44 . . 1 . . . . 138 ALA CB . 10012 1 61 . 1 1 8 8 ALA N N 15 123.2 . . 1 . . . . 138 ALA N . 10012 1 62 . 1 1 9 9 ASN H H 1 8.272 . . 1 . . . . 139 ASN H . 10012 1 63 . 1 1 9 9 ASN HA H 1 4.696 . . 1 . . . . 139 ASN HA . 10012 1 64 . 1 1 9 9 ASN HB2 H 1 2.777 . . 2 . . . . 139 ASN HB2 . 10012 1 65 . 1 1 9 9 ASN HB3 H 1 2.869 . . 2 . . . . 139 ASN HB3 . 10012 1 66 . 1 1 9 9 ASN C C 13 175.4 . . 1 . . . . 139 ASN CO . 10012 1 67 . 1 1 9 9 ASN CA C 13 53.56 . . 1 . . . . 139 ASN CA . 10012 1 68 . 1 1 9 9 ASN CB C 13 38.8 . . 1 . . . . 139 ASN CB . 10012 1 69 . 1 1 9 9 ASN N N 15 116.9 . . 1 . . . . 139 ASN N . 10012 1 70 . 1 1 10 10 LEU H H 1 8.058 . . 1 . . . . 140 LEU H . 10012 1 71 . 1 1 10 10 LEU HA H 1 4.294 . . 1 . . . . 140 LEU HA . 10012 1 72 . 1 1 10 10 LEU HB2 H 1 1.618 . . 2 . . . . 140 LEU HB2 . 10012 1 73 . 1 1 10 10 LEU HB3 H 1 1.682 . . 2 . . . . 140 LEU HB3 . 10012 1 74 . 1 1 10 10 LEU HD11 H 1 0.89 . . 1 . . . . 140 LEU HD1 . 10012 1 75 . 1 1 10 10 LEU HD12 H 1 0.89 . . 1 . . . . 140 LEU HD1 . 10012 1 76 . 1 1 10 10 LEU HD13 H 1 0.89 . . 1 . . . . 140 LEU HD1 . 10012 1 77 . 1 1 10 10 LEU HD21 H 1 0.89 . . 1 . . . . 140 LEU HD2 . 10012 1 78 . 1 1 10 10 LEU HD22 H 1 0.89 . . 1 . . . . 140 LEU HD2 . 10012 1 79 . 1 1 10 10 LEU HD23 H 1 0.89 . . 1 . . . . 140 LEU HD2 . 10012 1 80 . 1 1 10 10 LEU C C 13 177.4 . . 1 . . . . 140 LEU CO . 10012 1 81 . 1 1 10 10 LEU CA C 13 55.65 . . 1 . . . . 140 LEU CA . 10012 1 82 . 1 1 10 10 LEU CB C 13 42.29 . . 1 . . . . 140 LEU CB . 10012 1 83 . 1 1 10 10 LEU CG C 13 29.24 . . 1 . . . . 140 LEU CG . 10012 1 84 . 1 1 10 10 LEU N N 15 121.8 . . 1 . . . . 140 LEU N . 10012 1 85 . 1 1 11 11 LYS H H 1 8.178 . . 1 . . . . 141 LYS H . 10012 1 86 . 1 1 11 11 LYS HA H 1 4.298 . . 1 . . . . 141 LYS HA . 10012 1 87 . 1 1 11 11 LYS HB2 H 1 1.772 . . 1 . . . . 141 LYS HB2 . 10012 1 88 . 1 1 11 11 LYS HB3 H 1 1.772 . . 1 . . . . 141 LYS HB3 . 10012 1 89 . 1 1 11 11 LYS HG2 H 1 1.453 . . 1 . . . . 141 LYS HG2 . 10012 1 90 . 1 1 11 11 LYS HG3 H 1 1.453 . . 1 . . . . 141 LYS HG3 . 10012 1 91 . 1 1 11 11 LYS HD2 H 1 1.697 . . 1 . . . . 141 LYS HD2 . 10012 1 92 . 1 1 11 11 LYS HD3 H 1 1.697 . . 1 . . . . 141 LYS HD3 . 10012 1 93 . 1 1 11 11 LYS HE2 H 1 3.015 . . 1 . . . . 141 LYS HE2 . 10012 1 94 . 1 1 11 11 LYS HE3 H 1 3.015 . . 1 . . . . 141 LYS HE3 . 10012 1 95 . 1 1 11 11 LYS C C 13 176.5 . . 1 . . . . 141 LYS CO . 10012 1 96 . 1 1 11 11 LYS CA C 13 56.54 . . 1 . . . . 141 LYS CA . 10012 1 97 . 1 1 11 11 LYS CB C 13 32.99 . . 1 . . . . 141 LYS CB . 10012 1 98 . 1 1 11 11 LYS N N 15 121.1 . . 1 . . . . 141 LYS N . 10012 1 99 . 1 1 12 12 GLN H H 1 8.269 . . 1 . . . . 142 GLN H . 10012 1 100 . 1 1 12 12 GLN HA H 1 4.363 . . 1 . . . . 142 GLN HA . 10012 1 101 . 1 1 12 12 GLN HB2 H 1 2.016 . . 1 . . . . 142 GLN HB2 . 10012 1 102 . 1 1 12 12 GLN HB3 H 1 2.016 . . 1 . . . . 142 GLN HB3 . 10012 1 103 . 1 1 12 12 GLN HG2 H 1 2.358 . . 2 . . . . 142 GLN HG2 . 10012 1 104 . 1 1 12 12 GLN HG3 H 1 2.377 . . 2 . . . . 142 GLN HG3 . 10012 1 105 . 1 1 12 12 GLN C C 13 175.9 . . 1 . . . . 142 GLN CO . 10012 1 106 . 1 1 12 12 GLN CA C 13 55.82 . . 1 . . . . 142 GLN CA . 10012 1 107 . 1 1 12 12 GLN CB C 13 29.7 . . 1 . . . . 142 GLN CB . 10012 1 108 . 1 1 12 12 GLN CG C 13 33.81 . . 1 . . . . 142 GLN CG . 10012 1 109 . 1 1 12 12 GLN N N 15 121.3 . . 1 . . . . 142 GLN N . 10012 1 110 . 1 1 13 13 VAL H H 1 8.197 . . 1 . . . . 143 VAL H . 10012 1 111 . 1 1 13 13 VAL HA H 1 4.096 . . 1 . . . . 143 VAL HA . 10012 1 112 . 1 1 13 13 VAL HB H 1 2.072 . . 1 . . . . 143 VAL HB . 10012 1 113 . 1 1 13 13 VAL HG11 H 1 0.931 . . 2 . . . . 143 VAL HG1 . 10012 1 114 . 1 1 13 13 VAL HG12 H 1 0.931 . . 2 . . . . 143 VAL HG1 . 10012 1 115 . 1 1 13 13 VAL HG13 H 1 0.931 . . 2 . . . . 143 VAL HG1 . 10012 1 116 . 1 1 13 13 VAL HG21 H 1 0.95 . . 2 . . . . 143 VAL HG2 . 10012 1 117 . 1 1 13 13 VAL HG22 H 1 0.95 . . 2 . . . . 143 VAL HG2 . 10012 1 118 . 1 1 13 13 VAL HG23 H 1 0.95 . . 2 . . . . 143 VAL HG2 . 10012 1 119 . 1 1 13 13 VAL C C 13 176 . . 1 . . . . 143 VAL CO . 10012 1 120 . 1 1 13 13 VAL CA C 13 62.36 . . 1 . . . . 143 VAL CA . 10012 1 121 . 1 1 13 13 VAL CB C 13 32.98 . . 1 . . . . 143 VAL CB . 10012 1 122 . 1 1 13 13 VAL CG1 C 13 21.05 . . 2 . . . . 143 VAL CG . 10012 1 123 . 1 1 13 13 VAL N N 15 122.1 . . 1 . . . . 143 VAL N . 10012 1 124 . 1 1 14 14 LYS H H 1 8.461 . . 1 . . . . 144 LYS H . 10012 1 125 . 1 1 14 14 LYS HA H 1 4.364 . . 1 . . . . 144 LYS HA . 10012 1 126 . 1 1 14 14 LYS HB2 H 1 1.788 . . 1 . . . . 144 LYS HB2 . 10012 1 127 . 1 1 14 14 LYS HB3 H 1 1.788 . . 1 . . . . 144 LYS HB3 . 10012 1 128 . 1 1 14 14 LYS HG2 H 1 1.437 . . 1 . . . . 144 LYS HG2 . 10012 1 129 . 1 1 14 14 LYS HG3 H 1 1.437 . . 1 . . . . 144 LYS HG3 . 10012 1 130 . 1 1 14 14 LYS HD2 H 1 1.73 . . 1 . . . . 144 LYS HD2 . 10012 1 131 . 1 1 14 14 LYS HD3 H 1 1.73 . . 1 . . . . 144 LYS HD3 . 10012 1 132 . 1 1 14 14 LYS HE2 H 1 3.019 . . 1 . . . . 144 LYS HE2 . 10012 1 133 . 1 1 14 14 LYS HE3 H 1 3.019 . . 1 . . . . 144 LYS HE3 . 10012 1 134 . 1 1 14 14 LYS C C 13 176.4 . . 1 . . . . 144 LYS CO . 10012 1 135 . 1 1 14 14 LYS CA C 13 56.16 . . 1 . . . . 144 LYS CA . 10012 1 136 . 1 1 14 14 LYS CB C 13 33.33 . . 1 . . . . 144 LYS CB . 10012 1 137 . 1 1 14 14 LYS CG C 13 24.75 . . 1 . . . . 144 LYS CG . 10012 1 138 . 1 1 14 14 LYS CD C 13 29.2 . . 1 . . . . 144 LYS CD . 10012 1 139 . 1 1 14 14 LYS CE C 13 42.2 . . 1 . . . . 144 LYS CE . 10012 1 140 . 1 1 14 14 LYS N N 15 125.8 . . 1 . . . . 144 LYS N . 10012 1 141 . 1 1 15 15 LYS H H 1 8.486 . . 1 . . . . 145 LYS H . 10012 1 142 . 1 1 15 15 LYS HA H 1 4.333 . . 1 . . . . 145 LYS HA . 10012 1 143 . 1 1 15 15 LYS HB2 H 1 1.752 . . 1 . . . . 145 LYS HB2 . 10012 1 144 . 1 1 15 15 LYS HB3 H 1 1.752 . . 1 . . . . 145 LYS HB3 . 10012 1 145 . 1 1 15 15 LYS HG2 H 1 1.456 . . 1 . . . . 145 LYS HG2 . 10012 1 146 . 1 1 15 15 LYS HG3 H 1 1.456 . . 1 . . . . 145 LYS HG3 . 10012 1 147 . 1 1 15 15 LYS HD2 H 1 1.681 . . 1 . . . . 145 LYS HD2 . 10012 1 148 . 1 1 15 15 LYS HD3 H 1 1.681 . . 1 . . . . 145 LYS HD3 . 10012 1 149 . 1 1 15 15 LYS HE2 H 1 3.002 . . 1 . . . . 145 LYS HE2 . 10012 1 150 . 1 1 15 15 LYS HE3 H 1 3.002 . . 1 . . . . 145 LYS HE3 . 10012 1 151 . 1 1 15 15 LYS C C 13 176.7 . . 1 . . . . 145 LYS CO . 10012 1 152 . 1 1 15 15 LYS CA C 13 56.66 . . 1 . . . . 145 LYS CA . 10012 1 153 . 1 1 15 15 LYS CB C 13 33.23 . . 1 . . . . 145 LYS CB . 10012 1 154 . 1 1 15 15 LYS CG C 13 24.78 . . 1 . . . . 145 LYS CG . 10012 1 155 . 1 1 15 15 LYS CD C 13 29.26 . . 1 . . . . 145 LYS CD . 10012 1 156 . 1 1 15 15 LYS CE C 13 42.15 . . 1 . . . . 145 LYS CE . 10012 1 157 . 1 1 15 15 LYS N N 15 124.4 . . 1 . . . . 145 LYS N . 10012 1 158 . 1 1 16 16 GLU H H 1 8.668 . . 1 . . . . 146 GLU H . 10012 1 159 . 1 1 16 16 GLU HA H 1 4.327 . . 1 . . . . 146 GLU HA . 10012 1 160 . 1 1 16 16 GLU HB2 H 1 1.984 . . 1 . . . . 146 GLU HB2 . 10012 1 161 . 1 1 16 16 GLU HB3 H 1 1.984 . . 1 . . . . 146 GLU HB3 . 10012 1 162 . 1 1 16 16 GLU HG2 H 1 2.289 . . 1 . . . . 146 GLU HG2 . 10012 1 163 . 1 1 16 16 GLU HG3 H 1 2.289 . . 1 . . . . 146 GLU HG3 . 10012 1 164 . 1 1 16 16 GLU C C 13 176.4 . . 1 . . . . 146 GLU CO . 10012 1 165 . 1 1 16 16 GLU CA C 13 56.76 . . 1 . . . . 146 GLU CA . 10012 1 166 . 1 1 16 16 GLU CB C 13 30.48 . . 1 . . . . 146 GLU CB . 10012 1 167 . 1 1 16 16 GLU CG C 13 36.29 . . 1 . . . . 146 GLU CG . 10012 1 168 . 1 1 16 16 GLU N N 15 122.2 . . 1 . . . . 146 GLU N . 10012 1 169 . 1 1 17 17 ASP H H 1 8.456 . . 1 . . . . 147 ASP H . 10012 1 170 . 1 1 17 17 ASP HA H 1 4.675 . . 1 . . . . 147 ASP HA . 10012 1 171 . 1 1 17 17 ASP HB2 H 1 2.652 . . 2 . . . . 147 ASP HB2 . 10012 1 172 . 1 1 17 17 ASP HB3 H 1 2.77 . . 2 . . . . 147 ASP HB3 . 10012 1 173 . 1 1 17 17 ASP C C 13 176.8 . . 1 . . . . 147 ASP CO . 10012 1 174 . 1 1 17 17 ASP CA C 13 54.73 . . 1 . . . . 147 ASP CA . 10012 1 175 . 1 1 17 17 ASP CB C 13 41.25 . . 1 . . . . 147 ASP CB . 10012 1 176 . 1 1 17 17 ASP N N 15 121.8 . . 1 . . . . 147 ASP N . 10012 1 177 . 1 1 18 18 THR H H 1 8.111 . . 1 . . . . 148 THR H . 10012 1 178 . 1 1 18 18 THR HA H 1 4.303 . . 1 . . . . 148 THR HA . 10012 1 179 . 1 1 18 18 THR HB H 1 4.212 . . 1 . . . . 148 THR HB . 10012 1 180 . 1 1 18 18 THR HG1 H 1 4.574 . . 1 . . . . 148 THR HG1 . 10012 1 181 . 1 1 18 18 THR HG21 H 1 1.238 . . 1 . . . . 148 THR HG2 . 10012 1 182 . 1 1 18 18 THR HG22 H 1 1.238 . . 1 . . . . 148 THR HG2 . 10012 1 183 . 1 1 18 18 THR HG23 H 1 1.238 . . 1 . . . . 148 THR HG2 . 10012 1 184 . 1 1 18 18 THR C C 13 175.1 . . 1 . . . . 148 THR CO . 10012 1 185 . 1 1 18 18 THR CA C 13 62.38 . . 1 . . . . 148 THR CA . 10012 1 186 . 1 1 18 18 THR CB C 13 69.6 . . 1 . . . . 148 THR CB . 10012 1 187 . 1 1 18 18 THR CG2 C 13 21.97 . . 1 . . . . 148 THR CG . 10012 1 188 . 1 1 18 18 THR N N 15 113.9 . . 1 . . . . 148 THR N . 10012 1 189 . 1 1 19 19 GLU H H 1 8.406 . . 1 . . . . 149 GLU H . 10012 1 190 . 1 1 19 19 GLU HA H 1 4.288 . . 1 . . . . 149 GLU HA . 10012 1 191 . 1 1 19 19 GLU HB2 H 1 2.013 . . 1 . . . . 149 GLU HB2 . 10012 1 192 . 1 1 19 19 GLU HB3 H 1 2.013 . . 1 . . . . 149 GLU HB3 . 10012 1 193 . 1 1 19 19 GLU HG2 H 1 2.28 . . 1 . . . . 149 GLU HG2 . 10012 1 194 . 1 1 19 19 GLU HG3 H 1 2.28 . . 1 . . . . 149 GLU HG3 . 10012 1 195 . 1 1 19 19 GLU C C 13 176.8 . . 1 . . . . 149 GLU CO . 10012 1 196 . 1 1 19 19 GLU CA C 13 57.05 . . 1 . . . . 149 GLU CA . 10012 1 197 . 1 1 19 19 GLU CB C 13 30.2 . . 1 . . . . 149 GLU CB . 10012 1 198 . 1 1 19 19 GLU CG C 13 36.42 . . 1 . . . . 149 GLU CG . 10012 1 199 . 1 1 19 19 GLU N N 15 122.8 . . 1 . . . . 149 GLU N . 10012 1 200 . 1 1 20 20 LYS H H 1 8.182 . . 1 . . . . 150 LYS H . 10012 1 201 . 1 1 20 20 LYS HA H 1 4.275 . . 1 . . . . 150 LYS HA . 10012 1 202 . 1 1 20 20 LYS HB2 H 1 1.818 . . 1 . . . . 150 LYS HB2 . 10012 1 203 . 1 1 20 20 LYS HB3 H 1 1.818 . . 1 . . . . 150 LYS HB3 . 10012 1 204 . 1 1 20 20 LYS HG2 H 1 1.469 . . 1 . . . . 150 LYS HG2 . 10012 1 205 . 1 1 20 20 LYS HG3 H 1 1.469 . . 1 . . . . 150 LYS HG3 . 10012 1 206 . 1 1 20 20 LYS HD2 H 1 1.736 . . 1 . . . . 150 LYS HD2 . 10012 1 207 . 1 1 20 20 LYS HD3 H 1 1.736 . . 1 . . . . 150 LYS HD3 . 10012 1 208 . 1 1 20 20 LYS HE2 H 1 3.032 . . 1 . . . . 150 LYS HE2 . 10012 1 209 . 1 1 20 20 LYS HE3 H 1 3.032 . . 1 . . . . 150 LYS HE3 . 10012 1 210 . 1 1 20 20 LYS C C 13 176.9 . . 1 . . . . 150 LYS CO . 10012 1 211 . 1 1 20 20 LYS CA C 13 56.86 . . 1 . . . . 150 LYS CA . 10012 1 212 . 1 1 20 20 LYS CB C 13 33.14 . . 1 . . . . 150 LYS CB . 10012 1 213 . 1 1 20 20 LYS CG C 13 24.8 . . 1 . . . . 150 LYS CG . 10012 1 214 . 1 1 20 20 LYS CD C 13 29.15 . . 1 . . . . 150 LYS CD . 10012 1 215 . 1 1 20 20 LYS CE C 13 42.23 . . 1 . . . . 150 LYS CE . 10012 1 216 . 1 1 20 20 LYS N N 15 121.6 . . 1 . . . . 150 LYS N . 10012 1 217 . 1 1 21 21 GLU H H 1 8.378 . . 1 . . . . 151 GLU H . 10012 1 218 . 1 1 21 21 GLU HA H 1 4.224 . . 1 . . . . 151 GLU HA . 10012 1 219 . 1 1 21 21 GLU HB2 H 1 1.98 . . 2 . . . . 151 GLU HB2 . 10012 1 220 . 1 1 21 21 GLU HB3 H 1 2.076 . . 2 . . . . 151 GLU HB3 . 10012 1 221 . 1 1 21 21 GLU HG2 H 1 2.263 . . 2 . . . . 151 GLU HG2 . 10012 1 222 . 1 1 21 21 GLU HG3 H 1 2.309 . . 2 . . . . 151 GLU HG3 . 10012 1 223 . 1 1 21 21 GLU C C 13 176.8 . . 1 . . . . 151 GLU CO . 10012 1 224 . 1 1 21 21 GLU CA C 13 57 . . 1 . . . . 151 GLU CA . 10012 1 225 . 1 1 21 21 GLU CB C 13 30.12 . . 1 . . . . 151 GLU CB . 10012 1 226 . 1 1 21 21 GLU CG C 13 36.39 . . 1 . . . . 151 GLU CG . 10012 1 227 . 1 1 21 21 GLU N N 15 121.3 . . 1 . . . . 151 GLU N . 10012 1 228 . 1 1 22 22 LYS H H 1 8.22 . . 1 . . . . 152 LYS H . 10012 1 229 . 1 1 22 22 LYS HA H 1 4.227 . . 1 . . . . 152 LYS HA . 10012 1 230 . 1 1 22 22 LYS HB2 H 1 1.791 . . 1 . . . . 152 LYS HB2 . 10012 1 231 . 1 1 22 22 LYS HB3 H 1 1.791 . . 1 . . . . 152 LYS HB3 . 10012 1 232 . 1 1 22 22 LYS HG2 H 1 1.443 . . 1 . . . . 152 LYS HG2 . 10012 1 233 . 1 1 22 22 LYS HG3 H 1 1.443 . . 1 . . . . 152 LYS HG3 . 10012 1 234 . 1 1 22 22 LYS HD2 H 1 1.707 . . 1 . . . . 152 LYS HD2 . 10012 1 235 . 1 1 22 22 LYS HD3 H 1 1.707 . . 1 . . . . 152 LYS HD3 . 10012 1 236 . 1 1 22 22 LYS HE2 H 1 3.025 . . 1 . . . . 152 LYS HE2 . 10012 1 237 . 1 1 22 22 LYS HE3 H 1 3.025 . . 1 . . . . 152 LYS HE3 . 10012 1 238 . 1 1 22 22 LYS C C 13 176.4 . . 1 . . . . 152 LYS CO . 10012 1 239 . 1 1 22 22 LYS CA C 13 56.89 . . 1 . . . . 152 LYS CA . 10012 1 240 . 1 1 22 22 LYS CB C 13 33.18 . . 1 . . . . 152 LYS CB . 10012 1 241 . 1 1 22 22 LYS CG C 13 24.83 . . 1 . . . . 152 LYS CG . 10012 1 242 . 1 1 22 22 LYS CD C 13 29.15 . . 1 . . . . 152 LYS CD . 10012 1 243 . 1 1 22 22 LYS CE C 13 42.2 . . 1 . . . . 152 LYS CE . 10012 1 244 . 1 1 22 22 LYS N N 15 121.7 . . 1 . . . . 152 LYS N . 10012 1 245 . 1 1 23 23 ASP H H 1 8.355 . . 1 . . . . 153 ASP H . 10012 1 246 . 1 1 23 23 ASP HA H 1 4.598 . . 1 . . . . 153 ASP HA . 10012 1 247 . 1 1 23 23 ASP HB2 H 1 2.768 . . 2 . . . . 153 ASP HB2 . 10012 1 248 . 1 1 23 23 ASP HB3 H 1 2.629 . . 2 . . . . 153 ASP HB3 . 10012 1 249 . 1 1 23 23 ASP C C 13 176.4 . . 1 . . . . 153 ASP CO . 10012 1 250 . 1 1 23 23 ASP CA C 13 54.53 . . 1 . . . . 153 ASP CA . 10012 1 251 . 1 1 23 23 ASP CB C 13 41.32 . . 1 . . . . 153 ASP CB . 10012 1 252 . 1 1 23 23 ASP N N 15 121.2 . . 1 . . . . 153 ASP N . 10012 1 253 . 1 1 24 24 LEU H H 1 8.188 . . 1 . . . . 154 LEU H . 10012 1 254 . 1 1 24 24 LEU HA H 1 4.316 . . 1 . . . . 154 LEU HA . 10012 1 255 . 1 1 24 24 LEU HB2 H 1 1.617 . . 2 . . . . 154 LEU HB2 . 10012 1 256 . 1 1 24 24 LEU HB3 H 1 1.678 . . 2 . . . . 154 LEU HB3 . 10012 1 257 . 1 1 24 24 LEU HG H 1 1.383 . . 1 . . . . 154 LEU HG . 10012 1 258 . 1 1 24 24 LEU HD11 H 1 0.868 . . 2 . . . . 154 LEU HD1 . 10012 1 259 . 1 1 24 24 LEU HD12 H 1 0.868 . . 2 . . . . 154 LEU HD1 . 10012 1 260 . 1 1 24 24 LEU HD13 H 1 0.868 . . 2 . . . . 154 LEU HD1 . 10012 1 261 . 1 1 24 24 LEU HD21 H 1 0.929 . . 2 . . . . 154 LEU HD2 . 10012 1 262 . 1 1 24 24 LEU HD22 H 1 0.929 . . 2 . . . . 154 LEU HD2 . 10012 1 263 . 1 1 24 24 LEU HD23 H 1 0.929 . . 2 . . . . 154 LEU HD2 . 10012 1 264 . 1 1 24 24 LEU C C 13 177.7 . . 1 . . . . 154 LEU CO . 10012 1 265 . 1 1 24 24 LEU CA C 13 55.44 . . 1 . . . . 154 LEU CA . 10012 1 266 . 1 1 24 24 LEU CB C 13 42.1 . . 1 . . . . 154 LEU CB . 10012 1 267 . 1 1 24 24 LEU CG C 13 26.96 . . 1 . . . . 154 LEU CG . 10012 1 268 . 1 1 24 24 LEU CD1 C 13 23.5 . . 2 . . . . 154 LEU CD1 . 10012 1 269 . 1 1 24 24 LEU CD2 C 13 25.2 . . 2 . . . . 154 LEU CD2 . 10012 1 270 . 1 1 24 24 LEU N N 15 123 . . 1 . . . . 154 LEU N . 10012 1 271 . 1 1 25 25 ARG H H 1 8.245 . . 1 . . . . 155 ARG H . 10012 1 272 . 1 1 25 25 ARG HA H 1 4.249 . . 1 . . . . 155 ARG HA . 10012 1 273 . 1 1 25 25 ARG HB2 H 1 1.811 . . 1 . . . . 155 ARG HB2 . 10012 1 274 . 1 1 25 25 ARG HB3 H 1 1.811 . . 1 . . . . 155 ARG HB3 . 10012 1 275 . 1 1 25 25 ARG HG2 H 1 1.654 . . 1 . . . . 155 ARG HG2 . 10012 1 276 . 1 1 25 25 ARG HG3 H 1 1.654 . . 1 . . . . 155 ARG HG3 . 10012 1 277 . 1 1 25 25 ARG HD2 H 1 3.179 . . 1 . . . . 155 ARG HD2 . 10012 1 278 . 1 1 25 25 ARG HD3 H 1 3.179 . . 1 . . . . 155 ARG HD3 . 10012 1 279 . 1 1 25 25 ARG C C 13 176.3 . . 1 . . . . 155 ARG CO . 10012 1 280 . 1 1 25 25 ARG CA C 13 56.64 . . 1 . . . . 155 ARG CA . 10012 1 281 . 1 1 25 25 ARG CB C 13 30.86 . . 1 . . . . 155 ARG CB . 10012 1 282 . 1 1 25 25 ARG CG C 13 27.07 . . 1 . . . . 155 ARG CG . 10012 1 283 . 1 1 25 25 ARG CD C 13 43.45 . . 1 . . . . 155 ARG CD . 10012 1 284 . 1 1 25 25 ARG N N 15 120.7 . . 1 . . . . 155 ARG N . 10012 1 285 . 1 1 26 26 ASP H H 1 8.335 . . 1 . . . . 156 ASP H . 10012 1 286 . 1 1 26 26 ASP HA H 1 4.666 . . 1 . . . . 156 ASP HA . 10012 1 287 . 1 1 26 26 ASP HB2 H 1 2.641 . . 2 . . . . 156 ASP HB2 . 10012 1 288 . 1 1 26 26 ASP HB3 H 1 2.765 . . 2 . . . . 156 ASP HB3 . 10012 1 289 . 1 1 26 26 ASP C C 13 176.4 . . 1 . . . . 156 ASP CO . 10012 1 290 . 1 1 26 26 ASP CA C 13 54.45 . . 1 . . . . 156 ASP CA . 10012 1 291 . 1 1 26 26 ASP CB C 13 41.4 . . 1 . . . . 156 ASP CB . 10012 1 292 . 1 1 26 26 ASP N N 15 120.9 . . 1 . . . . 156 ASP N . 10012 1 293 . 1 1 27 27 VAL H H 1 8.043 . . 1 . . . . 157 VAL H . 10012 1 294 . 1 1 27 27 VAL HA H 1 4.128 . . 1 . . . . 157 VAL HA . 10012 1 295 . 1 1 27 27 VAL HB H 1 2.185 . . 1 . . . . 157 VAL HB . 10012 1 296 . 1 1 27 27 VAL HG11 H 1 0.945 . . 2 . . . . 157 VAL HG1 . 10012 1 297 . 1 1 27 27 VAL HG12 H 1 0.945 . . 2 . . . . 157 VAL HG1 . 10012 1 298 . 1 1 27 27 VAL HG13 H 1 0.945 . . 2 . . . . 157 VAL HG1 . 10012 1 299 . 1 1 27 27 VAL HG21 H 1 0.956 . . 2 . . . . 157 VAL HG2 . 10012 1 300 . 1 1 27 27 VAL HG22 H 1 0.956 . . 2 . . . . 157 VAL HG2 . 10012 1 301 . 1 1 27 27 VAL HG23 H 1 0.956 . . 2 . . . . 157 VAL HG2 . 10012 1 302 . 1 1 27 27 VAL C C 13 176.8 . . 1 . . . . 157 VAL CO . 10012 1 303 . 1 1 27 27 VAL CA C 13 62.54 . . 1 . . . . 157 VAL CA . 10012 1 304 . 1 1 27 27 VAL CB C 13 32.6 . . 1 . . . . 157 VAL CB . 10012 1 305 . 1 1 27 27 VAL CG1 C 13 20.4 . . 2 . . . . 157 VAL CG1 . 10012 1 306 . 1 1 27 27 VAL CG2 C 13 21.32 . . 2 . . . . 157 VAL CG2 . 10012 1 307 . 1 1 27 27 VAL N N 15 119.4 . . 1 . . . . 157 VAL N . 10012 1 308 . 1 1 28 28 GLY H H 1 8.408 . . 1 . . . . 158 GLY H . 10012 1 309 . 1 1 28 28 GLY HA2 H 1 3.904 . . 1 . . . . 158 GLY HA2 . 10012 1 310 . 1 1 28 28 GLY HA3 H 1 3.904 . . 1 . . . . 158 GLY HA3 . 10012 1 311 . 1 1 28 28 GLY C C 13 174.1 . . 1 . . . . 158 GLY CO . 10012 1 312 . 1 1 28 28 GLY CA C 13 45.5 . . 1 . . . . 158 GLY CA . 10012 1 313 . 1 1 28 28 GLY N N 15 111.1 . . 1 . . . . 158 GLY N . 10012 1 314 . 1 1 29 29 ASP H H 1 8.213 . . 1 . . . . 159 ASP H . 10012 1 315 . 1 1 29 29 ASP HA H 1 4.585 . . 1 . . . . 159 ASP HA . 10012 1 316 . 1 1 29 29 ASP HB2 H 1 2.616 . . 2 . . . . 159 ASP HB2 . 10012 1 317 . 1 1 29 29 ASP HB3 H 1 2.766 . . 2 . . . . 159 ASP HB3 . 10012 1 318 . 1 1 29 29 ASP C C 13 176.6 . . 1 . . . . 159 ASP CO . 10012 1 319 . 1 1 29 29 ASP CA C 13 54.51 . . 1 . . . . 159 ASP CA . 10012 1 320 . 1 1 29 29 ASP CB C 13 41.2 . . 1 . . . . 159 ASP CB . 10012 1 321 . 1 1 29 29 ASP N N 15 121 . . 1 . . . . 159 ASP N . 10012 1 322 . 1 1 30 30 TRP H H 1 7.982 . . 1 . . . . 160 TRP H . 10012 1 323 . 1 1 30 30 TRP HA H 1 4.538 . . 1 . . . . 160 TRP HA . 10012 1 324 . 1 1 30 30 TRP HB2 H 1 3.3 . . 2 . . . . 160 TRP HB2 . 10012 1 325 . 1 1 30 30 TRP HB3 H 1 3.396 . . 2 . . . . 160 TRP HB3 . 10012 1 326 . 1 1 30 30 TRP HD1 H 1 7.364 . . 1 . . . . 160 TRP HD1 . 10012 1 327 . 1 1 30 30 TRP HE1 H 1 10.24 . . 1 . . . . 160 TRP HE1 . 10012 1 328 . 1 1 30 30 TRP HE3 H 1 7.495 . . 1 . . . . 160 TRP HE3 . 10012 1 329 . 1 1 30 30 TRP HZ2 H 1 7.552 . . 1 . . . . 160 TRP HZ2 . 10012 1 330 . 1 1 30 30 TRP HZ3 H 1 7.216 . . 1 . . . . 160 TRP HZ3 . 10012 1 331 . 1 1 30 30 TRP HH2 H 1 7.13 . . 1 . . . . 160 TRP HH2 . 10012 1 332 . 1 1 30 30 TRP C C 13 176.8 . . 1 . . . . 160 TRP CO . 10012 1 333 . 1 1 30 30 TRP CA C 13 58 . . 1 . . . . 160 TRP CA . 10012 1 334 . 1 1 30 30 TRP CB C 13 29.02 . . 1 . . . . 160 TRP CB . 10012 1 335 . 1 1 30 30 TRP N N 15 122 . . 1 . . . . 160 TRP N . 10012 1 336 . 1 1 31 31 ARG H H 1 7.788 . . 1 . . . . 161 ARG H . 10012 1 337 . 1 1 31 31 ARG HA H 1 3.927 . . 1 . . . . 161 ARG HA . 10012 1 338 . 1 1 31 31 ARG HB2 H 1 1.457 . . 2 . . . . 161 ARG HB2 . 10012 1 339 . 1 1 31 31 ARG HB3 H 1 1.621 . . 2 . . . . 161 ARG HB3 . 10012 1 340 . 1 1 31 31 ARG HG2 H 1 0.942 . . 2 . . . . 161 ARG HG2 . 10012 1 341 . 1 1 31 31 ARG HG3 H 1 1.055 . . 2 . . . . 161 ARG HG3 . 10012 1 342 . 1 1 31 31 ARG HD2 H 1 2.988 . . 1 . . . . 161 ARG HD . 10012 1 343 . 1 1 31 31 ARG HD3 H 1 2.988 . . 1 . . . . 161 ARG HD . 10012 1 344 . 1 1 31 31 ARG C C 13 176.7 . . 1 . . . . 161 ARG CO . 10012 1 345 . 1 1 31 31 ARG CA C 13 57 . . 1 . . . . 161 ARG CA . 10012 1 346 . 1 1 31 31 ARG CB C 13 30.21 . . 1 . . . . 161 ARG CB . 10012 1 347 . 1 1 31 31 ARG CG C 13 26.76 . . 1 . . . . 161 ARG CG . 10012 1 348 . 1 1 31 31 ARG CD C 13 43.21 . . 1 . . . . 161 ARG CD . 10012 1 349 . 1 1 31 31 ARG N N 15 121.4 . . 1 . . . . 161 ARG N . 10012 1 350 . 1 1 32 32 LYS H H 1 7.885 . . 1 . . . . 162 LYS H . 10012 1 351 . 1 1 32 32 LYS HA H 1 4.16 . . 1 . . . . 162 LYS HA . 10012 1 352 . 1 1 32 32 LYS HB2 H 1 1.778 . . 1 . . . . 162 LYS HB2 . 10012 1 353 . 1 1 32 32 LYS HB3 H 1 1.778 . . 1 . . . . 162 LYS HB3 . 10012 1 354 . 1 1 32 32 LYS HG2 H 1 1.417 . . 1 . . . . 162 LYS HG2 . 10012 1 355 . 1 1 32 32 LYS HG3 H 1 1.417 . . 1 . . . . 162 LYS HG3 . 10012 1 356 . 1 1 32 32 LYS HD2 H 1 1.681 . . 1 . . . . 162 LYS HD2 . 10012 1 357 . 1 1 32 32 LYS HD3 H 1 1.681 . . 1 . . . . 162 LYS HD3 . 10012 1 358 . 1 1 32 32 LYS HE2 H 1 2.993 . . 1 . . . . 162 LYS HE2 . 10012 1 359 . 1 1 32 32 LYS HE3 H 1 2.993 . . 1 . . . . 162 LYS HE3 . 10012 1 360 . 1 1 32 32 LYS C C 13 176.6 . . 1 . . . . 162 LYS CO . 10012 1 361 . 1 1 32 32 LYS CA C 13 56.9 . . 1 . . . . 162 LYS CA . 10012 1 362 . 1 1 32 32 LYS CB C 13 33.01 . . 1 . . . . 162 LYS CB . 10012 1 363 . 1 1 32 32 LYS CG C 13 24.8 . . 1 . . . . 162 LYS CG . 10012 1 364 . 1 1 32 32 LYS CD C 13 29.19 . . 1 . . . . 162 LYS CD . 10012 1 365 . 1 1 32 32 LYS CE C 13 42.28 . . 1 . . . . 162 LYS CE . 10012 1 366 . 1 1 32 32 LYS N N 15 120.3 . . 1 . . . . 162 LYS N . 10012 1 367 . 1 1 33 33 ASN H H 1 8.248 . . 1 . . . . 163 ASN H . 10012 1 368 . 1 1 33 33 ASN HA H 1 4.696 . . 1 . . . . 163 ASN HA . 10012 1 369 . 1 1 33 33 ASN HB2 H 1 2.765 . . 2 . . . . 163 ASN HB2 . 10012 1 370 . 1 1 33 33 ASN HB3 H 1 2.857 . . 2 . . . . 163 ASN HB3 . 10012 1 371 . 1 1 33 33 ASN C C 13 175.5 . . 1 . . . . 163 ASN CO . 10012 1 372 . 1 1 33 33 ASN CA C 13 53.71 . . 1 . . . . 163 ASN CA . 10012 1 373 . 1 1 33 33 ASN CB C 13 38.92 . . 1 . . . . 163 ASN CB . 10012 1 374 . 1 1 33 33 ASN N N 15 118.8 . . 1 . . . . 163 ASN N . 10012 1 375 . 1 1 34 34 ILE H H 1 7.973 . . 1 . . . . 164 ILE H . 10012 1 376 . 1 1 34 34 ILE HA H 1 4.132 . . 1 . . . . 164 ILE HA . 10012 1 377 . 1 1 34 34 ILE HB H 1 1.906 . . 1 . . . . 164 ILE HB . 10012 1 378 . 1 1 34 34 ILE HG12 H 1 1.459 . . 2 . . . . 164 ILE HG12 . 10012 1 379 . 1 1 34 34 ILE HG13 H 1 1.201 . . 2 . . . . 164 ILE HG13 . 10012 1 380 . 1 1 34 34 ILE HG21 H 1 0.912 . . 1 . . . . 164 ILE HG2 . 10012 1 381 . 1 1 34 34 ILE HG22 H 1 0.912 . . 1 . . . . 164 ILE HG2 . 10012 1 382 . 1 1 34 34 ILE HG23 H 1 0.912 . . 1 . . . . 164 ILE HG2 . 10012 1 383 . 1 1 34 34 ILE HD11 H 1 0.868 . . 1 . . . . 164 ILE HD1 . 10012 1 384 . 1 1 34 34 ILE HD12 H 1 0.868 . . 1 . . . . 164 ILE HD1 . 10012 1 385 . 1 1 34 34 ILE HD13 H 1 0.868 . . 1 . . . . 164 ILE HD1 . 10012 1 386 . 1 1 34 34 ILE C C 13 176.5 . . 1 . . . . 164 ILE CO . 10012 1 387 . 1 1 34 34 ILE CA C 13 61.68 . . 1 . . . . 164 ILE CA . 10012 1 388 . 1 1 34 34 ILE CB C 13 38.79 . . 1 . . . . 164 ILE CB . 10012 1 389 . 1 1 34 34 ILE CG1 C 13 27.45 . . 1 . . . . 164 ILE CG1 . 10012 1 390 . 1 1 34 34 ILE CG2 C 13 17.72 . . 1 . . . . 164 ILE CG2 . 10012 1 391 . 1 1 34 34 ILE CD1 C 13 13.24 . . 1 . . . . 164 ILE CD . 10012 1 392 . 1 1 34 34 ILE N N 15 120.3 . . 1 . . . . 164 ILE N . 10012 1 393 . 1 1 35 35 GLU H H 1 8.393 . . 1 . . . . 165 GLU H . 10012 1 394 . 1 1 35 35 GLU HA H 1 4.282 . . 1 . . . . 165 GLU HA . 10012 1 395 . 1 1 35 35 GLU HB2 H 1 2.029 . . 1 . . . . 165 GLU HB2 . 10012 1 396 . 1 1 35 35 GLU HB3 H 1 2.029 . . 1 . . . . 165 GLU HB3 . 10012 1 397 . 1 1 35 35 GLU HG2 H 1 2.283 . . 1 . . . . 165 GLU HG2 . 10012 1 398 . 1 1 35 35 GLU HG3 H 1 2.283 . . 1 . . . . 165 GLU HG3 . 10012 1 399 . 1 1 35 35 GLU C C 13 176.8 . . 1 . . . . 165 GLU CO . 10012 1 400 . 1 1 35 35 GLU CA C 13 56.98 . . 1 . . . . 165 GLU CA . 10012 1 401 . 1 1 35 35 GLU CB C 13 30.44 . . 1 . . . . 165 GLU CB . 10012 1 402 . 1 1 35 35 GLU CG C 13 36.44 . . 1 . . . . 165 GLU CG . 10012 1 403 . 1 1 35 35 GLU N N 15 124 . . 1 . . . . 165 GLU N . 10012 1 404 . 1 1 36 36 GLU H H 1 8.376 . . 1 . . . . 166 GLU H . 10012 1 405 . 1 1 36 36 GLU HA H 1 4.3 . . 1 . . . . 166 GLU HA . 10012 1 406 . 1 1 36 36 GLU HB2 H 1 2.026 . . 1 . . . . 166 GLU HB2 . 10012 1 407 . 1 1 36 36 GLU HB3 H 1 2.026 . . 1 . . . . 166 GLU HB3 . 10012 1 408 . 1 1 36 36 GLU HG2 H 1 2.289 . . 1 . . . . 166 GLU HG2 . 10012 1 409 . 1 1 36 36 GLU HG3 H 1 2.289 . . 1 . . . . 166 GLU HG3 . 10012 1 410 . 1 1 36 36 GLU C C 13 176.7 . . 1 . . . . 166 GLU CO . 10012 1 411 . 1 1 36 36 GLU CA C 13 56.91 . . 1 . . . . 166 GLU CA . 10012 1 412 . 1 1 36 36 GLU CB C 13 30.48 . . 1 . . . . 166 GLU CB . 10012 1 413 . 1 1 36 36 GLU CG C 13 36.44 . . 1 . . . . 166 GLU CG . 10012 1 414 . 1 1 36 36 GLU N N 15 122.3 . . 1 . . . . 166 GLU N . 10012 1 415 . 1 1 37 37 LYS H H 1 8.351 . . 1 . . . . 167 LYS H . 10012 1 416 . 1 1 37 37 LYS HA H 1 4.367 . . 1 . . . . 167 LYS HA . 10012 1 417 . 1 1 37 37 LYS HB2 H 1 1.876 . . 1 . . . . 167 LYS HB2 . 10012 1 418 . 1 1 37 37 LYS HB3 H 1 1.876 . . 1 . . . . 167 LYS HB3 . 10012 1 419 . 1 1 37 37 LYS HG2 H 1 1.459 . . 1 . . . . 167 LYS HG2 . 10012 1 420 . 1 1 37 37 LYS HG3 H 1 1.459 . . 1 . . . . 167 LYS HG3 . 10012 1 421 . 1 1 37 37 LYS HD2 H 1 1.707 . . 1 . . . . 167 LYS HD2 . 10012 1 422 . 1 1 37 37 LYS HD3 H 1 1.707 . . 1 . . . . 167 LYS HD3 . 10012 1 423 . 1 1 37 37 LYS HE2 H 1 3.006 . . 1 . . . . 167 LYS HE2 . 10012 1 424 . 1 1 37 37 LYS HE3 H 1 3.006 . . 1 . . . . 167 LYS HE3 . 10012 1 425 . 1 1 37 37 LYS C C 13 176.9 . . 1 . . . . 167 LYS CO . 10012 1 426 . 1 1 37 37 LYS CA C 13 56.58 . . 1 . . . . 167 LYS CA . 10012 1 427 . 1 1 37 37 LYS CB C 13 33.08 . . 1 . . . . 167 LYS CB . 10012 1 428 . 1 1 37 37 LYS CG C 13 24.8 . . 1 . . . . 167 LYS CG . 10012 1 429 . 1 1 37 37 LYS CD C 13 29.13 . . 1 . . . . 167 LYS CD . 10012 1 430 . 1 1 37 37 LYS CE C 13 42.23 . . 1 . . . . 167 LYS CE . 10012 1 431 . 1 1 37 37 LYS N N 15 122.1 . . 1 . . . . 167 LYS N . 10012 1 432 . 1 1 38 38 SER H H 1 8.405 . . 1 . . . . 168 SER H . 10012 1 433 . 1 1 38 38 SER HA H 1 4.451 . . 1 . . . . 168 SER HA . 10012 1 434 . 1 1 38 38 SER HB2 H 1 3.907 . . 2 . . . . 168 SER HB2 . 10012 1 435 . 1 1 38 38 SER HB3 H 1 3.934 . . 2 . . . . 168 SER HB3 . 10012 1 436 . 1 1 38 38 SER C C 13 175.4 . . 1 . . . . 168 SER CO . 10012 1 437 . 1 1 38 38 SER CA C 13 58.86 . . 1 . . . . 168 SER CA . 10012 1 438 . 1 1 38 38 SER CB C 13 63.86 . . 1 . . . . 168 SER CB . 10012 1 439 . 1 1 38 38 SER N N 15 116.6 . . 1 . . . . 168 SER N . 10012 1 440 . 1 1 39 39 GLY H H 1 8.529 . . 1 . . . . 169 GLY H . 10012 1 441 . 1 1 39 39 GLY HA2 H 1 4.031 . . 1 . . . . 169 GLY HA2 . 10012 1 442 . 1 1 39 39 GLY HA3 H 1 4.031 . . 1 . . . . 169 GLY HA3 . 10012 1 443 . 1 1 39 39 GLY C C 13 174.7 . . 1 . . . . 169 GLY CO . 10012 1 444 . 1 1 39 39 GLY CA C 13 45.67 . . 1 . . . . 169 GLY CA . 10012 1 445 . 1 1 39 39 GLY N N 15 11.09 . . 1 . . . . 169 GLY N . 10012 1 446 . 1 1 40 40 MET H H 1 8.264 . . 1 . . . . 170 MET H . 10012 1 447 . 1 1 40 40 MET HA H 1 4.472 . . 1 . . . . 170 MET HA . 10012 1 448 . 1 1 40 40 MET HB2 H 1 2.029 . . 2 . . . . 170 MET HB2 . 10012 1 449 . 1 1 40 40 MET HB3 H 1 2.13 . . 2 . . . . 170 MET HB3 . 10012 1 450 . 1 1 40 40 MET HG2 H 1 2.525 . . 2 . . . . 170 MET HG2 . 10012 1 451 . 1 1 40 40 MET HG3 H 1 2.621 . . 2 . . . . 170 MET HG3 . 10012 1 452 . 1 1 40 40 MET HE1 H 1 1.775 . . 1 . . . . 170 MET HE . 10012 1 453 . 1 1 40 40 MET HE2 H 1 1.775 . . 1 . . . . 170 MET HE . 10012 1 454 . 1 1 40 40 MET HE3 H 1 1.775 . . 1 . . . . 170 MET HE . 10012 1 455 . 1 1 40 40 MET C C 13 176.8 . . 1 . . . . 170 MET CO . 10012 1 456 . 1 1 40 40 MET CA C 13 55.91 . . 1 . . . . 170 MET CA . 10012 1 457 . 1 1 40 40 MET CB C 13 32.91 . . 1 . . . . 170 MET CB . 10012 1 458 . 1 1 40 40 MET CG C 13 32.2 . . 1 . . . . 170 MET CG . 10012 1 459 . 1 1 40 40 MET N N 15 119.7 . . 1 . . . . 170 MET N . 10012 1 460 . 1 1 41 41 GLU H H 1 8.612 . . 1 . . . . 171 GLU H . 10012 1 461 . 1 1 41 41 GLU HA H 1 4.246 . . 1 . . . . 171 GLU HA . 10012 1 462 . 1 1 41 41 GLU HB2 H 1 2.042 . . 1 . . . . 171 GLU HB2 . 10012 1 463 . 1 1 41 41 GLU HB3 H 1 2.042 . . 1 . . . . 171 GLU HB3 . 10012 1 464 . 1 1 41 41 GLU HG2 H 1 2.299 . . 1 . . . . 171 GLU HG2 . 10012 1 465 . 1 1 41 41 GLU HG3 H 1 2.299 . . 1 . . . . 171 GLU HG3 . 10012 1 466 . 1 1 41 41 GLU C C 13 177.3 . . 1 . . . . 171 GLU CO . 10012 1 467 . 1 1 41 41 GLU CA C 13 57.51 . . 1 . . . . 171 GLU CA . 10012 1 468 . 1 1 41 41 GLU CB C 13 29.99 . . 1 . . . . 171 GLU CB . 10012 1 469 . 1 1 41 41 GLU CG C 13 36.31 . . 1 . . . . 171 GLU CG . 10012 1 470 . 1 1 41 41 GLU N N 15 121.5 . . 1 . . . . 171 GLU N . 10012 1 471 . 1 1 42 42 GLY H H 1 8.434 . . 1 . . . . 172 GLY H . 10012 1 472 . 1 1 42 42 GLY HA2 H 1 3.954 . . 1 . . . . 172 GLY HA2 . 10012 1 473 . 1 1 42 42 GLY HA3 H 1 3.954 . . 1 . . . . 172 GLY HA3 . 10012 1 474 . 1 1 42 42 GLY C C 13 174.4 . . 1 . . . . 172 GLY CO . 10012 1 475 . 1 1 42 42 GLY CA C 13 45.64 . . 1 . . . . 172 GLY CA . 10012 1 476 . 1 1 42 42 GLY N N 15 109.5 . . 1 . . . . 172 GLY N . 10012 1 477 . 1 1 43 43 ARG H H 1 8.055 . . 1 . . . . 173 ARG H . 10012 1 478 . 1 1 43 43 ARG HA H 1 4.327 . . 1 . . . . 173 ARG HA . 10012 1 479 . 1 1 43 43 ARG HB2 H 1 1.811 . . 1 . . . . 173 ARG HB2 . 10012 1 480 . 1 1 43 43 ARG HB3 H 1 1.811 . . 1 . . . . 173 ARG HB3 . 10012 1 481 . 1 1 43 43 ARG HG2 H 1 1.655 . . 1 . . . . 173 ARG HG2 . 10012 1 482 . 1 1 43 43 ARG HG3 H 1 1.655 . . 1 . . . . 173 ARG HG3 . 10012 1 483 . 1 1 43 43 ARG HD2 H 1 3.206 . . 1 . . . . 173 ARG HD2 . 10012 1 484 . 1 1 43 43 ARG HD3 H 1 3.206 . . 1 . . . . 173 ARG HD3 . 10012 1 485 . 1 1 43 43 ARG HE H 1 3.028 . . 1 . . . . 173 ARG HE . 10012 1 486 . 1 1 43 43 ARG C C 13 176.6 . . 1 . . . . 173 ARG CO . 10012 1 487 . 1 1 43 43 ARG CA C 13 56.45 . . 1 . . . . 173 ARG CA . 10012 1 488 . 1 1 43 43 ARG CB C 13 30.88 . . 1 . . . . 173 ARG CB . 10012 1 489 . 1 1 43 43 ARG CG C 13 27.23 . . 1 . . . . 173 ARG CG . 10012 1 490 . 1 1 43 43 ARG CD C 13 43.47 . . 1 . . . . 173 ARG CD . 10012 1 491 . 1 1 43 43 ARG N N 15 120.5 . . 1 . . . . 173 ARG N . 10012 1 492 . 1 1 44 44 LYS H H 1 8.291 . . 1 . . . . 174 LYS H . 10012 1 493 . 1 1 44 44 LYS HA H 1 4.301 . . 1 . . . . 174 LYS HA . 10012 1 494 . 1 1 44 44 LYS HB2 H 1 1.814 . . 1 . . . . 174 LYS HB2 . 10012 1 495 . 1 1 44 44 LYS HB3 H 1 1.814 . . 1 . . . . 174 LYS HB3 . 10012 1 496 . 1 1 44 44 LYS HG2 H 1 1.443 . . 1 . . . . 174 LYS HG2 . 10012 1 497 . 1 1 44 44 LYS HG3 H 1 1.443 . . 1 . . . . 174 LYS HG3 . 10012 1 498 . 1 1 44 44 LYS HD2 H 1 1.713 . . 1 . . . . 174 LYS HD2 . 10012 1 499 . 1 1 44 44 LYS HD3 H 1 1.713 . . 1 . . . . 174 LYS HD3 . 10012 1 500 . 1 1 44 44 LYS HE2 H 1 2.999 . . 1 . . . . 174 LYS HE2 . 10012 1 501 . 1 1 44 44 LYS HE3 H 1 2.999 . . 1 . . . . 174 LYS HE3 . 10012 1 502 . 1 1 44 44 LYS C C 13 176.7 . . 1 . . . . 174 LYS CO . 10012 1 503 . 1 1 44 44 LYS CA C 13 56.66 . . 1 . . . . 174 LYS CA . 10012 1 504 . 1 1 44 44 LYS CB C 13 33.15 . . 1 . . . . 174 LYS CB . 10012 1 505 . 1 1 44 44 LYS CG C 13 24.88 . . 1 . . . . 174 LYS CG . 10012 1 506 . 1 1 44 44 LYS CD C 13 29.15 . . 1 . . . . 174 LYS CD . 10012 1 507 . 1 1 44 44 LYS CE C 13 42.25 . . 1 . . . . 174 LYS CE . 10012 1 508 . 1 1 44 44 LYS N N 15 122.3 . . 1 . . . . 174 LYS N . 10012 1 509 . 1 1 45 45 LYS H H 1 8.302 . . 1 . . . . 175 LYS H . 10012 1 510 . 1 1 45 45 LYS HA H 1 4.272 . . 1 . . . . 175 LYS HA . 10012 1 511 . 1 1 45 45 LYS HB2 H 1 1.752 . . 1 . . . . 175 LYS HB2 . 10012 1 512 . 1 1 45 45 LYS HB3 H 1 1.752 . . 1 . . . . 175 LYS HB3 . 10012 1 513 . 1 1 45 45 LYS HG2 H 1 1.427 . . 1 . . . . 175 LYS HG2 . 10012 1 514 . 1 1 45 45 LYS HG3 H 1 1.427 . . 1 . . . . 175 LYS HG3 . 10012 1 515 . 1 1 45 45 LYS HD2 H 1 1.681 . . 1 . . . . 175 LYS HD2 . 10012 1 516 . 1 1 45 45 LYS HD3 H 1 1.681 . . 1 . . . . 175 LYS HD3 . 10012 1 517 . 1 1 45 45 LYS C C 13 176.5 . . 1 . . . . 175 LYS CO . 10012 1 518 . 1 1 45 45 LYS CA C 13 56.6 . . 1 . . . . 175 LYS CA . 10012 1 519 . 1 1 45 45 LYS CB C 13 33.14 . . 1 . . . . 175 LYS CB . 10012 1 520 . 1 1 45 45 LYS CG C 13 24.8 . . 1 . . . . 175 LYS CG . 10012 1 521 . 1 1 45 45 LYS CD C 13 29.26 . . 1 . . . . 175 LYS CD . 10012 1 522 . 1 1 45 45 LYS CE C 13 42.28 . . 1 . . . . 175 LYS CE . 10012 1 523 . 1 1 45 45 LYS N N 15 122.4 . . 1 . . . . 175 LYS N . 10012 1 524 . 1 1 46 46 MET H H 1 8.31 . . 1 . . . . 176 MET H . 10012 1 525 . 1 1 46 46 MET HA H 1 4.383 . . 1 . . . . 176 MET HA . 10012 1 526 . 1 1 46 46 MET HB2 H 1 1.932 . . 1 . . . . 176 MET HB2 . 10012 1 527 . 1 1 46 46 MET HB3 H 1 1.932 . . 1 . . . . 176 MET HB3 . 10012 1 528 . 1 1 46 46 MET HG2 H 1 2.411 . . 2 . . . . 176 MET HG2 . 10012 1 529 . 1 1 46 46 MET HG3 H 1 2.488 . . 2 . . . . 176 MET HG3 . 10012 1 530 . 1 1 46 46 MET C C 13 175.9 . . 1 . . . . 176 MET CO . 10012 1 531 . 1 1 46 46 MET CA C 13 55.83 . . 1 . . . . 176 MET CA . 10012 1 532 . 1 1 46 46 MET CB C 13 33.07 . . 1 . . . . 176 MET CB . 10012 1 533 . 1 1 46 46 MET N N 15 121.3 . . 1 . . . . 176 MET N . 10012 1 534 . 1 1 47 47 PHE H H 1 8.195 . . 1 . . . . 177 PHE H . 10012 1 535 . 1 1 47 47 PHE HA H 1 4.632 . . 1 . . . . 177 PHE HA . 10012 1 536 . 1 1 47 47 PHE HB2 H 1 3.04 . . 2 . . . . 177 PHE HB2 . 10012 1 537 . 1 1 47 47 PHE HB3 H 1 3.171 . . 2 . . . . 177 PHE HB3 . 10012 1 538 . 1 1 47 47 PHE HD1 H 1 7.27 . . 1 . . . . 177 PHE HD1 . 10012 1 539 . 1 1 47 47 PHE HD2 H 1 7.317 . . 1 . . . . 177 PHE HD2 . 10012 1 540 . 1 1 47 47 PHE HE1 H 1 7.026 . . 1 . . . . 177 PHE HE1 . 10012 1 541 . 1 1 47 47 PHE HE2 H 1 6.915 . . 1 . . . . 177 PHE HE2 . 10012 1 542 . 1 1 47 47 PHE HZ H 1 7.84 . . 1 . . . . 177 PHE HZ . 10012 1 543 . 1 1 47 47 PHE C C 13 175.7 . . 1 . . . . 177 PHE CO . 10012 1 544 . 1 1 47 47 PHE CA C 13 57.76 . . 1 . . . . 177 PHE CA . 10012 1 545 . 1 1 47 47 PHE CB C 13 39.69 . . 1 . . . . 177 PHE CB . 10012 1 546 . 1 1 47 47 PHE N N 15 120.5 . . 1 . . . . 177 PHE N . 10012 1 547 . 1 1 48 48 GLU H H 1 8.346 . . 1 . . . . 178 GLU H . 10012 1 548 . 1 1 48 48 GLU HA H 1 4.269 . . 1 . . . . 178 GLU HA . 10012 1 549 . 1 1 48 48 GLU HB2 H 1 1.988 . . 2 . . . . 178 GLU HB2 . 10012 1 550 . 1 1 48 48 GLU HB3 H 1 2.068 . . 2 . . . . 178 GLU HB3 . 10012 1 551 . 1 1 48 48 GLU HG2 H 1 2.309 . . 2 . . . . 178 GLU HG2 . 10012 1 552 . 1 1 48 48 GLU HG3 H 1 2.238 . . 2 . . . . 178 GLU HG3 . 10012 1 553 . 1 1 48 48 GLU C C 13 175.9 . . 1 . . . . 178 GLU CO . 10012 1 554 . 1 1 48 48 GLU CA C 13 56.36 . . 1 . . . . 178 GLU CA . 10012 1 555 . 1 1 48 48 GLU CB C 13 30.63 . . 1 . . . . 178 GLU CB . 10012 1 556 . 1 1 48 48 GLU CG C 13 36.37 . . 1 . . . . 178 GLU CG . 10012 1 557 . 1 1 48 48 GLU N N 15 122.6 . . 1 . . . . 178 GLU N . 10012 1 558 . 1 1 49 49 ALA H H 1 8.339 . . 1 . . . . 179 ALA H . 10012 1 559 . 1 1 49 49 ALA HA H 1 4.301 . . 1 . . . . 179 ALA HA . 10012 1 560 . 1 1 49 49 ALA HB1 H 1 1.432 . . 1 . . . . 179 ALA HB . 10012 1 561 . 1 1 49 49 ALA HB2 H 1 1.432 . . 1 . . . . 179 ALA HB . 10012 1 562 . 1 1 49 49 ALA HB3 H 1 1.432 . . 1 . . . . 179 ALA HB . 10012 1 563 . 1 1 49 49 ALA C C 13 178.2 . . 1 . . . . 179 ALA CO . 10012 1 564 . 1 1 49 49 ALA CA C 13 52.86 . . 1 . . . . 179 ALA CA . 10012 1 565 . 1 1 49 49 ALA CB C 13 19.44 . . 1 . . . . 179 ALA CB . 10012 1 566 . 1 1 49 49 ALA N N 15 125 . . 1 . . . . 179 ALA N . 10012 1 567 . 1 1 50 50 GLY H H 1 8.366 . . 1 . . . . 180 GLY H . 10012 1 568 . 1 1 50 50 GLY HA2 H 1 3.992 . . 1 . . . . 180 GLY HA2 . 10012 1 569 . 1 1 50 50 GLY HA3 H 1 3.992 . . 1 . . . . 180 GLY HA3 . 10012 1 570 . 1 1 50 50 GLY C C 13 174.1 . . 1 . . . . 180 GLY CO . 10012 1 571 . 1 1 50 50 GLY CA C 13 45.35 . . 1 . . . . 180 GLY CA . 10012 1 572 . 1 1 50 50 GLY N N 15 108.2 . . 1 . . . . 180 GLY N . 10012 1 573 . 1 1 51 51 GLU H H 1 8.253 . . 1 . . . . 181 GLU H . 10012 1 574 . 1 1 51 51 GLU HA H 1 4.394 . . 1 . . . . 181 GLU HA . 10012 1 575 . 1 1 51 51 GLU C C 13 175.8 . . 1 . . . . 181 GLU CO . 10012 1 576 . 1 1 51 51 GLU CA C 13 56.54 . . 1 . . . . 181 GLU CA . 10012 1 577 . 1 1 51 51 GLU CB C 13 30.88 . . 1 . . . . 181 GLU CB . 10012 1 578 . 1 1 51 51 GLU CG C 13 36.39 . . 1 . . . . 181 GLU CG . 10012 1 579 . 1 1 51 51 GLU N N 15 120.8 . . 1 . . . . 181 GLU N . 10012 1 580 . 1 1 52 52 SER H H 1 8.024 . . 1 . . . . 182 SER H . 10012 1 581 . 1 1 52 52 SER HA H 1 4.251 . . 1 . . . . 182 SER HA . 10012 1 582 . 1 1 52 52 SER CA C 13 60.02 . . 1 . . . . 182 SER CA . 10012 1 583 . 1 1 52 52 SER CB C 13 64.92 . . 1 . . . . 182 SER CB . 10012 1 584 . 1 1 52 52 SER N N 15 122.2 . . 1 . . . . 182 SER N . 10012 1 stop_ save_