data_10138 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10138 _Entry.Title ; Solution structure of the N-terminal domain of RimM from Thermus thermophilus HB8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-04 _Entry.Accession_date 2007-06-06 _Entry.Last_release_date 2008-06-12 _Entry.Original_release_date 2008-06-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 S. Suzuki . . . 10138 2 E. Matsumoto . . . 10138 3 A. Tatsuguchi . . . 10138 4 M. Kawazoe . . . 10138 5 T. Kaminishi . . . 10138 6 C. Takemoto . . . 10138 7 M. Shirouzu . . . 10138 8 Y. Muto . . . 10138 9 S. Yokoyama . . . 10138 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10138 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10138 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 388 10138 '15N chemical shifts' 82 10138 '1H chemical shifts' 623 10138 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 . . 2008-06-12 2007-06-04 original author . 10138 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 10139 'full-length RimM (residues 1-162) in free state' 10138 BMRB 10140 'full-length RimM and ribosomal protein S19 (rS19)' 10138 PDB 2DOG 'BMRB Entry Tracking System' 10138 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10138 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17616598 _Citation.Full_citation . _Citation.Title 'Structural characterization of the ribosome maturation protein, RimM' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bacteriol.' _Citation.Journal_name_full . _Citation.Journal_volume 189 _Citation.Journal_issue 17 _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 . _Citation.Page_last 6397 _Citation.Year 6406 _Citation.Details 2007 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 S. Suzuki . . . 10138 1 2 A. Tatsuguchi . . . 10138 1 3 E. Matsumoto . . . 10138 1 4 M. Kawazoe . . . 10138 1 5 T. Kaminishi . . . 10138 1 6 M. Shirouzu . . . 10138 1 7 Y. Muto . . . 10138 1 8 C. Takemoto . . . 10138 1 9 S. Yokoyama . . . 10138 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10138 _Assembly.ID 1 _Assembly.Name 'Probable 16S rRNA-processing protein rimM' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _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 'protein monomer' 10138 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 'Probable 16S rRNA-processing protein rimM' 1 $entity_1 . . yes native no no . . . 10138 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 2DOG . . . . . . 10138 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10138 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RIEF fold' _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 ; MRLVEIGRFGAPYALKGGLR FRGEPVVLHLERVYVEGHGW RAIEDLYRVGEELVVHLAGV TDRTLAEALVGLRVYAEVAD LPPLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 10139 . RimM . . . . . 100.00 162 100.00 100.00 1.63e-48 . . . . 10138 1 2 no BMRB 10140 . RimM . . . . . 100.00 162 100.00 100.00 1.63e-48 . . . . 10138 1 3 no PDB 2DOG . "Solution Structure Of The N-Terminal Domain Of Rimm From Thermus Thermophilus Hb8" . . . . . 100.00 85 100.00 100.00 1.54e-49 . . . . 10138 1 4 no PDB 2DYI . "Crystal Structure Of 16s Ribosomal Rna Processing Protein Rimm From Thermus Thermophilus Hb8" . . . . . 100.00 162 100.00 100.00 1.63e-48 . . . . 10138 1 5 no PDB 3A1P . "Structure Of Ribosome Maturation Protein Rimm And Ribosomal Protein S19" . . . . . 100.00 162 100.00 100.00 1.63e-48 . . . . 10138 1 6 no DBJ BAD70856 . "16S rRNA processing protein RimM [Thermus thermophilus HB8]" . . . . . 100.00 162 100.00 100.00 1.63e-48 . . . . 10138 1 7 no GB AAS81019 . "16S rRNA processing protein rimM [Thermus thermophilus HB27]" . . . . . 100.00 162 100.00 100.00 2.00e-48 . . . . 10138 1 8 no GB AEG33454 . "16S rRNA processing protein RimM [Thermus thermophilus SG0.5JP17-16]" . . . . . 100.00 162 100.00 100.00 2.00e-48 . . . . 10138 1 9 no GB AFH38925 . "16S rRNA processing protein RimM [Thermus thermophilus JL-18]" . . . . . 100.00 162 100.00 100.00 2.00e-48 . . . . 10138 1 10 no GB EIA39096 . "16S rRNA-processing protein RimM [Thermus sp. RL]" . . . . . 100.00 162 100.00 100.00 2.00e-48 . . . . 10138 1 11 no REF WP_008632437 . "MULTISPECIES: ribosome maturation factor RimM [Thermus]" . . . . . 100.00 162 100.00 100.00 2.00e-48 . . . . 10138 1 12 no REF WP_011228392 . "ribosome maturation factor RimM [Thermus thermophilus]" . . . . . 100.00 162 100.00 100.00 1.63e-48 . . . . 10138 1 13 no REF YP_144299 . "16S rRNA-processing protein RimM [Thermus thermophilus HB8]" . . . . . 100.00 162 100.00 100.00 1.63e-48 . . . . 10138 1 14 no SP Q5SJH5 . "RecName: Full=Ribosome maturation factor RimM" . . . . . 100.00 162 100.00 100.00 1.63e-48 . . . . 10138 1 15 no SP Q72JU7 . "RecName: Full=Ribosome maturation factor RimM" . . . . . 100.00 162 100.00 100.00 2.00e-48 . . . . 10138 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RIEF fold' . 10138 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 10138 1 2 . ARG . 10138 1 3 . LEU . 10138 1 4 . VAL . 10138 1 5 . GLU . 10138 1 6 . ILE . 10138 1 7 . GLY . 10138 1 8 . ARG . 10138 1 9 . PHE . 10138 1 10 . GLY . 10138 1 11 . ALA . 10138 1 12 . PRO . 10138 1 13 . TYR . 10138 1 14 . ALA . 10138 1 15 . LEU . 10138 1 16 . LYS . 10138 1 17 . GLY . 10138 1 18 . GLY . 10138 1 19 . LEU . 10138 1 20 . ARG . 10138 1 21 . PHE . 10138 1 22 . ARG . 10138 1 23 . GLY . 10138 1 24 . GLU . 10138 1 25 . PRO . 10138 1 26 . VAL . 10138 1 27 . VAL . 10138 1 28 . LEU . 10138 1 29 . HIS . 10138 1 30 . LEU . 10138 1 31 . GLU . 10138 1 32 . ARG . 10138 1 33 . VAL . 10138 1 34 . TYR . 10138 1 35 . VAL . 10138 1 36 . GLU . 10138 1 37 . GLY . 10138 1 38 . HIS . 10138 1 39 . GLY . 10138 1 40 . TRP . 10138 1 41 . ARG . 10138 1 42 . ALA . 10138 1 43 . ILE . 10138 1 44 . GLU . 10138 1 45 . ASP . 10138 1 46 . LEU . 10138 1 47 . TYR . 10138 1 48 . ARG . 10138 1 49 . VAL . 10138 1 50 . GLY . 10138 1 51 . GLU . 10138 1 52 . GLU . 10138 1 53 . LEU . 10138 1 54 . VAL . 10138 1 55 . VAL . 10138 1 56 . HIS . 10138 1 57 . LEU . 10138 1 58 . ALA . 10138 1 59 . GLY . 10138 1 60 . VAL . 10138 1 61 . THR . 10138 1 62 . ASP . 10138 1 63 . ARG . 10138 1 64 . THR . 10138 1 65 . LEU . 10138 1 66 . ALA . 10138 1 67 . GLU . 10138 1 68 . ALA . 10138 1 69 . LEU . 10138 1 70 . VAL . 10138 1 71 . GLY . 10138 1 72 . LEU . 10138 1 73 . ARG . 10138 1 74 . VAL . 10138 1 75 . TYR . 10138 1 76 . ALA . 10138 1 77 . GLU . 10138 1 78 . VAL . 10138 1 79 . ALA . 10138 1 80 . ASP . 10138 1 81 . LEU . 10138 1 82 . PRO . 10138 1 83 . PRO . 10138 1 84 . LEU . 10138 1 85 . GLU . 10138 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 10138 1 . ARG 2 2 10138 1 . LEU 3 3 10138 1 . VAL 4 4 10138 1 . GLU 5 5 10138 1 . ILE 6 6 10138 1 . GLY 7 7 10138 1 . ARG 8 8 10138 1 . PHE 9 9 10138 1 . GLY 10 10 10138 1 . ALA 11 11 10138 1 . PRO 12 12 10138 1 . TYR 13 13 10138 1 . ALA 14 14 10138 1 . LEU 15 15 10138 1 . LYS 16 16 10138 1 . GLY 17 17 10138 1 . GLY 18 18 10138 1 . LEU 19 19 10138 1 . ARG 20 20 10138 1 . PHE 21 21 10138 1 . ARG 22 22 10138 1 . GLY 23 23 10138 1 . GLU 24 24 10138 1 . PRO 25 25 10138 1 . VAL 26 26 10138 1 . VAL 27 27 10138 1 . LEU 28 28 10138 1 . HIS 29 29 10138 1 . LEU 30 30 10138 1 . GLU 31 31 10138 1 . ARG 32 32 10138 1 . VAL 33 33 10138 1 . TYR 34 34 10138 1 . VAL 35 35 10138 1 . GLU 36 36 10138 1 . GLY 37 37 10138 1 . HIS 38 38 10138 1 . GLY 39 39 10138 1 . TRP 40 40 10138 1 . ARG 41 41 10138 1 . ALA 42 42 10138 1 . ILE 43 43 10138 1 . GLU 44 44 10138 1 . ASP 45 45 10138 1 . LEU 46 46 10138 1 . TYR 47 47 10138 1 . ARG 48 48 10138 1 . VAL 49 49 10138 1 . GLY 50 50 10138 1 . GLU 51 51 10138 1 . GLU 52 52 10138 1 . LEU 53 53 10138 1 . VAL 54 54 10138 1 . VAL 55 55 10138 1 . HIS 56 56 10138 1 . LEU 57 57 10138 1 . ALA 58 58 10138 1 . GLY 59 59 10138 1 . VAL 60 60 10138 1 . THR 61 61 10138 1 . ASP 62 62 10138 1 . ARG 63 63 10138 1 . THR 64 64 10138 1 . LEU 65 65 10138 1 . ALA 66 66 10138 1 . GLU 67 67 10138 1 . ALA 68 68 10138 1 . LEU 69 69 10138 1 . VAL 70 70 10138 1 . GLY 71 71 10138 1 . LEU 72 72 10138 1 . ARG 73 73 10138 1 . VAL 74 74 10138 1 . TYR 75 75 10138 1 . ALA 76 76 10138 1 . GLU 77 77 10138 1 . VAL 78 78 10138 1 . ALA 79 79 10138 1 . ASP 80 80 10138 1 . LEU 81 81 10138 1 . PRO 82 82 10138 1 . PRO 83 83 10138 1 . LEU 84 84 10138 1 . GLU 85 85 10138 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 10138 _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 $entity_1 . 300852 . . . 'Thermus thermophilus' . . Bacteria . Thermus thermophilus HB8 . . . . . . . . . . . . . . . . . . . . 10138 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 10138 _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 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10138 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10138 _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 'RIEF fold' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 10138 1 2 'sodium phosphate' . . . . . . buffer 20 . . mM . . . . 10138 1 3 D2O . . . . . . solvent 10 . . % . . . . 10138 1 4 H2O . . . . . . solvent 90 . . % . . . . 10138 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10138 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10138 1 pH 6.5 0.05 pH 10138 1 pressure 1 0.001 atm 10138 1 temperature 298 0.1 K 10138 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10138 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10138 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10138 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10138 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10138 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10138 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10138 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10138 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10138 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10138 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10138 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10138 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10138 _Software.ID 5 _Software.Name Olivia _Software.Version 1.10.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yokochi, M.' . . 10138 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10138 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 10138 _Software.ID 6 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10138 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10138 6 'structure solution' 10138 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 10138 _Software.ID 7 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Goddard, T.D.' . . 10138 7 'Kneller, D.G.' . . 10138 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10138 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10138 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10138 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10138 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10138 1 stop_ save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10138 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10138 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10138 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10138 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10138 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10138 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10138 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10138 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10138 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.179 0.030 . 1 . . . . 1 MET HA . 10138 1 2 . 1 1 1 1 MET HB2 H 1 2.479 0.030 . 2 . . . . 1 MET HB2 . 10138 1 3 . 1 1 1 1 MET HB3 H 1 2.585 0.030 . 2 . . . . 1 MET HB3 . 10138 1 4 . 1 1 1 1 MET HG2 H 1 2.110 0.030 . 1 . . . . 1 MET HG2 . 10138 1 5 . 1 1 1 1 MET HG3 H 1 2.110 0.030 . 1 . . . . 1 MET HG3 . 10138 1 6 . 1 1 1 1 MET HE1 H 1 1.966 0.030 . 1 . . . . 1 MET HE . 10138 1 7 . 1 1 1 1 MET HE2 H 1 1.966 0.030 . 1 . . . . 1 MET HE . 10138 1 8 . 1 1 1 1 MET HE3 H 1 1.966 0.030 . 1 . . . . 1 MET HE . 10138 1 9 . 1 1 1 1 MET CA C 13 55.230 0.300 . 1 . . . . 1 MET CA . 10138 1 10 . 1 1 1 1 MET CB C 13 31.237 0.300 . 1 . . . . 1 MET CB . 10138 1 11 . 1 1 1 1 MET CG C 13 33.902 0.300 . 1 . . . . 1 MET CG . 10138 1 12 . 1 1 1 1 MET CE C 13 16.953 0.300 . 1 . . . . 1 MET CE . 10138 1 13 . 1 1 2 2 ARG HA H 1 4.525 0.030 . 1 . . . . 2 ARG HA . 10138 1 14 . 1 1 2 2 ARG HB2 H 1 1.799 0.030 . 1 . . . . 2 ARG HB2 . 10138 1 15 . 1 1 2 2 ARG HB3 H 1 1.799 0.030 . 1 . . . . 2 ARG HB3 . 10138 1 16 . 1 1 2 2 ARG HG2 H 1 1.556 0.030 . 1 . . . . 2 ARG HG2 . 10138 1 17 . 1 1 2 2 ARG HG3 H 1 1.556 0.030 . 1 . . . . 2 ARG HG3 . 10138 1 18 . 1 1 2 2 ARG HD2 H 1 3.194 0.030 . 1 . . . . 2 ARG HD2 . 10138 1 19 . 1 1 2 2 ARG HD3 H 1 3.194 0.030 . 1 . . . . 2 ARG HD3 . 10138 1 20 . 1 1 2 2 ARG C C 13 173.541 0.300 . 1 . . . . 2 ARG C . 10138 1 21 . 1 1 2 2 ARG CA C 13 55.736 0.300 . 1 . . . . 2 ARG CA . 10138 1 22 . 1 1 2 2 ARG CB C 13 32.226 0.300 . 1 . . . . 2 ARG CB . 10138 1 23 . 1 1 2 2 ARG CG C 13 27.050 0.300 . 1 . . . . 2 ARG CG . 10138 1 24 . 1 1 2 2 ARG CD C 13 43.714 0.300 . 1 . . . . 2 ARG CD . 10138 1 25 . 1 1 3 3 LEU H H 1 8.335 0.030 . 1 . . . . 3 LEU H . 10138 1 26 . 1 1 3 3 LEU HA H 1 5.135 0.030 . 1 . . . . 3 LEU HA . 10138 1 27 . 1 1 3 3 LEU HB2 H 1 1.427 0.030 . 2 . . . . 3 LEU HB2 . 10138 1 28 . 1 1 3 3 LEU HB3 H 1 1.080 0.030 . 2 . . . . 3 LEU HB3 . 10138 1 29 . 1 1 3 3 LEU HG H 1 1.249 0.030 . 1 . . . . 3 LEU HG . 10138 1 30 . 1 1 3 3 LEU HD11 H 1 0.392 0.030 . 1 . . . . 3 LEU HD1 . 10138 1 31 . 1 1 3 3 LEU HD12 H 1 0.392 0.030 . 1 . . . . 3 LEU HD1 . 10138 1 32 . 1 1 3 3 LEU HD13 H 1 0.392 0.030 . 1 . . . . 3 LEU HD1 . 10138 1 33 . 1 1 3 3 LEU HD21 H 1 -0.170 0.030 . 1 . . . . 3 LEU HD2 . 10138 1 34 . 1 1 3 3 LEU HD22 H 1 -0.170 0.030 . 1 . . . . 3 LEU HD2 . 10138 1 35 . 1 1 3 3 LEU HD23 H 1 -0.170 0.030 . 1 . . . . 3 LEU HD2 . 10138 1 36 . 1 1 3 3 LEU C C 13 177.572 0.300 . 1 . . . . 3 LEU C . 10138 1 37 . 1 1 3 3 LEU CA C 13 53.731 0.300 . 1 . . . . 3 LEU CA . 10138 1 38 . 1 1 3 3 LEU CB C 13 43.822 0.300 . 1 . . . . 3 LEU CB . 10138 1 39 . 1 1 3 3 LEU CG C 13 26.672 0.300 . 1 . . . . 3 LEU CG . 10138 1 40 . 1 1 3 3 LEU CD1 C 13 23.253 0.300 . 2 . . . . 3 LEU CD1 . 10138 1 41 . 1 1 3 3 LEU CD2 C 13 24.334 0.300 . 2 . . . . 3 LEU CD2 . 10138 1 42 . 1 1 3 3 LEU N N 15 123.272 0.300 . 1 . . . . 3 LEU N . 10138 1 43 . 1 1 4 4 VAL H H 1 9.265 0.030 . 1 . . . . 4 VAL H . 10138 1 44 . 1 1 4 4 VAL HA H 1 4.590 0.030 . 1 . . . . 4 VAL HA . 10138 1 45 . 1 1 4 4 VAL HB H 1 1.986 0.030 . 1 . . . . 4 VAL HB . 10138 1 46 . 1 1 4 4 VAL HG11 H 1 0.900 0.030 . 1 . . . . 4 VAL HG1 . 10138 1 47 . 1 1 4 4 VAL HG12 H 1 0.900 0.030 . 1 . . . . 4 VAL HG1 . 10138 1 48 . 1 1 4 4 VAL HG13 H 1 0.900 0.030 . 1 . . . . 4 VAL HG1 . 10138 1 49 . 1 1 4 4 VAL HG21 H 1 0.922 0.030 . 1 . . . . 4 VAL HG2 . 10138 1 50 . 1 1 4 4 VAL HG22 H 1 0.922 0.030 . 1 . . . . 4 VAL HG2 . 10138 1 51 . 1 1 4 4 VAL HG23 H 1 0.922 0.030 . 1 . . . . 4 VAL HG2 . 10138 1 52 . 1 1 4 4 VAL C C 13 174.511 0.300 . 1 . . . . 4 VAL C . 10138 1 53 . 1 1 4 4 VAL CA C 13 59.946 0.300 . 1 . . . . 4 VAL CA . 10138 1 54 . 1 1 4 4 VAL CB C 13 35.328 0.300 . 1 . . . . 4 VAL CB . 10138 1 55 . 1 1 4 4 VAL CG1 C 13 20.885 0.300 . 2 . . . . 4 VAL CG1 . 10138 1 56 . 1 1 4 4 VAL CG2 C 13 20.487 0.300 . 2 . . . . 4 VAL CG2 . 10138 1 57 . 1 1 4 4 VAL N N 15 120.529 0.300 . 1 . . . . 4 VAL N . 10138 1 58 . 1 1 5 5 GLU H H 1 8.984 0.030 . 1 . . . . 5 GLU H . 10138 1 59 . 1 1 5 5 GLU HA H 1 3.770 0.030 . 1 . . . . 5 GLU HA . 10138 1 60 . 1 1 5 5 GLU HB2 H 1 1.878 0.030 . 1 . . . . 5 GLU HB2 . 10138 1 61 . 1 1 5 5 GLU HB3 H 1 1.878 0.030 . 1 . . . . 5 GLU HB3 . 10138 1 62 . 1 1 5 5 GLU HG2 H 1 1.848 0.030 . 2 . . . . 5 GLU HG2 . 10138 1 63 . 1 1 5 5 GLU HG3 H 1 1.708 0.030 . 2 . . . . 5 GLU HG3 . 10138 1 64 . 1 1 5 5 GLU C C 13 176.898 0.300 . 1 . . . . 5 GLU C . 10138 1 65 . 1 1 5 5 GLU CA C 13 57.299 0.300 . 1 . . . . 5 GLU CA . 10138 1 66 . 1 1 5 5 GLU CB C 13 30.322 0.300 . 1 . . . . 5 GLU CB . 10138 1 67 . 1 1 5 5 GLU CG C 13 35.890 0.300 . 1 . . . . 5 GLU CG . 10138 1 68 . 1 1 5 5 GLU N N 15 128.748 0.300 . 1 . . . . 5 GLU N . 10138 1 69 . 1 1 6 6 ILE H H 1 9.180 0.030 . 1 . . . . 6 ILE H . 10138 1 70 . 1 1 6 6 ILE HA H 1 4.721 0.030 . 1 . . . . 6 ILE HA . 10138 1 71 . 1 1 6 6 ILE HB H 1 2.033 0.030 . 1 . . . . 6 ILE HB . 10138 1 72 . 1 1 6 6 ILE HG12 H 1 1.120 0.030 . 2 . . . . 6 ILE HG12 . 10138 1 73 . 1 1 6 6 ILE HG13 H 1 0.794 0.030 . 2 . . . . 6 ILE HG13 . 10138 1 74 . 1 1 6 6 ILE HG21 H 1 0.907 0.030 . 1 . . . . 6 ILE HG2 . 10138 1 75 . 1 1 6 6 ILE HG22 H 1 0.907 0.030 . 1 . . . . 6 ILE HG2 . 10138 1 76 . 1 1 6 6 ILE HG23 H 1 0.907 0.030 . 1 . . . . 6 ILE HG2 . 10138 1 77 . 1 1 6 6 ILE HD11 H 1 0.639 0.030 . 1 . . . . 6 ILE HD1 . 10138 1 78 . 1 1 6 6 ILE HD12 H 1 0.639 0.030 . 1 . . . . 6 ILE HD1 . 10138 1 79 . 1 1 6 6 ILE HD13 H 1 0.639 0.030 . 1 . . . . 6 ILE HD1 . 10138 1 80 . 1 1 6 6 ILE C C 13 174.495 0.300 . 1 . . . . 6 ILE C . 10138 1 81 . 1 1 6 6 ILE CA C 13 61.078 0.300 . 1 . . . . 6 ILE CA . 10138 1 82 . 1 1 6 6 ILE CB C 13 41.163 0.300 . 1 . . . . 6 ILE CB . 10138 1 83 . 1 1 6 6 ILE CG1 C 13 26.487 0.300 . 1 . . . . 6 ILE CG1 . 10138 1 84 . 1 1 6 6 ILE CG2 C 13 18.323 0.300 . 1 . . . . 6 ILE CG2 . 10138 1 85 . 1 1 6 6 ILE CD1 C 13 15.271 0.300 . 1 . . . . 6 ILE CD1 . 10138 1 86 . 1 1 6 6 ILE N N 15 119.263 0.300 . 1 . . . . 6 ILE N . 10138 1 87 . 1 1 7 7 GLY H H 1 7.485 0.030 . 1 . . . . 7 GLY H . 10138 1 88 . 1 1 7 7 GLY HA2 H 1 3.986 0.030 . 2 . . . . 7 GLY HA2 . 10138 1 89 . 1 1 7 7 GLY HA3 H 1 4.112 0.030 . 2 . . . . 7 GLY HA3 . 10138 1 90 . 1 1 7 7 GLY C C 13 170.628 0.300 . 1 . . . . 7 GLY C . 10138 1 91 . 1 1 7 7 GLY CA C 13 46.888 0.300 . 1 . . . . 7 GLY CA . 10138 1 92 . 1 1 7 7 GLY N N 15 108.438 0.300 . 1 . . . . 7 GLY N . 10138 1 93 . 1 1 8 8 ARG H H 1 7.952 0.030 . 1 . . . . 8 ARG H . 10138 1 94 . 1 1 8 8 ARG HA H 1 5.030 0.030 . 1 . . . . 8 ARG HA . 10138 1 95 . 1 1 8 8 ARG HB2 H 1 1.418 0.030 . 2 . . . . 8 ARG HB2 . 10138 1 96 . 1 1 8 8 ARG HB3 H 1 1.472 0.030 . 2 . . . . 8 ARG HB3 . 10138 1 97 . 1 1 8 8 ARG HG2 H 1 1.418 0.030 . 2 . . . . 8 ARG HG2 . 10138 1 98 . 1 1 8 8 ARG HG3 H 1 1.371 0.030 . 2 . . . . 8 ARG HG3 . 10138 1 99 . 1 1 8 8 ARG HD2 H 1 2.975 0.030 . 2 . . . . 8 ARG HD2 . 10138 1 100 . 1 1 8 8 ARG HD3 H 1 3.038 0.030 . 2 . . . . 8 ARG HD3 . 10138 1 101 . 1 1 8 8 ARG C C 13 175.367 0.300 . 1 . . . . 8 ARG C . 10138 1 102 . 1 1 8 8 ARG CA C 13 54.258 0.300 . 1 . . . . 8 ARG CA . 10138 1 103 . 1 1 8 8 ARG CB C 13 34.989 0.300 . 1 . . . . 8 ARG CB . 10138 1 104 . 1 1 8 8 ARG CG C 13 27.227 0.300 . 1 . . . . 8 ARG CG . 10138 1 105 . 1 1 8 8 ARG CD C 13 43.708 0.300 . 1 . . . . 8 ARG CD . 10138 1 106 . 1 1 8 8 ARG N N 15 118.085 0.300 . 1 . . . . 8 ARG N . 10138 1 107 . 1 1 9 9 PHE H H 1 8.105 0.030 . 1 . . . . 9 PHE H . 10138 1 108 . 1 1 9 9 PHE HA H 1 5.358 0.030 . 1 . . . . 9 PHE HA . 10138 1 109 . 1 1 9 9 PHE HB2 H 1 3.265 0.030 . 2 . . . . 9 PHE HB2 . 10138 1 110 . 1 1 9 9 PHE HB3 H 1 3.393 0.030 . 2 . . . . 9 PHE HB3 . 10138 1 111 . 1 1 9 9 PHE HD1 H 1 7.490 0.030 . 1 . . . . 9 PHE HD1 . 10138 1 112 . 1 1 9 9 PHE HD2 H 1 7.490 0.030 . 1 . . . . 9 PHE HD2 . 10138 1 113 . 1 1 9 9 PHE HE1 H 1 7.047 0.030 . 1 . . . . 9 PHE HE1 . 10138 1 114 . 1 1 9 9 PHE HE2 H 1 7.047 0.030 . 1 . . . . 9 PHE HE2 . 10138 1 115 . 1 1 9 9 PHE HZ H 1 6.856 0.030 . 1 . . . . 9 PHE HZ . 10138 1 116 . 1 1 9 9 PHE C C 13 178.971 0.300 . 1 . . . . 9 PHE C . 10138 1 117 . 1 1 9 9 PHE CA C 13 58.519 0.300 . 1 . . . . 9 PHE CA . 10138 1 118 . 1 1 9 9 PHE CB C 13 39.587 0.300 . 1 . . . . 9 PHE CB . 10138 1 119 . 1 1 9 9 PHE CD1 C 13 132.017 0.300 . 1 . . . . 9 PHE CD1 . 10138 1 120 . 1 1 9 9 PHE CD2 C 13 132.017 0.300 . 1 . . . . 9 PHE CD2 . 10138 1 121 . 1 1 9 9 PHE CE1 C 13 130.411 0.300 . 1 . . . . 9 PHE CE1 . 10138 1 122 . 1 1 9 9 PHE CE2 C 13 130.411 0.300 . 1 . . . . 9 PHE CE2 . 10138 1 123 . 1 1 9 9 PHE CZ C 13 128.649 0.300 . 1 . . . . 9 PHE CZ . 10138 1 124 . 1 1 9 9 PHE N N 15 119.896 0.300 . 1 . . . . 9 PHE N . 10138 1 125 . 1 1 10 10 GLY H H 1 9.138 0.030 . 1 . . . . 10 GLY H . 10138 1 126 . 1 1 10 10 GLY HA2 H 1 4.408 0.030 . 2 . . . . 10 GLY HA2 . 10138 1 127 . 1 1 10 10 GLY HA3 H 1 3.441 0.030 . 2 . . . . 10 GLY HA3 . 10138 1 128 . 1 1 10 10 GLY C C 13 170.611 0.300 . 1 . . . . 10 GLY C . 10138 1 129 . 1 1 10 10 GLY CA C 13 43.514 0.300 . 1 . . . . 10 GLY CA . 10138 1 130 . 1 1 10 10 GLY N N 15 114.290 0.300 . 1 . . . . 10 GLY N . 10138 1 131 . 1 1 11 11 ALA H H 1 7.992 0.030 . 1 . . . . 11 ALA H . 10138 1 132 . 1 1 11 11 ALA HA H 1 4.484 0.030 . 1 . . . . 11 ALA HA . 10138 1 133 . 1 1 11 11 ALA HB1 H 1 1.397 0.030 . 1 . . . . 11 ALA HB . 10138 1 134 . 1 1 11 11 ALA HB2 H 1 1.397 0.030 . 1 . . . . 11 ALA HB . 10138 1 135 . 1 1 11 11 ALA HB3 H 1 1.397 0.030 . 1 . . . . 11 ALA HB . 10138 1 136 . 1 1 11 11 ALA C C 13 175.639 0.300 . 1 . . . . 11 ALA C . 10138 1 137 . 1 1 11 11 ALA CA C 13 50.975 0.300 . 1 . . . . 11 ALA CA . 10138 1 138 . 1 1 11 11 ALA CB C 13 17.891 0.300 . 1 . . . . 11 ALA CB . 10138 1 139 . 1 1 11 11 ALA N N 15 118.842 0.300 . 1 . . . . 11 ALA N . 10138 1 140 . 1 1 12 12 PRO HA H 1 4.723 0.030 . 1 . . . . 12 PRO HA . 10138 1 141 . 1 1 12 12 PRO HB2 H 1 2.336 0.030 . 2 . . . . 12 PRO HB2 . 10138 1 142 . 1 1 12 12 PRO HB3 H 1 1.624 0.030 . 2 . . . . 12 PRO HB3 . 10138 1 143 . 1 1 12 12 PRO HG2 H 1 1.945 0.030 . 2 . . . . 12 PRO HG2 . 10138 1 144 . 1 1 12 12 PRO HG3 H 1 1.438 0.030 . 2 . . . . 12 PRO HG3 . 10138 1 145 . 1 1 12 12 PRO HD2 H 1 3.475 0.030 . 2 . . . . 12 PRO HD2 . 10138 1 146 . 1 1 12 12 PRO HD3 H 1 3.954 0.030 . 2 . . . . 12 PRO HD3 . 10138 1 147 . 1 1 12 12 PRO C C 13 175.565 0.300 . 1 . . . . 12 PRO C . 10138 1 148 . 1 1 12 12 PRO CA C 13 62.492 0.300 . 1 . . . . 12 PRO CA . 10138 1 149 . 1 1 12 12 PRO CB C 13 32.238 0.300 . 1 . . . . 12 PRO CB . 10138 1 150 . 1 1 12 12 PRO CG C 13 28.123 0.300 . 1 . . . . 12 PRO CG . 10138 1 151 . 1 1 12 12 PRO CD C 13 50.952 0.300 . 1 . . . . 12 PRO CD . 10138 1 152 . 1 1 13 13 TYR H H 1 8.535 0.030 . 1 . . . . 13 TYR H . 10138 1 153 . 1 1 13 13 TYR HA H 1 4.608 0.030 . 1 . . . . 13 TYR HA . 10138 1 154 . 1 1 13 13 TYR HB2 H 1 2.392 0.030 . 2 . . . . 13 TYR HB2 . 10138 1 155 . 1 1 13 13 TYR HB3 H 1 2.476 0.030 . 2 . . . . 13 TYR HB3 . 10138 1 156 . 1 1 13 13 TYR HD1 H 1 7.053 0.030 . 1 . . . . 13 TYR HD1 . 10138 1 157 . 1 1 13 13 TYR HD2 H 1 7.053 0.030 . 1 . . . . 13 TYR HD2 . 10138 1 158 . 1 1 13 13 TYR HE1 H 1 6.919 0.030 . 1 . . . . 13 TYR HE1 . 10138 1 159 . 1 1 13 13 TYR HE2 H 1 6.919 0.030 . 1 . . . . 13 TYR HE2 . 10138 1 160 . 1 1 13 13 TYR C C 13 173.179 0.300 . 1 . . . . 13 TYR C . 10138 1 161 . 1 1 13 13 TYR CA C 13 56.367 0.300 . 1 . . . . 13 TYR CA . 10138 1 162 . 1 1 13 13 TYR CB C 13 42.299 0.300 . 1 . . . . 13 TYR CB . 10138 1 163 . 1 1 13 13 TYR CD1 C 13 133.600 0.300 . 1 . . . . 13 TYR CD1 . 10138 1 164 . 1 1 13 13 TYR CD2 C 13 133.600 0.300 . 1 . . . . 13 TYR CD2 . 10138 1 165 . 1 1 13 13 TYR CE1 C 13 118.616 0.300 . 1 . . . . 13 TYR CE1 . 10138 1 166 . 1 1 13 13 TYR CE2 C 13 118.616 0.300 . 1 . . . . 13 TYR CE2 . 10138 1 167 . 1 1 13 13 TYR N N 15 124.312 0.300 . 1 . . . . 13 TYR N . 10138 1 168 . 1 1 14 14 ALA H H 1 8.567 0.030 . 1 . . . . 14 ALA H . 10138 1 169 . 1 1 14 14 ALA HA H 1 3.749 0.030 . 1 . . . . 14 ALA HA . 10138 1 170 . 1 1 14 14 ALA HB1 H 1 1.122 0.030 . 1 . . . . 14 ALA HB . 10138 1 171 . 1 1 14 14 ALA HB2 H 1 1.122 0.030 . 1 . . . . 14 ALA HB . 10138 1 172 . 1 1 14 14 ALA HB3 H 1 1.122 0.030 . 1 . . . . 14 ALA HB . 10138 1 173 . 1 1 14 14 ALA C C 13 177.934 0.300 . 1 . . . . 14 ALA C . 10138 1 174 . 1 1 14 14 ALA CA C 13 52.873 0.300 . 1 . . . . 14 ALA CA . 10138 1 175 . 1 1 14 14 ALA CB C 13 17.175 0.300 . 1 . . . . 14 ALA CB . 10138 1 176 . 1 1 14 14 ALA N N 15 129.160 0.300 . 1 . . . . 14 ALA N . 10138 1 177 . 1 1 15 15 LEU H H 1 8.225 0.030 . 1 . . . . 15 LEU H . 10138 1 178 . 1 1 15 15 LEU HA H 1 4.700 0.030 . 1 . . . . 15 LEU HA . 10138 1 179 . 1 1 15 15 LEU HB2 H 1 1.834 0.030 . 2 . . . . 15 LEU HB2 . 10138 1 180 . 1 1 15 15 LEU HB3 H 1 1.730 0.030 . 2 . . . . 15 LEU HB3 . 10138 1 181 . 1 1 15 15 LEU HG H 1 1.495 0.030 . 1 . . . . 15 LEU HG . 10138 1 182 . 1 1 15 15 LEU HD11 H 1 0.887 0.030 . 1 . . . . 15 LEU HD1 . 10138 1 183 . 1 1 15 15 LEU HD12 H 1 0.887 0.030 . 1 . . . . 15 LEU HD1 . 10138 1 184 . 1 1 15 15 LEU HD13 H 1 0.887 0.030 . 1 . . . . 15 LEU HD1 . 10138 1 185 . 1 1 15 15 LEU HD21 H 1 0.799 0.030 . 1 . . . . 15 LEU HD2 . 10138 1 186 . 1 1 15 15 LEU HD22 H 1 0.799 0.030 . 1 . . . . 15 LEU HD2 . 10138 1 187 . 1 1 15 15 LEU HD23 H 1 0.799 0.030 . 1 . . . . 15 LEU HD2 . 10138 1 188 . 1 1 15 15 LEU C C 13 177.819 0.300 . 1 . . . . 15 LEU C . 10138 1 189 . 1 1 15 15 LEU CA C 13 56.066 0.300 . 1 . . . . 15 LEU CA . 10138 1 190 . 1 1 15 15 LEU CB C 13 43.629 0.300 . 1 . . . . 15 LEU CB . 10138 1 191 . 1 1 15 15 LEU CG C 13 26.987 0.300 . 1 . . . . 15 LEU CG . 10138 1 192 . 1 1 15 15 LEU CD1 C 13 25.181 0.300 . 2 . . . . 15 LEU CD1 . 10138 1 193 . 1 1 15 15 LEU CD2 C 13 22.919 0.300 . 2 . . . . 15 LEU CD2 . 10138 1 194 . 1 1 15 15 LEU N N 15 118.711 0.300 . 1 . . . . 15 LEU N . 10138 1 195 . 1 1 16 16 LYS H H 1 8.543 0.030 . 1 . . . . 16 LYS H . 10138 1 196 . 1 1 16 16 LYS HA H 1 4.559 0.030 . 1 . . . . 16 LYS HA . 10138 1 197 . 1 1 16 16 LYS HB2 H 1 1.703 0.030 . 2 . . . . 16 LYS HB2 . 10138 1 198 . 1 1 16 16 LYS HB3 H 1 2.358 0.030 . 2 . . . . 16 LYS HB3 . 10138 1 199 . 1 1 16 16 LYS HG2 H 1 1.456 0.030 . 2 . . . . 16 LYS HG2 . 10138 1 200 . 1 1 16 16 LYS HG3 H 1 1.583 0.030 . 2 . . . . 16 LYS HG3 . 10138 1 201 . 1 1 16 16 LYS HD2 H 1 1.732 0.030 . 1 . . . . 16 LYS HD2 . 10138 1 202 . 1 1 16 16 LYS HD3 H 1 1.732 0.030 . 1 . . . . 16 LYS HD3 . 10138 1 203 . 1 1 16 16 LYS HE2 H 1 3.038 0.030 . 1 . . . . 16 LYS HE2 . 10138 1 204 . 1 1 16 16 LYS HE3 H 1 3.038 0.030 . 1 . . . . 16 LYS HE3 . 10138 1 205 . 1 1 16 16 LYS C C 13 174.594 0.300 . 1 . . . . 16 LYS C . 10138 1 206 . 1 1 16 16 LYS CA C 13 55.946 0.300 . 1 . . . . 16 LYS CA . 10138 1 207 . 1 1 16 16 LYS CB C 13 32.493 0.300 . 1 . . . . 16 LYS CB . 10138 1 208 . 1 1 16 16 LYS CG C 13 25.163 0.300 . 1 . . . . 16 LYS CG . 10138 1 209 . 1 1 16 16 LYS CD C 13 28.845 0.300 . 1 . . . . 16 LYS CD . 10138 1 210 . 1 1 16 16 LYS CE C 13 41.998 0.300 . 1 . . . . 16 LYS CE . 10138 1 211 . 1 1 16 16 LYS N N 15 120.756 0.300 . 1 . . . . 16 LYS N . 10138 1 212 . 1 1 17 17 GLY H H 1 7.672 0.030 . 1 . . . . 17 GLY H . 10138 1 213 . 1 1 17 17 GLY HA2 H 1 4.344 0.030 . 2 . . . . 17 GLY HA2 . 10138 1 214 . 1 1 17 17 GLY HA3 H 1 3.013 0.030 . 2 . . . . 17 GLY HA3 . 10138 1 215 . 1 1 17 17 GLY C C 13 173.639 0.300 . 1 . . . . 17 GLY C . 10138 1 216 . 1 1 17 17 GLY CA C 13 44.828 0.300 . 1 . . . . 17 GLY CA . 10138 1 217 . 1 1 17 17 GLY N N 15 105.950 0.300 . 1 . . . . 17 GLY N . 10138 1 218 . 1 1 18 18 GLY H H 1 8.006 0.030 . 1 . . . . 18 GLY H . 10138 1 219 . 1 1 18 18 GLY HA2 H 1 2.662 0.030 . 2 . . . . 18 GLY HA2 . 10138 1 220 . 1 1 18 18 GLY HA3 H 1 2.837 0.030 . 2 . . . . 18 GLY HA3 . 10138 1 221 . 1 1 18 18 GLY C C 13 173.425 0.300 . 1 . . . . 18 GLY C . 10138 1 222 . 1 1 18 18 GLY CA C 13 45.328 0.300 . 1 . . . . 18 GLY CA . 10138 1 223 . 1 1 18 18 GLY N N 15 108.217 0.300 . 1 . . . . 18 GLY N . 10138 1 224 . 1 1 19 19 LEU H H 1 8.379 0.030 . 1 . . . . 19 LEU H . 10138 1 225 . 1 1 19 19 LEU HA H 1 4.398 0.030 . 1 . . . . 19 LEU HA . 10138 1 226 . 1 1 19 19 LEU HB2 H 1 1.171 0.030 . 2 . . . . 19 LEU HB2 . 10138 1 227 . 1 1 19 19 LEU HB3 H 1 1.128 0.030 . 2 . . . . 19 LEU HB3 . 10138 1 228 . 1 1 19 19 LEU HG H 1 1.268 0.030 . 1 . . . . 19 LEU HG . 10138 1 229 . 1 1 19 19 LEU HD11 H 1 0.104 0.030 . 1 . . . . 19 LEU HD1 . 10138 1 230 . 1 1 19 19 LEU HD12 H 1 0.104 0.030 . 1 . . . . 19 LEU HD1 . 10138 1 231 . 1 1 19 19 LEU HD13 H 1 0.104 0.030 . 1 . . . . 19 LEU HD1 . 10138 1 232 . 1 1 19 19 LEU HD21 H 1 0.553 0.030 . 1 . . . . 19 LEU HD2 . 10138 1 233 . 1 1 19 19 LEU HD22 H 1 0.553 0.030 . 1 . . . . 19 LEU HD2 . 10138 1 234 . 1 1 19 19 LEU HD23 H 1 0.553 0.030 . 1 . . . . 19 LEU HD2 . 10138 1 235 . 1 1 19 19 LEU C C 13 175.746 0.300 . 1 . . . . 19 LEU C . 10138 1 236 . 1 1 19 19 LEU CA C 13 54.253 0.300 . 1 . . . . 19 LEU CA . 10138 1 237 . 1 1 19 19 LEU CB C 13 47.118 0.300 . 1 . . . . 19 LEU CB . 10138 1 238 . 1 1 19 19 LEU CG C 13 26.589 0.300 . 1 . . . . 19 LEU CG . 10138 1 239 . 1 1 19 19 LEU CD1 C 13 26.044 0.300 . 2 . . . . 19 LEU CD1 . 10138 1 240 . 1 1 19 19 LEU CD2 C 13 24.686 0.300 . 2 . . . . 19 LEU CD2 . 10138 1 241 . 1 1 19 19 LEU N N 15 125.171 0.300 . 1 . . . . 19 LEU N . 10138 1 242 . 1 1 20 20 ARG H H 1 7.509 0.030 . 1 . . . . 20 ARG H . 10138 1 243 . 1 1 20 20 ARG HA H 1 4.705 0.030 . 1 . . . . 20 ARG HA . 10138 1 244 . 1 1 20 20 ARG HB2 H 1 1.745 0.030 . 2 . . . . 20 ARG HB2 . 10138 1 245 . 1 1 20 20 ARG HB3 H 1 1.858 0.030 . 2 . . . . 20 ARG HB3 . 10138 1 246 . 1 1 20 20 ARG HG2 H 1 1.440 0.030 . 2 . . . . 20 ARG HG2 . 10138 1 247 . 1 1 20 20 ARG HG3 H 1 1.724 0.030 . 2 . . . . 20 ARG HG3 . 10138 1 248 . 1 1 20 20 ARG HD2 H 1 3.299 0.030 . 2 . . . . 20 ARG HD2 . 10138 1 249 . 1 1 20 20 ARG HD3 H 1 3.128 0.030 . 2 . . . . 20 ARG HD3 . 10138 1 250 . 1 1 20 20 ARG C C 13 176.141 0.300 . 1 . . . . 20 ARG C . 10138 1 251 . 1 1 20 20 ARG CA C 13 56.907 0.300 . 1 . . . . 20 ARG CA . 10138 1 252 . 1 1 20 20 ARG CB C 13 30.862 0.300 . 1 . . . . 20 ARG CB . 10138 1 253 . 1 1 20 20 ARG CG C 13 30.061 0.300 . 1 . . . . 20 ARG CG . 10138 1 254 . 1 1 20 20 ARG CD C 13 43.566 0.300 . 1 . . . . 20 ARG CD . 10138 1 255 . 1 1 20 20 ARG N N 15 120.130 0.300 . 1 . . . . 20 ARG N . 10138 1 256 . 1 1 21 21 PHE H H 1 9.063 0.030 . 1 . . . . 21 PHE H . 10138 1 257 . 1 1 21 21 PHE HA H 1 4.929 0.030 . 1 . . . . 21 PHE HA . 10138 1 258 . 1 1 21 21 PHE HB2 H 1 2.813 0.030 . 2 . . . . 21 PHE HB2 . 10138 1 259 . 1 1 21 21 PHE HB3 H 1 2.741 0.030 . 2 . . . . 21 PHE HB3 . 10138 1 260 . 1 1 21 21 PHE HD1 H 1 6.791 0.030 . 1 . . . . 21 PHE HD1 . 10138 1 261 . 1 1 21 21 PHE HD2 H 1 6.791 0.030 . 1 . . . . 21 PHE HD2 . 10138 1 262 . 1 1 21 21 PHE HE1 H 1 6.855 0.030 . 1 . . . . 21 PHE HE1 . 10138 1 263 . 1 1 21 21 PHE HE2 H 1 6.855 0.030 . 1 . . . . 21 PHE HE2 . 10138 1 264 . 1 1 21 21 PHE HZ H 1 6.789 0.030 . 1 . . . . 21 PHE HZ . 10138 1 265 . 1 1 21 21 PHE C C 13 173.705 0.300 . 1 . . . . 21 PHE C . 10138 1 266 . 1 1 21 21 PHE CA C 13 57.418 0.300 . 1 . . . . 21 PHE CA . 10138 1 267 . 1 1 21 21 PHE CB C 13 42.646 0.300 . 1 . . . . 21 PHE CB . 10138 1 268 . 1 1 21 21 PHE CD1 C 13 131.485 0.300 . 1 . . . . 21 PHE CD1 . 10138 1 269 . 1 1 21 21 PHE CD2 C 13 131.485 0.300 . 1 . . . . 21 PHE CD2 . 10138 1 270 . 1 1 21 21 PHE CE1 C 13 129.235 0.300 . 1 . . . . 21 PHE CE1 . 10138 1 271 . 1 1 21 21 PHE CE2 C 13 129.235 0.300 . 1 . . . . 21 PHE CE2 . 10138 1 272 . 1 1 21 21 PHE CZ C 13 130.985 0.300 . 1 . . . . 21 PHE CZ . 10138 1 273 . 1 1 21 21 PHE N N 15 123.707 0.300 . 1 . . . . 21 PHE N . 10138 1 274 . 1 1 22 22 ARG H H 1 7.822 0.030 . 1 . . . . 22 ARG H . 10138 1 275 . 1 1 22 22 ARG HA H 1 4.501 0.030 . 1 . . . . 22 ARG HA . 10138 1 276 . 1 1 22 22 ARG HB2 H 1 1.596 0.030 . 2 . . . . 22 ARG HB2 . 10138 1 277 . 1 1 22 22 ARG HB3 H 1 1.536 0.030 . 2 . . . . 22 ARG HB3 . 10138 1 278 . 1 1 22 22 ARG HG2 H 1 1.459 0.030 . 1 . . . . 22 ARG HG2 . 10138 1 279 . 1 1 22 22 ARG HG3 H 1 1.459 0.030 . 1 . . . . 22 ARG HG3 . 10138 1 280 . 1 1 22 22 ARG HD2 H 1 3.118 0.030 . 2 . . . . 22 ARG HD2 . 10138 1 281 . 1 1 22 22 ARG HD3 H 1 3.063 0.030 . 2 . . . . 22 ARG HD3 . 10138 1 282 . 1 1 22 22 ARG C C 13 174.215 0.300 . 1 . . . . 22 ARG C . 10138 1 283 . 1 1 22 22 ARG CA C 13 53.881 0.300 . 1 . . . . 22 ARG CA . 10138 1 284 . 1 1 22 22 ARG CB C 13 30.902 0.300 . 1 . . . . 22 ARG CB . 10138 1 285 . 1 1 22 22 ARG CG C 13 26.987 0.300 . 1 . . . . 22 ARG CG . 10138 1 286 . 1 1 22 22 ARG CD C 13 43.373 0.300 . 1 . . . . 22 ARG CD . 10138 1 287 . 1 1 22 22 ARG N N 15 129.240 0.300 . 1 . . . . 22 ARG N . 10138 1 288 . 1 1 23 23 GLY H H 1 7.954 0.030 . 1 . . . . 23 GLY H . 10138 1 289 . 1 1 23 23 GLY HA2 H 1 3.850 0.030 . 2 . . . . 23 GLY HA2 . 10138 1 290 . 1 1 23 23 GLY HA3 H 1 4.322 0.030 . 2 . . . . 23 GLY HA3 . 10138 1 291 . 1 1 23 23 GLY C C 13 172.849 0.300 . 1 . . . . 23 GLY C . 10138 1 292 . 1 1 23 23 GLY CA C 13 45.907 0.300 . 1 . . . . 23 GLY CA . 10138 1 293 . 1 1 23 23 GLY N N 15 111.983 0.300 . 1 . . . . 23 GLY N . 10138 1 294 . 1 1 24 24 GLU H H 1 8.807 0.030 . 1 . . . . 24 GLU H . 10138 1 295 . 1 1 24 24 GLU HA H 1 4.575 0.030 . 1 . . . . 24 GLU HA . 10138 1 296 . 1 1 24 24 GLU HB2 H 1 1.925 0.030 . 2 . . . . 24 GLU HB2 . 10138 1 297 . 1 1 24 24 GLU HB3 H 1 2.438 0.030 . 2 . . . . 24 GLU HB3 . 10138 1 298 . 1 1 24 24 GLU HG2 H 1 2.517 0.030 . 2 . . . . 24 GLU HG2 . 10138 1 299 . 1 1 24 24 GLU HG3 H 1 2.432 0.030 . 2 . . . . 24 GLU HG3 . 10138 1 300 . 1 1 24 24 GLU CA C 13 54.548 0.300 . 1 . . . . 24 GLU CA . 10138 1 301 . 1 1 24 24 GLU CB C 13 31.112 0.300 . 1 . . . . 24 GLU CB . 10138 1 302 . 1 1 24 24 GLU CG C 13 35.828 0.300 . 1 . . . . 24 GLU CG . 10138 1 303 . 1 1 24 24 GLU N N 15 121.087 0.300 . 1 . . . . 24 GLU N . 10138 1 304 . 1 1 25 25 PRO HA H 1 4.412 0.030 . 1 . . . . 25 PRO HA . 10138 1 305 . 1 1 25 25 PRO HB2 H 1 2.326 0.030 . 2 . . . . 25 PRO HB2 . 10138 1 306 . 1 1 25 25 PRO HB3 H 1 2.168 0.030 . 2 . . . . 25 PRO HB3 . 10138 1 307 . 1 1 25 25 PRO HG2 H 1 2.124 0.030 . 2 . . . . 25 PRO HG2 . 10138 1 308 . 1 1 25 25 PRO HG3 H 1 2.025 0.030 . 2 . . . . 25 PRO HG3 . 10138 1 309 . 1 1 25 25 PRO HD2 H 1 4.006 0.030 . 2 . . . . 25 PRO HD2 . 10138 1 310 . 1 1 25 25 PRO HD3 H 1 3.875 0.030 . 2 . . . . 25 PRO HD3 . 10138 1 311 . 1 1 25 25 PRO C C 13 177.424 0.300 . 1 . . . . 25 PRO C . 10138 1 312 . 1 1 25 25 PRO CA C 13 64.264 0.300 . 1 . . . . 25 PRO CA . 10138 1 313 . 1 1 25 25 PRO CB C 13 31.072 0.300 . 1 . . . . 25 PRO CB . 10138 1 314 . 1 1 25 25 PRO CG C 13 27.300 0.300 . 1 . . . . 25 PRO CG . 10138 1 315 . 1 1 25 25 PRO CD C 13 51.043 0.300 . 1 . . . . 25 PRO CD . 10138 1 316 . 1 1 26 26 VAL H H 1 7.086 0.030 . 1 . . . . 26 VAL H . 10138 1 317 . 1 1 26 26 VAL HA H 1 4.017 0.030 . 1 . . . . 26 VAL HA . 10138 1 318 . 1 1 26 26 VAL HB H 1 2.252 0.030 . 1 . . . . 26 VAL HB . 10138 1 319 . 1 1 26 26 VAL HG11 H 1 0.929 0.030 . 1 . . . . 26 VAL HG1 . 10138 1 320 . 1 1 26 26 VAL HG12 H 1 0.929 0.030 . 1 . . . . 26 VAL HG1 . 10138 1 321 . 1 1 26 26 VAL HG13 H 1 0.929 0.030 . 1 . . . . 26 VAL HG1 . 10138 1 322 . 1 1 26 26 VAL HG21 H 1 1.025 0.030 . 1 . . . . 26 VAL HG2 . 10138 1 323 . 1 1 26 26 VAL HG22 H 1 1.025 0.030 . 1 . . . . 26 VAL HG2 . 10138 1 324 . 1 1 26 26 VAL HG23 H 1 1.025 0.030 . 1 . . . . 26 VAL HG2 . 10138 1 325 . 1 1 26 26 VAL C C 13 175.334 0.300 . 1 . . . . 26 VAL C . 10138 1 326 . 1 1 26 26 VAL CA C 13 63.571 0.300 . 1 . . . . 26 VAL CA . 10138 1 327 . 1 1 26 26 VAL CB C 13 31.356 0.300 . 1 . . . . 26 VAL CB . 10138 1 328 . 1 1 26 26 VAL CG1 C 13 20.175 0.300 . 2 . . . . 26 VAL CG1 . 10138 1 329 . 1 1 26 26 VAL CG2 C 13 21.186 0.300 . 2 . . . . 26 VAL CG2 . 10138 1 330 . 1 1 26 26 VAL N N 15 118.842 0.300 . 1 . . . . 26 VAL N . 10138 1 331 . 1 1 27 27 VAL H H 1 6.962 0.030 . 1 . . . . 27 VAL H . 10138 1 332 . 1 1 27 27 VAL HA H 1 3.524 0.030 . 1 . . . . 27 VAL HA . 10138 1 333 . 1 1 27 27 VAL HB H 1 1.496 0.030 . 1 . . . . 27 VAL HB . 10138 1 334 . 1 1 27 27 VAL HG11 H 1 0.424 0.030 . 1 . . . . 27 VAL HG1 . 10138 1 335 . 1 1 27 27 VAL HG12 H 1 0.424 0.030 . 1 . . . . 27 VAL HG1 . 10138 1 336 . 1 1 27 27 VAL HG13 H 1 0.424 0.030 . 1 . . . . 27 VAL HG1 . 10138 1 337 . 1 1 27 27 VAL HG21 H 1 0.196 0.030 . 1 . . . . 27 VAL HG2 . 10138 1 338 . 1 1 27 27 VAL HG22 H 1 0.196 0.030 . 1 . . . . 27 VAL HG2 . 10138 1 339 . 1 1 27 27 VAL HG23 H 1 0.196 0.030 . 1 . . . . 27 VAL HG2 . 10138 1 340 . 1 1 27 27 VAL C C 13 173.936 0.300 . 1 . . . . 27 VAL C . 10138 1 341 . 1 1 27 27 VAL CA C 13 63.588 0.300 . 1 . . . . 27 VAL CA . 10138 1 342 . 1 1 27 27 VAL CB C 13 31.981 0.300 . 1 . . . . 27 VAL CB . 10138 1 343 . 1 1 27 27 VAL CG1 C 13 20.277 0.300 . 2 . . . . 27 VAL CG1 . 10138 1 344 . 1 1 27 27 VAL CG2 C 13 20.413 0.300 . 2 . . . . 27 VAL CG2 . 10138 1 345 . 1 1 27 27 VAL N N 15 119.103 0.300 . 1 . . . . 27 VAL N . 10138 1 346 . 1 1 28 28 LEU H H 1 7.241 0.030 . 1 . . . . 28 LEU H . 10138 1 347 . 1 1 28 28 LEU HA H 1 3.828 0.030 . 1 . . . . 28 LEU HA . 10138 1 348 . 1 1 28 28 LEU HB2 H 1 1.212 0.030 . 2 . . . . 28 LEU HB2 . 10138 1 349 . 1 1 28 28 LEU HB3 H 1 1.394 0.030 . 2 . . . . 28 LEU HB3 . 10138 1 350 . 1 1 28 28 LEU HG H 1 1.589 0.030 . 1 . . . . 28 LEU HG . 10138 1 351 . 1 1 28 28 LEU HD11 H 1 0.901 0.030 . 1 . . . . 28 LEU HD1 . 10138 1 352 . 1 1 28 28 LEU HD12 H 1 0.901 0.030 . 1 . . . . 28 LEU HD1 . 10138 1 353 . 1 1 28 28 LEU HD13 H 1 0.901 0.030 . 1 . . . . 28 LEU HD1 . 10138 1 354 . 1 1 28 28 LEU HD21 H 1 0.787 0.030 . 1 . . . . 28 LEU HD2 . 10138 1 355 . 1 1 28 28 LEU HD22 H 1 0.787 0.030 . 1 . . . . 28 LEU HD2 . 10138 1 356 . 1 1 28 28 LEU HD23 H 1 0.787 0.030 . 1 . . . . 28 LEU HD2 . 10138 1 357 . 1 1 28 28 LEU C C 13 177.260 0.300 . 1 . . . . 28 LEU C . 10138 1 358 . 1 1 28 28 LEU CA C 13 56.816 0.300 . 1 . . . . 28 LEU CA . 10138 1 359 . 1 1 28 28 LEU CB C 13 41.958 0.300 . 1 . . . . 28 LEU CB . 10138 1 360 . 1 1 28 28 LEU CG C 13 27.686 0.300 . 1 . . . . 28 LEU CG . 10138 1 361 . 1 1 28 28 LEU CD1 C 13 25.118 0.300 . 2 . . . . 28 LEU CD1 . 10138 1 362 . 1 1 28 28 LEU CD2 C 13 23.817 0.300 . 2 . . . . 28 LEU CD2 . 10138 1 363 . 1 1 28 28 LEU N N 15 117.561 0.300 . 1 . . . . 28 LEU N . 10138 1 364 . 1 1 29 29 HIS H H 1 7.752 0.030 . 1 . . . . 29 HIS H . 10138 1 365 . 1 1 29 29 HIS HA H 1 4.861 0.030 . 1 . . . . 29 HIS HA . 10138 1 366 . 1 1 29 29 HIS HB2 H 1 3.444 0.030 . 2 . . . . 29 HIS HB2 . 10138 1 367 . 1 1 29 29 HIS HB3 H 1 2.985 0.030 . 2 . . . . 29 HIS HB3 . 10138 1 368 . 1 1 29 29 HIS HD2 H 1 7.046 0.030 . 1 . . . . 29 HIS HD2 . 10138 1 369 . 1 1 29 29 HIS HE1 H 1 8.213 0.030 . 1 . . . . 29 HIS HE1 . 10138 1 370 . 1 1 29 29 HIS C C 13 174.462 0.300 . 1 . . . . 29 HIS C . 10138 1 371 . 1 1 29 29 HIS CA C 13 54.543 0.300 . 1 . . . . 29 HIS CA . 10138 1 372 . 1 1 29 29 HIS CB C 13 30.265 0.300 . 1 . . . . 29 HIS CB . 10138 1 373 . 1 1 29 29 HIS CD2 C 13 120.610 0.300 . 1 . . . . 29 HIS CD2 . 10138 1 374 . 1 1 29 29 HIS CE1 C 13 137.443 0.300 . 1 . . . . 29 HIS CE1 . 10138 1 375 . 1 1 29 29 HIS N N 15 114.074 0.300 . 1 . . . . 29 HIS N . 10138 1 376 . 1 1 30 30 LEU H H 1 7.098 0.030 . 1 . . . . 30 LEU H . 10138 1 377 . 1 1 30 30 LEU HA H 1 4.688 0.030 . 1 . . . . 30 LEU HA . 10138 1 378 . 1 1 30 30 LEU HB2 H 1 1.605 0.030 . 1 . . . . 30 LEU HB2 . 10138 1 379 . 1 1 30 30 LEU HB3 H 1 1.605 0.030 . 1 . . . . 30 LEU HB3 . 10138 1 380 . 1 1 30 30 LEU HG H 1 1.889 0.030 . 1 . . . . 30 LEU HG . 10138 1 381 . 1 1 30 30 LEU HD11 H 1 0.824 0.030 . 1 . . . . 30 LEU HD1 . 10138 1 382 . 1 1 30 30 LEU HD12 H 1 0.824 0.030 . 1 . . . . 30 LEU HD1 . 10138 1 383 . 1 1 30 30 LEU HD13 H 1 0.824 0.030 . 1 . . . . 30 LEU HD1 . 10138 1 384 . 1 1 30 30 LEU HD21 H 1 0.979 0.030 . 1 . . . . 30 LEU HD2 . 10138 1 385 . 1 1 30 30 LEU HD22 H 1 0.979 0.030 . 1 . . . . 30 LEU HD2 . 10138 1 386 . 1 1 30 30 LEU HD23 H 1 0.979 0.030 . 1 . . . . 30 LEU HD2 . 10138 1 387 . 1 1 30 30 LEU C C 13 176.206 0.300 . 1 . . . . 30 LEU C . 10138 1 388 . 1 1 30 30 LEU CA C 13 54.032 0.300 . 1 . . . . 30 LEU CA . 10138 1 389 . 1 1 30 30 LEU CB C 13 43.634 0.300 . 1 . . . . 30 LEU CB . 10138 1 390 . 1 1 30 30 LEU CG C 13 25.828 0.300 . 1 . . . . 30 LEU CG . 10138 1 391 . 1 1 30 30 LEU CD1 C 13 27.663 0.300 . 2 . . . . 30 LEU CD1 . 10138 1 392 . 1 1 30 30 LEU CD2 C 13 22.607 0.300 . 2 . . . . 30 LEU CD2 . 10138 1 393 . 1 1 30 30 LEU N N 15 119.475 0.300 . 1 . . . . 30 LEU N . 10138 1 394 . 1 1 31 31 GLU H H 1 8.936 0.030 . 1 . . . . 31 GLU H . 10138 1 395 . 1 1 31 31 GLU HA H 1 4.529 0.030 . 1 . . . . 31 GLU HA . 10138 1 396 . 1 1 31 31 GLU HB2 H 1 2.152 0.030 . 2 . . . . 31 GLU HB2 . 10138 1 397 . 1 1 31 31 GLU HB3 H 1 1.955 0.030 . 2 . . . . 31 GLU HB3 . 10138 1 398 . 1 1 31 31 GLU HG2 H 1 2.289 0.030 . 1 . . . . 31 GLU HG2 . 10138 1 399 . 1 1 31 31 GLU HG3 H 1 2.289 0.030 . 1 . . . . 31 GLU HG3 . 10138 1 400 . 1 1 31 31 GLU C C 13 176.947 0.300 . 1 . . . . 31 GLU C . 10138 1 401 . 1 1 31 31 GLU CA C 13 56.611 0.300 . 1 . . . . 31 GLU CA . 10138 1 402 . 1 1 31 31 GLU CB C 13 31.396 0.300 . 1 . . . . 31 GLU CB . 10138 1 403 . 1 1 31 31 GLU CG C 13 36.588 0.300 . 1 . . . . 31 GLU CG . 10138 1 404 . 1 1 31 31 GLU N N 15 117.285 0.300 . 1 . . . . 31 GLU N . 10138 1 405 . 1 1 32 32 ARG H H 1 7.754 0.030 . 1 . . . . 32 ARG H . 10138 1 406 . 1 1 32 32 ARG HA H 1 5.305 0.030 . 1 . . . . 32 ARG HA . 10138 1 407 . 1 1 32 32 ARG HB2 H 1 2.021 0.030 . 2 . . . . 32 ARG HB2 . 10138 1 408 . 1 1 32 32 ARG HB3 H 1 1.744 0.030 . 2 . . . . 32 ARG HB3 . 10138 1 409 . 1 1 32 32 ARG HG2 H 1 1.620 0.030 . 2 . . . . 32 ARG HG2 . 10138 1 410 . 1 1 32 32 ARG HG3 H 1 1.516 0.030 . 2 . . . . 32 ARG HG3 . 10138 1 411 . 1 1 32 32 ARG HD2 H 1 2.526 0.030 . 2 . . . . 32 ARG HD2 . 10138 1 412 . 1 1 32 32 ARG HD3 H 1 2.813 0.030 . 2 . . . . 32 ARG HD3 . 10138 1 413 . 1 1 32 32 ARG C C 13 173.524 0.300 . 1 . . . . 32 ARG C . 10138 1 414 . 1 1 32 32 ARG CA C 13 54.691 0.300 . 1 . . . . 32 ARG CA . 10138 1 415 . 1 1 32 32 ARG CB C 13 33.095 0.300 . 1 . . . . 32 ARG CB . 10138 1 416 . 1 1 32 32 ARG CG C 13 25.050 0.300 . 1 . . . . 32 ARG CG . 10138 1 417 . 1 1 32 32 ARG CD C 13 43.720 0.300 . 1 . . . . 32 ARG CD . 10138 1 418 . 1 1 32 32 ARG N N 15 115.658 0.300 . 1 . . . . 32 ARG N . 10138 1 419 . 1 1 33 33 VAL H H 1 8.769 0.030 . 1 . . . . 33 VAL H . 10138 1 420 . 1 1 33 33 VAL HA H 1 5.089 0.030 . 1 . . . . 33 VAL HA . 10138 1 421 . 1 1 33 33 VAL HB H 1 2.212 0.030 . 1 . . . . 33 VAL HB . 10138 1 422 . 1 1 33 33 VAL HG11 H 1 0.769 0.030 . 1 . . . . 33 VAL HG1 . 10138 1 423 . 1 1 33 33 VAL HG12 H 1 0.769 0.030 . 1 . . . . 33 VAL HG1 . 10138 1 424 . 1 1 33 33 VAL HG13 H 1 0.769 0.030 . 1 . . . . 33 VAL HG1 . 10138 1 425 . 1 1 33 33 VAL HG21 H 1 0.710 0.030 . 1 . . . . 33 VAL HG2 . 10138 1 426 . 1 1 33 33 VAL HG22 H 1 0.710 0.030 . 1 . . . . 33 VAL HG2 . 10138 1 427 . 1 1 33 33 VAL HG23 H 1 0.710 0.030 . 1 . . . . 33 VAL HG2 . 10138 1 428 . 1 1 33 33 VAL C C 13 172.389 0.300 . 1 . . . . 33 VAL C . 10138 1 429 . 1 1 33 33 VAL CA C 13 59.185 0.300 . 1 . . . . 33 VAL CA . 10138 1 430 . 1 1 33 33 VAL CB C 13 35.959 0.300 . 1 . . . . 33 VAL CB . 10138 1 431 . 1 1 33 33 VAL CG1 C 13 23.777 0.300 . 2 . . . . 33 VAL CG1 . 10138 1 432 . 1 1 33 33 VAL CG2 C 13 17.465 0.300 . 2 . . . . 33 VAL CG2 . 10138 1 433 . 1 1 33 33 VAL N N 15 110.950 0.300 . 1 . . . . 33 VAL N . 10138 1 434 . 1 1 34 34 TYR H H 1 9.056 0.030 . 1 . . . . 34 TYR H . 10138 1 435 . 1 1 34 34 TYR HA H 1 4.097 0.030 . 1 . . . . 34 TYR HA . 10138 1 436 . 1 1 34 34 TYR HB2 H 1 2.280 0.030 . 2 . . . . 34 TYR HB2 . 10138 1 437 . 1 1 34 34 TYR HB3 H 1 0.467 0.030 . 2 . . . . 34 TYR HB3 . 10138 1 438 . 1 1 34 34 TYR HD1 H 1 5.482 0.030 . 1 . . . . 34 TYR HD1 . 10138 1 439 . 1 1 34 34 TYR HD2 H 1 5.482 0.030 . 1 . . . . 34 TYR HD2 . 10138 1 440 . 1 1 34 34 TYR HE1 H 1 6.370 0.030 . 1 . . . . 34 TYR HE1 . 10138 1 441 . 1 1 34 34 TYR HE2 H 1 6.370 0.030 . 1 . . . . 34 TYR HE2 . 10138 1 442 . 1 1 34 34 TYR C C 13 174.824 0.300 . 1 . . . . 34 TYR C . 10138 1 443 . 1 1 34 34 TYR CA C 13 56.427 0.300 . 1 . . . . 34 TYR CA . 10138 1 444 . 1 1 34 34 TYR CB C 13 38.549 0.300 . 1 . . . . 34 TYR CB . 10138 1 445 . 1 1 34 34 TYR CD1 C 13 132.389 0.300 . 1 . . . . 34 TYR CD1 . 10138 1 446 . 1 1 34 34 TYR CD2 C 13 132.389 0.300 . 1 . . . . 34 TYR CD2 . 10138 1 447 . 1 1 34 34 TYR CE1 C 13 117.457 0.300 . 1 . . . . 34 TYR CE1 . 10138 1 448 . 1 1 34 34 TYR CE2 C 13 117.457 0.300 . 1 . . . . 34 TYR CE2 . 10138 1 449 . 1 1 34 34 TYR N N 15 125.134 0.300 . 1 . . . . 34 TYR N . 10138 1 450 . 1 1 35 35 VAL H H 1 8.270 0.030 . 1 . . . . 35 VAL H . 10138 1 451 . 1 1 35 35 VAL HA H 1 4.448 0.030 . 1 . . . . 35 VAL HA . 10138 1 452 . 1 1 35 35 VAL HB H 1 1.948 0.030 . 1 . . . . 35 VAL HB . 10138 1 453 . 1 1 35 35 VAL HG11 H 1 1.174 0.030 . 1 . . . . 35 VAL HG1 . 10138 1 454 . 1 1 35 35 VAL HG12 H 1 1.174 0.030 . 1 . . . . 35 VAL HG1 . 10138 1 455 . 1 1 35 35 VAL HG13 H 1 1.174 0.030 . 1 . . . . 35 VAL HG1 . 10138 1 456 . 1 1 35 35 VAL HG21 H 1 1.025 0.030 . 1 . . . . 35 VAL HG2 . 10138 1 457 . 1 1 35 35 VAL HG22 H 1 1.025 0.030 . 1 . . . . 35 VAL HG2 . 10138 1 458 . 1 1 35 35 VAL HG23 H 1 1.025 0.030 . 1 . . . . 35 VAL HG2 . 10138 1 459 . 1 1 35 35 VAL C C 13 175.120 0.300 . 1 . . . . 35 VAL C . 10138 1 460 . 1 1 35 35 VAL CA C 13 61.679 0.300 . 1 . . . . 35 VAL CA . 10138 1 461 . 1 1 35 35 VAL CB C 13 33.481 0.300 . 1 . . . . 35 VAL CB . 10138 1 462 . 1 1 35 35 VAL CG1 C 13 21.925 0.300 . 2 . . . . 35 VAL CG1 . 10138 1 463 . 1 1 35 35 VAL CG2 C 13 22.237 0.300 . 2 . . . . 35 VAL CG2 . 10138 1 464 . 1 1 35 35 VAL N N 15 129.211 0.300 . 1 . . . . 35 VAL N . 10138 1 465 . 1 1 36 36 GLU H H 1 8.857 0.030 . 1 . . . . 36 GLU H . 10138 1 466 . 1 1 36 36 GLU HA H 1 4.122 0.030 . 1 . . . . 36 GLU HA . 10138 1 467 . 1 1 36 36 GLU HB2 H 1 2.442 0.030 . 2 . . . . 36 GLU HB2 . 10138 1 468 . 1 1 36 36 GLU HB3 H 1 2.494 0.030 . 2 . . . . 36 GLU HB3 . 10138 1 469 . 1 1 36 36 GLU HG2 H 1 2.559 0.030 . 2 . . . . 36 GLU HG2 . 10138 1 470 . 1 1 36 36 GLU HG3 H 1 2.423 0.030 . 2 . . . . 36 GLU HG3 . 10138 1 471 . 1 1 36 36 GLU C C 13 175.943 0.300 . 1 . . . . 36 GLU C . 10138 1 472 . 1 1 36 36 GLU CA C 13 58.276 0.300 . 1 . . . . 36 GLU CA . 10138 1 473 . 1 1 36 36 GLU CB C 13 31.595 0.300 . 1 . . . . 36 GLU CB . 10138 1 474 . 1 1 36 36 GLU CG C 13 34.515 0.300 . 1 . . . . 36 GLU CG . 10138 1 475 . 1 1 36 36 GLU N N 15 130.031 0.300 . 1 . . . . 36 GLU N . 10138 1 476 . 1 1 37 37 GLY H H 1 8.779 0.030 . 1 . . . . 37 GLY H . 10138 1 477 . 1 1 37 37 GLY HA2 H 1 3.645 0.030 . 2 . . . . 37 GLY HA2 . 10138 1 478 . 1 1 37 37 GLY HA3 H 1 4.219 0.030 . 2 . . . . 37 GLY HA3 . 10138 1 479 . 1 1 37 37 GLY C C 13 173.870 0.300 . 1 . . . . 37 GLY C . 10138 1 480 . 1 1 37 37 GLY CA C 13 45.975 0.300 . 1 . . . . 37 GLY CA . 10138 1 481 . 1 1 37 37 GLY N N 15 113.975 0.300 . 1 . . . . 37 GLY N . 10138 1 482 . 1 1 38 38 HIS H H 1 8.341 0.030 . 1 . . . . 38 HIS H . 10138 1 483 . 1 1 38 38 HIS HA H 1 4.504 0.030 . 1 . . . . 38 HIS HA . 10138 1 484 . 1 1 38 38 HIS HB2 H 1 2.932 0.030 . 2 . . . . 38 HIS HB2 . 10138 1 485 . 1 1 38 38 HIS HB3 H 1 2.413 0.030 . 2 . . . . 38 HIS HB3 . 10138 1 486 . 1 1 38 38 HIS HD2 H 1 7.146 0.030 . 1 . . . . 38 HIS HD2 . 10138 1 487 . 1 1 38 38 HIS HE1 H 1 7.773 0.030 . 1 . . . . 38 HIS HE1 . 10138 1 488 . 1 1 38 38 HIS C C 13 174.939 0.300 . 1 . . . . 38 HIS C . 10138 1 489 . 1 1 38 38 HIS CA C 13 57.946 0.300 . 1 . . . . 38 HIS CA . 10138 1 490 . 1 1 38 38 HIS CB C 13 32.733 0.300 . 1 . . . . 38 HIS CB . 10138 1 491 . 1 1 38 38 HIS CD2 C 13 120.692 0.300 . 1 . . . . 38 HIS CD2 . 10138 1 492 . 1 1 38 38 HIS CE1 C 13 138.430 0.300 . 1 . . . . 38 HIS CE1 . 10138 1 493 . 1 1 38 38 HIS N N 15 118.423 0.300 . 1 . . . . 38 HIS N . 10138 1 494 . 1 1 39 39 GLY H H 1 7.851 0.030 . 1 . . . . 39 GLY H . 10138 1 495 . 1 1 39 39 GLY HA2 H 1 4.196 0.030 . 2 . . . . 39 GLY HA2 . 10138 1 496 . 1 1 39 39 GLY HA3 H 1 2.410 0.030 . 2 . . . . 39 GLY HA3 . 10138 1 497 . 1 1 39 39 GLY C C 13 173.425 0.300 . 1 . . . . 39 GLY C . 10138 1 498 . 1 1 39 39 GLY CA C 13 43.339 0.300 . 1 . . . . 39 GLY CA . 10138 1 499 . 1 1 39 39 GLY N N 15 107.595 0.300 . 1 . . . . 39 GLY N . 10138 1 500 . 1 1 40 40 TRP H H 1 8.318 0.030 . 1 . . . . 40 TRP H . 10138 1 501 . 1 1 40 40 TRP HA H 1 4.946 0.030 . 1 . . . . 40 TRP HA . 10138 1 502 . 1 1 40 40 TRP HB2 H 1 3.123 0.030 . 1 . . . . 40 TRP HB2 . 10138 1 503 . 1 1 40 40 TRP HB3 H 1 3.123 0.030 . 1 . . . . 40 TRP HB3 . 10138 1 504 . 1 1 40 40 TRP HD1 H 1 7.458 0.030 . 1 . . . . 40 TRP HD1 . 10138 1 505 . 1 1 40 40 TRP HE1 H 1 10.153 0.030 . 1 . . . . 40 TRP HE1 . 10138 1 506 . 1 1 40 40 TRP HE3 H 1 7.281 0.030 . 1 . . . . 40 TRP HE3 . 10138 1 507 . 1 1 40 40 TRP HZ2 H 1 7.412 0.030 . 1 . . . . 40 TRP HZ2 . 10138 1 508 . 1 1 40 40 TRP HH2 H 1 7.098 0.030 . 1 . . . . 40 TRP HH2 . 10138 1 509 . 1 1 40 40 TRP C C 13 178.823 0.300 . 1 . . . . 40 TRP C . 10138 1 510 . 1 1 40 40 TRP CA C 13 57.799 0.300 . 1 . . . . 40 TRP CA . 10138 1 511 . 1 1 40 40 TRP CB C 13 30.606 0.300 . 1 . . . . 40 TRP CB . 10138 1 512 . 1 1 40 40 TRP CD1 C 13 127.469 0.300 . 1 . . . . 40 TRP CD1 . 10138 1 513 . 1 1 40 40 TRP CE3 C 13 119.473 0.300 . 1 . . . . 40 TRP CE3 . 10138 1 514 . 1 1 40 40 TRP CZ2 C 13 114.939 0.300 . 1 . . . . 40 TRP CZ2 . 10138 1 515 . 1 1 40 40 TRP CZ3 C 13 122.009 0.300 . 1 . . . . 40 TRP CZ3 . 10138 1 516 . 1 1 40 40 TRP CH2 C 13 124.508 0.300 . 1 . . . . 40 TRP CH2 . 10138 1 517 . 1 1 40 40 TRP N N 15 120.167 0.300 . 1 . . . . 40 TRP N . 10138 1 518 . 1 1 40 40 TRP NE1 N 15 128.538 0.300 . 1 . . . . 40 TRP NE1 . 10138 1 519 . 1 1 41 41 ARG H H 1 9.860 0.030 . 1 . . . . 41 ARG H . 10138 1 520 . 1 1 41 41 ARG HA H 1 4.859 0.030 . 1 . . . . 41 ARG HA . 10138 1 521 . 1 1 41 41 ARG HB2 H 1 1.796 0.030 . 1 . . . . 41 ARG HB2 . 10138 1 522 . 1 1 41 41 ARG HB3 H 1 1.796 0.030 . 1 . . . . 41 ARG HB3 . 10138 1 523 . 1 1 41 41 ARG HG2 H 1 1.656 0.030 . 2 . . . . 41 ARG HG2 . 10138 1 524 . 1 1 41 41 ARG HG3 H 1 1.398 0.030 . 2 . . . . 41 ARG HG3 . 10138 1 525 . 1 1 41 41 ARG HD2 H 1 3.600 0.030 . 2 . . . . 41 ARG HD2 . 10138 1 526 . 1 1 41 41 ARG HD3 H 1 3.295 0.030 . 2 . . . . 41 ARG HD3 . 10138 1 527 . 1 1 41 41 ARG HE H 1 7.425 0.030 . 1 . . . . 41 ARG HE . 10138 1 528 . 1 1 41 41 ARG C C 13 174.594 0.300 . 1 . . . . 41 ARG C . 10138 1 529 . 1 1 41 41 ARG CA C 13 53.344 0.300 . 1 . . . . 41 ARG CA . 10138 1 530 . 1 1 41 41 ARG CB C 13 35.322 0.300 . 1 . . . . 41 ARG CB . 10138 1 531 . 1 1 41 41 ARG CG C 13 26.226 0.300 . 1 . . . . 41 ARG CG . 10138 1 532 . 1 1 41 41 ARG CD C 13 42.555 0.300 . 1 . . . . 41 ARG CD . 10138 1 533 . 1 1 41 41 ARG N N 15 122.861 0.300 . 1 . . . . 41 ARG N . 10138 1 534 . 1 1 41 41 ARG NE N 15 84.467 0.300 . 1 . . . . 41 ARG NE . 10138 1 535 . 1 1 42 42 ALA H H 1 8.582 0.030 . 1 . . . . 42 ALA H . 10138 1 536 . 1 1 42 42 ALA HA H 1 4.648 0.030 . 1 . . . . 42 ALA HA . 10138 1 537 . 1 1 42 42 ALA HB1 H 1 1.462 0.030 . 1 . . . . 42 ALA HB . 10138 1 538 . 1 1 42 42 ALA HB2 H 1 1.462 0.030 . 1 . . . . 42 ALA HB . 10138 1 539 . 1 1 42 42 ALA HB3 H 1 1.462 0.030 . 1 . . . . 42 ALA HB . 10138 1 540 . 1 1 42 42 ALA C C 13 177.144 0.300 . 1 . . . . 42 ALA C . 10138 1 541 . 1 1 42 42 ALA CA C 13 51.912 0.300 . 1 . . . . 42 ALA CA . 10138 1 542 . 1 1 42 42 ALA CB C 13 19.237 0.300 . 1 . . . . 42 ALA CB . 10138 1 543 . 1 1 42 42 ALA N N 15 124.582 0.300 . 1 . . . . 42 ALA N . 10138 1 544 . 1 1 43 43 ILE H H 1 7.965 0.030 . 1 . . . . 43 ILE H . 10138 1 545 . 1 1 43 43 ILE HA H 1 4.174 0.030 . 1 . . . . 43 ILE HA . 10138 1 546 . 1 1 43 43 ILE HB H 1 1.594 0.030 . 1 . . . . 43 ILE HB . 10138 1 547 . 1 1 43 43 ILE HG12 H 1 0.678 0.030 . 2 . . . . 43 ILE HG12 . 10138 1 548 . 1 1 43 43 ILE HG13 H 1 1.461 0.030 . 2 . . . . 43 ILE HG13 . 10138 1 549 . 1 1 43 43 ILE HG21 H 1 0.854 0.030 . 1 . . . . 43 ILE HG2 . 10138 1 550 . 1 1 43 43 ILE HG22 H 1 0.854 0.030 . 1 . . . . 43 ILE HG2 . 10138 1 551 . 1 1 43 43 ILE HG23 H 1 0.854 0.030 . 1 . . . . 43 ILE HG2 . 10138 1 552 . 1 1 43 43 ILE HD11 H 1 0.619 0.030 . 1 . . . . 43 ILE HD1 . 10138 1 553 . 1 1 43 43 ILE HD12 H 1 0.619 0.030 . 1 . . . . 43 ILE HD1 . 10138 1 554 . 1 1 43 43 ILE HD13 H 1 0.619 0.030 . 1 . . . . 43 ILE HD1 . 10138 1 555 . 1 1 43 43 ILE C C 13 176.289 0.300 . 1 . . . . 43 ILE C . 10138 1 556 . 1 1 43 43 ILE CA C 13 62.003 0.300 . 1 . . . . 43 ILE CA . 10138 1 557 . 1 1 43 43 ILE CB C 13 38.379 0.300 . 1 . . . . 43 ILE CB . 10138 1 558 . 1 1 43 43 ILE CG1 C 13 28.038 0.300 . 1 . . . . 43 ILE CG1 . 10138 1 559 . 1 1 43 43 ILE CG2 C 13 17.715 0.300 . 1 . . . . 43 ILE CG2 . 10138 1 560 . 1 1 43 43 ILE CD1 C 13 13.100 0.300 . 1 . . . . 43 ILE CD1 . 10138 1 561 . 1 1 43 43 ILE N N 15 121.317 0.300 . 1 . . . . 43 ILE N . 10138 1 562 . 1 1 44 44 GLU H H 1 9.118 0.030 . 1 . . . . 44 GLU H . 10138 1 563 . 1 1 44 44 GLU HA H 1 4.416 0.030 . 1 . . . . 44 GLU HA . 10138 1 564 . 1 1 44 44 GLU HB2 H 1 1.653 0.030 . 2 . . . . 44 GLU HB2 . 10138 1 565 . 1 1 44 44 GLU HB3 H 1 1.937 0.030 . 2 . . . . 44 GLU HB3 . 10138 1 566 . 1 1 44 44 GLU HG2 H 1 2.087 0.030 . 2 . . . . 44 GLU HG2 . 10138 1 567 . 1 1 44 44 GLU HG3 H 1 2.175 0.030 . 2 . . . . 44 GLU HG3 . 10138 1 568 . 1 1 44 44 GLU C C 13 175.910 0.300 . 1 . . . . 44 GLU C . 10138 1 569 . 1 1 44 44 GLU CA C 13 57.015 0.300 . 1 . . . . 44 GLU CA . 10138 1 570 . 1 1 44 44 GLU CB C 13 31.669 0.300 . 1 . . . . 44 GLU CB . 10138 1 571 . 1 1 44 44 GLU CG C 13 36.601 0.300 . 1 . . . . 44 GLU CG . 10138 1 572 . 1 1 44 44 GLU N N 15 128.555 0.300 . 1 . . . . 44 GLU N . 10138 1 573 . 1 1 45 45 ASP H H 1 7.839 0.030 . 1 . . . . 45 ASP H . 10138 1 574 . 1 1 45 45 ASP HA H 1 4.823 0.030 . 1 . . . . 45 ASP HA . 10138 1 575 . 1 1 45 45 ASP HB2 H 1 2.649 0.030 . 2 . . . . 45 ASP HB2 . 10138 1 576 . 1 1 45 45 ASP HB3 H 1 2.245 0.030 . 2 . . . . 45 ASP HB3 . 10138 1 577 . 1 1 45 45 ASP C C 13 173.458 0.300 . 1 . . . . 45 ASP C . 10138 1 578 . 1 1 45 45 ASP CA C 13 53.742 0.300 . 1 . . . . 45 ASP CA . 10138 1 579 . 1 1 45 45 ASP CB C 13 43.356 0.300 . 1 . . . . 45 ASP CB . 10138 1 580 . 1 1 45 45 ASP N N 15 116.000 0.300 . 1 . . . . 45 ASP N . 10138 1 581 . 1 1 46 46 LEU H H 1 8.357 0.030 . 1 . . . . 46 LEU H . 10138 1 582 . 1 1 46 46 LEU HA H 1 5.201 0.030 . 1 . . . . 46 LEU HA . 10138 1 583 . 1 1 46 46 LEU HB2 H 1 1.606 0.030 . 1 . . . . 46 LEU HB2 . 10138 1 584 . 1 1 46 46 LEU HB3 H 1 1.606 0.030 . 1 . . . . 46 LEU HB3 . 10138 1 585 . 1 1 46 46 LEU HG H 1 1.550 0.030 . 1 . . . . 46 LEU HG . 10138 1 586 . 1 1 46 46 LEU HD11 H 1 0.766 0.030 . 1 . . . . 46 LEU HD1 . 10138 1 587 . 1 1 46 46 LEU HD12 H 1 0.766 0.030 . 1 . . . . 46 LEU HD1 . 10138 1 588 . 1 1 46 46 LEU HD13 H 1 0.766 0.030 . 1 . . . . 46 LEU HD1 . 10138 1 589 . 1 1 46 46 LEU HD21 H 1 0.752 0.030 . 1 . . . . 46 LEU HD2 . 10138 1 590 . 1 1 46 46 LEU HD22 H 1 0.752 0.030 . 1 . . . . 46 LEU HD2 . 10138 1 591 . 1 1 46 46 LEU HD23 H 1 0.752 0.030 . 1 . . . . 46 LEU HD2 . 10138 1 592 . 1 1 46 46 LEU C C 13 175.186 0.300 . 1 . . . . 46 LEU C . 10138 1 593 . 1 1 46 46 LEU CA C 13 55.395 0.300 . 1 . . . . 46 LEU CA . 10138 1 594 . 1 1 46 46 LEU CB C 13 45.447 0.300 . 1 . . . . 46 LEU CB . 10138 1 595 . 1 1 46 46 LEU CG C 13 27.322 0.300 . 1 . . . . 46 LEU CG . 10138 1 596 . 1 1 46 46 LEU CD1 C 13 26.445 0.300 . 2 . . . . 46 LEU CD1 . 10138 1 597 . 1 1 46 46 LEU CD2 C 13 27.033 0.300 . 2 . . . . 46 LEU CD2 . 10138 1 598 . 1 1 46 46 LEU N N 15 123.272 0.300 . 1 . . . . 46 LEU N . 10138 1 599 . 1 1 47 47 TYR H H 1 8.302 0.030 . 1 . . . . 47 TYR H . 10138 1 600 . 1 1 47 47 TYR HA H 1 4.701 0.030 . 1 . . . . 47 TYR HA . 10138 1 601 . 1 1 47 47 TYR HB2 H 1 2.948 0.030 . 2 . . . . 47 TYR HB2 . 10138 1 602 . 1 1 47 47 TYR HB3 H 1 3.356 0.030 . 2 . . . . 47 TYR HB3 . 10138 1 603 . 1 1 47 47 TYR HD1 H 1 6.568 0.030 . 1 . . . . 47 TYR HD1 . 10138 1 604 . 1 1 47 47 TYR HD2 H 1 6.568 0.030 . 1 . . . . 47 TYR HD2 . 10138 1 605 . 1 1 47 47 TYR HE1 H 1 6.533 0.030 . 1 . . . . 47 TYR HE1 . 10138 1 606 . 1 1 47 47 TYR HE2 H 1 6.533 0.030 . 1 . . . . 47 TYR HE2 . 10138 1 607 . 1 1 47 47 TYR C C 13 172.751 0.300 . 1 . . . . 47 TYR C . 10138 1 608 . 1 1 47 47 TYR CA C 13 56.043 0.300 . 1 . . . . 47 TYR CA . 10138 1 609 . 1 1 47 47 TYR CB C 13 38.743 0.300 . 1 . . . . 47 TYR CB . 10138 1 610 . 1 1 47 47 TYR CD1 C 13 133.787 0.300 . 1 . . . . 47 TYR CD1 . 10138 1 611 . 1 1 47 47 TYR CD2 C 13 133.787 0.300 . 1 . . . . 47 TYR CD2 . 10138 1 612 . 1 1 47 47 TYR CE1 C 13 119.088 0.300 . 1 . . . . 47 TYR CE1 . 10138 1 613 . 1 1 47 47 TYR CE2 C 13 119.088 0.300 . 1 . . . . 47 TYR CE2 . 10138 1 614 . 1 1 47 47 TYR N N 15 119.688 0.300 . 1 . . . . 47 TYR N . 10138 1 615 . 1 1 48 48 ARG H H 1 8.599 0.030 . 1 . . . . 48 ARG H . 10138 1 616 . 1 1 48 48 ARG HA H 1 5.052 0.030 . 1 . . . . 48 ARG HA . 10138 1 617 . 1 1 48 48 ARG HB2 H 1 1.657 0.030 . 2 . . . . 48 ARG HB2 . 10138 1 618 . 1 1 48 48 ARG HB3 H 1 1.790 0.030 . 2 . . . . 48 ARG HB3 . 10138 1 619 . 1 1 48 48 ARG HG2 H 1 1.569 0.030 . 2 . . . . 48 ARG HG2 . 10138 1 620 . 1 1 48 48 ARG HG3 H 1 1.431 0.030 . 2 . . . . 48 ARG HG3 . 10138 1 621 . 1 1 48 48 ARG HD2 H 1 3.147 0.030 . 2 . . . . 48 ARG HD2 . 10138 1 622 . 1 1 48 48 ARG HD3 H 1 3.103 0.030 . 2 . . . . 48 ARG HD3 . 10138 1 623 . 1 1 48 48 ARG C C 13 176.832 0.300 . 1 . . . . 48 ARG C . 10138 1 624 . 1 1 48 48 ARG CA C 13 54.980 0.300 . 1 . . . . 48 ARG CA . 10138 1 625 . 1 1 48 48 ARG CB C 13 31.970 0.300 . 1 . . . . 48 ARG CB . 10138 1 626 . 1 1 48 48 ARG CG C 13 27.942 0.300 . 1 . . . . 48 ARG CG . 10138 1 627 . 1 1 48 48 ARG CD C 13 43.237 0.300 . 1 . . . . 48 ARG CD . 10138 1 628 . 1 1 48 48 ARG N N 15 118.547 0.300 . 1 . . . . 48 ARG N . 10138 1 629 . 1 1 49 49 VAL H H 1 8.614 0.030 . 1 . . . . 49 VAL H . 10138 1 630 . 1 1 49 49 VAL HA H 1 4.098 0.030 . 1 . . . . 49 VAL HA . 10138 1 631 . 1 1 49 49 VAL HB H 1 1.604 0.030 . 1 . . . . 49 VAL HB . 10138 1 632 . 1 1 49 49 VAL HG11 H 1 0.798 0.030 . 1 . . . . 49 VAL HG1 . 10138 1 633 . 1 1 49 49 VAL HG12 H 1 0.798 0.030 . 1 . . . . 49 VAL HG1 . 10138 1 634 . 1 1 49 49 VAL HG13 H 1 0.798 0.030 . 1 . . . . 49 VAL HG1 . 10138 1 635 . 1 1 49 49 VAL HG21 H 1 0.520 0.030 . 1 . . . . 49 VAL HG2 . 10138 1 636 . 1 1 49 49 VAL HG22 H 1 0.520 0.030 . 1 . . . . 49 VAL HG2 . 10138 1 637 . 1 1 49 49 VAL HG23 H 1 0.520 0.030 . 1 . . . . 49 VAL HG2 . 10138 1 638 . 1 1 49 49 VAL C C 13 176.832 0.300 . 1 . . . . 49 VAL C . 10138 1 639 . 1 1 49 49 VAL CA C 13 61.906 0.300 . 1 . . . . 49 VAL CA . 10138 1 640 . 1 1 49 49 VAL CB C 13 32.734 0.300 . 1 . . . . 49 VAL CB . 10138 1 641 . 1 1 49 49 VAL CG1 C 13 20.590 0.300 . 2 . . . . 49 VAL CG1 . 10138 1 642 . 1 1 49 49 VAL CG2 C 13 20.334 0.300 . 2 . . . . 49 VAL CG2 . 10138 1 643 . 1 1 49 49 VAL N N 15 124.537 0.300 . 1 . . . . 49 VAL N . 10138 1 644 . 1 1 50 50 GLY H H 1 9.057 0.030 . 1 . . . . 50 GLY H . 10138 1 645 . 1 1 50 50 GLY HA2 H 1 4.024 0.030 . 2 . . . . 50 GLY HA2 . 10138 1 646 . 1 1 50 50 GLY HA3 H 1 3.672 0.030 . 2 . . . . 50 GLY HA3 . 10138 1 647 . 1 1 50 50 GLY C C 13 175.038 0.300 . 1 . . . . 50 GLY C . 10138 1 648 . 1 1 50 50 GLY CA C 13 47.127 0.300 . 1 . . . . 50 GLY CA . 10138 1 649 . 1 1 50 50 GLY N N 15 118.892 0.300 . 1 . . . . 50 GLY N . 10138 1 650 . 1 1 51 51 GLU H H 1 9.142 0.030 . 1 . . . . 51 GLU H . 10138 1 651 . 1 1 51 51 GLU HA H 1 4.378 0.030 . 1 . . . . 51 GLU HA . 10138 1 652 . 1 1 51 51 GLU HB2 H 1 2.292 0.030 . 2 . . . . 51 GLU HB2 . 10138 1 653 . 1 1 51 51 GLU HB3 H 1 1.908 0.030 . 2 . . . . 51 GLU HB3 . 10138 1 654 . 1 1 51 51 GLU HG2 H 1 2.256 0.030 . 2 . . . . 51 GLU HG2 . 10138 1 655 . 1 1 51 51 GLU HG3 H 1 2.315 0.030 . 2 . . . . 51 GLU HG3 . 10138 1 656 . 1 1 51 51 GLU C C 13 176.634 0.300 . 1 . . . . 51 GLU C . 10138 1 657 . 1 1 51 51 GLU CA C 13 56.446 0.300 . 1 . . . . 51 GLU CA . 10138 1 658 . 1 1 51 51 GLU CB C 13 30.112 0.300 . 1 . . . . 51 GLU CB . 10138 1 659 . 1 1 51 51 GLU CG C 13 36.407 0.300 . 1 . . . . 51 GLU CG . 10138 1 660 . 1 1 51 51 GLU N N 15 125.878 0.300 . 1 . . . . 51 GLU N . 10138 1 661 . 1 1 52 52 GLU H H 1 8.004 0.030 . 1 . . . . 52 GLU H . 10138 1 662 . 1 1 52 52 GLU HA H 1 4.554 0.030 . 1 . . . . 52 GLU HA . 10138 1 663 . 1 1 52 52 GLU HB2 H 1 2.028 0.030 . 2 . . . . 52 GLU HB2 . 10138 1 664 . 1 1 52 52 GLU HB3 H 1 2.002 0.030 . 2 . . . . 52 GLU HB3 . 10138 1 665 . 1 1 52 52 GLU HG2 H 1 2.334 0.030 . 2 . . . . 52 GLU HG2 . 10138 1 666 . 1 1 52 52 GLU HG3 H 1 2.164 0.030 . 2 . . . . 52 GLU HG3 . 10138 1 667 . 1 1 52 52 GLU C C 13 174.495 0.300 . 1 . . . . 52 GLU C . 10138 1 668 . 1 1 52 52 GLU CA C 13 55.770 0.300 . 1 . . . . 52 GLU CA . 10138 1 669 . 1 1 52 52 GLU CB C 13 32.351 0.300 . 1 . . . . 52 GLU CB . 10138 1 670 . 1 1 52 52 GLU CG C 13 37.220 0.300 . 1 . . . . 52 GLU CG . 10138 1 671 . 1 1 52 52 GLU N N 15 119.424 0.300 . 1 . . . . 52 GLU N . 10138 1 672 . 1 1 53 53 LEU H H 1 8.679 0.030 . 1 . . . . 53 LEU H . 10138 1 673 . 1 1 53 53 LEU HA H 1 4.587 0.030 . 1 . . . . 53 LEU HA . 10138 1 674 . 1 1 53 53 LEU HB2 H 1 1.535 0.030 . 2 . . . . 53 LEU HB2 . 10138 1 675 . 1 1 53 53 LEU HB3 H 1 1.743 0.030 . 2 . . . . 53 LEU HB3 . 10138 1 676 . 1 1 53 53 LEU HG H 1 1.544 0.030 . 1 . . . . 53 LEU HG . 10138 1 677 . 1 1 53 53 LEU HD11 H 1 0.769 0.030 . 1 . . . . 53 LEU HD1 . 10138 1 678 . 1 1 53 53 LEU HD12 H 1 0.769 0.030 . 1 . . . . 53 LEU HD1 . 10138 1 679 . 1 1 53 53 LEU HD13 H 1 0.769 0.030 . 1 . . . . 53 LEU HD1 . 10138 1 680 . 1 1 53 53 LEU HD21 H 1 0.700 0.030 . 1 . . . . 53 LEU HD2 . 10138 1 681 . 1 1 53 53 LEU HD22 H 1 0.700 0.030 . 1 . . . . 53 LEU HD2 . 10138 1 682 . 1 1 53 53 LEU HD23 H 1 0.700 0.030 . 1 . . . . 53 LEU HD2 . 10138 1 683 . 1 1 53 53 LEU C C 13 174.528 0.300 . 1 . . . . 53 LEU C . 10138 1 684 . 1 1 53 53 LEU CA C 13 54.390 0.300 . 1 . . . . 53 LEU CA . 10138 1 685 . 1 1 53 53 LEU CB C 13 44.555 0.300 . 1 . . . . 53 LEU CB . 10138 1 686 . 1 1 53 53 LEU CG C 13 27.351 0.300 . 1 . . . . 53 LEU CG . 10138 1 687 . 1 1 53 53 LEU CD1 C 13 24.828 0.300 . 2 . . . . 53 LEU CD1 . 10138 1 688 . 1 1 53 53 LEU CD2 C 13 24.999 0.300 . 2 . . . . 53 LEU CD2 . 10138 1 689 . 1 1 53 53 LEU N N 15 123.738 0.300 . 1 . . . . 53 LEU N . 10138 1 690 . 1 1 54 54 VAL H H 1 8.772 0.030 . 1 . . . . 54 VAL H . 10138 1 691 . 1 1 54 54 VAL HA H 1 4.325 0.030 . 1 . . . . 54 VAL HA . 10138 1 692 . 1 1 54 54 VAL HB H 1 0.899 0.030 . 1 . . . . 54 VAL HB . 10138 1 693 . 1 1 54 54 VAL HG11 H 1 0.174 0.030 . 1 . . . . 54 VAL HG1 . 10138 1 694 . 1 1 54 54 VAL HG12 H 1 0.174 0.030 . 1 . . . . 54 VAL HG1 . 10138 1 695 . 1 1 54 54 VAL HG13 H 1 0.174 0.030 . 1 . . . . 54 VAL HG1 . 10138 1 696 . 1 1 54 54 VAL HG21 H 1 0.438 0.030 . 1 . . . . 54 VAL HG2 . 10138 1 697 . 1 1 54 54 VAL HG22 H 1 0.438 0.030 . 1 . . . . 54 VAL HG2 . 10138 1 698 . 1 1 54 54 VAL HG23 H 1 0.438 0.030 . 1 . . . . 54 VAL HG2 . 10138 1 699 . 1 1 54 54 VAL C C 13 173.590 0.300 . 1 . . . . 54 VAL C . 10138 1 700 . 1 1 54 54 VAL CA C 13 61.259 0.300 . 1 . . . . 54 VAL CA . 10138 1 701 . 1 1 54 54 VAL CB C 13 33.434 0.300 . 1 . . . . 54 VAL CB . 10138 1 702 . 1 1 54 54 VAL CG1 C 13 20.902 0.300 . 2 . . . . 54 VAL CG1 . 10138 1 703 . 1 1 54 54 VAL CG2 C 13 21.646 0.300 . 2 . . . . 54 VAL CG2 . 10138 1 704 . 1 1 54 54 VAL N N 15 124.965 0.300 . 1 . . . . 54 VAL N . 10138 1 705 . 1 1 55 55 VAL H H 1 8.875 0.030 . 1 . . . . 55 VAL H . 10138 1 706 . 1 1 55 55 VAL HA H 1 4.574 0.030 . 1 . . . . 55 VAL HA . 10138 1 707 . 1 1 55 55 VAL HB H 1 1.837 0.030 . 1 . . . . 55 VAL HB . 10138 1 708 . 1 1 55 55 VAL HG11 H 1 0.753 0.030 . 1 . . . . 55 VAL HG1 . 10138 1 709 . 1 1 55 55 VAL HG12 H 1 0.753 0.030 . 1 . . . . 55 VAL HG1 . 10138 1 710 . 1 1 55 55 VAL HG13 H 1 0.753 0.030 . 1 . . . . 55 VAL HG1 . 10138 1 711 . 1 1 55 55 VAL HG21 H 1 0.822 0.030 . 1 . . . . 55 VAL HG2 . 10138 1 712 . 1 1 55 55 VAL HG22 H 1 0.822 0.030 . 1 . . . . 55 VAL HG2 . 10138 1 713 . 1 1 55 55 VAL HG23 H 1 0.822 0.030 . 1 . . . . 55 VAL HG2 . 10138 1 714 . 1 1 55 55 VAL C C 13 174.511 0.300 . 1 . . . . 55 VAL C . 10138 1 715 . 1 1 55 55 VAL CA C 13 59.537 0.300 . 1 . . . . 55 VAL CA . 10138 1 716 . 1 1 55 55 VAL CB C 13 35.924 0.300 . 1 . . . . 55 VAL CB . 10138 1 717 . 1 1 55 55 VAL CG1 C 13 21.464 0.300 . 2 . . . . 55 VAL CG1 . 10138 1 718 . 1 1 55 55 VAL CG2 C 13 21.487 0.300 . 2 . . . . 55 VAL CG2 . 10138 1 719 . 1 1 55 55 VAL N N 15 122.231 0.300 . 1 . . . . 55 VAL N . 10138 1 720 . 1 1 56 56 HIS H H 1 8.801 0.030 . 1 . . . . 56 HIS H . 10138 1 721 . 1 1 56 56 HIS HA H 1 4.975 0.030 . 1 . . . . 56 HIS HA . 10138 1 722 . 1 1 56 56 HIS HB2 H 1 3.219 0.030 . 2 . . . . 56 HIS HB2 . 10138 1 723 . 1 1 56 56 HIS HB3 H 1 2.847 0.030 . 2 . . . . 56 HIS HB3 . 10138 1 724 . 1 1 56 56 HIS HD2 H 1 6.441 0.030 . 1 . . . . 56 HIS HD2 . 10138 1 725 . 1 1 56 56 HIS HE1 H 1 7.472 0.030 . 1 . . . . 56 HIS HE1 . 10138 1 726 . 1 1 56 56 HIS C C 13 174.808 0.300 . 1 . . . . 56 HIS C . 10138 1 727 . 1 1 56 56 HIS CA C 13 54.418 0.300 . 1 . . . . 56 HIS CA . 10138 1 728 . 1 1 56 56 HIS CB C 13 29.726 0.300 . 1 . . . . 56 HIS CB . 10138 1 729 . 1 1 56 56 HIS CD2 C 13 125.762 0.300 . 1 . . . . 56 HIS CD2 . 10138 1 730 . 1 1 56 56 HIS CE1 C 13 136.622 0.300 . 1 . . . . 56 HIS CE1 . 10138 1 731 . 1 1 56 56 HIS N N 15 124.959 0.300 . 1 . . . . 56 HIS N . 10138 1 732 . 1 1 57 57 LEU H H 1 9.655 0.030 . 1 . . . . 57 LEU H . 10138 1 733 . 1 1 57 57 LEU HA H 1 5.139 0.030 . 1 . . . . 57 LEU HA . 10138 1 734 . 1 1 57 57 LEU HB2 H 1 1.535 0.030 . 2 . . . . 57 LEU HB2 . 10138 1 735 . 1 1 57 57 LEU HB3 H 1 1.235 0.030 . 2 . . . . 57 LEU HB3 . 10138 1 736 . 1 1 57 57 LEU HG H 1 1.453 0.030 . 1 . . . . 57 LEU HG . 10138 1 737 . 1 1 57 57 LEU HD11 H 1 0.672 0.030 . 1 . . . . 57 LEU HD1 . 10138 1 738 . 1 1 57 57 LEU HD12 H 1 0.672 0.030 . 1 . . . . 57 LEU HD1 . 10138 1 739 . 1 1 57 57 LEU HD13 H 1 0.672 0.030 . 1 . . . . 57 LEU HD1 . 10138 1 740 . 1 1 57 57 LEU HD21 H 1 0.657 0.030 . 1 . . . . 57 LEU HD2 . 10138 1 741 . 1 1 57 57 LEU HD22 H 1 0.657 0.030 . 1 . . . . 57 LEU HD2 . 10138 1 742 . 1 1 57 57 LEU HD23 H 1 0.657 0.030 . 1 . . . . 57 LEU HD2 . 10138 1 743 . 1 1 57 57 LEU C C 13 177.753 0.300 . 1 . . . . 57 LEU C . 10138 1 744 . 1 1 57 57 LEU CA C 13 52.179 0.300 . 1 . . . . 57 LEU CA . 10138 1 745 . 1 1 57 57 LEU CB C 13 44.373 0.300 . 1 . . . . 57 LEU CB . 10138 1 746 . 1 1 57 57 LEU CG C 13 26.584 0.300 . 1 . . . . 57 LEU CG . 10138 1 747 . 1 1 57 57 LEU CD1 C 13 26.311 0.300 . 2 . . . . 57 LEU CD1 . 10138 1 748 . 1 1 57 57 LEU CD2 C 13 23.663 0.300 . 2 . . . . 57 LEU CD2 . 10138 1 749 . 1 1 57 57 LEU N N 15 124.748 0.300 . 1 . . . . 57 LEU N . 10138 1 750 . 1 1 58 58 ALA H H 1 8.845 0.030 . 1 . . . . 58 ALA H . 10138 1 751 . 1 1 58 58 ALA HA H 1 4.086 0.030 . 1 . . . . 58 ALA HA . 10138 1 752 . 1 1 58 58 ALA HB1 H 1 1.472 0.030 . 1 . . . . 58 ALA HB . 10138 1 753 . 1 1 58 58 ALA HB2 H 1 1.472 0.030 . 1 . . . . 58 ALA HB . 10138 1 754 . 1 1 58 58 ALA HB3 H 1 1.472 0.030 . 1 . . . . 58 ALA HB . 10138 1 755 . 1 1 58 58 ALA C C 13 178.181 0.300 . 1 . . . . 58 ALA C . 10138 1 756 . 1 1 58 58 ALA CA C 13 53.577 0.300 . 1 . . . . 58 ALA CA . 10138 1 757 . 1 1 58 58 ALA CB C 13 19.317 0.300 . 1 . . . . 58 ALA CB . 10138 1 758 . 1 1 58 58 ALA N N 15 126.663 0.300 . 1 . . . . 58 ALA N . 10138 1 759 . 1 1 59 59 GLY H H 1 9.106 0.030 . 1 . . . . 59 GLY H . 10138 1 760 . 1 1 59 59 GLY HA2 H 1 3.714 0.030 . 2 . . . . 59 GLY HA2 . 10138 1 761 . 1 1 59 59 GLY HA3 H 1 4.204 0.030 . 2 . . . . 59 GLY HA3 . 10138 1 762 . 1 1 59 59 GLY C C 13 174.347 0.300 . 1 . . . . 59 GLY C . 10138 1 763 . 1 1 59 59 GLY CA C 13 45.208 0.300 . 1 . . . . 59 GLY CA . 10138 1 764 . 1 1 59 59 GLY N N 15 109.743 0.300 . 1 . . . . 59 GLY N . 10138 1 765 . 1 1 60 60 VAL H H 1 7.974 0.030 . 1 . . . . 60 VAL H . 10138 1 766 . 1 1 60 60 VAL HA H 1 4.148 0.030 . 1 . . . . 60 VAL HA . 10138 1 767 . 1 1 60 60 VAL HB H 1 2.477 0.030 . 1 . . . . 60 VAL HB . 10138 1 768 . 1 1 60 60 VAL HG11 H 1 0.792 0.030 . 1 . . . . 60 VAL HG1 . 10138 1 769 . 1 1 60 60 VAL HG12 H 1 0.792 0.030 . 1 . . . . 60 VAL HG1 . 10138 1 770 . 1 1 60 60 VAL HG13 H 1 0.792 0.030 . 1 . . . . 60 VAL HG1 . 10138 1 771 . 1 1 60 60 VAL HG21 H 1 0.637 0.030 . 1 . . . . 60 VAL HG2 . 10138 1 772 . 1 1 60 60 VAL HG22 H 1 0.637 0.030 . 1 . . . . 60 VAL HG2 . 10138 1 773 . 1 1 60 60 VAL HG23 H 1 0.637 0.030 . 1 . . . . 60 VAL HG2 . 10138 1 774 . 1 1 60 60 VAL C C 13 175.844 0.300 . 1 . . . . 60 VAL C . 10138 1 775 . 1 1 60 60 VAL CA C 13 62.236 0.300 . 1 . . . . 60 VAL CA . 10138 1 776 . 1 1 60 60 VAL CB C 13 29.220 0.300 . 1 . . . . 60 VAL CB . 10138 1 777 . 1 1 60 60 VAL CG1 C 13 21.788 0.300 . 2 . . . . 60 VAL CG1 . 10138 1 778 . 1 1 60 60 VAL CG2 C 13 21.055 0.300 . 2 . . . . 60 VAL CG2 . 10138 1 779 . 1 1 60 60 VAL N N 15 124.887 0.300 . 1 . . . . 60 VAL N . 10138 1 780 . 1 1 61 61 THR H H 1 6.667 0.030 . 1 . . . . 61 THR H . 10138 1 781 . 1 1 61 61 THR HA H 1 4.488 0.030 . 1 . . . . 61 THR HA . 10138 1 782 . 1 1 61 61 THR HB H 1 4.640 0.030 . 1 . . . . 61 THR HB . 10138 1 783 . 1 1 61 61 THR HG21 H 1 1.088 0.030 . 1 . . . . 61 THR HG2 . 10138 1 784 . 1 1 61 61 THR HG22 H 1 1.088 0.030 . 1 . . . . 61 THR HG2 . 10138 1 785 . 1 1 61 61 THR HG23 H 1 1.088 0.030 . 1 . . . . 61 THR HG2 . 10138 1 786 . 1 1 61 61 THR C C 13 173.458 0.300 . 1 . . . . 61 THR C . 10138 1 787 . 1 1 61 61 THR CA C 13 61.594 0.300 . 1 . . . . 61 THR CA . 10138 1 788 . 1 1 61 61 THR CB C 13 69.088 0.300 . 1 . . . . 61 THR CB . 10138 1 789 . 1 1 61 61 THR CG2 C 13 21.902 0.300 . 1 . . . . 61 THR CG2 . 10138 1 790 . 1 1 61 61 THR N N 15 109.306 0.300 . 1 . . . . 61 THR N . 10138 1 791 . 1 1 62 62 ASP H H 1 7.452 0.030 . 1 . . . . 62 ASP H . 10138 1 792 . 1 1 62 62 ASP HA H 1 4.638 0.030 . 1 . . . . 62 ASP HA . 10138 1 793 . 1 1 62 62 ASP HB2 H 1 2.835 0.030 . 2 . . . . 62 ASP HB2 . 10138 1 794 . 1 1 62 62 ASP HB3 H 1 3.121 0.030 . 2 . . . . 62 ASP HB3 . 10138 1 795 . 1 1 62 62 ASP C C 13 175.236 0.300 . 1 . . . . 62 ASP C . 10138 1 796 . 1 1 62 62 ASP CA C 13 53.259 0.300 . 1 . . . . 62 ASP CA . 10138 1 797 . 1 1 62 62 ASP CB C 13 42.919 0.300 . 1 . . . . 62 ASP CB . 10138 1 798 . 1 1 62 62 ASP N N 15 115.506 0.300 . 1 . . . . 62 ASP N . 10138 1 799 . 1 1 63 63 ARG H H 1 7.948 0.030 . 1 . . . . 63 ARG H . 10138 1 800 . 1 1 63 63 ARG HA H 1 4.068 0.030 . 1 . . . . 63 ARG HA . 10138 1 801 . 1 1 63 63 ARG HB2 H 1 1.920 0.030 . 2 . . . . 63 ARG HB2 . 10138 1 802 . 1 1 63 63 ARG HB3 H 1 1.762 0.030 . 2 . . . . 63 ARG HB3 . 10138 1 803 . 1 1 63 63 ARG HG2 H 1 1.623 0.030 . 2 . . . . 63 ARG HG2 . 10138 1 804 . 1 1 63 63 ARG HG3 H 1 1.749 0.030 . 2 . . . . 63 ARG HG3 . 10138 1 805 . 1 1 63 63 ARG HD2 H 1 3.165 0.030 . 2 . . . . 63 ARG HD2 . 10138 1 806 . 1 1 63 63 ARG HD3 H 1 3.114 0.030 . 2 . . . . 63 ARG HD3 . 10138 1 807 . 1 1 63 63 ARG C C 13 177.128 0.300 . 1 . . . . 63 ARG C . 10138 1 808 . 1 1 63 63 ARG CA C 13 58.833 0.300 . 1 . . . . 63 ARG CA . 10138 1 809 . 1 1 63 63 ARG CB C 13 31.112 0.300 . 1 . . . . 63 ARG CB . 10138 1 810 . 1 1 63 63 ARG CG C 13 28.082 0.300 . 1 . . . . 63 ARG CG . 10138 1 811 . 1 1 63 63 ARG CD C 13 43.322 0.300 . 1 . . . . 63 ARG CD . 10138 1 812 . 1 1 63 63 ARG N N 15 118.903 0.300 . 1 . . . . 63 ARG N . 10138 1 813 . 1 1 64 64 THR H H 1 8.156 0.030 . 1 . . . . 64 THR H . 10138 1 814 . 1 1 64 64 THR HA H 1 3.960 0.030 . 1 . . . . 64 THR HA . 10138 1 815 . 1 1 64 64 THR HB H 1 4.244 0.030 . 1 . . . . 64 THR HB . 10138 1 816 . 1 1 64 64 THR HG21 H 1 1.223 0.030 . 1 . . . . 64 THR HG2 . 10138 1 817 . 1 1 64 64 THR HG22 H 1 1.223 0.030 . 1 . . . . 64 THR HG2 . 10138 1 818 . 1 1 64 64 THR HG23 H 1 1.223 0.030 . 1 . . . . 64 THR HG2 . 10138 1 819 . 1 1 64 64 THR C C 13 177.589 0.300 . 1 . . . . 64 THR C . 10138 1 820 . 1 1 64 64 THR CA C 13 66.384 0.300 . 1 . . . . 64 THR CA . 10138 1 821 . 1 1 64 64 THR CB C 13 68.395 0.300 . 1 . . . . 64 THR CB . 10138 1 822 . 1 1 64 64 THR CG2 C 13 22.112 0.300 . 1 . . . . 64 THR CG2 . 10138 1 823 . 1 1 64 64 THR N N 15 116.515 0.300 . 1 . . . . 64 THR N . 10138 1 824 . 1 1 65 65 LEU H H 1 8.414 0.030 . 1 . . . . 65 LEU H . 10138 1 825 . 1 1 65 65 LEU HA H 1 4.122 0.030 . 1 . . . . 65 LEU HA . 10138 1 826 . 1 1 65 65 LEU HB2 H 1 1.492 0.030 . 2 . . . . 65 LEU HB2 . 10138 1 827 . 1 1 65 65 LEU HB3 H 1 1.743 0.030 . 2 . . . . 65 LEU HB3 . 10138 1 828 . 1 1 65 65 LEU HG H 1 1.898 0.030 . 1 . . . . 65 LEU HG . 10138 1 829 . 1 1 65 65 LEU HD11 H 1 1.078 0.030 . 1 . . . . 65 LEU HD1 . 10138 1 830 . 1 1 65 65 LEU HD12 H 1 1.078 0.030 . 1 . . . . 65 LEU HD1 . 10138 1 831 . 1 1 65 65 LEU HD13 H 1 1.078 0.030 . 1 . . . . 65 LEU HD1 . 10138 1 832 . 1 1 65 65 LEU HD21 H 1 0.939 0.030 . 1 . . . . 65 LEU HD2 . 10138 1 833 . 1 1 65 65 LEU HD22 H 1 0.939 0.030 . 1 . . . . 65 LEU HD2 . 10138 1 834 . 1 1 65 65 LEU HD23 H 1 0.939 0.030 . 1 . . . . 65 LEU HD2 . 10138 1 835 . 1 1 65 65 LEU C C 13 179.218 0.300 . 1 . . . . 65 LEU C . 10138 1 836 . 1 1 65 65 LEU CA C 13 57.543 0.300 . 1 . . . . 65 LEU CA . 10138 1 837 . 1 1 65 65 LEU CB C 13 42.748 0.300 . 1 . . . . 65 LEU CB . 10138 1 838 . 1 1 65 65 LEU CG C 13 27.186 0.300 . 1 . . . . 65 LEU CG . 10138 1 839 . 1 1 65 65 LEU CD1 C 13 26.606 0.300 . 2 . . . . 65 LEU CD1 . 10138 1 840 . 1 1 65 65 LEU CD2 C 13 22.612 0.300 . 2 . . . . 65 LEU CD2 . 10138 1 841 . 1 1 65 65 LEU N N 15 123.195 0.300 . 1 . . . . 65 LEU N . 10138 1 842 . 1 1 66 66 ALA H H 1 7.563 0.030 . 1 . . . . 66 ALA H . 10138 1 843 . 1 1 66 66 ALA HA H 1 3.744 0.030 . 1 . . . . 66 ALA HA . 10138 1 844 . 1 1 66 66 ALA HB1 H 1 1.201 0.030 . 1 . . . . 66 ALA HB . 10138 1 845 . 1 1 66 66 ALA HB2 H 1 1.201 0.030 . 1 . . . . 66 ALA HB . 10138 1 846 . 1 1 66 66 ALA HB3 H 1 1.201 0.030 . 1 . . . . 66 ALA HB . 10138 1 847 . 1 1 66 66 ALA C C 13 179.596 0.300 . 1 . . . . 66 ALA C . 10138 1 848 . 1 1 66 66 ALA CA C 13 55.100 0.300 . 1 . . . . 66 ALA CA . 10138 1 849 . 1 1 66 66 ALA CB C 13 17.942 0.300 . 1 . . . . 66 ALA CB . 10138 1 850 . 1 1 66 66 ALA N N 15 121.540 0.300 . 1 . . . . 66 ALA N . 10138 1 851 . 1 1 67 67 GLU H H 1 8.376 0.030 . 1 . . . . 67 GLU H . 10138 1 852 . 1 1 67 67 GLU HA H 1 3.854 0.030 . 1 . . . . 67 GLU HA . 10138 1 853 . 1 1 67 67 GLU HB2 H 1 2.011 0.030 . 2 . . . . 67 GLU HB2 . 10138 1 854 . 1 1 67 67 GLU HB3 H 1 2.231 0.030 . 2 . . . . 67 GLU HB3 . 10138 1 855 . 1 1 67 67 GLU HG2 H 1 2.320 0.030 . 2 . . . . 67 GLU HG2 . 10138 1 856 . 1 1 67 67 GLU HG3 H 1 2.527 0.030 . 2 . . . . 67 GLU HG3 . 10138 1 857 . 1 1 67 67 GLU C C 13 178.395 0.300 . 1 . . . . 67 GLU C . 10138 1 858 . 1 1 67 67 GLU CA C 13 59.157 0.300 . 1 . . . . 67 GLU CA . 10138 1 859 . 1 1 67 67 GLU CB C 13 29.515 0.300 . 1 . . . . 67 GLU CB . 10138 1 860 . 1 1 67 67 GLU CG C 13 37.453 0.300 . 1 . . . . 67 GLU CG . 10138 1 861 . 1 1 67 67 GLU N N 15 117.047 0.300 . 1 . . . . 67 GLU N . 10138 1 862 . 1 1 68 68 ALA H H 1 6.901 0.030 . 1 . . . . 68 ALA H . 10138 1 863 . 1 1 68 68 ALA HA H 1 4.239 0.030 . 1 . . . . 68 ALA HA . 10138 1 864 . 1 1 68 68 ALA HB1 H 1 1.491 0.030 . 1 . . . . 68 ALA HB . 10138 1 865 . 1 1 68 68 ALA HB2 H 1 1.491 0.030 . 1 . . . . 68 ALA HB . 10138 1 866 . 1 1 68 68 ALA HB3 H 1 1.491 0.030 . 1 . . . . 68 ALA HB . 10138 1 867 . 1 1 68 68 ALA C C 13 178.461 0.300 . 1 . . . . 68 ALA C . 10138 1 868 . 1 1 68 68 ALA CA C 13 53.797 0.300 . 1 . . . . 68 ALA CA . 10138 1 869 . 1 1 68 68 ALA CB C 13 18.521 0.300 . 1 . . . . 68 ALA CB . 10138 1 870 . 1 1 68 68 ALA N N 15 117.438 0.300 . 1 . . . . 68 ALA N . 10138 1 871 . 1 1 69 69 LEU H H 1 7.792 0.030 . 1 . . . . 69 LEU H . 10138 1 872 . 1 1 69 69 LEU HA H 1 4.486 0.030 . 1 . . . . 69 LEU HA . 10138 1 873 . 1 1 69 69 LEU HB2 H 1 1.586 0.030 . 2 . . . . 69 LEU HB2 . 10138 1 874 . 1 1 69 69 LEU HB3 H 1 1.519 0.030 . 2 . . . . 69 LEU HB3 . 10138 1 875 . 1 1 69 69 LEU HG H 1 1.472 0.030 . 1 . . . . 69 LEU HG . 10138 1 876 . 1 1 69 69 LEU HD11 H 1 0.494 0.030 . 1 . . . . 69 LEU HD1 . 10138 1 877 . 1 1 69 69 LEU HD12 H 1 0.494 0.030 . 1 . . . . 69 LEU HD1 . 10138 1 878 . 1 1 69 69 LEU HD13 H 1 0.494 0.030 . 1 . . . . 69 LEU HD1 . 10138 1 879 . 1 1 69 69 LEU HD21 H 1 0.177 0.030 . 1 . . . . 69 LEU HD2 . 10138 1 880 . 1 1 69 69 LEU HD22 H 1 0.177 0.030 . 1 . . . . 69 LEU HD2 . 10138 1 881 . 1 1 69 69 LEU HD23 H 1 0.177 0.030 . 1 . . . . 69 LEU HD2 . 10138 1 882 . 1 1 69 69 LEU C C 13 176.124 0.300 . 1 . . . . 69 LEU C . 10138 1 883 . 1 1 69 69 LEU CA C 13 54.043 0.300 . 1 . . . . 69 LEU CA . 10138 1 884 . 1 1 69 69 LEU CB C 13 41.629 0.300 . 1 . . . . 69 LEU CB . 10138 1 885 . 1 1 69 69 LEU CG C 13 27.629 0.300 . 1 . . . . 69 LEU CG . 10138 1 886 . 1 1 69 69 LEU CD1 C 13 26.061 0.300 . 2 . . . . 69 LEU CD1 . 10138 1 887 . 1 1 69 69 LEU CD2 C 13 22.874 0.300 . 2 . . . . 69 LEU CD2 . 10138 1 888 . 1 1 69 69 LEU N N 15 117.336 0.300 . 1 . . . . 69 LEU N . 10138 1 889 . 1 1 70 70 VAL H H 1 6.839 0.030 . 1 . . . . 70 VAL H . 10138 1 890 . 1 1 70 70 VAL HA H 1 3.348 0.030 . 1 . . . . 70 VAL HA . 10138 1 891 . 1 1 70 70 VAL HB H 1 1.950 0.030 . 1 . . . . 70 VAL HB . 10138 1 892 . 1 1 70 70 VAL HG11 H 1 1.236 0.030 . 1 . . . . 70 VAL HG1 . 10138 1 893 . 1 1 70 70 VAL HG12 H 1 1.236 0.030 . 1 . . . . 70 VAL HG1 . 10138 1 894 . 1 1 70 70 VAL HG13 H 1 1.236 0.030 . 1 . . . . 70 VAL HG1 . 10138 1 895 . 1 1 70 70 VAL HG21 H 1 0.830 0.030 . 1 . . . . 70 VAL HG2 . 10138 1 896 . 1 1 70 70 VAL HG22 H 1 0.830 0.030 . 1 . . . . 70 VAL HG2 . 10138 1 897 . 1 1 70 70 VAL HG23 H 1 0.830 0.030 . 1 . . . . 70 VAL HG2 . 10138 1 898 . 1 1 70 70 VAL C C 13 177.967 0.300 . 1 . . . . 70 VAL C . 10138 1 899 . 1 1 70 70 VAL CA C 13 65.238 0.300 . 1 . . . . 70 VAL CA . 10138 1 900 . 1 1 70 70 VAL CB C 13 32.049 0.300 . 1 . . . . 70 VAL CB . 10138 1 901 . 1 1 70 70 VAL CG1 C 13 22.800 0.300 . 2 . . . . 70 VAL CG1 . 10138 1 902 . 1 1 70 70 VAL CG2 C 13 20.345 0.300 . 2 . . . . 70 VAL CG2 . 10138 1 903 . 1 1 70 70 VAL N N 15 119.250 0.300 . 1 . . . . 70 VAL N . 10138 1 904 . 1 1 71 71 GLY H H 1 8.084 0.030 . 1 . . . . 71 GLY H . 10138 1 905 . 1 1 71 71 GLY HA2 H 1 3.763 0.030 . 2 . . . . 71 GLY HA2 . 10138 1 906 . 1 1 71 71 GLY HA3 H 1 4.308 0.030 . 2 . . . . 71 GLY HA3 . 10138 1 907 . 1 1 71 71 GLY C C 13 174.281 0.300 . 1 . . . . 71 GLY C . 10138 1 908 . 1 1 71 71 GLY CA C 13 45.237 0.300 . 1 . . . . 71 GLY CA . 10138 1 909 . 1 1 71 71 GLY N N 15 114.826 0.300 . 1 . . . . 71 GLY N . 10138 1 910 . 1 1 72 72 LEU H H 1 7.886 0.030 . 1 . . . . 72 LEU H . 10138 1 911 . 1 1 72 72 LEU HA H 1 4.465 0.030 . 1 . . . . 72 LEU HA . 10138 1 912 . 1 1 72 72 LEU HB2 H 1 2.153 0.030 . 2 . . . . 72 LEU HB2 . 10138 1 913 . 1 1 72 72 LEU HB3 H 1 1.772 0.030 . 2 . . . . 72 LEU HB3 . 10138 1 914 . 1 1 72 72 LEU HG H 1 1.618 0.030 . 1 . . . . 72 LEU HG . 10138 1 915 . 1 1 72 72 LEU HD11 H 1 0.916 0.030 . 1 . . . . 72 LEU HD1 . 10138 1 916 . 1 1 72 72 LEU HD12 H 1 0.916 0.030 . 1 . . . . 72 LEU HD1 . 10138 1 917 . 1 1 72 72 LEU HD13 H 1 0.916 0.030 . 1 . . . . 72 LEU HD1 . 10138 1 918 . 1 1 72 72 LEU HD21 H 1 1.257 0.030 . 1 . . . . 72 LEU HD2 . 10138 1 919 . 1 1 72 72 LEU HD22 H 1 1.257 0.030 . 1 . . . . 72 LEU HD2 . 10138 1 920 . 1 1 72 72 LEU HD23 H 1 1.257 0.030 . 1 . . . . 72 LEU HD2 . 10138 1 921 . 1 1 72 72 LEU C C 13 176.322 0.300 . 1 . . . . 72 LEU C . 10138 1 922 . 1 1 72 72 LEU CA C 13 55.091 0.300 . 1 . . . . 72 LEU CA . 10138 1 923 . 1 1 72 72 LEU CB C 13 41.970 0.300 . 1 . . . . 72 LEU CB . 10138 1 924 . 1 1 72 72 LEU CG C 13 26.919 0.300 . 1 . . . . 72 LEU CG . 10138 1 925 . 1 1 72 72 LEU CD1 C 13 21.714 0.300 . 2 . . . . 72 LEU CD1 . 10138 1 926 . 1 1 72 72 LEU CD2 C 13 27.231 0.300 . 2 . . . . 72 LEU CD2 . 10138 1 927 . 1 1 72 72 LEU N N 15 120.531 0.300 . 1 . . . . 72 LEU N . 10138 1 928 . 1 1 73 73 ARG H H 1 8.904 0.030 . 1 . . . . 73 ARG H . 10138 1 929 . 1 1 73 73 ARG HA H 1 4.360 0.030 . 1 . . . . 73 ARG HA . 10138 1 930 . 1 1 73 73 ARG HB2 H 1 1.905 0.030 . 2 . . . . 73 ARG HB2 . 10138 1 931 . 1 1 73 73 ARG HB3 H 1 1.322 0.030 . 2 . . . . 73 ARG HB3 . 10138 1 932 . 1 1 73 73 ARG HG2 H 1 1.637 0.030 . 2 . . . . 73 ARG HG2 . 10138 1 933 . 1 1 73 73 ARG HG3 H 1 1.743 0.030 . 2 . . . . 73 ARG HG3 . 10138 1 934 . 1 1 73 73 ARG HD2 H 1 3.014 0.030 . 2 . . . . 73 ARG HD2 . 10138 1 935 . 1 1 73 73 ARG HD3 H 1 3.204 0.030 . 2 . . . . 73 ARG HD3 . 10138 1 936 . 1 1 73 73 ARG HE H 1 7.234 0.030 . 1 . . . . 73 ARG HE . 10138 1 937 . 1 1 73 73 ARG C C 13 174.051 0.300 . 1 . . . . 73 ARG C . 10138 1 938 . 1 1 73 73 ARG CA C 13 57.054 0.300 . 1 . . . . 73 ARG CA . 10138 1 939 . 1 1 73 73 ARG CB C 13 32.719 0.300 . 1 . . . . 73 ARG CB . 10138 1 940 . 1 1 73 73 ARG CG C 13 28.038 0.300 . 1 . . . . 73 ARG CG . 10138 1 941 . 1 1 73 73 ARG CD C 13 44.055 0.300 . 1 . . . . 73 ARG CD . 10138 1 942 . 1 1 73 73 ARG N N 15 118.485 0.300 . 1 . . . . 73 ARG N . 10138 1 943 . 1 1 73 73 ARG NE N 15 85.723 0.300 . 1 . . . . 73 ARG NE . 10138 1 944 . 1 1 74 74 VAL H H 1 8.047 0.030 . 1 . . . . 74 VAL H . 10138 1 945 . 1 1 74 74 VAL HA H 1 4.442 0.030 . 1 . . . . 74 VAL HA . 10138 1 946 . 1 1 74 74 VAL HB H 1 1.257 0.030 . 1 . . . . 74 VAL HB . 10138 1 947 . 1 1 74 74 VAL HG11 H 1 0.044 0.030 . 1 . . . . 74 VAL HG1 . 10138 1 948 . 1 1 74 74 VAL HG12 H 1 0.044 0.030 . 1 . . . . 74 VAL HG1 . 10138 1 949 . 1 1 74 74 VAL HG13 H 1 0.044 0.030 . 1 . . . . 74 VAL HG1 . 10138 1 950 . 1 1 74 74 VAL HG21 H 1 0.672 0.030 . 1 . . . . 74 VAL HG2 . 10138 1 951 . 1 1 74 74 VAL HG22 H 1 0.672 0.030 . 1 . . . . 74 VAL HG2 . 10138 1 952 . 1 1 74 74 VAL HG23 H 1 0.672 0.030 . 1 . . . . 74 VAL HG2 . 10138 1 953 . 1 1 74 74 VAL C C 13 174.265 0.300 . 1 . . . . 74 VAL C . 10138 1 954 . 1 1 74 74 VAL CA C 13 61.202 0.300 . 1 . . . . 74 VAL CA . 10138 1 955 . 1 1 74 74 VAL CB C 13 34.169 0.300 . 1 . . . . 74 VAL CB . 10138 1 956 . 1 1 74 74 VAL CG1 C 13 21.067 0.300 . 2 . . . . 74 VAL CG1 . 10138 1 957 . 1 1 74 74 VAL CG2 C 13 22.101 0.300 . 2 . . . . 74 VAL CG2 . 10138 1 958 . 1 1 74 74 VAL N N 15 119.889 0.300 . 1 . . . . 74 VAL N . 10138 1 959 . 1 1 75 75 TYR H H 1 9.605 0.030 . 1 . . . . 75 TYR H . 10138 1 960 . 1 1 75 75 TYR HA H 1 5.502 0.030 . 1 . . . . 75 TYR HA . 10138 1 961 . 1 1 75 75 TYR HB2 H 1 2.737 0.030 . 2 . . . . 75 TYR HB2 . 10138 1 962 . 1 1 75 75 TYR HB3 H 1 2.862 0.030 . 2 . . . . 75 TYR HB3 . 10138 1 963 . 1 1 75 75 TYR HD1 H 1 6.902 0.030 . 1 . . . . 75 TYR HD1 . 10138 1 964 . 1 1 75 75 TYR HD2 H 1 6.902 0.030 . 1 . . . . 75 TYR HD2 . 10138 1 965 . 1 1 75 75 TYR HE1 H 1 6.661 0.030 . 1 . . . . 75 TYR HE1 . 10138 1 966 . 1 1 75 75 TYR HE2 H 1 6.661 0.030 . 1 . . . . 75 TYR HE2 . 10138 1 967 . 1 1 75 75 TYR C C 13 174.149 0.300 . 1 . . . . 75 TYR C . 10138 1 968 . 1 1 75 75 TYR CA C 13 55.890 0.300 . 1 . . . . 75 TYR CA . 10138 1 969 . 1 1 75 75 TYR CB C 13 42.704 0.300 . 1 . . . . 75 TYR CB . 10138 1 970 . 1 1 75 75 TYR CD1 C 13 133.189 0.300 . 1 . . . . 75 TYR CD1 . 10138 1 971 . 1 1 75 75 TYR CD2 C 13 133.189 0.300 . 1 . . . . 75 TYR CD2 . 10138 1 972 . 1 1 75 75 TYR CE1 C 13 117.865 0.300 . 1 . . . . 75 TYR CE1 . 10138 1 973 . 1 1 75 75 TYR CE2 C 13 117.865 0.300 . 1 . . . . 75 TYR CE2 . 10138 1 974 . 1 1 75 75 TYR N N 15 124.558 0.300 . 1 . . . . 75 TYR N . 10138 1 975 . 1 1 76 76 ALA H H 1 9.121 0.030 . 1 . . . . 76 ALA H . 10138 1 976 . 1 1 76 76 ALA HA H 1 5.117 0.030 . 1 . . . . 76 ALA HA . 10138 1 977 . 1 1 76 76 ALA HB1 H 1 1.470 0.030 . 1 . . . . 76 ALA HB . 10138 1 978 . 1 1 76 76 ALA HB2 H 1 1.470 0.030 . 1 . . . . 76 ALA HB . 10138 1 979 . 1 1 76 76 ALA HB3 H 1 1.470 0.030 . 1 . . . . 76 ALA HB . 10138 1 980 . 1 1 76 76 ALA C C 13 176.223 0.300 . 1 . . . . 76 ALA C . 10138 1 981 . 1 1 76 76 ALA CA C 13 49.986 0.300 . 1 . . . . 76 ALA CA . 10138 1 982 . 1 1 76 76 ALA CB C 13 24.141 0.300 . 1 . . . . 76 ALA CB . 10138 1 983 . 1 1 76 76 ALA N N 15 121.140 0.300 . 1 . . . . 76 ALA N . 10138 1 984 . 1 1 77 77 GLU H H 1 8.772 0.030 . 1 . . . . 77 GLU H . 10138 1 985 . 1 1 77 77 GLU HA H 1 4.986 0.030 . 1 . . . . 77 GLU HA . 10138 1 986 . 1 1 77 77 GLU HB2 H 1 2.075 0.030 . 2 . . . . 77 GLU HB2 . 10138 1 987 . 1 1 77 77 GLU HB3 H 1 2.160 0.030 . 2 . . . . 77 GLU HB3 . 10138 1 988 . 1 1 77 77 GLU HG2 H 1 2.379 0.030 . 2 . . . . 77 GLU HG2 . 10138 1 989 . 1 1 77 77 GLU HG3 H 1 2.299 0.030 . 2 . . . . 77 GLU HG3 . 10138 1 990 . 1 1 77 77 GLU CA C 13 55.969 0.300 . 1 . . . . 77 GLU CA . 10138 1 991 . 1 1 77 77 GLU CB C 13 30.777 0.300 . 1 . . . . 77 GLU CB . 10138 1 992 . 1 1 77 77 GLU CG C 13 37.919 0.300 . 1 . . . . 77 GLU CG . 10138 1 993 . 1 1 77 77 GLU N N 15 121.667 0.300 . 1 . . . . 77 GLU N . 10138 1 994 . 1 1 78 78 VAL H H 1 8.684 0.030 . 1 . . . . 78 VAL H . 10138 1 995 . 1 1 78 78 VAL HA H 1 4.048 0.030 . 1 . . . . 78 VAL HA . 10138 1 996 . 1 1 78 78 VAL HB H 1 2.065 0.030 . 1 . . . . 78 VAL HB . 10138 1 997 . 1 1 78 78 VAL HG11 H 1 0.949 0.030 . 1 . . . . 78 VAL HG1 . 10138 1 998 . 1 1 78 78 VAL HG12 H 1 0.949 0.030 . 1 . . . . 78 VAL HG1 . 10138 1 999 . 1 1 78 78 VAL HG13 H 1 0.949 0.030 . 1 . . . . 78 VAL HG1 . 10138 1 1000 . 1 1 78 78 VAL HG21 H 1 0.937 0.030 . 1 . . . . 78 VAL HG2 . 10138 1 1001 . 1 1 78 78 VAL HG22 H 1 0.937 0.030 . 1 . . . . 78 VAL HG2 . 10138 1 1002 . 1 1 78 78 VAL HG23 H 1 0.937 0.030 . 1 . . . . 78 VAL HG2 . 10138 1 1003 . 1 1 78 78 VAL C C 13 176.749 0.300 . 1 . . . . 78 VAL C . 10138 1 1004 . 1 1 78 78 VAL CA C 13 63.503 0.300 . 1 . . . . 78 VAL CA . 10138 1 1005 . 1 1 78 78 VAL CB C 13 33.419 0.300 . 1 . . . . 78 VAL CB . 10138 1 1006 . 1 1 78 78 VAL CG1 C 13 21.396 0.300 . 2 . . . . 78 VAL CG1 . 10138 1 1007 . 1 1 78 78 VAL CG2 C 13 21.564 0.300 . 2 . . . . 78 VAL CG2 . 10138 1 1008 . 1 1 78 78 VAL N N 15 124.537 0.300 . 1 . . . . 78 VAL N . 10138 1 1009 . 1 1 79 79 ALA H H 1 9.009 0.030 . 1 . . . . 79 ALA H . 10138 1 1010 . 1 1 79 79 ALA HA H 1 4.298 0.030 . 1 . . . . 79 ALA HA . 10138 1 1011 . 1 1 79 79 ALA HB1 H 1 1.420 0.030 . 1 . . . . 79 ALA HB . 10138 1 1012 . 1 1 79 79 ALA HB2 H 1 1.420 0.030 . 1 . . . . 79 ALA HB . 10138 1 1013 . 1 1 79 79 ALA HB3 H 1 1.420 0.030 . 1 . . . . 79 ALA HB . 10138 1 1014 . 1 1 79 79 ALA C C 13 177.901 0.300 . 1 . . . . 79 ALA C . 10138 1 1015 . 1 1 79 79 ALA CA C 13 53.316 0.300 . 1 . . . . 79 ALA CA . 10138 1 1016 . 1 1 79 79 ALA CB C 13 18.987 0.300 . 1 . . . . 79 ALA CB . 10138 1 1017 . 1 1 79 79 ALA N N 15 123.570 0.300 . 1 . . . . 79 ALA N . 10138 1 1018 . 1 1 80 80 ASP H H 1 8.182 0.030 . 1 . . . . 80 ASP H . 10138 1 1019 . 1 1 80 80 ASP HA H 1 4.540 0.030 . 1 . . . . 80 ASP HA . 10138 1 1020 . 1 1 80 80 ASP HB2 H 1 2.803 0.030 . 1 . . . . 80 ASP HB2 . 10138 1 1021 . 1 1 80 80 ASP HB3 H 1 2.803 0.030 . 1 . . . . 80 ASP HB3 . 10138 1 1022 . 1 1 80 80 ASP C C 13 176.141 0.300 . 1 . . . . 80 ASP C . 10138 1 1023 . 1 1 80 80 ASP CA C 13 54.583 0.300 . 1 . . . . 80 ASP CA . 10138 1 1024 . 1 1 80 80 ASP CB C 13 41.333 0.300 . 1 . . . . 80 ASP CB . 10138 1 1025 . 1 1 80 80 ASP N N 15 118.103 0.300 . 1 . . . . 80 ASP N . 10138 1 1026 . 1 1 81 81 LEU H H 1 7.711 0.030 . 1 . . . . 81 LEU H . 10138 1 1027 . 1 1 81 81 LEU HA H 1 4.473 0.030 . 1 . . . . 81 LEU HA . 10138 1 1028 . 1 1 81 81 LEU HB2 H 1 1.524 0.030 . 2 . . . . 81 LEU HB2 . 10138 1 1029 . 1 1 81 81 LEU HB3 H 1 1.694 0.030 . 2 . . . . 81 LEU HB3 . 10138 1 1030 . 1 1 81 81 LEU HG H 1 1.772 0.030 . 1 . . . . 81 LEU HG . 10138 1 1031 . 1 1 81 81 LEU HD11 H 1 0.921 0.030 . 1 . . . . 81 LEU HD1 . 10138 1 1032 . 1 1 81 81 LEU HD12 H 1 0.921 0.030 . 1 . . . . 81 LEU HD1 . 10138 1 1033 . 1 1 81 81 LEU HD13 H 1 0.921 0.030 . 1 . . . . 81 LEU HD1 . 10138 1 1034 . 1 1 81 81 LEU HD21 H 1 0.865 0.030 . 1 . . . . 81 LEU HD2 . 10138 1 1035 . 1 1 81 81 LEU HD22 H 1 0.865 0.030 . 1 . . . . 81 LEU HD2 . 10138 1 1036 . 1 1 81 81 LEU HD23 H 1 0.865 0.030 . 1 . . . . 81 LEU HD2 . 10138 1 1037 . 1 1 81 81 LEU CA C 13 53.128 0.300 . 1 . . . . 81 LEU CA . 10138 1 1038 . 1 1 81 81 LEU CB C 13 41.277 0.300 . 1 . . . . 81 LEU CB . 10138 1 1039 . 1 1 81 81 LEU CG C 13 26.737 0.300 . 1 . . . . 81 LEU CG . 10138 1 1040 . 1 1 81 81 LEU CD1 C 13 25.606 0.300 . 2 . . . . 81 LEU CD1 . 10138 1 1041 . 1 1 81 81 LEU CD2 C 13 23.351 0.300 . 2 . . . . 81 LEU CD2 . 10138 1 1042 . 1 1 81 81 LEU N N 15 121.394 0.300 . 1 . . . . 81 LEU N . 10138 1 1043 . 1 1 82 82 PRO HA H 1 4.673 0.030 . 1 . . . . 82 PRO HA . 10138 1 1044 . 1 1 82 82 PRO HB2 H 1 2.273 0.030 . 2 . . . . 82 PRO HB2 . 10138 1 1045 . 1 1 82 82 PRO HB3 H 1 1.840 0.030 . 2 . . . . 82 PRO HB3 . 10138 1 1046 . 1 1 82 82 PRO HG2 H 1 1.933 0.030 . 2 . . . . 82 PRO HG2 . 10138 1 1047 . 1 1 82 82 PRO HG3 H 1 2.011 0.030 . 2 . . . . 82 PRO HG3 . 10138 1 1048 . 1 1 82 82 PRO HD2 H 1 3.761 0.030 . 2 . . . . 82 PRO HD2 . 10138 1 1049 . 1 1 82 82 PRO HD3 H 1 3.579 0.030 . 2 . . . . 82 PRO HD3 . 10138 1 1050 . 1 1 82 82 PRO CA C 13 61.407 0.300 . 1 . . . . 82 PRO CA . 10138 1 1051 . 1 1 82 82 PRO CB C 13 30.669 0.300 . 1 . . . . 82 PRO CB . 10138 1 1052 . 1 1 82 82 PRO CG C 13 27.305 0.300 . 1 . . . . 82 PRO CG . 10138 1 1053 . 1 1 82 82 PRO CD C 13 50.204 0.300 . 1 . . . . 82 PRO CD . 10138 1 1054 . 1 1 83 83 PRO HA H 1 4.406 0.030 . 1 . . . . 83 PRO HA . 10138 1 1055 . 1 1 83 83 PRO HB2 H 1 2.272 0.030 . 2 . . . . 83 PRO HB2 . 10138 1 1056 . 1 1 83 83 PRO HB3 H 1 1.931 0.030 . 2 . . . . 83 PRO HB3 . 10138 1 1057 . 1 1 83 83 PRO HG2 H 1 2.011 0.030 . 1 . . . . 83 PRO HG2 . 10138 1 1058 . 1 1 83 83 PRO HG3 H 1 2.011 0.030 . 1 . . . . 83 PRO HG3 . 10138 1 1059 . 1 1 83 83 PRO HD2 H 1 3.768 0.030 . 2 . . . . 83 PRO HD2 . 10138 1 1060 . 1 1 83 83 PRO HD3 H 1 3.599 0.030 . 2 . . . . 83 PRO HD3 . 10138 1 1061 . 1 1 83 83 PRO C C 13 176.799 0.300 . 1 . . . . 83 PRO C . 10138 1 1062 . 1 1 83 83 PRO CA C 13 62.793 0.300 . 1 . . . . 83 PRO CA . 10138 1 1063 . 1 1 83 83 PRO CB C 13 32.046 0.300 . 1 . . . . 83 PRO CB . 10138 1 1064 . 1 1 83 83 PRO CG C 13 27.389 0.300 . 1 . . . . 83 PRO CG . 10138 1 1065 . 1 1 83 83 PRO CD C 13 50.350 0.300 . 1 . . . . 83 PRO CD . 10138 1 1066 . 1 1 84 84 LEU H H 1 8.344 0.030 . 1 . . . . 84 LEU H . 10138 1 1067 . 1 1 84 84 LEU HA H 1 4.290 0.030 . 1 . . . . 84 LEU HA . 10138 1 1068 . 1 1 84 84 LEU HB2 H 1 1.605 0.030 . 1 . . . . 84 LEU HB2 . 10138 1 1069 . 1 1 84 84 LEU HB3 H 1 1.605 0.030 . 1 . . . . 84 LEU HB3 . 10138 1 1070 . 1 1 84 84 LEU HG H 1 1.667 0.030 . 1 . . . . 84 LEU HG . 10138 1 1071 . 1 1 84 84 LEU HD11 H 1 0.910 0.030 . 1 . . . . 84 LEU HD1 . 10138 1 1072 . 1 1 84 84 LEU HD12 H 1 0.910 0.030 . 1 . . . . 84 LEU HD1 . 10138 1 1073 . 1 1 84 84 LEU HD13 H 1 0.910 0.030 . 1 . . . . 84 LEU HD1 . 10138 1 1074 . 1 1 84 84 LEU HD21 H 1 0.857 0.030 . 1 . . . . 84 LEU HD2 . 10138 1 1075 . 1 1 84 84 LEU HD22 H 1 0.857 0.030 . 1 . . . . 84 LEU HD2 . 10138 1 1076 . 1 1 84 84 LEU HD23 H 1 0.857 0.030 . 1 . . . . 84 LEU HD2 . 10138 1 1077 . 1 1 84 84 LEU C C 13 176.503 0.300 . 1 . . . . 84 LEU C . 10138 1 1078 . 1 1 84 84 LEU CA C 13 55.316 0.300 . 1 . . . . 84 LEU CA . 10138 1 1079 . 1 1 84 84 LEU CB C 13 42.481 0.300 . 1 . . . . 84 LEU CB . 10138 1 1080 . 1 1 84 84 LEU CG C 13 26.964 0.300 . 1 . . . . 84 LEU CG . 10138 1 1081 . 1 1 84 84 LEU CD1 C 13 25.038 0.300 . 2 . . . . 84 LEU CD1 . 10138 1 1082 . 1 1 84 84 LEU CD2 C 13 23.589 0.300 . 2 . . . . 84 LEU CD2 . 10138 1 1083 . 1 1 84 84 LEU N N 15 123.061 0.300 . 1 . . . . 84 LEU N . 10138 1 1084 . 1 1 85 85 GLU H H 1 7.825 0.030 . 1 . . . . 85 GLU H . 10138 1 1085 . 1 1 85 85 GLU HA H 1 4.117 0.030 . 1 . . . . 85 GLU HA . 10138 1 1086 . 1 1 85 85 GLU HB2 H 1 1.860 0.030 . 2 . . . . 85 GLU HB2 . 10138 1 1087 . 1 1 85 85 GLU HB3 H 1 2.018 0.030 . 2 . . . . 85 GLU HB3 . 10138 1 1088 . 1 1 85 85 GLU HG2 H 1 2.146 0.030 . 1 . . . . 85 GLU HG2 . 10138 1 1089 . 1 1 85 85 GLU HG3 H 1 2.146 0.030 . 1 . . . . 85 GLU HG3 . 10138 1 1090 . 1 1 85 85 GLU CA C 13 57.791 0.300 . 1 . . . . 85 GLU CA . 10138 1 1091 . 1 1 85 85 GLU CB C 13 31.442 0.300 . 1 . . . . 85 GLU CB . 10138 1 1092 . 1 1 85 85 GLU CG C 13 36.527 0.300 . 1 . . . . 85 GLU CG . 10138 1 1093 . 1 1 85 85 GLU N N 15 126.014 0.300 . 1 . . . . 85 GLU N . 10138 1 stop_ save_