data_7259 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7259 _Entry.Title ; The solution structure of the BRCT domain from human polymerase reveals homology with the TdT BRCT domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-10 _Entry.Accession_date 2006-08-17 _Entry.Last_release_date 2007-11-21 _Entry.Original_release_date 2007-11-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 E. DeRose . F. . 7259 2 M. Clarkson . W. . 7259 3 S. Gilmore . A. . 7259 4 D. Ramsden . A. . 7259 5 G. Mueller . A. . 7259 6 R. London . E. . 7259 7 A. Lee . L. . 7259 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7259 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 413 7259 '15N chemical shifts' 100 7259 '1H chemical shifts' 651 7259 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 . . 2007-11-21 2006-08-10 original author . 7259 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HTF 'BMRB Entry Tracking System' 7259 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7259 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17915942 _Citation.Full_citation . _Citation.Title 'Solution Structure of Polymerase mu's BRCT Domain Reveals an Element Essential for Its Role in Nonhomologous End Joining.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 43 _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 12100 _Citation.Page_last 12110 _Citation.Year 2007 _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 E. DeRose . F. . 7259 1 2 M. Clarkson . W. . 7259 1 3 S. Gilmore . A. . 7259 1 4 C. Galban . J. . 7259 1 5 A. Tripathy . . . 7259 1 6 J. Havener . M. . 7259 1 7 G. Mueller . A. . 7259 1 8 D. Ramsden . A. . 7259 1 9 R. London . E. . 7259 1 10 A. Lee . L. . 7259 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'alpha-beta-alpha sandwich' 7259 1 'BRCT domain' 7259 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_polymerase_mu_BRCT_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_polymerase_mu_BRCT_domain _Assembly.Entry_ID 7259 _Assembly.ID 1 _Assembly.Name 'DNA polymerase mu (E.C.2.7.7.7)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state '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 monomer 7259 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 'DNA polymerase mu' 1 $polymerase_mu_BRCT_domain . . . native . . . . . 7259 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 2HTF . . . . . . 7259 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DNA polymerase mu' abbreviation 7259 1 'DNA polymerase mu (E.C.2.7.7.7)' system 7259 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_polymerase_mu_BRCT_domain _Entity.Sf_category entity _Entity.Sf_framecode polymerase_mu_BRCT_domain _Entity.Entry_ID 7259 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DNA polymerase mu (E.C.2.7.7.7)' _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 ; GTPPSTRFPGVAIYLVEPRM GRSRRAFLTGLARSKGFRVL DACSSEATHVVMEETSAEEA VSWQERRMAAAPPGCTPPAL LDISWLTESLGAGQPVPVEC RHRLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 2DUN . "Solution Structure Of Brct Domain Of Dna Polymerase Mu" . . . . . 100.00 133 97.14 98.10 7.35e-65 . . . . 7259 1 2 no PDB 2HTF . "The Solution Structure Of The Brct Domain From Human Polymerase Reveals Homology With The Tdt Brct Domain" . . . . . 100.00 105 100.00 100.00 4.98e-68 . . . . 7259 1 3 no DBJ BAB14353 . "unnamed protein product [Homo sapiens]" . . . . . 99.05 242 100.00 100.00 6.13e-66 . . . . 7259 1 4 no DBJ BAF84327 . "unnamed protein product [Homo sapiens]" . . . . . 99.05 270 100.00 100.00 1.47e-65 . . . . 7259 1 5 no DBJ BAG57686 . "unnamed protein product [Homo sapiens]" . . . . . 99.05 237 100.00 100.00 2.29e-66 . . . . 7259 1 6 no EMBL CAB65075 . "DNA polymerase mu [Homo sapiens]" . . . . . 99.05 494 100.00 100.00 2.57e-63 . . . . 7259 1 7 no GB AAF26284 . "DNA polymerase mu [Homo sapiens]" . . . . . 99.05 494 100.00 100.00 2.57e-63 . . . . 7259 1 8 no GB AAH26306 . "POLM protein [Homo sapiens]" . . . . . 99.05 270 100.00 100.00 1.47e-65 . . . . 7259 1 9 no GB AAH49202 . "POLM protein [Homo sapiens]" . . . . . 99.05 508 100.00 100.00 5.34e-62 . . . . 7259 1 10 no GB AAH62590 . "POLM protein [Homo sapiens]" . . . . . 99.05 457 100.00 100.00 7.23e-63 . . . . 7259 1 11 no GB AAW65376 . "polymerase (DNA directed), mu [Homo sapiens]" . . . . . 99.05 494 100.00 100.00 2.57e-63 . . . . 7259 1 12 no REF NP_001271259 . "DNA-directed DNA/RNA polymerase mu isoform 2 [Homo sapiens]" . . . . . 99.05 508 100.00 100.00 5.34e-62 . . . . 7259 1 13 no REF NP_001271260 . "DNA-directed DNA/RNA polymerase mu isoform 3 [Homo sapiens]" . . . . . 99.05 457 100.00 100.00 7.23e-63 . . . . 7259 1 14 no REF NP_037416 . "DNA-directed DNA/RNA polymerase mu isoform 1 [Homo sapiens]" . . . . . 99.05 494 100.00 100.00 2.57e-63 . . . . 7259 1 15 no REF XP_001142751 . "PREDICTED: DNA-directed DNA/RNA polymerase mu isoform X8 [Pan troglodytes]" . . . . . 99.05 457 98.08 98.08 4.48e-61 . . . . 7259 1 16 no REF XP_001142835 . "PREDICTED: DNA-directed DNA/RNA polymerase mu isoform X4 [Pan troglodytes]" . . . . . 99.05 494 98.08 98.08 1.95e-61 . . . . 7259 1 17 no SP Q9NP87 . "RecName: Full=DNA-directed DNA/RNA polymerase mu; Short=Pol Mu; AltName: Full=Terminal transferase [Homo sapiens]" . . . . . 99.05 494 100.00 100.00 2.57e-63 . . . . 7259 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DNA polymerase mu' abbreviation 7259 1 'DNA polymerase mu (E.C.2.7.7.7)' common 7259 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 . 7259 1 2 . THR . 7259 1 3 . PRO . 7259 1 4 . PRO . 7259 1 5 . SER . 7259 1 6 . THR . 7259 1 7 . ARG . 7259 1 8 . PHE . 7259 1 9 . PRO . 7259 1 10 . GLY . 7259 1 11 . VAL . 7259 1 12 . ALA . 7259 1 13 . ILE . 7259 1 14 . TYR . 7259 1 15 . LEU . 7259 1 16 . VAL . 7259 1 17 . GLU . 7259 1 18 . PRO . 7259 1 19 . ARG . 7259 1 20 . MET . 7259 1 21 . GLY . 7259 1 22 . ARG . 7259 1 23 . SER . 7259 1 24 . ARG . 7259 1 25 . ARG . 7259 1 26 . ALA . 7259 1 27 . PHE . 7259 1 28 . LEU . 7259 1 29 . THR . 7259 1 30 . GLY . 7259 1 31 . LEU . 7259 1 32 . ALA . 7259 1 33 . ARG . 7259 1 34 . SER . 7259 1 35 . LYS . 7259 1 36 . GLY . 7259 1 37 . PHE . 7259 1 38 . ARG . 7259 1 39 . VAL . 7259 1 40 . LEU . 7259 1 41 . ASP . 7259 1 42 . ALA . 7259 1 43 . CYS . 7259 1 44 . SER . 7259 1 45 . SER . 7259 1 46 . GLU . 7259 1 47 . ALA . 7259 1 48 . THR . 7259 1 49 . HIS . 7259 1 50 . VAL . 7259 1 51 . VAL . 7259 1 52 . MET . 7259 1 53 . GLU . 7259 1 54 . GLU . 7259 1 55 . THR . 7259 1 56 . SER . 7259 1 57 . ALA . 7259 1 58 . GLU . 7259 1 59 . GLU . 7259 1 60 . ALA . 7259 1 61 . VAL . 7259 1 62 . SER . 7259 1 63 . TRP . 7259 1 64 . GLN . 7259 1 65 . GLU . 7259 1 66 . ARG . 7259 1 67 . ARG . 7259 1 68 . MET . 7259 1 69 . ALA . 7259 1 70 . ALA . 7259 1 71 . ALA . 7259 1 72 . PRO . 7259 1 73 . PRO . 7259 1 74 . GLY . 7259 1 75 . CYS . 7259 1 76 . THR . 7259 1 77 . PRO . 7259 1 78 . PRO . 7259 1 79 . ALA . 7259 1 80 . LEU . 7259 1 81 . LEU . 7259 1 82 . ASP . 7259 1 83 . ILE . 7259 1 84 . SER . 7259 1 85 . TRP . 7259 1 86 . LEU . 7259 1 87 . THR . 7259 1 88 . GLU . 7259 1 89 . SER . 7259 1 90 . LEU . 7259 1 91 . GLY . 7259 1 92 . ALA . 7259 1 93 . GLY . 7259 1 94 . GLN . 7259 1 95 . PRO . 7259 1 96 . VAL . 7259 1 97 . PRO . 7259 1 98 . VAL . 7259 1 99 . GLU . 7259 1 100 . CYS . 7259 1 101 . ARG . 7259 1 102 . HIS . 7259 1 103 . ARG . 7259 1 104 . LEU . 7259 1 105 . GLU . 7259 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 7259 1 . THR 2 2 7259 1 . PRO 3 3 7259 1 . PRO 4 4 7259 1 . SER 5 5 7259 1 . THR 6 6 7259 1 . ARG 7 7 7259 1 . PHE 8 8 7259 1 . PRO 9 9 7259 1 . GLY 10 10 7259 1 . VAL 11 11 7259 1 . ALA 12 12 7259 1 . ILE 13 13 7259 1 . TYR 14 14 7259 1 . LEU 15 15 7259 1 . VAL 16 16 7259 1 . GLU 17 17 7259 1 . PRO 18 18 7259 1 . ARG 19 19 7259 1 . MET 20 20 7259 1 . GLY 21 21 7259 1 . ARG 22 22 7259 1 . SER 23 23 7259 1 . ARG 24 24 7259 1 . ARG 25 25 7259 1 . ALA 26 26 7259 1 . PHE 27 27 7259 1 . LEU 28 28 7259 1 . THR 29 29 7259 1 . GLY 30 30 7259 1 . LEU 31 31 7259 1 . ALA 32 32 7259 1 . ARG 33 33 7259 1 . SER 34 34 7259 1 . LYS 35 35 7259 1 . GLY 36 36 7259 1 . PHE 37 37 7259 1 . ARG 38 38 7259 1 . VAL 39 39 7259 1 . LEU 40 40 7259 1 . ASP 41 41 7259 1 . ALA 42 42 7259 1 . CYS 43 43 7259 1 . SER 44 44 7259 1 . SER 45 45 7259 1 . GLU 46 46 7259 1 . ALA 47 47 7259 1 . THR 48 48 7259 1 . HIS 49 49 7259 1 . VAL 50 50 7259 1 . VAL 51 51 7259 1 . MET 52 52 7259 1 . GLU 53 53 7259 1 . GLU 54 54 7259 1 . THR 55 55 7259 1 . SER 56 56 7259 1 . ALA 57 57 7259 1 . GLU 58 58 7259 1 . GLU 59 59 7259 1 . ALA 60 60 7259 1 . VAL 61 61 7259 1 . SER 62 62 7259 1 . TRP 63 63 7259 1 . GLN 64 64 7259 1 . GLU 65 65 7259 1 . ARG 66 66 7259 1 . ARG 67 67 7259 1 . MET 68 68 7259 1 . ALA 69 69 7259 1 . ALA 70 70 7259 1 . ALA 71 71 7259 1 . PRO 72 72 7259 1 . PRO 73 73 7259 1 . GLY 74 74 7259 1 . CYS 75 75 7259 1 . THR 76 76 7259 1 . PRO 77 77 7259 1 . PRO 78 78 7259 1 . ALA 79 79 7259 1 . LEU 80 80 7259 1 . LEU 81 81 7259 1 . ASP 82 82 7259 1 . ILE 83 83 7259 1 . SER 84 84 7259 1 . TRP 85 85 7259 1 . LEU 86 86 7259 1 . THR 87 87 7259 1 . GLU 88 88 7259 1 . SER 89 89 7259 1 . LEU 90 90 7259 1 . GLY 91 91 7259 1 . ALA 92 92 7259 1 . GLY 93 93 7259 1 . GLN 94 94 7259 1 . PRO 95 95 7259 1 . VAL 96 96 7259 1 . PRO 97 97 7259 1 . VAL 98 98 7259 1 . GLU 99 99 7259 1 . CYS 100 100 7259 1 . ARG 101 101 7259 1 . HIS 102 102 7259 1 . ARG 103 103 7259 1 . LEU 104 104 7259 1 . GLU 105 105 7259 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 7259 _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 $polymerase_mu_BRCT_domain . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7259 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 7259 _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 $polymerase_mu_BRCT_domain . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7259 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7259 _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 'DNA polymerase mu (E.C.2.7.7.7)' '[U-13C; U-15N]' . . 1 $polymerase_mu_BRCT_domain . . 1 . . mM . . . . 7259 1 2 d-Tris . . . . . . . 25 . . mM . . . . 7259 1 3 KCl . . . . . . . 50 . . mM . . . . 7259 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 7259 1 5 DTT . . . . . . . 5 . . mM . . . . 7259 1 6 H2O . . . . . . . 90 . . % . . . . 7259 1 7 D2O . . . . . . . 10 . . % . . . . 7259 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7259 _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' 50 . mM 7259 1 pH 7.9 . n/a 7259 1 pressure 1 . atm 7259 1 temperature 283 . K 7259 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7259 _Software.ID 1 _Software.Name VNMR _Software.Version '1.1C, VNMRJ 1.1C' _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7259 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7259 _Software.ID 2 _Software.Name NMRPipe _Software.Version '2003, 2004' _Software.Details 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer, and Bax' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7259 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 7259 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details 'Johnson and Blevins' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7259 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7259 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details 'Guentert, Mumenthaler, Herrmann, and Wuthrich' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7259 4 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 7259 _Software.ID 5 _Software.Name ARIA _Software.Version 2.0a _Software.Details 'Habeck, Rieping, Linge, and Nilges' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7259 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7259 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7259 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 800 . . . 7259 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 7259 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7259 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7259 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 7259 _NMR_spec_expt.ID 1 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 7259 _NMR_spec_expt.ID 2 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7259 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7259 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 7259 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7259 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7259 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 7259 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR HA H 1 4.645 0.03 . 1 . . . . . . . . 7259 1 2 . 1 1 2 2 THR HB H 1 4.110 0.03 . 1 . . . . . . . . 7259 1 3 . 1 1 2 2 THR HG21 H 1 1.301 0.03 . 1 . . . . . . . . 7259 1 4 . 1 1 2 2 THR HG22 H 1 1.301 0.03 . 1 . . . . . . . . 7259 1 5 . 1 1 2 2 THR HG23 H 1 1.301 0.03 . 1 . . . . . . . . 7259 1 6 . 1 1 2 2 THR CA C 13 60.178 0.3 . 1 . . . . . . . . 7259 1 7 . 1 1 2 2 THR CB C 13 69.969 0.3 . 1 . . . . . . . . 7259 1 8 . 1 1 2 2 THR CG2 C 13 21.665 0.3 . 1 . . . . . . . . 7259 1 9 . 1 1 2 2 THR N N 15 116.629 0.3 . 1 . . . . . . . . 7259 1 10 . 1 1 3 3 PRO HA H 1 4.754 0.03 . 1 . . . . . . . . 7259 1 11 . 1 1 3 3 PRO HB2 H 1 1.910 0.03 . 2 . . . . . . . . 7259 1 12 . 1 1 3 3 PRO HB3 H 1 2.404 0.03 . 2 . . . . . . . . 7259 1 13 . 1 1 3 3 PRO HG2 H 1 2.069 0.03 . 1 . . . . . . . . 7259 1 14 . 1 1 3 3 PRO HG3 H 1 2.069 0.03 . 1 . . . . . . . . 7259 1 15 . 1 1 3 3 PRO HD2 H 1 3.751 0.03 . 2 . . . . . . . . 7259 1 16 . 1 1 3 3 PRO HD3 H 1 3.972 0.03 . 2 . . . . . . . . 7259 1 17 . 1 1 3 3 PRO CA C 13 61.639 0.3 . 1 . . . . . . . . 7259 1 18 . 1 1 3 3 PRO CB C 13 30.902 0.3 . 1 . . . . . . . . 7259 1 19 . 1 1 3 3 PRO CG C 13 27.447 0.3 . 1 . . . . . . . . 7259 1 20 . 1 1 3 3 PRO CD C 13 51.237 0.3 . 1 . . . . . . . . 7259 1 21 . 1 1 3 3 PRO N N 15 141.581 0.3 . 1 . . . . . . . . 7259 1 22 . 1 1 4 4 PRO HA H 1 4.497 0.03 . 1 . . . . . . . . 7259 1 23 . 1 1 4 4 PRO HB2 H 1 1.963 0.03 . 2 . . . . . . . . 7259 1 24 . 1 1 4 4 PRO HB3 H 1 2.331 0.03 . 2 . . . . . . . . 7259 1 25 . 1 1 4 4 PRO HG2 H 1 2.054 0.03 . 1 . . . . . . . . 7259 1 26 . 1 1 4 4 PRO HG3 H 1 2.054 0.03 . 1 . . . . . . . . 7259 1 27 . 1 1 4 4 PRO HD2 H 1 3.679 0.03 . 2 . . . . . . . . 7259 1 28 . 1 1 4 4 PRO HD3 H 1 3.847 0.03 . 2 . . . . . . . . 7259 1 29 . 1 1 4 4 PRO C C 13 176.898 0.3 . 1 . . . . . . . . 7259 1 30 . 1 1 4 4 PRO CA C 13 62.846 0.3 . 1 . . . . . . . . 7259 1 31 . 1 1 4 4 PRO CB C 13 32.092 0.3 . 1 . . . . . . . . 7259 1 32 . 1 1 4 4 PRO CG C 13 27.493 0.3 . 1 . . . . . . . . 7259 1 33 . 1 1 4 4 PRO CD C 13 50.502 0.3 . 1 . . . . . . . . 7259 1 34 . 1 1 4 4 PRO N N 15 135.668 0.3 . 1 . . . . . . . . 7259 1 35 . 1 1 5 5 SER H H 1 8.590 0.03 . 1 . . . . . . . . 7259 1 36 . 1 1 5 5 SER HA H 1 4.450 0.03 . 1 . . . . . . . . 7259 1 37 . 1 1 5 5 SER HB2 H 1 3.867 0.03 . 1 . . . . . . . . 7259 1 38 . 1 1 5 5 SER HB3 H 1 3.867 0.03 . 1 . . . . . . . . 7259 1 39 . 1 1 5 5 SER C C 13 174.601 0.3 . 1 . . . . . . . . 7259 1 40 . 1 1 5 5 SER CA C 13 58.224 0.3 . 1 . . . . . . . . 7259 1 41 . 1 1 5 5 SER CB C 13 63.634 0.3 . 1 . . . . . . . . 7259 1 42 . 1 1 5 5 SER N N 15 115.687 0.3 . 1 . . . . . . . . 7259 1 43 . 1 1 6 6 THR H H 1 8.161 0.03 . 1 . . . . . . . . 7259 1 44 . 1 1 6 6 THR HA H 1 4.395 0.03 . 1 . . . . . . . . 7259 1 45 . 1 1 6 6 THR HB H 1 4.229 0.03 . 1 . . . . . . . . 7259 1 46 . 1 1 6 6 THR HG21 H 1 1.124 0.03 . 1 . . . . . . . . 7259 1 47 . 1 1 6 6 THR HG22 H 1 1.124 0.03 . 1 . . . . . . . . 7259 1 48 . 1 1 6 6 THR HG23 H 1 1.124 0.03 . 1 . . . . . . . . 7259 1 49 . 1 1 6 6 THR C C 13 173.569 0.3 . 1 . . . . . . . . 7259 1 50 . 1 1 6 6 THR CA C 13 60.924 0.3 . 1 . . . . . . . . 7259 1 51 . 1 1 6 6 THR CB C 13 69.563 0.3 . 1 . . . . . . . . 7259 1 52 . 1 1 6 6 THR CG2 C 13 20.293 0.3 . 1 . . . . . . . . 7259 1 53 . 1 1 6 6 THR N N 15 116.391 0.3 . 1 . . . . . . . . 7259 1 54 . 1 1 7 7 ARG H H 1 8.318 0.03 . 1 . . . . . . . . 7259 1 55 . 1 1 7 7 ARG HA H 1 3.991 0.03 . 1 . . . . . . . . 7259 1 56 . 1 1 7 7 ARG HB2 H 1 1.086 0.03 . 1 . . . . . . . . 7259 1 57 . 1 1 7 7 ARG HB3 H 1 1.086 0.03 . 1 . . . . . . . . 7259 1 58 . 1 1 7 7 ARG HG2 H 1 1.206 0.03 . 1 . . . . . . . . 7259 1 59 . 1 1 7 7 ARG HG3 H 1 1.206 0.03 . 1 . . . . . . . . 7259 1 60 . 1 1 7 7 ARG HD2 H 1 3.010 0.03 . 1 . . . . . . . . 7259 1 61 . 1 1 7 7 ARG HD3 H 1 3.010 0.03 . 1 . . . . . . . . 7259 1 62 . 1 1 7 7 ARG C C 13 175.498 0.3 . 1 . . . . . . . . 7259 1 63 . 1 1 7 7 ARG CA C 13 57.258 0.3 . 1 . . . . . . . . 7259 1 64 . 1 1 7 7 ARG CB C 13 30.757 0.3 . 1 . . . . . . . . 7259 1 65 . 1 1 7 7 ARG CG C 13 27.051 0.3 . 1 . . . . . . . . 7259 1 66 . 1 1 7 7 ARG CD C 13 43.273 0.3 . 1 . . . . . . . . 7259 1 67 . 1 1 7 7 ARG N N 15 124.777 0.3 . 1 . . . . . . . . 7259 1 68 . 1 1 8 8 PHE H H 1 8.189 0.03 . 1 . . . . . . . . 7259 1 69 . 1 1 8 8 PHE HA H 1 5.115 0.03 . 1 . . . . . . . . 7259 1 70 . 1 1 8 8 PHE HB2 H 1 3.017 0.03 . 2 . . . . . . . . 7259 1 71 . 1 1 8 8 PHE HB3 H 1 3.174 0.03 . 2 . . . . . . . . 7259 1 72 . 1 1 8 8 PHE HD1 H 1 6.954 0.03 . 1 . . . . . . . . 7259 1 73 . 1 1 8 8 PHE HD2 H 1 6.954 0.03 . 1 . . . . . . . . 7259 1 74 . 1 1 8 8 PHE HE1 H 1 6.901 0.03 . 1 . . . . . . . . 7259 1 75 . 1 1 8 8 PHE HE2 H 1 6.901 0.03 . 1 . . . . . . . . 7259 1 76 . 1 1 8 8 PHE CA C 13 53.953 0.3 . 1 . . . . . . . . 7259 1 77 . 1 1 8 8 PHE CB C 13 37.625 0.3 . 1 . . . . . . . . 7259 1 78 . 1 1 8 8 PHE CD1 C 13 132.770 0.3 . 1 . . . . . . . . 7259 1 79 . 1 1 8 8 PHE CD2 C 13 132.770 0.3 . 1 . . . . . . . . 7259 1 80 . 1 1 8 8 PHE CE1 C 13 130.850 0.3 . 1 . . . . . . . . 7259 1 81 . 1 1 8 8 PHE CE2 C 13 130.850 0.3 . 1 . . . . . . . . 7259 1 82 . 1 1 8 8 PHE N N 15 117.886 0.3 . 2 . . . . . . . . 7259 1 83 . 1 1 9 9 PRO HA H 1 4.285 0.03 . 1 . . . . . . . . 7259 1 84 . 1 1 9 9 PRO HB2 H 1 2.070 0.03 . 2 . . . . . . . . 7259 1 85 . 1 1 9 9 PRO HB3 H 1 2.300 0.03 . 2 . . . . . . . . 7259 1 86 . 1 1 9 9 PRO HG2 H 1 1.996 0.03 . 1 . . . . . . . . 7259 1 87 . 1 1 9 9 PRO HG3 H 1 1.996 0.03 . 1 . . . . . . . . 7259 1 88 . 1 1 9 9 PRO C C 13 178.158 0.3 . 1 . . . . . . . . 7259 1 89 . 1 1 9 9 PRO CA C 13 63.864 0.3 . 1 . . . . . . . . 7259 1 90 . 1 1 9 9 PRO CB C 13 31.877 0.3 . 1 . . . . . . . . 7259 1 91 . 1 1 9 9 PRO CG C 13 27.512 0.3 . 1 . . . . . . . . 7259 1 92 . 1 1 9 9 PRO N N 15 135.397 0.3 . 1 . . . . . . . . 7259 1 93 . 1 1 10 10 GLY H H 1 8.890 0.03 . 1 . . . . . . . . 7259 1 94 . 1 1 10 10 GLY HA2 H 1 4.041 0.03 . 2 . . . . . . . . 7259 1 95 . 1 1 10 10 GLY HA3 H 1 3.956 0.03 . 2 . . . . . . . . 7259 1 96 . 1 1 10 10 GLY C C 13 173.591 0.3 . 1 . . . . . . . . 7259 1 97 . 1 1 10 10 GLY CA C 13 45.392 0.3 . 1 . . . . . . . . 7259 1 98 . 1 1 10 10 GLY N N 15 109.437 0.3 . 1 . . . . . . . . 7259 1 99 . 1 1 11 11 VAL H H 1 7.518 0.03 . 1 . . . . . . . . 7259 1 100 . 1 1 11 11 VAL HA H 1 4.523 0.03 . 1 . . . . . . . . 7259 1 101 . 1 1 11 11 VAL HB H 1 2.217 0.03 . 1 . . . . . . . . 7259 1 102 . 1 1 11 11 VAL HG11 H 1 0.833 0.03 . 2 . . . . . . . . 7259 1 103 . 1 1 11 11 VAL HG12 H 1 0.833 0.03 . 2 . . . . . . . . 7259 1 104 . 1 1 11 11 VAL HG13 H 1 0.833 0.03 . 2 . . . . . . . . 7259 1 105 . 1 1 11 11 VAL HG21 H 1 0.515 0.03 . 2 . . . . . . . . 7259 1 106 . 1 1 11 11 VAL HG22 H 1 0.515 0.03 . 2 . . . . . . . . 7259 1 107 . 1 1 11 11 VAL HG23 H 1 0.515 0.03 . 2 . . . . . . . . 7259 1 108 . 1 1 11 11 VAL C C 13 175.525 0.3 . 1 . . . . . . . . 7259 1 109 . 1 1 11 11 VAL CA C 13 61.623 0.3 . 1 . . . . . . . . 7259 1 110 . 1 1 11 11 VAL CB C 13 33.043 0.3 . 1 . . . . . . . . 7259 1 111 . 1 1 11 11 VAL CG1 C 13 20.912 0.3 . 1 . . . . . . . . 7259 1 112 . 1 1 11 11 VAL CG2 C 13 20.056 0.3 . 1 . . . . . . . . 7259 1 113 . 1 1 11 11 VAL N N 15 120.707 0.3 . 1 . . . . . . . . 7259 1 114 . 1 1 12 12 ALA H H 1 9.966 0.03 . 1 . . . . . . . . 7259 1 115 . 1 1 12 12 ALA HB1 H 1 1.469 0.03 . 1 . . . . . . . . 7259 1 116 . 1 1 12 12 ALA HB2 H 1 1.469 0.03 . 1 . . . . . . . . 7259 1 117 . 1 1 12 12 ALA HB3 H 1 1.469 0.03 . 1 . . . . . . . . 7259 1 118 . 1 1 12 12 ALA C C 13 175.497 0.3 . 1 . . . . . . . . 7259 1 119 . 1 1 12 12 ALA CA C 13 52.078 0.3 . 1 . . . . . . . . 7259 1 120 . 1 1 12 12 ALA CB C 13 20.307 0.3 . 1 . . . . . . . . 7259 1 121 . 1 1 12 12 ALA N N 15 135.199 0.3 . 1 . . . . . . . . 7259 1 122 . 1 1 13 13 ILE H H 1 8.875 0.03 . 1 . . . . . . . . 7259 1 123 . 1 1 13 13 ILE HA H 1 5.253 0.03 . 1 . . . . . . . . 7259 1 124 . 1 1 13 13 ILE HB H 1 1.898 0.03 . 1 . . . . . . . . 7259 1 125 . 1 1 13 13 ILE HG12 H 1 1.778 0.03 . 1 . . . . . . . . 7259 1 126 . 1 1 13 13 ILE HG13 H 1 1.778 0.03 . 1 . . . . . . . . 7259 1 127 . 1 1 13 13 ILE HG21 H 1 0.901 0.03 . 1 . . . . . . . . 7259 1 128 . 1 1 13 13 ILE HG22 H 1 0.901 0.03 . 1 . . . . . . . . 7259 1 129 . 1 1 13 13 ILE HG23 H 1 0.901 0.03 . 1 . . . . . . . . 7259 1 130 . 1 1 13 13 ILE HD11 H 1 0.809 0.03 . 1 . . . . . . . . 7259 1 131 . 1 1 13 13 ILE HD12 H 1 0.809 0.03 . 1 . . . . . . . . 7259 1 132 . 1 1 13 13 ILE HD13 H 1 0.809 0.03 . 1 . . . . . . . . 7259 1 133 . 1 1 13 13 ILE C C 13 174.163 0.3 . 1 . . . . . . . . 7259 1 134 . 1 1 13 13 ILE CA C 13 60.528 0.3 . 1 . . . . . . . . 7259 1 135 . 1 1 13 13 ILE CB C 13 40.884 0.3 . 1 . . . . . . . . 7259 1 136 . 1 1 13 13 ILE CG1 C 13 29.122 0.3 . 1 . . . . . . . . 7259 1 137 . 1 1 13 13 ILE CG2 C 13 18.262 0.3 . 1 . . . . . . . . 7259 1 138 . 1 1 13 13 ILE CD1 C 13 14.980 0.3 . 1 . . . . . . . . 7259 1 139 . 1 1 13 13 ILE N N 15 126.065 0.3 . 1 . . . . . . . . 7259 1 140 . 1 1 14 14 TYR H H 1 9.084 0.03 . 1 . . . . . . . . 7259 1 141 . 1 1 14 14 TYR HA H 1 4.921 0.03 . 1 . . . . . . . . 7259 1 142 . 1 1 14 14 TYR HB2 H 1 2.873 0.03 . 1 . . . . . . . . 7259 1 143 . 1 1 14 14 TYR HB3 H 1 2.873 0.03 . 1 . . . . . . . . 7259 1 144 . 1 1 14 14 TYR HD1 H 1 7.007 0.03 . 1 . . . . . . . . 7259 1 145 . 1 1 14 14 TYR HD2 H 1 7.007 0.03 . 1 . . . . . . . . 7259 1 146 . 1 1 14 14 TYR HE1 H 1 6.776 0.03 . 1 . . . . . . . . 7259 1 147 . 1 1 14 14 TYR HE2 H 1 6.776 0.03 . 1 . . . . . . . . 7259 1 148 . 1 1 14 14 TYR C C 13 172.555 0.3 . 1 . . . . . . . . 7259 1 149 . 1 1 14 14 TYR CA C 13 57.616 0.3 . 1 . . . . . . . . 7259 1 150 . 1 1 14 14 TYR CB C 13 42.981 0.3 . 1 . . . . . . . . 7259 1 151 . 1 1 14 14 TYR CD1 C 13 132.836 0.3 . 1 . . . . . . . . 7259 1 152 . 1 1 14 14 TYR CD2 C 13 132.836 0.3 . 1 . . . . . . . . 7259 1 153 . 1 1 14 14 TYR CE1 C 13 118.749 0.3 . 1 . . . . . . . . 7259 1 154 . 1 1 14 14 TYR CE2 C 13 118.749 0.3 . 1 . . . . . . . . 7259 1 155 . 1 1 14 14 TYR N N 15 126.446 0.3 . 1 . . . . . . . . 7259 1 156 . 1 1 15 15 LEU H H 1 8.751 0.03 . 1 . . . . . . . . 7259 1 157 . 1 1 15 15 LEU HA H 1 4.555 0.03 . 1 . . . . . . . . 7259 1 158 . 1 1 15 15 LEU HB2 H 1 1.421 0.03 . 1 . . . . . . . . 7259 1 159 . 1 1 15 15 LEU HB3 H 1 1.421 0.03 . 1 . . . . . . . . 7259 1 160 . 1 1 15 15 LEU HG H 1 1.003 0.03 . 1 . . . . . . . . 7259 1 161 . 1 1 15 15 LEU HD11 H 1 0.691 0.03 . 1 . . . . . . . . 7259 1 162 . 1 1 15 15 LEU HD12 H 1 0.691 0.03 . 1 . . . . . . . . 7259 1 163 . 1 1 15 15 LEU HD13 H 1 0.691 0.03 . 1 . . . . . . . . 7259 1 164 . 1 1 15 15 LEU HD21 H 1 0.691 0.03 . 1 . . . . . . . . 7259 1 165 . 1 1 15 15 LEU HD22 H 1 0.691 0.03 . 1 . . . . . . . . 7259 1 166 . 1 1 15 15 LEU HD23 H 1 0.691 0.03 . 1 . . . . . . . . 7259 1 167 . 1 1 15 15 LEU C C 13 174.707 0.3 . 1 . . . . . . . . 7259 1 168 . 1 1 15 15 LEU CA C 13 53.611 0.3 . 1 . . . . . . . . 7259 1 169 . 1 1 15 15 LEU CB C 13 42.283 0.3 . 1 . . . . . . . . 7259 1 170 . 1 1 15 15 LEU CD1 C 13 25.932 0.3 . 1 . . . . . . . . 7259 1 171 . 1 1 15 15 LEU CD2 C 13 25.932 0.3 . 1 . . . . . . . . 7259 1 172 . 1 1 15 15 LEU N N 15 129.091 0.3 . 1 . . . . . . . . 7259 1 173 . 1 1 16 16 VAL H H 1 8.243 0.03 . 1 . . . . . . . . 7259 1 174 . 1 1 16 16 VAL HA H 1 3.659 0.03 . 1 . . . . . . . . 7259 1 175 . 1 1 16 16 VAL HB H 1 1.910 0.03 . 1 . . . . . . . . 7259 1 176 . 1 1 16 16 VAL HG11 H 1 0.362 0.03 . 2 . . . . . . . . 7259 1 177 . 1 1 16 16 VAL HG12 H 1 0.362 0.03 . 2 . . . . . . . . 7259 1 178 . 1 1 16 16 VAL HG13 H 1 0.362 0.03 . 2 . . . . . . . . 7259 1 179 . 1 1 16 16 VAL HG21 H 1 0.812 0.03 . 2 . . . . . . . . 7259 1 180 . 1 1 16 16 VAL HG22 H 1 0.812 0.03 . 2 . . . . . . . . 7259 1 181 . 1 1 16 16 VAL HG23 H 1 0.812 0.03 . 2 . . . . . . . . 7259 1 182 . 1 1 16 16 VAL C C 13 175.346 0.3 . 1 . . . . . . . . 7259 1 183 . 1 1 16 16 VAL CA C 13 63.392 0.3 . 1 . . . . . . . . 7259 1 184 . 1 1 16 16 VAL CB C 13 31.829 0.3 . 1 . . . . . . . . 7259 1 185 . 1 1 16 16 VAL CG1 C 13 23.191 0.3 . 2 . . . . . . . . 7259 1 186 . 1 1 16 16 VAL CG2 C 13 21.611 0.3 . 2 . . . . . . . . 7259 1 187 . 1 1 16 16 VAL N N 15 125.188 0.3 . 1 . . . . . . . . 7259 1 188 . 1 1 17 17 GLU H H 1 9.009 0.03 . 1 . . . . . . . . 7259 1 189 . 1 1 17 17 GLU CA C 13 61.434 0.3 . 1 . . . . . . . . 7259 1 190 . 1 1 17 17 GLU CB C 13 28.990 0.3 . 1 . . . . . . . . 7259 1 191 . 1 1 17 17 GLU N N 15 127.844 0.3 . 1 . . . . . . . . 7259 1 192 . 1 1 18 18 PRO HA H 1 4.334 0.03 . 1 . . . . . . . . 7259 1 193 . 1 1 18 18 PRO HB2 H 1 1.799 0.03 . 2 . . . . . . . . 7259 1 194 . 1 1 18 18 PRO HB3 H 1 2.316 0.03 . 2 . . . . . . . . 7259 1 195 . 1 1 18 18 PRO HG2 H 1 2.161 0.03 . 1 . . . . . . . . 7259 1 196 . 1 1 18 18 PRO HG3 H 1 2.161 0.03 . 1 . . . . . . . . 7259 1 197 . 1 1 18 18 PRO C C 13 177.283 0.3 . 1 . . . . . . . . 7259 1 198 . 1 1 18 18 PRO CA C 13 66.188 0.3 . 1 . . . . . . . . 7259 1 199 . 1 1 18 18 PRO CB C 13 30.301 0.3 . 1 . . . . . . . . 7259 1 200 . 1 1 18 18 PRO CG C 13 28.345 0.3 . 1 . . . . . . . . 7259 1 201 . 1 1 19 19 ARG H H 1 8.595 0.03 . 1 . . . . . . . . 7259 1 202 . 1 1 19 19 ARG C C 13 174.924 0.3 . 1 . . . . . . . . 7259 1 203 . 1 1 19 19 ARG CA C 13 60.448 0.3 . 1 . . . . . . . . 7259 1 204 . 1 1 19 19 ARG CB C 13 28.202 0.3 . 1 . . . . . . . . 7259 1 205 . 1 1 19 19 ARG CD C 13 42.762 0.3 . 1 . . . . . . . . 7259 1 206 . 1 1 19 19 ARG N N 15 117.613 0.3 . 1 . . . . . . . . 7259 1 207 . 1 1 20 20 MET H H 1 8.052 0.03 . 1 . . . . . . . . 7259 1 208 . 1 1 20 20 MET HA H 1 4.459 0.03 . 1 . . . . . . . . 7259 1 209 . 1 1 20 20 MET HB2 H 1 2.374 0.03 . 1 . . . . . . . . 7259 1 210 . 1 1 20 20 MET HB3 H 1 2.374 0.03 . 1 . . . . . . . . 7259 1 211 . 1 1 20 20 MET HG2 H 1 2.797 0.03 . 1 . . . . . . . . 7259 1 212 . 1 1 20 20 MET HG3 H 1 2.797 0.03 . 1 . . . . . . . . 7259 1 213 . 1 1 20 20 MET HE1 H 1 1.895 0.03 . 1 . . . . . . . . 7259 1 214 . 1 1 20 20 MET HE2 H 1 1.895 0.03 . 1 . . . . . . . . 7259 1 215 . 1 1 20 20 MET HE3 H 1 1.895 0.03 . 1 . . . . . . . . 7259 1 216 . 1 1 20 20 MET C C 13 177.474 0.3 . 1 . . . . . . . . 7259 1 217 . 1 1 20 20 MET CA C 13 57.504 0.3 . 1 . . . . . . . . 7259 1 218 . 1 1 20 20 MET CB C 13 35.767 0.3 . 1 . . . . . . . . 7259 1 219 . 1 1 20 20 MET CG C 13 30.887 0.3 . 1 . . . . . . . . 7259 1 220 . 1 1 20 20 MET CE C 13 15.413 0.3 . 1 . . . . . . . . 7259 1 221 . 1 1 20 20 MET N N 15 121.335 0.3 . 1 . . . . . . . . 7259 1 222 . 1 1 21 21 GLY H H 1 8.687 0.03 . 1 . . . . . . . . 7259 1 223 . 1 1 21 21 GLY HA2 H 1 3.805 0.03 . 2 . . . . . . . . 7259 1 224 . 1 1 21 21 GLY HA3 H 1 4.568 0.03 . 2 . . . . . . . . 7259 1 225 . 1 1 21 21 GLY C C 13 173.969 0.3 . 1 . . . . . . . . 7259 1 226 . 1 1 21 21 GLY CA C 13 43.949 0.3 . 1 . . . . . . . . 7259 1 227 . 1 1 21 21 GLY N N 15 106.781 0.3 . 1 . . . . . . . . 7259 1 228 . 1 1 22 22 ARG H H 1 8.617 0.03 . 1 . . . . . . . . 7259 1 229 . 1 1 22 22 ARG HA H 1 3.896 0.03 . 1 . . . . . . . . 7259 1 230 . 1 1 22 22 ARG HB2 H 1 1.868 0.03 . 2 . . . . . . . . 7259 1 231 . 1 1 22 22 ARG HB3 H 1 1.946 0.03 . 2 . . . . . . . . 7259 1 232 . 1 1 22 22 ARG HG2 H 1 1.647 0.03 . 2 . . . . . . . . 7259 1 233 . 1 1 22 22 ARG HG3 H 1 1.741 0.03 . 2 . . . . . . . . 7259 1 234 . 1 1 22 22 ARG HD2 H 1 3.269 0.03 . 1 . . . . . . . . 7259 1 235 . 1 1 22 22 ARG HD3 H 1 3.269 0.03 . 1 . . . . . . . . 7259 1 236 . 1 1 22 22 ARG CA C 13 60.492 0.3 . 1 . . . . . . . . 7259 1 237 . 1 1 22 22 ARG CG C 13 27.167 0.3 . 1 . . . . . . . . 7259 1 238 . 1 1 22 22 ARG CD C 13 43.392 0.3 . 1 . . . . . . . . 7259 1 239 . 1 1 22 22 ARG N N 15 122.981 0.3 . 1 . . . . . . . . 7259 1 240 . 1 1 23 23 SER HA H 1 4.297 0.03 . 1 . . . . . . . . 7259 1 241 . 1 1 23 23 SER HB2 H 1 3.919 0.03 . 1 . . . . . . . . 7259 1 242 . 1 1 23 23 SER HB3 H 1 3.919 0.03 . 1 . . . . . . . . 7259 1 243 . 1 1 23 23 SER C C 13 177.455 0.3 . 1 . . . . . . . . 7259 1 244 . 1 1 23 23 SER CA C 13 61.953 0.3 . 1 . . . . . . . . 7259 1 245 . 1 1 23 23 SER CB C 13 61.894 0.3 . 1 . . . . . . . . 7259 1 246 . 1 1 24 24 ARG H H 1 8.662 0.03 . 1 . . . . . . . . 7259 1 247 . 1 1 24 24 ARG HA H 1 4.244 0.03 . 1 . . . . . . . . 7259 1 248 . 1 1 24 24 ARG HB2 H 1 1.833 0.03 . 1 . . . . . . . . 7259 1 249 . 1 1 24 24 ARG HB3 H 1 1.833 0.03 . 1 . . . . . . . . 7259 1 250 . 1 1 24 24 ARG HG2 H 1 1.524 0.03 . 1 . . . . . . . . 7259 1 251 . 1 1 24 24 ARG HG3 H 1 1.524 0.03 . 1 . . . . . . . . 7259 1 252 . 1 1 24 24 ARG HD2 H 1 3.237 0.03 . 1 . . . . . . . . 7259 1 253 . 1 1 24 24 ARG HD3 H 1 3.237 0.03 . 1 . . . . . . . . 7259 1 254 . 1 1 24 24 ARG HE H 1 9.858 0.03 . 1 . . . . . . . . 7259 1 255 . 1 1 24 24 ARG C C 13 177.428 0.3 . 1 . . . . . . . . 7259 1 256 . 1 1 24 24 ARG CA C 13 58.932 0.3 . 1 . . . . . . . . 7259 1 257 . 1 1 24 24 ARG CB C 13 29.561 0.3 . 1 . . . . . . . . 7259 1 258 . 1 1 24 24 ARG CG C 13 26.911 0.3 . 1 . . . . . . . . 7259 1 259 . 1 1 24 24 ARG CD C 13 42.843 0.3 . 1 . . . . . . . . 7259 1 260 . 1 1 24 24 ARG N N 15 126.430 0.3 . 1 . . . . . . . . 7259 1 261 . 1 1 24 24 ARG NE N 15 118.778 0.3 . 1 . . . . . . . . 7259 1 262 . 1 1 25 25 ARG H H 1 8.351 0.03 . 1 . . . . . . . . 7259 1 263 . 1 1 25 25 ARG HA H 1 4.010 0.03 . 1 . . . . . . . . 7259 1 264 . 1 1 25 25 ARG HB2 H 1 1.516 0.03 . 1 . . . . . . . . 7259 1 265 . 1 1 25 25 ARG HB3 H 1 1.516 0.03 . 1 . . . . . . . . 7259 1 266 . 1 1 25 25 ARG HG2 H 1 1.356 0.03 . 1 . . . . . . . . 7259 1 267 . 1 1 25 25 ARG HG3 H 1 1.356 0.03 . 1 . . . . . . . . 7259 1 268 . 1 1 25 25 ARG HD2 H 1 3.302 0.03 . 1 . . . . . . . . 7259 1 269 . 1 1 25 25 ARG HD3 H 1 3.302 0.03 . 1 . . . . . . . . 7259 1 270 . 1 1 25 25 ARG C C 13 179.930 0.3 . 1 . . . . . . . . 7259 1 271 . 1 1 25 25 ARG CA C 13 60.024 0.3 . 1 . . . . . . . . 7259 1 272 . 1 1 25 25 ARG CB C 13 30.606 0.3 . 1 . . . . . . . . 7259 1 273 . 1 1 25 25 ARG CG C 13 27.565 0.3 . 1 . . . . . . . . 7259 1 274 . 1 1 25 25 ARG CD C 13 43.639 0.3 . 1 . . . . . . . . 7259 1 275 . 1 1 25 25 ARG N N 15 119.568 0.3 . 1 . . . . . . . . 7259 1 276 . 1 1 26 26 ALA H H 1 8.296 0.03 . 1 . . . . . . . . 7259 1 277 . 1 1 26 26 ALA HA H 1 4.223 0.03 . 1 . . . . . . . . 7259 1 278 . 1 1 26 26 ALA HB1 H 1 1.590 0.03 . 1 . . . . . . . . 7259 1 279 . 1 1 26 26 ALA HB2 H 1 1.590 0.03 . 1 . . . . . . . . 7259 1 280 . 1 1 26 26 ALA HB3 H 1 1.590 0.03 . 1 . . . . . . . . 7259 1 281 . 1 1 26 26 ALA C C 13 180.424 0.3 . 1 . . . . . . . . 7259 1 282 . 1 1 26 26 ALA CA C 13 55.541 0.3 . 1 . . . . . . . . 7259 1 283 . 1 1 26 26 ALA CB C 13 17.841 0.3 . 1 . . . . . . . . 7259 1 284 . 1 1 26 26 ALA N N 15 124.598 0.3 . 1 . . . . . . . . 7259 1 285 . 1 1 27 27 PHE H H 1 8.413 0.03 . 1 . . . . . . . . 7259 1 286 . 1 1 27 27 PHE HA H 1 4.340 0.03 . 1 . . . . . . . . 7259 1 287 . 1 1 27 27 PHE HB2 H 1 3.265 0.03 . 2 . . . . . . . . 7259 1 288 . 1 1 27 27 PHE HB3 H 1 3.411 0.03 . 2 . . . . . . . . 7259 1 289 . 1 1 27 27 PHE HD1 H 1 7.215 0.03 . 1 . . . . . . . . 7259 1 290 . 1 1 27 27 PHE HD2 H 1 7.215 0.03 . 1 . . . . . . . . 7259 1 291 . 1 1 27 27 PHE HE1 H 1 7.323 0.03 . 1 . . . . . . . . 7259 1 292 . 1 1 27 27 PHE HE2 H 1 7.323 0.03 . 1 . . . . . . . . 7259 1 293 . 1 1 27 27 PHE C C 13 178.462 0.3 . 1 . . . . . . . . 7259 1 294 . 1 1 27 27 PHE CA C 13 60.843 0.3 . 1 . . . . . . . . 7259 1 295 . 1 1 27 27 PHE CB C 13 39.230 0.3 . 1 . . . . . . . . 7259 1 296 . 1 1 27 27 PHE CD1 C 13 131.798 0.3 . 1 . . . . . . . . 7259 1 297 . 1 1 27 27 PHE CD2 C 13 131.798 0.3 . 1 . . . . . . . . 7259 1 298 . 1 1 27 27 PHE CE1 C 13 131.646 0.3 . 1 . . . . . . . . 7259 1 299 . 1 1 27 27 PHE CE2 C 13 131.646 0.3 . 1 . . . . . . . . 7259 1 300 . 1 1 27 27 PHE N N 15 122.470 0.3 . 1 . . . . . . . . 7259 1 301 . 1 1 28 28 LEU H H 1 8.947 0.03 . 1 . . . . . . . . 7259 1 302 . 1 1 28 28 LEU HA H 1 3.628 0.03 . 1 . . . . . . . . 7259 1 303 . 1 1 28 28 LEU HB2 H 1 1.855 0.03 . 1 . . . . . . . . 7259 1 304 . 1 1 28 28 LEU HB3 H 1 1.855 0.03 . 1 . . . . . . . . 7259 1 305 . 1 1 28 28 LEU HG H 1 0.845 0.03 . 1 . . . . . . . . 7259 1 306 . 1 1 28 28 LEU HD11 H 1 0.768 0.03 . 2 . . . . . . . . 7259 1 307 . 1 1 28 28 LEU HD12 H 1 0.768 0.03 . 2 . . . . . . . . 7259 1 308 . 1 1 28 28 LEU HD13 H 1 0.768 0.03 . 2 . . . . . . . . 7259 1 309 . 1 1 28 28 LEU HD21 H 1 1.017 0.03 . 2 . . . . . . . . 7259 1 310 . 1 1 28 28 LEU HD22 H 1 1.017 0.03 . 2 . . . . . . . . 7259 1 311 . 1 1 28 28 LEU HD23 H 1 1.017 0.03 . 2 . . . . . . . . 7259 1 312 . 1 1 28 28 LEU C C 13 178.766 0.3 . 1 . . . . . . . . 7259 1 313 . 1 1 28 28 LEU CA C 13 57.456 0.3 . 1 . . . . . . . . 7259 1 314 . 1 1 28 28 LEU CB C 13 42.970 0.3 . 1 . . . . . . . . 7259 1 315 . 1 1 28 28 LEU CG C 13 26.956 0.3 . 1 . . . . . . . . 7259 1 316 . 1 1 28 28 LEU CD1 C 13 21.684 0.3 . 1 . . . . . . . . 7259 1 317 . 1 1 28 28 LEU CD2 C 13 21.684 0.3 . 1 . . . . . . . . 7259 1 318 . 1 1 28 28 LEU N N 15 120.197 0.3 . 1 . . . . . . . . 7259 1 319 . 1 1 29 29 THR H H 1 8.104 0.03 . 1 . . . . . . . . 7259 1 320 . 1 1 29 29 THR HA H 1 3.601 0.03 . 1 . . . . . . . . 7259 1 321 . 1 1 29 29 THR HG21 H 1 1.116 0.03 . 1 . . . . . . . . 7259 1 322 . 1 1 29 29 THR HG22 H 1 1.116 0.03 . 1 . . . . . . . . 7259 1 323 . 1 1 29 29 THR HG23 H 1 1.116 0.03 . 1 . . . . . . . . 7259 1 324 . 1 1 29 29 THR C C 13 175.874 0.3 . 1 . . . . . . . . 7259 1 325 . 1 1 29 29 THR CA C 13 68.261 0.3 . 1 . . . . . . . . 7259 1 326 . 1 1 29 29 THR CG2 C 13 20.016 0.3 . 1 . . . . . . . . 7259 1 327 . 1 1 29 29 THR N N 15 116.597 0.3 . 1 . . . . . . . . 7259 1 328 . 1 1 30 30 GLY H H 1 7.901 0.03 . 1 . . . . . . . . 7259 1 329 . 1 1 30 30 GLY HA2 H 1 3.795 0.03 . 2 . . . . . . . . 7259 1 330 . 1 1 30 30 GLY HA3 H 1 3.973 0.03 . 2 . . . . . . . . 7259 1 331 . 1 1 30 30 GLY C C 13 177.075 0.3 . 1 . . . . . . . . 7259 1 332 . 1 1 30 30 GLY CA C 13 47.233 0.3 . 1 . . . . . . . . 7259 1 333 . 1 1 30 30 GLY N N 15 107.851 0.3 . 1 . . . . . . . . 7259 1 334 . 1 1 31 31 LEU H H 1 7.824 0.03 . 1 . . . . . . . . 7259 1 335 . 1 1 31 31 LEU HA H 1 3.991 0.03 . 1 . . . . . . . . 7259 1 336 . 1 1 31 31 LEU HB2 H 1 1.315 0.03 . 1 . . . . . . . . 7259 1 337 . 1 1 31 31 LEU HB3 H 1 1.315 0.03 . 1 . . . . . . . . 7259 1 338 . 1 1 31 31 LEU HG H 1 1.251 0.03 . 1 . . . . . . . . 7259 1 339 . 1 1 31 31 LEU HD11 H 1 0.697 0.03 . 1 . . . . . . . . 7259 1 340 . 1 1 31 31 LEU HD12 H 1 0.697 0.03 . 1 . . . . . . . . 7259 1 341 . 1 1 31 31 LEU HD13 H 1 0.697 0.03 . 1 . . . . . . . . 7259 1 342 . 1 1 31 31 LEU HD21 H 1 0.697 0.03 . 1 . . . . . . . . 7259 1 343 . 1 1 31 31 LEU HD22 H 1 0.697 0.03 . 1 . . . . . . . . 7259 1 344 . 1 1 31 31 LEU HD23 H 1 0.697 0.03 . 1 . . . . . . . . 7259 1 345 . 1 1 31 31 LEU C C 13 179.980 0.3 . 1 . . . . . . . . 7259 1 346 . 1 1 31 31 LEU CA C 13 57.258 0.3 . 1 . . . . . . . . 7259 1 347 . 1 1 31 31 LEU CB C 13 42.162 0.3 . 1 . . . . . . . . 7259 1 348 . 1 1 31 31 LEU CG C 13 26.803 0.3 . 1 . . . . . . . . 7259 1 349 . 1 1 31 31 LEU CD1 C 13 23.913 0.3 . 1 . . . . . . . . 7259 1 350 . 1 1 31 31 LEU CD2 C 13 23.913 0.3 . 1 . . . . . . . . 7259 1 351 . 1 1 31 31 LEU N N 15 123.732 0.3 . 1 . . . . . . . . 7259 1 352 . 1 1 32 32 ALA H H 1 8.717 0.03 . 1 . . . . . . . . 7259 1 353 . 1 1 32 32 ALA HA H 1 3.688 0.03 . 1 . . . . . . . . 7259 1 354 . 1 1 32 32 ALA HB1 H 1 1.235 0.03 . 1 . . . . . . . . 7259 1 355 . 1 1 32 32 ALA HB2 H 1 1.235 0.03 . 1 . . . . . . . . 7259 1 356 . 1 1 32 32 ALA HB3 H 1 1.235 0.03 . 1 . . . . . . . . 7259 1 357 . 1 1 32 32 ALA C C 13 180.513 0.3 . 1 . . . . . . . . 7259 1 358 . 1 1 32 32 ALA CA C 13 55.040 0.3 . 1 . . . . . . . . 7259 1 359 . 1 1 32 32 ALA CB C 13 17.221 0.3 . 1 . . . . . . . . 7259 1 360 . 1 1 32 32 ALA N N 15 121.501 0.3 . 1 . . . . . . . . 7259 1 361 . 1 1 33 33 ARG H H 1 8.785 0.03 . 1 . . . . . . . . 7259 1 362 . 1 1 33 33 ARG HA H 1 4.636 0.03 . 1 . . . . . . . . 7259 1 363 . 1 1 33 33 ARG HB2 H 1 2.053 0.03 . 1 . . . . . . . . 7259 1 364 . 1 1 33 33 ARG HB3 H 1 2.053 0.03 . 1 . . . . . . . . 7259 1 365 . 1 1 33 33 ARG HG2 H 1 1.913 0.03 . 1 . . . . . . . . 7259 1 366 . 1 1 33 33 ARG HG3 H 1 1.913 0.03 . 1 . . . . . . . . 7259 1 367 . 1 1 33 33 ARG HD2 H 1 3.185 0.03 . 1 . . . . . . . . 7259 1 368 . 1 1 33 33 ARG HD3 H 1 3.185 0.03 . 1 . . . . . . . . 7259 1 369 . 1 1 33 33 ARG C C 13 181.450 0.3 . 1 . . . . . . . . 7259 1 370 . 1 1 33 33 ARG CA C 13 60.021 0.3 . 1 . . . . . . . . 7259 1 371 . 1 1 33 33 ARG CB C 13 29.708 0.3 . 1 . . . . . . . . 7259 1 372 . 1 1 33 33 ARG CG C 13 29.745 0.3 . 1 . . . . . . . . 7259 1 373 . 1 1 33 33 ARG CD C 13 43.710 0.3 . 1 . . . . . . . . 7259 1 374 . 1 1 33 33 ARG N N 15 119.204 0.3 . 1 . . . . . . . . 7259 1 375 . 1 1 34 34 SER H H 1 8.245 0.03 . 1 . . . . . . . . 7259 1 376 . 1 1 34 34 SER HA H 1 4.369 0.03 . 1 . . . . . . . . 7259 1 377 . 1 1 34 34 SER HB2 H 1 4.066 0.03 . 1 . . . . . . . . 7259 1 378 . 1 1 34 34 SER HB3 H 1 4.066 0.03 . 1 . . . . . . . . 7259 1 379 . 1 1 34 34 SER C C 13 175.275 0.3 . 1 . . . . . . . . 7259 1 380 . 1 1 34 34 SER CA C 13 61.717 0.3 . 1 . . . . . . . . 7259 1 381 . 1 1 34 34 SER CB C 13 62.659 0.3 . 1 . . . . . . . . 7259 1 382 . 1 1 34 34 SER N N 15 117.470 0.3 . 1 . . . . . . . . 7259 1 383 . 1 1 35 35 LYS H H 1 7.319 0.03 . 1 . . . . . . . . 7259 1 384 . 1 1 35 35 LYS HA H 1 4.538 0.03 . 1 . . . . . . . . 7259 1 385 . 1 1 35 35 LYS HB2 H 1 2.211 0.03 . 1 . . . . . . . . 7259 1 386 . 1 1 35 35 LYS HB3 H 1 2.211 0.03 . 1 . . . . . . . . 7259 1 387 . 1 1 35 35 LYS HG2 H 1 1.547 0.03 . 1 . . . . . . . . 7259 1 388 . 1 1 35 35 LYS HG3 H 1 1.547 0.03 . 1 . . . . . . . . 7259 1 389 . 1 1 35 35 LYS HD2 H 1 1.738 0.03 . 1 . . . . . . . . 7259 1 390 . 1 1 35 35 LYS HD3 H 1 1.738 0.03 . 1 . . . . . . . . 7259 1 391 . 1 1 35 35 LYS HE2 H 1 2.822 0.03 . 2 . . . . . . . . 7259 1 392 . 1 1 35 35 LYS HE3 H 1 3.040 0.03 . 2 . . . . . . . . 7259 1 393 . 1 1 35 35 LYS C C 13 175.723 0.3 . 1 . . . . . . . . 7259 1 394 . 1 1 35 35 LYS CA C 13 55.580 0.3 . 1 . . . . . . . . 7259 1 395 . 1 1 35 35 LYS CB C 13 33.106 0.3 . 1 . . . . . . . . 7259 1 396 . 1 1 35 35 LYS CG C 13 25.860 0.3 . 1 . . . . . . . . 7259 1 397 . 1 1 35 35 LYS CD C 13 29.402 0.3 . 1 . . . . . . . . 7259 1 398 . 1 1 35 35 LYS CE C 13 42.312 0.3 . 1 . . . . . . . . 7259 1 399 . 1 1 35 35 LYS N N 15 119.910 0.3 . 1 . . . . . . . . 7259 1 400 . 1 1 36 36 GLY H H 1 7.880 0.03 . 1 . . . . . . . . 7259 1 401 . 1 1 36 36 GLY HA2 H 1 3.857 0.03 . 2 . . . . . . . . 7259 1 402 . 1 1 36 36 GLY HA3 H 1 4.141 0.03 . 2 . . . . . . . . 7259 1 403 . 1 1 36 36 GLY C C 13 174.716 0.3 . 1 . . . . . . . . 7259 1 404 . 1 1 36 36 GLY CA C 13 45.411 0.3 . 1 . . . . . . . . 7259 1 405 . 1 1 36 36 GLY N N 15 104.990 0.3 . 1 . . . . . . . . 7259 1 406 . 1 1 37 37 PHE H H 1 8.224 0.03 . 1 . . . . . . . . 7259 1 407 . 1 1 37 37 PHE HA H 1 4.716 0.03 . 1 . . . . . . . . 7259 1 408 . 1 1 37 37 PHE HB2 H 1 2.741 0.03 . 1 . . . . . . . . 7259 1 409 . 1 1 37 37 PHE HB3 H 1 2.741 0.03 . 1 . . . . . . . . 7259 1 410 . 1 1 37 37 PHE HD1 H 1 7.226 0.03 . 1 . . . . . . . . 7259 1 411 . 1 1 37 37 PHE HD2 H 1 7.226 0.03 . 1 . . . . . . . . 7259 1 412 . 1 1 37 37 PHE HE1 H 1 6.558 0.03 . 1 . . . . . . . . 7259 1 413 . 1 1 37 37 PHE HE2 H 1 6.558 0.03 . 1 . . . . . . . . 7259 1 414 . 1 1 37 37 PHE HZ H 1 6.260 0.03 . 1 . . . . . . . . 7259 1 415 . 1 1 37 37 PHE C C 13 174.969 0.3 . 1 . . . . . . . . 7259 1 416 . 1 1 37 37 PHE CA C 13 57.105 0.3 . 1 . . . . . . . . 7259 1 417 . 1 1 37 37 PHE CB C 13 38.809 0.3 . 1 . . . . . . . . 7259 1 418 . 1 1 37 37 PHE CD1 C 13 131.560 0.3 . 1 . . . . . . . . 7259 1 419 . 1 1 37 37 PHE CD2 C 13 131.560 0.3 . 1 . . . . . . . . 7259 1 420 . 1 1 37 37 PHE CE1 C 13 129.774 0.3 . 1 . . . . . . . . 7259 1 421 . 1 1 37 37 PHE CE2 C 13 129.774 0.3 . 1 . . . . . . . . 7259 1 422 . 1 1 37 37 PHE CZ C 13 127.807 0.3 . 1 . . . . . . . . 7259 1 423 . 1 1 37 37 PHE N N 15 119.639 0.3 . 1 . . . . . . . . 7259 1 424 . 1 1 38 38 ARG H H 1 10.119 0.03 . 1 . . . . . . . . 7259 1 425 . 1 1 38 38 ARG HA H 1 4.595 0.03 . 1 . . . . . . . . 7259 1 426 . 1 1 38 38 ARG HB2 H 1 1.767 0.03 . 1 . . . . . . . . 7259 1 427 . 1 1 38 38 ARG HB3 H 1 1.767 0.03 . 1 . . . . . . . . 7259 1 428 . 1 1 38 38 ARG HG2 H 1 1.432 0.03 . 1 . . . . . . . . 7259 1 429 . 1 1 38 38 ARG HG3 H 1 1.432 0.03 . 1 . . . . . . . . 7259 1 430 . 1 1 38 38 ARG HD2 H 1 3.284 0.03 . 1 . . . . . . . . 7259 1 431 . 1 1 38 38 ARG HD3 H 1 3.284 0.03 . 1 . . . . . . . . 7259 1 432 . 1 1 38 38 ARG C C 13 174.462 0.3 . 1 . . . . . . . . 7259 1 433 . 1 1 38 38 ARG CA C 13 55.897 0.3 . 1 . . . . . . . . 7259 1 434 . 1 1 38 38 ARG CB C 13 30.308 0.3 . 1 . . . . . . . . 7259 1 435 . 1 1 38 38 ARG CG C 13 27.876 0.3 . 1 . . . . . . . . 7259 1 436 . 1 1 38 38 ARG CD C 13 44.021 0.3 . 1 . . . . . . . . 7259 1 437 . 1 1 38 38 ARG N N 15 126.055 0.3 . 1 . . . . . . . . 7259 1 438 . 1 1 39 39 VAL H H 1 8.979 0.03 . 1 . . . . . . . . 7259 1 439 . 1 1 39 39 VAL HA H 1 4.983 0.03 . 1 . . . . . . . . 7259 1 440 . 1 1 39 39 VAL HB H 1 1.880 0.03 . 1 . . . . . . . . 7259 1 441 . 1 1 39 39 VAL HG11 H 1 0.881 0.03 . 1 . . . . . . . . 7259 1 442 . 1 1 39 39 VAL HG12 H 1 0.881 0.03 . 1 . . . . . . . . 7259 1 443 . 1 1 39 39 VAL HG13 H 1 0.881 0.03 . 1 . . . . . . . . 7259 1 444 . 1 1 39 39 VAL HG21 H 1 0.881 0.03 . 1 . . . . . . . . 7259 1 445 . 1 1 39 39 VAL HG22 H 1 0.881 0.03 . 1 . . . . . . . . 7259 1 446 . 1 1 39 39 VAL HG23 H 1 0.881 0.03 . 1 . . . . . . . . 7259 1 447 . 1 1 39 39 VAL C C 13 176.239 0.3 . 1 . . . . . . . . 7259 1 448 . 1 1 39 39 VAL CA C 13 60.335 0.3 . 1 . . . . . . . . 7259 1 449 . 1 1 39 39 VAL CB C 13 33.609 0.3 . 1 . . . . . . . . 7259 1 450 . 1 1 39 39 VAL CG1 C 13 22.277 0.3 . 2 . . . . . . . . 7259 1 451 . 1 1 39 39 VAL CG2 C 13 21.459 0.3 . 2 . . . . . . . . 7259 1 452 . 1 1 39 39 VAL N N 15 128.762 0.3 . 1 . . . . . . . . 7259 1 453 . 1 1 40 40 LEU H H 1 9.589 0.03 . 1 . . . . . . . . 7259 1 454 . 1 1 40 40 LEU HA H 1 4.555 0.03 . 1 . . . . . . . . 7259 1 455 . 1 1 40 40 LEU HB2 H 1 1.911 0.03 . 2 . . . . . . . . 7259 1 456 . 1 1 40 40 LEU HB3 H 1 2.134 0.03 . 2 . . . . . . . . 7259 1 457 . 1 1 40 40 LEU HD11 H 1 0.899 0.03 . 1 . . . . . . . . 7259 1 458 . 1 1 40 40 LEU HD12 H 1 0.899 0.03 . 1 . . . . . . . . 7259 1 459 . 1 1 40 40 LEU HD13 H 1 0.899 0.03 . 1 . . . . . . . . 7259 1 460 . 1 1 40 40 LEU HD21 H 1 0.899 0.03 . 1 . . . . . . . . 7259 1 461 . 1 1 40 40 LEU HD22 H 1 0.899 0.03 . 1 . . . . . . . . 7259 1 462 . 1 1 40 40 LEU HD23 H 1 0.899 0.03 . 1 . . . . . . . . 7259 1 463 . 1 1 40 40 LEU C C 13 176.301 0.3 . 1 . . . . . . . . 7259 1 464 . 1 1 40 40 LEU CA C 13 53.611 0.3 . 1 . . . . . . . . 7259 1 465 . 1 1 40 40 LEU CB C 13 42.970 0.3 . 1 . . . . . . . . 7259 1 466 . 1 1 40 40 LEU CG C 13 26.326 0.3 . 1 . . . . . . . . 7259 1 467 . 1 1 40 40 LEU CD1 C 13 22.157 0.3 . 1 . . . . . . . . 7259 1 468 . 1 1 40 40 LEU CD2 C 13 22.157 0.3 . 1 . . . . . . . . 7259 1 469 . 1 1 40 40 LEU N N 15 129.126 0.3 . 1 . . . . . . . . 7259 1 470 . 1 1 41 41 ASP H H 1 8.823 0.03 . 1 . . . . . . . . 7259 1 471 . 1 1 41 41 ASP HA H 1 4.648 0.03 . 1 . . . . . . . . 7259 1 472 . 1 1 41 41 ASP HB2 H 1 2.631 0.03 . 2 . . . . . . . . 7259 1 473 . 1 1 41 41 ASP HB3 H 1 2.897 0.03 . 2 . . . . . . . . 7259 1 474 . 1 1 41 41 ASP C C 13 175.496 0.3 . 1 . . . . . . . . 7259 1 475 . 1 1 41 41 ASP CA C 13 56.515 0.3 . 1 . . . . . . . . 7259 1 476 . 1 1 41 41 ASP CB C 13 41.665 0.3 . 1 . . . . . . . . 7259 1 477 . 1 1 41 41 ASP N N 15 121.632 0.3 . 1 . . . . . . . . 7259 1 478 . 1 1 42 42 ALA H H 1 7.931 0.03 . 1 . . . . . . . . 7259 1 479 . 1 1 42 42 ALA HA H 1 4.759 0.03 . 1 . . . . . . . . 7259 1 480 . 1 1 42 42 ALA HB1 H 1 1.367 0.03 . 1 . . . . . . . . 7259 1 481 . 1 1 42 42 ALA HB2 H 1 1.367 0.03 . 1 . . . . . . . . 7259 1 482 . 1 1 42 42 ALA HB3 H 1 1.367 0.03 . 1 . . . . . . . . 7259 1 483 . 1 1 42 42 ALA CA C 13 50.504 0.3 . 1 . . . . . . . . 7259 1 484 . 1 1 42 42 ALA CB C 13 21.373 0.3 . 1 . . . . . . . . 7259 1 485 . 1 1 42 42 ALA N N 15 120.505 0.3 . 1 . . . . . . . . 7259 1 486 . 1 1 45 45 SER HA H 1 4.283 0.03 . 1 . . . . . . . . 7259 1 487 . 1 1 45 45 SER HB2 H 1 3.928 0.03 . 2 . . . . . . . . 7259 1 488 . 1 1 45 45 SER HB3 H 1 4.112 0.03 . 2 . . . . . . . . 7259 1 489 . 1 1 45 45 SER C C 13 174.308 0.3 . 1 . . . . . . . . 7259 1 490 . 1 1 45 45 SER CA C 13 60.769 0.3 . 1 . . . . . . . . 7259 1 491 . 1 1 45 45 SER CB C 13 63.000 0.3 . 1 . . . . . . . . 7259 1 492 . 1 1 46 46 GLU H H 1 8.223 0.03 . 1 . . . . . . . . 7259 1 493 . 1 1 46 46 GLU HA H 1 4.165 0.03 . 1 . . . . . . . . 7259 1 494 . 1 1 46 46 GLU HB2 H 1 1.843 0.03 . 2 . . . . . . . . 7259 1 495 . 1 1 46 46 GLU HB3 H 1 2.024 0.03 . 2 . . . . . . . . 7259 1 496 . 1 1 46 46 GLU HG2 H 1 2.230 0.03 . 2 . . . . . . . . 7259 1 497 . 1 1 46 46 GLU HG3 H 1 2.311 0.03 . 2 . . . . . . . . 7259 1 498 . 1 1 46 46 GLU C C 13 176.296 0.3 . 1 . . . . . . . . 7259 1 499 . 1 1 46 46 GLU CA C 13 56.935 0.3 . 1 . . . . . . . . 7259 1 500 . 1 1 46 46 GLU CB C 13 30.527 0.3 . 1 . . . . . . . . 7259 1 501 . 1 1 46 46 GLU CG C 13 37.114 0.3 . 1 . . . . . . . . 7259 1 502 . 1 1 46 46 GLU N N 15 119.351 0.3 . 1 . . . . . . . . 7259 1 503 . 1 1 47 47 ALA H H 1 7.465 0.03 . 1 . . . . . . . . 7259 1 504 . 1 1 47 47 ALA HA H 1 4.027 0.03 . 1 . . . . . . . . 7259 1 505 . 1 1 47 47 ALA HB1 H 1 1.360 0.03 . 1 . . . . . . . . 7259 1 506 . 1 1 47 47 ALA HB2 H 1 1.360 0.03 . 1 . . . . . . . . 7259 1 507 . 1 1 47 47 ALA HB3 H 1 1.360 0.03 . 1 . . . . . . . . 7259 1 508 . 1 1 47 47 ALA C C 13 177.531 0.3 . 1 . . . . . . . . 7259 1 509 . 1 1 47 47 ALA CA C 13 53.837 0.3 . 1 . . . . . . . . 7259 1 510 . 1 1 47 47 ALA CB C 13 18.853 0.3 . 1 . . . . . . . . 7259 1 511 . 1 1 47 47 ALA N N 15 119.353 0.3 . 1 . . . . . . . . 7259 1 512 . 1 1 48 48 THR H H 1 9.479 0.03 . 1 . . . . . . . . 7259 1 513 . 1 1 48 48 THR HA H 1 4.497 0.03 . 1 . . . . . . . . 7259 1 514 . 1 1 48 48 THR HB H 1 4.424 0.03 . 1 . . . . . . . . 7259 1 515 . 1 1 48 48 THR HG21 H 1 1.408 0.03 . 1 . . . . . . . . 7259 1 516 . 1 1 48 48 THR HG22 H 1 1.408 0.03 . 1 . . . . . . . . 7259 1 517 . 1 1 48 48 THR HG23 H 1 1.408 0.03 . 1 . . . . . . . . 7259 1 518 . 1 1 48 48 THR C C 13 175.607 0.3 . 1 . . . . . . . . 7259 1 519 . 1 1 48 48 THR CA C 13 62.846 0.3 . 1 . . . . . . . . 7259 1 520 . 1 1 48 48 THR CB C 13 69.918 0.3 . 1 . . . . . . . . 7259 1 521 . 1 1 48 48 THR CG2 C 13 20.762 0.3 . 1 . . . . . . . . 7259 1 522 . 1 1 48 48 THR N N 15 114.170 0.3 . 1 . . . . . . . . 7259 1 523 . 1 1 49 49 HIS H H 1 7.883 0.03 . 1 . . . . . . . . 7259 1 524 . 1 1 49 49 HIS HA H 1 4.588 0.03 . 1 . . . . . . . . 7259 1 525 . 1 1 49 49 HIS HB2 H 1 2.075 0.03 . 2 . . . . . . . . 7259 1 526 . 1 1 49 49 HIS HB3 H 1 2.578 0.03 . 2 . . . . . . . . 7259 1 527 . 1 1 49 49 HIS C C 13 172.827 0.3 . 1 . . . . . . . . 7259 1 528 . 1 1 49 49 HIS CA C 13 56.648 0.3 . 1 . . . . . . . . 7259 1 529 . 1 1 49 49 HIS CB C 13 32.853 0.3 . 1 . . . . . . . . 7259 1 530 . 1 1 49 49 HIS N N 15 126.894 0.3 . 1 . . . . . . . . 7259 1 531 . 1 1 50 50 VAL H H 1 9.093 0.03 . 1 . . . . . . . . 7259 1 532 . 1 1 50 50 VAL HA H 1 4.982 0.03 . 1 . . . . . . . . 7259 1 533 . 1 1 50 50 VAL HB H 1 2.070 0.03 . 1 . . . . . . . . 7259 1 534 . 1 1 50 50 VAL HG11 H 1 0.494 0.03 . 2 . . . . . . . . 7259 1 535 . 1 1 50 50 VAL HG12 H 1 0.494 0.03 . 2 . . . . . . . . 7259 1 536 . 1 1 50 50 VAL HG13 H 1 0.494 0.03 . 2 . . . . . . . . 7259 1 537 . 1 1 50 50 VAL HG21 H 1 0.981 0.03 . 2 . . . . . . . . 7259 1 538 . 1 1 50 50 VAL HG22 H 1 0.981 0.03 . 2 . . . . . . . . 7259 1 539 . 1 1 50 50 VAL HG23 H 1 0.981 0.03 . 2 . . . . . . . . 7259 1 540 . 1 1 50 50 VAL C C 13 173.592 0.3 . 1 . . . . . . . . 7259 1 541 . 1 1 50 50 VAL CA C 13 61.429 0.3 . 1 . . . . . . . . 7259 1 542 . 1 1 50 50 VAL CB C 13 32.540 0.3 . 1 . . . . . . . . 7259 1 543 . 1 1 50 50 VAL CG1 C 13 22.756 0.3 . 1 . . . . . . . . 7259 1 544 . 1 1 50 50 VAL CG2 C 13 22.012 0.3 . 1 . . . . . . . . 7259 1 545 . 1 1 50 50 VAL N N 15 126.244 0.3 . 1 . . . . . . . . 7259 1 546 . 1 1 51 51 VAL H H 1 8.955 0.03 . 1 . . . . . . . . 7259 1 547 . 1 1 51 51 VAL HA H 1 4.983 0.03 . 1 . . . . . . . . 7259 1 548 . 1 1 51 51 VAL HB H 1 1.868 0.03 . 1 . . . . . . . . 7259 1 549 . 1 1 51 51 VAL HG11 H 1 0.963 0.03 . 1 . . . . . . . . 7259 1 550 . 1 1 51 51 VAL HG12 H 1 0.963 0.03 . 1 . . . . . . . . 7259 1 551 . 1 1 51 51 VAL HG13 H 1 0.963 0.03 . 1 . . . . . . . . 7259 1 552 . 1 1 51 51 VAL HG21 H 1 0.963 0.03 . 1 . . . . . . . . 7259 1 553 . 1 1 51 51 VAL HG22 H 1 0.963 0.03 . 1 . . . . . . . . 7259 1 554 . 1 1 51 51 VAL HG23 H 1 0.963 0.03 . 1 . . . . . . . . 7259 1 555 . 1 1 51 51 VAL C C 13 174.077 0.3 . 1 . . . . . . . . 7259 1 556 . 1 1 51 51 VAL CA C 13 60.335 0.3 . 1 . . . . . . . . 7259 1 557 . 1 1 51 51 VAL CB C 13 33.910 0.3 . 1 . . . . . . . . 7259 1 558 . 1 1 51 51 VAL CG1 C 13 22.118 0.3 . 1 . . . . . . . . 7259 1 559 . 1 1 51 51 VAL CG2 C 13 22.118 0.3 . 1 . . . . . . . . 7259 1 560 . 1 1 51 51 VAL N N 15 126.721 0.3 . 1 . . . . . . . . 7259 1 561 . 1 1 52 52 MET H H 1 8.857 0.03 . 1 . . . . . . . . 7259 1 562 . 1 1 52 52 MET HA H 1 4.677 0.03 . 1 . . . . . . . . 7259 1 563 . 1 1 52 52 MET HG2 H 1 2.075 0.03 . 1 . . . . . . . . 7259 1 564 . 1 1 52 52 MET HG3 H 1 2.075 0.03 . 1 . . . . . . . . 7259 1 565 . 1 1 52 52 MET HE1 H 1 2.088 0.03 . 1 . . . . . . . . 7259 1 566 . 1 1 52 52 MET HE2 H 1 2.088 0.03 . 1 . . . . . . . . 7259 1 567 . 1 1 52 52 MET HE3 H 1 2.088 0.03 . 1 . . . . . . . . 7259 1 568 . 1 1 52 52 MET C C 13 172.778 0.3 . 1 . . . . . . . . 7259 1 569 . 1 1 52 52 MET CA C 13 53.570 0.3 . 1 . . . . . . . . 7259 1 570 . 1 1 52 52 MET CB C 13 35.328 0.3 . 1 . . . . . . . . 7259 1 571 . 1 1 52 52 MET CG C 13 32.810 0.3 . 1 . . . . . . . . 7259 1 572 . 1 1 52 52 MET CE C 13 16.945 0.3 . 1 . . . . . . . . 7259 1 573 . 1 1 52 52 MET N N 15 124.005 0.3 . 1 . . . . . . . . 7259 1 574 . 1 1 53 53 GLU H H 1 9.188 0.03 . 1 . . . . . . . . 7259 1 575 . 1 1 53 53 GLU HA H 1 4.620 0.03 . 1 . . . . . . . . 7259 1 576 . 1 1 53 53 GLU HG2 H 1 2.268 0.03 . 1 . . . . . . . . 7259 1 577 . 1 1 53 53 GLU HG3 H 1 2.268 0.03 . 1 . . . . . . . . 7259 1 578 . 1 1 53 53 GLU C C 13 175.397 0.3 . 1 . . . . . . . . 7259 1 579 . 1 1 53 53 GLU CA C 13 54.765 0.3 . 1 . . . . . . . . 7259 1 580 . 1 1 53 53 GLU CB C 13 34.257 0.3 . 1 . . . . . . . . 7259 1 581 . 1 1 53 53 GLU CG C 13 37.418 0.3 . 1 . . . . . . . . 7259 1 582 . 1 1 53 53 GLU N N 15 121.730 0.3 . 1 . . . . . . . . 7259 1 583 . 1 1 54 54 GLU H H 1 9.823 0.03 . 1 . . . . . . . . 7259 1 584 . 1 1 54 54 GLU HA H 1 3.835 0.03 . 1 . . . . . . . . 7259 1 585 . 1 1 54 54 GLU HG2 H 1 2.294 0.03 . 2 . . . . . . . . 7259 1 586 . 1 1 54 54 GLU HG3 H 1 2.426 0.03 . 2 . . . . . . . . 7259 1 587 . 1 1 54 54 GLU C C 13 174.750 0.3 . 1 . . . . . . . . 7259 1 588 . 1 1 54 54 GLU CA C 13 57.041 0.3 . 1 . . . . . . . . 7259 1 589 . 1 1 54 54 GLU CB C 13 27.655 0.3 . 1 . . . . . . . . 7259 1 590 . 1 1 54 54 GLU CG C 13 36.889 0.3 . 1 . . . . . . . . 7259 1 591 . 1 1 54 54 GLU N N 15 124.040 0.3 . 1 . . . . . . . . 7259 1 592 . 1 1 55 55 THR H H 1 8.650 0.03 . 1 . . . . . . . . 7259 1 593 . 1 1 55 55 THR HA H 1 4.504 0.03 . 1 . . . . . . . . 7259 1 594 . 1 1 55 55 THR HB H 1 3.617 0.03 . 1 . . . . . . . . 7259 1 595 . 1 1 55 55 THR HG21 H 1 1.407 0.03 . 1 . . . . . . . . 7259 1 596 . 1 1 55 55 THR HG22 H 1 1.407 0.03 . 1 . . . . . . . . 7259 1 597 . 1 1 55 55 THR HG23 H 1 1.407 0.03 . 1 . . . . . . . . 7259 1 598 . 1 1 55 55 THR C C 13 173.388 0.3 . 1 . . . . . . . . 7259 1 599 . 1 1 55 55 THR CA C 13 62.370 0.3 . 1 . . . . . . . . 7259 1 600 . 1 1 55 55 THR CB C 13 71.327 0.3 . 1 . . . . . . . . 7259 1 601 . 1 1 55 55 THR CG2 C 13 20.772 0.3 . 1 . . . . . . . . 7259 1 602 . 1 1 55 55 THR N N 15 114.011 0.3 . 1 . . . . . . . . 7259 1 603 . 1 1 56 56 SER H H 1 9.111 0.03 . 1 . . . . . . . . 7259 1 604 . 1 1 56 56 SER HA H 1 4.448 0.03 . 1 . . . . . . . . 7259 1 605 . 1 1 56 56 SER HB2 H 1 4.058 0.03 . 2 . . . . . . . . 7259 1 606 . 1 1 56 56 SER HB3 H 1 4.422 0.03 . 2 . . . . . . . . 7259 1 607 . 1 1 56 56 SER C C 13 174.442 0.3 . 1 . . . . . . . . 7259 1 608 . 1 1 56 56 SER CA C 13 57.416 0.3 . 1 . . . . . . . . 7259 1 609 . 1 1 56 56 SER CB C 13 65.572 0.3 . 1 . . . . . . . . 7259 1 610 . 1 1 56 56 SER N N 15 124.089 0.3 . 1 . . . . . . . . 7259 1 611 . 1 1 57 57 ALA H H 1 9.064 0.03 . 1 . . . . . . . . 7259 1 612 . 1 1 57 57 ALA HA H 1 4.013 0.03 . 1 . . . . . . . . 7259 1 613 . 1 1 57 57 ALA HB1 H 1 1.431 0.03 . 1 . . . . . . . . 7259 1 614 . 1 1 57 57 ALA HB2 H 1 1.431 0.03 . 1 . . . . . . . . 7259 1 615 . 1 1 57 57 ALA HB3 H 1 1.431 0.03 . 1 . . . . . . . . 7259 1 616 . 1 1 57 57 ALA C C 13 179.491 0.3 . 1 . . . . . . . . 7259 1 617 . 1 1 57 57 ALA CA C 13 55.751 0.3 . 1 . . . . . . . . 7259 1 618 . 1 1 57 57 ALA CB C 13 17.914 0.3 . 1 . . . . . . . . 7259 1 619 . 1 1 57 57 ALA N N 15 123.443 0.3 . 1 . . . . . . . . 7259 1 620 . 1 1 58 58 GLU H H 1 8.634 0.03 . 1 . . . . . . . . 7259 1 621 . 1 1 58 58 GLU HA H 1 4.010 0.03 . 1 . . . . . . . . 7259 1 622 . 1 1 58 58 GLU HB2 H 1 1.993 0.03 . 2 . . . . . . . . 7259 1 623 . 1 1 58 58 GLU HB3 H 1 2.101 0.03 . 2 . . . . . . . . 7259 1 624 . 1 1 58 58 GLU HG2 H 1 2.360 0.03 . 1 . . . . . . . . 7259 1 625 . 1 1 58 58 GLU HG3 H 1 2.360 0.03 . 1 . . . . . . . . 7259 1 626 . 1 1 58 58 GLU C C 13 179.987 0.3 . 1 . . . . . . . . 7259 1 627 . 1 1 58 58 GLU CA C 13 60.024 0.3 . 1 . . . . . . . . 7259 1 628 . 1 1 58 58 GLU CB C 13 29.236 0.3 . 1 . . . . . . . . 7259 1 629 . 1 1 58 58 GLU CG C 13 36.764 0.3 . 1 . . . . . . . . 7259 1 630 . 1 1 58 58 GLU N N 15 116.181 0.3 . 1 . . . . . . . . 7259 1 631 . 1 1 59 59 GLU H H 1 7.882 0.03 . 1 . . . . . . . . 7259 1 632 . 1 1 59 59 GLU HA H 1 4.102 0.03 . 1 . . . . . . . . 7259 1 633 . 1 1 59 59 GLU HB2 H 1 1.956 0.03 . 1 . . . . . . . . 7259 1 634 . 1 1 59 59 GLU HB3 H 1 1.956 0.03 . 1 . . . . . . . . 7259 1 635 . 1 1 59 59 GLU HG2 H 1 2.363 0.03 . 1 . . . . . . . . 7259 1 636 . 1 1 59 59 GLU HG3 H 1 2.363 0.03 . 1 . . . . . . . . 7259 1 637 . 1 1 59 59 GLU C C 13 179.513 0.3 . 1 . . . . . . . . 7259 1 638 . 1 1 59 59 GLU CA C 13 58.684 0.3 . 1 . . . . . . . . 7259 1 639 . 1 1 59 59 GLU CB C 13 30.089 0.3 . 1 . . . . . . . . 7259 1 640 . 1 1 59 59 GLU CG C 13 37.044 0.3 . 1 . . . . . . . . 7259 1 641 . 1 1 59 59 GLU N N 15 120.813 0.3 . 1 . . . . . . . . 7259 1 642 . 1 1 60 60 ALA H H 1 8.798 0.03 . 1 . . . . . . . . 7259 1 643 . 1 1 60 60 ALA HA H 1 4.013 0.03 . 1 . . . . . . . . 7259 1 644 . 1 1 60 60 ALA HB1 H 1 1.604 0.03 . 1 . . . . . . . . 7259 1 645 . 1 1 60 60 ALA HB2 H 1 1.604 0.03 . 1 . . . . . . . . 7259 1 646 . 1 1 60 60 ALA HB3 H 1 1.604 0.03 . 1 . . . . . . . . 7259 1 647 . 1 1 60 60 ALA C C 13 179.020 0.3 . 1 . . . . . . . . 7259 1 648 . 1 1 60 60 ALA CA C 13 55.751 0.3 . 1 . . . . . . . . 7259 1 649 . 1 1 60 60 ALA CB C 13 19.680 0.3 . 1 . . . . . . . . 7259 1 650 . 1 1 60 60 ALA N N 15 125.968 0.3 . 1 . . . . . . . . 7259 1 651 . 1 1 61 61 VAL H H 1 8.455 0.03 . 1 . . . . . . . . 7259 1 652 . 1 1 61 61 VAL HA H 1 3.728 0.03 . 1 . . . . . . . . 7259 1 653 . 1 1 61 61 VAL HB H 1 2.185 0.03 . 1 . . . . . . . . 7259 1 654 . 1 1 61 61 VAL HG11 H 1 1.188 0.03 . 2 . . . . . . . . 7259 1 655 . 1 1 61 61 VAL HG12 H 1 1.188 0.03 . 2 . . . . . . . . 7259 1 656 . 1 1 61 61 VAL HG13 H 1 1.188 0.03 . 2 . . . . . . . . 7259 1 657 . 1 1 61 61 VAL HG21 H 1 1.023 0.03 . 2 . . . . . . . . 7259 1 658 . 1 1 61 61 VAL HG22 H 1 1.023 0.03 . 2 . . . . . . . . 7259 1 659 . 1 1 61 61 VAL HG23 H 1 1.023 0.03 . 2 . . . . . . . . 7259 1 660 . 1 1 61 61 VAL C C 13 179.080 0.3 . 1 . . . . . . . . 7259 1 661 . 1 1 61 61 VAL CA C 13 66.707 0.3 . 1 . . . . . . . . 7259 1 662 . 1 1 61 61 VAL CB C 13 31.868 0.3 . 1 . . . . . . . . 7259 1 663 . 1 1 61 61 VAL CG1 C 13 23.164 0.3 . 2 . . . . . . . . 7259 1 664 . 1 1 61 61 VAL CG2 C 13 21.329 0.3 . 2 . . . . . . . . 7259 1 665 . 1 1 61 61 VAL N N 15 118.009 0.3 . 1 . . . . . . . . 7259 1 666 . 1 1 62 62 SER H H 1 7.841 0.03 . 1 . . . . . . . . 7259 1 667 . 1 1 62 62 SER HA H 1 4.351 0.03 . 1 . . . . . . . . 7259 1 668 . 1 1 62 62 SER HB2 H 1 4.046 0.03 . 1 . . . . . . . . 7259 1 669 . 1 1 62 62 SER HB3 H 1 4.046 0.03 . 1 . . . . . . . . 7259 1 670 . 1 1 62 62 SER C C 13 176.646 0.3 . 1 . . . . . . . . 7259 1 671 . 1 1 62 62 SER CA C 13 61.714 0.3 . 1 . . . . . . . . 7259 1 672 . 1 1 62 62 SER CB C 13 62.670 0.3 . 1 . . . . . . . . 7259 1 673 . 1 1 62 62 SER N N 15 115.686 0.3 . 1 . . . . . . . . 7259 1 674 . 1 1 63 63 TRP H H 1 8.218 0.03 . 1 . . . . . . . . 7259 1 675 . 1 1 63 63 TRP HA H 1 3.957 0.03 . 1 . . . . . . . . 7259 1 676 . 1 1 63 63 TRP HB2 H 1 3.345 0.03 . 2 . . . . . . . . 7259 1 677 . 1 1 63 63 TRP HB3 H 1 3.847 0.03 . 2 . . . . . . . . 7259 1 678 . 1 1 63 63 TRP HD1 H 1 7.383 0.03 . 1 . . . . . . . . 7259 1 679 . 1 1 63 63 TRP HE1 H 1 10.425 0.03 . 1 . . . . . . . . 7259 1 680 . 1 1 63 63 TRP HZ2 H 1 7.448 0.03 . 1 . . . . . . . . 7259 1 681 . 1 1 63 63 TRP HZ3 H 1 6.954 0.03 . 1 . . . . . . . . 7259 1 682 . 1 1 63 63 TRP HH2 H 1 7.130 0.03 . 1 . . . . . . . . 7259 1 683 . 1 1 63 63 TRP C C 13 178.776 0.3 . 1 . . . . . . . . 7259 1 684 . 1 1 63 63 TRP CA C 13 62.590 0.3 . 1 . . . . . . . . 7259 1 685 . 1 1 63 63 TRP CB C 13 29.011 0.3 . 1 . . . . . . . . 7259 1 686 . 1 1 63 63 TRP CD1 C 13 127.222 0.3 . 1 . . . . . . . . 7259 1 687 . 1 1 63 63 TRP CZ2 C 13 114.217 0.3 . 1 . . . . . . . . 7259 1 688 . 1 1 63 63 TRP CZ3 C 13 121.463 0.3 . 1 . . . . . . . . 7259 1 689 . 1 1 63 63 TRP CH2 C 13 125.101 0.3 . 1 . . . . . . . . 7259 1 690 . 1 1 63 63 TRP N N 15 123.268 0.3 . 1 . . . . . . . . 7259 1 691 . 1 1 63 63 TRP NE1 N 15 129.641 0.3 . 1 . . . . . . . . 7259 1 692 . 1 1 64 64 GLN H H 1 8.513 0.03 . 1 . . . . . . . . 7259 1 693 . 1 1 64 64 GLN HA H 1 4.077 0.03 . 1 . . . . . . . . 7259 1 694 . 1 1 64 64 GLN HG2 H 1 2.361 0.03 . 2 . . . . . . . . 7259 1 695 . 1 1 64 64 GLN HG3 H 1 2.576 0.03 . 2 . . . . . . . . 7259 1 696 . 1 1 64 64 GLN HE21 H 1 6.596 0.03 . 2 . . . . . . . . 7259 1 697 . 1 1 64 64 GLN HE22 H 1 7.658 0.03 . 2 . . . . . . . . 7259 1 698 . 1 1 64 64 GLN C C 13 177.995 0.3 . 1 . . . . . . . . 7259 1 699 . 1 1 64 64 GLN CA C 13 58.718 0.3 . 1 . . . . . . . . 7259 1 700 . 1 1 64 64 GLN CB C 13 29.485 0.3 . 1 . . . . . . . . 7259 1 701 . 1 1 64 64 GLN CG C 13 32.866 0.3 . 1 . . . . . . . . 7259 1 702 . 1 1 64 64 GLN N N 15 121.416 0.3 . 1 . . . . . . . . 7259 1 703 . 1 1 64 64 GLN NE2 N 15 110.618 0.3 . 1 . . . . . . . . 7259 1 704 . 1 1 65 65 GLU H H 1 8.703 0.03 . 1 . . . . . . . . 7259 1 705 . 1 1 65 65 GLU HA H 1 3.980 0.03 . 1 . . . . . . . . 7259 1 706 . 1 1 65 65 GLU HB2 H 1 2.098 0.03 . 1 . . . . . . . . 7259 1 707 . 1 1 65 65 GLU HB3 H 1 2.098 0.03 . 1 . . . . . . . . 7259 1 708 . 1 1 65 65 GLU HG2 H 1 2.247 0.03 . 2 . . . . . . . . 7259 1 709 . 1 1 65 65 GLU HG3 H 1 2.501 0.03 . 2 . . . . . . . . 7259 1 710 . 1 1 65 65 GLU C C 13 179.820 0.3 . 1 . . . . . . . . 7259 1 711 . 1 1 65 65 GLU CA C 13 59.416 0.3 . 1 . . . . . . . . 7259 1 712 . 1 1 65 65 GLU CB C 13 29.411 0.3 . 1 . . . . . . . . 7259 1 713 . 1 1 65 65 GLU CG C 13 36.544 0.3 . 1 . . . . . . . . 7259 1 714 . 1 1 65 65 GLU N N 15 120.444 0.3 . 1 . . . . . . . . 7259 1 715 . 1 1 66 66 ARG H H 1 7.818 0.03 . 1 . . . . . . . . 7259 1 716 . 1 1 66 66 ARG HA H 1 4.030 0.03 . 1 . . . . . . . . 7259 1 717 . 1 1 66 66 ARG HB2 H 1 1.806 0.03 . 1 . . . . . . . . 7259 1 718 . 1 1 66 66 ARG HB3 H 1 1.806 0.03 . 1 . . . . . . . . 7259 1 719 . 1 1 66 66 ARG HG2 H 1 1.557 0.03 . 1 . . . . . . . . 7259 1 720 . 1 1 66 66 ARG HG3 H 1 1.557 0.03 . 1 . . . . . . . . 7259 1 721 . 1 1 66 66 ARG HD2 H 1 3.158 0.03 . 1 . . . . . . . . 7259 1 722 . 1 1 66 66 ARG HD3 H 1 3.158 0.03 . 1 . . . . . . . . 7259 1 723 . 1 1 66 66 ARG C C 13 178.893 0.3 . 1 . . . . . . . . 7259 1 724 . 1 1 66 66 ARG CA C 13 58.797 0.3 . 1 . . . . . . . . 7259 1 725 . 1 1 66 66 ARG CB C 13 30.195 0.3 . 1 . . . . . . . . 7259 1 726 . 1 1 66 66 ARG CG C 13 27.709 0.3 . 1 . . . . . . . . 7259 1 727 . 1 1 66 66 ARG CD C 13 43.433 0.3 . 1 . . . . . . . . 7259 1 728 . 1 1 66 66 ARG N N 15 118.434 0.3 . 1 . . . . . . . . 7259 1 729 . 1 1 67 67 ARG H H 1 7.645 0.03 . 1 . . . . . . . . 7259 1 730 . 1 1 67 67 ARG HA H 1 3.815 0.03 . 1 . . . . . . . . 7259 1 731 . 1 1 67 67 ARG HB2 H 1 0.920 0.03 . 2 . . . . . . . . 7259 1 732 . 1 1 67 67 ARG HB3 H 1 1.464 0.03 . 2 . . . . . . . . 7259 1 733 . 1 1 67 67 ARG HG2 H 1 1.161 0.03 . 1 . . . . . . . . 7259 1 734 . 1 1 67 67 ARG HG3 H 1 1.161 0.03 . 1 . . . . . . . . 7259 1 735 . 1 1 67 67 ARG HD2 H 1 2.661 0.03 . 2 . . . . . . . . 7259 1 736 . 1 1 67 67 ARG HD3 H 1 2.773 0.03 . 2 . . . . . . . . 7259 1 737 . 1 1 67 67 ARG C C 13 178.776 0.3 . 1 . . . . . . . . 7259 1 738 . 1 1 67 67 ARG CA C 13 58.038 0.3 . 1 . . . . . . . . 7259 1 739 . 1 1 67 67 ARG CB C 13 29.093 0.3 . 1 . . . . . . . . 7259 1 740 . 1 1 67 67 ARG CG C 13 26.158 0.3 . 1 . . . . . . . . 7259 1 741 . 1 1 67 67 ARG CD C 13 42.967 0.3 . 1 . . . . . . . . 7259 1 742 . 1 1 67 67 ARG N N 15 119.958 0.3 . 1 . . . . . . . . 7259 1 743 . 1 1 68 68 MET H H 1 8.341 0.03 . 1 . . . . . . . . 7259 1 744 . 1 1 68 68 MET HA H 1 4.197 0.03 . 1 . . . . . . . . 7259 1 745 . 1 1 68 68 MET HB2 H 1 2.108 0.03 . 1 . . . . . . . . 7259 1 746 . 1 1 68 68 MET HB3 H 1 2.108 0.03 . 1 . . . . . . . . 7259 1 747 . 1 1 68 68 MET HG2 H 1 2.581 0.03 . 2 . . . . . . . . 7259 1 748 . 1 1 68 68 MET HG3 H 1 2.681 0.03 . 2 . . . . . . . . 7259 1 749 . 1 1 68 68 MET HE1 H 1 2.024 0.03 . 1 . . . . . . . . 7259 1 750 . 1 1 68 68 MET HE2 H 1 2.024 0.03 . 1 . . . . . . . . 7259 1 751 . 1 1 68 68 MET HE3 H 1 2.024 0.03 . 1 . . . . . . . . 7259 1 752 . 1 1 68 68 MET C C 13 177.957 0.3 . 1 . . . . . . . . 7259 1 753 . 1 1 68 68 MET CA C 13 56.687 0.3 . 1 . . . . . . . . 7259 1 754 . 1 1 68 68 MET CB C 13 31.523 0.3 . 1 . . . . . . . . 7259 1 755 . 1 1 68 68 MET CG C 13 32.060 0.3 . 1 . . . . . . . . 7259 1 756 . 1 1 68 68 MET CE C 13 16.545 0.3 . 1 . . . . . . . . 7259 1 757 . 1 1 68 68 MET N N 15 117.836 0.3 . 1 . . . . . . . . 7259 1 758 . 1 1 69 69 ALA H H 1 7.702 0.03 . 1 . . . . . . . . 7259 1 759 . 1 1 69 69 ALA HA H 1 4.179 0.03 . 1 . . . . . . . . 7259 1 760 . 1 1 69 69 ALA HB1 H 1 1.431 0.03 . 1 . . . . . . . . 7259 1 761 . 1 1 69 69 ALA HB2 H 1 1.431 0.03 . 1 . . . . . . . . 7259 1 762 . 1 1 69 69 ALA HB3 H 1 1.431 0.03 . 1 . . . . . . . . 7259 1 763 . 1 1 69 69 ALA C C 13 178.059 0.3 . 1 . . . . . . . . 7259 1 764 . 1 1 69 69 ALA CA C 13 53.972 0.3 . 1 . . . . . . . . 7259 1 765 . 1 1 69 69 ALA CB C 13 18.193 0.3 . 1 . . . . . . . . 7259 1 766 . 1 1 69 69 ALA N N 15 121.663 0.3 . 1 . . . . . . . . 7259 1 767 . 1 1 70 70 ALA H H 1 7.485 0.03 . 1 . . . . . . . . 7259 1 768 . 1 1 70 70 ALA HA H 1 4.428 0.03 . 1 . . . . . . . . 7259 1 769 . 1 1 70 70 ALA HB1 H 1 1.364 0.03 . 1 . . . . . . . . 7259 1 770 . 1 1 70 70 ALA HB2 H 1 1.364 0.03 . 1 . . . . . . . . 7259 1 771 . 1 1 70 70 ALA HB3 H 1 1.364 0.03 . 1 . . . . . . . . 7259 1 772 . 1 1 70 70 ALA C C 13 176.760 0.3 . 1 . . . . . . . . 7259 1 773 . 1 1 70 70 ALA CA C 13 51.526 0.3 . 1 . . . . . . . . 7259 1 774 . 1 1 70 70 ALA CB C 13 19.416 0.3 . 1 . . . . . . . . 7259 1 775 . 1 1 70 70 ALA N N 15 119.282 0.3 . 1 . . . . . . . . 7259 1 776 . 1 1 71 71 ALA H H 1 7.601 0.03 . 1 . . . . . . . . 7259 1 777 . 1 1 71 71 ALA HA H 1 4.584 0.03 . 1 . . . . . . . . 7259 1 778 . 1 1 71 71 ALA HB1 H 1 1.385 0.03 . 1 . . . . . . . . 7259 1 779 . 1 1 71 71 ALA HB2 H 1 1.385 0.03 . 1 . . . . . . . . 7259 1 780 . 1 1 71 71 ALA HB3 H 1 1.385 0.03 . 1 . . . . . . . . 7259 1 781 . 1 1 71 71 ALA CA C 13 50.491 0.3 . 1 . . . . . . . . 7259 1 782 . 1 1 71 71 ALA CB C 13 18.557 0.3 . 1 . . . . . . . . 7259 1 783 . 1 1 71 71 ALA N N 15 124.527 0.3 . 1 . . . . . . . . 7259 1 784 . 1 1 72 72 PRO HB2 H 1 1.889 0.03 . 2 . . . . . . . . 7259 1 785 . 1 1 72 72 PRO HB3 H 1 2.399 0.03 . 2 . . . . . . . . 7259 1 786 . 1 1 72 72 PRO HD2 H 1 3.590 0.03 . 2 . . . . . . . . 7259 1 787 . 1 1 72 72 PRO HD3 H 1 3.890 0.03 . 2 . . . . . . . . 7259 1 788 . 1 1 72 72 PRO CB C 13 30.693 0.3 . 1 . . . . . . . . 7259 1 789 . 1 1 72 72 PRO CD C 13 50.494 0.3 . 1 . . . . . . . . 7259 1 790 . 1 1 73 73 PRO HA H 1 4.405 0.03 . 1 . . . . . . . . 7259 1 791 . 1 1 73 73 PRO HB2 H 1 2.083 0.03 . 2 . . . . . . . . 7259 1 792 . 1 1 73 73 PRO HB3 H 1 2.338 0.03 . 2 . . . . . . . . 7259 1 793 . 1 1 73 73 PRO HG2 H 1 1.906 0.03 . 1 . . . . . . . . 7259 1 794 . 1 1 73 73 PRO HG3 H 1 1.906 0.03 . 1 . . . . . . . . 7259 1 795 . 1 1 73 73 PRO C C 13 178.114 0.3 . 1 . . . . . . . . 7259 1 796 . 1 1 73 73 PRO CA C 13 63.567 0.3 . 1 . . . . . . . . 7259 1 797 . 1 1 73 73 PRO CB C 13 31.688 0.3 . 1 . . . . . . . . 7259 1 798 . 1 1 73 73 PRO CG C 13 27.734 0.3 . 1 . . . . . . . . 7259 1 799 . 1 1 73 73 PRO N N 15 135.480 0.3 . 1 . . . . . . . . 7259 1 800 . 1 1 74 74 GLY H H 1 8.885 0.03 . 1 . . . . . . . . 7259 1 801 . 1 1 74 74 GLY HA2 H 1 3.771 0.03 . 2 . . . . . . . . 7259 1 802 . 1 1 74 74 GLY HA3 H 1 4.145 0.03 . 2 . . . . . . . . 7259 1 803 . 1 1 74 74 GLY C C 13 174.523 0.3 . 1 . . . . . . . . 7259 1 804 . 1 1 74 74 GLY CA C 13 45.377 0.3 . 1 . . . . . . . . 7259 1 805 . 1 1 74 74 GLY N N 15 110.729 0.3 . 1 . . . . . . . . 7259 1 806 . 1 1 75 75 CYS H H 1 7.686 0.03 . 1 . . . . . . . . 7259 1 807 . 1 1 75 75 CYS HB2 H 1 2.924 0.03 . 1 . . . . . . . . 7259 1 808 . 1 1 75 75 CYS HB3 H 1 2.924 0.03 . 1 . . . . . . . . 7259 1 809 . 1 1 75 75 CYS C C 13 174.682 0.3 . 1 . . . . . . . . 7259 1 810 . 1 1 75 75 CYS CA C 13 58.825 0.3 . 1 . . . . . . . . 7259 1 811 . 1 1 75 75 CYS CB C 13 28.129 0.3 . 1 . . . . . . . . 7259 1 812 . 1 1 75 75 CYS N N 15 119.084 0.3 . 1 . . . . . . . . 7259 1 813 . 1 1 76 76 THR H H 1 8.980 0.03 . 1 . . . . . . . . 7259 1 814 . 1 1 76 76 THR HA H 1 4.535 0.03 . 1 . . . . . . . . 7259 1 815 . 1 1 76 76 THR HB H 1 4.069 0.03 . 1 . . . . . . . . 7259 1 816 . 1 1 76 76 THR HG21 H 1 1.280 0.03 . 1 . . . . . . . . 7259 1 817 . 1 1 76 76 THR HG22 H 1 1.280 0.03 . 1 . . . . . . . . 7259 1 818 . 1 1 76 76 THR HG23 H 1 1.280 0.03 . 1 . . . . . . . . 7259 1 819 . 1 1 76 76 THR CA C 13 60.585 0.3 . 1 . . . . . . . . 7259 1 820 . 1 1 76 76 THR CB C 13 69.682 0.3 . 1 . . . . . . . . 7259 1 821 . 1 1 76 76 THR CG2 C 13 21.479 0.3 . 1 . . . . . . . . 7259 1 822 . 1 1 76 76 THR N N 15 124.244 0.3 . 1 . . . . . . . . 7259 1 823 . 1 1 78 78 PRO HA H 1 4.465 0.03 . 1 . . . . . . . . 7259 1 824 . 1 1 78 78 PRO HB2 H 1 1.872 0.03 . 2 . . . . . . . . 7259 1 825 . 1 1 78 78 PRO HB3 H 1 2.023 0.03 . 2 . . . . . . . . 7259 1 826 . 1 1 78 78 PRO HG2 H 1 1.651 0.03 . 1 . . . . . . . . 7259 1 827 . 1 1 78 78 PRO HG3 H 1 1.651 0.03 . 1 . . . . . . . . 7259 1 828 . 1 1 78 78 PRO HD2 H 1 3.767 0.03 . 1 . . . . . . . . 7259 1 829 . 1 1 78 78 PRO HD3 H 1 3.767 0.03 . 1 . . . . . . . . 7259 1 830 . 1 1 78 78 PRO C C 13 175.587 0.3 . 1 . . . . . . . . 7259 1 831 . 1 1 78 78 PRO CA C 13 61.706 0.3 . 1 . . . . . . . . 7259 1 832 . 1 1 78 78 PRO CB C 13 31.898 0.3 . 1 . . . . . . . . 7259 1 833 . 1 1 78 78 PRO CG C 13 26.853 0.3 . 1 . . . . . . . . 7259 1 834 . 1 1 78 78 PRO CD C 13 49.858 0.3 . 1 . . . . . . . . 7259 1 835 . 1 1 79 79 ALA H H 1 7.558 0.03 . 1 . . . . . . . . 7259 1 836 . 1 1 79 79 ALA HB1 H 1 1.001 0.03 . 1 . . . . . . . . 7259 1 837 . 1 1 79 79 ALA HB2 H 1 1.001 0.03 . 1 . . . . . . . . 7259 1 838 . 1 1 79 79 ALA HB3 H 1 1.001 0.03 . 1 . . . . . . . . 7259 1 839 . 1 1 79 79 ALA C C 13 175.503 0.3 . 1 . . . . . . . . 7259 1 840 . 1 1 79 79 ALA CA C 13 51.875 0.3 . 1 . . . . . . . . 7259 1 841 . 1 1 79 79 ALA CB C 13 18.444 0.3 . 1 . . . . . . . . 7259 1 842 . 1 1 79 79 ALA N N 15 121.750 0.3 . 1 . . . . . . . . 7259 1 843 . 1 1 80 80 LEU H H 1 8.099 0.03 . 1 . . . . . . . . 7259 1 844 . 1 1 80 80 LEU HA H 1 4.798 0.03 . 1 . . . . . . . . 7259 1 845 . 1 1 80 80 LEU HB2 H 1 1.228 0.03 . 2 . . . . . . . . 7259 1 846 . 1 1 80 80 LEU HB3 H 1 1.958 0.03 . 2 . . . . . . . . 7259 1 847 . 1 1 80 80 LEU HG H 1 0.962 0.03 . 1 . . . . . . . . 7259 1 848 . 1 1 80 80 LEU HD11 H 1 0.813 0.03 . 1 . . . . . . . . 7259 1 849 . 1 1 80 80 LEU HD12 H 1 0.813 0.03 . 1 . . . . . . . . 7259 1 850 . 1 1 80 80 LEU HD13 H 1 0.813 0.03 . 1 . . . . . . . . 7259 1 851 . 1 1 80 80 LEU HD21 H 1 0.813 0.03 . 1 . . . . . . . . 7259 1 852 . 1 1 80 80 LEU HD22 H 1 0.813 0.03 . 1 . . . . . . . . 7259 1 853 . 1 1 80 80 LEU HD23 H 1 0.813 0.03 . 1 . . . . . . . . 7259 1 854 . 1 1 80 80 LEU C C 13 176.418 0.3 . 1 . . . . . . . . 7259 1 855 . 1 1 80 80 LEU CA C 13 53.917 0.3 . 1 . . . . . . . . 7259 1 856 . 1 1 80 80 LEU CB C 13 42.142 0.3 . 1 . . . . . . . . 7259 1 857 . 1 1 80 80 LEU CG C 13 25.916 0.3 . 1 . . . . . . . . 7259 1 858 . 1 1 80 80 LEU CD1 C 13 23.190 0.3 . 1 . . . . . . . . 7259 1 859 . 1 1 80 80 LEU CD2 C 13 23.190 0.3 . 1 . . . . . . . . 7259 1 860 . 1 1 80 80 LEU N N 15 122.908 0.3 . 1 . . . . . . . . 7259 1 861 . 1 1 81 81 LEU H H 1 9.401 0.03 . 1 . . . . . . . . 7259 1 862 . 1 1 81 81 LEU HA H 1 5.309 0.03 . 1 . . . . . . . . 7259 1 863 . 1 1 81 81 LEU HB2 H 1 1.482 0.03 . 2 . . . . . . . . 7259 1 864 . 1 1 81 81 LEU HB3 H 1 1.599 0.03 . 2 . . . . . . . . 7259 1 865 . 1 1 81 81 LEU HD11 H 1 0.555 0.03 . 2 . . . . . . . . 7259 1 866 . 1 1 81 81 LEU HD12 H 1 0.555 0.03 . 2 . . . . . . . . 7259 1 867 . 1 1 81 81 LEU HD13 H 1 0.555 0.03 . 2 . . . . . . . . 7259 1 868 . 1 1 81 81 LEU HD21 H 1 -0.058 0.03 . 2 . . . . . . . . 7259 1 869 . 1 1 81 81 LEU HD22 H 1 -0.058 0.03 . 2 . . . . . . . . 7259 1 870 . 1 1 81 81 LEU HD23 H 1 -0.058 0.03 . 2 . . . . . . . . 7259 1 871 . 1 1 81 81 LEU C C 13 174.731 0.3 . 1 . . . . . . . . 7259 1 872 . 1 1 81 81 LEU CA C 13 53.087 0.3 . 1 . . . . . . . . 7259 1 873 . 1 1 81 81 LEU CB C 13 46.077 0.3 . 1 . . . . . . . . 7259 1 874 . 1 1 81 81 LEU CD1 C 13 24.977 0.3 . 2 . . . . . . . . 7259 1 875 . 1 1 81 81 LEU CD2 C 13 26.564 0.3 . 2 . . . . . . . . 7259 1 876 . 1 1 81 81 LEU N N 15 126.556 0.3 . 1 . . . . . . . . 7259 1 877 . 1 1 82 82 ASP H H 1 9.011 0.03 . 1 . . . . . . . . 7259 1 878 . 1 1 82 82 ASP HA H 1 5.062 0.03 . 1 . . . . . . . . 7259 1 879 . 1 1 82 82 ASP HB2 H 1 2.590 0.03 . 2 . . . . . . . . 7259 1 880 . 1 1 82 82 ASP HB3 H 1 2.874 0.03 . 2 . . . . . . . . 7259 1 881 . 1 1 82 82 ASP C C 13 177.671 0.3 . 1 . . . . . . . . 7259 1 882 . 1 1 82 82 ASP CA C 13 54.654 0.3 . 1 . . . . . . . . 7259 1 883 . 1 1 82 82 ASP CB C 13 45.474 0.3 . 1 . . . . . . . . 7259 1 884 . 1 1 82 82 ASP N N 15 119.212 0.3 . 1 . . . . . . . . 7259 1 885 . 1 1 83 83 ILE H H 1 7.844 0.03 . 1 . . . . . . . . 7259 1 886 . 1 1 83 83 ILE HA H 1 4.071 0.03 . 1 . . . . . . . . 7259 1 887 . 1 1 83 83 ILE HB H 1 1.665 0.03 . 1 . . . . . . . . 7259 1 888 . 1 1 83 83 ILE HG12 H 1 1.490 0.03 . 2 . . . . . . . . 7259 1 889 . 1 1 83 83 ILE HG13 H 1 1.483 0.03 . 2 . . . . . . . . 7259 1 890 . 1 1 83 83 ILE HG21 H 1 1.229 0.03 . 1 . . . . . . . . 7259 1 891 . 1 1 83 83 ILE HG22 H 1 1.229 0.03 . 1 . . . . . . . . 7259 1 892 . 1 1 83 83 ILE HG23 H 1 1.229 0.03 . 1 . . . . . . . . 7259 1 893 . 1 1 83 83 ILE HD11 H 1 0.883 0.03 . 1 . . . . . . . . 7259 1 894 . 1 1 83 83 ILE HD12 H 1 0.883 0.03 . 1 . . . . . . . . 7259 1 895 . 1 1 83 83 ILE HD13 H 1 0.883 0.03 . 1 . . . . . . . . 7259 1 896 . 1 1 83 83 ILE C C 13 174.989 0.3 . 1 . . . . . . . . 7259 1 897 . 1 1 83 83 ILE CA C 13 61.196 0.3 . 1 . . . . . . . . 7259 1 898 . 1 1 83 83 ILE CB C 13 39.745 0.3 . 1 . . . . . . . . 7259 1 899 . 1 1 83 83 ILE CG1 C 13 28.466 0.3 . 1 . . . . . . . . 7259 1 900 . 1 1 83 83 ILE CG2 C 13 18.405 0.3 . 1 . . . . . . . . 7259 1 901 . 1 1 83 83 ILE CD1 C 13 15.435 0.3 . 1 . . . . . . . . 7259 1 902 . 1 1 83 83 ILE N N 15 123.097 0.3 . 1 . . . . . . . . 7259 1 903 . 1 1 84 84 SER H H 1 8.651 0.03 . 1 . . . . . . . . 7259 1 904 . 1 1 84 84 SER HA H 1 4.294 0.03 . 1 . . . . . . . . 7259 1 905 . 1 1 84 84 SER HB2 H 1 4.022 0.03 . 2 . . . . . . . . 7259 1 906 . 1 1 84 84 SER HB3 H 1 4.183 0.03 . 2 . . . . . . . . 7259 1 907 . 1 1 84 84 SER C C 13 176.238 0.3 . 1 . . . . . . . . 7259 1 908 . 1 1 84 84 SER CA C 13 61.209 0.3 . 1 . . . . . . . . 7259 1 909 . 1 1 84 84 SER CB C 13 62.236 0.3 . 1 . . . . . . . . 7259 1 910 . 1 1 84 84 SER N N 15 120.219 0.3 . 1 . . . . . . . . 7259 1 911 . 1 1 85 85 TRP H H 1 8.363 0.03 . 1 . . . . . . . . 7259 1 912 . 1 1 85 85 TRP HB2 H 1 2.818 0.03 . 2 . . . . . . . . 7259 1 913 . 1 1 85 85 TRP HB3 H 1 3.224 0.03 . 2 . . . . . . . . 7259 1 914 . 1 1 85 85 TRP HD1 H 1 6.007 0.03 . 1 . . . . . . . . 7259 1 915 . 1 1 85 85 TRP HE1 H 1 10.256 0.03 . 1 . . . . . . . . 7259 1 916 . 1 1 85 85 TRP HE3 H 1 7.006 0.03 . 1 . . . . . . . . 7259 1 917 . 1 1 85 85 TRP HZ2 H 1 7.055 0.03 . 1 . . . . . . . . 7259 1 918 . 1 1 85 85 TRP HZ3 H 1 6.412 0.03 . 1 . . . . . . . . 7259 1 919 . 1 1 85 85 TRP HH2 H 1 6.195 0.03 . 1 . . . . . . . . 7259 1 920 . 1 1 85 85 TRP C C 13 179.277 0.3 . 1 . . . . . . . . 7259 1 921 . 1 1 85 85 TRP CA C 13 63.324 0.3 . 1 . . . . . . . . 7259 1 922 . 1 1 85 85 TRP CB C 13 28.906 0.3 . 1 . . . . . . . . 7259 1 923 . 1 1 85 85 TRP CD1 C 13 126.852 0.3 . 1 . . . . . . . . 7259 1 924 . 1 1 85 85 TRP CE3 C 13 119.115 0.3 . 1 . . . . . . . . 7259 1 925 . 1 1 85 85 TRP CZ2 C 13 114.726 0.3 . 1 . . . . . . . . 7259 1 926 . 1 1 85 85 TRP CZ3 C 13 119.164 0.3 . 1 . . . . . . . . 7259 1 927 . 1 1 85 85 TRP CH2 C 13 122.228 0.3 . 1 . . . . . . . . 7259 1 928 . 1 1 85 85 TRP N N 15 121.269 0.3 . 1 . . . . . . . . 7259 1 929 . 1 1 85 85 TRP NE1 N 15 132.087 0.3 . 1 . . . . . . . . 7259 1 930 . 1 1 86 86 LEU H H 1 7.482 0.03 . 1 . . . . . . . . 7259 1 931 . 1 1 86 86 LEU HA H 1 3.436 0.03 . 1 . . . . . . . . 7259 1 932 . 1 1 86 86 LEU HB2 H 1 1.444 0.03 . 2 . . . . . . . . 7259 1 933 . 1 1 86 86 LEU HB3 H 1 2.275 0.03 . 2 . . . . . . . . 7259 1 934 . 1 1 86 86 LEU HG H 1 0.859 0.03 . 1 . . . . . . . . 7259 1 935 . 1 1 86 86 LEU HD11 H 1 0.614 0.03 . 1 . . . . . . . . 7259 1 936 . 1 1 86 86 LEU HD12 H 1 0.614 0.03 . 1 . . . . . . . . 7259 1 937 . 1 1 86 86 LEU HD13 H 1 0.614 0.03 . 1 . . . . . . . . 7259 1 938 . 1 1 86 86 LEU HD21 H 1 0.614 0.03 . 1 . . . . . . . . 7259 1 939 . 1 1 86 86 LEU HD22 H 1 0.614 0.03 . 1 . . . . . . . . 7259 1 940 . 1 1 86 86 LEU HD23 H 1 0.614 0.03 . 1 . . . . . . . . 7259 1 941 . 1 1 86 86 LEU C C 13 178.035 0.3 . 1 . . . . . . . . 7259 1 942 . 1 1 86 86 LEU CA C 13 56.990 0.3 . 1 . . . . . . . . 7259 1 943 . 1 1 86 86 LEU CB C 13 42.301 0.3 . 1 . . . . . . . . 7259 1 944 . 1 1 86 86 LEU CG C 13 27.591 0.3 . 1 . . . . . . . . 7259 1 945 . 1 1 86 86 LEU CD1 C 13 22.922 0.3 . 1 . . . . . . . . 7259 1 946 . 1 1 86 86 LEU CD2 C 13 22.922 0.3 . 1 . . . . . . . . 7259 1 947 . 1 1 86 86 LEU N N 15 119.984 0.3 . 1 . . . . . . . . 7259 1 948 . 1 1 87 87 THR H H 1 8.989 0.03 . 1 . . . . . . . . 7259 1 949 . 1 1 87 87 THR HA H 1 3.672 0.03 . 1 . . . . . . . . 7259 1 950 . 1 1 87 87 THR HB H 1 4.228 0.03 . 1 . . . . . . . . 7259 1 951 . 1 1 87 87 THR HG21 H 1 1.172 0.03 . 1 . . . . . . . . 7259 1 952 . 1 1 87 87 THR HG22 H 1 1.172 0.03 . 1 . . . . . . . . 7259 1 953 . 1 1 87 87 THR HG23 H 1 1.172 0.03 . 1 . . . . . . . . 7259 1 954 . 1 1 87 87 THR C C 13 178.894 0.3 . 1 . . . . . . . . 7259 1 955 . 1 1 87 87 THR CA C 13 66.580 0.3 . 1 . . . . . . . . 7259 1 956 . 1 1 87 87 THR CB C 13 67.385 0.3 . 1 . . . . . . . . 7259 1 957 . 1 1 87 87 THR CG2 C 13 21.986 0.3 . 1 . . . . . . . . 7259 1 958 . 1 1 87 87 THR N N 15 114.346 0.3 . 1 . . . . . . . . 7259 1 959 . 1 1 88 88 GLU H H 1 8.428 0.03 . 1 . . . . . . . . 7259 1 960 . 1 1 88 88 GLU HA H 1 4.028 0.03 . 1 . . . . . . . . 7259 1 961 . 1 1 88 88 GLU HB2 H 1 1.950 0.03 . 2 . . . . . . . . 7259 1 962 . 1 1 88 88 GLU HB3 H 1 2.029 0.03 . 2 . . . . . . . . 7259 1 963 . 1 1 88 88 GLU HG2 H 1 2.359 0.03 . 2 . . . . . . . . 7259 1 964 . 1 1 88 88 GLU HG3 H 1 2.697 0.03 . 2 . . . . . . . . 7259 1 965 . 1 1 88 88 GLU C C 13 179.898 0.3 . 1 . . . . . . . . 7259 1 966 . 1 1 88 88 GLU CA C 13 59.396 0.3 . 1 . . . . . . . . 7259 1 967 . 1 1 88 88 GLU CB C 13 29.043 0.3 . 1 . . . . . . . . 7259 1 968 . 1 1 88 88 GLU CG C 13 36.962 0.3 . 1 . . . . . . . . 7259 1 969 . 1 1 88 88 GLU N N 15 123.420 0.3 . 1 . . . . . . . . 7259 1 970 . 1 1 89 89 SER H H 1 7.492 0.03 . 1 . . . . . . . . 7259 1 971 . 1 1 89 89 SER HA H 1 4.550 0.03 . 1 . . . . . . . . 7259 1 972 . 1 1 89 89 SER HB2 H 1 3.181 0.03 . 1 . . . . . . . . 7259 1 973 . 1 1 89 89 SER HB3 H 1 3.181 0.03 . 1 . . . . . . . . 7259 1 974 . 1 1 89 89 SER C C 13 175.544 0.3 . 1 . . . . . . . . 7259 1 975 . 1 1 89 89 SER CA C 13 62.222 0.3 . 1 . . . . . . . . 7259 1 976 . 1 1 89 89 SER N N 15 118.963 0.3 . 1 . . . . . . . . 7259 1 977 . 1 1 90 90 LEU H H 1 8.711 0.03 . 1 . . . . . . . . 7259 1 978 . 1 1 90 90 LEU HA H 1 3.710 0.03 . 1 . . . . . . . . 7259 1 979 . 1 1 90 90 LEU HB2 H 1 1.154 0.03 . 2 . . . . . . . . 7259 1 980 . 1 1 90 90 LEU HB3 H 1 1.805 0.03 . 2 . . . . . . . . 7259 1 981 . 1 1 90 90 LEU HG H 1 1.535 0.03 . 1 . . . . . . . . 7259 1 982 . 1 1 90 90 LEU HD11 H 1 0.259 0.03 . 2 . . . . . . . . 7259 1 983 . 1 1 90 90 LEU HD12 H 1 0.259 0.03 . 2 . . . . . . . . 7259 1 984 . 1 1 90 90 LEU HD13 H 1 0.259 0.03 . 2 . . . . . . . . 7259 1 985 . 1 1 90 90 LEU HD21 H 1 0.584 0.03 . 2 . . . . . . . . 7259 1 986 . 1 1 90 90 LEU HD22 H 1 0.584 0.03 . 2 . . . . . . . . 7259 1 987 . 1 1 90 90 LEU HD23 H 1 0.584 0.03 . 2 . . . . . . . . 7259 1 988 . 1 1 90 90 LEU C C 13 179.761 0.3 . 1 . . . . . . . . 7259 1 989 . 1 1 90 90 LEU CA C 13 58.045 0.3 . 1 . . . . . . . . 7259 1 990 . 1 1 90 90 LEU CB C 13 40.496 0.3 . 1 . . . . . . . . 7259 1 991 . 1 1 90 90 LEU CD1 C 13 22.596 0.3 . 2 . . . . . . . . 7259 1 992 . 1 1 90 90 LEU CD2 C 13 25.669 0.3 . 2 . . . . . . . . 7259 1 993 . 1 1 90 90 LEU N N 15 121.847 0.3 . 1 . . . . . . . . 7259 1 994 . 1 1 91 91 GLY H H 1 7.810 0.03 . 1 . . . . . . . . 7259 1 995 . 1 1 91 91 GLY HA2 H 1 3.816 0.03 . 1 . . . . . . . . 7259 1 996 . 1 1 91 91 GLY HA3 H 1 3.816 0.03 . 1 . . . . . . . . 7259 1 997 . 1 1 91 91 GLY C C 13 175.291 0.3 . 1 . . . . . . . . 7259 1 998 . 1 1 91 91 GLY CA C 13 46.866 0.3 . 1 . . . . . . . . 7259 1 999 . 1 1 91 91 GLY N N 15 105.779 0.3 . 1 . . . . . . . . 7259 1 1000 . 1 1 92 92 ALA H H 1 7.935 0.03 . 1 . . . . . . . . 7259 1 1001 . 1 1 92 92 ALA HA H 1 4.324 0.03 . 1 . . . . . . . . 7259 1 1002 . 1 1 92 92 ALA HB1 H 1 1.502 0.03 . 1 . . . . . . . . 7259 1 1003 . 1 1 92 92 ALA HB2 H 1 1.502 0.03 . 1 . . . . . . . . 7259 1 1004 . 1 1 92 92 ALA HB3 H 1 1.502 0.03 . 1 . . . . . . . . 7259 1 1005 . 1 1 92 92 ALA C C 13 178.542 0.3 . 1 . . . . . . . . 7259 1 1006 . 1 1 92 92 ALA CA C 13 52.933 0.3 . 1 . . . . . . . . 7259 1 1007 . 1 1 92 92 ALA CB C 13 19.124 0.3 . 1 . . . . . . . . 7259 1 1008 . 1 1 92 92 ALA N N 15 121.627 0.3 . 1 . . . . . . . . 7259 1 1009 . 1 1 93 93 GLY H H 1 8.133 0.03 . 1 . . . . . . . . 7259 1 1010 . 1 1 93 93 GLY HA2 H 1 3.538 0.03 . 2 . . . . . . . . 7259 1 1011 . 1 1 93 93 GLY HA3 H 1 4.283 0.03 . 2 . . . . . . . . 7259 1 1012 . 1 1 93 93 GLY C C 13 172.593 0.3 . 1 . . . . . . . . 7259 1 1013 . 1 1 93 93 GLY CA C 13 45.727 0.3 . 1 . . . . . . . . 7259 1 1014 . 1 1 93 93 GLY N N 15 107.153 0.3 . 1 . . . . . . . . 7259 1 1015 . 1 1 94 94 GLN H H 1 8.085 0.03 . 1 . . . . . . . . 7259 1 1016 . 1 1 94 94 GLN HA H 1 4.156 0.03 . 1 . . . . . . . . 7259 1 1017 . 1 1 94 94 GLN HB2 H 1 1.646 0.03 . 2 . . . . . . . . 7259 1 1018 . 1 1 94 94 GLN HB3 H 1 2.226 0.03 . 2 . . . . . . . . 7259 1 1019 . 1 1 94 94 GLN HG2 H 1 1.798 0.03 . 2 . . . . . . . . 7259 1 1020 . 1 1 94 94 GLN HG3 H 1 2.018 0.03 . 2 . . . . . . . . 7259 1 1021 . 1 1 94 94 GLN HE21 H 1 6.924 0.03 . 2 . . . . . . . . 7259 1 1022 . 1 1 94 94 GLN HE22 H 1 7.515 0.03 . 2 . . . . . . . . 7259 1 1023 . 1 1 94 94 GLN CA C 13 53.121 0.3 . 1 . . . . . . . . 7259 1 1024 . 1 1 94 94 GLN CB C 13 28.641 0.3 . 1 . . . . . . . . 7259 1 1025 . 1 1 94 94 GLN CG C 13 31.821 0.3 . 1 . . . . . . . . 7259 1 1026 . 1 1 94 94 GLN N N 15 114.739 0.3 . 1 . . . . . . . . 7259 1 1027 . 1 1 94 94 GLN NE2 N 15 112.036 0.3 . 1 . . . . . . . . 7259 1 1028 . 1 1 95 95 PRO HA H 1 3.996 0.03 . 1 . . . . . . . . 7259 1 1029 . 1 1 95 95 PRO HB2 H 1 2.051 0.03 . 1 . . . . . . . . 7259 1 1030 . 1 1 95 95 PRO HB3 H 1 2.051 0.03 . 1 . . . . . . . . 7259 1 1031 . 1 1 95 95 PRO HG2 H 1 1.146 0.03 . 2 . . . . . . . . 7259 1 1032 . 1 1 95 95 PRO HG3 H 1 1.867 0.03 . 2 . . . . . . . . 7259 1 1033 . 1 1 95 95 PRO HD2 H 1 2.673 0.03 . 1 . . . . . . . . 7259 1 1034 . 1 1 95 95 PRO HD3 H 1 2.673 0.03 . 1 . . . . . . . . 7259 1 1035 . 1 1 95 95 PRO C C 13 177.076 0.3 . 1 . . . . . . . . 7259 1 1036 . 1 1 95 95 PRO CA C 13 62.339 0.3 . 1 . . . . . . . . 7259 1 1037 . 1 1 95 95 PRO CB C 13 31.115 0.3 . 1 . . . . . . . . 7259 1 1038 . 1 1 95 95 PRO CG C 13 27.689 0.3 . 1 . . . . . . . . 7259 1 1039 . 1 1 95 95 PRO CD C 13 48.605 0.3 . 1 . . . . . . . . 7259 1 1040 . 1 1 96 96 VAL H H 1 7.687 0.03 . 1 . . . . . . . . 7259 1 1041 . 1 1 96 96 VAL HA H 1 4.597 0.03 . 1 . . . . . . . . 7259 1 1042 . 1 1 96 96 VAL HB H 1 2.402 0.03 . 1 . . . . . . . . 7259 1 1043 . 1 1 96 96 VAL HG11 H 1 0.867 0.03 . 2 . . . . . . . . 7259 1 1044 . 1 1 96 96 VAL HG12 H 1 0.867 0.03 . 2 . . . . . . . . 7259 1 1045 . 1 1 96 96 VAL HG13 H 1 0.867 0.03 . 2 . . . . . . . . 7259 1 1046 . 1 1 96 96 VAL HG21 H 1 0.580 0.03 . 2 . . . . . . . . 7259 1 1047 . 1 1 96 96 VAL HG22 H 1 0.580 0.03 . 2 . . . . . . . . 7259 1 1048 . 1 1 96 96 VAL HG23 H 1 0.580 0.03 . 2 . . . . . . . . 7259 1 1049 . 1 1 96 96 VAL CA C 13 59.810 0.3 . 1 . . . . . . . . 7259 1 1050 . 1 1 96 96 VAL CB C 13 30.300 0.3 . 1 . . . . . . . . 7259 1 1051 . 1 1 96 96 VAL CG1 C 13 21.775 0.3 . 2 . . . . . . . . 7259 1 1052 . 1 1 96 96 VAL CG2 C 13 17.942 0.3 . 2 . . . . . . . . 7259 1 1053 . 1 1 96 96 VAL N N 15 122.768 0.3 . 1 . . . . . . . . 7259 1 1054 . 1 1 97 97 PRO HA H 1 4.453 0.03 . 1 . . . . . . . . 7259 1 1055 . 1 1 97 97 PRO HB2 H 1 2.221 0.03 . 2 . . . . . . . . 7259 1 1056 . 1 1 97 97 PRO HB3 H 1 2.409 0.03 . 2 . . . . . . . . 7259 1 1057 . 1 1 97 97 PRO HG2 H 1 1.913 0.03 . 2 . . . . . . . . 7259 1 1058 . 1 1 97 97 PRO HG3 H 1 2.042 0.03 . 2 . . . . . . . . 7259 1 1059 . 1 1 97 97 PRO HD2 H 1 3.733 0.03 . 1 . . . . . . . . 7259 1 1060 . 1 1 97 97 PRO HD3 H 1 3.733 0.03 . 1 . . . . . . . . 7259 1 1061 . 1 1 97 97 PRO C C 13 176.530 0.3 . 1 . . . . . . . . 7259 1 1062 . 1 1 97 97 PRO CA C 13 63.659 0.3 . 1 . . . . . . . . 7259 1 1063 . 1 1 97 97 PRO CB C 13 31.782 0.3 . 1 . . . . . . . . 7259 1 1064 . 1 1 97 97 PRO CG C 13 28.137 0.3 . 1 . . . . . . . . 7259 1 1065 . 1 1 97 97 PRO CD C 13 50.595 0.3 . 1 . . . . . . . . 7259 1 1066 . 1 1 98 98 VAL H H 1 8.691 0.03 . 1 . . . . . . . . 7259 1 1067 . 1 1 98 98 VAL HA H 1 4.285 0.03 . 1 . . . . . . . . 7259 1 1068 . 1 1 98 98 VAL HB H 1 1.925 0.03 . 1 . . . . . . . . 7259 1 1069 . 1 1 98 98 VAL HG11 H 1 0.820 0.03 . 2 . . . . . . . . 7259 1 1070 . 1 1 98 98 VAL HG12 H 1 0.820 0.03 . 2 . . . . . . . . 7259 1 1071 . 1 1 98 98 VAL HG13 H 1 0.820 0.03 . 2 . . . . . . . . 7259 1 1072 . 1 1 98 98 VAL HG21 H 1 0.684 0.03 . 2 . . . . . . . . 7259 1 1073 . 1 1 98 98 VAL HG22 H 1 0.684 0.03 . 2 . . . . . . . . 7259 1 1074 . 1 1 98 98 VAL HG23 H 1 0.684 0.03 . 2 . . . . . . . . 7259 1 1075 . 1 1 98 98 VAL C C 13 177.085 0.3 . 1 . . . . . . . . 7259 1 1076 . 1 1 98 98 VAL CA C 13 63.864 0.3 . 1 . . . . . . . . 7259 1 1077 . 1 1 98 98 VAL CB C 13 32.024 0.3 . 1 . . . . . . . . 7259 1 1078 . 1 1 98 98 VAL CG1 C 13 23.109 0.3 . 2 . . . . . . . . 7259 1 1079 . 1 1 98 98 VAL CG2 C 13 21.588 0.3 . 2 . . . . . . . . 7259 1 1080 . 1 1 98 98 VAL N N 15 124.456 0.3 . 1 . . . . . . . . 7259 1 1081 . 1 1 99 99 GLU H H 1 11.633 0.03 . 1 . . . . . . . . 7259 1 1082 . 1 1 99 99 GLU HA H 1 4.817 0.03 . 1 . . . . . . . . 7259 1 1083 . 1 1 99 99 GLU HB2 H 1 1.488 0.03 . 1 . . . . . . . . 7259 1 1084 . 1 1 99 99 GLU HB3 H 1 1.488 0.03 . 1 . . . . . . . . 7259 1 1085 . 1 1 99 99 GLU HG2 H 1 2.402 0.03 . 1 . . . . . . . . 7259 1 1086 . 1 1 99 99 GLU HG3 H 1 2.402 0.03 . 1 . . . . . . . . 7259 1 1087 . 1 1 99 99 GLU CA C 13 54.463 0.3 . 1 . . . . . . . . 7259 1 1088 . 1 1 99 99 GLU CB C 13 33.152 0.3 . 1 . . . . . . . . 7259 1 1089 . 1 1 99 99 GLU CG C 13 36.563 0.3 . 1 . . . . . . . . 7259 1 1090 . 1 1 99 99 GLU N N 15 134.700 0.3 . 1 . . . . . . . . 7259 1 1091 . 1 1 100 100 CYS HA H 1 3.966 0.03 . 1 . . . . . . . . 7259 1 1092 . 1 1 100 100 CYS HB2 H 1 3.007 0.03 . 1 . . . . . . . . 7259 1 1093 . 1 1 100 100 CYS HB3 H 1 3.067 0.03 . 1 . . . . . . . . 7259 1 1094 . 1 1 100 100 CYS C C 13 178.440 0.3 . 1 . . . . . . . . 7259 1 1095 . 1 1 100 100 CYS CA C 13 64.147 0.3 . 1 . . . . . . . . 7259 1 1096 . 1 1 100 100 CYS CB C 13 26.142 0.3 . 1 . . . . . . . . 7259 1 1097 . 1 1 101 101 ARG H H 1 8.338 0.03 . 1 . . . . . . . . 7259 1 1098 . 1 1 101 101 ARG HA H 1 4.290 0.03 . 1 . . . . . . . . 7259 1 1099 . 1 1 101 101 ARG HB2 H 1 1.844 0.03 . 1 . . . . . . . . 7259 1 1100 . 1 1 101 101 ARG HB3 H 1 1.844 0.03 . 1 . . . . . . . . 7259 1 1101 . 1 1 101 101 ARG HG2 H 1 0.799 0.03 . 2 . . . . . . . . 7259 1 1102 . 1 1 101 101 ARG HG3 H 1 0.996 0.03 . 2 . . . . . . . . 7259 1 1103 . 1 1 101 101 ARG HD2 H 1 2.989 0.03 . 1 . . . . . . . . 7259 1 1104 . 1 1 101 101 ARG HD3 H 1 2.989 0.03 . 1 . . . . . . . . 7259 1 1105 . 1 1 101 101 ARG HE H 1 7.166 0.03 . 1 . . . . . . . . 7259 1 1106 . 1 1 101 101 ARG C C 13 176.948 0.3 . 1 . . . . . . . . 7259 1 1107 . 1 1 101 101 ARG CA C 13 57.406 0.3 . 1 . . . . . . . . 7259 1 1108 . 1 1 101 101 ARG CB C 13 27.963 0.3 . 1 . . . . . . . . 7259 1 1109 . 1 1 101 101 ARG CG C 13 26.546 0.3 . 1 . . . . . . . . 7259 1 1110 . 1 1 101 101 ARG CD C 13 42.615 0.3 . 1 . . . . . . . . 7259 1 1111 . 1 1 101 101 ARG N N 15 114.357 0.3 . 1 . . . . . . . . 7259 1 1112 . 1 1 101 101 ARG NE N 15 115.059 0.3 . 1 . . . . . . . . 7259 1 1113 . 1 1 102 102 HIS H H 1 7.949 0.03 . 1 . . . . . . . . 7259 1 1114 . 1 1 102 102 HIS HA H 1 4.547 0.03 . 1 . . . . . . . . 7259 1 1115 . 1 1 102 102 HIS HB2 H 1 3.442 0.03 . 2 . . . . . . . . 7259 1 1116 . 1 1 102 102 HIS HB3 H 1 3.666 0.03 . 2 . . . . . . . . 7259 1 1117 . 1 1 102 102 HIS C C 13 175.640 0.3 . 1 . . . . . . . . 7259 1 1118 . 1 1 102 102 HIS CA C 13 58.219 0.3 . 1 . . . . . . . . 7259 1 1119 . 1 1 102 102 HIS CB C 13 34.769 0.3 . 1 . . . . . . . . 7259 1 1120 . 1 1 102 102 HIS N N 15 119.231 0.3 . 1 . . . . . . . . 7259 1 1121 . 1 1 103 103 ARG H H 1 7.597 0.03 . 1 . . . . . . . . 7259 1 1122 . 1 1 103 103 ARG HA H 1 4.476 0.03 . 1 . . . . . . . . 7259 1 1123 . 1 1 103 103 ARG HB2 H 1 1.887 0.03 . 2 . . . . . . . . 7259 1 1124 . 1 1 103 103 ARG HB3 H 1 1.973 0.03 . 2 . . . . . . . . 7259 1 1125 . 1 1 103 103 ARG HG2 H 1 1.304 0.03 . 1 . . . . . . . . 7259 1 1126 . 1 1 103 103 ARG HG3 H 1 1.304 0.03 . 1 . . . . . . . . 7259 1 1127 . 1 1 103 103 ARG HD2 H 1 3.173 0.03 . 1 . . . . . . . . 7259 1 1128 . 1 1 103 103 ARG HD3 H 1 3.173 0.03 . 1 . . . . . . . . 7259 1 1129 . 1 1 103 103 ARG HE H 1 7.606 0.03 . 1 . . . . . . . . 7259 1 1130 . 1 1 103 103 ARG C C 13 177.183 0.3 . 1 . . . . . . . . 7259 1 1131 . 1 1 103 103 ARG CA C 13 57.714 0.3 . 1 . . . . . . . . 7259 1 1132 . 1 1 103 103 ARG CB C 13 31.694 0.3 . 1 . . . . . . . . 7259 1 1133 . 1 1 103 103 ARG CG C 13 28.683 0.3 . 1 . . . . . . . . 7259 1 1134 . 1 1 103 103 ARG CD C 13 43.376 0.3 . 1 . . . . . . . . 7259 1 1135 . 1 1 103 103 ARG N N 15 115.950 0.3 . 1 . . . . . . . . 7259 1 1136 . 1 1 103 103 ARG NE N 15 115.038 0.3 . 1 . . . . . . . . 7259 1 1137 . 1 1 104 104 LEU H H 1 8.202 0.03 . 1 . . . . . . . . 7259 1 1138 . 1 1 104 104 LEU HA H 1 4.558 0.03 . 1 . . . . . . . . 7259 1 1139 . 1 1 104 104 LEU HB2 H 1 1.461 0.03 . 1 . . . . . . . . 7259 1 1140 . 1 1 104 104 LEU HB3 H 1 1.461 0.03 . 1 . . . . . . . . 7259 1 1141 . 1 1 104 104 LEU HG H 1 1.177 0.03 . 1 . . . . . . . . 7259 1 1142 . 1 1 104 104 LEU HD11 H 1 0.757 0.03 . 2 . . . . . . . . 7259 1 1143 . 1 1 104 104 LEU HD12 H 1 0.757 0.03 . 2 . . . . . . . . 7259 1 1144 . 1 1 104 104 LEU HD13 H 1 0.757 0.03 . 2 . . . . . . . . 7259 1 1145 . 1 1 104 104 LEU HD21 H 1 0.876 0.03 . 2 . . . . . . . . 7259 1 1146 . 1 1 104 104 LEU HD22 H 1 0.876 0.03 . 2 . . . . . . . . 7259 1 1147 . 1 1 104 104 LEU HD23 H 1 0.876 0.03 . 2 . . . . . . . . 7259 1 1148 . 1 1 104 104 LEU C C 13 173.868 0.3 . 1 . . . . . . . . 7259 1 1149 . 1 1 104 104 LEU CA C 13 53.627 0.3 . 1 . . . . . . . . 7259 1 1150 . 1 1 104 104 LEU CB C 13 41.641 0.3 . 1 . . . . . . . . 7259 1 1151 . 1 1 104 104 LEU CG C 13 27.334 0.3 . 1 . . . . . . . . 7259 1 1152 . 1 1 104 104 LEU CD1 C 13 23.000 0.3 . 1 . . . . . . . . 7259 1 1153 . 1 1 104 104 LEU CD2 C 13 23.000 0.3 . 1 . . . . . . . . 7259 1 1154 . 1 1 104 104 LEU N N 15 124.304 0.3 . 1 . . . . . . . . 7259 1 1155 . 1 1 105 105 GLU H H 1 7.443 0.03 . 1 . . . . . . . . 7259 1 1156 . 1 1 105 105 GLU HA H 1 4.205 0.03 . 1 . . . . . . . . 7259 1 1157 . 1 1 105 105 GLU HB2 H 1 1.918 0.03 . 2 . . . . . . . . 7259 1 1158 . 1 1 105 105 GLU HB3 H 1 2.048 0.03 . 2 . . . . . . . . 7259 1 1159 . 1 1 105 105 GLU HG2 H 1 2.101 0.03 . 2 . . . . . . . . 7259 1 1160 . 1 1 105 105 GLU HG3 H 1 2.196 0.03 . 2 . . . . . . . . 7259 1 1161 . 1 1 105 105 GLU CA C 13 57.019 0.3 . 1 . . . . . . . . 7259 1 1162 . 1 1 105 105 GLU CB C 13 31.783 0.3 . 1 . . . . . . . . 7259 1 1163 . 1 1 105 105 GLU CG C 13 36.053 0.3 . 1 . . . . . . . . 7259 1 1164 . 1 1 105 105 GLU N N 15 122.112 0.3 . 1 . . . . . . . . 7259 1 stop_ save_