data_10082 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10082 _Entry.Title ; Solution structure of RRM domain in calcipressin 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-23 _Entry.Accession_date 2007-01-24 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _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 F. He . . . 10082 2 Y. Muto . . . 10082 3 M. Inoue . . . 10082 4 T. Kigawa . . . 10082 5 M. Shirouzu . . . 10082 6 T. Terada . . . 10082 7 S. Yokoyama . . . 10082 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' . 10082 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10082 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 448 10082 '15N chemical shifts' 91 10082 '1H chemical shifts' 670 10082 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 . . 2008-08-14 2007-01-23 original author . 10082 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WEY 'BMRB Entry Tracking System' 10082 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10082 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of RRM domain in calcipressin 1' _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 F. He . . . 10082 1 2 Y. Muto . . . 10082 1 3 M. Inoue . . . 10082 1 4 T. Kigawa . . . 10082 1 5 M. Shirouzu . . . 10082 1 6 T. Terada . . . 10082 1 7 S. Yokoyama . . . 10082 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10082 _Assembly.ID 1 _Assembly.Name 'calcipressin 1' _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 'all free' _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' 10082 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 'calcipressin 1' 1 $entity_1 . . yes native no no . . . 10082 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 1WEY . . . . . . 10082 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10082 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RRM domain' _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 ; GSSGSSGLIACVANDDVFSE SETRAKFESLFRTYDKDTTF QYFKSFKRVRINFSNPLSAA DARLRLHKTEFLGKEMKLYF AQTLHIGSSHLAPPNPDKSG PSSG ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 1WEY . "Solution Structure Of Rrm Domain In Calcipressin 1" . . . . . 100.00 104 100.00 100.00 9.04e-69 . . . . 10082 1 2 no DBJ BAC36729 . "unnamed protein product [Mus musculus]" . . . . . 89.42 198 98.92 98.92 4.93e-59 . . . . 10082 1 3 no GB AAF63486 . "myocyte-enriched calcineurin interactin protein 1 splice variant 4 [Mus musculus]" . . . . . 89.42 198 98.92 98.92 4.77e-59 . . . . 10082 1 4 no GB AAF72701 . "calcineurin inhibitor [Mus musculus]" . . . . . 89.42 198 98.92 98.92 3.72e-59 . . . . 10082 1 5 no GB AAH13551 . "Regulator of calcineurin 1 [Mus musculus]" . . . . . 89.42 198 98.92 98.92 4.93e-59 . . . . 10082 1 6 no GB EDL03783 . "Down syndrome critical region homolog 1 (human), isoform CRA_c [Mus musculus]" . . . . . 89.42 198 98.92 98.92 4.93e-59 . . . . 10082 1 7 no REF NP_062339 . "calcipressin-1 isoform 2 [Mus musculus]" . . . . . 89.42 198 98.92 98.92 4.93e-59 . . . . 10082 1 8 no REF XP_012971691 . "PREDICTED: calcipressin-1 isoform X1 [Mesocricetus auratus]" . . . . . 71.15 213 97.30 98.65 1.27e-43 . . . . 10082 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RRM domain' . 10082 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 . 10082 1 2 . SER . 10082 1 3 . SER . 10082 1 4 . GLY . 10082 1 5 . SER . 10082 1 6 . SER . 10082 1 7 . GLY . 10082 1 8 . LEU . 10082 1 9 . ILE . 10082 1 10 . ALA . 10082 1 11 . CYS . 10082 1 12 . VAL . 10082 1 13 . ALA . 10082 1 14 . ASN . 10082 1 15 . ASP . 10082 1 16 . ASP . 10082 1 17 . VAL . 10082 1 18 . PHE . 10082 1 19 . SER . 10082 1 20 . GLU . 10082 1 21 . SER . 10082 1 22 . GLU . 10082 1 23 . THR . 10082 1 24 . ARG . 10082 1 25 . ALA . 10082 1 26 . LYS . 10082 1 27 . PHE . 10082 1 28 . GLU . 10082 1 29 . SER . 10082 1 30 . LEU . 10082 1 31 . PHE . 10082 1 32 . ARG . 10082 1 33 . THR . 10082 1 34 . TYR . 10082 1 35 . ASP . 10082 1 36 . LYS . 10082 1 37 . ASP . 10082 1 38 . THR . 10082 1 39 . THR . 10082 1 40 . PHE . 10082 1 41 . GLN . 10082 1 42 . TYR . 10082 1 43 . PHE . 10082 1 44 . LYS . 10082 1 45 . SER . 10082 1 46 . PHE . 10082 1 47 . LYS . 10082 1 48 . ARG . 10082 1 49 . VAL . 10082 1 50 . ARG . 10082 1 51 . ILE . 10082 1 52 . ASN . 10082 1 53 . PHE . 10082 1 54 . SER . 10082 1 55 . ASN . 10082 1 56 . PRO . 10082 1 57 . LEU . 10082 1 58 . SER . 10082 1 59 . ALA . 10082 1 60 . ALA . 10082 1 61 . ASP . 10082 1 62 . ALA . 10082 1 63 . ARG . 10082 1 64 . LEU . 10082 1 65 . ARG . 10082 1 66 . LEU . 10082 1 67 . HIS . 10082 1 68 . LYS . 10082 1 69 . THR . 10082 1 70 . GLU . 10082 1 71 . PHE . 10082 1 72 . LEU . 10082 1 73 . GLY . 10082 1 74 . LYS . 10082 1 75 . GLU . 10082 1 76 . MET . 10082 1 77 . LYS . 10082 1 78 . LEU . 10082 1 79 . TYR . 10082 1 80 . PHE . 10082 1 81 . ALA . 10082 1 82 . GLN . 10082 1 83 . THR . 10082 1 84 . LEU . 10082 1 85 . HIS . 10082 1 86 . ILE . 10082 1 87 . GLY . 10082 1 88 . SER . 10082 1 89 . SER . 10082 1 90 . HIS . 10082 1 91 . LEU . 10082 1 92 . ALA . 10082 1 93 . PRO . 10082 1 94 . PRO . 10082 1 95 . ASN . 10082 1 96 . PRO . 10082 1 97 . ASP . 10082 1 98 . LYS . 10082 1 99 . SER . 10082 1 100 . GLY . 10082 1 101 . PRO . 10082 1 102 . SER . 10082 1 103 . SER . 10082 1 104 . GLY . 10082 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 10082 1 . SER 2 2 10082 1 . SER 3 3 10082 1 . GLY 4 4 10082 1 . SER 5 5 10082 1 . SER 6 6 10082 1 . GLY 7 7 10082 1 . LEU 8 8 10082 1 . ILE 9 9 10082 1 . ALA 10 10 10082 1 . CYS 11 11 10082 1 . VAL 12 12 10082 1 . ALA 13 13 10082 1 . ASN 14 14 10082 1 . ASP 15 15 10082 1 . ASP 16 16 10082 1 . VAL 17 17 10082 1 . PHE 18 18 10082 1 . SER 19 19 10082 1 . GLU 20 20 10082 1 . SER 21 21 10082 1 . GLU 22 22 10082 1 . THR 23 23 10082 1 . ARG 24 24 10082 1 . ALA 25 25 10082 1 . LYS 26 26 10082 1 . PHE 27 27 10082 1 . GLU 28 28 10082 1 . SER 29 29 10082 1 . LEU 30 30 10082 1 . PHE 31 31 10082 1 . ARG 32 32 10082 1 . THR 33 33 10082 1 . TYR 34 34 10082 1 . ASP 35 35 10082 1 . LYS 36 36 10082 1 . ASP 37 37 10082 1 . THR 38 38 10082 1 . THR 39 39 10082 1 . PHE 40 40 10082 1 . GLN 41 41 10082 1 . TYR 42 42 10082 1 . PHE 43 43 10082 1 . LYS 44 44 10082 1 . SER 45 45 10082 1 . PHE 46 46 10082 1 . LYS 47 47 10082 1 . ARG 48 48 10082 1 . VAL 49 49 10082 1 . ARG 50 50 10082 1 . ILE 51 51 10082 1 . ASN 52 52 10082 1 . PHE 53 53 10082 1 . SER 54 54 10082 1 . ASN 55 55 10082 1 . PRO 56 56 10082 1 . LEU 57 57 10082 1 . SER 58 58 10082 1 . ALA 59 59 10082 1 . ALA 60 60 10082 1 . ASP 61 61 10082 1 . ALA 62 62 10082 1 . ARG 63 63 10082 1 . LEU 64 64 10082 1 . ARG 65 65 10082 1 . LEU 66 66 10082 1 . HIS 67 67 10082 1 . LYS 68 68 10082 1 . THR 69 69 10082 1 . GLU 70 70 10082 1 . PHE 71 71 10082 1 . LEU 72 72 10082 1 . GLY 73 73 10082 1 . LYS 74 74 10082 1 . GLU 75 75 10082 1 . MET 76 76 10082 1 . LYS 77 77 10082 1 . LEU 78 78 10082 1 . TYR 79 79 10082 1 . PHE 80 80 10082 1 . ALA 81 81 10082 1 . GLN 82 82 10082 1 . THR 83 83 10082 1 . LEU 84 84 10082 1 . HIS 85 85 10082 1 . ILE 86 86 10082 1 . GLY 87 87 10082 1 . SER 88 88 10082 1 . SER 89 89 10082 1 . HIS 90 90 10082 1 . LEU 91 91 10082 1 . ALA 92 92 10082 1 . PRO 93 93 10082 1 . PRO 94 94 10082 1 . ASN 95 95 10082 1 . PRO 96 96 10082 1 . ASP 97 97 10082 1 . LYS 98 98 10082 1 . SER 99 99 10082 1 . GLY 100 100 10082 1 . PRO 101 101 10082 1 . SER 102 102 10082 1 . SER 103 103 10082 1 . GLY 104 104 10082 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 10082 _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 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10082 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 10082 _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 . . P040113-35 . . . . . . 10082 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10082 _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 'RRM domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 10082 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10082 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10082 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10082 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10082 1 6 H2O . . . . . . solvent 90 . . % . . . . 10082 1 7 D2O . . . . . . solvent 10 . . % . . . . 10082 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 10082 _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 10082 1 pH 7.0 0.05 pH 10082 1 pressure 1 0.001 atm 10082 1 temperature 298 0.1 K 10082 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10082 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10082 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10082 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10082 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10082 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10082 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10082 _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.' . . 10082 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10082 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10082 _Software.ID 4 _Software.Name Kujira _Software.Version 0.863 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10082 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10082 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10082 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.29 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10082 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10082 5 'structure solution' 10082 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 10082 _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 10082 _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 . . . . . . . . . . . . . . . . 10082 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10082 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 10082 _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 10082 _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 10082 _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 . . . . . . . . . 10082 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10082 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10082 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 10082 _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 10082 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10082 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER C C 13 173.895 0.300 . 1 . . . . 3 SER C . 10082 1 2 . 1 1 3 3 SER CA C 13 58.635 0.300 . 1 . . . . 3 SER CA . 10082 1 3 . 1 1 3 3 SER CB C 13 64.283 0.300 . 1 . . . . 3 SER CB . 10082 1 4 . 1 1 4 4 GLY H H 1 8.033 0.030 . 1 . . . . 4 GLY H . 10082 1 5 . 1 1 4 4 GLY C C 13 178.993 0.300 . 1 . . . . 4 GLY C . 10082 1 6 . 1 1 4 4 GLY CA C 13 46.174 0.300 . 1 . . . . 4 GLY CA . 10082 1 7 . 1 1 4 4 GLY N N 15 116.705 0.300 . 1 . . . . 4 GLY N . 10082 1 8 . 1 1 6 6 SER HA H 1 4.491 0.030 . 1 . . . . 6 SER HA . 10082 1 9 . 1 1 6 6 SER HB2 H 1 3.829 0.030 . 2 . . . . 6 SER HB2 . 10082 1 10 . 1 1 6 6 SER HB3 H 1 3.669 0.030 . 2 . . . . 6 SER HB3 . 10082 1 11 . 1 1 6 6 SER C C 13 172.682 0.300 . 1 . . . . 6 SER C . 10082 1 12 . 1 1 6 6 SER CA C 13 58.055 0.300 . 1 . . . . 6 SER CA . 10082 1 13 . 1 1 6 6 SER CB C 13 63.982 0.300 . 1 . . . . 6 SER CB . 10082 1 14 . 1 1 7 7 GLY H H 1 8.290 0.030 . 1 . . . . 7 GLY H . 10082 1 15 . 1 1 7 7 GLY HA2 H 1 5.518 0.030 . 2 . . . . 7 GLY HA2 . 10082 1 16 . 1 1 7 7 GLY HA3 H 1 3.614 0.030 . 2 . . . . 7 GLY HA3 . 10082 1 17 . 1 1 7 7 GLY C C 13 173.108 0.300 . 1 . . . . 7 GLY C . 10082 1 18 . 1 1 7 7 GLY CA C 13 45.120 0.300 . 1 . . . . 7 GLY CA . 10082 1 19 . 1 1 7 7 GLY N N 15 108.944 0.300 . 1 . . . . 7 GLY N . 10082 1 20 . 1 1 8 8 LEU H H 1 9.358 0.030 . 1 . . . . 8 LEU H . 10082 1 21 . 1 1 8 8 LEU HA H 1 5.298 0.030 . 1 . . . . 8 LEU HA . 10082 1 22 . 1 1 8 8 LEU HB2 H 1 1.642 0.030 . 2 . . . . 8 LEU HB2 . 10082 1 23 . 1 1 8 8 LEU HB3 H 1 1.269 0.030 . 2 . . . . 8 LEU HB3 . 10082 1 24 . 1 1 8 8 LEU HG H 1 1.618 0.030 . 1 . . . . 8 LEU HG . 10082 1 25 . 1 1 8 8 LEU HD11 H 1 0.838 0.030 . 1 . . . . 8 LEU HD1 . 10082 1 26 . 1 1 8 8 LEU HD12 H 1 0.838 0.030 . 1 . . . . 8 LEU HD1 . 10082 1 27 . 1 1 8 8 LEU HD13 H 1 0.838 0.030 . 1 . . . . 8 LEU HD1 . 10082 1 28 . 1 1 8 8 LEU HD21 H 1 0.433 0.030 . 1 . . . . 8 LEU HD2 . 10082 1 29 . 1 1 8 8 LEU HD22 H 1 0.433 0.030 . 1 . . . . 8 LEU HD2 . 10082 1 30 . 1 1 8 8 LEU HD23 H 1 0.433 0.030 . 1 . . . . 8 LEU HD2 . 10082 1 31 . 1 1 8 8 LEU C C 13 175.639 0.300 . 1 . . . . 8 LEU C . 10082 1 32 . 1 1 8 8 LEU CA C 13 52.658 0.300 . 1 . . . . 8 LEU CA . 10082 1 33 . 1 1 8 8 LEU CB C 13 46.636 0.300 . 1 . . . . 8 LEU CB . 10082 1 34 . 1 1 8 8 LEU CG C 13 27.040 0.300 . 1 . . . . 8 LEU CG . 10082 1 35 . 1 1 8 8 LEU CD1 C 13 26.565 0.300 . 2 . . . . 8 LEU CD1 . 10082 1 36 . 1 1 8 8 LEU CD2 C 13 23.358 0.300 . 2 . . . . 8 LEU CD2 . 10082 1 37 . 1 1 8 8 LEU N N 15 120.032 0.300 . 1 . . . . 8 LEU N . 10082 1 38 . 1 1 9 9 ILE H H 1 9.440 0.030 . 1 . . . . 9 ILE H . 10082 1 39 . 1 1 9 9 ILE HA H 1 4.915 0.030 . 1 . . . . 9 ILE HA . 10082 1 40 . 1 1 9 9 ILE HB H 1 1.692 0.030 . 1 . . . . 9 ILE HB . 10082 1 41 . 1 1 9 9 ILE HG12 H 1 1.169 0.030 . 2 . . . . 9 ILE HG12 . 10082 1 42 . 1 1 9 9 ILE HG13 H 1 1.400 0.030 . 2 . . . . 9 ILE HG13 . 10082 1 43 . 1 1 9 9 ILE HG21 H 1 0.841 0.030 . 1 . . . . 9 ILE HG2 . 10082 1 44 . 1 1 9 9 ILE HG22 H 1 0.841 0.030 . 1 . . . . 9 ILE HG2 . 10082 1 45 . 1 1 9 9 ILE HG23 H 1 0.841 0.030 . 1 . . . . 9 ILE HG2 . 10082 1 46 . 1 1 9 9 ILE HD11 H 1 0.775 0.030 . 1 . . . . 9 ILE HD1 . 10082 1 47 . 1 1 9 9 ILE HD12 H 1 0.775 0.030 . 1 . . . . 9 ILE HD1 . 10082 1 48 . 1 1 9 9 ILE HD13 H 1 0.775 0.030 . 1 . . . . 9 ILE HD1 . 10082 1 49 . 1 1 9 9 ILE C C 13 174.613 0.300 . 1 . . . . 9 ILE C . 10082 1 50 . 1 1 9 9 ILE CA C 13 58.586 0.300 . 1 . . . . 9 ILE CA . 10082 1 51 . 1 1 9 9 ILE CB C 13 39.107 0.300 . 1 . . . . 9 ILE CB . 10082 1 52 . 1 1 9 9 ILE CG1 C 13 27.248 0.300 . 1 . . . . 9 ILE CG1 . 10082 1 53 . 1 1 9 9 ILE CG2 C 13 17.864 0.300 . 1 . . . . 9 ILE CG2 . 10082 1 54 . 1 1 9 9 ILE CD1 C 13 11.422 0.300 . 1 . . . . 9 ILE CD1 . 10082 1 55 . 1 1 9 9 ILE N N 15 121.011 0.300 . 1 . . . . 9 ILE N . 10082 1 56 . 1 1 10 10 ALA H H 1 9.718 0.030 . 1 . . . . 10 ALA H . 10082 1 57 . 1 1 10 10 ALA HA H 1 5.603 0.030 . 1 . . . . 10 ALA HA . 10082 1 58 . 1 1 10 10 ALA HB1 H 1 1.421 0.030 . 1 . . . . 10 ALA HB . 10082 1 59 . 1 1 10 10 ALA HB2 H 1 1.421 0.030 . 1 . . . . 10 ALA HB . 10082 1 60 . 1 1 10 10 ALA HB3 H 1 1.421 0.030 . 1 . . . . 10 ALA HB . 10082 1 61 . 1 1 10 10 ALA C C 13 177.032 0.300 . 1 . . . . 10 ALA C . 10082 1 62 . 1 1 10 10 ALA CA C 13 49.797 0.300 . 1 . . . . 10 ALA CA . 10082 1 63 . 1 1 10 10 ALA CB C 13 21.884 0.300 . 1 . . . . 10 ALA CB . 10082 1 64 . 1 1 10 10 ALA N N 15 128.142 0.300 . 1 . . . . 10 ALA N . 10082 1 65 . 1 1 11 11 CYS H H 1 9.341 0.030 . 1 . . . . 11 CYS H . 10082 1 66 . 1 1 11 11 CYS HA H 1 5.085 0.030 . 1 . . . . 11 CYS HA . 10082 1 67 . 1 1 11 11 CYS HB2 H 1 3.294 0.030 . 2 . . . . 11 CYS HB2 . 10082 1 68 . 1 1 11 11 CYS HB3 H 1 3.170 0.030 . 2 . . . . 11 CYS HB3 . 10082 1 69 . 1 1 11 11 CYS C C 13 174.900 0.300 . 1 . . . . 11 CYS C . 10082 1 70 . 1 1 11 11 CYS CA C 13 58.540 0.300 . 1 . . . . 11 CYS CA . 10082 1 71 . 1 1 11 11 CYS CB C 13 27.964 0.300 . 1 . . . . 11 CYS CB . 10082 1 72 . 1 1 11 11 CYS N N 15 123.258 0.300 . 1 . . . . 11 CYS N . 10082 1 73 . 1 1 12 12 VAL H H 1 7.881 0.030 . 1 . . . . 12 VAL H . 10082 1 74 . 1 1 12 12 VAL HA H 1 4.754 0.030 . 1 . . . . 12 VAL HA . 10082 1 75 . 1 1 12 12 VAL HB H 1 2.040 0.030 . 1 . . . . 12 VAL HB . 10082 1 76 . 1 1 12 12 VAL HG11 H 1 0.908 0.030 . 1 . . . . 12 VAL HG1 . 10082 1 77 . 1 1 12 12 VAL HG12 H 1 0.908 0.030 . 1 . . . . 12 VAL HG1 . 10082 1 78 . 1 1 12 12 VAL HG13 H 1 0.908 0.030 . 1 . . . . 12 VAL HG1 . 10082 1 79 . 1 1 12 12 VAL HG21 H 1 0.890 0.030 . 1 . . . . 12 VAL HG2 . 10082 1 80 . 1 1 12 12 VAL HG22 H 1 0.890 0.030 . 1 . . . . 12 VAL HG2 . 10082 1 81 . 1 1 12 12 VAL HG23 H 1 0.890 0.030 . 1 . . . . 12 VAL HG2 . 10082 1 82 . 1 1 12 12 VAL C C 13 173.887 0.300 . 1 . . . . 12 VAL C . 10082 1 83 . 1 1 12 12 VAL CA C 13 60.547 0.300 . 1 . . . . 12 VAL CA . 10082 1 84 . 1 1 12 12 VAL CB C 13 35.069 0.300 . 1 . . . . 12 VAL CB . 10082 1 85 . 1 1 12 12 VAL CG1 C 13 21.323 0.300 . 2 . . . . 12 VAL CG1 . 10082 1 86 . 1 1 12 12 VAL CG2 C 13 21.586 0.300 . 2 . . . . 12 VAL CG2 . 10082 1 87 . 1 1 12 12 VAL N N 15 123.915 0.300 . 1 . . . . 12 VAL N . 10082 1 88 . 1 1 13 13 ALA H H 1 9.225 0.030 . 1 . . . . 13 ALA H . 10082 1 89 . 1 1 13 13 ALA HA H 1 4.521 0.030 . 1 . . . . 13 ALA HA . 10082 1 90 . 1 1 13 13 ALA HB1 H 1 1.515 0.030 . 1 . . . . 13 ALA HB . 10082 1 91 . 1 1 13 13 ALA HB2 H 1 1.515 0.030 . 1 . . . . 13 ALA HB . 10082 1 92 . 1 1 13 13 ALA HB3 H 1 1.515 0.030 . 1 . . . . 13 ALA HB . 10082 1 93 . 1 1 13 13 ALA C C 13 177.685 0.300 . 1 . . . . 13 ALA C . 10082 1 94 . 1 1 13 13 ALA CA C 13 52.245 0.300 . 1 . . . . 13 ALA CA . 10082 1 95 . 1 1 13 13 ALA CB C 13 19.606 0.300 . 1 . . . . 13 ALA CB . 10082 1 96 . 1 1 13 13 ALA N N 15 127.024 0.300 . 1 . . . . 13 ALA N . 10082 1 97 . 1 1 14 14 ASN H H 1 7.780 0.030 . 1 . . . . 14 ASN H . 10082 1 98 . 1 1 14 14 ASN HA H 1 4.674 0.030 . 1 . . . . 14 ASN HA . 10082 1 99 . 1 1 14 14 ASN HB2 H 1 2.766 0.030 . 1 . . . . 14 ASN HB2 . 10082 1 100 . 1 1 14 14 ASN HB3 H 1 2.766 0.030 . 1 . . . . 14 ASN HB3 . 10082 1 101 . 1 1 14 14 ASN HD21 H 1 7.070 0.030 . 2 . . . . 14 ASN HD21 . 10082 1 102 . 1 1 14 14 ASN HD22 H 1 7.862 0.030 . 2 . . . . 14 ASN HD22 . 10082 1 103 . 1 1 14 14 ASN C C 13 174.587 0.300 . 1 . . . . 14 ASN C . 10082 1 104 . 1 1 14 14 ASN CA C 13 53.583 0.300 . 1 . . . . 14 ASN CA . 10082 1 105 . 1 1 14 14 ASN CB C 13 38.383 0.300 . 1 . . . . 14 ASN CB . 10082 1 106 . 1 1 14 14 ASN N N 15 116.247 0.300 . 1 . . . . 14 ASN N . 10082 1 107 . 1 1 14 14 ASN ND2 N 15 113.468 0.300 . 1 . . . . 14 ASN ND2 . 10082 1 108 . 1 1 15 15 ASP H H 1 8.828 0.030 . 1 . . . . 15 ASP H . 10082 1 109 . 1 1 15 15 ASP HA H 1 4.598 0.030 . 1 . . . . 15 ASP HA . 10082 1 110 . 1 1 15 15 ASP HB2 H 1 2.743 0.030 . 2 . . . . 15 ASP HB2 . 10082 1 111 . 1 1 15 15 ASP HB3 H 1 2.623 0.030 . 2 . . . . 15 ASP HB3 . 10082 1 112 . 1 1 15 15 ASP C C 13 178.676 0.300 . 1 . . . . 15 ASP C . 10082 1 113 . 1 1 15 15 ASP CA C 13 57.994 0.300 . 1 . . . . 15 ASP CA . 10082 1 114 . 1 1 15 15 ASP CB C 13 41.298 0.300 . 1 . . . . 15 ASP CB . 10082 1 115 . 1 1 15 15 ASP N N 15 125.920 0.300 . 1 . . . . 15 ASP N . 10082 1 116 . 1 1 16 16 ASP H H 1 8.870 0.030 . 1 . . . . 16 ASP H . 10082 1 117 . 1 1 16 16 ASP HA H 1 4.514 0.030 . 1 . . . . 16 ASP HA . 10082 1 118 . 1 1 16 16 ASP HB2 H 1 2.709 0.030 . 1 . . . . 16 ASP HB2 . 10082 1 119 . 1 1 16 16 ASP HB3 H 1 2.709 0.030 . 1 . . . . 16 ASP HB3 . 10082 1 120 . 1 1 16 16 ASP C C 13 177.978 0.300 . 1 . . . . 16 ASP C . 10082 1 121 . 1 1 16 16 ASP CA C 13 56.374 0.300 . 1 . . . . 16 ASP CA . 10082 1 122 . 1 1 16 16 ASP CB C 13 39.324 0.300 . 1 . . . . 16 ASP CB . 10082 1 123 . 1 1 16 16 ASP N N 15 117.770 0.300 . 1 . . . . 16 ASP N . 10082 1 124 . 1 1 17 17 VAL H H 1 7.469 0.030 . 1 . . . . 17 VAL H . 10082 1 125 . 1 1 17 17 VAL HA H 1 3.150 0.030 . 1 . . . . 17 VAL HA . 10082 1 126 . 1 1 17 17 VAL HB H 1 1.541 0.030 . 1 . . . . 17 VAL HB . 10082 1 127 . 1 1 17 17 VAL HG11 H 1 0.504 0.030 . 1 . . . . 17 VAL HG1 . 10082 1 128 . 1 1 17 17 VAL HG12 H 1 0.504 0.030 . 1 . . . . 17 VAL HG1 . 10082 1 129 . 1 1 17 17 VAL HG13 H 1 0.504 0.030 . 1 . . . . 17 VAL HG1 . 10082 1 130 . 1 1 17 17 VAL HG21 H 1 -0.130 0.030 . 1 . . . . 17 VAL HG2 . 10082 1 131 . 1 1 17 17 VAL HG22 H 1 -0.130 0.030 . 1 . . . . 17 VAL HG2 . 10082 1 132 . 1 1 17 17 VAL HG23 H 1 -0.130 0.030 . 1 . . . . 17 VAL HG2 . 10082 1 133 . 1 1 17 17 VAL C C 13 174.060 0.300 . 1 . . . . 17 VAL C . 10082 1 134 . 1 1 17 17 VAL CA C 13 65.441 0.300 . 1 . . . . 17 VAL CA . 10082 1 135 . 1 1 17 17 VAL CB C 13 31.359 0.300 . 1 . . . . 17 VAL CB . 10082 1 136 . 1 1 17 17 VAL CG1 C 13 24.104 0.300 . 2 . . . . 17 VAL CG1 . 10082 1 137 . 1 1 17 17 VAL CG2 C 13 20.811 0.300 . 2 . . . . 17 VAL CG2 . 10082 1 138 . 1 1 17 17 VAL N N 15 118.207 0.300 . 1 . . . . 17 VAL N . 10082 1 139 . 1 1 18 18 PHE H H 1 7.194 0.030 . 1 . . . . 18 PHE H . 10082 1 140 . 1 1 18 18 PHE HA H 1 3.823 0.030 . 1 . . . . 18 PHE HA . 10082 1 141 . 1 1 18 18 PHE HB2 H 1 3.341 0.030 . 2 . . . . 18 PHE HB2 . 10082 1 142 . 1 1 18 18 PHE HB3 H 1 3.008 0.030 . 2 . . . . 18 PHE HB3 . 10082 1 143 . 1 1 18 18 PHE HD1 H 1 7.420 0.030 . 1 . . . . 18 PHE HD1 . 10082 1 144 . 1 1 18 18 PHE HD2 H 1 7.420 0.030 . 1 . . . . 18 PHE HD2 . 10082 1 145 . 1 1 18 18 PHE HE1 H 1 7.355 0.030 . 1 . . . . 18 PHE HE1 . 10082 1 146 . 1 1 18 18 PHE HE2 H 1 7.355 0.030 . 1 . . . . 18 PHE HE2 . 10082 1 147 . 1 1 18 18 PHE HZ H 1 6.866 0.030 . 1 . . . . 18 PHE HZ . 10082 1 148 . 1 1 18 18 PHE C C 13 175.823 0.300 . 1 . . . . 18 PHE C . 10082 1 149 . 1 1 18 18 PHE CA C 13 59.461 0.300 . 1 . . . . 18 PHE CA . 10082 1 150 . 1 1 18 18 PHE CB C 13 38.122 0.300 . 1 . . . . 18 PHE CB . 10082 1 151 . 1 1 18 18 PHE CD1 C 13 131.951 0.300 . 1 . . . . 18 PHE CD1 . 10082 1 152 . 1 1 18 18 PHE CD2 C 13 131.951 0.300 . 1 . . . . 18 PHE CD2 . 10082 1 153 . 1 1 18 18 PHE CE1 C 13 131.735 0.300 . 1 . . . . 18 PHE CE1 . 10082 1 154 . 1 1 18 18 PHE CE2 C 13 131.735 0.300 . 1 . . . . 18 PHE CE2 . 10082 1 155 . 1 1 18 18 PHE CZ C 13 129.276 0.300 . 1 . . . . 18 PHE CZ . 10082 1 156 . 1 1 18 18 PHE N N 15 113.323 0.300 . 1 . . . . 18 PHE N . 10082 1 157 . 1 1 19 19 SER H H 1 7.394 0.030 . 1 . . . . 19 SER H . 10082 1 158 . 1 1 19 19 SER HA H 1 4.516 0.030 . 1 . . . . 19 SER HA . 10082 1 159 . 1 1 19 19 SER HB2 H 1 3.757 0.030 . 1 . . . . 19 SER HB2 . 10082 1 160 . 1 1 19 19 SER HB3 H 1 3.757 0.030 . 1 . . . . 19 SER HB3 . 10082 1 161 . 1 1 19 19 SER CA C 13 57.354 0.300 . 1 . . . . 19 SER CA . 10082 1 162 . 1 1 19 19 SER CB C 13 65.739 0.300 . 1 . . . . 19 SER CB . 10082 1 163 . 1 1 19 19 SER N N 15 114.426 0.300 . 1 . . . . 19 SER N . 10082 1 164 . 1 1 20 20 GLU H H 1 8.356 0.030 . 1 . . . . 20 GLU H . 10082 1 165 . 1 1 20 20 GLU HG2 H 1 2.237 0.030 . 1 . . . . 20 GLU HG2 . 10082 1 166 . 1 1 20 20 GLU HG3 H 1 2.237 0.030 . 1 . . . . 20 GLU HG3 . 10082 1 167 . 1 1 20 20 GLU C C 13 178.989 0.300 . 1 . . . . 20 GLU C . 10082 1 168 . 1 1 20 20 GLU CA C 13 59.439 0.300 . 1 . . . . 20 GLU CA . 10082 1 169 . 1 1 20 20 GLU CB C 13 29.068 0.300 . 1 . . . . 20 GLU CB . 10082 1 170 . 1 1 20 20 GLU CG C 13 36.076 0.300 . 1 . . . . 20 GLU CG . 10082 1 171 . 1 1 21 21 SER HA H 1 4.349 0.030 . 1 . . . . 21 SER HA . 10082 1 172 . 1 1 21 21 SER HB2 H 1 3.796 0.030 . 2 . . . . 21 SER HB2 . 10082 1 173 . 1 1 21 21 SER HB3 H 1 3.705 0.030 . 2 . . . . 21 SER HB3 . 10082 1 174 . 1 1 21 21 SER CA C 13 58.918 0.300 . 1 . . . . 21 SER CA . 10082 1 175 . 1 1 21 21 SER CB C 13 63.607 0.300 . 1 . . . . 21 SER CB . 10082 1 176 . 1 1 22 22 GLU HA H 1 4.201 0.030 . 1 . . . . 22 GLU HA . 10082 1 177 . 1 1 22 22 GLU HB2 H 1 2.119 0.030 . 2 . . . . 22 GLU HB2 . 10082 1 178 . 1 1 22 22 GLU HB3 H 1 2.051 0.030 . 2 . . . . 22 GLU HB3 . 10082 1 179 . 1 1 22 22 GLU HG2 H 1 2.375 0.030 . 2 . . . . 22 GLU HG2 . 10082 1 180 . 1 1 22 22 GLU HG3 H 1 2.292 0.030 . 2 . . . . 22 GLU HG3 . 10082 1 181 . 1 1 22 22 GLU C C 13 178.989 0.300 . 1 . . . . 22 GLU C . 10082 1 182 . 1 1 22 22 GLU CA C 13 59.263 0.300 . 1 . . . . 22 GLU CA . 10082 1 183 . 1 1 22 22 GLU CB C 13 29.229 0.300 . 1 . . . . 22 GLU CB . 10082 1 184 . 1 1 22 22 GLU CG C 13 36.471 0.300 . 1 . . . . 22 GLU CG . 10082 1 185 . 1 1 23 23 THR H H 1 7.768 0.030 . 1 . . . . 23 THR H . 10082 1 186 . 1 1 23 23 THR HA H 1 3.855 0.030 . 1 . . . . 23 THR HA . 10082 1 187 . 1 1 23 23 THR HB H 1 3.868 0.030 . 1 . . . . 23 THR HB . 10082 1 188 . 1 1 23 23 THR HG21 H 1 1.201 0.030 . 1 . . . . 23 THR HG2 . 10082 1 189 . 1 1 23 23 THR HG22 H 1 1.201 0.030 . 1 . . . . 23 THR HG2 . 10082 1 190 . 1 1 23 23 THR HG23 H 1 1.201 0.030 . 1 . . . . 23 THR HG2 . 10082 1 191 . 1 1 23 23 THR C C 13 175.884 0.300 . 1 . . . . 23 THR C . 10082 1 192 . 1 1 23 23 THR CA C 13 67.344 0.300 . 1 . . . . 23 THR CA . 10082 1 193 . 1 1 23 23 THR CB C 13 67.678 0.300 . 1 . . . . 23 THR CB . 10082 1 194 . 1 1 23 23 THR CG2 C 13 22.688 0.300 . 1 . . . . 23 THR CG2 . 10082 1 195 . 1 1 23 23 THR N N 15 117.040 0.300 . 1 . . . . 23 THR N . 10082 1 196 . 1 1 24 24 ARG H H 1 8.116 0.030 . 1 . . . . 24 ARG H . 10082 1 197 . 1 1 24 24 ARG HA H 1 3.804 0.030 . 1 . . . . 24 ARG HA . 10082 1 198 . 1 1 24 24 ARG HB2 H 1 2.146 0.030 . 2 . . . . 24 ARG HB2 . 10082 1 199 . 1 1 24 24 ARG HB3 H 1 1.836 0.030 . 2 . . . . 24 ARG HB3 . 10082 1 200 . 1 1 24 24 ARG HG2 H 1 1.602 0.030 . 2 . . . . 24 ARG HG2 . 10082 1 201 . 1 1 24 24 ARG HG3 H 1 1.383 0.030 . 2 . . . . 24 ARG HG3 . 10082 1 202 . 1 1 24 24 ARG HD2 H 1 2.878 0.030 . 2 . . . . 24 ARG HD2 . 10082 1 203 . 1 1 24 24 ARG HD3 H 1 2.701 0.030 . 2 . . . . 24 ARG HD3 . 10082 1 204 . 1 1 24 24 ARG C C 13 177.372 0.300 . 1 . . . . 24 ARG C . 10082 1 205 . 1 1 24 24 ARG CA C 13 60.787 0.300 . 1 . . . . 24 ARG CA . 10082 1 206 . 1 1 24 24 ARG CB C 13 29.558 0.300 . 1 . . . . 24 ARG CB . 10082 1 207 . 1 1 24 24 ARG CG C 13 26.885 0.300 . 1 . . . . 24 ARG CG . 10082 1 208 . 1 1 24 24 ARG CD C 13 43.790 0.300 . 1 . . . . 24 ARG CD . 10082 1 209 . 1 1 24 24 ARG N N 15 123.425 0.300 . 1 . . . . 24 ARG N . 10082 1 210 . 1 1 25 25 ALA H H 1 7.730 0.030 . 1 . . . . 25 ALA H . 10082 1 211 . 1 1 25 25 ALA HA H 1 4.097 0.030 . 1 . . . . 25 ALA HA . 10082 1 212 . 1 1 25 25 ALA HB1 H 1 1.533 0.030 . 1 . . . . 25 ALA HB . 10082 1 213 . 1 1 25 25 ALA HB2 H 1 1.533 0.030 . 1 . . . . 25 ALA HB . 10082 1 214 . 1 1 25 25 ALA HB3 H 1 1.533 0.030 . 1 . . . . 25 ALA HB . 10082 1 215 . 1 1 25 25 ALA C C 13 181.183 0.300 . 1 . . . . 25 ALA C . 10082 1 216 . 1 1 25 25 ALA CA C 13 55.493 0.300 . 1 . . . . 25 ALA CA . 10082 1 217 . 1 1 25 25 ALA CB C 13 17.633 0.300 . 1 . . . . 25 ALA CB . 10082 1 218 . 1 1 25 25 ALA N N 15 120.495 0.300 . 1 . . . . 25 ALA N . 10082 1 219 . 1 1 26 26 LYS H H 1 8.078 0.030 . 1 . . . . 26 LYS H . 10082 1 220 . 1 1 26 26 LYS HA H 1 4.105 0.030 . 1 . . . . 26 LYS HA . 10082 1 221 . 1 1 26 26 LYS HB2 H 1 2.253 0.030 . 2 . . . . 26 LYS HB2 . 10082 1 222 . 1 1 26 26 LYS HB3 H 1 2.188 0.030 . 2 . . . . 26 LYS HB3 . 10082 1 223 . 1 1 26 26 LYS HG2 H 1 1.808 0.030 . 2 . . . . 26 LYS HG2 . 10082 1 224 . 1 1 26 26 LYS HG3 H 1 1.600 0.030 . 2 . . . . 26 LYS HG3 . 10082 1 225 . 1 1 26 26 LYS HD2 H 1 1.761 0.030 . 2 . . . . 26 LYS HD2 . 10082 1 226 . 1 1 26 26 LYS HD3 H 1 1.682 0.030 . 2 . . . . 26 LYS HD3 . 10082 1 227 . 1 1 26 26 LYS HE2 H 1 2.961 0.030 . 1 . . . . 26 LYS HE2 . 10082 1 228 . 1 1 26 26 LYS HE3 H 1 2.961 0.030 . 1 . . . . 26 LYS HE3 . 10082 1 229 . 1 1 26 26 LYS C C 13 179.058 0.300 . 1 . . . . 26 LYS C . 10082 1 230 . 1 1 26 26 LYS CA C 13 59.655 0.300 . 1 . . . . 26 LYS CA . 10082 1 231 . 1 1 26 26 LYS CB C 13 32.781 0.300 . 1 . . . . 26 LYS CB . 10082 1 232 . 1 1 26 26 LYS CG C 13 25.699 0.300 . 1 . . . . 26 LYS CG . 10082 1 233 . 1 1 26 26 LYS CD C 13 29.772 0.300 . 1 . . . . 26 LYS CD . 10082 1 234 . 1 1 26 26 LYS CE C 13 42.276 0.300 . 1 . . . . 26 LYS CE . 10082 1 235 . 1 1 26 26 LYS N N 15 119.823 0.300 . 1 . . . . 26 LYS N . 10082 1 236 . 1 1 27 27 PHE H H 1 8.350 0.030 . 1 . . . . 27 PHE H . 10082 1 237 . 1 1 27 27 PHE HA H 1 3.699 0.030 . 1 . . . . 27 PHE HA . 10082 1 238 . 1 1 27 27 PHE HB2 H 1 3.305 0.030 . 2 . . . . 27 PHE HB2 . 10082 1 239 . 1 1 27 27 PHE HB3 H 1 2.894 0.030 . 2 . . . . 27 PHE HB3 . 10082 1 240 . 1 1 27 27 PHE HD1 H 1 6.638 0.030 . 1 . . . . 27 PHE HD1 . 10082 1 241 . 1 1 27 27 PHE HD2 H 1 6.638 0.030 . 1 . . . . 27 PHE HD2 . 10082 1 242 . 1 1 27 27 PHE HE1 H 1 7.136 0.030 . 1 . . . . 27 PHE HE1 . 10082 1 243 . 1 1 27 27 PHE HE2 H 1 7.136 0.030 . 1 . . . . 27 PHE HE2 . 10082 1 244 . 1 1 27 27 PHE HZ H 1 6.737 0.030 . 1 . . . . 27 PHE HZ . 10082 1 245 . 1 1 27 27 PHE C C 13 176.186 0.300 . 1 . . . . 27 PHE C . 10082 1 246 . 1 1 27 27 PHE CA C 13 61.185 0.300 . 1 . . . . 27 PHE CA . 10082 1 247 . 1 1 27 27 PHE CB C 13 39.160 0.300 . 1 . . . . 27 PHE CB . 10082 1 248 . 1 1 27 27 PHE CD1 C 13 132.016 0.300 . 1 . . . . 27 PHE CD1 . 10082 1 249 . 1 1 27 27 PHE CD2 C 13 132.016 0.300 . 1 . . . . 27 PHE CD2 . 10082 1 250 . 1 1 27 27 PHE CE1 C 13 131.127 0.300 . 1 . . . . 27 PHE CE1 . 10082 1 251 . 1 1 27 27 PHE CE2 C 13 131.127 0.300 . 1 . . . . 27 PHE CE2 . 10082 1 252 . 1 1 27 27 PHE CZ C 13 128.715 0.300 . 1 . . . . 27 PHE CZ . 10082 1 253 . 1 1 27 27 PHE N N 15 122.465 0.300 . 1 . . . . 27 PHE N . 10082 1 254 . 1 1 28 28 GLU H H 1 8.683 0.030 . 1 . . . . 28 GLU H . 10082 1 255 . 1 1 28 28 GLU HA H 1 3.478 0.030 . 1 . . . . 28 GLU HA . 10082 1 256 . 1 1 28 28 GLU HB2 H 1 1.735 0.030 . 2 . . . . 28 GLU HB2 . 10082 1 257 . 1 1 28 28 GLU HB3 H 1 1.429 0.030 . 2 . . . . 28 GLU HB3 . 10082 1 258 . 1 1 28 28 GLU HG2 H 1 2.383 0.030 . 2 . . . . 28 GLU HG2 . 10082 1 259 . 1 1 28 28 GLU HG3 H 1 0.177 0.030 . 2 . . . . 28 GLU HG3 . 10082 1 260 . 1 1 28 28 GLU C C 13 180.510 0.300 . 1 . . . . 28 GLU C . 10082 1 261 . 1 1 28 28 GLU CA C 13 59.369 0.300 . 1 . . . . 28 GLU CA . 10082 1 262 . 1 1 28 28 GLU CB C 13 28.826 0.300 . 1 . . . . 28 GLU CB . 10082 1 263 . 1 1 28 28 GLU CG C 13 35.176 0.300 . 1 . . . . 28 GLU CG . 10082 1 264 . 1 1 28 28 GLU N N 15 116.565 0.300 . 1 . . . . 28 GLU N . 10082 1 265 . 1 1 29 29 SER H H 1 8.087 0.030 . 1 . . . . 29 SER H . 10082 1 266 . 1 1 29 29 SER HA H 1 4.139 0.030 . 1 . . . . 29 SER HA . 10082 1 267 . 1 1 29 29 SER HB2 H 1 4.003 0.030 . 1 . . . . 29 SER HB2 . 10082 1 268 . 1 1 29 29 SER HB3 H 1 4.003 0.030 . 1 . . . . 29 SER HB3 . 10082 1 269 . 1 1 29 29 SER C C 13 176.299 0.300 . 1 . . . . 29 SER C . 10082 1 270 . 1 1 29 29 SER CA C 13 61.912 0.300 . 1 . . . . 29 SER CA . 10082 1 271 . 1 1 29 29 SER CB C 13 62.950 0.300 . 1 . . . . 29 SER CB . 10082 1 272 . 1 1 29 29 SER N N 15 114.094 0.300 . 1 . . . . 29 SER N . 10082 1 273 . 1 1 30 30 LEU H H 1 7.389 0.030 . 1 . . . . 30 LEU H . 10082 1 274 . 1 1 30 30 LEU HA H 1 3.970 0.030 . 1 . . . . 30 LEU HA . 10082 1 275 . 1 1 30 30 LEU HB2 H 1 1.395 0.030 . 2 . . . . 30 LEU HB2 . 10082 1 276 . 1 1 30 30 LEU HB3 H 1 1.030 0.030 . 2 . . . . 30 LEU HB3 . 10082 1 277 . 1 1 30 30 LEU HG H 1 1.628 0.030 . 1 . . . . 30 LEU HG . 10082 1 278 . 1 1 30 30 LEU HD11 H 1 0.662 0.030 . 1 . . . . 30 LEU HD1 . 10082 1 279 . 1 1 30 30 LEU HD12 H 1 0.662 0.030 . 1 . . . . 30 LEU HD1 . 10082 1 280 . 1 1 30 30 LEU HD13 H 1 0.662 0.030 . 1 . . . . 30 LEU HD1 . 10082 1 281 . 1 1 30 30 LEU HD21 H 1 0.753 0.030 . 1 . . . . 30 LEU HD2 . 10082 1 282 . 1 1 30 30 LEU HD22 H 1 0.753 0.030 . 1 . . . . 30 LEU HD2 . 10082 1 283 . 1 1 30 30 LEU HD23 H 1 0.753 0.030 . 1 . . . . 30 LEU HD2 . 10082 1 284 . 1 1 30 30 LEU C C 13 178.152 0.300 . 1 . . . . 30 LEU C . 10082 1 285 . 1 1 30 30 LEU CA C 13 57.480 0.300 . 1 . . . . 30 LEU CA . 10082 1 286 . 1 1 30 30 LEU CB C 13 41.504 0.300 . 1 . . . . 30 LEU CB . 10082 1 287 . 1 1 30 30 LEU CG C 13 25.957 0.300 . 1 . . . . 30 LEU CG . 10082 1 288 . 1 1 30 30 LEU CD1 C 13 24.846 0.300 . 2 . . . . 30 LEU CD1 . 10082 1 289 . 1 1 30 30 LEU CD2 C 13 22.942 0.300 . 2 . . . . 30 LEU CD2 . 10082 1 290 . 1 1 30 30 LEU N N 15 120.970 0.300 . 1 . . . . 30 LEU N . 10082 1 291 . 1 1 31 31 PHE H H 1 7.070 0.030 . 1 . . . . 31 PHE H . 10082 1 292 . 1 1 31 31 PHE HA H 1 4.374 0.030 . 1 . . . . 31 PHE HA . 10082 1 293 . 1 1 31 31 PHE HB2 H 1 3.124 0.030 . 2 . . . . 31 PHE HB2 . 10082 1 294 . 1 1 31 31 PHE HB3 H 1 3.043 0.030 . 2 . . . . 31 PHE HB3 . 10082 1 295 . 1 1 31 31 PHE HD1 H 1 7.152 0.030 . 1 . . . . 31 PHE HD1 . 10082 1 296 . 1 1 31 31 PHE HD2 H 1 7.152 0.030 . 1 . . . . 31 PHE HD2 . 10082 1 297 . 1 1 31 31 PHE HE1 H 1 6.427 0.030 . 1 . . . . 31 PHE HE1 . 10082 1 298 . 1 1 31 31 PHE HE2 H 1 6.427 0.030 . 1 . . . . 31 PHE HE2 . 10082 1 299 . 1 1 31 31 PHE HZ H 1 6.892 0.030 . 1 . . . . 31 PHE HZ . 10082 1 300 . 1 1 31 31 PHE C C 13 178.724 0.300 . 1 . . . . 31 PHE C . 10082 1 301 . 1 1 31 31 PHE CA C 13 60.105 0.300 . 1 . . . . 31 PHE CA . 10082 1 302 . 1 1 31 31 PHE CB C 13 40.401 0.300 . 1 . . . . 31 PHE CB . 10082 1 303 . 1 1 31 31 PHE CD1 C 13 131.760 0.300 . 1 . . . . 31 PHE CD1 . 10082 1 304 . 1 1 31 31 PHE CD2 C 13 131.760 0.300 . 1 . . . . 31 PHE CD2 . 10082 1 305 . 1 1 31 31 PHE CE1 C 13 131.936 0.300 . 1 . . . . 31 PHE CE1 . 10082 1 306 . 1 1 31 31 PHE CE2 C 13 131.936 0.300 . 1 . . . . 31 PHE CE2 . 10082 1 307 . 1 1 31 31 PHE CZ C 13 129.038 0.300 . 1 . . . . 31 PHE CZ . 10082 1 308 . 1 1 31 31 PHE N N 15 113.182 0.300 . 1 . . . . 31 PHE N . 10082 1 309 . 1 1 32 32 ARG H H 1 8.646 0.030 . 1 . . . . 32 ARG H . 10082 1 310 . 1 1 32 32 ARG HA H 1 4.391 0.030 . 1 . . . . 32 ARG HA . 10082 1 311 . 1 1 32 32 ARG HB2 H 1 1.910 0.030 . 2 . . . . 32 ARG HB2 . 10082 1 312 . 1 1 32 32 ARG HB3 H 1 1.820 0.030 . 2 . . . . 32 ARG HB3 . 10082 1 313 . 1 1 32 32 ARG HG2 H 1 1.976 0.030 . 2 . . . . 32 ARG HG2 . 10082 1 314 . 1 1 32 32 ARG HG3 H 1 1.739 0.030 . 2 . . . . 32 ARG HG3 . 10082 1 315 . 1 1 32 32 ARG HD2 H 1 3.347 0.030 . 2 . . . . 32 ARG HD2 . 10082 1 316 . 1 1 32 32 ARG HD3 H 1 3.288 0.030 . 2 . . . . 32 ARG HD3 . 10082 1 317 . 1 1 32 32 ARG C C 13 177.538 0.300 . 1 . . . . 32 ARG C . 10082 1 318 . 1 1 32 32 ARG CA C 13 58.386 0.300 . 1 . . . . 32 ARG CA . 10082 1 319 . 1 1 32 32 ARG CB C 13 30.062 0.300 . 1 . . . . 32 ARG CB . 10082 1 320 . 1 1 32 32 ARG CG C 13 28.953 0.300 . 1 . . . . 32 ARG CG . 10082 1 321 . 1 1 32 32 ARG CD C 13 43.631 0.300 . 1 . . . . 32 ARG CD . 10082 1 322 . 1 1 32 32 ARG N N 15 120.369 0.300 . 1 . . . . 32 ARG N . 10082 1 323 . 1 1 33 33 THR H H 1 7.374 0.030 . 1 . . . . 33 THR H . 10082 1 324 . 1 1 33 33 THR HA H 1 3.788 0.030 . 1 . . . . 33 THR HA . 10082 1 325 . 1 1 33 33 THR HB H 1 3.776 0.030 . 1 . . . . 33 THR HB . 10082 1 326 . 1 1 33 33 THR HG21 H 1 0.834 0.030 . 1 . . . . 33 THR HG2 . 10082 1 327 . 1 1 33 33 THR HG22 H 1 0.834 0.030 . 1 . . . . 33 THR HG2 . 10082 1 328 . 1 1 33 33 THR HG23 H 1 0.834 0.030 . 1 . . . . 33 THR HG2 . 10082 1 329 . 1 1 33 33 THR C C 13 174.538 0.300 . 1 . . . . 33 THR C . 10082 1 330 . 1 1 33 33 THR CA C 13 65.624 0.300 . 1 . . . . 33 THR CA . 10082 1 331 . 1 1 33 33 THR CB C 13 69.467 0.300 . 1 . . . . 33 THR CB . 10082 1 332 . 1 1 33 33 THR CG2 C 13 21.039 0.300 . 1 . . . . 33 THR CG2 . 10082 1 333 . 1 1 33 33 THR N N 15 111.914 0.300 . 1 . . . . 33 THR N . 10082 1 334 . 1 1 34 34 TYR H H 1 7.152 0.030 . 1 . . . . 34 TYR H . 10082 1 335 . 1 1 34 34 TYR HA H 1 4.343 0.030 . 1 . . . . 34 TYR HA . 10082 1 336 . 1 1 34 34 TYR HB2 H 1 3.279 0.030 . 2 . . . . 34 TYR HB2 . 10082 1 337 . 1 1 34 34 TYR HB3 H 1 2.987 0.030 . 2 . . . . 34 TYR HB3 . 10082 1 338 . 1 1 34 34 TYR HD1 H 1 7.222 0.030 . 1 . . . . 34 TYR HD1 . 10082 1 339 . 1 1 34 34 TYR HD2 H 1 7.222 0.030 . 1 . . . . 34 TYR HD2 . 10082 1 340 . 1 1 34 34 TYR HE1 H 1 6.711 0.030 . 1 . . . . 34 TYR HE1 . 10082 1 341 . 1 1 34 34 TYR HE2 H 1 6.711 0.030 . 1 . . . . 34 TYR HE2 . 10082 1 342 . 1 1 34 34 TYR C C 13 175.773 0.300 . 1 . . . . 34 TYR C . 10082 1 343 . 1 1 34 34 TYR CA C 13 59.967 0.300 . 1 . . . . 34 TYR CA . 10082 1 344 . 1 1 34 34 TYR CB C 13 39.823 0.300 . 1 . . . . 34 TYR CB . 10082 1 345 . 1 1 34 34 TYR CD1 C 13 133.090 0.300 . 1 . . . . 34 TYR CD1 . 10082 1 346 . 1 1 34 34 TYR CD2 C 13 133.090 0.300 . 1 . . . . 34 TYR CD2 . 10082 1 347 . 1 1 34 34 TYR CE1 C 13 118.194 0.300 . 1 . . . . 34 TYR CE1 . 10082 1 348 . 1 1 34 34 TYR CE2 C 13 118.194 0.300 . 1 . . . . 34 TYR CE2 . 10082 1 349 . 1 1 34 34 TYR N N 15 117.528 0.300 . 1 . . . . 34 TYR N . 10082 1 350 . 1 1 35 35 ASP H H 1 7.497 0.030 . 1 . . . . 35 ASP H . 10082 1 351 . 1 1 35 35 ASP HA H 1 4.786 0.030 . 1 . . . . 35 ASP HA . 10082 1 352 . 1 1 35 35 ASP HB2 H 1 2.972 0.030 . 1 . . . . 35 ASP HB2 . 10082 1 353 . 1 1 35 35 ASP HB3 H 1 2.972 0.030 . 1 . . . . 35 ASP HB3 . 10082 1 354 . 1 1 35 35 ASP C C 13 175.813 0.300 . 1 . . . . 35 ASP C . 10082 1 355 . 1 1 35 35 ASP CA C 13 54.112 0.300 . 1 . . . . 35 ASP CA . 10082 1 356 . 1 1 35 35 ASP CB C 13 42.247 0.300 . 1 . . . . 35 ASP CB . 10082 1 357 . 1 1 35 35 ASP N N 15 118.003 0.300 . 1 . . . . 35 ASP N . 10082 1 358 . 1 1 36 36 LYS H H 1 9.082 0.030 . 1 . . . . 36 LYS H . 10082 1 359 . 1 1 36 36 LYS HA H 1 4.270 0.030 . 1 . . . . 36 LYS HA . 10082 1 360 . 1 1 36 36 LYS HB2 H 1 1.925 0.030 . 1 . . . . 36 LYS HB2 . 10082 1 361 . 1 1 36 36 LYS HB3 H 1 1.925 0.030 . 1 . . . . 36 LYS HB3 . 10082 1 362 . 1 1 36 36 LYS HG2 H 1 1.530 0.030 . 2 . . . . 36 LYS HG2 . 10082 1 363 . 1 1 36 36 LYS HG3 H 1 1.471 0.030 . 2 . . . . 36 LYS HG3 . 10082 1 364 . 1 1 36 36 LYS HD2 H 1 1.704 0.030 . 1 . . . . 36 LYS HD2 . 10082 1 365 . 1 1 36 36 LYS HD3 H 1 1.704 0.030 . 1 . . . . 36 LYS HD3 . 10082 1 366 . 1 1 36 36 LYS HE2 H 1 3.034 0.030 . 1 . . . . 36 LYS HE2 . 10082 1 367 . 1 1 36 36 LYS HE3 H 1 3.034 0.030 . 1 . . . . 36 LYS HE3 . 10082 1 368 . 1 1 36 36 LYS C C 13 176.606 0.300 . 1 . . . . 36 LYS C . 10082 1 369 . 1 1 36 36 LYS CA C 13 58.588 0.300 . 1 . . . . 36 LYS CA . 10082 1 370 . 1 1 36 36 LYS CB C 13 31.956 0.300 . 1 . . . . 36 LYS CB . 10082 1 371 . 1 1 36 36 LYS CG C 13 23.999 0.300 . 1 . . . . 36 LYS CG . 10082 1 372 . 1 1 36 36 LYS CD C 13 29.153 0.300 . 1 . . . . 36 LYS CD . 10082 1 373 . 1 1 36 36 LYS CE C 13 42.276 0.300 . 1 . . . . 36 LYS CE . 10082 1 374 . 1 1 36 36 LYS N N 15 127.305 0.300 . 1 . . . . 36 LYS N . 10082 1 375 . 1 1 37 37 ASP H H 1 8.374 0.030 . 1 . . . . 37 ASP H . 10082 1 376 . 1 1 37 37 ASP HA H 1 4.942 0.030 . 1 . . . . 37 ASP HA . 10082 1 377 . 1 1 37 37 ASP HB2 H 1 2.931 0.030 . 2 . . . . 37 ASP HB2 . 10082 1 378 . 1 1 37 37 ASP HB3 H 1 2.557 0.030 . 2 . . . . 37 ASP HB3 . 10082 1 379 . 1 1 37 37 ASP C C 13 175.306 0.300 . 1 . . . . 37 ASP C . 10082 1 380 . 1 1 37 37 ASP CA C 13 54.266 0.300 . 1 . . . . 37 ASP CA . 10082 1 381 . 1 1 37 37 ASP CB C 13 41.062 0.300 . 1 . . . . 37 ASP CB . 10082 1 382 . 1 1 37 37 ASP N N 15 120.070 0.300 . 1 . . . . 37 ASP N . 10082 1 383 . 1 1 38 38 THR H H 1 7.081 0.030 . 1 . . . . 38 THR H . 10082 1 384 . 1 1 38 38 THR HA H 1 4.288 0.030 . 1 . . . . 38 THR HA . 10082 1 385 . 1 1 38 38 THR HB H 1 3.090 0.030 . 1 . . . . 38 THR HB . 10082 1 386 . 1 1 38 38 THR HG21 H 1 0.209 0.030 . 1 . . . . 38 THR HG2 . 10082 1 387 . 1 1 38 38 THR HG22 H 1 0.209 0.030 . 1 . . . . 38 THR HG2 . 10082 1 388 . 1 1 38 38 THR HG23 H 1 0.209 0.030 . 1 . . . . 38 THR HG2 . 10082 1 389 . 1 1 38 38 THR C C 13 175.433 0.300 . 1 . . . . 38 THR C . 10082 1 390 . 1 1 38 38 THR CA C 13 61.405 0.300 . 1 . . . . 38 THR CA . 10082 1 391 . 1 1 38 38 THR CB C 13 70.157 0.300 . 1 . . . . 38 THR CB . 10082 1 392 . 1 1 38 38 THR CG2 C 13 24.516 0.300 . 1 . . . . 38 THR CG2 . 10082 1 393 . 1 1 38 38 THR N N 15 112.778 0.300 . 1 . . . . 38 THR N . 10082 1 394 . 1 1 39 39 THR H H 1 7.878 0.030 . 1 . . . . 39 THR H . 10082 1 395 . 1 1 39 39 THR HA H 1 4.581 0.030 . 1 . . . . 39 THR HA . 10082 1 396 . 1 1 39 39 THR HB H 1 4.220 0.030 . 1 . . . . 39 THR HB . 10082 1 397 . 1 1 39 39 THR HG21 H 1 1.157 0.030 . 1 . . . . 39 THR HG2 . 10082 1 398 . 1 1 39 39 THR HG22 H 1 1.157 0.030 . 1 . . . . 39 THR HG2 . 10082 1 399 . 1 1 39 39 THR HG23 H 1 1.157 0.030 . 1 . . . . 39 THR HG2 . 10082 1 400 . 1 1 39 39 THR C C 13 172.294 0.300 . 1 . . . . 39 THR C . 10082 1 401 . 1 1 39 39 THR CA C 13 59.668 0.300 . 1 . . . . 39 THR CA . 10082 1 402 . 1 1 39 39 THR CB C 13 72.015 0.300 . 1 . . . . 39 THR CB . 10082 1 403 . 1 1 39 39 THR CG2 C 13 21.840 0.300 . 1 . . . . 39 THR CG2 . 10082 1 404 . 1 1 39 39 THR N N 15 113.487 0.300 . 1 . . . . 39 THR N . 10082 1 405 . 1 1 40 40 PHE H H 1 8.512 0.030 . 1 . . . . 40 PHE H . 10082 1 406 . 1 1 40 40 PHE HA H 1 4.989 0.030 . 1 . . . . 40 PHE HA . 10082 1 407 . 1 1 40 40 PHE HB2 H 1 2.760 0.030 . 2 . . . . 40 PHE HB2 . 10082 1 408 . 1 1 40 40 PHE HB3 H 1 2.338 0.030 . 2 . . . . 40 PHE HB3 . 10082 1 409 . 1 1 40 40 PHE HD1 H 1 6.895 0.030 . 1 . . . . 40 PHE HD1 . 10082 1 410 . 1 1 40 40 PHE HD2 H 1 6.895 0.030 . 1 . . . . 40 PHE HD2 . 10082 1 411 . 1 1 40 40 PHE HE1 H 1 6.764 0.030 . 1 . . . . 40 PHE HE1 . 10082 1 412 . 1 1 40 40 PHE HE2 H 1 6.764 0.030 . 1 . . . . 40 PHE HE2 . 10082 1 413 . 1 1 40 40 PHE HZ H 1 7.264 0.030 . 1 . . . . 40 PHE HZ . 10082 1 414 . 1 1 40 40 PHE C C 13 175.573 0.300 . 1 . . . . 40 PHE C . 10082 1 415 . 1 1 40 40 PHE CA C 13 57.258 0.300 . 1 . . . . 40 PHE CA . 10082 1 416 . 1 1 40 40 PHE CB C 13 44.331 0.300 . 1 . . . . 40 PHE CB . 10082 1 417 . 1 1 40 40 PHE CD1 C 13 132.654 0.300 . 1 . . . . 40 PHE CD1 . 10082 1 418 . 1 1 40 40 PHE CD2 C 13 132.654 0.300 . 1 . . . . 40 PHE CD2 . 10082 1 419 . 1 1 40 40 PHE CE1 C 13 130.386 0.300 . 1 . . . . 40 PHE CE1 . 10082 1 420 . 1 1 40 40 PHE CE2 C 13 130.386 0.300 . 1 . . . . 40 PHE CE2 . 10082 1 421 . 1 1 40 40 PHE CZ C 13 129.200 0.300 . 1 . . . . 40 PHE CZ . 10082 1 422 . 1 1 40 40 PHE N N 15 117.537 0.300 . 1 . . . . 40 PHE N . 10082 1 423 . 1 1 41 41 GLN H H 1 8.852 0.030 . 1 . . . . 41 GLN H . 10082 1 424 . 1 1 41 41 GLN HA H 1 4.578 0.030 . 1 . . . . 41 GLN HA . 10082 1 425 . 1 1 41 41 GLN HB2 H 1 1.871 0.030 . 1 . . . . 41 GLN HB2 . 10082 1 426 . 1 1 41 41 GLN HB3 H 1 1.871 0.030 . 1 . . . . 41 GLN HB3 . 10082 1 427 . 1 1 41 41 GLN HG2 H 1 2.143 0.030 . 2 . . . . 41 GLN HG2 . 10082 1 428 . 1 1 41 41 GLN HG3 H 1 2.065 0.030 . 2 . . . . 41 GLN HG3 . 10082 1 429 . 1 1 41 41 GLN HE21 H 1 7.459 0.030 . 2 . . . . 41 GLN HE21 . 10082 1 430 . 1 1 41 41 GLN HE22 H 1 6.806 0.030 . 2 . . . . 41 GLN HE22 . 10082 1 431 . 1 1 41 41 GLN C C 13 173.127 0.300 . 1 . . . . 41 GLN C . 10082 1 432 . 1 1 41 41 GLN CA C 13 54.795 0.300 . 1 . . . . 41 GLN CA . 10082 1 433 . 1 1 41 41 GLN CB C 13 32.041 0.300 . 1 . . . . 41 GLN CB . 10082 1 434 . 1 1 41 41 GLN CG C 13 33.994 0.300 . 1 . . . . 41 GLN CG . 10082 1 435 . 1 1 41 41 GLN N N 15 122.521 0.300 . 1 . . . . 41 GLN N . 10082 1 436 . 1 1 41 41 GLN NE2 N 15 111.025 0.300 . 1 . . . . 41 GLN NE2 . 10082 1 437 . 1 1 42 42 TYR H H 1 8.865 0.030 . 1 . . . . 42 TYR H . 10082 1 438 . 1 1 42 42 TYR HA H 1 4.339 0.030 . 1 . . . . 42 TYR HA . 10082 1 439 . 1 1 42 42 TYR HB2 H 1 2.966 0.030 . 1 . . . . 42 TYR HB2 . 10082 1 440 . 1 1 42 42 TYR HB3 H 1 2.966 0.030 . 1 . . . . 42 TYR HB3 . 10082 1 441 . 1 1 42 42 TYR HD1 H 1 6.749 0.030 . 1 . . . . 42 TYR HD1 . 10082 1 442 . 1 1 42 42 TYR HD2 H 1 6.749 0.030 . 1 . . . . 42 TYR HD2 . 10082 1 443 . 1 1 42 42 TYR HE1 H 1 6.285 0.030 . 1 . . . . 42 TYR HE1 . 10082 1 444 . 1 1 42 42 TYR HE2 H 1 6.285 0.030 . 1 . . . . 42 TYR HE2 . 10082 1 445 . 1 1 42 42 TYR C C 13 175.713 0.300 . 1 . . . . 42 TYR C . 10082 1 446 . 1 1 42 42 TYR CA C 13 60.155 0.300 . 1 . . . . 42 TYR CA . 10082 1 447 . 1 1 42 42 TYR CB C 13 40.651 0.300 . 1 . . . . 42 TYR CB . 10082 1 448 . 1 1 42 42 TYR CD1 C 13 132.831 0.300 . 1 . . . . 42 TYR CD1 . 10082 1 449 . 1 1 42 42 TYR CD2 C 13 132.831 0.300 . 1 . . . . 42 TYR CD2 . 10082 1 450 . 1 1 42 42 TYR CE1 C 13 118.453 0.300 . 1 . . . . 42 TYR CE1 . 10082 1 451 . 1 1 42 42 TYR CE2 C 13 118.453 0.300 . 1 . . . . 42 TYR CE2 . 10082 1 452 . 1 1 42 42 TYR N N 15 124.071 0.300 . 1 . . . . 42 TYR N . 10082 1 453 . 1 1 43 43 PHE H H 1 9.005 0.030 . 1 . . . . 43 PHE H . 10082 1 454 . 1 1 43 43 PHE HA H 1 5.035 0.030 . 1 . . . . 43 PHE HA . 10082 1 455 . 1 1 43 43 PHE HB2 H 1 3.213 0.030 . 2 . . . . 43 PHE HB2 . 10082 1 456 . 1 1 43 43 PHE HB3 H 1 3.158 0.030 . 2 . . . . 43 PHE HB3 . 10082 1 457 . 1 1 43 43 PHE HD1 H 1 7.218 0.030 . 1 . . . . 43 PHE HD1 . 10082 1 458 . 1 1 43 43 PHE HD2 H 1 7.218 0.030 . 1 . . . . 43 PHE HD2 . 10082 1 459 . 1 1 43 43 PHE HE1 H 1 7.195 0.030 . 1 . . . . 43 PHE HE1 . 10082 1 460 . 1 1 43 43 PHE HE2 H 1 7.195 0.030 . 1 . . . . 43 PHE HE2 . 10082 1 461 . 1 1 43 43 PHE HZ H 1 7.154 0.030 . 1 . . . . 43 PHE HZ . 10082 1 462 . 1 1 43 43 PHE C C 13 176.086 0.300 . 1 . . . . 43 PHE C . 10082 1 463 . 1 1 43 43 PHE CA C 13 55.721 0.300 . 1 . . . . 43 PHE CA . 10082 1 464 . 1 1 43 43 PHE CB C 13 38.499 0.300 . 1 . . . . 43 PHE CB . 10082 1 465 . 1 1 43 43 PHE CD1 C 13 132.296 0.300 . 1 . . . . 43 PHE CD1 . 10082 1 466 . 1 1 43 43 PHE CD2 C 13 132.296 0.300 . 1 . . . . 43 PHE CD2 . 10082 1 467 . 1 1 43 43 PHE CE1 C 13 131.168 0.300 . 1 . . . . 43 PHE CE1 . 10082 1 468 . 1 1 43 43 PHE CE2 C 13 131.168 0.300 . 1 . . . . 43 PHE CE2 . 10082 1 469 . 1 1 43 43 PHE CZ C 13 129.384 0.300 . 1 . . . . 43 PHE CZ . 10082 1 470 . 1 1 43 43 PHE N N 15 122.852 0.300 . 1 . . . . 43 PHE N . 10082 1 471 . 1 1 44 44 LYS H H 1 8.945 0.030 . 1 . . . . 44 LYS H . 10082 1 472 . 1 1 44 44 LYS HA H 1 2.900 0.030 . 1 . . . . 44 LYS HA . 10082 1 473 . 1 1 44 44 LYS HB2 H 1 1.828 0.030 . 1 . . . . 44 LYS HB2 . 10082 1 474 . 1 1 44 44 LYS HB3 H 1 1.828 0.030 . 1 . . . . 44 LYS HB3 . 10082 1 475 . 1 1 44 44 LYS HG2 H 1 1.206 0.030 . 2 . . . . 44 LYS HG2 . 10082 1 476 . 1 1 44 44 LYS HG3 H 1 1.074 0.030 . 2 . . . . 44 LYS HG3 . 10082 1 477 . 1 1 44 44 LYS HD2 H 1 1.669 0.030 . 1 . . . . 44 LYS HD2 . 10082 1 478 . 1 1 44 44 LYS HD3 H 1 1.669 0.030 . 1 . . . . 44 LYS HD3 . 10082 1 479 . 1 1 44 44 LYS HE2 H 1 2.945 0.030 . 1 . . . . 44 LYS HE2 . 10082 1 480 . 1 1 44 44 LYS HE3 H 1 2.945 0.030 . 1 . . . . 44 LYS HE3 . 10082 1 481 . 1 1 44 44 LYS C C 13 179.060 0.300 . 1 . . . . 44 LYS C . 10082 1 482 . 1 1 44 44 LYS CA C 13 60.640 0.300 . 1 . . . . 44 LYS CA . 10082 1 483 . 1 1 44 44 LYS CB C 13 32.551 0.300 . 1 . . . . 44 LYS CB . 10082 1 484 . 1 1 44 44 LYS CG C 13 24.800 0.300 . 1 . . . . 44 LYS CG . 10082 1 485 . 1 1 44 44 LYS CD C 13 29.725 0.300 . 1 . . . . 44 LYS CD . 10082 1 486 . 1 1 44 44 LYS CE C 13 42.070 0.300 . 1 . . . . 44 LYS CE . 10082 1 487 . 1 1 44 44 LYS N N 15 126.102 0.300 . 1 . . . . 44 LYS N . 10082 1 488 . 1 1 45 45 SER HA H 1 3.987 0.030 . 1 . . . . 45 SER HA . 10082 1 489 . 1 1 45 45 SER HB2 H 1 3.604 0.030 . 2 . . . . 45 SER HB2 . 10082 1 490 . 1 1 45 45 SER HB3 H 1 3.548 0.030 . 2 . . . . 45 SER HB3 . 10082 1 491 . 1 1 45 45 SER C C 13 174.669 0.300 . 1 . . . . 45 SER C . 10082 1 492 . 1 1 45 45 SER CA C 13 61.317 0.300 . 1 . . . . 45 SER CA . 10082 1 493 . 1 1 45 45 SER CB C 13 62.188 0.300 . 1 . . . . 45 SER CB . 10082 1 494 . 1 1 46 46 PHE H H 1 6.882 0.030 . 1 . . . . 46 PHE H . 10082 1 495 . 1 1 46 46 PHE HA H 1 4.776 0.030 . 1 . . . . 46 PHE HA . 10082 1 496 . 1 1 46 46 PHE HB2 H 1 3.362 0.030 . 2 . . . . 46 PHE HB2 . 10082 1 497 . 1 1 46 46 PHE HB3 H 1 2.547 0.030 . 2 . . . . 46 PHE HB3 . 10082 1 498 . 1 1 46 46 PHE HD1 H 1 7.104 0.030 . 1 . . . . 46 PHE HD1 . 10082 1 499 . 1 1 46 46 PHE HD2 H 1 7.104 0.030 . 1 . . . . 46 PHE HD2 . 10082 1 500 . 1 1 46 46 PHE HE1 H 1 7.300 0.030 . 1 . . . . 46 PHE HE1 . 10082 1 501 . 1 1 46 46 PHE HE2 H 1 7.300 0.030 . 1 . . . . 46 PHE HE2 . 10082 1 502 . 1 1 46 46 PHE C C 13 173.968 0.300 . 1 . . . . 46 PHE C . 10082 1 503 . 1 1 46 46 PHE CA C 13 56.185 0.300 . 1 . . . . 46 PHE CA . 10082 1 504 . 1 1 46 46 PHE CB C 13 40.254 0.300 . 1 . . . . 46 PHE CB . 10082 1 505 . 1 1 46 46 PHE CD1 C 13 131.266 0.300 . 1 . . . . 46 PHE CD1 . 10082 1 506 . 1 1 46 46 PHE CD2 C 13 131.266 0.300 . 1 . . . . 46 PHE CD2 . 10082 1 507 . 1 1 46 46 PHE CE1 C 13 131.412 0.300 . 1 . . . . 46 PHE CE1 . 10082 1 508 . 1 1 46 46 PHE CE2 C 13 131.412 0.300 . 1 . . . . 46 PHE CE2 . 10082 1 509 . 1 1 46 46 PHE N N 15 116.354 0.300 . 1 . . . . 46 PHE N . 10082 1 510 . 1 1 47 47 LYS H H 1 7.811 0.030 . 1 . . . . 47 LYS H . 10082 1 511 . 1 1 47 47 LYS HA H 1 3.207 0.030 . 1 . . . . 47 LYS HA . 10082 1 512 . 1 1 47 47 LYS HB2 H 1 2.326 0.030 . 2 . . . . 47 LYS HB2 . 10082 1 513 . 1 1 47 47 LYS HB3 H 1 1.994 0.030 . 2 . . . . 47 LYS HB3 . 10082 1 514 . 1 1 47 47 LYS HG2 H 1 1.067 0.030 . 2 . . . . 47 LYS HG2 . 10082 1 515 . 1 1 47 47 LYS HG3 H 1 1.405 0.030 . 2 . . . . 47 LYS HG3 . 10082 1 516 . 1 1 47 47 LYS HD2 H 1 1.622 0.030 . 1 . . . . 47 LYS HD2 . 10082 1 517 . 1 1 47 47 LYS HD3 H 1 1.622 0.030 . 1 . . . . 47 LYS HD3 . 10082 1 518 . 1 1 47 47 LYS HE2 H 1 3.011 0.030 . 1 . . . . 47 LYS HE2 . 10082 1 519 . 1 1 47 47 LYS HE3 H 1 3.011 0.030 . 1 . . . . 47 LYS HE3 . 10082 1 520 . 1 1 47 47 LYS C C 13 175.299 0.300 . 1 . . . . 47 LYS C . 10082 1 521 . 1 1 47 47 LYS CA C 13 58.037 0.300 . 1 . . . . 47 LYS CA . 10082 1 522 . 1 1 47 47 LYS CB C 13 28.341 0.300 . 1 . . . . 47 LYS CB . 10082 1 523 . 1 1 47 47 LYS CG C 13 25.170 0.300 . 1 . . . . 47 LYS CG . 10082 1 524 . 1 1 47 47 LYS CD C 13 28.888 0.300 . 1 . . . . 47 LYS CD . 10082 1 525 . 1 1 47 47 LYS CE C 13 42.441 0.300 . 1 . . . . 47 LYS CE . 10082 1 526 . 1 1 47 47 LYS N N 15 117.501 0.300 . 1 . . . . 47 LYS N . 10082 1 527 . 1 1 48 48 ARG H H 1 7.638 0.030 . 1 . . . . 48 ARG H . 10082 1 528 . 1 1 48 48 ARG HA H 1 5.997 0.030 . 1 . . . . 48 ARG HA . 10082 1 529 . 1 1 48 48 ARG HB2 H 1 1.800 0.030 . 2 . . . . 48 ARG HB2 . 10082 1 530 . 1 1 48 48 ARG HB3 H 1 1.612 0.030 . 2 . . . . 48 ARG HB3 . 10082 1 531 . 1 1 48 48 ARG HG2 H 1 1.901 0.030 . 1 . . . . 48 ARG HG2 . 10082 1 532 . 1 1 48 48 ARG HG3 H 1 1.901 0.030 . 1 . . . . 48 ARG HG3 . 10082 1 533 . 1 1 48 48 ARG HD2 H 1 2.851 0.030 . 2 . . . . 48 ARG HD2 . 10082 1 534 . 1 1 48 48 ARG HD3 H 1 3.133 0.030 . 2 . . . . 48 ARG HD3 . 10082 1 535 . 1 1 48 48 ARG C C 13 174.714 0.300 . 1 . . . . 48 ARG C . 10082 1 536 . 1 1 48 48 ARG CA C 13 53.819 0.300 . 1 . . . . 48 ARG CA . 10082 1 537 . 1 1 48 48 ARG CB C 13 36.597 0.300 . 1 . . . . 48 ARG CB . 10082 1 538 . 1 1 48 48 ARG CG C 13 27.651 0.300 . 1 . . . . 48 ARG CG . 10082 1 539 . 1 1 48 48 ARG CD C 13 44.260 0.300 . 1 . . . . 48 ARG CD . 10082 1 540 . 1 1 48 48 ARG N N 15 114.724 0.300 . 1 . . . . 48 ARG N . 10082 1 541 . 1 1 49 49 VAL H H 1 9.065 0.030 . 1 . . . . 49 VAL H . 10082 1 542 . 1 1 49 49 VAL HA H 1 4.868 0.030 . 1 . . . . 49 VAL HA . 10082 1 543 . 1 1 49 49 VAL HB H 1 1.931 0.030 . 1 . . . . 49 VAL HB . 10082 1 544 . 1 1 49 49 VAL HG11 H 1 0.730 0.030 . 1 . . . . 49 VAL HG1 . 10082 1 545 . 1 1 49 49 VAL HG12 H 1 0.730 0.030 . 1 . . . . 49 VAL HG1 . 10082 1 546 . 1 1 49 49 VAL HG13 H 1 0.730 0.030 . 1 . . . . 49 VAL HG1 . 10082 1 547 . 1 1 49 49 VAL HG21 H 1 0.512 0.030 . 1 . . . . 49 VAL HG2 . 10082 1 548 . 1 1 49 49 VAL HG22 H 1 0.512 0.030 . 1 . . . . 49 VAL HG2 . 10082 1 549 . 1 1 49 49 VAL HG23 H 1 0.512 0.030 . 1 . . . . 49 VAL HG2 . 10082 1 550 . 1 1 49 49 VAL C C 13 175.247 0.300 . 1 . . . . 49 VAL C . 10082 1 551 . 1 1 49 49 VAL CA C 13 60.362 0.300 . 1 . . . . 49 VAL CA . 10082 1 552 . 1 1 49 49 VAL CB C 13 36.550 0.300 . 1 . . . . 49 VAL CB . 10082 1 553 . 1 1 49 49 VAL CG1 C 13 22.077 0.300 . 2 . . . . 49 VAL CG1 . 10082 1 554 . 1 1 49 49 VAL CG2 C 13 20.905 0.300 . 2 . . . . 49 VAL CG2 . 10082 1 555 . 1 1 49 49 VAL N N 15 120.892 0.300 . 1 . . . . 49 VAL N . 10082 1 556 . 1 1 50 50 ARG H H 1 9.564 0.030 . 1 . . . . 50 ARG H . 10082 1 557 . 1 1 50 50 ARG HA H 1 5.199 0.030 . 1 . . . . 50 ARG HA . 10082 1 558 . 1 1 50 50 ARG HB2 H 1 1.970 0.030 . 2 . . . . 50 ARG HB2 . 10082 1 559 . 1 1 50 50 ARG HB3 H 1 1.680 0.030 . 2 . . . . 50 ARG HB3 . 10082 1 560 . 1 1 50 50 ARG HG2 H 1 1.427 0.030 . 1 . . . . 50 ARG HG2 . 10082 1 561 . 1 1 50 50 ARG HG3 H 1 1.427 0.030 . 1 . . . . 50 ARG HG3 . 10082 1 562 . 1 1 50 50 ARG HD2 H 1 3.203 0.030 . 1 . . . . 50 ARG HD2 . 10082 1 563 . 1 1 50 50 ARG HD3 H 1 3.203 0.030 . 1 . . . . 50 ARG HD3 . 10082 1 564 . 1 1 50 50 ARG C C 13 174.074 0.300 . 1 . . . . 50 ARG C . 10082 1 565 . 1 1 50 50 ARG CA C 13 54.992 0.300 . 1 . . . . 50 ARG CA . 10082 1 566 . 1 1 50 50 ARG CB C 13 32.379 0.300 . 1 . . . . 50 ARG CB . 10082 1 567 . 1 1 50 50 ARG CG C 13 28.252 0.300 . 1 . . . . 50 ARG CG . 10082 1 568 . 1 1 50 50 ARG CD C 13 43.420 0.300 . 1 . . . . 50 ARG CD . 10082 1 569 . 1 1 50 50 ARG N N 15 127.292 0.300 . 1 . . . . 50 ARG N . 10082 1 570 . 1 1 51 51 ILE H H 1 9.193 0.030 . 1 . . . . 51 ILE H . 10082 1 571 . 1 1 51 51 ILE HA H 1 4.174 0.030 . 1 . . . . 51 ILE HA . 10082 1 572 . 1 1 51 51 ILE HB H 1 1.239 0.030 . 1 . . . . 51 ILE HB . 10082 1 573 . 1 1 51 51 ILE HG12 H 1 0.191 0.030 . 2 . . . . 51 ILE HG12 . 10082 1 574 . 1 1 51 51 ILE HG13 H 1 1.084 0.030 . 2 . . . . 51 ILE HG13 . 10082 1 575 . 1 1 51 51 ILE HG21 H 1 -0.490 0.030 . 1 . . . . 51 ILE HG2 . 10082 1 576 . 1 1 51 51 ILE HG22 H 1 -0.490 0.030 . 1 . . . . 51 ILE HG2 . 10082 1 577 . 1 1 51 51 ILE HG23 H 1 -0.490 0.030 . 1 . . . . 51 ILE HG2 . 10082 1 578 . 1 1 51 51 ILE HD11 H 1 0.071 0.030 . 1 . . . . 51 ILE HD1 . 10082 1 579 . 1 1 51 51 ILE HD12 H 1 0.071 0.030 . 1 . . . . 51 ILE HD1 . 10082 1 580 . 1 1 51 51 ILE HD13 H 1 0.071 0.030 . 1 . . . . 51 ILE HD1 . 10082 1 581 . 1 1 51 51 ILE C C 13 174.314 0.300 . 1 . . . . 51 ILE C . 10082 1 582 . 1 1 51 51 ILE CA C 13 60.496 0.300 . 1 . . . . 51 ILE CA . 10082 1 583 . 1 1 51 51 ILE CB C 13 39.939 0.300 . 1 . . . . 51 ILE CB . 10082 1 584 . 1 1 51 51 ILE CG1 C 13 27.624 0.300 . 1 . . . . 51 ILE CG1 . 10082 1 585 . 1 1 51 51 ILE CG2 C 13 20.141 0.300 . 1 . . . . 51 ILE CG2 . 10082 1 586 . 1 1 51 51 ILE CD1 C 13 15.930 0.300 . 1 . . . . 51 ILE CD1 . 10082 1 587 . 1 1 51 51 ILE N N 15 128.772 0.300 . 1 . . . . 51 ILE N . 10082 1 588 . 1 1 52 52 ASN H H 1 8.418 0.030 . 1 . . . . 52 ASN H . 10082 1 589 . 1 1 52 52 ASN HA H 1 5.110 0.030 . 1 . . . . 52 ASN HA . 10082 1 590 . 1 1 52 52 ASN HB2 H 1 2.682 0.030 . 2 . . . . 52 ASN HB2 . 10082 1 591 . 1 1 52 52 ASN HB3 H 1 2.520 0.030 . 2 . . . . 52 ASN HB3 . 10082 1 592 . 1 1 52 52 ASN HD21 H 1 6.777 0.030 . 2 . . . . 52 ASN HD21 . 10082 1 593 . 1 1 52 52 ASN HD22 H 1 6.922 0.030 . 2 . . . . 52 ASN HD22 . 10082 1 594 . 1 1 52 52 ASN C C 13 174.132 0.300 . 1 . . . . 52 ASN C . 10082 1 595 . 1 1 52 52 ASN CA C 13 52.509 0.300 . 1 . . . . 52 ASN CA . 10082 1 596 . 1 1 52 52 ASN CB C 13 39.579 0.300 . 1 . . . . 52 ASN CB . 10082 1 597 . 1 1 52 52 ASN N N 15 125.014 0.300 . 1 . . . . 52 ASN N . 10082 1 598 . 1 1 52 52 ASN ND2 N 15 113.062 0.300 . 1 . . . . 52 ASN ND2 . 10082 1 599 . 1 1 53 53 PHE H H 1 8.686 0.030 . 1 . . . . 53 PHE H . 10082 1 600 . 1 1 53 53 PHE HA H 1 4.440 0.030 . 1 . . . . 53 PHE HA . 10082 1 601 . 1 1 53 53 PHE HB2 H 1 3.333 0.030 . 2 . . . . 53 PHE HB2 . 10082 1 602 . 1 1 53 53 PHE HB3 H 1 3.158 0.030 . 2 . . . . 53 PHE HB3 . 10082 1 603 . 1 1 53 53 PHE HD1 H 1 7.464 0.030 . 1 . . . . 53 PHE HD1 . 10082 1 604 . 1 1 53 53 PHE HD2 H 1 7.464 0.030 . 1 . . . . 53 PHE HD2 . 10082 1 605 . 1 1 53 53 PHE HE1 H 1 7.092 0.030 . 1 . . . . 53 PHE HE1 . 10082 1 606 . 1 1 53 53 PHE HE2 H 1 7.092 0.030 . 1 . . . . 53 PHE HE2 . 10082 1 607 . 1 1 53 53 PHE HZ H 1 7.020 0.030 . 1 . . . . 53 PHE HZ . 10082 1 608 . 1 1 53 53 PHE C C 13 176.139 0.300 . 1 . . . . 53 PHE C . 10082 1 609 . 1 1 53 53 PHE CA C 13 57.211 0.300 . 1 . . . . 53 PHE CA . 10082 1 610 . 1 1 53 53 PHE CB C 13 41.343 0.300 . 1 . . . . 53 PHE CB . 10082 1 611 . 1 1 53 53 PHE CD1 C 13 132.535 0.300 . 1 . . . . 53 PHE CD1 . 10082 1 612 . 1 1 53 53 PHE CD2 C 13 132.535 0.300 . 1 . . . . 53 PHE CD2 . 10082 1 613 . 1 1 53 53 PHE CE1 C 13 130.647 0.300 . 1 . . . . 53 PHE CE1 . 10082 1 614 . 1 1 53 53 PHE CE2 C 13 130.647 0.300 . 1 . . . . 53 PHE CE2 . 10082 1 615 . 1 1 53 53 PHE CZ C 13 128.617 0.300 . 1 . . . . 53 PHE CZ . 10082 1 616 . 1 1 53 53 PHE N N 15 121.691 0.300 . 1 . . . . 53 PHE N . 10082 1 617 . 1 1 54 54 SER H H 1 9.974 0.030 . 1 . . . . 54 SER H . 10082 1 618 . 1 1 54 54 SER HA H 1 4.302 0.030 . 1 . . . . 54 SER HA . 10082 1 619 . 1 1 54 54 SER HB2 H 1 4.124 0.030 . 2 . . . . 54 SER HB2 . 10082 1 620 . 1 1 54 54 SER HB3 H 1 4.051 0.030 . 2 . . . . 54 SER HB3 . 10082 1 621 . 1 1 54 54 SER C C 13 174.420 0.300 . 1 . . . . 54 SER C . 10082 1 622 . 1 1 54 54 SER CA C 13 60.698 0.300 . 1 . . . . 54 SER CA . 10082 1 623 . 1 1 54 54 SER CB C 13 64.193 0.300 . 1 . . . . 54 SER CB . 10082 1 624 . 1 1 54 54 SER N N 15 116.779 0.300 . 1 . . . . 54 SER N . 10082 1 625 . 1 1 55 55 ASN H H 1 7.646 0.030 . 1 . . . . 55 ASN H . 10082 1 626 . 1 1 55 55 ASN HA H 1 5.090 0.030 . 1 . . . . 55 ASN HA . 10082 1 627 . 1 1 55 55 ASN HB2 H 1 3.143 0.030 . 2 . . . . 55 ASN HB2 . 10082 1 628 . 1 1 55 55 ASN HB3 H 1 2.940 0.030 . 2 . . . . 55 ASN HB3 . 10082 1 629 . 1 1 55 55 ASN HD21 H 1 7.591 0.030 . 2 . . . . 55 ASN HD21 . 10082 1 630 . 1 1 55 55 ASN HD22 H 1 7.189 0.030 . 2 . . . . 55 ASN HD22 . 10082 1 631 . 1 1 55 55 ASN C C 13 173.400 0.300 . 1 . . . . 55 ASN C . 10082 1 632 . 1 1 55 55 ASN CA C 13 51.833 0.300 . 1 . . . . 55 ASN CA . 10082 1 633 . 1 1 55 55 ASN CB C 13 39.613 0.300 . 1 . . . . 55 ASN CB . 10082 1 634 . 1 1 55 55 ASN N N 15 115.142 0.300 . 1 . . . . 55 ASN N . 10082 1 635 . 1 1 55 55 ASN ND2 N 15 116.035 0.300 . 1 . . . . 55 ASN ND2 . 10082 1 636 . 1 1 56 56 PRO HA H 1 4.343 0.030 . 1 . . . . 56 PRO HA . 10082 1 637 . 1 1 56 56 PRO HB2 H 1 2.204 0.030 . 2 . . . . 56 PRO HB2 . 10082 1 638 . 1 1 56 56 PRO HB3 H 1 1.873 0.030 . 2 . . . . 56 PRO HB3 . 10082 1 639 . 1 1 56 56 PRO HG2 H 1 2.046 0.030 . 2 . . . . 56 PRO HG2 . 10082 1 640 . 1 1 56 56 PRO HG3 H 1 1.885 0.030 . 2 . . . . 56 PRO HG3 . 10082 1 641 . 1 1 56 56 PRO HD2 H 1 3.896 0.030 . 2 . . . . 56 PRO HD2 . 10082 1 642 . 1 1 56 56 PRO HD3 H 1 3.805 0.030 . 2 . . . . 56 PRO HD3 . 10082 1 643 . 1 1 56 56 PRO C C 13 178.869 0.300 . 1 . . . . 56 PRO C . 10082 1 644 . 1 1 56 56 PRO CA C 13 64.774 0.300 . 1 . . . . 56 PRO CA . 10082 1 645 . 1 1 56 56 PRO CB C 13 32.681 0.300 . 1 . . . . 56 PRO CB . 10082 1 646 . 1 1 56 56 PRO CG C 13 27.651 0.300 . 1 . . . . 56 PRO CG . 10082 1 647 . 1 1 56 56 PRO CD C 13 51.131 0.300 . 1 . . . . 56 PRO CD . 10082 1 648 . 1 1 57 57 LEU H H 1 8.129 0.030 . 1 . . . . 57 LEU H . 10082 1 649 . 1 1 57 57 LEU HA H 1 4.194 0.030 . 1 . . . . 57 LEU HA . 10082 1 650 . 1 1 57 57 LEU HB2 H 1 1.809 0.030 . 2 . . . . 57 LEU HB2 . 10082 1 651 . 1 1 57 57 LEU HB3 H 1 1.661 0.030 . 2 . . . . 57 LEU HB3 . 10082 1 652 . 1 1 57 57 LEU HG H 1 1.690 0.030 . 1 . . . . 57 LEU HG . 10082 1 653 . 1 1 57 57 LEU HD11 H 1 0.938 0.030 . 1 . . . . 57 LEU HD1 . 10082 1 654 . 1 1 57 57 LEU HD12 H 1 0.938 0.030 . 1 . . . . 57 LEU HD1 . 10082 1 655 . 1 1 57 57 LEU HD13 H 1 0.938 0.030 . 1 . . . . 57 LEU HD1 . 10082 1 656 . 1 1 57 57 LEU HD21 H 1 0.874 0.030 . 1 . . . . 57 LEU HD2 . 10082 1 657 . 1 1 57 57 LEU HD22 H 1 0.874 0.030 . 1 . . . . 57 LEU HD2 . 10082 1 658 . 1 1 57 57 LEU HD23 H 1 0.874 0.030 . 1 . . . . 57 LEU HD2 . 10082 1 659 . 1 1 57 57 LEU C C 13 179.584 0.300 . 1 . . . . 57 LEU C . 10082 1 660 . 1 1 57 57 LEU CA C 13 57.913 0.300 . 1 . . . . 57 LEU CA . 10082 1 661 . 1 1 57 57 LEU CB C 13 40.675 0.300 . 1 . . . . 57 LEU CB . 10082 1 662 . 1 1 57 57 LEU CG C 13 27.350 0.300 . 1 . . . . 57 LEU CG . 10082 1 663 . 1 1 57 57 LEU CD1 C 13 24.745 0.300 . 2 . . . . 57 LEU CD1 . 10082 1 664 . 1 1 57 57 LEU CD2 C 13 23.543 0.300 . 2 . . . . 57 LEU CD2 . 10082 1 665 . 1 1 57 57 LEU N N 15 120.992 0.300 . 1 . . . . 57 LEU N . 10082 1 666 . 1 1 58 58 SER H H 1 8.209 0.030 . 1 . . . . 58 SER H . 10082 1 667 . 1 1 58 58 SER HA H 1 4.292 0.030 . 1 . . . . 58 SER HA . 10082 1 668 . 1 1 58 58 SER HB2 H 1 4.051 0.030 . 2 . . . . 58 SER HB2 . 10082 1 669 . 1 1 58 58 SER HB3 H 1 3.946 0.030 . 2 . . . . 58 SER HB3 . 10082 1 670 . 1 1 58 58 SER C C 13 176.159 0.300 . 1 . . . . 58 SER C . 10082 1 671 . 1 1 58 58 SER CA C 13 61.452 0.300 . 1 . . . . 58 SER CA . 10082 1 672 . 1 1 58 58 SER CB C 13 63.088 0.300 . 1 . . . . 58 SER CB . 10082 1 673 . 1 1 58 58 SER N N 15 116.269 0.300 . 1 . . . . 58 SER N . 10082 1 674 . 1 1 59 59 ALA H H 1 6.790 0.030 . 1 . . . . 59 ALA H . 10082 1 675 . 1 1 59 59 ALA HA H 1 2.258 0.030 . 1 . . . . 59 ALA HA . 10082 1 676 . 1 1 59 59 ALA HB1 H 1 1.120 0.030 . 1 . . . . 59 ALA HB . 10082 1 677 . 1 1 59 59 ALA HB2 H 1 1.120 0.030 . 1 . . . . 59 ALA HB . 10082 1 678 . 1 1 59 59 ALA HB3 H 1 1.120 0.030 . 1 . . . . 59 ALA HB . 10082 1 679 . 1 1 59 59 ALA C C 13 178.258 0.300 . 1 . . . . 59 ALA C . 10082 1 680 . 1 1 59 59 ALA CA C 13 54.411 0.300 . 1 . . . . 59 ALA CA . 10082 1 681 . 1 1 59 59 ALA CB C 13 18.256 0.300 . 1 . . . . 59 ALA CB . 10082 1 682 . 1 1 59 59 ALA N N 15 122.202 0.300 . 1 . . . . 59 ALA N . 10082 1 683 . 1 1 60 60 ALA H H 1 7.776 0.030 . 1 . . . . 60 ALA H . 10082 1 684 . 1 1 60 60 ALA HA H 1 4.129 0.030 . 1 . . . . 60 ALA HA . 10082 1 685 . 1 1 60 60 ALA HB1 H 1 1.640 0.030 . 1 . . . . 60 ALA HB . 10082 1 686 . 1 1 60 60 ALA HB2 H 1 1.640 0.030 . 1 . . . . 60 ALA HB . 10082 1 687 . 1 1 60 60 ALA HB3 H 1 1.640 0.030 . 1 . . . . 60 ALA HB . 10082 1 688 . 1 1 60 60 ALA C C 13 180.570 0.300 . 1 . . . . 60 ALA C . 10082 1 689 . 1 1 60 60 ALA CA C 13 55.123 0.300 . 1 . . . . 60 ALA CA . 10082 1 690 . 1 1 60 60 ALA CB C 13 17.991 0.300 . 1 . . . . 60 ALA CB . 10082 1 691 . 1 1 60 60 ALA N N 15 118.780 0.300 . 1 . . . . 60 ALA N . 10082 1 692 . 1 1 61 61 ASP H H 1 8.164 0.030 . 1 . . . . 61 ASP H . 10082 1 693 . 1 1 61 61 ASP HA H 1 4.374 0.030 . 1 . . . . 61 ASP HA . 10082 1 694 . 1 1 61 61 ASP HB2 H 1 2.753 0.030 . 2 . . . . 61 ASP HB2 . 10082 1 695 . 1 1 61 61 ASP HB3 H 1 2.622 0.030 . 2 . . . . 61 ASP HB3 . 10082 1 696 . 1 1 61 61 ASP C C 13 177.779 0.300 . 1 . . . . 61 ASP C . 10082 1 697 . 1 1 61 61 ASP CA C 13 57.211 0.300 . 1 . . . . 61 ASP CA . 10082 1 698 . 1 1 61 61 ASP CB C 13 41.043 0.300 . 1 . . . . 61 ASP CB . 10082 1 699 . 1 1 61 61 ASP N N 15 120.014 0.300 . 1 . . . . 61 ASP N . 10082 1 700 . 1 1 62 62 ALA H H 1 7.748 0.030 . 1 . . . . 62 ALA H . 10082 1 701 . 1 1 62 62 ALA HA H 1 3.281 0.030 . 1 . . . . 62 ALA HA . 10082 1 702 . 1 1 62 62 ALA HB1 H 1 1.171 0.030 . 1 . . . . 62 ALA HB . 10082 1 703 . 1 1 62 62 ALA HB2 H 1 1.171 0.030 . 1 . . . . 62 ALA HB . 10082 1 704 . 1 1 62 62 ALA HB3 H 1 1.171 0.030 . 1 . . . . 62 ALA HB . 10082 1 705 . 1 1 62 62 ALA C C 13 178.711 0.300 . 1 . . . . 62 ALA C . 10082 1 706 . 1 1 62 62 ALA CA C 13 54.899 0.300 . 1 . . . . 62 ALA CA . 10082 1 707 . 1 1 62 62 ALA CB C 13 18.748 0.300 . 1 . . . . 62 ALA CB . 10082 1 708 . 1 1 62 62 ALA N N 15 120.892 0.300 . 1 . . . . 62 ALA N . 10082 1 709 . 1 1 63 63 ARG H H 1 7.933 0.030 . 1 . . . . 63 ARG H . 10082 1 710 . 1 1 63 63 ARG HA H 1 3.508 0.030 . 1 . . . . 63 ARG HA . 10082 1 711 . 1 1 63 63 ARG HB2 H 1 1.571 0.030 . 1 . . . . 63 ARG HB2 . 10082 1 712 . 1 1 63 63 ARG HB3 H 1 1.571 0.030 . 1 . . . . 63 ARG HB3 . 10082 1 713 . 1 1 63 63 ARG HG2 H 1 1.154 0.030 . 2 . . . . 63 ARG HG2 . 10082 1 714 . 1 1 63 63 ARG HG3 H 1 0.870 0.030 . 2 . . . . 63 ARG HG3 . 10082 1 715 . 1 1 63 63 ARG HD2 H 1 2.502 0.030 . 2 . . . . 63 ARG HD2 . 10082 1 716 . 1 1 63 63 ARG HD3 H 1 2.222 0.030 . 2 . . . . 63 ARG HD3 . 10082 1 717 . 1 1 63 63 ARG C C 13 178.171 0.300 . 1 . . . . 63 ARG C . 10082 1 718 . 1 1 63 63 ARG CA C 13 60.468 0.300 . 1 . . . . 63 ARG CA . 10082 1 719 . 1 1 63 63 ARG CB C 13 29.195 0.300 . 1 . . . . 63 ARG CB . 10082 1 720 . 1 1 63 63 ARG CG C 13 28.472 0.300 . 1 . . . . 63 ARG CG . 10082 1 721 . 1 1 63 63 ARG CD C 13 42.096 0.300 . 1 . . . . 63 ARG CD . 10082 1 722 . 1 1 63 63 ARG N N 15 116.801 0.300 . 1 . . . . 63 ARG N . 10082 1 723 . 1 1 64 64 LEU H H 1 7.664 0.030 . 1 . . . . 64 LEU H . 10082 1 724 . 1 1 64 64 LEU HA H 1 4.013 0.030 . 1 . . . . 64 LEU HA . 10082 1 725 . 1 1 64 64 LEU HB2 H 1 1.792 0.030 . 1 . . . . 64 LEU HB2 . 10082 1 726 . 1 1 64 64 LEU HB3 H 1 1.792 0.030 . 1 . . . . 64 LEU HB3 . 10082 1 727 . 1 1 64 64 LEU HG H 1 1.637 0.030 . 1 . . . . 64 LEU HG . 10082 1 728 . 1 1 64 64 LEU HD11 H 1 0.941 0.030 . 1 . . . . 64 LEU HD1 . 10082 1 729 . 1 1 64 64 LEU HD12 H 1 0.941 0.030 . 1 . . . . 64 LEU HD1 . 10082 1 730 . 1 1 64 64 LEU HD13 H 1 0.941 0.030 . 1 . . . . 64 LEU HD1 . 10082 1 731 . 1 1 64 64 LEU HD21 H 1 0.969 0.030 . 1 . . . . 64 LEU HD2 . 10082 1 732 . 1 1 64 64 LEU HD22 H 1 0.969 0.030 . 1 . . . . 64 LEU HD2 . 10082 1 733 . 1 1 64 64 LEU HD23 H 1 0.969 0.030 . 1 . . . . 64 LEU HD2 . 10082 1 734 . 1 1 64 64 LEU C C 13 179.478 0.300 . 1 . . . . 64 LEU C . 10082 1 735 . 1 1 64 64 LEU CA C 13 57.816 0.300 . 1 . . . . 64 LEU CA . 10082 1 736 . 1 1 64 64 LEU CB C 13 42.197 0.300 . 1 . . . . 64 LEU CB . 10082 1 737 . 1 1 64 64 LEU CG C 13 27.042 0.300 . 1 . . . . 64 LEU CG . 10082 1 738 . 1 1 64 64 LEU CD1 C 13 24.745 0.300 . 2 . . . . 64 LEU CD1 . 10082 1 739 . 1 1 64 64 LEU CD2 C 13 24.024 0.300 . 2 . . . . 64 LEU CD2 . 10082 1 740 . 1 1 64 64 LEU N N 15 117.238 0.300 . 1 . . . . 64 LEU N . 10082 1 741 . 1 1 65 65 ARG H H 1 7.772 0.030 . 1 . . . . 65 ARG H . 10082 1 742 . 1 1 65 65 ARG HA H 1 4.080 0.030 . 1 . . . . 65 ARG HA . 10082 1 743 . 1 1 65 65 ARG HB2 H 1 1.730 0.030 . 1 . . . . 65 ARG HB2 . 10082 1 744 . 1 1 65 65 ARG HB3 H 1 1.730 0.030 . 1 . . . . 65 ARG HB3 . 10082 1 745 . 1 1 65 65 ARG HG2 H 1 1.698 0.030 . 2 . . . . 65 ARG HG2 . 10082 1 746 . 1 1 65 65 ARG HG3 H 1 1.581 0.030 . 2 . . . . 65 ARG HG3 . 10082 1 747 . 1 1 65 65 ARG HD2 H 1 3.042 0.030 . 1 . . . . 65 ARG HD2 . 10082 1 748 . 1 1 65 65 ARG HD3 H 1 3.042 0.030 . 1 . . . . 65 ARG HD3 . 10082 1 749 . 1 1 65 65 ARG C C 13 178.378 0.300 . 1 . . . . 65 ARG C . 10082 1 750 . 1 1 65 65 ARG CA C 13 58.097 0.300 . 1 . . . . 65 ARG CA . 10082 1 751 . 1 1 65 65 ARG CB C 13 31.146 0.300 . 1 . . . . 65 ARG CB . 10082 1 752 . 1 1 65 65 ARG CG C 13 27.799 0.300 . 1 . . . . 65 ARG CG . 10082 1 753 . 1 1 65 65 ARG CD C 13 42.918 0.300 . 1 . . . . 65 ARG CD . 10082 1 754 . 1 1 65 65 ARG N N 15 115.885 0.300 . 1 . . . . 65 ARG N . 10082 1 755 . 1 1 66 66 LEU H H 1 7.891 0.030 . 1 . . . . 66 LEU H . 10082 1 756 . 1 1 66 66 LEU HA H 1 4.644 0.030 . 1 . . . . 66 LEU HA . 10082 1 757 . 1 1 66 66 LEU HB2 H 1 1.694 0.030 . 2 . . . . 66 LEU HB2 . 10082 1 758 . 1 1 66 66 LEU HB3 H 1 1.173 0.030 . 2 . . . . 66 LEU HB3 . 10082 1 759 . 1 1 66 66 LEU HG H 1 1.302 0.030 . 1 . . . . 66 LEU HG . 10082 1 760 . 1 1 66 66 LEU HD11 H 1 0.175 0.030 . 1 . . . . 66 LEU HD1 . 10082 1 761 . 1 1 66 66 LEU HD12 H 1 0.175 0.030 . 1 . . . . 66 LEU HD1 . 10082 1 762 . 1 1 66 66 LEU HD13 H 1 0.175 0.030 . 1 . . . . 66 LEU HD1 . 10082 1 763 . 1 1 66 66 LEU HD21 H 1 0.745 0.030 . 1 . . . . 66 LEU HD2 . 10082 1 764 . 1 1 66 66 LEU HD22 H 1 0.745 0.030 . 1 . . . . 66 LEU HD2 . 10082 1 765 . 1 1 66 66 LEU HD23 H 1 0.745 0.030 . 1 . . . . 66 LEU HD2 . 10082 1 766 . 1 1 66 66 LEU C C 13 178.958 0.300 . 1 . . . . 66 LEU C . 10082 1 767 . 1 1 66 66 LEU CA C 13 54.800 0.300 . 1 . . . . 66 LEU CA . 10082 1 768 . 1 1 66 66 LEU CB C 13 44.481 0.300 . 1 . . . . 66 LEU CB . 10082 1 769 . 1 1 66 66 LEU CG C 13 26.968 0.300 . 1 . . . . 66 LEU CG . 10082 1 770 . 1 1 66 66 LEU CD1 C 13 26.477 0.300 . 2 . . . . 66 LEU CD1 . 10082 1 771 . 1 1 66 66 LEU CD2 C 13 23.042 0.300 . 2 . . . . 66 LEU CD2 . 10082 1 772 . 1 1 66 66 LEU N N 15 114.718 0.300 . 1 . . . . 66 LEU N . 10082 1 773 . 1 1 67 67 HIS H H 1 8.430 0.030 . 1 . . . . 67 HIS H . 10082 1 774 . 1 1 67 67 HIS HA H 1 4.363 0.030 . 1 . . . . 67 HIS HA . 10082 1 775 . 1 1 67 67 HIS HB2 H 1 3.223 0.030 . 2 . . . . 67 HIS HB2 . 10082 1 776 . 1 1 67 67 HIS HB3 H 1 3.122 0.030 . 2 . . . . 67 HIS HB3 . 10082 1 777 . 1 1 67 67 HIS HD2 H 1 7.029 0.030 . 1 . . . . 67 HIS HD2 . 10082 1 778 . 1 1 67 67 HIS HE1 H 1 7.370 0.030 . 1 . . . . 67 HIS HE1 . 10082 1 779 . 1 1 67 67 HIS C C 13 176.100 0.300 . 1 . . . . 67 HIS C . 10082 1 780 . 1 1 67 67 HIS CA C 13 59.231 0.300 . 1 . . . . 67 HIS CA . 10082 1 781 . 1 1 67 67 HIS CB C 13 31.214 0.300 . 1 . . . . 67 HIS CB . 10082 1 782 . 1 1 67 67 HIS CD2 C 13 118.009 0.300 . 1 . . . . 67 HIS CD2 . 10082 1 783 . 1 1 67 67 HIS CE1 C 13 137.648 0.300 . 1 . . . . 67 HIS CE1 . 10082 1 784 . 1 1 67 67 HIS N N 15 123.193 0.300 . 1 . . . . 67 HIS N . 10082 1 785 . 1 1 68 68 LYS H H 1 8.403 0.030 . 1 . . . . 68 LYS H . 10082 1 786 . 1 1 68 68 LYS HA H 1 3.640 0.030 . 1 . . . . 68 LYS HA . 10082 1 787 . 1 1 68 68 LYS HB2 H 1 1.951 0.030 . 2 . . . . 68 LYS HB2 . 10082 1 788 . 1 1 68 68 LYS HB3 H 1 1.671 0.030 . 2 . . . . 68 LYS HB3 . 10082 1 789 . 1 1 68 68 LYS HG2 H 1 0.219 0.030 . 2 . . . . 68 LYS HG2 . 10082 1 790 . 1 1 68 68 LYS HG3 H 1 0.828 0.030 . 2 . . . . 68 LYS HG3 . 10082 1 791 . 1 1 68 68 LYS HD2 H 1 1.566 0.030 . 2 . . . . 68 LYS HD2 . 10082 1 792 . 1 1 68 68 LYS HD3 H 1 1.487 0.030 . 2 . . . . 68 LYS HD3 . 10082 1 793 . 1 1 68 68 LYS HE2 H 1 2.955 0.030 . 2 . . . . 68 LYS HE2 . 10082 1 794 . 1 1 68 68 LYS HE3 H 1 2.924 0.030 . 2 . . . . 68 LYS HE3 . 10082 1 795 . 1 1 68 68 LYS C C 13 175.766 0.300 . 1 . . . . 68 LYS C . 10082 1 796 . 1 1 68 68 LYS CA C 13 58.999 0.300 . 1 . . . . 68 LYS CA . 10082 1 797 . 1 1 68 68 LYS CB C 13 28.586 0.300 . 1 . . . . 68 LYS CB . 10082 1 798 . 1 1 68 68 LYS CG C 13 24.258 0.300 . 1 . . . . 68 LYS CG . 10082 1 799 . 1 1 68 68 LYS CD C 13 29.045 0.300 . 1 . . . . 68 LYS CD . 10082 1 800 . 1 1 68 68 LYS CE C 13 41.475 0.300 . 1 . . . . 68 LYS CE . 10082 1 801 . 1 1 68 68 LYS N N 15 121.217 0.300 . 1 . . . . 68 LYS N . 10082 1 802 . 1 1 69 69 THR H H 1 7.647 0.030 . 1 . . . . 69 THR H . 10082 1 803 . 1 1 69 69 THR HA H 1 4.580 0.030 . 1 . . . . 69 THR HA . 10082 1 804 . 1 1 69 69 THR HB H 1 4.288 0.030 . 1 . . . . 69 THR HB . 10082 1 805 . 1 1 69 69 THR HG21 H 1 1.239 0.030 . 1 . . . . 69 THR HG2 . 10082 1 806 . 1 1 69 69 THR HG22 H 1 1.239 0.030 . 1 . . . . 69 THR HG2 . 10082 1 807 . 1 1 69 69 THR HG23 H 1 1.239 0.030 . 1 . . . . 69 THR HG2 . 10082 1 808 . 1 1 69 69 THR C C 13 173.347 0.300 . 1 . . . . 69 THR C . 10082 1 809 . 1 1 69 69 THR CA C 13 61.222 0.300 . 1 . . . . 69 THR CA . 10082 1 810 . 1 1 69 69 THR CB C 13 71.279 0.300 . 1 . . . . 69 THR CB . 10082 1 811 . 1 1 69 69 THR CG2 C 13 22.141 0.300 . 1 . . . . 69 THR CG2 . 10082 1 812 . 1 1 69 69 THR N N 15 109.960 0.300 . 1 . . . . 69 THR N . 10082 1 813 . 1 1 70 70 GLU H H 1 8.486 0.030 . 1 . . . . 70 GLU H . 10082 1 814 . 1 1 70 70 GLU HA H 1 4.529 0.030 . 1 . . . . 70 GLU HA . 10082 1 815 . 1 1 70 70 GLU HB2 H 1 1.941 0.030 . 2 . . . . 70 GLU HB2 . 10082 1 816 . 1 1 70 70 GLU HB3 H 1 1.673 0.030 . 2 . . . . 70 GLU HB3 . 10082 1 817 . 1 1 70 70 GLU HG2 H 1 1.848 0.030 . 2 . . . . 70 GLU HG2 . 10082 1 818 . 1 1 70 70 GLU HG3 H 1 2.246 0.030 . 2 . . . . 70 GLU HG3 . 10082 1 819 . 1 1 70 70 GLU C C 13 176.500 0.300 . 1 . . . . 70 GLU C . 10082 1 820 . 1 1 70 70 GLU CA C 13 56.011 0.300 . 1 . . . . 70 GLU CA . 10082 1 821 . 1 1 70 70 GLU CB C 13 31.509 0.300 . 1 . . . . 70 GLU CB . 10082 1 822 . 1 1 70 70 GLU CG C 13 36.666 0.300 . 1 . . . . 70 GLU CG . 10082 1 823 . 1 1 70 70 GLU N N 15 118.811 0.300 . 1 . . . . 70 GLU N . 10082 1 824 . 1 1 71 71 PHE H H 1 9.191 0.030 . 1 . . . . 71 PHE H . 10082 1 825 . 1 1 71 71 PHE HA H 1 4.898 0.030 . 1 . . . . 71 PHE HA . 10082 1 826 . 1 1 71 71 PHE HB2 H 1 3.160 0.030 . 1 . . . . 71 PHE HB2 . 10082 1 827 . 1 1 71 71 PHE HB3 H 1 3.160 0.030 . 1 . . . . 71 PHE HB3 . 10082 1 828 . 1 1 71 71 PHE HD1 H 1 7.398 0.030 . 1 . . . . 71 PHE HD1 . 10082 1 829 . 1 1 71 71 PHE HD2 H 1 7.398 0.030 . 1 . . . . 71 PHE HD2 . 10082 1 830 . 1 1 71 71 PHE HE1 H 1 7.391 0.030 . 1 . . . . 71 PHE HE1 . 10082 1 831 . 1 1 71 71 PHE HE2 H 1 7.391 0.030 . 1 . . . . 71 PHE HE2 . 10082 1 832 . 1 1 71 71 PHE HZ H 1 7.076 0.030 . 1 . . . . 71 PHE HZ . 10082 1 833 . 1 1 71 71 PHE C C 13 174.172 0.300 . 1 . . . . 71 PHE C . 10082 1 834 . 1 1 71 71 PHE CA C 13 56.941 0.300 . 1 . . . . 71 PHE CA . 10082 1 835 . 1 1 71 71 PHE CB C 13 40.996 0.300 . 1 . . . . 71 PHE CB . 10082 1 836 . 1 1 71 71 PHE CD1 C 13 132.484 0.300 . 1 . . . . 71 PHE CD1 . 10082 1 837 . 1 1 71 71 PHE CD2 C 13 132.484 0.300 . 1 . . . . 71 PHE CD2 . 10082 1 838 . 1 1 71 71 PHE CE1 C 13 129.322 0.300 . 1 . . . . 71 PHE CE1 . 10082 1 839 . 1 1 71 71 PHE CE2 C 13 129.322 0.300 . 1 . . . . 71 PHE CE2 . 10082 1 840 . 1 1 71 71 PHE CZ C 13 130.632 0.300 . 1 . . . . 71 PHE CZ . 10082 1 841 . 1 1 71 71 PHE N N 15 125.722 0.300 . 1 . . . . 71 PHE N . 10082 1 842 . 1 1 72 72 LEU H H 1 9.172 0.030 . 1 . . . . 72 LEU H . 10082 1 843 . 1 1 72 72 LEU HA H 1 3.648 0.030 . 1 . . . . 72 LEU HA . 10082 1 844 . 1 1 72 72 LEU HB2 H 1 1.298 0.030 . 2 . . . . 72 LEU HB2 . 10082 1 845 . 1 1 72 72 LEU HB3 H 1 1.171 0.030 . 2 . . . . 72 LEU HB3 . 10082 1 846 . 1 1 72 72 LEU HG H 1 0.241 0.030 . 1 . . . . 72 LEU HG . 10082 1 847 . 1 1 72 72 LEU HD11 H 1 0.548 0.030 . 1 . . . . 72 LEU HD1 . 10082 1 848 . 1 1 72 72 LEU HD12 H 1 0.548 0.030 . 1 . . . . 72 LEU HD1 . 10082 1 849 . 1 1 72 72 LEU HD13 H 1 0.548 0.030 . 1 . . . . 72 LEU HD1 . 10082 1 850 . 1 1 72 72 LEU HD21 H 1 0.561 0.030 . 1 . . . . 72 LEU HD2 . 10082 1 851 . 1 1 72 72 LEU HD22 H 1 0.561 0.030 . 1 . . . . 72 LEU HD2 . 10082 1 852 . 1 1 72 72 LEU HD23 H 1 0.561 0.030 . 1 . . . . 72 LEU HD2 . 10082 1 853 . 1 1 72 72 LEU C C 13 177.309 0.300 . 1 . . . . 72 LEU C . 10082 1 854 . 1 1 72 72 LEU CA C 13 55.015 0.300 . 1 . . . . 72 LEU CA . 10082 1 855 . 1 1 72 72 LEU CB C 13 39.057 0.300 . 1 . . . . 72 LEU CB . 10082 1 856 . 1 1 72 72 LEU CG C 13 25.688 0.300 . 1 . . . . 72 LEU CG . 10082 1 857 . 1 1 72 72 LEU CD1 C 13 27.450 0.300 . 2 . . . . 72 LEU CD1 . 10082 1 858 . 1 1 72 72 LEU CD2 C 13 22.282 0.300 . 2 . . . . 72 LEU CD2 . 10082 1 859 . 1 1 73 73 GLY H H 1 8.413 0.030 . 1 . . . . 73 GLY H . 10082 1 860 . 1 1 73 73 GLY HA2 H 1 4.117 0.030 . 2 . . . . 73 GLY HA2 . 10082 1 861 . 1 1 73 73 GLY HA3 H 1 3.641 0.030 . 2 . . . . 73 GLY HA3 . 10082 1 862 . 1 1 73 73 GLY C C 13 173.994 0.300 . 1 . . . . 73 GLY C . 10082 1 863 . 1 1 73 73 GLY CA C 13 45.379 0.300 . 1 . . . . 73 GLY CA . 10082 1 864 . 1 1 73 73 GLY N N 15 102.782 0.300 . 1 . . . . 73 GLY N . 10082 1 865 . 1 1 74 74 LYS H H 1 7.578 0.030 . 1 . . . . 74 LYS H . 10082 1 866 . 1 1 74 74 LYS HA H 1 4.846 0.030 . 1 . . . . 74 LYS HA . 10082 1 867 . 1 1 74 74 LYS HB2 H 1 2.033 0.030 . 2 . . . . 74 LYS HB2 . 10082 1 868 . 1 1 74 74 LYS HB3 H 1 1.850 0.030 . 2 . . . . 74 LYS HB3 . 10082 1 869 . 1 1 74 74 LYS HG2 H 1 1.414 0.030 . 1 . . . . 74 LYS HG2 . 10082 1 870 . 1 1 74 74 LYS HG3 H 1 1.414 0.030 . 1 . . . . 74 LYS HG3 . 10082 1 871 . 1 1 74 74 LYS HD2 H 1 1.755 0.030 . 1 . . . . 74 LYS HD2 . 10082 1 872 . 1 1 74 74 LYS HD3 H 1 1.755 0.030 . 1 . . . . 74 LYS HD3 . 10082 1 873 . 1 1 74 74 LYS HE2 H 1 3.054 0.030 . 1 . . . . 74 LYS HE2 . 10082 1 874 . 1 1 74 74 LYS HE3 H 1 3.054 0.030 . 1 . . . . 74 LYS HE3 . 10082 1 875 . 1 1 74 74 LYS C C 13 175.853 0.300 . 1 . . . . 74 LYS C . 10082 1 876 . 1 1 74 74 LYS CA C 13 53.785 0.300 . 1 . . . . 74 LYS CA . 10082 1 877 . 1 1 74 74 LYS CB C 13 35.641 0.300 . 1 . . . . 74 LYS CB . 10082 1 878 . 1 1 74 74 LYS CG C 13 24.923 0.300 . 1 . . . . 74 LYS CG . 10082 1 879 . 1 1 74 74 LYS CD C 13 28.853 0.300 . 1 . . . . 74 LYS CD . 10082 1 880 . 1 1 74 74 LYS CE C 13 42.577 0.300 . 1 . . . . 74 LYS CE . 10082 1 881 . 1 1 74 74 LYS N N 15 118.251 0.300 . 1 . . . . 74 LYS N . 10082 1 882 . 1 1 75 75 GLU H H 1 8.886 0.030 . 1 . . . . 75 GLU H . 10082 1 883 . 1 1 75 75 GLU HA H 1 4.199 0.030 . 1 . . . . 75 GLU HA . 10082 1 884 . 1 1 75 75 GLU HB2 H 1 2.001 0.030 . 2 . . . . 75 GLU HB2 . 10082 1 885 . 1 1 75 75 GLU HB3 H 1 1.919 0.030 . 2 . . . . 75 GLU HB3 . 10082 1 886 . 1 1 75 75 GLU HG2 H 1 2.000 0.030 . 2 . . . . 75 GLU HG2 . 10082 1 887 . 1 1 75 75 GLU HG3 H 1 1.947 0.030 . 2 . . . . 75 GLU HG3 . 10082 1 888 . 1 1 75 75 GLU C C 13 176.139 0.300 . 1 . . . . 75 GLU C . 10082 1 889 . 1 1 75 75 GLU CA C 13 57.702 0.300 . 1 . . . . 75 GLU CA . 10082 1 890 . 1 1 75 75 GLU CB C 13 31.002 0.300 . 1 . . . . 75 GLU CB . 10082 1 891 . 1 1 75 75 GLU CG C 13 37.143 0.300 . 1 . . . . 75 GLU CG . 10082 1 892 . 1 1 75 75 GLU N N 15 125.190 0.300 . 1 . . . . 75 GLU N . 10082 1 893 . 1 1 76 76 MET H H 1 9.167 0.030 . 1 . . . . 76 MET H . 10082 1 894 . 1 1 76 76 MET HA H 1 5.021 0.030 . 1 . . . . 76 MET HA . 10082 1 895 . 1 1 76 76 MET HB2 H 1 2.330 0.030 . 2 . . . . 76 MET HB2 . 10082 1 896 . 1 1 76 76 MET HB3 H 1 2.201 0.030 . 2 . . . . 76 MET HB3 . 10082 1 897 . 1 1 76 76 MET HG2 H 1 2.554 0.030 . 1 . . . . 76 MET HG2 . 10082 1 898 . 1 1 76 76 MET HG3 H 1 2.554 0.030 . 1 . . . . 76 MET HG3 . 10082 1 899 . 1 1 76 76 MET HE1 H 1 1.978 0.030 . 1 . . . . 76 MET HE . 10082 1 900 . 1 1 76 76 MET HE2 H 1 1.978 0.030 . 1 . . . . 76 MET HE . 10082 1 901 . 1 1 76 76 MET HE3 H 1 1.978 0.030 . 1 . . . . 76 MET HE . 10082 1 902 . 1 1 76 76 MET C C 13 174.853 0.300 . 1 . . . . 76 MET C . 10082 1 903 . 1 1 76 76 MET CA C 13 55.234 0.300 . 1 . . . . 76 MET CA . 10082 1 904 . 1 1 76 76 MET CB C 13 35.658 0.300 . 1 . . . . 76 MET CB . 10082 1 905 . 1 1 76 76 MET CG C 13 31.617 0.300 . 1 . . . . 76 MET CG . 10082 1 906 . 1 1 76 76 MET CE C 13 16.945 0.300 . 1 . . . . 76 MET CE . 10082 1 907 . 1 1 76 76 MET N N 15 128.242 0.300 . 1 . . . . 76 MET N . 10082 1 908 . 1 1 77 77 LYS H H 1 7.813 0.030 . 1 . . . . 77 LYS H . 10082 1 909 . 1 1 77 77 LYS HA H 1 5.160 0.030 . 1 . . . . 77 LYS HA . 10082 1 910 . 1 1 77 77 LYS HB2 H 1 1.974 0.030 . 2 . . . . 77 LYS HB2 . 10082 1 911 . 1 1 77 77 LYS HB3 H 1 1.922 0.030 . 2 . . . . 77 LYS HB3 . 10082 1 912 . 1 1 77 77 LYS HG2 H 1 1.389 0.030 . 2 . . . . 77 LYS HG2 . 10082 1 913 . 1 1 77 77 LYS HG3 H 1 1.581 0.030 . 2 . . . . 77 LYS HG3 . 10082 1 914 . 1 1 77 77 LYS HD2 H 1 1.913 0.030 . 2 . . . . 77 LYS HD2 . 10082 1 915 . 1 1 77 77 LYS HD3 H 1 1.819 0.030 . 2 . . . . 77 LYS HD3 . 10082 1 916 . 1 1 77 77 LYS HE2 H 1 3.042 0.030 . 1 . . . . 77 LYS HE2 . 10082 1 917 . 1 1 77 77 LYS HE3 H 1 3.042 0.030 . 1 . . . . 77 LYS HE3 . 10082 1 918 . 1 1 77 77 LYS C C 13 174.647 0.300 . 1 . . . . 77 LYS C . 10082 1 919 . 1 1 77 77 LYS CA C 13 54.988 0.300 . 1 . . . . 77 LYS CA . 10082 1 920 . 1 1 77 77 LYS CB C 13 35.811 0.300 . 1 . . . . 77 LYS CB . 10082 1 921 . 1 1 77 77 LYS CG C 13 25.829 0.300 . 1 . . . . 77 LYS CG . 10082 1 922 . 1 1 77 77 LYS CD C 13 29.320 0.300 . 1 . . . . 77 LYS CD . 10082 1 923 . 1 1 77 77 LYS CE C 13 42.176 0.300 . 1 . . . . 77 LYS CE . 10082 1 924 . 1 1 77 77 LYS N N 15 122.761 0.300 . 1 . . . . 77 LYS N . 10082 1 925 . 1 1 78 78 LEU H H 1 10.744 0.030 . 1 . . . . 78 LEU H . 10082 1 926 . 1 1 78 78 LEU HA H 1 5.436 0.030 . 1 . . . . 78 LEU HA . 10082 1 927 . 1 1 78 78 LEU HB2 H 1 1.538 0.030 . 2 . . . . 78 LEU HB2 . 10082 1 928 . 1 1 78 78 LEU HB3 H 1 1.220 0.030 . 2 . . . . 78 LEU HB3 . 10082 1 929 . 1 1 78 78 LEU HG H 1 1.643 0.030 . 1 . . . . 78 LEU HG . 10082 1 930 . 1 1 78 78 LEU HD11 H 1 0.987 0.030 . 1 . . . . 78 LEU HD1 . 10082 1 931 . 1 1 78 78 LEU HD12 H 1 0.987 0.030 . 1 . . . . 78 LEU HD1 . 10082 1 932 . 1 1 78 78 LEU HD13 H 1 0.987 0.030 . 1 . . . . 78 LEU HD1 . 10082 1 933 . 1 1 78 78 LEU HD21 H 1 1.041 0.030 . 1 . . . . 78 LEU HD2 . 10082 1 934 . 1 1 78 78 LEU HD22 H 1 1.041 0.030 . 1 . . . . 78 LEU HD2 . 10082 1 935 . 1 1 78 78 LEU HD23 H 1 1.041 0.030 . 1 . . . . 78 LEU HD2 . 10082 1 936 . 1 1 78 78 LEU C C 13 174.427 0.300 . 1 . . . . 78 LEU C . 10082 1 937 . 1 1 78 78 LEU CA C 13 53.468 0.300 . 1 . . . . 78 LEU CA . 10082 1 938 . 1 1 78 78 LEU CB C 13 47.708 0.300 . 1 . . . . 78 LEU CB . 10082 1 939 . 1 1 78 78 LEU CG C 13 27.992 0.300 . 1 . . . . 78 LEU CG . 10082 1 940 . 1 1 78 78 LEU CD1 C 13 27.606 0.300 . 2 . . . . 78 LEU CD1 . 10082 1 941 . 1 1 78 78 LEU CD2 C 13 25.847 0.300 . 2 . . . . 78 LEU CD2 . 10082 1 942 . 1 1 78 78 LEU N N 15 126.373 0.300 . 1 . . . . 78 LEU N . 10082 1 943 . 1 1 79 79 TYR H H 1 8.816 0.030 . 1 . . . . 79 TYR H . 10082 1 944 . 1 1 79 79 TYR HA H 1 4.591 0.030 . 1 . . . . 79 TYR HA . 10082 1 945 . 1 1 79 79 TYR HB2 H 1 3.199 0.030 . 2 . . . . 79 TYR HB2 . 10082 1 946 . 1 1 79 79 TYR HB3 H 1 2.444 0.030 . 2 . . . . 79 TYR HB3 . 10082 1 947 . 1 1 79 79 TYR HD1 H 1 7.021 0.030 . 1 . . . . 79 TYR HD1 . 10082 1 948 . 1 1 79 79 TYR HD2 H 1 7.021 0.030 . 1 . . . . 79 TYR HD2 . 10082 1 949 . 1 1 79 79 TYR HE1 H 1 6.825 0.030 . 1 . . . . 79 TYR HE1 . 10082 1 950 . 1 1 79 79 TYR HE2 H 1 6.825 0.030 . 1 . . . . 79 TYR HE2 . 10082 1 951 . 1 1 79 79 TYR C C 13 175.519 0.300 . 1 . . . . 79 TYR C . 10082 1 952 . 1 1 79 79 TYR CA C 13 55.620 0.300 . 1 . . . . 79 TYR CA . 10082 1 953 . 1 1 79 79 TYR CB C 13 42.020 0.300 . 1 . . . . 79 TYR CB . 10082 1 954 . 1 1 79 79 TYR CD1 C 13 133.795 0.300 . 1 . . . . 79 TYR CD1 . 10082 1 955 . 1 1 79 79 TYR CD2 C 13 133.795 0.300 . 1 . . . . 79 TYR CD2 . 10082 1 956 . 1 1 79 79 TYR CE1 C 13 118.046 0.300 . 1 . . . . 79 TYR CE1 . 10082 1 957 . 1 1 79 79 TYR CE2 C 13 118.046 0.300 . 1 . . . . 79 TYR CE2 . 10082 1 958 . 1 1 79 79 TYR N N 15 119.136 0.300 . 1 . . . . 79 TYR N . 10082 1 959 . 1 1 80 80 PHE H H 1 8.936 0.030 . 1 . . . . 80 PHE H . 10082 1 960 . 1 1 80 80 PHE HA H 1 4.703 0.030 . 1 . . . . 80 PHE HA . 10082 1 961 . 1 1 80 80 PHE HB2 H 1 3.271 0.030 . 2 . . . . 80 PHE HB2 . 10082 1 962 . 1 1 80 80 PHE HB3 H 1 2.879 0.030 . 2 . . . . 80 PHE HB3 . 10082 1 963 . 1 1 80 80 PHE HD1 H 1 7.377 0.030 . 1 . . . . 80 PHE HD1 . 10082 1 964 . 1 1 80 80 PHE HD2 H 1 7.377 0.030 . 1 . . . . 80 PHE HD2 . 10082 1 965 . 1 1 80 80 PHE HE1 H 1 7.212 0.030 . 1 . . . . 80 PHE HE1 . 10082 1 966 . 1 1 80 80 PHE HE2 H 1 7.212 0.030 . 1 . . . . 80 PHE HE2 . 10082 1 967 . 1 1 80 80 PHE HZ H 1 7.284 0.030 . 1 . . . . 80 PHE HZ . 10082 1 968 . 1 1 80 80 PHE C C 13 176.759 0.300 . 1 . . . . 80 PHE C . 10082 1 969 . 1 1 80 80 PHE CA C 13 59.990 0.300 . 1 . . . . 80 PHE CA . 10082 1 970 . 1 1 80 80 PHE CB C 13 39.034 0.300 . 1 . . . . 80 PHE CB . 10082 1 971 . 1 1 80 80 PHE CD1 C 13 132.275 0.300 . 1 . . . . 80 PHE CD1 . 10082 1 972 . 1 1 80 80 PHE CD2 C 13 132.275 0.300 . 1 . . . . 80 PHE CD2 . 10082 1 973 . 1 1 80 80 PHE CE1 C 13 131.167 0.300 . 1 . . . . 80 PHE CE1 . 10082 1 974 . 1 1 80 80 PHE CE2 C 13 131.167 0.300 . 1 . . . . 80 PHE CE2 . 10082 1 975 . 1 1 80 80 PHE CZ C 13 129.385 0.300 . 1 . . . . 80 PHE CZ . 10082 1 976 . 1 1 80 80 PHE N N 15 120.574 0.300 . 1 . . . . 80 PHE N . 10082 1 977 . 1 1 81 81 ALA H H 1 8.429 0.030 . 1 . . . . 81 ALA H . 10082 1 978 . 1 1 81 81 ALA HA H 1 4.260 0.030 . 1 . . . . 81 ALA HA . 10082 1 979 . 1 1 81 81 ALA HB1 H 1 1.241 0.030 . 1 . . . . 81 ALA HB . 10082 1 980 . 1 1 81 81 ALA HB2 H 1 1.241 0.030 . 1 . . . . 81 ALA HB . 10082 1 981 . 1 1 81 81 ALA HB3 H 1 1.241 0.030 . 1 . . . . 81 ALA HB . 10082 1 982 . 1 1 81 81 ALA C C 13 177.445 0.300 . 1 . . . . 81 ALA C . 10082 1 983 . 1 1 81 81 ALA CA C 13 52.561 0.300 . 1 . . . . 81 ALA CA . 10082 1 984 . 1 1 81 81 ALA CB C 13 18.851 0.300 . 1 . . . . 81 ALA CB . 10082 1 985 . 1 1 81 81 ALA N N 15 124.828 0.300 . 1 . . . . 81 ALA N . 10082 1 986 . 1 1 82 82 GLN H H 1 8.613 0.030 . 1 . . . . 82 GLN H . 10082 1 987 . 1 1 82 82 GLN HA H 1 4.363 0.030 . 1 . . . . 82 GLN HA . 10082 1 988 . 1 1 82 82 GLN HB2 H 1 2.112 0.030 . 2 . . . . 82 GLN HB2 . 10082 1 989 . 1 1 82 82 GLN HB3 H 1 1.987 0.030 . 2 . . . . 82 GLN HB3 . 10082 1 990 . 1 1 82 82 GLN HG2 H 1 2.370 0.030 . 1 . . . . 82 GLN HG2 . 10082 1 991 . 1 1 82 82 GLN HG3 H 1 2.370 0.030 . 1 . . . . 82 GLN HG3 . 10082 1 992 . 1 1 82 82 GLN HE21 H 1 7.491 0.030 . 2 . . . . 82 GLN HE21 . 10082 1 993 . 1 1 82 82 GLN HE22 H 1 6.831 0.030 . 2 . . . . 82 GLN HE22 . 10082 1 994 . 1 1 82 82 GLN C C 13 176.086 0.300 . 1 . . . . 82 GLN C . 10082 1 995 . 1 1 82 82 GLN CA C 13 56.377 0.300 . 1 . . . . 82 GLN CA . 10082 1 996 . 1 1 82 82 GLN CB C 13 29.450 0.300 . 1 . . . . 82 GLN CB . 10082 1 997 . 1 1 82 82 GLN CG C 13 33.829 0.300 . 1 . . . . 82 GLN CG . 10082 1 998 . 1 1 82 82 GLN N N 15 119.553 0.300 . 1 . . . . 82 GLN N . 10082 1 999 . 1 1 82 82 GLN NE2 N 15 112.063 0.300 . 1 . . . . 82 GLN NE2 . 10082 1 1000 . 1 1 83 83 THR H H 1 8.130 0.030 . 1 . . . . 83 THR H . 10082 1 1001 . 1 1 83 83 THR HA H 1 4.291 0.030 . 1 . . . . 83 THR HA . 10082 1 1002 . 1 1 83 83 THR HB H 1 4.210 0.030 . 1 . . . . 83 THR HB . 10082 1 1003 . 1 1 83 83 THR HG21 H 1 1.160 0.030 . 1 . . . . 83 THR HG2 . 10082 1 1004 . 1 1 83 83 THR HG22 H 1 1.160 0.030 . 1 . . . . 83 THR HG2 . 10082 1 1005 . 1 1 83 83 THR HG23 H 1 1.160 0.030 . 1 . . . . 83 THR HG2 . 10082 1 1006 . 1 1 83 83 THR C C 13 174.099 0.300 . 1 . . . . 83 THR C . 10082 1 1007 . 1 1 83 83 THR CA C 13 62.052 0.300 . 1 . . . . 83 THR CA . 10082 1 1008 . 1 1 83 83 THR CB C 13 69.756 0.300 . 1 . . . . 83 THR CB . 10082 1 1009 . 1 1 83 83 THR CG2 C 13 21.803 0.300 . 1 . . . . 83 THR CG2 . 10082 1 1010 . 1 1 83 83 THR N N 15 114.767 0.300 . 1 . . . . 83 THR N . 10082 1 1011 . 1 1 84 84 LEU H H 1 8.039 0.030 . 1 . . . . 84 LEU H . 10082 1 1012 . 1 1 84 84 LEU HA H 1 4.256 0.030 . 1 . . . . 84 LEU HA . 10082 1 1013 . 1 1 84 84 LEU HB2 H 1 1.471 0.030 . 2 . . . . 84 LEU HB2 . 10082 1 1014 . 1 1 84 84 LEU HB3 H 1 1.411 0.030 . 2 . . . . 84 LEU HB3 . 10082 1 1015 . 1 1 84 84 LEU HG H 1 1.442 0.030 . 1 . . . . 84 LEU HG . 10082 1 1016 . 1 1 84 84 LEU HD11 H 1 0.760 0.030 . 1 . . . . 84 LEU HD1 . 10082 1 1017 . 1 1 84 84 LEU HD12 H 1 0.760 0.030 . 1 . . . . 84 LEU HD1 . 10082 1 1018 . 1 1 84 84 LEU HD13 H 1 0.760 0.030 . 1 . . . . 84 LEU HD1 . 10082 1 1019 . 1 1 84 84 LEU HD21 H 1 0.716 0.030 . 1 . . . . 84 LEU HD2 . 10082 1 1020 . 1 1 84 84 LEU HD22 H 1 0.716 0.030 . 1 . . . . 84 LEU HD2 . 10082 1 1021 . 1 1 84 84 LEU HD23 H 1 0.716 0.030 . 1 . . . . 84 LEU HD2 . 10082 1 1022 . 1 1 84 84 LEU C C 13 176.426 0.300 . 1 . . . . 84 LEU C . 10082 1 1023 . 1 1 84 84 LEU CA C 13 55.172 0.300 . 1 . . . . 84 LEU CA . 10082 1 1024 . 1 1 84 84 LEU CB C 13 42.694 0.300 . 1 . . . . 84 LEU CB . 10082 1 1025 . 1 1 84 84 LEU CG C 13 26.931 0.300 . 1 . . . . 84 LEU CG . 10082 1 1026 . 1 1 84 84 LEU CD1 C 13 24.753 0.300 . 2 . . . . 84 LEU CD1 . 10082 1 1027 . 1 1 84 84 LEU CD2 C 13 23.706 0.300 . 2 . . . . 84 LEU CD2 . 10082 1 1028 . 1 1 84 84 LEU N N 15 123.634 0.300 . 1 . . . . 84 LEU N . 10082 1 1029 . 1 1 85 85 HIS H H 1 8.169 0.030 . 1 . . . . 85 HIS H . 10082 1 1030 . 1 1 85 85 HIS HA H 1 4.549 0.030 . 1 . . . . 85 HIS HA . 10082 1 1031 . 1 1 85 85 HIS HB2 H 1 2.979 0.030 . 1 . . . . 85 HIS HB2 . 10082 1 1032 . 1 1 85 85 HIS HB3 H 1 2.979 0.030 . 1 . . . . 85 HIS HB3 . 10082 1 1033 . 1 1 85 85 HIS HD2 H 1 6.883 0.030 . 1 . . . . 85 HIS HD2 . 10082 1 1034 . 1 1 85 85 HIS HE1 H 1 7.695 0.030 . 1 . . . . 85 HIS HE1 . 10082 1 1035 . 1 1 85 85 HIS C C 13 175.480 0.300 . 1 . . . . 85 HIS C . 10082 1 1036 . 1 1 85 85 HIS CA C 13 56.374 0.300 . 1 . . . . 85 HIS CA . 10082 1 1037 . 1 1 85 85 HIS CB C 13 30.890 0.300 . 1 . . . . 85 HIS CB . 10082 1 1038 . 1 1 85 85 HIS CD2 C 13 119.676 0.300 . 1 . . . . 85 HIS CD2 . 10082 1 1039 . 1 1 85 85 HIS CE1 C 13 138.427 0.300 . 1 . . . . 85 HIS CE1 . 10082 1 1040 . 1 1 85 85 HIS N N 15 120.692 0.300 . 1 . . . . 85 HIS N . 10082 1 1041 . 1 1 86 86 ILE H H 1 7.990 0.030 . 1 . . . . 86 ILE H . 10082 1 1042 . 1 1 86 86 ILE HA H 1 3.990 0.030 . 1 . . . . 86 ILE HA . 10082 1 1043 . 1 1 86 86 ILE HB H 1 1.667 0.030 . 1 . . . . 86 ILE HB . 10082 1 1044 . 1 1 86 86 ILE HG12 H 1 1.245 0.030 . 2 . . . . 86 ILE HG12 . 10082 1 1045 . 1 1 86 86 ILE HG13 H 1 0.934 0.030 . 2 . . . . 86 ILE HG13 . 10082 1 1046 . 1 1 86 86 ILE HG21 H 1 0.681 0.030 . 1 . . . . 86 ILE HG2 . 10082 1 1047 . 1 1 86 86 ILE HG22 H 1 0.681 0.030 . 1 . . . . 86 ILE HG2 . 10082 1 1048 . 1 1 86 86 ILE HG23 H 1 0.681 0.030 . 1 . . . . 86 ILE HG2 . 10082 1 1049 . 1 1 86 86 ILE HD11 H 1 0.699 0.030 . 1 . . . . 86 ILE HD1 . 10082 1 1050 . 1 1 86 86 ILE HD12 H 1 0.699 0.030 . 1 . . . . 86 ILE HD1 . 10082 1 1051 . 1 1 86 86 ILE HD13 H 1 0.699 0.030 . 1 . . . . 86 ILE HD1 . 10082 1 1052 . 1 1 86 86 ILE C C 13 176.113 0.300 . 1 . . . . 86 ILE C . 10082 1 1053 . 1 1 86 86 ILE CA C 13 61.342 0.300 . 1 . . . . 86 ILE CA . 10082 1 1054 . 1 1 86 86 ILE CB C 13 38.583 0.300 . 1 . . . . 86 ILE CB . 10082 1 1055 . 1 1 86 86 ILE CG1 C 13 27.264 0.300 . 1 . . . . 86 ILE CG1 . 10082 1 1056 . 1 1 86 86 ILE CG2 C 13 17.358 0.300 . 1 . . . . 86 ILE CG2 . 10082 1 1057 . 1 1 86 86 ILE CD1 C 13 13.257 0.300 . 1 . . . . 86 ILE CD1 . 10082 1 1058 . 1 1 86 86 ILE N N 15 122.644 0.300 . 1 . . . . 86 ILE N . 10082 1 1059 . 1 1 87 87 GLY H H 1 8.342 0.030 . 1 . . . . 87 GLY H . 10082 1 1060 . 1 1 87 87 GLY HA2 H 1 3.829 0.030 . 2 . . . . 87 GLY HA2 . 10082 1 1061 . 1 1 87 87 GLY HA3 H 1 3.763 0.030 . 2 . . . . 87 GLY HA3 . 10082 1 1062 . 1 1 87 87 GLY C C 13 173.540 0.300 . 1 . . . . 87 GLY C . 10082 1 1063 . 1 1 87 87 GLY CA C 13 45.062 0.300 . 1 . . . . 87 GLY CA . 10082 1 1064 . 1 1 87 87 GLY N N 15 112.071 0.300 . 1 . . . . 87 GLY N . 10082 1 1065 . 1 1 88 88 SER H H 1 7.947 0.030 . 1 . . . . 88 SER H . 10082 1 1066 . 1 1 88 88 SER HA H 1 4.505 0.030 . 1 . . . . 88 SER HA . 10082 1 1067 . 1 1 88 88 SER HB2 H 1 3.863 0.030 . 1 . . . . 88 SER HB2 . 10082 1 1068 . 1 1 88 88 SER HB3 H 1 3.863 0.030 . 1 . . . . 88 SER HB3 . 10082 1 1069 . 1 1 88 88 SER C C 13 174.294 0.300 . 1 . . . . 88 SER C . 10082 1 1070 . 1 1 88 88 SER CA C 13 58.034 0.300 . 1 . . . . 88 SER CA . 10082 1 1071 . 1 1 88 88 SER CB C 13 64.088 0.300 . 1 . . . . 88 SER CB . 10082 1 1072 . 1 1 88 88 SER N N 15 114.853 0.300 . 1 . . . . 88 SER N . 10082 1 1073 . 1 1 89 89 SER H H 1 8.388 0.030 . 1 . . . . 89 SER H . 10082 1 1074 . 1 1 89 89 SER HA H 1 4.494 0.030 . 1 . . . . 89 SER HA . 10082 1 1075 . 1 1 89 89 SER HB2 H 1 3.881 0.030 . 1 . . . . 89 SER HB2 . 10082 1 1076 . 1 1 89 89 SER HB3 H 1 3.881 0.030 . 1 . . . . 89 SER HB3 . 10082 1 1077 . 1 1 89 89 SER C C 13 172.667 0.300 . 1 . . . . 89 SER C . 10082 1 1078 . 1 1 89 89 SER CA C 13 58.035 0.300 . 1 . . . . 89 SER CA . 10082 1 1079 . 1 1 89 89 SER CB C 13 64.084 0.300 . 1 . . . . 89 SER CB . 10082 1 1080 . 1 1 89 89 SER N N 15 116.905 0.300 . 1 . . . . 89 SER N . 10082 1 1081 . 1 1 90 90 HIS HA H 1 4.536 0.030 . 1 . . . . 90 HIS HA . 10082 1 1082 . 1 1 90 90 HIS HB2 H 1 2.975 0.030 . 1 . . . . 90 HIS HB2 . 10082 1 1083 . 1 1 90 90 HIS HB3 H 1 2.975 0.030 . 1 . . . . 90 HIS HB3 . 10082 1 1084 . 1 1 90 90 HIS C C 13 174.895 0.300 . 1 . . . . 90 HIS C . 10082 1 1085 . 1 1 90 90 HIS CA C 13 56.497 0.300 . 1 . . . . 90 HIS CA . 10082 1 1086 . 1 1 90 90 HIS CB C 13 30.846 0.300 . 1 . . . . 90 HIS CB . 10082 1 1087 . 1 1 91 91 LEU H H 1 7.821 0.030 . 1 . . . . 91 LEU H . 10082 1 1088 . 1 1 91 91 LEU HA H 1 4.220 0.030 . 1 . . . . 91 LEU HA . 10082 1 1089 . 1 1 91 91 LEU HB2 H 1 1.427 0.030 . 1 . . . . 91 LEU HB2 . 10082 1 1090 . 1 1 91 91 LEU HB3 H 1 1.427 0.030 . 1 . . . . 91 LEU HB3 . 10082 1 1091 . 1 1 91 91 LEU HG H 1 1.239 0.030 . 1 . . . . 91 LEU HG . 10082 1 1092 . 1 1 91 91 LEU HD11 H 1 0.765 0.030 . 1 . . . . 91 LEU HD1 . 10082 1 1093 . 1 1 91 91 LEU HD12 H 1 0.765 0.030 . 1 . . . . 91 LEU HD1 . 10082 1 1094 . 1 1 91 91 LEU HD13 H 1 0.765 0.030 . 1 . . . . 91 LEU HD1 . 10082 1 1095 . 1 1 91 91 LEU HD21 H 1 0.703 0.030 . 1 . . . . 91 LEU HD2 . 10082 1 1096 . 1 1 91 91 LEU HD22 H 1 0.703 0.030 . 1 . . . . 91 LEU HD2 . 10082 1 1097 . 1 1 91 91 LEU HD23 H 1 0.703 0.030 . 1 . . . . 91 LEU HD2 . 10082 1 1098 . 1 1 91 91 LEU C C 13 176.153 0.300 . 1 . . . . 91 LEU C . 10082 1 1099 . 1 1 91 91 LEU CA C 13 54.615 0.300 . 1 . . . . 91 LEU CA . 10082 1 1100 . 1 1 91 91 LEU CB C 13 42.329 0.300 . 1 . . . . 91 LEU CB . 10082 1 1101 . 1 1 91 91 LEU CG C 13 26.649 0.300 . 1 . . . . 91 LEU CG . 10082 1 1102 . 1 1 91 91 LEU CD1 C 13 25.046 0.300 . 2 . . . . 91 LEU CD1 . 10082 1 1103 . 1 1 91 91 LEU CD2 C 13 23.364 0.300 . 2 . . . . 91 LEU CD2 . 10082 1 1104 . 1 1 91 91 LEU N N 15 122.427 0.300 . 1 . . . . 91 LEU N . 10082 1 1105 . 1 1 92 92 ALA H H 1 7.996 0.030 . 1 . . . . 92 ALA H . 10082 1 1106 . 1 1 92 92 ALA HA H 1 4.453 0.030 . 1 . . . . 92 ALA HA . 10082 1 1107 . 1 1 92 92 ALA HB1 H 1 1.271 0.030 . 1 . . . . 92 ALA HB . 10082 1 1108 . 1 1 92 92 ALA HB2 H 1 1.271 0.030 . 1 . . . . 92 ALA HB . 10082 1 1109 . 1 1 92 92 ALA HB3 H 1 1.271 0.030 . 1 . . . . 92 ALA HB . 10082 1 1110 . 1 1 92 92 ALA C C 13 174.638 0.300 . 1 . . . . 92 ALA C . 10082 1 1111 . 1 1 92 92 ALA CA C 13 50.220 0.300 . 1 . . . . 92 ALA CA . 10082 1 1112 . 1 1 92 92 ALA CB C 13 18.272 0.300 . 1 . . . . 92 ALA CB . 10082 1 1113 . 1 1 92 92 ALA N N 15 125.347 0.300 . 1 . . . . 92 ALA N . 10082 1 1114 . 1 1 93 93 PRO HA H 1 4.568 0.030 . 1 . . . . 93 PRO HA . 10082 1 1115 . 1 1 93 93 PRO HB2 H 1 2.245 0.030 . 2 . . . . 93 PRO HB2 . 10082 1 1116 . 1 1 93 93 PRO HB3 H 1 1.835 0.030 . 2 . . . . 93 PRO HB3 . 10082 1 1117 . 1 1 93 93 PRO HG2 H 1 1.996 0.030 . 1 . . . . 93 PRO HG2 . 10082 1 1118 . 1 1 93 93 PRO HG3 H 1 1.996 0.030 . 1 . . . . 93 PRO HG3 . 10082 1 1119 . 1 1 93 93 PRO HD2 H 1 3.614 0.030 . 1 . . . . 93 PRO HD2 . 10082 1 1120 . 1 1 93 93 PRO HD3 H 1 3.614 0.030 . 1 . . . . 93 PRO HD3 . 10082 1 1121 . 1 1 93 93 PRO CA C 13 61.231 0.300 . 1 . . . . 93 PRO CA . 10082 1 1122 . 1 1 93 93 PRO CB C 13 30.770 0.300 . 1 . . . . 93 PRO CB . 10082 1 1123 . 1 1 93 93 PRO CG C 13 27.356 0.300 . 1 . . . . 93 PRO CG . 10082 1 1124 . 1 1 93 93 PRO CD C 13 50.260 0.300 . 1 . . . . 93 PRO CD . 10082 1 1125 . 1 1 94 94 PRO HA H 1 4.351 0.030 . 1 . . . . 94 PRO HA . 10082 1 1126 . 1 1 94 94 PRO HB2 H 1 2.187 0.030 . 2 . . . . 94 PRO HB2 . 10082 1 1127 . 1 1 94 94 PRO HB3 H 1 1.829 0.030 . 2 . . . . 94 PRO HB3 . 10082 1 1128 . 1 1 94 94 PRO HG2 H 1 1.889 0.030 . 1 . . . . 94 PRO HG2 . 10082 1 1129 . 1 1 94 94 PRO HG3 H 1 1.889 0.030 . 1 . . . . 94 PRO HG3 . 10082 1 1130 . 1 1 94 94 PRO HD2 H 1 3.681 0.030 . 2 . . . . 94 PRO HD2 . 10082 1 1131 . 1 1 94 94 PRO HD3 H 1 3.529 0.030 . 2 . . . . 94 PRO HD3 . 10082 1 1132 . 1 1 94 94 PRO C C 13 176.189 0.300 . 1 . . . . 94 PRO C . 10082 1 1133 . 1 1 94 94 PRO CA C 13 62.761 0.300 . 1 . . . . 94 PRO CA . 10082 1 1134 . 1 1 94 94 PRO CB C 13 31.850 0.300 . 1 . . . . 94 PRO CB . 10082 1 1135 . 1 1 94 94 PRO CG C 13 27.250 0.300 . 1 . . . . 94 PRO CG . 10082 1 1136 . 1 1 94 94 PRO CD C 13 50.271 0.300 . 1 . . . . 94 PRO CD . 10082 1 1137 . 1 1 95 95 ASN H H 1 8.441 0.030 . 1 . . . . 95 ASN H . 10082 1 1138 . 1 1 95 95 ASN HA H 1 4.895 0.030 . 1 . . . . 95 ASN HA . 10082 1 1139 . 1 1 95 95 ASN HB2 H 1 2.826 0.030 . 2 . . . . 95 ASN HB2 . 10082 1 1140 . 1 1 95 95 ASN HB3 H 1 2.682 0.030 . 2 . . . . 95 ASN HB3 . 10082 1 1141 . 1 1 95 95 ASN HD21 H 1 7.622 0.030 . 2 . . . . 95 ASN HD21 . 10082 1 1142 . 1 1 95 95 ASN HD22 H 1 6.975 0.030 . 2 . . . . 95 ASN HD22 . 10082 1 1143 . 1 1 95 95 ASN C C 13 173.786 0.300 . 1 . . . . 95 ASN C . 10082 1 1144 . 1 1 95 95 ASN CA C 13 51.103 0.300 . 1 . . . . 95 ASN CA . 10082 1 1145 . 1 1 95 95 ASN CB C 13 38.838 0.300 . 1 . . . . 95 ASN CB . 10082 1 1146 . 1 1 95 95 ASN N N 15 119.504 0.300 . 1 . . . . 95 ASN N . 10082 1 1147 . 1 1 95 95 ASN ND2 N 15 112.870 0.300 . 1 . . . . 95 ASN ND2 . 10082 1 1148 . 1 1 96 96 PRO HA H 1 4.381 0.030 . 1 . . . . 96 PRO HA . 10082 1 1149 . 1 1 96 96 PRO HB2 H 1 2.194 0.030 . 2 . . . . 96 PRO HB2 . 10082 1 1150 . 1 1 96 96 PRO HB3 H 1 1.917 0.030 . 2 . . . . 96 PRO HB3 . 10082 1 1151 . 1 1 96 96 PRO HG2 H 1 1.931 0.030 . 1 . . . . 96 PRO HG2 . 10082 1 1152 . 1 1 96 96 PRO HG3 H 1 1.931 0.030 . 1 . . . . 96 PRO HG3 . 10082 1 1153 . 1 1 96 96 PRO HD2 H 1 3.744 0.030 . 2 . . . . 96 PRO HD2 . 10082 1 1154 . 1 1 96 96 PRO HD3 H 1 3.727 0.030 . 2 . . . . 96 PRO HD3 . 10082 1 1155 . 1 1 96 96 PRO C C 13 176.522 0.300 . 1 . . . . 96 PRO C . 10082 1 1156 . 1 1 96 96 PRO CA C 13 63.495 0.300 . 1 . . . . 96 PRO CA . 10082 1 1157 . 1 1 96 96 PRO CB C 13 32.075 0.300 . 1 . . . . 96 PRO CB . 10082 1 1158 . 1 1 96 96 PRO CG C 13 27.150 0.300 . 1 . . . . 96 PRO CG . 10082 1 1159 . 1 1 96 96 PRO CD C 13 50.666 0.300 . 1 . . . . 96 PRO CD . 10082 1 1160 . 1 1 97 97 ASP H H 1 8.276 0.030 . 1 . . . . 97 ASP H . 10082 1 1161 . 1 1 97 97 ASP HA H 1 4.548 0.030 . 1 . . . . 97 ASP HA . 10082 1 1162 . 1 1 97 97 ASP HB2 H 1 2.711 0.030 . 2 . . . . 97 ASP HB2 . 10082 1 1163 . 1 1 97 97 ASP HB3 H 1 2.609 0.030 . 2 . . . . 97 ASP HB3 . 10082 1 1164 . 1 1 97 97 ASP C C 13 176.353 0.300 . 1 . . . . 97 ASP C . 10082 1 1165 . 1 1 97 97 ASP CA C 13 54.497 0.300 . 1 . . . . 97 ASP CA . 10082 1 1166 . 1 1 97 97 ASP CB C 13 41.142 0.300 . 1 . . . . 97 ASP CB . 10082 1 1167 . 1 1 97 97 ASP N N 15 119.859 0.300 . 1 . . . . 97 ASP N . 10082 1 1168 . 1 1 98 98 LYS H H 1 8.154 0.030 . 1 . . . . 98 LYS H . 10082 1 1169 . 1 1 98 98 LYS HA H 1 4.360 0.030 . 1 . . . . 98 LYS HA . 10082 1 1170 . 1 1 98 98 LYS HB2 H 1 1.894 0.030 . 2 . . . . 98 LYS HB2 . 10082 1 1171 . 1 1 98 98 LYS HB3 H 1 1.749 0.030 . 2 . . . . 98 LYS HB3 . 10082 1 1172 . 1 1 98 98 LYS HG2 H 1 1.405 0.030 . 1 . . . . 98 LYS HG2 . 10082 1 1173 . 1 1 98 98 LYS HG3 H 1 1.405 0.030 . 1 . . . . 98 LYS HG3 . 10082 1 1174 . 1 1 98 98 LYS HD2 H 1 1.673 0.030 . 1 . . . . 98 LYS HD2 . 10082 1 1175 . 1 1 98 98 LYS HD3 H 1 1.673 0.030 . 1 . . . . 98 LYS HD3 . 10082 1 1176 . 1 1 98 98 LYS HE2 H 1 2.972 0.030 . 1 . . . . 98 LYS HE2 . 10082 1 1177 . 1 1 98 98 LYS HE3 H 1 2.972 0.030 . 1 . . . . 98 LYS HE3 . 10082 1 1178 . 1 1 98 98 LYS C C 13 176.486 0.300 . 1 . . . . 98 LYS C . 10082 1 1179 . 1 1 98 98 LYS CA C 13 56.224 0.300 . 1 . . . . 98 LYS CA . 10082 1 1180 . 1 1 98 98 LYS CB C 13 32.752 0.300 . 1 . . . . 98 LYS CB . 10082 1 1181 . 1 1 98 98 LYS CG C 13 24.588 0.300 . 1 . . . . 98 LYS CG . 10082 1 1182 . 1 1 98 98 LYS CD C 13 28.953 0.300 . 1 . . . . 98 LYS CD . 10082 1 1183 . 1 1 98 98 LYS CE C 13 42.176 0.300 . 1 . . . . 98 LYS CE . 10082 1 1184 . 1 1 98 98 LYS N N 15 121.587 0.300 . 1 . . . . 98 LYS N . 10082 1 1185 . 1 1 99 99 SER H H 1 8.310 0.030 . 1 . . . . 99 SER H . 10082 1 1186 . 1 1 99 99 SER HA H 1 4.464 0.030 . 1 . . . . 99 SER HA . 10082 1 1187 . 1 1 99 99 SER HB2 H 1 3.708 0.030 . 2 . . . . 99 SER HB2 . 10082 1 1188 . 1 1 99 99 SER HB3 H 1 3.815 0.030 . 2 . . . . 99 SER HB3 . 10082 1 1189 . 1 1 99 99 SER C C 13 174.553 0.300 . 1 . . . . 99 SER C . 10082 1 1190 . 1 1 99 99 SER CA C 13 58.586 0.300 . 1 . . . . 99 SER CA . 10082 1 1191 . 1 1 99 99 SER CB C 13 63.558 0.300 . 1 . . . . 99 SER CB . 10082 1 1192 . 1 1 99 99 SER N N 15 116.757 0.300 . 1 . . . . 99 SER N . 10082 1 1193 . 1 1 100 100 GLY H H 1 8.219 0.030 . 1 . . . . 100 GLY H . 10082 1 1194 . 1 1 100 100 GLY HA2 H 1 4.158 0.030 . 2 . . . . 100 GLY HA2 . 10082 1 1195 . 1 1 100 100 GLY HA3 H 1 4.077 0.030 . 2 . . . . 100 GLY HA3 . 10082 1 1196 . 1 1 100 100 GLY C C 13 171.788 0.300 . 1 . . . . 100 GLY C . 10082 1 1197 . 1 1 100 100 GLY CA C 13 44.666 0.300 . 1 . . . . 100 GLY CA . 10082 1 1198 . 1 1 100 100 GLY N N 15 110.570 0.300 . 1 . . . . 100 GLY N . 10082 1 1199 . 1 1 101 101 PRO HA H 1 4.474 0.030 . 1 . . . . 101 PRO HA . 10082 1 1200 . 1 1 101 101 PRO HB2 H 1 2.286 0.030 . 2 . . . . 101 PRO HB2 . 10082 1 1201 . 1 1 101 101 PRO HB3 H 1 1.966 0.030 . 2 . . . . 101 PRO HB3 . 10082 1 1202 . 1 1 101 101 PRO HG2 H 1 1.996 0.030 . 1 . . . . 101 PRO HG2 . 10082 1 1203 . 1 1 101 101 PRO HG3 H 1 1.996 0.030 . 1 . . . . 101 PRO HG3 . 10082 1 1204 . 1 1 101 101 PRO HD2 H 1 3.614 0.030 . 1 . . . . 101 PRO HD2 . 10082 1 1205 . 1 1 101 101 PRO HD3 H 1 3.614 0.030 . 1 . . . . 101 PRO HD3 . 10082 1 1206 . 1 1 101 101 PRO CA C 13 63.297 0.300 . 1 . . . . 101 PRO CA . 10082 1 1207 . 1 1 101 101 PRO CB C 13 32.168 0.300 . 1 . . . . 101 PRO CB . 10082 1 1208 . 1 1 101 101 PRO CG C 13 27.139 0.300 . 1 . . . . 101 PRO CG . 10082 1 1209 . 1 1 101 101 PRO CD C 13 49.826 0.300 . 1 . . . . 101 PRO CD . 10082 1 stop_ save_