data_4926 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4926 _Entry.Title ; 1H and 15N Chemical Shifts of CI2 with a ten glutamine repeat between residues 59 and 60 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-12-15 _Entry.Accession_date 2000-12-15 _Entry.Last_release_date 2001-03-06 _Entry.Original_release_date 2001-03-06 _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 Duncan Gordon-Smith . J. . 4926 2 Kelvin Stott . . . 4926 3 Rodrigo Carbajo . J. . 4926 4 David Neuhaus . . . 4926 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4926 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 123 4926 '1H chemical shifts' 498 4926 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 . . 2001-03-06 2000-12-15 original author . 4926 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4926 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution studies of chymotrypsin inhibitor-2 glutamine insertion mutants show no interglutamine interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _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 855 _Citation.Page_last 860 _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 Duncan Gordon-Smith . J. . 4926 1 2 Rodrigo Carbajo . J. . 4926 1 3 Kelvin Stott . . . 4926 1 4 David Neuhaus . . . 4926 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ci2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ci2 _Assembly.Entry_ID 4926 _Assembly.ID 1 _Assembly.Name 'chymotrypsin inhibitor 2' _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 4926 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 ci2 1 $ci2 . . . native . . . . . 4926 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'chymotrypsin inhibitor 2' system 4926 1 ci2 abbreviation 4926 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ci2 _Entity.Sf_category entity _Entity.Sf_framecode ci2 _Entity.Entry_ID 4926 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Chymotrypsin inhibitor 2' _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 ; KTEWPELVGKSVEEAKKVIL QDKPEAQIIVLPVGTIVTMG QQQQQQQQQQGMEYRIDRVR LFVDKLDNIAQVPRVG ; _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 76 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Insertion of ten glutamine residues' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 1CIQ . "Complex Of Two Fragments Of Ci2, Residues 1-40 And 41-64" . . . . . 51.32 40 100.00 100.00 8.95e-17 . . . . 4926 1 no PDB 1CIR . "Complex Of Two Fragments Of Ci2 [(1-40)(Dot)(41-64)]" . . . . . 50.00 40 100.00 100.00 8.07e-16 . . . . 4926 1 no PDB 1CQ4 . "Ci2 Mutant With Tetraglutamine (mgqqqqgm) Replacing Met59" . . . . . 57.89 47 100.00 100.00 4.06e-20 . . . . 4926 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Chymotrypsin inhibitor 2' common 4926 1 ci2 abbreviation 4926 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 21 LYS . 4926 1 2 22 THR . 4926 1 3 23 GLU . 4926 1 4 24 TRP . 4926 1 5 25 PRO . 4926 1 6 26 GLU . 4926 1 7 27 LEU . 4926 1 8 28 VAL . 4926 1 9 29 GLY . 4926 1 10 30 LYS . 4926 1 11 31 SER . 4926 1 12 32 VAL . 4926 1 13 33 GLU . 4926 1 14 34 GLU . 4926 1 15 35 ALA . 4926 1 16 36 LYS . 4926 1 17 37 LYS . 4926 1 18 38 VAL . 4926 1 19 39 ILE . 4926 1 20 40 LEU . 4926 1 21 41 GLN . 4926 1 22 42 ASP . 4926 1 23 43 LYS . 4926 1 24 44 PRO . 4926 1 25 45 GLU . 4926 1 26 46 ALA . 4926 1 27 47 GLN . 4926 1 28 48 ILE . 4926 1 29 49 ILE . 4926 1 30 50 VAL . 4926 1 31 51 LEU . 4926 1 32 52 PRO . 4926 1 33 53 VAL . 4926 1 34 54 GLY . 4926 1 35 55 THR . 4926 1 36 56 ILE . 4926 1 37 57 VAL . 4926 1 38 58 THR . 4926 1 39 59 MET . 4926 1 40 Gnt GLY . 4926 1 41 Q1 GLN . 4926 1 42 Q2 GLN . 4926 1 43 Q3 GLN . 4926 1 44 Q4 GLN . 4926 1 45 Q5 GLN . 4926 1 46 Q6 GLN . 4926 1 47 Q7 GLN . 4926 1 48 Q8 GLN . 4926 1 49 Q9 GLN . 4926 1 50 Q10 GLN . 4926 1 51 Gct GLY . 4926 1 52 Mdup MET . 4926 1 53 60 GLU . 4926 1 54 61 TYR . 4926 1 55 62 ARG . 4926 1 56 63 ILE . 4926 1 57 64 ASP . 4926 1 58 65 ARG . 4926 1 59 66 VAL . 4926 1 60 67 ARG . 4926 1 61 68 LEU . 4926 1 62 69 PHE . 4926 1 63 70 VAL . 4926 1 64 71 ASP . 4926 1 65 72 LYS . 4926 1 66 73 LEU . 4926 1 67 74 ASP . 4926 1 68 75 ASN . 4926 1 69 76 ILE . 4926 1 70 77 ALA . 4926 1 71 78 GLN . 4926 1 72 79 VAL . 4926 1 73 80 PRO . 4926 1 74 81 ARG . 4926 1 75 82 VAL . 4926 1 76 83 GLY . 4926 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 . LYS 1 1 4926 1 . THR 2 2 4926 1 . GLU 3 3 4926 1 . TRP 4 4 4926 1 . PRO 5 5 4926 1 . GLU 6 6 4926 1 . LEU 7 7 4926 1 . VAL 8 8 4926 1 . GLY 9 9 4926 1 . LYS 10 10 4926 1 . SER 11 11 4926 1 . VAL 12 12 4926 1 . GLU 13 13 4926 1 . GLU 14 14 4926 1 . ALA 15 15 4926 1 . LYS 16 16 4926 1 . LYS 17 17 4926 1 . VAL 18 18 4926 1 . ILE 19 19 4926 1 . LEU 20 20 4926 1 . GLN 21 21 4926 1 . ASP 22 22 4926 1 . LYS 23 23 4926 1 . PRO 24 24 4926 1 . GLU 25 25 4926 1 . ALA 26 26 4926 1 . GLN 27 27 4926 1 . ILE 28 28 4926 1 . ILE 29 29 4926 1 . VAL 30 30 4926 1 . LEU 31 31 4926 1 . PRO 32 32 4926 1 . VAL 33 33 4926 1 . GLY 34 34 4926 1 . THR 35 35 4926 1 . ILE 36 36 4926 1 . VAL 37 37 4926 1 . THR 38 38 4926 1 . MET 39 39 4926 1 . GLY 40 40 4926 1 . GLN 41 41 4926 1 . GLN 42 42 4926 1 . GLN 43 43 4926 1 . GLN 44 44 4926 1 . GLN 45 45 4926 1 . GLN 46 46 4926 1 . GLN 47 47 4926 1 . GLN 48 48 4926 1 . GLN 49 49 4926 1 . GLN 50 50 4926 1 . GLY 51 51 4926 1 . MET 52 52 4926 1 . GLU 53 53 4926 1 . TYR 54 54 4926 1 . ARG 55 55 4926 1 . ILE 56 56 4926 1 . ASP 57 57 4926 1 . ARG 58 58 4926 1 . VAL 59 59 4926 1 . ARG 60 60 4926 1 . LEU 61 61 4926 1 . PHE 62 62 4926 1 . VAL 63 63 4926 1 . ASP 64 64 4926 1 . LYS 65 65 4926 1 . LEU 66 66 4926 1 . ASP 67 67 4926 1 . ASN 68 68 4926 1 . ILE 69 69 4926 1 . ALA 70 70 4926 1 . GLN 71 71 4926 1 . VAL 72 72 4926 1 . PRO 73 73 4926 1 . ARG 74 74 4926 1 . VAL 75 75 4926 1 . GLY 76 76 4926 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 4926 _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 $ci2 . 562 . . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4926 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 4926 _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 $ci2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4926 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4926 _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 'Chymotrypsin inhibitor 2' '[U-90% 15N]' . . 1 $ci2 . . . . . mM . . . . 4926 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 4926 _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 4.6 0.1 n/a 4926 1 temperature 315 1 K 4926 1 stop_ save_ save_Ex-cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_2 _Sample_condition_list.Entry_ID 4926 _Sample_condition_list.ID 2 _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 4.6 0.1 n/a 4926 2 temperature 300 1 K 4926 2 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 4926 _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 4926 _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' . . 4926 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 4926 _Experiment_list.ID 1 _Experiment_list.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 4926 _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 0.0 internal direct 1.0 . . . . . . . . . 4926 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_315K _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_315K _Assigned_chem_shift_list.Entry_ID 4926 _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 $sample_1 . 4926 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR H H 1 8.37 0.01 . 1 . . . . . . . . 4926 1 2 . 1 1 2 2 THR HA H 1 4.33 0.01 . 1 . . . . . . . . 4926 1 3 . 1 1 2 2 THR HB H 1 4.55 0.01 . 1 . . . . . . . . 4926 1 4 . 1 1 2 2 THR HG21 H 1 1.10 0.01 . 1 . . . . . . . . 4926 1 5 . 1 1 2 2 THR HG22 H 1 1.10 0.01 . 1 . . . . . . . . 4926 1 6 . 1 1 2 2 THR HG23 H 1 1.10 0.01 . 1 . . . . . . . . 4926 1 7 . 1 1 2 2 THR N N 15 111.1 0.2 . 1 . . . . . . . . 4926 1 8 . 1 1 3 3 GLU H H 1 6.71 0.01 . 1 . . . . . . . . 4926 1 9 . 1 1 3 3 GLU HA H 1 5.35 0.01 . 1 . . . . . . . . 4926 1 10 . 1 1 3 3 GLU HB2 H 1 1.78 0.01 . 2 . . . . . . . . 4926 1 11 . 1 1 3 3 GLU HB3 H 1 2.18 0.01 . 2 . . . . . . . . 4926 1 12 . 1 1 3 3 GLU HG2 H 1 2.08 0.01 . 2 . . . . . . . . 4926 1 13 . 1 1 3 3 GLU HG3 H 1 2.20 0.01 . 2 . . . . . . . . 4926 1 14 . 1 1 3 3 GLU N N 15 115.9 0.2 . 1 . . . . . . . . 4926 1 15 . 1 1 4 4 TRP H H 1 8.20 0.01 . 1 . . . . . . . . 4926 1 16 . 1 1 4 4 TRP HA H 1 5.15 0.01 . 1 . . . . . . . . 4926 1 17 . 1 1 4 4 TRP HB2 H 1 2.92 0.01 . 2 . . . . . . . . 4926 1 18 . 1 1 4 4 TRP HB3 H 1 3.08 0.01 . 2 . . . . . . . . 4926 1 19 . 1 1 4 4 TRP HD1 H 1 7.11 0.01 . 1 . . . . . . . . 4926 1 20 . 1 1 4 4 TRP HE1 H 1 11.52 0.01 . 1 . . . . . . . . 4926 1 21 . 1 1 4 4 TRP HE3 H 1 7.42 0.01 . 1 . . . . . . . . 4926 1 22 . 1 1 4 4 TRP HZ2 H 1 7.15 0.01 . 1 . . . . . . . . 4926 1 23 . 1 1 4 4 TRP HZ3 H 1 6.68 0.01 . 1 . . . . . . . . 4926 1 24 . 1 1 4 4 TRP HH2 H 1 6.77 0.01 . 1 . . . . . . . . 4926 1 25 . 1 1 4 4 TRP N N 15 117.8 0.2 . 1 . . . . . . . . 4926 1 26 . 1 1 4 4 TRP NE1 N 15 130.9 0.2 . 1 . . . . . . . . 4926 1 27 . 1 1 5 5 PRO HG2 H 1 2.08 0.01 . 2 . . . . . . . . 4926 1 28 . 1 1 5 5 PRO HG3 H 1 2.34 0.01 . 2 . . . . . . . . 4926 1 29 . 1 1 5 5 PRO HD2 H 1 3.27 0.01 . 2 . . . . . . . . 4926 1 30 . 1 1 5 5 PRO HD3 H 1 3.88 0.01 . 2 . . . . . . . . 4926 1 31 . 1 1 6 6 GLU H H 1 10.71 0.01 . 1 . . . . . . . . 4926 1 32 . 1 1 6 6 GLU HA H 1 4.38 0.01 . 1 . . . . . . . . 4926 1 33 . 1 1 6 6 GLU HB2 H 1 2.15 0.01 . 1 . . . . . . . . 4926 1 34 . 1 1 6 6 GLU HB3 H 1 2.15 0.01 . 1 . . . . . . . . 4926 1 35 . 1 1 6 6 GLU HG2 H 1 2.54 0.01 . 1 . . . . . . . . 4926 1 36 . 1 1 6 6 GLU HG3 H 1 2.54 0.01 . 1 . . . . . . . . 4926 1 37 . 1 1 6 6 GLU N N 15 119.3 0.2 . 1 . . . . . . . . 4926 1 38 . 1 1 7 7 LEU H H 1 7.86 0.01 . 1 . . . . . . . . 4926 1 39 . 1 1 7 7 LEU HA H 1 4.40 0.01 . 1 . . . . . . . . 4926 1 40 . 1 1 7 7 LEU HB2 H 1 1.75 0.01 . 2 . . . . . . . . 4926 1 41 . 1 1 7 7 LEU HB3 H 1 1.91 0.01 . 2 . . . . . . . . 4926 1 42 . 1 1 7 7 LEU HG H 1 1.57 0.01 . 1 . . . . . . . . 4926 1 43 . 1 1 7 7 LEU HD11 H 1 0.84 0.01 . 2 . . . . . . . . 4926 1 44 . 1 1 7 7 LEU HD12 H 1 0.84 0.01 . 2 . . . . . . . . 4926 1 45 . 1 1 7 7 LEU HD13 H 1 0.84 0.01 . 2 . . . . . . . . 4926 1 46 . 1 1 7 7 LEU HD21 H 1 0.90 0.01 . 2 . . . . . . . . 4926 1 47 . 1 1 7 7 LEU HD22 H 1 0.90 0.01 . 2 . . . . . . . . 4926 1 48 . 1 1 7 7 LEU HD23 H 1 0.90 0.01 . 2 . . . . . . . . 4926 1 49 . 1 1 7 7 LEU N N 15 117.9 0.2 . 1 . . . . . . . . 4926 1 50 . 1 1 8 8 VAL H H 1 7.12 0.01 . 1 . . . . . . . . 4926 1 51 . 1 1 8 8 VAL HA H 1 3.30 0.01 . 1 . . . . . . . . 4926 1 52 . 1 1 8 8 VAL HB H 1 2.00 0.01 . 1 . . . . . . . . 4926 1 53 . 1 1 8 8 VAL HG11 H 1 0.88 0.01 . 2 . . . . . . . . 4926 1 54 . 1 1 8 8 VAL HG12 H 1 0.88 0.01 . 2 . . . . . . . . 4926 1 55 . 1 1 8 8 VAL HG13 H 1 0.88 0.01 . 2 . . . . . . . . 4926 1 56 . 1 1 8 8 VAL HG21 H 1 0.99 0.01 . 2 . . . . . . . . 4926 1 57 . 1 1 8 8 VAL HG22 H 1 0.99 0.01 . 2 . . . . . . . . 4926 1 58 . 1 1 8 8 VAL HG23 H 1 0.99 0.01 . 2 . . . . . . . . 4926 1 59 . 1 1 8 8 VAL N N 15 118.3 0.2 . 1 . . . . . . . . 4926 1 60 . 1 1 9 9 GLY H H 1 9.05 0.01 . 1 . . . . . . . . 4926 1 61 . 1 1 9 9 GLY HA2 H 1 3.67 0.01 . 2 . . . . . . . . 4926 1 62 . 1 1 9 9 GLY HA3 H 1 4.38 0.01 . 2 . . . . . . . . 4926 1 63 . 1 1 9 9 GLY N N 15 115.4 0.2 . 1 . . . . . . . . 4926 1 64 . 1 1 10 10 LYS H H 1 7.76 0.01 . 1 . . . . . . . . 4926 1 65 . 1 1 10 10 LYS HA H 1 4.56 0.01 . 1 . . . . . . . . 4926 1 66 . 1 1 10 10 LYS HB2 H 1 1.89 0.01 . 2 . . . . . . . . 4926 1 67 . 1 1 10 10 LYS HB3 H 1 2.05 0.01 . 2 . . . . . . . . 4926 1 68 . 1 1 10 10 LYS HG2 H 1 1.36 0.01 . 2 . . . . . . . . 4926 1 69 . 1 1 10 10 LYS HG3 H 1 1.65 0.01 . 2 . . . . . . . . 4926 1 70 . 1 1 10 10 LYS HD2 H 1 1.45 0.01 . 1 . . . . . . . . 4926 1 71 . 1 1 10 10 LYS HD3 H 1 1.45 0.01 . 1 . . . . . . . . 4926 1 72 . 1 1 10 10 LYS HE2 H 1 3.04 0.01 . 1 . . . . . . . . 4926 1 73 . 1 1 10 10 LYS HE3 H 1 3.04 0.01 . 1 . . . . . . . . 4926 1 74 . 1 1 10 10 LYS N N 15 118.1 0.2 . 1 . . . . . . . . 4926 1 75 . 1 1 11 11 SER H H 1 8.54 0.01 . 1 . . . . . . . . 4926 1 76 . 1 1 11 11 SER HA H 1 4.98 0.01 . 1 . . . . . . . . 4926 1 77 . 1 1 11 11 SER HB2 H 1 4.07 0.01 . 2 . . . . . . . . 4926 1 78 . 1 1 11 11 SER HB3 H 1 4.42 0.01 . 2 . . . . . . . . 4926 1 79 . 1 1 11 11 SER N N 15 114.7 0.2 . 1 . . . . . . . . 4926 1 80 . 1 1 12 12 VAL H H 1 8.52 0.01 . 1 . . . . . . . . 4926 1 81 . 1 1 12 12 VAL HA H 1 3.64 0.01 . 1 . . . . . . . . 4926 1 82 . 1 1 12 12 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 4926 1 83 . 1 1 12 12 VAL HG11 H 1 0.92 0.01 . 2 . . . . . . . . 4926 1 84 . 1 1 12 12 VAL HG12 H 1 0.92 0.01 . 2 . . . . . . . . 4926 1 85 . 1 1 12 12 VAL HG13 H 1 0.92 0.01 . 2 . . . . . . . . 4926 1 86 . 1 1 12 12 VAL HG21 H 1 0.97 0.01 . 2 . . . . . . . . 4926 1 87 . 1 1 12 12 VAL HG22 H 1 0.97 0.01 . 2 . . . . . . . . 4926 1 88 . 1 1 12 12 VAL HG23 H 1 0.97 0.01 . 2 . . . . . . . . 4926 1 89 . 1 1 12 12 VAL N N 15 121.2 0.2 . 1 . . . . . . . . 4926 1 90 . 1 1 13 13 GLU H H 1 8.14 0.01 . 1 . . . . . . . . 4926 1 91 . 1 1 13 13 GLU HA H 1 3.96 0.01 . 1 . . . . . . . . 4926 1 92 . 1 1 13 13 GLU HB2 H 1 2.03 0.01 . 1 . . . . . . . . 4926 1 93 . 1 1 13 13 GLU HB3 H 1 2.03 0.01 . 1 . . . . . . . . 4926 1 94 . 1 1 13 13 GLU HG2 H 1 2.30 0.01 . 2 . . . . . . . . 4926 1 95 . 1 1 13 13 GLU HG3 H 1 2.32 0.01 . 2 . . . . . . . . 4926 1 96 . 1 1 13 13 GLU N N 15 118.0 0.2 . 1 . . . . . . . . 4926 1 97 . 1 1 14 14 GLU H H 1 7.55 0.01 . 1 . . . . . . . . 4926 1 98 . 1 1 14 14 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 4926 1 99 . 1 1 14 14 GLU HB2 H 1 2.01 0.01 . 2 . . . . . . . . 4926 1 100 . 1 1 14 14 GLU HB3 H 1 2.17 0.01 . 2 . . . . . . . . 4926 1 101 . 1 1 14 14 GLU HG2 H 1 2.30 0.01 . 2 . . . . . . . . 4926 1 102 . 1 1 14 14 GLU HG3 H 1 2.33 0.01 . 2 . . . . . . . . 4926 1 103 . 1 1 14 14 GLU N N 15 119.4 0.2 . 1 . . . . . . . . 4926 1 104 . 1 1 15 15 ALA H H 1 8.41 0.01 . 1 . . . . . . . . 4926 1 105 . 1 1 15 15 ALA HA H 1 4.02 0.01 . 1 . . . . . . . . 4926 1 106 . 1 1 15 15 ALA HB1 H 1 1.37 0.01 . 1 . . . . . . . . 4926 1 107 . 1 1 15 15 ALA HB2 H 1 1.37 0.01 . 1 . . . . . . . . 4926 1 108 . 1 1 15 15 ALA HB3 H 1 1.37 0.01 . 1 . . . . . . . . 4926 1 109 . 1 1 15 15 ALA N N 15 119.3 0.2 . 1 . . . . . . . . 4926 1 110 . 1 1 16 16 LYS H H 1 8.42 0.01 . 1 . . . . . . . . 4926 1 111 . 1 1 16 16 LYS HA H 1 3.45 0.01 . 1 . . . . . . . . 4926 1 112 . 1 1 16 16 LYS N N 15 115.1 0.2 . 1 . . . . . . . . 4926 1 113 . 1 1 17 17 LYS H H 1 6.94 0.01 . 1 . . . . . . . . 4926 1 114 . 1 1 17 17 LYS HA H 1 3.85 0.01 . 1 . . . . . . . . 4926 1 115 . 1 1 17 17 LYS HB2 H 1 1.59 0.01 . 2 . . . . . . . . 4926 1 116 . 1 1 17 17 LYS HB3 H 1 1.89 0.01 . 2 . . . . . . . . 4926 1 117 . 1 1 17 17 LYS HG2 H 1 1.36 0.01 . 1 . . . . . . . . 4926 1 118 . 1 1 17 17 LYS HG3 H 1 1.36 0.01 . 1 . . . . . . . . 4926 1 119 . 1 1 17 17 LYS HD2 H 1 1.68 0.01 . 1 . . . . . . . . 4926 1 120 . 1 1 17 17 LYS HD3 H 1 1.68 0.01 . 1 . . . . . . . . 4926 1 121 . 1 1 17 17 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 4926 1 122 . 1 1 17 17 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 4926 1 123 . 1 1 17 17 LYS N N 15 114.7 0.2 . 1 . . . . . . . . 4926 1 124 . 1 1 18 18 VAL H H 1 7.45 0.01 . 1 . . . . . . . . 4926 1 125 . 1 1 18 18 VAL HA H 1 3.58 0.01 . 1 . . . . . . . . 4926 1 126 . 1 1 18 18 VAL HB H 1 1.97 0.01 . 1 . . . . . . . . 4926 1 127 . 1 1 18 18 VAL HG11 H 1 1.03 0.01 . 2 . . . . . . . . 4926 1 128 . 1 1 18 18 VAL HG12 H 1 1.03 0.01 . 2 . . . . . . . . 4926 1 129 . 1 1 18 18 VAL HG13 H 1 1.03 0.01 . 2 . . . . . . . . 4926 1 130 . 1 1 18 18 VAL HG21 H 1 1.07 0.01 . 2 . . . . . . . . 4926 1 131 . 1 1 18 18 VAL HG22 H 1 1.07 0.01 . 2 . . . . . . . . 4926 1 132 . 1 1 18 18 VAL HG23 H 1 1.07 0.01 . 2 . . . . . . . . 4926 1 133 . 1 1 18 18 VAL N N 15 118.5 0.2 . 1 . . . . . . . . 4926 1 134 . 1 1 19 19 ILE H H 1 8.06 0.01 . 1 . . . . . . . . 4926 1 135 . 1 1 19 19 ILE HA H 1 2.96 0.01 . 1 . . . . . . . . 4926 1 136 . 1 1 19 19 ILE HB H 1 1.19 0.01 . 1 . . . . . . . . 4926 1 137 . 1 1 19 19 ILE HG12 H 1 0.70 0.01 . 2 . . . . . . . . 4926 1 138 . 1 1 19 19 ILE HG13 H 1 -1.10 0.01 . 2 . . . . . . . . 4926 1 139 . 1 1 19 19 ILE HG21 H 1 0.09 0.01 . 1 . . . . . . . . 4926 1 140 . 1 1 19 19 ILE HG22 H 1 0.09 0.01 . 1 . . . . . . . . 4926 1 141 . 1 1 19 19 ILE HG23 H 1 0.09 0.01 . 1 . . . . . . . . 4926 1 142 . 1 1 19 19 ILE HD11 H 1 -0.08 0.01 . 1 . . . . . . . . 4926 1 143 . 1 1 19 19 ILE HD12 H 1 -0.08 0.01 . 1 . . . . . . . . 4926 1 144 . 1 1 19 19 ILE HD13 H 1 -0.08 0.01 . 1 . . . . . . . . 4926 1 145 . 1 1 19 19 ILE N N 15 118.8 0.2 . 1 . . . . . . . . 4926 1 146 . 1 1 20 20 LEU H H 1 7.85 0.01 . 1 . . . . . . . . 4926 1 147 . 1 1 20 20 LEU HA H 1 4.08 0.01 . 1 . . . . . . . . 4926 1 148 . 1 1 20 20 LEU HB2 H 1 1.37 0.01 . 2 . . . . . . . . 4926 1 149 . 1 1 20 20 LEU HB3 H 1 1.74 0.01 . 2 . . . . . . . . 4926 1 150 . 1 1 20 20 LEU HG H 1 1.65 0.01 . 1 . . . . . . . . 4926 1 151 . 1 1 20 20 LEU HD11 H 1 0.82 0.01 . 2 . . . . . . . . 4926 1 152 . 1 1 20 20 LEU HD12 H 1 0.82 0.01 . 2 . . . . . . . . 4926 1 153 . 1 1 20 20 LEU HD13 H 1 0.82 0.01 . 2 . . . . . . . . 4926 1 154 . 1 1 20 20 LEU HD21 H 1 0.92 0.01 . 2 . . . . . . . . 4926 1 155 . 1 1 20 20 LEU HD22 H 1 0.92 0.01 . 2 . . . . . . . . 4926 1 156 . 1 1 20 20 LEU HD23 H 1 0.92 0.01 . 2 . . . . . . . . 4926 1 157 . 1 1 20 20 LEU N N 15 115.2 0.2 . 1 . . . . . . . . 4926 1 158 . 1 1 21 21 GLN H H 1 7.30 0.01 . 1 . . . . . . . . 4926 1 159 . 1 1 21 21 GLN HA H 1 4.11 0.01 . 1 . . . . . . . . 4926 1 160 . 1 1 21 21 GLN HB2 H 1 2.20 0.01 . 2 . . . . . . . . 4926 1 161 . 1 1 21 21 GLN HB3 H 1 2.31 0.01 . 2 . . . . . . . . 4926 1 162 . 1 1 21 21 GLN HG2 H 1 2.45 0.01 . 2 . . . . . . . . 4926 1 163 . 1 1 21 21 GLN HG3 H 1 2.52 0.01 . 2 . . . . . . . . 4926 1 164 . 1 1 21 21 GLN N N 15 117.1 0.2 . 1 . . . . . . . . 4926 1 165 . 1 1 22 22 ASP H H 1 7.60 0.01 . 1 . . . . . . . . 4926 1 166 . 1 1 22 22 ASP HA H 1 4.67 0.01 . 1 . . . . . . . . 4926 1 167 . 1 1 22 22 ASP HB2 H 1 2.95 0.01 . 2 . . . . . . . . 4926 1 168 . 1 1 22 22 ASP HB3 H 1 3.06 0.01 . 2 . . . . . . . . 4926 1 169 . 1 1 22 22 ASP N N 15 117.8 0.2 . 1 . . . . . . . . 4926 1 170 . 1 1 23 23 LYS H H 1 9.06 0.01 . 1 . . . . . . . . 4926 1 171 . 1 1 23 23 LYS HA H 1 4.74 0.01 . 1 . . . . . . . . 4926 1 172 . 1 1 23 23 LYS HB2 H 1 2.06 0.01 . 1 . . . . . . . . 4926 1 173 . 1 1 23 23 LYS HB3 H 1 2.06 0.01 . 1 . . . . . . . . 4926 1 174 . 1 1 23 23 LYS HG2 H 1 1.68 0.01 . 2 . . . . . . . . 4926 1 175 . 1 1 23 23 LYS HG3 H 1 2.00 0.01 . 2 . . . . . . . . 4926 1 176 . 1 1 23 23 LYS HD2 H 1 1.08 0.01 . 1 . . . . . . . . 4926 1 177 . 1 1 23 23 LYS HD3 H 1 1.08 0.01 . 1 . . . . . . . . 4926 1 178 . 1 1 23 23 LYS N N 15 122.7 0.2 . 1 . . . . . . . . 4926 1 179 . 1 1 24 24 PRO HB2 H 1 1.95 0.01 . 1 . . . . . . . . 4926 1 180 . 1 1 24 24 PRO HB3 H 1 1.95 0.01 . 1 . . . . . . . . 4926 1 181 . 1 1 24 24 PRO HG2 H 1 2.07 0.01 . 2 . . . . . . . . 4926 1 182 . 1 1 24 24 PRO HG3 H 1 2.46 0.01 . 2 . . . . . . . . 4926 1 183 . 1 1 24 24 PRO HD2 H 1 3.43 0.01 . 2 . . . . . . . . 4926 1 184 . 1 1 24 24 PRO HD3 H 1 3.75 0.01 . 2 . . . . . . . . 4926 1 185 . 1 1 25 25 GLU H H 1 9.48 0.01 . 1 . . . . . . . . 4926 1 186 . 1 1 25 25 GLU HA H 1 4.42 0.01 . 1 . . . . . . . . 4926 1 187 . 1 1 25 25 GLU HB2 H 1 2.00 0.01 . 2 . . . . . . . . 4926 1 188 . 1 1 25 25 GLU HB3 H 1 2.09 0.01 . 2 . . . . . . . . 4926 1 189 . 1 1 25 25 GLU HG2 H 1 2.39 0.01 . 2 . . . . . . . . 4926 1 190 . 1 1 25 25 GLU HG3 H 1 2.46 0.01 . 2 . . . . . . . . 4926 1 191 . 1 1 25 25 GLU N N 15 117.2 0.2 . 1 . . . . . . . . 4926 1 192 . 1 1 26 26 ALA H H 1 7.97 0.01 . 1 . . . . . . . . 4926 1 193 . 1 1 26 26 ALA HA H 1 4.17 0.01 . 1 . . . . . . . . 4926 1 194 . 1 1 26 26 ALA HB1 H 1 1.14 0.01 . 1 . . . . . . . . 4926 1 195 . 1 1 26 26 ALA HB2 H 1 1.14 0.01 . 1 . . . . . . . . 4926 1 196 . 1 1 26 26 ALA HB3 H 1 1.14 0.01 . 1 . . . . . . . . 4926 1 197 . 1 1 26 26 ALA N N 15 122.5 0.2 . 1 . . . . . . . . 4926 1 198 . 1 1 27 27 GLN H H 1 8.84 0.01 . 1 . . . . . . . . 4926 1 199 . 1 1 27 27 GLN HA H 1 4.40 0.01 . 1 . . . . . . . . 4926 1 200 . 1 1 27 27 GLN HB2 H 1 1.81 0.01 . 2 . . . . . . . . 4926 1 201 . 1 1 27 27 GLN HB3 H 1 1.92 0.01 . 2 . . . . . . . . 4926 1 202 . 1 1 27 27 GLN HG2 H 1 2.16 0.01 . 2 . . . . . . . . 4926 1 203 . 1 1 27 27 GLN HG3 H 1 2.31 0.01 . 2 . . . . . . . . 4926 1 204 . 1 1 27 27 GLN N N 15 122.3 0.2 . 1 . . . . . . . . 4926 1 205 . 1 1 28 28 ILE H H 1 8.24 0.01 . 1 . . . . . . . . 4926 1 206 . 1 1 28 28 ILE HA H 1 4.68 0.01 . 1 . . . . . . . . 4926 1 207 . 1 1 28 28 ILE HB H 1 1.66 0.01 . 1 . . . . . . . . 4926 1 208 . 1 1 28 28 ILE HG12 H 1 1.39 0.01 . 1 . . . . . . . . 4926 1 209 . 1 1 28 28 ILE HG13 H 1 1.39 0.01 . 1 . . . . . . . . 4926 1 210 . 1 1 28 28 ILE HG21 H 1 0.63 0.01 . 1 . . . . . . . . 4926 1 211 . 1 1 28 28 ILE HG22 H 1 0.63 0.01 . 1 . . . . . . . . 4926 1 212 . 1 1 28 28 ILE HG23 H 1 0.63 0.01 . 1 . . . . . . . . 4926 1 213 . 1 1 28 28 ILE HD11 H 1 0.78 0.01 . 1 . . . . . . . . 4926 1 214 . 1 1 28 28 ILE HD12 H 1 0.78 0.01 . 1 . . . . . . . . 4926 1 215 . 1 1 28 28 ILE HD13 H 1 0.78 0.01 . 1 . . . . . . . . 4926 1 216 . 1 1 28 28 ILE N N 15 125.3 0.2 . 1 . . . . . . . . 4926 1 217 . 1 1 29 29 ILE H H 1 7.96 0.01 . 1 . . . . . . . . 4926 1 218 . 1 1 29 29 ILE HA H 1 4.39 0.01 . 1 . . . . . . . . 4926 1 219 . 1 1 29 29 ILE HB H 1 1.57 0.01 . 1 . . . . . . . . 4926 1 220 . 1 1 29 29 ILE HG12 H 1 1.15 0.01 . 2 . . . . . . . . 4926 1 221 . 1 1 29 29 ILE HG13 H 1 1.29 0.01 . 2 . . . . . . . . 4926 1 222 . 1 1 29 29 ILE HG21 H 1 0.80 0.01 . 1 . . . . . . . . 4926 1 223 . 1 1 29 29 ILE HG22 H 1 0.80 0.01 . 1 . . . . . . . . 4926 1 224 . 1 1 29 29 ILE HG23 H 1 0.80 0.01 . 1 . . . . . . . . 4926 1 225 . 1 1 29 29 ILE HD11 H 1 0.74 0.01 . 1 . . . . . . . . 4926 1 226 . 1 1 29 29 ILE HD12 H 1 0.74 0.01 . 1 . . . . . . . . 4926 1 227 . 1 1 29 29 ILE HD13 H 1 0.74 0.01 . 1 . . . . . . . . 4926 1 228 . 1 1 29 29 ILE N N 15 128.4 0.2 . 1 . . . . . . . . 4926 1 229 . 1 1 30 30 VAL H H 1 8.41 0.01 . 1 . . . . . . . . 4926 1 230 . 1 1 30 30 VAL HA H 1 4.63 0.01 . 1 . . . . . . . . 4926 1 231 . 1 1 30 30 VAL HB H 1 1.89 0.01 . 1 . . . . . . . . 4926 1 232 . 1 1 30 30 VAL HG11 H 1 0.80 0.01 . 2 . . . . . . . . 4926 1 233 . 1 1 30 30 VAL HG12 H 1 0.80 0.01 . 2 . . . . . . . . 4926 1 234 . 1 1 30 30 VAL HG13 H 1 0.80 0.01 . 2 . . . . . . . . 4926 1 235 . 1 1 30 30 VAL HG21 H 1 0.84 0.01 . 2 . . . . . . . . 4926 1 236 . 1 1 30 30 VAL HG22 H 1 0.84 0.01 . 2 . . . . . . . . 4926 1 237 . 1 1 30 30 VAL HG23 H 1 0.84 0.01 . 2 . . . . . . . . 4926 1 238 . 1 1 30 30 VAL N N 15 127.5 0.2 . 1 . . . . . . . . 4926 1 239 . 1 1 31 31 LEU H H 1 9.08 0.01 . 1 . . . . . . . . 4926 1 240 . 1 1 31 31 LEU HA H 1 4.95 0.01 . 1 . . . . . . . . 4926 1 241 . 1 1 31 31 LEU HB2 H 1 1.19 0.01 . 2 . . . . . . . . 4926 1 242 . 1 1 31 31 LEU HB3 H 1 1.39 0.01 . 2 . . . . . . . . 4926 1 243 . 1 1 31 31 LEU HG H 1 1.27 0.01 . 1 . . . . . . . . 4926 1 244 . 1 1 31 31 LEU HD11 H 1 0.59 0.01 . 2 . . . . . . . . 4926 1 245 . 1 1 31 31 LEU HD12 H 1 0.59 0.01 . 2 . . . . . . . . 4926 1 246 . 1 1 31 31 LEU HD13 H 1 0.59 0.01 . 2 . . . . . . . . 4926 1 247 . 1 1 31 31 LEU HD21 H 1 0.81 0.01 . 2 . . . . . . . . 4926 1 248 . 1 1 31 31 LEU HD22 H 1 0.81 0.01 . 2 . . . . . . . . 4926 1 249 . 1 1 31 31 LEU HD23 H 1 0.81 0.01 . 2 . . . . . . . . 4926 1 250 . 1 1 31 31 LEU N N 15 129.5 0.2 . 1 . . . . . . . . 4926 1 251 . 1 1 32 32 PRO HD2 H 1 3.65 0.01 . 2 . . . . . . . . 4926 1 252 . 1 1 32 32 PRO HD3 H 1 3.85 0.01 . 2 . . . . . . . . 4926 1 253 . 1 1 33 33 VAL H H 1 8.75 0.01 . 1 . . . . . . . . 4926 1 254 . 1 1 33 33 VAL HA H 1 4.08 0.01 . 1 . . . . . . . . 4926 1 255 . 1 1 33 33 VAL HB H 1 1.83 0.01 . 1 . . . . . . . . 4926 1 256 . 1 1 33 33 VAL HG11 H 1 0.95 0.01 . 1 . . . . . . . . 4926 1 257 . 1 1 33 33 VAL HG12 H 1 0.95 0.01 . 1 . . . . . . . . 4926 1 258 . 1 1 33 33 VAL HG13 H 1 0.95 0.01 . 1 . . . . . . . . 4926 1 259 . 1 1 33 33 VAL HG21 H 1 0.95 0.01 . 1 . . . . . . . . 4926 1 260 . 1 1 33 33 VAL HG22 H 1 0.95 0.01 . 1 . . . . . . . . 4926 1 261 . 1 1 33 33 VAL HG23 H 1 0.95 0.01 . 1 . . . . . . . . 4926 1 262 . 1 1 33 33 VAL N N 15 122.8 0.2 . 1 . . . . . . . . 4926 1 263 . 1 1 34 34 GLY H H 1 8.56 0.01 . 1 . . . . . . . . 4926 1 264 . 1 1 34 34 GLY HA2 H 1 3.89 0.01 . 2 . . . . . . . . 4926 1 265 . 1 1 34 34 GLY HA3 H 1 4.08 0.01 . 2 . . . . . . . . 4926 1 266 . 1 1 34 34 GLY N N 15 111.8 0.2 . 1 . . . . . . . . 4926 1 267 . 1 1 35 35 THR H H 1 7.83 0.01 . 1 . . . . . . . . 4926 1 268 . 1 1 35 35 THR HA H 1 4.27 0.01 . 1 . . . . . . . . 4926 1 269 . 1 1 35 35 THR HB H 1 4.22 0.01 . 1 . . . . . . . . 4926 1 270 . 1 1 35 35 THR HG21 H 1 1.27 0.01 . 1 . . . . . . . . 4926 1 271 . 1 1 35 35 THR HG22 H 1 1.27 0.01 . 1 . . . . . . . . 4926 1 272 . 1 1 35 35 THR HG23 H 1 1.27 0.01 . 1 . . . . . . . . 4926 1 273 . 1 1 35 35 THR N N 15 113.6 0.2 . 1 . . . . . . . . 4926 1 274 . 1 1 36 36 ILE H H 1 8.08 0.01 . 1 . . . . . . . . 4926 1 275 . 1 1 36 36 ILE HA H 1 4.16 0.01 . 1 . . . . . . . . 4926 1 276 . 1 1 36 36 ILE HB H 1 1.84 0.01 . 1 . . . . . . . . 4926 1 277 . 1 1 36 36 ILE HG12 H 1 1.43 0.01 . 1 . . . . . . . . 4926 1 278 . 1 1 36 36 ILE HG13 H 1 1.43 0.01 . 1 . . . . . . . . 4926 1 279 . 1 1 36 36 ILE HG21 H 1 0.84 0.01 . 1 . . . . . . . . 4926 1 280 . 1 1 36 36 ILE HG22 H 1 0.84 0.01 . 1 . . . . . . . . 4926 1 281 . 1 1 36 36 ILE HG23 H 1 0.84 0.01 . 1 . . . . . . . . 4926 1 282 . 1 1 36 36 ILE N N 15 123.0 0.2 . 1 . . . . . . . . 4926 1 283 . 1 1 37 37 VAL H H 1 8.05 0.01 . 1 . . . . . . . . 4926 1 284 . 1 1 37 37 VAL HA H 1 4.21 0.01 . 1 . . . . . . . . 4926 1 285 . 1 1 37 37 VAL HB H 1 2.12 0.01 . 1 . . . . . . . . 4926 1 286 . 1 1 37 37 VAL HG11 H 1 0.94 0.01 . 1 . . . . . . . . 4926 1 287 . 1 1 37 37 VAL HG12 H 1 0.94 0.01 . 1 . . . . . . . . 4926 1 288 . 1 1 37 37 VAL HG13 H 1 0.94 0.01 . 1 . . . . . . . . 4926 1 289 . 1 1 37 37 VAL HG21 H 1 0.94 0.01 . 1 . . . . . . . . 4926 1 290 . 1 1 37 37 VAL HG22 H 1 0.94 0.01 . 1 . . . . . . . . 4926 1 291 . 1 1 37 37 VAL HG23 H 1 0.94 0.01 . 1 . . . . . . . . 4926 1 292 . 1 1 37 37 VAL N N 15 122.6 0.2 . 2 . . . . . . . . 4926 1 293 . 1 1 38 38 THR H H 1 7.98 0.01 . 1 . . . . . . . . 4926 1 294 . 1 1 38 38 THR N N 15 116.0 0.2 . 1 . . . . . . . . 4926 1 295 . 1 1 39 39 MET H H 1 8.29 0.01 . 1 . . . . . . . . 4926 1 296 . 1 1 39 39 MET N N 15 121.8 0.2 . 1 . . . . . . . . 4926 1 297 . 1 1 52 52 MET H H 1 8.14 0.01 . 1 . . . . . . . . 4926 1 298 . 1 1 52 52 MET HA H 1 4.51 0.01 . 1 . . . . . . . . 4926 1 299 . 1 1 52 52 MET HB2 H 1 2.14 0.01 . 1 . . . . . . . . 4926 1 300 . 1 1 52 52 MET HB3 H 1 2.14 0.01 . 1 . . . . . . . . 4926 1 301 . 1 1 52 52 MET HG2 H 1 2.53 0.01 . 2 . . . . . . . . 4926 1 302 . 1 1 52 52 MET HG3 H 1 2.62 0.01 . 2 . . . . . . . . 4926 1 303 . 1 1 52 52 MET N N 15 118.8 0.2 . 1 . . . . . . . . 4926 1 304 . 1 1 53 53 GLU H H 1 8.47 0.01 . 1 . . . . . . . . 4926 1 305 . 1 1 53 53 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 4926 1 306 . 1 1 53 53 GLU HB2 H 1 1.98 0.01 . 2 . . . . . . . . 4926 1 307 . 1 1 53 53 GLU HB3 H 1 2.08 0.01 . 2 . . . . . . . . 4926 1 308 . 1 1 53 53 GLU HG2 H 1 2.16 0.01 . 2 . . . . . . . . 4926 1 309 . 1 1 53 53 GLU HG3 H 1 2.30 0.01 . 2 . . . . . . . . 4926 1 310 . 1 1 53 53 GLU N N 15 121.7 0.2 . 1 . . . . . . . . 4926 1 311 . 1 1 54 54 TYR H H 1 8.17 0.01 . 1 . . . . . . . . 4926 1 312 . 1 1 54 54 TYR HA H 1 4.63 0.01 . 1 . . . . . . . . 4926 1 313 . 1 1 54 54 TYR HB2 H 1 2.98 0.01 . 2 . . . . . . . . 4926 1 314 . 1 1 54 54 TYR HB3 H 1 3.04 0.01 . 2 . . . . . . . . 4926 1 315 . 1 1 54 54 TYR HD1 H 1 7.14 0.01 . 1 . . . . . . . . 4926 1 316 . 1 1 54 54 TYR HD2 H 1 7.14 0.01 . 1 . . . . . . . . 4926 1 317 . 1 1 54 54 TYR HE1 H 1 6.80 0.01 . 1 . . . . . . . . 4926 1 318 . 1 1 54 54 TYR HE2 H 1 6.80 0.01 . 1 . . . . . . . . 4926 1 319 . 1 1 54 54 TYR N N 15 122.9 0.2 . 1 . . . . . . . . 4926 1 320 . 1 1 55 55 ARG H H 1 8.66 0.01 . 1 . . . . . . . . 4926 1 321 . 1 1 55 55 ARG HA H 1 4.50 0.01 . 1 . . . . . . . . 4926 1 322 . 1 1 55 55 ARG HB2 H 1 1.53 0.01 . 2 . . . . . . . . 4926 1 323 . 1 1 55 55 ARG HB3 H 1 1.80 0.01 . 2 . . . . . . . . 4926 1 324 . 1 1 55 55 ARG HG2 H 1 1.47 0.01 . 2 . . . . . . . . 4926 1 325 . 1 1 55 55 ARG HG3 H 1 1.58 0.01 . 2 . . . . . . . . 4926 1 326 . 1 1 55 55 ARG HD2 H 1 3.04 0.01 . 2 . . . . . . . . 4926 1 327 . 1 1 55 55 ARG HD3 H 1 3.16 0.01 . 2 . . . . . . . . 4926 1 328 . 1 1 55 55 ARG N N 15 128.7 0.2 . 1 . . . . . . . . 4926 1 329 . 1 1 56 56 ILE H H 1 8.01 0.01 . 1 . . . . . . . . 4926 1 330 . 1 1 56 56 ILE HA H 1 3.77 0.01 . 1 . . . . . . . . 4926 1 331 . 1 1 56 56 ILE HB H 1 1.90 0.01 . 1 . . . . . . . . 4926 1 332 . 1 1 56 56 ILE HG12 H 1 1.31 0.01 . 2 . . . . . . . . 4926 1 333 . 1 1 56 56 ILE HG13 H 1 1.51 0.01 . 2 . . . . . . . . 4926 1 334 . 1 1 56 56 ILE HG21 H 1 0.95 0.01 . 1 . . . . . . . . 4926 1 335 . 1 1 56 56 ILE HG22 H 1 0.95 0.01 . 1 . . . . . . . . 4926 1 336 . 1 1 56 56 ILE HG23 H 1 0.95 0.01 . 1 . . . . . . . . 4926 1 337 . 1 1 56 56 ILE N N 15 120.4 0.2 . 1 . . . . . . . . 4926 1 338 . 1 1 57 57 ASP H H 1 8.39 0.01 . 1 . . . . . . . . 4926 1 339 . 1 1 57 57 ASP HA H 1 4.40 0.01 . 1 . . . . . . . . 4926 1 340 . 1 1 57 57 ASP HB2 H 1 2.62 0.01 . 2 . . . . . . . . 4926 1 341 . 1 1 57 57 ASP HB3 H 1 2.74 0.01 . 2 . . . . . . . . 4926 1 342 . 1 1 57 57 ASP N N 15 116.1 0.2 . 1 . . . . . . . . 4926 1 343 . 1 1 58 58 ARG H H 1 7.29 0.01 . 1 . . . . . . . . 4926 1 344 . 1 1 58 58 ARG HA H 1 4.96 0.01 . 1 . . . . . . . . 4926 1 345 . 1 1 58 58 ARG HB2 H 1 2.27 0.01 . 1 . . . . . . . . 4926 1 346 . 1 1 58 58 ARG HB3 H 1 2.27 0.01 . 1 . . . . . . . . 4926 1 347 . 1 1 58 58 ARG HG2 H 1 1.66 0.01 . 1 . . . . . . . . 4926 1 348 . 1 1 58 58 ARG HG3 H 1 1.66 0.01 . 1 . . . . . . . . 4926 1 349 . 1 1 58 58 ARG N N 15 122.2 0.2 . 1 . . . . . . . . 4926 1 350 . 1 1 59 59 VAL H H 1 8.17 0.01 . 1 . . . . . . . . 4926 1 351 . 1 1 59 59 VAL HA H 1 4.38 0.01 . 1 . . . . . . . . 4926 1 352 . 1 1 59 59 VAL HB H 1 1.63 0.01 . 1 . . . . . . . . 4926 1 353 . 1 1 59 59 VAL HG11 H 1 0.55 0.01 . 2 . . . . . . . . 4926 1 354 . 1 1 59 59 VAL HG12 H 1 0.55 0.01 . 2 . . . . . . . . 4926 1 355 . 1 1 59 59 VAL HG13 H 1 0.55 0.01 . 2 . . . . . . . . 4926 1 356 . 1 1 59 59 VAL HG21 H 1 0.69 0.01 . 2 . . . . . . . . 4926 1 357 . 1 1 59 59 VAL HG22 H 1 0.69 0.01 . 2 . . . . . . . . 4926 1 358 . 1 1 59 59 VAL HG23 H 1 0.69 0.01 . 2 . . . . . . . . 4926 1 359 . 1 1 59 59 VAL N N 15 122.1 0.2 . 1 . . . . . . . . 4926 1 360 . 1 1 60 60 ARG H H 1 8.62 0.01 . 1 . . . . . . . . 4926 1 361 . 1 1 60 60 ARG HA H 1 4.62 0.01 . 1 . . . . . . . . 4926 1 362 . 1 1 60 60 ARG HB2 H 1 1.60 0.01 . 2 . . . . . . . . 4926 1 363 . 1 1 60 60 ARG HB3 H 1 1.83 0.01 . 2 . . . . . . . . 4926 1 364 . 1 1 60 60 ARG HG2 H 1 1.29 0.01 . 1 . . . . . . . . 4926 1 365 . 1 1 60 60 ARG HG3 H 1 1.29 0.01 . 1 . . . . . . . . 4926 1 366 . 1 1 60 60 ARG HD2 H 1 3.06 0.01 . 1 . . . . . . . . 4926 1 367 . 1 1 60 60 ARG HD3 H 1 3.06 0.01 . 1 . . . . . . . . 4926 1 368 . 1 1 60 60 ARG N N 15 125.2 0.2 . 1 . . . . . . . . 4926 1 369 . 1 1 61 61 LEU H H 1 9.03 0.01 . 1 . . . . . . . . 4926 1 370 . 1 1 61 61 LEU HA H 1 4.74 0.01 . 1 . . . . . . . . 4926 1 371 . 1 1 61 61 LEU HB2 H 1 1.70 0.01 . 1 . . . . . . . . 4926 1 372 . 1 1 61 61 LEU HB3 H 1 1.70 0.01 . 1 . . . . . . . . 4926 1 373 . 1 1 61 61 LEU HG H 1 1.45 0.01 . 1 . . . . . . . . 4926 1 374 . 1 1 61 61 LEU HD11 H 1 0.61 0.01 . 2 . . . . . . . . 4926 1 375 . 1 1 61 61 LEU HD12 H 1 0.61 0.01 . 2 . . . . . . . . 4926 1 376 . 1 1 61 61 LEU HD13 H 1 0.61 0.01 . 2 . . . . . . . . 4926 1 377 . 1 1 61 61 LEU HD21 H 1 0.96 0.01 . 2 . . . . . . . . 4926 1 378 . 1 1 61 61 LEU HD22 H 1 0.96 0.01 . 2 . . . . . . . . 4926 1 379 . 1 1 61 61 LEU HD23 H 1 0.96 0.01 . 2 . . . . . . . . 4926 1 380 . 1 1 61 61 LEU N N 15 123.5 0.2 . 1 . . . . . . . . 4926 1 381 . 1 1 62 62 PHE H H 1 8.95 0.01 . 1 . . . . . . . . 4926 1 382 . 1 1 62 62 PHE HA H 1 5.58 0.01 . 1 . . . . . . . . 4926 1 383 . 1 1 62 62 PHE HB2 H 1 2.63 0.01 . 2 . . . . . . . . 4926 1 384 . 1 1 62 62 PHE HB3 H 1 2.78 0.01 . 2 . . . . . . . . 4926 1 385 . 1 1 62 62 PHE HD1 H 1 7.17 0.01 . 1 . . . . . . . . 4926 1 386 . 1 1 62 62 PHE HD2 H 1 7.17 0.01 . 1 . . . . . . . . 4926 1 387 . 1 1 62 62 PHE HE1 H 1 7.24 0.01 . 1 . . . . . . . . 4926 1 388 . 1 1 62 62 PHE HE2 H 1 7.24 0.01 . 1 . . . . . . . . 4926 1 389 . 1 1 62 62 PHE HZ H 1 7.28 0.01 . 1 . . . . . . . . 4926 1 390 . 1 1 62 62 PHE N N 15 122.3 0.2 . 1 . . . . . . . . 4926 1 391 . 1 1 63 63 VAL H H 1 8.68 0.01 . 1 . . . . . . . . 4926 1 392 . 1 1 63 63 VAL HA H 1 5.32 0.01 . 1 . . . . . . . . 4926 1 393 . 1 1 63 63 VAL HB H 1 2.06 0.01 . 1 . . . . . . . . 4926 1 394 . 1 1 63 63 VAL HG11 H 1 0.65 0.01 . 2 . . . . . . . . 4926 1 395 . 1 1 63 63 VAL HG12 H 1 0.65 0.01 . 2 . . . . . . . . 4926 1 396 . 1 1 63 63 VAL HG13 H 1 0.65 0.01 . 2 . . . . . . . . 4926 1 397 . 1 1 63 63 VAL HG21 H 1 0.84 0.01 . 2 . . . . . . . . 4926 1 398 . 1 1 63 63 VAL HG22 H 1 0.84 0.01 . 2 . . . . . . . . 4926 1 399 . 1 1 63 63 VAL HG23 H 1 0.84 0.01 . 2 . . . . . . . . 4926 1 400 . 1 1 63 63 VAL N N 15 115.2 0.2 . 1 . . . . . . . . 4926 1 401 . 1 1 64 64 ASP H H 1 8.81 0.01 . 1 . . . . . . . . 4926 1 402 . 1 1 64 64 ASP HA H 1 4.73 0.01 . 1 . . . . . . . . 4926 1 403 . 1 1 64 64 ASP HB2 H 1 2.61 0.01 . 2 . . . . . . . . 4926 1 404 . 1 1 64 64 ASP HB3 H 1 3.42 0.01 . 2 . . . . . . . . 4926 1 405 . 1 1 64 64 ASP N N 15 122.9 0.2 . 1 . . . . . . . . 4926 1 406 . 1 1 65 65 LYS H H 1 8.11 0.01 . 1 . . . . . . . . 4926 1 407 . 1 1 65 65 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 4926 1 408 . 1 1 65 65 LYS HB2 H 1 1.74 0.01 . 2 . . . . . . . . 4926 1 409 . 1 1 65 65 LYS HB3 H 1 1.92 0.01 . 2 . . . . . . . . 4926 1 410 . 1 1 65 65 LYS HG2 H 1 1.52 0.01 . 1 . . . . . . . . 4926 1 411 . 1 1 65 65 LYS HG3 H 1 1.52 0.01 . 1 . . . . . . . . 4926 1 412 . 1 1 65 65 LYS N N 15 115.2 0.2 . 1 . . . . . . . . 4926 1 413 . 1 1 66 66 LEU H H 1 8.11 0.01 . 1 . . . . . . . . 4926 1 414 . 1 1 66 66 LEU HA H 1 4.43 0.01 . 1 . . . . . . . . 4926 1 415 . 1 1 66 66 LEU HB2 H 1 1.78 0.01 . 1 . . . . . . . . 4926 1 416 . 1 1 66 66 LEU HB3 H 1 1.78 0.01 . 1 . . . . . . . . 4926 1 417 . 1 1 66 66 LEU HD11 H 1 0.85 0.01 . 2 . . . . . . . . 4926 1 418 . 1 1 66 66 LEU HD12 H 1 0.85 0.01 . 2 . . . . . . . . 4926 1 419 . 1 1 66 66 LEU HD13 H 1 0.85 0.01 . 2 . . . . . . . . 4926 1 420 . 1 1 66 66 LEU HD21 H 1 0.93 0.01 . 2 . . . . . . . . 4926 1 421 . 1 1 66 66 LEU HD22 H 1 0.93 0.01 . 2 . . . . . . . . 4926 1 422 . 1 1 66 66 LEU HD23 H 1 0.93 0.01 . 2 . . . . . . . . 4926 1 423 . 1 1 66 66 LEU N N 15 120.8 0.2 . 1 . . . . . . . . 4926 1 424 . 1 1 67 67 ASP H H 1 8.11 0.01 . 1 . . . . . . . . 4926 1 425 . 1 1 67 67 ASP HA H 1 4.20 0.01 . 1 . . . . . . . . 4926 1 426 . 1 1 67 67 ASP HB2 H 1 2.90 0.01 . 2 . . . . . . . . 4926 1 427 . 1 1 67 67 ASP HB3 H 1 3.12 0.01 . 2 . . . . . . . . 4926 1 428 . 1 1 67 67 ASP N N 15 114.0 0.2 . 1 . . . . . . . . 4926 1 429 . 1 1 68 68 ASN H H 1 8.17 0.01 . 1 . . . . . . . . 4926 1 430 . 1 1 68 68 ASN HA H 1 5.39 0.01 . 1 . . . . . . . . 4926 1 431 . 1 1 68 68 ASN HB2 H 1 2.01 0.01 . 2 . . . . . . . . 4926 1 432 . 1 1 68 68 ASN HB3 H 1 3.01 0.01 . 2 . . . . . . . . 4926 1 433 . 1 1 68 68 ASN HD21 H 1 6.56 0.01 . 2 . . . . . . . . 4926 1 434 . 1 1 68 68 ASN HD22 H 1 7.88 0.01 . 2 . . . . . . . . 4926 1 435 . 1 1 68 68 ASN N N 15 114.0 0.2 . 1 . . . . . . . . 4926 1 436 . 1 1 69 69 ILE H H 1 9.08 0.01 . 1 . . . . . . . . 4926 1 437 . 1 1 69 69 ILE HA H 1 4.06 0.01 . 1 . . . . . . . . 4926 1 438 . 1 1 69 69 ILE HB H 1 2.57 0.01 . 1 . . . . . . . . 4926 1 439 . 1 1 69 69 ILE HG12 H 1 1.73 0.01 . 1 . . . . . . . . 4926 1 440 . 1 1 69 69 ILE HG13 H 1 1.73 0.01 . 1 . . . . . . . . 4926 1 441 . 1 1 69 69 ILE HG21 H 1 1.17 0.01 . 1 . . . . . . . . 4926 1 442 . 1 1 69 69 ILE HG22 H 1 1.17 0.01 . 1 . . . . . . . . 4926 1 443 . 1 1 69 69 ILE HG23 H 1 1.17 0.01 . 1 . . . . . . . . 4926 1 444 . 1 1 69 69 ILE HD11 H 1 0.70 0.01 . 1 . . . . . . . . 4926 1 445 . 1 1 69 69 ILE HD12 H 1 0.70 0.01 . 1 . . . . . . . . 4926 1 446 . 1 1 69 69 ILE HD13 H 1 0.70 0.01 . 1 . . . . . . . . 4926 1 447 . 1 1 69 69 ILE N N 15 119.3 0.2 . 1 . . . . . . . . 4926 1 448 . 1 1 70 70 ALA H H 1 9.49 0.01 . 1 . . . . . . . . 4926 1 449 . 1 1 70 70 ALA HA H 1 4.64 0.01 . 1 . . . . . . . . 4926 1 450 . 1 1 70 70 ALA HB1 H 1 1.42 0.01 . 1 . . . . . . . . 4926 1 451 . 1 1 70 70 ALA HB2 H 1 1.42 0.01 . 1 . . . . . . . . 4926 1 452 . 1 1 70 70 ALA HB3 H 1 1.42 0.01 . 1 . . . . . . . . 4926 1 453 . 1 1 70 70 ALA N N 15 131.2 0.2 . 1 . . . . . . . . 4926 1 454 . 1 1 71 71 GLN H H 1 7.28 0.01 . 1 . . . . . . . . 4926 1 455 . 1 1 71 71 GLN HA H 1 4.72 0.01 . 1 . . . . . . . . 4926 1 456 . 1 1 71 71 GLN HB2 H 1 1.91 0.01 . 2 . . . . . . . . 4926 1 457 . 1 1 71 71 GLN HB3 H 1 2.13 0.01 . 2 . . . . . . . . 4926 1 458 . 1 1 71 71 GLN HG2 H 1 2.26 0.01 . 1 . . . . . . . . 4926 1 459 . 1 1 71 71 GLN HG3 H 1 2.26 0.01 . 1 . . . . . . . . 4926 1 460 . 1 1 71 71 GLN HE21 H 1 6.45 0.01 . 2 . . . . . . . . 4926 1 461 . 1 1 71 71 GLN HE22 H 1 7.25 0.01 . 2 . . . . . . . . 4926 1 462 . 1 1 71 71 GLN N N 15 113.5 0.2 . 1 . . . . . . . . 4926 1 463 . 1 1 72 72 VAL H H 1 8.84 0.01 . 1 . . . . . . . . 4926 1 464 . 1 1 72 72 VAL HA H 1 3.61 0.01 . 1 . . . . . . . . 4926 1 465 . 1 1 72 72 VAL HB H 1 2.09 0.01 . 1 . . . . . . . . 4926 1 466 . 1 1 72 72 VAL HG11 H 1 0.86 0.01 . 2 . . . . . . . . 4926 1 467 . 1 1 72 72 VAL HG12 H 1 0.86 0.01 . 2 . . . . . . . . 4926 1 468 . 1 1 72 72 VAL HG13 H 1 0.86 0.01 . 2 . . . . . . . . 4926 1 469 . 1 1 72 72 VAL HG21 H 1 1.17 0.01 . 2 . . . . . . . . 4926 1 470 . 1 1 72 72 VAL HG22 H 1 1.17 0.01 . 2 . . . . . . . . 4926 1 471 . 1 1 72 72 VAL HG23 H 1 1.17 0.01 . 2 . . . . . . . . 4926 1 472 . 1 1 72 72 VAL N N 15 125.0 0.2 . 1 . . . . . . . . 4926 1 473 . 1 1 74 74 ARG H H 1 9.22 0.01 . 1 . . . . . . . . 4926 1 474 . 1 1 74 74 ARG HA H 1 5.68 0.01 . 1 . . . . . . . . 4926 1 475 . 1 1 74 74 ARG HB2 H 1 2.07 0.01 . 1 . . . . . . . . 4926 1 476 . 1 1 74 74 ARG HB3 H 1 2.07 0.01 . 1 . . . . . . . . 4926 1 477 . 1 1 74 74 ARG HG2 H 1 1.85 0.01 . 2 . . . . . . . . 4926 1 478 . 1 1 74 74 ARG HG3 H 1 1.97 0.01 . 2 . . . . . . . . 4926 1 479 . 1 1 74 74 ARG HD2 H 1 3.34 0.01 . 1 . . . . . . . . 4926 1 480 . 1 1 74 74 ARG HD3 H 1 3.34 0.01 . 1 . . . . . . . . 4926 1 481 . 1 1 74 74 ARG N N 15 122.8 0.2 . 1 . . . . . . . . 4926 1 482 . 1 1 75 75 VAL H H 1 8.43 0.01 . 1 . . . . . . . . 4926 1 483 . 1 1 75 75 VAL HA H 1 4.77 0.01 . 1 . . . . . . . . 4926 1 484 . 1 1 75 75 VAL HB H 1 2.22 0.01 . 1 . . . . . . . . 4926 1 485 . 1 1 75 75 VAL HG11 H 1 1.16 0.01 . 2 . . . . . . . . 4926 1 486 . 1 1 75 75 VAL HG12 H 1 1.16 0.01 . 2 . . . . . . . . 4926 1 487 . 1 1 75 75 VAL HG13 H 1 1.16 0.01 . 2 . . . . . . . . 4926 1 488 . 1 1 75 75 VAL HG21 H 1 1.26 0.01 . 2 . . . . . . . . 4926 1 489 . 1 1 75 75 VAL HG22 H 1 1.26 0.01 . 2 . . . . . . . . 4926 1 490 . 1 1 75 75 VAL HG23 H 1 1.26 0.01 . 2 . . . . . . . . 4926 1 491 . 1 1 75 75 VAL N N 15 121.0 0.2 . 1 . . . . . . . . 4926 1 492 . 1 1 76 76 GLY H H 1 8.61 0.01 . 1 . . . . . . . . 4926 1 493 . 1 1 76 76 GLY HA2 H 1 3.01 0.01 . 2 . . . . . . . . 4926 1 494 . 1 1 76 76 GLY HA3 H 1 4.24 0.01 . 2 . . . . . . . . 4926 1 495 . 1 1 76 76 GLY N N 15 120.8 0.2 . 1 . . . . . . . . 4926 1 stop_ save_ save_shift_set_300K _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_300K _Assigned_chem_shift_list.Entry_ID 4926 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_2 _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 $sample_1 . 4926 2 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 LYS H H 1 8.74 0.01 . 1 . . . . . . . . 4926 2 2 . 1 1 1 1 LYS N N 15 127.1 0.2 . 1 . . . . . . . . 4926 2 3 . 1 1 2 2 THR H H 1 8.52 0.01 . 1 . . . . . . . . 4926 2 4 . 1 1 2 2 THR N N 15 110.3 0.2 . 1 . . . . . . . . 4926 2 5 . 1 1 3 3 GLU H H 1 6.70 0.01 . 1 . . . . . . . . 4926 2 6 . 1 1 3 3 GLU N N 15 116.5 0.2 . 1 . . . . . . . . 4926 2 7 . 1 1 4 4 TRP H H 1 8.23 0.01 . 1 . . . . . . . . 4926 2 8 . 1 1 4 4 TRP N N 15 118.5 0.2 . 1 . . . . . . . . 4926 2 9 . 1 1 6 6 GLU H H 1 10.76 0.01 . 1 . . . . . . . . 4926 2 10 . 1 1 6 6 GLU N N 15 120.0 0.2 . 1 . . . . . . . . 4926 2 11 . 1 1 7 7 LEU H H 1 7.86 0.01 . 1 . . . . . . . . 4926 2 12 . 1 1 7 7 LEU N N 15 118.7 0.2 . 1 . . . . . . . . 4926 2 13 . 1 1 8 8 VAL H H 1 7.12 0.01 . 1 . . . . . . . . 4926 2 14 . 1 1 8 8 VAL N N 15 119.1 0.2 . 1 . . . . . . . . 4926 2 15 . 1 1 9 9 GLY H H 1 9.07 0.01 . 1 . . . . . . . . 4926 2 16 . 1 1 9 9 GLY N N 15 116.2 0.2 . 1 . . . . . . . . 4926 2 17 . 1 1 10 10 LYS H H 1 7.78 0.01 . 1 . . . . . . . . 4926 2 18 . 1 1 10 10 LYS N N 15 118.9 0.2 . 1 . . . . . . . . 4926 2 19 . 1 1 11 11 SER H H 1 8.59 0.01 . 1 . . . . . . . . 4926 2 20 . 1 1 11 11 SER N N 15 115.6 0.2 . 1 . . . . . . . . 4926 2 21 . 1 1 12 12 VAL H H 1 8.38 0.01 . 1 . . . . . . . . 4926 2 22 . 1 1 12 12 VAL N N 15 122.8 0.2 . 1 . . . . . . . . 4926 2 23 . 1 1 13 13 GLU H H 1 8.37 0.01 . 1 . . . . . . . . 4926 2 24 . 1 1 13 13 GLU N N 15 118.8 0.2 . 1 . . . . . . . . 4926 2 25 . 1 1 14 14 GLU H H 1 7.61 0.01 . 1 . . . . . . . . 4926 2 26 . 1 1 14 14 GLU N N 15 120.3 0.2 . 1 . . . . . . . . 4926 2 27 . 1 1 15 15 ALA H H 1 8.44 0.01 . 1 . . . . . . . . 4926 2 28 . 1 1 15 15 ALA N N 15 120.1 0.2 . 1 . . . . . . . . 4926 2 29 . 1 1 16 16 LYS H H 1 8.44 0.01 . 1 . . . . . . . . 4926 2 30 . 1 1 16 16 LYS N N 15 115.8 0.2 . 1 . . . . . . . . 4926 2 31 . 1 1 17 17 LYS H H 1 6.94 0.01 . 1 . . . . . . . . 4926 2 32 . 1 1 17 17 LYS N N 15 115.4 0.2 . 1 . . . . . . . . 4926 2 33 . 1 1 18 18 VAL H H 1 7.48 0.01 . 1 . . . . . . . . 4926 2 34 . 1 1 18 18 VAL N N 15 119.3 0.2 . 1 . . . . . . . . 4926 2 35 . 1 1 19 19 ILE H H 1 8.10 0.01 . 1 . . . . . . . . 4926 2 36 . 1 1 19 19 ILE N N 15 119.5 0.2 . 1 . . . . . . . . 4926 2 37 . 1 1 20 20 LEU H H 1 7.88 0.01 . 1 . . . . . . . . 4926 2 38 . 1 1 20 20 LEU N N 15 115.9 0.2 . 1 . . . . . . . . 4926 2 39 . 1 1 21 21 GLN H H 1 7.31 0.01 . 1 . . . . . . . . 4926 2 40 . 1 1 21 21 GLN N N 15 118.0 0.2 . 1 . . . . . . . . 4926 2 41 . 1 1 22 22 ASP H H 1 7.62 0.01 . 1 . . . . . . . . 4926 2 42 . 1 1 22 22 ASP N N 15 118.5 0.2 . 1 . . . . . . . . 4926 2 43 . 1 1 23 23 LYS H H 1 9.11 0.01 . 1 . . . . . . . . 4926 2 44 . 1 1 23 23 LYS N N 15 123.7 0.2 . 1 . . . . . . . . 4926 2 45 . 1 1 25 25 GLU H H 1 9.54 0.01 . 1 . . . . . . . . 4926 2 46 . 1 1 25 25 GLU N N 15 118.0 0.2 . 1 . . . . . . . . 4926 2 47 . 1 1 26 26 ALA H H 1 8.02 0.01 . 1 . . . . . . . . 4926 2 48 . 1 1 26 26 ALA N N 15 123.3 0.2 . 1 . . . . . . . . 4926 2 49 . 1 1 27 27 GLN H H 1 8.90 0.01 . 1 . . . . . . . . 4926 2 50 . 1 1 27 27 GLN N N 15 123.4 0.2 . 1 . . . . . . . . 4926 2 51 . 1 1 28 28 ILE H H 1 8.30 0.01 . 1 . . . . . . . . 4926 2 52 . 1 1 28 28 ILE N N 15 126.0 0.2 . 1 . . . . . . . . 4926 2 53 . 1 1 29 29 ILE H H 1 7.95 0.01 . 1 . . . . . . . . 4926 2 54 . 1 1 29 29 ILE N N 15 129.2 0.2 . 1 . . . . . . . . 4926 2 55 . 1 1 30 30 VAL H H 1 8.47 0.01 . 1 . . . . . . . . 4926 2 56 . 1 1 30 30 VAL N N 15 128.3 0.2 . 1 . . . . . . . . 4926 2 57 . 1 1 31 31 LEU H H 1 9.12 0.01 . 1 . . . . . . . . 4926 2 58 . 1 1 31 31 LEU N N 15 130.5 0.2 . 1 . . . . . . . . 4926 2 59 . 1 1 33 33 VAL H H 1 8.77 0.01 . 1 . . . . . . . . 4926 2 60 . 1 1 33 33 VAL N N 15 123.7 0.2 . 1 . . . . . . . . 4926 2 61 . 1 1 34 34 GLY H H 1 8.64 0.01 . 1 . . . . . . . . 4926 2 62 . 1 1 34 34 GLY N N 15 112.9 0.2 . 1 . . . . . . . . 4926 2 63 . 1 1 35 35 THR H H 1 7.85 0.01 . 1 . . . . . . . . 4926 2 64 . 1 1 35 35 THR N N 15 114.6 0.2 . 1 . . . . . . . . 4926 2 65 . 1 1 36 36 ILE H H 1 8.16 0.01 . 1 . . . . . . . . 4926 2 66 . 1 1 36 36 ILE N N 15 124.2 0.2 . 1 . . . . . . . . 4926 2 67 . 1 1 37 37 VAL H H 1 8.14 0.01 . 1 . . . . . . . . 4926 2 68 . 1 1 37 37 VAL N N 15 123.7 0.2 . 2 . . . . . . . . 4926 2 69 . 1 1 38 38 THR H H 1 8.03 0.01 . 1 . . . . . . . . 4926 2 70 . 1 1 38 38 THR N N 15 117.1 0.2 . 1 . . . . . . . . 4926 2 71 . 1 1 39 39 MET H H 1 8.37 0.01 . 1 . . . . . . . . 4926 2 72 . 1 1 39 39 MET N N 15 122.7 0.2 . 1 . . . . . . . . 4926 2 73 . 1 1 40 40 GLY H H 1 8.52 0.01 . 1 . . . . . . . . 4926 2 74 . 1 1 40 40 GLY N N 15 110.3 0.2 . 1 . . . . . . . . 4926 2 75 . 1 1 41 41 GLN H H 1 8.25 0.01 . 1 . . . . . . . . 4926 2 76 . 1 1 41 41 GLN N N 15 120.0 0.2 . 1 . . . . . . . . 4926 2 77 . 1 1 51 51 GLY H H 1 8.41 0.01 . 1 . . . . . . . . 4926 2 78 . 1 1 51 51 GLY N N 15 109.8 0.2 . 1 . . . . . . . . 4926 2 79 . 1 1 52 52 MET H H 1 8.37 0.01 . 1 . . . . . . . . 4926 2 80 . 1 1 52 52 MET N N 15 122.7 0.2 . 1 . . . . . . . . 4926 2 81 . 1 1 53 53 GLU H H 1 8.53 0.01 . 1 . . . . . . . . 4926 2 82 . 1 1 53 53 GLU N N 15 122.5 0.2 . 1 . . . . . . . . 4926 2 83 . 1 1 54 54 TYR H H 1 8.23 0.01 . 1 . . . . . . . . 4926 2 84 . 1 1 54 54 TYR N N 15 123.7 0.2 . 1 . . . . . . . . 4926 2 85 . 1 1 55 55 ARG H H 1 8.69 0.01 . 1 . . . . . . . . 4926 2 86 . 1 1 55 55 ARG N N 15 129.9 0.2 . 1 . . . . . . . . 4926 2 87 . 1 1 56 56 ILE H H 1 8.06 0.01 . 1 . . . . . . . . 4926 2 88 . 1 1 56 56 ILE N N 15 121.5 0.2 . 1 . . . . . . . . 4926 2 89 . 1 1 57 57 ASP H H 1 8.39 0.01 . 1 . . . . . . . . 4926 2 90 . 1 1 57 57 ASP N N 15 116.4 0.2 . 1 . . . . . . . . 4926 2 91 . 1 1 58 58 ARG H H 1 7.31 0.01 . 1 . . . . . . . . 4926 2 92 . 1 1 58 58 ARG N N 15 123.1 0.2 . 1 . . . . . . . . 4926 2 93 . 1 1 59 59 VAL H H 1 8.12 0.01 . 1 . . . . . . . . 4926 2 94 . 1 1 59 59 VAL N N 15 122.7 0.2 . 1 . . . . . . . . 4926 2 95 . 1 1 60 60 ARG H H 1 8.69 0.01 . 1 . . . . . . . . 4926 2 96 . 1 1 60 60 ARG N N 15 126.1 0.2 . 1 . . . . . . . . 4926 2 97 . 1 1 61 61 LEU H H 1 9.03 0.01 . 1 . . . . . . . . 4926 2 98 . 1 1 61 61 LEU N N 15 124.0 0.2 . 1 . . . . . . . . 4926 2 99 . 1 1 62 62 PHE H H 1 9.01 0.01 . 1 . . . . . . . . 4926 2 100 . 1 1 62 62 PHE N N 15 123.0 0.2 . 1 . . . . . . . . 4926 2 101 . 1 1 63 63 VAL H H 1 8.70 0.01 . 1 . . . . . . . . 4926 2 102 . 1 1 63 63 VAL N N 15 115.6 0.2 . 1 . . . . . . . . 4926 2 103 . 1 1 64 64 ASP H H 1 8.83 0.01 . 1 . . . . . . . . 4926 2 104 . 1 1 64 64 ASP N N 15 123.6 0.2 . 1 . . . . . . . . 4926 2 105 . 1 1 65 65 LYS H H 1 8.19 0.01 . 1 . . . . . . . . 4926 2 106 . 1 1 65 65 LYS N N 15 115.9 0.2 . 1 . . . . . . . . 4926 2 107 . 1 1 66 66 LEU H H 1 8.10 0.01 . 1 . . . . . . . . 4926 2 108 . 1 1 66 66 LEU N N 15 121.5 0.2 . 1 . . . . . . . . 4926 2 109 . 1 1 67 67 ASP H H 1 8.13 0.01 . 1 . . . . . . . . 4926 2 110 . 1 1 67 67 ASP N N 15 114.7 0.2 . 1 . . . . . . . . 4926 2 111 . 1 1 68 68 ASN H H 1 8.14 0.01 . 1 . . . . . . . . 4926 2 112 . 1 1 68 68 ASN N N 15 114.6 0.2 . 1 . . . . . . . . 4926 2 113 . 1 1 69 69 ILE H H 1 9.13 0.01 . 1 . . . . . . . . 4926 2 114 . 1 1 69 69 ILE N N 15 119.9 0.2 . 1 . . . . . . . . 4926 2 115 . 1 1 70 70 ALA H H 1 9.55 0.01 . 1 . . . . . . . . 4926 2 116 . 1 1 70 70 ALA N N 15 132.1 0.2 . 1 . . . . . . . . 4926 2 117 . 1 1 71 71 GLN H H 1 7.28 0.01 . 1 . . . . . . . . 4926 2 118 . 1 1 71 71 GLN N N 15 114.2 0.2 . 1 . . . . . . . . 4926 2 119 . 1 1 72 72 VAL H H 1 8.90 0.01 . 1 . . . . . . . . 4926 2 120 . 1 1 72 72 VAL N N 15 125.8 0.2 . 1 . . . . . . . . 4926 2 121 . 1 1 74 74 ARG H H 1 9.30 0.01 . 1 . . . . . . . . 4926 2 122 . 1 1 74 74 ARG N N 15 123.6 0.2 . 1 . . . . . . . . 4926 2 123 . 1 1 75 75 VAL H H 1 8.51 0.01 . 1 . . . . . . . . 4926 2 124 . 1 1 75 75 VAL N N 15 121.8 0.2 . 1 . . . . . . . . 4926 2 125 . 1 1 76 76 GLY H H 1 8.62 0.01 . 1 . . . . . . . . 4926 2 126 . 1 1 76 76 GLY N N 15 121.5 0.2 . 1 . . . . . . . . 4926 2 stop_ save_