data_18371 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18371 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for EB1 C-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-30 _Entry.Accession_date 2012-03-30 _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 Teppei Kanaba . . . 18371 2 Masaki Mishima . . . 18371 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18371 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 177 18371 '15N chemical shifts' 67 18371 '1H chemical shifts' 67 18371 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 . . 2013-02-11 2012-03-30 update BMRB 'update entry citation' 18371 1 . . 2012-11-15 2012-03-30 original author 'original release' 18371 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18348 'EB1 CH domain' 18371 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18371 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23128140 _Citation.Full_citation . _Citation.Title 'Microtubule-binding sites of the CH domain of EB1 and its autoinhibition revealed by NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1834 _Citation.Journal_issue 2 _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 499 _Citation.Page_last 507 _Citation.Year 2013 _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 Teppei Kanaba . . . 18371 1 2 Ryoko Maesaki . . . 18371 1 3 Tomoyuki Mori . . . 18371 1 4 Yutaka Ito . . . 18371 1 5 Toshio Hakoshima . . . 18371 1 6 Masaki Mishima . . . 18371 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID EB1 18371 1 microtubule 18371 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18371 _Assembly.ID 1 _Assembly.Name 'EB1 C-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'EB1 C-terminal domain' 1 $EB1_C-terminal_domain A . no native no no . . . 18371 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EB1_C-terminal_domain _Entity.Sf_category entity _Entity.Sf_framecode EB1_C-terminal_domain _Entity.Entry_ID 18371 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EB1_C-terminal_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSGDDEAAELMQQVNVL KLTVEDLEKERDFYFGKLRN IELICQENEGENDPVLQRIV DILYATDEGFVIPDEGGPQE EQEEY ; _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 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 1TXQ . "Crystal Structure Of The Eb1 C-Terminal Domain Complexed With The Cap-Gly Domain Of P150glued" . . . . . 97.65 86 97.59 100.00 1.98e-48 . . . . 18371 1 2 no PDB 1WU9 . "Crystal Structure Of The C-Terminal Domain Of The End- Binding Protein 1 (Eb1)" . . . . . 94.12 80 98.75 98.75 7.15e-47 . . . . 18371 1 3 no PDB 2HKQ . "Crystal Structure Of The C-Terminal Domain Of Human Eb1 In Complex With The Cap-Gly Domain Of Human Dynactin-1 (P150-Glued)" . . . . . 94.12 80 98.75 98.75 7.15e-47 . . . . 18371 1 4 no PDB 2HL5 . "Crystal Structure Of The C-Terminal Domain Of Human Eb1 In Complex With The A49m Mutant Cap-Gly Domain Of Human Dynactin-1 (P15" . . . . . 94.12 80 98.75 98.75 7.15e-47 . . . . 18371 1 5 no PDB 2R8U . "Structure Of Fragment Of Human End-Binding Protein 1 (Eb1) Containing The N-Terminal Domain At 1.35 A Resolution" . . . . . 97.65 268 97.59 100.00 5.27e-48 . . . . 18371 1 6 no PDB 3GJO . "Crystal Structure Of Human Eb1 In Complex With Microtubule Tip Localization Signal Peptide Of Macf" . . . . . 84.71 72 98.61 98.61 3.19e-41 . . . . 18371 1 7 no PDB 3TQ7 . "Eb1cEB3C HETERODIMER IN COMPLEX WITH THE CAP-Gly Domain Of P150glued" . . . . . 91.76 78 100.00 100.00 5.77e-46 . . . . 18371 1 8 no DBJ BAE89438 . "unnamed protein product [Macaca fascicularis]" . . . . . 97.65 268 97.59 100.00 4.79e-48 . . . . 18371 1 9 no DBJ BAG35484 . "unnamed protein product [Homo sapiens]" . . . . . 97.65 268 97.59 100.00 5.27e-48 . . . . 18371 1 10 no DBJ BAG59745 . "unnamed protein product [Homo sapiens]" . . . . . 97.65 238 97.59 100.00 1.90e-48 . . . . 18371 1 11 no DBJ BAG73401 . "microtubule-associated protein, RP/EB family, member 1 [synthetic construct]" . . . . . 97.65 268 97.59 100.00 5.27e-48 . . . . 18371 1 12 no EMBL CAH92115 . "hypothetical protein [Pongo abelii]" . . . . . 97.65 268 97.59 100.00 5.10e-48 . . . . 18371 1 13 no GB AAC09471 . "EB1 [Homo sapiens]" . . . . . 97.65 268 97.59 100.00 5.27e-48 . . . . 18371 1 14 no GB AAI06069 . "Microtubule-associated protein, RP/EB family, member 1 [Homo sapiens]" . . . . . 97.65 268 97.59 100.00 5.27e-48 . . . . 18371 1 15 no GB AAI09282 . "Microtubule-associated protein, RP/EB family, member 1 [Homo sapiens]" . . . . . 97.65 268 97.59 100.00 5.27e-48 . . . . 18371 1 16 no GB AAY18920 . "microtubule-associated protein [synthetic construct]" . . . . . 97.65 292 97.59 100.00 5.72e-48 . . . . 18371 1 17 no GB ACE87787 . "microtubule-associated protein, RP/EB family, member 1 protein [synthetic construct]" . . . . . 97.65 268 97.59 100.00 5.27e-48 . . . . 18371 1 18 no REF NP_001126236 . "microtubule-associated protein RP/EB family member 1 [Pongo abelii]" . . . . . 97.65 268 97.59 100.00 5.10e-48 . . . . 18371 1 19 no REF NP_001253729 . "microtubule-associated protein RP/EB family member 1 [Macaca mulatta]" . . . . . 97.65 268 97.59 100.00 4.58e-48 . . . . 18371 1 20 no REF NP_001271003 . "uncharacterized protein LOC101865348 [Macaca fascicularis]" . . . . . 97.65 268 97.59 100.00 4.79e-48 . . . . 18371 1 21 no REF NP_036457 . "microtubule-associated protein RP/EB family member 1 [Homo sapiens]" . . . . . 97.65 268 97.59 100.00 5.27e-48 . . . . 18371 1 22 no REF XP_002710850 . "PREDICTED: microtubule-associated protein RP/EB family member 1 [Oryctolagus cuniculus]" . . . . . 97.65 268 97.59 100.00 6.33e-48 . . . . 18371 1 23 no SP Q15691 . "RecName: Full=Microtubule-associated protein RP/EB family member 1; AltName: Full=APC-binding protein EB1; AltName: Full=End-bi" . . . . . 97.65 268 97.59 100.00 5.27e-48 . . . . 18371 1 24 no SP Q5R7Z5 . "RecName: Full=Microtubule-associated protein RP/EB family member 1; AltName: Full=APC-binding protein EB1; AltName: Full=End-bi" . . . . . 97.65 268 97.59 100.00 5.10e-48 . . . . 18371 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 1 184 GLY . 18371 1 2 185 PRO . 18371 1 3 186 LEU . 18371 1 4 187 GLY . 18371 1 5 188 SER . 18371 1 6 189 GLY . 18371 1 7 190 ASP . 18371 1 8 191 ASP . 18371 1 9 192 GLU . 18371 1 10 193 ALA . 18371 1 11 194 ALA . 18371 1 12 195 GLU . 18371 1 13 196 LEU . 18371 1 14 197 MET . 18371 1 15 198 GLN . 18371 1 16 199 GLN . 18371 1 17 200 VAL . 18371 1 18 201 ASN . 18371 1 19 202 VAL . 18371 1 20 203 LEU . 18371 1 21 204 LYS . 18371 1 22 205 LEU . 18371 1 23 206 THR . 18371 1 24 207 VAL . 18371 1 25 208 GLU . 18371 1 26 209 ASP . 18371 1 27 210 LEU . 18371 1 28 211 GLU . 18371 1 29 212 LYS . 18371 1 30 213 GLU . 18371 1 31 214 ARG . 18371 1 32 215 ASP . 18371 1 33 216 PHE . 18371 1 34 217 TYR . 18371 1 35 218 PHE . 18371 1 36 219 GLY . 18371 1 37 220 LYS . 18371 1 38 221 LEU . 18371 1 39 222 ARG . 18371 1 40 223 ASN . 18371 1 41 224 ILE . 18371 1 42 225 GLU . 18371 1 43 226 LEU . 18371 1 44 227 ILE . 18371 1 45 228 CYS . 18371 1 46 229 GLN . 18371 1 47 230 GLU . 18371 1 48 231 ASN . 18371 1 49 232 GLU . 18371 1 50 233 GLY . 18371 1 51 234 GLU . 18371 1 52 235 ASN . 18371 1 53 236 ASP . 18371 1 54 237 PRO . 18371 1 55 238 VAL . 18371 1 56 239 LEU . 18371 1 57 240 GLN . 18371 1 58 241 ARG . 18371 1 59 242 ILE . 18371 1 60 243 VAL . 18371 1 61 244 ASP . 18371 1 62 245 ILE . 18371 1 63 246 LEU . 18371 1 64 247 TYR . 18371 1 65 248 ALA . 18371 1 66 249 THR . 18371 1 67 250 ASP . 18371 1 68 251 GLU . 18371 1 69 252 GLY . 18371 1 70 253 PHE . 18371 1 71 254 VAL . 18371 1 72 255 ILE . 18371 1 73 256 PRO . 18371 1 74 257 ASP . 18371 1 75 258 GLU . 18371 1 76 259 GLY . 18371 1 77 260 GLY . 18371 1 78 261 PRO . 18371 1 79 262 GLN . 18371 1 80 263 GLU . 18371 1 81 264 GLU . 18371 1 82 265 GLN . 18371 1 83 266 GLU . 18371 1 84 267 GLU . 18371 1 85 268 TYR . 18371 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18371 1 . PRO 2 2 18371 1 . LEU 3 3 18371 1 . GLY 4 4 18371 1 . SER 5 5 18371 1 . GLY 6 6 18371 1 . ASP 7 7 18371 1 . ASP 8 8 18371 1 . GLU 9 9 18371 1 . ALA 10 10 18371 1 . ALA 11 11 18371 1 . GLU 12 12 18371 1 . LEU 13 13 18371 1 . MET 14 14 18371 1 . GLN 15 15 18371 1 . GLN 16 16 18371 1 . VAL 17 17 18371 1 . ASN 18 18 18371 1 . VAL 19 19 18371 1 . LEU 20 20 18371 1 . LYS 21 21 18371 1 . LEU 22 22 18371 1 . THR 23 23 18371 1 . VAL 24 24 18371 1 . GLU 25 25 18371 1 . ASP 26 26 18371 1 . LEU 27 27 18371 1 . GLU 28 28 18371 1 . LYS 29 29 18371 1 . GLU 30 30 18371 1 . ARG 31 31 18371 1 . ASP 32 32 18371 1 . PHE 33 33 18371 1 . TYR 34 34 18371 1 . PHE 35 35 18371 1 . GLY 36 36 18371 1 . LYS 37 37 18371 1 . LEU 38 38 18371 1 . ARG 39 39 18371 1 . ASN 40 40 18371 1 . ILE 41 41 18371 1 . GLU 42 42 18371 1 . LEU 43 43 18371 1 . ILE 44 44 18371 1 . CYS 45 45 18371 1 . GLN 46 46 18371 1 . GLU 47 47 18371 1 . ASN 48 48 18371 1 . GLU 49 49 18371 1 . GLY 50 50 18371 1 . GLU 51 51 18371 1 . ASN 52 52 18371 1 . ASP 53 53 18371 1 . PRO 54 54 18371 1 . VAL 55 55 18371 1 . LEU 56 56 18371 1 . GLN 57 57 18371 1 . ARG 58 58 18371 1 . ILE 59 59 18371 1 . VAL 60 60 18371 1 . ASP 61 61 18371 1 . ILE 62 62 18371 1 . LEU 63 63 18371 1 . TYR 64 64 18371 1 . ALA 65 65 18371 1 . THR 66 66 18371 1 . ASP 67 67 18371 1 . GLU 68 68 18371 1 . GLY 69 69 18371 1 . PHE 70 70 18371 1 . VAL 71 71 18371 1 . ILE 72 72 18371 1 . PRO 73 73 18371 1 . ASP 74 74 18371 1 . GLU 75 75 18371 1 . GLY 76 76 18371 1 . GLY 77 77 18371 1 . PRO 78 78 18371 1 . GLN 79 79 18371 1 . GLU 80 80 18371 1 . GLU 81 81 18371 1 . GLN 82 82 18371 1 . GLU 83 83 18371 1 . GLU 84 84 18371 1 . TYR 85 85 18371 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 18371 _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 $EB1_C-terminal_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18371 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 18371 _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 $EB1_C-terminal_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX6P-3 . . . . . . 18371 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18371 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'EB1 C-terminal domain' '[U-100% 13C; U-100% 15N]' . . 1 $EB1_C-terminal_domain . . 1.0 . . mM . . . . 18371 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18371 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18371 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18371 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.4 . M 18371 1 pH 7.0 . pH 18371 1 pressure 1 . atm 18371 1 temperature 303 . K 18371 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18371 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18371 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18371 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18371 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18371 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18371 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 18371 _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 . . . . . . . . . . . . . . . . 18371 1 2 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18371 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18371 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18371 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18371 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18371 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18371 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 18371 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18371 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18371 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18371 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 18371 _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' . . . 18371 1 2 '3D CBCANH' . . . 18371 1 3 '3D CBCA(CO)NH' . . . 18371 1 4 '3D HNCA' . . . 18371 1 5 '3D HN(CO)CA' . . . 18371 1 6 '3D HN(CA)CO' . . . 18371 1 7 '3D HNCO' . . . 18371 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 7 7 ASP H H 1 8.322 0.04 . 1 . . . . 190 ASP H . 18371 1 2 . 1 1 7 7 ASP C C 13 176.261 0.40 . 1 . . . . 190 ASP C . 18371 1 3 . 1 1 7 7 ASP CA C 13 54.673 0.40 . 1 . . . . 190 ASP CA . 18371 1 4 . 1 1 7 7 ASP CB C 13 41.160 0.40 . 1 . . . . 190 ASP CB . 18371 1 5 . 1 1 7 7 ASP N N 15 122.469 0.40 . 1 . . . . 190 ASP N . 18371 1 6 . 1 1 8 8 ASP H H 1 8.284 0.04 . 1 . . . . 191 ASP H . 18371 1 7 . 1 1 8 8 ASP C C 13 176.790 0.40 . 1 . . . . 191 ASP C . 18371 1 8 . 1 1 8 8 ASP CA C 13 54.505 0.40 . 1 . . . . 191 ASP CA . 18371 1 9 . 1 1 8 8 ASP CB C 13 41.112 0.40 . 1 . . . . 191 ASP CB . 18371 1 10 . 1 1 8 8 ASP N N 15 122.390 0.40 . 1 . . . . 191 ASP N . 18371 1 11 . 1 1 10 10 ALA H H 1 8.344 0.04 . 1 . . . . 193 ALA H . 18371 1 12 . 1 1 10 10 ALA C C 13 178.737 0.40 . 1 . . . . 193 ALA C . 18371 1 13 . 1 1 10 10 ALA CA C 13 54.416 0.40 . 1 . . . . 193 ALA CA . 18371 1 14 . 1 1 10 10 ALA CB C 13 17.798 0.40 . 1 . . . . 193 ALA CB . 18371 1 15 . 1 1 10 10 ALA N N 15 123.745 0.40 . 1 . . . . 193 ALA N . 18371 1 16 . 1 1 11 11 ALA H H 1 7.968 0.04 . 1 . . . . 194 ALA H . 18371 1 17 . 1 1 11 11 ALA C C 13 180.572 0.40 . 1 . . . . 194 ALA C . 18371 1 18 . 1 1 11 11 ALA CA C 13 55.013 0.40 . 1 . . . . 194 ALA CA . 18371 1 19 . 1 1 11 11 ALA CB C 13 17.955 0.40 . 1 . . . . 194 ALA CB . 18371 1 20 . 1 1 11 11 ALA N N 15 122.142 0.40 . 1 . . . . 194 ALA N . 18371 1 21 . 1 1 12 12 GLU H H 1 7.893 0.04 . 1 . . . . 195 GLU H . 18371 1 22 . 1 1 12 12 GLU C C 13 179.431 0.40 . 1 . . . . 195 GLU C . 18371 1 23 . 1 1 12 12 GLU CA C 13 58.555 0.40 . 1 . . . . 195 GLU CA . 18371 1 24 . 1 1 12 12 GLU CB C 13 29.225 0.40 . 1 . . . . 195 GLU CB . 18371 1 25 . 1 1 12 12 GLU N N 15 121.050 0.40 . 1 . . . . 195 GLU N . 18371 1 26 . 1 1 13 13 LEU H H 1 8.105 0.04 . 1 . . . . 196 LEU H . 18371 1 27 . 1 1 13 13 LEU C C 13 178.785 0.40 . 1 . . . . 196 LEU C . 18371 1 28 . 1 1 13 13 LEU CA C 13 58.326 0.40 . 1 . . . . 196 LEU CA . 18371 1 29 . 1 1 13 13 LEU CB C 13 43.047 0.40 . 1 . . . . 196 LEU CB . 18371 1 30 . 1 1 13 13 LEU N N 15 123.103 0.40 . 1 . . . . 196 LEU N . 18371 1 31 . 1 1 14 14 MET H H 1 8.443 0.04 . 1 . . . . 197 MET H . 18371 1 32 . 1 1 14 14 MET C C 13 178.481 0.40 . 1 . . . . 197 MET C . 18371 1 33 . 1 1 14 14 MET CA C 13 58.192 0.40 . 1 . . . . 197 MET CA . 18371 1 34 . 1 1 14 14 MET CB C 13 32.169 0.40 . 1 . . . . 197 MET CB . 18371 1 35 . 1 1 14 14 MET N N 15 120.043 0.40 . 1 . . . . 197 MET N . 18371 1 36 . 1 1 15 15 GLN H H 1 7.596 0.04 . 1 . . . . 198 GLN H . 18371 1 37 . 1 1 15 15 GLN C C 13 178.151 0.40 . 1 . . . . 198 GLN C . 18371 1 38 . 1 1 15 15 GLN CA C 13 58.862 0.40 . 1 . . . . 198 GLN CA . 18371 1 39 . 1 1 15 15 GLN CB C 13 27.581 0.40 . 1 . . . . 198 GLN CB . 18371 1 40 . 1 1 15 15 GLN N N 15 120.118 0.40 . 1 . . . . 198 GLN N . 18371 1 41 . 1 1 16 16 GLN H H 1 7.804 0.04 . 1 . . . . 199 GLN H . 18371 1 42 . 1 1 16 16 GLN CA C 13 59.122 0.40 . 1 . . . . 199 GLN CA . 18371 1 43 . 1 1 16 16 GLN CB C 13 28.115 0.40 . 1 . . . . 199 GLN CB . 18371 1 44 . 1 1 16 16 GLN N N 15 121.292 0.40 . 1 . . . . 199 GLN N . 18371 1 45 . 1 1 17 17 VAL H H 1 8.344 0.04 . 1 . . . . 200 VAL H . 18371 1 46 . 1 1 17 17 VAL C C 13 177.127 0.40 . 1 . . . . 200 VAL C . 18371 1 47 . 1 1 17 17 VAL CA C 13 67.557 0.40 . 1 . . . . 200 VAL CA . 18371 1 48 . 1 1 17 17 VAL CB C 13 30.115 0.40 . 1 . . . . 200 VAL CB . 18371 1 49 . 1 1 17 17 VAL N N 15 121.572 0.40 . 1 . . . . 200 VAL N . 18371 1 50 . 1 1 18 18 ASN H H 1 7.990 0.04 . 1 . . . . 201 ASN H . 18371 1 51 . 1 1 18 18 ASN C C 13 179.678 0.40 . 1 . . . . 201 ASN C . 18371 1 52 . 1 1 18 18 ASN CA C 13 57.317 0.40 . 1 . . . . 201 ASN CA . 18371 1 53 . 1 1 18 18 ASN CB C 13 39.976 0.40 . 1 . . . . 201 ASN CB . 18371 1 54 . 1 1 18 18 ASN N N 15 120.015 0.40 . 1 . . . . 201 ASN N . 18371 1 55 . 1 1 19 19 VAL H H 1 7.274 0.04 . 1 . . . . 202 VAL H . 18371 1 56 . 1 1 19 19 VAL C C 13 178.517 0.40 . 1 . . . . 202 VAL C . 18371 1 57 . 1 1 19 19 VAL CA C 13 63.862 0.40 . 1 . . . . 202 VAL CA . 18371 1 58 . 1 1 19 19 VAL N N 15 121.322 0.40 . 1 . . . . 202 VAL N . 18371 1 59 . 1 1 21 21 LYS H H 1 8.736 0.04 . 1 . . . . 204 LYS H . 18371 1 60 . 1 1 21 21 LYS C C 13 179.834 0.40 . 1 . . . . 204 LYS C . 18371 1 61 . 1 1 21 21 LYS CA C 13 60.899 0.40 . 1 . . . . 204 LYS CA . 18371 1 62 . 1 1 21 21 LYS CB C 13 32.228 0.40 . 1 . . . . 204 LYS CB . 18371 1 63 . 1 1 21 21 LYS N N 15 121.171 0.40 . 1 . . . . 204 LYS N . 18371 1 64 . 1 1 22 22 LEU H H 1 7.505 0.04 . 1 . . . . 205 LEU H . 18371 1 65 . 1 1 22 22 LEU C C 13 178.750 0.40 . 1 . . . . 205 LEU C . 18371 1 66 . 1 1 22 22 LEU CA C 13 58.101 0.40 . 1 . . . . 205 LEU CA . 18371 1 67 . 1 1 22 22 LEU CB C 13 41.201 0.40 . 1 . . . . 205 LEU CB . 18371 1 68 . 1 1 22 22 LEU N N 15 121.992 0.40 . 1 . . . . 205 LEU N . 18371 1 69 . 1 1 25 25 GLU H H 1 7.572 0.04 . 1 . . . . 208 GLU H . 18371 1 70 . 1 1 25 25 GLU C C 13 179.521 0.40 . 1 . . . . 208 GLU C . 18371 1 71 . 1 1 25 25 GLU CA C 13 59.626 0.40 . 1 . . . . 208 GLU CA . 18371 1 72 . 1 1 25 25 GLU CB C 13 29.484 0.40 . 1 . . . . 208 GLU CB . 18371 1 73 . 1 1 25 25 GLU N N 15 120.135 0.40 . 1 . . . . 208 GLU N . 18371 1 74 . 1 1 26 26 ASP H H 1 8.066 0.04 . 1 . . . . 209 ASP H . 18371 1 75 . 1 1 26 26 ASP CA C 13 57.463 0.40 . 1 . . . . 209 ASP CA . 18371 1 76 . 1 1 26 26 ASP CB C 13 40.426 0.40 . 1 . . . . 209 ASP CB . 18371 1 77 . 1 1 26 26 ASP N N 15 121.710 0.40 . 1 . . . . 209 ASP N . 18371 1 78 . 1 1 28 28 GLU H H 1 8.895 0.04 . 1 . . . . 211 GLU H . 18371 1 79 . 1 1 28 28 GLU C C 13 178.265 0.40 . 1 . . . . 211 GLU C . 18371 1 80 . 1 1 28 28 GLU CA C 13 60.586 0.40 . 1 . . . . 211 GLU CA . 18371 1 81 . 1 1 28 28 GLU CB C 13 29.728 0.40 . 1 . . . . 211 GLU CB . 18371 1 82 . 1 1 28 28 GLU N N 15 121.796 0.40 . 1 . . . . 211 GLU N . 18371 1 83 . 1 1 29 29 LYS H H 1 7.534 0.04 . 1 . . . . 212 LYS H . 18371 1 84 . 1 1 29 29 LYS C C 13 179.640 0.40 . 1 . . . . 212 LYS C . 18371 1 85 . 1 1 29 29 LYS CA C 13 59.801 0.40 . 1 . . . . 212 LYS CA . 18371 1 86 . 1 1 29 29 LYS CB C 13 32.175 0.40 . 1 . . . . 212 LYS CB . 18371 1 87 . 1 1 29 29 LYS N N 15 119.139 0.40 . 1 . . . . 212 LYS N . 18371 1 88 . 1 1 30 30 GLU H H 1 7.864 0.04 . 1 . . . . 213 GLU H . 18371 1 89 . 1 1 30 30 GLU C C 13 177.440 0.40 . 1 . . . . 213 GLU C . 18371 1 90 . 1 1 30 30 GLU CA C 13 59.743 0.40 . 1 . . . . 213 GLU CA . 18371 1 91 . 1 1 30 30 GLU N N 15 123.408 0.40 . 1 . . . . 213 GLU N . 18371 1 92 . 1 1 31 31 ARG H H 1 8.968 0.04 . 1 . . . . 214 ARG H . 18371 1 93 . 1 1 31 31 ARG C C 13 178.736 0.40 . 1 . . . . 214 ARG C . 18371 1 94 . 1 1 31 31 ARG CA C 13 61.083 0.40 . 1 . . . . 214 ARG CA . 18371 1 95 . 1 1 31 31 ARG N N 15 120.818 0.40 . 1 . . . . 214 ARG N . 18371 1 96 . 1 1 32 32 ASP H H 1 8.800 0.04 . 1 . . . . 215 ASP H . 18371 1 97 . 1 1 32 32 ASP C C 13 178.996 0.40 . 1 . . . . 215 ASP C . 18371 1 98 . 1 1 32 32 ASP CA C 13 57.521 0.40 . 1 . . . . 215 ASP CA . 18371 1 99 . 1 1 32 32 ASP CB C 13 39.465 0.40 . 1 . . . . 215 ASP CB . 18371 1 100 . 1 1 32 32 ASP N N 15 120.853 0.40 . 1 . . . . 215 ASP N . 18371 1 101 . 1 1 33 33 PHE H H 1 8.184 0.04 . 1 . . . . 216 PHE H . 18371 1 102 . 1 1 33 33 PHE CA C 13 60.204 0.40 . 1 . . . . 216 PHE CA . 18371 1 103 . 1 1 33 33 PHE CB C 13 39.078 0.40 . 1 . . . . 216 PHE CB . 18371 1 104 . 1 1 33 33 PHE N N 15 126.548 0.40 . 1 . . . . 216 PHE N . 18371 1 105 . 1 1 34 34 TYR H H 1 8.149 0.04 . 1 . . . . 217 TYR H . 18371 1 106 . 1 1 34 34 TYR C C 13 178.096 0.40 . 1 . . . . 217 TYR C . 18371 1 107 . 1 1 34 34 TYR CA C 13 58.584 0.40 . 1 . . . . 217 TYR CA . 18371 1 108 . 1 1 34 34 TYR N N 15 120.308 0.40 . 1 . . . . 217 TYR N . 18371 1 109 . 1 1 35 35 PHE H H 1 9.130 0.04 . 1 . . . . 218 PHE H . 18371 1 110 . 1 1 35 35 PHE C C 13 177.350 0.40 . 1 . . . . 218 PHE C . 18371 1 111 . 1 1 35 35 PHE CA C 13 61.685 0.40 . 1 . . . . 218 PHE CA . 18371 1 112 . 1 1 35 35 PHE N N 15 122.189 0.40 . 1 . . . . 218 PHE N . 18371 1 113 . 1 1 36 36 GLY H H 1 8.433 0.04 . 1 . . . . 219 GLY H . 18371 1 114 . 1 1 36 36 GLY C C 13 176.660 0.40 . 1 . . . . 219 GLY C . 18371 1 115 . 1 1 36 36 GLY CA C 13 46.921 0.40 . 1 . . . . 219 GLY CA . 18371 1 116 . 1 1 36 36 GLY N N 15 107.122 0.40 . 1 . . . . 219 GLY N . 18371 1 117 . 1 1 37 37 LYS H H 1 7.197 0.04 . 1 . . . . 220 LYS H . 18371 1 118 . 1 1 37 37 LYS C C 13 178.306 0.40 . 1 . . . . 220 LYS C . 18371 1 119 . 1 1 37 37 LYS CA C 13 60.556 0.40 . 1 . . . . 220 LYS CA . 18371 1 120 . 1 1 37 37 LYS N N 15 122.386 0.40 . 1 . . . . 220 LYS N . 18371 1 121 . 1 1 38 38 LEU H H 1 7.502 0.04 . 1 . . . . 221 LEU H . 18371 1 122 . 1 1 38 38 LEU CA C 13 58.160 0.40 . 1 . . . . 221 LEU CA . 18371 1 123 . 1 1 38 38 LEU CB C 13 40.281 0.40 . 1 . . . . 221 LEU CB . 18371 1 124 . 1 1 38 38 LEU N N 15 120.660 0.40 . 1 . . . . 221 LEU N . 18371 1 125 . 1 1 39 39 ARG H H 1 8.121 0.04 . 1 . . . . 222 ARG H . 18371 1 126 . 1 1 39 39 ARG CA C 13 58.313 0.40 . 1 . . . . 222 ARG CA . 18371 1 127 . 1 1 39 39 ARG CB C 13 29.052 0.40 . 1 . . . . 222 ARG CB . 18371 1 128 . 1 1 39 39 ARG N N 15 121.096 0.40 . 1 . . . . 222 ARG N . 18371 1 129 . 1 1 40 40 ASN H H 1 7.736 0.04 . 1 . . . . 223 ASN H . 18371 1 130 . 1 1 40 40 ASN CA C 13 56.190 0.40 . 1 . . . . 223 ASN CA . 18371 1 131 . 1 1 40 40 ASN CB C 13 38.413 0.40 . 1 . . . . 223 ASN CB . 18371 1 132 . 1 1 40 40 ASN N N 15 119.851 0.40 . 1 . . . . 223 ASN N . 18371 1 133 . 1 1 41 41 ILE H H 1 8.319 0.04 . 1 . . . . 224 ILE H . 18371 1 134 . 1 1 41 41 ILE C C 13 177.180 0.40 . 1 . . . . 224 ILE C . 18371 1 135 . 1 1 41 41 ILE CA C 13 55.952 0.40 . 1 . . . . 224 ILE CA . 18371 1 136 . 1 1 41 41 ILE CB C 13 38.254 0.40 . 1 . . . . 224 ILE CB . 18371 1 137 . 1 1 41 41 ILE N N 15 124.166 0.40 . 1 . . . . 224 ILE N . 18371 1 138 . 1 1 42 42 GLU H H 1 8.573 0.04 . 1 . . . . 225 GLU H . 18371 1 139 . 1 1 42 42 GLU C C 13 178.242 0.40 . 1 . . . . 225 GLU C . 18371 1 140 . 1 1 42 42 GLU CA C 13 60.372 0.40 . 1 . . . . 225 GLU CA . 18371 1 141 . 1 1 42 42 GLU CB C 13 29.260 0.40 . 1 . . . . 225 GLU CB . 18371 1 142 . 1 1 42 42 GLU N N 15 124.773 0.40 . 1 . . . . 225 GLU N . 18371 1 143 . 1 1 43 43 LEU H H 1 7.644 0.04 . 1 . . . . 226 LEU H . 18371 1 144 . 1 1 43 43 LEU C C 13 179.612 0.40 . 1 . . . . 226 LEU C . 18371 1 145 . 1 1 43 43 LEU CA C 13 58.374 0.40 . 1 . . . . 226 LEU CA . 18371 1 146 . 1 1 43 43 LEU CB C 13 41.524 0.40 . 1 . . . . 226 LEU CB . 18371 1 147 . 1 1 43 43 LEU N N 15 120.147 0.40 . 1 . . . . 226 LEU N . 18371 1 148 . 1 1 44 44 ILE H H 1 7.374 0.04 . 1 . . . . 227 ILE H . 18371 1 149 . 1 1 44 44 ILE C C 13 179.219 0.40 . 1 . . . . 227 ILE C . 18371 1 150 . 1 1 44 44 ILE CA C 13 64.968 0.40 . 1 . . . . 227 ILE CA . 18371 1 151 . 1 1 44 44 ILE CB C 13 37.400 0.40 . 1 . . . . 227 ILE CB . 18371 1 152 . 1 1 44 44 ILE N N 15 121.683 0.40 . 1 . . . . 227 ILE N . 18371 1 153 . 1 1 45 45 CYS H H 1 8.092 0.04 . 1 . . . . 228 CYS H . 18371 1 154 . 1 1 45 45 CYS C C 13 177.341 0.40 . 1 . . . . 228 CYS C . 18371 1 155 . 1 1 45 45 CYS CA C 13 64.789 0.40 . 1 . . . . 228 CYS CA . 18371 1 156 . 1 1 45 45 CYS CB C 13 26.327 0.40 . 1 . . . . 228 CYS CB . 18371 1 157 . 1 1 45 45 CYS N N 15 120.308 0.40 . 1 . . . . 228 CYS N . 18371 1 158 . 1 1 46 46 GLN H H 1 8.278 0.04 . 1 . . . . 229 GLN H . 18371 1 159 . 1 1 46 46 GLN C C 13 178.526 0.40 . 1 . . . . 229 GLN C . 18371 1 160 . 1 1 46 46 GLN CA C 13 58.385 0.40 . 1 . . . . 229 GLN CA . 18371 1 161 . 1 1 46 46 GLN CB C 13 28.323 0.40 . 1 . . . . 229 GLN CB . 18371 1 162 . 1 1 46 46 GLN N N 15 121.159 0.40 . 1 . . . . 229 GLN N . 18371 1 163 . 1 1 47 47 GLU H H 1 7.915 0.04 . 1 . . . . 230 GLU H . 18371 1 164 . 1 1 47 47 GLU CA C 13 58.274 0.40 . 1 . . . . 230 GLU CA . 18371 1 165 . 1 1 47 47 GLU CB C 13 29.739 0.40 . 1 . . . . 230 GLU CB . 18371 1 166 . 1 1 47 47 GLU N N 15 120.804 0.40 . 1 . . . . 230 GLU N . 18371 1 167 . 1 1 48 48 ASN H H 1 7.349 0.04 . 1 . . . . 231 ASN H . 18371 1 168 . 1 1 48 48 ASN C C 13 174.583 0.40 . 1 . . . . 231 ASN C . 18371 1 169 . 1 1 48 48 ASN CA C 13 53.454 0.40 . 1 . . . . 231 ASN CA . 18371 1 170 . 1 1 48 48 ASN CB C 13 40.446 0.40 . 1 . . . . 231 ASN CB . 18371 1 171 . 1 1 48 48 ASN N N 15 117.480 0.40 . 1 . . . . 231 ASN N . 18371 1 172 . 1 1 49 49 GLU H H 1 7.734 0.04 . 1 . . . . 232 GLU H . 18371 1 173 . 1 1 49 49 GLU C C 13 177.415 0.40 . 1 . . . . 232 GLU C . 18371 1 174 . 1 1 49 49 GLU CA C 13 58.237 0.40 . 1 . . . . 232 GLU CA . 18371 1 175 . 1 1 49 49 GLU CB C 13 29.350 0.40 . 1 . . . . 232 GLU CB . 18371 1 176 . 1 1 49 49 GLU N N 15 123.603 0.40 . 1 . . . . 232 GLU N . 18371 1 177 . 1 1 50 50 GLY H H 1 8.593 0.04 . 1 . . . . 233 GLY H . 18371 1 178 . 1 1 50 50 GLY C C 13 174.303 0.40 . 1 . . . . 233 GLY C . 18371 1 179 . 1 1 50 50 GLY CA C 13 45.980 0.40 . 1 . . . . 233 GLY CA . 18371 1 180 . 1 1 50 50 GLY N N 15 110.691 0.40 . 1 . . . . 233 GLY N . 18371 1 181 . 1 1 51 51 GLU H H 1 7.919 0.04 . 1 . . . . 234 GLU H . 18371 1 182 . 1 1 51 51 GLU C C 13 176.498 0.40 . 1 . . . . 234 GLU C . 18371 1 183 . 1 1 51 51 GLU CA C 13 56.484 0.40 . 1 . . . . 234 GLU CA . 18371 1 184 . 1 1 51 51 GLU CB C 13 29.492 0.40 . 1 . . . . 234 GLU CB . 18371 1 185 . 1 1 51 51 GLU N N 15 120.259 0.40 . 1 . . . . 234 GLU N . 18371 1 186 . 1 1 52 52 ASN H H 1 8.249 0.04 . 1 . . . . 235 ASN H . 18371 1 187 . 1 1 52 52 ASN C C 13 174.451 0.40 . 1 . . . . 235 ASN C . 18371 1 188 . 1 1 52 52 ASN CA C 13 53.382 0.40 . 1 . . . . 235 ASN CA . 18371 1 189 . 1 1 52 52 ASN CB C 13 38.115 0.40 . 1 . . . . 235 ASN CB . 18371 1 190 . 1 1 52 52 ASN N N 15 119.689 0.40 . 1 . . . . 235 ASN N . 18371 1 191 . 1 1 53 53 ASP H H 1 8.320 0.04 . 1 . . . . 236 ASP H . 18371 1 192 . 1 1 53 53 ASP CA C 13 52.784 0.40 . 1 . . . . 236 ASP CA . 18371 1 193 . 1 1 53 53 ASP CB C 13 42.695 0.40 . 1 . . . . 236 ASP CB . 18371 1 194 . 1 1 53 53 ASP N N 15 124.238 0.40 . 1 . . . . 236 ASP N . 18371 1 195 . 1 1 55 55 VAL H H 1 8.065 0.04 . 1 . . . . 238 VAL H . 18371 1 196 . 1 1 55 55 VAL C C 13 177.863 0.40 . 1 . . . . 238 VAL C . 18371 1 197 . 1 1 55 55 VAL CA C 13 66.409 0.40 . 1 . . . . 238 VAL CA . 18371 1 198 . 1 1 55 55 VAL N N 15 121.774 0.40 . 1 . . . . 238 VAL N . 18371 1 199 . 1 1 56 56 LEU H H 1 7.803 0.04 . 1 . . . . 239 LEU H . 18371 1 200 . 1 1 56 56 LEU C C 13 179.441 0.40 . 1 . . . . 239 LEU C . 18371 1 201 . 1 1 56 56 LEU CA C 13 57.801 0.40 . 1 . . . . 239 LEU CA . 18371 1 202 . 1 1 56 56 LEU CB C 13 40.652 0.40 . 1 . . . . 239 LEU CB . 18371 1 203 . 1 1 56 56 LEU N N 15 121.064 0.40 . 1 . . . . 239 LEU N . 18371 1 204 . 1 1 57 57 GLN H H 1 8.185 0.04 . 1 . . . . 240 GLN H . 18371 1 205 . 1 1 57 57 GLN C C 13 177.763 0.40 . 1 . . . . 240 GLN C . 18371 1 206 . 1 1 57 57 GLN CA C 13 58.603 0.40 . 1 . . . . 240 GLN CA . 18371 1 207 . 1 1 57 57 GLN CB C 13 27.959 0.40 . 1 . . . . 240 GLN CB . 18371 1 208 . 1 1 57 57 GLN N N 15 118.407 0.40 . 1 . . . . 240 GLN N . 18371 1 209 . 1 1 58 58 ARG H H 1 7.323 0.04 . 1 . . . . 241 ARG H . 18371 1 210 . 1 1 58 58 ARG C C 13 179.335 0.40 . 1 . . . . 241 ARG C . 18371 1 211 . 1 1 58 58 ARG CA C 13 59.041 0.40 . 1 . . . . 241 ARG CA . 18371 1 212 . 1 1 58 58 ARG CB C 13 30.385 0.40 . 1 . . . . 241 ARG CB . 18371 1 213 . 1 1 58 58 ARG N N 15 119.699 0.40 . 1 . . . . 241 ARG N . 18371 1 214 . 1 1 61 61 ASP H H 1 7.817 0.04 . 1 . . . . 244 ASP H . 18371 1 215 . 1 1 61 61 ASP C C 13 178.227 0.40 . 1 . . . . 244 ASP C . 18371 1 216 . 1 1 61 61 ASP CA C 13 56.575 0.40 . 1 . . . . 244 ASP CA . 18371 1 217 . 1 1 61 61 ASP CB C 13 37.863 0.40 . 1 . . . . 244 ASP CB . 18371 1 218 . 1 1 61 61 ASP N N 15 119.189 0.40 . 1 . . . . 244 ASP N . 18371 1 219 . 1 1 62 62 ILE H H 1 8.085 0.04 . 1 . . . . 245 ILE H . 18371 1 220 . 1 1 62 62 ILE CA C 13 57.122 0.40 . 1 . . . . 245 ILE CA . 18371 1 221 . 1 1 62 62 ILE CB C 13 38.007 0.40 . 1 . . . . 245 ILE CB . 18371 1 222 . 1 1 62 62 ILE N N 15 121.753 0.40 . 1 . . . . 245 ILE N . 18371 1 223 . 1 1 64 64 TYR H H 1 7.761 0.04 . 1 . . . . 247 TYR H . 18371 1 224 . 1 1 64 64 TYR C C 13 175.925 0.40 . 1 . . . . 247 TYR C . 18371 1 225 . 1 1 64 64 TYR CA C 13 56.943 0.40 . 1 . . . . 247 TYR CA . 18371 1 226 . 1 1 64 64 TYR CB C 13 37.476 0.40 . 1 . . . . 247 TYR CB . 18371 1 227 . 1 1 64 64 TYR N N 15 116.445 0.40 . 1 . . . . 247 TYR N . 18371 1 228 . 1 1 65 65 ALA H H 1 7.304 0.04 . 1 . . . . 248 ALA H . 18371 1 229 . 1 1 65 65 ALA C C 13 178.805 0.40 . 1 . . . . 248 ALA C . 18371 1 230 . 1 1 65 65 ALA CA C 13 53.405 0.40 . 1 . . . . 248 ALA CA . 18371 1 231 . 1 1 65 65 ALA CB C 13 18.924 0.40 . 1 . . . . 248 ALA CB . 18371 1 232 . 1 1 65 65 ALA N N 15 125.876 0.40 . 1 . . . . 248 ALA N . 18371 1 233 . 1 1 66 66 THR H H 1 8.566 0.04 . 1 . . . . 249 THR H . 18371 1 234 . 1 1 66 66 THR C C 13 174.276 0.40 . 1 . . . . 249 THR C . 18371 1 235 . 1 1 66 66 THR CA C 13 61.182 0.40 . 1 . . . . 249 THR CA . 18371 1 236 . 1 1 66 66 THR CB C 13 70.446 0.40 . 1 . . . . 249 THR CB . 18371 1 237 . 1 1 66 66 THR N N 15 115.815 0.40 . 1 . . . . 249 THR N . 18371 1 238 . 1 1 67 67 ASP H H 1 8.322 0.04 . 1 . . . . 250 ASP H . 18371 1 239 . 1 1 67 67 ASP C C 13 176.234 0.40 . 1 . . . . 250 ASP C . 18371 1 240 . 1 1 67 67 ASP CA C 13 54.240 0.40 . 1 . . . . 250 ASP CA . 18371 1 241 . 1 1 67 67 ASP CB C 13 41.213 0.40 . 1 . . . . 250 ASP CB . 18371 1 242 . 1 1 67 67 ASP N N 15 123.263 0.40 . 1 . . . . 250 ASP N . 18371 1 243 . 1 1 68 68 GLU H H 1 8.410 0.04 . 1 . . . . 251 GLU H . 18371 1 244 . 1 1 68 68 GLU C C 13 176.854 0.40 . 1 . . . . 251 GLU C . 18371 1 245 . 1 1 68 68 GLU CA C 13 57.102 0.40 . 1 . . . . 251 GLU CA . 18371 1 246 . 1 1 68 68 GLU CB C 13 29.930 0.40 . 1 . . . . 251 GLU CB . 18371 1 247 . 1 1 68 68 GLU N N 15 123.385 0.40 . 1 . . . . 251 GLU N . 18371 1 248 . 1 1 69 69 GLY H H 1 8.351 0.04 . 1 . . . . 252 GLY H . 18371 1 249 . 1 1 69 69 GLY C C 13 173.554 0.40 . 1 . . . . 252 GLY C . 18371 1 250 . 1 1 69 69 GLY CA C 13 45.225 0.40 . 1 . . . . 252 GLY CA . 18371 1 251 . 1 1 69 69 GLY N N 15 110.970 0.40 . 1 . . . . 252 GLY N . 18371 1 252 . 1 1 70 70 PHE H H 1 7.848 0.04 . 1 . . . . 253 PHE H . 18371 1 253 . 1 1 70 70 PHE C C 13 174.963 0.40 . 1 . . . . 253 PHE C . 18371 1 254 . 1 1 70 70 PHE CA C 13 57.629 0.40 . 1 . . . . 253 PHE CA . 18371 1 255 . 1 1 70 70 PHE CB C 13 39.582 0.40 . 1 . . . . 253 PHE CB . 18371 1 256 . 1 1 70 70 PHE N N 15 121.784 0.40 . 1 . . . . 253 PHE N . 18371 1 257 . 1 1 71 71 VAL H H 1 7.897 0.04 . 1 . . . . 254 VAL H . 18371 1 258 . 1 1 71 71 VAL CA C 13 61.774 0.40 . 1 . . . . 254 VAL CA . 18371 1 259 . 1 1 71 71 VAL CB C 13 32.943 0.40 . 1 . . . . 254 VAL CB . 18371 1 260 . 1 1 71 71 VAL N N 15 125.270 0.40 . 1 . . . . 254 VAL N . 18371 1 261 . 1 1 72 72 ILE H H 1 8.245 0.04 . 1 . . . . 255 ILE H . 18371 1 262 . 1 1 72 72 ILE C C 13 174.480 0.40 . 1 . . . . 255 ILE C . 18371 1 263 . 1 1 72 72 ILE CA C 13 58.569 0.40 . 1 . . . . 255 ILE CA . 18371 1 264 . 1 1 72 72 ILE CB C 13 38.373 0.40 . 1 . . . . 255 ILE CB . 18371 1 265 . 1 1 72 72 ILE N N 15 129.329 0.40 . 1 . . . . 255 ILE N . 18371 1 266 . 1 1 74 74 ASP H H 1 8.296 0.04 . 1 . . . . 257 ASP H . 18371 1 267 . 1 1 74 74 ASP C C 13 176.356 0.40 . 1 . . . . 257 ASP C . 18371 1 268 . 1 1 74 74 ASP CA C 13 54.405 0.40 . 1 . . . . 257 ASP CA . 18371 1 269 . 1 1 74 74 ASP CB C 13 41.184 0.40 . 1 . . . . 257 ASP CB . 18371 1 270 . 1 1 74 74 ASP N N 15 122.883 0.40 . 1 . . . . 257 ASP N . 18371 1 271 . 1 1 75 75 GLU H H 1 8.370 0.04 . 1 . . . . 258 GLU H . 18371 1 272 . 1 1 75 75 GLU C C 13 176.889 0.40 . 1 . . . . 258 GLU C . 18371 1 273 . 1 1 75 75 GLU CA C 13 56.602 0.40 . 1 . . . . 258 GLU CA . 18371 1 274 . 1 1 75 75 GLU CB C 13 30.152 0.40 . 1 . . . . 258 GLU CB . 18371 1 275 . 1 1 75 75 GLU N N 15 123.730 0.40 . 1 . . . . 258 GLU N . 18371 1 276 . 1 1 76 76 GLY H H 1 8.426 0.04 . 1 . . . . 259 GLY H . 18371 1 277 . 1 1 76 76 GLY C C 13 174.284 0.40 . 1 . . . . 259 GLY C . 18371 1 278 . 1 1 76 76 GLY CA C 13 45.195 0.40 . 1 . . . . 259 GLY CA . 18371 1 279 . 1 1 76 76 GLY N N 15 111.591 0.40 . 1 . . . . 259 GLY N . 18371 1 280 . 1 1 77 77 GLY H H 1 8.076 0.04 . 1 . . . . 260 GLY H . 18371 1 281 . 1 1 77 77 GLY C C 13 171.671 0.40 . 1 . . . . 260 GLY C . 18371 1 282 . 1 1 77 77 GLY CA C 13 44.544 0.40 . 1 . . . . 260 GLY CA . 18371 1 283 . 1 1 77 77 GLY N N 15 110.654 0.40 . 1 . . . . 260 GLY N . 18371 1 284 . 1 1 79 79 GLN H H 1 8.489 0.04 . 1 . . . . 262 GLN H . 18371 1 285 . 1 1 79 79 GLN C C 13 175.734 0.40 . 1 . . . . 262 GLN C . 18371 1 286 . 1 1 79 79 GLN CA C 13 55.529 0.40 . 1 . . . . 262 GLN CA . 18371 1 287 . 1 1 79 79 GLN CB C 13 29.431 0.40 . 1 . . . . 262 GLN CB . 18371 1 288 . 1 1 79 79 GLN N N 15 122.880 0.40 . 1 . . . . 262 GLN N . 18371 1 289 . 1 1 80 80 GLU H H 1 8.353 0.04 . 1 . . . . 263 GLU H . 18371 1 290 . 1 1 80 80 GLU C C 13 175.375 0.40 . 1 . . . . 263 GLU C . 18371 1 291 . 1 1 80 80 GLU CA C 13 56.288 0.40 . 1 . . . . 263 GLU CA . 18371 1 292 . 1 1 80 80 GLU CB C 13 30.209 0.40 . 1 . . . . 263 GLU CB . 18371 1 293 . 1 1 80 80 GLU N N 15 124.654 0.40 . 1 . . . . 263 GLU N . 18371 1 294 . 1 1 81 81 GLU H H 1 7.987 0.04 . 1 . . . . 264 GLU H . 18371 1 295 . 1 1 81 81 GLU C C 13 180.983 0.40 . 1 . . . . 264 GLU C . 18371 1 296 . 1 1 81 81 GLU CA C 13 58.044 0.40 . 1 . . . . 264 GLU CA . 18371 1 297 . 1 1 81 81 GLU CB C 13 30.934 0.40 . 1 . . . . 264 GLU CB . 18371 1 298 . 1 1 81 81 GLU N N 15 129.036 0.40 . 1 . . . . 264 GLU N . 18371 1 299 . 1 1 83 83 GLU H H 1 8.394 0.04 . 1 . . . . 266 GLU H . 18371 1 300 . 1 1 83 83 GLU CA C 13 56.174 0.40 . 1 . . . . 266 GLU CA . 18371 1 301 . 1 1 83 83 GLU CB C 13 30.376 0.40 . 1 . . . . 266 GLU CB . 18371 1 302 . 1 1 83 83 GLU N N 15 124.671 0.40 . 1 . . . . 266 GLU N . 18371 1 303 . 1 1 84 84 GLU H H 1 8.263 0.04 . 1 . . . . 267 GLU H . 18371 1 304 . 1 1 84 84 GLU C C 13 174.885 0.40 . 1 . . . . 267 GLU C . 18371 1 305 . 1 1 84 84 GLU CA C 13 56.455 0.40 . 1 . . . . 267 GLU CA . 18371 1 306 . 1 1 84 84 GLU CB C 13 30.396 0.40 . 1 . . . . 267 GLU CB . 18371 1 307 . 1 1 84 84 GLU N N 15 123.940 0.40 . 1 . . . . 267 GLU N . 18371 1 308 . 1 1 85 85 TYR H H 1 7.681 0.04 . 1 . . . . 268 TYR H . 18371 1 309 . 1 1 85 85 TYR CA C 13 59.049 0.40 . 1 . . . . 268 TYR CA . 18371 1 310 . 1 1 85 85 TYR CB C 13 39.405 0.40 . 1 . . . . 268 TYR CB . 18371 1 311 . 1 1 85 85 TYR N N 15 127.769 0.40 . 1 . . . . 268 TYR N . 18371 1 stop_ save_