data_287 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 287 _Entry.Title ; Determination of The Secondary Structure of the DNA Binding Protein Ner from Phage Mu Using 1H Homonuclear and 15N-1H Heteronuclear NMR Spectroscopy ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Angela Gronenborn . M. . 287 2 Paul Wingfield . . . 287 3 G. Clore . Marius . 287 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 287 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 67 287 '1H chemical shifts' 348 287 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 4 . . 2010-06-10 . revision BMRB 'Complete natural source information' 287 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 287 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 287 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 287 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 287 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Gronenborn, Angela M., Wingfield, Paul, Clore, G. Marius, "Determination of The Secondary Structure of the DNA Binding Protein Ner from Phage Mu Using 1H Homonuclear and 15N-1H Heteronuclear NMR Spectroscopy," Biochemistry 28, 5081-5089 (1989). ; _Citation.Title ; Determination of The Secondary Structure of the DNA Binding Protein Ner from Phage Mu Using 1H Homonuclear and 15N-1H Heteronuclear NMR Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue . _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 5081 _Citation.Page_last 5089 _Citation.Year 1989 _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 Angela Gronenborn . M. . 287 1 2 Paul Wingfield . . . 287 1 3 G. Clore . Marius . 287 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_transcriptional_regulator_ner _Assembly.Sf_category assembly _Assembly.Sf_framecode system_transcriptional_regulator_ner _Assembly.Entry_ID 287 _Assembly.ID 1 _Assembly.Name 'transcriptional regulator ner' _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 . _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 'transcriptional regulator ner' 1 $transcriptional_regulator_ner . . . . . . . . . 287 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'transcriptional regulator ner' system 287 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_transcriptional_regulator_ner _Entity.Sf_category entity _Entity.Sf_framecode transcriptional_regulator_ner _Entity.Entry_ID 287 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'transcriptional regulator ner' _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 ; XXXXXARDWHRADVIAGLKK RKLSLSALSRQFGYAPTTLA NALERHWPKGEQIIANALET KPEVIWPSRYQAGE ; _Entity.Polymer_seq_one_letter_code ; XXXXXARDWHRADVIAGLKK RKLSLSALSRQFGYAPTTLA NALERHWPKGEQIIANALET KPEVIWPSRYQAGE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 BMRB 288 . "transcriptional regulator ner" . . . . . 93.24 74 100.00 100.00 1.53e-41 . . . . 287 1 2 no PDB 1NEQ . "Solution Structure Of The Mu Ner Protein By Multidimensional Nmr" . . . . . 93.24 74 100.00 100.00 8.06e-42 . . . . 287 1 3 no PDB 1NER . "Solution Structure Of The Mu Ner Protein By Multidimensional Nmr" . . . . . 93.24 74 100.00 100.00 8.06e-42 . . . . 287 1 4 no EMBL CAA24712 . "unnamed protein product [Enterobacteria phage Mu]" . . . . . 93.24 75 100.00 100.00 6.88e-42 . . . . 287 1 5 no EMBL CDL02922 . "Phage DNA-binding protein [Escherichia coli IS35]" . . . . . 91.89 75 100.00 100.00 2.35e-41 . . . . 287 1 6 no EMBL CTV64185 . "putative phage transcriptional regulator [Escherichia coli]" . . . . . 93.24 75 100.00 100.00 6.88e-42 . . . . 287 1 7 no EMBL CTV65298 . "putative phage transcriptional regulator [Escherichia coli]" . . . . . 93.24 75 100.00 100.00 6.88e-42 . . . . 287 1 8 no EMBL CTV69741 . "putative phage transcriptional regulator [Escherichia coli]" . . . . . 93.24 75 100.00 100.00 6.88e-42 . . . . 287 1 9 no GB AAA32378 . "ner [Enterobacteria phage Mu]" . . . . . 93.24 75 100.00 100.00 6.88e-42 . . . . 287 1 10 no GB AAF01082 . "ner [Enterobacteria phage Mu]" . . . . . 93.24 75 100.00 100.00 6.88e-42 . . . . 287 1 11 no GB AAW58939 . "negative regulator of early transcription [Cloning vector MuNXKan]" . . . . . 93.24 75 100.00 100.00 6.88e-42 . . . . 287 1 12 no GB ADT73859 . "DNA binding protein [Escherichia coli W]" . . . . . 93.24 75 100.00 100.00 6.88e-42 . . . . 287 1 13 no GB ADX52177 . "putative transcriptional regulator, Nlp [Escherichia coli KO11FL]" . . . . . 93.24 75 100.00 100.00 6.88e-42 . . . . 287 1 14 no REF NP_050606 . "DNA binding protein ner [Enterobacteria phage Mu]" . . . . . 93.24 75 100.00 100.00 6.88e-42 . . . . 287 1 15 no REF WP_000337186 . "DNA-binding protein [Escherichia coli]" . . . . . 93.24 75 100.00 100.00 6.88e-42 . . . . 287 1 16 no REF WP_021555231 . "DNA-binding protein Ner [Escherichia coli]" . . . . . 93.24 75 100.00 100.00 8.28e-42 . . . . 287 1 17 no REF WP_032084927 . "regulator [Escherichia coli]" . . . . . 91.89 75 100.00 100.00 2.35e-41 . . . . 287 1 18 no REF WP_032358800 . "regulator [Escherichia coli]" . . . . . 93.24 75 98.55 98.55 2.33e-40 . . . . 287 1 19 no SP P06020 . "RecName: Full=Negative regulator of transcription; Short=Ner; AltName: Full=Gene product 2; Short=gp2" . . . . . 93.24 75 100.00 100.00 6.88e-42 . . . . 287 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'transcriptional regulator ner' common 287 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 . X . 287 1 2 . X . 287 1 3 . X . 287 1 4 . X . 287 1 5 . X . 287 1 6 . ALA . 287 1 7 . ARG . 287 1 8 . ASP . 287 1 9 . TRP . 287 1 10 . HIS . 287 1 11 . ARG . 287 1 12 . ALA . 287 1 13 . ASP . 287 1 14 . VAL . 287 1 15 . ILE . 287 1 16 . ALA . 287 1 17 . GLY . 287 1 18 . LEU . 287 1 19 . LYS . 287 1 20 . LYS . 287 1 21 . ARG . 287 1 22 . LYS . 287 1 23 . LEU . 287 1 24 . SER . 287 1 25 . LEU . 287 1 26 . SER . 287 1 27 . ALA . 287 1 28 . LEU . 287 1 29 . SER . 287 1 30 . ARG . 287 1 31 . GLN . 287 1 32 . PHE . 287 1 33 . GLY . 287 1 34 . TYR . 287 1 35 . ALA . 287 1 36 . PRO . 287 1 37 . THR . 287 1 38 . THR . 287 1 39 . LEU . 287 1 40 . ALA . 287 1 41 . ASN . 287 1 42 . ALA . 287 1 43 . LEU . 287 1 44 . GLU . 287 1 45 . ARG . 287 1 46 . HIS . 287 1 47 . TRP . 287 1 48 . PRO . 287 1 49 . LYS . 287 1 50 . GLY . 287 1 51 . GLU . 287 1 52 . GLN . 287 1 53 . ILE . 287 1 54 . ILE . 287 1 55 . ALA . 287 1 56 . ASN . 287 1 57 . ALA . 287 1 58 . LEU . 287 1 59 . GLU . 287 1 60 . THR . 287 1 61 . LYS . 287 1 62 . PRO . 287 1 63 . GLU . 287 1 64 . VAL . 287 1 65 . ILE . 287 1 66 . TRP . 287 1 67 . PRO . 287 1 68 . SER . 287 1 69 . ARG . 287 1 70 . TYR . 287 1 71 . GLN . 287 1 72 . ALA . 287 1 73 . GLY . 287 1 74 . GLU . 287 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 . X 1 1 287 1 . X 2 2 287 1 . X 3 3 287 1 . X 4 4 287 1 . X 5 5 287 1 . ALA 6 6 287 1 . ARG 7 7 287 1 . ASP 8 8 287 1 . TRP 9 9 287 1 . HIS 10 10 287 1 . ARG 11 11 287 1 . ALA 12 12 287 1 . ASP 13 13 287 1 . VAL 14 14 287 1 . ILE 15 15 287 1 . ALA 16 16 287 1 . GLY 17 17 287 1 . LEU 18 18 287 1 . LYS 19 19 287 1 . LYS 20 20 287 1 . ARG 21 21 287 1 . LYS 22 22 287 1 . LEU 23 23 287 1 . SER 24 24 287 1 . LEU 25 25 287 1 . SER 26 26 287 1 . ALA 27 27 287 1 . LEU 28 28 287 1 . SER 29 29 287 1 . ARG 30 30 287 1 . GLN 31 31 287 1 . PHE 32 32 287 1 . GLY 33 33 287 1 . TYR 34 34 287 1 . ALA 35 35 287 1 . PRO 36 36 287 1 . THR 37 37 287 1 . THR 38 38 287 1 . LEU 39 39 287 1 . ALA 40 40 287 1 . ASN 41 41 287 1 . ALA 42 42 287 1 . LEU 43 43 287 1 . GLU 44 44 287 1 . ARG 45 45 287 1 . HIS 46 46 287 1 . TRP 47 47 287 1 . PRO 48 48 287 1 . LYS 49 49 287 1 . GLY 50 50 287 1 . GLU 51 51 287 1 . GLN 52 52 287 1 . ILE 53 53 287 1 . ILE 54 54 287 1 . ALA 55 55 287 1 . ASN 56 56 287 1 . ALA 57 57 287 1 . LEU 58 58 287 1 . GLU 59 59 287 1 . THR 60 60 287 1 . LYS 61 61 287 1 . PRO 62 62 287 1 . GLU 63 63 287 1 . VAL 64 64 287 1 . ILE 65 65 287 1 . TRP 66 66 287 1 . PRO 67 67 287 1 . SER 68 68 287 1 . ARG 69 69 287 1 . TYR 70 70 287 1 . GLN 71 71 287 1 . ALA 72 72 287 1 . GLY 73 73 287 1 . GLU 74 74 287 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 287 _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 $transcriptional_regulator_ner . 562 organism . 'Escherichia coli' 'Escherichia coli bacteriophage' . . Eubacteria . Escherichia coli mu . . . . . . . . . . . . . . . . . . . . 287 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 287 _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 $transcriptional_regulator_ner . 'not available' 'Escherichia coli' . . . Escherichia coli 'strain B' . . . . . . . . . . . . . . . . . . . . . . 287 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 287 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 287 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . na 287 1 temperature 300 . K 287 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 287 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 287 _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 unknown unknown . 0 'spectrometer information not available' . . 287 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 287 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 287 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 287 _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 H . DSS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 287 1 N . 'liquid NH3' . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 287 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 287 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 287 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 6 6 ALA H H 1 8.22 . . 1 . . . . . . . . 287 1 2 . 1 1 6 6 ALA HA H 1 4.22 . . 1 . . . . . . . . 287 1 3 . 1 1 6 6 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 287 1 4 . 1 1 6 6 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 287 1 5 . 1 1 6 6 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 287 1 6 . 1 1 6 6 ALA N N 15 125 . . 1 . . . . . . . . 287 1 7 . 1 1 7 7 ARG H H 1 8.28 . . 1 . . . . . . . . 287 1 8 . 1 1 7 7 ARG HA H 1 4.53 . . 1 . . . . . . . . 287 1 9 . 1 1 7 7 ARG HB2 H 1 1.83 . . 1 . . . . . . . . 287 1 10 . 1 1 7 7 ARG HB3 H 1 1.83 . . 1 . . . . . . . . 287 1 11 . 1 1 7 7 ARG N N 15 119.9 . . 1 . . . . . . . . 287 1 12 . 1 1 8 8 ASP H H 1 8.28 . . 1 . . . . . . . . 287 1 13 . 1 1 8 8 ASP HA H 1 4.92 . . 1 . . . . . . . . 287 1 14 . 1 1 8 8 ASP HB2 H 1 2.97 . . 2 . . . . . . . . 287 1 15 . 1 1 8 8 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 287 1 16 . 1 1 8 8 ASP N N 15 123.2 . . 1 . . . . . . . . 287 1 17 . 1 1 9 9 TRP H H 1 9.32 . . 1 . . . . . . . . 287 1 18 . 1 1 9 9 TRP HA H 1 4.56 . . 1 . . . . . . . . 287 1 19 . 1 1 9 9 TRP HB2 H 1 3.09 . . 2 . . . . . . . . 287 1 20 . 1 1 9 9 TRP HB3 H 1 3.24 . . 2 . . . . . . . . 287 1 21 . 1 1 9 9 TRP NE1 N 15 128.5 . . 1 . . . . . . . . 287 1 22 . 1 1 9 9 TRP HD1 H 1 7.38 . . 1 . . . . . . . . 287 1 23 . 1 1 9 9 TRP HE1 H 1 9.6 . . 1 . . . . . . . . 287 1 24 . 1 1 9 9 TRP HE3 H 1 6.89 . . 1 . . . . . . . . 287 1 25 . 1 1 9 9 TRP HZ2 H 1 7.34 . . 1 . . . . . . . . 287 1 26 . 1 1 9 9 TRP HZ3 H 1 6.83 . . 1 . . . . . . . . 287 1 27 . 1 1 9 9 TRP HH2 H 1 7.15 . . 1 . . . . . . . . 287 1 28 . 1 1 9 9 TRP N N 15 122.8 . . 1 . . . . . . . . 287 1 29 . 1 1 10 10 HIS H H 1 9 . . 1 . . . . . . . . 287 1 30 . 1 1 10 10 HIS HA H 1 4.8 . . 1 . . . . . . . . 287 1 31 . 1 1 10 10 HIS HB2 H 1 3.17 . . 2 . . . . . . . . 287 1 32 . 1 1 10 10 HIS HB3 H 1 3.37 . . 2 . . . . . . . . 287 1 33 . 1 1 10 10 HIS HD2 H 1 7.3 . . 1 . . . . . . . . 287 1 34 . 1 1 10 10 HIS HE1 H 1 8.08 . . 1 . . . . . . . . 287 1 35 . 1 1 10 10 HIS N N 15 121.3 . . 1 . . . . . . . . 287 1 36 . 1 1 11 11 ARG HA H 1 4.15 . . 1 . . . . . . . . 287 1 37 . 1 1 12 12 ALA H H 1 9.85 . . 1 . . . . . . . . 287 1 38 . 1 1 12 12 ALA HA H 1 4.17 . . 1 . . . . . . . . 287 1 39 . 1 1 12 12 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 287 1 40 . 1 1 12 12 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 287 1 41 . 1 1 12 12 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 287 1 42 . 1 1 12 12 ALA N N 15 119.8 . . 1 . . . . . . . . 287 1 43 . 1 1 13 13 ASP H H 1 7.74 . . 1 . . . . . . . . 287 1 44 . 1 1 13 13 ASP HA H 1 4.56 . . 1 . . . . . . . . 287 1 45 . 1 1 13 13 ASP HB2 H 1 2.6 . . 2 . . . . . . . . 287 1 46 . 1 1 13 13 ASP HB3 H 1 3.09 . . 2 . . . . . . . . 287 1 47 . 1 1 13 13 ASP N N 15 117.5 . . 1 . . . . . . . . 287 1 48 . 1 1 14 14 VAL H H 1 7.83 . . 1 . . . . . . . . 287 1 49 . 1 1 14 14 VAL HA H 1 3.79 . . 1 . . . . . . . . 287 1 50 . 1 1 14 14 VAL HB H 1 2.54 . . 1 . . . . . . . . 287 1 51 . 1 1 14 14 VAL HG11 H 1 1.02 . . 2 . . . . . . . . 287 1 52 . 1 1 14 14 VAL HG12 H 1 1.02 . . 2 . . . . . . . . 287 1 53 . 1 1 14 14 VAL HG13 H 1 1.02 . . 2 . . . . . . . . 287 1 54 . 1 1 14 14 VAL HG21 H 1 .96 . . 2 . . . . . . . . 287 1 55 . 1 1 14 14 VAL HG22 H 1 .96 . . 2 . . . . . . . . 287 1 56 . 1 1 14 14 VAL HG23 H 1 .96 . . 2 . . . . . . . . 287 1 57 . 1 1 14 14 VAL N N 15 123.2 . . 1 . . . . . . . . 287 1 58 . 1 1 15 15 ILE H H 1 8.07 . . 1 . . . . . . . . 287 1 59 . 1 1 15 15 ILE HA H 1 3.67 . . 1 . . . . . . . . 287 1 60 . 1 1 15 15 ILE HB H 1 1.97 . . 1 . . . . . . . . 287 1 61 . 1 1 15 15 ILE HG21 H 1 1.06 . . 1 . . . . . . . . 287 1 62 . 1 1 15 15 ILE HG22 H 1 1.06 . . 1 . . . . . . . . 287 1 63 . 1 1 15 15 ILE HG23 H 1 1.06 . . 1 . . . . . . . . 287 1 64 . 1 1 15 15 ILE N N 15 118.2 . . 1 . . . . . . . . 287 1 65 . 1 1 16 16 ALA H H 1 8.48 . . 1 . . . . . . . . 287 1 66 . 1 1 16 16 ALA HA H 1 4.23 . . 1 . . . . . . . . 287 1 67 . 1 1 16 16 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 287 1 68 . 1 1 16 16 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 287 1 69 . 1 1 16 16 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 287 1 70 . 1 1 16 16 ALA N N 15 121.8 . . 1 . . . . . . . . 287 1 71 . 1 1 17 17 GLY H H 1 8.13 . . 1 . . . . . . . . 287 1 72 . 1 1 17 17 GLY HA2 H 1 3.77 . . 2 . . . . . . . . 287 1 73 . 1 1 17 17 GLY HA3 H 1 3.88 . . 2 . . . . . . . . 287 1 74 . 1 1 17 17 GLY N N 15 106.8 . . 1 . . . . . . . . 287 1 75 . 1 1 18 18 LEU H H 1 8.12 . . 1 . . . . . . . . 287 1 76 . 1 1 18 18 LEU HA H 1 4.03 . . 1 . . . . . . . . 287 1 77 . 1 1 18 18 LEU N N 15 122.6 . . 1 . . . . . . . . 287 1 78 . 1 1 19 19 LYS H H 1 8.44 . . 1 . . . . . . . . 287 1 79 . 1 1 19 19 LYS HA H 1 4.01 . . 1 . . . . . . . . 287 1 80 . 1 1 19 19 LYS N N 15 121.7 . . 1 . . . . . . . . 287 1 81 . 1 1 20 20 LYS H H 1 8.07 . . 1 . . . . . . . . 287 1 82 . 1 1 20 20 LYS HA H 1 4.17 . . 1 . . . . . . . . 287 1 83 . 1 1 20 20 LYS N N 15 120.4 . . 1 . . . . . . . . 287 1 84 . 1 1 21 21 ARG H H 1 7.18 . . 1 . . . . . . . . 287 1 85 . 1 1 21 21 ARG HA H 1 4.42 . . 1 . . . . . . . . 287 1 86 . 1 1 21 21 ARG N N 15 117.3 . . 1 . . . . . . . . 287 1 87 . 1 1 22 22 LYS H H 1 8.09 . . 1 . . . . . . . . 287 1 88 . 1 1 22 22 LYS HA H 1 3.96 . . 1 . . . . . . . . 287 1 89 . 1 1 22 22 LYS N N 15 113.9 . . 1 . . . . . . . . 287 1 90 . 1 1 23 23 LEU H H 1 8.07 . . 1 . . . . . . . . 287 1 91 . 1 1 23 23 LEU HA H 1 4.86 . . 1 . . . . . . . . 287 1 92 . 1 1 23 23 LEU HB2 H 1 1.73 . . 1 . . . . . . . . 287 1 93 . 1 1 23 23 LEU HB3 H 1 1.73 . . 1 . . . . . . . . 287 1 94 . 1 1 23 23 LEU HG H 1 1.24 . . 1 . . . . . . . . 287 1 95 . 1 1 23 23 LEU HD11 H 1 1 . . 1 . . . . . . . . 287 1 96 . 1 1 23 23 LEU HD12 H 1 1 . . 1 . . . . . . . . 287 1 97 . 1 1 23 23 LEU HD13 H 1 1 . . 1 . . . . . . . . 287 1 98 . 1 1 23 23 LEU HD21 H 1 1 . . 1 . . . . . . . . 287 1 99 . 1 1 23 23 LEU HD22 H 1 1 . . 1 . . . . . . . . 287 1 100 . 1 1 23 23 LEU HD23 H 1 1 . . 1 . . . . . . . . 287 1 101 . 1 1 23 23 LEU N N 15 118 . . 1 . . . . . . . . 287 1 102 . 1 1 24 24 SER H H 1 7.41 . . 1 . . . . . . . . 287 1 103 . 1 1 24 24 SER HA H 1 4.7 . . 1 . . . . . . . . 287 1 104 . 1 1 24 24 SER HB2 H 1 3.94 . . 2 . . . . . . . . 287 1 105 . 1 1 24 24 SER HB3 H 1 4.27 . . 2 . . . . . . . . 287 1 106 . 1 1 24 24 SER N N 15 111.9 . . 1 . . . . . . . . 287 1 107 . 1 1 25 25 LEU HA H 1 4 . . 1 . . . . . . . . 287 1 108 . 1 1 26 26 SER HA H 1 3.88 . . 1 . . . . . . . . 287 1 109 . 1 1 26 26 SER HB2 H 1 3.95 . . 1 . . . . . . . . 287 1 110 . 1 1 26 26 SER HB3 H 1 3.95 . . 1 . . . . . . . . 287 1 111 . 1 1 27 27 ALA H H 1 7.89 . . 1 . . . . . . . . 287 1 112 . 1 1 27 27 ALA HA H 1 4.21 . . 1 . . . . . . . . 287 1 113 . 1 1 27 27 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 287 1 114 . 1 1 27 27 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 287 1 115 . 1 1 27 27 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 287 1 116 . 1 1 27 27 ALA N N 15 125.5 . . 1 . . . . . . . . 287 1 117 . 1 1 28 28 LEU H H 1 8.24 . . 1 . . . . . . . . 287 1 118 . 1 1 28 28 LEU HA H 1 4.27 . . 1 . . . . . . . . 287 1 119 . 1 1 28 28 LEU N N 15 119.5 . . 1 . . . . . . . . 287 1 120 . 1 1 29 29 SER H H 1 8.41 . . 1 . . . . . . . . 287 1 121 . 1 1 29 29 SER HA H 1 4.14 . . 1 . . . . . . . . 287 1 122 . 1 1 29 29 SER HB2 H 1 4.15 . . 2 . . . . . . . . 287 1 123 . 1 1 29 29 SER HB3 H 1 4.25 . . 2 . . . . . . . . 287 1 124 . 1 1 29 29 SER N N 15 114.4 . . 1 . . . . . . . . 287 1 125 . 1 1 30 30 ARG H H 1 7.88 . . 1 . . . . . . . . 287 1 126 . 1 1 30 30 ARG HA H 1 4.41 . . 1 . . . . . . . . 287 1 127 . 1 1 30 30 ARG N N 15 118.2 . . 1 . . . . . . . . 287 1 128 . 1 1 31 31 GLN H H 1 8.24 . . 1 . . . . . . . . 287 1 129 . 1 1 31 31 GLN HA H 1 4.26 . . 1 . . . . . . . . 287 1 130 . 1 1 31 31 GLN HB2 H 1 2.16 . . 2 . . . . . . . . 287 1 131 . 1 1 31 31 GLN HB3 H 1 2.3 . . 2 . . . . . . . . 287 1 132 . 1 1 31 31 GLN NE2 N 15 109.3 . . 1 . . . . . . . . 287 1 133 . 1 1 31 31 GLN HE21 H 1 6.58 . . 2 . . . . . . . . 287 1 134 . 1 1 31 31 GLN HE22 H 1 7.03 . . 2 . . . . . . . . 287 1 135 . 1 1 31 31 GLN N N 15 121 . . 1 . . . . . . . . 287 1 136 . 1 1 32 32 PHE H H 1 7.57 . . 1 . . . . . . . . 287 1 137 . 1 1 32 32 PHE HA H 1 4.4 . . 1 . . . . . . . . 287 1 138 . 1 1 32 32 PHE HB2 H 1 2.8 . . 2 . . . . . . . . 287 1 139 . 1 1 32 32 PHE HB3 H 1 3.43 . . 2 . . . . . . . . 287 1 140 . 1 1 32 32 PHE HD1 H 1 7.63 . . 1 . . . . . . . . 287 1 141 . 1 1 32 32 PHE HD2 H 1 7.63 . . 1 . . . . . . . . 287 1 142 . 1 1 32 32 PHE HE1 H 1 7.35 . . 1 . . . . . . . . 287 1 143 . 1 1 32 32 PHE HE2 H 1 7.35 . . 1 . . . . . . . . 287 1 144 . 1 1 32 32 PHE HZ H 1 7.31 . . 1 . . . . . . . . 287 1 145 . 1 1 32 32 PHE N N 15 114.8 . . 1 . . . . . . . . 287 1 146 . 1 1 33 33 GLY H H 1 7.81 . . 1 . . . . . . . . 287 1 147 . 1 1 33 33 GLY HA2 H 1 3.74 . . 2 . . . . . . . . 287 1 148 . 1 1 33 33 GLY HA3 H 1 3.97 . . 2 . . . . . . . . 287 1 149 . 1 1 33 33 GLY N N 15 106.4 . . 1 . . . . . . . . 287 1 150 . 1 1 34 34 TYR H H 1 8.09 . . 1 . . . . . . . . 287 1 151 . 1 1 34 34 TYR HA H 1 4.93 . . 1 . . . . . . . . 287 1 152 . 1 1 34 34 TYR HB2 H 1 2.98 . . 2 . . . . . . . . 287 1 153 . 1 1 34 34 TYR HB3 H 1 3.34 . . 2 . . . . . . . . 287 1 154 . 1 1 34 34 TYR HD1 H 1 7.25 . . 1 . . . . . . . . 287 1 155 . 1 1 34 34 TYR HD2 H 1 7.25 . . 1 . . . . . . . . 287 1 156 . 1 1 34 34 TYR HE1 H 1 6.87 . . 1 . . . . . . . . 287 1 157 . 1 1 34 34 TYR HE2 H 1 6.87 . . 1 . . . . . . . . 287 1 158 . 1 1 34 34 TYR N N 15 118.7 . . 1 . . . . . . . . 287 1 159 . 1 1 35 35 ALA H H 1 8.38 . . 1 . . . . . . . . 287 1 160 . 1 1 35 35 ALA HA H 1 4.62 . . 1 . . . . . . . . 287 1 161 . 1 1 35 35 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 287 1 162 . 1 1 35 35 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 287 1 163 . 1 1 35 35 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 287 1 164 . 1 1 35 35 ALA N N 15 119.6 . . 1 . . . . . . . . 287 1 165 . 1 1 36 36 PRO HG2 H 1 1.53 . . 1 . . . . . . . . 287 1 166 . 1 1 36 36 PRO HG3 H 1 1.53 . . 1 . . . . . . . . 287 1 167 . 1 1 36 36 PRO HD2 H 1 3.89 . . 2 . . . . . . . . 287 1 168 . 1 1 36 36 PRO HD3 H 1 3.96 . . 2 . . . . . . . . 287 1 169 . 1 1 37 37 THR HA H 1 4.28 . . 1 . . . . . . . . 287 1 170 . 1 1 37 37 THR HB H 1 4.46 . . 1 . . . . . . . . 287 1 171 . 1 1 38 38 THR H H 1 7.72 . . 1 . . . . . . . . 287 1 172 . 1 1 38 38 THR HA H 1 3.78 . . 1 . . . . . . . . 287 1 173 . 1 1 38 38 THR HB H 1 4.02 . . 1 . . . . . . . . 287 1 174 . 1 1 38 38 THR N N 15 118.2 . . 1 . . . . . . . . 287 1 175 . 1 1 39 39 LEU H H 1 7.8 . . 1 . . . . . . . . 287 1 176 . 1 1 39 39 LEU HA H 1 4.29 . . 1 . . . . . . . . 287 1 177 . 1 1 39 39 LEU HB2 H 1 1.69 . . 2 . . . . . . . . 287 1 178 . 1 1 39 39 LEU HB3 H 1 1.78 . . 2 . . . . . . . . 287 1 179 . 1 1 39 39 LEU HG H 1 1.47 . . 1 . . . . . . . . 287 1 180 . 1 1 39 39 LEU N N 15 120.3 . . 1 . . . . . . . . 287 1 181 . 1 1 40 40 ALA H H 1 8.3 . . 1 . . . . . . . . 287 1 182 . 1 1 40 40 ALA HA H 1 4.01 . . 1 . . . . . . . . 287 1 183 . 1 1 40 40 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 287 1 184 . 1 1 40 40 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 287 1 185 . 1 1 40 40 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 287 1 186 . 1 1 40 40 ALA N N 15 118.6 . . 1 . . . . . . . . 287 1 187 . 1 1 41 41 ASN H H 1 8.25 . . 1 . . . . . . . . 287 1 188 . 1 1 41 41 ASN HA H 1 4.51 . . 1 . . . . . . . . 287 1 189 . 1 1 41 41 ASN HB2 H 1 2.63 . . 2 . . . . . . . . 287 1 190 . 1 1 41 41 ASN HB3 H 1 2.94 . . 2 . . . . . . . . 287 1 191 . 1 1 41 41 ASN ND2 N 15 111.8 . . 1 . . . . . . . . 287 1 192 . 1 1 41 41 ASN HD21 H 1 6.96 . . 2 . . . . . . . . 287 1 193 . 1 1 41 41 ASN HD22 H 1 7.11 . . 2 . . . . . . . . 287 1 194 . 1 1 41 41 ASN N N 15 118.2 . . 1 . . . . . . . . 287 1 195 . 1 1 42 42 ALA H H 1 8.2 . . 1 . . . . . . . . 287 1 196 . 1 1 42 42 ALA HA H 1 4.85 . . 1 . . . . . . . . 287 1 197 . 1 1 42 42 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 287 1 198 . 1 1 42 42 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 287 1 199 . 1 1 42 42 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 287 1 200 . 1 1 42 42 ALA N N 15 118.8 . . 1 . . . . . . . . 287 1 201 . 1 1 43 43 LEU H H 1 7.77 . . 1 . . . . . . . . 287 1 202 . 1 1 43 43 LEU HA H 1 4.48 . . 1 . . . . . . . . 287 1 203 . 1 1 43 43 LEU HB2 H 1 2.18 . . 1 . . . . . . . . 287 1 204 . 1 1 43 43 LEU HB3 H 1 2.18 . . 1 . . . . . . . . 287 1 205 . 1 1 43 43 LEU HG H 1 1.98 . . 1 . . . . . . . . 287 1 206 . 1 1 43 43 LEU HD11 H 1 1.12 . . 2 . . . . . . . . 287 1 207 . 1 1 43 43 LEU HD12 H 1 1.12 . . 2 . . . . . . . . 287 1 208 . 1 1 43 43 LEU HD13 H 1 1.12 . . 2 . . . . . . . . 287 1 209 . 1 1 43 43 LEU HD21 H 1 1.18 . . 2 . . . . . . . . 287 1 210 . 1 1 43 43 LEU HD22 H 1 1.18 . . 2 . . . . . . . . 287 1 211 . 1 1 43 43 LEU HD23 H 1 1.18 . . 2 . . . . . . . . 287 1 212 . 1 1 43 43 LEU N N 15 113.8 . . 1 . . . . . . . . 287 1 213 . 1 1 44 44 GLU H H 1 7.37 . . 1 . . . . . . . . 287 1 214 . 1 1 44 44 GLU HA H 1 4.45 . . 1 . . . . . . . . 287 1 215 . 1 1 44 44 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 287 1 216 . 1 1 44 44 GLU HB3 H 1 2.18 . . 2 . . . . . . . . 287 1 217 . 1 1 44 44 GLU HG2 H 1 2.27 . . 2 . . . . . . . . 287 1 218 . 1 1 44 44 GLU HG3 H 1 2.33 . . 2 . . . . . . . . 287 1 219 . 1 1 44 44 GLU N N 15 115.4 . . 1 . . . . . . . . 287 1 220 . 1 1 45 45 ARG H H 1 8.05 . . 1 . . . . . . . . 287 1 221 . 1 1 45 45 ARG HA H 1 4.48 . . 1 . . . . . . . . 287 1 222 . 1 1 45 45 ARG HB2 H 1 1.65 . . 2 . . . . . . . . 287 1 223 . 1 1 45 45 ARG HB3 H 1 1.75 . . 2 . . . . . . . . 287 1 224 . 1 1 45 45 ARG HG2 H 1 1.37 . . 2 . . . . . . . . 287 1 225 . 1 1 45 45 ARG HG3 H 1 1.56 . . 2 . . . . . . . . 287 1 226 . 1 1 45 45 ARG HD2 H 1 3.08 . . 1 . . . . . . . . 287 1 227 . 1 1 45 45 ARG HD3 H 1 3.08 . . 1 . . . . . . . . 287 1 228 . 1 1 45 45 ARG N N 15 118.2 . . 1 . . . . . . . . 287 1 229 . 1 1 46 46 HIS H H 1 8.36 . . 1 . . . . . . . . 287 1 230 . 1 1 46 46 HIS HA H 1 4.6 . . 1 . . . . . . . . 287 1 231 . 1 1 46 46 HIS HB2 H 1 2.78 . . 2 . . . . . . . . 287 1 232 . 1 1 46 46 HIS HB3 H 1 3.22 . . 2 . . . . . . . . 287 1 233 . 1 1 46 46 HIS HD2 H 1 7.12 . . 1 . . . . . . . . 287 1 234 . 1 1 46 46 HIS HE1 H 1 7.68 . . 1 . . . . . . . . 287 1 235 . 1 1 46 46 HIS N N 15 121.7 . . 1 . . . . . . . . 287 1 236 . 1 1 47 47 TRP H H 1 7.82 . . 1 . . . . . . . . 287 1 237 . 1 1 47 47 TRP HA H 1 4.96 . . 1 . . . . . . . . 287 1 238 . 1 1 47 47 TRP HB2 H 1 3.1 . . 2 . . . . . . . . 287 1 239 . 1 1 47 47 TRP HB3 H 1 3.3 . . 2 . . . . . . . . 287 1 240 . 1 1 47 47 TRP NE1 N 15 130.7 . . 1 . . . . . . . . 287 1 241 . 1 1 47 47 TRP HD1 H 1 7.24 . . 1 . . . . . . . . 287 1 242 . 1 1 47 47 TRP HE1 H 1 10.57 . . 1 . . . . . . . . 287 1 243 . 1 1 47 47 TRP HE3 H 1 7.25 . . 1 . . . . . . . . 287 1 244 . 1 1 47 47 TRP HZ2 H 1 7.29 . . 1 . . . . . . . . 287 1 245 . 1 1 47 47 TRP HZ3 H 1 6.73 . . 1 . . . . . . . . 287 1 246 . 1 1 47 47 TRP HH2 H 1 6.93 . . 1 . . . . . . . . 287 1 247 . 1 1 47 47 TRP N N 15 127.1 . . 1 . . . . . . . . 287 1 248 . 1 1 48 48 PRO HD2 H 1 3.64 . . 1 . . . . . . . . 287 1 249 . 1 1 48 48 PRO HD3 H 1 2.46 . . 1 . . . . . . . . 287 1 250 . 1 1 49 49 LYS H H 1 7.73 . . 1 . . . . . . . . 287 1 251 . 1 1 49 49 LYS HA H 1 3.67 . . 1 . . . . . . . . 287 1 252 . 1 1 49 49 LYS HB2 H 1 1.19 . . 2 . . . . . . . . 287 1 253 . 1 1 49 49 LYS HB3 H 1 1.69 . . 2 . . . . . . . . 287 1 254 . 1 1 49 49 LYS N N 15 115.2 . . 1 . . . . . . . . 287 1 255 . 1 1 50 50 GLY H H 1 4.53 . . 1 . . . . . . . . 287 1 256 . 1 1 50 50 GLY HA2 H 1 2.2 . . 2 . . . . . . . . 287 1 257 . 1 1 50 50 GLY HA3 H 1 2.73 . . 2 . . . . . . . . 287 1 258 . 1 1 50 50 GLY N N 15 101.7 . . 1 . . . . . . . . 287 1 259 . 1 1 51 51 GLU H H 1 7.73 . . 1 . . . . . . . . 287 1 260 . 1 1 51 51 GLU HA H 1 3.65 . . 1 . . . . . . . . 287 1 261 . 1 1 51 51 GLU HB2 H 1 2.1 . . 1 . . . . . . . . 287 1 262 . 1 1 51 51 GLU HB3 H 1 2.1 . . 1 . . . . . . . . 287 1 263 . 1 1 51 51 GLU HG2 H 1 1.22 . . 2 . . . . . . . . 287 1 264 . 1 1 51 51 GLU HG3 H 1 2.42 . . 2 . . . . . . . . 287 1 265 . 1 1 51 51 GLU N N 15 118.9 . . 1 . . . . . . . . 287 1 266 . 1 1 52 52 GLN H H 1 8.06 . . 1 . . . . . . . . 287 1 267 . 1 1 52 52 GLN HA H 1 3.76 . . 1 . . . . . . . . 287 1 268 . 1 1 52 52 GLN HB2 H 1 2.04 . . 2 . . . . . . . . 287 1 269 . 1 1 52 52 GLN HB3 H 1 2.11 . . 2 . . . . . . . . 287 1 270 . 1 1 52 52 GLN HG2 H 1 2.47 . . 2 . . . . . . . . 287 1 271 . 1 1 52 52 GLN HG3 H 1 2.37 . . 2 . . . . . . . . 287 1 272 . 1 1 52 52 GLN NE2 N 15 110.7 . . 1 . . . . . . . . 287 1 273 . 1 1 52 52 GLN HE21 H 1 6.8 . . 2 . . . . . . . . 287 1 274 . 1 1 52 52 GLN HE22 H 1 7.47 . . 2 . . . . . . . . 287 1 275 . 1 1 52 52 GLN N N 15 117.6 . . 1 . . . . . . . . 287 1 276 . 1 1 53 53 ILE H H 1 7.39 . . 1 . . . . . . . . 287 1 277 . 1 1 53 53 ILE HA H 1 3.34 . . 1 . . . . . . . . 287 1 278 . 1 1 53 53 ILE HB H 1 1.55 . . 1 . . . . . . . . 287 1 279 . 1 1 53 53 ILE HG21 H 1 .81 . . 1 . . . . . . . . 287 1 280 . 1 1 53 53 ILE HG22 H 1 .81 . . 1 . . . . . . . . 287 1 281 . 1 1 53 53 ILE HG23 H 1 .81 . . 1 . . . . . . . . 287 1 282 . 1 1 53 53 ILE HD11 H 1 .02 . . 1 . . . . . . . . 287 1 283 . 1 1 53 53 ILE HD12 H 1 .02 . . 1 . . . . . . . . 287 1 284 . 1 1 53 53 ILE HD13 H 1 .02 . . 1 . . . . . . . . 287 1 285 . 1 1 53 53 ILE N N 15 119.6 . . 1 . . . . . . . . 287 1 286 . 1 1 54 54 ILE H H 1 7.7 . . 1 . . . . . . . . 287 1 287 . 1 1 54 54 ILE HA H 1 3.35 . . 1 . . . . . . . . 287 1 288 . 1 1 54 54 ILE HB H 1 1.91 . . 1 . . . . . . . . 287 1 289 . 1 1 54 54 ILE HG21 H 1 .49 . . 1 . . . . . . . . 287 1 290 . 1 1 54 54 ILE HG22 H 1 .49 . . 1 . . . . . . . . 287 1 291 . 1 1 54 54 ILE HG23 H 1 .49 . . 1 . . . . . . . . 287 1 292 . 1 1 54 54 ILE HD11 H 1 .66 . . 1 . . . . . . . . 287 1 293 . 1 1 54 54 ILE HD12 H 1 .66 . . 1 . . . . . . . . 287 1 294 . 1 1 54 54 ILE HD13 H 1 .66 . . 1 . . . . . . . . 287 1 295 . 1 1 54 54 ILE N N 15 119.2 . . 1 . . . . . . . . 287 1 296 . 1 1 55 55 ALA H H 1 8.82 . . 1 . . . . . . . . 287 1 297 . 1 1 55 55 ALA HA H 1 3.56 . . 1 . . . . . . . . 287 1 298 . 1 1 55 55 ALA HB1 H 1 1.1 . . 1 . . . . . . . . 287 1 299 . 1 1 55 55 ALA HB2 H 1 1.1 . . 1 . . . . . . . . 287 1 300 . 1 1 55 55 ALA HB3 H 1 1.1 . . 1 . . . . . . . . 287 1 301 . 1 1 55 55 ALA N N 15 119.3 . . 1 . . . . . . . . 287 1 302 . 1 1 56 56 ASN H H 1 8.51 . . 1 . . . . . . . . 287 1 303 . 1 1 56 56 ASN HA H 1 4.47 . . 1 . . . . . . . . 287 1 304 . 1 1 56 56 ASN HB2 H 1 2.79 . . 2 . . . . . . . . 287 1 305 . 1 1 56 56 ASN HB3 H 1 2.97 . . 2 . . . . . . . . 287 1 306 . 1 1 56 56 ASN ND2 N 15 111.8 . . 1 . . . . . . . . 287 1 307 . 1 1 56 56 ASN HD21 H 1 6.94 . . 2 . . . . . . . . 287 1 308 . 1 1 56 56 ASN HD22 H 1 7.79 . . 2 . . . . . . . . 287 1 309 . 1 1 56 56 ASN N N 15 115.3 . . 1 . . . . . . . . 287 1 310 . 1 1 57 57 ALA H H 1 7.6 . . 1 . . . . . . . . 287 1 311 . 1 1 57 57 ALA HA H 1 4.16 . . 1 . . . . . . . . 287 1 312 . 1 1 57 57 ALA HB1 H 1 1.58 . . 1 . . . . . . . . 287 1 313 . 1 1 57 57 ALA HB2 H 1 1.58 . . 1 . . . . . . . . 287 1 314 . 1 1 57 57 ALA HB3 H 1 1.58 . . 1 . . . . . . . . 287 1 315 . 1 1 57 57 ALA N N 15 124 . . 1 . . . . . . . . 287 1 316 . 1 1 58 58 LEU H H 1 7.24 . . 1 . . . . . . . . 287 1 317 . 1 1 58 58 LEU HA H 1 4.18 . . 1 . . . . . . . . 287 1 318 . 1 1 58 58 LEU N N 15 114.7 . . 1 . . . . . . . . 287 1 319 . 1 1 59 59 GLU H H 1 7.82 . . 1 . . . . . . . . 287 1 320 . 1 1 59 59 GLU HA H 1 3.91 . . 1 . . . . . . . . 287 1 321 . 1 1 59 59 GLU HB2 H 1 2.22 . . 1 . . . . . . . . 287 1 322 . 1 1 59 59 GLU HB3 H 1 2.22 . . 1 . . . . . . . . 287 1 323 . 1 1 59 59 GLU N N 15 114.8 . . 1 . . . . . . . . 287 1 324 . 1 1 60 60 THR H H 1 8.18 . . 1 . . . . . . . . 287 1 325 . 1 1 60 60 THR HA H 1 4.69 . . 1 . . . . . . . . 287 1 326 . 1 1 60 60 THR HB H 1 3.87 . . 1 . . . . . . . . 287 1 327 . 1 1 60 60 THR HG21 H 1 .86 . . 1 . . . . . . . . 287 1 328 . 1 1 60 60 THR HG22 H 1 .86 . . 1 . . . . . . . . 287 1 329 . 1 1 60 60 THR HG23 H 1 .86 . . 1 . . . . . . . . 287 1 330 . 1 1 60 60 THR N N 15 114.2 . . 1 . . . . . . . . 287 1 331 . 1 1 61 61 LYS H H 1 8.3 . . 1 . . . . . . . . 287 1 332 . 1 1 61 61 LYS HA H 1 4.81 . . 1 . . . . . . . . 287 1 333 . 1 1 61 61 LYS HB2 H 1 3.94 . . 1 . . . . . . . . 287 1 334 . 1 1 61 61 LYS HB3 H 1 3.94 . . 1 . . . . . . . . 287 1 335 . 1 1 62 62 PRO HD2 H 1 3.86 . . 1 . . . . . . . . 287 1 336 . 1 1 62 62 PRO HD3 H 1 3.7 . . 1 . . . . . . . . 287 1 337 . 1 1 63 63 GLU H H 1 9.63 . . 1 . . . . . . . . 287 1 338 . 1 1 63 63 GLU HA H 1 3.55 . . 1 . . . . . . . . 287 1 339 . 1 1 63 63 GLU N N 15 114.6 . . 1 . . . . . . . . 287 1 340 . 1 1 64 64 VAL H H 1 7.17 . . 1 . . . . . . . . 287 1 341 . 1 1 64 64 VAL HA H 1 3.66 . . 1 . . . . . . . . 287 1 342 . 1 1 64 64 VAL HB H 1 2.13 . . 1 . . . . . . . . 287 1 343 . 1 1 64 64 VAL HG11 H 1 .93 . . 1 . . . . . . . . 287 1 344 . 1 1 64 64 VAL HG12 H 1 .93 . . 1 . . . . . . . . 287 1 345 . 1 1 64 64 VAL HG13 H 1 .93 . . 1 . . . . . . . . 287 1 346 . 1 1 64 64 VAL HG21 H 1 .87 . . 1 . . . . . . . . 287 1 347 . 1 1 64 64 VAL HG22 H 1 .87 . . 1 . . . . . . . . 287 1 348 . 1 1 64 64 VAL HG23 H 1 .87 . . 1 . . . . . . . . 287 1 349 . 1 1 64 64 VAL N N 15 119.4 . . 1 . . . . . . . . 287 1 350 . 1 1 65 65 ILE H H 1 6.07 . . 1 . . . . . . . . 287 1 351 . 1 1 65 65 ILE HA H 1 1.87 . . 1 . . . . . . . . 287 1 352 . 1 1 65 65 ILE HB H 1 .3 . . 1 . . . . . . . . 287 1 353 . 1 1 65 65 ILE HG12 H 1 -1.79 . . 1 . . . . . . . . 287 1 354 . 1 1 65 65 ILE HG13 H 1 -1.79 . . 1 . . . . . . . . 287 1 355 . 1 1 65 65 ILE HG21 H 1 -1.57 . . 1 . . . . . . . . 287 1 356 . 1 1 65 65 ILE HG22 H 1 -1.57 . . 1 . . . . . . . . 287 1 357 . 1 1 65 65 ILE HG23 H 1 -1.57 . . 1 . . . . . . . . 287 1 358 . 1 1 65 65 ILE HD11 H 1 -.35 . . 1 . . . . . . . . 287 1 359 . 1 1 65 65 ILE HD12 H 1 -.35 . . 1 . . . . . . . . 287 1 360 . 1 1 65 65 ILE HD13 H 1 -.35 . . 1 . . . . . . . . 287 1 361 . 1 1 65 65 ILE N N 15 118.9 . . 1 . . . . . . . . 287 1 362 . 1 1 66 66 TRP H H 1 7.98 . . 1 . . . . . . . . 287 1 363 . 1 1 66 66 TRP HA H 1 5.08 . . 1 . . . . . . . . 287 1 364 . 1 1 66 66 TRP HB2 H 1 2.89 . . 2 . . . . . . . . 287 1 365 . 1 1 66 66 TRP HB3 H 1 3.2 . . 2 . . . . . . . . 287 1 366 . 1 1 66 66 TRP NE1 N 15 131.1 . . 1 . . . . . . . . 287 1 367 . 1 1 66 66 TRP HD1 H 1 7.11 . . 1 . . . . . . . . 287 1 368 . 1 1 66 66 TRP HE1 H 1 10.63 . . 1 . . . . . . . . 287 1 369 . 1 1 66 66 TRP HE3 H 1 7.79 . . 1 . . . . . . . . 287 1 370 . 1 1 66 66 TRP HZ2 H 1 7.03 . . 1 . . . . . . . . 287 1 371 . 1 1 66 66 TRP HZ3 H 1 6.88 . . 1 . . . . . . . . 287 1 372 . 1 1 66 66 TRP HH2 H 1 6.77 . . 1 . . . . . . . . 287 1 373 . 1 1 66 66 TRP N N 15 112.8 . . 1 . . . . . . . . 287 1 374 . 1 1 67 67 PRO HG2 H 1 4.92 . . 1 . . . . . . . . 287 1 375 . 1 1 67 67 PRO HG3 H 1 4.92 . . 1 . . . . . . . . 287 1 376 . 1 1 67 67 PRO HD2 H 1 3.81 . . 1 . . . . . . . . 287 1 377 . 1 1 67 67 PRO HD3 H 1 3.13 . . 1 . . . . . . . . 287 1 378 . 1 1 68 68 SER H H 1 9.69 . . 1 . . . . . . . . 287 1 379 . 1 1 68 68 SER HA H 1 4.1 . . 1 . . . . . . . . 287 1 380 . 1 1 68 68 SER HB2 H 1 3.9 . . 1 . . . . . . . . 287 1 381 . 1 1 68 68 SER HB3 H 1 3.9 . . 1 . . . . . . . . 287 1 382 . 1 1 68 68 SER N N 15 114.5 . . 1 . . . . . . . . 287 1 383 . 1 1 69 69 ARG H H 1 7.98 . . 1 . . . . . . . . 287 1 384 . 1 1 69 69 ARG HA H 1 4.02 . . 1 . . . . . . . . 287 1 385 . 1 1 69 69 ARG N N 15 120.5 . . 1 . . . . . . . . 287 1 386 . 1 1 70 70 TYR H H 1 7.47 . . 1 . . . . . . . . 287 1 387 . 1 1 70 70 TYR HA H 1 4.37 . . 1 . . . . . . . . 287 1 388 . 1 1 70 70 TYR HB2 H 1 2.44 . . 2 . . . . . . . . 287 1 389 . 1 1 70 70 TYR HB3 H 1 3.35 . . 2 . . . . . . . . 287 1 390 . 1 1 70 70 TYR HD1 H 1 7.36 . . 1 . . . . . . . . 287 1 391 . 1 1 70 70 TYR HD2 H 1 7.36 . . 1 . . . . . . . . 287 1 392 . 1 1 70 70 TYR HE1 H 1 6.77 . . 1 . . . . . . . . 287 1 393 . 1 1 70 70 TYR HE2 H 1 6.77 . . 1 . . . . . . . . 287 1 394 . 1 1 70 70 TYR N N 15 117.6 . . 1 . . . . . . . . 287 1 395 . 1 1 71 71 GLN H H 1 7.88 . . 1 . . . . . . . . 287 1 396 . 1 1 71 71 GLN HA H 1 4.38 . . 1 . . . . . . . . 287 1 397 . 1 1 71 71 GLN HB2 H 1 2.02 . . 2 . . . . . . . . 287 1 398 . 1 1 71 71 GLN HB3 H 1 2.15 . . 2 . . . . . . . . 287 1 399 . 1 1 71 71 GLN HG2 H 1 2.39 . . 1 . . . . . . . . 287 1 400 . 1 1 71 71 GLN HG3 H 1 2.39 . . 1 . . . . . . . . 287 1 401 . 1 1 71 71 GLN NE2 N 15 112.3 . . 1 . . . . . . . . 287 1 402 . 1 1 71 71 GLN HE21 H 1 6.84 . . 2 . . . . . . . . 287 1 403 . 1 1 71 71 GLN HE22 H 1 7.54 . . 2 . . . . . . . . 287 1 404 . 1 1 71 71 GLN N N 15 119.7 . . 1 . . . . . . . . 287 1 405 . 1 1 72 72 ALA H H 1 8.43 . . 1 . . . . . . . . 287 1 406 . 1 1 72 72 ALA HA H 1 4.38 . . 1 . . . . . . . . 287 1 407 . 1 1 72 72 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 287 1 408 . 1 1 72 72 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 287 1 409 . 1 1 72 72 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 287 1 410 . 1 1 72 72 ALA N N 15 125.2 . . 1 . . . . . . . . 287 1 411 . 1 1 73 73 GLY HA2 H 1 3.93 . . 2 . . . . . . . . 287 1 412 . 1 1 73 73 GLY HA3 H 1 3.99 . . 2 . . . . . . . . 287 1 413 . 1 1 74 74 GLU H H 1 7.9 . . 1 . . . . . . . . 287 1 414 . 1 1 74 74 GLU HA H 1 4.15 . . 1 . . . . . . . . 287 1 415 . 1 1 74 74 GLU N N 15 125.3 . . 1 . . . . . . . . 287 1 stop_ save_