data_17109 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17109 _Entry.Title ; The Structure of the Family D Sortase from Bacillus anthracis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2014-03-04 _Entry.Original_release_date 2014-03-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'The Solution Structure of the Family D Sortase from Bacillus anthracis' _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 Scott Robson . A. . 17109 2 Ethan Weiner . . . 17109 3 Alex Jacobitz . . . 17109 4 Robert Clubb . T. . 17109 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17109 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Family D Sortase' . 17109 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17109 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 528 17109 '15N chemical shifts' 128 17109 '1H chemical shifts' 827 17109 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 . . 2014-03-04 2010-08-09 original author . 17109 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17109 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22974341 _Citation.Full_citation . _Citation.Title 'Solution structure of the sortase required for efficient production of infectious Bacillus anthracis spores.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 40 _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 7953 _Citation.Page_last 7963 _Citation.Year 2012 _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 Scott Robson . A. . 17109 1 2 Alex Jacobitz . W. . 17109 1 3 Martin Phillips . L. . 17109 1 4 Robert Clubb . T. . 17109 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17109 _Assembly.ID 1 _Assembly.Name 'Family D Sortase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Family D Sortase' 1 $Sortase A . yes native no no . . . 17109 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sortase _Entity.Sf_category entity _Entity.Sf_framecode Sortase _Entity.Entry_ID 17109 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sortase _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMSSQTEHKEGEKVAMLN IPKLKKKFSIYWGADDATLK KGVGMFVSDVTTTPSGGGHT VLSGHRDTVFTDLGQLKEKD TLVLEYDNKTYTYEIQKIWI THADDRTVIIKKEEPILTLT TCYPFDYIGDAPDRYIIEAK LTGSYSK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment Ba_SrtD56-198 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16547.906 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Family D Sortase' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 yes GB AAP28746.1 . . . . . . . . . . . . . . . . 17109 1 2 no BMRB 18152 . entity . . . . . 100.00 147 100.00 100.00 8.00e-102 . . . . 17109 1 3 no PDB 2LN7 . "Backbone 1h, 13c, And 15n Chemical Shift Assignments For The Catalytic Domain Of B. Anthracis Srtd" . . . . . 100.00 147 100.00 100.00 8.00e-102 . . . . 17109 1 4 no DBJ BAR74314 . "uncharacterized protein yhcS [Bacillus anthracis]" . . . . . 97.28 206 100.00 100.00 2.48e-98 . . . . 17109 1 5 no DBJ GAF00419 . "LPXTG-site transpeptidase family protein [Bacillus anthracis CZC5]" . . . . . 97.28 206 100.00 100.00 2.48e-98 . . . . 17109 1 6 no DBJ GAO61843 . "LPXTG-site transpeptidase family protein [Bacillus anthracis]" . . . . . 97.28 206 100.00 100.00 2.48e-98 . . . . 17109 1 7 no DBJ GAO67625 . "LPXTG-site transpeptidase family protein [Bacillus anthracis]" . . . . . 97.28 206 100.00 100.00 2.48e-98 . . . . 17109 1 8 no EMBL COE74822 . "sortase-like protein [Streptococcus pneumoniae]" . . . . . 97.28 206 99.30 100.00 2.25e-97 . . . . 17109 1 9 no EMBL CUB43016 . "Sortase family protein [Bacillus cereus]" . . . . . 97.28 206 97.90 100.00 9.17e-96 . . . . 17109 1 10 no EMBL CUB56473 . "Sortase family protein [Bacillus subtilis]" . . . . . 97.28 206 100.00 100.00 3.02e-98 . . . . 17109 1 11 no GB AAP28746 . "LPXTG-site transpeptidase family protein [Bacillus anthracis str. Ames]" . . . . . 97.28 198 100.00 100.00 2.02e-98 . . . . 17109 1 12 no GB AAT34193 . "LPXTG-site transpeptidase family protein [Bacillus anthracis str. 'Ames Ancestor']" . . . . . 97.28 198 100.00 100.00 2.02e-98 . . . . 17109 1 13 no GB AAT57002 . "LPXTG-site transpeptidase family protein [Bacillus anthracis str. Sterne]" . . . . . 97.28 206 100.00 100.00 2.48e-98 . . . . 17109 1 14 no GB AAT63578 . "fimbria-associated protein; possible sortase family protein [Bacillus thuringiensis serovar konkukian str. 97-27]" . . . . . 97.28 206 99.30 100.00 2.25e-97 . . . . 17109 1 15 no GB ABK87585 . "sortase family protein [Bacillus thuringiensis str. Al Hakam]" . . . . . 97.28 206 99.30 100.00 6.13e-98 . . . . 17109 1 16 no REF NP_847260 . "transpeptidase [Bacillus anthracis str. Ames]" . . . . . 97.28 198 100.00 100.00 2.02e-98 . . . . 17109 1 17 no REF WP_000771569 . "sortase [Bacillus cereus]" . . . . . 97.28 206 97.20 99.30 1.91e-95 . . . . 17109 1 18 no REF WP_000771599 . "MULTISPECIES: sortase [Bacillus cereus group]" . . . . . 97.28 206 100.00 100.00 2.68e-98 . . . . 17109 1 19 no REF WP_000771600 . "sortase [Bacillus cereus]" . . . . . 97.28 206 98.60 99.30 2.15e-97 . . . . 17109 1 20 no REF WP_000771601 . "MULTISPECIES: sortase [Bacillus cereus group]" . . . . . 97.28 206 99.30 100.00 6.13e-98 . . . . 17109 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 . 17109 1 2 . SER . 17109 1 3 . HIS . 17109 1 4 . MET . 17109 1 5 . SER . 17109 1 6 . SER . 17109 1 7 . GLN . 17109 1 8 . THR . 17109 1 9 . GLU . 17109 1 10 . HIS . 17109 1 11 . LYS . 17109 1 12 . GLU . 17109 1 13 . GLY . 17109 1 14 . GLU . 17109 1 15 . LYS . 17109 1 16 . VAL . 17109 1 17 . ALA . 17109 1 18 . MET . 17109 1 19 . LEU . 17109 1 20 . ASN . 17109 1 21 . ILE . 17109 1 22 . PRO . 17109 1 23 . LYS . 17109 1 24 . LEU . 17109 1 25 . LYS . 17109 1 26 . LYS . 17109 1 27 . LYS . 17109 1 28 . PHE . 17109 1 29 . SER . 17109 1 30 . ILE . 17109 1 31 . TYR . 17109 1 32 . TRP . 17109 1 33 . GLY . 17109 1 34 . ALA . 17109 1 35 . ASP . 17109 1 36 . ASP . 17109 1 37 . ALA . 17109 1 38 . THR . 17109 1 39 . LEU . 17109 1 40 . LYS . 17109 1 41 . LYS . 17109 1 42 . GLY . 17109 1 43 . VAL . 17109 1 44 . GLY . 17109 1 45 . MET . 17109 1 46 . PHE . 17109 1 47 . VAL . 17109 1 48 . SER . 17109 1 49 . ASP . 17109 1 50 . VAL . 17109 1 51 . THR . 17109 1 52 . THR . 17109 1 53 . THR . 17109 1 54 . PRO . 17109 1 55 . SER . 17109 1 56 . GLY . 17109 1 57 . GLY . 17109 1 58 . GLY . 17109 1 59 . HIS . 17109 1 60 . THR . 17109 1 61 . VAL . 17109 1 62 . LEU . 17109 1 63 . SER . 17109 1 64 . GLY . 17109 1 65 . HIS . 17109 1 66 . ARG . 17109 1 67 . ASP . 17109 1 68 . THR . 17109 1 69 . VAL . 17109 1 70 . PHE . 17109 1 71 . THR . 17109 1 72 . ASP . 17109 1 73 . LEU . 17109 1 74 . GLY . 17109 1 75 . GLN . 17109 1 76 . LEU . 17109 1 77 . LYS . 17109 1 78 . GLU . 17109 1 79 . LYS . 17109 1 80 . ASP . 17109 1 81 . THR . 17109 1 82 . LEU . 17109 1 83 . VAL . 17109 1 84 . LEU . 17109 1 85 . GLU . 17109 1 86 . TYR . 17109 1 87 . ASP . 17109 1 88 . ASN . 17109 1 89 . LYS . 17109 1 90 . THR . 17109 1 91 . TYR . 17109 1 92 . THR . 17109 1 93 . TYR . 17109 1 94 . GLU . 17109 1 95 . ILE . 17109 1 96 . GLN . 17109 1 97 . LYS . 17109 1 98 . ILE . 17109 1 99 . TRP . 17109 1 100 . ILE . 17109 1 101 . THR . 17109 1 102 . HIS . 17109 1 103 . ALA . 17109 1 104 . ASP . 17109 1 105 . ASP . 17109 1 106 . ARG . 17109 1 107 . THR . 17109 1 108 . VAL . 17109 1 109 . ILE . 17109 1 110 . ILE . 17109 1 111 . LYS . 17109 1 112 . LYS . 17109 1 113 . GLU . 17109 1 114 . GLU . 17109 1 115 . PRO . 17109 1 116 . ILE . 17109 1 117 . LEU . 17109 1 118 . THR . 17109 1 119 . LEU . 17109 1 120 . THR . 17109 1 121 . THR . 17109 1 122 . CYS . 17109 1 123 . TYR . 17109 1 124 . PRO . 17109 1 125 . PHE . 17109 1 126 . ASP . 17109 1 127 . TYR . 17109 1 128 . ILE . 17109 1 129 . GLY . 17109 1 130 . ASP . 17109 1 131 . ALA . 17109 1 132 . PRO . 17109 1 133 . ASP . 17109 1 134 . ARG . 17109 1 135 . TYR . 17109 1 136 . ILE . 17109 1 137 . ILE . 17109 1 138 . GLU . 17109 1 139 . ALA . 17109 1 140 . LYS . 17109 1 141 . LEU . 17109 1 142 . THR . 17109 1 143 . GLY . 17109 1 144 . SER . 17109 1 145 . TYR . 17109 1 146 . SER . 17109 1 147 . LYS . 17109 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 17109 1 . SER 2 2 17109 1 . HIS 3 3 17109 1 . MET 4 4 17109 1 . SER 5 5 17109 1 . SER 6 6 17109 1 . GLN 7 7 17109 1 . THR 8 8 17109 1 . GLU 9 9 17109 1 . HIS 10 10 17109 1 . LYS 11 11 17109 1 . GLU 12 12 17109 1 . GLY 13 13 17109 1 . GLU 14 14 17109 1 . LYS 15 15 17109 1 . VAL 16 16 17109 1 . ALA 17 17 17109 1 . MET 18 18 17109 1 . LEU 19 19 17109 1 . ASN 20 20 17109 1 . ILE 21 21 17109 1 . PRO 22 22 17109 1 . LYS 23 23 17109 1 . LEU 24 24 17109 1 . LYS 25 25 17109 1 . LYS 26 26 17109 1 . LYS 27 27 17109 1 . PHE 28 28 17109 1 . SER 29 29 17109 1 . ILE 30 30 17109 1 . TYR 31 31 17109 1 . TRP 32 32 17109 1 . GLY 33 33 17109 1 . ALA 34 34 17109 1 . ASP 35 35 17109 1 . ASP 36 36 17109 1 . ALA 37 37 17109 1 . THR 38 38 17109 1 . LEU 39 39 17109 1 . LYS 40 40 17109 1 . LYS 41 41 17109 1 . GLY 42 42 17109 1 . VAL 43 43 17109 1 . GLY 44 44 17109 1 . MET 45 45 17109 1 . PHE 46 46 17109 1 . VAL 47 47 17109 1 . SER 48 48 17109 1 . ASP 49 49 17109 1 . VAL 50 50 17109 1 . THR 51 51 17109 1 . THR 52 52 17109 1 . THR 53 53 17109 1 . PRO 54 54 17109 1 . SER 55 55 17109 1 . GLY 56 56 17109 1 . GLY 57 57 17109 1 . GLY 58 58 17109 1 . HIS 59 59 17109 1 . THR 60 60 17109 1 . VAL 61 61 17109 1 . LEU 62 62 17109 1 . SER 63 63 17109 1 . GLY 64 64 17109 1 . HIS 65 65 17109 1 . ARG 66 66 17109 1 . ASP 67 67 17109 1 . THR 68 68 17109 1 . VAL 69 69 17109 1 . PHE 70 70 17109 1 . THR 71 71 17109 1 . ASP 72 72 17109 1 . LEU 73 73 17109 1 . GLY 74 74 17109 1 . GLN 75 75 17109 1 . LEU 76 76 17109 1 . LYS 77 77 17109 1 . GLU 78 78 17109 1 . LYS 79 79 17109 1 . ASP 80 80 17109 1 . THR 81 81 17109 1 . LEU 82 82 17109 1 . VAL 83 83 17109 1 . LEU 84 84 17109 1 . GLU 85 85 17109 1 . TYR 86 86 17109 1 . ASP 87 87 17109 1 . ASN 88 88 17109 1 . LYS 89 89 17109 1 . THR 90 90 17109 1 . TYR 91 91 17109 1 . THR 92 92 17109 1 . TYR 93 93 17109 1 . GLU 94 94 17109 1 . ILE 95 95 17109 1 . GLN 96 96 17109 1 . LYS 97 97 17109 1 . ILE 98 98 17109 1 . TRP 99 99 17109 1 . ILE 100 100 17109 1 . THR 101 101 17109 1 . HIS 102 102 17109 1 . ALA 103 103 17109 1 . ASP 104 104 17109 1 . ASP 105 105 17109 1 . ARG 106 106 17109 1 . THR 107 107 17109 1 . VAL 108 108 17109 1 . ILE 109 109 17109 1 . ILE 110 110 17109 1 . LYS 111 111 17109 1 . LYS 112 112 17109 1 . GLU 113 113 17109 1 . GLU 114 114 17109 1 . PRO 115 115 17109 1 . ILE 116 116 17109 1 . LEU 117 117 17109 1 . THR 118 118 17109 1 . LEU 119 119 17109 1 . THR 120 120 17109 1 . THR 121 121 17109 1 . CYS 122 122 17109 1 . TYR 123 123 17109 1 . PRO 124 124 17109 1 . PHE 125 125 17109 1 . ASP 126 126 17109 1 . TYR 127 127 17109 1 . ILE 128 128 17109 1 . GLY 129 129 17109 1 . ASP 130 130 17109 1 . ALA 131 131 17109 1 . PRO 132 132 17109 1 . ASP 133 133 17109 1 . ARG 134 134 17109 1 . TYR 135 135 17109 1 . ILE 136 136 17109 1 . ILE 137 137 17109 1 . GLU 138 138 17109 1 . ALA 139 139 17109 1 . LYS 140 140 17109 1 . LEU 141 141 17109 1 . THR 142 142 17109 1 . GLY 143 143 17109 1 . SER 144 144 17109 1 . TYR 145 145 17109 1 . SER 146 146 17109 1 . LYS 147 147 17109 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 17109 _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 $Sortase . 1392 organism . 'Bacillus anthracis' Anthrax . . Bacteria . Bacillus anthracis Sterne . . . . . . . . . . . . . . . . . . . . 17109 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 17109 _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 $Sortase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 17109 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SrtD _Sample.Sf_category sample _Sample.Sf_framecode SrtD _Sample.Entry_ID 17109 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SrtD '[U-100% 13C; U-100% 15N]' . . 1 $Sortase . . 1 . . mM . . . . 17109 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 17109 1 3 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 17109 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17109 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17109 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17109 _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' 0.05 . M 17109 1 pH 6 . pH 17109 1 pressure 1 . atm 17109 1 temperature 298 . K 17109 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17109 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17109 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17109 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17109 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17109 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17109 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17109 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 17109 1 2 spectrometer_2 Bruker Avance . 600 . . . 17109 1 3 spectrometer_3 Bruker Avance . 800 . . . 17109 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 17109 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $SrtD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17109 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $SrtD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17109 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $SrtD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17109 1 4 '3D HNCO' no . . . . . . . . . . 1 $SrtD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17109 1 5 '3D HNCA' no . . . . . . . . . . 1 $SrtD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17109 1 6 '3D HNCACB' no . . . . . . . . . . 1 $SrtD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17109 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $SrtD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17109 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $SrtD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17109 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $SrtD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17109 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $SrtD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17109 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17109 _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 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17109 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17109 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17109 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17109 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17109 1 3 '3D CBCA(CO)NH' . . . 17109 1 4 '3D HNCO' . . . 17109 1 6 '3D HNCACB' . . . 17109 1 7 '3D HBHA(CO)NH' . . . 17109 1 8 '3D HCCH-TOCSY' . . . 17109 1 9 '3D 1H-15N NOESY' . . . 17109 1 10 '3D 1H-13C NOESY' . . . 17109 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 17109 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 7 7 GLN H H 1 8.175 0.000 . 1 . . . . 7 GLN H . 17109 1 2 . 1 1 7 7 GLN CA C 13 55.218 0.000 . 1 . . . . 7 GLN CA . 17109 1 3 . 1 1 7 7 GLN CB C 13 28.842 0.000 . 1 . . . . 7 GLN CB . 17109 1 4 . 1 1 7 7 GLN N N 15 122.368 0.000 . 1 . . . . 7 GLN N . 17109 1 5 . 1 1 8 8 THR H H 1 8.027 0.000 . 1 . . . . 8 THR H . 17109 1 6 . 1 1 8 8 THR HA H 1 4.189 0.000 . 1 . . . . 8 THR HA . 17109 1 7 . 1 1 8 8 THR HB H 1 4.011 0.000 . 1 . . . . 8 THR HB . 17109 1 8 . 1 1 8 8 THR HG21 H 1 0.988 0.000 . . . . . . 8 THR QG2 . 17109 1 9 . 1 1 8 8 THR HG22 H 1 0.988 0.000 . . . . . . 8 THR QG2 . 17109 1 10 . 1 1 8 8 THR HG23 H 1 0.988 0.000 . . . . . . 8 THR QG2 . 17109 1 11 . 1 1 8 8 THR C C 13 13.961 0.000 . 1 . . . . 8 THR C . 17109 1 12 . 1 1 8 8 THR CA C 13 61.486 0.000 . 1 . . . . 8 THR CA . 17109 1 13 . 1 1 8 8 THR CB C 13 69.316 0.000 . 1 . . . . 8 THR CB . 17109 1 14 . 1 1 8 8 THR CG2 C 13 21.288 0.000 . 1 . . . . 8 THR CG2 . 17109 1 15 . 1 1 8 8 THR N N 15 115.175 0.000 . 1 . . . . 8 THR N . 17109 1 16 . 1 1 9 9 GLU H H 1 8.233 0.000 . 1 . . . . 9 GLU H . 17109 1 17 . 1 1 9 9 GLU HA H 1 4.060 0.000 . 1 . . . . 9 GLU HA . 17109 1 18 . 1 1 9 9 GLU HB2 H 1 1.777 0.000 . 2 . . . . 9 GLU HB2 . 17109 1 19 . 1 1 9 9 GLU HB3 H 1 1.652 0.000 . 2 . . . . 9 GLU HB3 . 17109 1 20 . 1 1 9 9 GLU HG2 H 1 2.040 0.000 . 2 . . . . 9 GLU HG2 . 17109 1 21 . 1 1 9 9 GLU HG3 H 1 1.959 0.000 . 2 . . . . 9 GLU HG3 . 17109 1 22 . 1 1 9 9 GLU C C 13 15.555 0.000 . 1 . . . . 9 GLU C . 17109 1 23 . 1 1 9 9 GLU CA C 13 55.868 0.000 . 1 . . . . 9 GLU CA . 17109 1 24 . 1 1 9 9 GLU CB C 13 29.611 0.000 . 1 . . . . 9 GLU CB . 17109 1 25 . 1 1 9 9 GLU CG C 13 35.772 0.000 . 1 . . . . 9 GLU CG . 17109 1 26 . 1 1 9 9 GLU N N 15 123.496 0.000 . 1 . . . . 9 GLU N . 17109 1 27 . 1 1 10 10 HIS H H 1 7.369 0.000 . 1 . . . . 10 HIS H . 17109 1 28 . 1 1 10 10 HIS HA H 1 4.413 0.000 . 1 . . . . 10 HIS HA . 17109 1 29 . 1 1 10 10 HIS HB2 H 1 1.948 0.000 . 2 . . . . 10 HIS HB2 . 17109 1 30 . 1 1 10 10 HIS HB3 H 1 0.868 0.000 . 2 . . . . 10 HIS HB3 . 17109 1 31 . 1 1 10 10 HIS C C 13 13.742 0.000 . 1 . . . . 10 HIS C . 17109 1 32 . 1 1 10 10 HIS CA C 13 53.932 0.000 . 1 . . . . 10 HIS CA . 17109 1 33 . 1 1 10 10 HIS CB C 13 28.922 0.000 . 1 . . . . 10 HIS CB . 17109 1 34 . 1 1 10 10 HIS N N 15 119.084 0.000 . 1 . . . . 10 HIS N . 17109 1 35 . 1 1 11 11 LYS H H 1 8.409 0.000 . 1 . . . . 11 LYS H . 17109 1 36 . 1 1 11 11 LYS HA H 1 4.469 0.000 . 1 . . . . 11 LYS HA . 17109 1 37 . 1 1 11 11 LYS HB2 H 1 1.793 0.000 . 2 . . . . 11 LYS HB2 . 17109 1 38 . 1 1 11 11 LYS HB3 H 1 1.607 0.000 . 2 . . . . 11 LYS HB3 . 17109 1 39 . 1 1 11 11 LYS HD2 H 1 1.660 0.000 . 2 . . . . 11 LYS HD2 . 17109 1 40 . 1 1 11 11 LYS HE2 H 1 2.945 0.000 . 2 . . . . 11 LYS HE2 . 17109 1 41 . 1 1 11 11 LYS HG2 H 1 1.356 0.000 . 2 . . . . 11 LYS HG2 . 17109 1 42 . 1 1 11 11 LYS C C 13 16.210 0.000 . 1 . . . . 11 LYS C . 17109 1 43 . 1 1 11 11 LYS CA C 13 54.245 0.000 . 1 . . . . 11 LYS CA . 17109 1 44 . 1 1 11 11 LYS CB C 13 33.548 0.000 . 1 . . . . 11 LYS CB . 17109 1 45 . 1 1 11 11 LYS CD C 13 28.945 0.000 . 1 . . . . 11 LYS CD . 17109 1 46 . 1 1 11 11 LYS CE C 13 41.718 0.000 . 1 . . . . 11 LYS CE . 17109 1 47 . 1 1 11 11 LYS CG C 13 24.707 0.000 . 1 . . . . 11 LYS CG . 17109 1 48 . 1 1 11 11 LYS N N 15 121.509 0.000 . 1 . . . . 11 LYS N . 17109 1 49 . 1 1 12 12 GLU H H 1 8.926 0.000 . 1 . . . . 12 GLU H . 17109 1 50 . 1 1 12 12 GLU HA H 1 4.240 0.000 . 1 . . . . 12 GLU HA . 17109 1 51 . 1 1 12 12 GLU HB2 H 1 2.069 0.000 . 2 . . . . 12 GLU HB2 . 17109 1 52 . 1 1 12 12 GLU HB3 H 1 2.018 0.000 . 2 . . . . 12 GLU HB3 . 17109 1 53 . 1 1 12 12 GLU HG2 H 1 2.384 0.000 . 2 . . . . 12 GLU HG2 . 17109 1 54 . 1 1 12 12 GLU HG3 H 1 2.299 0.000 . 2 . . . . 12 GLU HG3 . 17109 1 55 . 1 1 12 12 GLU C C 13 18.023 0.000 . 1 . . . . 12 GLU C . 17109 1 56 . 1 1 12 12 GLU CA C 13 58.350 0.000 . 1 . . . . 12 GLU CA . 17109 1 57 . 1 1 12 12 GLU CB C 13 29.254 0.000 . 1 . . . . 12 GLU CB . 17109 1 58 . 1 1 12 12 GLU CG C 13 36.392 0.000 . 1 . . . . 12 GLU CG . 17109 1 59 . 1 1 12 12 GLU N N 15 122.841 0.000 . 1 . . . . 12 GLU N . 17109 1 60 . 1 1 13 13 GLY H H 1 9.725 0.000 . 1 . . . . 13 GLY H . 17109 1 61 . 1 1 13 13 GLY HA2 H 1 4.354 0.000 . 2 . . . . 13 GLY HA2 . 17109 1 62 . 1 1 13 13 GLY HA3 H 1 3.741 0.000 . 2 . . . . 13 GLY HA3 . 17109 1 63 . 1 1 13 13 GLY C C 13 14.141 0.000 . 1 . . . . 13 GLY C . 17109 1 64 . 1 1 13 13 GLY CA C 13 45.243 0.000 . 1 . . . . 13 GLY CA . 17109 1 65 . 1 1 13 13 GLY N N 15 113.215 0.000 . 1 . . . . 13 GLY N . 17109 1 66 . 1 1 14 14 GLU H H 1 8.294 0.000 . 1 . . . . 14 GLU H . 17109 1 67 . 1 1 14 14 GLU HA H 1 4.499 0.000 . 1 . . . . 14 GLU HA . 17109 1 68 . 1 1 14 14 GLU HB2 H 1 2.236 0.000 . 2 . . . . 14 GLU HB2 . 17109 1 69 . 1 1 14 14 GLU HB3 H 1 2.026 0.000 . 2 . . . . 14 GLU HB3 . 17109 1 70 . 1 1 14 14 GLU HG2 H 1 2.286 0.000 . 2 . . . . 14 GLU HG2 . 17109 1 71 . 1 1 14 14 GLU C C 13 16.436 0.000 . 1 . . . . 14 GLU C . 17109 1 72 . 1 1 14 14 GLU CA C 13 55.641 0.000 . 1 . . . . 14 GLU CA . 17109 1 73 . 1 1 14 14 GLU CB C 13 30.989 0.000 . 1 . . . . 14 GLU CB . 17109 1 74 . 1 1 14 14 GLU CG C 13 36.432 0.000 . 1 . . . . 14 GLU CG . 17109 1 75 . 1 1 14 14 GLU N N 15 120.782 0.000 . 1 . . . . 14 GLU N . 17109 1 76 . 1 1 15 15 LYS H H 1 8.978 0.000 . 1 . . . . 15 LYS H . 17109 1 77 . 1 1 15 15 LYS HA H 1 4.100 0.000 . 1 . . . . 15 LYS HA . 17109 1 78 . 1 1 15 15 LYS HB2 H 1 1.815 0.000 . 2 . . . . 15 LYS HB2 . 17109 1 79 . 1 1 15 15 LYS HB3 H 1 1.654 0.000 . 2 . . . . 15 LYS HB3 . 17109 1 80 . 1 1 15 15 LYS HD2 H 1 1.625 0.000 . 2 . . . . 15 LYS HD2 . 17109 1 81 . 1 1 15 15 LYS HD3 H 1 1.575 0.000 . 2 . . . . 15 LYS HD3 . 17109 1 82 . 1 1 15 15 LYS HE2 H 1 2.871 0.000 . 2 . . . . 15 LYS HE2 . 17109 1 83 . 1 1 15 15 LYS HG2 H 1 1.097 0.000 . 2 . . . . 15 LYS HG2 . 17109 1 84 . 1 1 15 15 LYS C C 13 16.970 0.000 . 1 . . . . 15 LYS C . 17109 1 85 . 1 1 15 15 LYS CA C 13 57.098 0.000 . 1 . . . . 15 LYS CA . 17109 1 86 . 1 1 15 15 LYS CB C 13 31.680 0.000 . 1 . . . . 15 LYS CB . 17109 1 87 . 1 1 15 15 LYS CD C 13 29.577 0.000 . 1 . . . . 15 LYS CD . 17109 1 88 . 1 1 15 15 LYS CG C 13 24.834 0.000 . 1 . . . . 15 LYS CG . 17109 1 89 . 1 1 15 15 LYS N N 15 124.913 0.000 . 1 . . . . 15 LYS N . 17109 1 90 . 1 1 16 16 VAL H H 1 8.976 0.000 . 1 . . . . 16 VAL H . 17109 1 91 . 1 1 16 16 VAL HA H 1 4.572 0.000 . 1 . . . . 16 VAL HA . 17109 1 92 . 1 1 16 16 VAL HB H 1 2.030 0.000 . 1 . . . . 16 VAL HB . 17109 1 93 . 1 1 16 16 VAL HG11 H 1 0.754 0.000 . . . . . . 16 VAL QG1 . 17109 1 94 . 1 1 16 16 VAL HG12 H 1 0.754 0.000 . . . . . . 16 VAL QG1 . 17109 1 95 . 1 1 16 16 VAL HG13 H 1 0.754 0.000 . . . . . . 16 VAL QG1 . 17109 1 96 . 1 1 16 16 VAL HG21 H 1 0.544 0.000 . . . . . . 16 VAL QG2 . 17109 1 97 . 1 1 16 16 VAL HG22 H 1 0.544 0.000 . . . . . . 16 VAL QG2 . 17109 1 98 . 1 1 16 16 VAL HG23 H 1 0.544 0.000 . . . . . . 16 VAL QG2 . 17109 1 99 . 1 1 16 16 VAL C C 13 14.148 0.000 . 1 . . . . 16 VAL C . 17109 1 100 . 1 1 16 16 VAL CA C 13 60.141 0.000 . 1 . . . . 16 VAL CA . 17109 1 101 . 1 1 16 16 VAL CB C 13 34.881 0.000 . 1 . . . . 16 VAL CB . 17109 1 102 . 1 1 16 16 VAL CG1 C 13 17.463 0.000 . 2 . . . . 16 VAL CG1 . 17109 1 103 . 1 1 16 16 VAL CG2 C 13 21.019 0.000 . 2 . . . . 16 VAL CG2 . 17109 1 104 . 1 1 16 16 VAL N N 15 119.007 0.000 . 1 . . . . 16 VAL N . 17109 1 105 . 1 1 17 17 ALA H H 1 8.023 0.000 . 1 . . . . 17 ALA H . 17109 1 106 . 1 1 17 17 ALA HA H 1 5.186 0.000 . 1 . . . . 17 ALA HA . 17109 1 107 . 1 1 17 17 ALA HB1 H 1 1.494 0.000 . . . . . . 17 ALA QB . 17109 1 108 . 1 1 17 17 ALA HB2 H 1 1.494 0.000 . . . . . . 17 ALA QB . 17109 1 109 . 1 1 17 17 ALA HB3 H 1 1.494 0.000 . . . . . . 17 ALA QB . 17109 1 110 . 1 1 17 17 ALA C C 13 14.664 0.000 . 1 . . . . 17 ALA C . 17109 1 111 . 1 1 17 17 ALA CA C 13 51.098 0.000 . 1 . . . . 17 ALA CA . 17109 1 112 . 1 1 17 17 ALA CB C 13 22.853 0.000 . 1 . . . . 17 ALA CB . 17109 1 113 . 1 1 17 17 ALA N N 15 121.167 0.000 . 1 . . . . 17 ALA N . 17109 1 114 . 1 1 18 18 MET H H 1 8.150 0.000 . 1 . . . . 18 MET H . 17109 1 115 . 1 1 18 18 MET HA H 1 5.303 0.000 . 1 . . . . 18 MET HA . 17109 1 116 . 1 1 18 18 MET HB2 H 1 1.938 0.000 . 2 . . . . 18 MET HB2 . 17109 1 117 . 1 1 18 18 MET HG2 H 1 2.509 0.000 . 2 . . . . 18 MET HG2 . 17109 1 118 . 1 1 18 18 MET HG3 H 1 2.438 0.000 . 2 . . . . 18 MET HG3 . 17109 1 119 . 1 1 18 18 MET C C 13 14.413 0.000 . 1 . . . . 18 MET C . 17109 1 120 . 1 1 18 18 MET CA C 13 53.607 0.000 . 1 . . . . 18 MET CA . 17109 1 121 . 1 1 18 18 MET CB C 13 35.038 0.000 . 1 . . . . 18 MET CB . 17109 1 122 . 1 1 18 18 MET CG C 13 31.194 0.000 . 1 . . . . 18 MET CG . 17109 1 123 . 1 1 18 18 MET N N 15 116.475 0.000 . 1 . . . . 18 MET N . 17109 1 124 . 1 1 19 19 LEU H H 1 9.377 0.000 . 1 . . . . 19 LEU H . 17109 1 125 . 1 1 19 19 LEU HA H 1 5.268 0.000 . 1 . . . . 19 LEU HA . 17109 1 126 . 1 1 19 19 LEU HB2 H 1 2.045 0.000 . 2 . . . . 19 LEU HB2 . 17109 1 127 . 1 1 19 19 LEU HB3 H 1 1.282 0.000 . 2 . . . . 19 LEU HB3 . 17109 1 128 . 1 1 19 19 LEU HD11 H 1 0.743 0.000 . . . . . . 19 LEU QD1 . 17109 1 129 . 1 1 19 19 LEU HD12 H 1 0.743 0.000 . . . . . . 19 LEU QD1 . 17109 1 130 . 1 1 19 19 LEU HD13 H 1 0.743 0.000 . . . . . . 19 LEU QD1 . 17109 1 131 . 1 1 19 19 LEU HG H 1 1.521 0.000 . 1 . . . . 19 LEU HG . 17109 1 132 . 1 1 19 19 LEU C C 13 13.617 0.000 . 1 . . . . 19 LEU C . 17109 1 133 . 1 1 19 19 LEU CA C 13 52.851 0.000 . 1 . . . . 19 LEU CA . 17109 1 134 . 1 1 19 19 LEU CB C 13 44.705 0.000 . 1 . . . . 19 LEU CB . 17109 1 135 . 1 1 19 19 LEU CD1 C 13 17.575 0.000 . 2 . . . . 19 LEU CD1 . 17109 1 136 . 1 1 19 19 LEU CG C 13 27.247 0.000 . 1 . . . . 19 LEU CG . 17109 1 137 . 1 1 19 19 LEU N N 15 126.244 0.000 . 1 . . . . 19 LEU N . 17109 1 138 . 1 1 20 20 ASN H H 1 10.032 0.000 . 1 . . . . 20 ASN H . 17109 1 139 . 1 1 20 20 ASN HA H 1 5.340 0.000 . 1 . . . . 20 ASN HA . 17109 1 140 . 1 1 20 20 ASN HB2 H 1 2.750 0.000 . 2 . . . . 20 ASN HB2 . 17109 1 141 . 1 1 20 20 ASN HB3 H 1 2.656 0.000 . 2 . . . . 20 ASN HB3 . 17109 1 142 . 1 1 20 20 ASN C C 13 14.316 0.000 . 1 . . . . 20 ASN C . 17109 1 143 . 1 1 20 20 ASN CA C 13 51.344 0.000 . 1 . . . . 20 ASN CA . 17109 1 144 . 1 1 20 20 ASN CB C 13 40.972 0.000 . 1 . . . . 20 ASN CB . 17109 1 145 . 1 1 20 20 ASN N N 15 126.410 0.000 . 1 . . . . 20 ASN N . 17109 1 146 . 1 1 21 21 ILE H H 1 8.603 0.000 . 1 . . . . 21 ILE H . 17109 1 147 . 1 1 21 21 ILE HA H 1 4.829 0.000 . 1 . . . . 21 ILE HA . 17109 1 148 . 1 1 21 21 ILE HB H 1 2.066 0.000 . 1 . . . . 21 ILE HB . 17109 1 149 . 1 1 21 21 ILE HD11 H 1 0.799 0.000 . . . . . . 21 ILE QD1 . 17109 1 150 . 1 1 21 21 ILE HD12 H 1 0.799 0.000 . . . . . . 21 ILE QD1 . 17109 1 151 . 1 1 21 21 ILE HD13 H 1 0.799 0.000 . . . . . . 21 ILE QD1 . 17109 1 152 . 1 1 21 21 ILE HG12 H 1 1.695 0.000 . 2 . . . . 21 ILE HG12 . 17109 1 153 . 1 1 21 21 ILE HG21 H 1 0.988 0.000 . . . . . . 21 ILE QG2 . 17109 1 154 . 1 1 21 21 ILE HG22 H 1 0.988 0.000 . . . . . . 21 ILE QG2 . 17109 1 155 . 1 1 21 21 ILE HG23 H 1 0.988 0.000 . . . . . . 21 ILE QG2 . 17109 1 156 . 1 1 21 21 ILE C C 13 14.409 0.000 . 1 . . . . 21 ILE C . 17109 1 157 . 1 1 21 21 ILE CA C 13 58.243 0.000 . 1 . . . . 21 ILE CA . 17109 1 158 . 1 1 21 21 ILE CB C 13 37.477 0.000 . 1 . . . . 21 ILE CB . 17109 1 159 . 1 1 21 21 ILE CD1 C 13 13.654 0.000 . 1 . . . . 21 ILE CD1 . 17109 1 160 . 1 1 21 21 ILE CG1 C 13 26.182 0.000 . 1 . . . . 21 ILE CG1 . 17109 1 161 . 1 1 21 21 ILE CG2 C 13 19.799 0.000 . 1 . . . . 21 ILE CG2 . 17109 1 162 . 1 1 21 21 ILE N N 15 123.597 0.000 . 1 . . . . 21 ILE N . 17109 1 163 . 1 1 22 22 PRO HA H 1 4.178 0.000 . 1 . . . . 22 PRO HA . 17109 1 164 . 1 1 22 22 PRO HB2 H 1 2.318 0.000 . 2 . . . . 22 PRO HB2 . 17109 1 165 . 1 1 22 22 PRO HB3 H 1 1.961 0.000 . 2 . . . . 22 PRO HB3 . 17109 1 166 . 1 1 22 22 PRO HD2 H 1 4.044 0.000 . 2 . . . . 22 PRO HD2 . 17109 1 167 . 1 1 22 22 PRO HD3 H 1 3.681 0.000 . 2 . . . . 22 PRO HD3 . 17109 1 168 . 1 1 22 22 PRO HG2 H 1 2.033 0.000 . 2 . . . . 22 PRO HG2 . 17109 1 169 . 1 1 22 22 PRO HG3 H 1 1.807 0.000 . 2 . . . . 22 PRO HG3 . 17109 1 170 . 1 1 22 22 PRO CA C 13 65.629 0.000 . 1 . . . . 22 PRO CA . 17109 1 171 . 1 1 22 22 PRO CB C 13 31.806 0.000 . 1 . . . . 22 PRO CB . 17109 1 172 . 1 1 22 22 PRO CD C 13 50.546 0.000 . 1 . . . . 22 PRO CD . 17109 1 173 . 1 1 22 22 PRO CG C 13 26.793 0.000 . 1 . . . . 22 PRO CG . 17109 1 174 . 1 1 23 23 LYS H H 1 9.374 0.000 . 1 . . . . 23 LYS H . 17109 1 175 . 1 1 23 23 LYS HA H 1 3.978 0.000 . 1 . . . . 23 LYS HA . 17109 1 176 . 1 1 23 23 LYS HB2 H 1 1.971 0.000 . 2 . . . . 23 LYS HB2 . 17109 1 177 . 1 1 23 23 LYS HB3 H 1 1.396 0.000 . 2 . . . . 23 LYS HB3 . 17109 1 178 . 1 1 23 23 LYS HD2 H 1 1.664 0.000 . 2 . . . . 23 LYS HD2 . 17109 1 179 . 1 1 23 23 LYS HE2 H 1 2.950 0.000 . 2 . . . . 23 LYS HE2 . 17109 1 180 . 1 1 23 23 LYS HG2 H 1 1.373 0.000 . 2 . . . . 23 LYS HG2 . 17109 1 181 . 1 1 23 23 LYS C C 13 17.231 0.000 . 1 . . . . 23 LYS C . 17109 1 182 . 1 1 23 23 LYS CA C 13 58.643 0.000 . 1 . . . . 23 LYS CA . 17109 1 183 . 1 1 23 23 LYS CB C 13 33.171 0.000 . 1 . . . . 23 LYS CB . 17109 1 184 . 1 1 23 23 LYS CD C 13 29.270 0.000 . 1 . . . . 23 LYS CD . 17109 1 185 . 1 1 23 23 LYS CE C 13 49.998 0.000 . 1 . . . . 23 LYS CE . 17109 1 186 . 1 1 23 23 LYS CG C 13 24.550 0.000 . 1 . . . . 23 LYS CG . 17109 1 187 . 1 1 23 23 LYS N N 15 118.170 0.000 . 1 . . . . 23 LYS N . 17109 1 188 . 1 1 24 24 LEU H H 1 6.919 0.000 . 1 . . . . 24 LEU H . 17109 1 189 . 1 1 24 24 LEU HA H 1 4.319 0.000 . 1 . . . . 24 LEU HA . 17109 1 190 . 1 1 24 24 LEU HB2 H 1 1.677 0.000 . 2 . . . . 24 LEU HB2 . 17109 1 191 . 1 1 24 24 LEU HB3 H 1 1.439 0.000 . 2 . . . . 24 LEU HB3 . 17109 1 192 . 1 1 24 24 LEU HD11 H 1 0.789 0.000 . . . . . . 24 LEU QD1 . 17109 1 193 . 1 1 24 24 LEU HD12 H 1 0.789 0.000 . . . . . . 24 LEU QD1 . 17109 1 194 . 1 1 24 24 LEU HD13 H 1 0.789 0.000 . . . . . . 24 LEU QD1 . 17109 1 195 . 1 1 24 24 LEU HD21 H 1 0.714 0.000 . . . . . . 24 LEU QD2 . 17109 1 196 . 1 1 24 24 LEU HD22 H 1 0.714 0.000 . . . . . . 24 LEU QD2 . 17109 1 197 . 1 1 24 24 LEU HD23 H 1 0.714 0.000 . . . . . . 24 LEU QD2 . 17109 1 198 . 1 1 24 24 LEU HG H 1 1.456 0.000 . 1 . . . . 24 LEU HG . 17109 1 199 . 1 1 24 24 LEU C C 13 15.562 0.000 . 1 . . . . 24 LEU C . 17109 1 200 . 1 1 24 24 LEU CA C 13 52.965 0.000 . 1 . . . . 24 LEU CA . 17109 1 201 . 1 1 24 24 LEU CB C 13 42.473 0.000 . 1 . . . . 24 LEU CB . 17109 1 202 . 1 1 24 24 LEU CD1 C 13 25.197 0.000 . 2 . . . . 24 LEU CD1 . 17109 1 203 . 1 1 24 24 LEU CD2 C 13 21.435 0.000 . 2 . . . . 24 LEU CD2 . 17109 1 204 . 1 1 24 24 LEU CG C 13 27.081 0.000 . 1 . . . . 24 LEU CG . 17109 1 205 . 1 1 24 24 LEU N N 15 111.810 0.000 . 1 . . . . 24 LEU N . 17109 1 206 . 1 1 25 25 LYS H H 1 7.921 0.000 . 1 . . . . 25 LYS H . 17109 1 207 . 1 1 25 25 LYS HA H 1 3.849 0.000 . 1 . . . . 25 LYS HA . 17109 1 208 . 1 1 25 25 LYS HB2 H 1 1.972 0.000 . 2 . . . . 25 LYS HB2 . 17109 1 209 . 1 1 25 25 LYS HB3 H 1 1.816 0.000 . 2 . . . . 25 LYS HB3 . 17109 1 210 . 1 1 25 25 LYS HD2 H 1 1.675 0.000 . 2 . . . . 25 LYS HD2 . 17109 1 211 . 1 1 25 25 LYS HE2 H 1 2.940 0.000 . 2 . . . . 25 LYS HE2 . 17109 1 212 . 1 1 25 25 LYS HG2 H 1 1.333 0.000 . 2 . . . . 25 LYS HG2 . 17109 1 213 . 1 1 25 25 LYS C C 13 15.297 0.000 . 1 . . . . 25 LYS C . 17109 1 214 . 1 1 25 25 LYS CA C 13 56.598 0.000 . 1 . . . . 25 LYS CA . 17109 1 215 . 1 1 25 25 LYS CB C 13 28.918 0.000 . 1 . . . . 25 LYS CB . 17109 1 216 . 1 1 25 25 LYS CD C 13 29.055 0.000 . 1 . . . . 25 LYS CD . 17109 1 217 . 1 1 25 25 LYS CE C 13 41.719 0.000 . 1 . . . . 25 LYS CE . 17109 1 218 . 1 1 25 25 LYS CG C 13 24.761 0.000 . 1 . . . . 25 LYS CG . 17109 1 219 . 1 1 25 25 LYS N N 15 115.814 0.000 . 1 . . . . 25 LYS N . 17109 1 220 . 1 1 26 26 LYS H H 1 6.765 0.000 . 1 . . . . 26 LYS H . 17109 1 221 . 1 1 26 26 LYS HA H 1 4.559 0.000 . 1 . . . . 26 LYS HA . 17109 1 222 . 1 1 26 26 LYS HB2 H 1 1.380 0.000 . 2 . . . . 26 LYS HB2 . 17109 1 223 . 1 1 26 26 LYS HB3 H 1 1.301 0.000 . 2 . . . . 26 LYS HB3 . 17109 1 224 . 1 1 26 26 LYS HD2 H 1 1.487 0.000 . 2 . . . . 26 LYS HD2 . 17109 1 225 . 1 1 26 26 LYS HE2 H 1 2.866 0.000 . 2 . . . . 26 LYS HE2 . 17109 1 226 . 1 1 26 26 LYS HG2 H 1 1.149 0.000 . 2 . . . . 26 LYS HG2 . 17109 1 227 . 1 1 26 26 LYS C C 13 13.961 0.000 . 1 . . . . 26 LYS C . 17109 1 228 . 1 1 26 26 LYS CA C 13 53.788 0.000 . 1 . . . . 26 LYS CA . 17109 1 229 . 1 1 26 26 LYS CB C 13 37.483 0.000 . 1 . . . . 26 LYS CB . 17109 1 230 . 1 1 26 26 LYS CD C 13 28.695 0.000 . 1 . . . . 26 LYS CD . 17109 1 231 . 1 1 26 26 LYS CE C 13 41.527 0.000 . 1 . . . . 26 LYS CE . 17109 1 232 . 1 1 26 26 LYS CG C 13 24.611 0.000 . 1 . . . . 26 LYS CG . 17109 1 233 . 1 1 26 26 LYS N N 15 115.145 0.000 . 1 . . . . 26 LYS N . 17109 1 234 . 1 1 27 27 LYS H H 1 7.857 0.000 . 1 . . . . 27 LYS H . 17109 1 235 . 1 1 27 27 LYS HA H 1 5.452 0.000 . 1 . . . . 27 LYS HA . 17109 1 236 . 1 1 27 27 LYS HB2 H 1 1.628 0.000 . 2 . . . . 27 LYS HB2 . 17109 1 237 . 1 1 27 27 LYS HB3 H 1 1.473 0.000 . 2 . . . . 27 LYS HB3 . 17109 1 238 . 1 1 27 27 LYS HE2 H 1 2.739 0.000 . 2 . . . . 27 LYS HE2 . 17109 1 239 . 1 1 27 27 LYS HG2 H 1 1.198 0.000 . 2 . . . . 27 LYS HG2 . 17109 1 240 . 1 1 27 27 LYS C C 13 15.482 0.000 . 1 . . . . 27 LYS C . 17109 1 241 . 1 1 27 27 LYS CA C 13 53.883 0.000 . 1 . . . . 27 LYS CA . 17109 1 242 . 1 1 27 27 LYS CB C 13 35.855 0.000 . 1 . . . . 27 LYS CB . 17109 1 243 . 1 1 27 27 LYS CE C 13 41.348 0.000 . 1 . . . . 27 LYS CE . 17109 1 244 . 1 1 27 27 LYS CG C 13 24.552 0.000 . 1 . . . . 27 LYS CG . 17109 1 245 . 1 1 27 27 LYS N N 15 119.566 0.000 . 1 . . . . 27 LYS N . 17109 1 246 . 1 1 28 28 PHE H H 1 9.397 0.000 . 1 . . . . 28 PHE H . 17109 1 247 . 1 1 28 28 PHE HA H 1 4.871 0.000 . 1 . . . . 28 PHE HA . 17109 1 248 . 1 1 28 28 PHE HB2 H 1 3.176 0.000 . 2 . . . . 28 PHE HB2 . 17109 1 249 . 1 1 28 28 PHE HB3 H 1 2.700 0.000 . 2 . . . . 28 PHE HB3 . 17109 1 250 . 1 1 28 28 PHE HD1 H 1 7.130 0.000 . 3 . . . . 28 PHE QD . 17109 1 251 . 1 1 28 28 PHE HD2 H 1 7.130 0.000 . 3 . . . . 28 PHE QD . 17109 1 252 . 1 1 28 28 PHE HE1 H 1 7.132 0.000 . 3 . . . . 28 PHE QE . 17109 1 253 . 1 1 28 28 PHE HE2 H 1 7.132 0.000 . 3 . . . . 28 PHE QE . 17109 1 254 . 1 1 28 28 PHE C C 13 15.477 0.000 . 1 . . . . 28 PHE C . 17109 1 255 . 1 1 28 28 PHE CA C 13 56.100 0.000 . 1 . . . . 28 PHE CA . 17109 1 256 . 1 1 28 28 PHE CB C 13 42.734 0.000 . 1 . . . . 28 PHE CB . 17109 1 257 . 1 1 28 28 PHE CD1 C 13 132.113 0.000 . 3 . . . . 28 PHE CD1 . 17109 1 258 . 1 1 28 28 PHE CE1 C 13 131.884 0.000 . 3 . . . . 28 PHE CE1 . 17109 1 259 . 1 1 28 28 PHE N N 15 118.909 0.000 . 1 . . . . 28 PHE N . 17109 1 260 . 1 1 29 29 SER H H 1 9.010 0.000 . 1 . . . . 29 SER H . 17109 1 261 . 1 1 29 29 SER HA H 1 4.848 0.000 . 1 . . . . 29 SER HA . 17109 1 262 . 1 1 29 29 SER HB2 H 1 3.939 0.000 . 2 . . . . 29 SER HB2 . 17109 1 263 . 1 1 29 29 SER HB3 H 1 3.347 0.000 . 2 . . . . 29 SER HB3 . 17109 1 264 . 1 1 29 29 SER C C 13 12.010 0.000 . 1 . . . . 29 SER C . 17109 1 265 . 1 1 29 29 SER CA C 13 59.961 0.000 . 1 . . . . 29 SER CA . 17109 1 266 . 1 1 29 29 SER CB C 13 64.433 0.000 . 1 . . . . 29 SER CB . 17109 1 267 . 1 1 29 29 SER N N 15 121.189 0.000 . 1 . . . . 29 SER N . 17109 1 268 . 1 1 30 30 ILE H H 1 8.079 0.000 . 1 . . . . 30 ILE H . 17109 1 269 . 1 1 30 30 ILE HA H 1 4.942 0.000 . 1 . . . . 30 ILE HA . 17109 1 270 . 1 1 30 30 ILE HB H 1 1.545 0.000 . 1 . . . . 30 ILE HB . 17109 1 271 . 1 1 30 30 ILE HD11 H 1 0.681 0.000 . . . . . . 30 ILE QD1 . 17109 1 272 . 1 1 30 30 ILE HD12 H 1 0.681 0.000 . . . . . . 30 ILE QD1 . 17109 1 273 . 1 1 30 30 ILE HD13 H 1 0.681 0.000 . . . . . . 30 ILE QD1 . 17109 1 274 . 1 1 30 30 ILE HG12 H 1 0.951 0.000 . 2 . . . . 30 ILE HG12 . 17109 1 275 . 1 1 30 30 ILE HG21 H 1 0.759 0.000 . . . . . . 30 ILE QG2 . 17109 1 276 . 1 1 30 30 ILE HG22 H 1 0.759 0.000 . . . . . . 30 ILE QG2 . 17109 1 277 . 1 1 30 30 ILE HG23 H 1 0.759 0.000 . . . . . . 30 ILE QG2 . 17109 1 278 . 1 1 30 30 ILE C C 13 14.874 0.000 . 1 . . . . 30 ILE C . 17109 1 279 . 1 1 30 30 ILE CA C 13 57.775 0.000 . 1 . . . . 30 ILE CA . 17109 1 280 . 1 1 30 30 ILE CB C 13 38.001 0.000 . 1 . . . . 30 ILE CB . 17109 1 281 . 1 1 30 30 ILE CD1 C 13 14.013 0.000 . 1 . . . . 30 ILE CD1 . 17109 1 282 . 1 1 30 30 ILE CG1 C 13 25.832 0.000 . 1 . . . . 30 ILE CG1 . 17109 1 283 . 1 1 30 30 ILE CG2 C 13 19.059 0.000 . 1 . . . . 30 ILE CG2 . 17109 1 284 . 1 1 30 30 ILE N N 15 120.589 0.000 . 1 . . . . 30 ILE N . 17109 1 285 . 1 1 31 31 TYR H H 1 9.197 0.000 . 1 . . . . 31 TYR H . 17109 1 286 . 1 1 31 31 TYR HA H 1 5.299 0.000 . 1 . . . . 31 TYR HA . 17109 1 287 . 1 1 31 31 TYR HB2 H 1 2.745 0.000 . 2 . . . . 31 TYR HB2 . 17109 1 288 . 1 1 31 31 TYR HB3 H 1 2.663 0.000 . 2 . . . . 31 TYR HB3 . 17109 1 289 . 1 1 31 31 TYR HD1 H 1 7.138 0.000 . 3 . . . . 31 TYR QD . 17109 1 290 . 1 1 31 31 TYR HD2 H 1 7.138 0.000 . 3 . . . . 31 TYR QD . 17109 1 291 . 1 1 31 31 TYR HE1 H 1 6.721 0.000 . 3 . . . . 31 TYR QE . 17109 1 292 . 1 1 31 31 TYR HE2 H 1 6.721 0.000 . 3 . . . . 31 TYR QE . 17109 1 293 . 1 1 31 31 TYR C C 13 14.806 0.000 . 1 . . . . 31 TYR C . 17109 1 294 . 1 1 31 31 TYR CA C 13 56.120 0.000 . 1 . . . . 31 TYR CA . 17109 1 295 . 1 1 31 31 TYR CB C 13 41.139 0.000 . 1 . . . . 31 TYR CB . 17109 1 296 . 1 1 31 31 TYR CD1 C 13 132.447 0.000 . 3 . . . . 31 TYR CD1 . 17109 1 297 . 1 1 31 31 TYR CE1 C 13 131.038 0.000 . 3 . . . . 31 TYR CE1 . 17109 1 298 . 1 1 31 31 TYR N N 15 127.458 0.000 . 1 . . . . 31 TYR N . 17109 1 299 . 1 1 32 32 TRP H H 1 9.018 0.000 . 1 . . . . 32 TRP H . 17109 1 300 . 1 1 32 32 TRP HA H 1 4.583 0.000 . 1 . . . . 32 TRP HA . 17109 1 301 . 1 1 32 32 TRP HB2 H 1 3.699 0.000 . 2 . . . . 32 TRP HB2 . 17109 1 302 . 1 1 32 32 TRP HB3 H 1 2.999 0.000 . 2 . . . . 32 TRP HB3 . 17109 1 303 . 1 1 32 32 TRP HD1 H 1 6.586 0.000 . 1 . . . . 32 TRP HD1 . 17109 1 304 . 1 1 32 32 TRP HE1 H 1 10.176 0.000 . 1 . . . . 32 TRP HE1 . 17109 1 305 . 1 1 32 32 TRP HE3 H 1 7.340 0.000 . 1 . . . . 32 TRP HE3 . 17109 1 306 . 1 1 32 32 TRP HH2 H 1 7.112 0.000 . 1 . . . . 32 TRP HH2 . 17109 1 307 . 1 1 32 32 TRP HZ2 H 1 7.514 0.000 . 1 . . . . 32 TRP HZ2 . 17109 1 308 . 1 1 32 32 TRP HZ3 H 1 6.996 0.000 . 1 . . . . 32 TRP HZ3 . 17109 1 309 . 1 1 32 32 TRP C C 13 15.194 0.000 . 1 . . . . 32 TRP C . 17109 1 310 . 1 1 32 32 TRP CA C 13 57.396 0.000 . 1 . . . . 32 TRP CA . 17109 1 311 . 1 1 32 32 TRP CB C 13 29.670 0.000 . 1 . . . . 32 TRP CB . 17109 1 312 . 1 1 32 32 TRP CD1 C 13 123.380 0.000 . 1 . . . . 32 TRP CD1 . 17109 1 313 . 1 1 32 32 TRP CE3 C 13 112.995 0.000 . 1 . . . . 32 TRP CE3 . 17109 1 314 . 1 1 32 32 TRP CH2 C 13 119.217 0.000 . 1 . . . . 32 TRP CH2 . 17109 1 315 . 1 1 32 32 TRP CZ2 C 13 105.280 0.000 . 1 . . . . 32 TRP CZ2 . 17109 1 316 . 1 1 32 32 TRP CZ3 C 13 115.854 0.000 . 1 . . . . 32 TRP CZ3 . 17109 1 317 . 1 1 32 32 TRP N N 15 121.993 0.000 . 1 . . . . 32 TRP N . 17109 1 318 . 1 1 33 33 GLY H H 1 7.771 0.000 . 1 . . . . 33 GLY H . 17109 1 319 . 1 1 33 33 GLY HA2 H 1 4.460 0.000 . 2 . . . . 33 GLY HA2 . 17109 1 320 . 1 1 33 33 GLY HA3 H 1 3.098 0.000 . 2 . . . . 33 GLY HA3 . 17109 1 321 . 1 1 33 33 GLY C C 13 11.936 0.000 . 1 . . . . 33 GLY C . 17109 1 322 . 1 1 33 33 GLY CA C 13 44.532 0.000 . 1 . . . . 33 GLY CA . 17109 1 323 . 1 1 33 33 GLY N N 15 120.470 0.000 . 1 . . . . 33 GLY N . 17109 1 324 . 1 1 34 34 ALA H H 1 7.901 0.000 . 1 . . . . 34 ALA H . 17109 1 325 . 1 1 34 34 ALA HA H 1 4.445 0.000 . 1 . . . . 34 ALA HA . 17109 1 326 . 1 1 34 34 ALA HB1 H 1 0.897 0.000 . . . . . . 34 ALA QB . 17109 1 327 . 1 1 34 34 ALA HB2 H 1 0.897 0.000 . . . . . . 34 ALA QB . 17109 1 328 . 1 1 34 34 ALA HB3 H 1 0.897 0.000 . . . . . . 34 ALA QB . 17109 1 329 . 1 1 34 34 ALA C C 13 16.174 0.000 . 1 . . . . 34 ALA C . 17109 1 330 . 1 1 34 34 ALA CA C 13 49.913 0.000 . 1 . . . . 34 ALA CA . 17109 1 331 . 1 1 34 34 ALA CB C 13 18.955 0.000 . 1 . . . . 34 ALA CB . 17109 1 332 . 1 1 34 34 ALA N N 15 120.239 0.000 . 1 . . . . 34 ALA N . 17109 1 333 . 1 1 35 35 ASP H H 1 7.956 0.000 . 1 . . . . 35 ASP H . 17109 1 334 . 1 1 35 35 ASP HA H 1 4.450 0.000 . 1 . . . . 35 ASP HA . 17109 1 335 . 1 1 35 35 ASP HB2 H 1 2.683 0.000 . 2 . . . . 35 ASP HB2 . 17109 1 336 . 1 1 35 35 ASP HB3 H 1 2.599 0.000 . 2 . . . . 35 ASP HB3 . 17109 1 337 . 1 1 35 35 ASP C C 13 15.990 0.000 . 1 . . . . 35 ASP C . 17109 1 338 . 1 1 35 35 ASP CA C 13 53.030 0.000 . 1 . . . . 35 ASP CA . 17109 1 339 . 1 1 35 35 ASP CB C 13 41.508 0.000 . 1 . . . . 35 ASP CB . 17109 1 340 . 1 1 35 35 ASP N N 15 118.828 0.000 . 1 . . . . 35 ASP N . 17109 1 341 . 1 1 36 36 ASP H H 1 8.536 0.000 . 1 . . . . 36 ASP H . 17109 1 342 . 1 1 36 36 ASP HA H 1 4.342 0.000 . 1 . . . . 36 ASP HA . 17109 1 343 . 1 1 36 36 ASP HB2 H 1 2.647 0.000 . 2 . . . . 36 ASP HB2 . 17109 1 344 . 1 1 36 36 ASP HB3 H 1 2.509 0.000 . 2 . . . . 36 ASP HB3 . 17109 1 345 . 1 1 36 36 ASP C C 13 17.296 0.000 . 1 . . . . 36 ASP C . 17109 1 346 . 1 1 36 36 ASP CA C 13 55.183 0.000 . 1 . . . . 36 ASP CA . 17109 1 347 . 1 1 36 36 ASP CB C 13 39.837 0.000 . 1 . . . . 36 ASP CB . 17109 1 348 . 1 1 36 36 ASP N N 15 120.955 0.000 . 1 . . . . 36 ASP N . 17109 1 349 . 1 1 37 37 ALA H H 1 8.160 0.000 . 1 . . . . 37 ALA H . 17109 1 350 . 1 1 37 37 ALA HA H 1 4.060 0.000 . 1 . . . . 37 ALA HA . 17109 1 351 . 1 1 37 37 ALA HB1 H 1 1.333 0.000 . . . . . . 37 ALA QB . 17109 1 352 . 1 1 37 37 ALA HB2 H 1 1.333 0.000 . . . . . . 37 ALA QB . 17109 1 353 . 1 1 37 37 ALA HB3 H 1 1.333 0.000 . . . . . . 37 ALA QB . 17109 1 354 . 1 1 37 37 ALA C C 13 19.598 0.000 . 1 . . . . 37 ALA C . 17109 1 355 . 1 1 37 37 ALA CA C 13 53.967 0.000 . 1 . . . . 37 ALA CA . 17109 1 356 . 1 1 37 37 ALA CB C 13 18.009 0.000 . 1 . . . . 37 ALA CB . 17109 1 357 . 1 1 37 37 ALA N N 15 119.387 0.000 . 1 . . . . 37 ALA N . 17109 1 358 . 1 1 38 38 THR H H 1 7.617 0.000 . 1 . . . . 38 THR H . 17109 1 359 . 1 1 38 38 THR HA H 1 3.850 0.000 . 1 . . . . 38 THR HA . 17109 1 360 . 1 1 38 38 THR HB H 1 4.413 0.000 . 1 . . . . 38 THR HB . 17109 1 361 . 1 1 38 38 THR HG21 H 1 1.011 0.000 . . . . . . 38 THR QG2 . 17109 1 362 . 1 1 38 38 THR HG22 H 1 1.011 0.000 . . . . . . 38 THR QG2 . 17109 1 363 . 1 1 38 38 THR HG23 H 1 1.011 0.000 . . . . . . 38 THR QG2 . 17109 1 364 . 1 1 38 38 THR N N 15 113.721 0.000 . 1 . . . . 38 THR N . 17109 1 365 . 1 1 42 42 GLY HA2 H 1 3.875 0.000 . 2 . . . . 42 GLY HA2 . 17109 1 366 . 1 1 42 42 GLY HA3 H 1 3.658 0.000 . 2 . . . . 42 GLY HA3 . 17109 1 367 . 1 1 42 42 GLY CA C 13 46.480 0.000 . 1 . . . . 42 GLY CA . 17109 1 368 . 1 1 42 42 GLY N N 15 106.310 0.000 . 1 . . . . 42 GLY N . 17109 1 369 . 1 1 43 43 VAL H H 1 8.262 0.000 . 1 . . . . 43 VAL H . 17109 1 370 . 1 1 43 43 VAL HA H 1 4.481 0.000 . 1 . . . . 43 VAL HA . 17109 1 371 . 1 1 43 43 VAL HB H 1 1.934 0.000 . 1 . . . . 43 VAL HB . 17109 1 372 . 1 1 43 43 VAL HG11 H 1 0.766 0.000 . . . . . . 43 VAL QG1 . 17109 1 373 . 1 1 43 43 VAL HG12 H 1 0.766 0.000 . . . . . . 43 VAL QG1 . 17109 1 374 . 1 1 43 43 VAL HG13 H 1 0.766 0.000 . . . . . . 43 VAL QG1 . 17109 1 375 . 1 1 43 43 VAL HG21 H 1 0.675 0.000 . . . . . . 43 VAL QG2 . 17109 1 376 . 1 1 43 43 VAL HG22 H 1 0.675 0.000 . . . . . . 43 VAL QG2 . 17109 1 377 . 1 1 43 43 VAL HG23 H 1 0.675 0.000 . . . . . . 43 VAL QG2 . 17109 1 378 . 1 1 43 43 VAL C C 13 14.308 0.000 . 1 . . . . 43 VAL C . 17109 1 379 . 1 1 43 43 VAL CA C 13 61.079 0.000 . 1 . . . . 43 VAL CA . 17109 1 380 . 1 1 43 43 VAL CB C 13 32.911 0.000 . 1 . . . . 43 VAL CB . 17109 1 381 . 1 1 43 43 VAL N N 15 121.961 0.000 . 1 . . . . 43 VAL N . 17109 1 382 . 1 1 44 44 GLY H H 1 9.048 0.000 . 1 . . . . 44 GLY H . 17109 1 383 . 1 1 44 44 GLY HA2 H 1 4.270 0.000 . 2 . . . . 44 GLY HA2 . 17109 1 384 . 1 1 44 44 GLY HA3 H 1 3.650 0.000 . 2 . . . . 44 GLY HA3 . 17109 1 385 . 1 1 44 44 GLY C C 13 12.465 0.000 . 1 . . . . 44 GLY C . 17109 1 386 . 1 1 44 44 GLY CA C 13 44.348 0.000 . 1 . . . . 44 GLY CA . 17109 1 387 . 1 1 44 44 GLY N N 15 114.136 0.000 . 1 . . . . 44 GLY N . 17109 1 388 . 1 1 45 45 MET H H 1 8.966 0.000 . 1 . . . . 45 MET H . 17109 1 389 . 1 1 45 45 MET HA H 1 4.742 0.000 . 1 . . . . 45 MET HA . 17109 1 390 . 1 1 45 45 MET HB2 H 1 1.875 0.000 . 2 . . . . 45 MET HB2 . 17109 1 391 . 1 1 45 45 MET HB3 H 1 1.558 0.000 . 2 . . . . 45 MET HB3 . 17109 1 392 . 1 1 45 45 MET HG2 H 1 2.296 0.000 . 2 . . . . 45 MET HG2 . 17109 1 393 . 1 1 45 45 MET C C 13 13.873 0.000 . 1 . . . . 45 MET C . 17109 1 394 . 1 1 45 45 MET CA C 13 54.084 0.000 . 1 . . . . 45 MET CA . 17109 1 395 . 1 1 45 45 MET CB C 13 34.548 0.000 . 1 . . . . 45 MET CB . 17109 1 396 . 1 1 45 45 MET CG C 13 31.147 0.000 . 1 . . . . 45 MET CG . 17109 1 397 . 1 1 45 45 MET N N 15 124.825 0.000 . 1 . . . . 45 MET N . 17109 1 398 . 1 1 46 46 PHE H H 1 8.803 0.000 . 1 . . . . 46 PHE H . 17109 1 399 . 1 1 46 46 PHE HA H 1 3.645 0.000 . 1 . . . . 46 PHE HA . 17109 1 400 . 1 1 46 46 PHE HB2 H 1 2.721 0.000 . 2 . . . . 46 PHE HB2 . 17109 1 401 . 1 1 46 46 PHE HB3 H 1 2.541 0.000 . 2 . . . . 46 PHE HB3 . 17109 1 402 . 1 1 46 46 PHE HD1 H 1 6.756 0.000 . 3 . . . . 46 PHE QD . 17109 1 403 . 1 1 46 46 PHE HD2 H 1 6.756 0.000 . 3 . . . . 46 PHE QD . 17109 1 404 . 1 1 46 46 PHE HE1 H 1 7.138 0.000 . 3 . . . . 46 PHE QE . 17109 1 405 . 1 1 46 46 PHE HE2 H 1 7.138 0.000 . 3 . . . . 46 PHE QE . 17109 1 406 . 1 1 46 46 PHE C C 13 15.023 0.000 . 1 . . . . 46 PHE C . 17109 1 407 . 1 1 46 46 PHE CA C 13 59.286 0.000 . 1 . . . . 46 PHE CA . 17109 1 408 . 1 1 46 46 PHE CB C 13 40.644 0.000 . 1 . . . . 46 PHE CB . 17109 1 409 . 1 1 46 46 PHE CD1 C 13 131.000 0.000 . 3 . . . . 46 PHE CD1 . 17109 1 410 . 1 1 46 46 PHE CE1 C 13 132.709 0.000 . 3 . . . . 46 PHE CE1 . 17109 1 411 . 1 1 46 46 PHE N N 15 127.637 0.000 . 1 . . . . 46 PHE N . 17109 1 412 . 1 1 47 47 VAL H H 1 7.935 0.000 . 1 . . . . 47 VAL H . 17109 1 413 . 1 1 47 47 VAL HA H 1 3.663 0.000 . 1 . . . . 47 VAL HA . 17109 1 414 . 1 1 47 47 VAL HB H 1 1.416 0.000 . 1 . . . . 47 VAL HB . 17109 1 415 . 1 1 47 47 VAL HG11 H 1 0.547 0.000 . . . . . . 47 VAL QG1 . 17109 1 416 . 1 1 47 47 VAL HG12 H 1 0.547 0.000 . . . . . . 47 VAL QG1 . 17109 1 417 . 1 1 47 47 VAL HG13 H 1 0.547 0.000 . . . . . . 47 VAL QG1 . 17109 1 418 . 1 1 47 47 VAL HG21 H 1 -0.676 0.000 . . . . . . 47 VAL QG2 . 17109 1 419 . 1 1 47 47 VAL HG22 H 1 -0.676 0.000 . . . . . . 47 VAL QG2 . 17109 1 420 . 1 1 47 47 VAL HG23 H 1 -0.676 0.000 . . . . . . 47 VAL QG2 . 17109 1 421 . 1 1 47 47 VAL C C 13 14.235 0.000 . 1 . . . . 47 VAL C . 17109 1 422 . 1 1 47 47 VAL CA C 13 61.455 0.000 . 1 . . . . 47 VAL CA . 17109 1 423 . 1 1 47 47 VAL CB C 13 32.002 0.000 . 1 . . . . 47 VAL CB . 17109 1 424 . 1 1 47 47 VAL CG1 C 13 19.948 0.000 . 2 . . . . 47 VAL CG1 . 17109 1 425 . 1 1 47 47 VAL CG2 C 13 17.392 0.000 . 2 . . . . 47 VAL CG2 . 17109 1 426 . 1 1 47 47 VAL N N 15 130.544 0.000 . 1 . . . . 47 VAL N . 17109 1 427 . 1 1 48 48 SER H H 1 7.966 0.000 . 1 . . . . 48 SER H . 17109 1 428 . 1 1 48 48 SER HA H 1 4.626 0.000 . 1 . . . . 48 SER HA . 17109 1 429 . 1 1 48 48 SER HB2 H 1 4.039 0.000 . 2 . . . . 48 SER HB2 . 17109 1 430 . 1 1 48 48 SER HB3 H 1 3.870 0.000 . 2 . . . . 48 SER HB3 . 17109 1 431 . 1 1 48 48 SER C C 13 13.167 0.000 . 1 . . . . 48 SER C . 17109 1 432 . 1 1 48 48 SER CA C 13 57.384 0.000 . 1 . . . . 48 SER CA . 17109 1 433 . 1 1 48 48 SER CB C 13 65.720 0.000 . 1 . . . . 48 SER CB . 17109 1 434 . 1 1 48 48 SER N N 15 120.133 0.000 . 1 . . . . 48 SER N . 17109 1 435 . 1 1 49 49 ASP H H 1 8.687 0.000 . 1 . . . . 49 ASP H . 17109 1 436 . 1 1 49 49 ASP HA H 1 4.603 0.000 . 1 . . . . 49 ASP HA . 17109 1 437 . 1 1 49 49 ASP HB2 H 1 2.738 0.000 . 2 . . . . 49 ASP HB2 . 17109 1 438 . 1 1 49 49 ASP C C 13 14.539 0.000 . 1 . . . . 49 ASP C . 17109 1 439 . 1 1 49 49 ASP CA C 13 55.222 0.000 . 1 . . . . 49 ASP CA . 17109 1 440 . 1 1 49 49 ASP CB C 13 40.206 0.000 . 1 . . . . 49 ASP CB . 17109 1 441 . 1 1 49 49 ASP N N 15 116.474 0.000 . 1 . . . . 49 ASP N . 17109 1 442 . 1 1 50 50 VAL H H 1 7.765 0.000 . 1 . . . . 50 VAL H . 17109 1 443 . 1 1 50 50 VAL HA H 1 4.478 0.000 . 1 . . . . 50 VAL HA . 17109 1 444 . 1 1 50 50 VAL HB H 1 2.312 0.000 . 1 . . . . 50 VAL HB . 17109 1 445 . 1 1 50 50 VAL HG11 H 1 0.884 0.000 . . . . . . 50 VAL QG1 . 17109 1 446 . 1 1 50 50 VAL HG12 H 1 0.884 0.000 . . . . . . 50 VAL QG1 . 17109 1 447 . 1 1 50 50 VAL HG13 H 1 0.884 0.000 . . . . . . 50 VAL QG1 . 17109 1 448 . 1 1 50 50 VAL HG21 H 1 0.684 0.000 . . . . . . 50 VAL QG2 . 17109 1 449 . 1 1 50 50 VAL HG22 H 1 0.684 0.000 . . . . . . 50 VAL QG2 . 17109 1 450 . 1 1 50 50 VAL HG23 H 1 0.684 0.000 . . . . . . 50 VAL QG2 . 17109 1 451 . 1 1 50 50 VAL C C 13 14.487 0.000 . 1 . . . . 50 VAL C . 17109 1 452 . 1 1 50 50 VAL CA C 13 60.840 0.000 . 1 . . . . 50 VAL CA . 17109 1 453 . 1 1 50 50 VAL CB C 13 32.067 0.000 . 1 . . . . 50 VAL CB . 17109 1 454 . 1 1 50 50 VAL CG1 C 13 20.930 0.000 . 2 . . . . 50 VAL CG1 . 17109 1 455 . 1 1 50 50 VAL CG2 C 13 17.961 0.000 . 2 . . . . 50 VAL CG2 . 17109 1 456 . 1 1 50 50 VAL N N 15 109.279 0.000 . 1 . . . . 50 VAL N . 17109 1 457 . 1 1 51 51 THR H H 1 7.095 0.000 . 1 . . . . 51 THR H . 17109 1 458 . 1 1 51 51 THR HA H 1 5.293 0.000 . 1 . . . . 51 THR HA . 17109 1 459 . 1 1 51 51 THR HB H 1 4.975 0.000 . 1 . . . . 51 THR HB . 17109 1 460 . 1 1 51 51 THR HG21 H 1 0.700 0.000 . . . . . . 51 THR QG2 . 17109 1 461 . 1 1 51 51 THR HG22 H 1 0.700 0.000 . . . . . . 51 THR QG2 . 17109 1 462 . 1 1 51 51 THR HG23 H 1 0.700 0.000 . . . . . . 51 THR QG2 . 17109 1 463 . 1 1 51 51 THR C C 13 14.591 0.000 . 1 . . . . 51 THR C . 17109 1 464 . 1 1 51 51 THR CA C 13 58.487 0.000 . 1 . . . . 51 THR CA . 17109 1 465 . 1 1 51 51 THR CB C 13 71.674 0.000 . 1 . . . . 51 THR CB . 17109 1 466 . 1 1 51 51 THR CG2 C 13 22.071 0.000 . 1 . . . . 51 THR CG2 . 17109 1 467 . 1 1 51 51 THR N N 15 110.412 0.000 . 1 . . . . 51 THR N . 17109 1 468 . 1 1 52 52 THR H H 1 8.829 0.000 . 1 . . . . 52 THR H . 17109 1 469 . 1 1 52 52 THR HA H 1 4.988 0.000 . 1 . . . . 52 THR HA . 17109 1 470 . 1 1 52 52 THR HB H 1 4.516 0.000 . 1 . . . . 52 THR HB . 17109 1 471 . 1 1 52 52 THR HG21 H 1 0.995 0.000 . . . . . . 52 THR QG2 . 17109 1 472 . 1 1 52 52 THR HG22 H 1 0.995 0.000 . . . . . . 52 THR QG2 . 17109 1 473 . 1 1 52 52 THR HG23 H 1 0.995 0.000 . . . . . . 52 THR QG2 . 17109 1 474 . 1 1 52 52 THR C C 13 17.060 0.000 . 1 . . . . 52 THR C . 17109 1 475 . 1 1 52 52 THR CA C 13 59.777 0.000 . 1 . . . . 52 THR CA . 17109 1 476 . 1 1 52 52 THR CB C 13 72.911 0.000 . 1 . . . . 52 THR CB . 17109 1 477 . 1 1 52 52 THR CG2 C 13 19.322 0.000 . 1 . . . . 52 THR CG2 . 17109 1 478 . 1 1 52 52 THR N N 15 109.531 0.000 . 1 . . . . 52 THR N . 17109 1 479 . 1 1 53 53 THR H H 1 8.851 0.000 . 1 . . . . 53 THR H . 17109 1 480 . 1 1 53 53 THR HA H 1 4.601 0.000 . 1 . . . . 53 THR HA . 17109 1 481 . 1 1 53 53 THR HB H 1 4.134 0.000 . 1 . . . . 53 THR HB . 17109 1 482 . 1 1 53 53 THR HG21 H 1 1.629 0.000 . . . . . . 53 THR QG2 . 17109 1 483 . 1 1 53 53 THR HG22 H 1 1.629 0.000 . . . . . . 53 THR QG2 . 17109 1 484 . 1 1 53 53 THR HG23 H 1 1.629 0.000 . . . . . . 53 THR QG2 . 17109 1 485 . 1 1 53 53 THR C C 13 16.085 0.000 . 1 . . . . 53 THR C . 17109 1 486 . 1 1 53 53 THR CA C 13 60.920 0.000 . 1 . . . . 53 THR CA . 17109 1 487 . 1 1 53 53 THR CB C 13 67.192 0.000 . 1 . . . . 53 THR CB . 17109 1 488 . 1 1 53 53 THR CG2 C 13 22.332 0.000 . 1 . . . . 53 THR CG2 . 17109 1 489 . 1 1 53 53 THR N N 15 113.821 0.000 . 1 . . . . 53 THR N . 17109 1 490 . 1 1 54 54 PRO HA H 1 4.023 0.000 . 1 . . . . 54 PRO HA . 17109 1 491 . 1 1 54 54 PRO HB2 H 1 1.617 0.000 . 2 . . . . 54 PRO HB2 . 17109 1 492 . 1 1 54 54 PRO HB3 H 1 0.649 0.000 . 2 . . . . 54 PRO HB3 . 17109 1 493 . 1 1 54 54 PRO HD2 H 1 3.245 0.000 . 2 . . . . 54 PRO HD2 . 17109 1 494 . 1 1 54 54 PRO HD3 H 1 2.138 0.000 . 2 . . . . 54 PRO HD3 . 17109 1 495 . 1 1 54 54 PRO HG2 H 1 1.447 0.000 . 2 . . . . 54 PRO HG2 . 17109 1 496 . 1 1 54 54 PRO HG3 H 1 1.262 0.000 . 2 . . . . 54 PRO HG3 . 17109 1 497 . 1 1 54 54 PRO CA C 13 64.658 0.000 . 1 . . . . 54 PRO CA . 17109 1 498 . 1 1 54 54 PRO CB C 13 29.665 0.000 . 1 . . . . 54 PRO CB . 17109 1 499 . 1 1 54 54 PRO CD C 13 48.866 0.000 . 1 . . . . 54 PRO CD . 17109 1 500 . 1 1 54 54 PRO CG C 13 29.113 0.000 . 1 . . . . 54 PRO CG . 17109 1 501 . 1 1 55 55 SER H H 1 6.889 0.000 . 1 . . . . 55 SER H . 17109 1 502 . 1 1 55 55 SER HA H 1 4.481 0.000 . 1 . . . . 55 SER HA . 17109 1 503 . 1 1 55 55 SER HB2 H 1 4.128 0.000 . 2 . . . . 55 SER HB2 . 17109 1 504 . 1 1 55 55 SER HB3 H 1 4.003 0.000 . 2 . . . . 55 SER HB3 . 17109 1 505 . 1 1 55 55 SER C C 13 16.253 0.000 . 1 . . . . 55 SER C . 17109 1 506 . 1 1 55 55 SER CA C 13 58.086 0.000 . 1 . . . . 55 SER CA . 17109 1 507 . 1 1 55 55 SER CB C 13 62.950 0.000 . 1 . . . . 55 SER CB . 17109 1 508 . 1 1 55 55 SER N N 15 105.932 0.000 . 1 . . . . 55 SER N . 17109 1 509 . 1 1 56 56 GLY H H 1 7.728 0.000 . 1 . . . . 56 GLY H . 17109 1 510 . 1 1 56 56 GLY HA2 H 1 4.174 0.000 . 2 . . . . 56 GLY HA2 . 17109 1 511 . 1 1 56 56 GLY HA3 H 1 3.719 0.000 . 2 . . . . 56 GLY HA3 . 17109 1 512 . 1 1 56 56 GLY C C 13 15.832 0.000 . 1 . . . . 56 GLY C . 17109 1 513 . 1 1 56 56 GLY CA C 13 45.213 0.000 . 1 . . . . 56 GLY CA . 17109 1 514 . 1 1 56 56 GLY N N 15 109.653 0.000 . 1 . . . . 56 GLY N . 17109 1 515 . 1 1 57 57 GLY H H 1 7.471 0.000 . 1 . . . . 57 GLY H . 17109 1 516 . 1 1 57 57 GLY HA2 H 1 3.869 0.000 . 2 . . . . 57 GLY HA2 . 17109 1 517 . 1 1 57 57 GLY HA3 H 1 3.663 0.000 . 2 . . . . 57 GLY HA3 . 17109 1 518 . 1 1 57 57 GLY C C 13 12.905 0.000 . 1 . . . . 57 GLY C . 17109 1 519 . 1 1 57 57 GLY CA C 13 46.480 0.000 . 1 . . . . 57 GLY CA . 17109 1 520 . 1 1 57 57 GLY N N 15 105.848 0.000 . 1 . . . . 57 GLY N . 17109 1 521 . 1 1 58 58 GLY H H 1 7.545 0.000 . 1 . . . . 58 GLY H . 17109 1 522 . 1 1 58 58 GLY HA2 H 1 4.372 0.000 . 2 . . . . 58 GLY HA2 . 17109 1 523 . 1 1 58 58 GLY HA3 H 1 3.196 0.000 . 2 . . . . 58 GLY HA3 . 17109 1 524 . 1 1 58 58 GLY C C 13 12.807 0.000 . 1 . . . . 58 GLY C . 17109 1 525 . 1 1 58 58 GLY CA C 13 43.642 0.000 . 1 . . . . 58 GLY CA . 17109 1 526 . 1 1 58 58 GLY N N 15 108.941 0.000 . 1 . . . . 58 GLY N . 17109 1 527 . 1 1 59 59 HIS H H 1 9.517 0.000 . 1 . . . . 59 HIS H . 17109 1 528 . 1 1 59 59 HIS HA H 1 5.162 0.000 . 1 . . . . 59 HIS HA . 17109 1 529 . 1 1 59 59 HIS HB2 H 1 3.578 0.000 . 2 . . . . 59 HIS HB2 . 17109 1 530 . 1 1 59 59 HIS HB3 H 1 2.756 0.000 . 2 . . . . 59 HIS HB3 . 17109 1 531 . 1 1 59 59 HIS HD2 H 1 6.795 0.000 . 1 . . . . 59 HIS HD2 . 17109 1 532 . 1 1 59 59 HIS HE1 H 1 7.923 0.000 . 1 . . . . 59 HIS HE1 . 17109 1 533 . 1 1 59 59 HIS C C 13 14.930 0.000 . 1 . . . . 59 HIS C . 17109 1 534 . 1 1 59 59 HIS CA C 13 52.820 0.000 . 1 . . . . 59 HIS CA . 17109 1 535 . 1 1 59 59 HIS CB C 13 30.250 0.000 . 1 . . . . 59 HIS CB . 17109 1 536 . 1 1 59 59 HIS CD2 C 13 123.220 0.000 . 1 . . . . 59 HIS CD2 . 17109 1 537 . 1 1 59 59 HIS CE1 C 13 142.939 0.000 . 1 . . . . 59 HIS CE1 . 17109 1 538 . 1 1 59 59 HIS N N 15 127.621 0.000 . 1 . . . . 59 HIS N . 17109 1 539 . 1 1 60 60 THR H H 1 9.769 0.000 . 1 . . . . 60 THR H . 17109 1 540 . 1 1 60 60 THR HA H 1 4.870 0.000 . 1 . . . . 60 THR HA . 17109 1 541 . 1 1 60 60 THR HB H 1 3.627 0.000 . 1 . . . . 60 THR HB . 17109 1 542 . 1 1 60 60 THR HG21 H 1 0.916 0.000 . . . . . . 60 THR QG2 . 17109 1 543 . 1 1 60 60 THR HG22 H 1 0.916 0.000 . . . . . . 60 THR QG2 . 17109 1 544 . 1 1 60 60 THR HG23 H 1 0.916 0.000 . . . . . . 60 THR QG2 . 17109 1 545 . 1 1 60 60 THR C C 13 11.847 0.000 . 1 . . . . 60 THR C . 17109 1 546 . 1 1 60 60 THR CA C 13 61.358 0.000 . 1 . . . . 60 THR CA . 17109 1 547 . 1 1 60 60 THR CB C 13 69.821 0.000 . 1 . . . . 60 THR CB . 17109 1 548 . 1 1 60 60 THR CG2 C 13 22.059 0.000 . 1 . . . . 60 THR CG2 . 17109 1 549 . 1 1 60 60 THR N N 15 127.768 0.000 . 1 . . . . 60 THR N . 17109 1 550 . 1 1 61 61 VAL H H 1 8.548 0.000 . 1 . . . . 61 VAL H . 17109 1 551 . 1 1 61 61 VAL HA H 1 4.641 0.000 . 1 . . . . 61 VAL HA . 17109 1 552 . 1 1 61 61 VAL HB H 1 1.335 0.000 . 1 . . . . 61 VAL HB . 17109 1 553 . 1 1 61 61 VAL HG11 H 1 0.275 0.000 . . . . . . 61 VAL QG1 . 17109 1 554 . 1 1 61 61 VAL HG12 H 1 0.275 0.000 . . . . . . 61 VAL QG1 . 17109 1 555 . 1 1 61 61 VAL HG13 H 1 0.275 0.000 . . . . . . 61 VAL QG1 . 17109 1 556 . 1 1 61 61 VAL HG21 H 1 -0.142 0.000 . . . . . . 61 VAL QG2 . 17109 1 557 . 1 1 61 61 VAL HG22 H 1 -0.142 0.000 . . . . . . 61 VAL QG2 . 17109 1 558 . 1 1 61 61 VAL HG23 H 1 -0.142 0.000 . . . . . . 61 VAL QG2 . 17109 1 559 . 1 1 61 61 VAL C C 13 13.794 0.000 . 1 . . . . 61 VAL C . 17109 1 560 . 1 1 61 61 VAL CA C 13 59.808 0.000 . 1 . . . . 61 VAL CA . 17109 1 561 . 1 1 61 61 VAL CB C 13 33.334 0.000 . 1 . . . . 61 VAL CB . 17109 1 562 . 1 1 61 61 VAL CG1 C 13 19.899 0.000 . 2 . . . . 61 VAL CG1 . 17109 1 563 . 1 1 61 61 VAL CG2 C 13 19.550 0.000 . 2 . . . . 61 VAL CG2 . 17109 1 564 . 1 1 61 61 VAL N N 15 126.493 0.000 . 1 . . . . 61 VAL N . 17109 1 565 . 1 1 62 62 LEU H H 1 9.330 0.000 . 1 . . . . 62 LEU H . 17109 1 566 . 1 1 62 62 LEU HA H 1 5.345 0.000 . 1 . . . . 62 LEU HA . 17109 1 567 . 1 1 62 62 LEU HB2 H 1 1.698 0.000 . 2 . . . . 62 LEU HB2 . 17109 1 568 . 1 1 62 62 LEU HB3 H 1 1.010 0.000 . 2 . . . . 62 LEU HB3 . 17109 1 569 . 1 1 62 62 LEU HD11 H 1 0.714 0.000 . . . . . . 62 LEU QD1 . 17109 1 570 . 1 1 62 62 LEU HD12 H 1 0.714 0.000 . . . . . . 62 LEU QD1 . 17109 1 571 . 1 1 62 62 LEU HD13 H 1 0.714 0.000 . . . . . . 62 LEU QD1 . 17109 1 572 . 1 1 62 62 LEU HD21 H 1 0.659 0.000 . . . . . . 62 LEU QD2 . 17109 1 573 . 1 1 62 62 LEU HD22 H 1 0.659 0.000 . . . . . . 62 LEU QD2 . 17109 1 574 . 1 1 62 62 LEU HD23 H 1 0.659 0.000 . . . . . . 62 LEU QD2 . 17109 1 575 . 1 1 62 62 LEU HG H 1 1.514 0.000 . 1 . . . . 62 LEU HG . 17109 1 576 . 1 1 62 62 LEU C C 13 15.554 0.000 . 1 . . . . 62 LEU C . 17109 1 577 . 1 1 62 62 LEU CA C 13 51.143 0.000 . 1 . . . . 62 LEU CA . 17109 1 578 . 1 1 62 62 LEU CB C 13 43.344 0.000 . 1 . . . . 62 LEU CB . 17109 1 579 . 1 1 62 62 LEU CD1 C 13 26.782 0.000 . 2 . . . . 62 LEU CD1 . 17109 1 580 . 1 1 62 62 LEU CD2 C 13 23.675 0.000 . 2 . . . . 62 LEU CD2 . 17109 1 581 . 1 1 62 62 LEU CG C 13 26.577 0.000 . 1 . . . . 62 LEU CG . 17109 1 582 . 1 1 62 62 LEU N N 15 126.162 0.000 . 1 . . . . 62 LEU N . 17109 1 583 . 1 1 63 63 SER H H 1 9.129 0.000 . 1 . . . . 63 SER H . 17109 1 584 . 1 1 63 63 SER HA H 1 5.328 0.000 . 1 . . . . 63 SER HA . 17109 1 585 . 1 1 63 63 SER HB2 H 1 3.648 0.000 . 2 . . . . 63 SER HB2 . 17109 1 586 . 1 1 63 63 SER HB3 H 1 3.349 0.000 . 2 . . . . 63 SER HB3 . 17109 1 587 . 1 1 63 63 SER C C 13 14.576 0.000 . 1 . . . . 63 SER C . 17109 1 588 . 1 1 63 63 SER CA C 13 54.893 0.000 . 1 . . . . 63 SER CA . 17109 1 589 . 1 1 63 63 SER CB C 13 64.901 0.000 . 1 . . . . 63 SER CB . 17109 1 590 . 1 1 63 63 SER N N 15 116.370 0.000 . 1 . . . . 63 SER N . 17109 1 591 . 1 1 64 64 GLY H H 1 8.731 0.000 . 1 . . . . 64 GLY H . 17109 1 592 . 1 1 64 64 GLY HA2 H 1 4.309 0.000 . 2 . . . . 64 GLY HA2 . 17109 1 593 . 1 1 64 64 GLY HA3 H 1 3.394 0.000 . 2 . . . . 64 GLY HA3 . 17109 1 594 . 1 1 64 64 GLY C C 13 13.058 0.000 . 1 . . . . 64 GLY C . 17109 1 595 . 1 1 64 64 GLY CA C 13 45.547 0.000 . 1 . . . . 64 GLY CA . 17109 1 596 . 1 1 64 64 GLY N N 15 111.708 0.000 . 1 . . . . 64 GLY N . 17109 1 597 . 1 1 71 71 THR H H 1 7.256 0.000 . 1 . . . . 71 THR H . 17109 1 598 . 1 1 71 71 THR HA H 1 3.941 0.000 . 1 . . . . 71 THR HA . 17109 1 599 . 1 1 71 71 THR HB H 1 3.340 0.000 . 1 . . . . 71 THR HB . 17109 1 600 . 1 1 71 71 THR CA C 13 57.410 0.000 . 1 . . . . 71 THR CA . 17109 1 601 . 1 1 71 71 THR N N 15 112.406 0.000 . 1 . . . . 71 THR N . 17109 1 602 . 1 1 72 72 ASP H H 1 8.495 0.000 . 1 . . . . 72 ASP H . 17109 1 603 . 1 1 72 72 ASP HA H 1 4.387 0.000 . 1 . . . . 72 ASP HA . 17109 1 604 . 1 1 72 72 ASP HB2 H 1 2.675 0.000 . 2 . . . . 72 ASP HB2 . 17109 1 605 . 1 1 72 72 ASP HB3 H 1 2.513 0.000 . 2 . . . . 72 ASP HB3 . 17109 1 606 . 1 1 72 72 ASP CA C 13 55.504 0.000 . 1 . . . . 72 ASP CA . 17109 1 607 . 1 1 72 72 ASP N N 15 118.436 0.000 . 1 . . . . 72 ASP N . 17109 1 608 . 1 1 73 73 LEU H H 1 7.838 0.000 . 1 . . . . 73 LEU H . 17109 1 609 . 1 1 73 73 LEU HA H 1 3.777 0.000 . 1 . . . . 73 LEU HA . 17109 1 610 . 1 1 73 73 LEU HB2 H 1 1.479 0.000 . 2 . . . . 73 LEU HB2 . 17109 1 611 . 1 1 73 73 LEU HB3 H 1 1.305 0.000 . 2 . . . . 73 LEU HB3 . 17109 1 612 . 1 1 73 73 LEU HD11 H 1 0.538 0.000 . . . . . . 73 LEU QD1 . 17109 1 613 . 1 1 73 73 LEU HD12 H 1 0.538 0.000 . . . . . . 73 LEU QD1 . 17109 1 614 . 1 1 73 73 LEU HD13 H 1 0.538 0.000 . . . . . . 73 LEU QD1 . 17109 1 615 . 1 1 73 73 LEU CA C 13 57.203 0.000 . 1 . . . . 73 LEU CA . 17109 1 616 . 1 1 73 73 LEU N N 15 117.689 0.000 . 1 . . . . 73 LEU N . 17109 1 617 . 1 1 74 74 GLY H H 1 7.882 0.000 . 1 . . . . 74 GLY H . 17109 1 618 . 1 1 74 74 GLY HA2 H 1 4.060 0.000 . 2 . . . . 74 GLY HA2 . 17109 1 619 . 1 1 74 74 GLY HA3 H 1 3.899 0.000 . 2 . . . . 74 GLY HA3 . 17109 1 620 . 1 1 74 74 GLY C C 13 13.703 0.000 . 1 . . . . 74 GLY C . 17109 1 621 . 1 1 74 74 GLY CA C 13 45.507 0.000 . 1 . . . . 74 GLY CA . 17109 1 622 . 1 1 74 74 GLY N N 15 106.141 0.000 . 1 . . . . 74 GLY N . 17109 1 623 . 1 1 75 75 GLN H H 1 7.593 0.000 . 1 . . . . 75 GLN H . 17109 1 624 . 1 1 75 75 GLN HA H 1 4.229 0.000 . 1 . . . . 75 GLN HA . 17109 1 625 . 1 1 75 75 GLN HB2 H 1 2.216 0.000 . 2 . . . . 75 GLN HB2 . 17109 1 626 . 1 1 75 75 GLN HB3 H 1 1.949 0.000 . 2 . . . . 75 GLN HB3 . 17109 1 627 . 1 1 75 75 GLN HG2 H 1 2.388 0.000 . 2 . . . . 75 GLN HG2 . 17109 1 628 . 1 1 75 75 GLN HG3 H 1 2.324 0.000 . 2 . . . . 75 GLN HG3 . 17109 1 629 . 1 1 75 75 GLN C C 13 17.319 0.000 . 1 . . . . 75 GLN C . 17109 1 630 . 1 1 75 75 GLN CA C 13 56.016 0.000 . 1 . . . . 75 GLN CA . 17109 1 631 . 1 1 75 75 GLN CB C 13 29.310 0.000 . 1 . . . . 75 GLN CB . 17109 1 632 . 1 1 75 75 GLN CG C 13 33.660 0.000 . 1 . . . . 75 GLN CG . 17109 1 633 . 1 1 75 75 GLN N N 15 115.943 0.000 . 1 . . . . 75 GLN N . 17109 1 634 . 1 1 76 76 LEU H H 1 7.279 0.000 . 1 . . . . 76 LEU H . 17109 1 635 . 1 1 76 76 LEU HA H 1 4.373 0.000 . 1 . . . . 76 LEU HA . 17109 1 636 . 1 1 76 76 LEU HB2 H 1 2.009 0.000 . 2 . . . . 76 LEU HB2 . 17109 1 637 . 1 1 76 76 LEU HB3 H 1 1.310 0.000 . 2 . . . . 76 LEU HB3 . 17109 1 638 . 1 1 76 76 LEU HD11 H 1 0.931 0.000 . . . . . . 76 LEU QD1 . 17109 1 639 . 1 1 76 76 LEU HD12 H 1 0.931 0.000 . . . . . . 76 LEU QD1 . 17109 1 640 . 1 1 76 76 LEU HD13 H 1 0.931 0.000 . . . . . . 76 LEU QD1 . 17109 1 641 . 1 1 76 76 LEU HD21 H 1 0.799 0.000 . . . . . . 76 LEU QD2 . 17109 1 642 . 1 1 76 76 LEU HD22 H 1 0.799 0.000 . . . . . . 76 LEU QD2 . 17109 1 643 . 1 1 76 76 LEU HD23 H 1 0.799 0.000 . . . . . . 76 LEU QD2 . 17109 1 644 . 1 1 76 76 LEU HG H 1 1.690 0.000 . 1 . . . . 76 LEU HG . 17109 1 645 . 1 1 76 76 LEU C C 13 15.639 0.000 . 1 . . . . 76 LEU C . 17109 1 646 . 1 1 76 76 LEU CA C 13 54.578 0.000 . 1 . . . . 76 LEU CA . 17109 1 647 . 1 1 76 76 LEU CB C 13 41.720 0.000 . 1 . . . . 76 LEU CB . 17109 1 648 . 1 1 76 76 LEU CD1 C 13 26.131 0.000 . 2 . . . . 76 LEU CD1 . 17109 1 649 . 1 1 76 76 LEU CD2 C 13 24.590 0.000 . 2 . . . . 76 LEU CD2 . 17109 1 650 . 1 1 76 76 LEU CG C 13 27.077 0.000 . 1 . . . . 76 LEU CG . 17109 1 651 . 1 1 76 76 LEU N N 15 117.715 0.000 . 1 . . . . 76 LEU N . 17109 1 652 . 1 1 77 77 LYS H H 1 9.508 0.000 . 1 . . . . 77 LYS H . 17109 1 653 . 1 1 77 77 LYS HA H 1 4.545 0.000 . 1 . . . . 77 LYS HA . 17109 1 654 . 1 1 77 77 LYS HB2 H 1 1.844 0.000 . 2 . . . . 77 LYS HB2 . 17109 1 655 . 1 1 77 77 LYS HB3 H 1 1.613 0.000 . 2 . . . . 77 LYS HB3 . 17109 1 656 . 1 1 77 77 LYS HD2 H 1 1.705 0.000 . 2 . . . . 77 LYS HD2 . 17109 1 657 . 1 1 77 77 LYS HE2 H 1 3.001 0.000 . 2 . . . . 77 LYS HE2 . 17109 1 658 . 1 1 77 77 LYS HG2 H 1 1.355 0.000 . 2 . . . . 77 LYS HG2 . 17109 1 659 . 1 1 77 77 LYS C C 13 15.553 0.000 . 1 . . . . 77 LYS C . 17109 1 660 . 1 1 77 77 LYS CA C 13 53.336 0.000 . 1 . . . . 77 LYS CA . 17109 1 661 . 1 1 77 77 LYS CB C 13 36.380 0.000 . 1 . . . . 77 LYS CB . 17109 1 662 . 1 1 77 77 LYS CD C 13 28.317 0.000 . 1 . . . . 77 LYS CD . 17109 1 663 . 1 1 77 77 LYS CE C 13 41.616 0.000 . 1 . . . . 77 LYS CE . 17109 1 664 . 1 1 77 77 LYS CG C 13 24.915 0.000 . 1 . . . . 77 LYS CG . 17109 1 665 . 1 1 77 77 LYS N N 15 122.125 0.000 . 1 . . . . 77 LYS N . 17109 1 666 . 1 1 78 78 GLU H H 1 8.894 0.000 . 1 . . . . 78 GLU H . 17109 1 667 . 1 1 78 78 GLU HA H 1 3.523 0.000 . 1 . . . . 78 GLU HA . 17109 1 668 . 1 1 78 78 GLU HB2 H 1 1.926 0.000 . 2 . . . . 78 GLU HB2 . 17109 1 669 . 1 1 78 78 GLU HG2 H 1 2.241 0.000 . 2 . . . . 78 GLU HG2 . 17109 1 670 . 1 1 78 78 GLU HG3 H 1 2.126 0.000 . 2 . . . . 78 GLU HG3 . 17109 1 671 . 1 1 78 78 GLU C C 13 17.053 0.000 . 1 . . . . 78 GLU C . 17109 1 672 . 1 1 78 78 GLU CA C 13 59.205 0.000 . 1 . . . . 78 GLU CA . 17109 1 673 . 1 1 78 78 GLU CB C 13 28.284 0.000 . 1 . . . . 78 GLU CB . 17109 1 674 . 1 1 78 78 GLU CG C 13 36.480 0.000 . 1 . . . . 78 GLU CG . 17109 1 675 . 1 1 78 78 GLU N N 15 118.769 0.000 . 1 . . . . 78 GLU N . 17109 1 676 . 1 1 79 79 LYS H H 1 8.900 0.000 . 1 . . . . 79 LYS H . 17109 1 677 . 1 1 79 79 LYS HA H 1 3.751 0.000 . 1 . . . . 79 LYS HA . 17109 1 678 . 1 1 79 79 LYS HB2 H 1 2.405 0.000 . 2 . . . . 79 LYS HB2 . 17109 1 679 . 1 1 79 79 LYS HB3 H 1 1.988 0.000 . 2 . . . . 79 LYS HB3 . 17109 1 680 . 1 1 79 79 LYS HD2 H 1 1.671 0.000 . 2 . . . . 79 LYS HD2 . 17109 1 681 . 1 1 79 79 LYS HD3 H 1 1.619 0.000 . 2 . . . . 79 LYS HD3 . 17109 1 682 . 1 1 79 79 LYS HE2 H 1 2.968 0.000 . 2 . . . . 79 LYS HE2 . 17109 1 683 . 1 1 79 79 LYS HG2 H 1 1.407 0.000 . 2 . . . . 79 LYS HG2 . 17109 1 684 . 1 1 79 79 LYS C C 13 16.434 0.000 . 1 . . . . 79 LYS C . 17109 1 685 . 1 1 79 79 LYS CA C 13 59.231 0.000 . 1 . . . . 79 LYS CA . 17109 1 686 . 1 1 79 79 LYS CB C 13 29.657 0.000 . 1 . . . . 79 LYS CB . 17109 1 687 . 1 1 79 79 LYS CD C 13 28.594 0.000 . 1 . . . . 79 LYS CD . 17109 1 688 . 1 1 79 79 LYS CE C 13 41.704 0.000 . 1 . . . . 79 LYS CE . 17109 1 689 . 1 1 79 79 LYS CG C 13 25.505 0.000 . 1 . . . . 79 LYS CG . 17109 1 690 . 1 1 79 79 LYS N N 15 114.676 0.000 . 1 . . . . 79 LYS N . 17109 1 691 . 1 1 80 80 ASP H H 1 8.046 0.000 . 1 . . . . 80 ASP H . 17109 1 692 . 1 1 80 80 ASP HA H 1 4.946 0.000 . 1 . . . . 80 ASP HA . 17109 1 693 . 1 1 80 80 ASP HB2 H 1 3.187 0.000 . 2 . . . . 80 ASP HB2 . 17109 1 694 . 1 1 80 80 ASP HB3 H 1 2.639 0.000 . 2 . . . . 80 ASP HB3 . 17109 1 695 . 1 1 80 80 ASP C C 13 15.886 0.000 . 1 . . . . 80 ASP C . 17109 1 696 . 1 1 80 80 ASP CA C 13 55.661 0.000 . 1 . . . . 80 ASP CA . 17109 1 697 . 1 1 80 80 ASP CB C 13 41.782 0.000 . 1 . . . . 80 ASP CB . 17109 1 698 . 1 1 80 80 ASP N N 15 119.539 0.000 . 1 . . . . 80 ASP N . 17109 1 699 . 1 1 81 81 THR H H 1 8.083 0.000 . 1 . . . . 81 THR H . 17109 1 700 . 1 1 81 81 THR HA H 1 5.321 0.000 . 1 . . . . 81 THR HA . 17109 1 701 . 1 1 81 81 THR HB H 1 4.028 0.000 . 1 . . . . 81 THR HB . 17109 1 702 . 1 1 81 81 THR HG21 H 1 1.208 0.000 . . . . . . 81 THR QG2 . 17109 1 703 . 1 1 81 81 THR HG22 H 1 1.208 0.000 . . . . . . 81 THR QG2 . 17109 1 704 . 1 1 81 81 THR HG23 H 1 1.208 0.000 . . . . . . 81 THR QG2 . 17109 1 705 . 1 1 81 81 THR C C 13 14.221 0.000 . 1 . . . . 81 THR C . 17109 1 706 . 1 1 81 81 THR CA C 13 61.103 0.000 . 1 . . . . 81 THR CA . 17109 1 707 . 1 1 81 81 THR CB C 13 71.264 0.000 . 1 . . . . 81 THR CB . 17109 1 708 . 1 1 81 81 THR CG2 C 13 22.351 0.000 . 1 . . . . 81 THR CG2 . 17109 1 709 . 1 1 81 81 THR N N 15 111.423 0.000 . 1 . . . . 81 THR N . 17109 1 710 . 1 1 82 82 LEU H H 1 8.674 0.000 . 1 . . . . 82 LEU H . 17109 1 711 . 1 1 82 82 LEU HA H 1 4.836 0.000 . 1 . . . . 82 LEU HA . 17109 1 712 . 1 1 82 82 LEU HB2 H 1 1.554 0.000 . 2 . . . . 82 LEU HB2 . 17109 1 713 . 1 1 82 82 LEU HB3 H 1 1.205 0.000 . 2 . . . . 82 LEU HB3 . 17109 1 714 . 1 1 82 82 LEU HD11 H 1 0.916 0.000 . . . . . . 82 LEU QD1 . 17109 1 715 . 1 1 82 82 LEU HD12 H 1 0.916 0.000 . . . . . . 82 LEU QD1 . 17109 1 716 . 1 1 82 82 LEU HD13 H 1 0.916 0.000 . . . . . . 82 LEU QD1 . 17109 1 717 . 1 1 82 82 LEU HG H 1 0.595 0.000 . 1 . . . . 82 LEU HG . 17109 1 718 . 1 1 82 82 LEU C C 13 14.850 0.000 . 1 . . . . 82 LEU C . 17109 1 719 . 1 1 82 82 LEU CA C 13 53.721 0.000 . 1 . . . . 82 LEU CA . 17109 1 720 . 1 1 82 82 LEU CB C 13 45.655 0.000 . 1 . . . . 82 LEU CB . 17109 1 721 . 1 1 82 82 LEU CD1 C 13 24.718 0.000 . 2 . . . . 82 LEU CD1 . 17109 1 722 . 1 1 82 82 LEU CG C 13 25.931 0.000 . 1 . . . . 82 LEU CG . 17109 1 723 . 1 1 82 82 LEU N N 15 120.298 0.000 . 1 . . . . 82 LEU N . 17109 1 724 . 1 1 83 83 VAL H H 1 8.670 0.000 . 1 . . . . 83 VAL H . 17109 1 725 . 1 1 83 83 VAL HA H 1 5.269 0.000 . 1 . . . . 83 VAL HA . 17109 1 726 . 1 1 83 83 VAL HB H 1 2.054 0.000 . 1 . . . . 83 VAL HB . 17109 1 727 . 1 1 83 83 VAL HG11 H 1 0.933 0.000 . . . . . . 83 VAL QG1 . 17109 1 728 . 1 1 83 83 VAL HG12 H 1 0.933 0.000 . . . . . . 83 VAL QG1 . 17109 1 729 . 1 1 83 83 VAL HG13 H 1 0.933 0.000 . . . . . . 83 VAL QG1 . 17109 1 730 . 1 1 83 83 VAL C C 13 14.766 0.000 . 1 . . . . 83 VAL C . 17109 1 731 . 1 1 83 83 VAL CA C 13 61.157 0.000 . 1 . . . . 83 VAL CA . 17109 1 732 . 1 1 83 83 VAL CB C 13 34.923 0.000 . 1 . . . . 83 VAL CB . 17109 1 733 . 1 1 83 83 VAL CG1 C 13 20.998 0.000 . 2 . . . . 83 VAL CG1 . 17109 1 734 . 1 1 83 83 VAL N N 15 121.676 0.000 . 1 . . . . 83 VAL N . 17109 1 735 . 1 1 84 84 LEU H H 1 10.036 0.000 . 1 . . . . 84 LEU H . 17109 1 736 . 1 1 84 84 LEU HA H 1 5.647 0.000 . 1 . . . . 84 LEU HA . 17109 1 737 . 1 1 84 84 LEU HB2 H 1 1.888 0.000 . 2 . . . . 84 LEU HB2 . 17109 1 738 . 1 1 84 84 LEU HB3 H 1 1.704 0.000 . 2 . . . . 84 LEU HB3 . 17109 1 739 . 1 1 84 84 LEU HD11 H 1 0.794 0.000 . . . . . . 84 LEU QD1 . 17109 1 740 . 1 1 84 84 LEU HD12 H 1 0.794 0.000 . . . . . . 84 LEU QD1 . 17109 1 741 . 1 1 84 84 LEU HD13 H 1 0.794 0.000 . . . . . . 84 LEU QD1 . 17109 1 742 . 1 1 84 84 LEU HD21 H 1 0.063 0.000 . . . . . . 84 LEU QD2 . 17109 1 743 . 1 1 84 84 LEU HD22 H 1 0.063 0.000 . . . . . . 84 LEU QD2 . 17109 1 744 . 1 1 84 84 LEU HD23 H 1 0.063 0.000 . . . . . . 84 LEU QD2 . 17109 1 745 . 1 1 84 84 LEU HG H 1 1.663 0.000 . 1 . . . . 84 LEU HG . 17109 1 746 . 1 1 84 84 LEU C C 13 15.644 0.000 . 1 . . . . 84 LEU C . 17109 1 747 . 1 1 84 84 LEU CA C 13 53.160 0.000 . 1 . . . . 84 LEU CA . 17109 1 748 . 1 1 84 84 LEU CB C 13 46.815 0.000 . 1 . . . . 84 LEU CB . 17109 1 749 . 1 1 84 84 LEU CD1 C 13 26.408 0.000 . 2 . . . . 84 LEU CD1 . 17109 1 750 . 1 1 84 84 LEU CD2 C 13 25.507 0.000 . 2 . . . . 84 LEU CD2 . 17109 1 751 . 1 1 84 84 LEU CG C 13 27.972 0.000 . 1 . . . . 84 LEU CG . 17109 1 752 . 1 1 84 84 LEU N N 15 129.813 0.000 . 1 . . . . 84 LEU N . 17109 1 753 . 1 1 85 85 GLU H H 1 9.117 0.000 . 1 . . . . 85 GLU H . 17109 1 754 . 1 1 85 85 GLU HA H 1 5.293 0.000 . 1 . . . . 85 GLU HA . 17109 1 755 . 1 1 85 85 GLU HB2 H 1 2.023 0.000 . 2 . . . . 85 GLU HB2 . 17109 1 756 . 1 1 85 85 GLU HB3 H 1 1.977 0.000 . 2 . . . . 85 GLU HB3 . 17109 1 757 . 1 1 85 85 GLU HG2 H 1 2.155 0.000 . 2 . . . . 85 GLU HG2 . 17109 1 758 . 1 1 85 85 GLU C C 13 15.910 0.000 . 1 . . . . 85 GLU C . 17109 1 759 . 1 1 85 85 GLU CA C 13 54.716 0.000 . 1 . . . . 85 GLU CA . 17109 1 760 . 1 1 85 85 GLU CB C 13 30.904 0.000 . 1 . . . . 85 GLU CB . 17109 1 761 . 1 1 85 85 GLU CG C 13 35.789 0.000 . 1 . . . . 85 GLU CG . 17109 1 762 . 1 1 85 85 GLU N N 15 125.094 0.000 . 1 . . . . 85 GLU N . 17109 1 763 . 1 1 86 86 TYR H H 1 9.053 0.000 . 1 . . . . 86 TYR H . 17109 1 764 . 1 1 86 86 TYR HA H 1 4.825 0.000 . 1 . . . . 86 TYR HA . 17109 1 765 . 1 1 86 86 TYR HB2 H 1 2.958 0.000 . 2 . . . . 86 TYR HB2 . 17109 1 766 . 1 1 86 86 TYR HB3 H 1 2.828 0.000 . 2 . . . . 86 TYR HB3 . 17109 1 767 . 1 1 86 86 TYR HD1 H 1 7.259 0.000 . 3 . . . . 86 TYR QD . 17109 1 768 . 1 1 86 86 TYR HD2 H 1 7.259 0.000 . 3 . . . . 86 TYR QD . 17109 1 769 . 1 1 86 86 TYR HE1 H 1 6.878 0.000 . 3 . . . . 86 TYR QE . 17109 1 770 . 1 1 86 86 TYR HE2 H 1 6.878 0.000 . 3 . . . . 86 TYR QE . 17109 1 771 . 1 1 86 86 TYR C C 13 14.077 0.000 . 1 . . . . 86 TYR C . 17109 1 772 . 1 1 86 86 TYR CA C 13 57.516 0.000 . 1 . . . . 86 TYR CA . 17109 1 773 . 1 1 86 86 TYR CB C 13 41.720 0.000 . 1 . . . . 86 TYR CB . 17109 1 774 . 1 1 86 86 TYR CD1 C 13 136.106 0.000 . 3 . . . . 86 TYR CD1 . 17109 1 775 . 1 1 86 86 TYR CE1 C 13 108.838 0.000 . 3 . . . . 86 TYR CE1 . 17109 1 776 . 1 1 86 86 TYR N N 15 125.117 0.000 . 1 . . . . 86 TYR N . 17109 1 777 . 1 1 87 87 ASP H H 1 9.071 0.000 . 1 . . . . 87 ASP H . 17109 1 778 . 1 1 87 87 ASP HA H 1 3.921 0.000 . 1 . . . . 87 ASP HA . 17109 1 779 . 1 1 87 87 ASP HB2 H 1 2.662 0.000 . 2 . . . . 87 ASP HB2 . 17109 1 780 . 1 1 87 87 ASP HB3 H 1 1.438 0.000 . 2 . . . . 87 ASP HB3 . 17109 1 781 . 1 1 87 87 ASP C C 13 11.773 0.000 . 1 . . . . 87 ASP C . 17109 1 782 . 1 1 87 87 ASP CA C 13 54.613 0.000 . 1 . . . . 87 ASP CA . 17109 1 783 . 1 1 87 87 ASP CB C 13 39.659 0.000 . 1 . . . . 87 ASP CB . 17109 1 784 . 1 1 87 87 ASP N N 15 130.832 0.000 . 1 . . . . 87 ASP N . 17109 1 785 . 1 1 88 88 ASN H H 1 8.623 0.000 . 1 . . . . 88 ASN H . 17109 1 786 . 1 1 88 88 ASN HA H 1 4.193 0.000 . 1 . . . . 88 ASN HA . 17109 1 787 . 1 1 88 88 ASN HB2 H 1 2.953 0.000 . 2 . . . . 88 ASN HB2 . 17109 1 788 . 1 1 88 88 ASN HB3 H 1 2.915 0.000 . 2 . . . . 88 ASN HB3 . 17109 1 789 . 1 1 88 88 ASN C C 13 13.995 0.000 . 1 . . . . 88 ASN C . 17109 1 790 . 1 1 88 88 ASN CA C 13 54.528 0.000 . 1 . . . . 88 ASN CA . 17109 1 791 . 1 1 88 88 ASN CB C 13 37.383 0.000 . 1 . . . . 88 ASN CB . 17109 1 792 . 1 1 88 88 ASN N N 15 109.843 0.000 . 1 . . . . 88 ASN N . 17109 1 793 . 1 1 89 89 LYS H H 1 7.921 0.000 . 1 . . . . 89 LYS H . 17109 1 794 . 1 1 89 89 LYS HA H 1 4.743 0.000 . 1 . . . . 89 LYS HA . 17109 1 795 . 1 1 89 89 LYS HB2 H 1 1.783 0.000 . 2 . . . . 89 LYS HB2 . 17109 1 796 . 1 1 89 89 LYS HB3 H 1 1.243 0.000 . 2 . . . . 89 LYS HB3 . 17109 1 797 . 1 1 89 89 LYS HD2 H 1 1.549 0.000 . 2 . . . . 89 LYS HD2 . 17109 1 798 . 1 1 89 89 LYS HD3 H 1 1.458 0.000 . 2 . . . . 89 LYS HD3 . 17109 1 799 . 1 1 89 89 LYS HE2 H 1 2.827 0.000 . 2 . . . . 89 LYS HE2 . 17109 1 800 . 1 1 89 89 LYS HG2 H 1 1.372 0.000 . 2 . . . . 89 LYS HG2 . 17109 1 801 . 1 1 89 89 LYS HG3 H 1 1.124 0.000 . 2 . . . . 89 LYS HG3 . 17109 1 802 . 1 1 89 89 LYS C C 13 14.644 0.000 . 1 . . . . 89 LYS C . 17109 1 803 . 1 1 89 89 LYS CA C 13 55.133 0.000 . 1 . . . . 89 LYS CA . 17109 1 804 . 1 1 89 89 LYS CB C 13 36.460 0.000 . 1 . . . . 89 LYS CB . 17109 1 805 . 1 1 89 89 LYS CD C 13 28.711 0.000 . 1 . . . . 89 LYS CD . 17109 1 806 . 1 1 89 89 LYS CE C 13 41.513 0.000 . 1 . . . . 89 LYS CE . 17109 1 807 . 1 1 89 89 LYS CG C 13 25.254 0.000 . 1 . . . . 89 LYS CG . 17109 1 808 . 1 1 89 89 LYS N N 15 119.021 0.000 . 1 . . . . 89 LYS N . 17109 1 809 . 1 1 90 90 THR H H 1 8.464 0.000 . 1 . . . . 90 THR H . 17109 1 810 . 1 1 90 90 THR HA H 1 4.819 0.000 . 1 . . . . 90 THR HA . 17109 1 811 . 1 1 90 90 THR HB H 1 3.297 0.000 . 1 . . . . 90 THR HB . 17109 1 812 . 1 1 90 90 THR HG21 H 1 0.954 0.000 . . . . . . 90 THR QG2 . 17109 1 813 . 1 1 90 90 THR HG22 H 1 0.954 0.000 . . . . . . 90 THR QG2 . 17109 1 814 . 1 1 90 90 THR HG23 H 1 0.954 0.000 . . . . . . 90 THR QG2 . 17109 1 815 . 1 1 90 90 THR C C 13 12.823 0.000 . 1 . . . . 90 THR C . 17109 1 816 . 1 1 90 90 THR CA C 13 61.745 0.000 . 1 . . . . 90 THR CA . 17109 1 817 . 1 1 90 90 THR CB C 13 69.709 0.000 . 1 . . . . 90 THR CB . 17109 1 818 . 1 1 90 90 THR CG2 C 13 22.062 0.000 . 1 . . . . 90 THR CG2 . 17109 1 819 . 1 1 90 90 THR N N 15 117.141 0.000 . 1 . . . . 90 THR N . 17109 1 820 . 1 1 91 91 TYR H H 1 9.564 0.000 . 1 . . . . 91 TYR H . 17109 1 821 . 1 1 91 91 TYR HA H 1 4.620 0.000 . 1 . . . . 91 TYR HA . 17109 1 822 . 1 1 91 91 TYR HB2 H 1 3.115 0.000 . 2 . . . . 91 TYR HB2 . 17109 1 823 . 1 1 91 91 TYR HB3 H 1 2.734 0.000 . 2 . . . . 91 TYR HB3 . 17109 1 824 . 1 1 91 91 TYR HD1 H 1 7.132 0.000 . 3 . . . . 91 TYR QD . 17109 1 825 . 1 1 91 91 TYR HD2 H 1 7.132 0.000 . 3 . . . . 91 TYR QD . 17109 1 826 . 1 1 91 91 TYR HE1 H 1 6.869 0.000 . 3 . . . . 91 TYR QE . 17109 1 827 . 1 1 91 91 TYR HE2 H 1 6.869 0.000 . 3 . . . . 91 TYR QE . 17109 1 828 . 1 1 91 91 TYR C C 13 14.313 0.000 . 1 . . . . 91 TYR C . 17109 1 829 . 1 1 91 91 TYR CA C 13 56.764 0.000 . 1 . . . . 91 TYR CA . 17109 1 830 . 1 1 91 91 TYR CB C 13 41.054 0.000 . 1 . . . . 91 TYR CB . 17109 1 831 . 1 1 91 91 TYR CD1 C 13 129.785 0.000 . 3 . . . . 91 TYR CD1 . 17109 1 832 . 1 1 91 91 TYR CE1 C 13 124.353 0.000 . 3 . . . . 91 TYR CE1 . 17109 1 833 . 1 1 91 91 TYR N N 15 127.333 0.000 . 1 . . . . 91 TYR N . 17109 1 834 . 1 1 92 92 THR H H 1 8.705 0.000 . 1 . . . . 92 THR H . 17109 1 835 . 1 1 92 92 THR HA H 1 4.941 0.000 . 1 . . . . 92 THR HA . 17109 1 836 . 1 1 92 92 THR HB H 1 3.932 0.000 . 1 . . . . 92 THR HB . 17109 1 837 . 1 1 92 92 THR HG21 H 1 1.116 0.000 . . . . . . 92 THR QG2 . 17109 1 838 . 1 1 92 92 THR HG22 H 1 1.116 0.000 . . . . . . 92 THR QG2 . 17109 1 839 . 1 1 92 92 THR HG23 H 1 1.116 0.000 . . . . . . 92 THR QG2 . 17109 1 840 . 1 1 92 92 THR C C 13 12.464 0.000 . 1 . . . . 92 THR C . 17109 1 841 . 1 1 92 92 THR CA C 13 61.320 0.000 . 1 . . . . 92 THR CA . 17109 1 842 . 1 1 92 92 THR CB C 13 69.546 0.000 . 1 . . . . 92 THR CB . 17109 1 843 . 1 1 92 92 THR CG2 C 13 21.159 0.000 . 1 . . . . 92 THR CG2 . 17109 1 844 . 1 1 92 92 THR N N 15 117.512 0.000 . 1 . . . . 92 THR N . 17109 1 845 . 1 1 93 93 TYR H H 1 9.381 0.000 . 1 . . . . 93 TYR H . 17109 1 846 . 1 1 93 93 TYR HA H 1 5.431 0.000 . 1 . . . . 93 TYR HA . 17109 1 847 . 1 1 93 93 TYR HB2 H 1 2.617 0.000 . 2 . . . . 93 TYR HB2 . 17109 1 848 . 1 1 93 93 TYR HB3 H 1 2.569 0.000 . 2 . . . . 93 TYR HB3 . 17109 1 849 . 1 1 93 93 TYR HD1 H 1 6.722 0.000 . 3 . . . . 93 TYR QD . 17109 1 850 . 1 1 93 93 TYR HD2 H 1 6.722 0.000 . 3 . . . . 93 TYR QD . 17109 1 851 . 1 1 93 93 TYR HE1 H 1 6.482 0.000 . 3 . . . . 93 TYR QE . 17109 1 852 . 1 1 93 93 TYR HE2 H 1 6.482 0.000 . 3 . . . . 93 TYR QE . 17109 1 853 . 1 1 93 93 TYR C C 13 14.846 0.000 . 1 . . . . 93 TYR C . 17109 1 854 . 1 1 93 93 TYR CA C 13 55.804 0.000 . 1 . . . . 93 TYR CA . 17109 1 855 . 1 1 93 93 TYR CB C 13 42.627 0.000 . 1 . . . . 93 TYR CB . 17109 1 856 . 1 1 93 93 TYR CD1 C 13 134.739 0.000 . 3 . . . . 93 TYR CD1 . 17109 1 857 . 1 1 93 93 TYR CE1 C 13 135.823 0.000 . 3 . . . . 93 TYR CE1 . 17109 1 858 . 1 1 93 93 TYR N N 15 122.729 0.000 . 1 . . . . 93 TYR N . 17109 1 859 . 1 1 94 94 GLU H H 1 9.114 0.000 . 1 . . . . 94 GLU H . 17109 1 860 . 1 1 94 94 GLU HA H 1 4.901 0.000 . 1 . . . . 94 GLU HA . 17109 1 861 . 1 1 94 94 GLU HB2 H 1 1.922 0.000 . 2 . . . . 94 GLU HB2 . 17109 1 862 . 1 1 94 94 GLU HB3 H 1 1.838 0.000 . 2 . . . . 94 GLU HB3 . 17109 1 863 . 1 1 94 94 GLU HG2 H 1 2.077 0.000 . 2 . . . . 94 GLU HG2 . 17109 1 864 . 1 1 94 94 GLU HG3 H 1 1.924 0.000 . 2 . . . . 94 GLU HG3 . 17109 1 865 . 1 1 94 94 GLU C C 13 17.060 0.000 . 1 . . . . 94 GLU C . 17109 1 866 . 1 1 94 94 GLU CA C 13 54.073 0.000 . 1 . . . . 94 GLU CA . 17109 1 867 . 1 1 94 94 GLU CB C 13 33.787 0.000 . 1 . . . . 94 GLU CB . 17109 1 868 . 1 1 94 94 GLU CG C 13 37.124 0.000 . 1 . . . . 94 GLU CG . 17109 1 869 . 1 1 94 94 GLU N N 15 121.240 0.000 . 1 . . . . 94 GLU N . 17109 1 870 . 1 1 95 95 ILE H H 1 9.293 0.000 . 1 . . . . 95 ILE H . 17109 1 871 . 1 1 95 95 ILE HA H 1 3.737 0.000 . 1 . . . . 95 ILE HA . 17109 1 872 . 1 1 95 95 ILE HB H 1 1.978 0.000 . 1 . . . . 95 ILE HB . 17109 1 873 . 1 1 95 95 ILE HD11 H 1 0.767 0.000 . . . . . . 95 ILE QD1 . 17109 1 874 . 1 1 95 95 ILE HD12 H 1 0.767 0.000 . . . . . . 95 ILE QD1 . 17109 1 875 . 1 1 95 95 ILE HD13 H 1 0.767 0.000 . . . . . . 95 ILE QD1 . 17109 1 876 . 1 1 95 95 ILE HG12 H 1 1.209 0.000 . 2 . . . . 95 ILE HG12 . 17109 1 877 . 1 1 95 95 ILE HG21 H 1 0.795 0.000 . . . . . . 95 ILE QG2 . 17109 1 878 . 1 1 95 95 ILE HG22 H 1 0.795 0.000 . . . . . . 95 ILE QG2 . 17109 1 879 . 1 1 95 95 ILE HG23 H 1 0.795 0.000 . . . . . . 95 ILE QG2 . 17109 1 880 . 1 1 95 95 ILE C C 13 16.261 0.000 . 1 . . . . 95 ILE C . 17109 1 881 . 1 1 95 95 ILE CA C 13 64.664 0.000 . 1 . . . . 95 ILE CA . 17109 1 882 . 1 1 95 95 ILE CB C 13 37.472 0.000 . 1 . . . . 95 ILE CB . 17109 1 883 . 1 1 95 95 ILE CD1 C 13 14.249 0.000 . 1 . . . . 95 ILE CD1 . 17109 1 884 . 1 1 95 95 ILE CG1 C 13 24.334 0.000 . 1 . . . . 95 ILE CG1 . 17109 1 885 . 1 1 95 95 ILE CG2 C 13 17.549 0.000 . 1 . . . . 95 ILE CG2 . 17109 1 886 . 1 1 95 95 ILE N N 15 128.345 0.000 . 1 . . . . 95 ILE N . 17109 1 887 . 1 1 96 96 GLN H H 1 10.101 0.000 . 1 . . . . 96 GLN H . 17109 1 888 . 1 1 96 96 GLN HA H 1 4.831 0.000 . 1 . . . . 96 GLN HA . 17109 1 889 . 1 1 96 96 GLN HB2 H 1 2.153 0.000 . 2 . . . . 96 GLN HB2 . 17109 1 890 . 1 1 96 96 GLN HB3 H 1 2.042 0.000 . 2 . . . . 96 GLN HB3 . 17109 1 891 . 1 1 96 96 GLN HG2 H 1 2.342 0.000 . 2 . . . . 96 GLN HG2 . 17109 1 892 . 1 1 96 96 GLN C C 13 14.674 0.000 . 1 . . . . 96 GLN C . 17109 1 893 . 1 1 96 96 GLN CA C 13 54.632 0.000 . 1 . . . . 96 GLN CA . 17109 1 894 . 1 1 96 96 GLN CB C 13 31.165 0.000 . 1 . . . . 96 GLN CB . 17109 1 895 . 1 1 96 96 GLN CG C 13 32.347 0.000 . 1 . . . . 96 GLN CG . 17109 1 896 . 1 1 96 96 GLN N N 15 127.034 0.000 . 1 . . . . 96 GLN N . 17109 1 897 . 1 1 97 97 LYS H H 1 7.958 0.000 . 1 . . . . 97 LYS H . 17109 1 898 . 1 1 97 97 LYS HA H 1 4.658 0.000 . 1 . . . . 97 LYS HA . 17109 1 899 . 1 1 97 97 LYS HB2 H 1 1.739 0.000 . 2 . . . . 97 LYS HB2 . 17109 1 900 . 1 1 97 97 LYS HE2 H 1 2.877 0.000 . 2 . . . . 97 LYS HE2 . 17109 1 901 . 1 1 97 97 LYS HG2 H 1 1.334 0.000 . 2 . . . . 97 LYS HG2 . 17109 1 902 . 1 1 97 97 LYS C C 13 13.200 0.000 . 1 . . . . 97 LYS C . 17109 1 903 . 1 1 97 97 LYS CA C 13 56.528 0.000 . 1 . . . . 97 LYS CA . 17109 1 904 . 1 1 97 97 LYS CB C 13 36.462 0.000 . 1 . . . . 97 LYS CB . 17109 1 905 . 1 1 97 97 LYS CG C 13 25.019 0.000 . 1 . . . . 97 LYS CG . 17109 1 906 . 1 1 97 97 LYS N N 15 120.642 0.000 . 1 . . . . 97 LYS N . 17109 1 907 . 1 1 98 98 ILE H H 1 8.458 0.000 . 1 . . . . 98 ILE H . 17109 1 908 . 1 1 98 98 ILE HA H 1 5.221 0.000 . 1 . . . . 98 ILE HA . 17109 1 909 . 1 1 98 98 ILE HB H 1 1.459 0.000 . 1 . . . . 98 ILE HB . 17109 1 910 . 1 1 98 98 ILE HD11 H 1 0.936 0.000 . . . . . . 98 ILE QD1 . 17109 1 911 . 1 1 98 98 ILE HD12 H 1 0.936 0.000 . . . . . . 98 ILE QD1 . 17109 1 912 . 1 1 98 98 ILE HD13 H 1 0.936 0.000 . . . . . . 98 ILE QD1 . 17109 1 913 . 1 1 98 98 ILE HG12 H 1 1.347 0.000 . 2 . . . . 98 ILE HG12 . 17109 1 914 . 1 1 98 98 ILE HG21 H 1 0.506 0.000 . . . . . . 98 ILE QG2 . 17109 1 915 . 1 1 98 98 ILE HG22 H 1 0.506 0.000 . . . . . . 98 ILE QG2 . 17109 1 916 . 1 1 98 98 ILE HG23 H 1 0.506 0.000 . . . . . . 98 ILE QG2 . 17109 1 917 . 1 1 98 98 ILE C C 13 15.821 0.000 . 1 . . . . 98 ILE C . 17109 1 918 . 1 1 98 98 ILE CA C 13 60.078 0.000 . 1 . . . . 98 ILE CA . 17109 1 919 . 1 1 98 98 ILE CB C 13 42.082 0.000 . 1 . . . . 98 ILE CB . 17109 1 920 . 1 1 98 98 ILE CD1 C 13 21.413 0.000 . 1 . . . . 98 ILE CD1 . 17109 1 921 . 1 1 98 98 ILE CG1 C 13 27.991 0.000 . 1 . . . . 98 ILE CG1 . 17109 1 922 . 1 1 98 98 ILE CG2 C 13 16.427 0.000 . 1 . . . . 98 ILE CG2 . 17109 1 923 . 1 1 98 98 ILE N N 15 124.929 0.000 . 1 . . . . 98 ILE N . 17109 1 924 . 1 1 99 99 TRP H H 1 9.284 0.000 . 1 . . . . 99 TRP H . 17109 1 925 . 1 1 99 99 TRP HA H 1 4.661 0.000 . 1 . . . . 99 TRP HA . 17109 1 926 . 1 1 99 99 TRP HB2 H 1 3.146 0.000 . 2 . . . . 99 TRP HB2 . 17109 1 927 . 1 1 99 99 TRP HB3 H 1 3.088 0.000 . 2 . . . . 99 TRP HB3 . 17109 1 928 . 1 1 99 99 TRP HD1 H 1 6.674 0.000 . 1 . . . . 99 TRP HD1 . 17109 1 929 . 1 1 99 99 TRP HE1 H 1 10.164 0.000 . 1 . . . . 99 TRP HE1 . 17109 1 930 . 1 1 99 99 TRP HE3 H 1 6.999 0.000 . 1 . . . . 99 TRP HE3 . 17109 1 931 . 1 1 99 99 TRP HZ3 H 1 6.727 0.000 . 1 . . . . 99 TRP HZ3 . 17109 1 932 . 1 1 99 99 TRP C C 13 10.353 0.000 . 1 . . . . 99 TRP C . 17109 1 933 . 1 1 99 99 TRP CA C 13 56.388 0.000 . 1 . . . . 99 TRP CA . 17109 1 934 . 1 1 99 99 TRP CB C 13 31.158 0.000 . 1 . . . . 99 TRP CB . 17109 1 935 . 1 1 99 99 TRP CD1 C 13 125.125 0.000 . 1 . . . . 99 TRP CD1 . 17109 1 936 . 1 1 99 99 TRP N N 15 129.003 0.000 . 1 . . . . 99 TRP N . 17109 1 937 . 1 1 99 99 TRP NE1 N 15 129.308 0.000 . 1 . . . . 99 TRP NE1 . 17109 1 938 . 1 1 100 100 ILE H H 1 7.778 0.000 . 1 . . . . 100 ILE H . 17109 1 939 . 1 1 100 100 ILE HA H 1 4.616 0.000 . 1 . . . . 100 ILE HA . 17109 1 940 . 1 1 100 100 ILE HB H 1 1.238 0.000 . 1 . . . . 100 ILE HB . 17109 1 941 . 1 1 100 100 ILE HD11 H 1 0.350 0.000 . . . . . . 100 ILE QD1 . 17109 1 942 . 1 1 100 100 ILE HD12 H 1 0.350 0.000 . . . . . . 100 ILE QD1 . 17109 1 943 . 1 1 100 100 ILE HD13 H 1 0.350 0.000 . . . . . . 100 ILE QD1 . 17109 1 944 . 1 1 100 100 ILE HG12 H 1 1.042 0.000 . 2 . . . . 100 ILE HG12 . 17109 1 945 . 1 1 100 100 ILE HG13 H 1 0.117 0.000 . 2 . . . . 100 ILE HG13 . 17109 1 946 . 1 1 100 100 ILE HG21 H 1 0.542 0.000 . . . . . . 100 ILE QG2 . 17109 1 947 . 1 1 100 100 ILE HG22 H 1 0.542 0.000 . . . . . . 100 ILE QG2 . 17109 1 948 . 1 1 100 100 ILE HG23 H 1 0.542 0.000 . . . . . . 100 ILE QG2 . 17109 1 949 . 1 1 100 100 ILE C C 13 16.258 0.000 . 1 . . . . 100 ILE C . 17109 1 950 . 1 1 100 100 ILE CA C 13 58.973 0.000 . 1 . . . . 100 ILE CA . 17109 1 951 . 1 1 100 100 ILE CB C 13 40.734 0.000 . 1 . . . . 100 ILE CB . 17109 1 952 . 1 1 100 100 ILE CD1 C 13 13.717 0.000 . 1 . . . . 100 ILE CD1 . 17109 1 953 . 1 1 100 100 ILE CG1 C 13 28.706 0.000 . 1 . . . . 100 ILE CG1 . 17109 1 954 . 1 1 100 100 ILE CG2 C 13 17.990 0.000 . 1 . . . . 100 ILE CG2 . 17109 1 955 . 1 1 100 100 ILE N N 15 117.553 0.000 . 1 . . . . 100 ILE N . 17109 1 956 . 1 1 101 101 THR H H 1 8.587 0.000 . 1 . . . . 101 THR H . 17109 1 957 . 1 1 101 101 THR HA H 1 4.755 0.000 . 1 . . . . 101 THR HA . 17109 1 958 . 1 1 101 101 THR HB H 1 3.893 0.000 . 1 . . . . 101 THR HB . 17109 1 959 . 1 1 101 101 THR HG21 H 1 0.893 0.000 . . . . . . 101 THR QG2 . 17109 1 960 . 1 1 101 101 THR HG22 H 1 0.893 0.000 . . . . . . 101 THR QG2 . 17109 1 961 . 1 1 101 101 THR HG23 H 1 0.893 0.000 . . . . . . 101 THR QG2 . 17109 1 962 . 1 1 101 101 THR C C 13 12.069 0.000 . 1 . . . . 101 THR C . 17109 1 963 . 1 1 101 101 THR CA C 13 57.557 0.000 . 1 . . . . 101 THR CA . 17109 1 964 . 1 1 101 101 THR CB C 13 70.656 0.000 . 1 . . . . 101 THR CB . 17109 1 965 . 1 1 101 101 THR CG2 C 13 17.868 0.000 . 1 . . . . 101 THR CG2 . 17109 1 966 . 1 1 101 101 THR N N 15 120.519 0.000 . 1 . . . . 101 THR N . 17109 1 967 . 1 1 102 102 HIS H H 1 8.218 0.000 . 1 . . . . 102 HIS H . 17109 1 968 . 1 1 102 102 HIS HA H 1 5.402 0.000 . 1 . . . . 102 HIS HA . 17109 1 969 . 1 1 102 102 HIS HB2 H 1 3.277 0.000 . 2 . . . . 102 HIS HB2 . 17109 1 970 . 1 1 102 102 HIS HB3 H 1 3.236 0.000 . 2 . . . . 102 HIS HB3 . 17109 1 971 . 1 1 102 102 HIS C C 13 16.781 0.000 . 1 . . . . 102 HIS C . 17109 1 972 . 1 1 102 102 HIS CA C 13 54.593 0.000 . 1 . . . . 102 HIS CA . 17109 1 973 . 1 1 102 102 HIS CB C 13 31.240 0.000 . 1 . . . . 102 HIS CB . 17109 1 974 . 1 1 102 102 HIS N N 15 119.885 0.000 . 1 . . . . 102 HIS N . 17109 1 975 . 1 1 103 103 ALA H H 1 8.423 0.000 . 1 . . . . 103 ALA H . 17109 1 976 . 1 1 103 103 ALA HA H 1 3.710 0.000 . 1 . . . . 103 ALA HA . 17109 1 977 . 1 1 103 103 ALA HB1 H 1 1.263 0.000 . . . . . . 103 ALA QB . 17109 1 978 . 1 1 103 103 ALA HB2 H 1 1.263 0.000 . . . . . . 103 ALA QB . 17109 1 979 . 1 1 103 103 ALA HB3 H 1 1.263 0.000 . . . . . . 103 ALA QB . 17109 1 980 . 1 1 103 103 ALA C C 13 17.587 0.000 . 1 . . . . 103 ALA C . 17109 1 981 . 1 1 103 103 ALA CA C 13 54.936 0.000 . 1 . . . . 103 ALA CA . 17109 1 982 . 1 1 103 103 ALA CB C 13 17.981 0.000 . 1 . . . . 103 ALA CB . 17109 1 983 . 1 1 103 103 ALA N N 15 121.632 0.000 . 1 . . . . 103 ALA N . 17109 1 984 . 1 1 104 104 ASP H H 1 8.325 0.000 . 1 . . . . 104 ASP H . 17109 1 985 . 1 1 104 104 ASP HA H 1 4.603 0.000 . 1 . . . . 104 ASP HA . 17109 1 986 . 1 1 104 104 ASP HB2 H 1 2.732 0.000 . 2 . . . . 104 ASP HB2 . 17109 1 987 . 1 1 104 104 ASP HB3 H 1 2.658 0.000 . 2 . . . . 104 ASP HB3 . 17109 1 988 . 1 1 104 104 ASP C C 13 15.283 0.000 . 1 . . . . 104 ASP C . 17109 1 989 . 1 1 104 104 ASP CA C 13 53.070 0.000 . 1 . . . . 104 ASP CA . 17109 1 990 . 1 1 104 104 ASP CB C 13 40.034 0.000 . 1 . . . . 104 ASP CB . 17109 1 991 . 1 1 104 104 ASP N N 15 114.513 0.000 . 1 . . . . 104 ASP N . 17109 1 992 . 1 1 105 105 ASP H H 1 7.051 0.000 . 1 . . . . 105 ASP H . 17109 1 993 . 1 1 105 105 ASP HA H 1 4.174 0.000 . 1 . . . . 105 ASP HA . 17109 1 994 . 1 1 105 105 ASP HB2 H 1 2.677 0.000 . 2 . . . . 105 ASP HB2 . 17109 1 995 . 1 1 105 105 ASP HB3 H 1 1.908 0.000 . 2 . . . . 105 ASP HB3 . 17109 1 996 . 1 1 105 105 ASP C C 13 17.674 0.000 . 1 . . . . 105 ASP C . 17109 1 997 . 1 1 105 105 ASP CA C 13 54.268 0.000 . 1 . . . . 105 ASP CA . 17109 1 998 . 1 1 105 105 ASP CB C 13 39.846 0.000 . 1 . . . . 105 ASP CB . 17109 1 999 . 1 1 105 105 ASP N N 15 119.184 0.000 . 1 . . . . 105 ASP N . 17109 1 1000 . 1 1 106 106 ARG H H 1 8.917 0.000 . 1 . . . . 106 ARG H . 17109 1 1001 . 1 1 106 106 ARG HA H 1 4.368 0.000 . 1 . . . . 106 ARG HA . 17109 1 1002 . 1 1 106 106 ARG HB2 H 1 2.056 0.000 . 2 . . . . 106 ARG HB2 . 17109 1 1003 . 1 1 106 106 ARG HB3 H 1 1.678 0.000 . 2 . . . . 106 ARG HB3 . 17109 1 1004 . 1 1 106 106 ARG HD2 H 1 3.119 0.000 . 2 . . . . 106 ARG HD2 . 17109 1 1005 . 1 1 106 106 ARG HG2 H 1 1.732 0.000 . 2 . . . . 106 ARG HG2 . 17109 1 1006 . 1 1 106 106 ARG HG3 H 1 1.666 0.000 . 2 . . . . 106 ARG HG3 . 17109 1 1007 . 1 1 106 106 ARG C C 13 17.709 0.000 . 1 . . . . 106 ARG C . 17109 1 1008 . 1 1 106 106 ARG CA C 13 55.888 0.000 . 1 . . . . 106 ARG CA . 17109 1 1009 . 1 1 106 106 ARG CB C 13 29.264 0.000 . 1 . . . . 106 ARG CB . 17109 1 1010 . 1 1 106 106 ARG CD C 13 42.555 0.000 . 1 . . . . 106 ARG CD . 17109 1 1011 . 1 1 106 106 ARG CG C 13 26.669 0.000 . 1 . . . . 106 ARG CG . 17109 1 1012 . 1 1 106 106 ARG N N 15 127.834 0.000 . 1 . . . . 106 ARG N . 17109 1 1013 . 1 1 107 107 THR H H 1 8.868 0.000 . 1 . . . . 107 THR H . 17109 1 1014 . 1 1 107 107 THR HA H 1 4.164 0.000 . 1 . . . . 107 THR HA . 17109 1 1015 . 1 1 107 107 THR HB H 1 4.353 0.000 . 1 . . . . 107 THR HB . 17109 1 1016 . 1 1 107 107 THR HG21 H 1 1.121 0.000 . . . . . . 107 THR QG2 . 17109 1 1017 . 1 1 107 107 THR HG22 H 1 1.121 0.000 . . . . . . 107 THR QG2 . 17109 1 1018 . 1 1 107 107 THR HG23 H 1 1.121 0.000 . . . . . . 107 THR QG2 . 17109 1 1019 . 1 1 107 107 THR C C 13 13.548 0.000 . 1 . . . . 107 THR C . 17109 1 1020 . 1 1 107 107 THR CA C 13 62.350 0.000 . 1 . . . . 107 THR CA . 17109 1 1021 . 1 1 107 107 THR CB C 13 68.935 0.000 . 1 . . . . 107 THR CB . 17109 1 1022 . 1 1 107 107 THR CG2 C 13 20.849 0.000 . 1 . . . . 107 THR CG2 . 17109 1 1023 . 1 1 107 107 THR N N 15 111.880 0.000 . 1 . . . . 107 THR N . 17109 1 1024 . 1 1 108 108 VAL H H 1 6.806 0.000 . 1 . . . . 108 VAL H . 17109 1 1025 . 1 1 108 108 VAL HA H 1 3.942 0.000 . 1 . . . . 108 VAL HA . 17109 1 1026 . 1 1 108 108 VAL HB H 1 1.792 0.000 . 1 . . . . 108 VAL HB . 17109 1 1027 . 1 1 108 108 VAL HG11 H 1 0.749 0.000 . . . . . . 108 VAL QG1 . 17109 1 1028 . 1 1 108 108 VAL HG12 H 1 0.749 0.000 . . . . . . 108 VAL QG1 . 17109 1 1029 . 1 1 108 108 VAL HG13 H 1 0.749 0.000 . . . . . . 108 VAL QG1 . 17109 1 1030 . 1 1 108 108 VAL HG21 H 1 0.690 0.000 . . . . . . 108 VAL QG2 . 17109 1 1031 . 1 1 108 108 VAL HG22 H 1 0.690 0.000 . . . . . . 108 VAL QG2 . 17109 1 1032 . 1 1 108 108 VAL HG23 H 1 0.690 0.000 . . . . . . 108 VAL QG2 . 17109 1 1033 . 1 1 108 108 VAL C C 13 16.853 0.000 . 1 . . . . 108 VAL C . 17109 1 1034 . 1 1 108 108 VAL CA C 13 63.878 0.000 . 1 . . . . 108 VAL CA . 17109 1 1035 . 1 1 108 108 VAL CB C 13 32.470 0.000 . 1 . . . . 108 VAL CB . 17109 1 1036 . 1 1 108 108 VAL CG1 C 13 21.166 0.000 . 2 . . . . 108 VAL CG1 . 17109 1 1037 . 1 1 108 108 VAL CG2 C 13 20.497 0.000 . 2 . . . . 108 VAL CG2 . 17109 1 1038 . 1 1 108 108 VAL N N 15 118.800 0.000 . 1 . . . . 108 VAL N . 17109 1 1039 . 1 1 109 109 ILE H H 1 8.044 0.000 . 1 . . . . 109 ILE H . 17109 1 1040 . 1 1 109 109 ILE HA H 1 3.465 0.000 . 1 . . . . 109 ILE HA . 17109 1 1041 . 1 1 109 109 ILE HB H 1 1.633 0.000 . 1 . . . . 109 ILE HB . 17109 1 1042 . 1 1 109 109 ILE HD11 H 1 -0.075 0.000 . . . . . . 109 ILE QD1 . 17109 1 1043 . 1 1 109 109 ILE HD12 H 1 -0.075 0.000 . . . . . . 109 ILE QD1 . 17109 1 1044 . 1 1 109 109 ILE HD13 H 1 -0.075 0.000 . . . . . . 109 ILE QD1 . 17109 1 1045 . 1 1 109 109 ILE HG12 H 1 1.133 0.000 . 2 . . . . 109 ILE HG12 . 17109 1 1046 . 1 1 109 109 ILE HG13 H 1 0.368 0.000 . 2 . . . . 109 ILE HG13 . 17109 1 1047 . 1 1 109 109 ILE HG21 H 1 0.142 0.000 . . . . . . 109 ILE QG2 . 17109 1 1048 . 1 1 109 109 ILE HG22 H 1 0.142 0.000 . . . . . . 109 ILE QG2 . 17109 1 1049 . 1 1 109 109 ILE HG23 H 1 0.142 0.000 . . . . . . 109 ILE QG2 . 17109 1 1050 . 1 1 109 109 ILE C C 13 13.191 0.000 . 1 . . . . 109 ILE C . 17109 1 1051 . 1 1 109 109 ILE CA C 13 60.963 0.000 . 1 . . . . 109 ILE CA . 17109 1 1052 . 1 1 109 109 ILE CB C 13 33.933 0.000 . 1 . . . . 109 ILE CB . 17109 1 1053 . 1 1 109 109 ILE CD1 C 13 11.495 0.000 . 1 . . . . 109 ILE CD1 . 17109 1 1054 . 1 1 109 109 ILE CG1 C 13 26.279 0.000 . 1 . . . . 109 ILE CG1 . 17109 1 1055 . 1 1 109 109 ILE CG2 C 13 17.237 0.000 . 1 . . . . 109 ILE CG2 . 17109 1 1056 . 1 1 109 109 ILE N N 15 120.219 0.000 . 1 . . . . 109 ILE N . 17109 1 1057 . 1 1 110 110 ILE H H 1 6.877 0.000 . 1 . . . . 110 ILE H . 17109 1 1058 . 1 1 110 110 ILE HA H 1 4.542 0.000 . 1 . . . . 110 ILE HA . 17109 1 1059 . 1 1 110 110 ILE HB H 1 1.881 0.000 . 1 . . . . 110 ILE HB . 17109 1 1060 . 1 1 110 110 ILE HD11 H 1 0.717 0.000 . . . . . . 110 ILE QD1 . 17109 1 1061 . 1 1 110 110 ILE HD12 H 1 0.717 0.000 . . . . . . 110 ILE QD1 . 17109 1 1062 . 1 1 110 110 ILE HD13 H 1 0.717 0.000 . . . . . . 110 ILE QD1 . 17109 1 1063 . 1 1 110 110 ILE HG12 H 1 1.142 0.000 . 2 . . . . 110 ILE HG12 . 17109 1 1064 . 1 1 110 110 ILE HG13 H 1 0.948 0.000 . 2 . . . . 110 ILE HG13 . 17109 1 1065 . 1 1 110 110 ILE HG21 H 1 0.783 0.000 . . . . . . 110 ILE QG2 . 17109 1 1066 . 1 1 110 110 ILE HG22 H 1 0.783 0.000 . . . . . . 110 ILE QG2 . 17109 1 1067 . 1 1 110 110 ILE HG23 H 1 0.783 0.000 . . . . . . 110 ILE QG2 . 17109 1 1068 . 1 1 110 110 ILE C C 13 14.405 0.000 . 1 . . . . 110 ILE C . 17109 1 1069 . 1 1 110 110 ILE CA C 13 57.932 0.000 . 1 . . . . 110 ILE CA . 17109 1 1070 . 1 1 110 110 ILE CB C 13 42.146 0.000 . 1 . . . . 110 ILE CB . 17109 1 1071 . 1 1 110 110 ILE CD1 C 13 17.361 0.000 . 1 . . . . 110 ILE CD1 . 17109 1 1072 . 1 1 110 110 ILE CG1 C 13 24.516 0.000 . 1 . . . . 110 ILE CG1 . 17109 1 1073 . 1 1 110 110 ILE CG2 C 13 13.689 0.000 . 1 . . . . 110 ILE CG2 . 17109 1 1074 . 1 1 110 110 ILE N N 15 118.810 0.000 . 1 . . . . 110 ILE N . 17109 1 1075 . 1 1 111 111 LYS H H 1 8.514 0.000 . 1 . . . . 111 LYS H . 17109 1 1076 . 1 1 111 111 LYS HA H 1 4.609 0.000 . 1 . . . . 111 LYS HA . 17109 1 1077 . 1 1 111 111 LYS HB2 H 1 1.705 0.000 . 2 . . . . 111 LYS HB2 . 17109 1 1078 . 1 1 111 111 LYS HD2 H 1 1.669 0.000 . 2 . . . . 111 LYS HD2 . 17109 1 1079 . 1 1 111 111 LYS HD3 H 1 1.624 0.000 . 2 . . . . 111 LYS HD3 . 17109 1 1080 . 1 1 111 111 LYS HE2 H 1 2.944 0.000 . 2 . . . . 111 LYS HE2 . 17109 1 1081 . 1 1 111 111 LYS HG2 H 1 1.456 0.000 . 2 . . . . 111 LYS HG2 . 17109 1 1082 . 1 1 111 111 LYS HG3 H 1 1.346 0.000 . 2 . . . . 111 LYS HG3 . 17109 1 1083 . 1 1 111 111 LYS C C 13 16.528 0.000 . 1 . . . . 111 LYS C . 17109 1 1084 . 1 1 111 111 LYS CA C 13 56.695 0.000 . 1 . . . . 111 LYS CA . 17109 1 1085 . 1 1 111 111 LYS CB C 13 33.092 0.000 . 1 . . . . 111 LYS CB . 17109 1 1086 . 1 1 111 111 LYS CD C 13 29.229 0.000 . 1 . . . . 111 LYS CD . 17109 1 1087 . 1 1 111 111 LYS CE C 13 41.712 0.000 . 1 . . . . 111 LYS CE . 17109 1 1088 . 1 1 111 111 LYS CG C 13 24.810 0.000 . 1 . . . . 111 LYS CG . 17109 1 1089 . 1 1 111 111 LYS N N 15 123.169 0.000 . 1 . . . . 111 LYS N . 17109 1 1090 . 1 1 112 112 LYS H H 1 8.368 0.000 . 1 . . . . 112 LYS H . 17109 1 1091 . 1 1 112 112 LYS HA H 1 4.726 0.000 . 1 . . . . 112 LYS HA . 17109 1 1092 . 1 1 112 112 LYS HB2 H 1 1.850 0.000 . 2 . . . . 112 LYS HB2 . 17109 1 1093 . 1 1 112 112 LYS HB3 H 1 1.626 0.000 . 2 . . . . 112 LYS HB3 . 17109 1 1094 . 1 1 112 112 LYS HD2 H 1 0.576 0.000 . 2 . . . . 112 LYS HD2 . 17109 1 1095 . 1 1 112 112 LYS HE2 H 1 2.189 0.000 . 2 . . . . 112 LYS HE2 . 17109 1 1096 . 1 1 112 112 LYS HE3 H 1 2.086 0.000 . 2 . . . . 112 LYS HE3 . 17109 1 1097 . 1 1 112 112 LYS HG2 H 1 1.099 0.000 . 2 . . . . 112 LYS HG2 . 17109 1 1098 . 1 1 112 112 LYS C C 13 15.996 0.000 . 1 . . . . 112 LYS C . 17109 1 1099 . 1 1 112 112 LYS CA C 13 53.271 0.000 . 1 . . . . 112 LYS CA . 17109 1 1100 . 1 1 112 112 LYS CB C 13 36.089 0.000 . 1 . . . . 112 LYS CB . 17109 1 1101 . 1 1 112 112 LYS CD C 13 24.771 0.000 . 1 . . . . 112 LYS CD . 17109 1 1102 . 1 1 112 112 LYS CE C 13 42.351 0.000 . 1 . . . . 112 LYS CE . 17109 1 1103 . 1 1 112 112 LYS CG C 13 24.836 0.000 . 1 . . . . 112 LYS CG . 17109 1 1104 . 1 1 112 112 LYS N N 15 121.364 0.000 . 1 . . . . 112 LYS N . 17109 1 1105 . 1 1 113 113 GLU H H 1 8.815 0.000 . 1 . . . . 113 GLU H . 17109 1 1106 . 1 1 113 113 GLU HA H 1 4.372 0.000 . 1 . . . . 113 GLU HA . 17109 1 1107 . 1 1 113 113 GLU HB2 H 1 2.295 0.000 . 2 . . . . 113 GLU HB2 . 17109 1 1108 . 1 1 113 113 GLU HB3 H 1 1.726 0.000 . 2 . . . . 113 GLU HB3 . 17109 1 1109 . 1 1 113 113 GLU HG2 H 1 2.203 0.000 . 2 . . . . 113 GLU HG2 . 17109 1 1110 . 1 1 113 113 GLU HG3 H 1 2.125 0.000 . 2 . . . . 113 GLU HG3 . 17109 1 1111 . 1 1 113 113 GLU C C 13 14.477 0.000 . 1 . . . . 113 GLU C . 17109 1 1112 . 1 1 113 113 GLU CA C 13 55.175 0.000 . 1 . . . . 113 GLU CA . 17109 1 1113 . 1 1 113 113 GLU CB C 13 29.097 0.000 . 1 . . . . 113 GLU CB . 17109 1 1114 . 1 1 113 113 GLU CG C 13 36.014 0.000 . 1 . . . . 113 GLU CG . 17109 1 1115 . 1 1 113 113 GLU N N 15 119.360 0.000 . 1 . . . . 113 GLU N . 17109 1 1116 . 1 1 114 114 GLU H H 1 7.426 0.000 . 1 . . . . 114 GLU H . 17109 1 1117 . 1 1 114 114 GLU HA H 1 4.701 0.000 . 1 . . . . 114 GLU HA . 17109 1 1118 . 1 1 114 114 GLU HB2 H 1 1.954 0.000 . 2 . . . . 114 GLU HB2 . 17109 1 1119 . 1 1 114 114 GLU HG2 H 1 2.011 0.000 . 2 . . . . 114 GLU HG2 . 17109 1 1120 . 1 1 114 114 GLU HG3 H 1 1.895 0.000 . 2 . . . . 114 GLU HG3 . 17109 1 1121 . 1 1 114 114 GLU C C 13 12.378 0.000 . 1 . . . . 114 GLU C . 17109 1 1122 . 1 1 114 114 GLU CA C 13 52.633 0.000 . 1 . . . . 114 GLU CA . 17109 1 1123 . 1 1 114 114 GLU CB C 13 30.487 0.000 . 1 . . . . 114 GLU CB . 17109 1 1124 . 1 1 114 114 GLU CG C 13 34.955 0.000 . 1 . . . . 114 GLU CG . 17109 1 1125 . 1 1 114 114 GLU N N 15 117.663 0.000 . 1 . . . . 114 GLU N . 17109 1 1126 . 1 1 115 115 PRO HA H 1 4.725 0.000 . 1 . . . . 115 PRO HA . 17109 1 1127 . 1 1 115 115 PRO HB2 H 1 2.215 0.000 . 2 . . . . 115 PRO HB2 . 17109 1 1128 . 1 1 115 115 PRO HB3 H 1 2.070 0.000 . 2 . . . . 115 PRO HB3 . 17109 1 1129 . 1 1 115 115 PRO HD2 H 1 3.664 0.000 . 2 . . . . 115 PRO HD2 . 17109 1 1130 . 1 1 115 115 PRO HD3 H 1 3.596 0.000 . 2 . . . . 115 PRO HD3 . 17109 1 1131 . 1 1 115 115 PRO HG2 H 1 2.239 0.000 . 2 . . . . 115 PRO HG2 . 17109 1 1132 . 1 1 115 115 PRO HG3 H 1 1.931 0.000 . 2 . . . . 115 PRO HG3 . 17109 1 1133 . 1 1 115 115 PRO CA C 13 62.352 0.000 . 1 . . . . 115 PRO CA . 17109 1 1134 . 1 1 115 115 PRO CB C 13 30.706 0.000 . 1 . . . . 115 PRO CB . 17109 1 1135 . 1 1 115 115 PRO CD C 13 49.760 0.000 . 1 . . . . 115 PRO CD . 17109 1 1136 . 1 1 115 115 PRO CG C 13 28.362 0.000 . 1 . . . . 115 PRO CG . 17109 1 1137 . 1 1 116 116 ILE H H 1 7.830 0.000 . 1 . . . . 116 ILE H . 17109 1 1138 . 1 1 116 116 ILE HA H 1 4.785 0.000 . 1 . . . . 116 ILE HA . 17109 1 1139 . 1 1 116 116 ILE HB H 1 1.489 0.000 . 1 . . . . 116 ILE HB . 17109 1 1140 . 1 1 116 116 ILE HD11 H 1 0.645 0.000 . . . . . . 116 ILE QD1 . 17109 1 1141 . 1 1 116 116 ILE HD12 H 1 0.645 0.000 . . . . . . 116 ILE QD1 . 17109 1 1142 . 1 1 116 116 ILE HD13 H 1 0.645 0.000 . . . . . . 116 ILE QD1 . 17109 1 1143 . 1 1 116 116 ILE HG12 H 1 1.360 0.000 . 2 . . . . 116 ILE HG12 . 17109 1 1144 . 1 1 116 116 ILE HG13 H 1 0.992 0.000 . 2 . . . . 116 ILE HG13 . 17109 1 1145 . 1 1 116 116 ILE HG21 H 1 0.750 0.000 . . . . . . 116 ILE QG2 . 17109 1 1146 . 1 1 116 116 ILE HG22 H 1 0.750 0.000 . . . . . . 116 ILE QG2 . 17109 1 1147 . 1 1 116 116 ILE HG23 H 1 0.750 0.000 . . . . . . 116 ILE QG2 . 17109 1 1148 . 1 1 116 116 ILE C C 13 12.992 0.000 . 1 . . . . 116 ILE C . 17109 1 1149 . 1 1 116 116 ILE CA C 13 56.976 0.000 . 1 . . . . 116 ILE CA . 17109 1 1150 . 1 1 116 116 ILE CB C 13 41.420 0.000 . 1 . . . . 116 ILE CB . 17109 1 1151 . 1 1 116 116 ILE CD1 C 13 9.887 0.000 . 1 . . . . 116 ILE CD1 . 17109 1 1152 . 1 1 116 116 ILE CG1 C 13 26.424 0.000 . 1 . . . . 116 ILE CG1 . 17109 1 1153 . 1 1 116 116 ILE CG2 C 13 17.672 0.000 . 1 . . . . 116 ILE CG2 . 17109 1 1154 . 1 1 116 116 ILE N N 15 130.249 0.000 . 1 . . . . 116 ILE N . 17109 1 1155 . 1 1 117 117 LEU H H 1 8.838 0.000 . 1 . . . . 117 LEU H . 17109 1 1156 . 1 1 117 117 LEU HA H 1 5.307 0.000 . 1 . . . . 117 LEU HA . 17109 1 1157 . 1 1 117 117 LEU HB2 H 1 0.840 0.000 . 2 . . . . 117 LEU HB2 . 17109 1 1158 . 1 1 117 117 LEU HB3 H 1 0.098 0.000 . 2 . . . . 117 LEU HB3 . 17109 1 1159 . 1 1 117 117 LEU HD11 H 1 0.069 0.000 . . . . . . 117 LEU QD1 . 17109 1 1160 . 1 1 117 117 LEU HD12 H 1 0.069 0.000 . . . . . . 117 LEU QD1 . 17109 1 1161 . 1 1 117 117 LEU HD13 H 1 0.069 0.000 . . . . . . 117 LEU QD1 . 17109 1 1162 . 1 1 117 117 LEU HG H 1 0.361 0.000 . 1 . . . . 117 LEU HG . 17109 1 1163 . 1 1 117 117 LEU C C 13 14.488 0.000 . 1 . . . . 117 LEU C . 17109 1 1164 . 1 1 117 117 LEU CA C 13 52.062 0.000 . 1 . . . . 117 LEU CA . 17109 1 1165 . 1 1 117 117 LEU CB C 13 45.447 0.000 . 1 . . . . 117 LEU CB . 17109 1 1166 . 1 1 117 117 LEU CD1 C 13 25.787 0.000 . 2 . . . . 117 LEU CD1 . 17109 1 1167 . 1 1 117 117 LEU CG C 13 23.848 0.000 . 1 . . . . 117 LEU CG . 17109 1 1168 . 1 1 117 117 LEU N N 15 128.340 0.000 . 1 . . . . 117 LEU N . 17109 1 1169 . 1 1 118 118 THR H H 1 8.950 0.000 . 1 . . . . 118 THR H . 17109 1 1170 . 1 1 118 118 THR HA H 1 5.448 0.000 . 1 . . . . 118 THR HA . 17109 1 1171 . 1 1 118 118 THR HB H 1 3.660 0.000 . 1 . . . . 118 THR HB . 17109 1 1172 . 1 1 118 118 THR HG21 H 1 0.721 0.000 . . . . . . 118 THR QG2 . 17109 1 1173 . 1 1 118 118 THR HG22 H 1 0.721 0.000 . . . . . . 118 THR QG2 . 17109 1 1174 . 1 1 118 118 THR HG23 H 1 0.721 0.000 . . . . . . 118 THR QG2 . 17109 1 1175 . 1 1 118 118 THR C C 13 13.169 0.000 . 1 . . . . 118 THR C . 17109 1 1176 . 1 1 118 118 THR CA C 13 60.596 0.000 . 1 . . . . 118 THR CA . 17109 1 1177 . 1 1 118 118 THR CB C 13 68.558 0.000 . 1 . . . . 118 THR CB . 17109 1 1178 . 1 1 118 118 THR CG2 C 13 22.891 0.000 . 1 . . . . 118 THR CG2 . 17109 1 1179 . 1 1 118 118 THR N N 15 125.436 0.000 . 1 . . . . 118 THR N . 17109 1 1180 . 1 1 119 119 LEU H H 1 9.219 0.000 . 1 . . . . 119 LEU H . 17109 1 1181 . 1 1 119 119 LEU HA H 1 5.103 0.000 . 1 . . . . 119 LEU HA . 17109 1 1182 . 1 1 119 119 LEU HB2 H 1 1.473 0.000 . 2 . . . . 119 LEU HB2 . 17109 1 1183 . 1 1 119 119 LEU HB3 H 1 0.970 0.000 . 2 . . . . 119 LEU HB3 . 17109 1 1184 . 1 1 119 119 LEU HD11 H 1 0.762 0.000 . . . . . . 119 LEU QD1 . 17109 1 1185 . 1 1 119 119 LEU HD12 H 1 0.762 0.000 . . . . . . 119 LEU QD1 . 17109 1 1186 . 1 1 119 119 LEU HD13 H 1 0.762 0.000 . . . . . . 119 LEU QD1 . 17109 1 1187 . 1 1 119 119 LEU HD21 H 1 0.477 0.000 . . . . . . 119 LEU QD2 . 17109 1 1188 . 1 1 119 119 LEU HD22 H 1 0.477 0.000 . . . . . . 119 LEU QD2 . 17109 1 1189 . 1 1 119 119 LEU HD23 H 1 0.477 0.000 . . . . . . 119 LEU QD2 . 17109 1 1190 . 1 1 119 119 LEU HG H 1 1.241 0.000 . 1 . . . . 119 LEU HG . 17109 1 1191 . 1 1 119 119 LEU C C 13 14.404 0.000 . 1 . . . . 119 LEU C . 17109 1 1192 . 1 1 119 119 LEU CA C 13 52.439 0.000 . 1 . . . . 119 LEU CA . 17109 1 1193 . 1 1 119 119 LEU CB C 13 44.373 0.000 . 1 . . . . 119 LEU CB . 17109 1 1194 . 1 1 119 119 LEU CD1 C 13 18.661 0.000 . 2 . . . . 119 LEU CD1 . 17109 1 1195 . 1 1 119 119 LEU CD2 C 13 25.773 0.000 . 2 . . . . 119 LEU CD2 . 17109 1 1196 . 1 1 119 119 LEU CG C 13 27.468 0.000 . 1 . . . . 119 LEU CG . 17109 1 1197 . 1 1 119 119 LEU N N 15 128.310 0.000 . 1 . . . . 119 LEU N . 17109 1 1198 . 1 1 120 120 THR H H 1 8.640 0.000 . 1 . . . . 120 THR H . 17109 1 1199 . 1 1 120 120 THR HA H 1 5.590 0.000 . 1 . . . . 120 THR HA . 17109 1 1200 . 1 1 120 120 THR HB H 1 3.653 0.000 . 1 . . . . 120 THR HB . 17109 1 1201 . 1 1 120 120 THR HG21 H 1 0.892 0.000 . . . . . . 120 THR QG2 . 17109 1 1202 . 1 1 120 120 THR HG22 H 1 0.892 0.000 . . . . . . 120 THR QG2 . 17109 1 1203 . 1 1 120 120 THR HG23 H 1 0.892 0.000 . . . . . . 120 THR QG2 . 17109 1 1204 . 1 1 120 120 THR C C 13 12.735 0.000 . 1 . . . . 120 THR C . 17109 1 1205 . 1 1 120 120 THR CA C 13 57.360 0.000 . 1 . . . . 120 THR CA . 17109 1 1206 . 1 1 120 120 THR CB C 13 70.136 0.000 . 1 . . . . 120 THR CB . 17109 1 1207 . 1 1 120 120 THR CG2 C 13 19.916 0.000 . 1 . . . . 120 THR CG2 . 17109 1 1208 . 1 1 120 120 THR N N 15 117.487 0.000 . 1 . . . . 120 THR N . 17109 1 1209 . 1 1 121 121 THR H H 1 8.374 0.000 . 1 . . . . 121 THR H . 17109 1 1210 . 1 1 121 121 THR HA H 1 4.766 0.000 . 1 . . . . 121 THR HA . 17109 1 1211 . 1 1 121 121 THR HB H 1 4.169 0.000 . 1 . . . . 121 THR HB . 17109 1 1212 . 1 1 121 121 THR HG21 H 1 0.456 0.000 . . . . . . 121 THR QG2 . 17109 1 1213 . 1 1 121 121 THR HG22 H 1 0.456 0.000 . . . . . . 121 THR QG2 . 17109 1 1214 . 1 1 121 121 THR HG23 H 1 0.456 0.000 . . . . . . 121 THR QG2 . 17109 1 1215 . 1 1 121 121 THR C C 13 14.145 0.000 . 1 . . . . 121 THR C . 17109 1 1216 . 1 1 121 121 THR CA C 13 59.550 0.000 . 1 . . . . 121 THR CA . 17109 1 1217 . 1 1 121 121 THR CB C 13 71.701 0.000 . 1 . . . . 121 THR CB . 17109 1 1218 . 1 1 121 121 THR CG2 C 13 22.856 0.000 . 1 . . . . 121 THR CG2 . 17109 1 1219 . 1 1 121 121 THR N N 15 115.980 0.000 . 1 . . . . 121 THR N . 17109 1 1220 . 1 1 122 122 CYS H H 1 8.832 0.000 . 1 . . . . 122 CYS H . 17109 1 1221 . 1 1 122 122 CYS HA H 1 4.285 0.000 . 1 . . . . 122 CYS HA . 17109 1 1222 . 1 1 122 122 CYS CA C 13 61.305 0.000 . 1 . . . . 122 CYS CA . 17109 1 1223 . 1 1 122 122 CYS CB C 13 28.359 0.000 . 1 . . . . 122 CYS CB . 17109 1 1224 . 1 1 122 122 CYS N N 15 120.535 0.000 . 1 . . . . 122 CYS N . 17109 1 1225 . 1 1 123 123 TYR H H 1 7.453 0.000 . 1 . . . . 123 TYR H . 17109 1 1226 . 1 1 123 123 TYR HA H 1 3.824 0.000 . 1 . . . . 123 TYR HA . 17109 1 1227 . 1 1 123 123 TYR HB2 H 1 2.944 0.000 . 2 . . . . 123 TYR HB2 . 17109 1 1228 . 1 1 123 123 TYR HB3 H 1 2.734 0.000 . 2 . . . . 123 TYR HB3 . 17109 1 1229 . 1 1 123 123 TYR HD1 H 1 7.042 0.000 . 3 . . . . 123 TYR QD . 17109 1 1230 . 1 1 123 123 TYR HD2 H 1 7.042 0.000 . 3 . . . . 123 TYR QD . 17109 1 1231 . 1 1 123 123 TYR HE1 H 1 6.759 0.000 . 3 . . . . 123 TYR QE . 17109 1 1232 . 1 1 123 123 TYR HE2 H 1 6.759 0.000 . 3 . . . . 123 TYR QE . 17109 1 1233 . 1 1 123 123 TYR CA C 13 56.208 0.000 . 1 . . . . 123 TYR CA . 17109 1 1234 . 1 1 123 123 TYR N N 15 121.847 0.000 . 1 . . . . 123 TYR N . 17109 1 1235 . 1 1 124 124 PRO HA H 1 1.977 0.000 . 1 . . . . 124 PRO HA . 17109 1 1236 . 1 1 124 124 PRO HB2 H 1 1.697 0.000 . 2 . . . . 124 PRO HB2 . 17109 1 1237 . 1 1 124 124 PRO HD2 H 1 3.826 0.000 . 2 . . . . 124 PRO HD2 . 17109 1 1238 . 1 1 124 124 PRO HG2 H 1 1.485 0.000 . 2 . . . . 124 PRO HG2 . 17109 1 1239 . 1 1 124 124 PRO CA C 13 61.450 0.000 . 1 . . . . 124 PRO CA . 17109 1 1240 . 1 1 124 124 PRO CB C 13 34.271 0.000 . 1 . . . . 124 PRO CB . 17109 1 1241 . 1 1 124 124 PRO CD C 13 55.846 0.000 . 1 . . . . 124 PRO CD . 17109 1 1242 . 1 1 125 125 PHE H H 1 7.332 0.000 . 1 . . . . 125 PHE H . 17109 1 1243 . 1 1 125 125 PHE HA H 1 4.420 0.000 . 1 . . . . 125 PHE HA . 17109 1 1244 . 1 1 125 125 PHE HB2 H 1 3.271 0.000 . 2 . . . . 125 PHE HB2 . 17109 1 1245 . 1 1 125 125 PHE HB3 H 1 2.669 0.000 . 2 . . . . 125 PHE HB3 . 17109 1 1246 . 1 1 125 125 PHE HD1 H 1 7.336 0.000 . 3 . . . . 125 PHE QD . 17109 1 1247 . 1 1 125 125 PHE HD2 H 1 7.336 0.000 . 3 . . . . 125 PHE QD . 17109 1 1248 . 1 1 125 125 PHE HE1 H 1 6.972 0.000 . 3 . . . . 125 PHE QE . 17109 1 1249 . 1 1 125 125 PHE HE2 H 1 6.972 0.000 . 3 . . . . 125 PHE QE . 17109 1 1250 . 1 1 125 125 PHE C C 13 16.083 0.000 . 1 . . . . 125 PHE C . 17109 1 1251 . 1 1 125 125 PHE CA C 13 58.918 0.000 . 1 . . . . 125 PHE CA . 17109 1 1252 . 1 1 125 125 PHE CB C 13 38.624 0.000 . 1 . . . . 125 PHE CB . 17109 1 1253 . 1 1 125 125 PHE CD1 C 13 132.448 0.000 . 3 . . . . 125 PHE CD1 . 17109 1 1254 . 1 1 125 125 PHE CE1 C 13 132.234 0.000 . 3 . . . . 125 PHE CE1 . 17109 1 1255 . 1 1 125 125 PHE N N 15 120.612 0.000 . 1 . . . . 125 PHE N . 17109 1 1256 . 1 1 126 126 ASP H H 1 8.170 0.000 . 1 . . . . 126 ASP H . 17109 1 1257 . 1 1 126 126 ASP HA H 1 4.548 0.000 . 1 . . . . 126 ASP HA . 17109 1 1258 . 1 1 126 126 ASP HB2 H 1 2.795 0.000 . 2 . . . . 126 ASP HB2 . 17109 1 1259 . 1 1 126 126 ASP HB3 H 1 2.460 0.000 . 2 . . . . 126 ASP HB3 . 17109 1 1260 . 1 1 126 126 ASP C C 13 15.285 0.000 . 1 . . . . 126 ASP C . 17109 1 1261 . 1 1 126 126 ASP CA C 13 51.974 0.000 . 1 . . . . 126 ASP CA . 17109 1 1262 . 1 1 126 126 ASP CB C 13 39.454 0.000 . 1 . . . . 126 ASP CB . 17109 1 1263 . 1 1 126 126 ASP N N 15 114.756 0.000 . 1 . . . . 126 ASP N . 17109 1 1264 . 1 1 127 127 TYR H H 1 7.203 0.000 . 1 . . . . 127 TYR H . 17109 1 1265 . 1 1 127 127 TYR HA H 1 3.974 0.000 . 1 . . . . 127 TYR HA . 17109 1 1266 . 1 1 127 127 TYR HB2 H 1 2.765 0.000 . 2 . . . . 127 TYR HB2 . 17109 1 1267 . 1 1 127 127 TYR HB3 H 1 2.690 0.000 . 2 . . . . 127 TYR HB3 . 17109 1 1268 . 1 1 127 127 TYR HD1 H 1 6.743 0.000 . 3 . . . . 127 TYR QD . 17109 1 1269 . 1 1 127 127 TYR HD2 H 1 6.743 0.000 . 3 . . . . 127 TYR QD . 17109 1 1270 . 1 1 127 127 TYR HE1 H 1 6.595 0.000 . 3 . . . . 127 TYR QE . 17109 1 1271 . 1 1 127 127 TYR HE2 H 1 6.595 0.000 . 3 . . . . 127 TYR QE . 17109 1 1272 . 1 1 127 127 TYR C C 13 15.022 0.000 . 1 . . . . 127 TYR C . 17109 1 1273 . 1 1 127 127 TYR CA C 13 58.734 0.000 . 1 . . . . 127 TYR CA . 17109 1 1274 . 1 1 127 127 TYR CB C 13 39.330 0.000 . 1 . . . . 127 TYR CB . 17109 1 1275 . 1 1 127 127 TYR CD1 C 13 131.860 0.000 . 3 . . . . 127 TYR CD1 . 17109 1 1276 . 1 1 127 127 TYR CE1 C 13 109.619 0.000 . 3 . . . . 127 TYR CE1 . 17109 1 1277 . 1 1 127 127 TYR N N 15 121.170 0.000 . 1 . . . . 127 TYR N . 17109 1 1278 . 1 1 128 128 ILE H H 1 7.643 0.000 . 1 . . . . 128 ILE H . 17109 1 1279 . 1 1 128 128 ILE HA H 1 4.081 0.000 . 1 . . . . 128 ILE HA . 17109 1 1280 . 1 1 128 128 ILE HB H 1 1.566 0.000 . 1 . . . . 128 ILE HB . 17109 1 1281 . 1 1 128 128 ILE HD11 H 1 0.677 0.000 . . . . . . 128 ILE QD1 . 17109 1 1282 . 1 1 128 128 ILE HD12 H 1 0.677 0.000 . . . . . . 128 ILE QD1 . 17109 1 1283 . 1 1 128 128 ILE HD13 H 1 0.677 0.000 . . . . . . 128 ILE QD1 . 17109 1 1284 . 1 1 128 128 ILE HG12 H 1 1.365 0.000 . 2 . . . . 128 ILE HG12 . 17109 1 1285 . 1 1 128 128 ILE HG13 H 1 0.993 0.000 . 2 . . . . 128 ILE HG13 . 17109 1 1286 . 1 1 128 128 ILE HG21 H 1 0.689 0.000 . . . . . . 128 ILE QG2 . 17109 1 1287 . 1 1 128 128 ILE HG22 H 1 0.689 0.000 . . . . . . 128 ILE QG2 . 17109 1 1288 . 1 1 128 128 ILE HG23 H 1 0.689 0.000 . . . . . . 128 ILE QG2 . 17109 1 1289 . 1 1 128 128 ILE C C 13 14.579 0.000 . 1 . . . . 128 ILE C . 17109 1 1290 . 1 1 128 128 ILE CA C 13 60.165 0.000 . 1 . . . . 128 ILE CA . 17109 1 1291 . 1 1 128 128 ILE CB C 13 37.120 0.000 . 1 . . . . 128 ILE CB . 17109 1 1292 . 1 1 128 128 ILE CD1 C 13 13.938 0.000 . 1 . . . . 128 ILE CD1 . 17109 1 1293 . 1 1 128 128 ILE CG1 C 13 26.425 0.000 . 1 . . . . 128 ILE CG1 . 17109 1 1294 . 1 1 128 128 ILE CG2 C 13 17.969 0.000 . 1 . . . . 128 ILE CG2 . 17109 1 1295 . 1 1 128 128 ILE N N 15 127.293 0.000 . 1 . . . . 128 ILE N . 17109 1 1296 . 1 1 129 129 GLY H H 1 8.150 0.000 . 1 . . . . 129 GLY H . 17109 1 1297 . 1 1 129 129 GLY HA2 H 1 4.265 0.000 . 2 . . . . 129 GLY HA2 . 17109 1 1298 . 1 1 129 129 GLY HA3 H 1 3.643 0.000 . 2 . . . . 129 GLY HA3 . 17109 1 1299 . 1 1 129 129 GLY C C 13 12.992 0.000 . 1 . . . . 129 GLY C . 17109 1 1300 . 1 1 129 129 GLY CA C 13 43.458 0.000 . 1 . . . . 129 GLY CA . 17109 1 1301 . 1 1 129 129 GLY N N 15 114.707 0.000 . 1 . . . . 129 GLY N . 17109 1 1302 . 1 1 130 130 ASP H H 1 8.568 0.000 . 1 . . . . 130 ASP H . 17109 1 1303 . 1 1 130 130 ASP HA H 1 4.639 0.000 . 1 . . . . 130 ASP HA . 17109 1 1304 . 1 1 130 130 ASP HB2 H 1 2.543 0.000 . 2 . . . . 130 ASP HB2 . 17109 1 1305 . 1 1 130 130 ASP C C 13 14.579 0.000 . 1 . . . . 130 ASP C . 17109 1 1306 . 1 1 130 130 ASP CA C 13 53.344 0.000 . 1 . . . . 130 ASP CA . 17109 1 1307 . 1 1 130 130 ASP CB C 13 39.979 0.000 . 1 . . . . 130 ASP CB . 17109 1 1308 . 1 1 130 130 ASP N N 15 122.165 0.000 . 1 . . . . 130 ASP N . 17109 1 1309 . 1 1 131 131 ALA H H 1 8.272 0.000 . 1 . . . . 131 ALA H . 17109 1 1310 . 1 1 131 131 ALA HA H 1 3.673 0.000 . 1 . . . . 131 ALA HA . 17109 1 1311 . 1 1 131 131 ALA HB1 H 1 1.142 0.000 . . . . . . 131 ALA QB . 17109 1 1312 . 1 1 131 131 ALA HB2 H 1 1.142 0.000 . . . . . . 131 ALA QB . 17109 1 1313 . 1 1 131 131 ALA HB3 H 1 1.142 0.000 . . . . . . 131 ALA QB . 17109 1 1314 . 1 1 131 131 ALA C C 13 16.791 0.000 . 1 . . . . 131 ALA C . 17109 1 1315 . 1 1 131 131 ALA CA C 13 50.186 0.000 . 1 . . . . 131 ALA CA . 17109 1 1316 . 1 1 131 131 ALA CB C 13 17.692 0.000 . 1 . . . . 131 ALA CB . 17109 1 1317 . 1 1 131 131 ALA N N 15 128.922 0.000 . 1 . . . . 131 ALA N . 17109 1 1318 . 1 1 133 133 ASP H H 1 7.355 0.000 . 1 . . . . 133 ASP H . 17109 1 1319 . 1 1 133 133 ASP HA H 1 5.512 0.000 . 1 . . . . 133 ASP HA . 17109 1 1320 . 1 1 133 133 ASP HB2 H 1 2.658 0.000 . 2 . . . . 133 ASP HB2 . 17109 1 1321 . 1 1 133 133 ASP HB3 H 1 2.588 0.000 . 2 . . . . 133 ASP HB3 . 17109 1 1322 . 1 1 133 133 ASP C C 13 15.988 0.000 . 1 . . . . 133 ASP C . 17109 1 1323 . 1 1 133 133 ASP CA C 13 53.067 0.000 . 1 . . . . 133 ASP CA . 17109 1 1324 . 1 1 133 133 ASP CB C 13 45.102 0.000 . 1 . . . . 133 ASP CB . 17109 1 1325 . 1 1 133 133 ASP N N 15 117.308 0.000 . 1 . . . . 133 ASP N . 17109 1 1326 . 1 1 134 134 ARG H H 1 9.303 0.000 . 1 . . . . 134 ARG H . 17109 1 1327 . 1 1 134 134 ARG HA H 1 4.901 0.000 . 1 . . . . 134 ARG HA . 17109 1 1328 . 1 1 134 134 ARG HB2 H 1 1.915 0.000 . 2 . . . . 134 ARG HB2 . 17109 1 1329 . 1 1 134 134 ARG HB3 H 1 1.812 0.000 . 2 . . . . 134 ARG HB3 . 17109 1 1330 . 1 1 134 134 ARG C C 13 12.288 0.000 . 1 . . . . 134 ARG C . 17109 1 1331 . 1 1 134 134 ARG CA C 13 53.958 0.000 . 1 . . . . 134 ARG CA . 17109 1 1332 . 1 1 134 134 ARG CB C 13 33.787 0.000 . 1 . . . . 134 ARG CB . 17109 1 1333 . 1 1 134 134 ARG N N 15 120.839 0.000 . 1 . . . . 134 ARG N . 17109 1 1334 . 1 1 135 135 TYR H H 1 8.876 0.000 . 1 . . . . 135 TYR H . 17109 1 1335 . 1 1 135 135 TYR HA H 1 4.056 0.000 . 1 . . . . 135 TYR HA . 17109 1 1336 . 1 1 135 135 TYR HB2 H 1 3.063 0.000 . 2 . . . . 135 TYR HB2 . 17109 1 1337 . 1 1 135 135 TYR HB3 H 1 2.169 0.000 . 2 . . . . 135 TYR HB3 . 17109 1 1338 . 1 1 135 135 TYR HD1 H 1 6.400 0.000 . 3 . . . . 135 TYR QD . 17109 1 1339 . 1 1 135 135 TYR HD2 H 1 6.400 0.000 . 3 . . . . 135 TYR QD . 17109 1 1340 . 1 1 135 135 TYR HE1 H 1 6.453 0.000 . 3 . . . . 135 TYR QE . 17109 1 1341 . 1 1 135 135 TYR HE2 H 1 6.453 0.000 . 3 . . . . 135 TYR QE . 17109 1 1342 . 1 1 135 135 TYR C C 13 13.811 0.000 . 1 . . . . 135 TYR C . 17109 1 1343 . 1 1 135 135 TYR CA C 13 57.419 0.000 . 1 . . . . 135 TYR CA . 17109 1 1344 . 1 1 135 135 TYR CB C 13 40.515 0.000 . 1 . . . . 135 TYR CB . 17109 1 1345 . 1 1 135 135 TYR CD1 C 13 135.557 0.000 . 3 . . . . 135 TYR CD1 . 17109 1 1346 . 1 1 135 135 TYR CE1 C 13 106.548 0.000 . 3 . . . . 135 TYR CE1 . 17109 1 1347 . 1 1 135 135 TYR N N 15 127.342 0.000 . 1 . . . . 135 TYR N . 17109 1 1348 . 1 1 136 136 ILE H H 1 8.577 0.000 . 1 . . . . 136 ILE H . 17109 1 1349 . 1 1 136 136 ILE HA H 1 4.133 0.000 . 1 . . . . 136 ILE HA . 17109 1 1350 . 1 1 136 136 ILE HB H 1 1.617 0.000 . 1 . . . . 136 ILE HB . 17109 1 1351 . 1 1 136 136 ILE HD11 H 1 0.000 0.000 . . . . . . 136 ILE QD1 . 17109 1 1352 . 1 1 136 136 ILE HD12 H 1 0.000 0.000 . . . . . . 136 ILE QD1 . 17109 1 1353 . 1 1 136 136 ILE HD13 H 1 0.000 0.000 . . . . . . 136 ILE QD1 . 17109 1 1354 . 1 1 136 136 ILE HG21 H 1 -0.200 0.000 . . . . . . 136 ILE QG2 . 17109 1 1355 . 1 1 136 136 ILE HG22 H 1 -0.200 0.000 . . . . . . 136 ILE QG2 . 17109 1 1356 . 1 1 136 136 ILE HG23 H 1 -0.200 0.000 . . . . . . 136 ILE QG2 . 17109 1 1357 . 1 1 136 136 ILE C C 13 13.610 0.000 . 1 . . . . 136 ILE C . 17109 1 1358 . 1 1 136 136 ILE CA C 13 58.968 0.000 . 1 . . . . 136 ILE CA . 17109 1 1359 . 1 1 136 136 ILE CB C 13 40.998 0.000 . 1 . . . . 136 ILE CB . 17109 1 1360 . 1 1 136 136 ILE CD1 C 13 11.127 0.000 . 1 . . . . 136 ILE CD1 . 17109 1 1361 . 1 1 136 136 ILE CG2 C 13 18.892 0.000 . 1 . . . . 136 ILE CG2 . 17109 1 1362 . 1 1 136 136 ILE N N 15 128.458 0.000 . 1 . . . . 136 ILE N . 17109 1 1363 . 1 1 137 137 ILE H H 1 8.281 0.000 . 1 . . . . 137 ILE H . 17109 1 1364 . 1 1 137 137 ILE HA H 1 4.330 0.000 . 1 . . . . 137 ILE HA . 17109 1 1365 . 1 1 137 137 ILE HB H 1 1.625 0.000 . 1 . . . . 137 ILE HB . 17109 1 1366 . 1 1 137 137 ILE HD11 H 1 0.925 0.000 . . . . . . 137 ILE QD1 . 17109 1 1367 . 1 1 137 137 ILE HD12 H 1 0.925 0.000 . . . . . . 137 ILE QD1 . 17109 1 1368 . 1 1 137 137 ILE HD13 H 1 0.925 0.000 . . . . . . 137 ILE QD1 . 17109 1 1369 . 1 1 137 137 ILE HG12 H 1 1.277 0.000 . 2 . . . . 137 ILE HG12 . 17109 1 1370 . 1 1 137 137 ILE HG21 H 1 0.048 0.000 . . . . . . 137 ILE QG2 . 17109 1 1371 . 1 1 137 137 ILE HG22 H 1 0.048 0.000 . . . . . . 137 ILE QG2 . 17109 1 1372 . 1 1 137 137 ILE HG23 H 1 0.048 0.000 . . . . . . 137 ILE QG2 . 17109 1 1373 . 1 1 137 137 ILE C C 13 13.524 0.000 . 1 . . . . 137 ILE C . 17109 1 1374 . 1 1 137 137 ILE CA C 13 59.873 0.000 . 1 . . . . 137 ILE CA . 17109 1 1375 . 1 1 137 137 ILE CB C 13 40.767 0.000 . 1 . . . . 137 ILE CB . 17109 1 1376 . 1 1 137 137 ILE CD1 C 13 15.136 0.000 . 1 . . . . 137 ILE CD1 . 17109 1 1377 . 1 1 137 137 ILE CG1 C 13 27.215 0.000 . 1 . . . . 137 ILE CG1 . 17109 1 1378 . 1 1 137 137 ILE N N 15 123.623 0.000 . 1 . . . . 137 ILE N . 17109 1 1379 . 1 1 138 138 GLU H H 1 9.159 0.000 . 1 . . . . 138 GLU H . 17109 1 1380 . 1 1 138 138 GLU HA H 1 5.219 0.000 . 1 . . . . 138 GLU HA . 17109 1 1381 . 1 1 138 138 GLU HB2 H 1 2.171 0.000 . 2 . . . . 138 GLU HB2 . 17109 1 1382 . 1 1 138 138 GLU HG2 H 1 1.803 0.000 . 2 . . . . 138 GLU HG2 . 17109 1 1383 . 1 1 138 138 GLU C C 13 15.383 0.000 . 1 . . . . 138 GLU C . 17109 1 1384 . 1 1 138 138 GLU CA C 13 54.895 0.000 . 1 . . . . 138 GLU CA . 17109 1 1385 . 1 1 138 138 GLU CB C 13 33.904 0.000 . 1 . . . . 138 GLU CB . 17109 1 1386 . 1 1 138 138 GLU CG C 13 38.315 0.000 . 1 . . . . 138 GLU CG . 17109 1 1387 . 1 1 138 138 GLU N N 15 126.853 0.000 . 1 . . . . 138 GLU N . 17109 1 1388 . 1 1 139 139 ALA H H 1 10.313 0.000 . 1 . . . . 139 ALA H . 17109 1 1389 . 1 1 139 139 ALA HA H 1 5.231 0.000 . 1 . . . . 139 ALA HA . 17109 1 1390 . 1 1 139 139 ALA HB1 H 1 1.201 0.000 . . . . . . 139 ALA QB . 17109 1 1391 . 1 1 139 139 ALA HB2 H 1 1.201 0.000 . . . . . . 139 ALA QB . 17109 1 1392 . 1 1 139 139 ALA HB3 H 1 1.201 0.000 . . . . . . 139 ALA QB . 17109 1 1393 . 1 1 139 139 ALA C C 13 13.789 0.000 . 1 . . . . 139 ALA C . 17109 1 1394 . 1 1 139 139 ALA CA C 13 50.197 0.000 . 1 . . . . 139 ALA CA . 17109 1 1395 . 1 1 139 139 ALA CB C 13 24.262 0.000 . 1 . . . . 139 ALA CB . 17109 1 1396 . 1 1 139 139 ALA N N 15 132.616 0.000 . 1 . . . . 139 ALA N . 17109 1 1397 . 1 1 140 140 LYS H H 1 8.498 0.000 . 1 . . . . 140 LYS H . 17109 1 1398 . 1 1 140 140 LYS HA H 1 5.062 0.000 . 1 . . . . 140 LYS HA . 17109 1 1399 . 1 1 140 140 LYS HB2 H 1 1.868 0.000 . 2 . . . . 140 LYS HB2 . 17109 1 1400 . 1 1 140 140 LYS HB3 H 1 1.745 0.000 . 2 . . . . 140 LYS HB3 . 17109 1 1401 . 1 1 140 140 LYS HD2 H 1 1.611 0.000 . 2 . . . . 140 LYS HD2 . 17109 1 1402 . 1 1 140 140 LYS HE2 H 1 2.880 0.000 . 2 . . . . 140 LYS HE2 . 17109 1 1403 . 1 1 140 140 LYS HG2 H 1 1.479 0.000 . 2 . . . . 140 LYS HG2 . 17109 1 1404 . 1 1 140 140 LYS HG3 H 1 1.375 0.000 . 2 . . . . 140 LYS HG3 . 17109 1 1405 . 1 1 140 140 LYS C C 13 15.807 0.000 . 1 . . . . 140 LYS C . 17109 1 1406 . 1 1 140 140 LYS CA C 13 54.250 0.000 . 1 . . . . 140 LYS CA . 17109 1 1407 . 1 1 140 140 LYS CB C 13 34.937 0.000 . 1 . . . . 140 LYS CB . 17109 1 1408 . 1 1 140 140 LYS CD C 13 28.930 0.000 . 1 . . . . 140 LYS CD . 17109 1 1409 . 1 1 140 140 LYS CE C 13 41.488 0.000 . 1 . . . . 140 LYS CE . 17109 1 1410 . 1 1 140 140 LYS CG C 13 24.286 0.000 . 1 . . . . 140 LYS CG . 17109 1 1411 . 1 1 140 140 LYS N N 15 120.511 0.000 . 1 . . . . 140 LYS N . 17109 1 1412 . 1 1 141 141 LEU H H 1 7.554 0.000 . 1 . . . . 141 LEU H . 17109 1 1413 . 1 1 141 141 LEU HA H 1 4.107 0.000 . 1 . . . . 141 LEU HA . 17109 1 1414 . 1 1 141 141 LEU HB2 H 1 1.848 0.000 . 2 . . . . 141 LEU HB2 . 17109 1 1415 . 1 1 141 141 LEU HB3 H 1 1.415 0.000 . 2 . . . . 141 LEU HB3 . 17109 1 1416 . 1 1 141 141 LEU HD11 H 1 0.914 0.000 . . . . . . 141 LEU QD1 . 17109 1 1417 . 1 1 141 141 LEU HD12 H 1 0.914 0.000 . . . . . . 141 LEU QD1 . 17109 1 1418 . 1 1 141 141 LEU HD13 H 1 0.914 0.000 . . . . . . 141 LEU QD1 . 17109 1 1419 . 1 1 141 141 LEU HD21 H 1 0.645 0.000 . . . . . . 141 LEU QD2 . 17109 1 1420 . 1 1 141 141 LEU HD22 H 1 0.645 0.000 . . . . . . 141 LEU QD2 . 17109 1 1421 . 1 1 141 141 LEU HD23 H 1 0.645 0.000 . . . . . . 141 LEU QD2 . 17109 1 1422 . 1 1 141 141 LEU HG H 1 2.231 0.000 . 1 . . . . 141 LEU HG . 17109 1 1423 . 1 1 141 141 LEU C C 13 17.236 0.000 . 1 . . . . 141 LEU C . 17109 1 1424 . 1 1 141 141 LEU CA C 13 56.169 0.000 . 1 . . . . 141 LEU CA . 17109 1 1425 . 1 1 141 141 LEU CB C 13 42.408 0.000 . 1 . . . . 141 LEU CB . 17109 1 1426 . 1 1 141 141 LEU CD1 C 13 26.133 0.000 . 2 . . . . 141 LEU CD1 . 17109 1 1427 . 1 1 141 141 LEU CD2 C 13 23.646 0.000 . 2 . . . . 141 LEU CD2 . 17109 1 1428 . 1 1 141 141 LEU CG C 13 28.354 0.000 . 1 . . . . 141 LEU CG . 17109 1 1429 . 1 1 141 141 LEU N N 15 126.406 0.000 . 1 . . . . 141 LEU N . 17109 1 1430 . 1 1 142 142 THR H H 1 9.562 0.000 . 1 . . . . 142 THR H . 17109 1 1431 . 1 1 142 142 THR HA H 1 4.552 0.000 . 1 . . . . 142 THR HA . 17109 1 1432 . 1 1 142 142 THR HB H 1 4.259 0.000 . 1 . . . . 142 THR HB . 17109 1 1433 . 1 1 142 142 THR HG21 H 1 1.148 0.000 . . . . . . 142 THR QG2 . 17109 1 1434 . 1 1 142 142 THR HG22 H 1 1.148 0.000 . . . . . . 142 THR QG2 . 17109 1 1435 . 1 1 142 142 THR HG23 H 1 1.148 0.000 . . . . . . 142 THR QG2 . 17109 1 1436 . 1 1 142 142 THR C C 13 15.187 0.000 . 1 . . . . 142 THR C . 17109 1 1437 . 1 1 142 142 THR CA C 13 60.915 0.000 . 1 . . . . 142 THR CA . 17109 1 1438 . 1 1 142 142 THR CB C 13 69.490 0.000 . 1 . . . . 142 THR CB . 17109 1 1439 . 1 1 142 142 THR CG2 C 13 22.349 0.000 . 1 . . . . 142 THR CG2 . 17109 1 1440 . 1 1 142 142 THR N N 15 119.300 0.000 . 1 . . . . 142 THR N . 17109 1 1441 . 1 1 143 143 GLY H H 1 7.520 0.000 . 1 . . . . 143 GLY H . 17109 1 1442 . 1 1 143 143 GLY HA2 H 1 4.010 0.000 . 2 . . . . 143 GLY HA2 . 17109 1 1443 . 1 1 143 143 GLY HA3 H 1 3.966 0.000 . 2 . . . . 143 GLY HA3 . 17109 1 1444 . 1 1 143 143 GLY C C 13 10.713 0.000 . 1 . . . . 143 GLY C . 17109 1 1445 . 1 1 143 143 GLY CA C 13 45.254 0.000 . 1 . . . . 143 GLY CA . 17109 1 1446 . 1 1 143 143 GLY N N 15 109.946 0.000 . 1 . . . . 143 GLY N . 17109 1 1447 . 1 1 144 144 SER H H 1 7.896 0.000 . 1 . . . . 144 SER H . 17109 1 1448 . 1 1 144 144 SER HA H 1 5.059 0.000 . 1 . . . . 144 SER HA . 17109 1 1449 . 1 1 144 144 SER HB2 H 1 3.544 0.000 . 2 . . . . 144 SER HB2 . 17109 1 1450 . 1 1 144 144 SER HB3 H 1 3.172 0.000 . 2 . . . . 144 SER HB3 . 17109 1 1451 . 1 1 144 144 SER C C 13 13.178 0.000 . 1 . . . . 144 SER C . 17109 1 1452 . 1 1 144 144 SER CA C 13 56.393 0.000 . 1 . . . . 144 SER CA . 17109 1 1453 . 1 1 144 144 SER CB C 13 65.587 0.000 . 1 . . . . 144 SER CB . 17109 1 1454 . 1 1 144 144 SER N N 15 112.778 0.000 . 1 . . . . 144 SER N . 17109 1 1455 . 1 1 145 145 TYR H H 1 8.383 0.000 . 1 . . . . 145 TYR H . 17109 1 1456 . 1 1 145 145 TYR HA H 1 4.755 0.000 . 1 . . . . 145 TYR HA . 17109 1 1457 . 1 1 145 145 TYR HB2 H 1 3.062 0.000 . 2 . . . . 145 TYR HB2 . 17109 1 1458 . 1 1 145 145 TYR HB3 H 1 2.815 0.000 . 2 . . . . 145 TYR HB3 . 17109 1 1459 . 1 1 145 145 TYR HD1 H 1 6.891 0.000 . 3 . . . . 145 TYR QD . 17109 1 1460 . 1 1 145 145 TYR HD2 H 1 6.891 0.000 . 3 . . . . 145 TYR QD . 17109 1 1461 . 1 1 145 145 TYR HE1 H 1 6.645 0.000 . 3 . . . . 145 TYR QE . 17109 1 1462 . 1 1 145 145 TYR HE2 H 1 6.645 0.000 . 3 . . . . 145 TYR QE . 17109 1 1463 . 1 1 145 145 TYR C C 13 14.580 0.000 . 1 . . . . 145 TYR C . 17109 1 1464 . 1 1 145 145 TYR CA C 13 56.413 0.000 . 1 . . . . 145 TYR CA . 17109 1 1465 . 1 1 145 145 TYR CB C 13 40.096 0.000 . 1 . . . . 145 TYR CB . 17109 1 1466 . 1 1 145 145 TYR CD1 C 13 136.380 0.000 . 3 . . . . 145 TYR CD1 . 17109 1 1467 . 1 1 145 145 TYR CE1 C 13 107.907 0.000 . 3 . . . . 145 TYR CE1 . 17109 1 1468 . 1 1 145 145 TYR N N 15 119.351 0.000 . 1 . . . . 145 TYR N . 17109 1 1469 . 1 1 146 146 SER H H 1 8.461 0.000 . 1 . . . . 146 SER H . 17109 1 1470 . 1 1 146 146 SER HA H 1 4.564 0.000 . 1 . . . . 146 SER HA . 17109 1 1471 . 1 1 146 146 SER HB2 H 1 3.835 0.000 . 2 . . . . 146 SER HB2 . 17109 1 1472 . 1 1 146 146 SER HB3 H 1 3.792 0.000 . 2 . . . . 146 SER HB3 . 17109 1 1473 . 1 1 146 146 SER CA C 13 58.000 0.000 . 1 . . . . 146 SER CA . 17109 1 1474 . 1 1 146 146 SER CB C 13 63.905 0.000 . 1 . . . . 146 SER CB . 17109 1 1475 . 1 1 146 146 SER N N 15 117.144 0.000 . 1 . . . . 146 SER N . 17109 1 1476 . 1 1 147 147 LYS H H 1 7.964 0.000 . 1 . . . . 147 LYS H . 17109 1 1477 . 1 1 147 147 LYS HA H 1 4.088 0.000 . 1 . . . . 147 LYS HA . 17109 1 1478 . 1 1 147 147 LYS HB2 H 1 1.746 0.000 . 2 . . . . 147 LYS HB2 . 17109 1 1479 . 1 1 147 147 LYS HB3 H 1 1.585 0.000 . 2 . . . . 147 LYS HB3 . 17109 1 1480 . 1 1 147 147 LYS C C 13 18.496 0.000 . 1 . . . . 147 LYS C . 17109 1 1481 . 1 1 147 147 LYS CA C 13 57.693 0.000 . 1 . . . . 147 LYS CA . 17109 1 1482 . 1 1 147 147 LYS CB C 13 32.915 0.000 . 1 . . . . 147 LYS CB . 17109 1 1483 . 1 1 147 147 LYS N N 15 128.709 0.000 . 1 . . . . 147 LYS N . 17109 1 stop_ save_