data_4478 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4478 _Entry.Title ; PKD domain 1 from Human polycystein-1 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1998-12-30 _Entry.Accession_date 1999-12-06 _Entry.Last_release_date 2000-05-25 _Entry.Original_release_date 2000-05-25 _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 M. Bycroft . . . 4478 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4478 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 520 4478 '13C chemical shifts' 176 4478 '15N chemical shifts' 80 4478 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 . . 2000-05-25 1998-12-30 original author . 4478 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4478 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99107746 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The Structure of a PKD Domain from Polycystin-1: Implications for Polycystic Kidney Diseas ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 18 _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 297 _Citation.Page_last 305 _Citation.Year 1999 _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 M. Bycroft . . . 4478 1 2 A. Bateman . . . 4478 1 3 J. Clarke . . . 4478 1 4 S. Hamill . J. . 4478 1 5 R. Sandford . . . 4478 1 6 R. Thomas . L. . 4478 1 7 C. Chothia . . . 4478 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PKD1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PKD1 _Assembly.Entry_ID 4478 _Assembly.ID 1 _Assembly.Name 'PKD1 HUMAN' _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 4478 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 'PKD1 HUMAN' 1 $PKD1 . . . native . . . . . 4478 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1B4R . 'A Chain A, Pkd Domain 1 From Human Polycystein-1' . . . . 4478 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'PKD1 HUMAN' system 4478 1 'PKD1 HUMAN' abbreviation 4478 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PKD1 _Entity.Sf_category entity _Entity.Sf_framecode PKD1 _Entity.Entry_ID 4478 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PKD1 HUMAN' _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 ; GSVFPASPGATLVGPHGPLA SGQLAAFHIAAPLPVTATRW DFGDGSAEVDAAGPAASHRY VLPGRYHVTAVLALGAGSAL LGTDVQVEAAP ; _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 91 _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1B4R . "Pkd Domain 1 From Human Polycystein-1" . . . . . 86.81 80 100.00 100.00 1.35e-45 . . . . 4478 1 2 no GB AAB59488 . "polycystic kidney disease-associated protein [Homo sapiens]" . . . . . 91.21 3638 100.00 100.00 1.82e-43 . . . . 4478 1 3 no REF XP_003804194 . "PREDICTED: polycystin-1-like, partial [Pan paniscus]" . . . . . 97.80 587 97.75 98.88 1.63e-47 . . . . 4478 1 4 no REF XP_009439072 . "PREDICTED: polycystin-1 [Pan troglodytes]" . . . . . 97.80 546 97.75 97.75 2.19e-47 . . . . 4478 1 5 no REF XP_011521097 . "PREDICTED: polycystin-1-like [Homo sapiens]" . . . . . 97.80 471 97.75 97.75 1.03e-47 . . . . 4478 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PKD1 HUMAN' common 4478 1 none variant 4478 1 'PKD1 HUMAN' abbreviation 4478 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 . GLY . 4478 1 2 . SER . 4478 1 3 . VAL . 4478 1 4 . PHE . 4478 1 5 . PRO . 4478 1 6 . ALA . 4478 1 7 . SER . 4478 1 8 . PRO . 4478 1 9 . GLY . 4478 1 10 . ALA . 4478 1 11 . THR . 4478 1 12 . LEU . 4478 1 13 . VAL . 4478 1 14 . GLY . 4478 1 15 . PRO . 4478 1 16 . HIS . 4478 1 17 . GLY . 4478 1 18 . PRO . 4478 1 19 . LEU . 4478 1 20 . ALA . 4478 1 21 . SER . 4478 1 22 . GLY . 4478 1 23 . GLN . 4478 1 24 . LEU . 4478 1 25 . ALA . 4478 1 26 . ALA . 4478 1 27 . PHE . 4478 1 28 . HIS . 4478 1 29 . ILE . 4478 1 30 . ALA . 4478 1 31 . ALA . 4478 1 32 . PRO . 4478 1 33 . LEU . 4478 1 34 . PRO . 4478 1 35 . VAL . 4478 1 36 . THR . 4478 1 37 . ALA . 4478 1 38 . THR . 4478 1 39 . ARG . 4478 1 40 . TRP . 4478 1 41 . ASP . 4478 1 42 . PHE . 4478 1 43 . GLY . 4478 1 44 . ASP . 4478 1 45 . GLY . 4478 1 46 . SER . 4478 1 47 . ALA . 4478 1 48 . GLU . 4478 1 49 . VAL . 4478 1 50 . ASP . 4478 1 51 . ALA . 4478 1 52 . ALA . 4478 1 53 . GLY . 4478 1 54 . PRO . 4478 1 55 . ALA . 4478 1 56 . ALA . 4478 1 57 . SER . 4478 1 58 . HIS . 4478 1 59 . ARG . 4478 1 60 . TYR . 4478 1 61 . VAL . 4478 1 62 . LEU . 4478 1 63 . PRO . 4478 1 64 . GLY . 4478 1 65 . ARG . 4478 1 66 . TYR . 4478 1 67 . HIS . 4478 1 68 . VAL . 4478 1 69 . THR . 4478 1 70 . ALA . 4478 1 71 . VAL . 4478 1 72 . LEU . 4478 1 73 . ALA . 4478 1 74 . LEU . 4478 1 75 . GLY . 4478 1 76 . ALA . 4478 1 77 . GLY . 4478 1 78 . SER . 4478 1 79 . ALA . 4478 1 80 . LEU . 4478 1 81 . LEU . 4478 1 82 . GLY . 4478 1 83 . THR . 4478 1 84 . ASP . 4478 1 85 . VAL . 4478 1 86 . GLN . 4478 1 87 . VAL . 4478 1 88 . GLU . 4478 1 89 . ALA . 4478 1 90 . ALA . 4478 1 91 . PRO . 4478 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4478 1 . SER 2 2 4478 1 . VAL 3 3 4478 1 . PHE 4 4 4478 1 . PRO 5 5 4478 1 . ALA 6 6 4478 1 . SER 7 7 4478 1 . PRO 8 8 4478 1 . GLY 9 9 4478 1 . ALA 10 10 4478 1 . THR 11 11 4478 1 . LEU 12 12 4478 1 . VAL 13 13 4478 1 . GLY 14 14 4478 1 . PRO 15 15 4478 1 . HIS 16 16 4478 1 . GLY 17 17 4478 1 . PRO 18 18 4478 1 . LEU 19 19 4478 1 . ALA 20 20 4478 1 . SER 21 21 4478 1 . GLY 22 22 4478 1 . GLN 23 23 4478 1 . LEU 24 24 4478 1 . ALA 25 25 4478 1 . ALA 26 26 4478 1 . PHE 27 27 4478 1 . HIS 28 28 4478 1 . ILE 29 29 4478 1 . ALA 30 30 4478 1 . ALA 31 31 4478 1 . PRO 32 32 4478 1 . LEU 33 33 4478 1 . PRO 34 34 4478 1 . VAL 35 35 4478 1 . THR 36 36 4478 1 . ALA 37 37 4478 1 . THR 38 38 4478 1 . ARG 39 39 4478 1 . TRP 40 40 4478 1 . ASP 41 41 4478 1 . PHE 42 42 4478 1 . GLY 43 43 4478 1 . ASP 44 44 4478 1 . GLY 45 45 4478 1 . SER 46 46 4478 1 . ALA 47 47 4478 1 . GLU 48 48 4478 1 . VAL 49 49 4478 1 . ASP 50 50 4478 1 . ALA 51 51 4478 1 . ALA 52 52 4478 1 . GLY 53 53 4478 1 . PRO 54 54 4478 1 . ALA 55 55 4478 1 . ALA 56 56 4478 1 . SER 57 57 4478 1 . HIS 58 58 4478 1 . ARG 59 59 4478 1 . TYR 60 60 4478 1 . VAL 61 61 4478 1 . LEU 62 62 4478 1 . PRO 63 63 4478 1 . GLY 64 64 4478 1 . ARG 65 65 4478 1 . TYR 66 66 4478 1 . HIS 67 67 4478 1 . VAL 68 68 4478 1 . THR 69 69 4478 1 . ALA 70 70 4478 1 . VAL 71 71 4478 1 . LEU 72 72 4478 1 . ALA 73 73 4478 1 . LEU 74 74 4478 1 . GLY 75 75 4478 1 . ALA 76 76 4478 1 . GLY 77 77 4478 1 . SER 78 78 4478 1 . ALA 79 79 4478 1 . LEU 80 80 4478 1 . LEU 81 81 4478 1 . GLY 82 82 4478 1 . THR 83 83 4478 1 . ASP 84 84 4478 1 . VAL 85 85 4478 1 . GLN 86 86 4478 1 . VAL 87 87 4478 1 . GLU 88 88 4478 1 . ALA 89 89 4478 1 . ALA 90 90 4478 1 . PRO 91 91 4478 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 4478 _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 $PKD1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4478 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 4478 _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 $PKD1 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . . . . . . . . 4478 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4478 _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 'PKD1 HUMAN' '[U-13C; U-15N]' . . 1 $PKD1 . . . 1 3 mM . . . . 4478 1 2 'acetate buffer' [U-2H] . . . . . . . . . mM . . . . 4478 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4478 _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 3.0 . n/a 4478 1 temperature 298 . K 4478 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4478 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4478 _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 Bruker AMX . 500 . . . 4478 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 4478 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_ref _Chem_shift_reference.Entry_ID 4478 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4478 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_ref _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 . 4478 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 3 3 VAL H H 1 8.05 . . 1 . . . . . . . . 4478 1 2 . 1 1 3 3 VAL HA H 1 3.98 . . 1 . . . . . . . . 4478 1 3 . 1 1 3 3 VAL HB H 1 1.84 . . 1 . . . . . . . . 4478 1 4 . 1 1 3 3 VAL HG11 H 1 0.70 . . 1 . . . . . . . . 4478 1 5 . 1 1 3 3 VAL HG12 H 1 0.70 . . 1 . . . . . . . . 4478 1 6 . 1 1 3 3 VAL HG13 H 1 0.70 . . 1 . . . . . . . . 4478 1 7 . 1 1 3 3 VAL HG21 H 1 0.70 . . 1 . . . . . . . . 4478 1 8 . 1 1 3 3 VAL HG22 H 1 0.70 . . 1 . . . . . . . . 4478 1 9 . 1 1 3 3 VAL HG23 H 1 0.70 . . 1 . . . . . . . . 4478 1 10 . 1 1 3 3 VAL CA C 13 59.3 . . 1 . . . . . . . . 4478 1 11 . 1 1 3 3 VAL CB C 13 30.0 . . 1 . . . . . . . . 4478 1 12 . 1 1 3 3 VAL N N 15 121.5 . . 1 . . . . . . . . 4478 1 13 . 1 1 4 4 PHE H H 1 8.26 . . 1 . . . . . . . . 4478 1 14 . 1 1 4 4 PHE HA H 1 4.81 . . 1 . . . . . . . . 4478 1 15 . 1 1 4 4 PHE HB2 H 1 3.04 . . 2 . . . . . . . . 4478 1 16 . 1 1 4 4 PHE HB3 H 1 2.77 . . 2 . . . . . . . . 4478 1 17 . 1 1 4 4 PHE N N 15 125.0 . . 1 . . . . . . . . 4478 1 18 . 1 1 5 5 PRO HA H 1 4.31 . . 1 . . . . . . . . 4478 1 19 . 1 1 5 5 PRO HB2 H 1 2.15 . . 1 . . . . . . . . 4478 1 20 . 1 1 5 5 PRO HB3 H 1 2.15 . . 1 . . . . . . . . 4478 1 21 . 1 1 5 5 PRO CA C 13 60.3 . . 1 . . . . . . . . 4478 1 22 . 1 1 5 5 PRO CB C 13 29.3 . . 1 . . . . . . . . 4478 1 23 . 1 1 6 6 ALA H H 1 8.21 . . 1 . . . . . . . . 4478 1 24 . 1 1 6 6 ALA HA H 1 4.23 . . 1 . . . . . . . . 4478 1 25 . 1 1 6 6 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4478 1 26 . 1 1 6 6 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4478 1 27 . 1 1 6 6 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4478 1 28 . 1 1 6 6 ALA CA C 13 49.6 . . 1 . . . . . . . . 4478 1 29 . 1 1 6 6 ALA CB C 13 16.6 . . 1 . . . . . . . . 4478 1 30 . 1 1 6 6 ALA N N 15 124.1 . . 1 . . . . . . . . 4478 1 31 . 1 1 7 7 SER H H 1 8.18 . . 1 . . . . . . . . 4478 1 32 . 1 1 7 7 SER HA H 1 4.65 . . 1 . . . . . . . . 4478 1 33 . 1 1 7 7 SER HB2 H 1 3.72 . . 1 . . . . . . . . 4478 1 34 . 1 1 7 7 SER HB3 H 1 3.72 . . 1 . . . . . . . . 4478 1 35 . 1 1 7 7 SER N N 15 115.9 . . 1 . . . . . . . . 4478 1 36 . 1 1 8 8 PRO HA H 1 4.33 . . 1 . . . . . . . . 4478 1 37 . 1 1 8 8 PRO HB2 H 1 2.15 . . 2 . . . . . . . . 4478 1 38 . 1 1 8 8 PRO HB3 H 1 1.80 . . 2 . . . . . . . . 4478 1 39 . 1 1 9 9 GLY H H 1 8.20 . . 1 . . . . . . . . 4478 1 40 . 1 1 9 9 GLY HA2 H 1 3.78 . . 1 . . . . . . . . 4478 1 41 . 1 1 9 9 GLY HA3 H 1 3.78 . . 1 . . . . . . . . 4478 1 42 . 1 1 9 9 GLY CA C 13 42.4 . . 1 . . . . . . . . 4478 1 43 . 1 1 9 9 GLY N N 15 108.1 . . 1 . . . . . . . . 4478 1 44 . 1 1 10 10 ALA H H 1 7.82 . . 1 . . . . . . . . 4478 1 45 . 1 1 10 10 ALA HA H 1 4.97 . . 1 . . . . . . . . 4478 1 46 . 1 1 10 10 ALA HB1 H 1 1.13 . . 1 . . . . . . . . 4478 1 47 . 1 1 10 10 ALA HB2 H 1 1.13 . . 1 . . . . . . . . 4478 1 48 . 1 1 10 10 ALA HB3 H 1 1.13 . . 1 . . . . . . . . 4478 1 49 . 1 1 10 10 ALA CA C 13 48.7 . . 1 . . . . . . . . 4478 1 50 . 1 1 10 10 ALA CB C 13 18.3 . . 1 . . . . . . . . 4478 1 51 . 1 1 10 10 ALA N N 15 121.9 . . 1 . . . . . . . . 4478 1 52 . 1 1 11 11 THR H H 1 8.72 . . 1 . . . . . . . . 4478 1 53 . 1 1 11 11 THR HA H 1 4.45 . . 1 . . . . . . . . 4478 1 54 . 1 1 11 11 THR HB H 1 3.87 . . 1 . . . . . . . . 4478 1 55 . 1 1 11 11 THR HG21 H 1 1.08 . . 1 . . . . . . . . 4478 1 56 . 1 1 11 11 THR HG22 H 1 1.08 . . 1 . . . . . . . . 4478 1 57 . 1 1 11 11 THR HG23 H 1 1.08 . . 1 . . . . . . . . 4478 1 58 . 1 1 11 11 THR CA C 13 58.3 . . 1 . . . . . . . . 4478 1 59 . 1 1 11 11 THR CB C 13 69.6 . . 1 . . . . . . . . 4478 1 60 . 1 1 11 11 THR CG2 C 13 19.2 . . 1 . . . . . . . . 4478 1 61 . 1 1 11 11 THR N N 15 113.9 . . 1 . . . . . . . . 4478 1 62 . 1 1 12 12 LEU H H 1 8.73 . . 1 . . . . . . . . 4478 1 63 . 1 1 12 12 LEU HA H 1 4.53 . . 1 . . . . . . . . 4478 1 64 . 1 1 12 12 LEU HB2 H 1 1.14 . . 1 . . . . . . . . 4478 1 65 . 1 1 12 12 LEU HB3 H 1 1.60 . . 1 . . . . . . . . 4478 1 66 . 1 1 12 12 LEU HG H 1 1.35 . . 1 . . . . . . . . 4478 1 67 . 1 1 12 12 LEU HD11 H 1 0.50 . . 1 . . . . . . . . 4478 1 68 . 1 1 12 12 LEU HD12 H 1 0.50 . . 1 . . . . . . . . 4478 1 69 . 1 1 12 12 LEU HD13 H 1 0.50 . . 1 . . . . . . . . 4478 1 70 . 1 1 12 12 LEU HD21 H 1 0.64 . . 1 . . . . . . . . 4478 1 71 . 1 1 12 12 LEU HD22 H 1 0.64 . . 1 . . . . . . . . 4478 1 72 . 1 1 12 12 LEU HD23 H 1 0.64 . . 1 . . . . . . . . 4478 1 73 . 1 1 12 12 LEU CG C 13 24.2 . . 1 . . . . . . . . 4478 1 74 . 1 1 12 12 LEU CD1 C 13 24.4 . . 1 . . . . . . . . 4478 1 75 . 1 1 12 12 LEU CD2 C 13 22.9 . . 1 . . . . . . . . 4478 1 76 . 1 1 12 12 LEU N N 15 127.2 . . 1 . . . . . . . . 4478 1 77 . 1 1 13 13 VAL H H 1 9.02 . . 1 . . . . . . . . 4478 1 78 . 1 1 13 13 VAL HA H 1 4.06 . . 1 . . . . . . . . 4478 1 79 . 1 1 13 13 VAL HB H 1 1.22 . . 1 . . . . . . . . 4478 1 80 . 1 1 13 13 VAL HG11 H 1 0.88 . . 2 . . . . . . . . 4478 1 81 . 1 1 13 13 VAL HG12 H 1 0.88 . . 2 . . . . . . . . 4478 1 82 . 1 1 13 13 VAL HG13 H 1 0.88 . . 2 . . . . . . . . 4478 1 83 . 1 1 13 13 VAL HG21 H 1 0.71 . . 2 . . . . . . . . 4478 1 84 . 1 1 13 13 VAL HG22 H 1 0.71 . . 2 . . . . . . . . 4478 1 85 . 1 1 13 13 VAL HG23 H 1 0.71 . . 2 . . . . . . . . 4478 1 86 . 1 1 13 13 VAL CA C 13 59.8 . . 1 . . . . . . . . 4478 1 87 . 1 1 13 13 VAL CB C 13 29.0 . . 1 . . . . . . . . 4478 1 88 . 1 1 13 13 VAL N N 15 129.1 . . 1 . . . . . . . . 4478 1 89 . 1 1 14 14 GLY H H 1 8.23 . . 1 . . . . . . . . 4478 1 90 . 1 1 14 14 GLY HA2 H 1 4.60 . . 2 . . . . . . . . 4478 1 91 . 1 1 14 14 GLY HA3 H 1 3.61 . . 2 . . . . . . . . 4478 1 92 . 1 1 14 14 GLY CA C 13 41.9 . . 1 . . . . . . . . 4478 1 93 . 1 1 14 14 GLY N N 15 115.1 . . 1 . . . . . . . . 4478 1 94 . 1 1 15 15 PRO HA H 1 4.26 . . 1 . . . . . . . . 4478 1 95 . 1 1 15 15 PRO HB2 H 1 2.30 . . 2 . . . . . . . . 4478 1 96 . 1 1 15 15 PRO HB3 H 1 1.80 . . 2 . . . . . . . . 4478 1 97 . 1 1 15 15 PRO HG2 H 1 1.73 . . 1 . . . . . . . . 4478 1 98 . 1 1 15 15 PRO HG3 H 1 1.73 . . 1 . . . . . . . . 4478 1 99 . 1 1 15 15 PRO HD2 H 1 3.13 . . 2 . . . . . . . . 4478 1 100 . 1 1 15 15 PRO HD3 H 1 2.62 . . 2 . . . . . . . . 4478 1 101 . 1 1 15 15 PRO CA C 13 60.2 . . 1 . . . . . . . . 4478 1 102 . 1 1 15 15 PRO CB C 13 29.4 . . 1 . . . . . . . . 4478 1 103 . 1 1 16 16 HIS H H 1 8.83 . . 1 . . . . . . . . 4478 1 104 . 1 1 16 16 HIS HA H 1 4.76 . . 1 . . . . . . . . 4478 1 105 . 1 1 16 16 HIS HB2 H 1 3.19 . . 1 . . . . . . . . 4478 1 106 . 1 1 16 16 HIS HB3 H 1 3.19 . . 1 . . . . . . . . 4478 1 107 . 1 1 16 16 HIS HD2 H 1 7.23 . . 1 . . . . . . . . 4478 1 108 . 1 1 16 16 HIS HE1 H 1 8.52 . . 1 . . . . . . . . 4478 1 109 . 1 1 16 16 HIS CA C 13 52.6 . . 1 . . . . . . . . 4478 1 110 . 1 1 16 16 HIS CB C 13 26.2 . . 1 . . . . . . . . 4478 1 111 . 1 1 16 16 HIS N N 15 121.4 . . 1 . . . . . . . . 4478 1 112 . 1 1 17 17 GLY H H 1 7.95 . . 1 . . . . . . . . 4478 1 113 . 1 1 17 17 GLY HA2 H 1 4.00 . . 1 . . . . . . . . 4478 1 114 . 1 1 17 17 GLY HA3 H 1 4.00 . . 1 . . . . . . . . 4478 1 115 . 1 1 17 17 GLY N N 15 110.9 . . 1 . . . . . . . . 4478 1 116 . 1 1 18 18 PRO HA H 1 4.50 . . 1 . . . . . . . . 4478 1 117 . 1 1 18 18 PRO HB2 H 1 1.94 . . 2 . . . . . . . . 4478 1 118 . 1 1 18 18 PRO HB3 H 1 1.61 . . 2 . . . . . . . . 4478 1 119 . 1 1 18 18 PRO CA C 13 60.3 . . 1 . . . . . . . . 4478 1 120 . 1 1 18 18 PRO CB C 13 29.6 . . 1 . . . . . . . . 4478 1 121 . 1 1 19 19 LEU H H 1 8.70 . . 1 . . . . . . . . 4478 1 122 . 1 1 19 19 LEU HA H 1 4.53 . . 1 . . . . . . . . 4478 1 123 . 1 1 19 19 LEU HB2 H 1 1.59 . . 1 . . . . . . . . 4478 1 124 . 1 1 19 19 LEU HB3 H 1 1.59 . . 1 . . . . . . . . 4478 1 125 . 1 1 19 19 LEU HG H 1 1.63 . . 1 . . . . . . . . 4478 1 126 . 1 1 19 19 LEU HD11 H 1 0.81 . . 1 . . . . . . . . 4478 1 127 . 1 1 19 19 LEU HD12 H 1 0.81 . . 1 . . . . . . . . 4478 1 128 . 1 1 19 19 LEU HD13 H 1 0.81 . . 1 . . . . . . . . 4478 1 129 . 1 1 19 19 LEU HD21 H 1 0.76 . . 1 . . . . . . . . 4478 1 130 . 1 1 19 19 LEU HD22 H 1 0.76 . . 1 . . . . . . . . 4478 1 131 . 1 1 19 19 LEU HD23 H 1 0.76 . . 1 . . . . . . . . 4478 1 132 . 1 1 19 19 LEU CA C 13 50.7 . . 1 . . . . . . . . 4478 1 133 . 1 1 19 19 LEU CB C 13 42.2 . . 1 . . . . . . . . 4478 1 134 . 1 1 19 19 LEU CG C 13 24.6 . . 1 . . . . . . . . 4478 1 135 . 1 1 19 19 LEU CD1 C 13 23.3 . . 1 . . . . . . . . 4478 1 136 . 1 1 19 19 LEU CD2 C 13 24.6 . . 1 . . . . . . . . 4478 1 137 . 1 1 19 19 LEU N N 15 124.0 . . 1 . . . . . . . . 4478 1 138 . 1 1 20 20 ALA H H 1 8.30 . . 1 . . . . . . . . 4478 1 139 . 1 1 20 20 ALA HA H 1 4.80 . . 1 . . . . . . . . 4478 1 140 . 1 1 20 20 ALA HB1 H 1 1.24 . . 1 . . . . . . . . 4478 1 141 . 1 1 20 20 ALA HB2 H 1 1.24 . . 1 . . . . . . . . 4478 1 142 . 1 1 20 20 ALA HB3 H 1 1.24 . . 1 . . . . . . . . 4478 1 143 . 1 1 20 20 ALA CA C 13 47.8 . . 1 . . . . . . . . 4478 1 144 . 1 1 20 20 ALA CB C 13 17.8 . . 1 . . . . . . . . 4478 1 145 . 1 1 20 20 ALA N N 15 124.2 . . 1 . . . . . . . . 4478 1 146 . 1 1 21 21 SER H H 1 8.19 . . 1 . . . . . . . . 4478 1 147 . 1 1 21 21 SER HA H 1 3.72 . . 1 . . . . . . . . 4478 1 148 . 1 1 21 21 SER HB2 H 1 3.53 . . 1 . . . . . . . . 4478 1 149 . 1 1 21 21 SER HB3 H 1 3.53 . . 1 . . . . . . . . 4478 1 150 . 1 1 21 21 SER CA C 13 57.3 . . 1 . . . . . . . . 4478 1 151 . 1 1 21 21 SER CB C 13 60.4 . . 1 . . . . . . . . 4478 1 152 . 1 1 21 21 SER N N 15 116.9 . . 1 . . . . . . . . 4478 1 153 . 1 1 22 22 GLY H H 1 9.09 . . 1 . . . . . . . . 4478 1 154 . 1 1 22 22 GLY HA2 H 1 4.22 . . 2 . . . . . . . . 4478 1 155 . 1 1 22 22 GLY HA3 H 1 3.34 . . 2 . . . . . . . . 4478 1 156 . 1 1 22 22 GLY CA C 13 42.7 . . 1 . . . . . . . . 4478 1 157 . 1 1 22 22 GLY N N 15 113.4 . . 1 . . . . . . . . 4478 1 158 . 1 1 23 23 GLN H H 1 7.75 . . 1 . . . . . . . . 4478 1 159 . 1 1 23 23 GLN HA H 1 4.20 . . 1 . . . . . . . . 4478 1 160 . 1 1 23 23 GLN HB2 H 1 2.10 . . 1 . . . . . . . . 4478 1 161 . 1 1 23 23 GLN HB3 H 1 2.10 . . 1 . . . . . . . . 4478 1 162 . 1 1 23 23 GLN HG2 H 1 2.34 . . 1 . . . . . . . . 4478 1 163 . 1 1 23 23 GLN HG3 H 1 2.34 . . 1 . . . . . . . . 4478 1 164 . 1 1 23 23 GLN CA C 13 52.5 . . 1 . . . . . . . . 4478 1 165 . 1 1 23 23 GLN CB C 13 27.0 . . 1 . . . . . . . . 4478 1 166 . 1 1 23 23 GLN N N 15 121.1 . . 1 . . . . . . . . 4478 1 167 . 1 1 24 24 LEU H H 1 8.49 . . 1 . . . . . . . . 4478 1 168 . 1 1 24 24 LEU HA H 1 3.78 . . 1 . . . . . . . . 4478 1 169 . 1 1 24 24 LEU HB2 H 1 1.50 . . 2 . . . . . . . . 4478 1 170 . 1 1 24 24 LEU HB3 H 1 1.14 . . 2 . . . . . . . . 4478 1 171 . 1 1 24 24 LEU HG H 1 1.07 . . 1 . . . . . . . . 4478 1 172 . 1 1 24 24 LEU HD11 H 1 0.52 . . 1 . . . . . . . . 4478 1 173 . 1 1 24 24 LEU HD12 H 1 0.52 . . 1 . . . . . . . . 4478 1 174 . 1 1 24 24 LEU HD13 H 1 0.52 . . 1 . . . . . . . . 4478 1 175 . 1 1 24 24 LEU HD21 H 1 0.58 . . 1 . . . . . . . . 4478 1 176 . 1 1 24 24 LEU HD22 H 1 0.58 . . 1 . . . . . . . . 4478 1 177 . 1 1 24 24 LEU HD23 H 1 0.58 . . 1 . . . . . . . . 4478 1 178 . 1 1 24 24 LEU CA C 13 53.1 . . 1 . . . . . . . . 4478 1 179 . 1 1 24 24 LEU CB C 13 40.6 . . 1 . . . . . . . . 4478 1 180 . 1 1 24 24 LEU CG C 13 24.2 . . 1 . . . . . . . . 4478 1 181 . 1 1 24 24 LEU CD1 C 13 21.5 . . 1 . . . . . . . . 4478 1 182 . 1 1 24 24 LEU CD2 C 13 22.4 . . 1 . . . . . . . . 4478 1 183 . 1 1 24 24 LEU N N 15 124.5 . . 1 . . . . . . . . 4478 1 184 . 1 1 25 25 ALA H H 1 8.67 . . 1 . . . . . . . . 4478 1 185 . 1 1 25 25 ALA HA H 1 4.30 . . 1 . . . . . . . . 4478 1 186 . 1 1 25 25 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 4478 1 187 . 1 1 25 25 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 4478 1 188 . 1 1 25 25 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 4478 1 189 . 1 1 25 25 ALA CA C 13 48.0 . . 1 . . . . . . . . 4478 1 190 . 1 1 25 25 ALA CB C 13 18.6 . . 1 . . . . . . . . 4478 1 191 . 1 1 25 25 ALA N N 15 132.1 . . 1 . . . . . . . . 4478 1 192 . 1 1 26 26 ALA H H 1 7.87 . . 1 . . . . . . . . 4478 1 193 . 1 1 26 26 ALA HA H 1 4.54 . . 1 . . . . . . . . 4478 1 194 . 1 1 26 26 ALA HB1 H 1 1.10 . . 1 . . . . . . . . 4478 1 195 . 1 1 26 26 ALA HB2 H 1 1.10 . . 1 . . . . . . . . 4478 1 196 . 1 1 26 26 ALA HB3 H 1 1.10 . . 1 . . . . . . . . 4478 1 197 . 1 1 26 26 ALA CA C 13 48.4 . . 1 . . . . . . . . 4478 1 198 . 1 1 26 26 ALA CB C 13 17.9 . . 1 . . . . . . . . 4478 1 199 . 1 1 26 26 ALA N N 15 125.3 . . 1 . . . . . . . . 4478 1 200 . 1 1 27 27 PHE H H 1 8.37 . . 1 . . . . . . . . 4478 1 201 . 1 1 27 27 PHE HA H 1 5.27 . . 1 . . . . . . . . 4478 1 202 . 1 1 27 27 PHE HB2 H 1 2.34 . . 1 . . . . . . . . 4478 1 203 . 1 1 27 27 PHE HB3 H 1 2.93 . . 1 . . . . . . . . 4478 1 204 . 1 1 27 27 PHE HD1 H 1 6.98 . . 1 . . . . . . . . 4478 1 205 . 1 1 27 27 PHE HD2 H 1 6.98 . . 1 . . . . . . . . 4478 1 206 . 1 1 27 27 PHE HE1 H 1 7.35 . . 1 . . . . . . . . 4478 1 207 . 1 1 27 27 PHE HE2 H 1 7.35 . . 1 . . . . . . . . 4478 1 208 . 1 1 27 27 PHE HZ H 1 6.23 . . 1 . . . . . . . . 4478 1 209 . 1 1 27 27 PHE CA C 13 53.3 . . 1 . . . . . . . . 4478 1 210 . 1 1 27 27 PHE CB C 13 42.0 . . 1 . . . . . . . . 4478 1 211 . 1 1 27 27 PHE N N 15 118.7 . . 1 . . . . . . . . 4478 1 212 . 1 1 28 28 HIS H H 1 9.01 . . 1 . . . . . . . . 4478 1 213 . 1 1 28 28 HIS HA H 1 5.72 . . 1 . . . . . . . . 4478 1 214 . 1 1 28 28 HIS HB2 H 1 3.28 . . 2 . . . . . . . . 4478 1 215 . 1 1 28 28 HIS HB3 H 1 3.03 . . 2 . . . . . . . . 4478 1 216 . 1 1 28 28 HIS HD2 H 1 6.86 . . 1 . . . . . . . . 4478 1 217 . 1 1 28 28 HIS HE1 H 1 8.59 . . 1 . . . . . . . . 4478 1 218 . 1 1 28 28 HIS CA C 13 53.2 . . 1 . . . . . . . . 4478 1 219 . 1 1 28 28 HIS CB C 13 28.9 . . 1 . . . . . . . . 4478 1 220 . 1 1 28 28 HIS N N 15 113.9 . . 1 . . . . . . . . 4478 1 221 . 1 1 29 29 ILE H H 1 8.92 . . 1 . . . . . . . . 4478 1 222 . 1 1 29 29 ILE HA H 1 4.72 . . 1 . . . . . . . . 4478 1 223 . 1 1 29 29 ILE HB H 1 1.81 . . 1 . . . . . . . . 4478 1 224 . 1 1 29 29 ILE HG12 H 1 1.34 . . 2 . . . . . . . . 4478 1 225 . 1 1 29 29 ILE HG13 H 1 1.22 . . 2 . . . . . . . . 4478 1 226 . 1 1 29 29 ILE HG21 H 1 0.65 . . 1 . . . . . . . . 4478 1 227 . 1 1 29 29 ILE HG22 H 1 0.65 . . 1 . . . . . . . . 4478 1 228 . 1 1 29 29 ILE HG23 H 1 0.65 . . 1 . . . . . . . . 4478 1 229 . 1 1 29 29 ILE HD11 H 1 0.43 . . 1 . . . . . . . . 4478 1 230 . 1 1 29 29 ILE HD12 H 1 0.43 . . 1 . . . . . . . . 4478 1 231 . 1 1 29 29 ILE HD13 H 1 0.43 . . 1 . . . . . . . . 4478 1 232 . 1 1 29 29 ILE CA C 13 56.5 . . 1 . . . . . . . . 4478 1 233 . 1 1 29 29 ILE CB C 13 35.9 . . 1 . . . . . . . . 4478 1 234 . 1 1 29 29 ILE CG1 C 13 25.1 . . 1 . . . . . . . . 4478 1 235 . 1 1 29 29 ILE CG2 C 13 15.6 . . 1 . . . . . . . . 4478 1 236 . 1 1 29 29 ILE CD1 C 13 10.5 . . 1 . . . . . . . . 4478 1 237 . 1 1 29 29 ILE N N 15 122.2 . . 1 . . . . . . . . 4478 1 238 . 1 1 30 30 ALA H H 1 9.00 . . 1 . . . . . . . . 4478 1 239 . 1 1 30 30 ALA HA H 1 4.72 . . 1 . . . . . . . . 4478 1 240 . 1 1 30 30 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 4478 1 241 . 1 1 30 30 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 4478 1 242 . 1 1 30 30 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 4478 1 243 . 1 1 30 30 ALA CA C 13 48.1 . . 1 . . . . . . . . 4478 1 244 . 1 1 30 30 ALA CB C 13 17.0 . . 1 . . . . . . . . 4478 1 245 . 1 1 30 30 ALA N N 15 132.7 . . 1 . . . . . . . . 4478 1 246 . 1 1 31 31 ALA H H 1 8.33 . . 1 . . . . . . . . 4478 1 247 . 1 1 31 31 ALA HA H 1 4.74 . . 1 . . . . . . . . 4478 1 248 . 1 1 31 31 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4478 1 249 . 1 1 31 31 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4478 1 250 . 1 1 31 31 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4478 1 251 . 1 1 31 31 ALA CA C 13 48.4 . . 1 . . . . . . . . 4478 1 252 . 1 1 31 31 ALA CB C 13 18.8 . . 1 . . . . . . . . 4478 1 253 . 1 1 31 31 ALA N N 15 124.8 . . 1 . . . . . . . . 4478 1 254 . 1 1 32 32 PRO HA H 1 4.44 . . 1 . . . . . . . . 4478 1 255 . 1 1 32 32 PRO HB2 H 1 2.10 . . 1 . . . . . . . . 4478 1 256 . 1 1 32 32 PRO HB3 H 1 1.97 . . 1 . . . . . . . . 4478 1 257 . 1 1 32 32 PRO HD2 H 1 3.50 . . 1 . . . . . . . . 4478 1 258 . 1 1 32 32 PRO CA C 13 60.9 . . 1 . . . . . . . . 4478 1 259 . 1 1 32 32 PRO CB C 13 28.8 . . 1 . . . . . . . . 4478 1 260 . 1 1 33 33 LEU H H 1 6.89 . . 1 . . . . . . . . 4478 1 261 . 1 1 33 33 LEU HA H 1 4.72 . . 1 . . . . . . . . 4478 1 262 . 1 1 33 33 LEU HB2 H 1 1.40 . . 1 . . . . . . . . 4478 1 263 . 1 1 33 33 LEU HB3 H 1 1.40 . . 1 . . . . . . . . 4478 1 264 . 1 1 33 33 LEU HG H 1 1.42 . . 1 . . . . . . . . 4478 1 265 . 1 1 33 33 LEU HD11 H 1 0.75 . . 2 . . . . . . . . 4478 1 266 . 1 1 33 33 LEU HD12 H 1 0.75 . . 2 . . . . . . . . 4478 1 267 . 1 1 33 33 LEU HD13 H 1 0.75 . . 2 . . . . . . . . 4478 1 268 . 1 1 33 33 LEU HD21 H 1 0.81 . . 2 . . . . . . . . 4478 1 269 . 1 1 33 33 LEU HD22 H 1 0.81 . . 2 . . . . . . . . 4478 1 270 . 1 1 33 33 LEU HD23 H 1 0.81 . . 2 . . . . . . . . 4478 1 271 . 1 1 33 33 LEU N N 15 119.1 . . 1 . . . . . . . . 4478 1 272 . 1 1 34 34 PRO HA H 1 4.20 . . 1 . . . . . . . . 4478 1 273 . 1 1 34 34 PRO HB2 H 1 2.15 . . 1 . . . . . . . . 4478 1 274 . 1 1 34 34 PRO HB3 H 1 2.15 . . 1 . . . . . . . . 4478 1 275 . 1 1 35 35 VAL H H 1 8.32 . . 1 . . . . . . . . 4478 1 276 . 1 1 35 35 VAL HA H 1 4.12 . . 1 . . . . . . . . 4478 1 277 . 1 1 35 35 VAL HB H 1 1.81 . . 1 . . . . . . . . 4478 1 278 . 1 1 35 35 VAL HG11 H 1 0.64 . . 1 . . . . . . . . 4478 1 279 . 1 1 35 35 VAL HG12 H 1 0.64 . . 1 . . . . . . . . 4478 1 280 . 1 1 35 35 VAL HG13 H 1 0.64 . . 1 . . . . . . . . 4478 1 281 . 1 1 35 35 VAL HG21 H 1 0.78 . . 1 . . . . . . . . 4478 1 282 . 1 1 35 35 VAL HG22 H 1 0.78 . . 1 . . . . . . . . 4478 1 283 . 1 1 35 35 VAL HG23 H 1 0.78 . . 1 . . . . . . . . 4478 1 284 . 1 1 35 35 VAL CA C 13 60.8 . . 1 . . . . . . . . 4478 1 285 . 1 1 35 35 VAL CB C 13 29.3 . . 1 . . . . . . . . 4478 1 286 . 1 1 35 35 VAL CG1 C 13 20.2 . . 1 . . . . . . . . 4478 1 287 . 1 1 35 35 VAL CG2 C 13 18.4 . . 1 . . . . . . . . 4478 1 288 . 1 1 35 35 VAL N N 15 124.8 . . 1 . . . . . . . . 4478 1 289 . 1 1 36 36 THR H H 1 8.46 . . 1 . . . . . . . . 4478 1 290 . 1 1 36 36 THR HA H 1 4.20 . . 1 . . . . . . . . 4478 1 291 . 1 1 36 36 THR HB H 1 4.20 . . 1 . . . . . . . . 4478 1 292 . 1 1 36 36 THR HG21 H 1 1.04 . . 1 . . . . . . . . 4478 1 293 . 1 1 36 36 THR HG22 H 1 1.04 . . 1 . . . . . . . . 4478 1 294 . 1 1 36 36 THR HG23 H 1 1.04 . . 1 . . . . . . . . 4478 1 295 . 1 1 36 36 THR CA C 13 59.5 . . 1 . . . . . . . . 4478 1 296 . 1 1 36 36 THR CB C 13 66.5 . . 1 . . . . . . . . 4478 1 297 . 1 1 36 36 THR CG2 C 13 38.9 . . 1 . . . . . . . . 4478 1 298 . 1 1 36 36 THR N N 15 118.0 . . 1 . . . . . . . . 4478 1 299 . 1 1 37 37 ALA H H 1 7.32 . . 1 . . . . . . . . 4478 1 300 . 1 1 37 37 ALA HA H 1 4.91 . . 1 . . . . . . . . 4478 1 301 . 1 1 37 37 ALA HB1 H 1 1.32 . . 1 . . . . . . . . 4478 1 302 . 1 1 37 37 ALA HB2 H 1 1.32 . . 1 . . . . . . . . 4478 1 303 . 1 1 37 37 ALA HB3 H 1 1.32 . . 1 . . . . . . . . 4478 1 304 . 1 1 37 37 ALA CA C 13 50.2 . . 1 . . . . . . . . 4478 1 305 . 1 1 37 37 ALA CB C 13 18.4 . . 1 . . . . . . . . 4478 1 306 . 1 1 37 37 ALA N N 15 122.9 . . 1 . . . . . . . . 4478 1 307 . 1 1 38 38 THR H H 1 8.79 . . 1 . . . . . . . . 4478 1 308 . 1 1 38 38 THR HA H 1 4.81 . . 1 . . . . . . . . 4478 1 309 . 1 1 38 38 THR HB H 1 3.34 . . 1 . . . . . . . . 4478 1 310 . 1 1 38 38 THR HG21 H 1 0.72 . . 1 . . . . . . . . 4478 1 311 . 1 1 38 38 THR HG22 H 1 0.72 . . 1 . . . . . . . . 4478 1 312 . 1 1 38 38 THR HG23 H 1 0.72 . . 1 . . . . . . . . 4478 1 313 . 1 1 38 38 THR CA C 13 57.2 . . 1 . . . . . . . . 4478 1 314 . 1 1 38 38 THR CB C 13 69.8 . . 1 . . . . . . . . 4478 1 315 . 1 1 38 38 THR CG2 C 13 21.7 . . 1 . . . . . . . . 4478 1 316 . 1 1 38 38 THR N N 15 112.7 . . 1 . . . . . . . . 4478 1 317 . 1 1 39 39 ARG H H 1 7.99 . . 1 . . . . . . . . 4478 1 318 . 1 1 39 39 ARG HA H 1 5.26 . . 1 . . . . . . . . 4478 1 319 . 1 1 39 39 ARG HB2 H 1 1.41 . . 1 . . . . . . . . 4478 1 320 . 1 1 39 39 ARG HB3 H 1 1.41 . . 1 . . . . . . . . 4478 1 321 . 1 1 39 39 ARG HG2 H 1 1.40 . . 1 . . . . . . . . 4478 1 322 . 1 1 39 39 ARG HG3 H 1 1.40 . . 1 . . . . . . . . 4478 1 323 . 1 1 39 39 ARG HD2 H 1 2.93 . . 1 . . . . . . . . 4478 1 324 . 1 1 39 39 ARG HD3 H 1 2.93 . . 1 . . . . . . . . 4478 1 325 . 1 1 39 39 ARG HE H 1 7.19 . . 1 . . . . . . . . 4478 1 326 . 1 1 39 39 ARG CA C 13 52.4 . . 1 . . . . . . . . 4478 1 327 . 1 1 39 39 ARG CB C 13 30.0 . . 1 . . . . . . . . 4478 1 328 . 1 1 39 39 ARG N N 15 122.2 . . 1 . . . . . . . . 4478 1 329 . 1 1 40 40 TRP H H 1 9.33 . . 1 . . . . . . . . 4478 1 330 . 1 1 40 40 TRP HA H 1 4.44 . . 1 . . . . . . . . 4478 1 331 . 1 1 40 40 TRP HB2 H 1 2.43 . . 2 . . . . . . . . 4478 1 332 . 1 1 40 40 TRP HB3 H 1 1.69 . . 2 . . . . . . . . 4478 1 333 . 1 1 40 40 TRP HD1 H 1 6.79 . . 1 . . . . . . . . 4478 1 334 . 1 1 40 40 TRP HE1 H 1 10.23 . . 1 . . . . . . . . 4478 1 335 . 1 1 40 40 TRP HE3 H 1 6.31 . . 1 . . . . . . . . 4478 1 336 . 1 1 40 40 TRP HZ2 H 1 6.98 . . 1 . . . . . . . . 4478 1 337 . 1 1 40 40 TRP HZ3 H 1 6.18 . . 1 . . . . . . . . 4478 1 338 . 1 1 40 40 TRP HH2 H 1 6.41 . . 1 . . . . . . . . 4478 1 339 . 1 1 40 40 TRP CA C 13 54.0 . . 1 . . . . . . . . 4478 1 340 . 1 1 40 40 TRP CB C 13 29.2 . . 1 . . . . . . . . 4478 1 341 . 1 1 40 40 TRP N N 15 127.1 . . 1 . . . . . . . . 4478 1 342 . 1 1 40 40 TRP NE1 N 15 128.8 . . 1 . . . . . . . . 4478 1 343 . 1 1 41 41 ASP H H 1 8.36 . . 1 . . . . . . . . 4478 1 344 . 1 1 41 41 ASP HA H 1 4.73 . . 1 . . . . . . . . 4478 1 345 . 1 1 41 41 ASP HB2 H 1 2.88 . . 1 . . . . . . . . 4478 1 346 . 1 1 41 41 ASP HB3 H 1 2.28 . . 1 . . . . . . . . 4478 1 347 . 1 1 41 41 ASP CA C 13 48.8 . . 1 . . . . . . . . 4478 1 348 . 1 1 41 41 ASP CB C 13 38.2 . . 1 . . . . . . . . 4478 1 349 . 1 1 41 41 ASP N N 15 119.9 . . 1 . . . . . . . . 4478 1 350 . 1 1 42 42 PHE H H 1 8.95 . . 1 . . . . . . . . 4478 1 351 . 1 1 42 42 PHE HA H 1 4.11 . . 1 . . . . . . . . 4478 1 352 . 1 1 42 42 PHE HB2 H 1 1.47 . . 1 . . . . . . . . 4478 1 353 . 1 1 42 42 PHE HB3 H 1 2.53 . . 1 . . . . . . . . 4478 1 354 . 1 1 42 42 PHE HD1 H 1 6.63 . . 1 . . . . . . . . 4478 1 355 . 1 1 42 42 PHE HD2 H 1 6.63 . . 1 . . . . . . . . 4478 1 356 . 1 1 42 42 PHE HE1 H 1 6.94 . . 1 . . . . . . . . 4478 1 357 . 1 1 42 42 PHE HE2 H 1 6.94 . . 1 . . . . . . . . 4478 1 358 . 1 1 42 42 PHE HZ H 1 6.14 . . 1 . . . . . . . . 4478 1 359 . 1 1 42 42 PHE CA C 13 58.0 . . 1 . . . . . . . . 4478 1 360 . 1 1 42 42 PHE CB C 13 34.7 . . 1 . . . . . . . . 4478 1 361 . 1 1 42 42 PHE N N 15 121.2 . . 1 . . . . . . . . 4478 1 362 . 1 1 43 43 GLY H H 1 8.46 . . 1 . . . . . . . . 4478 1 363 . 1 1 43 43 GLY HA2 H 1 4.51 . . 2 . . . . . . . . 4478 1 364 . 1 1 43 43 GLY HA3 H 1 3.90 . . 2 . . . . . . . . 4478 1 365 . 1 1 43 43 GLY CA C 13 44.5 . . 1 . . . . . . . . 4478 1 366 . 1 1 43 43 GLY N N 15 105.4 . . 1 . . . . . . . . 4478 1 367 . 1 1 44 44 ASP H H 1 8.32 . . 1 . . . . . . . . 4478 1 368 . 1 1 44 44 ASP HA H 1 4.93 . . 1 . . . . . . . . 4478 1 369 . 1 1 44 44 ASP HB2 H 1 3.10 . . 2 . . . . . . . . 4478 1 370 . 1 1 44 44 ASP HB3 H 1 1.99 . . 2 . . . . . . . . 4478 1 371 . 1 1 44 44 ASP CA C 13 49.4 . . 1 . . . . . . . . 4478 1 372 . 1 1 44 44 ASP CB C 13 38.7 . . 1 . . . . . . . . 4478 1 373 . 1 1 44 44 ASP N N 15 117.3 . . 1 . . . . . . . . 4478 1 374 . 1 1 45 45 GLY H H 1 8.77 . . 1 . . . . . . . . 4478 1 375 . 1 1 45 45 GLY HA2 H 1 4.28 . . 2 . . . . . . . . 4478 1 376 . 1 1 45 45 GLY HA3 H 1 3.65 . . 2 . . . . . . . . 4478 1 377 . 1 1 45 45 GLY CA C 13 42.6 . . 1 . . . . . . . . 4478 1 378 . 1 1 45 45 GLY N N 15 111.0 . . 1 . . . . . . . . 4478 1 379 . 1 1 46 46 SER H H 1 7.52 . . 1 . . . . . . . . 4478 1 380 . 1 1 46 46 SER HA H 1 4.30 . . 1 . . . . . . . . 4478 1 381 . 1 1 46 46 SER HB2 H 1 4.02 . . 1 . . . . . . . . 4478 1 382 . 1 1 46 46 SER HB3 H 1 4.02 . . 1 . . . . . . . . 4478 1 383 . 1 1 46 46 SER CA C 13 61.5 . . 1 . . . . . . . . 4478 1 384 . 1 1 46 46 SER CB C 13 55.5 . . 1 . . . . . . . . 4478 1 385 . 1 1 46 46 SER N N 15 115.4 . . 1 . . . . . . . . 4478 1 386 . 1 1 47 47 ALA H H 1 8.42 . . 1 . . . . . . . . 4478 1 387 . 1 1 47 47 ALA HA H 1 4.13 . . 1 . . . . . . . . 4478 1 388 . 1 1 47 47 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 4478 1 389 . 1 1 47 47 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 4478 1 390 . 1 1 47 47 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 4478 1 391 . 1 1 47 47 ALA CA C 13 49.9 . . 1 . . . . . . . . 4478 1 392 . 1 1 47 47 ALA CB C 13 16.3 . . 1 . . . . . . . . 4478 1 393 . 1 1 47 47 ALA N N 15 123.7 . . 1 . . . . . . . . 4478 1 394 . 1 1 48 48 GLU H H 1 8.43 . . 1 . . . . . . . . 4478 1 395 . 1 1 48 48 GLU HA H 1 4.46 . . 1 . . . . . . . . 4478 1 396 . 1 1 48 48 GLU HB2 H 1 1.90 . . 2 . . . . . . . . 4478 1 397 . 1 1 48 48 GLU HB3 H 1 1.72 . . 2 . . . . . . . . 4478 1 398 . 1 1 48 48 GLU HG2 H 1 2.38 . . 2 . . . . . . . . 4478 1 399 . 1 1 48 48 GLU HG3 H 1 2.15 . . 2 . . . . . . . . 4478 1 400 . 1 1 48 48 GLU CA C 13 54.2 . . 1 . . . . . . . . 4478 1 401 . 1 1 48 48 GLU CB C 13 26.5 . . 1 . . . . . . . . 4478 1 402 . 1 1 48 48 GLU N N 15 121.3 . . 1 . . . . . . . . 4478 1 403 . 1 1 49 49 VAL H H 1 8.48 . . 1 . . . . . . . . 4478 1 404 . 1 1 49 49 VAL HA H 1 4.29 . . 1 . . . . . . . . 4478 1 405 . 1 1 49 49 VAL HB H 1 1.92 . . 1 . . . . . . . . 4478 1 406 . 1 1 49 49 VAL HG11 H 1 0.95 . . 1 . . . . . . . . 4478 1 407 . 1 1 49 49 VAL HG12 H 1 0.95 . . 1 . . . . . . . . 4478 1 408 . 1 1 49 49 VAL HG13 H 1 0.95 . . 1 . . . . . . . . 4478 1 409 . 1 1 49 49 VAL HG21 H 1 1.15 . . 1 . . . . . . . . 4478 1 410 . 1 1 49 49 VAL HG22 H 1 1.15 . . 1 . . . . . . . . 4478 1 411 . 1 1 49 49 VAL HG23 H 1 1.15 . . 1 . . . . . . . . 4478 1 412 . 1 1 49 49 VAL CA C 13 58.8 . . 1 . . . . . . . . 4478 1 413 . 1 1 49 49 VAL CB C 13 33.0 . . 1 . . . . . . . . 4478 1 414 . 1 1 49 49 VAL CG1 C 13 18.0 . . 1 . . . . . . . . 4478 1 415 . 1 1 49 49 VAL CG2 C 13 18.8 . . 1 . . . . . . . . 4478 1 416 . 1 1 49 49 VAL N N 15 123.5 . . 1 . . . . . . . . 4478 1 417 . 1 1 50 50 ASP H H 1 8.83 . . 1 . . . . . . . . 4478 1 418 . 1 1 50 50 ASP HA H 1 5.45 . . 1 . . . . . . . . 4478 1 419 . 1 1 50 50 ASP HB2 H 1 2.78 . . 1 . . . . . . . . 4478 1 420 . 1 1 50 50 ASP HB3 H 1 2.61 . . 1 . . . . . . . . 4478 1 421 . 1 1 50 50 ASP CA C 13 49.7 . . 1 . . . . . . . . 4478 1 422 . 1 1 50 50 ASP CB C 13 36.6 . . 1 . . . . . . . . 4478 1 423 . 1 1 50 50 ASP N N 15 127.4 . . 1 . . . . . . . . 4478 1 424 . 1 1 51 51 ALA H H 1 9.13 . . 1 . . . . . . . . 4478 1 425 . 1 1 51 51 ALA HA H 1 4.72 . . 1 . . . . . . . . 4478 1 426 . 1 1 51 51 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 4478 1 427 . 1 1 51 51 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 4478 1 428 . 1 1 51 51 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 4478 1 429 . 1 1 51 51 ALA CA C 13 48.5 . . 1 . . . . . . . . 4478 1 430 . 1 1 51 51 ALA CB C 13 19.1 . . 1 . . . . . . . . 4478 1 431 . 1 1 51 51 ALA N N 15 127.1 . . 1 . . . . . . . . 4478 1 432 . 1 1 52 52 ALA H H 1 8.56 . . 1 . . . . . . . . 4478 1 433 . 1 1 52 52 ALA HA H 1 4.78 . . 1 . . . . . . . . 4478 1 434 . 1 1 52 52 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 4478 1 435 . 1 1 52 52 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 4478 1 436 . 1 1 52 52 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 4478 1 437 . 1 1 52 52 ALA CA C 13 48.7 . . 1 . . . . . . . . 4478 1 438 . 1 1 52 52 ALA CB C 13 15.3 . . 1 . . . . . . . . 4478 1 439 . 1 1 52 52 ALA N N 15 127.2 . . 1 . . . . . . . . 4478 1 440 . 1 1 53 53 GLY H H 1 7.64 . . 1 . . . . . . . . 4478 1 441 . 1 1 53 53 GLY HA2 H 1 4.00 . . 1 . . . . . . . . 4478 1 442 . 1 1 53 53 GLY HA3 H 1 4.00 . . 1 . . . . . . . . 4478 1 443 . 1 1 53 53 GLY N N 15 107.4 . . 1 . . . . . . . . 4478 1 444 . 1 1 54 54 PRO HA H 1 4.49 . . 1 . . . . . . . . 4478 1 445 . 1 1 54 54 PRO HB2 H 1 2.01 . . 1 . . . . . . . . 4478 1 446 . 1 1 54 54 PRO HB3 H 1 2.01 . . 1 . . . . . . . . 4478 1 447 . 1 1 54 54 PRO HG2 H 1 1.87 . . 1 . . . . . . . . 4478 1 448 . 1 1 54 54 PRO HG3 H 1 1.87 . . 1 . . . . . . . . 4478 1 449 . 1 1 54 54 PRO HD2 H 1 3.49 . . 1 . . . . . . . . 4478 1 450 . 1 1 54 54 PRO HD3 H 1 3.49 . . 1 . . . . . . . . 4478 1 451 . 1 1 54 54 PRO CA C 13 61.1 . . 1 . . . . . . . . 4478 1 452 . 1 1 54 54 PRO CB C 13 30.6 . . 1 . . . . . . . . 4478 1 453 . 1 1 54 54 PRO CD C 13 46.5 . . 1 . . . . . . . . 4478 1 454 . 1 1 55 55 ALA H H 1 8.00 . . 1 . . . . . . . . 4478 1 455 . 1 1 55 55 ALA HA H 1 5.33 . . 1 . . . . . . . . 4478 1 456 . 1 1 55 55 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 4478 1 457 . 1 1 55 55 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 4478 1 458 . 1 1 55 55 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 4478 1 459 . 1 1 55 55 ALA CA C 13 48.8 . . 1 . . . . . . . . 4478 1 460 . 1 1 55 55 ALA CB C 13 20.7 . . 1 . . . . . . . . 4478 1 461 . 1 1 55 55 ALA N N 15 123.2 . . 1 . . . . . . . . 4478 1 462 . 1 1 56 56 ALA H H 1 7.77 . . 1 . . . . . . . . 4478 1 463 . 1 1 56 56 ALA HA H 1 4.13 . . 1 . . . . . . . . 4478 1 464 . 1 1 56 56 ALA HB1 H 1 0.01 . . 1 . . . . . . . . 4478 1 465 . 1 1 56 56 ALA HB2 H 1 0.01 . . 1 . . . . . . . . 4478 1 466 . 1 1 56 56 ALA HB3 H 1 0.01 . . 1 . . . . . . . . 4478 1 467 . 1 1 56 56 ALA CA C 13 49.2 . . 1 . . . . . . . . 4478 1 468 . 1 1 56 56 ALA CB C 13 17.4 . . 1 . . . . . . . . 4478 1 469 . 1 1 56 56 ALA N N 15 120.3 . . 1 . . . . . . . . 4478 1 470 . 1 1 57 57 SER H H 1 9.09 . . 1 . . . . . . . . 4478 1 471 . 1 1 57 57 SER HA H 1 5.52 . . 1 . . . . . . . . 4478 1 472 . 1 1 57 57 SER HB2 H 1 3.51 . . 2 . . . . . . . . 4478 1 473 . 1 1 57 57 SER HB3 H 1 3.35 . . 2 . . . . . . . . 4478 1 474 . 1 1 57 57 SER CA C 13 53.8 . . 1 . . . . . . . . 4478 1 475 . 1 1 57 57 SER CB C 13 63.7 . . 1 . . . . . . . . 4478 1 476 . 1 1 57 57 SER N N 15 113.4 . . 1 . . . . . . . . 4478 1 477 . 1 1 58 58 HIS H H 1 8.64 . . 1 . . . . . . . . 4478 1 478 . 1 1 58 58 HIS HA H 1 4.03 . . 1 . . . . . . . . 4478 1 479 . 1 1 58 58 HIS HB2 H 1 1.47 . . 1 . . . . . . . . 4478 1 480 . 1 1 58 58 HIS HB3 H 1 0.70 . . 1 . . . . . . . . 4478 1 481 . 1 1 58 58 HIS HE1 H 1 8.30 . . 1 . . . . . . . . 4478 1 482 . 1 1 58 58 HIS CA C 13 52.0 . . 1 . . . . . . . . 4478 1 483 . 1 1 58 58 HIS CB C 13 28.5 . . 1 . . . . . . . . 4478 1 484 . 1 1 58 58 HIS N N 15 117.4 . . 1 . . . . . . . . 4478 1 485 . 1 1 59 59 ARG H H 1 7.53 . . 1 . . . . . . . . 4478 1 486 . 1 1 59 59 ARG HA H 1 4.46 . . 1 . . . . . . . . 4478 1 487 . 1 1 59 59 ARG HB2 H 1 1.04 . . 1 . . . . . . . . 4478 1 488 . 1 1 59 59 ARG HB3 H 1 1.04 . . 1 . . . . . . . . 4478 1 489 . 1 1 59 59 ARG HG2 H 1 0.78 . . 2 . . . . . . . . 4478 1 490 . 1 1 59 59 ARG HG3 H 1 1.00 . . 2 . . . . . . . . 4478 1 491 . 1 1 59 59 ARG HD2 H 1 2.94 . . 2 . . . . . . . . 4478 1 492 . 1 1 59 59 ARG HD3 H 1 2.77 . . 2 . . . . . . . . 4478 1 493 . 1 1 59 59 ARG HE H 1 6.96 . . 1 . . . . . . . . 4478 1 494 . 1 1 59 59 ARG CA C 13 52.1 . . 1 . . . . . . . . 4478 1 495 . 1 1 59 59 ARG CB C 13 26.74 . . 1 . . . . . . . . 4478 1 496 . 1 1 59 59 ARG N N 15 126.0 . . 1 . . . . . . . . 4478 1 497 . 1 1 60 60 TYR H H 1 8.08 . . 1 . . . . . . . . 4478 1 498 . 1 1 60 60 TYR HA H 1 4.23 . . 1 . . . . . . . . 4478 1 499 . 1 1 60 60 TYR HB2 H 1 2.78 . . 1 . . . . . . . . 4478 1 500 . 1 1 60 60 TYR HB3 H 1 2.54 . . 1 . . . . . . . . 4478 1 501 . 1 1 60 60 TYR HD1 H 1 7.00 . . 1 . . . . . . . . 4478 1 502 . 1 1 60 60 TYR HD2 H 1 7.00 . . 1 . . . . . . . . 4478 1 503 . 1 1 60 60 TYR HE1 H 1 7.29 . . 1 . . . . . . . . 4478 1 504 . 1 1 60 60 TYR HE2 H 1 7.29 . . 1 . . . . . . . . 4478 1 505 . 1 1 60 60 TYR CA C 13 55.45 . . 1 . . . . . . . . 4478 1 506 . 1 1 60 60 TYR CB C 13 37.5 . . 1 . . . . . . . . 4478 1 507 . 1 1 60 60 TYR N N 15 122.9 . . 1 . . . . . . . . 4478 1 508 . 1 1 61 61 VAL H H 1 8.60 . . 1 . . . . . . . . 4478 1 509 . 1 1 61 61 VAL HA H 1 3.91 . . 1 . . . . . . . . 4478 1 510 . 1 1 61 61 VAL HB H 1 1.97 . . 1 . . . . . . . . 4478 1 511 . 1 1 61 61 VAL HG11 H 1 0.76 . . 2 . . . . . . . . 4478 1 512 . 1 1 61 61 VAL HG12 H 1 0.76 . . 2 . . . . . . . . 4478 1 513 . 1 1 61 61 VAL HG13 H 1 0.76 . . 2 . . . . . . . . 4478 1 514 . 1 1 61 61 VAL HG21 H 1 0.73 . . 2 . . . . . . . . 4478 1 515 . 1 1 61 61 VAL HG22 H 1 0.73 . . 2 . . . . . . . . 4478 1 516 . 1 1 61 61 VAL HG23 H 1 0.73 . . 2 . . . . . . . . 4478 1 517 . 1 1 61 61 VAL CA C 13 61.0 . . 1 . . . . . . . . 4478 1 518 . 1 1 61 61 VAL CB C 13 29.8 . . 1 . . . . . . . . 4478 1 519 . 1 1 61 61 VAL N N 15 118.8 . . 1 . . . . . . . . 4478 1 520 . 1 1 62 62 LEU H H 1 7.77 . . 1 . . . . . . . . 4478 1 521 . 1 1 62 62 LEU HA H 1 4.20 . . 1 . . . . . . . . 4478 1 522 . 1 1 62 62 LEU HB2 H 1 2.34 . . 2 . . . . . . . . 4478 1 523 . 1 1 62 62 LEU HB3 H 1 2.10 . . 2 . . . . . . . . 4478 1 524 . 1 1 62 62 LEU HG H 1 1.58 . . 1 . . . . . . . . 4478 1 525 . 1 1 62 62 LEU HD11 H 1 0.90 . . 1 . . . . . . . . 4478 1 526 . 1 1 62 62 LEU HD12 H 1 0.90 . . 1 . . . . . . . . 4478 1 527 . 1 1 62 62 LEU HD13 H 1 0.90 . . 1 . . . . . . . . 4478 1 528 . 1 1 62 62 LEU HD21 H 1 0.90 . . 1 . . . . . . . . 4478 1 529 . 1 1 62 62 LEU HD22 H 1 0.90 . . 1 . . . . . . . . 4478 1 530 . 1 1 62 62 LEU HD23 H 1 0.90 . . 1 . . . . . . . . 4478 1 531 . 1 1 62 62 LEU N N 15 120.3 . . 1 . . . . . . . . 4478 1 532 . 1 1 63 63 PRO HA H 1 4.03 . . 1 . . . . . . . . 4478 1 533 . 1 1 63 63 PRO HB2 H 1 2.05 . . 1 . . . . . . . . 4478 1 534 . 1 1 63 63 PRO HB3 H 1 1.84 . . 2 . . . . . . . . 4478 1 535 . 1 1 63 63 PRO HG2 H 1 1.84 . . 2 . . . . . . . . 4478 1 536 . 1 1 63 63 PRO CA C 13 59.9 . . 1 . . . . . . . . 4478 1 537 . 1 1 63 63 PRO CB C 13 29.8 . . 1 . . . . . . . . 4478 1 538 . 1 1 64 64 GLY H H 1 8.54 . . 1 . . . . . . . . 4478 1 539 . 1 1 64 64 GLY HA2 H 1 3.82 . . 2 . . . . . . . . 4478 1 540 . 1 1 64 64 GLY HA3 H 1 3.56 . . 2 . . . . . . . . 4478 1 541 . 1 1 64 64 GLY CA C 13 41.8 . . 1 . . . . . . . . 4478 1 542 . 1 1 64 64 GLY N N 15 108.3 . . 1 . . . . . . . . 4478 1 543 . 1 1 65 65 ARG H H 1 7.65 . . 1 . . . . . . . . 4478 1 544 . 1 1 65 65 ARG HA H 1 4.85 . . 1 . . . . . . . . 4478 1 545 . 1 1 65 65 ARG HB2 H 1 1.45 . . 1 . . . . . . . . 4478 1 546 . 1 1 65 65 ARG HB3 H 1 1.45 . . 1 . . . . . . . . 4478 1 547 . 1 1 65 65 ARG HG2 H 1 1.22 . . 2 . . . . . . . . 4478 1 548 . 1 1 65 65 ARG HG3 H 1 1.36 . . 2 . . . . . . . . 4478 1 549 . 1 1 65 65 ARG HD2 H 1 2.98 . . 1 . . . . . . . . 4478 1 550 . 1 1 65 65 ARG HD3 H 1 2.98 . . 1 . . . . . . . . 4478 1 551 . 1 1 65 65 ARG HE H 1 7.12 . . 1 . . . . . . . . 4478 1 552 . 1 1 65 65 ARG CA C 13 51.5 . . 1 . . . . . . . . 4478 1 553 . 1 1 65 65 ARG CB C 13 28.3 . . 1 . . . . . . . . 4478 1 554 . 1 1 65 65 ARG N N 15 119.9 . . 1 . . . . . . . . 4478 1 555 . 1 1 66 66 TYR H H 1 8.58 . . 1 . . . . . . . . 4478 1 556 . 1 1 66 66 TYR HA H 1 4.77 . . 1 . . . . . . . . 4478 1 557 . 1 1 66 66 TYR HB2 H 1 3.06 . . 1 . . . . . . . . 4478 1 558 . 1 1 66 66 TYR HB3 H 1 2.22 . . 1 . . . . . . . . 4478 1 559 . 1 1 66 66 TYR HD1 H 1 6.52 . . 1 . . . . . . . . 4478 1 560 . 1 1 66 66 TYR HD2 H 1 6.52 . . 1 . . . . . . . . 4478 1 561 . 1 1 66 66 TYR CA C 13 54.1 . . 1 . . . . . . . . 4478 1 562 . 1 1 66 66 TYR CB C 13 38.9 . . 1 . . . . . . . . 4478 1 563 . 1 1 66 66 TYR N N 15 123.2 . . 1 . . . . . . . . 4478 1 564 . 1 1 67 67 HIS H H 1 9.34 . . 1 . . . . . . . . 4478 1 565 . 1 1 67 67 HIS HA H 1 5.25 . . 1 . . . . . . . . 4478 1 566 . 1 1 67 67 HIS HB2 H 1 3.23 . . 2 . . . . . . . . 4478 1 567 . 1 1 67 67 HIS HB3 H 1 2.91 . . 2 . . . . . . . . 4478 1 568 . 1 1 67 67 HIS HD2 H 1 6.96 . . 1 . . . . . . . . 4478 1 569 . 1 1 67 67 HIS HE1 H 1 8.43 . . 1 . . . . . . . . 4478 1 570 . 1 1 67 67 HIS CA C 13 51.9 . . 1 . . . . . . . . 4478 1 571 . 1 1 67 67 HIS CB C 13 26.6 . . 1 . . . . . . . . 4478 1 572 . 1 1 67 67 HIS N N 15 122.9 . . 1 . . . . . . . . 4478 1 573 . 1 1 68 68 VAL H H 1 8.59 . . 1 . . . . . . . . 4478 1 574 . 1 1 68 68 VAL HA H 1 4.28 . . 1 . . . . . . . . 4478 1 575 . 1 1 68 68 VAL HB H 1 1.44 . . 1 . . . . . . . . 4478 1 576 . 1 1 68 68 VAL HG11 H 1 0.21 . . 1 . . . . . . . . 4478 1 577 . 1 1 68 68 VAL HG12 H 1 0.21 . . 1 . . . . . . . . 4478 1 578 . 1 1 68 68 VAL HG13 H 1 0.21 . . 1 . . . . . . . . 4478 1 579 . 1 1 68 68 VAL HG21 H 1 0.84 . . 1 . . . . . . . . 4478 1 580 . 1 1 68 68 VAL HG22 H 1 0.84 . . 1 . . . . . . . . 4478 1 581 . 1 1 68 68 VAL HG23 H 1 0.84 . . 1 . . . . . . . . 4478 1 582 . 1 1 68 68 VAL CA C 13 58.1 . . 1 . . . . . . . . 4478 1 583 . 1 1 68 68 VAL CB C 13 30.7 . . 1 . . . . . . . . 4478 1 584 . 1 1 68 68 VAL CG1 C 13 17.2 . . 1 . . . . . . . . 4478 1 585 . 1 1 68 68 VAL CG2 C 13 20.0 . . 1 . . . . . . . . 4478 1 586 . 1 1 68 68 VAL N N 15 130.2 . . 1 . . . . . . . . 4478 1 587 . 1 1 69 69 THR H H 1 8.63 . . 1 . . . . . . . . 4478 1 588 . 1 1 69 69 THR HA H 1 4.88 . . 1 . . . . . . . . 4478 1 589 . 1 1 69 69 THR HB H 1 3.74 . . 2 . . . . . . . . 4478 1 590 . 1 1 69 69 THR HG21 H 1 0.90 . . 1 . . . . . . . . 4478 1 591 . 1 1 69 69 THR HG22 H 1 0.90 . . 1 . . . . . . . . 4478 1 592 . 1 1 69 69 THR HG23 H 1 0.90 . . 1 . . . . . . . . 4478 1 593 . 1 1 69 69 THR CA C 13 56.7 . . 1 . . . . . . . . 4478 1 594 . 1 1 69 69 THR CB C 13 69.5 . . 1 . . . . . . . . 4478 1 595 . 1 1 69 69 THR CG2 C 13 19.6 . . 1 . . . . . . . . 4478 1 596 . 1 1 69 69 THR N N 15 117.0 . . 1 . . . . . . . . 4478 1 597 . 1 1 70 70 ALA H H 1 8.32 . . 1 . . . . . . . . 4478 1 598 . 1 1 70 70 ALA HA H 1 4.35 . . 1 . . . . . . . . 4478 1 599 . 1 1 70 70 ALA HB1 H 1 -0.31 . . 1 . . . . . . . . 4478 1 600 . 1 1 70 70 ALA HB2 H 1 -0.31 . . 1 . . . . . . . . 4478 1 601 . 1 1 70 70 ALA HB3 H 1 -0.31 . . 1 . . . . . . . . 4478 1 602 . 1 1 70 70 ALA CA C 13 46.9 . . 1 . . . . . . . . 4478 1 603 . 1 1 70 70 ALA CB C 13 18.0 . . 1 . . . . . . . . 4478 1 604 . 1 1 70 70 ALA N N 15 123.8 . . 1 . . . . . . . . 4478 1 605 . 1 1 71 71 VAL H H 1 8.29 . . 1 . . . . . . . . 4478 1 606 . 1 1 71 71 VAL HA H 1 4.56 . . 1 . . . . . . . . 4478 1 607 . 1 1 71 71 VAL HB H 1 1.57 . . 1 . . . . . . . . 4478 1 608 . 1 1 71 71 VAL HG11 H 1 0.66 . . 1 . . . . . . . . 4478 1 609 . 1 1 71 71 VAL HG12 H 1 0.66 . . 1 . . . . . . . . 4478 1 610 . 1 1 71 71 VAL HG13 H 1 0.66 . . 1 . . . . . . . . 4478 1 611 . 1 1 71 71 VAL HG21 H 1 0.66 . . 1 . . . . . . . . 4478 1 612 . 1 1 71 71 VAL HG22 H 1 0.66 . . 1 . . . . . . . . 4478 1 613 . 1 1 71 71 VAL HG23 H 1 0.66 . . 1 . . . . . . . . 4478 1 614 . 1 1 71 71 VAL CA C 13 58.1 . . 1 . . . . . . . . 4478 1 615 . 1 1 71 71 VAL CB C 13 30.8 . . 1 . . . . . . . . 4478 1 616 . 1 1 71 71 VAL N N 15 120.7 . . 1 . . . . . . . . 4478 1 617 . 1 1 72 72 LEU H H 1 8.66 . . 1 . . . . . . . . 4478 1 618 . 1 1 72 72 LEU HA H 1 4.55 . . 1 . . . . . . . . 4478 1 619 . 1 1 72 72 LEU HB2 H 1 1.41 . . 1 . . . . . . . . 4478 1 620 . 1 1 72 72 LEU HB3 H 1 1.41 . . 1 . . . . . . . . 4478 1 621 . 1 1 72 72 LEU HG H 1 1.40 . . 1 . . . . . . . . 4478 1 622 . 1 1 72 72 LEU HD11 H 1 0.61 . . 1 . . . . . . . . 4478 1 623 . 1 1 72 72 LEU HD12 H 1 0.61 . . 1 . . . . . . . . 4478 1 624 . 1 1 72 72 LEU HD13 H 1 0.61 . . 1 . . . . . . . . 4478 1 625 . 1 1 72 72 LEU HD21 H 1 0.50 . . 1 . . . . . . . . 4478 1 626 . 1 1 72 72 LEU HD22 H 1 0.50 . . 1 . . . . . . . . 4478 1 627 . 1 1 72 72 LEU HD23 H 1 0.50 . . 1 . . . . . . . . 4478 1 628 . 1 1 72 72 LEU CG C 13 25.0 . . 1 . . . . . . . . 4478 1 629 . 1 1 72 72 LEU CD1 C 13 24.5 . . 1 . . . . . . . . 4478 1 630 . 1 1 72 72 LEU CD2 C 13 24.0 . . 1 . . . . . . . . 4478 1 631 . 1 1 72 72 LEU N N 15 126.7 . . 1 . . . . . . . . 4478 1 632 . 1 1 73 73 ALA H H 1 8.17 . . 1 . . . . . . . . 4478 1 633 . 1 1 73 73 ALA HA H 1 4.46 . . 1 . . . . . . . . 4478 1 634 . 1 1 73 73 ALA HB1 H 1 1.22 . . 1 . . . . . . . . 4478 1 635 . 1 1 73 73 ALA HB2 H 1 1.22 . . 1 . . . . . . . . 4478 1 636 . 1 1 73 73 ALA HB3 H 1 1.22 . . 1 . . . . . . . . 4478 1 637 . 1 1 73 73 ALA CA C 13 49.4 . . 1 . . . . . . . . 4478 1 638 . 1 1 73 73 ALA CB C 13 16.43 . . 1 . . . . . . . . 4478 1 639 . 1 1 73 73 ALA N N 15 125.6 . . 1 . . . . . . . . 4478 1 640 . 1 1 74 74 LEU H H 1 7.79 . . 1 . . . . . . . . 4478 1 641 . 1 1 74 74 LEU HA H 1 4.47 . . 1 . . . . . . . . 4478 1 642 . 1 1 74 74 LEU HB2 H 1 1.36 . . 2 . . . . . . . . 4478 1 643 . 1 1 74 74 LEU HB3 H 1 1.14 . . 2 . . . . . . . . 4478 1 644 . 1 1 74 74 LEU CA C 13 50.9 . . 1 . . . . . . . . 4478 1 645 . 1 1 74 74 LEU CB C 13 40.7 . . 1 . . . . . . . . 4478 1 646 . 1 1 74 74 LEU N N 15 124.1 . . 1 . . . . . . . . 4478 1 647 . 1 1 75 75 GLY H H 1 8.67 . . 1 . . . . . . . . 4478 1 648 . 1 1 75 75 GLY HA2 H 1 3.53 . . 2 . . . . . . . . 4478 1 649 . 1 1 75 75 GLY HA3 H 1 3.83 . . 2 . . . . . . . . 4478 1 650 . 1 1 75 75 GLY CA C 13 44.1 . . 1 . . . . . . . . 4478 1 651 . 1 1 75 75 GLY N N 15 113.7 . . 1 . . . . . . . . 4478 1 652 . 1 1 76 76 ALA H H 1 8.44 . . 1 . . . . . . . . 4478 1 653 . 1 1 76 76 ALA HA H 1 4.30 . . 1 . . . . . . . . 4478 1 654 . 1 1 76 76 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4478 1 655 . 1 1 76 76 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4478 1 656 . 1 1 76 76 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4478 1 657 . 1 1 76 76 ALA CA C 13 49.6 . . 1 . . . . . . . . 4478 1 658 . 1 1 76 76 ALA CB C 13 16.0 . . 1 . . . . . . . . 4478 1 659 . 1 1 76 76 ALA N N 15 127.2 . . 1 . . . . . . . . 4478 1 660 . 1 1 77 77 GLY H H 1 7.71 . . 1 . . . . . . . . 4478 1 661 . 1 1 77 77 GLY HA2 H 1 4.16 . . 2 . . . . . . . . 4478 1 662 . 1 1 77 77 GLY HA3 H 1 3.78 . . 2 . . . . . . . . 4478 1 663 . 1 1 77 77 GLY CA C 13 41.9 . . 1 . . . . . . . . 4478 1 664 . 1 1 77 77 GLY N N 15 107.2 . . 1 . . . . . . . . 4478 1 665 . 1 1 78 78 SER H H 1 8.18 . . 1 . . . . . . . . 4478 1 666 . 1 1 78 78 SER HA H 1 5.03 . . 1 . . . . . . . . 4478 1 667 . 1 1 78 78 SER HB2 H 1 3.52 . . 1 . . . . . . . . 4478 1 668 . 1 1 78 78 SER HB3 H 1 3.52 . . 1 . . . . . . . . 4478 1 669 . 1 1 78 78 SER CA C 13 54.9 . . 1 . . . . . . . . 4478 1 670 . 1 1 78 78 SER CB C 13 62.9 . . 1 . . . . . . . . 4478 1 671 . 1 1 78 78 SER N N 15 115.4 . . 1 . . . . . . . . 4478 1 672 . 1 1 79 79 ALA H H 1 8.58 . . 1 . . . . . . . . 4478 1 673 . 1 1 79 79 ALA HA H 1 4.53 . . 1 . . . . . . . . 4478 1 674 . 1 1 79 79 ALA HB1 H 1 1.15 . . 1 . . . . . . . . 4478 1 675 . 1 1 79 79 ALA HB2 H 1 1.15 . . 1 . . . . . . . . 4478 1 676 . 1 1 79 79 ALA HB3 H 1 1.15 . . 1 . . . . . . . . 4478 1 677 . 1 1 79 79 ALA CA C 13 50.1 . . 1 . . . . . . . . 4478 1 678 . 1 1 79 79 ALA CB C 13 16.3 . . 1 . . . . . . . . 4478 1 679 . 1 1 79 79 ALA N N 15 124.4 . . 1 . . . . . . . . 4478 1 680 . 1 1 80 80 LEU H H 1 8.04 . . 1 . . . . . . . . 4478 1 681 . 1 1 80 80 LEU HA H 1 4.88 . . 1 . . . . . . . . 4478 1 682 . 1 1 80 80 LEU HB2 H 1 1.46 . . 2 . . . . . . . . 4478 1 683 . 1 1 80 80 LEU HB3 H 1 1.28 . . 2 . . . . . . . . 4478 1 684 . 1 1 80 80 LEU CA C 13 51.8 . . 1 . . . . . . . . 4478 1 685 . 1 1 80 80 LEU CB C 13 41.3 . . 1 . . . . . . . . 4478 1 686 . 1 1 80 80 LEU N N 15 122.6 . . 1 . . . . . . . . 4478 1 687 . 1 1 81 81 LEU H H 1 8.89 . . 1 . . . . . . . . 4478 1 688 . 1 1 81 81 LEU HA H 1 4.67 . . 1 . . . . . . . . 4478 1 689 . 1 1 81 81 LEU HB2 H 1 1.42 . . 2 . . . . . . . . 4478 1 690 . 1 1 81 81 LEU HB3 H 1 1.24 . . 2 . . . . . . . . 4478 1 691 . 1 1 81 81 LEU HG H 1 1.32 . . 1 . . . . . . . . 4478 1 692 . 1 1 81 81 LEU HD11 H 1 0.64 . . 1 . . . . . . . . 4478 1 693 . 1 1 81 81 LEU HD12 H 1 0.64 . . 1 . . . . . . . . 4478 1 694 . 1 1 81 81 LEU HD13 H 1 0.64 . . 1 . . . . . . . . 4478 1 695 . 1 1 81 81 LEU HD21 H 1 0.61 . . 1 . . . . . . . . 4478 1 696 . 1 1 81 81 LEU HD22 H 1 0.61 . . 1 . . . . . . . . 4478 1 697 . 1 1 81 81 LEU HD23 H 1 0.61 . . 1 . . . . . . . . 4478 1 698 . 1 1 81 81 LEU CA C 13 50.5 . . 1 . . . . . . . . 4478 1 699 . 1 1 81 81 LEU CB C 13 43.5 . . 1 . . . . . . . . 4478 1 700 . 1 1 81 81 LEU CG C 13 24.0 . . 1 . . . . . . . . 4478 1 701 . 1 1 81 81 LEU CD1 C 13 23.2 . . 1 . . . . . . . . 4478 1 702 . 1 1 81 81 LEU CD2 C 13 22.8 . . 1 . . . . . . . . 4478 1 703 . 1 1 81 81 LEU N N 15 126.8 . . 1 . . . . . . . . 4478 1 704 . 1 1 82 82 GLY H H 1 8.15 . . 1 . . . . . . . . 4478 1 705 . 1 1 82 82 GLY HA2 H 1 5.16 . . 2 . . . . . . . . 4478 1 706 . 1 1 82 82 GLY HA3 H 1 3.52 . . 2 . . . . . . . . 4478 1 707 . 1 1 82 82 GLY CA C 13 42.5 . . 1 . . . . . . . . 4478 1 708 . 1 1 82 82 GLY N N 15 106.1 . . 1 . . . . . . . . 4478 1 709 . 1 1 83 83 THR H H 1 8.37 . . 1 . . . . . . . . 4478 1 710 . 1 1 83 83 THR HA H 1 4.53 . . 1 . . . . . . . . 4478 1 711 . 1 1 83 83 THR HB H 1 4.15 . . 1 . . . . . . . . 4478 1 712 . 1 1 83 83 THR HG21 H 1 0.96 . . 1 . . . . . . . . 4478 1 713 . 1 1 83 83 THR HG22 H 1 0.96 . . 1 . . . . . . . . 4478 1 714 . 1 1 83 83 THR HG23 H 1 0.96 . . 1 . . . . . . . . 4478 1 715 . 1 1 83 83 THR CA C 13 57.3 . . 1 . . . . . . . . 4478 1 716 . 1 1 83 83 THR CB C 13 70.0 . . 1 . . . . . . . . 4478 1 717 . 1 1 83 83 THR CG2 C 13 16.4 . . 1 . . . . . . . . 4478 1 718 . 1 1 83 83 THR N N 15 113.5 . . 1 . . . . . . . . 4478 1 719 . 1 1 84 84 ASP H H 1 7.98 . . 1 . . . . . . . . 4478 1 720 . 1 1 84 84 ASP HA H 1 5.98 . . 1 . . . . . . . . 4478 1 721 . 1 1 84 84 ASP HB2 H 1 2.47 . . 1 . . . . . . . . 4478 1 722 . 1 1 84 84 ASP HB3 H 1 2.47 . . 1 . . . . . . . . 4478 1 723 . 1 1 84 84 ASP CA C 13 50.5 . . 1 . . . . . . . . 4478 1 724 . 1 1 84 84 ASP CB C 13 40.8 . . 1 . . . . . . . . 4478 1 725 . 1 1 84 84 ASP N N 15 121.8 . . 1 . . . . . . . . 4478 1 726 . 1 1 85 85 VAL H H 1 9.19 . . 1 . . . . . . . . 4478 1 727 . 1 1 85 85 VAL HA H 1 4.59 . . 1 . . . . . . . . 4478 1 728 . 1 1 85 85 VAL HB H 1 1.97 . . 1 . . . . . . . . 4478 1 729 . 1 1 85 85 VAL HG11 H 1 0.93 . . 1 . . . . . . . . 4478 1 730 . 1 1 85 85 VAL HG12 H 1 0.93 . . 1 . . . . . . . . 4478 1 731 . 1 1 85 85 VAL HG13 H 1 0.93 . . 1 . . . . . . . . 4478 1 732 . 1 1 85 85 VAL HG21 H 1 0.86 . . 1 . . . . . . . . 4478 1 733 . 1 1 85 85 VAL HG22 H 1 0.86 . . 1 . . . . . . . . 4478 1 734 . 1 1 85 85 VAL HG23 H 1 0.86 . . 1 . . . . . . . . 4478 1 735 . 1 1 85 85 VAL CA C 13 57.0 . . 1 . . . . . . . . 4478 1 736 . 1 1 85 85 VAL CB C 13 32.9 . . 1 . . . . . . . . 4478 1 737 . 1 1 85 85 VAL CG1 C 13 19.4 . . 1 . . . . . . . . 4478 1 738 . 1 1 85 85 VAL CG2 C 13 18.0 . . 1 . . . . . . . . 4478 1 739 . 1 1 85 85 VAL N N 15 117.5 . . 1 . . . . . . . . 4478 1 740 . 1 1 86 86 GLN H H 1 8.64 . . 1 . . . . . . . . 4478 1 741 . 1 1 86 86 GLN HA H 1 4.75 . . 1 . . . . . . . . 4478 1 742 . 1 1 86 86 GLN HB2 H 1 1.84 . . 1 . . . . . . . . 4478 1 743 . 1 1 86 86 GLN HB3 H 1 1.84 . . 1 . . . . . . . . 4478 1 744 . 1 1 86 86 GLN HG2 H 1 2.05 . . 1 . . . . . . . . 4478 1 745 . 1 1 86 86 GLN HG3 H 1 2.05 . . 1 . . . . . . . . 4478 1 746 . 1 1 86 86 GLN CA C 13 51.9 . . 1 . . . . . . . . 4478 1 747 . 1 1 86 86 GLN CB C 13 28.1 . . 1 . . . . . . . . 4478 1 748 . 1 1 86 86 GLN N N 15 125.0 . . 1 . . . . . . . . 4478 1 749 . 1 1 87 87 VAL H H 1 9.10 . . 1 . . . . . . . . 4478 1 750 . 1 1 87 87 VAL HA H 1 4.60 . . 1 . . . . . . . . 4478 1 751 . 1 1 87 87 VAL HB H 1 2.12 . . 1 . . . . . . . . 4478 1 752 . 1 1 87 87 VAL HG11 H 1 0.63 . . 1 . . . . . . . . 4478 1 753 . 1 1 87 87 VAL HG12 H 1 0.63 . . 1 . . . . . . . . 4478 1 754 . 1 1 87 87 VAL HG13 H 1 0.63 . . 1 . . . . . . . . 4478 1 755 . 1 1 87 87 VAL HG21 H 1 0.55 . . 1 . . . . . . . . 4478 1 756 . 1 1 87 87 VAL HG22 H 1 0.55 . . 1 . . . . . . . . 4478 1 757 . 1 1 87 87 VAL HG23 H 1 0.55 . . 1 . . . . . . . . 4478 1 758 . 1 1 87 87 VAL CA C 13 58.0 . . 1 . . . . . . . . 4478 1 759 . 1 1 87 87 VAL CB C 13 30.6 . . 1 . . . . . . . . 4478 1 760 . 1 1 87 87 VAL CG1 C 13 19.0 . . 1 . . . . . . . . 4478 1 761 . 1 1 87 87 VAL N N 15 126.6 . . 1 . . . . . . . . 4478 1 762 . 1 1 88 88 GLU H H 1 9.26 . . 1 . . . . . . . . 4478 1 763 . 1 1 88 88 GLU HA H 1 4.60 . . 1 . . . . . . . . 4478 1 764 . 1 1 88 88 GLU HB2 H 1 2.04 . . 2 . . . . . . . . 4478 1 765 . 1 1 88 88 GLU HB3 H 1 1.85 . . 2 . . . . . . . . 4478 1 766 . 1 1 88 88 GLU HG2 H 1 2.27 . . 1 . . . . . . . . 4478 1 767 . 1 1 88 88 GLU HG3 H 1 2.27 . . 1 . . . . . . . . 4478 1 768 . 1 1 88 88 GLU CA C 13 51.5 . . 1 . . . . . . . . 4478 1 769 . 1 1 88 88 GLU CB C 13 28.3 . . 1 . . . . . . . . 4478 1 770 . 1 1 88 88 GLU N N 15 127.3 . . 1 . . . . . . . . 4478 1 771 . 1 1 89 89 ALA H H 1 8.61 . . 1 . . . . . . . . 4478 1 772 . 1 1 89 89 ALA HA H 1 4.16 . . 1 . . . . . . . . 4478 1 773 . 1 1 89 89 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4478 1 774 . 1 1 89 89 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4478 1 775 . 1 1 89 89 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4478 1 776 . 1 1 89 89 ALA N N 15 123.4 . . 1 . . . . . . . . 4478 1 stop_ save_