data_4895 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4895 _Entry.Title ; Solution NMR Structure of the Cold-shock Protein from the Hyperthermophilic Bacterium Thermotoga maritima ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-11-07 _Entry.Accession_date 2000-11-07 _Entry.Last_release_date 2001-11-14 _Entry.Original_release_date 2001-11-14 _Entry.Origination author _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 Werner Kremer . . . 4895 2 Benjamin Schuler . . . 4895 3 Stefan Harrieder . . . 4895 4 Matthias Geyer . . . 4895 5 Wolfram Gronwald . . . 4895 6 Christine Welker . . . 4895 7 Rainer Jaenicke . . . 4895 8 'Hans Robert' Kalbitzer . . . 4895 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4895 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 469 4895 '13C chemical shifts' 254 4895 '15N chemical shifts' 69 4895 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 . . 2001-11-14 2000-11-07 original author . 4895 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4895 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21223006 _Citation.DOI . _Citation.PubMed_ID 11322871 _Citation.Full_citation . _Citation.Title ; Solution NMR Structure of the Cold-shock Protein from the Hyperthermophilic Bacterium Thermotoga maritima ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full 'European Journal of Biochemistry' _Citation.Journal_volume 268 _Citation.Journal_issue 9 _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 2527 _Citation.Page_last 2539 _Citation.Year 2001 _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 Werner Kremer . . . 4895 1 2 Benjamin Schuler . . . 4895 1 3 Stefan Harrieder . . . 4895 1 4 Matthias Geyer . . . 4895 1 5 Wolfram Gronwald . . . 4895 1 6 Christine Welker . . . 4895 1 7 Rainer Jaenicke . . . 4895 1 8 'Hans Robert' Kalbitzer . . . 4895 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cold shock protein' 4895 1 hyperthermophiles 4895 1 'Themotoga maritima' 4895 1 'NMR spectroscopy' 4895 1 'structure determination' 4895 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_TmCsp _Assembly.Sf_category assembly _Assembly.Sf_framecode TmCsp _Assembly.Entry_ID 4895 _Assembly.ID 1 _Assembly.Name TmCsp _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4895 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'TmCsp full length protein' 1 $Csp . . . native . . . . . 4895 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID TmCsp system 4895 1 TmCsp abbreviation 4895 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Csp _Entity.Sf_category entity _Entity.Sf_framecode Csp _Entity.Entry_ID 4895 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Csp _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 ; MRGKVKWFDSKKGYGFITKD EGGDVFVHWSAIEMEGFKTL KEGQVVEFEIQEGKKGPQAA HVKVVE ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7474 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1G6P . "Solution Nmr Structure Of The Cold Shock Protein From The Hyperthermophilic Bacterium Thermotoga Maritima" . . . . . 100.00 66 100.00 100.00 1.81e-37 . . . . 4895 1 2 no EMBL CAA72105 . "cold shock protein [Thermotoga maritima MSB8]" . . . . . 100.00 66 100.00 100.00 1.81e-37 . . . . 4895 1 3 no GB AAD36750 . "cold shock protein [Thermotoga maritima MSB8]" . . . . . 100.00 66 100.00 100.00 1.81e-37 . . . . 4895 1 4 no GB ABQ46997 . "cold-shock DNA-binding protein family [Thermotoga petrophila RKU-1]" . . . . . 100.00 66 96.97 100.00 1.04e-36 . . . . 4895 1 5 no GB ACB09496 . "cold-shock DNA-binding domain protein [Thermotoga sp. RQ2]" . . . . . 100.00 66 96.97 100.00 1.04e-36 . . . . 4895 1 6 no GB ADA67210 . "cold-shock DNA-binding domain protein [Thermotoga naphthophila RKU-10]" . . . . . 100.00 66 96.97 100.00 1.04e-36 . . . . 4895 1 7 no GB AGL50615 . "Cold shock protein CspG [Thermotoga maritima MSB8]" . . . . . 100.00 66 100.00 100.00 1.81e-37 . . . . 4895 1 8 no REF NP_229483 . "cold shock protein [Thermotoga maritima MSB8]" . . . . . 100.00 66 100.00 100.00 1.81e-37 . . . . 4895 1 9 no REF WP_004082199 . "cold-shock protein [Thermotoga maritima]" . . . . . 100.00 66 100.00 100.00 1.81e-37 . . . . 4895 1 10 no REF WP_008194648 . "cold-shock protein [Thermotoga sp. EMP]" . . . . . 100.00 66 98.48 100.00 3.96e-37 . . . . 4895 1 11 no REF WP_011943539 . "MULTISPECIES: cold-shock protein [Thermotoga]" . . . . . 100.00 66 96.97 100.00 1.04e-36 . . . . 4895 1 12 no REF YP_001244573 . "cold-shock DNA-binding domain-containing protein [Thermotoga petrophila RKU-1]" . . . . . 100.00 66 96.97 100.00 1.04e-36 . . . . 4895 1 13 no SP O54310 . "RecName: Full=Cold shock-like protein [Thermotoga maritima MSB8]" . . . . . 100.00 66 100.00 100.00 1.81e-37 . . . . 4895 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Csp common 4895 1 'cold shock protein' variant 4895 1 Csp abbreviation 4895 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 . MET . 4895 1 2 . ARG . 4895 1 3 . GLY . 4895 1 4 . LYS . 4895 1 5 . VAL . 4895 1 6 . LYS . 4895 1 7 . TRP . 4895 1 8 . PHE . 4895 1 9 . ASP . 4895 1 10 . SER . 4895 1 11 . LYS . 4895 1 12 . LYS . 4895 1 13 . GLY . 4895 1 14 . TYR . 4895 1 15 . GLY . 4895 1 16 . PHE . 4895 1 17 . ILE . 4895 1 18 . THR . 4895 1 19 . LYS . 4895 1 20 . ASP . 4895 1 21 . GLU . 4895 1 22 . GLY . 4895 1 23 . GLY . 4895 1 24 . ASP . 4895 1 25 . VAL . 4895 1 26 . PHE . 4895 1 27 . VAL . 4895 1 28 . HIS . 4895 1 29 . TRP . 4895 1 30 . SER . 4895 1 31 . ALA . 4895 1 32 . ILE . 4895 1 33 . GLU . 4895 1 34 . MET . 4895 1 35 . GLU . 4895 1 36 . GLY . 4895 1 37 . PHE . 4895 1 38 . LYS . 4895 1 39 . THR . 4895 1 40 . LEU . 4895 1 41 . LYS . 4895 1 42 . GLU . 4895 1 43 . GLY . 4895 1 44 . GLN . 4895 1 45 . VAL . 4895 1 46 . VAL . 4895 1 47 . GLU . 4895 1 48 . PHE . 4895 1 49 . GLU . 4895 1 50 . ILE . 4895 1 51 . GLN . 4895 1 52 . GLU . 4895 1 53 . GLY . 4895 1 54 . LYS . 4895 1 55 . LYS . 4895 1 56 . GLY . 4895 1 57 . PRO . 4895 1 58 . GLN . 4895 1 59 . ALA . 4895 1 60 . ALA . 4895 1 61 . HIS . 4895 1 62 . VAL . 4895 1 63 . LYS . 4895 1 64 . VAL . 4895 1 65 . VAL . 4895 1 66 . GLU . 4895 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 4895 1 . ARG 2 2 4895 1 . GLY 3 3 4895 1 . LYS 4 4 4895 1 . VAL 5 5 4895 1 . LYS 6 6 4895 1 . TRP 7 7 4895 1 . PHE 8 8 4895 1 . ASP 9 9 4895 1 . SER 10 10 4895 1 . LYS 11 11 4895 1 . LYS 12 12 4895 1 . GLY 13 13 4895 1 . TYR 14 14 4895 1 . GLY 15 15 4895 1 . PHE 16 16 4895 1 . ILE 17 17 4895 1 . THR 18 18 4895 1 . LYS 19 19 4895 1 . ASP 20 20 4895 1 . GLU 21 21 4895 1 . GLY 22 22 4895 1 . GLY 23 23 4895 1 . ASP 24 24 4895 1 . VAL 25 25 4895 1 . PHE 26 26 4895 1 . VAL 27 27 4895 1 . HIS 28 28 4895 1 . TRP 29 29 4895 1 . SER 30 30 4895 1 . ALA 31 31 4895 1 . ILE 32 32 4895 1 . GLU 33 33 4895 1 . MET 34 34 4895 1 . GLU 35 35 4895 1 . GLY 36 36 4895 1 . PHE 37 37 4895 1 . LYS 38 38 4895 1 . THR 39 39 4895 1 . LEU 40 40 4895 1 . LYS 41 41 4895 1 . GLU 42 42 4895 1 . GLY 43 43 4895 1 . GLN 44 44 4895 1 . VAL 45 45 4895 1 . VAL 46 46 4895 1 . GLU 47 47 4895 1 . PHE 48 48 4895 1 . GLU 49 49 4895 1 . ILE 50 50 4895 1 . GLN 51 51 4895 1 . GLU 52 52 4895 1 . GLY 53 53 4895 1 . LYS 54 54 4895 1 . LYS 55 55 4895 1 . GLY 56 56 4895 1 . PRO 57 57 4895 1 . GLN 58 58 4895 1 . ALA 59 59 4895 1 . ALA 60 60 4895 1 . HIS 61 61 4895 1 . VAL 62 62 4895 1 . LYS 63 63 4895 1 . VAL 64 64 4895 1 . VAL 65 65 4895 1 . GLU 66 66 4895 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 4895 _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 $Csp . 2336 . . 'Thermotoga maritima' . . . Eubacteria . Thermotoga maritima . . . . . . . . . . . . . . . . . . . . . 4895 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 4895 _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 $Csp . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4895 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4895 _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 . 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 Csp . . . 1 $Csp . . 1.5 . . mM . . . . 4895 1 stop_ save_ ####################### # Sample conditions # ####################### save_ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode ex-cond_1 _Sample_condition_list.Entry_ID 4895 _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 6.5 0.2 na 4895 1 temperature 303 2 K 4895 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4895 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4895 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4895 _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 NMR_spectrometer_1 Bruker DMX . 500 . . . 4895 1 2 NMR_spectrometer_2 Bruker DMX . 800 . . . 4895 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 4895 _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 NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4895 1 2 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4895 1 3 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4895 1 4 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4895 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4895 1 6 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4895 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4895 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4895 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4895 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4895 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4895 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4895 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4895 _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 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct . internal . parallel_to_Bo . . . . . . 4895 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4895 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' 1 $sample_1 . 4895 1 2 '1H-15N NOESY' 1 $sample_1 . 4895 1 3 '1H-15N TOCSY' 1 $sample_1 . 4895 1 4 HNCA 1 $sample_1 . 4895 1 5 CBCA(CO)NH 1 $sample_1 . 4895 1 6 HCCH-TOCSY 1 $sample_1 . 4895 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 1 1 MET C C 13 170.48 . . . . . . . . . . . 4895 1 2 . 1 1 1 1 MET CA C 13 54.68 . . . . . . . . . . . 4895 1 3 . 1 1 1 1 MET HA H 1 4.04 . . . . . . . . . . . 4895 1 4 . 1 1 1 1 MET CB C 13 32.71 . . . . . . . . . . . 4895 1 5 . 1 1 1 1 MET HB2 H 1 1.61 . . . . . . . . . . . 4895 1 6 . 1 1 1 1 MET HB3 H 1 1.61 . . . . . . . . . . . 4895 1 7 . 1 1 1 1 MET HG2 H 1 2.02 . . . . . . . . . . . 4895 1 8 . 1 1 1 1 MET HG3 H 1 2.2 . . . . . . . . . . . 4895 1 9 . 1 1 1 1 MET HE1 H 1 2.1 . . . . . . . . . . . 4895 1 10 . 1 1 1 1 MET HE2 H 1 2.1 . . . . . . . . . . . 4895 1 11 . 1 1 1 1 MET HE3 H 1 2.1 . . . . . . . . . . . 4895 1 12 . 1 1 2 2 ARG N N 15 120.7 . . . . . . . . . . . 4895 1 13 . 1 1 2 2 ARG H H 1 8.5 . . . . . . . . . . . 4895 1 14 . 1 1 2 2 ARG C C 13 176.41 . . . . . . . . . . . 4895 1 15 . 1 1 2 2 ARG CA C 13 54.11 . . . . . . . . . . . 4895 1 16 . 1 1 2 2 ARG HA H 1 5.53 . . . . . . . . . . . 4895 1 17 . 1 1 2 2 ARG CB C 13 33.75 . . . . . . . . . . . 4895 1 18 . 1 1 2 2 ARG HB2 H 1 1.88 . . . . . . . . . . . 4895 1 19 . 1 1 2 2 ARG HB3 H 1 1.91 . . . . . . . . . . . 4895 1 20 . 1 1 2 2 ARG HG2 H 1 1.75 . . . . . . . . . . . 4895 1 21 . 1 1 2 2 ARG HG3 H 1 1.76 . . . . . . . . . . . 4895 1 22 . 1 1 2 2 ARG HD2 H 1 3.17 . . . . . . . . . . . 4895 1 23 . 1 1 2 2 ARG HD3 H 1 3.21 . . . . . . . . . . . 4895 1 24 . 1 1 2 2 ARG HE H 1 7.66 . . . . . . . . . . . 4895 1 25 . 1 1 2 2 ARG CG C 13 28.05 . . . . . . . . . . . 4895 1 26 . 1 1 2 2 ARG CD C 13 43.55 . . . . . . . . . . . 4895 1 27 . 1 1 3 3 GLY N N 15 109.1 . . . . . . . . . . . 4895 1 28 . 1 1 3 3 GLY H H 1 8.72 . . . . . . . . . . . 4895 1 29 . 1 1 3 3 GLY C C 13 171.57 . . . . . . . . . . . 4895 1 30 . 1 1 3 3 GLY CA C 13 45.9 . . . . . . . . . . . 4895 1 31 . 1 1 3 3 GLY HA2 H 1 4.66 . . . . . . . . . . . 4895 1 32 . 1 1 3 3 GLY HA3 H 1 3.98 . . . . . . . . . . . 4895 1 33 . 1 1 4 4 LYS N N 15 119.8 . . . . . . . . . . . 4895 1 34 . 1 1 4 4 LYS H H 1 8.59 . . . . . . . . . . . 4895 1 35 . 1 1 4 4 LYS C C 13 176.09 . . . . . . . . . . . 4895 1 36 . 1 1 4 4 LYS CA C 13 54 . . . . . . . . . . . 4895 1 37 . 1 1 4 4 LYS HA H 1 5.6 . . . . . . . . . . . 4895 1 38 . 1 1 4 4 LYS CB C 13 36.51 . . . . . . . . . . . 4895 1 39 . 1 1 4 4 LYS HB2 H 1 1.65 . . . . . . . . . . . 4895 1 40 . 1 1 4 4 LYS HB3 H 1 1.61 . . . . . . . . . . . 4895 1 41 . 1 1 4 4 LYS HG2 H 1 1.48 . . . . . . . . . . . 4895 1 42 . 1 1 4 4 LYS HG3 H 1 1.39 . . . . . . . . . . . 4895 1 43 . 1 1 4 4 LYS HD2 H 1 1.68 . . . . . . . . . . . 4895 1 44 . 1 1 4 4 LYS HD3 H 1 1.74 . . . . . . . . . . . 4895 1 45 . 1 1 4 4 LYS HE2 H 1 3.03 . . . . . . . . . . . 4895 1 46 . 1 1 4 4 LYS HE3 H 1 3.03 . . . . . . . . . . . 4895 1 47 . 1 1 4 4 LYS CG C 13 24.91 . . . . . . . . . . . 4895 1 48 . 1 1 4 4 LYS CD C 13 29.13 . . . . . . . . . . . 4895 1 49 . 1 1 4 4 LYS CE C 13 41.86 . . . . . . . . . . . 4895 1 50 . 1 1 5 5 VAL N N 15 123.9 . . . . . . . . . . . 4895 1 51 . 1 1 5 5 VAL H H 1 9.07 . . . . . . . . . . . 4895 1 52 . 1 1 5 5 VAL C C 13 175.47 . . . . . . . . . . . 4895 1 53 . 1 1 5 5 VAL CA C 13 64.95 . . . . . . . . . . . 4895 1 54 . 1 1 5 5 VAL HA H 1 3.52 . . . . . . . . . . . 4895 1 55 . 1 1 5 5 VAL CB C 13 31.61 . . . . . . . . . . . 4895 1 56 . 1 1 5 5 VAL HB H 1 2.39 . . . . . . . . . . . 4895 1 57 . 1 1 5 5 VAL HG11 H 1 0.53 . . . . . . . . . . . 4895 1 58 . 1 1 5 5 VAL HG12 H 1 0.53 . . . . . . . . . . . 4895 1 59 . 1 1 5 5 VAL HG13 H 1 0.53 . . . . . . . . . . . 4895 1 60 . 1 1 5 5 VAL HG21 H 1 0.92 . . . . . . . . . . . 4895 1 61 . 1 1 5 5 VAL HG22 H 1 0.92 . . . . . . . . . . . 4895 1 62 . 1 1 5 5 VAL HG23 H 1 0.92 . . . . . . . . . . . 4895 1 63 . 1 1 5 5 VAL CG1 C 13 20.84 . . . . . . . . . . . 4895 1 64 . 1 1 5 5 VAL CG2 C 13 23.96 . . . . . . . . . . . 4895 1 65 . 1 1 6 6 LYS N N 15 135.9 . . . . . . . . . . . 4895 1 66 . 1 1 6 6 LYS H H 1 9.24 . . . . . . . . . . . 4895 1 67 . 1 1 6 6 LYS C C 13 176.87 . . . . . . . . . . . 4895 1 68 . 1 1 6 6 LYS CA C 13 58.76 . . . . . . . . . . . 4895 1 69 . 1 1 6 6 LYS HA H 1 4.26 . . . . . . . . . . . 4895 1 70 . 1 1 6 6 LYS CB C 13 34.25 . . . . . . . . . . . 4895 1 71 . 1 1 6 6 LYS HB2 H 1 1.58 . . . . . . . . . . . 4895 1 72 . 1 1 6 6 LYS HB3 H 1 2.09 . . . . . . . . . . . 4895 1 73 . 1 1 6 6 LYS HG2 H 1 1.59 . . . . . . . . . . . 4895 1 74 . 1 1 6 6 LYS HG3 H 1 1.63 . . . . . . . . . . . 4895 1 75 . 1 1 6 6 LYS HD2 H 1 1.74 . . . . . . . . . . . 4895 1 76 . 1 1 6 6 LYS HD3 H 1 1.74 . . . . . . . . . . . 4895 1 77 . 1 1 6 6 LYS HE2 H 1 3.03 . . . . . . . . . . . 4895 1 78 . 1 1 6 6 LYS HE3 H 1 3.03 . . . . . . . . . . . 4895 1 79 . 1 1 6 6 LYS CG C 13 25.38 . . . . . . . . . . . 4895 1 80 . 1 1 6 6 LYS CD C 13 29.13 . . . . . . . . . . . 4895 1 81 . 1 1 7 7 TRP N N 15 111 . . . . . . . . . . . 4895 1 82 . 1 1 7 7 TRP H H 1 7.55 . . . . . . . . . . . 4895 1 83 . 1 1 7 7 TRP C C 13 173.44 . . . . . . . . . . . 4895 1 84 . 1 1 7 7 TRP CA C 13 56.14 . . . . . . . . . . . 4895 1 85 . 1 1 7 7 TRP HA H 1 4.63 . . . . . . . . . . . 4895 1 86 . 1 1 7 7 TRP CB C 13 30.91 . . . . . . . . . . . 4895 1 87 . 1 1 7 7 TRP HB2 H 1 3.46 . . . . . . . . . . . 4895 1 88 . 1 1 7 7 TRP HB3 H 1 3.54 . . . . . . . . . . . 4895 1 89 . 1 1 7 7 TRP HD1 H 1 7.08 . . . . . . . . . . . 4895 1 90 . 1 1 7 7 TRP HE1 H 1 10.38 . . . . . . . . . . . 4895 1 91 . 1 1 7 7 TRP HE3 H 1 7.59 . . . . . . . . . . . 4895 1 92 . 1 1 7 7 TRP HZ2 H 1 7.67 . . . . . . . . . . . 4895 1 93 . 1 1 7 7 TRP HZ3 H 1 6.81 . . . . . . . . . . . 4895 1 94 . 1 1 7 7 TRP HH2 H 1 7.31 . . . . . . . . . . . 4895 1 95 . 1 1 7 7 TRP NE1 N 15 130 . . . . . . . . . . . 4895 1 96 . 1 1 8 8 PHE N N 15 121 . . . . . . . . . . . 4895 1 97 . 1 1 8 8 PHE H H 1 9 . . . . . . . . . . . 4895 1 98 . 1 1 8 8 PHE C C 13 172.35 . . . . . . . . . . . 4895 1 99 . 1 1 8 8 PHE CA C 13 59.4 . . . . . . . . . . . 4895 1 100 . 1 1 8 8 PHE HA H 1 4.22 . . . . . . . . . . . 4895 1 101 . 1 1 8 8 PHE CB C 13 42.13 . . . . . . . . . . . 4895 1 102 . 1 1 8 8 PHE HB2 H 1 2.38 . . . . . . . . . . . 4895 1 103 . 1 1 8 8 PHE HB3 H 1 2.78 . . . . . . . . . . . 4895 1 104 . 1 1 8 8 PHE HD1 H 1 6.73 . . . . . . . . . . . 4895 1 105 . 1 1 8 8 PHE HD2 H 1 6.73 . . . . . . . . . . . 4895 1 106 . 1 1 8 8 PHE HE1 H 1 7.04 . . . . . . . . . . . 4895 1 107 . 1 1 8 8 PHE HE2 H 1 7.04 . . . . . . . . . . . 4895 1 108 . 1 1 9 9 ASP N N 15 128.6 . . . . . . . . . . . 4895 1 109 . 1 1 9 9 ASP H H 1 8.03 . . . . . . . . . . . 4895 1 110 . 1 1 9 9 ASP C C 13 174.07 . . . . . . . . . . . 4895 1 111 . 1 1 9 9 ASP CA C 13 52.22 . . . . . . . . . . . 4895 1 112 . 1 1 9 9 ASP HA H 1 4.92 . . . . . . . . . . . 4895 1 113 . 1 1 9 9 ASP CB C 13 42.48 . . . . . . . . . . . 4895 1 114 . 1 1 9 9 ASP HB2 H 1 2.68 . . . . . . . . . . . 4895 1 115 . 1 1 9 9 ASP HB3 H 1 2.48 . . . . . . . . . . . 4895 1 116 . 1 1 10 10 SER N N 15 122.8 . . . . . . . . . . . 4895 1 117 . 1 1 10 10 SER H H 1 9.12 . . . . . . . . . . . 4895 1 118 . 1 1 10 10 SER C C 13 175.31 . . . . . . . . . . . 4895 1 119 . 1 1 10 10 SER CA C 13 55.98 . . . . . . . . . . . 4895 1 120 . 1 1 10 10 SER HA H 1 4.22 . . . . . . . . . . . 4895 1 121 . 1 1 10 10 SER CB C 13 63.26 . . . . . . . . . . . 4895 1 122 . 1 1 10 10 SER HB2 H 1 4.66 . . . . . . . . . . . 4895 1 123 . 1 1 10 10 SER HB3 H 1 4.12 . . . . . . . . . . . 4895 1 124 . 1 1 11 11 LYS N N 15 121.9 . . . . . . . . . . . 4895 1 125 . 1 1 11 11 LYS H H 1 8.29 . . . . . . . . . . . 4895 1 126 . 1 1 11 11 LYS C C 13 178.59 . . . . . . . . . . . 4895 1 127 . 1 1 11 11 LYS CA C 13 58.41 . . . . . . . . . . . 4895 1 128 . 1 1 11 11 LYS HA H 1 4.21 . . . . . . . . . . . 4895 1 129 . 1 1 11 11 LYS CB C 13 31.85 . . . . . . . . . . . 4895 1 130 . 1 1 11 11 LYS HB2 H 1 2.0 . . . . . . . . . . . 4895 1 131 . 1 1 11 11 LYS HB3 H 1 1.92 . . . . . . . . . . . 4895 1 132 . 1 1 11 11 LYS HG2 H 1 1.5 . . . . . . . . . . . 4895 1 133 . 1 1 11 11 LYS HG3 H 1 1.42 . . . . . . . . . . . 4895 1 134 . 1 1 11 11 LYS HD2 H 1 1.72 . . . . . . . . . . . 4895 1 135 . 1 1 11 11 LYS HD3 H 1 1.72 . . . . . . . . . . . 4895 1 136 . 1 1 11 11 LYS HE2 H 1 3.01 . . . . . . . . . . . 4895 1 137 . 1 1 11 11 LYS HE3 H 1 3.01 . . . . . . . . . . . 4895 1 138 . 1 1 11 11 LYS CG C 13 24.91 . . . . . . . . . . . 4895 1 139 . 1 1 11 11 LYS CD C 13 28.5 . . . . . . . . . . . 4895 1 140 . 1 1 12 12 LYS N N 15 117.6 . . . . . . . . . . . 4895 1 141 . 1 1 12 12 LYS H H 1 7.76 . . . . . . . . . . . 4895 1 142 . 1 1 12 12 LYS C C 13 177.65 . . . . . . . . . . . 4895 1 143 . 1 1 12 12 LYS CA C 13 57.17 . . . . . . . . . . . 4895 1 144 . 1 1 12 12 LYS HA H 1 4.2 . . . . . . . . . . . 4895 1 145 . 1 1 12 12 LYS CB C 13 33.43 . . . . . . . . . . . 4895 1 146 . 1 1 12 12 LYS HB2 H 1 1.74 . . . . . . . . . . . 4895 1 147 . 1 1 12 12 LYS HB3 H 1 1.22 . . . . . . . . . . . 4895 1 148 . 1 1 12 12 LYS HG2 H 1 1.48 . . . . . . . . . . . 4895 1 149 . 1 1 12 12 LYS HG3 H 1 1.38 . . . . . . . . . . . 4895 1 150 . 1 1 12 12 LYS HD2 H 1 1.78 . . . . . . . . . . . 4895 1 151 . 1 1 12 12 LYS HD3 H 1 1.61 . . . . . . . . . . . 4895 1 152 . 1 1 12 12 LYS HE2 H 1 3.05 . . . . . . . . . . . 4895 1 153 . 1 1 12 12 LYS HE3 H 1 3.05 . . . . . . . . . . . 4895 1 154 . 1 1 12 12 LYS CG C 13 25.85 . . . . . . . . . . . 4895 1 155 . 1 1 12 12 LYS CD C 13 29.36 . . . . . . . . . . . 4895 1 156 . 1 1 13 13 GLY N N 15 106.9 . . . . . . . . . . . 4895 1 157 . 1 1 13 13 GLY H H 1 8.32 . . . . . . . . . . . 4895 1 158 . 1 1 13 13 GLY C C 13 172.04 . . . . . . . . . . . 4895 1 159 . 1 1 13 13 GLY CA C 13 46.12 . . . . . . . . . . . 4895 1 160 . 1 1 13 13 GLY HA2 H 1 4.17 . . . . . . . . . . . 4895 1 161 . 1 1 13 13 GLY HA3 H 1 3.73 . . . . . . . . . . . 4895 1 162 . 1 1 14 14 TYR N N 15 112.2 . . . . . . . . . . . 4895 1 163 . 1 1 14 14 TYR H H 1 6.65 . . . . . . . . . . . 4895 1 164 . 1 1 14 14 TYR C C 13 171.57 . . . . . . . . . . . 4895 1 165 . 1 1 14 14 TYR CA C 13 55.25 . . . . . . . . . . . 4895 1 166 . 1 1 14 14 TYR HA H 1 4.87 . . . . . . . . . . . 4895 1 167 . 1 1 14 14 TYR CB C 13 40.94 . . . . . . . . . . . 4895 1 168 . 1 1 14 14 TYR HB2 H 1 2.97 . . . . . . . . . . . 4895 1 169 . 1 1 14 14 TYR HB3 H 1 2.82 . . . . . . . . . . . 4895 1 170 . 1 1 14 14 TYR HD1 H 1 7.36 . . . . . . . . . . . 4895 1 171 . 1 1 14 14 TYR HD2 H 1 7.36 . . . . . . . . . . . 4895 1 172 . 1 1 14 14 TYR HE1 H 1 7.31 . . . . . . . . . . . 4895 1 173 . 1 1 14 14 TYR HE2 H 1 7.31 . . . . . . . . . . . 4895 1 174 . 1 1 15 15 GLY N N 15 104.7 . . . . . . . . . . . 4895 1 175 . 1 1 15 15 GLY H H 1 7.98 . . . . . . . . . . . 4895 1 176 . 1 1 15 15 GLY C C 13 170.48 . . . . . . . . . . . 4895 1 177 . 1 1 15 15 GLY CA C 13 45.07 . . . . . . . . . . . 4895 1 178 . 1 1 15 15 GLY HA2 H 1 3.89 . . . . . . . . . . . 4895 1 179 . 1 1 15 15 GLY HA3 H 1 2.69 . . . . . . . . . . . 4895 1 180 . 1 1 16 16 PHE N N 15 114.7 . . . . . . . . . . . 4895 1 181 . 1 1 16 16 PHE H H 1 7.95 . . . . . . . . . . . 4895 1 182 . 1 1 16 16 PHE C C 13 174.38 . . . . . . . . . . . 4895 1 183 . 1 1 16 16 PHE HA H 1 5.18 . . . . . . . . . . . 4895 1 184 . 1 1 16 16 PHE CB C 13 44.68 . . . . . . . . . . . 4895 1 185 . 1 1 16 16 PHE HB2 H 1 2.59 . . . . . . . . . . . 4895 1 186 . 1 1 16 16 PHE HB3 H 1 2.24 . . . . . . . . . . . 4895 1 187 . 1 1 16 16 PHE HD1 H 1 6.85 . . . . . . . . . . . 4895 1 188 . 1 1 16 16 PHE HD2 H 1 6.85 . . . . . . . . . . . 4895 1 189 . 1 1 16 16 PHE HE1 H 1 7.59 . . . . . . . . . . . 4895 1 190 . 1 1 16 16 PHE HE2 H 1 7.59 . . . . . . . . . . . 4895 1 191 . 1 1 17 17 ILE N N 15 122.4 . . . . . . . . . . . 4895 1 192 . 1 1 17 17 ILE H H 1 9.32 . . . . . . . . . . . 4895 1 193 . 1 1 17 17 ILE C C 13 174.53 . . . . . . . . . . . 4895 1 194 . 1 1 17 17 ILE CA C 13 59.4 . . . . . . . . . . . 4895 1 195 . 1 1 17 17 ILE HA H 1 4.18 . . . . . . . . . . . 4895 1 196 . 1 1 17 17 ILE CB C 13 42.12 . . . . . . . . . . . 4895 1 197 . 1 1 17 17 ILE HB H 1 1.01 . . . . . . . . . . . 4895 1 198 . 1 1 17 17 ILE HG12 H 1 0.37 . . . . . . . . . . . 4895 1 199 . 1 1 17 17 ILE HG13 H 1 1.2 . . . . . . . . . . . 4895 1 200 . 1 1 17 17 ILE HG21 H 1 0.18 . . . . . . . . . . . 4895 1 201 . 1 1 17 17 ILE HG22 H 1 0.18 . . . . . . . . . . . 4895 1 202 . 1 1 17 17 ILE HG23 H 1 0.18 . . . . . . . . . . . 4895 1 203 . 1 1 17 17 ILE CG1 C 13 27.8 . . . . . . . . . . . 4895 1 204 . 1 1 17 17 ILE CG2 C 13 17.81 . . . . . . . . . . . 4895 1 205 . 1 1 17 17 ILE CD1 C 13 13.8 . . . . . . . . . . . 4895 1 206 . 1 1 18 18 THR N N 15 124.8 . . . . . . . . . . . 4895 1 207 . 1 1 18 18 THR H H 1 9.35 . . . . . . . . . . . 4895 1 208 . 1 1 18 18 THR C C 13 175.63 . . . . . . . . . . . 4895 1 209 . 1 1 18 18 THR CA C 13 61.69 . . . . . . . . . . . 4895 1 210 . 1 1 18 18 THR HA H 1 5.16 . . . . . . . . . . . 4895 1 211 . 1 1 18 18 THR CB C 13 69.78 . . . . . . . . . . . 4895 1 212 . 1 1 18 18 THR HB H 1 3.85 . . . . . . . . . . . 4895 1 213 . 1 1 18 18 THR HG21 H 1 1.36 . . . . . . . . . . . 4895 1 214 . 1 1 18 18 THR HG22 H 1 1.36 . . . . . . . . . . . 4895 1 215 . 1 1 18 18 THR HG23 H 1 1.36 . . . . . . . . . . . 4895 1 216 . 1 1 18 18 THR CG2 C 13 22.3 . . . . . . . . . . . 4895 1 217 . 1 1 19 19 LYS N N 15 130.1 . . . . . . . . . . . 4895 1 218 . 1 1 19 19 LYS H H 1 9.42 . . . . . . . . . . . 4895 1 219 . 1 1 19 19 LYS C C 13 177.81 . . . . . . . . . . . 4895 1 220 . 1 1 19 19 LYS CA C 13 57.63 . . . . . . . . . . . 4895 1 221 . 1 1 19 19 LYS HA H 1 4.3 . . . . . . . . . . . 4895 1 222 . 1 1 19 19 LYS CB C 13 32.63 . . . . . . . . . . . 4895 1 223 . 1 1 19 19 LYS HB2 H 1 2.19 . . . . . . . . . . . 4895 1 224 . 1 1 19 19 LYS HB3 H 1 1.9 . . . . . . . . . . . 4895 1 225 . 1 1 19 19 LYS HG2 H 1 1.69 . . . . . . . . . . . 4895 1 226 . 1 1 19 19 LYS HG3 H 1 1.63 . . . . . . . . . . . 4895 1 227 . 1 1 19 19 LYS HD2 H 1 1.78 . . . . . . . . . . . 4895 1 228 . 1 1 19 19 LYS HD3 H 1 1.78 . . . . . . . . . . . 4895 1 229 . 1 1 19 19 LYS HE2 H 1 3.15 . . . . . . . . . . . 4895 1 230 . 1 1 19 19 LYS HE3 H 1 2.75 . . . . . . . . . . . 4895 1 231 . 1 1 19 19 LYS CG C 13 25.38 . . . . . . . . . . . 4895 1 232 . 1 1 19 19 LYS CD C 13 29.36 . . . . . . . . . . . 4895 1 233 . 1 1 19 19 LYS CE C 13 40.9 . . . . . . . . . . . 4895 1 234 . 1 1 20 20 ASP N N 15 126.2 . . . . . . . . . . . 4895 1 235 . 1 1 20 20 ASP H H 1 9 . . . . . . . . . . . 4895 1 236 . 1 1 20 20 ASP C C 13 178.28 . . . . . . . . . . . 4895 1 237 . 1 1 20 20 ASP CA C 13 57.79 . . . . . . . . . . . 4895 1 238 . 1 1 20 20 ASP HA H 1 4.45 . . . . . . . . . . . 4895 1 239 . 1 1 20 20 ASP CB C 13 39.56 . . . . . . . . . . . 4895 1 240 . 1 1 20 20 ASP HB2 H 1 2.68 . . . . . . . . . . . 4895 1 241 . 1 1 20 20 ASP HB3 H 1 2.7 . . . . . . . . . . . 4895 1 242 . 1 1 21 21 GLU N N 15 114.4 . . . . . . . . . . . 4895 1 243 . 1 1 21 21 GLU H H 1 8.47 . . . . . . . . . . . 4895 1 244 . 1 1 21 21 GLU C C 13 175.94 . . . . . . . . . . . 4895 1 245 . 1 1 21 21 GLU CA C 13 56.71 . . . . . . . . . . . 4895 1 246 . 1 1 21 21 GLU HA H 1 4.38 . . . . . . . . . . . 4895 1 247 . 1 1 21 21 GLU CB C 13 29.35 . . . . . . . . . . . 4895 1 248 . 1 1 21 21 GLU HB2 H 1 2.16 . . . . . . . . . . . 4895 1 249 . 1 1 21 21 GLU HB3 H 1 2.22 . . . . . . . . . . . 4895 1 250 . 1 1 21 21 GLU HG2 H 1 2.38 . . . . . . . . . . . 4895 1 251 . 1 1 21 21 GLU HG3 H 1 2.36 . . . . . . . . . . . 4895 1 252 . 1 1 21 21 GLU CG C 13 35.9 . . . . . . . . . . . 4895 1 253 . 1 1 22 22 GLY N N 15 110.7 . . . . . . . . . . . 4895 1 254 . 1 1 22 22 GLY H H 1 7.82 . . . . . . . . . . . 4895 1 255 . 1 1 22 22 GLY C C 13 173.29 . . . . . . . . . . . 4895 1 256 . 1 1 22 22 GLY CA C 13 44.46 . . . . . . . . . . . 4895 1 257 . 1 1 22 22 GLY HA2 H 1 4.53 . . . . . . . . . . . 4895 1 258 . 1 1 22 22 GLY HA3 H 1 3.63 . . . . . . . . . . . 4895 1 259 . 1 1 23 23 GLY N N 15 111.8 . . . . . . . . . . . 4895 1 260 . 1 1 23 23 GLY H H 1 8.3 . . . . . . . . . . . 4895 1 261 . 1 1 23 23 GLY C C 13 172.04 . . . . . . . . . . . 4895 1 262 . 1 1 23 23 GLY CA C 13 44.3 . . . . . . . . . . . 4895 1 263 . 1 1 23 23 GLY HA2 H 1 4.5 . . . . . . . . . . . 4895 1 264 . 1 1 23 23 GLY HA3 H 1 3.72 . . . . . . . . . . . 4895 1 265 . 1 1 24 24 ASP N N 15 120.4 . . . . . . . . . . . 4895 1 266 . 1 1 24 24 ASP H H 1 8.38 . . . . . . . . . . . 4895 1 267 . 1 1 24 24 ASP C C 13 177.34 . . . . . . . . . . . 4895 1 268 . 1 1 24 24 ASP CA C 13 53.28 . . . . . . . . . . . 4895 1 269 . 1 1 24 24 ASP HA H 1 5.95 . . . . . . . . . . . 4895 1 270 . 1 1 24 24 ASP CB C 13 43.13 . . . . . . . . . . . 4895 1 271 . 1 1 24 24 ASP HB2 H 1 2.57 . . . . . . . . . . . 4895 1 272 . 1 1 24 24 ASP HB3 H 1 2.48 . . . . . . . . . . . 4895 1 273 . 1 1 25 25 VAL N N 15 119.7 . . . . . . . . . . . 4895 1 274 . 1 1 25 25 VAL H H 1 9.77 . . . . . . . . . . . 4895 1 275 . 1 1 25 25 VAL C C 13 173.29 . . . . . . . . . . . 4895 1 276 . 1 1 25 25 VAL CA C 13 60.28 . . . . . . . . . . . 4895 1 277 . 1 1 25 25 VAL HA H 1 4.58 . . . . . . . . . . . 4895 1 278 . 1 1 25 25 VAL CB C 13 35.36 . . . . . . . . . . . 4895 1 279 . 1 1 25 25 VAL HB H 1 1.75 . . . . . . . . . . . 4895 1 280 . 1 1 25 25 VAL HG11 H 1 0.79 . . . . . . . . . . . 4895 1 281 . 1 1 25 25 VAL HG12 H 1 0.79 . . . . . . . . . . . 4895 1 282 . 1 1 25 25 VAL HG13 H 1 0.79 . . . . . . . . . . . 4895 1 283 . 1 1 25 25 VAL HG21 H 1 0.93 . . . . . . . . . . . 4895 1 284 . 1 1 25 25 VAL HG22 H 1 0.93 . . . . . . . . . . . 4895 1 285 . 1 1 25 25 VAL HG23 H 1 0.93 . . . . . . . . . . . 4895 1 286 . 1 1 25 25 VAL CG1 C 13 20.7 . . . . . . . . . . . 4895 1 287 . 1 1 25 25 VAL CG2 C 13 21.39 . . . . . . . . . . . 4895 1 288 . 1 1 26 26 PHE N N 15 129.9 . . . . . . . . . . . 4895 1 289 . 1 1 26 26 PHE H H 1 8.5 . . . . . . . . . . . 4895 1 290 . 1 1 26 26 PHE C C 13 172.51 . . . . . . . . . . . 4895 1 291 . 1 1 26 26 PHE CA C 13 58.63 . . . . . . . . . . . 4895 1 292 . 1 1 26 26 PHE HA H 1 3.74 . . . . . . . . . . . 4895 1 293 . 1 1 26 26 PHE CB C 13 40.3 . . . . . . . . . . . 4895 1 294 . 1 1 26 26 PHE HB2 H 1 3.06 . . . . . . . . . . . 4895 1 295 . 1 1 26 26 PHE HB3 H 1 2.75 . . . . . . . . . . . 4895 1 296 . 1 1 26 26 PHE HD1 H 1 6.82 . . . . . . . . . . . 4895 1 297 . 1 1 26 26 PHE HD2 H 1 6.82 . . . . . . . . . . . 4895 1 298 . 1 1 26 26 PHE HE1 H 1 6.93 . . . . . . . . . . . 4895 1 299 . 1 1 26 26 PHE HE2 H 1 6.93 . . . . . . . . . . . 4895 1 300 . 1 1 27 27 VAL N N 15 123.8 . . . . . . . . . . . 4895 1 301 . 1 1 27 27 VAL H H 1 7.71 . . . . . . . . . . . 4895 1 302 . 1 1 27 27 VAL C C 13 169.86 . . . . . . . . . . . 4895 1 303 . 1 1 27 27 VAL CA C 13 58.1 . . . . . . . . . . . 4895 1 304 . 1 1 27 27 VAL HA H 1 4.5 . . . . . . . . . . . 4895 1 305 . 1 1 27 27 VAL CB C 13 34.33 . . . . . . . . . . . 4895 1 306 . 1 1 27 27 VAL HB H 1 1.44 . . . . . . . . . . . 4895 1 307 . 1 1 27 27 VAL HG11 H 1 0.46 . . . . . . . . . . . 4895 1 308 . 1 1 27 27 VAL HG12 H 1 0.46 . . . . . . . . . . . 4895 1 309 . 1 1 27 27 VAL HG13 H 1 0.46 . . . . . . . . . . . 4895 1 310 . 1 1 27 27 VAL HG21 H 1 0.59 . . . . . . . . . . . 4895 1 311 . 1 1 27 27 VAL HG22 H 1 0.59 . . . . . . . . . . . 4895 1 312 . 1 1 27 27 VAL HG23 H 1 0.59 . . . . . . . . . . . 4895 1 313 . 1 1 27 27 VAL CG1 C 13 18.0 . . . . . . . . . . . 4895 1 314 . 1 1 27 27 VAL CG2 C 13 28.8 . . . . . . . . . . . 4895 1 315 . 1 1 28 28 HIS N N 15 127.5 . . . . . . . . . . . 4895 1 316 . 1 1 28 28 HIS H H 1 8.67 . . . . . . . . . . . 4895 1 317 . 1 1 28 28 HIS C C 13 176.72 . . . . . . . . . . . 4895 1 318 . 1 1 28 28 HIS CA C 13 55.79 . . . . . . . . . . . 4895 1 319 . 1 1 28 28 HIS HA H 1 4.72 . . . . . . . . . . . 4895 1 320 . 1 1 28 28 HIS CB C 13 34.24 . . . . . . . . . . . 4895 1 321 . 1 1 28 28 HIS HB2 H 1 2.79 . . . . . . . . . . . 4895 1 322 . 1 1 28 28 HIS HB3 H 1 3.12 . . . . . . . . . . . 4895 1 323 . 1 1 28 28 HIS HD2 H 1 8.12 . . . . . . . . . . . 4895 1 324 . 1 1 28 28 HIS HE1 H 1 8.44 . . . . . . . . . . . 4895 1 325 . 1 1 29 29 TRP N N 15 123.7 . . . . . . . . . . . 4895 1 326 . 1 1 29 29 TRP H H 1 8.15 . . . . . . . . . . . 4895 1 327 . 1 1 29 29 TRP C C 13 176.72 . . . . . . . . . . . 4895 1 328 . 1 1 29 29 TRP CA C 13 59.5 . . . . . . . . . . . 4895 1 329 . 1 1 29 29 TRP HA H 1 4.07 . . . . . . . . . . . 4895 1 330 . 1 1 29 29 TRP CB C 13 27.3 . . . . . . . . . . . 4895 1 331 . 1 1 29 29 TRP HB2 H 1 3.12 . . . . . . . . . . . 4895 1 332 . 1 1 29 29 TRP HB3 H 1 3.47 . . . . . . . . . . . 4895 1 333 . 1 1 29 29 TRP HD1 H 1 7.44 . . . . . . . . . . . 4895 1 334 . 1 1 29 29 TRP HE1 H 1 10.36 . . . . . . . . . . . 4895 1 335 . 1 1 29 29 TRP HE3 H 1 7.35 . . . . . . . . . . . 4895 1 336 . 1 1 29 29 TRP HZ2 H 1 7.65 . . . . . . . . . . . 4895 1 337 . 1 1 29 29 TRP HZ3 H 1 7.1 . . . . . . . . . . . 4895 1 338 . 1 1 29 29 TRP HH2 H 1 7.31 . . . . . . . . . . . 4895 1 339 . 1 1 29 29 TRP NE1 N 15 130.5 . . . . . . . . . . . 4895 1 340 . 1 1 30 30 SER N N 15 117.1 . . . . . . . . . . . 4895 1 341 . 1 1 30 30 SER H H 1 7.27 . . . . . . . . . . . 4895 1 342 . 1 1 30 30 SER C C 13 174.69 . . . . . . . . . . . 4895 1 343 . 1 1 30 30 SER CA C 13 60.77 . . . . . . . . . . . 4895 1 344 . 1 1 30 30 SER HA H 1 3.43 . . . . . . . . . . . 4895 1 345 . 1 1 30 30 SER CB C 13 62.36 . . . . . . . . . . . 4895 1 346 . 1 1 30 30 SER HB2 H 1 2.73 . . . . . . . . . . . 4895 1 347 . 1 1 30 30 SER HB3 H 1 3.6 . . . . . . . . . . . 4895 1 348 . 1 1 31 31 ALA N N 15 124.8 . . . . . . . . . . . 4895 1 349 . 1 1 31 31 ALA H H 1 7.97 . . . . . . . . . . . 4895 1 350 . 1 1 31 31 ALA C C 13 176.41 . . . . . . . . . . . 4895 1 351 . 1 1 31 31 ALA CA C 13 51.96 . . . . . . . . . . . 4895 1 352 . 1 1 31 31 ALA HA H 1 4.48 . . . . . . . . . . . 4895 1 353 . 1 1 31 31 ALA CB C 13 21 . . . . . . . . . . . 4895 1 354 . 1 1 31 31 ALA HB1 H 1 1.54 . . . . . . . . . . . 4895 1 355 . 1 1 31 31 ALA HB2 H 1 1.54 . . . . . . . . . . . 4895 1 356 . 1 1 31 31 ALA HB3 H 1 1.54 . . . . . . . . . . . 4895 1 357 . 1 1 32 32 ILE N N 15 118 . . . . . . . . . . . 4895 1 358 . 1 1 32 32 ILE H H 1 7.35 . . . . . . . . . . . 4895 1 359 . 1 1 32 32 ILE C C 13 175.78 . . . . . . . . . . . 4895 1 360 . 1 1 32 32 ILE CA C 13 62.54 . . . . . . . . . . . 4895 1 361 . 1 1 32 32 ILE HA H 1 3.86 . . . . . . . . . . . 4895 1 362 . 1 1 32 32 ILE CB C 13 37.95 . . . . . . . . . . . 4895 1 363 . 1 1 32 32 ILE HB H 1 1.81 . . . . . . . . . . . 4895 1 364 . 1 1 32 32 ILE HG12 H 1 0.3 . . . . . . . . . . . 4895 1 365 . 1 1 32 32 ILE HG13 H 1 1.58 . . . . . . . . . . . 4895 1 366 . 1 1 32 32 ILE HG21 H 1 0.72 . . . . . . . . . . . 4895 1 367 . 1 1 32 32 ILE HG22 H 1 0.72 . . . . . . . . . . . 4895 1 368 . 1 1 32 32 ILE HG23 H 1 0.72 . . . . . . . . . . . 4895 1 369 . 1 1 32 32 ILE HD11 H 1 0.41 . . . . . . . . . . . 4895 1 370 . 1 1 32 32 ILE HD12 H 1 0.41 . . . . . . . . . . . 4895 1 371 . 1 1 32 32 ILE HD13 H 1 0.41 . . . . . . . . . . . 4895 1 372 . 1 1 32 32 ILE CG1 C 13 27.5 . . . . . . . . . . . 4895 1 373 . 1 1 32 32 ILE CG2 C 13 17.88 . . . . . . . . . . . 4895 1 374 . 1 1 32 32 ILE CD1 C 13 14.65 . . . . . . . . . . . 4895 1 375 . 1 1 33 33 GLU N N 15 131.9 . . . . . . . . . . . 4895 1 376 . 1 1 33 33 GLU H H 1 9.25 . . . . . . . . . . . 4895 1 377 . 1 1 33 33 GLU C C 13 174.69 . . . . . . . . . . . 4895 1 378 . 1 1 33 33 GLU CA C 13 55.24 . . . . . . . . . . . 4895 1 379 . 1 1 33 33 GLU HA H 1 4.56 . . . . . . . . . . . 4895 1 380 . 1 1 33 33 GLU CB C 13 28.85 . . . . . . . . . . . 4895 1 381 . 1 1 33 33 GLU HB2 H 1 1.78 . . . . . . . . . . . 4895 1 382 . 1 1 33 33 GLU HB3 H 1 1.94 . . . . . . . . . . . 4895 1 383 . 1 1 33 33 GLU HG2 H 1 2.24 . . . . . . . . . . . 4895 1 384 . 1 1 33 33 GLU HG3 H 1 2.22 . . . . . . . . . . . 4895 1 385 . 1 1 33 33 GLU CG C 13 35.9 . . . . . . . . . . . 4895 1 386 . 1 1 34 34 MET N N 15 119.8 . . . . . . . . . . . 4895 1 387 . 1 1 34 34 MET H H 1 7.45 . . . . . . . . . . . 4895 1 388 . 1 1 34 34 MET C C 13 174.53 . . . . . . . . . . . 4895 1 389 . 1 1 34 34 MET CA C 13 54.52 . . . . . . . . . . . 4895 1 390 . 1 1 34 34 MET HA H 1 4.65 . . . . . . . . . . . 4895 1 391 . 1 1 34 34 MET CB C 13 35.11 . . . . . . . . . . . 4895 1 392 . 1 1 34 34 MET HB2 H 1 1.96 . . . . . . . . . . . 4895 1 393 . 1 1 34 34 MET HB3 H 1 2.07 . . . . . . . . . . . 4895 1 394 . 1 1 34 34 MET HG2 H 1 2.4 . . . . . . . . . . . 4895 1 395 . 1 1 34 34 MET HG3 H 1 2.46 . . . . . . . . . . . 4895 1 396 . 1 1 34 34 MET CG C 13 31.0 . . . . . . . . . . . 4895 1 397 . 1 1 35 35 GLU N N 15 122.5 . . . . . . . . . . . 4895 1 398 . 1 1 35 35 GLU H H 1 8.65 . . . . . . . . . . . 4895 1 399 . 1 1 35 35 GLU C C 13 176.87 . . . . . . . . . . . 4895 1 400 . 1 1 35 35 GLU CA C 13 56.73 . . . . . . . . . . . 4895 1 401 . 1 1 35 35 GLU HA H 1 4.26 . . . . . . . . . . . 4895 1 402 . 1 1 35 35 GLU CB C 13 29.93 . . . . . . . . . . . 4895 1 403 . 1 1 35 35 GLU HB2 H 1 1.97 . . . . . . . . . . . 4895 1 404 . 1 1 35 35 GLU HB3 H 1 2.04 . . . . . . . . . . . 4895 1 405 . 1 1 35 35 GLU HG2 H 1 2.3 . . . . . . . . . . . 4895 1 406 . 1 1 35 35 GLU HG3 H 1 2.3 . . . . . . . . . . . 4895 1 407 . 1 1 35 35 GLU CG C 13 6.16 . . . . . . . . . . . 4895 1 408 . 1 1 36 36 GLY N N 15 110.2 . . . . . . . . . . . 4895 1 409 . 1 1 36 36 GLY H H 1 8.56 . . . . . . . . . . . 4895 1 410 . 1 1 36 36 GLY C C 13 173.6 . . . . . . . . . . . 4895 1 411 . 1 1 36 36 GLY CA C 13 45.07 . . . . . . . . . . . 4895 1 412 . 1 1 36 36 GLY HA2 H 1 4.04 . . . . . . . . . . . 4895 1 413 . 1 1 36 36 GLY HA3 H 1 3.69 . . . . . . . . . . . 4895 1 414 . 1 1 37 37 PHE N N 15 121.3 . . . . . . . . . . . 4895 1 415 . 1 1 37 37 PHE H H 1 8.05 . . . . . . . . . . . 4895 1 416 . 1 1 37 37 PHE C C 13 175.31 . . . . . . . . . . . 4895 1 417 . 1 1 37 37 PHE CA C 13 57.91 . . . . . . . . . . . 4895 1 418 . 1 1 37 37 PHE HA H 1 4.44 . . . . . . . . . . . 4895 1 419 . 1 1 37 37 PHE CB C 13 39.27 . . . . . . . . . . . 4895 1 420 . 1 1 37 37 PHE HB2 H 1 3.0 . . . . . . . . . . . 4895 1 421 . 1 1 37 37 PHE HB3 H 1 3.04 . . . . . . . . . . . 4895 1 422 . 1 1 37 37 PHE HD1 H 1 7.19 . . . . . . . . . . . 4895 1 423 . 1 1 37 37 PHE HD2 H 1 7.19 . . . . . . . . . . . 4895 1 424 . 1 1 37 37 PHE HE1 H 1 7.27 . . . . . . . . . . . 4895 1 425 . 1 1 37 37 PHE HE2 H 1 7.27 . . . . . . . . . . . 4895 1 426 . 1 1 37 37 PHE HZ H 1 7.24 . . . . . . . . . . . 4895 1 427 . 1 1 38 38 LYS N N 15 124.6 . . . . . . . . . . . 4895 1 428 . 1 1 38 38 LYS H H 1 8.14 . . . . . . . . . . . 4895 1 429 . 1 1 38 38 LYS C C 13 173.91 . . . . . . . . . . . 4895 1 430 . 1 1 38 38 LYS CA C 13 55.82 . . . . . . . . . . . 4895 1 431 . 1 1 38 38 LYS HA H 1 4.24 . . . . . . . . . . . 4895 1 432 . 1 1 38 38 LYS CB C 13 32.5 . . . . . . . . . . . 4895 1 433 . 1 1 38 38 LYS HB2 H 1 1.79 . . . . . . . . . . . 4895 1 434 . 1 1 38 38 LYS HB3 H 1 1.85 . . . . . . . . . . . 4895 1 435 . 1 1 38 38 LYS HG2 H 1 1.4 . . . . . . . . . . . 4895 1 436 . 1 1 38 38 LYS HG3 H 1 1.55 . . . . . . . . . . . 4895 1 437 . 1 1 38 38 LYS HD2 H 1 1.74 . . . . . . . . . . . 4895 1 438 . 1 1 38 38 LYS HD3 H 1 1.87 . . . . . . . . . . . 4895 1 439 . 1 1 38 38 LYS HE2 H 1 3.11 . . . . . . . . . . . 4895 1 440 . 1 1 38 38 LYS HE3 H 1 3.2 . . . . . . . . . . . 4895 1 441 . 1 1 38 38 LYS CG C 13 24.67 . . . . . . . . . . . 4895 1 442 . 1 1 38 38 LYS CD C 13 32.6 . . . . . . . . . . . 4895 1 443 . 1 1 38 38 LYS CE C 13 42.25 . . . . . . . . . . . 4895 1 444 . 1 1 39 39 THR N N 15 114.4 . . . . . . . . . . . 4895 1 445 . 1 1 39 39 THR H H 1 7.37 . . . . . . . . . . . 4895 1 446 . 1 1 39 39 THR C C 13 170.95 . . . . . . . . . . . 4895 1 447 . 1 1 39 39 THR CA C 13 59.99 . . . . . . . . . . . 4895 1 448 . 1 1 39 39 THR HA H 1 3.97 . . . . . . . . . . . 4895 1 449 . 1 1 39 39 THR CB C 13 69.63 . . . . . . . . . . . 4895 1 450 . 1 1 39 39 THR HB H 1 3.83 . . . . . . . . . . . 4895 1 451 . 1 1 39 39 THR HG21 H 1 0.95 . . . . . . . . . . . 4895 1 452 . 1 1 39 39 THR HG22 H 1 0.95 . . . . . . . . . . . 4895 1 453 . 1 1 39 39 THR HG23 H 1 0.95 . . . . . . . . . . . 4895 1 454 . 1 1 39 39 THR CG2 C 13 19.5 . . . . . . . . . . . 4895 1 455 . 1 1 40 40 LEU N N 15 119.7 . . . . . . . . . . . 4895 1 456 . 1 1 40 40 LEU H H 1 5.9 . . . . . . . . . . . 4895 1 457 . 1 1 40 40 LEU C C 13 174.22 . . . . . . . . . . . 4895 1 458 . 1 1 40 40 LEU CA C 13 52.49 . . . . . . . . . . . 4895 1 459 . 1 1 40 40 LEU HA H 1 4.53 . . . . . . . . . . . 4895 1 460 . 1 1 40 40 LEU CB C 13 45.57 . . . . . . . . . . . 4895 1 461 . 1 1 40 40 LEU HB2 H 1 0.4 . . . . . . . . . . . 4895 1 462 . 1 1 40 40 LEU HB3 H 1 1.1 . . . . . . . . . . . 4895 1 463 . 1 1 40 40 LEU HG H 1 0.76 . . . . . . . . . . . 4895 1 464 . 1 1 40 40 LEU HD11 H 1 0.27 . . . . . . . . . . . 4895 1 465 . 1 1 40 40 LEU HD12 H 1 0.27 . . . . . . . . . . . 4895 1 466 . 1 1 40 40 LEU HD13 H 1 0.27 . . . . . . . . . . . 4895 1 467 . 1 1 40 40 LEU HD21 H 1 0.48 . . . . . . . . . . . 4895 1 468 . 1 1 40 40 LEU HD22 H 1 0.48 . . . . . . . . . . . 4895 1 469 . 1 1 40 40 LEU HD23 H 1 0.48 . . . . . . . . . . . 4895 1 470 . 1 1 40 40 LEU CD1 C 13 25.38 . . . . . . . . . . . 4895 1 471 . 1 1 40 40 LEU CD2 C 13 22.57 . . . . . . . . . . . 4895 1 472 . 1 1 41 41 LYS N N 15 118.5 . . . . . . . . . . . 4895 1 473 . 1 1 41 41 LYS H H 1 8.26 . . . . . . . . . . . 4895 1 474 . 1 1 41 41 LYS C C 13 175 . . . . . . . . . . . 4895 1 475 . 1 1 41 41 LYS CA C 13 54.06 . . . . . . . . . . . 4895 1 476 . 1 1 41 41 LYS HA H 1 4.55 . . . . . . . . . . . 4895 1 477 . 1 1 41 41 LYS CB C 13 35.26 . . . . . . . . . . . 4895 1 478 . 1 1 41 41 LYS HB2 H 1 1.75 . . . . . . . . . . . 4895 1 479 . 1 1 41 41 LYS HB3 H 1 1.5 . . . . . . . . . . . 4895 1 480 . 1 1 41 41 LYS HG2 H 1 1.32 . . . . . . . . . . . 4895 1 481 . 1 1 41 41 LYS HG3 H 1 1.38 . . . . . . . . . . . 4895 1 482 . 1 1 41 41 LYS HD2 H 1 1.65 . . . . . . . . . . . 4895 1 483 . 1 1 41 41 LYS HD3 H 1 1.65 . . . . . . . . . . . 4895 1 484 . 1 1 41 41 LYS HE2 H 1 2.94 . . . . . . . . . . . 4895 1 485 . 1 1 41 41 LYS HE3 H 1 2.94 . . . . . . . . . . . 4895 1 486 . 1 1 41 41 LYS CG C 13 24.3 . . . . . . . . . . . 4895 1 487 . 1 1 41 41 LYS CD C 13 28.7 . . . . . . . . . . . 4895 1 488 . 1 1 42 42 GLU N N 15 121.3 . . . . . . . . . . . 4895 1 489 . 1 1 42 42 GLU H H 1 8.72 . . . . . . . . . . . 4895 1 490 . 1 1 42 42 GLU C C 13 176.72 . . . . . . . . . . . 4895 1 491 . 1 1 42 42 GLU CA C 13 58.1 . . . . . . . . . . . 4895 1 492 . 1 1 42 42 GLU HA H 1 3.56 . . . . . . . . . . . 4895 1 493 . 1 1 42 42 GLU CB C 13 29.4 . . . . . . . . . . . 4895 1 494 . 1 1 42 42 GLU HB2 H 1 2.13 . . . . . . . . . . . 4895 1 495 . 1 1 42 42 GLU HB3 H 1 2.04 . . . . . . . . . . . 4895 1 496 . 1 1 42 42 GLU HG2 H 1 2.56 . . . . . . . . . . . 4895 1 497 . 1 1 42 42 GLU HG3 H 1 2.32 . . . . . . . . . . . 4895 1 498 . 1 1 42 42 GLU CG C 13 35.46 . . . . . . . . . . . 4895 1 499 . 1 1 43 43 GLY N N 15 112.9 . . . . . . . . . . . 4895 1 500 . 1 1 43 43 GLY H H 1 9.05 . . . . . . . . . . . 4895 1 501 . 1 1 43 43 GLY C C 13 174.38 . . . . . . . . . . . 4895 1 502 . 1 1 43 43 GLY CA C 13 44.95 . . . . . . . . . . . 4895 1 503 . 1 1 43 43 GLY HA2 H 1 4.41 . . . . . . . . . . . 4895 1 504 . 1 1 43 43 GLY HA3 H 1 3.57 . . . . . . . . . . . 4895 1 505 . 1 1 44 44 GLN N N 15 118.8 . . . . . . . . . . . 4895 1 506 . 1 1 44 44 GLN H H 1 7.73 . . . . . . . . . . . 4895 1 507 . 1 1 44 44 GLN C C 13 175.31 . . . . . . . . . . . 4895 1 508 . 1 1 44 44 GLN CA C 13 57.63 . . . . . . . . . . . 4895 1 509 . 1 1 44 44 GLN HA H 1 4.24 . . . . . . . . . . . 4895 1 510 . 1 1 44 44 GLN CB C 13 29.55 . . . . . . . . . . . 4895 1 511 . 1 1 44 44 GLN HB2 H 1 2.2 . . . . . . . . . . . 4895 1 512 . 1 1 44 44 GLN HB3 H 1 1.79 . . . . . . . . . . . 4895 1 513 . 1 1 44 44 GLN HG2 H 1 2.43 . . . . . . . . . . . 4895 1 514 . 1 1 44 44 GLN HG3 H 1 2.36 . . . . . . . . . . . 4895 1 515 . 1 1 44 44 GLN HE21 H 1 7.44 . . . . . . . . . . . 4895 1 516 . 1 1 44 44 GLN HE22 H 1 6.78 . . . . . . . . . . . 4895 1 517 . 1 1 44 44 GLN CG C 13 41.55 . . . . . . . . . . . 4895 1 518 . 1 1 44 44 GLN NE2 N 15 111.3 . . . . . . . . . . . 4895 1 519 . 1 1 45 45 VAL N N 15 125.2 . . . . . . . . . . . 4895 1 520 . 1 1 45 45 VAL H H 1 8.84 . . . . . . . . . . . 4895 1 521 . 1 1 45 45 VAL C C 13 175.78 . . . . . . . . . . . 4895 1 522 . 1 1 45 45 VAL CA C 13 62.97 . . . . . . . . . . . 4895 1 523 . 1 1 45 45 VAL HA H 1 4.54 . . . . . . . . . . . 4895 1 524 . 1 1 45 45 VAL CB C 13 31.6 . . . . . . . . . . . 4895 1 525 . 1 1 45 45 VAL HB H 1 2.15 . . . . . . . . . . . 4895 1 526 . 1 1 45 45 VAL HG11 H 1 1.12 . . . . . . . . . . . 4895 1 527 . 1 1 45 45 VAL HG12 H 1 1.12 . . . . . . . . . . . 4895 1 528 . 1 1 45 45 VAL HG13 H 1 1.12 . . . . . . . . . . . 4895 1 529 . 1 1 45 45 VAL HG21 H 1 1.05 . . . . . . . . . . . 4895 1 530 . 1 1 45 45 VAL HG22 H 1 1.05 . . . . . . . . . . . 4895 1 531 . 1 1 45 45 VAL HG23 H 1 1.05 . . . . . . . . . . . 4895 1 532 . 1 1 45 45 VAL CG1 C 13 21.86 . . . . . . . . . . . 4895 1 533 . 1 1 45 45 VAL CG2 C 13 23.03 . . . . . . . . . . . 4895 1 534 . 1 1 46 46 VAL N N 15 117.5 . . . . . . . . . . . 4895 1 535 . 1 1 46 46 VAL H H 1 8.42 . . . . . . . . . . . 4895 1 536 . 1 1 46 46 VAL C C 13 174.22 . . . . . . . . . . . 4895 1 537 . 1 1 46 46 VAL CA C 13 57.63 . . . . . . . . . . . 4895 1 538 . 1 1 46 46 VAL HA H 1 5.53 . . . . . . . . . . . 4895 1 539 . 1 1 46 46 VAL CB C 13 36.24 . . . . . . . . . . . 4895 1 540 . 1 1 46 46 VAL HB H 1 2 . . . . . . . . . . . 4895 1 541 . 1 1 46 46 VAL HG11 H 1 0.54 . . . . . . . . . . . 4895 1 542 . 1 1 46 46 VAL HG12 H 1 0.54 . . . . . . . . . . . 4895 1 543 . 1 1 46 46 VAL HG13 H 1 0.54 . . . . . . . . . . . 4895 1 544 . 1 1 46 46 VAL HG21 H 1 0.59 . . . . . . . . . . . 4895 1 545 . 1 1 46 46 VAL HG22 H 1 0.59 . . . . . . . . . . . 4895 1 546 . 1 1 46 46 VAL HG23 H 1 0.59 . . . . . . . . . . . 4895 1 547 . 1 1 46 46 VAL CG1 C 13 18.83 . . . . . . . . . . . 4895 1 548 . 1 1 46 46 VAL CG2 C 13 22.77 . . . . . . . . . . . 4895 1 549 . 1 1 47 47 GLU N N 15 120.9 . . . . . . . . . . . 4895 1 550 . 1 1 47 47 GLU H H 1 9 . . . . . . . . . . . 4895 1 551 . 1 1 47 47 GLU C C 13 175.16 . . . . . . . . . . . 4895 1 552 . 1 1 47 47 GLU CA C 13 54.22 . . . . . . . . . . . 4895 1 553 . 1 1 47 47 GLU HA H 1 5.43 . . . . . . . . . . . 4895 1 554 . 1 1 47 47 GLU CB C 13 33.08 . . . . . . . . . . . 4895 1 555 . 1 1 47 47 GLU HB2 H 1 1.98 . . . . . . . . . . . 4895 1 556 . 1 1 47 47 GLU HB3 H 1 1.86 . . . . . . . . . . . 4895 1 557 . 1 1 47 47 GLU HG2 H 1 2.23 . . . . . . . . . . . 4895 1 558 . 1 1 47 47 GLU HG3 H 1 2.29 . . . . . . . . . . . 4895 1 559 . 1 1 47 47 GLU CG C 13 36.77 . . . . . . . . . . . 4895 1 560 . 1 1 48 48 PHE N N 15 117.6 . . . . . . . . . . . 4895 1 561 . 1 1 48 48 PHE H H 1 8.48 . . . . . . . . . . . 4895 1 562 . 1 1 48 48 PHE C C 13 172.35 . . . . . . . . . . . 4895 1 563 . 1 1 48 48 PHE CA C 13 56.17 . . . . . . . . . . . 4895 1 564 . 1 1 48 48 PHE HA H 1 5.2 . . . . . . . . . . . 4895 1 565 . 1 1 48 48 PHE CB C 13 41.23 . . . . . . . . . . . 4895 1 566 . 1 1 48 48 PHE HB2 H 1 3.1 . . . . . . . . . . . 4895 1 567 . 1 1 48 48 PHE HB3 H 1 3.12 . . . . . . . . . . . 4895 1 568 . 1 1 48 48 PHE HD1 H 1 6.86 . . . . . . . . . . . 4895 1 569 . 1 1 48 48 PHE HD2 H 1 6.86 . . . . . . . . . . . 4895 1 570 . 1 1 48 48 PHE HE1 H 1 7.59 . . . . . . . . . . . 4895 1 571 . 1 1 48 48 PHE HE2 H 1 7.59 . . . . . . . . . . . 4895 1 572 . 1 1 49 49 GLU N N 15 117.6 . . . . . . . . . . . 4895 1 573 . 1 1 49 49 GLU H H 1 8.82 . . . . . . . . . . . 4895 1 574 . 1 1 49 49 GLU C C 13 175.31 . . . . . . . . . . . 4895 1 575 . 1 1 49 49 GLU CA C 13 53.56 . . . . . . . . . . . 4895 1 576 . 1 1 49 49 GLU HA H 1 4.74 . . . . . . . . . . . 4895 1 577 . 1 1 49 49 GLU CB C 13 33.13 . . . . . . . . . . . 4895 1 578 . 1 1 49 49 GLU HB2 H 1 2.19 . . . . . . . . . . . 4895 1 579 . 1 1 49 49 GLU HB3 H 1 2.22 . . . . . . . . . . . 4895 1 580 . 1 1 49 49 GLU HG2 H 1 2.29 . . . . . . . . . . . 4895 1 581 . 1 1 49 49 GLU HG3 H 1 2.34 . . . . . . . . . . . 4895 1 582 . 1 1 49 49 GLU CG C 13 33.41 . . . . . . . . . . . 4895 1 583 . 1 1 50 50 ILE N N 15 121 . . . . . . . . . . . 4895 1 584 . 1 1 50 50 ILE H H 1 8.82 . . . . . . . . . . . 4895 1 585 . 1 1 50 50 ILE C C 13 175 . . . . . . . . . . . 4895 1 586 . 1 1 50 50 ILE CA C 13 60.34 . . . . . . . . . . . 4895 1 587 . 1 1 50 50 ILE HA H 1 4.86 . . . . . . . . . . . 4895 1 588 . 1 1 50 50 ILE CB C 13 39.28 . . . . . . . . . . . 4895 1 589 . 1 1 50 50 ILE HB H 1 1.83 . . . . . . . . . . . 4895 1 590 . 1 1 50 50 ILE HG12 H 1 1.18 . . . . . . . . . . . 4895 1 591 . 1 1 50 50 ILE HG13 H 1 1.71 . . . . . . . . . . . 4895 1 592 . 1 1 50 50 ILE HG21 H 1 0.92 . . . . . . . . . . . 4895 1 593 . 1 1 50 50 ILE HG22 H 1 0.92 . . . . . . . . . . . 4895 1 594 . 1 1 50 50 ILE HG23 H 1 0.92 . . . . . . . . . . . 4895 1 595 . 1 1 50 50 ILE HD11 H 1 1.01 . . . . . . . . . . . 4895 1 596 . 1 1 50 50 ILE HD12 H 1 1.01 . . . . . . . . . . . 4895 1 597 . 1 1 50 50 ILE HD13 H 1 1.01 . . . . . . . . . . . 4895 1 598 . 1 1 50 50 ILE CG1 C 13 28.41 . . . . . . . . . . . 4895 1 599 . 1 1 50 50 ILE CG2 C 13 17.9 . . . . . . . . . . . 4895 1 600 . 1 1 50 50 ILE CD1 C 13 13.27 . . . . . . . . . . . 4895 1 601 . 1 1 51 51 GLN N N 15 126.3 . . . . . . . . . . . 4895 1 602 . 1 1 51 51 GLN H H 1 9.18 . . . . . . . . . . . 4895 1 603 . 1 1 51 51 GLN C C 13 174.69 . . . . . . . . . . . 4895 1 604 . 1 1 51 51 GLN CA C 13 53.57 . . . . . . . . . . . 4895 1 605 . 1 1 51 51 GLN HA H 1 4.72 . . . . . . . . . . . 4895 1 606 . 1 1 51 51 GLN CB C 13 31.86 . . . . . . . . . . . 4895 1 607 . 1 1 51 51 GLN HB2 H 1 1.85 . . . . . . . . . . . 4895 1 608 . 1 1 51 51 GLN HB3 H 1 1.97 . . . . . . . . . . . 4895 1 609 . 1 1 51 51 GLN HG2 H 1 2.18 . . . . . . . . . . . 4895 1 610 . 1 1 51 51 GLN HG3 H 1 2.26 . . . . . . . . . . . 4895 1 611 . 1 1 51 51 GLN HE21 H 1 7.5 . . . . . . . . . . . 4895 1 612 . 1 1 51 51 GLN HE22 H 1 6.84 . . . . . . . . . . . 4895 1 613 . 1 1 51 51 GLN CG C 13 33.58 . . . . . . . . . . . 4895 1 614 . 1 1 51 51 GLN NE2 N 15 111.2 . . . . . . . . . . . 4895 1 615 . 1 1 52 52 GLU N N 15 124.1 . . . . . . . . . . . 4895 1 616 . 1 1 52 52 GLU H H 1 8.78 . . . . . . . . . . . 4895 1 617 . 1 1 52 52 GLU C C 13 176.25 . . . . . . . . . . . 4895 1 618 . 1 1 52 52 GLU CA C 13 56.56 . . . . . . . . . . . 4895 1 619 . 1 1 52 52 GLU HA H 1 4.3 . . . . . . . . . . . 4895 1 620 . 1 1 52 52 GLU CB C 13 29.48 . . . . . . . . . . . 4895 1 621 . 1 1 52 52 GLU HB2 H 1 1.88 . . . . . . . . . . . 4895 1 622 . 1 1 52 52 GLU HB3 H 1 2.0 . . . . . . . . . . . 4895 1 623 . 1 1 52 52 GLU HG2 H 1 2.19 . . . . . . . . . . . 4895 1 624 . 1 1 52 52 GLU HG3 H 1 2.26 . . . . . . . . . . . 4895 1 625 . 1 1 52 52 GLU CG C 13 36.15 . . . . . . . . . . . 4895 1 626 . 1 1 53 53 GLY N N 15 112.6 . . . . . . . . . . . 4895 1 627 . 1 1 53 53 GLY H H 1 7.88 . . . . . . . . . . . 4895 1 628 . 1 1 53 53 GLY C C 13 175 . . . . . . . . . . . 4895 1 629 . 1 1 53 53 GLY CA C 13 44.2 . . . . . . . . . . . 4895 1 630 . 1 1 53 53 GLY HA2 H 1 4.41 . . . . . . . . . . . 4895 1 631 . 1 1 53 53 GLY HA3 H 1 3.88 . . . . . . . . . . . 4895 1 632 . 1 1 54 54 LYS N N 15 120.3 . . . . . . . . . . . 4895 1 633 . 1 1 54 54 LYS H H 1 8.63 . . . . . . . . . . . 4895 1 634 . 1 1 54 54 LYS C C 13 175.78 . . . . . . . . . . . 4895 1 635 . 1 1 54 54 LYS CA C 13 53.27 . . . . . . . . . . . 4895 1 636 . 1 1 54 54 LYS HA H 1 4.06 . . . . . . . . . . . 4895 1 637 . 1 1 54 54 LYS CB C 13 33.77 . . . . . . . . . . . 4895 1 638 . 1 1 54 54 LYS HB2 H 1 1.85 . . . . . . . . . . . 4895 1 639 . 1 1 54 54 LYS HB3 H 1 1.8 . . . . . . . . . . . 4895 1 640 . 1 1 54 54 LYS HG2 H 1 1.44 . . . . . . . . . . . 4895 1 641 . 1 1 54 54 LYS HG3 H 1 1.49 . . . . . . . . . . . 4895 1 642 . 1 1 54 54 LYS HD2 H 1 1.69 . . . . . . . . . . . 4895 1 643 . 1 1 54 54 LYS HD3 H 1 1.69 . . . . . . . . . . . 4895 1 644 . 1 1 54 54 LYS HE2 H 1 2.98 . . . . . . . . . . . 4895 1 645 . 1 1 54 54 LYS HE3 H 1 2.98 . . . . . . . . . . . 4895 1 646 . 1 1 54 54 LYS CG C 13 24.8 . . . . . . . . . . . 4895 1 647 . 1 1 54 54 LYS CD C 13 28.66 . . . . . . . . . . . 4895 1 648 . 1 1 55 55 LYS N N 15 119.1 . . . . . . . . . . . 4895 1 649 . 1 1 55 55 LYS H H 1 8.41 . . . . . . . . . . . 4895 1 650 . 1 1 55 55 LYS C C 13 175.78 . . . . . . . . . . . 4895 1 651 . 1 1 55 55 LYS CA C 13 54 . . . . . . . . . . . 4895 1 652 . 1 1 55 55 LYS HA H 1 4.42 . . . . . . . . . . . 4895 1 653 . 1 1 55 55 LYS CB C 13 31.78 . . . . . . . . . . . 4895 1 654 . 1 1 55 55 LYS HB2 H 1 1.81 . . . . . . . . . . . 4895 1 655 . 1 1 55 55 LYS HB3 H 1 1.45 . . . . . . . . . . . 4895 1 656 . 1 1 55 55 LYS HG2 H 1 1.21 . . . . . . . . . . . 4895 1 657 . 1 1 55 55 LYS HG3 H 1 1.19 . . . . . . . . . . . 4895 1 658 . 1 1 55 55 LYS HD2 H 1 1.43 . . . . . . . . . . . 4895 1 659 . 1 1 55 55 LYS HD3 H 1 1.5 . . . . . . . . . . . 4895 1 660 . 1 1 55 55 LYS HE2 H 1 2.81 . . . . . . . . . . . 4895 1 661 . 1 1 55 55 LYS CG C 13 24.44 . . . . . . . . . . . 4895 1 662 . 1 1 55 55 LYS CD C 13 28.42 . . . . . . . . . . . 4895 1 663 . 1 1 56 56 GLY N N 15 108.2 . . . . . . . . . . . 4895 1 664 . 1 1 56 56 GLY H H 1 7.39 . . . . . . . . . . . 4895 1 665 . 1 1 56 56 GLY CA C 13 43.96 . . . . . . . . . . . 4895 1 666 . 1 1 56 56 GLY HA2 H 1 4.55 . . . . . . . . . . . 4895 1 667 . 1 1 56 56 GLY HA3 H 1 3.93 . . . . . . . . . . . 4895 1 668 . 1 1 57 57 PRO C C 13 176.72 . . . . . . . . . . . 4895 1 669 . 1 1 57 57 PRO CA C 13 63.09 . . . . . . . . . . . 4895 1 670 . 1 1 57 57 PRO HA H 1 4.78 . . . . . . . . . . . 4895 1 671 . 1 1 57 57 PRO CB C 13 32.39 . . . . . . . . . . . 4895 1 672 . 1 1 57 57 PRO HB2 H 1 1.87 . . . . . . . . . . . 4895 1 673 . 1 1 57 57 PRO HB3 H 1 2.34 . . . . . . . . . . . 4895 1 674 . 1 1 57 57 PRO HG2 H 1 2.24 . . . . . . . . . . . 4895 1 675 . 1 1 57 57 PRO HG3 H 1 2.18 . . . . . . . . . . . 4895 1 676 . 1 1 57 57 PRO HD2 H 1 3.76 . . . . . . . . . . . 4895 1 677 . 1 1 57 57 PRO HD3 H 1 3.76 . . . . . . . . . . . 4895 1 678 . 1 1 57 57 PRO CG C 13 36.16 . . . . . . . . . . . 4895 1 679 . 1 1 57 57 PRO CD C 13 49.52 . . . . . . . . . . . 4895 1 680 . 1 1 58 58 GLN N N 15 119.5 . . . . . . . . . . . 4895 1 681 . 1 1 58 58 GLN H H 1 9.03 . . . . . . . . . . . 4895 1 682 . 1 1 58 58 GLN C C 13 173.44 . . . . . . . . . . . 4895 1 683 . 1 1 58 58 GLN CA C 13 53.7 . . . . . . . . . . . 4895 1 684 . 1 1 58 58 GLN HA H 1 5.21 . . . . . . . . . . . 4895 1 685 . 1 1 58 58 GLN CB C 13 32.52 . . . . . . . . . . . 4895 1 686 . 1 1 58 58 GLN HB2 H 1 2.19 . . . . . . . . . . . 4895 1 687 . 1 1 58 58 GLN HB3 H 1 2.24 . . . . . . . . . . . 4895 1 688 . 1 1 58 58 GLN HG2 H 1 2.21 . . . . . . . . . . . 4895 1 689 . 1 1 58 58 GLN HG3 H 1 2.32 . . . . . . . . . . . 4895 1 690 . 1 1 58 58 GLN HE21 H 1 7.74 . . . . . . . . . . . 4895 1 691 . 1 1 58 58 GLN HE22 H 1 6.67 . . . . . . . . . . . 4895 1 692 . 1 1 58 58 GLN CG C 13 32.4 . . . . . . . . . . . 4895 1 693 . 1 1 58 58 GLN NE2 N 15 112 . . . . . . . . . . . 4895 1 694 . 1 1 59 59 ALA N N 15 123.1 . . . . . . . . . . . 4895 1 695 . 1 1 59 59 ALA H H 1 8.85 . . . . . . . . . . . 4895 1 696 . 1 1 59 59 ALA C C 13 175.94 . . . . . . . . . . . 4895 1 697 . 1 1 59 59 ALA CA C 13 51.32 . . . . . . . . . . . 4895 1 698 . 1 1 59 59 ALA HA H 1 4.89 . . . . . . . . . . . 4895 1 699 . 1 1 59 59 ALA CB C 13 20.16 . . . . . . . . . . . 4895 1 700 . 1 1 59 59 ALA HB1 H 1 0.89 . . . . . . . . . . . 4895 1 701 . 1 1 59 59 ALA HB2 H 1 0.89 . . . . . . . . . . . 4895 1 702 . 1 1 59 59 ALA HB3 H 1 0.89 . . . . . . . . . . . 4895 1 703 . 1 1 60 60 ALA N N 15 123.1 . . . . . . . . . . . 4895 1 704 . 1 1 60 60 ALA H H 1 9.24 . . . . . . . . . . . 4895 1 705 . 1 1 60 60 ALA C C 13 175.31 . . . . . . . . . . . 4895 1 706 . 1 1 60 60 ALA CA C 13 50.28 . . . . . . . . . . . 4895 1 707 . 1 1 60 60 ALA HA H 1 4.6 . . . . . . . . . . . 4895 1 708 . 1 1 60 60 ALA CB C 13 23.04 . . . . . . . . . . . 4895 1 709 . 1 1 60 60 ALA HB1 H 1 1.1 . . . . . . . . . . . 4895 1 710 . 1 1 60 60 ALA HB2 H 1 1.1 . . . . . . . . . . . 4895 1 711 . 1 1 60 60 ALA HB3 H 1 1.1 . . . . . . . . . . . 4895 1 712 . 1 1 61 61 HIS N N 15 117.7 . . . . . . . . . . . 4895 1 713 . 1 1 61 61 HIS H H 1 9.13 . . . . . . . . . . . 4895 1 714 . 1 1 61 61 HIS C C 13 173.29 . . . . . . . . . . . 4895 1 715 . 1 1 61 61 HIS CA C 13 55.82 . . . . . . . . . . . 4895 1 716 . 1 1 61 61 HIS HA H 1 4.15 . . . . . . . . . . . 4895 1 717 . 1 1 61 61 HIS CB C 13 26.41 . . . . . . . . . . . 4895 1 718 . 1 1 61 61 HIS HB2 H 1 3.34 . . . . . . . . . . . 4895 1 719 . 1 1 61 61 HIS HB3 H 1 3.11 . . . . . . . . . . . 4895 1 720 . 1 1 61 61 HIS HD2 H 1 7.08 . . . . . . . . . . . 4895 1 721 . 1 1 61 61 HIS HE1 H 1 8.56 . . . . . . . . . . . 4895 1 722 . 1 1 62 62 VAL N N 15 117.8 . . . . . . . . . . . 4895 1 723 . 1 1 62 62 VAL H H 1 8.33 . . . . . . . . . . . 4895 1 724 . 1 1 62 62 VAL C C 13 175.78 . . . . . . . . . . . 4895 1 725 . 1 1 62 62 VAL CA C 13 63.18 . . . . . . . . . . . 4895 1 726 . 1 1 62 62 VAL HA H 1 4.43 . . . . . . . . . . . 4895 1 727 . 1 1 62 62 VAL CB C 13 31.63 . . . . . . . . . . . 4895 1 728 . 1 1 62 62 VAL HB H 1 1.78 . . . . . . . . . . . 4895 1 729 . 1 1 62 62 VAL HG11 H 1 0.61 . . . . . . . . . . . 4895 1 730 . 1 1 62 62 VAL HG12 H 1 0.61 . . . . . . . . . . . 4895 1 731 . 1 1 62 62 VAL HG13 H 1 0.61 . . . . . . . . . . . 4895 1 732 . 1 1 62 62 VAL HG21 H 1 0.61 . . . . . . . . . . . 4895 1 733 . 1 1 62 62 VAL HG22 H 1 0.61 . . . . . . . . . . . 4895 1 734 . 1 1 62 62 VAL HG23 H 1 0.61 . . . . . . . . . . . 4895 1 735 . 1 1 62 62 VAL CG1 C 13 21.63 . . . . . . . . . . . 4895 1 736 . 1 1 62 62 VAL CG2 C 13 22.33 . . . . . . . . . . . 4895 1 737 . 1 1 63 63 LYS N N 15 126.6 . . . . . . . . . . . 4895 1 738 . 1 1 63 63 LYS H H 1 9.21 . . . . . . . . . . . 4895 1 739 . 1 1 63 63 LYS C C 13 175.47 . . . . . . . . . . . 4895 1 740 . 1 1 63 63 LYS CA C 13 54.16 . . . . . . . . . . . 4895 1 741 . 1 1 63 63 LYS HA H 1 4.77 . . . . . . . . . . . 4895 1 742 . 1 1 63 63 LYS CB C 13 35.39 . . . . . . . . . . . 4895 1 743 . 1 1 63 63 LYS HB2 H 1 1.86 . . . . . . . . . . . 4895 1 744 . 1 1 63 63 LYS HB3 H 1 1.7 . . . . . . . . . . . 4895 1 745 . 1 1 63 63 LYS HG2 H 1 1.48 . . . . . . . . . . . 4895 1 746 . 1 1 63 63 LYS HG3 H 1 1.52 . . . . . . . . . . . 4895 1 747 . 1 1 63 63 LYS HD2 H 1 1.72 . . . . . . . . . . . 4895 1 748 . 1 1 63 63 LYS HD3 H 1 1.72 . . . . . . . . . . . 4895 1 749 . 1 1 63 63 LYS HE2 H 1 2.99 . . . . . . . . . . . 4895 1 750 . 1 1 63 63 LYS HE3 H 1 2.99 . . . . . . . . . . . 4895 1 751 . 1 1 63 63 LYS CG C 13 24.44 . . . . . . . . . . . 4895 1 752 . 1 1 63 63 LYS CD C 13 29.12 . . . . . . . . . . . 4895 1 753 . 1 1 64 64 VAL N N 15 123.2 . . . . . . . . . . . 4895 1 754 . 1 1 64 64 VAL H H 1 8.29 . . . . . . . . . . . 4895 1 755 . 1 1 64 64 VAL C C 13 176.51 . . . . . . . . . . . 4895 1 756 . 1 1 64 64 VAL CA C 13 62.98 . . . . . . . . . . . 4895 1 757 . 1 1 64 64 VAL HA H 1 4.28 . . . . . . . . . . . 4895 1 758 . 1 1 64 64 VAL CB C 13 32.22 . . . . . . . . . . . 4895 1 759 . 1 1 64 64 VAL HB H 1 1.87 . . . . . . . . . . . 4895 1 760 . 1 1 64 64 VAL HG11 H 1 0.75 . . . . . . . . . . . 4895 1 761 . 1 1 64 64 VAL HG12 H 1 0.75 . . . . . . . . . . . 4895 1 762 . 1 1 64 64 VAL HG13 H 1 0.75 . . . . . . . . . . . 4895 1 763 . 1 1 64 64 VAL HG21 H 1 0.92 . . . . . . . . . . . 4895 1 764 . 1 1 64 64 VAL HG22 H 1 0.92 . . . . . . . . . . . 4895 1 765 . 1 1 64 64 VAL HG23 H 1 0.92 . . . . . . . . . . . 4895 1 766 . 1 1 64 64 VAL CG1 C 13 21.86 . . . . . . . . . . . 4895 1 767 . 1 1 64 64 VAL CG2 C 13 21.39 . . . . . . . . . . . 4895 1 768 . 1 1 65 65 VAL N N 15 127.5 . . . . . . . . . . . 4895 1 769 . 1 1 65 65 VAL H H 1 8.6 . . . . . . . . . . . 4895 1 770 . 1 1 65 65 VAL C C 13 174.69 . . . . . . . . . . . 4895 1 771 . 1 1 65 65 VAL CA C 13 62.13 . . . . . . . . . . . 4895 1 772 . 1 1 65 65 VAL HA H 1 4.21 . . . . . . . . . . . 4895 1 773 . 1 1 65 65 VAL CB C 13 32.55 . . . . . . . . . . . 4895 1 774 . 1 1 65 65 VAL HB H 1 2 . . . . . . . . . . . 4895 1 775 . 1 1 65 65 VAL HG11 H 1 0.85 . . . . . . . . . . . 4895 1 776 . 1 1 65 65 VAL HG12 H 1 0.85 . . . . . . . . . . . 4895 1 777 . 1 1 65 65 VAL HG13 H 1 0.85 . . . . . . . . . . . 4895 1 778 . 1 1 65 65 VAL HG21 H 1 0.93 . . . . . . . . . . . 4895 1 779 . 1 1 65 65 VAL HG22 H 1 0.93 . . . . . . . . . . . 4895 1 780 . 1 1 65 65 VAL HG23 H 1 0.93 . . . . . . . . . . . 4895 1 781 . 1 1 65 65 VAL CG1 C 13 20.0 . . . . . . . . . . . 4895 1 782 . 1 1 65 65 VAL CG2 C 13 20.69 . . . . . . . . . . . 4895 1 783 . 1 1 66 66 GLU N N 15 128 . . . . . . . . . . . 4895 1 784 . 1 1 66 66 GLU H H 1 7.88 . . . . . . . . . . . 4895 1 785 . 1 1 66 66 GLU CA C 13 57.88 . . . . . . . . . . . 4895 1 786 . 1 1 66 66 GLU HA H 1 4.22 . . . . . . . . . . . 4895 1 787 . 1 1 66 66 GLU CB C 13 32.4 . . . . . . . . . . . 4895 1 788 . 1 1 66 66 GLU HB2 H 1 2.08 . . . . . . . . . . . 4895 1 789 . 1 1 66 66 GLU HB3 H 1 1.92 . . . . . . . . . . . 4895 1 790 . 1 1 66 66 GLU HG2 H 1 2.2 . . . . . . . . . . . 4895 1 791 . 1 1 66 66 GLU HG3 H 1 2.2 . . . . . . . . . . . 4895 1 792 . 1 1 66 66 GLU CG C 13 36.6 . . . . . . . . . . . 4895 1 stop_ save_