data_25647 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25647 _Entry.Title ; Backbone and sidechain chemical shift assignment of rat p75NTR transmembrane and intracellular juxtamembrane domains in DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-03 _Entry.Accession_date 2015-06-03 _Entry.Last_release_date 2015-09-16 _Entry.Original_release_date 2015-09-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Konstantin Mineev . S. . 25647 2 Sergey Goncharuk . A. . 25647 3 Alexander Arseniev . S. . 25647 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25647 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 245 25647 '15N chemical shifts' 61 25647 '1H chemical shifts' 412 25647 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-09-16 . original BMRB . 25647 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19673 'Assignment of p75 NTR transmembrane domain in DPC micelles' 25647 BMRB 25646 p75-TMICD/LPN 25647 BMRB 25648 p75-TMDCD/LPN 25647 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25647 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26287629 _Citation.Full_citation . _Citation.Title ; NMR Dynamics of Transmembrane and Intracellular Domains of p75NTR in Lipid-Protein Nanodiscs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 109 _Citation.Journal_issue 4 _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 772 _Citation.Page_last 782 _Citation.Year 2015 _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 Konstantin Mineev . S. . 25647 1 2 Sergey Goncharuk . A. . 25647 1 3 Pavel Kuzmichev . K. . 25647 1 4 Marcal Vilar . . . 25647 1 5 Alexander Arseniev . S. . 25647 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25647 _Assembly.ID 1 _Assembly.Name p75-TMDCD/DPC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 31000 _Assembly.Enzyme_commission_number . _Assembly.Details 'P75-TMDCD in DPC micelles' _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 p75-TMDCD 1 $p75-TMDCD A . yes native no no . . . 25647 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p75-TMDCD _Entity.Sf_category entity _Entity.Sf_framecode p75-TMDCD _Entity.Entry_ID 25647 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p75-TMDCD _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 ; MTRGTTDNLIPVYCSILAAV VVGLVAYIAFKRWNSCKQNK QGANSRPVNQTPPPEGEKLH SDSGI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '244 M - 308I' _Entity.Polymer_author_seq_details 'Sequence numbering corresponds to the Uniprot ID P07174' _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 65 _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 yes UNP P07174 . . . . . . . . . . . . . . . . 25647 1 2 no BMRB 19673 . p75-TM-wt . . . . . 63.08 41 97.56 97.56 1.73e-19 . . . . 25647 1 3 no BMRB 25646 . p75-TMICD . . . . . 98.46 199 100.00 100.00 1.77e-38 . . . . 25647 1 4 no BMRB 25648 . p75-TMDCD . . . . . 100.00 65 100.00 100.00 4.90e-40 . . . . 25647 1 5 no DBJ BAC29775 . "unnamed protein product [Mus musculus]" . . . . . 100.00 417 96.92 98.46 9.57e-36 . . . . 25647 1 6 no DBJ BAG36408 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 427 98.46 100.00 2.19e-36 . . . . 25647 1 7 no DBJ BAG64358 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 333 98.46 100.00 6.14e-37 . . . . 25647 1 8 no EMBL CAA28783 . "unnamed protein product [Rattus norvegicus]" . . . . . 100.00 425 98.46 100.00 1.97e-36 . . . . 25647 1 9 no GB AAB59544 . "nerve growth factor receptor [Homo sapiens]" . . . . . 100.00 427 98.46 100.00 2.19e-36 . . . . 25647 1 10 no GB AAD17943 . "nerve growth factor receptor [Mus musculus]" . . . . . 100.00 417 96.92 98.46 8.55e-36 . . . . 25647 1 11 no GB AAH38365 . "Nerve growth factor receptor (TNFR superfamily, member 16) [Mus musculus]" . . . . . 100.00 427 96.92 98.46 7.80e-36 . . . . 25647 1 12 no GB AAH50309 . "Nerve growth factor receptor (TNFR superfamily, member 16) [Homo sapiens]" . . . . . 100.00 427 98.46 100.00 2.19e-36 . . . . 25647 1 13 no GB AAI42256 . "NGFR protein [Bos taurus]" . . . . . 100.00 429 96.92 98.46 8.88e-36 . . . . 25647 1 14 no PRF 1303336A . "nerve growth factor receptor" . . . . . 100.00 425 98.46 100.00 1.97e-36 . . . . 25647 1 15 no REF NP_001095948 . "tumor necrosis factor receptor superfamily member 16 precursor [Bos taurus]" . . . . . 100.00 429 96.92 98.46 8.88e-36 . . . . 25647 1 16 no REF NP_002498 . "tumor necrosis factor receptor superfamily member 16 precursor [Homo sapiens]" . . . . . 100.00 427 98.46 100.00 2.19e-36 . . . . 25647 1 17 no REF NP_036742 . "tumor necrosis factor receptor superfamily member 16 precursor [Rattus norvegicus]" . . . . . 100.00 425 98.46 100.00 1.76e-36 . . . . 25647 1 18 no REF NP_150086 . "tumor necrosis factor receptor superfamily member 16 precursor [Mus musculus]" . . . . . 100.00 427 96.92 98.46 7.80e-36 . . . . 25647 1 19 no REF XP_001090039 . "PREDICTED: tumor necrosis factor receptor superfamily member 16 [Macaca mulatta]" . . . . . 100.00 427 98.46 100.00 2.02e-36 . . . . 25647 1 20 no SP P07174 . "RecName: Full=Tumor necrosis factor receptor superfamily member 16; AltName: Full=Gp80-LNGFR; AltName: Full=Low affinity neurot" . . . . . 100.00 425 98.46 100.00 1.97e-36 . . . . 25647 1 21 no SP P08138 . "RecName: Full=Tumor necrosis factor receptor superfamily member 16; AltName: Full=Gp80-LNGFR; AltName: Full=Low affinity neurot" . . . . . 100.00 427 98.46 100.00 2.19e-36 . . . . 25647 1 22 no SP Q9Z0W1 . "RecName: Full=Tumor necrosis factor receptor superfamily member 16; AltName: Full=Low affinity neurotrophin receptor p75NTR; Al" . . . . . 100.00 417 96.92 98.46 8.55e-36 . . . . 25647 1 23 no TPG DAA18576 . "TPA: tumor necrosis factor receptor superfamily member 16 [Bos taurus]" . . . . . 100.00 429 96.92 98.46 8.88e-36 . . . . 25647 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Neurotrophin reception' 25647 1 'cell death/survival regulation' 25647 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 1 244 MET . 25647 1 2 245 THR . 25647 1 3 246 ARG . 25647 1 4 247 GLY . 25647 1 5 248 THR . 25647 1 6 249 THR . 25647 1 7 250 ASP . 25647 1 8 251 ASN . 25647 1 9 252 LEU . 25647 1 10 253 ILE . 25647 1 11 254 PRO . 25647 1 12 255 VAL . 25647 1 13 256 TYR . 25647 1 14 257 CYS . 25647 1 15 258 SER . 25647 1 16 259 ILE . 25647 1 17 260 LEU . 25647 1 18 261 ALA . 25647 1 19 262 ALA . 25647 1 20 263 VAL . 25647 1 21 264 VAL . 25647 1 22 265 VAL . 25647 1 23 266 GLY . 25647 1 24 267 LEU . 25647 1 25 268 VAL . 25647 1 26 269 ALA . 25647 1 27 270 TYR . 25647 1 28 271 ILE . 25647 1 29 272 ALA . 25647 1 30 273 PHE . 25647 1 31 274 LYS . 25647 1 32 275 ARG . 25647 1 33 276 TRP . 25647 1 34 277 ASN . 25647 1 35 278 SER . 25647 1 36 279 CYS . 25647 1 37 280 LYS . 25647 1 38 281 GLN . 25647 1 39 282 ASN . 25647 1 40 283 LYS . 25647 1 41 284 GLN . 25647 1 42 285 GLY . 25647 1 43 286 ALA . 25647 1 44 287 ASN . 25647 1 45 288 SER . 25647 1 46 289 ARG . 25647 1 47 290 PRO . 25647 1 48 291 VAL . 25647 1 49 292 ASN . 25647 1 50 293 GLN . 25647 1 51 294 THR . 25647 1 52 295 PRO . 25647 1 53 296 PRO . 25647 1 54 297 PRO . 25647 1 55 298 GLU . 25647 1 56 299 GLY . 25647 1 57 300 GLU . 25647 1 58 301 LYS . 25647 1 59 302 LEU . 25647 1 60 303 HIS . 25647 1 61 304 SER . 25647 1 62 305 ASP . 25647 1 63 306 SER . 25647 1 64 307 GLY . 25647 1 65 308 ILE . 25647 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 . MET 1 1 25647 1 . THR 2 2 25647 1 . ARG 3 3 25647 1 . GLY 4 4 25647 1 . THR 5 5 25647 1 . THR 6 6 25647 1 . ASP 7 7 25647 1 . ASN 8 8 25647 1 . LEU 9 9 25647 1 . ILE 10 10 25647 1 . PRO 11 11 25647 1 . VAL 12 12 25647 1 . TYR 13 13 25647 1 . CYS 14 14 25647 1 . SER 15 15 25647 1 . ILE 16 16 25647 1 . LEU 17 17 25647 1 . ALA 18 18 25647 1 . ALA 19 19 25647 1 . VAL 20 20 25647 1 . VAL 21 21 25647 1 . VAL 22 22 25647 1 . GLY 23 23 25647 1 . LEU 24 24 25647 1 . VAL 25 25 25647 1 . ALA 26 26 25647 1 . TYR 27 27 25647 1 . ILE 28 28 25647 1 . ALA 29 29 25647 1 . PHE 30 30 25647 1 . LYS 31 31 25647 1 . ARG 32 32 25647 1 . TRP 33 33 25647 1 . ASN 34 34 25647 1 . SER 35 35 25647 1 . CYS 36 36 25647 1 . LYS 37 37 25647 1 . GLN 38 38 25647 1 . ASN 39 39 25647 1 . LYS 40 40 25647 1 . GLN 41 41 25647 1 . GLY 42 42 25647 1 . ALA 43 43 25647 1 . ASN 44 44 25647 1 . SER 45 45 25647 1 . ARG 46 46 25647 1 . PRO 47 47 25647 1 . VAL 48 48 25647 1 . ASN 49 49 25647 1 . GLN 50 50 25647 1 . THR 51 51 25647 1 . PRO 52 52 25647 1 . PRO 53 53 25647 1 . PRO 54 54 25647 1 . GLU 55 55 25647 1 . GLY 56 56 25647 1 . GLU 57 57 25647 1 . LYS 58 58 25647 1 . LEU 59 59 25647 1 . HIS 60 60 25647 1 . SER 61 61 25647 1 . ASP 62 62 25647 1 . SER 63 63 25647 1 . GLY 64 64 25647 1 . ILE 65 65 25647 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 25647 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $p75-TMDCD . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 25647 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 25647 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $p75-TMDCD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEMEX-1 . . . 25647 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25647 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 p75-TMDCD '[U-99% 13C; U-99% 15N]' . . 1 $p75-TMDCD . . 0.5 . . mM . . . . 25647 1 2 DPC '[U-99% 2H]' . . . . . . 20 . . mM . . . . 25647 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25647 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25647 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25647 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25647 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 25647 _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' 70 . mM 25647 1 pH 6.5 . pH 25647 1 pressure 1 . atm 25647 1 temperature 313 . K 25647 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25647 _Software.ID 1 _Software.Name CARA _Software.Version 1.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25647 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25647 1 'data analysis' 25647 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 25647 _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 25647 _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 . . . 25647 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 25647 _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 . . . . . . . . . . . . . . . . 25647 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25647 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25647 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25647 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25647 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25647 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25647 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25647 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25647 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25647 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 25647 _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 . . . . . . . . . 25647 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25647 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25647 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 25647 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 3 '3D CBCA(CO)NH' . . . 25647 1 4 '3D HNCA' . . . 25647 1 5 '3D HNCO' . . . 25647 1 6 '3D HNCACB' . . . 25647 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 25647 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 THR H H 1 8.019 0.020 . 1 . . . . 245 THR H . 25647 1 2 . 1 1 2 2 THR HA H 1 4.365 0.020 . 1 . . . . 245 THR HA . 25647 1 3 . 1 1 2 2 THR HB H 1 4.221 0.020 . 1 . . . . 245 THR HB . 25647 1 4 . 1 1 2 2 THR HG21 H 1 1.168 0.020 . 1 . . . . 245 THR HG2 . 25647 1 5 . 1 1 2 2 THR HG22 H 1 1.168 0.020 . 1 . . . . 245 THR HG2 . 25647 1 6 . 1 1 2 2 THR HG23 H 1 1.168 0.020 . 1 . . . . 245 THR HG2 . 25647 1 7 . 1 1 2 2 THR C C 13 174.077 0.3 . 1 . . . . 245 THR C . 25647 1 8 . 1 1 2 2 THR CA C 13 61.486 0.3 . 1 . . . . 245 THR CA . 25647 1 9 . 1 1 2 2 THR CB C 13 69.459 0.3 . 1 . . . . 245 THR CB . 25647 1 10 . 1 1 2 2 THR CG2 C 13 21.355 0.3 . 1 . . . . 245 THR CG2 . 25647 1 11 . 1 1 2 2 THR N N 15 113.829 0.3 . 1 . . . . 245 THR N . 25647 1 12 . 1 1 3 3 ARG H H 1 8.323 0.020 . 1 . . . . 246 ARG H . 25647 1 13 . 1 1 3 3 ARG HA H 1 4.343 0.020 . 1 . . . . 246 ARG HA . 25647 1 14 . 1 1 3 3 ARG HB2 H 1 1.891 0.020 . 2 . . . . 246 ARG HB2 . 25647 1 15 . 1 1 3 3 ARG HB3 H 1 1.787 0.020 . 2 . . . . 246 ARG HB3 . 25647 1 16 . 1 1 3 3 ARG HG2 H 1 1.648 0.020 . 1 . . . . 246 ARG HG2 . 25647 1 17 . 1 1 3 3 ARG HG3 H 1 1.648 0.020 . 1 . . . . 246 ARG HG3 . 25647 1 18 . 1 1 3 3 ARG HD2 H 1 3.181 0.020 . 1 . . . . 246 ARG HD2 . 25647 1 19 . 1 1 3 3 ARG HD3 H 1 3.181 0.020 . 1 . . . . 246 ARG HD3 . 25647 1 20 . 1 1 3 3 ARG HE H 1 7.350 0.020 . 1 . . . . 246 ARG HE . 25647 1 21 . 1 1 3 3 ARG C C 13 176.241 0.3 . 1 . . . . 246 ARG C . 25647 1 22 . 1 1 3 3 ARG CA C 13 56.072 0.3 . 1 . . . . 246 ARG CA . 25647 1 23 . 1 1 3 3 ARG CB C 13 30.496 0.3 . 1 . . . . 246 ARG CB . 25647 1 24 . 1 1 3 3 ARG CG C 13 26.859 0.3 . 1 . . . . 246 ARG CG . 25647 1 25 . 1 1 3 3 ARG CD C 13 43.072 0.3 . 1 . . . . 246 ARG CD . 25647 1 26 . 1 1 3 3 ARG N N 15 122.448 0.3 . 1 . . . . 246 ARG N . 25647 1 27 . 1 1 3 3 ARG NE N 15 84.984 0.3 . 1 . . . . 246 ARG NE . 25647 1 28 . 1 1 4 4 GLY H H 1 8.426 0.020 . 1 . . . . 247 GLY H . 25647 1 29 . 1 1 4 4 GLY HA2 H 1 3.986 0.020 . 1 . . . . 247 GLY HA2 . 25647 1 30 . 1 1 4 4 GLY C C 13 174.001 0.3 . 1 . . . . 247 GLY C . 25647 1 31 . 1 1 4 4 GLY CA C 13 45.093 0.3 . 1 . . . . 247 GLY CA . 25647 1 32 . 1 1 4 4 GLY N N 15 109.485 0.3 . 1 . . . . 247 GLY N . 25647 1 33 . 1 1 5 5 THR H H 1 7.998 0.020 . 1 . . . . 248 THR H . 25647 1 34 . 1 1 5 5 THR HA H 1 4.393 0.020 . 1 . . . . 248 THR HA . 25647 1 35 . 1 1 5 5 THR HB H 1 4.280 0.020 . 1 . . . . 248 THR HB . 25647 1 36 . 1 1 5 5 THR HG1 H 1 4.548 0.020 . 1 . . . . 248 THR HG1 . 25647 1 37 . 1 1 5 5 THR HG21 H 1 1.191 0.020 . 1 . . . . 248 THR HG2 . 25647 1 38 . 1 1 5 5 THR HG22 H 1 1.191 0.020 . 1 . . . . 248 THR HG2 . 25647 1 39 . 1 1 5 5 THR HG23 H 1 1.191 0.020 . 1 . . . . 248 THR HG2 . 25647 1 40 . 1 1 5 5 THR C C 13 174.718 0.3 . 1 . . . . 248 THR C . 25647 1 41 . 1 1 5 5 THR CA C 13 61.853 0.3 . 1 . . . . 248 THR CA . 25647 1 42 . 1 1 5 5 THR CB C 13 69.020 0.3 . 1 . . . . 248 THR CB . 25647 1 43 . 1 1 5 5 THR CG2 C 13 21.446 0.3 . 1 . . . . 248 THR CG2 . 25647 1 44 . 1 1 5 5 THR N N 15 113.235 0.3 . 1 . . . . 248 THR N . 25647 1 45 . 1 1 6 6 THR H H 1 8.073 0.020 . 1 . . . . 249 THR H . 25647 1 46 . 1 1 6 6 THR HA H 1 4.303 0.020 . 1 . . . . 249 THR HA . 25647 1 47 . 1 1 6 6 THR HB H 1 4.283 0.020 . 1 . . . . 249 THR HB . 25647 1 48 . 1 1 6 6 THR HG1 H 1 4.528 0.020 . 1 . . . . 249 THR HG1 . 25647 1 49 . 1 1 6 6 THR HG21 H 1 1.193 0.020 . 1 . . . . 249 THR HG2 . 25647 1 50 . 1 1 6 6 THR HG22 H 1 1.193 0.020 . 1 . . . . 249 THR HG2 . 25647 1 51 . 1 1 6 6 THR HG23 H 1 1.193 0.020 . 1 . . . . 249 THR HG2 . 25647 1 52 . 1 1 6 6 THR C C 13 174.099 0.3 . 1 . . . . 249 THR C . 25647 1 53 . 1 1 6 6 THR CA C 13 62.039 0.3 . 1 . . . . 249 THR CA . 25647 1 54 . 1 1 6 6 THR CB C 13 69.069 0.3 . 1 . . . . 249 THR CB . 25647 1 55 . 1 1 6 6 THR CG2 C 13 21.459 0.3 . 1 . . . . 249 THR CG2 . 25647 1 56 . 1 1 6 6 THR N N 15 114.215 0.3 . 1 . . . . 249 THR N . 25647 1 57 . 1 1 7 7 ASP H H 1 8.199 0.020 . 1 . . . . 250 ASP H . 25647 1 58 . 1 1 7 7 ASP HA H 1 4.545 0.020 . 1 . . . . 250 ASP HA . 25647 1 59 . 1 1 7 7 ASP HB2 H 1 2.681 0.020 . 2 . . . . 250 ASP HB2 . 25647 1 60 . 1 1 7 7 ASP HB3 H 1 2.639 0.020 . 2 . . . . 250 ASP HB3 . 25647 1 61 . 1 1 7 7 ASP C C 13 175.632 0.3 . 1 . . . . 250 ASP C . 25647 1 62 . 1 1 7 7 ASP CA C 13 54.479 0.3 . 1 . . . . 250 ASP CA . 25647 1 63 . 1 1 7 7 ASP CB C 13 40.490 0.3 . 1 . . . . 250 ASP CB . 25647 1 64 . 1 1 7 7 ASP N N 15 121.659 0.3 . 1 . . . . 250 ASP N . 25647 1 65 . 1 1 8 8 ASN H H 1 8.186 0.020 . 1 . . . . 251 ASN H . 25647 1 66 . 1 1 8 8 ASN HA H 1 4.648 0.020 . 1 . . . . 251 ASN HA . 25647 1 67 . 1 1 8 8 ASN HB2 H 1 2.973 0.020 . 2 . . . . 251 ASN HB2 . 25647 1 68 . 1 1 8 8 ASN HB3 H 1 2.806 0.020 . 2 . . . . 251 ASN HB3 . 25647 1 69 . 1 1 8 8 ASN HD21 H 1 7.564 0.020 . 1 . . . . 251 ASN HD21 . 25647 1 70 . 1 1 8 8 ASN HD22 H 1 6.844 0.020 . 1 . . . . 251 ASN HD22 . 25647 1 71 . 1 1 8 8 ASN C C 13 174.816 0.3 . 1 . . . . 251 ASN C . 25647 1 72 . 1 1 8 8 ASN CA C 13 53.127 0.3 . 1 . . . . 251 ASN CA . 25647 1 73 . 1 1 8 8 ASN CB C 13 38.391 0.3 . 1 . . . . 251 ASN CB . 25647 1 74 . 1 1 8 8 ASN N N 15 117.941 0.3 . 1 . . . . 251 ASN N . 25647 1 75 . 1 1 8 8 ASN ND2 N 15 112.152 0.3 . 1 . . . . 251 ASN ND2 . 25647 1 76 . 1 1 9 9 LEU H H 1 8.296 0.020 . 1 . . . . 252 LEU H . 25647 1 77 . 1 1 9 9 LEU HA H 1 4.181 0.020 . 1 . . . . 252 LEU HA . 25647 1 78 . 1 1 9 9 LEU HB2 H 1 1.620 0.020 . 2 . . . . 252 LEU HB2 . 25647 1 79 . 1 1 9 9 LEU HB3 H 1 1.247 0.020 . 2 . . . . 252 LEU HB3 . 25647 1 80 . 1 1 9 9 LEU HG H 1 1.585 0.020 . 1 . . . . 252 LEU HG . 25647 1 81 . 1 1 9 9 LEU HD11 H 1 0.909 0.020 . 2 . . . . 252 LEU HD1 . 25647 1 82 . 1 1 9 9 LEU HD12 H 1 0.909 0.020 . 2 . . . . 252 LEU HD1 . 25647 1 83 . 1 1 9 9 LEU HD13 H 1 0.909 0.020 . 2 . . . . 252 LEU HD1 . 25647 1 84 . 1 1 9 9 LEU HD21 H 1 0.773 0.020 . 2 . . . . 252 LEU HD2 . 25647 1 85 . 1 1 9 9 LEU HD22 H 1 0.773 0.020 . 2 . . . . 252 LEU HD2 . 25647 1 86 . 1 1 9 9 LEU HD23 H 1 0.773 0.020 . 2 . . . . 252 LEU HD2 . 25647 1 87 . 1 1 9 9 LEU C C 13 177.100 0.3 . 1 . . . . 252 LEU C . 25647 1 88 . 1 1 9 9 LEU CA C 13 55.299 0.3 . 1 . . . . 252 LEU CA . 25647 1 89 . 1 1 9 9 LEU CB C 13 42.183 0.3 . 1 . . . . 252 LEU CB . 25647 1 90 . 1 1 9 9 LEU CG C 13 26.747 0.3 . 1 . . . . 252 LEU CG . 25647 1 91 . 1 1 9 9 LEU CD1 C 13 25.081 0.3 . 1 . . . . 252 LEU CD1 . 25647 1 92 . 1 1 9 9 LEU CD2 C 13 23.131 0.3 . 1 . . . . 252 LEU CD2 . 25647 1 93 . 1 1 9 9 LEU N N 15 120.743 0.3 . 1 . . . . 252 LEU N . 25647 1 94 . 1 1 10 10 ILE H H 1 8.021 0.020 . 1 . . . . 253 ILE H . 25647 1 95 . 1 1 10 10 ILE HA H 1 4.169 0.020 . 1 . . . . 253 ILE HA . 25647 1 96 . 1 1 10 10 ILE HB H 1 2.168 0.020 . 1 . . . . 253 ILE HB . 25647 1 97 . 1 1 10 10 ILE HG12 H 1 1.696 0.020 . 2 . . . . 253 ILE HG12 . 25647 1 98 . 1 1 10 10 ILE HG13 H 1 1.267 0.020 . 2 . . . . 253 ILE HG13 . 25647 1 99 . 1 1 10 10 ILE HG21 H 1 0.921 0.020 . 1 . . . . 253 ILE HG2 . 25647 1 100 . 1 1 10 10 ILE HG22 H 1 0.921 0.020 . 1 . . . . 253 ILE HG2 . 25647 1 101 . 1 1 10 10 ILE HG23 H 1 0.921 0.020 . 1 . . . . 253 ILE HG2 . 25647 1 102 . 1 1 10 10 ILE HD11 H 1 0.930 0.020 . 1 . . . . 253 ILE HD1 . 25647 1 103 . 1 1 10 10 ILE HD12 H 1 0.930 0.020 . 1 . . . . 253 ILE HD1 . 25647 1 104 . 1 1 10 10 ILE HD13 H 1 0.930 0.020 . 1 . . . . 253 ILE HD1 . 25647 1 105 . 1 1 10 10 ILE CA C 13 64.920 0.3 . 1 . . . . 253 ILE CA . 25647 1 106 . 1 1 10 10 ILE CB C 13 35.229 0.3 . 1 . . . . 253 ILE CB . 25647 1 107 . 1 1 10 10 ILE CG1 C 13 28.976 0.3 . 1 . . . . 253 ILE CG1 . 25647 1 108 . 1 1 10 10 ILE CG2 C 13 17.695 0.3 . 1 . . . . 253 ILE CG2 . 25647 1 109 . 1 1 10 10 ILE CD1 C 13 12.063 0.3 . 1 . . . . 253 ILE CD1 . 25647 1 110 . 1 1 10 10 ILE N N 15 119.760 0.3 . 1 . . . . 253 ILE N . 25647 1 111 . 1 1 11 11 PRO HA H 1 4.380 0.020 . 1 . . . . 254 PRO HA . 25647 1 112 . 1 1 11 11 PRO HB2 H 1 2.490 0.020 . 2 . . . . 254 PRO HB2 . 25647 1 113 . 1 1 11 11 PRO HB3 H 1 1.879 0.020 . 2 . . . . 254 PRO HB3 . 25647 1 114 . 1 1 11 11 PRO HG2 H 1 2.115 0.020 . 2 . . . . 254 PRO HG2 . 25647 1 115 . 1 1 11 11 PRO HG3 H 1 1.934 0.020 . 2 . . . . 254 PRO HG3 . 25647 1 116 . 1 1 11 11 PRO HD2 H 1 3.719 0.020 . 2 . . . . 254 PRO HD2 . 25647 1 117 . 1 1 11 11 PRO HD3 H 1 3.567 0.020 . 2 . . . . 254 PRO HD3 . 25647 1 118 . 1 1 11 11 PRO CA C 13 64.946 0.3 . 1 . . . . 254 PRO CA . 25647 1 119 . 1 1 11 11 PRO CB C 13 31.591 0.3 . 1 . . . . 254 PRO CB . 25647 1 120 . 1 1 11 11 PRO CG C 13 28.063 0.3 . 1 . . . . 254 PRO CG . 25647 1 121 . 1 1 11 11 PRO CD C 13 49.798 0.3 . 1 . . . . 254 PRO CD . 25647 1 122 . 1 1 12 12 VAL H H 1 7.392 0.020 . 1 . . . . 255 VAL H . 25647 1 123 . 1 1 12 12 VAL HA H 1 3.670 0.020 . 1 . . . . 255 VAL HA . 25647 1 124 . 1 1 12 12 VAL HB H 1 2.154 0.020 . 1 . . . . 255 VAL HB . 25647 1 125 . 1 1 12 12 VAL HG11 H 1 0.987 0.020 . 2 . . . . 255 VAL HG1 . 25647 1 126 . 1 1 12 12 VAL HG12 H 1 0.987 0.020 . 2 . . . . 255 VAL HG1 . 25647 1 127 . 1 1 12 12 VAL HG13 H 1 0.987 0.020 . 2 . . . . 255 VAL HG1 . 25647 1 128 . 1 1 12 12 VAL HG21 H 1 0.843 0.020 . 2 . . . . 255 VAL HG2 . 25647 1 129 . 1 1 12 12 VAL HG22 H 1 0.843 0.020 . 2 . . . . 255 VAL HG2 . 25647 1 130 . 1 1 12 12 VAL HG23 H 1 0.843 0.020 . 2 . . . . 255 VAL HG2 . 25647 1 131 . 1 1 12 12 VAL CA C 13 65.797 0.3 . 1 . . . . 255 VAL CA . 25647 1 132 . 1 1 12 12 VAL CB C 13 31.037 0.3 . 1 . . . . 255 VAL CB . 25647 1 133 . 1 1 12 12 VAL CG1 C 13 22.198 0.3 . 1 . . . . 255 VAL CG1 . 25647 1 134 . 1 1 12 12 VAL CG2 C 13 20.707 0.3 . 1 . . . . 255 VAL CG2 . 25647 1 135 . 1 1 12 12 VAL N N 15 118.422 0.3 . 1 . . . . 255 VAL N . 25647 1 136 . 1 1 13 13 TYR H H 1 8.110 0.020 . 1 . . . . 256 TYR H . 25647 1 137 . 1 1 13 13 TYR HA H 1 4.371 0.020 . 1 . . . . 256 TYR HA . 25647 1 138 . 1 1 13 13 TYR HB2 H 1 3.079 0.020 . 1 . . . . 256 TYR HB2 . 25647 1 139 . 1 1 13 13 TYR HB3 H 1 3.079 0.020 . 1 . . . . 256 TYR HB3 . 25647 1 140 . 1 1 13 13 TYR HD1 H 1 6.901 0.020 . 1 . . . . 256 TYR HD1 . 25647 1 141 . 1 1 13 13 TYR HD2 H 1 6.901 0.020 . 1 . . . . 256 TYR HD2 . 25647 1 142 . 1 1 13 13 TYR HE1 H 1 6.718 0.020 . 1 . . . . 256 TYR HE1 . 25647 1 143 . 1 1 13 13 TYR HE2 H 1 6.718 0.020 . 1 . . . . 256 TYR HE2 . 25647 1 144 . 1 1 13 13 TYR C C 13 177.883 0.3 . 1 . . . . 256 TYR C . 25647 1 145 . 1 1 13 13 TYR CA C 13 59.373 0.3 . 1 . . . . 256 TYR CA . 25647 1 146 . 1 1 13 13 TYR CB C 13 36.999 0.3 . 1 . . . . 256 TYR CB . 25647 1 147 . 1 1 13 13 TYR CD1 C 13 131.052 0.3 . 1 . . . . 256 TYR CD1 . 25647 1 148 . 1 1 13 13 TYR CE1 C 13 117.974 0.3 . 1 . . . . 256 TYR CE1 . 25647 1 149 . 1 1 13 13 TYR N N 15 118.698 0.3 . 1 . . . . 256 TYR N . 25647 1 150 . 1 1 14 14 CYS H H 1 8.344 0.020 . 1 . . . . 257 CYS H . 25647 1 151 . 1 1 14 14 CYS HA H 1 4.050 0.020 . 1 . . . . 257 CYS HA . 25647 1 152 . 1 1 14 14 CYS HB2 H 1 3.017 0.020 . 2 . . . . 257 CYS HB2 . 25647 1 153 . 1 1 14 14 CYS HB3 H 1 2.669 0.020 . 2 . . . . 257 CYS HB3 . 25647 1 154 . 1 1 14 14 CYS C C 13 175.298 0.3 . 1 . . . . 257 CYS C . 25647 1 155 . 1 1 14 14 CYS CA C 13 59.085 0.3 . 1 . . . . 257 CYS CA . 25647 1 156 . 1 1 14 14 CYS CB C 13 41.529 0.3 . 1 . . . . 257 CYS CB . 25647 1 157 . 1 1 14 14 CYS N N 15 115.102 0.3 . 1 . . . . 257 CYS N . 25647 1 158 . 1 1 15 15 SER H H 1 7.764 0.020 . 1 . . . . 258 SER H . 25647 1 159 . 1 1 15 15 SER HA H 1 4.056 0.020 . 1 . . . . 258 SER HA . 25647 1 160 . 1 1 15 15 SER HB2 H 1 3.703 0.020 . 1 . . . . 258 SER HB2 . 25647 1 161 . 1 1 15 15 SER HB3 H 1 3.703 0.020 . 1 . . . . 258 SER HB3 . 25647 1 162 . 1 1 15 15 SER C C 13 174.566 0.3 . 1 . . . . 258 SER C . 25647 1 163 . 1 1 15 15 SER CA C 13 62.793 0.3 . 1 . . . . 258 SER CA . 25647 1 164 . 1 1 15 15 SER CB C 13 62.565 0.3 . 1 . . . . 258 SER CB . 25647 1 165 . 1 1 15 15 SER N N 15 116.284 0.3 . 1 . . . . 258 SER N . 25647 1 166 . 1 1 16 16 ILE H H 1 7.795 0.020 . 1 . . . . 259 ILE H . 25647 1 167 . 1 1 16 16 ILE HA H 1 3.621 0.020 . 1 . . . . 259 ILE HA . 25647 1 168 . 1 1 16 16 ILE HB H 1 1.949 0.020 . 1 . . . . 259 ILE HB . 25647 1 169 . 1 1 16 16 ILE HG12 H 1 1.880 0.020 . 2 . . . . 259 ILE HG12 . 25647 1 170 . 1 1 16 16 ILE HG13 H 1 1.004 0.020 . 2 . . . . 259 ILE HG13 . 25647 1 171 . 1 1 16 16 ILE HG21 H 1 0.849 0.020 . 1 . . . . 259 ILE HG2 . 25647 1 172 . 1 1 16 16 ILE HG22 H 1 0.849 0.020 . 1 . . . . 259 ILE HG2 . 25647 1 173 . 1 1 16 16 ILE HG23 H 1 0.849 0.020 . 1 . . . . 259 ILE HG2 . 25647 1 174 . 1 1 16 16 ILE HD11 H 1 0.831 0.020 . 1 . . . . 259 ILE HD1 . 25647 1 175 . 1 1 16 16 ILE HD12 H 1 0.831 0.020 . 1 . . . . 259 ILE HD1 . 25647 1 176 . 1 1 16 16 ILE HD13 H 1 0.831 0.020 . 1 . . . . 259 ILE HD1 . 25647 1 177 . 1 1 16 16 ILE C C 13 176.676 0.3 . 1 . . . . 259 ILE C . 25647 1 178 . 1 1 16 16 ILE CA C 13 64.905 0.3 . 1 . . . . 259 ILE CA . 25647 1 179 . 1 1 16 16 ILE CB C 13 37.464 0.3 . 1 . . . . 259 ILE CB . 25647 1 180 . 1 1 16 16 ILE CG1 C 13 28.813 0.3 . 1 . . . . 259 ILE CG1 . 25647 1 181 . 1 1 16 16 ILE CG2 C 13 17.008 0.3 . 1 . . . . 259 ILE CG2 . 25647 1 182 . 1 1 16 16 ILE CD1 C 13 13.381 0.3 . 1 . . . . 259 ILE CD1 . 25647 1 183 . 1 1 16 16 ILE N N 15 120.768 0.3 . 1 . . . . 259 ILE N . 25647 1 184 . 1 1 17 17 LEU H H 1 7.878 0.020 . 1 . . . . 260 LEU H . 25647 1 185 . 1 1 17 17 LEU HA H 1 3.893 0.020 . 1 . . . . 260 LEU HA . 25647 1 186 . 1 1 17 17 LEU HB2 H 1 1.701 0.020 . 1 . . . . 260 LEU HB2 . 25647 1 187 . 1 1 17 17 LEU HG H 1 1.691 0.020 . 1 . . . . 260 LEU HG . 25647 1 188 . 1 1 17 17 LEU HD11 H 1 0.830 0.020 . 2 . . . . 260 LEU HD1 . 25647 1 189 . 1 1 17 17 LEU HD12 H 1 0.830 0.020 . 2 . . . . 260 LEU HD1 . 25647 1 190 . 1 1 17 17 LEU HD13 H 1 0.830 0.020 . 2 . . . . 260 LEU HD1 . 25647 1 191 . 1 1 17 17 LEU HD21 H 1 0.852 0.020 . 2 . . . . 260 LEU HD2 . 25647 1 192 . 1 1 17 17 LEU HD22 H 1 0.852 0.020 . 2 . . . . 260 LEU HD2 . 25647 1 193 . 1 1 17 17 LEU HD23 H 1 0.852 0.020 . 2 . . . . 260 LEU HD2 . 25647 1 194 . 1 1 17 17 LEU C C 13 177.492 0.3 . 1 . . . . 260 LEU C . 25647 1 195 . 1 1 17 17 LEU CA C 13 57.952 0.3 . 1 . . . . 260 LEU CA . 25647 1 196 . 1 1 17 17 LEU CB C 13 41.287 0.3 . 1 . . . . 260 LEU CB . 25647 1 197 . 1 1 17 17 LEU CG C 13 26.738 0.3 . 1 . . . . 260 LEU CG . 25647 1 198 . 1 1 17 17 LEU CD1 C 13 24.260 0.3 . 1 . . . . 260 LEU CD1 . 25647 1 199 . 1 1 17 17 LEU CD2 C 13 23.755 0.3 . 1 . . . . 260 LEU CD2 . 25647 1 200 . 1 1 17 17 LEU N N 15 118.475 0.3 . 1 . . . . 260 LEU N . 25647 1 201 . 1 1 18 18 ALA H H 1 8.177 0.020 . 1 . . . . 261 ALA H . 25647 1 202 . 1 1 18 18 ALA HA H 1 3.827 0.020 . 1 . . . . 261 ALA HA . 25647 1 203 . 1 1 18 18 ALA HB1 H 1 1.424 0.020 . 1 . . . . 261 ALA HB . 25647 1 204 . 1 1 18 18 ALA HB2 H 1 1.424 0.020 . 1 . . . . 261 ALA HB . 25647 1 205 . 1 1 18 18 ALA HB3 H 1 1.424 0.020 . 1 . . . . 261 ALA HB . 25647 1 206 . 1 1 18 18 ALA C C 13 177.731 0.3 . 1 . . . . 261 ALA C . 25647 1 207 . 1 1 18 18 ALA CA C 13 55.139 0.3 . 1 . . . . 261 ALA CA . 25647 1 208 . 1 1 18 18 ALA CB C 13 17.571 0.3 . 1 . . . . 261 ALA CB . 25647 1 209 . 1 1 18 18 ALA N N 15 118.794 0.3 . 1 . . . . 261 ALA N . 25647 1 210 . 1 1 19 19 ALA H H 1 7.865 0.020 . 1 . . . . 262 ALA H . 25647 1 211 . 1 1 19 19 ALA HA H 1 3.821 0.020 . 1 . . . . 262 ALA HA . 25647 1 212 . 1 1 19 19 ALA HB1 H 1 1.411 0.020 . 1 . . . . 262 ALA HB . 25647 1 213 . 1 1 19 19 ALA HB2 H 1 1.411 0.020 . 1 . . . . 262 ALA HB . 25647 1 214 . 1 1 19 19 ALA HB3 H 1 1.411 0.020 . 1 . . . . 262 ALA HB . 25647 1 215 . 1 1 19 19 ALA C C 13 178.449 0.3 . 1 . . . . 262 ALA C . 25647 1 216 . 1 1 19 19 ALA CA C 13 55.197 0.3 . 1 . . . . 262 ALA CA . 25647 1 217 . 1 1 19 19 ALA CB C 13 17.629 0.3 . 1 . . . . 262 ALA CB . 25647 1 218 . 1 1 19 19 ALA N N 15 118.477 0.3 . 1 . . . . 262 ALA N . 25647 1 219 . 1 1 20 20 VAL H H 1 8.049 0.020 . 1 . . . . 263 VAL H . 25647 1 220 . 1 1 20 20 VAL HA H 1 3.501 0.020 . 1 . . . . 263 VAL HA . 25647 1 221 . 1 1 20 20 VAL HB H 1 2.255 0.020 . 1 . . . . 263 VAL HB . 25647 1 222 . 1 1 20 20 VAL HG11 H 1 0.985 0.020 . 2 . . . . 263 VAL HG1 . 25647 1 223 . 1 1 20 20 VAL HG12 H 1 0.985 0.020 . 2 . . . . 263 VAL HG1 . 25647 1 224 . 1 1 20 20 VAL HG13 H 1 0.985 0.020 . 2 . . . . 263 VAL HG1 . 25647 1 225 . 1 1 20 20 VAL HG21 H 1 0.820 0.020 . 2 . . . . 263 VAL HG2 . 25647 1 226 . 1 1 20 20 VAL HG22 H 1 0.820 0.020 . 2 . . . . 263 VAL HG2 . 25647 1 227 . 1 1 20 20 VAL HG23 H 1 0.820 0.020 . 2 . . . . 263 VAL HG2 . 25647 1 228 . 1 1 20 20 VAL C C 13 176.785 0.3 . 1 . . . . 263 VAL C . 25647 1 229 . 1 1 20 20 VAL CA C 13 66.388 0.3 . 1 . . . . 263 VAL CA . 25647 1 230 . 1 1 20 20 VAL CB C 13 30.971 0.3 . 1 . . . . 263 VAL CB . 25647 1 231 . 1 1 20 20 VAL CG1 C 13 22.617 0.3 . 1 . . . . 263 VAL CG1 . 25647 1 232 . 1 1 20 20 VAL CG2 C 13 20.782 0.3 . 1 . . . . 263 VAL CG2 . 25647 1 233 . 1 1 20 20 VAL N N 15 116.304 0.3 . 1 . . . . 263 VAL N . 25647 1 234 . 1 1 21 21 VAL H H 1 8.129 0.020 . 1 . . . . 264 VAL H . 25647 1 235 . 1 1 21 21 VAL HA H 1 3.484 0.020 . 1 . . . . 264 VAL HA . 25647 1 236 . 1 1 21 21 VAL HB H 1 2.160 0.020 . 1 . . . . 264 VAL HB . 25647 1 237 . 1 1 21 21 VAL HG11 H 1 0.964 0.020 . 2 . . . . 264 VAL HG1 . 25647 1 238 . 1 1 21 21 VAL HG12 H 1 0.964 0.020 . 2 . . . . 264 VAL HG1 . 25647 1 239 . 1 1 21 21 VAL HG13 H 1 0.964 0.020 . 2 . . . . 264 VAL HG1 . 25647 1 240 . 1 1 21 21 VAL HG21 H 1 0.818 0.020 . 2 . . . . 264 VAL HG2 . 25647 1 241 . 1 1 21 21 VAL HG22 H 1 0.818 0.020 . 2 . . . . 264 VAL HG2 . 25647 1 242 . 1 1 21 21 VAL HG23 H 1 0.818 0.020 . 2 . . . . 264 VAL HG2 . 25647 1 243 . 1 1 21 21 VAL C C 13 176.959 0.3 . 1 . . . . 264 VAL C . 25647 1 244 . 1 1 21 21 VAL CA C 13 67.419 0.3 . 1 . . . . 264 VAL CA . 25647 1 245 . 1 1 21 21 VAL CB C 13 30.850 0.3 . 1 . . . . 264 VAL CB . 25647 1 246 . 1 1 21 21 VAL CG1 C 13 22.685 0.3 . 1 . . . . 264 VAL CG1 . 25647 1 247 . 1 1 21 21 VAL CG2 C 13 20.870 0.3 . 1 . . . . 264 VAL CG2 . 25647 1 248 . 1 1 21 21 VAL N N 15 118.447 0.3 . 1 . . . . 264 VAL N . 25647 1 249 . 1 1 22 22 VAL H H 1 8.363 0.020 . 1 . . . . 265 VAL H . 25647 1 250 . 1 1 22 22 VAL HA H 1 3.426 0.020 . 1 . . . . 265 VAL HA . 25647 1 251 . 1 1 22 22 VAL HB H 1 2.110 0.020 . 1 . . . . 265 VAL HB . 25647 1 252 . 1 1 22 22 VAL HG11 H 1 0.970 0.020 . 2 . . . . 265 VAL HG1 . 25647 1 253 . 1 1 22 22 VAL HG12 H 1 0.970 0.020 . 2 . . . . 265 VAL HG1 . 25647 1 254 . 1 1 22 22 VAL HG13 H 1 0.970 0.020 . 2 . . . . 265 VAL HG1 . 25647 1 255 . 1 1 22 22 VAL HG21 H 1 0.814 0.020 . 2 . . . . 265 VAL HG2 . 25647 1 256 . 1 1 22 22 VAL HG22 H 1 0.814 0.020 . 2 . . . . 265 VAL HG2 . 25647 1 257 . 1 1 22 22 VAL HG23 H 1 0.814 0.020 . 2 . . . . 265 VAL HG2 . 25647 1 258 . 1 1 22 22 VAL C C 13 177.176 0.3 . 1 . . . . 265 VAL C . 25647 1 259 . 1 1 22 22 VAL CA C 13 67.075 0.3 . 1 . . . . 265 VAL CA . 25647 1 260 . 1 1 22 22 VAL CB C 13 30.619 0.3 . 1 . . . . 265 VAL CB . 25647 1 261 . 1 1 22 22 VAL CG1 C 13 22.895 0.3 . 1 . . . . 265 VAL CG1 . 25647 1 262 . 1 1 22 22 VAL CG2 C 13 20.948 0.3 . 1 . . . . 265 VAL CG2 . 25647 1 263 . 1 1 22 22 VAL N N 15 118.070 0.3 . 1 . . . . 265 VAL N . 25647 1 264 . 1 1 23 23 GLY H H 1 8.538 0.020 . 1 . . . . 266 GLY H . 25647 1 265 . 1 1 23 23 GLY HA2 H 1 3.624 0.020 . 2 . . . . 266 GLY HA2 . 25647 1 266 . 1 1 23 23 GLY HA3 H 1 3.539 0.020 . 2 . . . . 266 GLY HA3 . 25647 1 267 . 1 1 23 23 GLY C C 13 174.099 0.3 . 1 . . . . 266 GLY C . 25647 1 268 . 1 1 23 23 GLY CA C 13 47.254 0.3 . 1 . . . . 266 GLY CA . 25647 1 269 . 1 1 23 23 GLY N N 15 106.755 0.3 . 1 . . . . 266 GLY N . 25647 1 270 . 1 1 24 24 LEU H H 1 8.505 0.020 . 1 . . . . 267 LEU H . 25647 1 271 . 1 1 24 24 LEU HA H 1 4.154 0.020 . 1 . . . . 267 LEU HA . 25647 1 272 . 1 1 24 24 LEU HB2 H 1 1.890 0.020 . 2 . . . . 267 LEU HB2 . 25647 1 273 . 1 1 24 24 LEU HB3 H 1 1.687 0.020 . 2 . . . . 267 LEU HB3 . 25647 1 274 . 1 1 24 24 LEU HG H 1 1.831 0.020 . 1 . . . . 267 LEU HG . 25647 1 275 . 1 1 24 24 LEU HD11 H 1 0.883 0.020 . 2 . . . . 267 LEU HD1 . 25647 1 276 . 1 1 24 24 LEU HD12 H 1 0.883 0.020 . 2 . . . . 267 LEU HD1 . 25647 1 277 . 1 1 24 24 LEU HD13 H 1 0.883 0.020 . 2 . . . . 267 LEU HD1 . 25647 1 278 . 1 1 24 24 LEU HD21 H 1 0.842 0.020 . 2 . . . . 267 LEU HD2 . 25647 1 279 . 1 1 24 24 LEU HD22 H 1 0.842 0.020 . 2 . . . . 267 LEU HD2 . 25647 1 280 . 1 1 24 24 LEU HD23 H 1 0.842 0.020 . 2 . . . . 267 LEU HD2 . 25647 1 281 . 1 1 24 24 LEU C C 13 178.416 0.3 . 1 . . . . 267 LEU C . 25647 1 282 . 1 1 24 24 LEU CA C 13 58.118 0.3 . 1 . . . . 267 LEU CA . 25647 1 283 . 1 1 24 24 LEU CB C 13 41.911 0.3 . 1 . . . . 267 LEU CB . 25647 1 284 . 1 1 24 24 LEU CG C 13 26.626 0.3 . 1 . . . . 267 LEU CG . 25647 1 285 . 1 1 24 24 LEU CD1 C 13 24.613 0.3 . 1 . . . . 267 LEU CD1 . 25647 1 286 . 1 1 24 24 LEU CD2 C 13 24.124 0.3 . 1 . . . . 267 LEU CD2 . 25647 1 287 . 1 1 24 24 LEU N N 15 121.505 0.3 . 1 . . . . 267 LEU N . 25647 1 288 . 1 1 25 25 VAL H H 1 8.357 0.020 . 1 . . . . 268 VAL H . 25647 1 289 . 1 1 25 25 VAL HA H 1 3.502 0.020 . 1 . . . . 268 VAL HA . 25647 1 290 . 1 1 25 25 VAL HB H 1 2.221 0.020 . 1 . . . . 268 VAL HB . 25647 1 291 . 1 1 25 25 VAL HG11 H 1 1.034 0.020 . 2 . . . . 268 VAL HG1 . 25647 1 292 . 1 1 25 25 VAL HG12 H 1 1.034 0.020 . 2 . . . . 268 VAL HG1 . 25647 1 293 . 1 1 25 25 VAL HG13 H 1 1.034 0.020 . 2 . . . . 268 VAL HG1 . 25647 1 294 . 1 1 25 25 VAL HG21 H 1 0.883 0.020 . 2 . . . . 268 VAL HG2 . 25647 1 295 . 1 1 25 25 VAL HG22 H 1 0.883 0.020 . 2 . . . . 268 VAL HG2 . 25647 1 296 . 1 1 25 25 VAL HG23 H 1 0.883 0.020 . 2 . . . . 268 VAL HG2 . 25647 1 297 . 1 1 25 25 VAL C C 13 176.992 0.3 . 1 . . . . 268 VAL C . 25647 1 298 . 1 1 25 25 VAL CA C 13 66.991 0.3 . 1 . . . . 268 VAL CA . 25647 1 299 . 1 1 25 25 VAL CB C 13 30.729 0.3 . 1 . . . . 268 VAL CB . 25647 1 300 . 1 1 25 25 VAL CG1 C 13 22.900 0.3 . 1 . . . . 268 VAL CG1 . 25647 1 301 . 1 1 25 25 VAL CG2 C 13 21.263 0.3 . 1 . . . . 268 VAL CG2 . 25647 1 302 . 1 1 25 25 VAL N N 15 118.387 0.3 . 1 . . . . 268 VAL N . 25647 1 303 . 1 1 26 26 ALA H H 1 8.705 0.020 . 1 . . . . 269 ALA H . 25647 1 304 . 1 1 26 26 ALA HA H 1 3.931 0.020 . 1 . . . . 269 ALA HA . 25647 1 305 . 1 1 26 26 ALA HB1 H 1 1.478 0.020 . 1 . . . . 269 ALA HB . 25647 1 306 . 1 1 26 26 ALA HB2 H 1 1.478 0.020 . 1 . . . . 269 ALA HB . 25647 1 307 . 1 1 26 26 ALA HB3 H 1 1.478 0.020 . 1 . . . . 269 ALA HB . 25647 1 308 . 1 1 26 26 ALA C C 13 178.242 0.3 . 1 . . . . 269 ALA C . 25647 1 309 . 1 1 26 26 ALA CA C 13 55.200 0.3 . 1 . . . . 269 ALA CA . 25647 1 310 . 1 1 26 26 ALA CB C 13 17.648 0.3 . 1 . . . . 269 ALA CB . 25647 1 311 . 1 1 26 26 ALA N N 15 121.090 0.3 . 1 . . . . 269 ALA N . 25647 1 312 . 1 1 27 27 TYR H H 1 8.553 0.020 . 1 . . . . 270 TYR H . 25647 1 313 . 1 1 27 27 TYR HA H 1 4.145 0.020 . 1 . . . . 270 TYR HA . 25647 1 314 . 1 1 27 27 TYR HB2 H 1 3.307 0.020 . 2 . . . . 270 TYR HB2 . 25647 1 315 . 1 1 27 27 TYR HB3 H 1 3.150 0.020 . 2 . . . . 270 TYR HB3 . 25647 1 316 . 1 1 27 27 TYR HD1 H 1 6.938 0.020 . 1 . . . . 270 TYR HD1 . 25647 1 317 . 1 1 27 27 TYR HD2 H 1 6.938 0.020 . 1 . . . . 270 TYR HD2 . 25647 1 318 . 1 1 27 27 TYR HE1 H 1 6.755 0.020 . 1 . . . . 270 TYR HE1 . 25647 1 319 . 1 1 27 27 TYR HE2 H 1 6.755 0.020 . 1 . . . . 270 TYR HE2 . 25647 1 320 . 1 1 27 27 TYR C C 13 176.774 0.3 . 1 . . . . 270 TYR C . 25647 1 321 . 1 1 27 27 TYR CA C 13 61.938 0.3 . 1 . . . . 270 TYR CA . 25647 1 322 . 1 1 27 27 TYR CB C 13 38.502 0.3 . 1 . . . . 270 TYR CB . 25647 1 323 . 1 1 27 27 TYR CD1 C 13 132.197 0.3 . 1 . . . . 270 TYR CD1 . 25647 1 324 . 1 1 27 27 TYR CE1 C 13 117.465 0.3 . 1 . . . . 270 TYR CE1 . 25647 1 325 . 1 1 27 27 TYR N N 15 118.161 0.3 . 1 . . . . 270 TYR N . 25647 1 326 . 1 1 28 28 ILE H H 1 8.464 0.020 . 1 . . . . 271 ILE H . 25647 1 327 . 1 1 28 28 ILE HA H 1 3.442 0.020 . 1 . . . . 271 ILE HA . 25647 1 328 . 1 1 28 28 ILE HB H 1 2.025 0.020 . 1 . . . . 271 ILE HB . 25647 1 329 . 1 1 28 28 ILE HG12 H 1 2.012 0.020 . 2 . . . . 271 ILE HG12 . 25647 1 330 . 1 1 28 28 ILE HG13 H 1 1.280 0.020 . 2 . . . . 271 ILE HG13 . 25647 1 331 . 1 1 28 28 ILE HG21 H 1 0.883 0.020 . 1 . . . . 271 ILE HG2 . 25647 1 332 . 1 1 28 28 ILE HG22 H 1 0.883 0.020 . 1 . . . . 271 ILE HG2 . 25647 1 333 . 1 1 28 28 ILE HG23 H 1 0.883 0.020 . 1 . . . . 271 ILE HG2 . 25647 1 334 . 1 1 28 28 ILE HD11 H 1 0.882 0.020 . 1 . . . . 271 ILE HD1 . 25647 1 335 . 1 1 28 28 ILE HD12 H 1 0.882 0.020 . 1 . . . . 271 ILE HD1 . 25647 1 336 . 1 1 28 28 ILE HD13 H 1 0.882 0.020 . 1 . . . . 271 ILE HD1 . 25647 1 337 . 1 1 28 28 ILE C C 13 177.840 0.3 . 1 . . . . 271 ILE C . 25647 1 338 . 1 1 28 28 ILE CA C 13 64.756 0.3 . 1 . . . . 271 ILE CA . 25647 1 339 . 1 1 28 28 ILE CB C 13 37.225 0.3 . 1 . . . . 271 ILE CB . 25647 1 340 . 1 1 28 28 ILE CG1 C 13 28.857 0.3 . 1 . . . . 271 ILE CG1 . 25647 1 341 . 1 1 28 28 ILE CG2 C 13 17.279 0.3 . 1 . . . . 271 ILE CG2 . 25647 1 342 . 1 1 28 28 ILE CD1 C 13 12.854 0.3 . 1 . . . . 271 ILE CD1 . 25647 1 343 . 1 1 28 28 ILE N N 15 118.641 0.3 . 1 . . . . 271 ILE N . 25647 1 344 . 1 1 29 29 ALA H H 1 8.793 0.020 . 1 . . . . 272 ALA H . 25647 1 345 . 1 1 29 29 ALA HA H 1 3.854 0.020 . 1 . . . . 272 ALA HA . 25647 1 346 . 1 1 29 29 ALA HB1 H 1 1.363 0.020 . 1 . . . . 272 ALA HB . 25647 1 347 . 1 1 29 29 ALA HB2 H 1 1.363 0.020 . 1 . . . . 272 ALA HB . 25647 1 348 . 1 1 29 29 ALA HB3 H 1 1.363 0.020 . 1 . . . . 272 ALA HB . 25647 1 349 . 1 1 29 29 ALA C C 13 178.699 0.3 . 1 . . . . 272 ALA C . 25647 1 350 . 1 1 29 29 ALA CA C 13 55.299 0.3 . 1 . . . . 272 ALA CA . 25647 1 351 . 1 1 29 29 ALA CB C 13 17.907 0.3 . 1 . . . . 272 ALA CB . 25647 1 352 . 1 1 29 29 ALA N N 15 122.104 0.3 . 1 . . . . 272 ALA N . 25647 1 353 . 1 1 30 30 PHE H H 1 8.731 0.020 . 1 . . . . 273 PHE H . 25647 1 354 . 1 1 30 30 PHE HA H 1 4.186 0.020 . 1 . . . . 273 PHE HA . 25647 1 355 . 1 1 30 30 PHE HB2 H 1 3.262 0.020 . 2 . . . . 273 PHE HB2 . 25647 1 356 . 1 1 30 30 PHE HB3 H 1 3.193 0.020 . 2 . . . . 273 PHE HB3 . 25647 1 357 . 1 1 30 30 PHE HD1 H 1 7.163 0.020 . 1 . . . . 273 PHE HD1 . 25647 1 358 . 1 1 30 30 PHE HD2 H 1 7.163 0.020 . 1 . . . . 273 PHE HD2 . 25647 1 359 . 1 1 30 30 PHE HE1 H 1 7.334 0.020 . 1 . . . . 273 PHE HE1 . 25647 1 360 . 1 1 30 30 PHE HE2 H 1 7.334 0.020 . 1 . . . . 273 PHE HE2 . 25647 1 361 . 1 1 30 30 PHE HZ H 1 7.296 0.020 . 1 . . . . 273 PHE HZ . 25647 1 362 . 1 1 30 30 PHE C C 13 177.481 0.3 . 1 . . . . 273 PHE C . 25647 1 363 . 1 1 30 30 PHE CA C 13 61.364 0.3 . 1 . . . . 273 PHE CA . 25647 1 364 . 1 1 30 30 PHE CB C 13 38.937 0.3 . 1 . . . . 273 PHE CB . 25647 1 365 . 1 1 30 30 PHE CD1 C 13 131.469 0.3 . 1 . . . . 273 PHE CD1 . 25647 1 366 . 1 1 30 30 PHE CE1 C 13 130.877 0.3 . 1 . . . . 273 PHE CE1 . 25647 1 367 . 1 1 30 30 PHE CZ C 13 129.415 0.3 . 1 . . . . 273 PHE CZ . 25647 1 368 . 1 1 30 30 PHE N N 15 117.878 0.3 . 1 . . . . 273 PHE N . 25647 1 369 . 1 1 31 31 LYS H H 1 8.363 0.020 . 1 . . . . 274 LYS H . 25647 1 370 . 1 1 31 31 LYS HA H 1 3.861 0.020 . 1 . . . . 274 LYS HA . 25647 1 371 . 1 1 31 31 LYS HB2 H 1 1.769 0.020 . 2 . . . . 274 LYS HB2 . 25647 1 372 . 1 1 31 31 LYS HB3 H 1 1.669 0.020 . 2 . . . . 274 LYS HB3 . 25647 1 373 . 1 1 31 31 LYS HG2 H 1 1.256 0.020 . 2 . . . . 274 LYS HG2 . 25647 1 374 . 1 1 31 31 LYS HG3 H 1 1.182 0.020 . 2 . . . . 274 LYS HG3 . 25647 1 375 . 1 1 31 31 LYS HD2 H 1 1.539 0.020 . 1 . . . . 274 LYS HD2 . 25647 1 376 . 1 1 31 31 LYS HD3 H 1 1.539 0.020 . 1 . . . . 274 LYS HD3 . 25647 1 377 . 1 1 31 31 LYS HE2 H 1 2.947 0.020 . 2 . . . . 274 LYS HE2 . 25647 1 378 . 1 1 31 31 LYS HE3 H 1 2.829 0.020 . 2 . . . . 274 LYS HE3 . 25647 1 379 . 1 1 31 31 LYS C C 13 179.221 0.3 . 1 . . . . 274 LYS C . 25647 1 380 . 1 1 31 31 LYS CA C 13 57.831 0.3 . 1 . . . . 274 LYS CA . 25647 1 381 . 1 1 31 31 LYS CB C 13 31.037 0.3 . 1 . . . . 274 LYS CB . 25647 1 382 . 1 1 31 31 LYS CG C 13 23.892 0.3 . 1 . . . . 274 LYS CG . 25647 1 383 . 1 1 31 31 LYS CD C 13 27.790 0.3 . 1 . . . . 274 LYS CD . 25647 1 384 . 1 1 31 31 LYS CE C 13 41.499 0.3 . 1 . . . . 274 LYS CE . 25647 1 385 . 1 1 31 31 LYS N N 15 118.699 0.3 . 1 . . . . 274 LYS N . 25647 1 386 . 1 1 32 32 ARG H H 1 8.244 0.020 . 1 . . . . 275 ARG H . 25647 1 387 . 1 1 32 32 ARG HA H 1 4.131 0.020 . 1 . . . . 275 ARG HA . 25647 1 388 . 1 1 32 32 ARG HB2 H 1 1.858 0.020 . 1 . . . . 275 ARG HB2 . 25647 1 389 . 1 1 32 32 ARG HB3 H 1 1.858 0.020 . 1 . . . . 275 ARG HB3 . 25647 1 390 . 1 1 32 32 ARG HG2 H 1 1.639 0.020 . 1 . . . . 275 ARG HG2 . 25647 1 391 . 1 1 32 32 ARG HG3 H 1 1.639 0.020 . 1 . . . . 275 ARG HG3 . 25647 1 392 . 1 1 32 32 ARG HD2 H 1 3.106 0.020 . 2 . . . . 275 ARG HD2 . 25647 1 393 . 1 1 32 32 ARG HD3 H 1 3.025 0.020 . 2 . . . . 275 ARG HD3 . 25647 1 394 . 1 1 32 32 ARG HE H 1 7.591 0.020 . 1 . . . . 275 ARG HE . 25647 1 395 . 1 1 32 32 ARG C C 13 177.992 0.3 . 1 . . . . 275 ARG C . 25647 1 396 . 1 1 32 32 ARG CA C 13 57.623 0.3 . 1 . . . . 275 ARG CA . 25647 1 397 . 1 1 32 32 ARG CB C 13 29.681 0.3 . 1 . . . . 275 ARG CB . 25647 1 398 . 1 1 32 32 ARG CG C 13 27.162 0.3 . 1 . . . . 275 ARG CG . 25647 1 399 . 1 1 32 32 ARG CD C 13 42.579 0.3 . 1 . . . . 275 ARG CD . 25647 1 400 . 1 1 32 32 ARG N N 15 118.911 0.3 . 1 . . . . 275 ARG N . 25647 1 401 . 1 1 32 32 ARG NE N 15 84.292 0.3 . 1 . . . . 275 ARG NE . 25647 1 402 . 1 1 33 33 TRP H H 1 8.492 0.020 . 1 . . . . 276 TRP H . 25647 1 403 . 1 1 33 33 TRP HA H 1 4.371 0.020 . 1 . . . . 276 TRP HA . 25647 1 404 . 1 1 33 33 TRP HB2 H 1 3.289 0.020 . 1 . . . . 276 TRP HB2 . 25647 1 405 . 1 1 33 33 TRP HB3 H 1 3.289 0.020 . 1 . . . . 276 TRP HB3 . 25647 1 406 . 1 1 33 33 TRP HD1 H 1 7.388 0.020 . 1 . . . . 276 TRP HD1 . 25647 1 407 . 1 1 33 33 TRP HE3 H 1 7.736 0.020 . 1 . . . . 276 TRP HE3 . 25647 1 408 . 1 1 33 33 TRP HZ2 H 1 7.624 0.020 . 1 . . . . 276 TRP HZ2 . 25647 1 409 . 1 1 33 33 TRP HZ3 H 1 7.114 0.020 . 1 . . . . 276 TRP HZ3 . 25647 1 410 . 1 1 33 33 TRP HH2 H 1 7.256 0.020 . 1 . . . . 276 TRP HH2 . 25647 1 411 . 1 1 33 33 TRP C C 13 176.935 0.3 . 1 . . . . 276 TRP C . 25647 1 412 . 1 1 33 33 TRP CA C 13 59.427 0.3 . 1 . . . . 276 TRP CA . 25647 1 413 . 1 1 33 33 TRP CB C 13 28.903 0.3 . 1 . . . . 276 TRP CB . 25647 1 414 . 1 1 33 33 TRP CD1 C 13 126.271 0.3 . 1 . . . . 276 TRP CD1 . 25647 1 415 . 1 1 33 33 TRP CE3 C 13 120.530 0.3 . 1 . . . . 276 TRP CE3 . 25647 1 416 . 1 1 33 33 TRP CZ2 C 13 114.325 0.3 . 1 . . . . 276 TRP CZ2 . 25647 1 417 . 1 1 33 33 TRP CZ3 C 13 121.129 0.3 . 1 . . . . 276 TRP CZ3 . 25647 1 418 . 1 1 33 33 TRP CH2 C 13 123.834 0.3 . 1 . . . . 276 TRP CH2 . 25647 1 419 . 1 1 33 33 TRP N N 15 121.564 0.3 . 1 . . . . 276 TRP N . 25647 1 420 . 1 1 34 34 ASN H H 1 8.171 0.020 . 1 . . . . 277 ASN H . 25647 1 421 . 1 1 34 34 ASN HA H 1 4.274 0.020 . 1 . . . . 277 ASN HA . 25647 1 422 . 1 1 34 34 ASN HB2 H 1 2.545 0.020 . 2 . . . . 277 ASN HB2 . 25647 1 423 . 1 1 34 34 ASN HB3 H 1 2.371 0.020 . 2 . . . . 277 ASN HB3 . 25647 1 424 . 1 1 34 34 ASN HD21 H 1 7.156 0.020 . 1 . . . . 277 ASN HD21 . 25647 1 425 . 1 1 34 34 ASN HD22 H 1 6.468 0.020 . 1 . . . . 277 ASN HD22 . 25647 1 426 . 1 1 34 34 ASN C C 13 175.770 0.3 . 1 . . . . 277 ASN C . 25647 1 427 . 1 1 34 34 ASN CA C 13 54.119 0.3 . 1 . . . . 277 ASN CA . 25647 1 428 . 1 1 34 34 ASN CB C 13 38.987 0.3 . 1 . . . . 277 ASN CB . 25647 1 429 . 1 1 34 34 ASN N N 15 116.950 0.3 . 1 . . . . 277 ASN N . 25647 1 430 . 1 1 34 34 ASN ND2 N 15 112.236 0.3 . 1 . . . . 277 ASN ND2 . 25647 1 431 . 1 1 35 35 SER H H 1 7.767 0.020 . 1 . . . . 278 SER H . 25647 1 432 . 1 1 35 35 SER HA H 1 4.293 0.020 . 1 . . . . 278 SER HA . 25647 1 433 . 1 1 35 35 SER HB2 H 1 3.926 0.020 . 1 . . . . 278 SER HB2 . 25647 1 434 . 1 1 35 35 SER HB3 H 1 3.926 0.020 . 1 . . . . 278 SER HB3 . 25647 1 435 . 1 1 35 35 SER C C 13 174.719 0.3 . 1 . . . . 278 SER C . 25647 1 436 . 1 1 35 35 SER CA C 13 59.312 0.3 . 1 . . . . 278 SER CA . 25647 1 437 . 1 1 35 35 SER CB C 13 63.289 0.3 . 1 . . . . 278 SER CB . 25647 1 438 . 1 1 35 35 SER N N 15 114.670 0.3 . 1 . . . . 278 SER N . 25647 1 439 . 1 1 36 36 CYS H H 1 7.901 0.020 . 1 . . . . 279 CYS H . 25647 1 440 . 1 1 36 36 CYS HA H 1 4.414 0.020 . 1 . . . . 279 CYS HA . 25647 1 441 . 1 1 36 36 CYS HB2 H 1 2.913 0.020 . 1 . . . . 279 CYS HB2 . 25647 1 442 . 1 1 36 36 CYS HB3 H 1 2.913 0.020 . 1 . . . . 279 CYS HB3 . 25647 1 443 . 1 1 36 36 CYS N N 15 119.861 0.3 . 1 . . . . 279 CYS N . 25647 1 444 . 1 1 37 37 LYS H H 1 7.898 0.020 . 1 . . . . 280 LYS H . 25647 1 445 . 1 1 37 37 LYS HA H 1 4.153 0.020 . 1 . . . . 280 LYS HA . 25647 1 446 . 1 1 37 37 LYS HB2 H 1 1.643 0.020 . 1 . . . . 280 LYS HB2 . 25647 1 447 . 1 1 37 37 LYS HB3 H 1 1.643 0.020 . 2 . . . . 280 LYS HB3 . 25647 1 448 . 1 1 37 37 LYS HG2 H 1 1.270 0.020 . 1 . . . . 280 LYS HG2 . 25647 1 449 . 1 1 37 37 LYS HG3 H 1 1.270 0.020 . 1 . . . . 280 LYS HG3 . 25647 1 450 . 1 1 37 37 LYS HD2 H 1 1.535 0.020 . 1 . . . . 280 LYS HD2 . 25647 1 451 . 1 1 37 37 LYS HD3 H 1 1.535 0.020 . 1 . . . . 280 LYS HD3 . 25647 1 452 . 1 1 37 37 LYS HE2 H 1 2.853 0.020 . 1 . . . . 280 LYS HE2 . 25647 1 453 . 1 1 37 37 LYS HE3 H 1 2.853 0.020 . 1 . . . . 280 LYS HE3 . 25647 1 454 . 1 1 37 37 LYS C C 13 176.328 0.3 . 1 . . . . 280 LYS C . 25647 1 455 . 1 1 37 37 LYS CA C 13 56.371 0.3 . 1 . . . . 280 LYS CA . 25647 1 456 . 1 1 37 37 LYS CB C 13 32.250 0.3 . 1 . . . . 280 LYS CB . 25647 1 457 . 1 1 37 37 LYS CG C 13 24.194 0.3 . 1 . . . . 280 LYS CG . 25647 1 458 . 1 1 37 37 LYS CD C 13 28.608 0.3 . 1 . . . . 280 LYS CD . 25647 1 459 . 1 1 37 37 LYS CE C 13 41.759 0.3 . 1 . . . . 280 LYS CE . 25647 1 460 . 1 1 37 37 LYS N N 15 122.103 0.3 . 1 . . . . 280 LYS N . 25647 1 461 . 1 1 38 38 GLN H H 1 8.043 0.020 . 1 . . . . 281 GLN H . 25647 1 462 . 1 1 38 38 GLN HA H 1 4.251 0.020 . 1 . . . . 281 GLN HA . 25647 1 463 . 1 1 38 38 GLN HB2 H 1 2.056 0.020 . 2 . . . . 281 GLN HB2 . 25647 1 464 . 1 1 38 38 GLN HB3 H 1 1.935 0.020 . 2 . . . . 281 GLN HB3 . 25647 1 465 . 1 1 38 38 GLN HG2 H 1 2.315 0.020 . 1 . . . . 281 GLN HG2 . 25647 1 466 . 1 1 38 38 GLN HG3 H 1 2.315 0.020 . 1 . . . . 281 GLN HG3 . 25647 1 467 . 1 1 38 38 GLN C C 13 175.491 0.3 . 1 . . . . 281 GLN C . 25647 1 468 . 1 1 38 38 GLN CA C 13 55.646 0.3 . 1 . . . . 281 GLN CA . 25647 1 469 . 1 1 38 38 GLN CB C 13 29.053 0.3 . 1 . . . . 281 GLN CB . 25647 1 470 . 1 1 38 38 GLN CG C 13 33.505 0.3 . 1 . . . . 281 GLN CG . 25647 1 471 . 1 1 38 38 GLN N N 15 120.041 0.3 . 1 . . . . 281 GLN N . 25647 1 472 . 1 1 40 40 LYS H H 1 8.147 0.020 . 1 . . . . 283 LYS H . 25647 1 473 . 1 1 40 40 LYS HA H 1 4.273 0.020 . 1 . . . . 283 LYS HA . 25647 1 474 . 1 1 40 40 LYS HB2 H 1 1.827 0.020 . 2 . . . . 283 LYS HB2 . 25647 1 475 . 1 1 40 40 LYS HB3 H 1 1.827 0.020 . 1 . . . . 283 LYS HB3 . 25647 1 476 . 1 1 40 40 LYS HG2 H 1 1.391 0.020 . 1 . . . . 283 LYS HG2 . 25647 1 477 . 1 1 40 40 LYS HG3 H 1 1.391 0.020 . 1 . . . . 283 LYS HG3 . 25647 1 478 . 1 1 40 40 LYS HD2 H 1 1.647 0.020 . 1 . . . . 283 LYS HD2 . 25647 1 479 . 1 1 40 40 LYS HD3 H 1 1.647 0.020 . 1 . . . . 283 LYS HD3 . 25647 1 480 . 1 1 40 40 LYS HE2 H 1 2.957 0.020 . 1 . . . . 283 LYS HE2 . 25647 1 481 . 1 1 40 40 LYS HE3 H 1 2.957 0.020 . 1 . . . . 283 LYS HE3 . 25647 1 482 . 1 1 40 40 LYS C C 13 176.154 0.3 . 1 . . . . 283 LYS C . 25647 1 483 . 1 1 40 40 LYS CA C 13 56.078 0.3 . 1 . . . . 283 LYS CA . 25647 1 484 . 1 1 40 40 LYS CB C 13 32.523 0.3 . 1 . . . . 283 LYS CB . 25647 1 485 . 1 1 40 40 LYS CG C 13 24.356 0.3 . 1 . . . . 283 LYS CG . 25647 1 486 . 1 1 40 40 LYS N N 15 121.855 0.3 . 1 . . . . 283 LYS N . 25647 1 487 . 1 1 41 41 GLN H H 1 8.250 0.020 . 1 . . . . 284 GLN H . 25647 1 488 . 1 1 41 41 GLN HA H 1 4.305 0.020 . 1 . . . . 284 GLN HA . 25647 1 489 . 1 1 41 41 GLN HB2 H 1 2.095 0.020 . 2 . . . . 284 GLN HB2 . 25647 1 490 . 1 1 41 41 GLN HB3 H 1 1.984 0.020 . 2 . . . . 284 GLN HB3 . 25647 1 491 . 1 1 41 41 GLN HG2 H 1 2.359 0.020 . 1 . . . . 284 GLN HG2 . 25647 1 492 . 1 1 41 41 GLN HG3 H 1 2.359 0.020 . 1 . . . . 284 GLN HG3 . 25647 1 493 . 1 1 41 41 GLN C C 13 176.143 0.3 . 1 . . . . 284 GLN C . 25647 1 494 . 1 1 41 41 GLN CA C 13 55.775 0.3 . 1 . . . . 284 GLN CA . 25647 1 495 . 1 1 41 41 GLN CB C 13 29.092 0.3 . 1 . . . . 284 GLN CB . 25647 1 496 . 1 1 41 41 GLN CG C 13 33.525 0.3 . 1 . . . . 284 GLN CG . 25647 1 497 . 1 1 41 41 GLN N N 15 121.156 0.3 . 1 . . . . 284 GLN N . 25647 1 498 . 1 1 42 42 GLY H H 1 8.273 0.020 . 1 . . . . 285 GLY H . 25647 1 499 . 1 1 42 42 GLY HA2 H 1 3.944 0.020 . 1 . . . . 285 GLY HA2 . 25647 1 500 . 1 1 42 42 GLY HA3 H 1 3.944 0.020 . 1 . . . . 285 GLY HA3 . 25647 1 501 . 1 1 42 42 GLY C C 13 173.653 0.3 . 1 . . . . 285 GLY C . 25647 1 502 . 1 1 42 42 GLY CA C 13 44.959 0.3 . 1 . . . . 285 GLY CA . 25647 1 503 . 1 1 42 42 GLY N N 15 110.164 0.3 . 1 . . . . 285 GLY N . 25647 1 504 . 1 1 43 43 ALA H H 1 8.092 0.020 . 1 . . . . 286 ALA H . 25647 1 505 . 1 1 43 43 ALA HA H 1 4.286 0.020 . 1 . . . . 286 ALA HA . 25647 1 506 . 1 1 43 43 ALA HB1 H 1 1.359 0.020 . 1 . . . . 286 ALA HB . 25647 1 507 . 1 1 43 43 ALA HB2 H 1 1.359 0.020 . 1 . . . . 286 ALA HB . 25647 1 508 . 1 1 43 43 ALA HB3 H 1 1.359 0.020 . 1 . . . . 286 ALA HB . 25647 1 509 . 1 1 43 43 ALA C C 13 177.296 0.3 . 1 . . . . 286 ALA C . 25647 1 510 . 1 1 43 43 ALA CA C 13 52.404 0.3 . 1 . . . . 286 ALA CA . 25647 1 511 . 1 1 43 43 ALA CB C 13 18.868 0.3 . 1 . . . . 286 ALA CB . 25647 1 512 . 1 1 43 43 ALA N N 15 123.754 0.3 . 1 . . . . 286 ALA N . 25647 1 513 . 1 1 45 45 SER H H 1 8.036 0.020 . 1 . . . . 288 SER H . 25647 1 514 . 1 1 45 45 SER HA H 1 4.400 0.020 . 1 . . . . 288 SER HA . 25647 1 515 . 1 1 45 45 SER HB2 H 1 3.821 0.020 . 1 . . . . 288 SER HB2 . 25647 1 516 . 1 1 45 45 SER HB3 H 1 3.821 0.020 . 1 . . . . 288 SER HB3 . 25647 1 517 . 1 1 45 45 SER C C 13 173.599 0.3 . 1 . . . . 288 SER C . 25647 1 518 . 1 1 45 45 SER CA C 13 58.015 0.3 . 1 . . . . 288 SER CA . 25647 1 519 . 1 1 45 45 SER CB C 13 63.542 0.3 . 1 . . . . 288 SER CB . 25647 1 520 . 1 1 45 45 SER N N 15 115.890 0.3 . 1 . . . . 288 SER N . 25647 1 521 . 1 1 46 46 ARG H H 1 8.101 0.020 . 1 . . . . 289 ARG H . 25647 1 522 . 1 1 46 46 ARG HA H 1 4.621 0.020 . 1 . . . . 289 ARG HA . 25647 1 523 . 1 1 46 46 ARG HB2 H 1 1.804 0.020 . 2 . . . . 289 ARG HB2 . 25647 1 524 . 1 1 46 46 ARG HB3 H 1 1.708 0.020 . 2 . . . . 289 ARG HB3 . 25647 1 525 . 1 1 46 46 ARG HG2 H 1 1.637 0.020 . 1 . . . . 289 ARG HG2 . 25647 1 526 . 1 1 46 46 ARG HG3 H 1 1.637 0.020 . 1 . . . . 289 ARG HG3 . 25647 1 527 . 1 1 46 46 ARG HD2 H 1 3.179 0.020 . 1 . . . . 289 ARG HD2 . 25647 1 528 . 1 1 46 46 ARG HD3 H 1 3.179 0.020 . 1 . . . . 289 ARG HD3 . 25647 1 529 . 1 1 46 46 ARG HE H 1 7.124 0.020 . 1 . . . . 289 ARG HE . 25647 1 530 . 1 1 46 46 ARG C C 13 173.707 0.3 . 1 . . . . 289 ARG C . 25647 1 531 . 1 1 46 46 ARG CA C 13 53.630 0.3 . 1 . . . . 289 ARG CA . 25647 1 532 . 1 1 46 46 ARG CB C 13 30.018 0.3 . 1 . . . . 289 ARG CB . 25647 1 533 . 1 1 46 46 ARG CG C 13 26.462 0.3 . 1 . . . . 289 ARG CG . 25647 1 534 . 1 1 46 46 ARG CD C 13 43.087 0.3 . 1 . . . . 289 ARG CD . 25647 1 535 . 1 1 46 46 ARG N N 15 123.418 0.3 . 1 . . . . 289 ARG N . 25647 1 536 . 1 1 46 46 ARG NE N 15 85.203 0.3 . 1 . . . . 289 ARG NE . 25647 1 537 . 1 1 47 47 PRO HA H 1 4.437 0.020 . 1 . . . . 290 PRO HA . 25647 1 538 . 1 1 47 47 PRO HB2 H 1 2.258 0.020 . 2 . . . . 290 PRO HB2 . 25647 1 539 . 1 1 47 47 PRO HB3 H 1 1.879 0.020 . 2 . . . . 290 PRO HB3 . 25647 1 540 . 1 1 47 47 PRO HG2 H 1 1.995 0.020 . 1 . . . . 290 PRO HG2 . 25647 1 541 . 1 1 47 47 PRO HG3 H 1 1.995 0.020 . 1 . . . . 290 PRO HG3 . 25647 1 542 . 1 1 47 47 PRO HD2 H 1 3.781 0.020 . 2 . . . . 290 PRO HD2 . 25647 1 543 . 1 1 47 47 PRO HD3 H 1 3.583 0.020 . 2 . . . . 290 PRO HD3 . 25647 1 544 . 1 1 47 47 PRO CA C 13 62.738 0.3 . 1 . . . . 290 PRO CA . 25647 1 545 . 1 1 47 47 PRO CB C 13 31.666 0.3 . 1 . . . . 290 PRO CB . 25647 1 546 . 1 1 47 47 PRO CG C 13 27.067 0.3 . 1 . . . . 290 PRO CG . 25647 1 547 . 1 1 47 47 PRO CD C 13 50.266 0.3 . 1 . . . . 290 PRO CD . 25647 1 548 . 1 1 48 48 VAL H H 1 8.098 0.020 . 1 . . . . 291 VAL H . 25647 1 549 . 1 1 48 48 VAL HA H 1 4.062 0.020 . 1 . . . . 291 VAL HA . 25647 1 550 . 1 1 48 48 VAL HB H 1 2.045 0.020 . 1 . . . . 291 VAL HB . 25647 1 551 . 1 1 48 48 VAL HG11 H 1 0.928 0.020 . 2 . . . . 291 VAL HG1 . 25647 1 552 . 1 1 48 48 VAL HG12 H 1 0.928 0.020 . 2 . . . . 291 VAL HG1 . 25647 1 553 . 1 1 48 48 VAL HG13 H 1 0.928 0.020 . 2 . . . . 291 VAL HG1 . 25647 1 554 . 1 1 48 48 VAL HG21 H 1 0.915 0.020 . 2 . . . . 291 VAL HG2 . 25647 1 555 . 1 1 48 48 VAL HG22 H 1 0.915 0.020 . 2 . . . . 291 VAL HG2 . 25647 1 556 . 1 1 48 48 VAL HG23 H 1 0.915 0.020 . 2 . . . . 291 VAL HG2 . 25647 1 557 . 1 1 48 48 VAL C C 13 175.599 0.3 . 1 . . . . 291 VAL C . 25647 1 558 . 1 1 48 48 VAL CA C 13 62.066 0.3 . 1 . . . . 291 VAL CA . 25647 1 559 . 1 1 48 48 VAL CB C 13 32.471 0.3 . 1 . . . . 291 VAL CB . 25647 1 560 . 1 1 48 48 VAL CG1 C 13 20.051 0.3 . 1 . . . . 291 VAL CG1 . 25647 1 561 . 1 1 48 48 VAL CG2 C 13 20.754 0.3 . 1 . . . . 291 VAL CG2 . 25647 1 562 . 1 1 48 48 VAL N N 15 119.818 0.3 . 1 . . . . 291 VAL N . 25647 1 563 . 1 1 50 50 GLN H H 1 8.197 0.020 . 1 . . . . 293 GLN H . 25647 1 564 . 1 1 50 50 GLN HA H 1 4.371 0.020 . 1 . . . . 293 GLN HA . 25647 1 565 . 1 1 50 50 GLN HB2 H 1 2.090 0.020 . 2 . . . . 293 GLN HB2 . 25647 1 566 . 1 1 50 50 GLN HB3 H 1 1.913 0.020 . 2 . . . . 293 GLN HB3 . 25647 1 567 . 1 1 50 50 GLN HG2 H 1 2.305 0.020 . 1 . . . . 293 GLN HG2 . 25647 1 568 . 1 1 50 50 GLN HG3 H 1 2.305 0.020 . 1 . . . . 293 GLN HG3 . 25647 1 569 . 1 1 50 50 GLN C C 13 175.295 0.3 . 1 . . . . 293 GLN C . 25647 1 570 . 1 1 50 50 GLN CA C 13 55.476 0.3 . 1 . . . . 293 GLN CA . 25647 1 571 . 1 1 50 50 GLN CB C 13 29.413 0.3 . 1 . . . . 293 GLN CB . 25647 1 572 . 1 1 50 50 GLN CG C 13 33.525 0.3 . 1 . . . . 293 GLN CG . 25647 1 573 . 1 1 50 50 GLN N N 15 120.911 0.3 . 1 . . . . 293 GLN N . 25647 1 574 . 1 1 51 51 THR H H 1 8.107 0.020 . 1 . . . . 294 THR H . 25647 1 575 . 1 1 51 51 THR HA H 1 4.534 0.020 . 1 . . . . 294 THR HA . 25647 1 576 . 1 1 51 51 THR HB H 1 4.097 0.020 . 1 . . . . 294 THR HB . 25647 1 577 . 1 1 51 51 THR HG21 H 1 1.214 0.020 . 1 . . . . 294 THR HG2 . 25647 1 578 . 1 1 51 51 THR HG22 H 1 1.214 0.020 . 1 . . . . 294 THR HG2 . 25647 1 579 . 1 1 51 51 THR HG23 H 1 1.214 0.020 . 1 . . . . 294 THR HG2 . 25647 1 580 . 1 1 51 51 THR C C 13 171.951 0.3 . 1 . . . . 294 THR C . 25647 1 581 . 1 1 51 51 THR CA C 13 59.620 0.3 . 1 . . . . 294 THR CA . 25647 1 582 . 1 1 51 51 THR CB C 13 69.456 0.3 . 1 . . . . 294 THR CB . 25647 1 583 . 1 1 51 51 THR CG2 C 13 21.134 0.3 . 1 . . . . 294 THR CG2 . 25647 1 584 . 1 1 51 51 THR N N 15 118.362 0.3 . 1 . . . . 294 THR N . 25647 1 585 . 1 1 54 54 PRO HA H 1 4.379 0.020 . 1 . . . . 297 PRO HA . 25647 1 586 . 1 1 54 54 PRO HB2 H 1 2.259 0.020 . 2 . . . . 297 PRO HB2 . 25647 1 587 . 1 1 54 54 PRO HB3 H 1 1.888 0.020 . 2 . . . . 297 PRO HB3 . 25647 1 588 . 1 1 54 54 PRO HG2 H 1 1.999 0.020 . 1 . . . . 297 PRO HG2 . 25647 1 589 . 1 1 54 54 PRO HG3 H 1 1.999 0.020 . 1 . . . . 297 PRO HG3 . 25647 1 590 . 1 1 54 54 PRO HD2 H 1 3.774 0.020 . 2 . . . . 297 PRO HD2 . 25647 1 591 . 1 1 54 54 PRO HD3 H 1 3.618 0.020 . 2 . . . . 297 PRO HD3 . 25647 1 592 . 1 1 54 54 PRO CA C 13 62.837 0.3 . 1 . . . . 297 PRO CA . 25647 1 593 . 1 1 54 54 PRO CB C 13 31.574 0.3 . 1 . . . . 297 PRO CB . 25647 1 594 . 1 1 54 54 PRO CG C 13 27.043 0.3 . 1 . . . . 297 PRO CG . 25647 1 595 . 1 1 54 54 PRO CD C 13 50.055 0.3 . 1 . . . . 297 PRO CD . 25647 1 596 . 1 1 55 55 GLU H H 1 8.396 0.020 . 1 . . . . 298 GLU H . 25647 1 597 . 1 1 55 55 GLU HA H 1 4.229 0.020 . 1 . . . . 298 GLU HA . 25647 1 598 . 1 1 55 55 GLU HB2 H 1 1.948 0.020 . 2 . . . . 298 GLU HB2 . 25647 1 599 . 1 1 55 55 GLU HB3 H 1 2.045 0.020 . 2 . . . . 298 GLU HB3 . 25647 1 600 . 1 1 55 55 GLU HG2 H 1 2.305 0.020 . 1 . . . . 298 GLU HG2 . 25647 1 601 . 1 1 55 55 GLU HG3 H 1 2.305 0.020 . 1 . . . . 298 GLU HG3 . 25647 1 602 . 1 1 55 55 GLU C C 13 176.698 0.3 . 1 . . . . 298 GLU C . 25647 1 603 . 1 1 55 55 GLU CA C 13 56.445 0.3 . 1 . . . . 298 GLU CA . 25647 1 604 . 1 1 55 55 GLU CB C 13 29.615 0.3 . 1 . . . . 298 GLU CB . 25647 1 605 . 1 1 55 55 GLU CG C 13 35.203 0.3 . 1 . . . . 298 GLU CG . 25647 1 606 . 1 1 55 55 GLU N N 15 120.435 0.3 . 1 . . . . 298 GLU N . 25647 1 607 . 1 1 56 56 GLY H H 1 8.248 0.020 . 1 . . . . 299 GLY H . 25647 1 608 . 1 1 56 56 GLY HA2 H 1 3.929 0.020 . 1 . . . . 299 GLY HA2 . 25647 1 609 . 1 1 56 56 GLY HA3 H 1 3.929 0.020 . 1 . . . . 299 GLY HA3 . 25647 1 610 . 1 1 56 56 GLY C C 13 173.761 0.3 . 1 . . . . 299 GLY C . 25647 1 611 . 1 1 56 56 GLY CA C 13 45.049 0.3 . 1 . . . . 299 GLY CA . 25647 1 612 . 1 1 56 56 GLY N N 15 109.485 0.3 . 1 . . . . 299 GLY N . 25647 1 613 . 1 1 57 57 GLU H H 1 8.100 0.020 . 1 . . . . 300 GLU H . 25647 1 614 . 1 1 57 57 GLU HA H 1 4.251 0.020 . 1 . . . . 300 GLU HA . 25647 1 615 . 1 1 57 57 GLU HB2 H 1 2.025 0.020 . 2 . . . . 300 GLU HB2 . 25647 1 616 . 1 1 57 57 GLU HB3 H 1 1.911 0.020 . 2 . . . . 300 GLU HB3 . 25647 1 617 . 1 1 57 57 GLU HG2 H 1 2.244 0.020 . 1 . . . . 300 GLU HG2 . 25647 1 618 . 1 1 57 57 GLU HG3 H 1 2.244 0.020 . 1 . . . . 300 GLU HG3 . 25647 1 619 . 1 1 57 57 GLU C C 13 176.056 0.3 . 1 . . . . 300 GLU C . 25647 1 620 . 1 1 57 57 GLU CA C 13 56.208 0.3 . 1 . . . . 300 GLU CA . 25647 1 621 . 1 1 57 57 GLU CB C 13 29.751 0.3 . 1 . . . . 300 GLU CB . 25647 1 622 . 1 1 57 57 GLU CG C 13 35.175 0.3 . 1 . . . . 300 GLU CG . 25647 1 623 . 1 1 57 57 GLU N N 15 120.510 0.3 . 1 . . . . 300 GLU N . 25647 1 624 . 1 1 58 58 LYS H H 1 8.174 0.020 . 1 . . . . 301 LYS H . 25647 1 625 . 1 1 58 58 LYS HA H 1 4.273 0.020 . 1 . . . . 301 LYS HA . 25647 1 626 . 1 1 58 58 LYS HB2 H 1 1.710 0.020 . 2 . . . . 301 LYS HB2 . 25647 1 627 . 1 1 58 58 LYS HB3 H 1 1.787 0.020 . 2 . . . . 301 LYS HB3 . 25647 1 628 . 1 1 58 58 LYS HG2 H 1 1.369 0.020 . 2 . . . . 301 LYS HG2 . 25647 1 629 . 1 1 58 58 LYS HG3 H 1 1.411 0.020 . 2 . . . . 301 LYS HG3 . 25647 1 630 . 1 1 58 58 LYS HD2 H 1 1.648 0.020 . 1 . . . . 301 LYS HD2 . 25647 1 631 . 1 1 58 58 LYS HD3 H 1 1.648 0.020 . 1 . . . . 301 LYS HD3 . 25647 1 632 . 1 1 58 58 LYS HE2 H 1 2.966 0.020 . 1 . . . . 301 LYS HE2 . 25647 1 633 . 1 1 58 58 LYS HE3 H 1 2.966 0.020 . 1 . . . . 301 LYS HE3 . 25647 1 634 . 1 1 58 58 LYS C C 13 176.035 0.3 . 1 . . . . 301 LYS C . 25647 1 635 . 1 1 58 58 LYS CA C 13 55.914 0.3 . 1 . . . . 301 LYS CA . 25647 1 636 . 1 1 58 58 LYS CB C 13 32.509 0.3 . 1 . . . . 301 LYS CB . 25647 1 637 . 1 1 58 58 LYS CG C 13 24.390 0.3 . 1 . . . . 301 LYS CG . 25647 1 638 . 1 1 58 58 LYS CD C 13 28.696 0.3 . 1 . . . . 301 LYS CD . 25647 1 639 . 1 1 58 58 LYS CE C 13 41.850 0.3 . 1 . . . . 301 LYS CE . 25647 1 640 . 1 1 58 58 LYS N N 15 122.124 0.3 . 1 . . . . 301 LYS N . 25647 1 641 . 1 1 59 59 LEU H H 1 8.040 0.020 . 1 . . . . 302 LEU H . 25647 1 642 . 1 1 59 59 LEU HA H 1 4.240 0.020 . 1 . . . . 302 LEU HA . 25647 1 643 . 1 1 59 59 LEU HB2 H 1 1.559 0.020 . 2 . . . . 302 LEU HB2 . 25647 1 644 . 1 1 59 59 LEU HB3 H 1 1.459 0.020 . 2 . . . . 302 LEU HB3 . 25647 1 645 . 1 1 59 59 LEU HG H 1 1.513 0.020 . 1 . . . . 302 LEU HG . 25647 1 646 . 1 1 59 59 LEU HD11 H 1 0.874 0.020 . 2 . . . . 302 LEU HD1 . 25647 1 647 . 1 1 59 59 LEU HD12 H 1 0.874 0.020 . 2 . . . . 302 LEU HD1 . 25647 1 648 . 1 1 59 59 LEU HD13 H 1 0.874 0.020 . 2 . . . . 302 LEU HD1 . 25647 1 649 . 1 1 59 59 LEU HD21 H 1 0.815 0.020 . 2 . . . . 302 LEU HD2 . 25647 1 650 . 1 1 59 59 LEU HD22 H 1 0.815 0.020 . 2 . . . . 302 LEU HD2 . 25647 1 651 . 1 1 59 59 LEU HD23 H 1 0.815 0.020 . 2 . . . . 302 LEU HD2 . 25647 1 652 . 1 1 59 59 LEU C C 13 176.785 0.3 . 1 . . . . 302 LEU C . 25647 1 653 . 1 1 59 59 LEU CA C 13 55.001 0.3 . 1 . . . . 302 LEU CA . 25647 1 654 . 1 1 59 59 LEU CB C 13 42.059 0.3 . 1 . . . . 302 LEU CB . 25647 1 655 . 1 1 59 59 LEU CG C 13 26.648 0.3 . 1 . . . . 302 LEU CG . 25647 1 656 . 1 1 59 59 LEU CD1 C 13 24.421 0.3 . 1 . . . . 302 LEU CD1 . 25647 1 657 . 1 1 59 59 LEU CD2 C 13 23.141 0.3 . 1 . . . . 302 LEU CD2 . 25647 1 658 . 1 1 59 59 LEU N N 15 122.582 0.3 . 1 . . . . 302 LEU N . 25647 1 659 . 1 1 60 60 HIS H H 1 8.344 0.020 . 1 . . . . 303 HIS H . 25647 1 660 . 1 1 60 60 HIS HA H 1 4.708 0.020 . 1 . . . . 303 HIS HA . 25647 1 661 . 1 1 60 60 HIS HB2 H 1 3.269 0.020 . 2 . . . . 303 HIS HB2 . 25647 1 662 . 1 1 60 60 HIS HB3 H 1 3.170 0.020 . 2 . . . . 303 HIS HB3 . 25647 1 663 . 1 1 60 60 HIS HD2 H 1 7.266 0.020 . 1 . . . . 303 HIS HD2 . 25647 1 664 . 1 1 60 60 HIS HE1 H 1 8.552 0.020 . 1 . . . . 303 HIS HE1 . 25647 1 665 . 1 1 60 60 HIS C C 13 174.044 0.3 . 1 . . . . 303 HIS C . 25647 1 666 . 1 1 60 60 HIS CA C 13 54.838 0.3 . 1 . . . . 303 HIS CA . 25647 1 667 . 1 1 60 60 HIS CB C 13 28.770 0.3 . 1 . . . . 303 HIS CB . 25647 1 668 . 1 1 60 60 HIS CD2 C 13 119.962 0.3 . 1 . . . . 303 HIS CD2 . 25647 1 669 . 1 1 60 60 HIS CE1 C 13 136.253 0.3 . 1 . . . . 303 HIS CE1 . 25647 1 670 . 1 1 60 60 HIS N N 15 118.836 0.3 . 1 . . . . 303 HIS N . 25647 1 671 . 1 1 61 61 SER H H 1 8.244 0.020 . 1 . . . . 304 SER H . 25647 1 672 . 1 1 61 61 SER HA H 1 4.436 0.020 . 1 . . . . 304 SER HA . 25647 1 673 . 1 1 61 61 SER HB2 H 1 3.827 0.020 . 1 . . . . 304 SER HB2 . 25647 1 674 . 1 1 61 61 SER HB3 H 1 3.827 0.020 . 1 . . . . 304 SER HB3 . 25647 1 675 . 1 1 61 61 SER C C 13 173.914 0.3 . 1 . . . . 304 SER C . 25647 1 676 . 1 1 61 61 SER CA C 13 57.905 0.3 . 1 . . . . 304 SER CA . 25647 1 677 . 1 1 61 61 SER CB C 13 63.652 0.3 . 1 . . . . 304 SER CB . 25647 1 678 . 1 1 61 61 SER N N 15 117.316 0.3 . 1 . . . . 304 SER N . 25647 1 679 . 1 1 62 62 ASP H H 1 8.413 0.020 . 1 . . . . 305 ASP H . 25647 1 680 . 1 1 62 62 ASP HA H 1 4.653 0.020 . 1 . . . . 305 ASP HA . 25647 1 681 . 1 1 62 62 ASP HB2 H 1 2.728 0.020 . 2 . . . . 305 ASP HB2 . 25647 1 682 . 1 1 62 62 ASP HB3 H 1 2.665 0.020 . 2 . . . . 305 ASP HB3 . 25647 1 683 . 1 1 62 62 ASP C C 13 175.828 0.3 . 1 . . . . 305 ASP C . 25647 1 684 . 1 1 62 62 ASP CA C 13 54.120 0.3 . 1 . . . . 305 ASP CA . 25647 1 685 . 1 1 62 62 ASP CB C 13 40.663 0.3 . 1 . . . . 305 ASP CB . 25647 1 686 . 1 1 62 62 ASP N N 15 122.572 0.3 . 1 . . . . 305 ASP N . 25647 1 687 . 1 1 63 63 SER H H 1 8.151 0.020 . 1 . . . . 306 SER H . 25647 1 688 . 1 1 63 63 SER HA H 1 4.425 0.020 . 1 . . . . 306 SER HA . 25647 1 689 . 1 1 63 63 SER HB2 H 1 3.870 0.020 . 1 . . . . 306 SER HB2 . 25647 1 690 . 1 1 63 63 SER HB3 H 1 3.870 0.020 . 1 . . . . 306 SER HB3 . 25647 1 691 . 1 1 63 63 SER C C 13 174.610 0.3 . 1 . . . . 306 SER C . 25647 1 692 . 1 1 63 63 SER CA C 13 58.329 0.3 . 1 . . . . 306 SER CA . 25647 1 693 . 1 1 63 63 SER CB C 13 63.652 0.3 . 1 . . . . 306 SER CB . 25647 1 694 . 1 1 63 63 SER N N 15 115.418 0.3 . 1 . . . . 306 SER N . 25647 1 695 . 1 1 64 64 GLY H H 1 8.274 0.020 . 1 . . . . 307 GLY H . 25647 1 696 . 1 1 64 64 GLY HA2 H 1 3.936 0.020 . 1 . . . . 307 GLY HA2 . 25647 1 697 . 1 1 64 64 GLY HA3 H 1 3.936 0.020 . 1 . . . . 307 GLY HA3 . 25647 1 698 . 1 1 64 64 GLY C C 13 172.805 0.3 . 1 . . . . 307 GLY C . 25647 1 699 . 1 1 64 64 GLY CA C 13 45.245 0.3 . 1 . . . . 307 GLY CA . 25647 1 700 . 1 1 64 64 GLY N N 15 111.136 0.3 . 1 . . . . 307 GLY N . 25647 1 701 . 1 1 65 65 ILE H H 1 7.439 0.020 . 1 . . . . 308 ILE H . 25647 1 702 . 1 1 65 65 ILE HA H 1 4.088 0.020 . 1 . . . . 308 ILE HA . 25647 1 703 . 1 1 65 65 ILE HB H 1 1.810 0.020 . 1 . . . . 308 ILE HB . 25647 1 704 . 1 1 65 65 ILE HG12 H 1 1.365 0.020 . 2 . . . . 308 ILE HG12 . 25647 1 705 . 1 1 65 65 ILE HG13 H 1 1.078 0.020 . 2 . . . . 308 ILE HG13 . 25647 1 706 . 1 1 65 65 ILE HG21 H 1 0.853 0.020 . 1 . . . . 308 ILE HG2 . 25647 1 707 . 1 1 65 65 ILE HG22 H 1 0.853 0.020 . 1 . . . . 308 ILE HG2 . 25647 1 708 . 1 1 65 65 ILE HG23 H 1 0.853 0.020 . 1 . . . . 308 ILE HG2 . 25647 1 709 . 1 1 65 65 ILE HD11 H 1 0.829 0.020 . 1 . . . . 308 ILE HD1 . 25647 1 710 . 1 1 65 65 ILE HD12 H 1 0.829 0.020 . 1 . . . . 308 ILE HD1 . 25647 1 711 . 1 1 65 65 ILE HD13 H 1 0.829 0.020 . 1 . . . . 308 ILE HD1 . 25647 1 712 . 1 1 65 65 ILE C C 13 180.374 0.3 . 1 . . . . 308 ILE C . 25647 1 713 . 1 1 65 65 ILE CA C 13 62.277 0.3 . 1 . . . . 308 ILE CA . 25647 1 714 . 1 1 65 65 ILE CB C 13 39.263 0.3 . 1 . . . . 308 ILE CB . 25647 1 715 . 1 1 65 65 ILE CG1 C 13 26.862 0.3 . 1 . . . . 308 ILE CG1 . 25647 1 716 . 1 1 65 65 ILE CG2 C 13 17.697 0.3 . 1 . . . . 308 ILE CG2 . 25647 1 717 . 1 1 65 65 ILE CD1 C 13 13.223 0.3 . 1 . . . . 308 ILE CD1 . 25647 1 718 . 1 1 65 65 ILE N N 15 123.434 0.3 . 1 . . . . 308 ILE N . 25647 1 stop_ save_