data_10298 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10298 _Entry.Title ; structure of the third Homeodomain from the human homeobox and leucine zipper protein, Homez ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-17 _Entry.Accession_date 2008-12-18 _Entry.Last_release_date 2009-12-17 _Entry.Original_release_date 2009-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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. Ohnishi . . . 10298 2 T. Tomizawa . . . 10298 3 S. Koshiba . . . 10298 4 T. Harada . . . 10298 5 S. Watanabe . . . 10298 6 T. Kigawa . . . 10298 7 S. Yokoyama . . . 10298 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10298 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10298 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 10298 '15N chemical shifts' 62 10298 '1H chemical shifts' 417 10298 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 . . 2009-12-17 2008-12-17 original author . 10298 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YS9 'BMRB Entry Tracking System' 10298 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10298 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; structure of the third Homeodomain from the human homeobox and leucine zipper protein, Homez ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Ohnishi . . . 10298 1 2 T. Tomizawa . . . 10298 1 3 S. Koshiba . . . 10298 1 4 T. Harada . . . 10298 1 5 S. Watanabe . . . 10298 1 6 T. Kigawa . . . 10298 1 7 S. Yokoyama . . . 10298 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10298 _Assembly.ID 1 _Assembly.Name 'Homeobox and leucine zipper protein Homez' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 homeodomain 1 $entity_1 . . yes native no no . . . 10298 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 2YS9 . . . . . . 10298 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10298 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name homeodomain _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 ; GSSGSSGPLPIPPPPPDIQP LERYWAAHQQLRETDIPQLS QASRLSTQQVLDWFDSRLPQ PAEVSGPSSG ; _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 70 _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 PDB 2YS9 . "Structure Of The Third Homeodomain From The Human Homeobox And Leucine Zipper Protein, Homez" . . . . . 100.00 70 100.00 100.00 4.02e-39 . . . . 10298 1 2 no DBJ BAA92681 . "KIAA1443 protein [Homo sapiens]" . . . . . 81.43 549 100.00 100.00 2.82e-28 . . . . 10298 1 3 no DBJ BAG10069 . "homeobox and leucine zipper protein Homez [synthetic construct]" . . . . . 81.43 549 100.00 100.00 2.82e-28 . . . . 10298 1 4 no DBJ BAG59479 . "unnamed protein product [Homo sapiens]" . . . . . 81.43 548 100.00 100.00 2.65e-28 . . . . 10298 1 5 no DBJ BAG63292 . "unnamed protein product [Homo sapiens]" . . . . . 81.43 545 100.00 100.00 2.26e-28 . . . . 10298 1 6 no DBJ BAG63992 . "unnamed protein product [Homo sapiens]" . . . . . 81.43 551 100.00 100.00 1.89e-28 . . . . 10298 1 7 no GB AAI30393 . "Homeobox and leucine zipper encoding [Homo sapiens]" . . . . . 81.43 525 100.00 100.00 1.89e-28 . . . . 10298 1 8 no GB AAN76991 . "homeodomain leucine zipper protein [Homo sapiens]" . . . . . 81.43 525 100.00 100.00 1.99e-28 . . . . 10298 1 9 no GB AIC60498 . "hypothetical protein, partial [synthetic construct]" . . . . . 81.43 526 100.00 100.00 2.07e-28 . . . . 10298 1 10 no GB EAW66175 . "KIAA1443, isoform CRA_a [Homo sapiens]" . . . . . 81.43 545 100.00 100.00 2.10e-28 . . . . 10298 1 11 no GB EAW66176 . "KIAA1443, isoform CRA_b [Homo sapiens]" . . . . . 81.43 550 100.00 100.00 2.63e-28 . . . . 10298 1 12 no REF NP_065885 . "homeobox and leucine zipper protein Homez [Homo sapiens]" . . . . . 81.43 550 100.00 100.00 2.63e-28 . . . . 10298 1 13 no REF XP_001150591 . "PREDICTED: homeobox and leucine zipper protein Homez isoform X2 [Pan troglodytes]" . . . . . 81.43 548 100.00 100.00 2.57e-28 . . . . 10298 1 14 no REF XP_002824626 . "PREDICTED: homeobox and leucine zipper protein Homez [Pongo abelii]" . . . . . 81.43 549 100.00 100.00 2.40e-28 . . . . 10298 1 15 no REF XP_003808144 . "PREDICTED: homeobox and leucine zipper protein Homez isoform X2 [Pan paniscus]" . . . . . 81.43 548 100.00 100.00 2.35e-28 . . . . 10298 1 16 no REF XP_003924361 . "PREDICTED: homeobox and leucine zipper protein Homez [Saimiri boliviensis boliviensis]" . . . . . 81.43 550 98.25 100.00 7.93e-28 . . . . 10298 1 17 no SP Q8IX15 . "RecName: Full=Homeobox and leucine zipper protein Homez; AltName: Full=Homeodomain leucine zipper-containing factor" . . . . . 81.43 550 100.00 100.00 2.63e-28 . . . . 10298 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID homeodomain . 10298 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10298 1 2 . SER . 10298 1 3 . SER . 10298 1 4 . GLY . 10298 1 5 . SER . 10298 1 6 . SER . 10298 1 7 . GLY . 10298 1 8 . PRO . 10298 1 9 . LEU . 10298 1 10 . PRO . 10298 1 11 . ILE . 10298 1 12 . PRO . 10298 1 13 . PRO . 10298 1 14 . PRO . 10298 1 15 . PRO . 10298 1 16 . PRO . 10298 1 17 . ASP . 10298 1 18 . ILE . 10298 1 19 . GLN . 10298 1 20 . PRO . 10298 1 21 . LEU . 10298 1 22 . GLU . 10298 1 23 . ARG . 10298 1 24 . TYR . 10298 1 25 . TRP . 10298 1 26 . ALA . 10298 1 27 . ALA . 10298 1 28 . HIS . 10298 1 29 . GLN . 10298 1 30 . GLN . 10298 1 31 . LEU . 10298 1 32 . ARG . 10298 1 33 . GLU . 10298 1 34 . THR . 10298 1 35 . ASP . 10298 1 36 . ILE . 10298 1 37 . PRO . 10298 1 38 . GLN . 10298 1 39 . LEU . 10298 1 40 . SER . 10298 1 41 . GLN . 10298 1 42 . ALA . 10298 1 43 . SER . 10298 1 44 . ARG . 10298 1 45 . LEU . 10298 1 46 . SER . 10298 1 47 . THR . 10298 1 48 . GLN . 10298 1 49 . GLN . 10298 1 50 . VAL . 10298 1 51 . LEU . 10298 1 52 . ASP . 10298 1 53 . TRP . 10298 1 54 . PHE . 10298 1 55 . ASP . 10298 1 56 . SER . 10298 1 57 . ARG . 10298 1 58 . LEU . 10298 1 59 . PRO . 10298 1 60 . GLN . 10298 1 61 . PRO . 10298 1 62 . ALA . 10298 1 63 . GLU . 10298 1 64 . VAL . 10298 1 65 . SER . 10298 1 66 . GLY . 10298 1 67 . PRO . 10298 1 68 . SER . 10298 1 69 . SER . 10298 1 70 . GLY . 10298 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10298 1 . SER 2 2 10298 1 . SER 3 3 10298 1 . GLY 4 4 10298 1 . SER 5 5 10298 1 . SER 6 6 10298 1 . GLY 7 7 10298 1 . PRO 8 8 10298 1 . LEU 9 9 10298 1 . PRO 10 10 10298 1 . ILE 11 11 10298 1 . PRO 12 12 10298 1 . PRO 13 13 10298 1 . PRO 14 14 10298 1 . PRO 15 15 10298 1 . PRO 16 16 10298 1 . ASP 17 17 10298 1 . ILE 18 18 10298 1 . GLN 19 19 10298 1 . PRO 20 20 10298 1 . LEU 21 21 10298 1 . GLU 22 22 10298 1 . ARG 23 23 10298 1 . TYR 24 24 10298 1 . TRP 25 25 10298 1 . ALA 26 26 10298 1 . ALA 27 27 10298 1 . HIS 28 28 10298 1 . GLN 29 29 10298 1 . GLN 30 30 10298 1 . LEU 31 31 10298 1 . ARG 32 32 10298 1 . GLU 33 33 10298 1 . THR 34 34 10298 1 . ASP 35 35 10298 1 . ILE 36 36 10298 1 . PRO 37 37 10298 1 . GLN 38 38 10298 1 . LEU 39 39 10298 1 . SER 40 40 10298 1 . GLN 41 41 10298 1 . ALA 42 42 10298 1 . SER 43 43 10298 1 . ARG 44 44 10298 1 . LEU 45 45 10298 1 . SER 46 46 10298 1 . THR 47 47 10298 1 . GLN 48 48 10298 1 . GLN 49 49 10298 1 . VAL 50 50 10298 1 . LEU 51 51 10298 1 . ASP 52 52 10298 1 . TRP 53 53 10298 1 . PHE 54 54 10298 1 . ASP 55 55 10298 1 . SER 56 56 10298 1 . ARG 57 57 10298 1 . LEU 58 58 10298 1 . PRO 59 59 10298 1 . GLN 60 60 10298 1 . PRO 61 61 10298 1 . ALA 62 62 10298 1 . GLU 63 63 10298 1 . VAL 64 64 10298 1 . SER 65 65 10298 1 . GLY 66 66 10298 1 . PRO 67 67 10298 1 . SER 68 68 10298 1 . SER 69 69 10298 1 . GLY 70 70 10298 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 10298 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10298 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 10298 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P051011-14 . . . . . . 10298 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10298 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 homeodomain '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.0 . . mM . . . . 10298 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10298 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10298 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10298 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10298 1 6 H2O . . . . . . solvent 90 . . % . . . . 10298 1 7 D2O . . . . . . solvent 10 . . % . . . . 10298 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 10298 _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 10298 1 pH 7.0 0.05 pH 10298 1 pressure 1 0.001 atm 10298 1 temperature 296 0.1 K 10298 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10298 _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 . . 10298 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10298 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10298 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10298 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10298 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10298 _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.' . . 10298 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10298 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10298 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10298 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10298 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10298 _Software.ID 5 _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.' . . 10298 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10298 5 'structure solution' 10298 5 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 10298 _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_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10298 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10298 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10298 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10298 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10298 1 stop_ 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 10298 _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 . . . . . . . . . 10298 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10298 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10298 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 10298 _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 13C-separated NOESY' 1 $sample_1 isotropic 10298 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10298 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.533 0.030 . 1 . . . . 6 SER HA . 10298 1 2 . 1 1 6 6 SER HB2 H 1 3.893 0.030 . 1 . . . . 6 SER HB2 . 10298 1 3 . 1 1 6 6 SER HB3 H 1 3.893 0.030 . 1 . . . . 6 SER HB3 . 10298 1 4 . 1 1 6 6 SER C C 13 174.513 0.300 . 1 . . . . 6 SER C . 10298 1 5 . 1 1 6 6 SER CA C 13 58.407 0.300 . 1 . . . . 6 SER CA . 10298 1 6 . 1 1 6 6 SER CB C 13 63.873 0.300 . 1 . . . . 6 SER CB . 10298 1 7 . 1 1 7 7 GLY H H 1 8.204 0.030 . 1 . . . . 7 GLY H . 10298 1 8 . 1 1 7 7 GLY HA2 H 1 4.085 0.030 . 2 . . . . 7 GLY HA2 . 10298 1 9 . 1 1 7 7 GLY C C 13 171.507 0.300 . 1 . . . . 7 GLY C . 10298 1 10 . 1 1 7 7 GLY CA C 13 44.598 0.300 . 1 . . . . 7 GLY CA . 10298 1 11 . 1 1 7 7 GLY N N 15 110.772 0.300 . 1 . . . . 7 GLY N . 10298 1 12 . 1 1 8 8 PRO HA H 1 4.421 0.030 . 1 . . . . 8 PRO HA . 10298 1 13 . 1 1 8 8 PRO HB2 H 1 1.901 0.030 . 2 . . . . 8 PRO HB2 . 10298 1 14 . 1 1 8 8 PRO HB3 H 1 2.244 0.030 . 2 . . . . 8 PRO HB3 . 10298 1 15 . 1 1 8 8 PRO HD2 H 1 3.606 0.030 . 2 . . . . 8 PRO HD2 . 10298 1 16 . 1 1 8 8 PRO HG2 H 1 1.997 0.030 . 2 . . . . 8 PRO HG2 . 10298 1 17 . 1 1 8 8 PRO C C 13 176.943 0.300 . 1 . . . . 8 PRO C . 10298 1 18 . 1 1 8 8 PRO CA C 13 62.917 0.300 . 1 . . . . 8 PRO CA . 10298 1 19 . 1 1 8 8 PRO CB C 13 32.101 0.300 . 1 . . . . 8 PRO CB . 10298 1 20 . 1 1 8 8 PRO CD C 13 49.733 0.300 . 1 . . . . 8 PRO CD . 10298 1 21 . 1 1 8 8 PRO CG C 13 27.063 0.300 . 1 . . . . 8 PRO CG . 10298 1 22 . 1 1 9 9 LEU H H 1 8.334 0.030 . 1 . . . . 9 LEU H . 10298 1 23 . 1 1 9 9 LEU HA H 1 4.584 0.030 . 1 . . . . 9 LEU HA . 10298 1 24 . 1 1 9 9 LEU HB2 H 1 1.545 0.030 . 2 . . . . 9 LEU HB2 . 10298 1 25 . 1 1 9 9 LEU HB3 H 1 1.603 0.030 . 2 . . . . 9 LEU HB3 . 10298 1 26 . 1 1 9 9 LEU HD11 H 1 0.956 0.030 . 1 . . . . 9 LEU HD1 . 10298 1 27 . 1 1 9 9 LEU HD12 H 1 0.956 0.030 . 1 . . . . 9 LEU HD1 . 10298 1 28 . 1 1 9 9 LEU HD13 H 1 0.956 0.030 . 1 . . . . 9 LEU HD1 . 10298 1 29 . 1 1 9 9 LEU HD21 H 1 0.927 0.030 . 1 . . . . 9 LEU HD2 . 10298 1 30 . 1 1 9 9 LEU HD22 H 1 0.927 0.030 . 1 . . . . 9 LEU HD2 . 10298 1 31 . 1 1 9 9 LEU HD23 H 1 0.927 0.030 . 1 . . . . 9 LEU HD2 . 10298 1 32 . 1 1 9 9 LEU HG H 1 1.720 0.030 . 1 . . . . 9 LEU HG . 10298 1 33 . 1 1 9 9 LEU C C 13 175.412 0.300 . 1 . . . . 9 LEU C . 10298 1 34 . 1 1 9 9 LEU CA C 13 53.030 0.300 . 1 . . . . 9 LEU CA . 10298 1 35 . 1 1 9 9 LEU CB C 13 41.804 0.300 . 1 . . . . 9 LEU CB . 10298 1 36 . 1 1 9 9 LEU CD1 C 13 25.216 0.300 . 2 . . . . 9 LEU CD1 . 10298 1 37 . 1 1 9 9 LEU CD2 C 13 23.378 0.300 . 2 . . . . 9 LEU CD2 . 10298 1 38 . 1 1 9 9 LEU CG C 13 27.152 0.300 . 1 . . . . 9 LEU CG . 10298 1 39 . 1 1 9 9 LEU N N 15 123.997 0.300 . 1 . . . . 9 LEU N . 10298 1 40 . 1 1 10 10 PRO HA H 1 4.425 0.030 . 1 . . . . 10 PRO HA . 10298 1 41 . 1 1 10 10 PRO HB2 H 1 1.844 0.030 . 2 . . . . 10 PRO HB2 . 10298 1 42 . 1 1 10 10 PRO HB3 H 1 2.249 0.030 . 2 . . . . 10 PRO HB3 . 10298 1 43 . 1 1 10 10 PRO HD2 H 1 3.841 0.030 . 2 . . . . 10 PRO HD2 . 10298 1 44 . 1 1 10 10 PRO HD3 H 1 3.624 0.030 . 2 . . . . 10 PRO HD3 . 10298 1 45 . 1 1 10 10 PRO HG2 H 1 1.984 0.030 . 2 . . . . 10 PRO HG2 . 10298 1 46 . 1 1 10 10 PRO C C 13 176.530 0.300 . 1 . . . . 10 PRO C . 10298 1 47 . 1 1 10 10 PRO CA C 13 62.801 0.300 . 1 . . . . 10 PRO CA . 10298 1 48 . 1 1 10 10 PRO CB C 13 31.871 0.300 . 1 . . . . 10 PRO CB . 10298 1 49 . 1 1 10 10 PRO CD C 13 50.573 0.300 . 1 . . . . 10 PRO CD . 10298 1 50 . 1 1 10 10 PRO CG C 13 27.388 0.300 . 1 . . . . 10 PRO CG . 10298 1 51 . 1 1 11 11 ILE H H 1 8.216 0.030 . 1 . . . . 11 ILE H . 10298 1 52 . 1 1 11 11 ILE HA H 1 4.429 0.030 . 1 . . . . 11 ILE HA . 10298 1 53 . 1 1 11 11 ILE HB H 1 1.830 0.030 . 1 . . . . 11 ILE HB . 10298 1 54 . 1 1 11 11 ILE HD11 H 1 0.872 0.030 . 1 . . . . 11 ILE HD1 . 10298 1 55 . 1 1 11 11 ILE HD12 H 1 0.872 0.030 . 1 . . . . 11 ILE HD1 . 10298 1 56 . 1 1 11 11 ILE HD13 H 1 0.872 0.030 . 1 . . . . 11 ILE HD1 . 10298 1 57 . 1 1 11 11 ILE HG12 H 1 1.538 0.030 . 2 . . . . 11 ILE HG12 . 10298 1 58 . 1 1 11 11 ILE HG13 H 1 1.185 0.030 . 2 . . . . 11 ILE HG13 . 10298 1 59 . 1 1 11 11 ILE HG21 H 1 0.953 0.030 . 1 . . . . 11 ILE HG2 . 10298 1 60 . 1 1 11 11 ILE HG22 H 1 0.953 0.030 . 1 . . . . 11 ILE HG2 . 10298 1 61 . 1 1 11 11 ILE HG23 H 1 0.953 0.030 . 1 . . . . 11 ILE HG2 . 10298 1 62 . 1 1 11 11 ILE C C 13 174.437 0.300 . 1 . . . . 11 ILE C . 10298 1 63 . 1 1 11 11 ILE CA C 13 58.548 0.300 . 1 . . . . 11 ILE CA . 10298 1 64 . 1 1 11 11 ILE CB C 13 38.746 0.300 . 1 . . . . 11 ILE CB . 10298 1 65 . 1 1 11 11 ILE CD1 C 13 12.740 0.300 . 1 . . . . 11 ILE CD1 . 10298 1 66 . 1 1 11 11 ILE CG1 C 13 27.018 0.300 . 1 . . . . 11 ILE CG1 . 10298 1 67 . 1 1 11 11 ILE CG2 C 13 17.086 0.300 . 1 . . . . 11 ILE CG2 . 10298 1 68 . 1 1 11 11 ILE N N 15 123.082 0.300 . 1 . . . . 11 ILE N . 10298 1 69 . 1 1 12 12 PRO HD2 H 1 3.896 0.030 . 2 . . . . 12 PRO HD2 . 10298 1 70 . 1 1 12 12 PRO HD3 H 1 3.672 0.030 . 2 . . . . 12 PRO HD3 . 10298 1 71 . 1 1 12 12 PRO CD C 13 51.021 0.300 . 1 . . . . 12 PRO CD . 10298 1 72 . 1 1 16 16 PRO HA H 1 4.575 0.030 . 1 . . . . 16 PRO HA . 10298 1 73 . 1 1 16 16 PRO HB2 H 1 2.200 0.030 . 2 . . . . 16 PRO HB2 . 10298 1 74 . 1 1 16 16 PRO HB3 H 1 1.679 0.030 . 2 . . . . 16 PRO HB3 . 10298 1 75 . 1 1 16 16 PRO HD2 H 1 3.613 0.030 . 2 . . . . 16 PRO HD2 . 10298 1 76 . 1 1 16 16 PRO HD3 H 1 3.844 0.030 . 2 . . . . 16 PRO HD3 . 10298 1 77 . 1 1 16 16 PRO HG2 H 1 1.988 0.030 . 2 . . . . 16 PRO HG2 . 10298 1 78 . 1 1 16 16 PRO C C 13 175.885 0.300 . 1 . . . . 16 PRO C . 10298 1 79 . 1 1 16 16 PRO CA C 13 63.146 0.300 . 1 . . . . 16 PRO CA . 10298 1 80 . 1 1 16 16 PRO CB C 13 32.894 0.300 . 1 . . . . 16 PRO CB . 10298 1 81 . 1 1 16 16 PRO CD C 13 50.492 0.300 . 1 . . . . 16 PRO CD . 10298 1 82 . 1 1 16 16 PRO CG C 13 27.388 0.300 . 1 . . . . 16 PRO CG . 10298 1 83 . 1 1 17 17 ASP H H 1 8.822 0.030 . 1 . . . . 17 ASP H . 10298 1 84 . 1 1 17 17 ASP HA H 1 4.832 0.030 . 1 . . . . 17 ASP HA . 10298 1 85 . 1 1 17 17 ASP HB2 H 1 2.506 0.030 . 2 . . . . 17 ASP HB2 . 10298 1 86 . 1 1 17 17 ASP HB3 H 1 2.818 0.030 . 2 . . . . 17 ASP HB3 . 10298 1 87 . 1 1 17 17 ASP C C 13 174.878 0.300 . 1 . . . . 17 ASP C . 10298 1 88 . 1 1 17 17 ASP CA C 13 52.473 0.300 . 1 . . . . 17 ASP CA . 10298 1 89 . 1 1 17 17 ASP CB C 13 42.755 0.300 . 1 . . . . 17 ASP CB . 10298 1 90 . 1 1 17 17 ASP N N 15 121.885 0.300 . 1 . . . . 17 ASP N . 10298 1 91 . 1 1 18 18 ILE H H 1 8.259 0.030 . 1 . . . . 18 ILE H . 10298 1 92 . 1 1 18 18 ILE HA H 1 3.889 0.030 . 1 . . . . 18 ILE HA . 10298 1 93 . 1 1 18 18 ILE HB H 1 1.848 0.030 . 1 . . . . 18 ILE HB . 10298 1 94 . 1 1 18 18 ILE HD11 H 1 0.704 0.030 . 1 . . . . 18 ILE HD1 . 10298 1 95 . 1 1 18 18 ILE HD12 H 1 0.704 0.030 . 1 . . . . 18 ILE HD1 . 10298 1 96 . 1 1 18 18 ILE HD13 H 1 0.704 0.030 . 1 . . . . 18 ILE HD1 . 10298 1 97 . 1 1 18 18 ILE HG12 H 1 1.297 0.030 . 2 . . . . 18 ILE HG12 . 10298 1 98 . 1 1 18 18 ILE HG13 H 1 1.386 0.030 . 2 . . . . 18 ILE HG13 . 10298 1 99 . 1 1 18 18 ILE HG21 H 1 0.856 0.030 . 1 . . . . 18 ILE HG2 . 10298 1 100 . 1 1 18 18 ILE HG22 H 1 0.856 0.030 . 1 . . . . 18 ILE HG2 . 10298 1 101 . 1 1 18 18 ILE HG23 H 1 0.856 0.030 . 1 . . . . 18 ILE HG2 . 10298 1 102 . 1 1 18 18 ILE C C 13 178.346 0.300 . 1 . . . . 18 ILE C . 10298 1 103 . 1 1 18 18 ILE CA C 13 59.806 0.300 . 1 . . . . 18 ILE CA . 10298 1 104 . 1 1 18 18 ILE CB C 13 38.247 0.300 . 1 . . . . 18 ILE CB . 10298 1 105 . 1 1 18 18 ILE CD1 C 13 12.891 0.300 . 1 . . . . 18 ILE CD1 . 10298 1 106 . 1 1 18 18 ILE CG1 C 13 27.958 0.300 . 1 . . . . 18 ILE CG1 . 10298 1 107 . 1 1 18 18 ILE CG2 C 13 19.157 0.300 . 1 . . . . 18 ILE CG2 . 10298 1 108 . 1 1 18 18 ILE N N 15 118.184 0.300 . 1 . . . . 18 ILE N . 10298 1 109 . 1 1 19 19 GLN H H 1 8.404 0.030 . 1 . . . . 19 GLN H . 10298 1 110 . 1 1 19 19 GLN HA H 1 4.199 0.030 . 1 . . . . 19 GLN HA . 10298 1 111 . 1 1 19 19 GLN HB2 H 1 2.145 0.030 . 2 . . . . 19 GLN HB2 . 10298 1 112 . 1 1 19 19 GLN HB3 H 1 2.291 0.030 . 2 . . . . 19 GLN HB3 . 10298 1 113 . 1 1 19 19 GLN HE21 H 1 7.827 0.030 . 2 . . . . 19 GLN HE21 . 10298 1 114 . 1 1 19 19 GLN HE22 H 1 6.899 0.030 . 2 . . . . 19 GLN HE22 . 10298 1 115 . 1 1 19 19 GLN HG2 H 1 2.350 0.030 . 2 . . . . 19 GLN HG2 . 10298 1 116 . 1 1 19 19 GLN HG3 H 1 2.580 0.030 . 2 . . . . 19 GLN HG3 . 10298 1 117 . 1 1 19 19 GLN C C 13 175.287 0.300 . 1 . . . . 19 GLN C . 10298 1 118 . 1 1 19 19 GLN CA C 13 60.889 0.300 . 1 . . . . 19 GLN CA . 10298 1 119 . 1 1 19 19 GLN CB C 13 26.552 0.300 . 1 . . . . 19 GLN CB . 10298 1 120 . 1 1 19 19 GLN CG C 13 34.818 0.300 . 1 . . . . 19 GLN CG . 10298 1 121 . 1 1 19 19 GLN N N 15 123.230 0.300 . 1 . . . . 19 GLN N . 10298 1 122 . 1 1 19 19 GLN NE2 N 15 112.639 0.300 . 1 . . . . 19 GLN NE2 . 10298 1 123 . 1 1 20 20 PRO HA H 1 4.217 0.030 . 1 . . . . 20 PRO HA . 10298 1 124 . 1 1 20 20 PRO HB2 H 1 2.402 0.030 . 2 . . . . 20 PRO HB2 . 10298 1 125 . 1 1 20 20 PRO HB3 H 1 1.403 0.030 . 2 . . . . 20 PRO HB3 . 10298 1 126 . 1 1 20 20 PRO HD2 H 1 3.371 0.030 . 2 . . . . 20 PRO HD2 . 10298 1 127 . 1 1 20 20 PRO HD3 H 1 3.610 0.030 . 2 . . . . 20 PRO HD3 . 10298 1 128 . 1 1 20 20 PRO HG2 H 1 1.840 0.030 . 2 . . . . 20 PRO HG2 . 10298 1 129 . 1 1 20 20 PRO HG3 H 1 1.648 0.030 . 2 . . . . 20 PRO HG3 . 10298 1 130 . 1 1 20 20 PRO C C 13 179.677 0.300 . 1 . . . . 20 PRO C . 10298 1 131 . 1 1 20 20 PRO CA C 13 65.855 0.300 . 1 . . . . 20 PRO CA . 10298 1 132 . 1 1 20 20 PRO CB C 13 31.439 0.300 . 1 . . . . 20 PRO CB . 10298 1 133 . 1 1 20 20 PRO CD C 13 49.745 0.300 . 1 . . . . 20 PRO CD . 10298 1 134 . 1 1 20 20 PRO CG C 13 28.294 0.300 . 1 . . . . 20 PRO CG . 10298 1 135 . 1 1 21 21 LEU H H 1 7.026 0.030 . 1 . . . . 21 LEU H . 10298 1 136 . 1 1 21 21 LEU HA H 1 3.885 0.030 . 1 . . . . 21 LEU HA . 10298 1 137 . 1 1 21 21 LEU HB2 H 1 0.046 0.030 . 2 . . . . 21 LEU HB2 . 10298 1 138 . 1 1 21 21 LEU HB3 H 1 0.694 0.030 . 2 . . . . 21 LEU HB3 . 10298 1 139 . 1 1 21 21 LEU HD11 H 1 0.287 0.030 . 1 . . . . 21 LEU HD1 . 10298 1 140 . 1 1 21 21 LEU HD12 H 1 0.287 0.030 . 1 . . . . 21 LEU HD1 . 10298 1 141 . 1 1 21 21 LEU HD13 H 1 0.287 0.030 . 1 . . . . 21 LEU HD1 . 10298 1 142 . 1 1 21 21 LEU HD21 H 1 0.563 0.030 . 1 . . . . 21 LEU HD2 . 10298 1 143 . 1 1 21 21 LEU HD22 H 1 0.563 0.030 . 1 . . . . 21 LEU HD2 . 10298 1 144 . 1 1 21 21 LEU HD23 H 1 0.563 0.030 . 1 . . . . 21 LEU HD2 . 10298 1 145 . 1 1 21 21 LEU HG H 1 1.263 0.030 . 1 . . . . 21 LEU HG . 10298 1 146 . 1 1 21 21 LEU C C 13 177.599 0.300 . 1 . . . . 21 LEU C . 10298 1 147 . 1 1 21 21 LEU CA C 13 58.435 0.300 . 1 . . . . 21 LEU CA . 10298 1 148 . 1 1 21 21 LEU CB C 13 37.236 0.300 . 1 . . . . 21 LEU CB . 10298 1 149 . 1 1 21 21 LEU CD1 C 13 25.543 0.300 . 2 . . . . 21 LEU CD1 . 10298 1 150 . 1 1 21 21 LEU CD2 C 13 24.704 0.300 . 2 . . . . 21 LEU CD2 . 10298 1 151 . 1 1 21 21 LEU CG C 13 28.536 0.300 . 1 . . . . 21 LEU CG . 10298 1 152 . 1 1 21 21 LEU N N 15 116.369 0.300 . 1 . . . . 21 LEU N . 10298 1 153 . 1 1 22 22 GLU H H 1 7.611 0.030 . 1 . . . . 22 GLU H . 10298 1 154 . 1 1 22 22 GLU HA H 1 4.309 0.030 . 1 . . . . 22 GLU HA . 10298 1 155 . 1 1 22 22 GLU HB2 H 1 2.264 0.030 . 2 . . . . 22 GLU HB2 . 10298 1 156 . 1 1 22 22 GLU HB3 H 1 2.172 0.030 . 2 . . . . 22 GLU HB3 . 10298 1 157 . 1 1 22 22 GLU HG2 H 1 2.416 0.030 . 2 . . . . 22 GLU HG2 . 10298 1 158 . 1 1 22 22 GLU HG3 H 1 2.381 0.030 . 2 . . . . 22 GLU HG3 . 10298 1 159 . 1 1 22 22 GLU C C 13 180.755 0.300 . 1 . . . . 22 GLU C . 10298 1 160 . 1 1 22 22 GLU CA C 13 59.887 0.300 . 1 . . . . 22 GLU CA . 10298 1 161 . 1 1 22 22 GLU CB C 13 29.715 0.300 . 1 . . . . 22 GLU CB . 10298 1 162 . 1 1 22 22 GLU CG C 13 36.581 0.300 . 1 . . . . 22 GLU CG . 10298 1 163 . 1 1 22 22 GLU N N 15 119.345 0.300 . 1 . . . . 22 GLU N . 10298 1 164 . 1 1 23 23 ARG H H 1 8.662 0.030 . 1 . . . . 23 ARG H . 10298 1 165 . 1 1 23 23 ARG HA H 1 4.143 0.030 . 1 . . . . 23 ARG HA . 10298 1 166 . 1 1 23 23 ARG HB2 H 1 1.869 0.030 . 1 . . . . 23 ARG HB2 . 10298 1 167 . 1 1 23 23 ARG HB3 H 1 1.869 0.030 . 1 . . . . 23 ARG HB3 . 10298 1 168 . 1 1 23 23 ARG HD2 H 1 3.159 0.030 . 2 . . . . 23 ARG HD2 . 10298 1 169 . 1 1 23 23 ARG HD3 H 1 3.262 0.030 . 2 . . . . 23 ARG HD3 . 10298 1 170 . 1 1 23 23 ARG HG2 H 1 1.664 0.030 . 2 . . . . 23 ARG HG2 . 10298 1 171 . 1 1 23 23 ARG HG3 H 1 1.848 0.030 . 2 . . . . 23 ARG HG3 . 10298 1 172 . 1 1 23 23 ARG C C 13 179.115 0.300 . 1 . . . . 23 ARG C . 10298 1 173 . 1 1 23 23 ARG CA C 13 59.453 0.300 . 1 . . . . 23 ARG CA . 10298 1 174 . 1 1 23 23 ARG CB C 13 30.628 0.300 . 1 . . . . 23 ARG CB . 10298 1 175 . 1 1 23 23 ARG CD C 13 43.606 0.300 . 1 . . . . 23 ARG CD . 10298 1 176 . 1 1 23 23 ARG CG C 13 27.916 0.300 . 1 . . . . 23 ARG CG . 10298 1 177 . 1 1 23 23 ARG N N 15 119.060 0.300 . 1 . . . . 23 ARG N . 10298 1 178 . 1 1 24 24 TYR H H 1 7.798 0.030 . 1 . . . . 24 TYR H . 10298 1 179 . 1 1 24 24 TYR HA H 1 4.349 0.030 . 1 . . . . 24 TYR HA . 10298 1 180 . 1 1 24 24 TYR HB2 H 1 3.289 0.030 . 2 . . . . 24 TYR HB2 . 10298 1 181 . 1 1 24 24 TYR HB3 H 1 3.543 0.030 . 2 . . . . 24 TYR HB3 . 10298 1 182 . 1 1 24 24 TYR HD1 H 1 7.281 0.030 . 1 . . . . 24 TYR HD1 . 10298 1 183 . 1 1 24 24 TYR HD2 H 1 7.281 0.030 . 1 . . . . 24 TYR HD2 . 10298 1 184 . 1 1 24 24 TYR HE1 H 1 6.998 0.030 . 1 . . . . 24 TYR HE1 . 10298 1 185 . 1 1 24 24 TYR HE2 H 1 6.998 0.030 . 1 . . . . 24 TYR HE2 . 10298 1 186 . 1 1 24 24 TYR C C 13 178.627 0.300 . 1 . . . . 24 TYR C . 10298 1 187 . 1 1 24 24 TYR CA C 13 61.883 0.300 . 1 . . . . 24 TYR CA . 10298 1 188 . 1 1 24 24 TYR CB C 13 39.326 0.300 . 1 . . . . 24 TYR CB . 10298 1 189 . 1 1 24 24 TYR CD1 C 13 133.716 0.300 . 1 . . . . 24 TYR CD1 . 10298 1 190 . 1 1 24 24 TYR CD2 C 13 133.716 0.300 . 1 . . . . 24 TYR CD2 . 10298 1 191 . 1 1 24 24 TYR CE1 C 13 118.152 0.300 . 1 . . . . 24 TYR CE1 . 10298 1 192 . 1 1 24 24 TYR CE2 C 13 118.152 0.300 . 1 . . . . 24 TYR CE2 . 10298 1 193 . 1 1 24 24 TYR N N 15 122.046 0.300 . 1 . . . . 24 TYR N . 10298 1 194 . 1 1 25 25 TRP H H 1 9.612 0.030 . 1 . . . . 25 TRP H . 10298 1 195 . 1 1 25 25 TRP HA H 1 4.680 0.030 . 1 . . . . 25 TRP HA . 10298 1 196 . 1 1 25 25 TRP HB2 H 1 3.864 0.030 . 2 . . . . 25 TRP HB2 . 10298 1 197 . 1 1 25 25 TRP HB3 H 1 3.759 0.030 . 2 . . . . 25 TRP HB3 . 10298 1 198 . 1 1 25 25 TRP HD1 H 1 7.430 0.030 . 1 . . . . 25 TRP HD1 . 10298 1 199 . 1 1 25 25 TRP HE1 H 1 10.236 0.030 . 1 . . . . 25 TRP HE1 . 10298 1 200 . 1 1 25 25 TRP HE3 H 1 7.819 0.030 . 1 . . . . 25 TRP HE3 . 10298 1 201 . 1 1 25 25 TRP HH2 H 1 7.153 0.030 . 1 . . . . 25 TRP HH2 . 10298 1 202 . 1 1 25 25 TRP HZ2 H 1 7.442 0.030 . 1 . . . . 25 TRP HZ2 . 10298 1 203 . 1 1 25 25 TRP HZ3 H 1 7.087 0.030 . 1 . . . . 25 TRP HZ3 . 10298 1 204 . 1 1 25 25 TRP C C 13 178.218 0.300 . 1 . . . . 25 TRP C . 10298 1 205 . 1 1 25 25 TRP CA C 13 60.775 0.300 . 1 . . . . 25 TRP CA . 10298 1 206 . 1 1 25 25 TRP CB C 13 29.956 0.300 . 1 . . . . 25 TRP CB . 10298 1 207 . 1 1 25 25 TRP CD1 C 13 127.058 0.300 . 1 . . . . 25 TRP CD1 . 10298 1 208 . 1 1 25 25 TRP CE3 C 13 120.014 0.300 . 1 . . . . 25 TRP CE3 . 10298 1 209 . 1 1 25 25 TRP CH2 C 13 124.865 0.300 . 1 . . . . 25 TRP CH2 . 10298 1 210 . 1 1 25 25 TRP CZ2 C 13 114.880 0.300 . 1 . . . . 25 TRP CZ2 . 10298 1 211 . 1 1 25 25 TRP CZ3 C 13 121.809 0.300 . 1 . . . . 25 TRP CZ3 . 10298 1 212 . 1 1 25 25 TRP N N 15 121.351 0.300 . 1 . . . . 25 TRP N . 10298 1 213 . 1 1 25 25 TRP NE1 N 15 129.359 0.300 . 1 . . . . 25 TRP NE1 . 10298 1 214 . 1 1 26 26 ALA H H 1 8.336 0.030 . 1 . . . . 26 ALA H . 10298 1 215 . 1 1 26 26 ALA HA H 1 3.911 0.030 . 1 . . . . 26 ALA HA . 10298 1 216 . 1 1 26 26 ALA HB1 H 1 1.546 0.030 . 1 . . . . 26 ALA HB . 10298 1 217 . 1 1 26 26 ALA HB2 H 1 1.546 0.030 . 1 . . . . 26 ALA HB . 10298 1 218 . 1 1 26 26 ALA HB3 H 1 1.546 0.030 . 1 . . . . 26 ALA HB . 10298 1 219 . 1 1 26 26 ALA C C 13 178.850 0.300 . 1 . . . . 26 ALA C . 10298 1 220 . 1 1 26 26 ALA CA C 13 54.720 0.300 . 1 . . . . 26 ALA CA . 10298 1 221 . 1 1 26 26 ALA CB C 13 18.147 0.300 . 1 . . . . 26 ALA CB . 10298 1 222 . 1 1 26 26 ALA N N 15 118.991 0.300 . 1 . . . . 26 ALA N . 10298 1 223 . 1 1 27 27 ALA H H 1 7.261 0.030 . 1 . . . . 27 ALA H . 10298 1 224 . 1 1 27 27 ALA HA H 1 4.071 0.030 . 1 . . . . 27 ALA HA . 10298 1 225 . 1 1 27 27 ALA HB1 H 1 0.976 0.030 . 1 . . . . 27 ALA HB . 10298 1 226 . 1 1 27 27 ALA HB2 H 1 0.976 0.030 . 1 . . . . 27 ALA HB . 10298 1 227 . 1 1 27 27 ALA HB3 H 1 0.976 0.030 . 1 . . . . 27 ALA HB . 10298 1 228 . 1 1 27 27 ALA C C 13 178.433 0.300 . 1 . . . . 27 ALA C . 10298 1 229 . 1 1 27 27 ALA CA C 13 53.440 0.300 . 1 . . . . 27 ALA CA . 10298 1 230 . 1 1 27 27 ALA CB C 13 18.789 0.300 . 1 . . . . 27 ALA CB . 10298 1 231 . 1 1 27 27 ALA N N 15 116.928 0.300 . 1 . . . . 27 ALA N . 10298 1 232 . 1 1 28 28 HIS H H 1 7.810 0.030 . 1 . . . . 28 HIS H . 10298 1 233 . 1 1 28 28 HIS HA H 1 4.574 0.030 . 1 . . . . 28 HIS HA . 10298 1 234 . 1 1 28 28 HIS HB2 H 1 2.676 0.030 . 2 . . . . 28 HIS HB2 . 10298 1 235 . 1 1 28 28 HIS HB3 H 1 3.034 0.030 . 2 . . . . 28 HIS HB3 . 10298 1 236 . 1 1 28 28 HIS HD2 H 1 5.949 0.030 . 1 . . . . 28 HIS HD2 . 10298 1 237 . 1 1 28 28 HIS HE1 H 1 7.819 0.030 . 1 . . . . 28 HIS HE1 . 10298 1 238 . 1 1 28 28 HIS C C 13 175.351 0.300 . 1 . . . . 28 HIS C . 10298 1 239 . 1 1 28 28 HIS CA C 13 56.709 0.300 . 1 . . . . 28 HIS CA . 10298 1 240 . 1 1 28 28 HIS CB C 13 31.928 0.300 . 1 . . . . 28 HIS CB . 10298 1 241 . 1 1 28 28 HIS CD2 C 13 121.610 0.300 . 1 . . . . 28 HIS CD2 . 10298 1 242 . 1 1 28 28 HIS CE1 C 13 137.106 0.300 . 1 . . . . 28 HIS CE1 . 10298 1 243 . 1 1 28 28 HIS N N 15 113.337 0.300 . 1 . . . . 28 HIS N . 10298 1 244 . 1 1 29 29 GLN H H 1 8.811 0.030 . 1 . . . . 29 GLN H . 10298 1 245 . 1 1 29 29 GLN HA H 1 2.344 0.030 . 1 . . . . 29 GLN HA . 10298 1 246 . 1 1 29 29 GLN HB2 H 1 1.873 0.030 . 2 . . . . 29 GLN HB2 . 10298 1 247 . 1 1 29 29 GLN HE21 H 1 6.951 0.030 . 2 . . . . 29 GLN HE21 . 10298 1 248 . 1 1 29 29 GLN HE22 H 1 6.320 0.030 . 2 . . . . 29 GLN HE22 . 10298 1 249 . 1 1 29 29 GLN HG2 H 1 1.686 0.030 . 2 . . . . 29 GLN HG2 . 10298 1 250 . 1 1 29 29 GLN HG3 H 1 1.855 0.030 . 2 . . . . 29 GLN HG3 . 10298 1 251 . 1 1 29 29 GLN C C 13 173.677 0.300 . 1 . . . . 29 GLN C . 10298 1 252 . 1 1 29 29 GLN CA C 13 57.111 0.300 . 1 . . . . 29 GLN CA . 10298 1 253 . 1 1 29 29 GLN CB C 13 26.795 0.300 . 1 . . . . 29 GLN CB . 10298 1 254 . 1 1 29 29 GLN CG C 13 34.223 0.300 . 1 . . . . 29 GLN CG . 10298 1 255 . 1 1 29 29 GLN N N 15 115.607 0.300 . 1 . . . . 29 GLN N . 10298 1 256 . 1 1 29 29 GLN NE2 N 15 112.424 0.300 . 1 . . . . 29 GLN NE2 . 10298 1 257 . 1 1 30 30 GLN H H 1 7.465 0.030 . 1 . . . . 30 GLN H . 10298 1 258 . 1 1 30 30 GLN HA H 1 4.607 0.030 . 1 . . . . 30 GLN HA . 10298 1 259 . 1 1 30 30 GLN HB2 H 1 2.201 0.030 . 2 . . . . 30 GLN HB2 . 10298 1 260 . 1 1 30 30 GLN HB3 H 1 2.027 0.030 . 2 . . . . 30 GLN HB3 . 10298 1 261 . 1 1 30 30 GLN HE21 H 1 7.538 0.030 . 2 . . . . 30 GLN HE21 . 10298 1 262 . 1 1 30 30 GLN HE22 H 1 6.845 0.030 . 2 . . . . 30 GLN HE22 . 10298 1 263 . 1 1 30 30 GLN HG2 H 1 2.291 0.030 . 2 . . . . 30 GLN HG2 . 10298 1 264 . 1 1 30 30 GLN HG3 H 1 2.007 0.030 . 2 . . . . 30 GLN HG3 . 10298 1 265 . 1 1 30 30 GLN C C 13 173.052 0.300 . 1 . . . . 30 GLN C . 10298 1 266 . 1 1 30 30 GLN CA C 13 54.807 0.300 . 1 . . . . 30 GLN CA . 10298 1 267 . 1 1 30 30 GLN CB C 13 30.766 0.300 . 1 . . . . 30 GLN CB . 10298 1 268 . 1 1 30 30 GLN CG C 13 32.841 0.300 . 1 . . . . 30 GLN CG . 10298 1 269 . 1 1 30 30 GLN N N 15 112.695 0.300 . 1 . . . . 30 GLN N . 10298 1 270 . 1 1 30 30 GLN NE2 N 15 111.651 0.300 . 1 . . . . 30 GLN NE2 . 10298 1 271 . 1 1 31 31 LEU H H 1 8.805 0.030 . 1 . . . . 31 LEU H . 10298 1 272 . 1 1 31 31 LEU HA H 1 4.440 0.030 . 1 . . . . 31 LEU HA . 10298 1 273 . 1 1 31 31 LEU HB2 H 1 0.644 0.030 . 2 . . . . 31 LEU HB2 . 10298 1 274 . 1 1 31 31 LEU HB3 H 1 1.609 0.030 . 2 . . . . 31 LEU HB3 . 10298 1 275 . 1 1 31 31 LEU HD11 H 1 -0.146 0.030 . 1 . . . . 31 LEU HD1 . 10298 1 276 . 1 1 31 31 LEU HD12 H 1 -0.146 0.030 . 1 . . . . 31 LEU HD1 . 10298 1 277 . 1 1 31 31 LEU HD13 H 1 -0.146 0.030 . 1 . . . . 31 LEU HD1 . 10298 1 278 . 1 1 31 31 LEU HD21 H 1 0.517 0.030 . 1 . . . . 31 LEU HD2 . 10298 1 279 . 1 1 31 31 LEU HD22 H 1 0.517 0.030 . 1 . . . . 31 LEU HD2 . 10298 1 280 . 1 1 31 31 LEU HD23 H 1 0.517 0.030 . 1 . . . . 31 LEU HD2 . 10298 1 281 . 1 1 31 31 LEU HG H 1 0.795 0.030 . 1 . . . . 31 LEU HG . 10298 1 282 . 1 1 31 31 LEU C C 13 176.017 0.300 . 1 . . . . 31 LEU C . 10298 1 283 . 1 1 31 31 LEU CA C 13 54.608 0.300 . 1 . . . . 31 LEU CA . 10298 1 284 . 1 1 31 31 LEU CB C 13 42.819 0.300 . 1 . . . . 31 LEU CB . 10298 1 285 . 1 1 31 31 LEU CD1 C 13 21.801 0.300 . 2 . . . . 31 LEU CD1 . 10298 1 286 . 1 1 31 31 LEU CD2 C 13 25.547 0.300 . 2 . . . . 31 LEU CD2 . 10298 1 287 . 1 1 31 31 LEU CG C 13 26.513 0.300 . 1 . . . . 31 LEU CG . 10298 1 288 . 1 1 31 31 LEU N N 15 121.685 0.300 . 1 . . . . 31 LEU N . 10298 1 289 . 1 1 32 32 ARG H H 1 7.422 0.030 . 1 . . . . 32 ARG H . 10298 1 290 . 1 1 32 32 ARG HA H 1 4.574 0.030 . 1 . . . . 32 ARG HA . 10298 1 291 . 1 1 32 32 ARG HB2 H 1 1.801 0.030 . 1 . . . . 32 ARG HB2 . 10298 1 292 . 1 1 32 32 ARG HB3 H 1 1.801 0.030 . 1 . . . . 32 ARG HB3 . 10298 1 293 . 1 1 32 32 ARG HD2 H 1 3.110 0.030 . 1 . . . . 32 ARG HD2 . 10298 1 294 . 1 1 32 32 ARG HD3 H 1 3.110 0.030 . 1 . . . . 32 ARG HD3 . 10298 1 295 . 1 1 32 32 ARG HG2 H 1 1.529 0.030 . 2 . . . . 32 ARG HG2 . 10298 1 296 . 1 1 32 32 ARG HG3 H 1 1.624 0.030 . 2 . . . . 32 ARG HG3 . 10298 1 297 . 1 1 32 32 ARG C C 13 177.277 0.300 . 1 . . . . 32 ARG C . 10298 1 298 . 1 1 32 32 ARG CA C 13 55.071 0.300 . 1 . . . . 32 ARG CA . 10298 1 299 . 1 1 32 32 ARG CB C 13 29.854 0.300 . 1 . . . . 32 ARG CB . 10298 1 300 . 1 1 32 32 ARG CD C 13 43.417 0.300 . 1 . . . . 32 ARG CD . 10298 1 301 . 1 1 32 32 ARG CG C 13 26.979 0.300 . 1 . . . . 32 ARG CG . 10298 1 302 . 1 1 32 32 ARG N N 15 126.338 0.300 . 1 . . . . 32 ARG N . 10298 1 303 . 1 1 33 33 GLU H H 1 9.164 0.030 . 1 . . . . 33 GLU H . 10298 1 304 . 1 1 33 33 GLU HA H 1 3.766 0.030 . 1 . . . . 33 GLU HA . 10298 1 305 . 1 1 33 33 GLU HB2 H 1 2.044 0.030 . 2 . . . . 33 GLU HB2 . 10298 1 306 . 1 1 33 33 GLU HB3 H 1 2.103 0.030 . 2 . . . . 33 GLU HB3 . 10298 1 307 . 1 1 33 33 GLU HG2 H 1 2.301 0.030 . 2 . . . . 33 GLU HG2 . 10298 1 308 . 1 1 33 33 GLU HG3 H 1 2.240 0.030 . 2 . . . . 33 GLU HG3 . 10298 1 309 . 1 1 33 33 GLU C C 13 178.939 0.300 . 1 . . . . 33 GLU C . 10298 1 310 . 1 1 33 33 GLU CA C 13 60.097 0.300 . 1 . . . . 33 GLU CA . 10298 1 311 . 1 1 33 33 GLU CB C 13 29.340 0.300 . 1 . . . . 33 GLU CB . 10298 1 312 . 1 1 33 33 GLU CG C 13 36.337 0.300 . 1 . . . . 33 GLU CG . 10298 1 313 . 1 1 33 33 GLU N N 15 126.822 0.300 . 1 . . . . 33 GLU N . 10298 1 314 . 1 1 34 34 THR H H 1 7.785 0.030 . 1 . . . . 34 THR H . 10298 1 315 . 1 1 34 34 THR HA H 1 4.055 0.030 . 1 . . . . 34 THR HA . 10298 1 316 . 1 1 34 34 THR HB H 1 4.271 0.030 . 1 . . . . 34 THR HB . 10298 1 317 . 1 1 34 34 THR HG21 H 1 1.253 0.030 . 1 . . . . 34 THR HG2 . 10298 1 318 . 1 1 34 34 THR HG22 H 1 1.253 0.030 . 1 . . . . 34 THR HG2 . 10298 1 319 . 1 1 34 34 THR HG23 H 1 1.253 0.030 . 1 . . . . 34 THR HG2 . 10298 1 320 . 1 1 34 34 THR C C 13 175.387 0.300 . 1 . . . . 34 THR C . 10298 1 321 . 1 1 34 34 THR CA C 13 63.631 0.300 . 1 . . . . 34 THR CA . 10298 1 322 . 1 1 34 34 THR CB C 13 68.560 0.300 . 1 . . . . 34 THR CB . 10298 1 323 . 1 1 34 34 THR CG2 C 13 22.075 0.300 . 1 . . . . 34 THR CG2 . 10298 1 324 . 1 1 34 34 THR N N 15 108.953 0.300 . 1 . . . . 34 THR N . 10298 1 325 . 1 1 35 35 ASP H H 1 7.841 0.030 . 1 . . . . 35 ASP H . 10298 1 326 . 1 1 35 35 ASP HA H 1 4.928 0.030 . 1 . . . . 35 ASP HA . 10298 1 327 . 1 1 35 35 ASP HB2 H 1 2.714 0.030 . 2 . . . . 35 ASP HB2 . 10298 1 328 . 1 1 35 35 ASP HB3 H 1 2.813 0.030 . 2 . . . . 35 ASP HB3 . 10298 1 329 . 1 1 35 35 ASP C C 13 175.827 0.300 . 1 . . . . 35 ASP C . 10298 1 330 . 1 1 35 35 ASP CA C 13 55.169 0.300 . 1 . . . . 35 ASP CA . 10298 1 331 . 1 1 35 35 ASP CB C 13 41.057 0.300 . 1 . . . . 35 ASP CB . 10298 1 332 . 1 1 35 35 ASP N N 15 119.019 0.300 . 1 . . . . 35 ASP N . 10298 1 333 . 1 1 36 36 ILE H H 1 7.388 0.030 . 1 . . . . 36 ILE H . 10298 1 334 . 1 1 36 36 ILE HA H 1 3.495 0.030 . 1 . . . . 36 ILE HA . 10298 1 335 . 1 1 36 36 ILE HB H 1 2.080 0.030 . 1 . . . . 36 ILE HB . 10298 1 336 . 1 1 36 36 ILE HD11 H 1 0.950 0.030 . 1 . . . . 36 ILE HD1 . 10298 1 337 . 1 1 36 36 ILE HD12 H 1 0.950 0.030 . 1 . . . . 36 ILE HD1 . 10298 1 338 . 1 1 36 36 ILE HD13 H 1 0.950 0.030 . 1 . . . . 36 ILE HD1 . 10298 1 339 . 1 1 36 36 ILE HG12 H 1 1.770 0.030 . 2 . . . . 36 ILE HG12 . 10298 1 340 . 1 1 36 36 ILE HG13 H 1 0.703 0.030 . 2 . . . . 36 ILE HG13 . 10298 1 341 . 1 1 36 36 ILE HG21 H 1 0.923 0.030 . 1 . . . . 36 ILE HG2 . 10298 1 342 . 1 1 36 36 ILE HG22 H 1 0.923 0.030 . 1 . . . . 36 ILE HG2 . 10298 1 343 . 1 1 36 36 ILE HG23 H 1 0.923 0.030 . 1 . . . . 36 ILE HG2 . 10298 1 344 . 1 1 36 36 ILE C C 13 174.161 0.300 . 1 . . . . 36 ILE C . 10298 1 345 . 1 1 36 36 ILE CA C 13 67.912 0.300 . 1 . . . . 36 ILE CA . 10298 1 346 . 1 1 36 36 ILE CB C 13 35.457 0.300 . 1 . . . . 36 ILE CB . 10298 1 347 . 1 1 36 36 ILE CD1 C 13 14.206 0.300 . 1 . . . . 36 ILE CD1 . 10298 1 348 . 1 1 36 36 ILE CG1 C 13 30.412 0.300 . 1 . . . . 36 ILE CG1 . 10298 1 349 . 1 1 36 36 ILE CG2 C 13 17.917 0.300 . 1 . . . . 36 ILE CG2 . 10298 1 350 . 1 1 36 36 ILE N N 15 119.567 0.300 . 1 . . . . 36 ILE N . 10298 1 351 . 1 1 37 37 PRO HA H 1 4.232 0.030 . 1 . . . . 37 PRO HA . 10298 1 352 . 1 1 37 37 PRO HB2 H 1 1.924 0.030 . 2 . . . . 37 PRO HB2 . 10298 1 353 . 1 1 37 37 PRO HB3 H 1 2.342 0.030 . 2 . . . . 37 PRO HB3 . 10298 1 354 . 1 1 37 37 PRO HD2 H 1 3.601 0.030 . 2 . . . . 37 PRO HD2 . 10298 1 355 . 1 1 37 37 PRO HD3 H 1 3.715 0.030 . 2 . . . . 37 PRO HD3 . 10298 1 356 . 1 1 37 37 PRO HG2 H 1 1.934 0.030 . 2 . . . . 37 PRO HG2 . 10298 1 357 . 1 1 37 37 PRO HG3 H 1 2.161 0.030 . 2 . . . . 37 PRO HG3 . 10298 1 358 . 1 1 37 37 PRO C C 13 179.572 0.300 . 1 . . . . 37 PRO C . 10298 1 359 . 1 1 37 37 PRO CA C 13 66.890 0.300 . 1 . . . . 37 PRO CA . 10298 1 360 . 1 1 37 37 PRO CB C 13 30.704 0.300 . 1 . . . . 37 PRO CB . 10298 1 361 . 1 1 37 37 PRO CD C 13 49.545 0.300 . 1 . . . . 37 PRO CD . 10298 1 362 . 1 1 37 37 PRO CG C 13 28.364 0.300 . 1 . . . . 37 PRO CG . 10298 1 363 . 1 1 38 38 GLN H H 1 7.837 0.030 . 1 . . . . 38 GLN H . 10298 1 364 . 1 1 38 38 GLN HA H 1 4.143 0.030 . 1 . . . . 38 GLN HA . 10298 1 365 . 1 1 38 38 GLN HB2 H 1 2.217 0.030 . 2 . . . . 38 GLN HB2 . 10298 1 366 . 1 1 38 38 GLN HB3 H 1 2.148 0.030 . 2 . . . . 38 GLN HB3 . 10298 1 367 . 1 1 38 38 GLN HE21 H 1 7.523 0.030 . 2 . . . . 38 GLN HE21 . 10298 1 368 . 1 1 38 38 GLN HE22 H 1 6.782 0.030 . 2 . . . . 38 GLN HE22 . 10298 1 369 . 1 1 38 38 GLN HG2 H 1 2.487 0.030 . 1 . . . . 38 GLN HG2 . 10298 1 370 . 1 1 38 38 GLN HG3 H 1 2.487 0.030 . 1 . . . . 38 GLN HG3 . 10298 1 371 . 1 1 38 38 GLN C C 13 178.918 0.300 . 1 . . . . 38 GLN C . 10298 1 372 . 1 1 38 38 GLN CA C 13 59.171 0.300 . 1 . . . . 38 GLN CA . 10298 1 373 . 1 1 38 38 GLN CB C 13 27.986 0.300 . 1 . . . . 38 GLN CB . 10298 1 374 . 1 1 38 38 GLN CG C 13 34.035 0.300 . 1 . . . . 38 GLN CG . 10298 1 375 . 1 1 38 38 GLN N N 15 117.627 0.300 . 1 . . . . 38 GLN N . 10298 1 376 . 1 1 38 38 GLN NE2 N 15 110.910 0.300 . 1 . . . . 38 GLN NE2 . 10298 1 377 . 1 1 39 39 LEU H H 1 7.991 0.030 . 1 . . . . 39 LEU H . 10298 1 378 . 1 1 39 39 LEU HA H 1 3.995 0.030 . 1 . . . . 39 LEU HA . 10298 1 379 . 1 1 39 39 LEU HB2 H 1 1.045 0.030 . 2 . . . . 39 LEU HB2 . 10298 1 380 . 1 1 39 39 LEU HB3 H 1 1.802 0.030 . 2 . . . . 39 LEU HB3 . 10298 1 381 . 1 1 39 39 LEU HD11 H 1 -0.113 0.030 . 1 . . . . 39 LEU HD1 . 10298 1 382 . 1 1 39 39 LEU HD12 H 1 -0.113 0.030 . 1 . . . . 39 LEU HD1 . 10298 1 383 . 1 1 39 39 LEU HD13 H 1 -0.113 0.030 . 1 . . . . 39 LEU HD1 . 10298 1 384 . 1 1 39 39 LEU HD21 H 1 0.626 0.030 . 1 . . . . 39 LEU HD2 . 10298 1 385 . 1 1 39 39 LEU HD22 H 1 0.626 0.030 . 1 . . . . 39 LEU HD2 . 10298 1 386 . 1 1 39 39 LEU HD23 H 1 0.626 0.030 . 1 . . . . 39 LEU HD2 . 10298 1 387 . 1 1 39 39 LEU HG H 1 1.475 0.030 . 1 . . . . 39 LEU HG . 10298 1 388 . 1 1 39 39 LEU C C 13 180.831 0.300 . 1 . . . . 39 LEU C . 10298 1 389 . 1 1 39 39 LEU CA C 13 57.722 0.300 . 1 . . . . 39 LEU CA . 10298 1 390 . 1 1 39 39 LEU CB C 13 42.314 0.300 . 1 . . . . 39 LEU CB . 10298 1 391 . 1 1 39 39 LEU CD1 C 13 24.978 0.300 . 2 . . . . 39 LEU CD1 . 10298 1 392 . 1 1 39 39 LEU CD2 C 13 21.964 0.300 . 2 . . . . 39 LEU CD2 . 10298 1 393 . 1 1 39 39 LEU CG C 13 26.364 0.300 . 1 . . . . 39 LEU CG . 10298 1 394 . 1 1 39 39 LEU N N 15 121.128 0.300 . 1 . . . . 39 LEU N . 10298 1 395 . 1 1 40 40 SER H H 1 8.980 0.030 . 1 . . . . 40 SER H . 10298 1 396 . 1 1 40 40 SER HA H 1 4.086 0.030 . 1 . . . . 40 SER HA . 10298 1 397 . 1 1 40 40 SER HB2 H 1 3.948 0.030 . 2 . . . . 40 SER HB2 . 10298 1 398 . 1 1 40 40 SER HB3 H 1 3.780 0.030 . 2 . . . . 40 SER HB3 . 10298 1 399 . 1 1 40 40 SER C C 13 176.517 0.300 . 1 . . . . 40 SER C . 10298 1 400 . 1 1 40 40 SER CA C 13 60.859 0.300 . 1 . . . . 40 SER CA . 10298 1 401 . 1 1 40 40 SER CB C 13 63.255 0.300 . 1 . . . . 40 SER CB . 10298 1 402 . 1 1 40 40 SER N N 15 117.510 0.300 . 1 . . . . 40 SER N . 10298 1 403 . 1 1 41 41 GLN H H 1 8.074 0.030 . 1 . . . . 41 GLN H . 10298 1 404 . 1 1 41 41 GLN HA H 1 4.014 0.030 . 1 . . . . 41 GLN HA . 10298 1 405 . 1 1 41 41 GLN HB2 H 1 2.180 0.030 . 1 . . . . 41 GLN HB2 . 10298 1 406 . 1 1 41 41 GLN HB3 H 1 2.180 0.030 . 1 . . . . 41 GLN HB3 . 10298 1 407 . 1 1 41 41 GLN HE21 H 1 6.981 0.030 . 2 . . . . 41 GLN HE21 . 10298 1 408 . 1 1 41 41 GLN HE22 H 1 7.445 0.030 . 2 . . . . 41 GLN HE22 . 10298 1 409 . 1 1 41 41 GLN HG2 H 1 2.497 0.030 . 2 . . . . 41 GLN HG2 . 10298 1 410 . 1 1 41 41 GLN HG3 H 1 2.391 0.030 . 2 . . . . 41 GLN HG3 . 10298 1 411 . 1 1 41 41 GLN C C 13 178.637 0.300 . 1 . . . . 41 GLN C . 10298 1 412 . 1 1 41 41 GLN CA C 13 58.955 0.300 . 1 . . . . 41 GLN CA . 10298 1 413 . 1 1 41 41 GLN CB C 13 28.421 0.300 . 1 . . . . 41 GLN CB . 10298 1 414 . 1 1 41 41 GLN CG C 13 33.815 0.300 . 1 . . . . 41 GLN CG . 10298 1 415 . 1 1 41 41 GLN N N 15 120.218 0.300 . 1 . . . . 41 GLN N . 10298 1 416 . 1 1 41 41 GLN NE2 N 15 111.662 0.300 . 1 . . . . 41 GLN NE2 . 10298 1 417 . 1 1 42 42 ALA H H 1 8.149 0.030 . 1 . . . . 42 ALA H . 10298 1 418 . 1 1 42 42 ALA HA H 1 4.162 0.030 . 1 . . . . 42 ALA HA . 10298 1 419 . 1 1 42 42 ALA HB1 H 1 1.455 0.030 . 1 . . . . 42 ALA HB . 10298 1 420 . 1 1 42 42 ALA HB2 H 1 1.455 0.030 . 1 . . . . 42 ALA HB . 10298 1 421 . 1 1 42 42 ALA HB3 H 1 1.455 0.030 . 1 . . . . 42 ALA HB . 10298 1 422 . 1 1 42 42 ALA C C 13 178.442 0.300 . 1 . . . . 42 ALA C . 10298 1 423 . 1 1 42 42 ALA CA C 13 54.567 0.300 . 1 . . . . 42 ALA CA . 10298 1 424 . 1 1 42 42 ALA CB C 13 19.202 0.300 . 1 . . . . 42 ALA CB . 10298 1 425 . 1 1 42 42 ALA N N 15 118.903 0.300 . 1 . . . . 42 ALA N . 10298 1 426 . 1 1 43 43 SER H H 1 7.784 0.030 . 1 . . . . 43 SER H . 10298 1 427 . 1 1 43 43 SER HA H 1 4.851 0.030 . 1 . . . . 43 SER HA . 10298 1 428 . 1 1 43 43 SER HB2 H 1 3.862 0.030 . 2 . . . . 43 SER HB2 . 10298 1 429 . 1 1 43 43 SER HB3 H 1 3.545 0.030 . 2 . . . . 43 SER HB3 . 10298 1 430 . 1 1 43 43 SER C C 13 175.304 0.300 . 1 . . . . 43 SER C . 10298 1 431 . 1 1 43 43 SER CA C 13 59.180 0.300 . 1 . . . . 43 SER CA . 10298 1 432 . 1 1 43 43 SER CB C 13 66.897 0.300 . 1 . . . . 43 SER CB . 10298 1 433 . 1 1 43 43 SER N N 15 109.522 0.300 . 1 . . . . 43 SER N . 10298 1 434 . 1 1 44 44 ARG H H 1 7.799 0.030 . 1 . . . . 44 ARG H . 10298 1 435 . 1 1 44 44 ARG HA H 1 3.872 0.030 . 1 . . . . 44 ARG HA . 10298 1 436 . 1 1 44 44 ARG HB2 H 1 1.939 0.030 . 2 . . . . 44 ARG HB2 . 10298 1 437 . 1 1 44 44 ARG HB3 H 1 2.256 0.030 . 2 . . . . 44 ARG HB3 . 10298 1 438 . 1 1 44 44 ARG HD2 H 1 3.093 0.030 . 2 . . . . 44 ARG HD2 . 10298 1 439 . 1 1 44 44 ARG HD3 H 1 3.316 0.030 . 2 . . . . 44 ARG HD3 . 10298 1 440 . 1 1 44 44 ARG HG2 H 1 1.570 0.030 . 2 . . . . 44 ARG HG2 . 10298 1 441 . 1 1 44 44 ARG C C 13 175.312 0.300 . 1 . . . . 44 ARG C . 10298 1 442 . 1 1 44 44 ARG CA C 13 58.582 0.300 . 1 . . . . 44 ARG CA . 10298 1 443 . 1 1 44 44 ARG CB C 13 26.661 0.300 . 1 . . . . 44 ARG CB . 10298 1 444 . 1 1 44 44 ARG CD C 13 43.411 0.300 . 1 . . . . 44 ARG CD . 10298 1 445 . 1 1 44 44 ARG CG C 13 28.229 0.300 . 1 . . . . 44 ARG CG . 10298 1 446 . 1 1 44 44 ARG N N 15 114.335 0.300 . 1 . . . . 44 ARG N . 10298 1 447 . 1 1 45 45 LEU H H 1 7.759 0.030 . 1 . . . . 45 LEU H . 10298 1 448 . 1 1 45 45 LEU HA H 1 4.571 0.030 . 1 . . . . 45 LEU HA . 10298 1 449 . 1 1 45 45 LEU HB2 H 1 1.461 0.030 . 2 . . . . 45 LEU HB2 . 10298 1 450 . 1 1 45 45 LEU HB3 H 1 1.721 0.030 . 2 . . . . 45 LEU HB3 . 10298 1 451 . 1 1 45 45 LEU HD11 H 1 0.611 0.030 . 1 . . . . 45 LEU HD1 . 10298 1 452 . 1 1 45 45 LEU HD12 H 1 0.611 0.030 . 1 . . . . 45 LEU HD1 . 10298 1 453 . 1 1 45 45 LEU HD13 H 1 0.611 0.030 . 1 . . . . 45 LEU HD1 . 10298 1 454 . 1 1 45 45 LEU HD21 H 1 0.732 0.030 . 1 . . . . 45 LEU HD2 . 10298 1 455 . 1 1 45 45 LEU HD22 H 1 0.732 0.030 . 1 . . . . 45 LEU HD2 . 10298 1 456 . 1 1 45 45 LEU HD23 H 1 0.732 0.030 . 1 . . . . 45 LEU HD2 . 10298 1 457 . 1 1 45 45 LEU HG H 1 1.435 0.030 . 1 . . . . 45 LEU HG . 10298 1 458 . 1 1 45 45 LEU C C 13 177.069 0.300 . 1 . . . . 45 LEU C . 10298 1 459 . 1 1 45 45 LEU CA C 13 53.471 0.300 . 1 . . . . 45 LEU CA . 10298 1 460 . 1 1 45 45 LEU CB C 13 43.845 0.300 . 1 . . . . 45 LEU CB . 10298 1 461 . 1 1 45 45 LEU CD1 C 13 25.648 0.300 . 2 . . . . 45 LEU CD1 . 10298 1 462 . 1 1 45 45 LEU CD2 C 13 23.142 0.300 . 2 . . . . 45 LEU CD2 . 10298 1 463 . 1 1 45 45 LEU CG C 13 26.657 0.300 . 1 . . . . 45 LEU CG . 10298 1 464 . 1 1 45 45 LEU N N 15 120.316 0.300 . 1 . . . . 45 LEU N . 10298 1 465 . 1 1 46 46 SER H H 1 9.062 0.030 . 1 . . . . 46 SER H . 10298 1 466 . 1 1 46 46 SER HA H 1 4.446 0.030 . 1 . . . . 46 SER HA . 10298 1 467 . 1 1 46 46 SER HB2 H 1 3.980 0.030 . 2 . . . . 46 SER HB2 . 10298 1 468 . 1 1 46 46 SER HB3 H 1 4.389 0.030 . 2 . . . . 46 SER HB3 . 10298 1 469 . 1 1 46 46 SER C C 13 174.731 0.300 . 1 . . . . 46 SER C . 10298 1 470 . 1 1 46 46 SER CA C 13 57.302 0.300 . 1 . . . . 46 SER CA . 10298 1 471 . 1 1 46 46 SER CB C 13 65.202 0.300 . 1 . . . . 46 SER CB . 10298 1 472 . 1 1 46 46 SER N N 15 117.855 0.300 . 1 . . . . 46 SER N . 10298 1 473 . 1 1 47 47 THR H H 1 8.770 0.030 . 1 . . . . 47 THR H . 10298 1 474 . 1 1 47 47 THR HA H 1 3.578 0.030 . 1 . . . . 47 THR HA . 10298 1 475 . 1 1 47 47 THR HB H 1 4.132 0.030 . 1 . . . . 47 THR HB . 10298 1 476 . 1 1 47 47 THR HG21 H 1 1.231 0.030 . 1 . . . . 47 THR HG2 . 10298 1 477 . 1 1 47 47 THR HG22 H 1 1.231 0.030 . 1 . . . . 47 THR HG2 . 10298 1 478 . 1 1 47 47 THR HG23 H 1 1.231 0.030 . 1 . . . . 47 THR HG2 . 10298 1 479 . 1 1 47 47 THR C C 13 176.003 0.300 . 1 . . . . 47 THR C . 10298 1 480 . 1 1 47 47 THR CA C 13 67.477 0.300 . 1 . . . . 47 THR CA . 10298 1 481 . 1 1 47 47 THR CB C 13 68.317 0.300 . 1 . . . . 47 THR CB . 10298 1 482 . 1 1 47 47 THR CG2 C 13 22.014 0.300 . 1 . . . . 47 THR CG2 . 10298 1 483 . 1 1 47 47 THR N N 15 115.428 0.300 . 1 . . . . 47 THR N . 10298 1 484 . 1 1 48 48 GLN H H 1 8.292 0.030 . 1 . . . . 48 GLN H . 10298 1 485 . 1 1 48 48 GLN HA H 1 3.890 0.030 . 1 . . . . 48 GLN HA . 10298 1 486 . 1 1 48 48 GLN HB2 H 1 1.859 0.030 . 2 . . . . 48 GLN HB2 . 10298 1 487 . 1 1 48 48 GLN HB3 H 1 2.161 0.030 . 2 . . . . 48 GLN HB3 . 10298 1 488 . 1 1 48 48 GLN HE21 H 1 7.909 0.030 . 2 . . . . 48 GLN HE21 . 10298 1 489 . 1 1 48 48 GLN HE22 H 1 6.978 0.030 . 2 . . . . 48 GLN HE22 . 10298 1 490 . 1 1 48 48 GLN HG2 H 1 2.379 0.030 . 1 . . . . 48 GLN HG2 . 10298 1 491 . 1 1 48 48 GLN HG3 H 1 2.379 0.030 . 1 . . . . 48 GLN HG3 . 10298 1 492 . 1 1 48 48 GLN C C 13 177.625 0.300 . 1 . . . . 48 GLN C . 10298 1 493 . 1 1 48 48 GLN CA C 13 58.482 0.300 . 1 . . . . 48 GLN CA . 10298 1 494 . 1 1 48 48 GLN CB C 13 28.614 0.300 . 1 . . . . 48 GLN CB . 10298 1 495 . 1 1 48 48 GLN CG C 13 33.734 0.300 . 1 . . . . 48 GLN CG . 10298 1 496 . 1 1 48 48 GLN N N 15 119.078 0.300 . 1 . . . . 48 GLN N . 10298 1 497 . 1 1 48 48 GLN NE2 N 15 117.176 0.300 . 1 . . . . 48 GLN NE2 . 10298 1 498 . 1 1 49 49 GLN H H 1 7.765 0.030 . 1 . . . . 49 GLN H . 10298 1 499 . 1 1 49 49 GLN HA H 1 4.153 0.030 . 1 . . . . 49 GLN HA . 10298 1 500 . 1 1 49 49 GLN HB2 H 1 1.950 0.030 . 2 . . . . 49 GLN HB2 . 10298 1 501 . 1 1 49 49 GLN HB3 H 1 2.524 0.030 . 2 . . . . 49 GLN HB3 . 10298 1 502 . 1 1 49 49 GLN HE21 H 1 6.889 0.030 . 2 . . . . 49 GLN HE21 . 10298 1 503 . 1 1 49 49 GLN HE22 H 1 7.668 0.030 . 2 . . . . 49 GLN HE22 . 10298 1 504 . 1 1 49 49 GLN HG2 H 1 2.519 0.030 . 2 . . . . 49 GLN HG2 . 10298 1 505 . 1 1 49 49 GLN HG3 H 1 2.461 0.030 . 2 . . . . 49 GLN HG3 . 10298 1 506 . 1 1 49 49 GLN C C 13 180.153 0.300 . 1 . . . . 49 GLN C . 10298 1 507 . 1 1 49 49 GLN CA C 13 58.927 0.300 . 1 . . . . 49 GLN CA . 10298 1 508 . 1 1 49 49 GLN CB C 13 30.030 0.300 . 1 . . . . 49 GLN CB . 10298 1 509 . 1 1 49 49 GLN CG C 13 35.164 0.300 . 1 . . . . 49 GLN CG . 10298 1 510 . 1 1 49 49 GLN N N 15 117.667 0.300 . 1 . . . . 49 GLN N . 10298 1 511 . 1 1 49 49 GLN NE2 N 15 112.516 0.300 . 1 . . . . 49 GLN NE2 . 10298 1 512 . 1 1 50 50 VAL H H 1 8.465 0.030 . 1 . . . . 50 VAL H . 10298 1 513 . 1 1 50 50 VAL HA H 1 3.620 0.030 . 1 . . . . 50 VAL HA . 10298 1 514 . 1 1 50 50 VAL HB H 1 2.364 0.030 . 1 . . . . 50 VAL HB . 10298 1 515 . 1 1 50 50 VAL HG11 H 1 1.025 0.030 . 1 . . . . 50 VAL HG1 . 10298 1 516 . 1 1 50 50 VAL HG12 H 1 1.025 0.030 . 1 . . . . 50 VAL HG1 . 10298 1 517 . 1 1 50 50 VAL HG13 H 1 1.025 0.030 . 1 . . . . 50 VAL HG1 . 10298 1 518 . 1 1 50 50 VAL HG21 H 1 0.857 0.030 . 1 . . . . 50 VAL HG2 . 10298 1 519 . 1 1 50 50 VAL HG22 H 1 0.857 0.030 . 1 . . . . 50 VAL HG2 . 10298 1 520 . 1 1 50 50 VAL HG23 H 1 0.857 0.030 . 1 . . . . 50 VAL HG2 . 10298 1 521 . 1 1 50 50 VAL C C 13 177.691 0.300 . 1 . . . . 50 VAL C . 10298 1 522 . 1 1 50 50 VAL CA C 13 67.588 0.300 . 1 . . . . 50 VAL CA . 10298 1 523 . 1 1 50 50 VAL CB C 13 31.470 0.300 . 1 . . . . 50 VAL CB . 10298 1 524 . 1 1 50 50 VAL CG1 C 13 22.588 0.300 . 2 . . . . 50 VAL CG1 . 10298 1 525 . 1 1 50 50 VAL CG2 C 13 23.386 0.300 . 2 . . . . 50 VAL CG2 . 10298 1 526 . 1 1 50 50 VAL N N 15 122.227 0.300 . 1 . . . . 50 VAL N . 10298 1 527 . 1 1 51 51 LEU H H 1 8.119 0.030 . 1 . . . . 51 LEU H . 10298 1 528 . 1 1 51 51 LEU HA H 1 3.975 0.030 . 1 . . . . 51 LEU HA . 10298 1 529 . 1 1 51 51 LEU HB2 H 1 1.607 0.030 . 2 . . . . 51 LEU HB2 . 10298 1 530 . 1 1 51 51 LEU HB3 H 1 1.954 0.030 . 2 . . . . 51 LEU HB3 . 10298 1 531 . 1 1 51 51 LEU HD11 H 1 0.871 0.030 . 1 . . . . 51 LEU HD1 . 10298 1 532 . 1 1 51 51 LEU HD12 H 1 0.871 0.030 . 1 . . . . 51 LEU HD1 . 10298 1 533 . 1 1 51 51 LEU HD13 H 1 0.871 0.030 . 1 . . . . 51 LEU HD1 . 10298 1 534 . 1 1 51 51 LEU HD21 H 1 0.867 0.030 . 1 . . . . 51 LEU HD2 . 10298 1 535 . 1 1 51 51 LEU HD22 H 1 0.867 0.030 . 1 . . . . 51 LEU HD2 . 10298 1 536 . 1 1 51 51 LEU HD23 H 1 0.867 0.030 . 1 . . . . 51 LEU HD2 . 10298 1 537 . 1 1 51 51 LEU HG H 1 1.719 0.030 . 1 . . . . 51 LEU HG . 10298 1 538 . 1 1 51 51 LEU C C 13 179.950 0.300 . 1 . . . . 51 LEU C . 10298 1 539 . 1 1 51 51 LEU CA C 13 59.206 0.300 . 1 . . . . 51 LEU CA . 10298 1 540 . 1 1 51 51 LEU CB C 13 41.515 0.300 . 1 . . . . 51 LEU CB . 10298 1 541 . 1 1 51 51 LEU CD1 C 13 25.398 0.300 . 2 . . . . 51 LEU CD1 . 10298 1 542 . 1 1 51 51 LEU CD2 C 13 23.809 0.300 . 2 . . . . 51 LEU CD2 . 10298 1 543 . 1 1 51 51 LEU CG C 13 27.117 0.300 . 1 . . . . 51 LEU CG . 10298 1 544 . 1 1 51 51 LEU N N 15 120.724 0.300 . 1 . . . . 51 LEU N . 10298 1 545 . 1 1 52 52 ASP H H 1 8.780 0.030 . 1 . . . . 52 ASP H . 10298 1 546 . 1 1 52 52 ASP HA H 1 4.344 0.030 . 1 . . . . 52 ASP HA . 10298 1 547 . 1 1 52 52 ASP HB2 H 1 2.689 0.030 . 2 . . . . 52 ASP HB2 . 10298 1 548 . 1 1 52 52 ASP HB3 H 1 2.775 0.030 . 2 . . . . 52 ASP HB3 . 10298 1 549 . 1 1 52 52 ASP C C 13 178.654 0.300 . 1 . . . . 52 ASP C . 10298 1 550 . 1 1 52 52 ASP CA C 13 57.310 0.300 . 1 . . . . 52 ASP CA . 10298 1 551 . 1 1 52 52 ASP CB C 13 40.418 0.300 . 1 . . . . 52 ASP CB . 10298 1 552 . 1 1 52 52 ASP N N 15 118.559 0.300 . 1 . . . . 52 ASP N . 10298 1 553 . 1 1 53 53 TRP H H 1 8.180 0.030 . 1 . . . . 53 TRP H . 10298 1 554 . 1 1 53 53 TRP HA H 1 3.905 0.030 . 1 . . . . 53 TRP HA . 10298 1 555 . 1 1 53 53 TRP HB2 H 1 3.162 0.030 . 2 . . . . 53 TRP HB2 . 10298 1 556 . 1 1 53 53 TRP HB3 H 1 3.416 0.030 . 2 . . . . 53 TRP HB3 . 10298 1 557 . 1 1 53 53 TRP HD1 H 1 7.093 0.030 . 1 . . . . 53 TRP HD1 . 10298 1 558 . 1 1 53 53 TRP HE1 H 1 9.745 0.030 . 1 . . . . 53 TRP HE1 . 10298 1 559 . 1 1 53 53 TRP HE3 H 1 5.960 0.030 . 1 . . . . 53 TRP HE3 . 10298 1 560 . 1 1 53 53 TRP HH2 H 1 6.495 0.030 . 1 . . . . 53 TRP HH2 . 10298 1 561 . 1 1 53 53 TRP HZ2 H 1 7.096 0.030 . 1 . . . . 53 TRP HZ2 . 10298 1 562 . 1 1 53 53 TRP HZ3 H 1 5.824 0.030 . 1 . . . . 53 TRP HZ3 . 10298 1 563 . 1 1 53 53 TRP C C 13 180.216 0.300 . 1 . . . . 53 TRP C . 10298 1 564 . 1 1 53 53 TRP CA C 13 62.801 0.300 . 1 . . . . 53 TRP CA . 10298 1 565 . 1 1 53 53 TRP CB C 13 29.117 0.300 . 1 . . . . 53 TRP CB . 10298 1 566 . 1 1 53 53 TRP CD1 C 13 126.852 0.300 . 1 . . . . 53 TRP CD1 . 10298 1 567 . 1 1 53 53 TRP CE3 C 13 120.455 0.300 . 1 . . . . 53 TRP CE3 . 10298 1 568 . 1 1 53 53 TRP CH2 C 13 122.628 0.300 . 1 . . . . 53 TRP CH2 . 10298 1 569 . 1 1 53 53 TRP CZ2 C 13 113.809 0.300 . 1 . . . . 53 TRP CZ2 . 10298 1 570 . 1 1 53 53 TRP CZ3 C 13 121.211 0.300 . 1 . . . . 53 TRP CZ3 . 10298 1 571 . 1 1 53 53 TRP N N 15 123.121 0.300 . 1 . . . . 53 TRP N . 10298 1 572 . 1 1 53 53 TRP NE1 N 15 128.818 0.300 . 1 . . . . 53 TRP NE1 . 10298 1 573 . 1 1 54 54 PHE H H 1 8.371 0.030 . 1 . . . . 54 PHE H . 10298 1 574 . 1 1 54 54 PHE HA H 1 3.786 0.030 . 1 . . . . 54 PHE HA . 10298 1 575 . 1 1 54 54 PHE HB2 H 1 3.162 0.030 . 2 . . . . 54 PHE HB2 . 10298 1 576 . 1 1 54 54 PHE HB3 H 1 3.280 0.030 . 2 . . . . 54 PHE HB3 . 10298 1 577 . 1 1 54 54 PHE HD1 H 1 7.867 0.030 . 1 . . . . 54 PHE HD1 . 10298 1 578 . 1 1 54 54 PHE HD2 H 1 7.867 0.030 . 1 . . . . 54 PHE HD2 . 10298 1 579 . 1 1 54 54 PHE HE1 H 1 7.514 0.030 . 1 . . . . 54 PHE HE1 . 10298 1 580 . 1 1 54 54 PHE HE2 H 1 7.514 0.030 . 1 . . . . 54 PHE HE2 . 10298 1 581 . 1 1 54 54 PHE HZ H 1 7.375 0.030 . 1 . . . . 54 PHE HZ . 10298 1 582 . 1 1 54 54 PHE C C 13 178.605 0.300 . 1 . . . . 54 PHE C . 10298 1 583 . 1 1 54 54 PHE CA C 13 63.242 0.300 . 1 . . . . 54 PHE CA . 10298 1 584 . 1 1 54 54 PHE CB C 13 39.446 0.300 . 1 . . . . 54 PHE CB . 10298 1 585 . 1 1 54 54 PHE CD1 C 13 133.219 0.300 . 1 . . . . 54 PHE CD1 . 10298 1 586 . 1 1 54 54 PHE CD2 C 13 133.219 0.300 . 1 . . . . 54 PHE CD2 . 10298 1 587 . 1 1 54 54 PHE CE1 C 13 131.428 0.300 . 1 . . . . 54 PHE CE1 . 10298 1 588 . 1 1 54 54 PHE CE2 C 13 131.428 0.300 . 1 . . . . 54 PHE CE2 . 10298 1 589 . 1 1 54 54 PHE CZ C 13 130.312 0.300 . 1 . . . . 54 PHE CZ . 10298 1 590 . 1 1 54 54 PHE N N 15 117.319 0.300 . 1 . . . . 54 PHE N . 10298 1 591 . 1 1 55 55 ASP H H 1 8.609 0.030 . 1 . . . . 55 ASP H . 10298 1 592 . 1 1 55 55 ASP HA H 1 4.499 0.030 . 1 . . . . 55 ASP HA . 10298 1 593 . 1 1 55 55 ASP HB2 H 1 2.660 0.030 . 2 . . . . 55 ASP HB2 . 10298 1 594 . 1 1 55 55 ASP HB3 H 1 2.842 0.030 . 2 . . . . 55 ASP HB3 . 10298 1 595 . 1 1 55 55 ASP C C 13 177.993 0.300 . 1 . . . . 55 ASP C . 10298 1 596 . 1 1 55 55 ASP CA C 13 57.370 0.300 . 1 . . . . 55 ASP CA . 10298 1 597 . 1 1 55 55 ASP CB C 13 41.096 0.300 . 1 . . . . 55 ASP CB . 10298 1 598 . 1 1 55 55 ASP N N 15 120.805 0.300 . 1 . . . . 55 ASP N . 10298 1 599 . 1 1 56 56 SER H H 1 7.450 0.030 . 1 . . . . 56 SER H . 10298 1 600 . 1 1 56 56 SER HA H 1 4.236 0.030 . 1 . . . . 56 SER HA . 10298 1 601 . 1 1 56 56 SER HB2 H 1 3.750 0.030 . 1 . . . . 56 SER HB2 . 10298 1 602 . 1 1 56 56 SER HB3 H 1 3.750 0.030 . 1 . . . . 56 SER HB3 . 10298 1 603 . 1 1 56 56 SER C C 13 174.228 0.300 . 1 . . . . 56 SER C . 10298 1 604 . 1 1 56 56 SER CA C 13 59.538 0.300 . 1 . . . . 56 SER CA . 10298 1 605 . 1 1 56 56 SER CB C 13 63.340 0.300 . 1 . . . . 56 SER CB . 10298 1 606 . 1 1 56 56 SER N N 15 111.640 0.300 . 1 . . . . 56 SER N . 10298 1 607 . 1 1 57 57 ARG H H 1 7.061 0.030 . 1 . . . . 57 ARG H . 10298 1 608 . 1 1 57 57 ARG HA H 1 3.803 0.030 . 1 . . . . 57 ARG HA . 10298 1 609 . 1 1 57 57 ARG HB2 H 1 0.858 0.030 . 2 . . . . 57 ARG HB2 . 10298 1 610 . 1 1 57 57 ARG HB3 H 1 0.775 0.030 . 2 . . . . 57 ARG HB3 . 10298 1 611 . 1 1 57 57 ARG HD2 H 1 1.355 0.030 . 2 . . . . 57 ARG HD2 . 10298 1 612 . 1 1 57 57 ARG HD3 H 1 1.470 0.030 . 2 . . . . 57 ARG HD3 . 10298 1 613 . 1 1 57 57 ARG HG2 H 1 0.108 0.030 . 2 . . . . 57 ARG HG2 . 10298 1 614 . 1 1 57 57 ARG HG3 H 1 0.367 0.030 . 2 . . . . 57 ARG HG3 . 10298 1 615 . 1 1 57 57 ARG C C 13 175.909 0.300 . 1 . . . . 57 ARG C . 10298 1 616 . 1 1 57 57 ARG CA C 13 55.254 0.300 . 1 . . . . 57 ARG CA . 10298 1 617 . 1 1 57 57 ARG CB C 13 30.216 0.300 . 1 . . . . 57 ARG CB . 10298 1 618 . 1 1 57 57 ARG CD C 13 41.421 0.300 . 1 . . . . 57 ARG CD . 10298 1 619 . 1 1 57 57 ARG CG C 13 25.412 0.300 . 1 . . . . 57 ARG CG . 10298 1 620 . 1 1 57 57 ARG N N 15 120.670 0.300 . 1 . . . . 57 ARG N . 10298 1 621 . 1 1 58 58 LEU H H 1 7.519 0.030 . 1 . . . . 58 LEU H . 10298 1 622 . 1 1 58 58 LEU HA H 1 4.611 0.030 . 1 . . . . 58 LEU HA . 10298 1 623 . 1 1 58 58 LEU HB2 H 1 1.697 0.030 . 2 . . . . 58 LEU HB2 . 10298 1 624 . 1 1 58 58 LEU HB3 H 1 1.629 0.030 . 2 . . . . 58 LEU HB3 . 10298 1 625 . 1 1 58 58 LEU HD11 H 1 1.064 0.030 . 1 . . . . 58 LEU HD1 . 10298 1 626 . 1 1 58 58 LEU HD12 H 1 1.064 0.030 . 1 . . . . 58 LEU HD1 . 10298 1 627 . 1 1 58 58 LEU HD13 H 1 1.064 0.030 . 1 . . . . 58 LEU HD1 . 10298 1 628 . 1 1 58 58 LEU HD21 H 1 1.100 0.030 . 1 . . . . 58 LEU HD2 . 10298 1 629 . 1 1 58 58 LEU HD22 H 1 1.100 0.030 . 1 . . . . 58 LEU HD2 . 10298 1 630 . 1 1 58 58 LEU HD23 H 1 1.100 0.030 . 1 . . . . 58 LEU HD2 . 10298 1 631 . 1 1 58 58 LEU HG H 1 1.839 0.030 . 1 . . . . 58 LEU HG . 10298 1 632 . 1 1 58 58 LEU C C 13 174.867 0.300 . 1 . . . . 58 LEU C . 10298 1 633 . 1 1 58 58 LEU CA C 13 53.322 0.300 . 1 . . . . 58 LEU CA . 10298 1 634 . 1 1 58 58 LEU CB C 13 41.891 0.300 . 1 . . . . 58 LEU CB . 10298 1 635 . 1 1 58 58 LEU CD1 C 13 25.499 0.300 . 2 . . . . 58 LEU CD1 . 10298 1 636 . 1 1 58 58 LEU CD2 C 13 23.764 0.300 . 2 . . . . 58 LEU CD2 . 10298 1 637 . 1 1 58 58 LEU CG C 13 27.150 0.300 . 1 . . . . 58 LEU CG . 10298 1 638 . 1 1 58 58 LEU N N 15 122.146 0.300 . 1 . . . . 58 LEU N . 10298 1 639 . 1 1 59 59 PRO HA H 1 4.489 0.030 . 1 . . . . 59 PRO HA . 10298 1 640 . 1 1 59 59 PRO HB2 H 1 1.905 0.030 . 2 . . . . 59 PRO HB2 . 10298 1 641 . 1 1 59 59 PRO HB3 H 1 2.328 0.030 . 2 . . . . 59 PRO HB3 . 10298 1 642 . 1 1 59 59 PRO HD2 H 1 3.719 0.030 . 2 . . . . 59 PRO HD2 . 10298 1 643 . 1 1 59 59 PRO HD3 H 1 3.946 0.030 . 2 . . . . 59 PRO HD3 . 10298 1 644 . 1 1 59 59 PRO HG2 H 1 2.097 0.030 . 2 . . . . 59 PRO HG2 . 10298 1 645 . 1 1 59 59 PRO C C 13 176.849 0.300 . 1 . . . . 59 PRO C . 10298 1 646 . 1 1 59 59 PRO CA C 13 63.047 0.300 . 1 . . . . 59 PRO CA . 10298 1 647 . 1 1 59 59 PRO CB C 13 32.066 0.300 . 1 . . . . 59 PRO CB . 10298 1 648 . 1 1 59 59 PRO CD C 13 50.618 0.300 . 1 . . . . 59 PRO CD . 10298 1 649 . 1 1 59 59 PRO CG C 13 27.551 0.300 . 1 . . . . 59 PRO CG . 10298 1 650 . 1 1 60 60 GLN H H 1 8.496 0.030 . 1 . . . . 60 GLN H . 10298 1 651 . 1 1 60 60 GLN HA H 1 4.595 0.030 . 1 . . . . 60 GLN HA . 10298 1 652 . 1 1 60 60 GLN HB2 H 1 1.902 0.030 . 2 . . . . 60 GLN HB2 . 10298 1 653 . 1 1 60 60 GLN HB3 H 1 2.105 0.030 . 2 . . . . 60 GLN HB3 . 10298 1 654 . 1 1 60 60 GLN HE21 H 1 6.855 0.030 . 2 . . . . 60 GLN HE21 . 10298 1 655 . 1 1 60 60 GLN HE22 H 1 7.549 0.030 . 2 . . . . 60 GLN HE22 . 10298 1 656 . 1 1 60 60 GLN HG2 H 1 2.420 0.030 . 1 . . . . 60 GLN HG2 . 10298 1 657 . 1 1 60 60 GLN HG3 H 1 2.420 0.030 . 1 . . . . 60 GLN HG3 . 10298 1 658 . 1 1 60 60 GLN C C 13 174.178 0.300 . 1 . . . . 60 GLN C . 10298 1 659 . 1 1 60 60 GLN CA C 13 53.464 0.300 . 1 . . . . 60 GLN CA . 10298 1 660 . 1 1 60 60 GLN CB C 13 28.989 0.300 . 1 . . . . 60 GLN CB . 10298 1 661 . 1 1 60 60 GLN CG C 13 33.577 0.300 . 1 . . . . 60 GLN CG . 10298 1 662 . 1 1 60 60 GLN N N 15 121.828 0.300 . 1 . . . . 60 GLN N . 10298 1 663 . 1 1 60 60 GLN NE2 N 15 113.363 0.300 . 1 . . . . 60 GLN NE2 . 10298 1 664 . 1 1 61 61 PRO HA H 1 4.397 0.030 . 1 . . . . 61 PRO HA . 10298 1 665 . 1 1 61 61 PRO HB2 H 1 1.913 0.030 . 2 . . . . 61 PRO HB2 . 10298 1 666 . 1 1 61 61 PRO HB3 H 1 2.318 0.030 . 2 . . . . 61 PRO HB3 . 10298 1 667 . 1 1 61 61 PRO HD2 H 1 3.813 0.030 . 2 . . . . 61 PRO HD2 . 10298 1 668 . 1 1 61 61 PRO HD3 H 1 3.632 0.030 . 2 . . . . 61 PRO HD3 . 10298 1 669 . 1 1 61 61 PRO HG2 H 1 2.030 0.030 . 2 . . . . 61 PRO HG2 . 10298 1 670 . 1 1 61 61 PRO C C 13 176.634 0.300 . 1 . . . . 61 PRO C . 10298 1 671 . 1 1 61 61 PRO CA C 13 63.150 0.300 . 1 . . . . 61 PRO CA . 10298 1 672 . 1 1 61 61 PRO CB C 13 32.103 0.300 . 1 . . . . 61 PRO CB . 10298 1 673 . 1 1 61 61 PRO CD C 13 50.612 0.300 . 1 . . . . 61 PRO CD . 10298 1 674 . 1 1 61 61 PRO CG C 13 27.301 0.300 . 1 . . . . 61 PRO CG . 10298 1 675 . 1 1 62 62 ALA H H 1 8.445 0.030 . 1 . . . . 62 ALA H . 10298 1 676 . 1 1 62 62 ALA HA H 1 4.280 0.030 . 1 . . . . 62 ALA HA . 10298 1 677 . 1 1 62 62 ALA HB1 H 1 1.387 0.030 . 1 . . . . 62 ALA HB . 10298 1 678 . 1 1 62 62 ALA HB2 H 1 1.387 0.030 . 1 . . . . 62 ALA HB . 10298 1 679 . 1 1 62 62 ALA HB3 H 1 1.387 0.030 . 1 . . . . 62 ALA HB . 10298 1 680 . 1 1 62 62 ALA C C 13 177.871 0.300 . 1 . . . . 62 ALA C . 10298 1 681 . 1 1 62 62 ALA CA C 13 52.522 0.300 . 1 . . . . 62 ALA CA . 10298 1 682 . 1 1 62 62 ALA CB C 13 19.309 0.300 . 1 . . . . 62 ALA CB . 10298 1 683 . 1 1 62 62 ALA N N 15 124.460 0.300 . 1 . . . . 62 ALA N . 10298 1 684 . 1 1 63 63 GLU H H 1 8.410 0.030 . 1 . . . . 63 GLU H . 10298 1 685 . 1 1 63 63 GLU HA H 1 4.287 0.030 . 1 . . . . 63 GLU HA . 10298 1 686 . 1 1 63 63 GLU HB2 H 1 2.020 0.030 . 2 . . . . 63 GLU HB2 . 10298 1 687 . 1 1 63 63 GLU HB3 H 1 1.939 0.030 . 2 . . . . 63 GLU HB3 . 10298 1 688 . 1 1 63 63 GLU HG2 H 1 2.237 0.030 . 2 . . . . 63 GLU HG2 . 10298 1 689 . 1 1 63 63 GLU C C 13 176.521 0.300 . 1 . . . . 63 GLU C . 10298 1 690 . 1 1 63 63 GLU CA C 13 56.478 0.300 . 1 . . . . 63 GLU CA . 10298 1 691 . 1 1 63 63 GLU CB C 13 30.371 0.300 . 1 . . . . 63 GLU CB . 10298 1 692 . 1 1 63 63 GLU CG C 13 36.256 0.300 . 1 . . . . 63 GLU CG . 10298 1 693 . 1 1 63 63 GLU N N 15 120.216 0.300 . 1 . . . . 63 GLU N . 10298 1 694 . 1 1 64 64 VAL H H 1 8.221 0.030 . 1 . . . . 64 VAL H . 10298 1 695 . 1 1 64 64 VAL HA H 1 4.177 0.030 . 1 . . . . 64 VAL HA . 10298 1 696 . 1 1 64 64 VAL HB H 1 2.098 0.030 . 1 . . . . 64 VAL HB . 10298 1 697 . 1 1 64 64 VAL HG11 H 1 0.928 0.030 . 1 . . . . 64 VAL HG1 . 10298 1 698 . 1 1 64 64 VAL HG12 H 1 0.928 0.030 . 1 . . . . 64 VAL HG1 . 10298 1 699 . 1 1 64 64 VAL HG13 H 1 0.928 0.030 . 1 . . . . 64 VAL HG1 . 10298 1 700 . 1 1 64 64 VAL HG21 H 1 0.933 0.030 . 1 . . . . 64 VAL HG2 . 10298 1 701 . 1 1 64 64 VAL HG22 H 1 0.933 0.030 . 1 . . . . 64 VAL HG2 . 10298 1 702 . 1 1 64 64 VAL HG23 H 1 0.933 0.030 . 1 . . . . 64 VAL HG2 . 10298 1 703 . 1 1 64 64 VAL C C 13 176.179 0.300 . 1 . . . . 64 VAL C . 10298 1 704 . 1 1 64 64 VAL CA C 13 62.212 0.300 . 1 . . . . 64 VAL CA . 10298 1 705 . 1 1 64 64 VAL CB C 13 32.875 0.300 . 1 . . . . 64 VAL CB . 10298 1 706 . 1 1 64 64 VAL CG1 C 13 21.163 0.300 . 2 . . . . 64 VAL CG1 . 10298 1 707 . 1 1 64 64 VAL CG2 C 13 20.372 0.300 . 2 . . . . 64 VAL CG2 . 10298 1 708 . 1 1 64 64 VAL N N 15 121.436 0.300 . 1 . . . . 64 VAL N . 10298 1 709 . 1 1 65 65 SER H H 1 8.421 0.030 . 1 . . . . 65 SER H . 10298 1 710 . 1 1 65 65 SER HA H 1 4.500 0.030 . 1 . . . . 65 SER HA . 10298 1 711 . 1 1 65 65 SER HB2 H 1 3.883 0.030 . 1 . . . . 65 SER HB2 . 10298 1 712 . 1 1 65 65 SER HB3 H 1 3.883 0.030 . 1 . . . . 65 SER HB3 . 10298 1 713 . 1 1 65 65 SER C C 13 174.560 0.300 . 1 . . . . 65 SER C . 10298 1 714 . 1 1 65 65 SER CA C 13 58.411 0.300 . 1 . . . . 65 SER CA . 10298 1 715 . 1 1 65 65 SER CB C 13 63.999 0.300 . 1 . . . . 65 SER CB . 10298 1 716 . 1 1 65 65 SER N N 15 119.752 0.300 . 1 . . . . 65 SER N . 10298 1 717 . 1 1 66 66 GLY H H 1 8.268 0.030 . 1 . . . . 66 GLY H . 10298 1 718 . 1 1 66 66 GLY HA2 H 1 4.065 0.030 . 2 . . . . 66 GLY HA2 . 10298 1 719 . 1 1 66 66 GLY HA3 H 1 4.191 0.030 . 2 . . . . 66 GLY HA3 . 10298 1 720 . 1 1 66 66 GLY C C 13 171.744 0.300 . 1 . . . . 66 GLY C . 10298 1 721 . 1 1 66 66 GLY CA C 13 44.679 0.300 . 1 . . . . 66 GLY CA . 10298 1 722 . 1 1 66 66 GLY N N 15 110.950 0.300 . 1 . . . . 66 GLY N . 10298 1 723 . 1 1 67 67 PRO HA H 1 4.481 0.030 . 1 . . . . 67 PRO HA . 10298 1 724 . 1 1 67 67 PRO HB2 H 1 2.294 0.030 . 2 . . . . 67 PRO HB2 . 10298 1 725 . 1 1 67 67 PRO HB3 H 1 1.971 0.030 . 2 . . . . 67 PRO HB3 . 10298 1 726 . 1 1 67 67 PRO HD2 H 1 3.630 0.030 . 2 . . . . 67 PRO HD2 . 10298 1 727 . 1 1 67 67 PRO HG2 H 1 2.051 0.030 . 2 . . . . 67 PRO HG2 . 10298 1 728 . 1 1 67 67 PRO C C 13 177.427 0.300 . 1 . . . . 67 PRO C . 10298 1 729 . 1 1 67 67 PRO CA C 13 63.264 0.300 . 1 . . . . 67 PRO CA . 10298 1 730 . 1 1 67 67 PRO CB C 13 32.200 0.300 . 1 . . . . 67 PRO CB . 10298 1 731 . 1 1 67 67 PRO CD C 13 49.811 0.300 . 1 . . . . 67 PRO CD . 10298 1 732 . 1 1 67 67 PRO CG C 13 27.144 0.300 . 1 . . . . 67 PRO CG . 10298 1 733 . 1 1 68 68 SER H H 1 8.543 0.030 . 1 . . . . 68 SER H . 10298 1 734 . 1 1 68 68 SER HA H 1 4.559 0.030 . 1 . . . . 68 SER HA . 10298 1 735 . 1 1 68 68 SER HB2 H 1 3.896 0.030 . 1 . . . . 68 SER HB2 . 10298 1 736 . 1 1 68 68 SER HB3 H 1 3.896 0.030 . 1 . . . . 68 SER HB3 . 10298 1 737 . 1 1 68 68 SER C C 13 174.726 0.300 . 1 . . . . 68 SER C . 10298 1 738 . 1 1 68 68 SER CA C 13 58.368 0.300 . 1 . . . . 68 SER CA . 10298 1 739 . 1 1 68 68 SER CB C 13 63.934 0.300 . 1 . . . . 68 SER CB . 10298 1 740 . 1 1 68 68 SER N N 15 116.507 0.300 . 1 . . . . 68 SER N . 10298 1 741 . 1 1 69 69 SER H H 1 8.349 0.030 . 1 . . . . 69 SER H . 10298 1 742 . 1 1 69 69 SER HA H 1 4.507 0.030 . 1 . . . . 69 SER HA . 10298 1 743 . 1 1 69 69 SER HB2 H 1 3.871 0.030 . 1 . . . . 69 SER HB2 . 10298 1 744 . 1 1 69 69 SER HB3 H 1 3.871 0.030 . 1 . . . . 69 SER HB3 . 10298 1 745 . 1 1 69 69 SER C C 13 173.960 0.300 . 1 . . . . 69 SER C . 10298 1 746 . 1 1 69 69 SER CA C 13 58.355 0.300 . 1 . . . . 69 SER CA . 10298 1 747 . 1 1 69 69 SER CB C 13 63.993 0.300 . 1 . . . . 69 SER CB . 10298 1 748 . 1 1 69 69 SER N N 15 117.971 0.300 . 1 . . . . 69 SER N . 10298 1 749 . 1 1 70 70 GLY H H 1 8.053 0.030 . 1 . . . . 70 GLY H . 10298 1 750 . 1 1 70 70 GLY C C 13 179.028 0.300 . 1 . . . . 70 GLY C . 10298 1 751 . 1 1 70 70 GLY CA C 13 46.207 0.300 . 1 . . . . 70 GLY CA . 10298 1 752 . 1 1 70 70 GLY N N 15 116.905 0.300 . 1 . . . . 70 GLY N . 10298 1 stop_ save_