data_18187 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18187 _Entry.Title ; Solution structure of the Get5 carboxyl domain from A. fumigatus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-08 _Entry.Accession_date 2012-01-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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 Justin Chartron . W. . 18187 2 David VanderVelde . G. . 18187 3 Meera Rao . . . 18187 4 William Clemons . M. Jr. 18187 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' . 18187 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DIMER . 18187 GET . 18187 HOMODIMER . 18187 MDY2 . 18187 PROTEIN . 18187 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18187 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 18187 '15N chemical shifts' 75 18187 '1H chemical shifts' 436 18187 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 . . 2012-05-10 2012-01-23 update BMRB 'update entry citation' 18187 1 . . 2012-02-10 2012-01-23 original author 'original release' 18187 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18186 'Get5 carboxyl domain from S. cerevisiae' 18187 PDB 2lnz 'Solution structure of the S. cerevisiae homolog' 18187 PDB 2LO0 'BMRB Entry Tracking System' 18187 PDB 3VEJ 'Crystal structure of the S. cerevisiae homolog' 18187 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18187 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22262836 _Citation.Full_citation . _Citation.Title 'The Get5 carboxyl terminal domain is a novel dimerization motif that tethers an extended Get4/Get5 complex.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 11 _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 8310 _Citation.Page_last 8317 _Citation.Year 2012 _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 Justin Chartron . W. . 18187 1 2 David Vandervelde . G. . 18187 1 3 Meera Rao . . . 18187 1 4 William Clemons . M. Jr. 18187 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18187 _Assembly.ID 1 _Assembly.Name 'Get5 carboxyl domain from A. fumigatus' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'Get5, chain 1' 1 $Get5 A . yes native no no . . . 18187 1 2 'Get5, chain 2' 1 $Get5 B . no native no no . . . 18187 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Get5 _Entity.Sf_category entity _Entity.Sf_framecode Get5 _Entity.Entry_ID 18187 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Get5 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SVDVAVSAGAGERASAEQKE SYEPPKPAVGPSGESVVATE AFWDDLQGFLEQRLKDYDEA NKLRVLFKEAWRSSF ; _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'carboxyl domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5285.887 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2LO0 . "Solution Structure Of The Get5 Carboxyl Domain From A. Fumigatus" . . . . . 100.00 75 100.00 100.00 1.29e-44 . . . . 18187 1 2 no GB EAL86127 . "conserved hypothetical protein [Aspergillus fumigatus Af293]" . . . . . 96.00 272 100.00 100.00 1.88e-42 . . . . 18187 1 3 no GB EDP51028 . "conserved hypothetical protein [Aspergillus fumigatus A1163]" . . . . . 96.00 272 98.61 98.61 1.17e-41 . . . . 18187 1 4 no GB KEY82654 . "hypothetical protein BA78_6168 [Aspergillus fumigatus var. RP-2014]" . . . . . 96.00 272 98.61 98.61 1.09e-41 . . . . 18187 1 5 no GB KMK58944 . "hypothetical protein Y699_00145 [Aspergillus fumigatus Z5]" . . . . . 96.00 230 98.61 98.61 2.16e-41 . . . . 18187 1 6 no REF XP_748165 . "conserved hypothetical protein [Aspergillus fumigatus Af293]" . . . . . 96.00 272 100.00 100.00 1.88e-42 . . . . 18187 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 1 156 SER . 18187 1 2 157 VAL . 18187 1 3 158 ASP . 18187 1 4 159 VAL . 18187 1 5 160 ALA . 18187 1 6 161 VAL . 18187 1 7 162 SER . 18187 1 8 163 ALA . 18187 1 9 164 GLY . 18187 1 10 165 ALA . 18187 1 11 166 GLY . 18187 1 12 167 GLU . 18187 1 13 168 ARG . 18187 1 14 169 ALA . 18187 1 15 170 SER . 18187 1 16 171 ALA . 18187 1 17 172 GLU . 18187 1 18 173 GLN . 18187 1 19 174 LYS . 18187 1 20 175 GLU . 18187 1 21 176 SER . 18187 1 22 177 TYR . 18187 1 23 178 GLU . 18187 1 24 179 PRO . 18187 1 25 180 PRO . 18187 1 26 181 LYS . 18187 1 27 182 PRO . 18187 1 28 183 ALA . 18187 1 29 184 VAL . 18187 1 30 185 GLY . 18187 1 31 186 PRO . 18187 1 32 187 SER . 18187 1 33 188 GLY . 18187 1 34 189 GLU . 18187 1 35 190 SER . 18187 1 36 191 VAL . 18187 1 37 192 VAL . 18187 1 38 193 ALA . 18187 1 39 194 THR . 18187 1 40 195 GLU . 18187 1 41 196 ALA . 18187 1 42 197 PHE . 18187 1 43 198 TRP . 18187 1 44 199 ASP . 18187 1 45 200 ASP . 18187 1 46 201 LEU . 18187 1 47 202 GLN . 18187 1 48 203 GLY . 18187 1 49 204 PHE . 18187 1 50 205 LEU . 18187 1 51 206 GLU . 18187 1 52 207 GLN . 18187 1 53 208 ARG . 18187 1 54 209 LEU . 18187 1 55 210 LYS . 18187 1 56 211 ASP . 18187 1 57 212 TYR . 18187 1 58 213 ASP . 18187 1 59 214 GLU . 18187 1 60 215 ALA . 18187 1 61 216 ASN . 18187 1 62 217 LYS . 18187 1 63 218 LEU . 18187 1 64 219 ARG . 18187 1 65 220 VAL . 18187 1 66 221 LEU . 18187 1 67 222 PHE . 18187 1 68 223 LYS . 18187 1 69 224 GLU . 18187 1 70 225 ALA . 18187 1 71 226 TRP . 18187 1 72 227 ARG . 18187 1 73 228 SER . 18187 1 74 229 SER . 18187 1 75 230 PHE . 18187 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 . SER 1 1 18187 1 . VAL 2 2 18187 1 . ASP 3 3 18187 1 . VAL 4 4 18187 1 . ALA 5 5 18187 1 . VAL 6 6 18187 1 . SER 7 7 18187 1 . ALA 8 8 18187 1 . GLY 9 9 18187 1 . ALA 10 10 18187 1 . GLY 11 11 18187 1 . GLU 12 12 18187 1 . ARG 13 13 18187 1 . ALA 14 14 18187 1 . SER 15 15 18187 1 . ALA 16 16 18187 1 . GLU 17 17 18187 1 . GLN 18 18 18187 1 . LYS 19 19 18187 1 . GLU 20 20 18187 1 . SER 21 21 18187 1 . TYR 22 22 18187 1 . GLU 23 23 18187 1 . PRO 24 24 18187 1 . PRO 25 25 18187 1 . LYS 26 26 18187 1 . PRO 27 27 18187 1 . ALA 28 28 18187 1 . VAL 29 29 18187 1 . GLY 30 30 18187 1 . PRO 31 31 18187 1 . SER 32 32 18187 1 . GLY 33 33 18187 1 . GLU 34 34 18187 1 . SER 35 35 18187 1 . VAL 36 36 18187 1 . VAL 37 37 18187 1 . ALA 38 38 18187 1 . THR 39 39 18187 1 . GLU 40 40 18187 1 . ALA 41 41 18187 1 . PHE 42 42 18187 1 . TRP 43 43 18187 1 . ASP 44 44 18187 1 . ASP 45 45 18187 1 . LEU 46 46 18187 1 . GLN 47 47 18187 1 . GLY 48 48 18187 1 . PHE 49 49 18187 1 . LEU 50 50 18187 1 . GLU 51 51 18187 1 . GLN 52 52 18187 1 . ARG 53 53 18187 1 . LEU 54 54 18187 1 . LYS 55 55 18187 1 . ASP 56 56 18187 1 . TYR 57 57 18187 1 . ASP 58 58 18187 1 . GLU 59 59 18187 1 . ALA 60 60 18187 1 . ASN 61 61 18187 1 . LYS 62 62 18187 1 . LEU 63 63 18187 1 . ARG 64 64 18187 1 . VAL 65 65 18187 1 . LEU 66 66 18187 1 . PHE 67 67 18187 1 . LYS 68 68 18187 1 . GLU 69 69 18187 1 . ALA 70 70 18187 1 . TRP 71 71 18187 1 . ARG 72 72 18187 1 . SER 73 73 18187 1 . SER 74 74 18187 1 . PHE 75 75 18187 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 18187 _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 $Get5 . 746128 organism . 'Aspergillus fumigatus' 'Aspergillus fumigatus' . . Eukaryota Metazoa Aspergillus fumigatus . . . . . . . . . . . . . . . . . . . . . 18187 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 18187 _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 $Get5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-33b . . . . . . 18187 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18187 _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 Get5 '[U-100% 13C; U-100% 15N]' . . 1 $Get5 . . 3.5 . . mM . . . . 18187 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18187 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18187 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18187 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18187 1 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18187 _Sample.ID 2 _Sample.Type 'gel 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 Get5 '[U-100% 15N]' . . 1 $Get5 . . 2.5 . . mM . . . . 18187 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18187 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18187 2 4 polyacrylamide 'natural abundance' . . . . . . 5 . . % . . . . 18187 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18187 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18187 2 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18187 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 0.02% sodium azide, 0.1 mg/ml trimethylsilyl propanoic acid' _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 Get5 '[U-100% 15N]' . . 1 $Get5 . . 2.5 . . mM . . . . 18187 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18187 3 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18187 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18187 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18187 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18187 _Sample.ID 4 _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 Get5 'natural abundance' . . 1 $Get5 . . 4 . . mM . . . . 18187 4 2 Get5 '[U-100% 13C; U-100% 15N]' . . 1 $Get5 . . 2 . . mM . . . . 18187 4 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18187 4 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18187 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18187 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18187 4 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 18187 _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 18187 1 pH 6.1 . pH 18187 1 pressure 1 . atm 18187 1 temperature 298 . K 18187 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18187 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18187 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18187 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18187 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18187 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18187 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18187 _Software.ID 3 _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' . . 18187 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18187 3 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 18187 _Software.ID 4 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18187 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18187 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18187 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18187 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18187 5 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 18187 _Software.ID 6 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 18187 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18187 6 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18187 _Software.ID 7 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18187 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18187 7 stop_ save_ save_REDCAT _Software.Sf_category software _Software.Sf_framecode REDCAT _Software.Entry_ID 18187 _Software.ID 8 _Software.Name REDCAT _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Prestegard . . 18187 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18187 8 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18187 _Software.ID 9 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18187 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18187 9 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 18187 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18187 _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 . 600 . . . 18187 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 18187 _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 . . . . . . . . . . . . . . . . 18187 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 14 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 15 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 18 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 1 19 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18187 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 18187 _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 water protons . . . . ppm 4.773 internal indirect 0.2551449530 . . . . . . . . . 18187 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . . . . . 18187 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . . . . . 18187 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 18187 _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' . . . 18187 1 2 '3D CBCA(CO)NH' . . . 18187 1 3 '3D C(CO)NH' . . . 18187 1 4 '3D HNCO' . . . 18187 1 5 '3D HNCA' . . . 18187 1 6 '3D HNCACB' . . . 18187 1 7 '3D HN(CO)CA' . . . 18187 1 8 '3D HCCH-TOCSY' . . . 18187 1 9 '2D 1H-13C HSQC' . . . 18187 1 10 '2D 1H-13C HSQC aromatic' . . . 18187 1 11 '3D 1H-15N NOESY' . . . 18187 1 12 '3D 1H-13C NOESY' . . . 18187 1 13 '3D 1H-15N TOCSY' . . . 18187 1 14 '3D HBHA(CO)NH' . . . 18187 1 15 '3D H(CCO)NH' . . . 18187 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 4.212 0.004 . 1 . . . . 157 Val HA . 18187 1 2 . 1 1 2 2 VAL HB H 1 2.09 0.004 . 1 . . . . 157 Val HB . 18187 1 3 . 1 1 2 2 VAL HG21 H 1 0.95 0.004 . 1 . . . . 157 Val HG21 . 18187 1 4 . 1 1 2 2 VAL HG22 H 1 0.95 0.004 . 1 . . . . 157 Val HG22 . 18187 1 5 . 1 1 2 2 VAL HG23 H 1 0.95 0.004 . 1 . . . . 157 Val HG23 . 18187 1 6 . 1 1 2 2 VAL C C 13 175.51 0.002 . 1 . . . . 157 Val C . 18187 1 7 . 1 1 2 2 VAL CA C 13 62.256 0.046 . 1 . . . . 157 Val CA . 18187 1 8 . 1 1 2 2 VAL CB C 13 32.791 0.083 . 1 . . . . 157 Val CB . 18187 1 9 . 1 1 2 2 VAL CG1 C 13 21.106 0.05 . 2 . . . . 157 Val CG1 . 18187 1 10 . 1 1 2 2 VAL CG2 C 13 20.232 0.05 . 2 . . . . 157 Val CG2 . 18187 1 11 . 1 1 3 3 ASP H H 1 8.459 0.003 . 1 . . . . 158 Asp H . 18187 1 12 . 1 1 3 3 ASP HA H 1 4.65 0.006 . 1 . . . . 158 Asp HA . 18187 1 13 . 1 1 3 3 ASP HB2 H 1 2.699 0.006 . 2 . . . . 158 Asp HB2 . 18187 1 14 . 1 1 3 3 ASP HB3 H 1 2.553 0.019 . 2 . . . . 158 Asp HB3 . 18187 1 15 . 1 1 3 3 ASP C C 13 176.159 0.015 . 1 . . . . 158 Asp C . 18187 1 16 . 1 1 3 3 ASP CA C 13 54.338 0.044 . 1 . . . . 158 Asp CA . 18187 1 17 . 1 1 3 3 ASP CB C 13 41.364 0.012 . 1 . . . . 158 Asp CB . 18187 1 18 . 1 1 3 3 ASP N N 15 124.622 0.046 . 1 . . . . 158 Asp N . 18187 1 19 . 1 1 4 4 VAL H H 1 8.105 0.002 . 1 . . . . 159 Val H . 18187 1 20 . 1 1 4 4 VAL HA H 1 4.1 0.001 . 1 . . . . 159 Val HA . 18187 1 21 . 1 1 4 4 VAL HB H 1 2.104 0.011 . 1 . . . . 159 Val HB . 18187 1 22 . 1 1 4 4 VAL HG21 H 1 0.94 0.004 . 1 . . . . 159 Val HG21 . 18187 1 23 . 1 1 4 4 VAL HG22 H 1 0.94 0.004 . 1 . . . . 159 Val HG22 . 18187 1 24 . 1 1 4 4 VAL HG23 H 1 0.94 0.004 . 1 . . . . 159 Val HG23 . 18187 1 25 . 1 1 4 4 VAL C C 13 175.809 0.011 . 1 . . . . 159 Val C . 18187 1 26 . 1 1 4 4 VAL CA C 13 62.224 0.059 . 1 . . . . 159 Val CA . 18187 1 27 . 1 1 4 4 VAL CB C 13 32.793 0.018 . 1 . . . . 159 Val CB . 18187 1 28 . 1 1 4 4 VAL CG1 C 13 20.295 0.05 . 2 . . . . 159 Val CG1 . 18187 1 29 . 1 1 4 4 VAL CG2 C 13 21.157 0.05 . 2 . . . . 159 Val CG2 . 18187 1 30 . 1 1 4 4 VAL N N 15 120.675 0.06 . 1 . . . . 159 Val N . 18187 1 31 . 1 1 5 5 ALA H H 1 8.386 0.003 . 1 . . . . 160 Ala H . 18187 1 32 . 1 1 5 5 ALA HA H 1 4.345 0.008 . 1 . . . . 160 Ala HA . 18187 1 33 . 1 1 5 5 ALA HB1 H 1 1.384 0.004 . 1 . . . . 160 Ala HB1 . 18187 1 34 . 1 1 5 5 ALA HB2 H 1 1.384 0.004 . 1 . . . . 160 Ala HB2 . 18187 1 35 . 1 1 5 5 ALA HB3 H 1 1.384 0.004 . 1 . . . . 160 Ala HB3 . 18187 1 36 . 1 1 5 5 ALA C C 13 177.88 0.001 . 1 . . . . 160 Ala C . 18187 1 37 . 1 1 5 5 ALA CA C 13 52.553 0.048 . 1 . . . . 160 Ala CA . 18187 1 38 . 1 1 5 5 ALA CB C 13 19.206 0.022 . 1 . . . . 160 Ala CB . 18187 1 39 . 1 1 5 5 ALA N N 15 127.491 0.043 . 1 . . . . 160 Ala N . 18187 1 40 . 1 1 6 6 VAL H H 1 8.091 0.002 . 1 . . . . 161 Val H . 18187 1 41 . 1 1 6 6 VAL HA H 1 4.118 0.007 . 1 . . . . 161 Val HA . 18187 1 42 . 1 1 6 6 VAL HB H 1 2.103 0.004 . 1 . . . . 161 Val HB . 18187 1 43 . 1 1 6 6 VAL HG21 H 1 0.955 0.006 . 1 . . . . 161 Val HG21 . 18187 1 44 . 1 1 6 6 VAL HG22 H 1 0.955 0.006 . 1 . . . . 161 Val HG22 . 18187 1 45 . 1 1 6 6 VAL HG23 H 1 0.955 0.006 . 1 . . . . 161 Val HG23 . 18187 1 46 . 1 1 6 6 VAL C C 13 176.39 0.021 . 1 . . . . 161 Val C . 18187 1 47 . 1 1 6 6 VAL CA C 13 62.353 0.074 . 1 . . . . 161 Val CA . 18187 1 48 . 1 1 6 6 VAL CB C 13 32.851 0.018 . 1 . . . . 161 Val CB . 18187 1 49 . 1 1 6 6 VAL CG1 C 13 21.184 0.05 . 2 . . . . 161 Val CG1 . 18187 1 50 . 1 1 6 6 VAL CG2 C 13 20.407 0.05 . 2 . . . . 161 Val CG2 . 18187 1 51 . 1 1 6 6 VAL N N 15 119.395 0.057 . 1 . . . . 161 Val N . 18187 1 52 . 1 1 7 7 SER H H 1 8.328 0.002 . 1 . . . . 162 Ser H . 18187 1 53 . 1 1 7 7 SER HA H 1 4.44 0.002 . 1 . . . . 162 Ser HA . 18187 1 54 . 1 1 7 7 SER HB3 H 1 3.866 0.002 . 1 . . . . 162 Ser HB3 . 18187 1 55 . 1 1 7 7 SER C C 13 174.399 0.002 . 1 . . . . 162 Ser C . 18187 1 56 . 1 1 7 7 SER CA C 13 58.202 0.091 . 1 . . . . 162 Ser CA . 18187 1 57 . 1 1 7 7 SER CB C 13 63.827 0.068 . 1 . . . . 162 Ser CB . 18187 1 58 . 1 1 7 7 SER N N 15 119.208 0.048 . 1 . . . . 162 Ser N . 18187 1 59 . 1 1 8 8 ALA H H 1 8.391 0.002 . 1 . . . . 163 Ala H . 18187 1 60 . 1 1 8 8 ALA HA H 1 4.35 0.006 . 1 . . . . 163 Ala HA . 18187 1 61 . 1 1 8 8 ALA HB1 H 1 1.405 0.001 . 1 . . . . 163 Ala HB1 . 18187 1 62 . 1 1 8 8 ALA HB2 H 1 1.405 0.001 . 1 . . . . 163 Ala HB2 . 18187 1 63 . 1 1 8 8 ALA HB3 H 1 1.405 0.001 . 1 . . . . 163 Ala HB3 . 18187 1 64 . 1 1 8 8 ALA C C 13 178.257 0.002 . 1 . . . . 163 Ala C . 18187 1 65 . 1 1 8 8 ALA CA C 13 52.811 0.07 . 1 . . . . 163 Ala CA . 18187 1 66 . 1 1 8 8 ALA CB C 13 19.242 0.032 . 1 . . . . 163 Ala CB . 18187 1 67 . 1 1 8 8 ALA N N 15 126.394 0.063 . 1 . . . . 163 Ala N . 18187 1 68 . 1 1 9 9 GLY H H 1 8.388 0.002 . 1 . . . . 164 Gly H . 18187 1 69 . 1 1 9 9 GLY HA3 H 1 3.947 0.01 . 1 . . . . 164 Gly HA3 . 18187 1 70 . 1 1 9 9 GLY C C 13 174.142 0.009 . 1 . . . . 164 Gly C . 18187 1 71 . 1 1 9 9 GLY CA C 13 45.363 0.027 . 1 . . . . 164 Gly CA . 18187 1 72 . 1 1 9 9 GLY N N 15 108.263 0.044 . 1 . . . . 164 Gly N . 18187 1 73 . 1 1 10 10 ALA H H 1 8.225 0.004 . 1 . . . . 165 Ala H . 18187 1 74 . 1 1 10 10 ALA HA H 1 4.326 0.005 . 1 . . . . 165 Ala HA . 18187 1 75 . 1 1 10 10 ALA HB1 H 1 1.404 0.005 . 1 . . . . 165 Ala HB1 . 18187 1 76 . 1 1 10 10 ALA HB2 H 1 1.404 0.005 . 1 . . . . 165 Ala HB2 . 18187 1 77 . 1 1 10 10 ALA HB3 H 1 1.404 0.005 . 1 . . . . 165 Ala HB3 . 18187 1 78 . 1 1 10 10 ALA C C 13 178.468 0.003 . 1 . . . . 165 Ala C . 18187 1 79 . 1 1 10 10 ALA CA C 13 52.876 0.06 . 1 . . . . 165 Ala CA . 18187 1 80 . 1 1 10 10 ALA CB C 13 19.265 0.032 . 1 . . . . 165 Ala CB . 18187 1 81 . 1 1 10 10 ALA N N 15 123.793 0.062 . 1 . . . . 165 Ala N . 18187 1 82 . 1 1 11 11 GLY H H 1 8.431 0.003 . 1 . . . . 166 Gly H . 18187 1 83 . 1 1 11 11 GLY HA3 H 1 3.918 0.003 . 1 . . . . 166 Gly HA3 . 18187 1 84 . 1 1 11 11 GLY C C 13 174.235 0.05 . 1 . . . . 166 Gly C . 18187 1 85 . 1 1 11 11 GLY CA C 13 45.828 0.035 . 1 . . . . 166 Gly CA . 18187 1 86 . 1 1 11 11 GLY N N 15 108.116 0.11 . 1 . . . . 166 Gly N . 18187 1 87 . 1 1 12 12 GLU H H 1 8.433 0.003 . 1 . . . . 167 Glu H . 18187 1 88 . 1 1 12 12 GLU HA H 1 4.268 0.007 . 1 . . . . 167 Glu HA . 18187 1 89 . 1 1 12 12 GLU C C 13 176.785 0.015 . 1 . . . . 167 Glu C . 18187 1 90 . 1 1 12 12 GLU CA C 13 56.85 0.083 . 1 . . . . 167 Glu CA . 18187 1 91 . 1 1 12 12 GLU CB C 13 30.31 0.063 . 1 . . . . 167 Glu CB . 18187 1 92 . 1 1 12 12 GLU CG C 13 36.296 0.05 . 1 . . . . 167 Glu CG . 18187 1 93 . 1 1 12 12 GLU N N 15 120.703 0.052 . 1 . . . . 167 Glu N . 18187 1 94 . 1 1 13 13 ARG H H 1 8.367 0.002 . 1 . . . . 168 Arg H . 18187 1 95 . 1 1 13 13 ARG HA H 1 4.329 0.004 . 1 . . . . 168 Arg HA . 18187 1 96 . 1 1 13 13 ARG HB3 H 1 1.874 0.004 . 1 . . . . 168 Arg HB3 . 18187 1 97 . 1 1 13 13 ARG HG3 H 1 1.653 0.004 . 1 . . . . 168 Arg HG3 . 18187 1 98 . 1 1 13 13 ARG HD3 H 1 3.201 0.006 . 1 . . . . 168 Arg HD3 . 18187 1 99 . 1 1 13 13 ARG C C 13 176.189 0.008 . 1 . . . . 168 Arg C . 18187 1 100 . 1 1 13 13 ARG CA C 13 56.158 0.05 . 1 . . . . 168 Arg CA . 18187 1 101 . 1 1 13 13 ARG CB C 13 30.754 0.005 . 1 . . . . 168 Arg CB . 18187 1 102 . 1 1 13 13 ARG CG C 13 27.042 0.05 . 1 . . . . 168 Arg CG . 18187 1 103 . 1 1 13 13 ARG CD C 13 43.369 0.088 . 1 . . . . 168 Arg CD . 18187 1 104 . 1 1 13 13 ARG N N 15 121.815 0.032 . 1 . . . . 168 Arg N . 18187 1 105 . 1 1 14 14 ALA H H 1 8.333 0.002 . 1 . . . . 169 Ala H . 18187 1 106 . 1 1 14 14 ALA HA H 1 4.33 0.003 . 1 . . . . 169 Ala HA . 18187 1 107 . 1 1 14 14 ALA HB1 H 1 1.402 0.005 . 1 . . . . 169 Ala HB1 . 18187 1 108 . 1 1 14 14 ALA HB2 H 1 1.402 0.005 . 1 . . . . 169 Ala HB2 . 18187 1 109 . 1 1 14 14 ALA HB3 H 1 1.402 0.005 . 1 . . . . 169 Ala HB3 . 18187 1 110 . 1 1 14 14 ALA C C 13 177.994 0.005 . 1 . . . . 169 Ala C . 18187 1 111 . 1 1 14 14 ALA CA C 13 52.753 0.069 . 1 . . . . 169 Ala CA . 18187 1 112 . 1 1 14 14 ALA CB C 13 19.23 0.029 . 1 . . . . 169 Ala CB . 18187 1 113 . 1 1 14 14 ALA N N 15 125.167 0.043 . 1 . . . . 169 Ala N . 18187 1 114 . 1 1 15 15 SER H H 1 8.277 0.002 . 1 . . . . 170 Ser H . 18187 1 115 . 1 1 15 15 SER HA H 1 4.409 0.005 . 1 . . . . 170 Ser HA . 18187 1 116 . 1 1 15 15 SER HB3 H 1 3.892 0.004 . 1 . . . . 170 Ser HB3 . 18187 1 117 . 1 1 15 15 SER C C 13 174.64 0.002 . 1 . . . . 170 Ser C . 18187 1 118 . 1 1 15 15 SER CA C 13 58.441 0.07 . 1 . . . . 170 Ser CA . 18187 1 119 . 1 1 15 15 SER CB C 13 63.823 0.054 . 1 . . . . 170 Ser CB . 18187 1 120 . 1 1 15 15 SER N N 15 115.108 0.052 . 1 . . . . 170 Ser N . 18187 1 121 . 1 1 16 16 ALA H H 1 8.343 0.002 . 1 . . . . 171 Ala H . 18187 1 122 . 1 1 16 16 ALA HA H 1 4.328 0.001 . 1 . . . . 171 Ala HA . 18187 1 123 . 1 1 16 16 ALA HB1 H 1 1.406 0.005 . 1 . . . . 171 Ala HB1 . 18187 1 124 . 1 1 16 16 ALA HB2 H 1 1.406 0.005 . 1 . . . . 171 Ala HB2 . 18187 1 125 . 1 1 16 16 ALA HB3 H 1 1.406 0.005 . 1 . . . . 171 Ala HB3 . 18187 1 126 . 1 1 16 16 ALA C C 13 177.861 0.004 . 1 . . . . 171 Ala C . 18187 1 127 . 1 1 16 16 ALA CA C 13 52.844 0.057 . 1 . . . . 171 Ala CA . 18187 1 128 . 1 1 16 16 ALA CB C 13 19.235 0.044 . 1 . . . . 171 Ala CB . 18187 1 129 . 1 1 16 16 ALA N N 15 125.701 0.027 . 1 . . . . 171 Ala N . 18187 1 130 . 1 1 17 17 GLU H H 1 8.304 0.002 . 1 . . . . 172 Glu H . 18187 1 131 . 1 1 17 17 GLU HA H 1 4.226 0.007 . 1 . . . . 172 Glu HA . 18187 1 132 . 1 1 17 17 GLU HB2 H 1 2.042 0.004 . 2 . . . . 172 Glu HB2 . 18187 1 133 . 1 1 17 17 GLU HB3 H 1 1.939 0.004 . 2 . . . . 172 Glu HB3 . 18187 1 134 . 1 1 17 17 GLU HG3 H 1 2.257 0.012 . 1 . . . . 172 Glu HG3 . 18187 1 135 . 1 1 17 17 GLU C C 13 176.537 0.021 . 1 . . . . 172 Glu C . 18187 1 136 . 1 1 17 17 GLU CA C 13 56.818 0.034 . 1 . . . . 172 Glu CA . 18187 1 137 . 1 1 17 17 GLU CB C 13 30.238 0.014 . 1 . . . . 172 Glu CB . 18187 1 138 . 1 1 17 17 GLU CG C 13 36.344 0.038 . 1 . . . . 172 Glu CG . 18187 1 139 . 1 1 17 17 GLU N N 15 119.404 0.046 . 1 . . . . 172 Glu N . 18187 1 140 . 1 1 18 18 GLN H H 1 8.305 0.002 . 1 . . . . 173 Gln H . 18187 1 141 . 1 1 18 18 GLN HA H 1 4.337 0.004 . 1 . . . . 173 Gln HA . 18187 1 142 . 1 1 18 18 GLN HB2 H 1 2.016 0.004 . 2 . . . . 173 Gln HB2 . 18187 1 143 . 1 1 18 18 GLN HB3 H 1 2.117 0.004 . 2 . . . . 173 Gln HB3 . 18187 1 144 . 1 1 18 18 GLN HG3 H 1 2.366 0.004 . 1 . . . . 173 Gln HG3 . 18187 1 145 . 1 1 18 18 GLN HE21 H 1 7.541 0.004 . 1 . . . . 173 Gln HE21 . 18187 1 146 . 1 1 18 18 GLN HE22 H 1 6.842 0.004 . 1 . . . . 173 Gln HE22 . 18187 1 147 . 1 1 18 18 GLN C C 13 175.869 0.004 . 1 . . . . 173 Gln C . 18187 1 148 . 1 1 18 18 GLN CA C 13 55.809 0.07 . 1 . . . . 173 Gln CA . 18187 1 149 . 1 1 18 18 GLN CB C 13 29.318 0.012 . 1 . . . . 173 Gln CB . 18187 1 150 . 1 1 18 18 GLN CG C 13 33.825 0.024 . 1 . . . . 173 Gln CG . 18187 1 151 . 1 1 18 18 GLN N N 15 121.529 0.036 . 1 . . . . 173 Gln N . 18187 1 152 . 1 1 18 18 GLN NE2 N 15 112.402 0.001 . 1 . . . . 173 Gln NE2 . 18187 1 153 . 1 1 19 19 LYS H H 1 8.329 0.001 . 1 . . . . 174 Lys H . 18187 1 154 . 1 1 19 19 LYS HA H 1 4.322 0.006 . 1 . . . . 174 Lys HA . 18187 1 155 . 1 1 19 19 LYS HB2 H 1 1.845 0.015 . 2 . . . . 174 Lys HB2 . 18187 1 156 . 1 1 19 19 LYS HB3 H 1 1.762 0.007 . 2 . . . . 174 Lys HB3 . 18187 1 157 . 1 1 19 19 LYS HG3 H 1 1.441 0.012 . 1 . . . . 174 Lys HG3 . 18187 1 158 . 1 1 19 19 LYS HE3 H 1 2.998 0.001 . 1 . . . . 174 Lys HE3 . 18187 1 159 . 1 1 19 19 LYS C C 13 176.613 0.008 . 1 . . . . 174 Lys C . 18187 1 160 . 1 1 19 19 LYS CA C 13 56.386 0.071 . 1 . . . . 174 Lys CA . 18187 1 161 . 1 1 19 19 LYS CB C 13 33.265 0.052 . 1 . . . . 174 Lys CB . 18187 1 162 . 1 1 19 19 LYS CG C 13 24.639 0.028 . 1 . . . . 174 Lys CG . 18187 1 163 . 1 1 19 19 LYS CD C 13 28.935 0.05 . 1 . . . . 174 Lys CD . 18187 1 164 . 1 1 19 19 LYS CE C 13 42.213 0.05 . 1 . . . . 174 Lys CE . 18187 1 165 . 1 1 19 19 LYS N N 15 122.956 0.046 . 1 . . . . 174 Lys N . 18187 1 166 . 1 1 20 20 GLU H H 1 8.514 0.003 . 1 . . . . 175 Glu H . 18187 1 167 . 1 1 20 20 GLU HA H 1 4.284 0.008 . 1 . . . . 175 Glu HA . 18187 1 168 . 1 1 20 20 GLU HB2 H 1 2.049 0.004 . 2 . . . . 175 Glu HB2 . 18187 1 169 . 1 1 20 20 GLU HB3 H 1 1.951 0.004 . 2 . . . . 175 Glu HB3 . 18187 1 170 . 1 1 20 20 GLU HG3 H 1 2.275 0.004 . 1 . . . . 175 Glu HG3 . 18187 1 171 . 1 1 20 20 GLU C C 13 176.365 0.005 . 1 . . . . 175 Glu C . 18187 1 172 . 1 1 20 20 GLU CA C 13 56.789 0.122 . 1 . . . . 175 Glu CA . 18187 1 173 . 1 1 20 20 GLU CB C 13 30.252 0.004 . 1 . . . . 175 Glu CB . 18187 1 174 . 1 1 20 20 GLU CG C 13 36.269 0.05 . 1 . . . . 175 Glu CG . 18187 1 175 . 1 1 20 20 GLU N N 15 121.874 0.042 . 1 . . . . 175 Glu N . 18187 1 176 . 1 1 21 21 SER H H 1 8.278 0.002 . 1 . . . . 176 Ser H . 18187 1 177 . 1 1 21 21 SER HA H 1 4.427 0.003 . 1 . . . . 176 Ser HA . 18187 1 178 . 1 1 21 21 SER HB3 H 1 3.827 0.002 . 1 . . . . 176 Ser HB3 . 18187 1 179 . 1 1 21 21 SER C C 13 173.851 0.005 . 1 . . . . 176 Ser C . 18187 1 180 . 1 1 21 21 SER CA C 13 58.104 0.039 . 1 . . . . 176 Ser CA . 18187 1 181 . 1 1 21 21 SER CB C 13 63.884 0.076 . 1 . . . . 176 Ser CB . 18187 1 182 . 1 1 21 21 SER N N 15 116.411 0.049 . 1 . . . . 176 Ser N . 18187 1 183 . 1 1 22 22 TYR H H 1 8.216 0.002 . 1 . . . . 177 Tyr H . 18187 1 184 . 1 1 22 22 TYR HA H 1 4.587 0.006 . 1 . . . . 177 Tyr HA . 18187 1 185 . 1 1 22 22 TYR HB2 H 1 3.109 0.004 . 2 . . . . 177 Tyr HB2 . 18187 1 186 . 1 1 22 22 TYR HB3 H 1 2.98 0.005 . 2 . . . . 177 Tyr HB3 . 18187 1 187 . 1 1 22 22 TYR HD1 H 1 7.101 0.004 . 3 . . . . 177 Tyr HD1 . 18187 1 188 . 1 1 22 22 TYR HD2 H 1 7.101 0.004 . 3 . . . . 177 Tyr HD2 . 18187 1 189 . 1 1 22 22 TYR HE1 H 1 6.794 0.004 . 3 . . . . 177 Tyr HE1 . 18187 1 190 . 1 1 22 22 TYR HE2 H 1 6.794 0.004 . 3 . . . . 177 Tyr HE2 . 18187 1 191 . 1 1 22 22 TYR C C 13 174.979 0.003 . 1 . . . . 177 Tyr C . 18187 1 192 . 1 1 22 22 TYR CA C 13 57.802 0.075 . 1 . . . . 177 Tyr CA . 18187 1 193 . 1 1 22 22 TYR CB C 13 39.068 0.045 . 1 . . . . 177 Tyr CB . 18187 1 194 . 1 1 22 22 TYR CD1 C 13 133.253 0.05 . 3 . . . . 177 Tyr CD1 . 18187 1 195 . 1 1 22 22 TYR CD2 C 13 133.253 0.05 . 3 . . . . 177 Tyr CD2 . 18187 1 196 . 1 1 22 22 TYR CE1 C 13 118.129 0.05 . 3 . . . . 177 Tyr CE1 . 18187 1 197 . 1 1 22 22 TYR CE2 C 13 118.129 0.05 . 3 . . . . 177 Tyr CE2 . 18187 1 198 . 1 1 22 22 TYR N N 15 122.709 0.064 . 1 . . . . 177 Tyr N . 18187 1 199 . 1 1 23 23 GLU H H 1 8.047 0.002 . 1 . . . . 178 Glu H . 18187 1 200 . 1 1 23 23 GLU HA H 1 4.572 0.004 . 1 . . . . 178 Glu HA . 18187 1 201 . 1 1 23 23 GLU HB2 H 1 1.917 0.011 . 2 . . . . 178 Glu HB2 . 18187 1 202 . 1 1 23 23 GLU HB3 H 1 1.8 0.007 . 2 . . . . 178 Glu HB3 . 18187 1 203 . 1 1 23 23 GLU HG3 H 1 2.204 0.004 . 1 . . . . 178 Glu HG3 . 18187 1 204 . 1 1 23 23 GLU C C 13 173.149 0.05 . 1 . . . . 178 Glu C . 18187 1 205 . 1 1 23 23 GLU CA C 13 53.428 0.07 . 1 . . . . 178 Glu CA . 18187 1 206 . 1 1 23 23 GLU CB C 13 30.551 0.05 . 1 . . . . 178 Glu CB . 18187 1 207 . 1 1 23 23 GLU N N 15 125.637 0.055 . 1 . . . . 178 Glu N . 18187 1 208 . 1 1 24 24 PRO HA H 1 4.594 0.003 . 1 . . . . 179 Pro HA . 18187 1 209 . 1 1 24 24 PRO HB2 H 1 2.377 0.001 . 2 . . . . 179 Pro HB2 . 18187 1 210 . 1 1 24 24 PRO HB3 H 1 1.917 0.004 . 2 . . . . 179 Pro HB3 . 18187 1 211 . 1 1 24 24 PRO HG3 H 1 2.039 0.004 . 1 . . . . 179 Pro HG3 . 18187 1 212 . 1 1 24 24 PRO HD2 H 1 3.65 0.004 . 2 . . . . 179 Pro HD2 . 18187 1 213 . 1 1 24 24 PRO HD3 H 1 3.684 0.004 . 2 . . . . 179 Pro HD3 . 18187 1 214 . 1 1 24 24 PRO CA C 13 61.315 0.025 . 1 . . . . 179 Pro CA . 18187 1 215 . 1 1 24 24 PRO CB C 13 30.82 0.05 . 1 . . . . 179 Pro CB . 18187 1 216 . 1 1 24 24 PRO CG C 13 27.236 0.05 . 1 . . . . 179 Pro CG . 18187 1 217 . 1 1 24 24 PRO CD C 13 50.666 0.05 . 1 . . . . 179 Pro CD . 18187 1 218 . 1 1 25 25 PRO HA H 1 4.413 0.006 . 1 . . . . 180 Pro HA . 18187 1 219 . 1 1 25 25 PRO HB2 H 1 2.301 0.004 . 2 . . . . 180 Pro HB2 . 18187 1 220 . 1 1 25 25 PRO HB3 H 1 1.885 0.014 . 2 . . . . 180 Pro HB3 . 18187 1 221 . 1 1 25 25 PRO HG3 H 1 2.043 0.001 . 1 . . . . 180 Pro HG3 . 18187 1 222 . 1 1 25 25 PRO HD2 H 1 3.843 0.005 . 2 . . . . 180 Pro HD2 . 18187 1 223 . 1 1 25 25 PRO HD3 H 1 3.651 0.004 . 2 . . . . 180 Pro HD3 . 18187 1 224 . 1 1 25 25 PRO C C 13 176.659 0.001 . 1 . . . . 180 Pro C . 18187 1 225 . 1 1 25 25 PRO CA C 13 62.841 0.085 . 1 . . . . 180 Pro CA . 18187 1 226 . 1 1 25 25 PRO CB C 13 32.155 0.05 . 1 . . . . 180 Pro CB . 18187 1 227 . 1 1 25 25 PRO CG C 13 27.334 0.012 . 1 . . . . 180 Pro CG . 18187 1 228 . 1 1 25 25 PRO CD C 13 50.567 0.058 . 1 . . . . 180 Pro CD . 18187 1 229 . 1 1 26 26 LYS H H 1 8.407 0.003 . 1 . . . . 181 Lys H . 18187 1 230 . 1 1 26 26 LYS HA H 1 4.595 0.001 . 1 . . . . 181 Lys HA . 18187 1 231 . 1 1 26 26 LYS HB2 H 1 1.714 0.012 . 2 . . . . 181 Lys HB2 . 18187 1 232 . 1 1 26 26 LYS HB3 H 1 1.844 0.009 . 2 . . . . 181 Lys HB3 . 18187 1 233 . 1 1 26 26 LYS HG2 H 1 1.527 0.004 . 2 . . . . 181 Lys HG2 . 18187 1 234 . 1 1 26 26 LYS HG3 H 1 1.496 0.004 . 2 . . . . 181 Lys HG3 . 18187 1 235 . 1 1 26 26 LYS HD3 H 1 1.713 0.004 . 1 . . . . 181 Lys HD3 . 18187 1 236 . 1 1 26 26 LYS HE3 H 1 3.016 0.005 . 1 . . . . 181 Lys HE3 . 18187 1 237 . 1 1 26 26 LYS C C 13 174.66 0.05 . 1 . . . . 181 Lys C . 18187 1 238 . 1 1 26 26 LYS CA C 13 54.117 0.048 . 1 . . . . 181 Lys CA . 18187 1 239 . 1 1 26 26 LYS CB C 13 32.372 0.031 . 1 . . . . 181 Lys CB . 18187 1 240 . 1 1 26 26 LYS CG C 13 24.601 0.05 . 1 . . . . 181 Lys CG . 18187 1 241 . 1 1 26 26 LYS CD C 13 29.077 0.05 . 1 . . . . 181 Lys CD . 18187 1 242 . 1 1 26 26 LYS CE C 13 42.181 0.05 . 1 . . . . 181 Lys CE . 18187 1 243 . 1 1 26 26 LYS N N 15 122.926 0.053 . 1 . . . . 181 Lys N . 18187 1 244 . 1 1 27 27 PRO HA H 1 4.41 0.004 . 1 . . . . 182 Pro HA . 18187 1 245 . 1 1 27 27 PRO HB2 H 1 2.306 0.002 . 2 . . . . 182 Pro HB2 . 18187 1 246 . 1 1 27 27 PRO HB3 H 1 1.902 0.003 . 2 . . . . 182 Pro HB3 . 18187 1 247 . 1 1 27 27 PRO HD3 H 1 3.841 0.004 . 1 . . . . 182 Pro HD3 . 18187 1 248 . 1 1 27 27 PRO C C 13 176.489 0.004 . 1 . . . . 182 Pro C . 18187 1 249 . 1 1 27 27 PRO CA C 13 62.97 0.05 . 1 . . . . 182 Pro CA . 18187 1 250 . 1 1 27 27 PRO CB C 13 32.138 0.056 . 1 . . . . 182 Pro CB . 18187 1 251 . 1 1 27 27 PRO CD C 13 50.582 0.05 . 1 . . . . 182 Pro CD . 18187 1 252 . 1 1 28 28 ALA H H 1 8.438 0.003 . 1 . . . . 183 Ala H . 18187 1 253 . 1 1 28 28 ALA HA H 1 4.349 0.003 . 1 . . . . 183 Ala HA . 18187 1 254 . 1 1 28 28 ALA HB1 H 1 1.396 0.001 . 1 . . . . 183 Ala HB1 . 18187 1 255 . 1 1 28 28 ALA HB2 H 1 1.396 0.001 . 1 . . . . 183 Ala HB2 . 18187 1 256 . 1 1 28 28 ALA HB3 H 1 1.396 0.001 . 1 . . . . 183 Ala HB3 . 18187 1 257 . 1 1 28 28 ALA C C 13 177.674 0.015 . 1 . . . . 183 Ala C . 18187 1 258 . 1 1 28 28 ALA CA C 13 52.387 0.075 . 1 . . . . 183 Ala CA . 18187 1 259 . 1 1 28 28 ALA CB C 13 19.234 0.022 . 1 . . . . 183 Ala CB . 18187 1 260 . 1 1 28 28 ALA N N 15 124.907 0.046 . 1 . . . . 183 Ala N . 18187 1 261 . 1 1 29 29 VAL H H 1 8.12 0.002 . 1 . . . . 184 Val H . 18187 1 262 . 1 1 29 29 VAL HA H 1 4.216 0.001 . 1 . . . . 184 Val HA . 18187 1 263 . 1 1 29 29 VAL HB H 1 2.095 0.004 . 1 . . . . 184 Val HB . 18187 1 264 . 1 1 29 29 VAL HG21 H 1 0.956 0.004 . 1 . . . . 184 Val HG21 . 18187 1 265 . 1 1 29 29 VAL HG22 H 1 0.956 0.004 . 1 . . . . 184 Val HG22 . 18187 1 266 . 1 1 29 29 VAL HG23 H 1 0.956 0.004 . 1 . . . . 184 Val HG23 . 18187 1 267 . 1 1 29 29 VAL C C 13 176.291 0.046 . 1 . . . . 184 Val C . 18187 1 268 . 1 1 29 29 VAL CA C 13 61.935 0.028 . 1 . . . . 184 Val CA . 18187 1 269 . 1 1 29 29 VAL CB C 13 33.222 0.034 . 1 . . . . 184 Val CB . 18187 1 270 . 1 1 29 29 VAL CG2 C 13 21.158 0.037 . 1 . . . . 184 Val CG2 . 18187 1 271 . 1 1 29 29 VAL N N 15 118.963 0.068 . 1 . . . . 184 Val N . 18187 1 272 . 1 1 30 30 GLY H H 1 8.334 0.002 . 1 . . . . 185 Gly H . 18187 1 273 . 1 1 30 30 GLY HA2 H 1 4.169 0.007 . 2 . . . . 185 Gly HA2 . 18187 1 274 . 1 1 30 30 GLY HA3 H 1 4.012 0.009 . 2 . . . . 185 Gly HA3 . 18187 1 275 . 1 1 30 30 GLY C C 13 176.715 0.05 . 1 . . . . 185 Gly C . 18187 1 276 . 1 1 30 30 GLY CA C 13 44.5 0.04 . 1 . . . . 185 Gly CA . 18187 1 277 . 1 1 30 30 GLY N N 15 112.379 0.057 . 1 . . . . 185 Gly N . 18187 1 278 . 1 1 31 31 PRO HA H 1 4.454 0.005 . 1 . . . A 186 PRO HA . 18187 1 279 . 1 1 31 31 PRO HB2 H 1 2.286 0.008 . 2 . . . A 186 PRO HB2 . 18187 1 280 . 1 1 31 31 PRO HB3 H 1 1.967 0.004 . 2 . . . A 186 PRO HB3 . 18187 1 281 . 1 1 31 31 PRO HG3 H 1 2.006 0.004 . 1 . . . A 186 PRO HG3 . 18187 1 282 . 1 1 31 31 PRO HD2 H 1 3.62 0.004 . 2 . . . A 186 PRO HD2 . 18187 1 283 . 1 1 31 31 PRO HD3 H 1 3.581 0.004 . 2 . . . A 186 PRO HD3 . 18187 1 284 . 1 1 31 31 PRO C C 13 177.315 0.05 . 1 . . . A 186 PRO C . 18187 1 285 . 1 1 31 31 PRO CA C 13 63.318 0.044 . 1 . . . A 186 PRO CA . 18187 1 286 . 1 1 31 31 PRO CB C 13 32.178 0.04 . 1 . . . A 186 PRO CB . 18187 1 287 . 1 1 31 31 PRO CG C 13 27.167 0.05 . 1 . . . A 186 PRO CG . 18187 1 288 . 1 1 31 31 PRO CD C 13 49.771 0.05 . 1 . . . A 186 PRO CD . 18187 1 289 . 1 1 32 32 SER H H 1 8.547 0.002 . 1 . . . A 187 SER H . 18187 1 290 . 1 1 32 32 SER HA H 1 4.496 0.004 . 1 . . . A 187 SER HA . 18187 1 291 . 1 1 32 32 SER HB3 H 1 3.938 0.004 . 1 . . . A 187 SER HB3 . 18187 1 292 . 1 1 32 32 SER C C 13 175.378 0.01 . 1 . . . A 187 SER C . 18187 1 293 . 1 1 32 32 SER CA C 13 58.342 0.086 . 1 . . . A 187 SER CA . 18187 1 294 . 1 1 32 32 SER CB C 13 64.043 0.039 . 1 . . . A 187 SER CB . 18187 1 295 . 1 1 32 32 SER N N 15 115.986 0.03 . 1 . . . A 187 SER N . 18187 1 296 . 1 1 33 33 GLY H H 1 8.612 0.003 . 1 . . . A 188 GLY H . 18187 1 297 . 1 1 33 33 GLY HA3 H 1 3.946 0.004 . 1 . . . A 188 GLY HA3 . 18187 1 298 . 1 1 33 33 GLY C C 13 174.392 0.05 . 1 . . . A 188 GLY C . 18187 1 299 . 1 1 33 33 GLY CA C 13 45.404 0.02 . 1 . . . A 188 GLY CA . 18187 1 300 . 1 1 33 33 GLY N N 15 110.54 0.032 . 1 . . . A 188 GLY N . 18187 1 301 . 1 1 34 34 GLU H H 1 8.263 0.002 . 1 . . . A 189 GLU H . 18187 1 302 . 1 1 34 34 GLU HA H 1 4.273 0.008 . 1 . . . A 189 GLU HA . 18187 1 303 . 1 1 34 34 GLU HB2 H 1 2.048 0.004 . 2 . . . A 189 GLU HB2 . 18187 1 304 . 1 1 34 34 GLU HB3 H 1 1.953 0.004 . 2 . . . A 189 GLU HB3 . 18187 1 305 . 1 1 34 34 GLU HG3 H 1 2.274 0.006 . 1 . . . A 189 GLU HG3 . 18187 1 306 . 1 1 34 34 GLU C C 13 176.697 0.057 . 1 . . . A 189 GLU C . 18187 1 307 . 1 1 34 34 GLU CA C 13 56.837 0.076 . 1 . . . A 189 GLU CA . 18187 1 308 . 1 1 34 34 GLU CB C 13 30.302 0.017 . 1 . . . A 189 GLU CB . 18187 1 309 . 1 1 34 34 GLU CG C 13 36.272 0.055 . 1 . . . A 189 GLU CG . 18187 1 310 . 1 1 34 34 GLU N N 15 120.765 0.026 . 1 . . . A 189 GLU N . 18187 1 311 . 1 1 35 35 SER H H 1 8.238 0.001 . 1 . . . A 190 SER H . 18187 1 312 . 1 1 35 35 SER HA H 1 4.399 0.004 . 1 . . . A 190 SER HA . 18187 1 313 . 1 1 35 35 SER HB3 H 1 3.864 0.004 . 1 . . . A 190 SER HB3 . 18187 1 314 . 1 1 35 35 SER CA C 13 58.438 0.076 . 1 . . . A 190 SER CA . 18187 1 315 . 1 1 35 35 SER CB C 13 63.527 0.05 . 1 . . . A 190 SER CB . 18187 1 316 . 1 1 35 35 SER N N 15 116.296 0.032 . 1 . . . A 190 SER N . 18187 1 317 . 1 1 36 36 VAL H H 1 8.439 0.002 . 1 . . . A 191 VAL H . 18187 1 318 . 1 1 36 36 VAL HA H 1 3.806 0.007 . 1 . . . A 191 VAL HA . 18187 1 319 . 1 1 36 36 VAL HB H 1 2.006 0.004 . 1 . . . A 191 VAL HB . 18187 1 320 . 1 1 36 36 VAL HG11 H 1 0.999 0.002 . 2 . . . A 191 VAL HG11 . 18187 1 321 . 1 1 36 36 VAL HG12 H 1 0.999 0.002 . 2 . . . A 191 VAL HG12 . 18187 1 322 . 1 1 36 36 VAL HG13 H 1 0.999 0.002 . 2 . . . A 191 VAL HG13 . 18187 1 323 . 1 1 36 36 VAL HG21 H 1 0.84 0.009 . 2 . . . A 191 VAL HG21 . 18187 1 324 . 1 1 36 36 VAL HG22 H 1 0.84 0.009 . 2 . . . A 191 VAL HG22 . 18187 1 325 . 1 1 36 36 VAL HG23 H 1 0.84 0.009 . 2 . . . A 191 VAL HG23 . 18187 1 326 . 1 1 36 36 VAL C C 13 177.718 0.012 . 1 . . . A 191 VAL C . 18187 1 327 . 1 1 36 36 VAL CA C 13 65.133 0.068 . 1 . . . A 191 VAL CA . 18187 1 328 . 1 1 36 36 VAL CB C 13 32.017 0.025 . 1 . . . A 191 VAL CB . 18187 1 329 . 1 1 36 36 VAL CG1 C 13 21.999 0.062 . 2 . . . A 191 VAL CG1 . 18187 1 330 . 1 1 36 36 VAL CG2 C 13 21.709 0.03 . 2 . . . A 191 VAL CG2 . 18187 1 331 . 1 1 36 36 VAL N N 15 124.876 0.056 . 1 . . . A 191 VAL N . 18187 1 332 . 1 1 37 37 VAL H H 1 7.72 0.003 . 1 . . . A 192 VAL H . 18187 1 333 . 1 1 37 37 VAL HA H 1 2.54 0.007 . 1 . . . A 192 VAL HA . 18187 1 334 . 1 1 37 37 VAL HB H 1 1.363 0.003 . 1 . . . A 192 VAL HB . 18187 1 335 . 1 1 37 37 VAL HG11 H 1 -0.055 0.005 . 2 . . . A 192 VAL HG11 . 18187 1 336 . 1 1 37 37 VAL HG12 H 1 -0.055 0.005 . 2 . . . A 192 VAL HG12 . 18187 1 337 . 1 1 37 37 VAL HG13 H 1 -0.055 0.005 . 2 . . . A 192 VAL HG13 . 18187 1 338 . 1 1 37 37 VAL HG21 H 1 0.119 0.003 . 2 . . . A 192 VAL HG21 . 18187 1 339 . 1 1 37 37 VAL HG22 H 1 0.119 0.003 . 2 . . . A 192 VAL HG22 . 18187 1 340 . 1 1 37 37 VAL HG23 H 1 0.119 0.003 . 2 . . . A 192 VAL HG23 . 18187 1 341 . 1 1 37 37 VAL C C 13 173.392 0.012 . 1 . . . A 192 VAL C . 18187 1 342 . 1 1 37 37 VAL CA C 13 63.527 0.036 . 1 . . . A 192 VAL CA . 18187 1 343 . 1 1 37 37 VAL CB C 13 31.046 0.035 . 1 . . . A 192 VAL CB . 18187 1 344 . 1 1 37 37 VAL CG1 C 13 20.343 0.034 . 2 . . . A 192 VAL CG1 . 18187 1 345 . 1 1 37 37 VAL CG2 C 13 22.463 0.031 . 2 . . . A 192 VAL CG2 . 18187 1 346 . 1 1 37 37 VAL N N 15 120.637 0.031 . 1 . . . A 192 VAL N . 18187 1 347 . 1 1 38 38 ALA H H 1 7.074 0.002 . 1 . . . A 193 ALA H . 18187 1 348 . 1 1 38 38 ALA HA H 1 4.541 0.007 . 1 . . . A 193 ALA HA . 18187 1 349 . 1 1 38 38 ALA HB1 H 1 1.686 0.004 . 1 . . . A 193 ALA HB1 . 18187 1 350 . 1 1 38 38 ALA HB2 H 1 1.686 0.004 . 1 . . . A 193 ALA HB2 . 18187 1 351 . 1 1 38 38 ALA HB3 H 1 1.686 0.004 . 1 . . . A 193 ALA HB3 . 18187 1 352 . 1 1 38 38 ALA C C 13 178.868 0.002 . 1 . . . A 193 ALA C . 18187 1 353 . 1 1 38 38 ALA CA C 13 52.428 0.057 . 1 . . . A 193 ALA CA . 18187 1 354 . 1 1 38 38 ALA CB C 13 19.184 0.042 . 1 . . . A 193 ALA CB . 18187 1 355 . 1 1 38 38 ALA N N 15 117.049 0.019 . 1 . . . A 193 ALA N . 18187 1 356 . 1 1 39 39 THR H H 1 7.877 0.002 . 1 . . . A 194 THR H . 18187 1 357 . 1 1 39 39 THR HA H 1 4.632 0.001 . 1 . . . A 194 THR HA . 18187 1 358 . 1 1 39 39 THR HB H 1 4.601 0.004 . 1 . . . A 194 THR HB . 18187 1 359 . 1 1 39 39 THR HG21 H 1 1.463 0.004 . 1 . . . A 194 THR HG21 . 18187 1 360 . 1 1 39 39 THR HG22 H 1 1.463 0.004 . 1 . . . A 194 THR HG22 . 18187 1 361 . 1 1 39 39 THR HG23 H 1 1.463 0.004 . 1 . . . A 194 THR HG23 . 18187 1 362 . 1 1 39 39 THR C C 13 174.693 0.011 . 1 . . . A 194 THR C . 18187 1 363 . 1 1 39 39 THR CA C 13 60.809 0.052 . 1 . . . A 194 THR CA . 18187 1 364 . 1 1 39 39 THR CB C 13 71.991 0.057 . 1 . . . A 194 THR CB . 18187 1 365 . 1 1 39 39 THR CG2 C 13 22.252 0.049 . 1 . . . A 194 THR CG2 . 18187 1 366 . 1 1 39 39 THR N N 15 110.322 0.03 . 1 . . . A 194 THR N . 18187 1 367 . 1 1 40 40 GLU H H 1 8.864 0.003 . 1 . . . A 195 GLU H . 18187 1 368 . 1 1 40 40 GLU HA H 1 4.424 0.009 . 1 . . . A 195 GLU HA . 18187 1 369 . 1 1 40 40 GLU HB2 H 1 2.181 0.004 . 2 . . . A 195 GLU HB2 . 18187 1 370 . 1 1 40 40 GLU HB3 H 1 2.093 0.004 . 2 . . . A 195 GLU HB3 . 18187 1 371 . 1 1 40 40 GLU HG3 H 1 2.497 0.004 . 1 . . . A 195 GLU HG3 . 18187 1 372 . 1 1 40 40 GLU C C 13 179.025 0.05 . 1 . . . A 195 GLU C . 18187 1 373 . 1 1 40 40 GLU CA C 13 59.082 0.05 . 1 . . . A 195 GLU CA . 18187 1 374 . 1 1 40 40 GLU CB C 13 29.332 0.014 . 1 . . . A 195 GLU CB . 18187 1 375 . 1 1 40 40 GLU CG C 13 36.419 0.05 . 1 . . . A 195 GLU CG . 18187 1 376 . 1 1 40 40 GLU N N 15 122.948 0.034 . 1 . . . A 195 GLU N . 18187 1 377 . 1 1 41 41 ALA H H 1 8.404 0.001 . 1 . . . A 196 ALA H . 18187 1 378 . 1 1 41 41 ALA HA H 1 4.201 0.004 . 1 . . . A 196 ALA HA . 18187 1 379 . 1 1 41 41 ALA HB1 H 1 1.458 0.003 . 1 . . . A 196 ALA HB1 . 18187 1 380 . 1 1 41 41 ALA HB2 H 1 1.458 0.003 . 1 . . . A 196 ALA HB2 . 18187 1 381 . 1 1 41 41 ALA HB3 H 1 1.458 0.003 . 1 . . . A 196 ALA HB3 . 18187 1 382 . 1 1 41 41 ALA C C 13 179.426 0.05 . 1 . . . A 196 ALA C . 18187 1 383 . 1 1 41 41 ALA CA C 13 54.95 0.05 . 1 . . . A 196 ALA CA . 18187 1 384 . 1 1 41 41 ALA CB C 13 18.48 0.061 . 1 . . . A 196 ALA CB . 18187 1 385 . 1 1 41 41 ALA N N 15 118.94 0.02 . 1 . . . A 196 ALA N . 18187 1 386 . 1 1 42 42 PHE H H 1 7.453 0.002 . 1 . . . A 197 PHE H . 18187 1 387 . 1 1 42 42 PHE HA H 1 3.838 0.011 . 1 . . . A 197 PHE HA . 18187 1 388 . 1 1 42 42 PHE HB2 H 1 2.871 0.004 . 2 . . . A 197 PHE HB2 . 18187 1 389 . 1 1 42 42 PHE HB3 H 1 2.76 0.004 . 2 . . . A 197 PHE HB3 . 18187 1 390 . 1 1 42 42 PHE HD1 H 1 5.799 0.004 . 3 . . . A 197 PHE HD1 . 18187 1 391 . 1 1 42 42 PHE HD2 H 1 5.799 0.004 . 3 . . . A 197 PHE HD2 . 18187 1 392 . 1 1 42 42 PHE HE1 H 1 5.919 0.025 . 3 . . . A 197 PHE HE1 . 18187 1 393 . 1 1 42 42 PHE HE2 H 1 5.919 0.025 . 3 . . . A 197 PHE HE2 . 18187 1 394 . 1 1 42 42 PHE HZ H 1 6.589 0.004 . 1 . . . A 197 PHE HZ . 18187 1 395 . 1 1 42 42 PHE C C 13 175.888 0.05 . 1 . . . A 197 PHE C . 18187 1 396 . 1 1 42 42 PHE CA C 13 62.048 0.025 . 1 . . . A 197 PHE CA . 18187 1 397 . 1 1 42 42 PHE CB C 13 39.081 0.067 . 1 . . . A 197 PHE CB . 18187 1 398 . 1 1 42 42 PHE CD1 C 13 132.141 0.05 . 3 . . . A 197 PHE CD1 . 18187 1 399 . 1 1 42 42 PHE CD2 C 13 132.141 0.05 . 3 . . . A 197 PHE CD2 . 18187 1 400 . 1 1 42 42 PHE CE1 C 13 129.783 0.05 . 3 . . . A 197 PHE CE1 . 18187 1 401 . 1 1 42 42 PHE CE2 C 13 129.783 0.05 . 3 . . . A 197 PHE CE2 . 18187 1 402 . 1 1 42 42 PHE CZ C 13 127.639 0.05 . 1 . . . A 197 PHE CZ . 18187 1 403 . 1 1 42 42 PHE N N 15 116.806 0.019 . 1 . . . A 197 PHE N . 18187 1 404 . 1 1 43 43 TRP H H 1 6.921 0.002 . 1 . . . A 198 TRP H . 18187 1 405 . 1 1 43 43 TRP HA H 1 3.784 0.003 . 1 . . . A 198 TRP HA . 18187 1 406 . 1 1 43 43 TRP HB2 H 1 2.494 0.004 . 2 . . . A 198 TRP HB2 . 18187 1 407 . 1 1 43 43 TRP HB3 H 1 2.098 0.004 . 2 . . . A 198 TRP HB3 . 18187 1 408 . 1 1 43 43 TRP HD1 H 1 7.818 0.004 . 1 . . . A 198 TRP HD1 . 18187 1 409 . 1 1 43 43 TRP HE1 H 1 10.016 0.002 . 1 . . . A 198 TRP HE1 . 18187 1 410 . 1 1 43 43 TRP HE3 H 1 7.511 0.004 . 1 . . . A 198 TRP HE3 . 18187 1 411 . 1 1 43 43 TRP HZ2 H 1 6.753 0.004 . 1 . . . A 198 TRP HZ2 . 18187 1 412 . 1 1 43 43 TRP HZ3 H 1 7.027 0.004 . 1 . . . A 198 TRP HZ3 . 18187 1 413 . 1 1 43 43 TRP HH2 H 1 7.252 0.004 . 1 . . . A 198 TRP HH2 . 18187 1 414 . 1 1 43 43 TRP C C 13 178.61 0.05 . 1 . . . A 198 TRP C . 18187 1 415 . 1 1 43 43 TRP CA C 13 60.153 0.051 . 1 . . . A 198 TRP CA . 18187 1 416 . 1 1 43 43 TRP CB C 13 28.547 0.039 . 1 . . . A 198 TRP CB . 18187 1 417 . 1 1 43 43 TRP CD1 C 13 129.56 0.05 . 1 . . . A 198 TRP CD1 . 18187 1 418 . 1 1 43 43 TRP CE3 C 13 120.187 0.05 . 1 . . . A 198 TRP CE3 . 18187 1 419 . 1 1 43 43 TRP CZ2 C 13 115.708 0.05 . 1 . . . A 198 TRP CZ2 . 18187 1 420 . 1 1 43 43 TRP CZ3 C 13 121.903 0.05 . 1 . . . A 198 TRP CZ3 . 18187 1 421 . 1 1 43 43 TRP CH2 C 13 124.197 0.05 . 1 . . . A 198 TRP CH2 . 18187 1 422 . 1 1 43 43 TRP N N 15 120.786 0.021 . 1 . . . A 198 TRP N . 18187 1 423 . 1 1 43 43 TRP NE1 N 15 130.717 0.025 . 1 . . . A 198 TRP NE1 . 18187 1 424 . 1 1 44 44 ASP H H 1 8.493 0.002 . 1 . . . A 199 ASP H . 18187 1 425 . 1 1 44 44 ASP HA H 1 4.49 0.007 . 1 . . . A 199 ASP HA . 18187 1 426 . 1 1 44 44 ASP HB3 H 1 2.763 0.003 . 1 . . . A 199 ASP HB3 . 18187 1 427 . 1 1 44 44 ASP C C 13 179.369 0.04 . 1 . . . A 199 ASP C . 18187 1 428 . 1 1 44 44 ASP CA C 13 57.548 0.008 . 1 . . . A 199 ASP CA . 18187 1 429 . 1 1 44 44 ASP CB C 13 39.9 0.041 . 1 . . . A 199 ASP CB . 18187 1 430 . 1 1 44 44 ASP N N 15 121.745 0.041 . 1 . . . A 199 ASP N . 18187 1 431 . 1 1 45 45 ASP H H 1 8.403 0.001 . 1 . . . A 200 ASP H . 18187 1 432 . 1 1 45 45 ASP HA H 1 4.466 0.004 . 1 . . . A 200 ASP HA . 18187 1 433 . 1 1 45 45 ASP HB2 H 1 2.891 0.002 . 2 . . . A 200 ASP HB2 . 18187 1 434 . 1 1 45 45 ASP HB3 H 1 2.715 0.003 . 2 . . . A 200 ASP HB3 . 18187 1 435 . 1 1 45 45 ASP C C 13 179.427 0.05 . 1 . . . A 200 ASP C . 18187 1 436 . 1 1 45 45 ASP CA C 13 57.096 0.036 . 1 . . . A 200 ASP CA . 18187 1 437 . 1 1 45 45 ASP CB C 13 39.363 0.018 . 1 . . . A 200 ASP CB . 18187 1 438 . 1 1 45 45 ASP N N 15 124.158 0.047 . 1 . . . A 200 ASP N . 18187 1 439 . 1 1 46 46 LEU H H 1 8.608 0.002 . 1 . . . A 201 LEU H . 18187 1 440 . 1 1 46 46 LEU HA H 1 3.651 0.001 . 1 . . . A 201 LEU HA . 18187 1 441 . 1 1 46 46 LEU HB2 H 1 0.744 0.012 . 2 . . . A 201 LEU HB2 . 18187 1 442 . 1 1 46 46 LEU HB3 H 1 1.779 0.016 . 2 . . . A 201 LEU HB3 . 18187 1 443 . 1 1 46 46 LEU HG H 1 1.071 0.003 . 1 . . . A 201 LEU HG . 18187 1 444 . 1 1 46 46 LEU HD11 H 1 1.51 0.002 . 2 . . . A 201 LEU HD11 . 18187 1 445 . 1 1 46 46 LEU HD12 H 1 1.51 0.002 . 2 . . . A 201 LEU HD12 . 18187 1 446 . 1 1 46 46 LEU HD13 H 1 1.51 0.002 . 2 . . . A 201 LEU HD13 . 18187 1 447 . 1 1 46 46 LEU HD21 H 1 0.819 0.004 . 2 . . . A 201 LEU HD21 . 18187 1 448 . 1 1 46 46 LEU HD22 H 1 0.819 0.004 . 2 . . . A 201 LEU HD22 . 18187 1 449 . 1 1 46 46 LEU HD23 H 1 0.819 0.004 . 2 . . . A 201 LEU HD23 . 18187 1 450 . 1 1 46 46 LEU C C 13 178.012 0.05 . 1 . . . A 201 LEU C . 18187 1 451 . 1 1 46 46 LEU CA C 13 57.886 0.033 . 1 . . . A 201 LEU CA . 18187 1 452 . 1 1 46 46 LEU CB C 13 40.601 0.048 . 1 . . . A 201 LEU CB . 18187 1 453 . 1 1 46 46 LEU CG C 13 27.872 0.037 . 1 . . . A 201 LEU CG . 18187 1 454 . 1 1 46 46 LEU CD1 C 13 27.521 0.05 . 2 . . . A 201 LEU CD1 . 18187 1 455 . 1 1 46 46 LEU CD2 C 13 24.355 0.035 . 2 . . . A 201 LEU CD2 . 18187 1 456 . 1 1 46 46 LEU N N 15 123.911 0.024 . 1 . . . A 201 LEU N . 18187 1 457 . 1 1 47 47 GLN H H 1 8.456 0.003 . 1 . . . A 202 GLN H . 18187 1 458 . 1 1 47 47 GLN HA H 1 3.782 0.006 . 1 . . . A 202 GLN HA . 18187 1 459 . 1 1 47 47 GLN HB3 H 1 2.33 0.007 . 1 . . . A 202 GLN HB3 . 18187 1 460 . 1 1 47 47 GLN HG2 H 1 2.485 0.004 . 2 . . . A 202 GLN HG2 . 18187 1 461 . 1 1 47 47 GLN HG3 H 1 2.098 0.004 . 2 . . . A 202 GLN HG3 . 18187 1 462 . 1 1 47 47 GLN HE21 H 1 7.97 0.001 . 1 . . . A 202 GLN HE21 . 18187 1 463 . 1 1 47 47 GLN HE22 H 1 6.19 0.002 . 1 . . . A 202 GLN HE22 . 18187 1 464 . 1 1 47 47 GLN C C 13 177.675 0.05 . 1 . . . A 202 GLN C . 18187 1 465 . 1 1 47 47 GLN CA C 13 60.157 0.072 . 1 . . . A 202 GLN CA . 18187 1 466 . 1 1 47 47 GLN CB C 13 27.702 0.038 . 1 . . . A 202 GLN CB . 18187 1 467 . 1 1 47 47 GLN CG C 13 33 0.035 . 1 . . . A 202 GLN CG . 18187 1 468 . 1 1 47 47 GLN N N 15 120.272 0.029 . 1 . . . A 202 GLN N . 18187 1 469 . 1 1 47 47 GLN NE2 N 15 110.755 0.03 . 1 . . . A 202 GLN NE2 . 18187 1 470 . 1 1 48 48 GLY H H 1 8.066 0.004 . 1 . . . A 203 GLY H . 18187 1 471 . 1 1 48 48 GLY HA3 H 1 3.887 0.004 . 1 . . . A 203 GLY HA3 . 18187 1 472 . 1 1 48 48 GLY C C 13 176.245 0.05 . 1 . . . A 203 GLY C . 18187 1 473 . 1 1 48 48 GLY CA C 13 47.295 0.071 . 1 . . . A 203 GLY CA . 18187 1 474 . 1 1 48 48 GLY N N 15 106.081 0.036 . 1 . . . A 203 GLY N . 18187 1 475 . 1 1 49 49 PHE H H 1 7.828 0.002 . 1 . . . A 204 PHE H . 18187 1 476 . 1 1 49 49 PHE HA H 1 3.998 0.006 . 1 . . . A 204 PHE HA . 18187 1 477 . 1 1 49 49 PHE HB2 H 1 2.401 0.007 . 2 . . . A 204 PHE HB2 . 18187 1 478 . 1 1 49 49 PHE HB3 H 1 2.294 0.003 . 2 . . . A 204 PHE HB3 . 18187 1 479 . 1 1 49 49 PHE HD1 H 1 6.803 0.004 . 3 . . . A 204 PHE HD1 . 18187 1 480 . 1 1 49 49 PHE HD2 H 1 6.803 0.004 . 3 . . . A 204 PHE HD2 . 18187 1 481 . 1 1 49 49 PHE HE1 H 1 6.887 0.004 . 3 . . . A 204 PHE HE1 . 18187 1 482 . 1 1 49 49 PHE HE2 H 1 6.887 0.004 . 3 . . . A 204 PHE HE2 . 18187 1 483 . 1 1 49 49 PHE HZ H 1 6.579 0.004 . 1 . . . A 204 PHE HZ . 18187 1 484 . 1 1 49 49 PHE C C 13 177.106 0.05 . 1 . . . A 204 PHE C . 18187 1 485 . 1 1 49 49 PHE CA C 13 61.095 0.064 . 1 . . . A 204 PHE CA . 18187 1 486 . 1 1 49 49 PHE CB C 13 37.828 0.041 . 1 . . . A 204 PHE CB . 18187 1 487 . 1 1 49 49 PHE CD1 C 13 132.035 0.05 . 3 . . . A 204 PHE CD1 . 18187 1 488 . 1 1 49 49 PHE CD2 C 13 132.035 0.05 . 3 . . . A 204 PHE CD2 . 18187 1 489 . 1 1 49 49 PHE CE1 C 13 130.282 0.05 . 3 . . . A 204 PHE CE1 . 18187 1 490 . 1 1 49 49 PHE CE2 C 13 130.282 0.05 . 3 . . . A 204 PHE CE2 . 18187 1 491 . 1 1 49 49 PHE CZ C 13 127.945 0.05 . 1 . . . A 204 PHE CZ . 18187 1 492 . 1 1 49 49 PHE N N 15 123.222 0.023 . 1 . . . A 204 PHE N . 18187 1 493 . 1 1 50 50 LEU H H 1 8.492 0.003 . 1 . . . A 205 LEU H . 18187 1 494 . 1 1 50 50 LEU HA H 1 3.523 0.007 . 1 . . . A 205 LEU HA . 18187 1 495 . 1 1 50 50 LEU HB2 H 1 1.058 0.004 . 2 . . . A 205 LEU HB2 . 18187 1 496 . 1 1 50 50 LEU HB3 H 1 1.107 0.004 . 2 . . . A 205 LEU HB3 . 18187 1 497 . 1 1 50 50 LEU HG H 1 2.102 0.018 . 1 . . . A 205 LEU HG . 18187 1 498 . 1 1 50 50 LEU HD11 H 1 1.051 0.001 . 2 . . . A 205 LEU HD11 . 18187 1 499 . 1 1 50 50 LEU HD12 H 1 1.051 0.001 . 2 . . . A 205 LEU HD12 . 18187 1 500 . 1 1 50 50 LEU HD13 H 1 1.051 0.001 . 2 . . . A 205 LEU HD13 . 18187 1 501 . 1 1 50 50 LEU HD21 H 1 0.886 0.003 . 2 . . . A 205 LEU HD21 . 18187 1 502 . 1 1 50 50 LEU HD22 H 1 0.886 0.003 . 2 . . . A 205 LEU HD22 . 18187 1 503 . 1 1 50 50 LEU HD23 H 1 0.886 0.003 . 2 . . . A 205 LEU HD23 . 18187 1 504 . 1 1 50 50 LEU C C 13 178.63 0.05 . 1 . . . A 205 LEU C . 18187 1 505 . 1 1 50 50 LEU CA C 13 57.777 0.055 . 1 . . . A 205 LEU CA . 18187 1 506 . 1 1 50 50 LEU CB C 13 42.258 0.037 . 1 . . . A 205 LEU CB . 18187 1 507 . 1 1 50 50 LEU CG C 13 26.518 0.053 . 1 . . . A 205 LEU CG . 18187 1 508 . 1 1 50 50 LEU CD1 C 13 23.383 0.009 . 2 . . . A 205 LEU CD1 . 18187 1 509 . 1 1 50 50 LEU CD2 C 13 26.554 0.024 . 2 . . . A 205 LEU CD2 . 18187 1 510 . 1 1 50 50 LEU N N 15 119.09 0.024 . 1 . . . A 205 LEU N . 18187 1 511 . 1 1 51 51 GLU H H 1 8.858 0.004 . 1 . . . A 206 GLU H . 18187 1 512 . 1 1 51 51 GLU HA H 1 3.438 0.011 . 1 . . . A 206 GLU HA . 18187 1 513 . 1 1 51 51 GLU HB2 H 1 1.836 0.001 . 2 . . . A 206 GLU HB2 . 18187 1 514 . 1 1 51 51 GLU HB3 H 1 2.094 0.002 . 2 . . . A 206 GLU HB3 . 18187 1 515 . 1 1 51 51 GLU HG2 H 1 2.364 0.002 . 2 . . . A 206 GLU HG2 . 18187 1 516 . 1 1 51 51 GLU HG3 H 1 1.951 0.011 . 2 . . . A 206 GLU HG3 . 18187 1 517 . 1 1 51 51 GLU C C 13 179.505 0.05 . 1 . . . A 206 GLU C . 18187 1 518 . 1 1 51 51 GLU CA C 13 60.407 0.039 . 1 . . . A 206 GLU CA . 18187 1 519 . 1 1 51 51 GLU CB C 13 29.468 0.027 . 1 . . . A 206 GLU CB . 18187 1 520 . 1 1 51 51 GLU CG C 13 37.407 0.016 . 1 . . . A 206 GLU CG . 18187 1 521 . 1 1 51 51 GLU N N 15 120.179 0.044 . 1 . . . A 206 GLU N . 18187 1 522 . 1 1 52 52 GLN H H 1 7.494 0.002 . 1 . . . A 207 GLN H . 18187 1 523 . 1 1 52 52 GLN HA H 1 3.983 0.004 . 1 . . . A 207 GLN HA . 18187 1 524 . 1 1 52 52 GLN HB3 H 1 2.027 0.005 . 1 . . . A 207 GLN HB3 . 18187 1 525 . 1 1 52 52 GLN HG2 H 1 2.348 0.014 . 2 . . . A 207 GLN HG2 . 18187 1 526 . 1 1 52 52 GLN HG3 H 1 2.466 0.005 . 2 . . . A 207 GLN HG3 . 18187 1 527 . 1 1 52 52 GLN HE21 H 1 7.399 0.001 . 1 . . . A 207 GLN HE21 . 18187 1 528 . 1 1 52 52 GLN HE22 H 1 6.813 0.003 . 1 . . . A 207 GLN HE22 . 18187 1 529 . 1 1 52 52 GLN C C 13 177.423 0.05 . 1 . . . A 207 GLN C . 18187 1 530 . 1 1 52 52 GLN CA C 13 57.992 0.067 . 1 . . . A 207 GLN CA . 18187 1 531 . 1 1 52 52 GLN CB C 13 28.3 0.057 . 1 . . . A 207 GLN CB . 18187 1 532 . 1 1 52 52 GLN CG C 13 33.736 0.056 . 1 . . . A 207 GLN CG . 18187 1 533 . 1 1 52 52 GLN N N 15 117.361 0.023 . 1 . . . A 207 GLN N . 18187 1 534 . 1 1 52 52 GLN NE2 N 15 112.108 0.042 . 1 . . . A 207 GLN NE2 . 18187 1 535 . 1 1 53 53 ARG H H 1 8.027 0.002 . 1 . . . A 208 ARG H . 18187 1 536 . 1 1 53 53 ARG HA H 1 4.104 0.005 . 1 . . . A 208 ARG HA . 18187 1 537 . 1 1 53 53 ARG HB2 H 1 1.11 0.009 . 2 . . . A 208 ARG HB2 . 18187 1 538 . 1 1 53 53 ARG HB3 H 1 1.365 0.006 . 2 . . . A 208 ARG HB3 . 18187 1 539 . 1 1 53 53 ARG HD2 H 1 3.191 0.007 . 2 . . . A 208 ARG HD2 . 18187 1 540 . 1 1 53 53 ARG HD3 H 1 2.913 0.002 . 2 . . . A 208 ARG HD3 . 18187 1 541 . 1 1 53 53 ARG HE H 1 8.854 0.004 . 1 . . . A 208 ARG HE . 18187 1 542 . 1 1 53 53 ARG C C 13 177.763 0.05 . 1 . . . A 208 ARG C . 18187 1 543 . 1 1 53 53 ARG CA C 13 55.99 0.045 . 1 . . . A 208 ARG CA . 18187 1 544 . 1 1 53 53 ARG CB C 13 30.365 0.041 . 1 . . . A 208 ARG CB . 18187 1 545 . 1 1 53 53 ARG CG C 13 27.504 0.05 . 1 . . . A 208 ARG CG . 18187 1 546 . 1 1 53 53 ARG CD C 13 41.477 0.057 . 1 . . . A 208 ARG CD . 18187 1 547 . 1 1 53 53 ARG N N 15 117.763 0.021 . 1 . . . A 208 ARG N . 18187 1 548 . 1 1 54 54 LEU H H 1 8.429 0.004 . 1 . . . A 209 LEU H . 18187 1 549 . 1 1 54 54 LEU HA H 1 4.148 0.005 . 1 . . . A 209 LEU HA . 18187 1 550 . 1 1 54 54 LEU HB2 H 1 1.36 0.006 . 2 . . . A 209 LEU HB2 . 18187 1 551 . 1 1 54 54 LEU HB3 H 1 1.711 0.006 . 2 . . . A 209 LEU HB3 . 18187 1 552 . 1 1 54 54 LEU HG H 1 1.542 0.002 . 1 . . . A 209 LEU HG . 18187 1 553 . 1 1 54 54 LEU HD11 H 1 0.358 0.004 . 2 . . . A 209 LEU HD11 . 18187 1 554 . 1 1 54 54 LEU HD12 H 1 0.358 0.004 . 2 . . . A 209 LEU HD12 . 18187 1 555 . 1 1 54 54 LEU HD13 H 1 0.358 0.004 . 2 . . . A 209 LEU HD13 . 18187 1 556 . 1 1 54 54 LEU HD21 H 1 0.485 0.005 . 2 . . . A 209 LEU HD21 . 18187 1 557 . 1 1 54 54 LEU HD22 H 1 0.485 0.005 . 2 . . . A 209 LEU HD22 . 18187 1 558 . 1 1 54 54 LEU HD23 H 1 0.485 0.005 . 2 . . . A 209 LEU HD23 . 18187 1 559 . 1 1 54 54 LEU C C 13 177.033 0.012 . 1 . . . A 209 LEU C . 18187 1 560 . 1 1 54 54 LEU CA C 13 55.218 0.046 . 1 . . . A 209 LEU CA . 18187 1 561 . 1 1 54 54 LEU CB C 13 42.3 0.047 . 1 . . . A 209 LEU CB . 18187 1 562 . 1 1 54 54 LEU CG C 13 27.457 0.04 . 1 . . . A 209 LEU CG . 18187 1 563 . 1 1 54 54 LEU CD1 C 13 23.009 0.052 . 2 . . . A 209 LEU CD1 . 18187 1 564 . 1 1 54 54 LEU CD2 C 13 25.57 0.047 . 2 . . . A 209 LEU CD2 . 18187 1 565 . 1 1 54 54 LEU N N 15 116.108 0.038 . 1 . . . A 209 LEU N . 18187 1 566 . 1 1 55 55 LYS H H 1 7.63 0.003 . 1 . . . A 210 LYS H . 18187 1 567 . 1 1 55 55 LYS HA H 1 3.899 0.007 . 1 . . . A 210 LYS HA . 18187 1 568 . 1 1 55 55 LYS HB2 H 1 1.979 0.021 . 2 . . . A 210 LYS HB2 . 18187 1 569 . 1 1 55 55 LYS HB3 H 1 1.939 0.015 . 2 . . . A 210 LYS HB3 . 18187 1 570 . 1 1 55 55 LYS HG3 H 1 1.282 0.005 . 1 . . . A 210 LYS HG3 . 18187 1 571 . 1 1 55 55 LYS HD2 H 1 1.621 0.002 . 2 . . . A 210 LYS HD2 . 18187 1 572 . 1 1 55 55 LYS HD3 H 1 1.69 0.007 . 2 . . . A 210 LYS HD3 . 18187 1 573 . 1 1 55 55 LYS HE3 H 1 3.024 0.004 . 1 . . . A 210 LYS HE3 . 18187 1 574 . 1 1 55 55 LYS C C 13 174.906 0.039 . 1 . . . A 210 LYS C . 18187 1 575 . 1 1 55 55 LYS CA C 13 57.081 0.068 . 1 . . . A 210 LYS CA . 18187 1 576 . 1 1 55 55 LYS CB C 13 29.25 0.017 . 1 . . . A 210 LYS CB . 18187 1 577 . 1 1 55 55 LYS CD C 13 29.095 0.083 . 1 . . . A 210 LYS CD . 18187 1 578 . 1 1 55 55 LYS CE C 13 42.509 0.05 . 1 . . . A 210 LYS CE . 18187 1 579 . 1 1 55 55 LYS N N 15 113.438 0.022 . 1 . . . A 210 LYS N . 18187 1 580 . 1 1 56 56 ASP H H 1 6.476 0.003 . 1 . . . A 211 ASP H . 18187 1 581 . 1 1 56 56 ASP HA H 1 4.727 0.003 . 1 . . . A 211 ASP HA . 18187 1 582 . 1 1 56 56 ASP HB3 H 1 2.51 0.005 . 1 . . . A 211 ASP HB3 . 18187 1 583 . 1 1 56 56 ASP C C 13 175.488 0.001 . 1 . . . A 211 ASP C . 18187 1 584 . 1 1 56 56 ASP CA C 13 53.94 0.05 . 1 . . . A 211 ASP CA . 18187 1 585 . 1 1 56 56 ASP CB C 13 43.494 0.034 . 1 . . . A 211 ASP CB . 18187 1 586 . 1 1 56 56 ASP N N 15 114.784 0.03 . 1 . . . A 211 ASP N . 18187 1 587 . 1 1 57 57 TYR H H 1 8.931 0.002 . 1 . . . A 212 TYR H . 18187 1 588 . 1 1 57 57 TYR HA H 1 3.924 0.004 . 1 . . . A 212 TYR HA . 18187 1 589 . 1 1 57 57 TYR HB2 H 1 3.131 0.006 . 2 . . . A 212 TYR HB2 . 18187 1 590 . 1 1 57 57 TYR HB3 H 1 2.981 0.008 . 2 . . . A 212 TYR HB3 . 18187 1 591 . 1 1 57 57 TYR HD1 H 1 7.13 0.004 . 3 . . . A 212 TYR HD1 . 18187 1 592 . 1 1 57 57 TYR HD2 H 1 7.13 0.004 . 3 . . . A 212 TYR HD2 . 18187 1 593 . 1 1 57 57 TYR HE1 H 1 6.806 0.004 . 3 . . . A 212 TYR HE1 . 18187 1 594 . 1 1 57 57 TYR HE2 H 1 6.806 0.004 . 3 . . . A 212 TYR HE2 . 18187 1 595 . 1 1 57 57 TYR C C 13 177.196 0.006 . 1 . . . A 212 TYR C . 18187 1 596 . 1 1 57 57 TYR CA C 13 62.066 0.014 . 1 . . . A 212 TYR CA . 18187 1 597 . 1 1 57 57 TYR CB C 13 38.357 0.057 . 1 . . . A 212 TYR CB . 18187 1 598 . 1 1 57 57 TYR CD1 C 13 133.253 0.05 . 3 . . . A 212 TYR CD1 . 18187 1 599 . 1 1 57 57 TYR CD2 C 13 133.253 0.05 . 3 . . . A 212 TYR CD2 . 18187 1 600 . 1 1 57 57 TYR CE1 C 13 118.233 0.05 . 3 . . . A 212 TYR CE1 . 18187 1 601 . 1 1 57 57 TYR CE2 C 13 118.233 0.05 . 3 . . . A 212 TYR CE2 . 18187 1 602 . 1 1 57 57 TYR N N 15 127.091 0.028 . 1 . . . A 212 TYR N . 18187 1 603 . 1 1 58 58 ASP H H 1 8.275 0.002 . 1 . . . A 213 ASP H . 18187 1 604 . 1 1 58 58 ASP HB2 H 1 2.689 0.004 . 2 . . . A 213 ASP HB2 . 18187 1 605 . 1 1 58 58 ASP HB3 H 1 2.832 0.004 . 2 . . . A 213 ASP HB3 . 18187 1 606 . 1 1 58 58 ASP C C 13 179.118 0.05 . 1 . . . A 213 ASP C . 18187 1 607 . 1 1 58 58 ASP CA C 13 57.718 0.031 . 1 . . . A 213 ASP CA . 18187 1 608 . 1 1 58 58 ASP CB C 13 40.674 0.002 . 1 . . . A 213 ASP CB . 18187 1 609 . 1 1 58 58 ASP N N 15 120.43 0.031 . 1 . . . A 213 ASP N . 18187 1 610 . 1 1 59 59 GLU H H 1 8.539 0.002 . 1 . . . A 214 GLU H . 18187 1 611 . 1 1 59 59 GLU HA H 1 3.952 0.004 . 1 . . . A 214 GLU HA . 18187 1 612 . 1 1 59 59 GLU HB2 H 1 1.752 0.004 . 2 . . . A 214 GLU HB2 . 18187 1 613 . 1 1 59 59 GLU HB3 H 1 1.906 0.003 . 2 . . . A 214 GLU HB3 . 18187 1 614 . 1 1 59 59 GLU HG2 H 1 2.202 0.004 . 2 . . . A 214 GLU HG2 . 18187 1 615 . 1 1 59 59 GLU HG3 H 1 2.164 0.004 . 2 . . . A 214 GLU HG3 . 18187 1 616 . 1 1 59 59 GLU C C 13 178.268 0.05 . 1 . . . A 214 GLU C . 18187 1 617 . 1 1 59 59 GLU CA C 13 58.672 0.037 . 1 . . . A 214 GLU CA . 18187 1 618 . 1 1 59 59 GLU CB C 13 29.251 0.062 . 1 . . . A 214 GLU CB . 18187 1 619 . 1 1 59 59 GLU CG C 13 35.116 0.05 . 1 . . . A 214 GLU CG . 18187 1 620 . 1 1 59 59 GLU N N 15 121.986 0.07 . 1 . . . A 214 GLU N . 18187 1 621 . 1 1 60 60 ALA H H 1 7.691 0.003 . 1 . . . A 215 ALA H . 18187 1 622 . 1 1 60 60 ALA HA H 1 3.685 0.004 . 1 . . . A 215 ALA HA . 18187 1 623 . 1 1 60 60 ALA HB1 H 1 1.305 0.003 . 1 . . . A 215 ALA HB1 . 18187 1 624 . 1 1 60 60 ALA HB2 H 1 1.305 0.003 . 1 . . . A 215 ALA HB2 . 18187 1 625 . 1 1 60 60 ALA HB3 H 1 1.305 0.003 . 1 . . . A 215 ALA HB3 . 18187 1 626 . 1 1 60 60 ALA C C 13 178.254 0.05 . 1 . . . A 215 ALA C . 18187 1 627 . 1 1 60 60 ALA CA C 13 55.428 0.045 . 1 . . . A 215 ALA CA . 18187 1 628 . 1 1 60 60 ALA CB C 13 19.084 0.044 . 1 . . . A 215 ALA CB . 18187 1 629 . 1 1 60 60 ALA N N 15 119.319 0.036 . 1 . . . A 215 ALA N . 18187 1 630 . 1 1 61 61 ASN H H 1 8.034 0.003 . 1 . . . A 216 ASN H . 18187 1 631 . 1 1 61 61 ASN HA H 1 4.332 0.005 . 1 . . . A 216 ASN HA . 18187 1 632 . 1 1 61 61 ASN HB2 H 1 2.654 0.008 . 2 . . . A 216 ASN HB2 . 18187 1 633 . 1 1 61 61 ASN HB3 H 1 2.513 0.009 . 2 . . . A 216 ASN HB3 . 18187 1 634 . 1 1 61 61 ASN HD21 H 1 7.566 0.002 . 1 . . . A 216 ASN HD21 . 18187 1 635 . 1 1 61 61 ASN HD22 H 1 6.603 0.002 . 1 . . . A 216 ASN HD22 . 18187 1 636 . 1 1 61 61 ASN C C 13 176.476 0.047 . 1 . . . A 216 ASN C . 18187 1 637 . 1 1 61 61 ASN CA C 13 56.775 0.043 . 1 . . . A 216 ASN CA . 18187 1 638 . 1 1 61 61 ASN CB C 13 39.317 0.053 . 1 . . . A 216 ASN CB . 18187 1 639 . 1 1 61 61 ASN N N 15 115.688 0.019 . 1 . . . A 216 ASN N . 18187 1 640 . 1 1 61 61 ASN ND2 N 15 112.487 0.035 . 1 . . . A 216 ASN ND2 . 18187 1 641 . 1 1 62 62 LYS H H 1 7.934 0.003 . 1 . . . A 217 LYS H . 18187 1 642 . 1 1 62 62 LYS HA H 1 3.85 0.004 . 1 . . . A 217 LYS HA . 18187 1 643 . 1 1 62 62 LYS HB2 H 1 1.859 0.004 . 2 . . . A 217 LYS HB2 . 18187 1 644 . 1 1 62 62 LYS HB3 H 1 1.886 0.008 . 2 . . . A 217 LYS HB3 . 18187 1 645 . 1 1 62 62 LYS HG2 H 1 1.587 0.002 . 2 . . . A 217 LYS HG2 . 18187 1 646 . 1 1 62 62 LYS HG3 H 1 1.28 0.006 . 2 . . . A 217 LYS HG3 . 18187 1 647 . 1 1 62 62 LYS HD2 H 1 1.662 0.001 . 2 . . . A 217 LYS HD2 . 18187 1 648 . 1 1 62 62 LYS HD3 H 1 1.602 0.004 . 2 . . . A 217 LYS HD3 . 18187 1 649 . 1 1 62 62 LYS HE3 H 1 2.906 0.001 . 1 . . . A 217 LYS HE3 . 18187 1 650 . 1 1 62 62 LYS C C 13 179.852 0.004 . 1 . . . A 217 LYS C . 18187 1 651 . 1 1 62 62 LYS CA C 13 59.755 0.051 . 1 . . . A 217 LYS CA . 18187 1 652 . 1 1 62 62 LYS CB C 13 32.555 0.012 . 1 . . . A 217 LYS CB . 18187 1 653 . 1 1 62 62 LYS CG C 13 25.122 0.12 . 1 . . . A 217 LYS CG . 18187 1 654 . 1 1 62 62 LYS CD C 13 29.518 0.064 . 1 . . . A 217 LYS CD . 18187 1 655 . 1 1 62 62 LYS CE C 13 42.001 0.04 . 1 . . . A 217 LYS CE . 18187 1 656 . 1 1 62 62 LYS N N 15 118.661 0.031 . 1 . . . A 217 LYS N . 18187 1 657 . 1 1 63 63 LEU H H 1 7.999 0.003 . 1 . . . A 218 LEU H . 18187 1 658 . 1 1 63 63 LEU HA H 1 3.697 0.004 . 1 . . . A 218 LEU HA . 18187 1 659 . 1 1 63 63 LEU HB2 H 1 1.508 0.01 . 2 . . . A 218 LEU HB2 . 18187 1 660 . 1 1 63 63 LEU HB3 H 1 0.667 0.008 . 2 . . . A 218 LEU HB3 . 18187 1 661 . 1 1 63 63 LEU HD11 H 1 0.683 0.006 . 2 . . . A 218 LEU HD11 . 18187 1 662 . 1 1 63 63 LEU HD12 H 1 0.683 0.006 . 2 . . . A 218 LEU HD12 . 18187 1 663 . 1 1 63 63 LEU HD13 H 1 0.683 0.006 . 2 . . . A 218 LEU HD13 . 18187 1 664 . 1 1 63 63 LEU HD21 H 1 0.746 0.003 . 2 . . . A 218 LEU HD21 . 18187 1 665 . 1 1 63 63 LEU HD22 H 1 0.746 0.003 . 2 . . . A 218 LEU HD22 . 18187 1 666 . 1 1 63 63 LEU HD23 H 1 0.746 0.003 . 2 . . . A 218 LEU HD23 . 18187 1 667 . 1 1 63 63 LEU C C 13 176.847 0.016 . 1 . . . A 218 LEU C . 18187 1 668 . 1 1 63 63 LEU CA C 13 57.124 0.061 . 1 . . . A 218 LEU CA . 18187 1 669 . 1 1 63 63 LEU CB C 13 41.083 0.033 . 1 . . . A 218 LEU CB . 18187 1 670 . 1 1 63 63 LEU CD1 C 13 26.457 0.07 . 2 . . . A 218 LEU CD1 . 18187 1 671 . 1 1 63 63 LEU CD2 C 13 23.196 0.042 . 2 . . . A 218 LEU CD2 . 18187 1 672 . 1 1 63 63 LEU N N 15 118.895 0.022 . 1 . . . A 218 LEU N . 18187 1 673 . 1 1 64 64 ARG H H 1 8.146 0.003 . 1 . . . A 219 ARG H . 18187 1 674 . 1 1 64 64 ARG HA H 1 3.662 0.016 . 1 . . . A 219 ARG HA . 18187 1 675 . 1 1 64 64 ARG HB2 H 1 1.887 0.027 . 2 . . . A 219 ARG HB2 . 18187 1 676 . 1 1 64 64 ARG HB3 H 1 2.093 0.019 . 2 . . . A 219 ARG HB3 . 18187 1 677 . 1 1 64 64 ARG HG2 H 1 2.079 0.004 . 2 . . . A 219 ARG HG2 . 18187 1 678 . 1 1 64 64 ARG HG3 H 1 1.838 0.001 . 2 . . . A 219 ARG HG3 . 18187 1 679 . 1 1 64 64 ARG HD2 H 1 3.405 0.004 . 2 . . . A 219 ARG HD2 . 18187 1 680 . 1 1 64 64 ARG HD3 H 1 3.253 0.002 . 2 . . . A 219 ARG HD3 . 18187 1 681 . 1 1 64 64 ARG HE H 1 7.363 0.004 . 1 . . . A 219 ARG HE . 18187 1 682 . 1 1 64 64 ARG C C 13 177.823 0.027 . 1 . . . A 219 ARG C . 18187 1 683 . 1 1 64 64 ARG CA C 13 61.192 0.05 . 1 . . . A 219 ARG CA . 18187 1 684 . 1 1 64 64 ARG CB C 13 28.612 0.036 . 1 . . . A 219 ARG CB . 18187 1 685 . 1 1 64 64 ARG CG C 13 26.738 0.037 . 1 . . . A 219 ARG CG . 18187 1 686 . 1 1 64 64 ARG CD C 13 43.73 0.065 . 1 . . . A 219 ARG CD . 18187 1 687 . 1 1 64 64 ARG N N 15 119.713 0.032 . 1 . . . A 219 ARG N . 18187 1 688 . 1 1 65 65 VAL H H 1 7.879 0.003 . 1 . . . A 220 VAL H . 18187 1 689 . 1 1 65 65 VAL HA H 1 3.52 0.007 . 1 . . . A 220 VAL HA . 18187 1 690 . 1 1 65 65 VAL HB H 1 2.06 0.001 . 1 . . . A 220 VAL HB . 18187 1 691 . 1 1 65 65 VAL HG11 H 1 0.955 0.014 . 2 . . . A 220 VAL HG11 . 18187 1 692 . 1 1 65 65 VAL HG12 H 1 0.955 0.014 . 2 . . . A 220 VAL HG12 . 18187 1 693 . 1 1 65 65 VAL HG13 H 1 0.955 0.014 . 2 . . . A 220 VAL HG13 . 18187 1 694 . 1 1 65 65 VAL HG21 H 1 1.04 0.003 . 2 . . . A 220 VAL HG21 . 18187 1 695 . 1 1 65 65 VAL HG22 H 1 1.04 0.003 . 2 . . . A 220 VAL HG22 . 18187 1 696 . 1 1 65 65 VAL HG23 H 1 1.04 0.003 . 2 . . . A 220 VAL HG23 . 18187 1 697 . 1 1 65 65 VAL C C 13 178.255 0.005 . 1 . . . A 220 VAL C . 18187 1 698 . 1 1 65 65 VAL CA C 13 66.77 0.059 . 1 . . . A 220 VAL CA . 18187 1 699 . 1 1 65 65 VAL CB C 13 31.935 0.053 . 1 . . . A 220 VAL CB . 18187 1 700 . 1 1 65 65 VAL CG1 C 13 21.062 0.038 . 2 . . . A 220 VAL CG1 . 18187 1 701 . 1 1 65 65 VAL CG2 C 13 22.887 0.079 . 2 . . . A 220 VAL CG2 . 18187 1 702 . 1 1 65 65 VAL N N 15 117.416 0.023 . 1 . . . A 220 VAL N . 18187 1 703 . 1 1 66 66 LEU H H 1 7.687 0.004 . 1 . . . A 221 LEU H . 18187 1 704 . 1 1 66 66 LEU HA H 1 4.17 0.01 . 1 . . . A 221 LEU HA . 18187 1 705 . 1 1 66 66 LEU HB3 H 1 1.802 0.005 . 1 . . . A 221 LEU HB3 . 18187 1 706 . 1 1 66 66 LEU HG H 1 1.068 0.004 . 1 . . . A 221 LEU HG . 18187 1 707 . 1 1 66 66 LEU C C 13 180.204 0.05 . 1 . . . A 221 LEU C . 18187 1 708 . 1 1 66 66 LEU CA C 13 58.26 0.047 . 1 . . . A 221 LEU CA . 18187 1 709 . 1 1 66 66 LEU CB C 13 42.872 0.019 . 1 . . . A 221 LEU CB . 18187 1 710 . 1 1 66 66 LEU CG C 13 24.834 0.05 . 1 . . . A 221 LEU CG . 18187 1 711 . 1 1 66 66 LEU CD1 C 13 24.078 0.05 . 2 . . . A 221 LEU CD1 . 18187 1 712 . 1 1 66 66 LEU CD2 C 13 22.775 0.05 . 2 . . . A 221 LEU CD2 . 18187 1 713 . 1 1 66 66 LEU N N 15 121.38 0.03 . 1 . . . A 221 LEU N . 18187 1 714 . 1 1 67 67 PHE H H 1 9.175 0.003 . 1 . . . A 222 PHE H . 18187 1 715 . 1 1 67 67 PHE HA H 1 4.514 0.006 . 1 . . . A 222 PHE HA . 18187 1 716 . 1 1 67 67 PHE HB2 H 1 3.24 0.008 . 2 . . . A 222 PHE HB2 . 18187 1 717 . 1 1 67 67 PHE HB3 H 1 2.4 0.008 . 2 . . . A 222 PHE HB3 . 18187 1 718 . 1 1 67 67 PHE HD1 H 1 6.851 0.004 . 3 . . . A 222 PHE HD1 . 18187 1 719 . 1 1 67 67 PHE HD2 H 1 6.851 0.004 . 3 . . . A 222 PHE HD2 . 18187 1 720 . 1 1 67 67 PHE HE1 H 1 7.403 0.004 . 3 . . . A 222 PHE HE1 . 18187 1 721 . 1 1 67 67 PHE HE2 H 1 7.403 0.004 . 3 . . . A 222 PHE HE2 . 18187 1 722 . 1 1 67 67 PHE HZ H 1 7.242 0.004 . 1 . . . A 222 PHE HZ . 18187 1 723 . 1 1 67 67 PHE C C 13 177.336 0.05 . 1 . . . A 222 PHE C . 18187 1 724 . 1 1 67 67 PHE CA C 13 56.768 0.072 . 1 . . . A 222 PHE CA . 18187 1 725 . 1 1 67 67 PHE CB C 13 36.123 0.07 . 1 . . . A 222 PHE CB . 18187 1 726 . 1 1 67 67 PHE CD1 C 13 129.413 0.05 . 3 . . . A 222 PHE CD1 . 18187 1 727 . 1 1 67 67 PHE CD2 C 13 129.413 0.05 . 3 . . . A 222 PHE CD2 . 18187 1 728 . 1 1 67 67 PHE CE1 C 13 130.862 0.05 . 3 . . . A 222 PHE CE1 . 18187 1 729 . 1 1 67 67 PHE CE2 C 13 130.862 0.05 . 3 . . . A 222 PHE CE2 . 18187 1 730 . 1 1 67 67 PHE CZ C 13 128.151 0.05 . 1 . . . A 222 PHE CZ . 18187 1 731 . 1 1 67 67 PHE N N 15 119.281 0.026 . 1 . . . A 222 PHE N . 18187 1 732 . 1 1 68 68 LYS H H 1 8.557 0.003 . 1 . . . A 223 LYS H . 18187 1 733 . 1 1 68 68 LYS HA H 1 3.699 0.006 . 1 . . . A 223 LYS HA . 18187 1 734 . 1 1 68 68 LYS HB2 H 1 0.921 0.005 . 2 . . . A 223 LYS HB2 . 18187 1 735 . 1 1 68 68 LYS HB3 H 1 1.672 0.01 . 2 . . . A 223 LYS HB3 . 18187 1 736 . 1 1 68 68 LYS HG2 H 1 1.085 0.004 . 2 . . . A 223 LYS HG2 . 18187 1 737 . 1 1 68 68 LYS HG3 H 1 0.251 0.003 . 2 . . . A 223 LYS HG3 . 18187 1 738 . 1 1 68 68 LYS HD2 H 1 0.96 0.009 . 2 . . . A 223 LYS HD2 . 18187 1 739 . 1 1 68 68 LYS HD3 H 1 0.761 0.01 . 2 . . . A 223 LYS HD3 . 18187 1 740 . 1 1 68 68 LYS HE2 H 1 2.323 0.004 . 2 . . . A 223 LYS HE2 . 18187 1 741 . 1 1 68 68 LYS HE3 H 1 2.519 0.005 . 2 . . . A 223 LYS HE3 . 18187 1 742 . 1 1 68 68 LYS C C 13 179.174 0.05 . 1 . . . A 223 LYS C . 18187 1 743 . 1 1 68 68 LYS CA C 13 60.124 0.055 . 1 . . . A 223 LYS CA . 18187 1 744 . 1 1 68 68 LYS CB C 13 31.752 0.037 . 1 . . . A 223 LYS CB . 18187 1 745 . 1 1 68 68 LYS CG C 13 25.306 0.024 . 1 . . . A 223 LYS CG . 18187 1 746 . 1 1 68 68 LYS CD C 13 29.412 0.063 . 1 . . . A 223 LYS CD . 18187 1 747 . 1 1 68 68 LYS CE C 13 42.029 0.03 . 1 . . . A 223 LYS CE . 18187 1 748 . 1 1 68 68 LYS N N 15 122.277 0.047 . 1 . . . A 223 LYS N . 18187 1 749 . 1 1 69 69 GLU H H 1 8.197 0.004 . 1 . . . A 224 GLU H . 18187 1 750 . 1 1 69 69 GLU HA H 1 4.19 0.004 . 1 . . . A 224 GLU HA . 18187 1 751 . 1 1 69 69 GLU HB3 H 1 2.155 0.013 . 1 . . . A 224 GLU HB3 . 18187 1 752 . 1 1 69 69 GLU HG3 H 1 2.402 0.006 . 1 . . . A 224 GLU HG3 . 18187 1 753 . 1 1 69 69 GLU C C 13 179.506 0.05 . 1 . . . A 224 GLU C . 18187 1 754 . 1 1 69 69 GLU CA C 13 58.81 0.076 . 1 . . . A 224 GLU CA . 18187 1 755 . 1 1 69 69 GLU CB C 13 28.855 0.05 . 1 . . . A 224 GLU CB . 18187 1 756 . 1 1 69 69 GLU CG C 13 36.05 0.032 . 1 . . . A 224 GLU CG . 18187 1 757 . 1 1 69 69 GLU N N 15 118.722 0.028 . 1 . . . A 224 GLU N . 18187 1 758 . 1 1 70 70 ALA H H 1 8.38 0.003 . 1 . . . A 225 ALA H . 18187 1 759 . 1 1 70 70 ALA HA H 1 4.314 0.008 . 1 . . . A 225 ALA HA . 18187 1 760 . 1 1 70 70 ALA HB1 H 1 1.821 0.01 . 1 . . . A 225 ALA HB1 . 18187 1 761 . 1 1 70 70 ALA HB2 H 1 1.821 0.01 . 1 . . . A 225 ALA HB2 . 18187 1 762 . 1 1 70 70 ALA HB3 H 1 1.821 0.01 . 1 . . . A 225 ALA HB3 . 18187 1 763 . 1 1 70 70 ALA C C 13 180.478 0.05 . 1 . . . A 225 ALA C . 18187 1 764 . 1 1 70 70 ALA CA C 13 54.969 0.06 . 1 . . . A 225 ALA CA . 18187 1 765 . 1 1 70 70 ALA CB C 13 18.576 0.053 . 1 . . . A 225 ALA CB . 18187 1 766 . 1 1 70 70 ALA N N 15 123.537 0.037 . 1 . . . A 225 ALA N . 18187 1 767 . 1 1 71 71 TRP H H 1 8.875 0.004 . 1 . . . A 226 TRP H . 18187 1 768 . 1 1 71 71 TRP HA H 1 4.375 0.011 . 1 . . . A 226 TRP HA . 18187 1 769 . 1 1 71 71 TRP HB2 H 1 4.125 0.01 . 2 . . . A 226 TRP HB2 . 18187 1 770 . 1 1 71 71 TRP HB3 H 1 3.703 0.011 . 2 . . . A 226 TRP HB3 . 18187 1 771 . 1 1 71 71 TRP HD1 H 1 7.174 0.004 . 1 . . . A 226 TRP HD1 . 18187 1 772 . 1 1 71 71 TRP HE1 H 1 10.516 0.003 . 1 . . . A 226 TRP HE1 . 18187 1 773 . 1 1 71 71 TRP HE3 H 1 7.743 0.004 . 1 . . . A 226 TRP HE3 . 18187 1 774 . 1 1 71 71 TRP HZ2 H 1 7.442 0.004 . 1 . . . A 226 TRP HZ2 . 18187 1 775 . 1 1 71 71 TRP HZ3 H 1 7.135 0.004 . 1 . . . A 226 TRP HZ3 . 18187 1 776 . 1 1 71 71 TRP HH2 H 1 7.25 0.004 . 1 . . . A 226 TRP HH2 . 18187 1 777 . 1 1 71 71 TRP C C 13 178.881 0.05 . 1 . . . A 226 TRP C . 18187 1 778 . 1 1 71 71 TRP CA C 13 62.224 0.009 . 1 . . . A 226 TRP CA . 18187 1 779 . 1 1 71 71 TRP CB C 13 28.559 0.062 . 1 . . . A 226 TRP CB . 18187 1 780 . 1 1 71 71 TRP CD1 C 13 126.17 0.05 . 1 . . . A 226 TRP CD1 . 18187 1 781 . 1 1 71 71 TRP CE3 C 13 120.617 0.05 . 1 . . . A 226 TRP CE3 . 18187 1 782 . 1 1 71 71 TRP CZ2 C 13 114.597 0.05 . 1 . . . A 226 TRP CZ2 . 18187 1 783 . 1 1 71 71 TRP CZ3 C 13 121.434 0.05 . 1 . . . A 226 TRP CZ3 . 18187 1 784 . 1 1 71 71 TRP CH2 C 13 123.761 0.05 . 1 . . . A 226 TRP CH2 . 18187 1 785 . 1 1 71 71 TRP N N 15 119.643 0.024 . 1 . . . A 226 TRP N . 18187 1 786 . 1 1 71 71 TRP NE1 N 15 131.861 0.027 . 1 . . . A 226 TRP NE1 . 18187 1 787 . 1 1 72 72 ARG H H 1 9.063 0.003 . 1 . . . A 227 ARG H . 18187 1 788 . 1 1 72 72 ARG HA H 1 3.274 0.006 . 1 . . . A 227 ARG HA . 18187 1 789 . 1 1 72 72 ARG HB2 H 1 1.847 0.005 . 2 . . . A 227 ARG HB2 . 18187 1 790 . 1 1 72 72 ARG HB3 H 1 1.933 0.003 . 2 . . . A 227 ARG HB3 . 18187 1 791 . 1 1 72 72 ARG HG2 H 1 1.774 0.009 . 2 . . . A 227 ARG HG2 . 18187 1 792 . 1 1 72 72 ARG HG3 H 1 1.648 0.007 . 2 . . . A 227 ARG HG3 . 18187 1 793 . 1 1 72 72 ARG HD3 H 1 3.122 0.003 . 1 . . . A 227 ARG HD3 . 18187 1 794 . 1 1 72 72 ARG HE H 1 7.56 0.004 . 1 . . . A 227 ARG HE . 18187 1 795 . 1 1 72 72 ARG C C 13 177.89 0.05 . 1 . . . A 227 ARG C . 18187 1 796 . 1 1 72 72 ARG CA C 13 58.887 0.049 . 1 . . . A 227 ARG CA . 18187 1 797 . 1 1 72 72 ARG CB C 13 30.018 0.034 . 1 . . . A 227 ARG CB . 18187 1 798 . 1 1 72 72 ARG CG C 13 27.181 0.048 . 1 . . . A 227 ARG CG . 18187 1 799 . 1 1 72 72 ARG CD C 13 43.288 0.036 . 1 . . . A 227 ARG CD . 18187 1 800 . 1 1 72 72 ARG N N 15 120.93 0.042 . 1 . . . A 227 ARG N . 18187 1 801 . 1 1 73 73 SER H H 1 7.864 0.003 . 1 . . . A 228 SER H . 18187 1 802 . 1 1 73 73 SER HA H 1 4.387 0.005 . 1 . . . A 228 SER HA . 18187 1 803 . 1 1 73 73 SER HB3 H 1 4.05 0.01 . 1 . . . A 228 SER HB3 . 18187 1 804 . 1 1 73 73 SER C C 13 174.378 0.003 . 1 . . . A 228 SER C . 18187 1 805 . 1 1 73 73 SER CA C 13 59.594 0.065 . 1 . . . A 228 SER CA . 18187 1 806 . 1 1 73 73 SER CB C 13 63.658 0.069 . 1 . . . A 228 SER CB . 18187 1 807 . 1 1 73 73 SER N N 15 111.563 0.039 . 1 . . . A 228 SER N . 18187 1 808 . 1 1 74 74 SER H H 1 7.665 0.002 . 1 . . . A 229 SER H . 18187 1 809 . 1 1 74 74 SER HA H 1 4.378 0.004 . 1 . . . A 229 SER HA . 18187 1 810 . 1 1 74 74 SER HB3 H 1 3.969 0.005 . 1 . . . A 229 SER HB3 . 18187 1 811 . 1 1 74 74 SER C C 13 172.903 0.013 . 1 . . . A 229 SER C . 18187 1 812 . 1 1 74 74 SER CA C 13 59.516 0.061 . 1 . . . A 229 SER CA . 18187 1 813 . 1 1 74 74 SER CB C 13 64.567 0.046 . 1 . . . A 229 SER CB . 18187 1 814 . 1 1 74 74 SER N N 15 116.808 0.036 . 1 . . . A 229 SER N . 18187 1 815 . 1 1 75 75 PHE H H 1 7.115 0.003 . 1 . . . A 230 PHE H . 18187 1 816 . 1 1 75 75 PHE HA H 1 4.327 0.004 . 1 . . . A 230 PHE HA . 18187 1 817 . 1 1 75 75 PHE HB2 H 1 2.988 0.004 . 2 . . . A 230 PHE HB2 . 18187 1 818 . 1 1 75 75 PHE HB3 H 1 2.81 0.004 . 2 . . . A 230 PHE HB3 . 18187 1 819 . 1 1 75 75 PHE HD1 H 1 7.075 0.004 . 3 . . . A 230 PHE HD1 . 18187 1 820 . 1 1 75 75 PHE HD2 H 1 7.075 0.004 . 3 . . . A 230 PHE HD2 . 18187 1 821 . 1 1 75 75 PHE HE1 H 1 6.646 0.004 . 3 . . . A 230 PHE HE1 . 18187 1 822 . 1 1 75 75 PHE HE2 H 1 6.646 0.004 . 3 . . . A 230 PHE HE2 . 18187 1 823 . 1 1 75 75 PHE HZ H 1 6.987 0.004 . 1 . . . A 230 PHE HZ . 18187 1 824 . 1 1 75 75 PHE C C 13 179.951 0.05 . 1 . . . A 230 PHE C . 18187 1 825 . 1 1 75 75 PHE CA C 13 59.261 0.036 . 1 . . . A 230 PHE CA . 18187 1 826 . 1 1 75 75 PHE CB C 13 40.125 0.05 . 1 . . . A 230 PHE CB . 18187 1 827 . 1 1 75 75 PHE CD1 C 13 132.078 0.05 . 3 . . . A 230 PHE CD1 . 18187 1 828 . 1 1 75 75 PHE CD2 C 13 132.078 0.05 . 3 . . . A 230 PHE CD2 . 18187 1 829 . 1 1 75 75 PHE CE1 C 13 131.087 0.05 . 3 . . . A 230 PHE CE1 . 18187 1 830 . 1 1 75 75 PHE CE2 C 13 131.087 0.05 . 3 . . . A 230 PHE CE2 . 18187 1 831 . 1 1 75 75 PHE CZ C 13 129.023 0.05 . 1 . . . A 230 PHE CZ . 18187 1 832 . 1 1 75 75 PHE N N 15 126.474 0.04 . 1 . . . A 230 PHE N . 18187 1 stop_ save_