data_16811 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16811 _Entry.Title ; Solution Structure of Bacillus anthracis Sortase A (SrtA) Transpeptidase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date . _Entry.Original_release_date . _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 . _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 Ethan Weiner . M. . 16811 2 Scott Robson . A. . 16811 3 Melanie Marohn . . . 16811 4 Robert Clubb . T. . 16811 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 . 'not applicable' 'not applicable' . 16811 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Sortase . 16811 SrtA . 16811 transpeptidase . 16811 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16811 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 592 16811 '15N chemical shifts' 146 16811 '1H chemical shifts' 962 16811 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 2 . . 2010-08-12 2010-03-31 update BMRB 'Complete entry citation' 16811 1 . . 2010-05-28 2010-03-31 original author 'original release' 16811 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KW8 'BMRB Entry Tracking System' 16811 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16811 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20489200 _Citation.Full_citation . _Citation.Title 'The Sortase A enzyme that attaches proteins to the cell wall of Bacillus anthracis contains an unusual active site architecture.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 30 _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 23433 _Citation.Page_last 23443 _Citation.Year 2010 _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 Ethan Weiner . M. . 16811 1 2 Scott Robson . . . 16811 1 3 Melanie Marohn . . . 16811 1 4 Robert Clubb . T. . 16811 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Sortase 16811 1 SrtA 16811 1 transpeptidase 16811 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16811 _Assembly.ID 1 _Assembly.Name SrtA _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 SrtA 1 $SrtA A . yes native no no . . . 16811 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SrtA _Entity.Sf_category entity _Entity.Sf_framecode SrtA _Entity.Entry_ID 16811 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SrtA _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 ; GSHMDASKIDQPDLAEVANA SLDKKQVIGRISIPSVSLEL PVLKSSTEKNLLSGAATVKE NQVMGKGNYALAGHNMSKKG VLFSDIASLKKGDKIYLYDN ENEYEYAVTGVSEVTPDKWE VVEDHGKDEITLITCVSVKD NSKRYVVAGDLVGTKAKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 52-56 represent a non-native affinity tag' _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 158 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17110.521 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11570 . BaSrtA . . . . . 100.00 158 100.00 100.00 4.29e-108 . . . . 16811 1 2 no BMRB 26510 . Ba-SrtA . . . . . 98.73 210 98.72 99.36 4.87e-104 . . . . 16811 1 3 no PDB 2KW8 . "Solution Structure Of Bacillus Anthracis Sortase A (Srta) Transpeptidase" . . . . . 100.00 158 100.00 100.00 4.29e-108 . . . . 16811 1 4 no PDB 2RUI . "Solution Structure Of The Bacillus Anthracis Sortase A-substrate Complex" . . . . . 100.00 158 100.00 100.00 4.29e-108 . . . . 16811 1 5 no DBJ BAL16456 . "LPXTG-site transpeptidase family protein [Bacillus cereus NC7401]" . . . . . 98.73 210 98.08 99.36 2.15e-103 . . . . 16811 1 6 no DBJ BAR78533 . "putative cysteine protease ywpE [Bacillus anthracis]" . . . . . 98.73 233 98.72 99.36 7.55e-104 . . . . 16811 1 7 no DBJ GAE96182 . "sortase A, LPXTG specific [Bacillus anthracis CZC5]" . . . . . 98.73 210 98.72 99.36 4.87e-104 . . . . 16811 1 8 no DBJ GAO57723 . "LPXTG-site transpeptidase [Bacillus anthracis]" . . . . . 98.73 210 98.72 99.36 4.87e-104 . . . . 16811 1 9 no DBJ GAO63420 . "LPXTG-site transpeptidase [Bacillus anthracis]" . . . . . 98.73 210 98.72 99.36 4.87e-104 . . . . 16811 1 10 no EMBL CJA38300 . "sortase [Streptococcus pneumoniae]" . . . . . 98.10 191 97.42 100.00 1.75e-102 . . . . 16811 1 11 no EMBL CJJ39486 . "sortase [Streptococcus pneumoniae]" . . . . . 60.13 95 100.00 100.00 1.59e-60 . . . . 16811 1 12 no EMBL CKE38654 . "sortase [Streptococcus pneumoniae]" . . . . . 98.73 210 98.08 99.36 2.15e-103 . . . . 16811 1 13 no EMBL CKE81514 . "sortase [Streptococcus pneumoniae]" . . . . . 98.73 210 98.08 99.36 2.15e-103 . . . . 16811 1 14 no EMBL CKE96545 . "sortase [Streptococcus pneumoniae]" . . . . . 98.73 210 98.08 99.36 2.15e-103 . . . . 16811 1 15 no GB AAP24701 . "LPXTG-site transpeptidase family protein [Bacillus anthracis str. Ames]" . . . . . 98.73 233 98.72 99.36 7.55e-104 . . . . 16811 1 16 no GB AAS39688 . "LPXTG-site transpeptidase family protein [Bacillus cereus ATCC 10987]" . . . . . 98.73 210 98.08 99.36 2.15e-103 . . . . 16811 1 17 no GB AAT29792 . "LPXTG-site transpeptidase family protein [Bacillus anthracis str. 'Ames Ancestor']" . . . . . 98.73 233 98.72 99.36 7.55e-104 . . . . 16811 1 18 no GB AAT52982 . "LPXTG-site transpeptidase family protein [Bacillus anthracis str. Sterne]" . . . . . 98.73 210 98.72 99.36 4.87e-104 . . . . 16811 1 19 no GB AAU19641 . "probable sortase family protein [Bacillus cereus E33L]" . . . . . 98.73 210 97.44 99.36 6.47e-103 . . . . 16811 1 20 no REF NP_843215 . "LPXTG family transpeptidase [Bacillus anthracis str. Ames]" . . . . . 98.73 233 98.72 99.36 7.55e-104 . . . . 16811 1 21 no REF WP_001041406 . "sortase [Bacillus cereus]" . . . . . 98.73 210 97.44 99.36 5.68e-103 . . . . 16811 1 22 no REF WP_001041710 . "sortase [Bacillus cereus]" . . . . . 98.73 210 97.44 99.36 4.93e-103 . . . . 16811 1 23 no REF WP_001041711 . "sortase [Bacillus cereus]" . . . . . 98.73 210 97.44 98.72 8.98e-103 . . . . 16811 1 24 no REF WP_001041715 . "MULTISPECIES: sortase [Bacillus cereus group]" . . . . . 98.73 210 97.44 99.36 5.15e-103 . . . . 16811 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 . 16811 1 2 . SER . 16811 1 3 . HIS . 16811 1 4 . MET . 16811 1 5 . ASP . 16811 1 6 . ALA . 16811 1 7 . SER . 16811 1 8 . LYS . 16811 1 9 . ILE . 16811 1 10 . ASP . 16811 1 11 . GLN . 16811 1 12 . PRO . 16811 1 13 . ASP . 16811 1 14 . LEU . 16811 1 15 . ALA . 16811 1 16 . GLU . 16811 1 17 . VAL . 16811 1 18 . ALA . 16811 1 19 . ASN . 16811 1 20 . ALA . 16811 1 21 . SER . 16811 1 22 . LEU . 16811 1 23 . ASP . 16811 1 24 . LYS . 16811 1 25 . LYS . 16811 1 26 . GLN . 16811 1 27 . VAL . 16811 1 28 . ILE . 16811 1 29 . GLY . 16811 1 30 . ARG . 16811 1 31 . ILE . 16811 1 32 . SER . 16811 1 33 . ILE . 16811 1 34 . PRO . 16811 1 35 . SER . 16811 1 36 . VAL . 16811 1 37 . SER . 16811 1 38 . LEU . 16811 1 39 . GLU . 16811 1 40 . LEU . 16811 1 41 . PRO . 16811 1 42 . VAL . 16811 1 43 . LEU . 16811 1 44 . LYS . 16811 1 45 . SER . 16811 1 46 . SER . 16811 1 47 . THR . 16811 1 48 . GLU . 16811 1 49 . LYS . 16811 1 50 . ASN . 16811 1 51 . LEU . 16811 1 52 . LEU . 16811 1 53 . SER . 16811 1 54 . GLY . 16811 1 55 . ALA . 16811 1 56 . ALA . 16811 1 57 . THR . 16811 1 58 . VAL . 16811 1 59 . LYS . 16811 1 60 . GLU . 16811 1 61 . ASN . 16811 1 62 . GLN . 16811 1 63 . VAL . 16811 1 64 . MET . 16811 1 65 . GLY . 16811 1 66 . LYS . 16811 1 67 . GLY . 16811 1 68 . ASN . 16811 1 69 . TYR . 16811 1 70 . ALA . 16811 1 71 . LEU . 16811 1 72 . ALA . 16811 1 73 . GLY . 16811 1 74 . HIS . 16811 1 75 . ASN . 16811 1 76 . MET . 16811 1 77 . SER . 16811 1 78 . LYS . 16811 1 79 . LYS . 16811 1 80 . GLY . 16811 1 81 . VAL . 16811 1 82 . LEU . 16811 1 83 . PHE . 16811 1 84 . SER . 16811 1 85 . ASP . 16811 1 86 . ILE . 16811 1 87 . ALA . 16811 1 88 . SER . 16811 1 89 . LEU . 16811 1 90 . LYS . 16811 1 91 . LYS . 16811 1 92 . GLY . 16811 1 93 . ASP . 16811 1 94 . LYS . 16811 1 95 . ILE . 16811 1 96 . TYR . 16811 1 97 . LEU . 16811 1 98 . TYR . 16811 1 99 . ASP . 16811 1 100 . ASN . 16811 1 101 . GLU . 16811 1 102 . ASN . 16811 1 103 . GLU . 16811 1 104 . TYR . 16811 1 105 . GLU . 16811 1 106 . TYR . 16811 1 107 . ALA . 16811 1 108 . VAL . 16811 1 109 . THR . 16811 1 110 . GLY . 16811 1 111 . VAL . 16811 1 112 . SER . 16811 1 113 . GLU . 16811 1 114 . VAL . 16811 1 115 . THR . 16811 1 116 . PRO . 16811 1 117 . ASP . 16811 1 118 . LYS . 16811 1 119 . TRP . 16811 1 120 . GLU . 16811 1 121 . VAL . 16811 1 122 . VAL . 16811 1 123 . GLU . 16811 1 124 . ASP . 16811 1 125 . HIS . 16811 1 126 . GLY . 16811 1 127 . LYS . 16811 1 128 . ASP . 16811 1 129 . GLU . 16811 1 130 . ILE . 16811 1 131 . THR . 16811 1 132 . LEU . 16811 1 133 . ILE . 16811 1 134 . THR . 16811 1 135 . CYS . 16811 1 136 . VAL . 16811 1 137 . SER . 16811 1 138 . VAL . 16811 1 139 . LYS . 16811 1 140 . ASP . 16811 1 141 . ASN . 16811 1 142 . SER . 16811 1 143 . LYS . 16811 1 144 . ARG . 16811 1 145 . TYR . 16811 1 146 . VAL . 16811 1 147 . VAL . 16811 1 148 . ALA . 16811 1 149 . GLY . 16811 1 150 . ASP . 16811 1 151 . LEU . 16811 1 152 . VAL . 16811 1 153 . GLY . 16811 1 154 . THR . 16811 1 155 . LYS . 16811 1 156 . ALA . 16811 1 157 . LYS . 16811 1 158 . LYS . 16811 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 16811 1 . SER 2 2 16811 1 . HIS 3 3 16811 1 . MET 4 4 16811 1 . ASP 5 5 16811 1 . ALA 6 6 16811 1 . SER 7 7 16811 1 . LYS 8 8 16811 1 . ILE 9 9 16811 1 . ASP 10 10 16811 1 . GLN 11 11 16811 1 . PRO 12 12 16811 1 . ASP 13 13 16811 1 . LEU 14 14 16811 1 . ALA 15 15 16811 1 . GLU 16 16 16811 1 . VAL 17 17 16811 1 . ALA 18 18 16811 1 . ASN 19 19 16811 1 . ALA 20 20 16811 1 . SER 21 21 16811 1 . LEU 22 22 16811 1 . ASP 23 23 16811 1 . LYS 24 24 16811 1 . LYS 25 25 16811 1 . GLN 26 26 16811 1 . VAL 27 27 16811 1 . ILE 28 28 16811 1 . GLY 29 29 16811 1 . ARG 30 30 16811 1 . ILE 31 31 16811 1 . SER 32 32 16811 1 . ILE 33 33 16811 1 . PRO 34 34 16811 1 . SER 35 35 16811 1 . VAL 36 36 16811 1 . SER 37 37 16811 1 . LEU 38 38 16811 1 . GLU 39 39 16811 1 . LEU 40 40 16811 1 . PRO 41 41 16811 1 . VAL 42 42 16811 1 . LEU 43 43 16811 1 . LYS 44 44 16811 1 . SER 45 45 16811 1 . SER 46 46 16811 1 . THR 47 47 16811 1 . GLU 48 48 16811 1 . LYS 49 49 16811 1 . ASN 50 50 16811 1 . LEU 51 51 16811 1 . LEU 52 52 16811 1 . SER 53 53 16811 1 . GLY 54 54 16811 1 . ALA 55 55 16811 1 . ALA 56 56 16811 1 . THR 57 57 16811 1 . VAL 58 58 16811 1 . LYS 59 59 16811 1 . GLU 60 60 16811 1 . ASN 61 61 16811 1 . GLN 62 62 16811 1 . VAL 63 63 16811 1 . MET 64 64 16811 1 . GLY 65 65 16811 1 . LYS 66 66 16811 1 . GLY 67 67 16811 1 . ASN 68 68 16811 1 . TYR 69 69 16811 1 . ALA 70 70 16811 1 . LEU 71 71 16811 1 . ALA 72 72 16811 1 . GLY 73 73 16811 1 . HIS 74 74 16811 1 . ASN 75 75 16811 1 . MET 76 76 16811 1 . SER 77 77 16811 1 . LYS 78 78 16811 1 . LYS 79 79 16811 1 . GLY 80 80 16811 1 . VAL 81 81 16811 1 . LEU 82 82 16811 1 . PHE 83 83 16811 1 . SER 84 84 16811 1 . ASP 85 85 16811 1 . ILE 86 86 16811 1 . ALA 87 87 16811 1 . SER 88 88 16811 1 . LEU 89 89 16811 1 . LYS 90 90 16811 1 . LYS 91 91 16811 1 . GLY 92 92 16811 1 . ASP 93 93 16811 1 . LYS 94 94 16811 1 . ILE 95 95 16811 1 . TYR 96 96 16811 1 . LEU 97 97 16811 1 . TYR 98 98 16811 1 . ASP 99 99 16811 1 . ASN 100 100 16811 1 . GLU 101 101 16811 1 . ASN 102 102 16811 1 . GLU 103 103 16811 1 . TYR 104 104 16811 1 . GLU 105 105 16811 1 . TYR 106 106 16811 1 . ALA 107 107 16811 1 . VAL 108 108 16811 1 . THR 109 109 16811 1 . GLY 110 110 16811 1 . VAL 111 111 16811 1 . SER 112 112 16811 1 . GLU 113 113 16811 1 . VAL 114 114 16811 1 . THR 115 115 16811 1 . PRO 116 116 16811 1 . ASP 117 117 16811 1 . LYS 118 118 16811 1 . TRP 119 119 16811 1 . GLU 120 120 16811 1 . VAL 121 121 16811 1 . VAL 122 122 16811 1 . GLU 123 123 16811 1 . ASP 124 124 16811 1 . HIS 125 125 16811 1 . GLY 126 126 16811 1 . LYS 127 127 16811 1 . ASP 128 128 16811 1 . GLU 129 129 16811 1 . ILE 130 130 16811 1 . THR 131 131 16811 1 . LEU 132 132 16811 1 . ILE 133 133 16811 1 . THR 134 134 16811 1 . CYS 135 135 16811 1 . VAL 136 136 16811 1 . SER 137 137 16811 1 . VAL 138 138 16811 1 . LYS 139 139 16811 1 . ASP 140 140 16811 1 . ASN 141 141 16811 1 . SER 142 142 16811 1 . LYS 143 143 16811 1 . ARG 144 144 16811 1 . TYR 145 145 16811 1 . VAL 146 146 16811 1 . VAL 147 147 16811 1 . ALA 148 148 16811 1 . GLY 149 149 16811 1 . ASP 150 150 16811 1 . LEU 151 151 16811 1 . VAL 152 152 16811 1 . GLY 153 153 16811 1 . THR 154 154 16811 1 . LYS 155 155 16811 1 . ALA 156 156 16811 1 . LYS 157 157 16811 1 . LYS 158 158 16811 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 16811 _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 $SrtA . 1392 organism . 'Bacillus anthracis' 'Bacillus anthracis' . . Bacteria . Bacillus anthracis . . . . . . . . . . . . . . . . . . . . . 16811 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 16811 _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 $SrtA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 16811 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16811 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 SrtA '[U-100% 15N]' . . 1 $SrtA . . 4 . . mM . . . . 16811 1 2 MES 'natural abundance' . . . . . . 10 . . mM . . . . 16811 1 3 Bis-Tris 'natural abundance' . . . . . . 20 . . mM . . . . 16811 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16811 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16811 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16811 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 SrtA '[U-100% 13C; U-100% 15N]' . . 1 $SrtA . . 2.5 . . mM . . . . 16811 2 2 MES 'natural abundance' . . . . . . 10 . . mM . . . . 16811 2 3 Bis-Tris 'natural abundance' . . . . . . 20 . . mM . . . . 16811 2 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16811 2 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16811 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16811 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 SrtA '[U-100% 13C; U-100% 15N]' . . 1 $SrtA . . 2.5 . . mM . . . . 16811 3 2 MES 'natural abundance' . . . . . . 10 . . mM . . . . 16811 3 3 Bis-Tris 'natural abundance' . . . . . . 20 . . mM . . . . 16811 3 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16811 3 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16811 3 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 16811 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'For determination of pKa's, pH was varied from 4.5 to 10.0' 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 pH 6.0 . pH 16811 1 pressure 1 . atm 16811 1 temperature 298 . K 16811 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16811 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16811 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16811 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 16811 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 16811 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16811 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16811 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16811 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16811 3 stop_ save_ save_Atnos_CANDID _Software.Sf_category software _Software.Sf_framecode Atnos_CANDID _Software.Entry_ID 16811 _Software.ID 4 _Software.Name ATHNOS-CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert, Wuthrich' . . 16811 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16811 4 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 16811 _Software.ID 5 _Software.Name ModelFree _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 16811 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16811 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16811 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16811 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16811 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16811 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16811 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16811 7 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16811 _Software.ID 8 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16811 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16811 8 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16811 _Software.ID 9 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Keller . . 16811 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16811 9 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 16811 _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 16811 _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 16811 _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 16811 _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 . . . 16811 1 2 spectrometer_2 Bruker Avance . 600 . . . 16811 1 3 spectrometer_3 Bruker Avance . 800 . . . 16811 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 16811 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 5 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 11 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 14 '3D HNHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 15 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 16 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 17 '4D 15N-13C HMQC-NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 18 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 19 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 20 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 1 21 '2D 1H-15N HSQC NOE with interleaved presat and no sat' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16811 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 16811 _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 . . . . . . . . . 16811 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16811 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16811 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 16811 _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 'Residue numbers are offset from original SrtA sequence by 52 residues' _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 4 '3D CBCA(CO)NH' . . . 16811 1 5 '3D C(CO)NH' . . . 16811 1 6 '3D HNCO' . . . 16811 1 7 '3D HNCA' . . . 16811 1 8 '3D HNCACB' . . . 16811 1 9 '3D HBHA(CO)NH' . . . 16811 1 10 '3D HCCH-TOCSY' . . . 16811 1 11 '3D HNHA' . . . 16811 1 14 '3D HNHB' . . . 16811 1 15 '3D HCCH-COSY' . . . 16811 1 16 '3D HCACO' . . . 16811 1 18 '2D (HB)CB(CGCDCE)HE' . . . 16811 1 19 '2D (HB)CB(CGCD)HD' . . . 16811 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 4 4 MET H H 1 8.2300 0.01 . 1 . . . . 4 MET HN . 16811 1 2 . 1 1 4 4 MET HA H 1 4.3900 0.01 . 1 . . . . 4 MET HA . 16811 1 3 . 1 1 4 4 MET HB2 H 1 2.0200 0.01 . 2 . . . . 4 MET HB1 . 16811 1 4 . 1 1 4 4 MET HB3 H 1 1.9100 0.01 . 2 . . . . 4 MET HB2 . 16811 1 5 . 1 1 4 4 MET HE1 H 1 1.9200 0.01 . 2 . . . . 4 MET HE# . 16811 1 6 . 1 1 4 4 MET HE2 H 1 1.9200 0.01 . 2 . . . . 4 MET HE# . 16811 1 7 . 1 1 4 4 MET HE3 H 1 1.9200 0.01 . 2 . . . . 4 MET HE# . 16811 1 8 . 1 1 4 4 MET HG2 H 1 2.4700 0.01 . 2 . . . . 4 MET HG1 . 16811 1 9 . 1 1 4 4 MET HG3 H 1 2.3900 0.01 . 2 . . . . 4 MET HG2 . 16811 1 10 . 1 1 4 4 MET C C 13 175.6900 0.25 . 1 . . . . 4 MET C . 16811 1 11 . 1 1 4 4 MET CA C 13 55.3400 0.25 . 1 . . . . 4 MET CA . 16811 1 12 . 1 1 4 4 MET CB C 13 32.4700 0.25 . 1 . . . . 4 MET CB . 16811 1 13 . 1 1 4 4 MET CE C 13 16.9900 0.25 . 1 . . . . 4 MET CE . 16811 1 14 . 1 1 4 4 MET CG C 13 31.7000 0.25 . 1 . . . . 4 MET CG . 16811 1 15 . 1 1 4 4 MET N N 15 120.5400 0.13 . 1 . . . . 4 MET N . 16811 1 16 . 1 1 5 5 ASP H H 1 8.2000 0.01 . 1 . . . . 5 ASP HN . 16811 1 17 . 1 1 5 5 ASP HA H 1 4.4700 0.01 . 1 . . . . 5 ASP HA . 16811 1 18 . 1 1 5 5 ASP HB2 H 1 2.6600 0.01 . 2 . . . . 5 ASP HB1 . 16811 1 19 . 1 1 5 5 ASP HB3 H 1 1.7900 0.01 . 2 . . . . 5 ASP HB2 . 16811 1 20 . 1 1 5 5 ASP C C 13 176.0900 0.25 . 1 . . . . 5 ASP C . 16811 1 21 . 1 1 5 5 ASP CA C 13 53.9200 0.25 . 1 . . . . 5 ASP CA . 16811 1 22 . 1 1 5 5 ASP CB C 13 40.4100 0.25 . 1 . . . . 5 ASP CB . 16811 1 23 . 1 1 5 5 ASP N N 15 121.4900 0.13 . 1 . . . . 5 ASP N . 16811 1 24 . 1 1 6 6 ALA H H 1 8.2000 0.01 . 1 . . . . 6 ALA HN . 16811 1 25 . 1 1 6 6 ALA HA H 1 4.2000 0.01 . 1 . . . . 6 ALA HA . 16811 1 26 . 1 1 6 6 ALA HB1 H 1 1.4020 0.01 . 2 . . . . 6 ALA HB# . 16811 1 27 . 1 1 6 6 ALA HB2 H 1 1.4020 0.01 . 2 . . . . 6 ALA HB# . 16811 1 28 . 1 1 6 6 ALA HB3 H 1 1.4020 0.01 . 2 . . . . 6 ALA HB# . 16811 1 29 . 1 1 6 6 ALA C C 13 177.3700 0.25 . 1 . . . . 6 ALA C . 16811 1 30 . 1 1 6 6 ALA CA C 13 52.8600 0.25 . 1 . . . . 6 ALA CA . 16811 1 31 . 1 1 6 6 ALA CB C 13 18.3900 0.25 . 1 . . . . 6 ALA CB . 16811 1 32 . 1 1 6 6 ALA N N 15 124.4300 0.13 . 1 . . . . 6 ALA N . 16811 1 33 . 1 1 7 7 SER H H 1 8.1300 0.01 . 1 . . . . 7 SER HN . 16811 1 34 . 1 1 7 7 SER HA H 1 4.2970 0.01 . 1 . . . . 7 SER HA . 16811 1 35 . 1 1 7 7 SER HB2 H 1 3.8890 0.01 . 2 . . . . 7 SER HB1 . 16811 1 36 . 1 1 7 7 SER HB3 H 1 3.6880 0.01 . 2 . . . . 7 SER HB2 . 16811 1 37 . 1 1 7 7 SER C C 13 174.1000 0.25 . 1 . . . . 7 SER C . 16811 1 38 . 1 1 7 7 SER CA C 13 58.6970 0.25 . 1 . . . . 7 SER CA . 16811 1 39 . 1 1 7 7 SER CB C 13 63.5410 0.25 . 1 . . . . 7 SER CB . 16811 1 40 . 1 1 7 7 SER N N 15 113.1200 0.13 . 1 . . . . 7 SER N . 16811 1 41 . 1 1 8 8 LYS H H 1 7.8300 0.01 . 1 . . . . 8 LYS HN . 16811 1 42 . 1 1 8 8 LYS HA H 1 4.4700 0.01 . 1 . . . . 8 LYS HA . 16811 1 43 . 1 1 8 8 LYS HB2 H 1 1.8020 0.01 . 2 . . . . 8 LYS HB1 . 16811 1 44 . 1 1 8 8 LYS HB3 H 1 1.6710 0.01 . 2 . . . . 8 LYS HB2 . 16811 1 45 . 1 1 8 8 LYS C C 13 175.4800 0.25 . 1 . . . . 8 LYS C . 16811 1 46 . 1 1 8 8 LYS CA C 13 55.2700 0.25 . 1 . . . . 8 LYS CA . 16811 1 47 . 1 1 8 8 LYS CB C 13 32.2700 0.25 . 1 . . . . 8 LYS CB . 16811 1 48 . 1 1 8 8 LYS N N 15 122.8900 0.13 . 1 . . . . 8 LYS N . 16811 1 49 . 1 1 9 9 ILE H H 1 7.8700 0.01 . 1 . . . . 9 ILE HN . 16811 1 50 . 1 1 9 9 ILE HA H 1 4.1750 0.01 . 1 . . . . 9 ILE HA . 16811 1 51 . 1 1 9 9 ILE HB H 1 1.7400 0.01 . 1 . . . . 9 ILE HB . 16811 1 52 . 1 1 9 9 ILE HD11 H 1 0.7500 0.01 . 2 . . . . 9 ILE HD1# . 16811 1 53 . 1 1 9 9 ILE HD12 H 1 0.7500 0.01 . 2 . . . . 9 ILE HD1# . 16811 1 54 . 1 1 9 9 ILE HD13 H 1 0.7500 0.01 . 2 . . . . 9 ILE HD1# . 16811 1 55 . 1 1 9 9 ILE HG12 H 1 1.3690 0.01 . 2 . . . . 9 ILE HG11 . 16811 1 56 . 1 1 9 9 ILE HG13 H 1 1.0720 0.01 . 2 . . . . 9 ILE HG12 . 16811 1 57 . 1 1 9 9 ILE HG21 H 1 0.9030 0.01 . 2 . . . . 9 ILE HG2# . 16811 1 58 . 1 1 9 9 ILE HG22 H 1 0.9030 0.01 . 2 . . . . 9 ILE HG2# . 16811 1 59 . 1 1 9 9 ILE HG23 H 1 0.9030 0.01 . 2 . . . . 9 ILE HG2# . 16811 1 60 . 1 1 9 9 ILE C C 13 174.9600 0.25 . 1 . . . . 9 ILE C . 16811 1 61 . 1 1 9 9 ILE CA C 13 60.1480 0.25 . 1 . . . . 9 ILE CA . 16811 1 62 . 1 1 9 9 ILE CB C 13 39.8100 0.25 . 1 . . . . 9 ILE CB . 16811 1 63 . 1 1 9 9 ILE CD1 C 13 13.1300 0.25 . 1 . . . . 9 ILE CD1 . 16811 1 64 . 1 1 9 9 ILE CG1 C 13 26.9880 0.25 . 1 . . . . 9 ILE CG1 . 16811 1 65 . 1 1 9 9 ILE CG2 C 13 17.5300 0.25 . 1 . . . . 9 ILE CG2 . 16811 1 66 . 1 1 9 9 ILE N N 15 122.1900 0.13 . 1 . . . . 9 ILE N . 16811 1 67 . 1 1 10 10 ASP H H 1 8.3950 0.01 . 1 . . . . 10 ASP HN . 16811 1 68 . 1 1 10 10 ASP HA H 1 4.4400 0.01 . 1 . . . . 10 ASP HA . 16811 1 69 . 1 1 10 10 ASP HB2 H 1 2.6460 0.01 . 2 . . . . 10 ASP HB1 . 16811 1 70 . 1 1 10 10 ASP HB3 H 1 2.5350 0.01 . 2 . . . . 10 ASP HB2 . 16811 1 71 . 1 1 10 10 ASP C C 13 175.4700 0.25 . 1 . . . . 10 ASP C . 16811 1 72 . 1 1 10 10 ASP CA C 13 54.5560 0.25 . 1 . . . . 10 ASP CA . 16811 1 73 . 1 1 10 10 ASP CB C 13 40.9300 0.25 . 1 . . . . 10 ASP CB . 16811 1 74 . 1 1 10 10 ASP N N 15 125.3580 0.13 . 1 . . . . 10 ASP N . 16811 1 75 . 1 1 11 11 GLN H H 1 8.0800 0.01 . 1 . . . . 11 GLN HN . 16811 1 76 . 1 1 11 11 GLN HA H 1 4.2500 0.01 . 1 . . . . 11 GLN HA . 16811 1 77 . 1 1 11 11 GLN HB2 H 1 1.9100 0.01 . 2 . . . . 11 GLN HB1 . 16811 1 78 . 1 1 11 11 GLN HB3 H 1 1.9790 0.01 . 2 . . . . 11 GLN HB2 . 16811 1 79 . 1 1 11 11 GLN HG2 H 1 2.3600 0.01 . 2 . . . . 11 GLN HG1 . 16811 1 80 . 1 1 11 11 GLN HG3 H 1 2.3100 0.01 . 2 . . . . 11 GLN HG2 . 16811 1 81 . 1 1 11 11 GLN CA C 13 53.6200 0.25 . 1 . . . . 11 GLN CA . 16811 1 82 . 1 1 11 11 GLN CB C 13 29.6200 0.25 . 1 . . . . 11 GLN CB . 16811 1 83 . 1 1 11 11 GLN CG C 13 32.0800 0.25 . 1 . . . . 11 GLN CG . 16811 1 84 . 1 1 11 11 GLN N N 15 120.7200 0.13 . 1 . . . . 11 GLN N . 16811 1 85 . 1 1 12 12 PRO HA H 1 4.4480 0.01 . 1 . . . . 12 PRO HA . 16811 1 86 . 1 1 12 12 PRO HB2 H 1 1.7040 0.01 . 2 . . . . 12 PRO HB1 . 16811 1 87 . 1 1 12 12 PRO HB3 H 1 2.0330 0.01 . 2 . . . . 12 PRO HB2 . 16811 1 88 . 1 1 12 12 PRO HD2 H 1 2.8990 0.01 . 2 . . . . 12 PRO HD1 . 16811 1 89 . 1 1 12 12 PRO HD3 H 1 3.1130 0.01 . 2 . . . . 12 PRO HD2 . 16811 1 90 . 1 1 12 12 PRO HG2 H 1 1.4050 0.01 . 2 . . . . 12 PRO HG2 . 16811 1 91 . 1 1 12 12 PRO CA C 13 62.2520 0.25 . 1 . . . . 12 PRO CA . 16811 1 92 . 1 1 12 12 PRO CB C 13 32.2900 0.25 . 1 . . . . 12 PRO CB . 16811 1 93 . 1 1 12 12 PRO CD C 13 49.8860 0.25 . 1 . . . . 12 PRO CD . 16811 1 94 . 1 1 12 12 PRO CG C 13 26.2910 0.25 . 1 . . . . 12 PRO CG . 16811 1 95 . 1 1 13 13 ASP H H 1 8.3500 0.01 . 1 . . . . 13 ASP HN . 16811 1 96 . 1 1 13 13 ASP HA H 1 4.5730 0.01 . 1 . . . . 13 ASP HA . 16811 1 97 . 1 1 13 13 ASP HB2 H 1 2.6160 0.01 . 2 . . . . 13 ASP HB1 . 16811 1 98 . 1 1 13 13 ASP HB3 H 1 2.6960 0.01 . 2 . . . . 13 ASP HB2 . 16811 1 99 . 1 1 13 13 ASP C C 13 177.1900 0.25 . 1 . . . . 13 ASP C . 16811 1 100 . 1 1 13 13 ASP CA C 13 53.3690 0.25 . 1 . . . . 13 ASP CA . 16811 1 101 . 1 1 13 13 ASP CB C 13 42.5400 0.25 . 1 . . . . 13 ASP CB . 16811 1 102 . 1 1 13 13 ASP N N 15 118.9800 0.13 . 1 . . . . 13 ASP N . 16811 1 103 . 1 1 14 14 LEU H H 1 8.3900 0.01 . 1 . . . . 14 LEU HN . 16811 1 104 . 1 1 14 14 LEU HA H 1 3.8680 0.01 . 1 . . . . 14 LEU HA . 16811 1 105 . 1 1 14 14 LEU HB2 H 1 1.5630 0.01 . 2 . . . . 14 LEU HB1 . 16811 1 106 . 1 1 14 14 LEU HB3 H 1 1.6310 0.01 . 2 . . . . 14 LEU HB2 . 16811 1 107 . 1 1 14 14 LEU HD11 H 1 0.8670 0.01 . 2 . . . . 14 LEU HD1# . 16811 1 108 . 1 1 14 14 LEU HD12 H 1 0.8670 0.01 . 2 . . . . 14 LEU HD1# . 16811 1 109 . 1 1 14 14 LEU HD13 H 1 0.8670 0.01 . 2 . . . . 14 LEU HD1# . 16811 1 110 . 1 1 14 14 LEU HG H 1 1.6870 0.01 . 1 . . . . 14 LEU HG . 16811 1 111 . 1 1 14 14 LEU C C 13 178.2100 0.25 . 1 . . . . 14 LEU C . 16811 1 112 . 1 1 14 14 LEU CA C 13 57.7760 0.25 . 1 . . . . 14 LEU CA . 16811 1 113 . 1 1 14 14 LEU CB C 13 41.7300 0.25 . 1 . . . . 14 LEU CB . 16811 1 114 . 1 1 14 14 LEU CD1 C 13 24.5700 0.25 . 2 . . . . 14 LEU CD1 . 16811 1 115 . 1 1 14 14 LEU CG C 13 27.2100 0.25 . 1 . . . . 14 LEU CG . 16811 1 116 . 1 1 14 14 LEU N N 15 123.5500 0.13 . 1 . . . . 14 LEU N . 16811 1 117 . 1 1 15 15 ALA H H 1 8.4800 0.01 . 1 . . . . 15 ALA HN . 16811 1 118 . 1 1 15 15 ALA HA H 1 4.1340 0.01 . 1 . . . . 15 ALA HA . 16811 1 119 . 1 1 15 15 ALA HB1 H 1 1.3980 0.01 . 2 . . . . 15 ALA HB# . 16811 1 120 . 1 1 15 15 ALA HB2 H 1 1.3980 0.01 . 2 . . . . 15 ALA HB# . 16811 1 121 . 1 1 15 15 ALA HB3 H 1 1.3980 0.01 . 2 . . . . 15 ALA HB# . 16811 1 122 . 1 1 15 15 ALA C C 13 179.3000 0.25 . 1 . . . . 15 ALA C . 16811 1 123 . 1 1 15 15 ALA CA C 13 54.3440 0.25 . 1 . . . . 15 ALA CA . 16811 1 124 . 1 1 15 15 ALA CB C 13 18.3700 0.25 . 1 . . . . 15 ALA CB . 16811 1 125 . 1 1 15 15 ALA N N 15 121.7400 0.13 . 1 . . . . 15 ALA N . 16811 1 126 . 1 1 16 16 GLU H H 1 7.7600 0.01 . 1 . . . . 16 GLU HN . 16811 1 127 . 1 1 16 16 GLU HA H 1 4.0400 0.01 . 1 . . . . 16 GLU HA . 16811 1 128 . 1 1 16 16 GLU HB2 H 1 2.1680 0.01 . 2 . . . . 16 GLU HB1 . 16811 1 129 . 1 1 16 16 GLU HB3 H 1 2.0550 0.01 . 2 . . . . 16 GLU HB2 . 16811 1 130 . 1 1 16 16 GLU HG2 H 1 2.3260 0.01 . 2 . . . . 16 GLU HG1 . 16811 1 131 . 1 1 16 16 GLU HG3 H 1 2.2270 0.01 . 2 . . . . 16 GLU HG2 . 16811 1 132 . 1 1 16 16 GLU C C 13 178.6200 0.25 . 1 . . . . 16 GLU C . 16811 1 133 . 1 1 16 16 GLU CA C 13 58.2420 0.25 . 1 . . . . 16 GLU CA . 16811 1 134 . 1 1 16 16 GLU CB C 13 29.8500 0.25 . 1 . . . . 16 GLU CB . 16811 1 135 . 1 1 16 16 GLU CG C 13 36.9900 0.25 . 1 . . . . 16 GLU CG . 16811 1 136 . 1 1 16 16 GLU N N 15 117.5000 0.13 . 1 . . . . 16 GLU N . 16811 1 137 . 1 1 17 17 VAL H H 1 7.4500 0.01 . 1 . . . . 17 VAL HN . 16811 1 138 . 1 1 17 17 VAL HA H 1 3.7820 0.01 . 1 . . . . 17 VAL HA . 16811 1 139 . 1 1 17 17 VAL HB H 1 2.1890 0.01 . 1 . . . . 17 VAL HB . 16811 1 140 . 1 1 17 17 VAL HG11 H 1 1.0160 0.01 . 2 . . . . 17 VAL HG1# . 16811 1 141 . 1 1 17 17 VAL HG12 H 1 1.0160 0.01 . 2 . . . . 17 VAL HG1# . 16811 1 142 . 1 1 17 17 VAL HG13 H 1 1.0160 0.01 . 2 . . . . 17 VAL HG1# . 16811 1 143 . 1 1 17 17 VAL HG21 H 1 0.9920 0.01 . 2 . . . . 17 VAL HG2# . 16811 1 144 . 1 1 17 17 VAL HG22 H 1 0.9920 0.01 . 2 . . . . 17 VAL HG2# . 16811 1 145 . 1 1 17 17 VAL HG23 H 1 0.9920 0.01 . 2 . . . . 17 VAL HG2# . 16811 1 146 . 1 1 17 17 VAL C C 13 177.7500 0.25 . 1 . . . . 17 VAL C . 16811 1 147 . 1 1 17 17 VAL CA C 13 65.2960 0.25 . 1 . . . . 17 VAL CA . 16811 1 148 . 1 1 17 17 VAL CB C 13 32.5700 0.25 . 1 . . . . 17 VAL CB . 16811 1 149 . 1 1 17 17 VAL CG1 C 13 21.0500 0.25 . 2 . . . . 17 VAL CG1 . 16811 1 150 . 1 1 17 17 VAL CG2 C 13 22.9500 0.25 . 2 . . . . 17 VAL CG2 . 16811 1 151 . 1 1 17 17 VAL N N 15 118.8900 0.13 . 1 . . . . 17 VAL N . 16811 1 152 . 1 1 18 18 ALA H H 1 8.2200 0.01 . 1 . . . . 18 ALA HN . 16811 1 153 . 1 1 18 18 ALA HA H 1 4.1400 0.01 . 1 . . . . 18 ALA HA . 16811 1 154 . 1 1 18 18 ALA HB1 H 1 1.3900 0.01 . 2 . . . . 18 ALA HB# . 16811 1 155 . 1 1 18 18 ALA HB2 H 1 1.3900 0.01 . 2 . . . . 18 ALA HB# . 16811 1 156 . 1 1 18 18 ALA HB3 H 1 1.3900 0.01 . 2 . . . . 18 ALA HB# . 16811 1 157 . 1 1 18 18 ALA C C 13 178.5800 0.25 . 1 . . . . 18 ALA C . 16811 1 158 . 1 1 18 18 ALA CA C 13 53.9800 0.25 . 1 . . . . 18 ALA CA . 16811 1 159 . 1 1 18 18 ALA CB C 13 17.7900 0.25 . 1 . . . . 18 ALA CB . 16811 1 160 . 1 1 18 18 ALA N N 15 122.8400 0.13 . 1 . . . . 18 ALA N . 16811 1 161 . 1 1 19 19 ASN H H 1 7.7000 0.01 . 1 . . . . 19 ASN HN . 16811 1 162 . 1 1 19 19 ASN HA H 1 4.7270 0.01 . 1 . . . . 19 ASN HA . 16811 1 163 . 1 1 19 19 ASN HB2 H 1 2.6520 0.01 . 2 . . . . 19 ASN HB1 . 16811 1 164 . 1 1 19 19 ASN HB3 H 1 2.8690 0.01 . 2 . . . . 19 ASN HB2 . 16811 1 165 . 1 1 19 19 ASN C C 13 174.7900 0.25 . 1 . . . . 19 ASN C . 16811 1 166 . 1 1 19 19 ASN CA C 13 52.7390 0.25 . 1 . . . . 19 ASN CA . 16811 1 167 . 1 1 19 19 ASN CB C 13 39.2200 0.25 . 1 . . . . 19 ASN CB . 16811 1 168 . 1 1 19 19 ASN N N 15 113.8900 0.13 . 1 . . . . 19 ASN N . 16811 1 169 . 1 1 20 20 ALA H H 1 7.4100 0.01 . 1 . . . . 20 ALA HN . 16811 1 170 . 1 1 20 20 ALA HA H 1 4.1580 0.01 . 1 . . . . 20 ALA HA . 16811 1 171 . 1 1 20 20 ALA HB1 H 1 1.4280 0.01 . 2 . . . . 20 ALA HB# . 16811 1 172 . 1 1 20 20 ALA HB2 H 1 1.4280 0.01 . 2 . . . . 20 ALA HB# . 16811 1 173 . 1 1 20 20 ALA HB3 H 1 1.4280 0.01 . 2 . . . . 20 ALA HB# . 16811 1 174 . 1 1 20 20 ALA C C 13 177.3700 0.25 . 1 . . . . 20 ALA C . 16811 1 175 . 1 1 20 20 ALA CA C 13 53.0960 0.25 . 1 . . . . 20 ALA CA . 16811 1 176 . 1 1 20 20 ALA CB C 13 19.6350 0.25 . 1 . . . . 20 ALA CB . 16811 1 177 . 1 1 20 20 ALA N N 15 123.7600 0.13 . 1 . . . . 20 ALA N . 16811 1 178 . 1 1 21 21 SER H H 1 8.2800 0.01 . 1 . . . . 21 SER HN . 16811 1 179 . 1 1 21 21 SER HA H 1 4.5580 0.01 . 1 . . . . 21 SER HA . 16811 1 180 . 1 1 21 21 SER HB2 H 1 3.7550 0.01 . 2 . . . . 21 SER HB1 . 16811 1 181 . 1 1 21 21 SER HB3 H 1 3.7230 0.01 . 2 . . . . 21 SER HB2 . 16811 1 182 . 1 1 21 21 SER C C 13 176.6800 0.25 . 1 . . . . 21 SER C . 16811 1 183 . 1 1 21 21 SER CA C 13 56.8110 0.25 . 1 . . . . 21 SER CA . 16811 1 184 . 1 1 21 21 SER CB C 13 63.9830 0.25 . 1 . . . . 21 SER CB . 16811 1 185 . 1 1 21 21 SER N N 15 115.8700 0.13 . 1 . . . . 21 SER N . 16811 1 186 . 1 1 22 22 LEU H H 1 8.2200 0.01 . 1 . . . . 22 LEU HN . 16811 1 187 . 1 1 22 22 LEU HA H 1 4.1000 0.01 . 1 . . . . 22 LEU HA . 16811 1 188 . 1 1 22 22 LEU HB2 H 1 1.6900 0.01 . 2 . . . . 22 LEU HB1 . 16811 1 189 . 1 1 22 22 LEU HB3 H 1 1.4800 0.01 . 2 . . . . 22 LEU HB2 . 16811 1 190 . 1 1 22 22 LEU HD11 H 1 0.8500 0.01 . 2 . . . . 22 LEU HD1# . 16811 1 191 . 1 1 22 22 LEU HD12 H 1 0.8500 0.01 . 2 . . . . 22 LEU HD1# . 16811 1 192 . 1 1 22 22 LEU HD13 H 1 0.8500 0.01 . 2 . . . . 22 LEU HD1# . 16811 1 193 . 1 1 22 22 LEU HD21 H 1 0.8500 0.01 . 2 . . . . 22 LEU HD2# . 16811 1 194 . 1 1 22 22 LEU HD22 H 1 0.8500 0.01 . 2 . . . . 22 LEU HD2# . 16811 1 195 . 1 1 22 22 LEU HD23 H 1 0.8500 0.01 . 2 . . . . 22 LEU HD2# . 16811 1 196 . 1 1 22 22 LEU HG H 1 1.2630 0.01 . 1 . . . . 22 LEU HG . 16811 1 197 . 1 1 22 22 LEU C C 13 176.1500 0.25 . 1 . . . . 22 LEU C . 16811 1 198 . 1 1 22 22 LEU CA C 13 55.1000 0.25 . 1 . . . . 22 LEU CA . 16811 1 199 . 1 1 22 22 LEU CB C 13 43.1140 0.25 . 1 . . . . 22 LEU CB . 16811 1 200 . 1 1 22 22 LEU CD1 C 13 24.3200 0.25 . 2 . . . . 22 LEU CD1 . 16811 1 201 . 1 1 22 22 LEU CG C 13 26.9100 0.25 . 1 . . . . 22 LEU CG . 16811 1 202 . 1 1 22 22 LEU N N 15 125.6500 0.13 . 1 . . . . 22 LEU N . 16811 1 203 . 1 1 23 23 ASP H H 1 8.5000 0.01 . 1 . . . . 23 ASP HN . 16811 1 204 . 1 1 23 23 ASP HA H 1 4.6920 0.01 . 1 . . . . 23 ASP HA . 16811 1 205 . 1 1 23 23 ASP HB2 H 1 2.8250 0.01 . 2 . . . . 23 ASP HB1 . 16811 1 206 . 1 1 23 23 ASP HB3 H 1 2.5780 0.01 . 2 . . . . 23 ASP HB2 . 16811 1 207 . 1 1 23 23 ASP C C 13 176.8500 0.25 . 1 . . . . 23 ASP C . 16811 1 208 . 1 1 23 23 ASP CA C 13 52.6350 0.25 . 1 . . . . 23 ASP CA . 16811 1 209 . 1 1 23 23 ASP CB C 13 40.3700 0.25 . 1 . . . . 23 ASP CB . 16811 1 210 . 1 1 23 23 ASP N N 15 125.3100 0.13 . 1 . . . . 23 ASP N . 16811 1 211 . 1 1 24 24 LYS H H 1 8.5400 0.01 . 1 . . . . 24 LYS HN . 16811 1 212 . 1 1 24 24 LYS HA H 1 3.8890 0.01 . 1 . . . . 24 LYS HA . 16811 1 213 . 1 1 24 24 LYS HB2 H 1 1.9060 0.01 . 2 . . . . 24 LYS HB1 . 16811 1 214 . 1 1 24 24 LYS HB3 H 1 1.8220 0.01 . 2 . . . . 24 LYS HB2 . 16811 1 215 . 1 1 24 24 LYS HD2 H 1 1.7200 0.01 . 2 . . . . 24 LYS HD1 . 16811 1 216 . 1 1 24 24 LYS HD3 H 1 1.6800 0.01 . 2 . . . . 24 LYS HD2 . 16811 1 217 . 1 1 24 24 LYS HE2 H 1 3.0300 0.01 . 2 . . . . 24 LYS HE1 . 16811 1 218 . 1 1 24 24 LYS HE3 H 1 2.9700 0.01 . 2 . . . . 24 LYS HE2 . 16811 1 219 . 1 1 24 24 LYS HG2 H 1 1.5510 0.01 . 2 . . . . 24 LYS HG1 . 16811 1 220 . 1 1 24 24 LYS HG3 H 1 1.4230 0.01 . 2 . . . . 24 LYS HG2 . 16811 1 221 . 1 1 24 24 LYS C C 13 178.3100 0.25 . 1 . . . . 24 LYS C . 16811 1 222 . 1 1 24 24 LYS CA C 13 59.1800 0.25 . 1 . . . . 24 LYS CA . 16811 1 223 . 1 1 24 24 LYS CB C 13 32.0700 0.25 . 1 . . . . 24 LYS CB . 16811 1 224 . 1 1 24 24 LYS CD C 13 28.9400 0.25 . 1 . . . . 24 LYS CD . 16811 1 225 . 1 1 24 24 LYS CE C 13 41.7100 0.25 . 1 . . . . 24 LYS CE . 16811 1 226 . 1 1 24 24 LYS CG C 13 25.6700 0.25 . 1 . . . . 24 LYS CG . 16811 1 227 . 1 1 24 24 LYS N N 15 124.6300 0.13 . 1 . . . . 24 LYS N . 16811 1 228 . 1 1 25 25 LYS H H 1 8.2300 0.01 . 1 . . . . 25 LYS HN . 16811 1 229 . 1 1 25 25 LYS HA H 1 4.1950 0.01 . 1 . . . . 25 LYS HA . 16811 1 230 . 1 1 25 25 LYS HB2 H 1 1.9580 0.01 . 2 . . . . 25 LYS HB1 . 16811 1 231 . 1 1 25 25 LYS HB3 H 1 1.8380 0.01 . 2 . . . . 25 LYS HB2 . 16811 1 232 . 1 1 25 25 LYS HD2 H 1 1.7200 0.01 . 2 . . . . 25 LYS HD1 . 16811 1 233 . 1 1 25 25 LYS HD3 H 1 1.6700 0.01 . 2 . . . . 25 LYS HD2 . 16811 1 234 . 1 1 25 25 LYS HE2 H 1 3.0300 0.01 . 2 . . . . 25 LYS HE1 . 16811 1 235 . 1 1 25 25 LYS HE3 H 1 2.9700 0.01 . 2 . . . . 25 LYS HE2 . 16811 1 236 . 1 1 25 25 LYS HG2 H 1 1.5090 0.01 . 2 . . . . 25 LYS HG1 . 16811 1 237 . 1 1 25 25 LYS HG3 H 1 1.4540 0.01 . 2 . . . . 25 LYS HG2 . 16811 1 238 . 1 1 25 25 LYS C C 13 177.6900 0.25 . 1 . . . . 25 LYS C . 16811 1 239 . 1 1 25 25 LYS CA C 13 57.9000 0.25 . 1 . . . . 25 LYS CA . 16811 1 240 . 1 1 25 25 LYS CB C 13 31.7400 0.25 . 1 . . . . 25 LYS CB . 16811 1 241 . 1 1 25 25 LYS CD C 13 29.0000 0.25 . 1 . . . . 25 LYS CD . 16811 1 242 . 1 1 25 25 LYS CE C 13 41.6200 0.25 . 1 . . . . 25 LYS CE . 16811 1 243 . 1 1 25 25 LYS CG C 13 25.1900 0.25 . 1 . . . . 25 LYS CG . 16811 1 244 . 1 1 25 25 LYS N N 15 117.6400 0.13 . 1 . . . . 25 LYS N . 16811 1 245 . 1 1 26 26 GLN H H 1 8.0300 0.01 . 1 . . . . 26 GLN HN . 16811 1 246 . 1 1 26 26 GLN HA H 1 4.2490 0.01 . 1 . . . . 26 GLN HA . 16811 1 247 . 1 1 26 26 GLN HB2 H 1 2.0280 0.01 . 2 . . . . 26 GLN HB1 . 16811 1 248 . 1 1 26 26 GLN HB3 H 1 2.4800 0.01 . 2 . . . . 26 GLN HB2 . 16811 1 249 . 1 1 26 26 GLN HG2 H 1 2.6500 0.01 . 2 . . . . 26 GLN HG1 . 16811 1 250 . 1 1 26 26 GLN HG3 H 1 2.1950 0.01 . 2 . . . . 26 GLN HG2 . 16811 1 251 . 1 1 26 26 GLN C C 13 174.9500 0.25 . 1 . . . . 26 GLN C . 16811 1 252 . 1 1 26 26 GLN CA C 13 54.9870 0.25 . 1 . . . . 26 GLN CA . 16811 1 253 . 1 1 26 26 GLN CB C 13 29.9700 0.25 . 1 . . . . 26 GLN CB . 16811 1 254 . 1 1 26 26 GLN CG C 13 33.5700 0.25 . 1 . . . . 26 GLN CG . 16811 1 255 . 1 1 26 26 GLN N N 15 115.7700 0.13 . 1 . . . . 26 GLN N . 16811 1 256 . 1 1 27 27 VAL H H 1 7.2800 0.01 . 1 . . . . 27 VAL HN . 16811 1 257 . 1 1 27 27 VAL HA H 1 4.2520 0.01 . 1 . . . . 27 VAL HA . 16811 1 258 . 1 1 27 27 VAL HB H 1 2.2030 0.01 . 1 . . . . 27 VAL HB . 16811 1 259 . 1 1 27 27 VAL HG11 H 1 1.0450 0.01 . 2 . . . . 27 VAL HG1# . 16811 1 260 . 1 1 27 27 VAL HG12 H 1 1.0450 0.01 . 2 . . . . 27 VAL HG1# . 16811 1 261 . 1 1 27 27 VAL HG13 H 1 1.0450 0.01 . 2 . . . . 27 VAL HG1# . 16811 1 262 . 1 1 27 27 VAL HG21 H 1 1.1960 0.01 . 2 . . . . 27 VAL HG2# . 16811 1 263 . 1 1 27 27 VAL HG22 H 1 1.1960 0.01 . 2 . . . . 27 VAL HG2# . 16811 1 264 . 1 1 27 27 VAL HG23 H 1 1.1960 0.01 . 2 . . . . 27 VAL HG2# . 16811 1 265 . 1 1 27 27 VAL C C 13 177.2000 0.25 . 1 . . . . 27 VAL C . 16811 1 266 . 1 1 27 27 VAL CA C 13 63.4000 0.25 . 1 . . . . 27 VAL CA . 16811 1 267 . 1 1 27 27 VAL CB C 13 32.2900 0.25 . 1 . . . . 27 VAL CB . 16811 1 268 . 1 1 27 27 VAL CG1 C 13 23.1500 0.25 . 2 . . . . 27 VAL CG1 . 16811 1 269 . 1 1 27 27 VAL CG2 C 13 22.1600 0.25 . 2 . . . . 27 VAL CG2 . 16811 1 270 . 1 1 27 27 VAL N N 15 120.1700 0.13 . 1 . . . . 27 VAL N . 16811 1 271 . 1 1 28 28 ILE H H 1 9.0200 0.01 . 1 . . . . 28 ILE HN . 16811 1 272 . 1 1 28 28 ILE HA H 1 4.6960 0.01 . 1 . . . . 28 ILE HA . 16811 1 273 . 1 1 28 28 ILE HB H 1 2.2110 0.01 . 1 . . . . 28 ILE HB . 16811 1 274 . 1 1 28 28 ILE HD11 H 1 0.8440 0.01 . 2 . . . . 28 ILE HD1# . 16811 1 275 . 1 1 28 28 ILE HD12 H 1 0.8440 0.01 . 2 . . . . 28 ILE HD1# . 16811 1 276 . 1 1 28 28 ILE HD13 H 1 0.8440 0.01 . 2 . . . . 28 ILE HD1# . 16811 1 277 . 1 1 28 28 ILE HG12 H 1 1.0040 0.01 . 2 . . . . 28 ILE HG11 . 16811 1 278 . 1 1 28 28 ILE HG13 H 1 0.8280 0.01 . 2 . . . . 28 ILE HG12 . 16811 1 279 . 1 1 28 28 ILE HG21 H 1 0.9170 0.01 . 2 . . . . 28 ILE HG2# . 16811 1 280 . 1 1 28 28 ILE HG22 H 1 0.9170 0.01 . 2 . . . . 28 ILE HG2# . 16811 1 281 . 1 1 28 28 ILE HG23 H 1 0.9170 0.01 . 2 . . . . 28 ILE HG2# . 16811 1 282 . 1 1 28 28 ILE C C 13 175.3100 0.25 . 1 . . . . 28 ILE C . 16811 1 283 . 1 1 28 28 ILE CA C 13 60.6400 0.25 . 1 . . . . 28 ILE CA . 16811 1 284 . 1 1 28 28 ILE CB C 13 39.5000 0.25 . 1 . . . . 28 ILE CB . 16811 1 285 . 1 1 28 28 ILE CD1 C 13 14.4700 0.25 . 1 . . . . 28 ILE CD1 . 16811 1 286 . 1 1 28 28 ILE CG1 C 13 26.4700 0.25 . 1 . . . . 28 ILE CG1 . 16811 1 287 . 1 1 28 28 ILE CG2 C 13 18.8100 0.25 . 1 . . . . 28 ILE CG2 . 16811 1 288 . 1 1 28 28 ILE N N 15 120.8200 0.13 . 1 . . . . 28 ILE N . 16811 1 289 . 1 1 29 29 GLY H H 1 7.6500 0.01 . 1 . . . . 29 GLY HN . 16811 1 290 . 1 1 29 29 GLY HA2 H 1 4.1400 0.01 . 2 . . . . 29 GLY HA1 . 16811 1 291 . 1 1 29 29 GLY HA3 H 1 4.6020 0.01 . 2 . . . . 29 GLY HA2 . 16811 1 292 . 1 1 29 29 GLY C C 13 172.2200 0.25 . 1 . . . . 29 GLY C . 16811 1 293 . 1 1 29 29 GLY CA C 13 46.1700 0.25 . 1 . . . . 29 GLY CA . 16811 1 294 . 1 1 29 29 GLY N N 15 109.2900 0.13 . 1 . . . . 29 GLY N . 16811 1 295 . 1 1 30 30 ARG H H 1 8.9000 0.01 . 1 . . . . 30 ARG HN . 16811 1 296 . 1 1 30 30 ARG HA H 1 5.2400 0.01 . 1 . . . . 30 ARG HA . 16811 1 297 . 1 1 30 30 ARG HB2 H 1 1.8730 0.01 . 2 . . . . 30 ARG HB1 . 16811 1 298 . 1 1 30 30 ARG HB3 H 1 1.7900 0.01 . 2 . . . . 30 ARG HB2 . 16811 1 299 . 1 1 30 30 ARG HD2 H 1 3.0800 0.01 . 2 . . . . 30 ARG HD1 . 16811 1 300 . 1 1 30 30 ARG HD3 H 1 2.9090 0.01 . 2 . . . . 30 ARG HD2 . 16811 1 301 . 1 1 30 30 ARG HG2 H 1 1.5430 0.01 . 2 . . . . 30 ARG HG2 . 16811 1 302 . 1 1 30 30 ARG C C 13 172.6900 0.25 . 1 . . . . 30 ARG C . 16811 1 303 . 1 1 30 30 ARG CA C 13 55.3380 0.25 . 1 . . . . 30 ARG CA . 16811 1 304 . 1 1 30 30 ARG CB C 13 34.5300 0.25 . 1 . . . . 30 ARG CB . 16811 1 305 . 1 1 30 30 ARG CD C 13 42.8600 0.25 . 1 . . . . 30 ARG CD . 16811 1 306 . 1 1 30 30 ARG CG C 13 27.5800 0.25 . 1 . . . . 30 ARG CG . 16811 1 307 . 1 1 30 30 ARG N N 15 121.5600 0.13 . 1 . . . . 30 ARG N . 16811 1 308 . 1 1 31 31 ILE H H 1 9.4000 0.01 . 1 . . . . 31 ILE HN . 16811 1 309 . 1 1 31 31 ILE HA H 1 5.6280 0.01 . 1 . . . . 31 ILE HA . 16811 1 310 . 1 1 31 31 ILE HB H 1 1.4210 0.01 . 1 . . . . 31 ILE HB . 16811 1 311 . 1 1 31 31 ILE HD11 H 1 0.6730 0.01 . 2 . . . . 31 ILE HD1# . 16811 1 312 . 1 1 31 31 ILE HD12 H 1 0.6730 0.01 . 2 . . . . 31 ILE HD1# . 16811 1 313 . 1 1 31 31 ILE HD13 H 1 0.6730 0.01 . 2 . . . . 31 ILE HD1# . 16811 1 314 . 1 1 31 31 ILE HG12 H 1 1.6830 0.01 . 2 . . . . 31 ILE HG11 . 16811 1 315 . 1 1 31 31 ILE HG13 H 1 0.7310 0.01 . 2 . . . . 31 ILE HG12 . 16811 1 316 . 1 1 31 31 ILE HG21 H 1 0.9170 0.01 . 2 . . . . 31 ILE HG2# . 16811 1 317 . 1 1 31 31 ILE HG22 H 1 0.9170 0.01 . 2 . . . . 31 ILE HG2# . 16811 1 318 . 1 1 31 31 ILE HG23 H 1 0.9170 0.01 . 2 . . . . 31 ILE HG2# . 16811 1 319 . 1 1 31 31 ILE C C 13 172.6200 0.25 . 1 . . . . 31 ILE C . 16811 1 320 . 1 1 31 31 ILE CA C 13 57.8750 0.25 . 1 . . . . 31 ILE CA . 16811 1 321 . 1 1 31 31 ILE CB C 13 41.5100 0.25 . 1 . . . . 31 ILE CB . 16811 1 322 . 1 1 31 31 ILE CD1 C 13 15.1100 0.25 . 1 . . . . 31 ILE CD1 . 16811 1 323 . 1 1 31 31 ILE CG1 C 13 28.8000 0.25 . 1 . . . . 31 ILE CG1 . 16811 1 324 . 1 1 31 31 ILE CG2 C 13 15.4500 0.25 . 1 . . . . 31 ILE CG2 . 16811 1 325 . 1 1 31 31 ILE N N 15 120.3400 0.13 . 1 . . . . 31 ILE N . 16811 1 326 . 1 1 32 32 SER H H 1 9.5500 0.01 . 1 . . . . 32 SER HN . 16811 1 327 . 1 1 32 32 SER HA H 1 5.5420 0.01 . 1 . . . . 32 SER HA . 16811 1 328 . 1 1 32 32 SER HB2 H 1 3.9970 0.01 . 2 . . . . 32 SER HB1 . 16811 1 329 . 1 1 32 32 SER HB3 H 1 3.9710 0.01 . 2 . . . . 32 SER HB2 . 16811 1 330 . 1 1 32 32 SER C C 13 174.4600 0.25 . 1 . . . . 32 SER C . 16811 1 331 . 1 1 32 32 SER CA C 13 55.5700 0.25 . 1 . . . . 32 SER CA . 16811 1 332 . 1 1 32 32 SER CB C 13 65.8050 0.25 . 1 . . . . 32 SER CB . 16811 1 333 . 1 1 32 32 SER N N 15 121.8600 0.13 . 1 . . . . 32 SER N . 16811 1 334 . 1 1 33 33 ILE H H 1 9.1400 0.01 . 1 . . . . 33 ILE HN . 16811 1 335 . 1 1 33 33 ILE HA H 1 4.9850 0.01 . 1 . . . . 33 ILE HA . 16811 1 336 . 1 1 33 33 ILE HB H 1 2.0100 0.01 . 1 . . . . 33 ILE HB . 16811 1 337 . 1 1 33 33 ILE HD11 H 1 0.5600 0.01 . 2 . . . . 33 ILE HD1# . 16811 1 338 . 1 1 33 33 ILE HD12 H 1 0.5600 0.01 . 2 . . . . 33 ILE HD1# . 16811 1 339 . 1 1 33 33 ILE HD13 H 1 0.5600 0.01 . 2 . . . . 33 ILE HD1# . 16811 1 340 . 1 1 33 33 ILE HG12 H 1 1.5720 0.01 . 2 . . . . 33 ILE HG11 . 16811 1 341 . 1 1 33 33 ILE HG13 H 1 1.1280 0.01 . 2 . . . . 33 ILE HG12 . 16811 1 342 . 1 1 33 33 ILE HG21 H 1 0.9500 0.01 . 2 . . . . 33 ILE HG2# . 16811 1 343 . 1 1 33 33 ILE HG22 H 1 0.9500 0.01 . 2 . . . . 33 ILE HG2# . 16811 1 344 . 1 1 33 33 ILE HG23 H 1 0.9500 0.01 . 2 . . . . 33 ILE HG2# . 16811 1 345 . 1 1 33 33 ILE C C 13 174.6100 0.25 . 1 . . . . 33 ILE C . 16811 1 346 . 1 1 33 33 ILE CA C 13 58.6160 0.25 . 1 . . . . 33 ILE CA . 16811 1 347 . 1 1 33 33 ILE CB C 13 38.5300 0.25 . 1 . . . . 33 ILE CB . 16811 1 348 . 1 1 33 33 ILE CD1 C 13 13.8700 0.25 . 1 . . . . 33 ILE CD1 . 16811 1 349 . 1 1 33 33 ILE CG1 C 13 26.0600 0.25 . 1 . . . . 33 ILE CG1 . 16811 1 350 . 1 1 33 33 ILE CG2 C 13 19.5200 0.25 . 1 . . . . 33 ILE CG2 . 16811 1 351 . 1 1 33 33 ILE N N 15 124.0900 0.13 . 1 . . . . 33 ILE N . 16811 1 352 . 1 1 34 34 PRO HA H 1 4.4620 0.01 . 1 . . . . 34 PRO HA . 16811 1 353 . 1 1 34 34 PRO HB2 H 1 2.4400 0.01 . 2 . . . . 34 PRO HB1 . 16811 1 354 . 1 1 34 34 PRO HB3 H 1 2.0770 0.01 . 2 . . . . 34 PRO HB2 . 16811 1 355 . 1 1 34 34 PRO HD2 H 1 3.9100 0.01 . 2 . . . . 34 PRO HD1 . 16811 1 356 . 1 1 34 34 PRO HD3 H 1 4.1200 0.01 . 2 . . . . 34 PRO HD2 . 16811 1 357 . 1 1 34 34 PRO HG2 H 1 2.2570 0.01 . 2 . . . . 34 PRO HG1 . 16811 1 358 . 1 1 34 34 PRO HG3 H 1 2.0750 0.01 . 2 . . . . 34 PRO HG2 . 16811 1 359 . 1 1 34 34 PRO CA C 13 65.5350 0.25 . 1 . . . . 34 PRO CA . 16811 1 360 . 1 1 34 34 PRO CB C 13 32.2100 0.25 . 1 . . . . 34 PRO CB . 16811 1 361 . 1 1 34 34 PRO CD C 13 50.7700 0.25 . 1 . . . . 34 PRO CD . 16811 1 362 . 1 1 34 34 PRO CG C 13 27.5100 0.25 . 1 . . . . 34 PRO CG . 16811 1 363 . 1 1 35 35 SER H H 1 9.3230 0.01 . 1 . . . . 35 SER HN . 16811 1 364 . 1 1 35 35 SER HA H 1 4.1600 0.01 . 1 . . . . 35 SER HA . 16811 1 365 . 1 1 35 35 SER HB2 H 1 3.7940 0.01 . 2 . . . . 35 SER HB1 . 16811 1 366 . 1 1 35 35 SER HB3 H 1 3.8640 0.01 . 2 . . . . 35 SER HB2 . 16811 1 367 . 1 1 35 35 SER C C 13 175.6840 0.25 . 1 . . . . 35 SER C . 16811 1 368 . 1 1 35 35 SER CA C 13 61.2540 0.25 . 1 . . . . 35 SER CA . 16811 1 369 . 1 1 35 35 SER CB C 13 62.6410 0.25 . 1 . . . . 35 SER CB . 16811 1 370 . 1 1 35 35 SER N N 15 114.1520 0.13 . 1 . . . . 35 SER N . 16811 1 371 . 1 1 36 36 VAL H H 1 6.9600 0.01 . 1 . . . . 36 VAL HN . 16811 1 372 . 1 1 36 36 VAL HA H 1 4.6930 0.01 . 1 . . . . 36 VAL HA . 16811 1 373 . 1 1 36 36 VAL HB H 1 2.4450 0.01 . 1 . . . . 36 VAL HB . 16811 1 374 . 1 1 36 36 VAL HG11 H 1 0.6890 0.01 . 2 . . . . 36 VAL HG1# . 16811 1 375 . 1 1 36 36 VAL HG12 H 1 0.6890 0.01 . 2 . . . . 36 VAL HG1# . 16811 1 376 . 1 1 36 36 VAL HG13 H 1 0.6890 0.01 . 2 . . . . 36 VAL HG1# . 16811 1 377 . 1 1 36 36 VAL HG21 H 1 0.6170 0.01 . 2 . . . . 36 VAL HG2# . 16811 1 378 . 1 1 36 36 VAL HG22 H 1 0.6170 0.01 . 2 . . . . 36 VAL HG2# . 16811 1 379 . 1 1 36 36 VAL HG23 H 1 0.6170 0.01 . 2 . . . . 36 VAL HG2# . 16811 1 380 . 1 1 36 36 VAL C C 13 174.7600 0.25 . 1 . . . . 36 VAL C . 16811 1 381 . 1 1 36 36 VAL CA C 13 59.6950 0.25 . 1 . . . . 36 VAL CA . 16811 1 382 . 1 1 36 36 VAL CB C 13 30.8600 0.25 . 1 . . . . 36 VAL CB . 16811 1 383 . 1 1 36 36 VAL CG1 C 13 21.1300 0.25 . 2 . . . . 36 VAL CG1 . 16811 1 384 . 1 1 36 36 VAL CG2 C 13 18.6000 0.25 . 2 . . . . 36 VAL CG2 . 16811 1 385 . 1 1 36 36 VAL N N 15 108.9500 0.13 . 1 . . . . 36 VAL N . 16811 1 386 . 1 1 37 37 SER H H 1 7.9400 0.01 . 1 . . . . 37 SER HN . 16811 1 387 . 1 1 37 37 SER HA H 1 3.9480 0.01 . 1 . . . . 37 SER HA . 16811 1 388 . 1 1 37 37 SER HB2 H 1 4.0280 0.01 . 2 . . . . 37 SER HB1 . 16811 1 389 . 1 1 37 37 SER HB3 H 1 3.8750 0.01 . 2 . . . . 37 SER HB2 . 16811 1 390 . 1 1 37 37 SER C C 13 172.4700 0.25 . 1 . . . . 37 SER C . 16811 1 391 . 1 1 37 37 SER CA C 13 58.7110 0.25 . 1 . . . . 37 SER CA . 16811 1 392 . 1 1 37 37 SER CB C 13 61.3260 0.25 . 1 . . . . 37 SER CB . 16811 1 393 . 1 1 37 37 SER N N 15 115.9900 0.13 . 1 . . . . 37 SER N . 16811 1 394 . 1 1 38 38 LEU H H 1 7.4200 0.01 . 1 . . . . 38 LEU HN . 16811 1 395 . 1 1 38 38 LEU HA H 1 4.6620 0.01 . 1 . . . . 38 LEU HA . 16811 1 396 . 1 1 38 38 LEU HB2 H 1 1.5250 0.01 . 2 . . . . 38 LEU HB1 . 16811 1 397 . 1 1 38 38 LEU HB3 H 1 1.5250 0.01 . 2 . . . . 38 LEU HB2 . 16811 1 398 . 1 1 38 38 LEU HD11 H 1 0.8090 0.01 . 2 . . . . 38 LEU HD1# . 16811 1 399 . 1 1 38 38 LEU HD12 H 1 0.8090 0.01 . 2 . . . . 38 LEU HD1# . 16811 1 400 . 1 1 38 38 LEU HD13 H 1 0.8090 0.01 . 2 . . . . 38 LEU HD1# . 16811 1 401 . 1 1 38 38 LEU HD21 H 1 0.9490 0.01 . 2 . . . . 38 LEU HD2# . 16811 1 402 . 1 1 38 38 LEU HD22 H 1 0.9490 0.01 . 2 . . . . 38 LEU HD2# . 16811 1 403 . 1 1 38 38 LEU HD23 H 1 0.9490 0.01 . 2 . . . . 38 LEU HD2# . 16811 1 404 . 1 1 38 38 LEU C C 13 176.1800 0.25 . 1 . . . . 38 LEU C . 16811 1 405 . 1 1 38 38 LEU CA C 13 54.4430 0.25 . 1 . . . . 38 LEU CA . 16811 1 406 . 1 1 38 38 LEU CB C 13 45.6200 0.25 . 1 . . . . 38 LEU CB . 16811 1 407 . 1 1 38 38 LEU CD1 C 13 25.7100 0.25 . 2 . . . . 38 LEU CD1 . 16811 1 408 . 1 1 38 38 LEU N N 15 120.6000 0.13 . 1 . . . . 38 LEU N . 16811 1 409 . 1 1 39 39 GLU H H 1 8.9600 0.01 . 1 . . . . 39 GLU HN . 16811 1 410 . 1 1 39 39 GLU HA H 1 5.2000 0.01 . 1 . . . . 39 GLU HA . 16811 1 411 . 1 1 39 39 GLU HB2 H 1 2.0030 0.01 . 2 . . . . 39 GLU HB1 . 16811 1 412 . 1 1 39 39 GLU HB3 H 1 1.9200 0.01 . 2 . . . . 39 GLU HB2 . 16811 1 413 . 1 1 39 39 GLU HG2 H 1 2.1860 0.01 . 2 . . . . 39 GLU HG1 . 16811 1 414 . 1 1 39 39 GLU HG3 H 1 2.0940 0.01 . 2 . . . . 39 GLU HG2 . 16811 1 415 . 1 1 39 39 GLU C C 13 174.7700 0.25 . 1 . . . . 39 GLU C . 16811 1 416 . 1 1 39 39 GLU CA C 13 56.1260 0.25 . 1 . . . . 39 GLU CA . 16811 1 417 . 1 1 39 39 GLU CB C 13 31.7400 0.25 . 1 . . . . 39 GLU CB . 16811 1 418 . 1 1 39 39 GLU CG C 13 35.9200 0.25 . 1 . . . . 39 GLU CG . 16811 1 419 . 1 1 39 39 GLU N N 15 130.1700 0.13 . 1 . . . . 39 GLU N . 16811 1 420 . 1 1 40 40 LEU H H 1 8.7900 0.01 . 1 . . . . 40 LEU HN . 16811 1 421 . 1 1 40 40 LEU HA H 1 5.2400 0.01 . 1 . . . . 40 LEU HA . 16811 1 422 . 1 1 40 40 LEU HB2 H 1 1.5250 0.01 . 2 . . . . 40 LEU HB1 . 16811 1 423 . 1 1 40 40 LEU HB3 H 1 1.6240 0.01 . 2 . . . . 40 LEU HB2 . 16811 1 424 . 1 1 40 40 LEU HD11 H 1 1.2350 0.01 . 2 . . . . 40 LEU HD1# . 16811 1 425 . 1 1 40 40 LEU HD12 H 1 1.2350 0.01 . 2 . . . . 40 LEU HD1# . 16811 1 426 . 1 1 40 40 LEU HD13 H 1 1.2350 0.01 . 2 . . . . 40 LEU HD1# . 16811 1 427 . 1 1 40 40 LEU HG H 1 0.8800 0.01 . 1 . . . . 40 LEU HG . 16811 1 428 . 1 1 40 40 LEU C C 13 173.3900 0.25 . 1 . . . . 40 LEU C . 16811 1 429 . 1 1 40 40 LEU CA C 13 51.5050 0.25 . 1 . . . . 40 LEU CA . 16811 1 430 . 1 1 40 40 LEU CB C 13 46.6200 0.25 . 1 . . . . 40 LEU CB . 16811 1 431 . 1 1 40 40 LEU CD1 C 13 23.8600 0.25 . 2 . . . . 40 LEU CD1 . 16811 1 432 . 1 1 40 40 LEU CG C 13 26.6500 0.25 . 1 . . . . 40 LEU CG . 16811 1 433 . 1 1 40 40 LEU N N 15 123.6300 0.13 . 1 . . . . 40 LEU N . 16811 1 434 . 1 1 41 41 PRO HA H 1 4.8670 0.01 . 1 . . . . 41 PRO HA . 16811 1 435 . 1 1 41 41 PRO HB2 H 1 2.4190 0.01 . 2 . . . . 41 PRO HB1 . 16811 1 436 . 1 1 41 41 PRO HB3 H 1 1.7920 0.01 . 2 . . . . 41 PRO HB2 . 16811 1 437 . 1 1 41 41 PRO HD2 H 1 3.8960 0.01 . 2 . . . . 41 PRO HD1 . 16811 1 438 . 1 1 41 41 PRO HD3 H 1 3.9480 0.01 . 2 . . . . 41 PRO HD2 . 16811 1 439 . 1 1 41 41 PRO HG2 H 1 2.0920 0.01 . 2 . . . . 41 PRO HG1 . 16811 1 440 . 1 1 41 41 PRO HG3 H 1 2.0310 0.01 . 2 . . . . 41 PRO HG2 . 16811 1 441 . 1 1 41 41 PRO CA C 13 62.5830 0.25 . 1 . . . . 41 PRO CA . 16811 1 442 . 1 1 41 41 PRO CB C 13 32.3700 0.25 . 1 . . . . 41 PRO CB . 16811 1 443 . 1 1 41 41 PRO CD C 13 50.1220 0.25 . 1 . . . . 41 PRO CD . 16811 1 444 . 1 1 41 41 PRO CG C 13 27.5300 0.25 . 1 . . . . 41 PRO CG . 16811 1 445 . 1 1 42 42 VAL H H 1 7.9400 0.01 . 1 . . . . 42 VAL HN . 16811 1 446 . 1 1 42 42 VAL HA H 1 4.7350 0.01 . 1 . . . . 42 VAL HA . 16811 1 447 . 1 1 42 42 VAL HB H 1 1.2860 0.01 . 1 . . . . 42 VAL HB . 16811 1 448 . 1 1 42 42 VAL HG11 H 1 0.7690 0.01 . 2 . . . . 42 VAL HG1# . 16811 1 449 . 1 1 42 42 VAL HG12 H 1 0.7690 0.01 . 2 . . . . 42 VAL HG1# . 16811 1 450 . 1 1 42 42 VAL HG13 H 1 0.7690 0.01 . 2 . . . . 42 VAL HG1# . 16811 1 451 . 1 1 42 42 VAL HG21 H 1 0.8700 0.01 . 2 . . . . 42 VAL HG2# . 16811 1 452 . 1 1 42 42 VAL HG22 H 1 0.8700 0.01 . 2 . . . . 42 VAL HG2# . 16811 1 453 . 1 1 42 42 VAL HG23 H 1 0.8700 0.01 . 2 . . . . 42 VAL HG2# . 16811 1 454 . 1 1 42 42 VAL C C 13 174.8100 0.25 . 1 . . . . 42 VAL C . 16811 1 455 . 1 1 42 42 VAL CA C 13 61.2470 0.25 . 1 . . . . 42 VAL CA . 16811 1 456 . 1 1 42 42 VAL CB C 13 33.1200 0.25 . 1 . . . . 42 VAL CB . 16811 1 457 . 1 1 42 42 VAL CG1 C 13 21.5800 0.25 . 2 . . . . 42 VAL CG1 . 16811 1 458 . 1 1 42 42 VAL CG2 C 13 22.2390 0.25 . 2 . . . . 42 VAL CG2 . 16811 1 459 . 1 1 42 42 VAL N N 15 120.4100 0.13 . 1 . . . . 42 VAL N . 16811 1 460 . 1 1 43 43 LEU H H 1 9.2900 0.01 . 1 . . . . 43 LEU HN . 16811 1 461 . 1 1 43 43 LEU HA H 1 5.3160 0.01 . 1 . . . . 43 LEU HA . 16811 1 462 . 1 1 43 43 LEU HB2 H 1 1.3860 0.01 . 2 . . . . 43 LEU HB1 . 16811 1 463 . 1 1 43 43 LEU HB3 H 1 1.6430 0.01 . 2 . . . . 43 LEU HB2 . 16811 1 464 . 1 1 43 43 LEU HD11 H 1 0.7020 0.01 . 2 . . . . 43 LEU HD1# . 16811 1 465 . 1 1 43 43 LEU HD12 H 1 0.7020 0.01 . 2 . . . . 43 LEU HD1# . 16811 1 466 . 1 1 43 43 LEU HD13 H 1 0.7020 0.01 . 2 . . . . 43 LEU HD1# . 16811 1 467 . 1 1 43 43 LEU HD21 H 1 0.7150 0.01 . 2 . . . . 43 LEU HD2# . 16811 1 468 . 1 1 43 43 LEU HD22 H 1 0.7150 0.01 . 2 . . . . 43 LEU HD2# . 16811 1 469 . 1 1 43 43 LEU HD23 H 1 0.7150 0.01 . 2 . . . . 43 LEU HD2# . 16811 1 470 . 1 1 43 43 LEU HG H 1 1.4980 0.01 . 1 . . . . 43 LEU HG . 16811 1 471 . 1 1 43 43 LEU C C 13 176.8400 0.25 . 1 . . . . 43 LEU C . 16811 1 472 . 1 1 43 43 LEU CA C 13 53.2270 0.25 . 1 . . . . 43 LEU CA . 16811 1 473 . 1 1 43 43 LEU CB C 13 43.7200 0.25 . 1 . . . . 43 LEU CB . 16811 1 474 . 1 1 43 43 LEU CD1 C 13 25.7600 0.25 . 2 . . . . 43 LEU CD1 . 16811 1 475 . 1 1 43 43 LEU CD2 C 13 26.4200 0.25 . 2 . . . . 43 LEU CD2 . 16811 1 476 . 1 1 43 43 LEU CG C 13 28.9600 0.25 . 1 . . . . 43 LEU CG . 16811 1 477 . 1 1 43 43 LEU N N 15 128.3300 0.13 . 1 . . . . 43 LEU N . 16811 1 478 . 1 1 44 44 LYS H H 1 8.2800 0.01 . 1 . . . . 44 LYS HN . 16811 1 479 . 1 1 44 44 LYS HA H 1 4.2500 0.01 . 1 . . . . 44 LYS HA . 16811 1 480 . 1 1 44 44 LYS HB2 H 1 1.8610 0.01 . 2 . . . . 44 LYS HB2 . 16811 1 481 . 1 1 44 44 LYS HE2 H 1 2.9900 0.01 . 2 . . . . 44 LYS HE2 . 16811 1 482 . 1 1 44 44 LYS C C 13 175.3000 0.25 . 1 . . . . 44 LYS C . 16811 1 483 . 1 1 44 44 LYS CA C 13 57.1600 0.25 . 1 . . . . 44 LYS CA . 16811 1 484 . 1 1 44 44 LYS CB C 13 33.4800 0.25 . 1 . . . . 44 LYS CB . 16811 1 485 . 1 1 44 44 LYS N N 15 117.9800 0.13 . 1 . . . . 44 LYS N . 16811 1 486 . 1 1 45 45 SER H H 1 7.5600 0.01 . 1 . . . . 45 SER HN . 16811 1 487 . 1 1 45 45 SER HA H 1 4.3970 0.01 . 1 . . . . 45 SER HA . 16811 1 488 . 1 1 45 45 SER HB2 H 1 3.8850 0.01 . 2 . . . . 45 SER HB1 . 16811 1 489 . 1 1 45 45 SER HB3 H 1 3.7820 0.01 . 2 . . . . 45 SER HB2 . 16811 1 490 . 1 1 45 45 SER C C 13 174.5400 0.25 . 1 . . . . 45 SER C . 16811 1 491 . 1 1 45 45 SER CA C 13 58.9260 0.25 . 1 . . . . 45 SER CA . 16811 1 492 . 1 1 45 45 SER CB C 13 64.3190 0.25 . 1 . . . . 45 SER CB . 16811 1 493 . 1 1 45 45 SER N N 15 113.7800 0.13 . 1 . . . . 45 SER N . 16811 1 494 . 1 1 46 46 SER H H 1 8.7900 0.01 . 1 . . . . 46 SER HN . 16811 1 495 . 1 1 46 46 SER HA H 1 4.1240 0.01 . 1 . . . . 46 SER HA . 16811 1 496 . 1 1 46 46 SER HB2 H 1 3.7970 0.01 . 2 . . . . 46 SER HB1 . 16811 1 497 . 1 1 46 46 SER HB3 H 1 3.6380 0.01 . 2 . . . . 46 SER HB2 . 16811 1 498 . 1 1 46 46 SER C C 13 174.1000 0.25 . 1 . . . . 46 SER C . 16811 1 499 . 1 1 46 46 SER CA C 13 56.9700 0.25 . 1 . . . . 46 SER CA . 16811 1 500 . 1 1 46 46 SER CB C 13 62.1580 0.25 . 1 . . . . 46 SER CB . 16811 1 501 . 1 1 46 46 SER N N 15 121.4500 0.13 . 1 . . . . 46 SER N . 16811 1 502 . 1 1 47 47 THR H H 1 7.1800 0.01 . 1 . . . . 47 THR HN . 16811 1 503 . 1 1 47 47 THR HA H 1 4.3750 0.01 . 1 . . . . 47 THR HA . 16811 1 504 . 1 1 47 47 THR HB H 1 4.4860 0.01 . 1 . . . . 47 THR HB . 16811 1 505 . 1 1 47 47 THR HG21 H 1 1.1230 0.01 . 2 . . . . 47 THR HG2# . 16811 1 506 . 1 1 47 47 THR HG22 H 1 1.1230 0.01 . 2 . . . . 47 THR HG2# . 16811 1 507 . 1 1 47 47 THR HG23 H 1 1.1230 0.01 . 2 . . . . 47 THR HG2# . 16811 1 508 . 1 1 47 47 THR C C 13 174.3400 0.25 . 1 . . . . 47 THR C . 16811 1 509 . 1 1 47 47 THR CA C 13 59.2040 0.25 . 1 . . . . 47 THR CA . 16811 1 510 . 1 1 47 47 THR CB C 13 70.9190 0.25 . 1 . . . . 47 THR CB . 16811 1 511 . 1 1 47 47 THR CG2 C 13 21.9000 0.25 . 1 . . . . 47 THR CG2 . 16811 1 512 . 1 1 47 47 THR N N 15 112.9300 0.13 . 1 . . . . 47 THR N . 16811 1 513 . 1 1 48 48 GLU H H 1 8.9800 0.01 . 1 . . . . 48 GLU HN . 16811 1 514 . 1 1 48 48 GLU HA H 1 3.9400 0.01 . 1 . . . . 48 GLU HA . 16811 1 515 . 1 1 48 48 GLU HB2 H 1 2.0340 0.01 . 2 . . . . 48 GLU HB1 . 16811 1 516 . 1 1 48 48 GLU HB3 H 1 2.0340 0.01 . 2 . . . . 48 GLU HB2 . 16811 1 517 . 1 1 48 48 GLU HG2 H 1 2.3790 0.01 . 2 . . . . 48 GLU HG1 . 16811 1 518 . 1 1 48 48 GLU HG3 H 1 2.2400 0.01 . 2 . . . . 48 GLU HG2 . 16811 1 519 . 1 1 48 48 GLU C C 13 178.8900 0.25 . 1 . . . . 48 GLU C . 16811 1 520 . 1 1 48 48 GLU CA C 13 59.7840 0.25 . 1 . . . . 48 GLU CA . 16811 1 521 . 1 1 48 48 GLU CB C 13 29.3300 0.25 . 1 . . . . 48 GLU CB . 16811 1 522 . 1 1 48 48 GLU CG C 13 36.4300 0.25 . 1 . . . . 48 GLU CG . 16811 1 523 . 1 1 48 48 GLU N N 15 121.6300 0.13 . 1 . . . . 48 GLU N . 16811 1 524 . 1 1 49 49 LYS H H 1 8.2300 0.01 . 1 . . . . 49 LYS HN . 16811 1 525 . 1 1 49 49 LYS HA H 1 4.0010 0.01 . 1 . . . . 49 LYS HA . 16811 1 526 . 1 1 49 49 LYS HB2 H 1 1.7670 0.01 . 2 . . . . 49 LYS HB1 . 16811 1 527 . 1 1 49 49 LYS HB3 H 1 1.6860 0.01 . 2 . . . . 49 LYS HB2 . 16811 1 528 . 1 1 49 49 LYS HE2 H 1 2.9710 0.01 . 2 . . . . 49 LYS HE1 . 16811 1 529 . 1 1 49 49 LYS HE3 H 1 2.9710 0.01 . 2 . . . . 49 LYS HE2 . 16811 1 530 . 1 1 49 49 LYS HG2 H 1 1.4900 0.01 . 2 . . . . 49 LYS HG1 . 16811 1 531 . 1 1 49 49 LYS HG3 H 1 1.4000 0.01 . 2 . . . . 49 LYS HG2 . 16811 1 532 . 1 1 49 49 LYS C C 13 179.6700 0.25 . 1 . . . . 49 LYS C . 16811 1 533 . 1 1 49 49 LYS CA C 13 58.8030 0.25 . 1 . . . . 49 LYS CA . 16811 1 534 . 1 1 49 49 LYS CB C 13 32.4200 0.25 . 1 . . . . 49 LYS CB . 16811 1 535 . 1 1 49 49 LYS CE C 13 41.7900 0.25 . 1 . . . . 49 LYS CE . 16811 1 536 . 1 1 49 49 LYS CG C 13 24.7500 0.25 . 1 . . . . 49 LYS CG . 16811 1 537 . 1 1 49 49 LYS N N 15 115.6900 0.13 . 1 . . . . 49 LYS N . 16811 1 538 . 1 1 50 50 ASN H H 1 7.7300 0.01 . 1 . . . . 50 ASN HN . 16811 1 539 . 1 1 50 50 ASN HA H 1 4.3600 0.01 . 1 . . . . 50 ASN HA . 16811 1 540 . 1 1 50 50 ASN HB2 H 1 2.9740 0.01 . 2 . . . . 50 ASN HB1 . 16811 1 541 . 1 1 50 50 ASN HB3 H 1 2.4060 0.01 . 2 . . . . 50 ASN HB2 . 16811 1 542 . 1 1 50 50 ASN HD21 H 1 6.8830 0.01 . 2 . . . . 50 ASN HD21 . 16811 1 543 . 1 1 50 50 ASN HD22 H 1 7.8630 0.01 . 2 . . . . 50 ASN HD22 . 16811 1 544 . 1 1 50 50 ASN C C 13 177.9100 0.25 . 1 . . . . 50 ASN C . 16811 1 545 . 1 1 50 50 ASN CA C 13 55.4710 0.25 . 1 . . . . 50 ASN CA . 16811 1 546 . 1 1 50 50 ASN CB C 13 37.1600 0.25 . 1 . . . . 50 ASN CB . 16811 1 547 . 1 1 50 50 ASN N N 15 120.6400 0.13 . 1 . . . . 50 ASN N . 16811 1 548 . 1 1 50 50 ASN ND2 N 15 110.4330 0.13 . 1 . . . . 50 ASN ND2 . 16811 1 549 . 1 1 51 51 LEU H H 1 7.9500 0.01 . 1 . . . . 51 LEU HN . 16811 1 550 . 1 1 51 51 LEU HA H 1 4.1480 0.01 . 1 . . . . 51 LEU HA . 16811 1 551 . 1 1 51 51 LEU HB2 H 1 1.1480 0.01 . 2 . . . . 51 LEU HB1 . 16811 1 552 . 1 1 51 51 LEU HB3 H 1 1.6680 0.01 . 2 . . . . 51 LEU HB2 . 16811 1 553 . 1 1 51 51 LEU HD11 H 1 0.4980 0.01 . 2 . . . . 51 LEU HD1# . 16811 1 554 . 1 1 51 51 LEU HD12 H 1 0.4980 0.01 . 2 . . . . 51 LEU HD1# . 16811 1 555 . 1 1 51 51 LEU HD13 H 1 0.4980 0.01 . 2 . . . . 51 LEU HD1# . 16811 1 556 . 1 1 51 51 LEU HD21 H 1 0.5070 0.01 . 2 . . . . 51 LEU HD2# . 16811 1 557 . 1 1 51 51 LEU HD22 H 1 0.5070 0.01 . 2 . . . . 51 LEU HD2# . 16811 1 558 . 1 1 51 51 LEU HD23 H 1 0.5070 0.01 . 2 . . . . 51 LEU HD2# . 16811 1 559 . 1 1 51 51 LEU HG H 1 1.3570 0.01 . 1 . . . . 51 LEU HG . 16811 1 560 . 1 1 51 51 LEU C C 13 177.3700 0.25 . 1 . . . . 51 LEU C . 16811 1 561 . 1 1 51 51 LEU CA C 13 56.2450 0.25 . 1 . . . . 51 LEU CA . 16811 1 562 . 1 1 51 51 LEU CB C 13 41.6100 0.25 . 1 . . . . 51 LEU CB . 16811 1 563 . 1 1 51 51 LEU CD1 C 13 24.3700 0.25 . 2 . . . . 51 LEU CD1 . 16811 1 564 . 1 1 51 51 LEU CD2 C 13 26.3700 0.25 . 2 . . . . 51 LEU CD2 . 16811 1 565 . 1 1 51 51 LEU CG C 13 27.7700 0.25 . 1 . . . . 51 LEU CG . 16811 1 566 . 1 1 51 51 LEU N N 15 118.1200 0.13 . 1 . . . . 51 LEU N . 16811 1 567 . 1 1 52 52 LEU H H 1 7.2000 0.01 . 1 . . . . 52 LEU HN . 16811 1 568 . 1 1 52 52 LEU HA H 1 4.2580 0.01 . 1 . . . . 52 LEU HA . 16811 1 569 . 1 1 52 52 LEU HB2 H 1 1.9180 0.01 . 2 . . . . 52 LEU HB1 . 16811 1 570 . 1 1 52 52 LEU HB3 H 1 1.4820 0.01 . 2 . . . . 52 LEU HB2 . 16811 1 571 . 1 1 52 52 LEU HD11 H 1 0.7150 0.01 . 2 . . . . 52 LEU HD1# . 16811 1 572 . 1 1 52 52 LEU HD12 H 1 0.7150 0.01 . 2 . . . . 52 LEU HD1# . 16811 1 573 . 1 1 52 52 LEU HD13 H 1 0.7150 0.01 . 2 . . . . 52 LEU HD1# . 16811 1 574 . 1 1 52 52 LEU HD21 H 1 0.9070 0.01 . 2 . . . . 52 LEU HD2# . 16811 1 575 . 1 1 52 52 LEU HD22 H 1 0.9070 0.01 . 2 . . . . 52 LEU HD2# . 16811 1 576 . 1 1 52 52 LEU HD23 H 1 0.9070 0.01 . 2 . . . . 52 LEU HD2# . 16811 1 577 . 1 1 52 52 LEU HG H 1 2.0900 0.01 . 1 . . . . 52 LEU HG . 16811 1 578 . 1 1 52 52 LEU C C 13 177.2700 0.25 . 1 . . . . 52 LEU C . 16811 1 579 . 1 1 52 52 LEU CA C 13 56.6410 0.25 . 1 . . . . 52 LEU CA . 16811 1 580 . 1 1 52 52 LEU CB C 13 42.9300 0.25 . 1 . . . . 52 LEU CB . 16811 1 581 . 1 1 52 52 LEU CD1 C 13 23.1000 0.25 . 2 . . . . 52 LEU CD1 . 16811 1 582 . 1 1 52 52 LEU CD2 C 13 26.0300 0.25 . 2 . . . . 52 LEU CD2 . 16811 1 583 . 1 1 52 52 LEU CG C 13 26.0600 0.25 . 1 . . . . 52 LEU CG . 16811 1 584 . 1 1 52 52 LEU N N 15 115.4000 0.13 . 1 . . . . 52 LEU N . 16811 1 585 . 1 1 53 53 SER H H 1 7.4200 0.01 . 1 . . . . 53 SER HN . 16811 1 586 . 1 1 53 53 SER HA H 1 4.5550 0.01 . 1 . . . . 53 SER HA . 16811 1 587 . 1 1 53 53 SER HB2 H 1 3.8950 0.01 . 2 . . . . 53 SER HB1 . 16811 1 588 . 1 1 53 53 SER HB3 H 1 3.5750 0.01 . 2 . . . . 53 SER HB2 . 16811 1 589 . 1 1 53 53 SER HG H 1 5.2550 0.01 . 1 . . . . 53 SER HG . 16811 1 590 . 1 1 53 53 SER C C 13 173.3300 0.25 . 1 . . . . 53 SER C . 16811 1 591 . 1 1 53 53 SER CA C 13 59.6830 0.25 . 1 . . . . 53 SER CA . 16811 1 592 . 1 1 53 53 SER CB C 13 66.4860 0.25 . 1 . . . . 53 SER CB . 16811 1 593 . 1 1 53 53 SER N N 15 108.7000 0.13 . 1 . . . . 53 SER N . 16811 1 594 . 1 1 54 54 GLY H H 1 7.2400 0.01 . 1 . . . . 54 GLY HN . 16811 1 595 . 1 1 54 54 GLY HA2 H 1 3.8510 0.01 . 2 . . . . 54 GLY HA1 . 16811 1 596 . 1 1 54 54 GLY HA3 H 1 3.8510 0.01 . 2 . . . . 54 GLY HA2 . 16811 1 597 . 1 1 54 54 GLY C C 13 169.8200 0.25 . 1 . . . . 54 GLY C . 16811 1 598 . 1 1 54 54 GLY CA C 13 46.6100 0.25 . 1 . . . . 54 GLY CA . 16811 1 599 . 1 1 54 54 GLY N N 15 106.4800 0.13 . 1 . . . . 54 GLY N . 16811 1 600 . 1 1 55 55 ALA H H 1 7.9100 0.01 . 1 . . . . 55 ALA HN . 16811 1 601 . 1 1 55 55 ALA HA H 1 4.5850 0.01 . 1 . . . . 55 ALA HA . 16811 1 602 . 1 1 55 55 ALA HB1 H 1 1.1690 0.01 . 2 . . . . 55 ALA HB# . 16811 1 603 . 1 1 55 55 ALA HB2 H 1 1.1690 0.01 . 2 . . . . 55 ALA HB# . 16811 1 604 . 1 1 55 55 ALA HB3 H 1 1.1690 0.01 . 2 . . . . 55 ALA HB# . 16811 1 605 . 1 1 55 55 ALA C C 13 175.1300 0.25 . 1 . . . . 55 ALA C . 16811 1 606 . 1 1 55 55 ALA CA C 13 49.4350 0.25 . 1 . . . . 55 ALA CA . 16811 1 607 . 1 1 55 55 ALA CB C 13 22.3700 0.25 . 1 . . . . 55 ALA CB . 16811 1 608 . 1 1 55 55 ALA N N 15 123.5300 0.13 . 1 . . . . 55 ALA N . 16811 1 609 . 1 1 56 56 ALA H H 1 8.8900 0.01 . 1 . . . . 56 ALA HN . 16811 1 610 . 1 1 56 56 ALA HA H 1 5.3460 0.01 . 1 . . . . 56 ALA HA . 16811 1 611 . 1 1 56 56 ALA HB1 H 1 1.0390 0.01 . 2 . . . . 56 ALA HB# . 16811 1 612 . 1 1 56 56 ALA HB2 H 1 1.0390 0.01 . 2 . . . . 56 ALA HB# . 16811 1 613 . 1 1 56 56 ALA HB3 H 1 1.0390 0.01 . 2 . . . . 56 ALA HB# . 16811 1 614 . 1 1 56 56 ALA C C 13 177.1700 0.25 . 1 . . . . 56 ALA C . 16811 1 615 . 1 1 56 56 ALA CA C 13 49.5640 0.25 . 1 . . . . 56 ALA CA . 16811 1 616 . 1 1 56 56 ALA CB C 13 23.2200 0.25 . 1 . . . . 56 ALA CB . 16811 1 617 . 1 1 56 56 ALA N N 15 123.4300 0.13 . 1 . . . . 56 ALA N . 16811 1 618 . 1 1 57 57 THR H H 1 8.0900 0.01 . 1 . . . . 57 THR HN . 16811 1 619 . 1 1 57 57 THR HA H 1 4.1630 0.01 . 1 . . . . 57 THR HA . 16811 1 620 . 1 1 57 57 THR HB H 1 3.9840 0.01 . 1 . . . . 57 THR HB . 16811 1 621 . 1 1 57 57 THR HG21 H 1 1.0470 0.01 . 2 . . . . 57 THR HG2# . 16811 1 622 . 1 1 57 57 THR HG22 H 1 1.0470 0.01 . 2 . . . . 57 THR HG2# . 16811 1 623 . 1 1 57 57 THR HG23 H 1 1.0470 0.01 . 2 . . . . 57 THR HG2# . 16811 1 624 . 1 1 57 57 THR C C 13 174.9200 0.25 . 1 . . . . 57 THR C . 16811 1 625 . 1 1 57 57 THR CA C 13 61.7390 0.25 . 1 . . . . 57 THR CA . 16811 1 626 . 1 1 57 57 THR CB C 13 68.9610 0.25 . 1 . . . . 57 THR CB . 16811 1 627 . 1 1 57 57 THR CG2 C 13 23.1800 0.25 . 1 . . . . 57 THR CG2 . 16811 1 628 . 1 1 57 57 THR N N 15 111.4400 0.13 . 1 . . . . 57 THR N . 16811 1 629 . 1 1 58 58 VAL H H 1 7.0200 0.01 . 1 . . . . 58 VAL HN . 16811 1 630 . 1 1 58 58 VAL HA H 1 3.8320 0.01 . 1 . . . . 58 VAL HA . 16811 1 631 . 1 1 58 58 VAL HB H 1 1.6650 0.01 . 1 . . . . 58 VAL HB . 16811 1 632 . 1 1 58 58 VAL HG11 H 1 0.7700 0.01 . 2 . . . . 58 VAL HG1# . 16811 1 633 . 1 1 58 58 VAL HG12 H 1 0.7700 0.01 . 2 . . . . 58 VAL HG1# . 16811 1 634 . 1 1 58 58 VAL HG13 H 1 0.7700 0.01 . 2 . . . . 58 VAL HG1# . 16811 1 635 . 1 1 58 58 VAL HG21 H 1 0.8410 0.01 . 2 . . . . 58 VAL HG2# . 16811 1 636 . 1 1 58 58 VAL HG22 H 1 0.8410 0.01 . 2 . . . . 58 VAL HG2# . 16811 1 637 . 1 1 58 58 VAL HG23 H 1 0.8410 0.01 . 2 . . . . 58 VAL HG2# . 16811 1 638 . 1 1 58 58 VAL C C 13 175.8100 0.25 . 1 . . . . 58 VAL C . 16811 1 639 . 1 1 58 58 VAL CA C 13 63.8250 0.25 . 1 . . . . 58 VAL CA . 16811 1 640 . 1 1 58 58 VAL CB C 13 33.6500 0.25 . 1 . . . . 58 VAL CB . 16811 1 641 . 1 1 58 58 VAL CG1 C 13 22.5400 0.25 . 2 . . . . 58 VAL CG1 . 16811 1 642 . 1 1 58 58 VAL CG2 C 13 21.6500 0.25 . 2 . . . . 58 VAL CG2 . 16811 1 643 . 1 1 58 58 VAL N N 15 119.1000 0.13 . 1 . . . . 58 VAL N . 16811 1 644 . 1 1 59 59 LYS H H 1 7.5000 0.01 . 1 . . . . 59 LYS HN . 16811 1 645 . 1 1 59 59 LYS HA H 1 4.5210 0.01 . 1 . . . . 59 LYS HA . 16811 1 646 . 1 1 59 59 LYS HB2 H 1 1.8330 0.01 . 2 . . . . 59 LYS HB1 . 16811 1 647 . 1 1 59 59 LYS HB3 H 1 1.7120 0.01 . 2 . . . . 59 LYS HB2 . 16811 1 648 . 1 1 59 59 LYS C C 13 176.5000 0.25 . 1 . . . . 59 LYS C . 16811 1 649 . 1 1 59 59 LYS CA C 13 54.2420 0.25 . 1 . . . . 59 LYS CA . 16811 1 650 . 1 1 59 59 LYS CB C 13 33.2000 0.25 . 1 . . . . 59 LYS CB . 16811 1 651 . 1 1 59 59 LYS N N 15 116.8800 0.13 . 1 . . . . 59 LYS N . 16811 1 652 . 1 1 60 60 GLU H H 1 8.6500 0.01 . 1 . . . . 60 GLU HN . 16811 1 653 . 1 1 60 60 GLU HA H 1 4.0780 0.01 . 1 . . . . 60 GLU HA . 16811 1 654 . 1 1 60 60 GLU HB2 H 1 1.9440 0.01 . 2 . . . . 60 GLU HB1 . 16811 1 655 . 1 1 60 60 GLU HB3 H 1 1.8600 0.01 . 2 . . . . 60 GLU HB2 . 16811 1 656 . 1 1 60 60 GLU HG2 H 1 2.2260 0.01 . 2 . . . . 60 GLU HG1 . 16811 1 657 . 1 1 60 60 GLU HG3 H 1 2.2530 0.01 . 2 . . . . 60 GLU HG2 . 16811 1 658 . 1 1 60 60 GLU C C 13 176.5000 0.25 . 1 . . . . 60 GLU C . 16811 1 659 . 1 1 60 60 GLU CA C 13 57.3440 0.25 . 1 . . . . 60 GLU CA . 16811 1 660 . 1 1 60 60 GLU CB C 13 30.3790 0.25 . 1 . . . . 60 GLU CB . 16811 1 661 . 1 1 60 60 GLU CG C 13 36.4500 0.25 . 1 . . . . 60 GLU CG . 16811 1 662 . 1 1 60 60 GLU N N 15 120.9800 0.13 . 1 . . . . 60 GLU N . 16811 1 663 . 1 1 61 61 ASN H H 1 8.6400 0.01 . 1 . . . . 61 ASN HN . 16811 1 664 . 1 1 61 61 ASN HA H 1 4.5060 0.01 . 1 . . . . 61 ASN HA . 16811 1 665 . 1 1 61 61 ASN HB2 H 1 2.8500 0.01 . 2 . . . . 61 ASN HB1 . 16811 1 666 . 1 1 61 61 ASN HB3 H 1 2.8100 0.01 . 2 . . . . 61 ASN HB2 . 16811 1 667 . 1 1 61 61 ASN HD21 H 1 6.8700 0.01 . 2 . . . . 61 ASN HD21 . 16811 1 668 . 1 1 61 61 ASN HD22 H 1 7.5800 0.01 . 2 . . . . 61 ASN HD22 . 16811 1 669 . 1 1 61 61 ASN C C 13 174.5800 0.25 . 1 . . . . 61 ASN C . 16811 1 670 . 1 1 61 61 ASN CA C 13 53.4880 0.25 . 1 . . . . 61 ASN CA . 16811 1 671 . 1 1 61 61 ASN CB C 13 37.4500 0.25 . 1 . . . . 61 ASN CB . 16811 1 672 . 1 1 61 61 ASN N N 15 115.0900 0.13 . 1 . . . . 61 ASN N . 16811 1 673 . 1 1 61 61 ASN ND2 N 15 113.2400 0.13 . 1 . . . . 61 ASN ND2 . 16811 1 674 . 1 1 62 62 GLN H H 1 7.8800 0.01 . 1 . . . . 62 GLN HN . 16811 1 675 . 1 1 62 62 GLN HA H 1 4.2700 0.01 . 1 . . . . 62 GLN HA . 16811 1 676 . 1 1 62 62 GLN HB2 H 1 1.9810 0.01 . 2 . . . . 62 GLN HB1 . 16811 1 677 . 1 1 62 62 GLN HB3 H 1 1.7820 0.01 . 2 . . . . 62 GLN HB2 . 16811 1 678 . 1 1 62 62 GLN HG2 H 1 2.2600 0.01 . 2 . . . . 62 GLN HG1 . 16811 1 679 . 1 1 62 62 GLN HG3 H 1 2.2600 0.01 . 2 . . . . 62 GLN HG2 . 16811 1 680 . 1 1 62 62 GLN C C 13 175.6300 0.25 . 1 . . . . 62 GLN C . 16811 1 681 . 1 1 62 62 GLN CA C 13 56.2500 0.25 . 1 . . . . 62 GLN CA . 16811 1 682 . 1 1 62 62 GLN CB C 13 30.1800 0.25 . 1 . . . . 62 GLN CB . 16811 1 683 . 1 1 62 62 GLN CG C 13 34.6100 0.25 . 1 . . . . 62 GLN CG . 16811 1 684 . 1 1 62 62 GLN N N 15 116.4200 0.13 . 1 . . . . 62 GLN N . 16811 1 685 . 1 1 63 63 VAL H H 1 9.3900 0.01 . 1 . . . . 63 VAL HN . 16811 1 686 . 1 1 63 63 VAL HA H 1 4.2740 0.01 . 1 . . . . 63 VAL HA . 16811 1 687 . 1 1 63 63 VAL HB H 1 1.8250 0.01 . 1 . . . . 63 VAL HB . 16811 1 688 . 1 1 63 63 VAL HG11 H 1 0.8600 0.01 . 2 . . . . 63 VAL HG1# . 16811 1 689 . 1 1 63 63 VAL HG12 H 1 0.8600 0.01 . 2 . . . . 63 VAL HG1# . 16811 1 690 . 1 1 63 63 VAL HG13 H 1 0.8600 0.01 . 2 . . . . 63 VAL HG1# . 16811 1 691 . 1 1 63 63 VAL HG21 H 1 0.8570 0.01 . 2 . . . . 63 VAL HG2# . 16811 1 692 . 1 1 63 63 VAL HG22 H 1 0.8570 0.01 . 2 . . . . 63 VAL HG2# . 16811 1 693 . 1 1 63 63 VAL HG23 H 1 0.8570 0.01 . 2 . . . . 63 VAL HG2# . 16811 1 694 . 1 1 63 63 VAL C C 13 174.6300 0.25 . 1 . . . . 63 VAL C . 16811 1 695 . 1 1 63 63 VAL CA C 13 61.2270 0.25 . 1 . . . . 63 VAL CA . 16811 1 696 . 1 1 63 63 VAL CB C 13 35.3570 0.25 . 1 . . . . 63 VAL CB . 16811 1 697 . 1 1 63 63 VAL CG1 C 13 20.8560 0.25 . 2 . . . . 63 VAL CG1 . 16811 1 698 . 1 1 63 63 VAL CG2 C 13 20.8800 0.25 . 2 . . . . 63 VAL CG2 . 16811 1 699 . 1 1 63 63 VAL N N 15 125.3700 0.13 . 1 . . . . 63 VAL N . 16811 1 700 . 1 1 64 64 MET H H 1 8.5800 0.01 . 1 . . . . 64 MET HN . 16811 1 701 . 1 1 64 64 MET HA H 1 2.6830 0.01 . 1 . . . . 64 MET HA . 16811 1 702 . 1 1 64 64 MET HB2 H 1 0.3050 0.01 . 2 . . . . 64 MET HB1 . 16811 1 703 . 1 1 64 64 MET HB3 H 1 1.2140 0.01 . 2 . . . . 64 MET HB2 . 16811 1 704 . 1 1 64 64 MET HE1 H 1 2.0050 0.01 . 2 . . . . 64 MET HE# . 16811 1 705 . 1 1 64 64 MET HE2 H 1 2.0050 0.01 . 2 . . . . 64 MET HE# . 16811 1 706 . 1 1 64 64 MET HE3 H 1 2.0050 0.01 . 2 . . . . 64 MET HE# . 16811 1 707 . 1 1 64 64 MET HG2 H 1 1.2070 0.01 . 2 . . . . 64 MET HG1 . 16811 1 708 . 1 1 64 64 MET HG3 H 1 2.3580 0.01 . 2 . . . . 64 MET HG2 . 16811 1 709 . 1 1 64 64 MET C C 13 175.4700 0.25 . 1 . . . . 64 MET C . 16811 1 710 . 1 1 64 64 MET CA C 13 59.2840 0.25 . 1 . . . . 64 MET CA . 16811 1 711 . 1 1 64 64 MET CB C 13 31.2000 0.25 . 1 . . . . 64 MET CB . 16811 1 712 . 1 1 64 64 MET CE C 13 17.9880 0.25 . 1 . . . . 64 MET CE . 16811 1 713 . 1 1 64 64 MET CG C 13 34.3400 0.25 . 1 . . . . 64 MET CG . 16811 1 714 . 1 1 64 64 MET N N 15 126.0100 0.13 . 1 . . . . 64 MET N . 16811 1 715 . 1 1 65 65 GLY H H 1 5.8100 0.01 . 1 . . . . 65 GLY HN . 16811 1 716 . 1 1 65 65 GLY HA2 H 1 3.7940 0.01 . 2 . . . . 65 GLY HA1 . 16811 1 717 . 1 1 65 65 GLY HA3 H 1 3.2520 0.01 . 2 . . . . 65 GLY HA2 . 16811 1 718 . 1 1 65 65 GLY C C 13 171.8900 0.25 . 1 . . . . 65 GLY C . 16811 1 719 . 1 1 65 65 GLY CA C 13 45.6100 0.25 . 1 . . . . 65 GLY CA . 16811 1 720 . 1 1 65 65 GLY N N 15 104.5900 0.13 . 1 . . . . 65 GLY N . 16811 1 721 . 1 1 66 66 LYS H H 1 7.6200 0.01 . 1 . . . . 66 LYS HN . 16811 1 722 . 1 1 66 66 LYS HA H 1 4.8870 0.01 . 1 . . . . 66 LYS HA . 16811 1 723 . 1 1 66 66 LYS HB2 H 1 1.6120 0.01 . 2 . . . . 66 LYS HB1 . 16811 1 724 . 1 1 66 66 LYS HB3 H 1 1.5250 0.01 . 2 . . . . 66 LYS HB2 . 16811 1 725 . 1 1 66 66 LYS HD2 H 1 1.5910 0.01 . 2 . . . . 66 LYS HD1 . 16811 1 726 . 1 1 66 66 LYS HD3 H 1 1.6400 0.01 . 2 . . . . 66 LYS HD2 . 16811 1 727 . 1 1 66 66 LYS HE2 H 1 2.9600 0.01 . 2 . . . . 66 LYS HE1 . 16811 1 728 . 1 1 66 66 LYS HE3 H 1 2.9090 0.01 . 2 . . . . 66 LYS HE2 . 16811 1 729 . 1 1 66 66 LYS HG2 H 1 1.2620 0.01 . 2 . . . . 66 LYS HG1 . 16811 1 730 . 1 1 66 66 LYS HG3 H 1 1.1820 0.01 . 2 . . . . 66 LYS HG2 . 16811 1 731 . 1 1 66 66 LYS C C 13 177.0300 0.25 . 1 . . . . 66 LYS C . 16811 1 732 . 1 1 66 66 LYS CA C 13 53.6230 0.25 . 1 . . . . 66 LYS CA . 16811 1 733 . 1 1 66 66 LYS CB C 13 35.7400 0.25 . 1 . . . . 66 LYS CB . 16811 1 734 . 1 1 66 66 LYS CG C 13 24.2121 0.25 . 1 . . . . 66 LYS CG . 16811 1 735 . 1 1 66 66 LYS N N 15 117.0000 0.13 . 1 . . . . 66 LYS N . 16811 1 736 . 1 1 67 67 GLY H H 1 9.1900 0.01 . 1 . . . . 67 GLY HN . 16811 1 737 . 1 1 67 67 GLY HA2 H 1 3.8450 0.01 . 2 . . . . 67 GLY HA1 . 16811 1 738 . 1 1 67 67 GLY HA3 H 1 3.7690 0.01 . 2 . . . . 67 GLY HA2 . 16811 1 739 . 1 1 67 67 GLY C C 13 172.3800 0.25 . 1 . . . . 67 GLY C . 16811 1 740 . 1 1 67 67 GLY CA C 13 45.3900 0.25 . 1 . . . . 67 GLY CA . 16811 1 741 . 1 1 67 67 GLY N N 15 112.0900 0.13 . 1 . . . . 67 GLY N . 16811 1 742 . 1 1 68 68 ASN H H 1 8.6610 0.01 . 1 . . . . 68 ASN HN . 16811 1 743 . 1 1 68 68 ASN HA H 1 4.8510 0.01 . 1 . . . . 68 ASN HA . 16811 1 744 . 1 1 68 68 ASN HB2 H 1 3.0760 0.01 . 2 . . . . 68 ASN HB1 . 16811 1 745 . 1 1 68 68 ASN HB3 H 1 2.4740 0.01 . 2 . . . . 68 ASN HB2 . 16811 1 746 . 1 1 68 68 ASN HD21 H 1 6.3500 0.01 . 2 . . . . 68 ASN HD21 . 16811 1 747 . 1 1 68 68 ASN HD22 H 1 6.8000 0.01 . 2 . . . . 68 ASN HD22 . 16811 1 748 . 1 1 68 68 ASN C C 13 174.4600 0.25 . 1 . . . . 68 ASN C . 16811 1 749 . 1 1 68 68 ASN CA C 13 51.1790 0.25 . 1 . . . . 68 ASN CA . 16811 1 750 . 1 1 68 68 ASN CB C 13 36.8300 0.25 . 1 . . . . 68 ASN CB . 16811 1 751 . 1 1 68 68 ASN N N 15 118.0200 0.13 . 1 . . . . 68 ASN N . 16811 1 752 . 1 1 68 68 ASN ND2 N 15 105.4900 0.13 . 1 . . . . 68 ASN ND2 . 16811 1 753 . 1 1 69 69 TYR H H 1 8.4900 0.01 . 1 . . . . 69 TYR HN . 16811 1 754 . 1 1 69 69 TYR HA H 1 3.9090 0.01 . 1 . . . . 69 TYR HA . 16811 1 755 . 1 1 69 69 TYR HB2 H 1 3.1130 0.01 . 2 . . . . 69 TYR HB1 . 16811 1 756 . 1 1 69 69 TYR HB3 H 1 2.7420 0.01 . 2 . . . . 69 TYR HB2 . 16811 1 757 . 1 1 69 69 TYR HD1 H 1 6.8040 0.01 . 3 . . . . 69 TYR HD1 . 16811 1 758 . 1 1 69 69 TYR HE1 H 1 6.4050 0.01 . 3 . . . . 69 TYR HE1 . 16811 1 759 . 1 1 69 69 TYR C C 13 172.3800 0.25 . 1 . . . . 69 TYR C . 16811 1 760 . 1 1 69 69 TYR CA C 13 59.2500 0.25 . 1 . . . . 69 TYR CA . 16811 1 761 . 1 1 69 69 TYR CB C 13 38.1200 0.25 . 1 . . . . 69 TYR CB . 16811 1 762 . 1 1 69 69 TYR CD1 C 13 133.5460 0.25 . 3 . . . . 69 TYR CD1 . 16811 1 763 . 1 1 69 69 TYR CE1 C 13 118.0300 0.25 . 3 . . . . 69 TYR CE1 . 16811 1 764 . 1 1 69 69 TYR N N 15 129.3100 0.13 . 1 . . . . 69 TYR N . 16811 1 765 . 1 1 70 70 ALA H H 1 6.7300 0.01 . 1 . . . . 70 ALA HN . 16811 1 766 . 1 1 70 70 ALA HA H 1 5.5380 0.01 . 1 . . . . 70 ALA HA . 16811 1 767 . 1 1 70 70 ALA HB1 H 1 1.0930 0.01 . 2 . . . . 70 ALA HB# . 16811 1 768 . 1 1 70 70 ALA HB2 H 1 1.0930 0.01 . 2 . . . . 70 ALA HB# . 16811 1 769 . 1 1 70 70 ALA HB3 H 1 1.0930 0.01 . 2 . . . . 70 ALA HB# . 16811 1 770 . 1 1 70 70 ALA C C 13 177.3600 0.25 . 1 . . . . 70 ALA C . 16811 1 771 . 1 1 70 70 ALA CA C 13 50.4090 0.25 . 1 . . . . 70 ALA CA . 16811 1 772 . 1 1 70 70 ALA CB C 13 20.7800 0.25 . 1 . . . . 70 ALA CB . 16811 1 773 . 1 1 70 70 ALA N N 15 128.9600 0.13 . 1 . . . . 70 ALA N . 16811 1 774 . 1 1 71 71 LEU H H 1 9.3000 0.01 . 1 . . . . 71 LEU HN . 16811 1 775 . 1 1 71 71 LEU HA H 1 5.0480 0.01 . 1 . . . . 71 LEU HA . 16811 1 776 . 1 1 71 71 LEU HB2 H 1 1.8500 0.01 . 2 . . . . 71 LEU HB1 . 16811 1 777 . 1 1 71 71 LEU HB3 H 1 1.2010 0.01 . 2 . . . . 71 LEU HB2 . 16811 1 778 . 1 1 71 71 LEU HD11 H 1 0.7740 0.01 . 2 . . . . 71 LEU HD1# . 16811 1 779 . 1 1 71 71 LEU HD12 H 1 0.7740 0.01 . 2 . . . . 71 LEU HD1# . 16811 1 780 . 1 1 71 71 LEU HD13 H 1 0.7740 0.01 . 2 . . . . 71 LEU HD1# . 16811 1 781 . 1 1 71 71 LEU HD21 H 1 0.8610 0.01 . 2 . . . . 71 LEU HD2# . 16811 1 782 . 1 1 71 71 LEU HD22 H 1 0.8610 0.01 . 2 . . . . 71 LEU HD2# . 16811 1 783 . 1 1 71 71 LEU HD23 H 1 0.8610 0.01 . 2 . . . . 71 LEU HD2# . 16811 1 784 . 1 1 71 71 LEU HG H 1 1.4250 0.01 . 1 . . . . 71 LEU HG . 16811 1 785 . 1 1 71 71 LEU C C 13 173.6500 0.25 . 1 . . . . 71 LEU C . 16811 1 786 . 1 1 71 71 LEU CA C 13 53.0390 0.25 . 1 . . . . 71 LEU CA . 16811 1 787 . 1 1 71 71 LEU CB C 13 48.0980 0.25 . 1 . . . . 71 LEU CB . 16811 1 788 . 1 1 71 71 LEU CD1 C 13 25.5400 0.25 . 2 . . . . 71 LEU CD1 . 16811 1 789 . 1 1 71 71 LEU CD2 C 13 26.9500 0.25 . 2 . . . . 71 LEU CD2 . 16811 1 790 . 1 1 71 71 LEU CG C 13 26.5400 0.25 . 1 . . . . 71 LEU CG . 16811 1 791 . 1 1 71 71 LEU N N 15 124.3700 0.13 . 1 . . . . 71 LEU N . 16811 1 792 . 1 1 72 72 ALA H H 1 9.1200 0.01 . 1 . . . . 72 ALA HN . 16811 1 793 . 1 1 72 72 ALA HA H 1 5.6460 0.01 . 1 . . . . 72 ALA HA . 16811 1 794 . 1 1 72 72 ALA HB1 H 1 1.0850 0.01 . 2 . . . . 72 ALA HB# . 16811 1 795 . 1 1 72 72 ALA HB2 H 1 1.0850 0.01 . 2 . . . . 72 ALA HB# . 16811 1 796 . 1 1 72 72 ALA HB3 H 1 1.0850 0.01 . 2 . . . . 72 ALA HB# . 16811 1 797 . 1 1 72 72 ALA C C 13 175.5200 0.25 . 1 . . . . 72 ALA C . 16811 1 798 . 1 1 72 72 ALA CA C 13 49.0690 0.25 . 1 . . . . 72 ALA CA . 16811 1 799 . 1 1 72 72 ALA CB C 13 22.7200 0.25 . 1 . . . . 72 ALA CB . 16811 1 800 . 1 1 72 72 ALA N N 15 123.1900 0.13 . 1 . . . . 72 ALA N . 16811 1 801 . 1 1 73 73 GLY H H 1 7.6300 0.01 . 1 . . . . 73 GLY HN . 16811 1 802 . 1 1 73 73 GLY HA2 H 1 4.1410 0.01 . 2 . . . . 73 GLY HA1 . 16811 1 803 . 1 1 73 73 GLY HA3 H 1 2.1620 0.01 . 2 . . . . 73 GLY HA2 . 16811 1 804 . 1 1 73 73 GLY C C 13 173.6300 0.25 . 1 . . . . 73 GLY C . 16811 1 805 . 1 1 73 73 GLY CA C 13 43.5700 0.25 . 1 . . . . 73 GLY CA . 16811 1 806 . 1 1 73 73 GLY N N 15 103.2400 0.13 . 1 . . . . 73 GLY N . 16811 1 807 . 1 1 74 74 HIS H H 1 9.1200 0.01 . 1 . . . . 74 HIS HN . 16811 1 808 . 1 1 74 74 HIS HA H 1 4.7600 0.01 . 1 . . . . 74 HIS HA . 16811 1 809 . 1 1 74 74 HIS HB2 H 1 2.8250 0.01 . 2 . . . . 74 HIS HB1 . 16811 1 810 . 1 1 74 74 HIS HB3 H 1 2.6500 0.01 . 2 . . . . 74 HIS HB2 . 16811 1 811 . 1 1 74 74 HIS HD2 H 1 6.7880 0.01 . 1 . . . . 74 HIS HD2 . 16811 1 812 . 1 1 74 74 HIS HE1 H 1 7.5370 0.01 . 1 . . . . 74 HIS HE1 . 16811 1 813 . 1 1 74 74 HIS C C 13 178.5700 0.25 . 1 . . . . 74 HIS C . 16811 1 814 . 1 1 74 74 HIS CA C 13 56.9220 0.25 . 1 . . . . 74 HIS CA . 16811 1 815 . 1 1 74 74 HIS CB C 13 33.0300 0.25 . 1 . . . . 74 HIS CB . 16811 1 816 . 1 1 74 74 HIS CD2 C 13 117.7900 0.25 . 1 . . . . 74 HIS CD2 . 16811 1 817 . 1 1 74 74 HIS CE1 C 13 138.8810 0.25 . 1 . . . . 74 HIS CE1 . 16811 1 818 . 1 1 74 74 HIS N N 15 119.9300 0.13 . 1 . . . . 74 HIS N . 16811 1 819 . 1 1 75 75 ASN HA H 1 4.5000 0.01 . 1 . . . . 75 ASN HA . 16811 1 820 . 1 1 75 75 ASN HB2 H 1 3.1200 0.01 . 2 . . . . 75 ASN HB1 . 16811 1 821 . 1 1 75 75 ASN HB3 H 1 3.2300 0.01 . 2 . . . . 75 ASN HB2 . 16811 1 822 . 1 1 75 75 ASN CA C 13 52.2070 0.25 . 1 . . . . 75 ASN CA . 16811 1 823 . 1 1 75 75 ASN CB C 13 37.6300 0.25 . 1 . . . . 75 ASN CB . 16811 1 824 . 1 1 76 76 MET H H 1 7.6700 0.01 . 1 . . . . 76 MET HN . 16811 1 825 . 1 1 76 76 MET HA H 1 4.7930 0.01 . 1 . . . . 76 MET HA . 16811 1 826 . 1 1 76 76 MET HB2 H 1 2.3030 0.01 . 2 . . . . 76 MET HB1 . 16811 1 827 . 1 1 76 76 MET HB3 H 1 1.4860 0.01 . 2 . . . . 76 MET HB2 . 16811 1 828 . 1 1 76 76 MET HE1 H 1 1.8050 0.01 . 2 . . . . 76 MET HE# . 16811 1 829 . 1 1 76 76 MET HE2 H 1 1.8050 0.01 . 2 . . . . 76 MET HE# . 16811 1 830 . 1 1 76 76 MET HE3 H 1 1.8050 0.01 . 2 . . . . 76 MET HE# . 16811 1 831 . 1 1 76 76 MET HG2 H 1 2.5260 0.01 . 2 . . . . 76 MET HG1 . 16811 1 832 . 1 1 76 76 MET HG3 H 1 2.2340 0.01 . 2 . . . . 76 MET HG2 . 16811 1 833 . 1 1 76 76 MET C C 13 175.5700 0.25 . 1 . . . . 76 MET C . 16811 1 834 . 1 1 76 76 MET CA C 13 52.2160 0.25 . 1 . . . . 76 MET CA . 16811 1 835 . 1 1 76 76 MET CB C 13 30.5700 0.25 . 1 . . . . 76 MET CB . 16811 1 836 . 1 1 76 76 MET CE C 13 15.7300 0.25 . 1 . . . . 76 MET CE . 16811 1 837 . 1 1 76 76 MET CG C 13 32.3200 0.25 . 1 . . . . 76 MET CG . 16811 1 838 . 1 1 76 76 MET N N 15 121.7500 0.13 . 1 . . . . 76 MET N . 16811 1 839 . 1 1 77 77 SER H H 1 8.6500 0.01 . 1 . . . . 77 SER HN . 16811 1 840 . 1 1 77 77 SER HA H 1 4.1620 0.01 . 1 . . . . 77 SER HA . 16811 1 841 . 1 1 77 77 SER CA C 13 58.7400 0.25 . 1 . . . . 77 SER CA . 16811 1 842 . 1 1 77 77 SER N N 15 111.5200 0.13 . 1 . . . . 77 SER N . 16811 1 843 . 1 1 78 78 LYS H H 1 7.2000 0.01 . 1 . . . . 78 LYS HN . 16811 1 844 . 1 1 78 78 LYS HA H 1 4.4940 0.01 . 1 . . . . 78 LYS HA . 16811 1 845 . 1 1 78 78 LYS HB2 H 1 1.4750 0.01 . 2 . . . . 78 LYS HB1 . 16811 1 846 . 1 1 78 78 LYS HB3 H 1 1.3900 0.01 . 2 . . . . 78 LYS HB2 . 16811 1 847 . 1 1 78 78 LYS HG2 H 1 1.3980 0.01 . 2 . . . . 78 LYS HG1 . 16811 1 848 . 1 1 78 78 LYS HG3 H 1 1.3980 0.01 . 2 . . . . 78 LYS HG2 . 16811 1 849 . 1 1 78 78 LYS C C 13 173.5700 0.25 . 1 . . . . 78 LYS C . 16811 1 850 . 1 1 78 78 LYS CA C 13 54.0600 0.25 . 1 . . . . 78 LYS CA . 16811 1 851 . 1 1 78 78 LYS CB C 13 35.4000 0.25 . 1 . . . . 78 LYS CB . 16811 1 852 . 1 1 78 78 LYS CG C 13 24.8600 0.25 . 1 . . . . 78 LYS CG . 16811 1 853 . 1 1 78 78 LYS N N 15 116.6500 0.13 . 1 . . . . 78 LYS N . 16811 1 854 . 1 1 79 79 LYS H H 1 8.1900 0.01 . 1 . . . . 79 LYS HN . 16811 1 855 . 1 1 79 79 LYS HA H 1 4.5050 0.01 . 1 . . . . 79 LYS HA . 16811 1 856 . 1 1 79 79 LYS HB2 H 1 1.7500 0.01 . 2 . . . . 79 LYS HB1 . 16811 1 857 . 1 1 79 79 LYS HB3 H 1 1.6800 0.01 . 2 . . . . 79 LYS HB2 . 16811 1 858 . 1 1 79 79 LYS HD2 H 1 1.4980 0.01 . 2 . . . . 79 LYS HD1 . 16811 1 859 . 1 1 79 79 LYS HD3 H 1 1.4980 0.01 . 2 . . . . 79 LYS HD2 . 16811 1 860 . 1 1 79 79 LYS HG2 H 1 1.3170 0.01 . 2 . . . . 79 LYS HG2 . 16811 1 861 . 1 1 79 79 LYS C C 13 178.4100 0.25 . 1 . . . . 79 LYS C . 16811 1 862 . 1 1 79 79 LYS CA C 13 57.4940 0.25 . 1 . . . . 79 LYS CA . 16811 1 863 . 1 1 79 79 LYS CB C 13 32.2100 0.25 . 1 . . . . 79 LYS CB . 16811 1 864 . 1 1 79 79 LYS CG C 13 24.4600 0.25 . 1 . . . . 79 LYS CG . 16811 1 865 . 1 1 79 79 LYS N N 15 125.8800 0.13 . 1 . . . . 79 LYS N . 16811 1 866 . 1 1 80 80 GLY H H 1 10.0300 0.01 . 1 . . . . 80 GLY HN . 16811 1 867 . 1 1 80 80 GLY HA2 H 1 4.0380 0.01 . 2 . . . . 80 GLY HA1 . 16811 1 868 . 1 1 80 80 GLY HA3 H 1 4.0380 0.01 . 2 . . . . 80 GLY HA2 . 16811 1 869 . 1 1 80 80 GLY C C 13 174.6200 0.25 . 1 . . . . 80 GLY C . 16811 1 870 . 1 1 80 80 GLY CA C 13 45.5190 0.25 . 1 . . . . 80 GLY CA . 16811 1 871 . 1 1 80 80 GLY N N 15 114.9700 0.13 . 1 . . . . 80 GLY N . 16811 1 872 . 1 1 81 81 VAL H H 1 7.8700 0.01 . 1 . . . . 81 VAL HN . 16811 1 873 . 1 1 81 81 VAL HA H 1 4.2890 0.01 . 1 . . . . 81 VAL HA . 16811 1 874 . 1 1 81 81 VAL HB H 1 2.0330 0.01 . 1 . . . . 81 VAL HB . 16811 1 875 . 1 1 81 81 VAL HG11 H 1 0.7680 0.01 . 2 . . . . 81 VAL HG1# . 16811 1 876 . 1 1 81 81 VAL HG12 H 1 0.7680 0.01 . 2 . . . . 81 VAL HG1# . 16811 1 877 . 1 1 81 81 VAL HG13 H 1 0.7680 0.01 . 2 . . . . 81 VAL HG1# . 16811 1 878 . 1 1 81 81 VAL HG21 H 1 0.8750 0.01 . 2 . . . . 81 VAL HG2# . 16811 1 879 . 1 1 81 81 VAL HG22 H 1 0.8750 0.01 . 2 . . . . 81 VAL HG2# . 16811 1 880 . 1 1 81 81 VAL HG23 H 1 0.8750 0.01 . 2 . . . . 81 VAL HG2# . 16811 1 881 . 1 1 81 81 VAL C C 13 176.0100 0.25 . 1 . . . . 81 VAL C . 16811 1 882 . 1 1 81 81 VAL CA C 13 61.4320 0.25 . 1 . . . . 81 VAL CA . 16811 1 883 . 1 1 81 81 VAL CB C 13 32.4610 0.25 . 1 . . . . 81 VAL CB . 16811 1 884 . 1 1 81 81 VAL CG1 C 13 21.1700 0.25 . 2 . . . . 81 VAL CG1 . 16811 1 885 . 1 1 81 81 VAL CG2 C 13 22.3700 0.25 . 2 . . . . 81 VAL CG2 . 16811 1 886 . 1 1 81 81 VAL N N 15 119.1400 0.13 . 1 . . . . 81 VAL N . 16811 1 887 . 1 1 82 82 LEU H H 1 9.9600 0.01 . 1 . . . . 82 LEU HN . 16811 1 888 . 1 1 82 82 LEU HA H 1 3.7700 0.01 . 1 . . . . 82 LEU HA . 16811 1 889 . 1 1 82 82 LEU HB2 H 1 2.0920 0.01 . 2 . . . . 82 LEU HB1 . 16811 1 890 . 1 1 82 82 LEU HB3 H 1 1.6120 0.01 . 2 . . . . 82 LEU HB2 . 16811 1 891 . 1 1 82 82 LEU HD11 H 1 0.7780 0.01 . 2 . . . . 82 LEU HD1# . 16811 1 892 . 1 1 82 82 LEU HD12 H 1 0.7780 0.01 . 2 . . . . 82 LEU HD1# . 16811 1 893 . 1 1 82 82 LEU HD13 H 1 0.7780 0.01 . 2 . . . . 82 LEU HD1# . 16811 1 894 . 1 1 82 82 LEU HG H 1 1.1930 0.01 . 1 . . . . 82 LEU HG . 16811 1 895 . 1 1 82 82 LEU C C 13 175.6300 0.25 . 1 . . . . 82 LEU C . 16811 1 896 . 1 1 82 82 LEU CA C 13 57.2450 0.25 . 1 . . . . 82 LEU CA . 16811 1 897 . 1 1 82 82 LEU CB C 13 38.7000 0.25 . 1 . . . . 82 LEU CB . 16811 1 898 . 1 1 82 82 LEU CD1 C 13 20.6700 0.25 . 2 . . . . 82 LEU CD1 . 16811 1 899 . 1 1 82 82 LEU CG C 13 26.4400 0.25 . 1 . . . . 82 LEU CG . 16811 1 900 . 1 1 82 82 LEU N N 15 129.3700 0.13 . 1 . . . . 82 LEU N . 16811 1 901 . 1 1 83 83 PHE H H 1 8.8800 0.01 . 1 . . . . 83 PHE HN . 16811 1 902 . 1 1 83 83 PHE HA H 1 5.0500 0.01 . 1 . . . . 83 PHE HA . 16811 1 903 . 1 1 83 83 PHE HB2 H 1 2.6670 0.01 . 2 . . . . 83 PHE HB1 . 16811 1 904 . 1 1 83 83 PHE HB3 H 1 3.6870 0.01 . 2 . . . . 83 PHE HB2 . 16811 1 905 . 1 1 83 83 PHE HD1 H 1 6.9070 0.01 . 3 . . . . 83 PHE HD1 . 16811 1 906 . 1 1 83 83 PHE HE1 H 1 7.0090 0.01 . 3 . . . . 83 PHE HE1 . 16811 1 907 . 1 1 83 83 PHE HZ H 1 6.7400 0.01 . 1 . . . . 83 PHE HZ . 16811 1 908 . 1 1 83 83 PHE C C 13 175.9800 0.25 . 1 . . . . 83 PHE C . 16811 1 909 . 1 1 83 83 PHE CA C 13 53.9510 0.25 . 1 . . . . 83 PHE CA . 16811 1 910 . 1 1 83 83 PHE CB C 13 36.0400 0.25 . 1 . . . . 83 PHE CB . 16811 1 911 . 1 1 83 83 PHE CD1 C 13 129.5000 0.25 . 3 . . . . 83 PHE CD1 . 16811 1 912 . 1 1 83 83 PHE CE1 C 13 129.0200 0.25 . 3 . . . . 83 PHE CE1 . 16811 1 913 . 1 1 83 83 PHE CZ C 13 128.5490 0.25 . 1 . . . . 83 PHE CZ . 16811 1 914 . 1 1 83 83 PHE N N 15 122.5600 0.13 . 1 . . . . 83 PHE N . 16811 1 915 . 1 1 84 84 SER H H 1 8.4400 0.01 . 1 . . . . 84 SER HN . 16811 1 916 . 1 1 84 84 SER HA H 1 4.7100 0.01 . 1 . . . . 84 SER HA . 16811 1 917 . 1 1 84 84 SER HB2 H 1 3.8510 0.01 . 2 . . . . 84 SER HB1 . 16811 1 918 . 1 1 84 84 SER HB3 H 1 3.7380 0.01 . 2 . . . . 84 SER HB2 . 16811 1 919 . 1 1 84 84 SER C C 13 174.8500 0.25 . 1 . . . . 84 SER C . 16811 1 920 . 1 1 84 84 SER CA C 13 62.6800 0.25 . 1 . . . . 84 SER CA . 16811 1 921 . 1 1 84 84 SER CB C 13 64.2000 0.25 . 1 . . . . 84 SER CB . 16811 1 922 . 1 1 84 84 SER N N 15 114.6000 0.13 . 1 . . . . 84 SER N . 16811 1 923 . 1 1 85 85 ASP H H 1 9.6000 0.01 . 1 . . . . 85 ASP HN . 16811 1 924 . 1 1 85 85 ASP HA H 1 4.8790 0.01 . 1 . . . . 85 ASP HA . 16811 1 925 . 1 1 85 85 ASP HB2 H 1 2.2180 0.01 . 2 . . . . 85 ASP HB1 . 16811 1 926 . 1 1 85 85 ASP HB3 H 1 2.7970 0.01 . 2 . . . . 85 ASP HB2 . 16811 1 927 . 1 1 85 85 ASP C C 13 178.2400 0.25 . 1 . . . . 85 ASP C . 16811 1 928 . 1 1 85 85 ASP CA C 13 54.4400 0.25 . 1 . . . . 85 ASP CA . 16811 1 929 . 1 1 85 85 ASP CB C 13 42.0900 0.25 . 1 . . . . 85 ASP CB . 16811 1 930 . 1 1 85 85 ASP N N 15 115.7300 0.13 . 1 . . . . 85 ASP N . 16811 1 931 . 1 1 86 86 ILE H H 1 6.9600 0.01 . 1 . . . . 86 ILE HN . 16811 1 932 . 1 1 86 86 ILE HA H 1 3.5700 0.01 . 1 . . . . 86 ILE HA . 16811 1 933 . 1 1 86 86 ILE HB H 1 1.5840 0.01 . 1 . . . . 86 ILE HB . 16811 1 934 . 1 1 86 86 ILE HD11 H 1 0.2790 0.01 . 2 . . . . 86 ILE HD1# . 16811 1 935 . 1 1 86 86 ILE HD12 H 1 0.2790 0.01 . 2 . . . . 86 ILE HD1# . 16811 1 936 . 1 1 86 86 ILE HD13 H 1 0.2790 0.01 . 2 . . . . 86 ILE HD1# . 16811 1 937 . 1 1 86 86 ILE HG12 H 1 1.2790 0.01 . 2 . . . . 86 ILE HG11 . 16811 1 938 . 1 1 86 86 ILE HG13 H 1 0.9150 0.01 . 2 . . . . 86 ILE HG12 . 16811 1 939 . 1 1 86 86 ILE HG21 H 1 0.1840 0.01 . 2 . . . . 86 ILE HG2# . 16811 1 940 . 1 1 86 86 ILE HG22 H 1 0.1840 0.01 . 2 . . . . 86 ILE HG2# . 16811 1 941 . 1 1 86 86 ILE HG23 H 1 0.1840 0.01 . 2 . . . . 86 ILE HG2# . 16811 1 942 . 1 1 86 86 ILE C C 13 175.3000 0.25 . 1 . . . . 86 ILE C . 16811 1 943 . 1 1 86 86 ILE CA C 13 65.4180 0.25 . 1 . . . . 86 ILE CA . 16811 1 944 . 1 1 86 86 ILE CB C 13 37.4000 0.25 . 1 . . . . 86 ILE CB . 16811 1 945 . 1 1 86 86 ILE CD1 C 13 14.9200 0.25 . 1 . . . . 86 ILE CD1 . 16811 1 946 . 1 1 86 86 ILE CG1 C 13 24.6500 0.25 . 1 . . . . 86 ILE CG1 . 16811 1 947 . 1 1 86 86 ILE CG2 C 13 17.0600 0.25 . 1 . . . . 86 ILE CG2 . 16811 1 948 . 1 1 86 86 ILE N N 15 113.7900 0.13 . 1 . . . . 86 ILE N . 16811 1 949 . 1 1 87 87 ALA H H 1 7.8600 0.01 . 1 . . . . 87 ALA HN . 16811 1 950 . 1 1 87 87 ALA HA H 1 3.6170 0.01 . 1 . . . . 87 ALA HA . 16811 1 951 . 1 1 87 87 ALA HB1 H 1 0.4550 0.01 . 2 . . . . 87 ALA HB# . 16811 1 952 . 1 1 87 87 ALA HB2 H 1 0.4550 0.01 . 2 . . . . 87 ALA HB# . 16811 1 953 . 1 1 87 87 ALA HB3 H 1 0.4550 0.01 . 2 . . . . 87 ALA HB# . 16811 1 954 . 1 1 87 87 ALA C C 13 177.2300 0.25 . 1 . . . . 87 ALA C . 16811 1 955 . 1 1 87 87 ALA CA C 13 52.9620 0.25 . 1 . . . . 87 ALA CA . 16811 1 956 . 1 1 87 87 ALA CB C 13 16.4900 0.25 . 1 . . . . 87 ALA CB . 16811 1 957 . 1 1 87 87 ALA N N 15 119.8500 0.13 . 1 . . . . 87 ALA N . 16811 1 958 . 1 1 88 88 SER H H 1 7.5600 0.01 . 1 . . . . 88 SER HN . 16811 1 959 . 1 1 88 88 SER HA H 1 4.3440 0.01 . 1 . . . . 88 SER HA . 16811 1 960 . 1 1 88 88 SER HB2 H 1 3.6870 0.01 . 2 . . . . 88 SER HB1 . 16811 1 961 . 1 1 88 88 SER HB3 H 1 3.6230 0.01 . 2 . . . . 88 SER HB2 . 16811 1 962 . 1 1 88 88 SER C C 13 174.2700 0.25 . 1 . . . . 88 SER C . 16811 1 963 . 1 1 88 88 SER CA C 13 57.9010 0.25 . 1 . . . . 88 SER CA . 16811 1 964 . 1 1 88 88 SER CB C 13 63.9520 0.25 . 1 . . . . 88 SER CB . 16811 1 965 . 1 1 88 88 SER N N 15 111.5200 0.13 . 1 . . . . 88 SER N . 16811 1 966 . 1 1 89 89 LEU H H 1 7.0500 0.01 . 1 . . . . 89 LEU HN . 16811 1 967 . 1 1 89 89 LEU HA H 1 4.0800 0.01 . 1 . . . . 89 LEU HA . 16811 1 968 . 1 1 89 89 LEU HB2 H 1 1.2370 0.01 . 2 . . . . 89 LEU HB1 . 16811 1 969 . 1 1 89 89 LEU HB3 H 1 1.7030 0.01 . 2 . . . . 89 LEU HB2 . 16811 1 970 . 1 1 89 89 LEU HD11 H 1 0.7540 0.01 . 2 . . . . 89 LEU HD1# . 16811 1 971 . 1 1 89 89 LEU HD12 H 1 0.7540 0.01 . 2 . . . . 89 LEU HD1# . 16811 1 972 . 1 1 89 89 LEU HD13 H 1 0.7540 0.01 . 2 . . . . 89 LEU HD1# . 16811 1 973 . 1 1 89 89 LEU HD21 H 1 0.7730 0.01 . 2 . . . . 89 LEU HD2# . 16811 1 974 . 1 1 89 89 LEU HD22 H 1 0.7730 0.01 . 2 . . . . 89 LEU HD2# . 16811 1 975 . 1 1 89 89 LEU HD23 H 1 0.7730 0.01 . 2 . . . . 89 LEU HD2# . 16811 1 976 . 1 1 89 89 LEU HG H 1 1.6910 0.01 . 1 . . . . 89 LEU HG . 16811 1 977 . 1 1 89 89 LEU C C 13 174.4300 0.25 . 1 . . . . 89 LEU C . 16811 1 978 . 1 1 89 89 LEU CA C 13 55.5600 0.25 . 1 . . . . 89 LEU CA . 16811 1 979 . 1 1 89 89 LEU CB C 13 42.4500 0.25 . 1 . . . . 89 LEU CB . 16811 1 980 . 1 1 89 89 LEU CD1 C 13 26.2700 0.25 . 2 . . . . 89 LEU CD1 . 16811 1 981 . 1 1 89 89 LEU CD2 C 13 24.2500 0.25 . 2 . . . . 89 LEU CD2 . 16811 1 982 . 1 1 89 89 LEU CG C 13 27.6200 0.25 . 1 . . . . 89 LEU CG . 16811 1 983 . 1 1 89 89 LEU N N 15 122.0100 0.13 . 1 . . . . 89 LEU N . 16811 1 984 . 1 1 90 90 LYS H H 1 8.6500 0.01 . 1 . . . . 90 LYS HN . 16811 1 985 . 1 1 90 90 LYS HA H 1 4.4520 0.01 . 1 . . . . 90 LYS HA . 16811 1 986 . 1 1 90 90 LYS HB2 H 1 1.6500 0.01 . 2 . . . . 90 LYS HB1 . 16811 1 987 . 1 1 90 90 LYS HB3 H 1 1.6500 0.01 . 2 . . . . 90 LYS HB2 . 16811 1 988 . 1 1 90 90 LYS HG2 H 1 1.4030 0.01 . 2 . . . . 90 LYS HG1 . 16811 1 989 . 1 1 90 90 LYS HG3 H 1 1.3280 0.01 . 2 . . . . 90 LYS HG2 . 16811 1 990 . 1 1 90 90 LYS C C 13 175.5100 0.25 . 1 . . . . 90 LYS C . 16811 1 991 . 1 1 90 90 LYS CA C 13 53.3840 0.25 . 1 . . . . 90 LYS CA . 16811 1 992 . 1 1 90 90 LYS CB C 13 35.7400 0.25 . 1 . . . . 90 LYS CB . 16811 1 993 . 1 1 90 90 LYS CG C 13 23.9200 0.25 . 1 . . . . 90 LYS CG . 16811 1 994 . 1 1 90 90 LYS N N 15 117.8800 0.13 . 1 . . . . 90 LYS N . 16811 1 995 . 1 1 91 91 LYS H H 1 8.2600 0.01 . 1 . . . . 91 LYS HN . 16811 1 996 . 1 1 91 91 LYS HA H 1 3.5640 0.01 . 1 . . . . 91 LYS HA . 16811 1 997 . 1 1 91 91 LYS HB2 H 1 1.6300 0.01 . 2 . . . . 91 LYS HB1 . 16811 1 998 . 1 1 91 91 LYS HB3 H 1 1.6300 0.01 . 2 . . . . 91 LYS HB2 . 16811 1 999 . 1 1 91 91 LYS HD2 H 1 1.6800 0.01 . 2 . . . . 91 LYS HD1 . 16811 1 1000 . 1 1 91 91 LYS HD3 H 1 1.6800 0.01 . 2 . . . . 91 LYS HD2 . 16811 1 1001 . 1 1 91 91 LYS HE2 H 1 2.9900 0.01 . 2 . . . . 91 LYS HE2 . 16811 1 1002 . 1 1 91 91 LYS HG2 H 1 1.4640 0.01 . 2 . . . . 91 LYS HG1 . 16811 1 1003 . 1 1 91 91 LYS HG3 H 1 1.2250 0.01 . 2 . . . . 91 LYS HG2 . 16811 1 1004 . 1 1 91 91 LYS C C 13 177.5400 0.25 . 1 . . . . 91 LYS C . 16811 1 1005 . 1 1 91 91 LYS CA C 13 58.1450 0.25 . 1 . . . . 91 LYS CA . 16811 1 1006 . 1 1 91 91 LYS CB C 13 32.1800 0.25 . 1 . . . . 91 LYS CB . 16811 1 1007 . 1 1 91 91 LYS CD C 13 29.4400 0.25 . 1 . . . . 91 LYS CD . 16811 1 1008 . 1 1 91 91 LYS CE C 13 41.7100 0.25 . 1 . . . . 91 LYS CE . 16811 1 1009 . 1 1 91 91 LYS CG C 13 24.9900 0.25 . 1 . . . . 91 LYS CG . 16811 1 1010 . 1 1 91 91 LYS N N 15 119.3800 0.13 . 1 . . . . 91 LYS N . 16811 1 1011 . 1 1 92 92 GLY H H 1 9.2100 0.01 . 1 . . . . 92 GLY HN . 16811 1 1012 . 1 1 92 92 GLY HA2 H 1 3.4500 0.01 . 2 . . . . 92 GLY HA1 . 16811 1 1013 . 1 1 92 92 GLY HA3 H 1 4.4220 0.01 . 2 . . . . 92 GLY HA2 . 16811 1 1014 . 1 1 92 92 GLY C C 13 174.4300 0.25 . 1 . . . . 92 GLY C . 16811 1 1015 . 1 1 92 92 GLY CA C 13 44.7100 0.25 . 1 . . . . 92 GLY CA . 16811 1 1016 . 1 1 92 92 GLY N N 15 114.9400 0.13 . 1 . . . . 92 GLY N . 16811 1 1017 . 1 1 93 93 ASP H H 1 8.2500 0.01 . 1 . . . . 93 ASP HN . 16811 1 1018 . 1 1 93 93 ASP HA H 1 4.5510 0.01 . 1 . . . . 93 ASP HA . 16811 1 1019 . 1 1 93 93 ASP HB2 H 1 2.4400 0.01 . 2 . . . . 93 ASP HB1 . 16811 1 1020 . 1 1 93 93 ASP HB3 H 1 2.7150 0.01 . 2 . . . . 93 ASP HB2 . 16811 1 1021 . 1 1 93 93 ASP C C 13 175.4700 0.25 . 1 . . . . 93 ASP C . 16811 1 1022 . 1 1 93 93 ASP CA C 13 55.7230 0.25 . 1 . . . . 93 ASP CA . 16811 1 1023 . 1 1 93 93 ASP CB C 13 41.2500 0.25 . 1 . . . . 93 ASP CB . 16811 1 1024 . 1 1 93 93 ASP N N 15 122.1900 0.13 . 1 . . . . 93 ASP N . 16811 1 1025 . 1 1 94 94 LYS H H 1 8.0400 0.01 . 1 . . . . 94 LYS HN . 16811 1 1026 . 1 1 94 94 LYS HA H 1 5.0220 0.01 . 1 . . . . 94 LYS HA . 16811 1 1027 . 1 1 94 94 LYS HB2 H 1 1.7540 0.01 . 2 . . . . 94 LYS HB1 . 16811 1 1028 . 1 1 94 94 LYS HB3 H 1 1.2530 0.01 . 2 . . . . 94 LYS HB2 . 16811 1 1029 . 1 1 94 94 LYS HD2 H 1 1.5300 0.01 . 2 . . . . 94 LYS HD1 . 16811 1 1030 . 1 1 94 94 LYS HD3 H 1 1.5300 0.01 . 2 . . . . 94 LYS HD2 . 16811 1 1031 . 1 1 94 94 LYS HE2 H 1 2.9400 0.01 . 2 . . . . 94 LYS HE1 . 16811 1 1032 . 1 1 94 94 LYS HE3 H 1 2.9400 0.01 . 2 . . . . 94 LYS HE2 . 16811 1 1033 . 1 1 94 94 LYS HG2 H 1 1.6300 0.01 . 2 . . . . 94 LYS HG1 . 16811 1 1034 . 1 1 94 94 LYS HG3 H 1 1.6300 0.01 . 2 . . . . 94 LYS HG2 . 16811 1 1035 . 1 1 94 94 LYS C C 13 176.3300 0.25 . 1 . . . . 94 LYS C . 16811 1 1036 . 1 1 94 94 LYS CA C 13 54.6630 0.25 . 1 . . . . 94 LYS CA . 16811 1 1037 . 1 1 94 94 LYS CB C 13 34.7700 0.25 . 1 . . . . 94 LYS CB . 16811 1 1038 . 1 1 94 94 LYS CE C 13 42.3800 0.25 . 1 . . . . 94 LYS CE . 16811 1 1039 . 1 1 94 94 LYS N N 15 117.6200 0.13 . 1 . . . . 94 LYS N . 16811 1 1040 . 1 1 95 95 ILE H H 1 8.4600 0.01 . 1 . . . . 95 ILE HN . 16811 1 1041 . 1 1 95 95 ILE HA H 1 4.2890 0.01 . 1 . . . . 95 ILE HA . 16811 1 1042 . 1 1 95 95 ILE HB H 1 1.2890 0.01 . 1 . . . . 95 ILE HB . 16811 1 1043 . 1 1 95 95 ILE HD11 H 1 0.4280 0.01 . 2 . . . . 95 ILE HD1# . 16811 1 1044 . 1 1 95 95 ILE HD12 H 1 0.4280 0.01 . 2 . . . . 95 ILE HD1# . 16811 1 1045 . 1 1 95 95 ILE HD13 H 1 0.4280 0.01 . 2 . . . . 95 ILE HD1# . 16811 1 1046 . 1 1 95 95 ILE HG12 H 1 1.4000 0.01 . 2 . . . . 95 ILE HG11 . 16811 1 1047 . 1 1 95 95 ILE HG13 H 1 1.4000 0.01 . 2 . . . . 95 ILE HG12 . 16811 1 1048 . 1 1 95 95 ILE HG21 H 1 0.6900 0.01 . 2 . . . . 95 ILE HG2# . 16811 1 1049 . 1 1 95 95 ILE HG22 H 1 0.6900 0.01 . 2 . . . . 95 ILE HG2# . 16811 1 1050 . 1 1 95 95 ILE HG23 H 1 0.6900 0.01 . 2 . . . . 95 ILE HG2# . 16811 1 1051 . 1 1 95 95 ILE C C 13 173.3600 0.25 . 1 . . . . 95 ILE C . 16811 1 1052 . 1 1 95 95 ILE CA C 13 60.6090 0.25 . 1 . . . . 95 ILE CA . 16811 1 1053 . 1 1 95 95 ILE CB C 13 42.7200 0.25 . 1 . . . . 95 ILE CB . 16811 1 1054 . 1 1 95 95 ILE CD1 C 13 15.0600 0.25 . 1 . . . . 95 ILE CD1 . 16811 1 1055 . 1 1 95 95 ILE CG2 C 13 17.4700 0.25 . 1 . . . . 95 ILE CG2 . 16811 1 1056 . 1 1 95 95 ILE N N 15 120.4100 0.13 . 1 . . . . 95 ILE N . 16811 1 1057 . 1 1 96 96 TYR H H 1 9.2700 0.01 . 1 . . . . 96 TYR HN . 16811 1 1058 . 1 1 96 96 TYR HA H 1 5.5900 0.01 . 1 . . . . 96 TYR HA . 16811 1 1059 . 1 1 96 96 TYR HB2 H 1 2.9350 0.01 . 2 . . . . 96 TYR HB1 . 16811 1 1060 . 1 1 96 96 TYR HB3 H 1 2.5220 0.01 . 2 . . . . 96 TYR HB2 . 16811 1 1061 . 1 1 96 96 TYR HD1 H 1 6.8220 0.01 . 3 . . . . 96 TYR HD1 . 16811 1 1062 . 1 1 96 96 TYR HE1 H 1 6.5710 0.01 . 3 . . . . 96 TYR HE1 . 16811 1 1063 . 1 1 96 96 TYR C C 13 174.7800 0.25 . 1 . . . . 96 TYR C . 16811 1 1064 . 1 1 96 96 TYR CA C 13 56.2870 0.25 . 1 . . . . 96 TYR CA . 16811 1 1065 . 1 1 96 96 TYR CB C 13 42.0500 0.25 . 1 . . . . 96 TYR CB . 16811 1 1066 . 1 1 96 96 TYR CD1 C 13 132.7700 0.25 . 3 . . . . 96 TYR CD1 . 16811 1 1067 . 1 1 96 96 TYR CE1 C 13 117.8400 0.25 . 3 . . . . 96 TYR CE1 . 16811 1 1068 . 1 1 96 96 TYR N N 15 124.3000 0.13 . 1 . . . . 96 TYR N . 16811 1 1069 . 1 1 97 97 LEU H H 1 9.1800 0.01 . 1 . . . . 97 LEU HN . 16811 1 1070 . 1 1 97 97 LEU HA H 1 5.4060 0.01 . 1 . . . . 97 LEU HA . 16811 1 1071 . 1 1 97 97 LEU HB2 H 1 1.9370 0.01 . 2 . . . . 97 LEU HB1 . 16811 1 1072 . 1 1 97 97 LEU HB3 H 1 1.6260 0.01 . 2 . . . . 97 LEU HB2 . 16811 1 1073 . 1 1 97 97 LEU HD11 H 1 0.5220 0.01 . 2 . . . . 97 LEU HD1# . 16811 1 1074 . 1 1 97 97 LEU HD12 H 1 0.5220 0.01 . 2 . . . . 97 LEU HD1# . 16811 1 1075 . 1 1 97 97 LEU HD13 H 1 0.5220 0.01 . 2 . . . . 97 LEU HD1# . 16811 1 1076 . 1 1 97 97 LEU HD21 H 1 0.7030 0.01 . 2 . . . . 97 LEU HD2# . 16811 1 1077 . 1 1 97 97 LEU HD22 H 1 0.7030 0.01 . 2 . . . . 97 LEU HD2# . 16811 1 1078 . 1 1 97 97 LEU HD23 H 1 0.7030 0.01 . 2 . . . . 97 LEU HD2# . 16811 1 1079 . 1 1 97 97 LEU C C 13 175.1100 0.25 . 1 . . . . 97 LEU C . 16811 1 1080 . 1 1 97 97 LEU CA C 13 52.5660 0.25 . 1 . . . . 97 LEU CA . 16811 1 1081 . 1 1 97 97 LEU CB C 13 46.3500 0.25 . 1 . . . . 97 LEU CB . 16811 1 1082 . 1 1 97 97 LEU CD1 C 13 26.4000 0.25 . 2 . . . . 97 LEU CD1 . 16811 1 1083 . 1 1 97 97 LEU CD2 C 13 24.2200 0.25 . 2 . . . . 97 LEU CD2 . 16811 1 1084 . 1 1 97 97 LEU N N 15 121.8900 0.13 . 1 . . . . 97 LEU N . 16811 1 1085 . 1 1 98 98 TYR H H 1 8.8900 0.01 . 1 . . . . 98 TYR HN . 16811 1 1086 . 1 1 98 98 TYR HA H 1 5.6290 0.01 . 1 . . . . 98 TYR HA . 16811 1 1087 . 1 1 98 98 TYR HB2 H 1 2.6860 0.01 . 2 . . . . 98 TYR HB1 . 16811 1 1088 . 1 1 98 98 TYR HB3 H 1 3.1700 0.01 . 2 . . . . 98 TYR HB2 . 16811 1 1089 . 1 1 98 98 TYR HD1 H 1 6.9030 0.01 . 3 . . . . 98 TYR HD1 . 16811 1 1090 . 1 1 98 98 TYR HE1 H 1 6.6950 0.01 . 3 . . . . 98 TYR HE1 . 16811 1 1091 . 1 1 98 98 TYR C C 13 176.3600 0.25 . 1 . . . . 98 TYR C . 16811 1 1092 . 1 1 98 98 TYR CA C 13 56.7840 0.25 . 1 . . . . 98 TYR CA . 16811 1 1093 . 1 1 98 98 TYR CB C 13 42.4500 0.25 . 1 . . . . 98 TYR CB . 16811 1 1094 . 1 1 98 98 TYR CD1 C 13 132.8800 0.25 . 3 . . . . 98 TYR CD1 . 16811 1 1095 . 1 1 98 98 TYR CE1 C 13 119.0000 0.25 . 3 . . . . 98 TYR CE1 . 16811 1 1096 . 1 1 98 98 TYR N N 15 117.8400 0.13 . 1 . . . . 98 TYR N . 16811 1 1097 . 1 1 99 99 ASP H H 1 8.1300 0.01 . 1 . . . . 99 ASP HN . 16811 1 1098 . 1 1 99 99 ASP HA H 1 5.0300 0.01 . 1 . . . . 99 ASP HA . 16811 1 1099 . 1 1 99 99 ASP HB2 H 1 3.5770 0.01 . 2 . . . . 99 ASP HB1 . 16811 1 1100 . 1 1 99 99 ASP HB3 H 1 3.4320 0.01 . 2 . . . . 99 ASP HB2 . 16811 1 1101 . 1 1 99 99 ASP C C 13 176.8500 0.25 . 1 . . . . 99 ASP C . 16811 1 1102 . 1 1 99 99 ASP CA C 13 52.4910 0.25 . 1 . . . . 99 ASP CA . 16811 1 1103 . 1 1 99 99 ASP CB C 13 40.7500 0.25 . 1 . . . . 99 ASP CB . 16811 1 1104 . 1 1 99 99 ASP N N 15 121.8100 0.13 . 1 . . . . 99 ASP N . 16811 1 1105 . 1 1 100 100 ASN H H 1 8.4100 0.01 . 1 . . . . 100 ASN HN . 16811 1 1106 . 1 1 100 100 ASN HA H 1 4.5530 0.01 . 1 . . . . 100 ASN HA . 16811 1 1107 . 1 1 100 100 ASN HB2 H 1 2.8920 0.01 . 2 . . . . 100 ASN HB1 . 16811 1 1108 . 1 1 100 100 ASN HB3 H 1 2.8650 0.01 . 2 . . . . 100 ASN HB2 . 16811 1 1109 . 1 1 100 100 ASN HD21 H 1 6.8000 0.01 . 2 . . . . 100 ASN HD21 . 16811 1 1110 . 1 1 100 100 ASN HD22 H 1 7.4600 0.01 . 2 . . . . 100 ASN HD22 . 16811 1 1111 . 1 1 100 100 ASN C C 13 175.4100 0.25 . 1 . . . . 100 ASN C . 16811 1 1112 . 1 1 100 100 ASN CA C 13 55.5600 0.25 . 1 . . . . 100 ASN CA . 16811 1 1113 . 1 1 100 100 ASN CB C 13 38.1700 0.25 . 1 . . . . 100 ASN CB . 16811 1 1114 . 1 1 100 100 ASN N N 15 114.7900 0.13 . 1 . . . . 100 ASN N . 16811 1 1115 . 1 1 100 100 ASN ND2 N 15 111.8700 0.13 . 1 . . . . 100 ASN ND2 . 16811 1 1116 . 1 1 101 101 GLU H H 1 8.3700 0.01 . 1 . . . . 101 GLU HN . 16811 1 1117 . 1 1 101 101 GLU HA H 1 4.5280 0.01 . 1 . . . . 101 GLU HA . 16811 1 1118 . 1 1 101 101 GLU HB2 H 1 1.9930 0.01 . 2 . . . . 101 GLU HB1 . 16811 1 1119 . 1 1 101 101 GLU HB3 H 1 1.8960 0.01 . 2 . . . . 101 GLU HB2 . 16811 1 1120 . 1 1 101 101 GLU HG2 H 1 2.1250 0.01 . 2 . . . . 101 GLU HG1 . 16811 1 1121 . 1 1 101 101 GLU HG3 H 1 2.1420 0.01 . 2 . . . . 101 GLU HG2 . 16811 1 1122 . 1 1 101 101 GLU C C 13 175.5000 0.25 . 1 . . . . 101 GLU C . 16811 1 1123 . 1 1 101 101 GLU CA C 13 57.7690 0.25 . 1 . . . . 101 GLU CA . 16811 1 1124 . 1 1 101 101 GLU CB C 13 33.5900 0.25 . 1 . . . . 101 GLU CB . 16811 1 1125 . 1 1 101 101 GLU CG C 13 36.3100 0.25 . 1 . . . . 101 GLU CG . 16811 1 1126 . 1 1 101 101 GLU N N 15 116.6200 0.13 . 1 . . . . 101 GLU N . 16811 1 1127 . 1 1 102 102 ASN H H 1 9.2400 0.01 . 1 . . . . 102 ASN HN . 16811 1 1128 . 1 1 102 102 ASN HA H 1 5.2980 0.01 . 1 . . . . 102 ASN HA . 16811 1 1129 . 1 1 102 102 ASN HB2 H 1 2.2580 0.01 . 2 . . . . 102 ASN HB1 . 16811 1 1130 . 1 1 102 102 ASN HB3 H 1 1.5100 0.01 . 2 . . . . 102 ASN HB2 . 16811 1 1131 . 1 1 102 102 ASN HD21 H 1 6.7600 0.01 . 2 . . . . 102 ASN HD21 . 16811 1 1132 . 1 1 102 102 ASN HD22 H 1 7.3200 0.01 . 2 . . . . 102 ASN HD22 . 16811 1 1133 . 1 1 102 102 ASN C C 13 172.2000 0.25 . 1 . . . . 102 ASN C . 16811 1 1134 . 1 1 102 102 ASN CA C 13 52.8090 0.25 . 1 . . . . 102 ASN CA . 16811 1 1135 . 1 1 102 102 ASN CB C 13 43.0700 0.25 . 1 . . . . 102 ASN CB . 16811 1 1136 . 1 1 102 102 ASN N N 15 118.9100 0.13 . 1 . . . . 102 ASN N . 16811 1 1137 . 1 1 102 102 ASN ND2 N 15 113.9800 0.13 . 1 . . . . 102 ASN ND2 . 16811 1 1138 . 1 1 103 103 GLU H H 1 8.6600 0.01 . 1 . . . . 103 GLU HN . 16811 1 1139 . 1 1 103 103 GLU HA H 1 4.5100 0.01 . 1 . . . . 103 GLU HA . 16811 1 1140 . 1 1 103 103 GLU HB2 H 1 1.8240 0.01 . 2 . . . . 103 GLU HB1 . 16811 1 1141 . 1 1 103 103 GLU HB3 H 1 1.8240 0.01 . 2 . . . . 103 GLU HB2 . 16811 1 1142 . 1 1 103 103 GLU C C 13 174.4500 0.25 . 1 . . . . 103 GLU C . 16811 1 1143 . 1 1 103 103 GLU CA C 13 54.1500 0.25 . 1 . . . . 103 GLU CA . 16811 1 1144 . 1 1 103 103 GLU CB C 13 34.0800 0.25 . 1 . . . . 103 GLU CB . 16811 1 1145 . 1 1 103 103 GLU N N 15 118.2000 0.13 . 1 . . . . 103 GLU N . 16811 1 1146 . 1 1 104 104 TYR H H 1 9.5700 0.01 . 1 . . . . 104 TYR HN . 16811 1 1147 . 1 1 104 104 TYR HA H 1 4.6880 0.01 . 1 . . . . 104 TYR HA . 16811 1 1148 . 1 1 104 104 TYR HB2 H 1 2.8460 0.01 . 2 . . . . 104 TYR HB1 . 16811 1 1149 . 1 1 104 104 TYR HB3 H 1 2.4520 0.01 . 2 . . . . 104 TYR HB2 . 16811 1 1150 . 1 1 104 104 TYR HD1 H 1 6.8600 0.01 . 3 . . . . 104 TYR HD1 . 16811 1 1151 . 1 1 104 104 TYR HD2 H 1 6.8600 0.01 . 3 . . . . 104 TYR HD2 . 16811 1 1152 . 1 1 104 104 TYR HE1 H 1 6.2670 0.01 . 3 . . . . 104 TYR HE1 . 16811 1 1153 . 1 1 104 104 TYR HE2 H 1 6.4870 0.01 . 3 . . . . 104 TYR HE2 . 16811 1 1154 . 1 1 104 104 TYR C C 13 173.2200 0.25 . 1 . . . . 104 TYR C . 16811 1 1155 . 1 1 104 104 TYR CA C 13 56.4310 0.25 . 1 . . . . 104 TYR CA . 16811 1 1156 . 1 1 104 104 TYR CB C 13 39.8300 0.25 . 1 . . . . 104 TYR CB . 16811 1 1157 . 1 1 104 104 TYR CD1 C 13 134.0400 0.25 . 3 . . . . 104 TYR CD1 . 16811 1 1158 . 1 1 104 104 TYR CD2 C 13 134.0400 0.25 . 3 . . . . 104 TYR CD2 . 16811 1 1159 . 1 1 104 104 TYR CE1 C 13 118.7200 0.25 . 3 . . . . 104 TYR CE1 . 16811 1 1160 . 1 1 104 104 TYR CE2 C 13 118.4240 0.25 . 3 . . . . 104 TYR CE2 . 16811 1 1161 . 1 1 104 104 TYR N N 15 128.7900 0.13 . 1 . . . . 104 TYR N . 16811 1 1162 . 1 1 105 105 GLU H H 1 8.7300 0.01 . 1 . . . . 105 GLU HN . 16811 1 1163 . 1 1 105 105 GLU HA H 1 4.5340 0.01 . 1 . . . . 105 GLU HA . 16811 1 1164 . 1 1 105 105 GLU HB2 H 1 1.8350 0.01 . 2 . . . . 105 GLU HB1 . 16811 1 1165 . 1 1 105 105 GLU HB3 H 1 1.7940 0.01 . 2 . . . . 105 GLU HB2 . 16811 1 1166 . 1 1 105 105 GLU C C 13 173.5800 0.25 . 1 . . . . 105 GLU C . 16811 1 1167 . 1 1 105 105 GLU CA C 13 54.9750 0.25 . 1 . . . . 105 GLU CA . 16811 1 1168 . 1 1 105 105 GLU CB C 13 31.9700 0.25 . 1 . . . . 105 GLU CB . 16811 1 1169 . 1 1 105 105 GLU N N 15 125.2200 0.13 . 1 . . . . 105 GLU N . 16811 1 1170 . 1 1 106 106 TYR H H 1 9.4500 0.01 . 1 . . . . 106 TYR HN . 16811 1 1171 . 1 1 106 106 TYR HA H 1 5.3270 0.01 . 1 . . . . 106 TYR HA . 16811 1 1172 . 1 1 106 106 TYR HB2 H 1 2.6390 0.01 . 2 . . . . 106 TYR HB1 . 16811 1 1173 . 1 1 106 106 TYR HB3 H 1 2.2040 0.01 . 2 . . . . 106 TYR HB2 . 16811 1 1174 . 1 1 106 106 TYR HD1 H 1 6.5290 0.01 . 3 . . . . 106 TYR HD1 . 16811 1 1175 . 1 1 106 106 TYR HE1 H 1 6.0970 0.01 . 3 . . . . 106 TYR HE1 . 16811 1 1176 . 1 1 106 106 TYR C C 13 174.2500 0.25 . 1 . . . . 106 TYR C . 16811 1 1177 . 1 1 106 106 TYR CA C 13 55.8830 0.25 . 1 . . . . 106 TYR CA . 16811 1 1178 . 1 1 106 106 TYR CB C 13 42.3700 0.25 . 1 . . . . 106 TYR CB . 16811 1 1179 . 1 1 106 106 TYR CD1 C 13 132.7600 0.25 . 3 . . . . 106 TYR CD1 . 16811 1 1180 . 1 1 106 106 TYR CE1 C 13 117.3070 0.25 . 3 . . . . 106 TYR CE1 . 16811 1 1181 . 1 1 106 106 TYR N N 15 125.5800 0.13 . 1 . . . . 106 TYR N . 16811 1 1182 . 1 1 107 107 ALA H H 1 8.8000 0.01 . 1 . . . . 107 ALA HN . 16811 1 1183 . 1 1 107 107 ALA HA H 1 5.0570 0.01 . 1 . . . . 107 ALA HA . 16811 1 1184 . 1 1 107 107 ALA HB1 H 1 1.1570 0.01 . 2 . . . . 107 ALA HB# . 16811 1 1185 . 1 1 107 107 ALA HB2 H 1 1.1570 0.01 . 2 . . . . 107 ALA HB# . 16811 1 1186 . 1 1 107 107 ALA HB3 H 1 1.1570 0.01 . 2 . . . . 107 ALA HB# . 16811 1 1187 . 1 1 107 107 ALA C C 13 176.8400 0.25 . 1 . . . . 107 ALA C . 16811 1 1188 . 1 1 107 107 ALA CA C 13 49.9070 0.25 . 1 . . . . 107 ALA CA . 16811 1 1189 . 1 1 107 107 ALA CB C 13 21.5300 0.25 . 1 . . . . 107 ALA CB . 16811 1 1190 . 1 1 107 107 ALA N N 15 122.5500 0.13 . 1 . . . . 107 ALA N . 16811 1 1191 . 1 1 108 108 VAL H H 1 9.1100 0.01 . 1 . . . . 108 VAL HN . 16811 1 1192 . 1 1 108 108 VAL HA H 1 4.0580 0.01 . 1 . . . . 108 VAL HA . 16811 1 1193 . 1 1 108 108 VAL HB H 1 2.1710 0.01 . 1 . . . . 108 VAL HB . 16811 1 1194 . 1 1 108 108 VAL HG11 H 1 0.6070 0.01 . 2 . . . . 108 VAL HG1# . 16811 1 1195 . 1 1 108 108 VAL HG12 H 1 0.6070 0.01 . 2 . . . . 108 VAL HG1# . 16811 1 1196 . 1 1 108 108 VAL HG13 H 1 0.6070 0.01 . 2 . . . . 108 VAL HG1# . 16811 1 1197 . 1 1 108 108 VAL HG21 H 1 0.8110 0.01 . 2 . . . . 108 VAL HG2# . 16811 1 1198 . 1 1 108 108 VAL HG22 H 1 0.8110 0.01 . 2 . . . . 108 VAL HG2# . 16811 1 1199 . 1 1 108 108 VAL HG23 H 1 0.8110 0.01 . 2 . . . . 108 VAL HG2# . 16811 1 1200 . 1 1 108 108 VAL C C 13 177.8900 0.25 . 1 . . . . 108 VAL C . 16811 1 1201 . 1 1 108 108 VAL CA C 13 63.9540 0.25 . 1 . . . . 108 VAL CA . 16811 1 1202 . 1 1 108 108 VAL CB C 13 32.4300 0.25 . 1 . . . . 108 VAL CB . 16811 1 1203 . 1 1 108 108 VAL CG1 C 13 21.4900 0.25 . 2 . . . . 108 VAL CG1 . 16811 1 1204 . 1 1 108 108 VAL CG2 C 13 23.9400 0.25 . 2 . . . . 108 VAL CG2 . 16811 1 1205 . 1 1 108 108 VAL N N 15 122.1700 0.13 . 1 . . . . 108 VAL N . 16811 1 1206 . 1 1 109 109 THR H H 1 10.2500 0.01 . 1 . . . . 109 THR HN . 16811 1 1207 . 1 1 109 109 THR HA H 1 4.4070 0.01 . 1 . . . . 109 THR HA . 16811 1 1208 . 1 1 109 109 THR HB H 1 4.1770 0.01 . 1 . . . . 109 THR HB . 16811 1 1209 . 1 1 109 109 THR HG21 H 1 1.2160 0.01 . 2 . . . . 109 THR HG2# . 16811 1 1210 . 1 1 109 109 THR HG22 H 1 1.2160 0.01 . 2 . . . . 109 THR HG2# . 16811 1 1211 . 1 1 109 109 THR HG23 H 1 1.2160 0.01 . 2 . . . . 109 THR HG2# . 16811 1 1212 . 1 1 109 109 THR C C 13 175.1100 0.25 . 1 . . . . 109 THR C . 16811 1 1213 . 1 1 109 109 THR CA C 13 61.9500 0.25 . 1 . . . . 109 THR CA . 16811 1 1214 . 1 1 109 109 THR CB C 13 69.4870 0.25 . 1 . . . . 109 THR CB . 16811 1 1215 . 1 1 109 109 THR CG2 C 13 22.2700 0.25 . 1 . . . . 109 THR CG2 . 16811 1 1216 . 1 1 109 109 THR N N 15 121.8000 0.13 . 1 . . . . 109 THR N . 16811 1 1217 . 1 1 110 110 GLY H H 1 7.3800 0.01 . 1 . . . . 110 GLY HN . 16811 1 1218 . 1 1 110 110 GLY HA2 H 1 3.9280 0.01 . 2 . . . . 110 GLY HA1 . 16811 1 1219 . 1 1 110 110 GLY HA3 H 1 4.0460 0.01 . 2 . . . . 110 GLY HA2 . 16811 1 1220 . 1 1 110 110 GLY C C 13 169.9500 0.25 . 1 . . . . 110 GLY C . 16811 1 1221 . 1 1 110 110 GLY CA C 13 45.8200 0.25 . 1 . . . . 110 GLY CA . 16811 1 1222 . 1 1 110 110 GLY N N 15 109.8800 0.13 . 1 . . . . 110 GLY N . 16811 1 1223 . 1 1 111 111 VAL H H 1 8.0600 0.01 . 1 . . . . 111 VAL HN . 16811 1 1224 . 1 1 111 111 VAL HA H 1 4.9440 0.01 . 1 . . . . 111 VAL HA . 16811 1 1225 . 1 1 111 111 VAL HB H 1 1.8860 0.01 . 1 . . . . 111 VAL HB . 16811 1 1226 . 1 1 111 111 VAL HG11 H 1 0.8500 0.01 . 2 . . . . 111 VAL HG1# . 16811 1 1227 . 1 1 111 111 VAL HG12 H 1 0.8500 0.01 . 2 . . . . 111 VAL HG1# . 16811 1 1228 . 1 1 111 111 VAL HG13 H 1 0.8500 0.01 . 2 . . . . 111 VAL HG1# . 16811 1 1229 . 1 1 111 111 VAL HG21 H 1 0.8800 0.01 . 2 . . . . 111 VAL HG2# . 16811 1 1230 . 1 1 111 111 VAL HG22 H 1 0.8800 0.01 . 2 . . . . 111 VAL HG2# . 16811 1 1231 . 1 1 111 111 VAL HG23 H 1 0.8800 0.01 . 2 . . . . 111 VAL HG2# . 16811 1 1232 . 1 1 111 111 VAL C C 13 175.5300 0.25 . 1 . . . . 111 VAL C . 16811 1 1233 . 1 1 111 111 VAL CA C 13 61.2160 0.25 . 1 . . . . 111 VAL CA . 16811 1 1234 . 1 1 111 111 VAL CB C 13 34.5100 0.25 . 1 . . . . 111 VAL CB . 16811 1 1235 . 1 1 111 111 VAL CG1 C 13 21.6100 0.25 . 2 . . . . 111 VAL CG1 . 16811 1 1236 . 1 1 111 111 VAL CG2 C 13 20.5600 0.25 . 2 . . . . 111 VAL CG2 . 16811 1 1237 . 1 1 111 111 VAL N N 15 120.5000 0.13 . 1 . . . . 111 VAL N . 16811 1 1238 . 1 1 112 112 SER H H 1 9.1400 0.01 . 1 . . . . 112 SER HN . 16811 1 1239 . 1 1 112 112 SER HA H 1 4.8820 0.01 . 1 . . . . 112 SER HA . 16811 1 1240 . 1 1 112 112 SER HB2 H 1 3.7400 0.01 . 2 . . . . 112 SER HB1 . 16811 1 1241 . 1 1 112 112 SER HB3 H 1 3.6430 0.01 . 2 . . . . 112 SER HB2 . 16811 1 1242 . 1 1 112 112 SER C C 13 171.6800 0.25 . 1 . . . . 112 SER C . 16811 1 1243 . 1 1 112 112 SER CA C 13 56.9040 0.25 . 1 . . . . 112 SER CA . 16811 1 1244 . 1 1 112 112 SER CB C 13 66.1050 0.25 . 1 . . . . 112 SER CB . 16811 1 1245 . 1 1 112 112 SER N N 15 121.3300 0.13 . 1 . . . . 112 SER N . 16811 1 1246 . 1 1 113 113 GLU H H 1 8.3600 0.01 . 1 . . . . 113 GLU HN . 16811 1 1247 . 1 1 113 113 GLU HA H 1 5.2100 0.01 . 1 . . . . 113 GLU HA . 16811 1 1248 . 1 1 113 113 GLU HB2 H 1 1.9080 0.01 . 2 . . . . 113 GLU HB1 . 16811 1 1249 . 1 1 113 113 GLU HB3 H 1 1.9910 0.01 . 2 . . . . 113 GLU HB2 . 16811 1 1250 . 1 1 113 113 GLU HG2 H 1 1.9620 0.01 . 2 . . . . 113 GLU HG1 . 16811 1 1251 . 1 1 113 113 GLU HG3 H 1 1.7430 0.01 . 2 . . . . 113 GLU HG2 . 16811 1 1252 . 1 1 113 113 GLU C C 13 176.5100 0.25 . 1 . . . . 113 GLU C . 16811 1 1253 . 1 1 113 113 GLU CA C 13 54.7170 0.25 . 1 . . . . 113 GLU CA . 16811 1 1254 . 1 1 113 113 GLU CB C 13 31.7600 0.25 . 1 . . . . 113 GLU CB . 16811 1 1255 . 1 1 113 113 GLU CG C 13 36.7800 0.25 . 1 . . . . 113 GLU CG . 16811 1 1256 . 1 1 113 113 GLU N N 15 120.6100 0.13 . 1 . . . . 113 GLU N . 16811 1 1257 . 1 1 114 114 VAL H H 1 8.8300 0.01 . 1 . . . . 114 VAL HN . 16811 1 1258 . 1 1 114 114 VAL HA H 1 4.8280 0.01 . 1 . . . . 114 VAL HA . 16811 1 1259 . 1 1 114 114 VAL HB H 1 2.1040 0.01 . 1 . . . . 114 VAL HB . 16811 1 1260 . 1 1 114 114 VAL HG11 H 1 0.6930 0.01 . 2 . . . . 114 VAL HG1# . 16811 1 1261 . 1 1 114 114 VAL HG12 H 1 0.6930 0.01 . 2 . . . . 114 VAL HG1# . 16811 1 1262 . 1 1 114 114 VAL HG13 H 1 0.6930 0.01 . 2 . . . . 114 VAL HG1# . 16811 1 1263 . 1 1 114 114 VAL HG21 H 1 0.8510 0.01 . 2 . . . . 114 VAL HG2# . 16811 1 1264 . 1 1 114 114 VAL HG22 H 1 0.8510 0.01 . 2 . . . . 114 VAL HG2# . 16811 1 1265 . 1 1 114 114 VAL HG23 H 1 0.8510 0.01 . 2 . . . . 114 VAL HG2# . 16811 1 1266 . 1 1 114 114 VAL C C 13 175.0800 0.25 . 1 . . . . 114 VAL C . 16811 1 1267 . 1 1 114 114 VAL CA C 13 58.9320 0.25 . 1 . . . . 114 VAL CA . 16811 1 1268 . 1 1 114 114 VAL CB C 13 36.1500 0.25 . 1 . . . . 114 VAL CB . 16811 1 1269 . 1 1 114 114 VAL CG1 C 13 20.2200 0.25 . 2 . . . . 114 VAL CG1 . 16811 1 1270 . 1 1 114 114 VAL CG2 C 13 21.5000 0.25 . 2 . . . . 114 VAL CG2 . 16811 1 1271 . 1 1 114 114 VAL N N 15 118.1200 0.13 . 1 . . . . 114 VAL N . 16811 1 1272 . 1 1 115 115 THR H H 1 7.9000 0.01 . 1 . . . . 115 THR HN . 16811 1 1273 . 1 1 115 115 THR HA H 1 4.5400 0.01 . 1 . . . . 115 THR HA . 16811 1 1274 . 1 1 115 115 THR HB H 1 4.4660 0.01 . 1 . . . . 115 THR HB . 16811 1 1275 . 1 1 115 115 THR HG21 H 1 1.2900 0.01 . 2 . . . . 115 THR HG2# . 16811 1 1276 . 1 1 115 115 THR HG22 H 1 1.2900 0.01 . 2 . . . . 115 THR HG2# . 16811 1 1277 . 1 1 115 115 THR HG23 H 1 1.2900 0.01 . 2 . . . . 115 THR HG2# . 16811 1 1278 . 1 1 115 115 THR C C 13 174.6400 0.25 . 1 . . . . 115 THR C . 16811 1 1279 . 1 1 115 115 THR CA C 13 60.4400 0.25 . 1 . . . . 115 THR CA . 16811 1 1280 . 1 1 115 115 THR CB C 13 67.4900 0.25 . 1 . . . . 115 THR CB . 16811 1 1281 . 1 1 115 115 THR CG2 C 13 22.7400 0.25 . 1 . . . . 115 THR CG2 . 16811 1 1282 . 1 1 115 115 THR N N 15 113.6900 0.13 . 1 . . . . 115 THR N . 16811 1 1283 . 1 1 116 116 PRO HA H 1 3.9930 0.01 . 1 . . . . 116 PRO HA . 16811 1 1284 . 1 1 116 116 PRO HB2 H 1 1.9430 0.01 . 2 . . . . 116 PRO HB1 . 16811 1 1285 . 1 1 116 116 PRO HB3 H 1 2.0810 0.01 . 2 . . . . 116 PRO HB2 . 16811 1 1286 . 1 1 116 116 PRO HD2 H 1 3.6930 0.01 . 2 . . . . 116 PRO HD1 . 16811 1 1287 . 1 1 116 116 PRO HD3 H 1 3.7430 0.01 . 2 . . . . 116 PRO HD2 . 16811 1 1288 . 1 1 116 116 PRO HG2 H 1 1.7500 0.01 . 2 . . . . 116 PRO HG1 . 16811 1 1289 . 1 1 116 116 PRO HG3 H 1 2.0300 0.01 . 2 . . . . 116 PRO HG2 . 16811 1 1290 . 1 1 116 116 PRO CA C 13 64.9300 0.25 . 1 . . . . 116 PRO CA . 16811 1 1291 . 1 1 116 116 PRO CB C 13 31.8300 0.25 . 1 . . . . 116 PRO CB . 16811 1 1292 . 1 1 116 116 PRO CD C 13 51.1610 0.25 . 1 . . . . 116 PRO CD . 16811 1 1293 . 1 1 116 116 PRO CG C 13 28.2210 0.25 . 1 . . . . 116 PRO CG . 16811 1 1294 . 1 1 117 117 ASP H H 1 8.3700 0.01 . 1 . . . . 117 ASP HN . 16811 1 1295 . 1 1 117 117 ASP HA H 1 4.4380 0.01 . 1 . . . . 117 ASP HA . 16811 1 1296 . 1 1 117 117 ASP HB2 H 1 2.6220 0.01 . 2 . . . . 117 ASP HB1 . 16811 1 1297 . 1 1 117 117 ASP HB3 H 1 2.7080 0.01 . 2 . . . . 117 ASP HB2 . 16811 1 1298 . 1 1 117 117 ASP C C 13 176.2200 0.25 . 1 . . . . 117 ASP C . 16811 1 1299 . 1 1 117 117 ASP CA C 13 53.3500 0.25 . 1 . . . . 117 ASP CA . 16811 1 1300 . 1 1 117 117 ASP CB C 13 39.8300 0.25 . 1 . . . . 117 ASP CB . 16811 1 1301 . 1 1 117 117 ASP N N 15 113.5900 0.13 . 1 . . . . 117 ASP N . 16811 1 1302 . 1 1 118 118 LYS H H 1 7.2800 0.01 . 1 . . . . 118 LYS HN . 16811 1 1303 . 1 1 118 118 LYS HA H 1 4.5240 0.01 . 1 . . . . 118 LYS HA . 16811 1 1304 . 1 1 118 118 LYS HB2 H 1 1.8640 0.01 . 2 . . . . 118 LYS HB1 . 16811 1 1305 . 1 1 118 118 LYS HB3 H 1 1.6860 0.01 . 2 . . . . 118 LYS HB2 . 16811 1 1306 . 1 1 118 118 LYS HD2 H 1 1.5520 0.01 . 2 . . . . 118 LYS HD1 . 16811 1 1307 . 1 1 118 118 LYS HD3 H 1 1.6600 0.01 . 2 . . . . 118 LYS HD2 . 16811 1 1308 . 1 1 118 118 LYS HE2 H 1 2.8850 0.01 . 2 . . . . 118 LYS HE1 . 16811 1 1309 . 1 1 118 118 LYS HE3 H 1 2.8850 0.01 . 2 . . . . 118 LYS HE2 . 16811 1 1310 . 1 1 118 118 LYS HG2 H 1 1.3330 0.01 . 2 . . . . 118 LYS HG1 . 16811 1 1311 . 1 1 118 118 LYS HG3 H 1 1.3860 0.01 . 2 . . . . 118 LYS HG2 . 16811 1 1312 . 1 1 118 118 LYS C C 13 175.9900 0.25 . 1 . . . . 118 LYS C . 16811 1 1313 . 1 1 118 118 LYS CA C 13 54.3600 0.25 . 1 . . . . 118 LYS CA . 16811 1 1314 . 1 1 118 118 LYS CB C 13 30.0900 0.25 . 1 . . . . 118 LYS CB . 16811 1 1315 . 1 1 118 118 LYS CD C 13 28.4980 0.25 . 1 . . . . 118 LYS CD . 16811 1 1316 . 1 1 118 118 LYS CE C 13 41.7800 0.25 . 1 . . . . 118 LYS CE . 16811 1 1317 . 1 1 118 118 LYS CG C 13 24.4900 0.25 . 1 . . . . 118 LYS CG . 16811 1 1318 . 1 1 118 118 LYS N N 15 121.7600 0.13 . 1 . . . . 118 LYS N . 16811 1 1319 . 1 1 119 119 TRP H H 1 7.9400 0.01 . 1 . . . . 119 TRP HN . 16811 1 1320 . 1 1 119 119 TRP HA H 1 4.3950 0.01 . 1 . . . . 119 TRP HA . 16811 1 1321 . 1 1 119 119 TRP HB2 H 1 3.2040 0.01 . 2 . . . . 119 TRP HB1 . 16811 1 1322 . 1 1 119 119 TRP HB3 H 1 3.2040 0.01 . 2 . . . . 119 TRP HB2 . 16811 1 1323 . 1 1 119 119 TRP HD1 H 1 7.1800 0.01 . 1 . . . . 119 TRP HD1 . 16811 1 1324 . 1 1 119 119 TRP HE1 H 1 10.0370 0.01 . 1 . . . . 119 TRP HE1 . 16811 1 1325 . 1 1 119 119 TRP HE3 H 1 7.3640 0.01 . 1 . . . . 119 TRP HE3 . 16811 1 1326 . 1 1 119 119 TRP HH2 H 1 7.0460 0.01 . 1 . . . . 119 TRP HH2 . 16811 1 1327 . 1 1 119 119 TRP HZ2 H 1 7.3640 0.01 . 1 . . . . 119 TRP HZ2 . 16811 1 1328 . 1 1 119 119 TRP HZ3 H 1 6.8640 0.01 . 1 . . . . 119 TRP HZ3 . 16811 1 1329 . 1 1 119 119 TRP C C 13 177.2000 0.25 . 1 . . . . 119 TRP C . 16811 1 1330 . 1 1 119 119 TRP CA C 13 57.7780 0.25 . 1 . . . . 119 TRP CA . 16811 1 1331 . 1 1 119 119 TRP CB C 13 29.4900 0.25 . 1 . . . . 119 TRP CB . 16811 1 1332 . 1 1 119 119 TRP CD1 C 13 127.3100 0.25 . 1 . . . . 119 TRP CD1 . 16811 1 1333 . 1 1 119 119 TRP CE3 C 13 120.3600 0.25 . 1 . . . . 119 TRP CE3 . 16811 1 1334 . 1 1 119 119 TRP CH2 C 13 124.3500 0.25 . 1 . . . . 119 TRP CH2 . 16811 1 1335 . 1 1 119 119 TRP CZ2 C 13 114.8200 0.25 . 1 . . . . 119 TRP CZ2 . 16811 1 1336 . 1 1 119 119 TRP CZ3 C 13 121.3800 0.25 . 1 . . . . 119 TRP CZ3 . 16811 1 1337 . 1 1 119 119 TRP N N 15 124.3600 0.13 . 1 . . . . 119 TRP N . 16811 1 1338 . 1 1 119 119 TRP NE1 N 15 129.5970 0.13 . 1 . . . . 119 TRP NE1 . 16811 1 1339 . 1 1 120 120 GLU H H 1 9.1300 0.01 . 1 . . . . 120 GLU HN . 16811 1 1340 . 1 1 120 120 GLU HA H 1 3.9130 0.01 . 1 . . . . 120 GLU HA . 16811 1 1341 . 1 1 120 120 GLU HB2 H 1 1.8700 0.01 . 2 . . . . 120 GLU HB1 . 16811 1 1342 . 1 1 120 120 GLU HB3 H 1 1.8700 0.01 . 2 . . . . 120 GLU HB2 . 16811 1 1343 . 1 1 120 120 GLU HG2 H 1 2.0070 0.01 . 2 . . . . 120 GLU HG1 . 16811 1 1344 . 1 1 120 120 GLU HG3 H 1 1.8230 0.01 . 2 . . . . 120 GLU HG2 . 16811 1 1345 . 1 1 120 120 GLU C C 13 178.4900 0.25 . 1 . . . . 120 GLU C . 16811 1 1346 . 1 1 120 120 GLU CA C 13 58.7400 0.25 . 1 . . . . 120 GLU CA . 16811 1 1347 . 1 1 120 120 GLU CB C 13 28.4300 0.25 . 1 . . . . 120 GLU CB . 16811 1 1348 . 1 1 120 120 GLU CG C 13 35.7500 0.25 . 1 . . . . 120 GLU CG . 16811 1 1349 . 1 1 120 120 GLU N N 15 119.7400 0.13 . 1 . . . . 120 GLU N . 16811 1 1350 . 1 1 121 121 VAL H H 1 7.1400 0.01 . 1 . . . . 121 VAL HN . 16811 1 1351 . 1 1 121 121 VAL HA H 1 4.1120 0.01 . 1 . . . . 121 VAL HA . 16811 1 1352 . 1 1 121 121 VAL HB H 1 2.1760 0.01 . 1 . . . . 121 VAL HB . 16811 1 1353 . 1 1 121 121 VAL HG11 H 1 0.8410 0.01 . 2 . . . . 121 VAL HG1# . 16811 1 1354 . 1 1 121 121 VAL HG12 H 1 0.8410 0.01 . 2 . . . . 121 VAL HG1# . 16811 1 1355 . 1 1 121 121 VAL HG13 H 1 0.8410 0.01 . 2 . . . . 121 VAL HG1# . 16811 1 1356 . 1 1 121 121 VAL HG21 H 1 0.9590 0.01 . 2 . . . . 121 VAL HG2# . 16811 1 1357 . 1 1 121 121 VAL HG22 H 1 0.9590 0.01 . 2 . . . . 121 VAL HG2# . 16811 1 1358 . 1 1 121 121 VAL HG23 H 1 0.9590 0.01 . 2 . . . . 121 VAL HG2# . 16811 1 1359 . 1 1 121 121 VAL C C 13 176.1700 0.25 . 1 . . . . 121 VAL C . 16811 1 1360 . 1 1 121 121 VAL CA C 13 63.9790 0.25 . 1 . . . . 121 VAL CA . 16811 1 1361 . 1 1 121 121 VAL CB C 13 31.1900 0.25 . 1 . . . . 121 VAL CB . 16811 1 1362 . 1 1 121 121 VAL CG1 C 13 18.8100 0.25 . 2 . . . . 121 VAL CG1 . 16811 1 1363 . 1 1 121 121 VAL CG2 C 13 21.4400 0.25 . 2 . . . . 121 VAL CG2 . 16811 1 1364 . 1 1 121 121 VAL N N 15 113.2700 0.13 . 1 . . . . 121 VAL N . 16811 1 1365 . 1 1 122 122 VAL H H 1 7.1500 0.01 . 1 . . . . 122 VAL HN . 16811 1 1366 . 1 1 122 122 VAL HA H 1 4.0760 0.01 . 1 . . . . 122 VAL HA . 16811 1 1367 . 1 1 122 122 VAL HB H 1 1.9950 0.01 . 1 . . . . 122 VAL HB . 16811 1 1368 . 1 1 122 122 VAL HG11 H 1 0.6310 0.01 . 2 . . . . 122 VAL HG1# . 16811 1 1369 . 1 1 122 122 VAL HG12 H 1 0.6310 0.01 . 2 . . . . 122 VAL HG1# . 16811 1 1370 . 1 1 122 122 VAL HG13 H 1 0.6310 0.01 . 2 . . . . 122 VAL HG1# . 16811 1 1371 . 1 1 122 122 VAL HG21 H 1 0.6610 0.01 . 2 . . . . 122 VAL HG2# . 16811 1 1372 . 1 1 122 122 VAL HG22 H 1 0.6610 0.01 . 2 . . . . 122 VAL HG2# . 16811 1 1373 . 1 1 122 122 VAL HG23 H 1 0.6610 0.01 . 2 . . . . 122 VAL HG2# . 16811 1 1374 . 1 1 122 122 VAL C C 13 174.7400 0.25 . 1 . . . . 122 VAL C . 16811 1 1375 . 1 1 122 122 VAL CA C 13 61.0600 0.25 . 1 . . . . 122 VAL CA . 16811 1 1376 . 1 1 122 122 VAL CB C 13 31.3300 0.25 . 1 . . . . 122 VAL CB . 16811 1 1377 . 1 1 122 122 VAL CG1 C 13 17.9800 0.25 . 2 . . . . 122 VAL CG1 . 16811 1 1378 . 1 1 122 122 VAL CG2 C 13 22.4100 0.25 . 2 . . . . 122 VAL CG2 . 16811 1 1379 . 1 1 122 122 VAL N N 15 108.4200 0.13 . 1 . . . . 122 VAL N . 16811 1 1380 . 1 1 123 123 GLU H H 1 7.0000 0.01 . 1 . . . . 123 GLU HN . 16811 1 1381 . 1 1 123 123 GLU HA H 1 3.9830 0.01 . 1 . . . . 123 GLU HA . 16811 1 1382 . 1 1 123 123 GLU HB2 H 1 2.0200 0.01 . 2 . . . . 123 GLU HB1 . 16811 1 1383 . 1 1 123 123 GLU HB3 H 1 1.8170 0.01 . 2 . . . . 123 GLU HB2 . 16811 1 1384 . 1 1 123 123 GLU HG2 H 1 2.4540 0.01 . 2 . . . . 123 GLU HG1 . 16811 1 1385 . 1 1 123 123 GLU HG3 H 1 2.2690 0.01 . 2 . . . . 123 GLU HG2 . 16811 1 1386 . 1 1 123 123 GLU C C 13 175.0200 0.25 . 1 . . . . 123 GLU C . 16811 1 1387 . 1 1 123 123 GLU CA C 13 55.2960 0.25 . 1 . . . . 123 GLU CA . 16811 1 1388 . 1 1 123 123 GLU CB C 13 30.4600 0.25 . 1 . . . . 123 GLU CB . 16811 1 1389 . 1 1 123 123 GLU CG C 13 36.5400 0.25 . 1 . . . . 123 GLU CG . 16811 1 1390 . 1 1 123 123 GLU N N 15 120.7900 0.13 . 1 . . . . 123 GLU N . 16811 1 1391 . 1 1 124 124 ASP H H 1 8.4700 0.01 . 1 . . . . 124 ASP HN . 16811 1 1392 . 1 1 124 124 ASP HA H 1 4.3130 0.01 . 1 . . . . 124 ASP HA . 16811 1 1393 . 1 1 124 124 ASP HB2 H 1 2.8590 0.01 . 2 . . . . 124 ASP HB1 . 16811 1 1394 . 1 1 124 124 ASP HB3 H 1 2.5010 0.01 . 2 . . . . 124 ASP HB2 . 16811 1 1395 . 1 1 124 124 ASP C C 13 177.2000 0.25 . 1 . . . . 124 ASP C . 16811 1 1396 . 1 1 124 124 ASP CA C 13 55.8410 0.25 . 1 . . . . 124 ASP CA . 16811 1 1397 . 1 1 124 124 ASP CB C 13 40.6800 0.25 . 1 . . . . 124 ASP CB . 16811 1 1398 . 1 1 124 124 ASP N N 15 119.9200 0.13 . 1 . . . . 124 ASP N . 16811 1 1399 . 1 1 125 125 HIS H H 1 10.0400 0.01 . 1 . . . . 125 HIS HN . 16811 1 1400 . 1 1 125 125 HIS HA H 1 5.0750 0.01 . 1 . . . . 125 HIS HA . 16811 1 1401 . 1 1 125 125 HIS HB2 H 1 2.8740 0.01 . 2 . . . . 125 HIS HB1 . 16811 1 1402 . 1 1 125 125 HIS HB3 H 1 3.5580 0.01 . 2 . . . . 125 HIS HB2 . 16811 1 1403 . 1 1 125 125 HIS HD2 H 1 7.1600 0.01 . 1 . . . . 125 HIS HD2 . 16811 1 1404 . 1 1 125 125 HIS HE1 H 1 8.2970 0.01 . 1 . . . . 125 HIS HE1 . 16811 1 1405 . 1 1 125 125 HIS C C 13 175.6200 0.25 . 1 . . . . 125 HIS C . 16811 1 1406 . 1 1 125 125 HIS CA C 13 54.1370 0.25 . 1 . . . . 125 HIS CA . 16811 1 1407 . 1 1 125 125 HIS CB C 13 29.7700 0.25 . 1 . . . . 125 HIS CB . 16811 1 1408 . 1 1 125 125 HIS CD2 C 13 119.2000 0.25 . 1 . . . . 125 HIS CD2 . 16811 1 1409 . 1 1 125 125 HIS CE1 C 13 135.0000 0.25 . 1 . . . . 125 HIS CE1 . 16811 1 1410 . 1 1 125 125 HIS N N 15 121.2300 0.13 . 1 . . . . 125 HIS N . 16811 1 1411 . 1 1 126 126 GLY H H 1 8.5400 0.01 . 1 . . . . 126 GLY HN . 16811 1 1412 . 1 1 126 126 GLY HA2 H 1 3.6790 0.01 . 2 . . . . 126 GLY HA1 . 16811 1 1413 . 1 1 126 126 GLY HA3 H 1 4.1400 0.01 . 2 . . . . 126 GLY HA2 . 16811 1 1414 . 1 1 126 126 GLY C C 13 173.0700 0.25 . 1 . . . . 126 GLY C . 16811 1 1415 . 1 1 126 126 GLY CA C 13 45.7800 0.25 . 1 . . . . 126 GLY CA . 16811 1 1416 . 1 1 126 126 GLY N N 15 109.7500 0.13 . 1 . . . . 126 GLY N . 16811 1 1417 . 1 1 127 127 LYS H H 1 7.3500 0.01 . 1 . . . . 127 LYS HN . 16811 1 1418 . 1 1 127 127 LYS HA H 1 4.6670 0.01 . 1 . . . . 127 LYS HA . 16811 1 1419 . 1 1 127 127 LYS HB2 H 1 1.7930 0.01 . 2 . . . . 127 LYS HB1 . 16811 1 1420 . 1 1 127 127 LYS HB3 H 1 1.6330 0.01 . 2 . . . . 127 LYS HB2 . 16811 1 1421 . 1 1 127 127 LYS HD2 H 1 1.5340 0.01 . 2 . . . . 127 LYS HD1 . 16811 1 1422 . 1 1 127 127 LYS HD3 H 1 1.5340 0.01 . 2 . . . . 127 LYS HD2 . 16811 1 1423 . 1 1 127 127 LYS HE2 H 1 2.7750 0.01 . 2 . . . . 127 LYS HE1 . 16811 1 1424 . 1 1 127 127 LYS HE3 H 1 2.7750 0.01 . 2 . . . . 127 LYS HE2 . 16811 1 1425 . 1 1 127 127 LYS HG2 H 1 1.1660 0.01 . 2 . . . . 127 LYS HG1 . 16811 1 1426 . 1 1 127 127 LYS HG3 H 1 0.9590 0.01 . 2 . . . . 127 LYS HG2 . 16811 1 1427 . 1 1 127 127 LYS C C 13 174.6300 0.25 . 1 . . . . 127 LYS C . 16811 1 1428 . 1 1 127 127 LYS CA C 13 54.0100 0.25 . 1 . . . . 127 LYS CA . 16811 1 1429 . 1 1 127 127 LYS CB C 13 35.2000 0.25 . 1 . . . . 127 LYS CB . 16811 1 1430 . 1 1 127 127 LYS CD C 13 29.1800 0.25 . 1 . . . . 127 LYS CD . 16811 1 1431 . 1 1 127 127 LYS CE C 13 41.7200 0.25 . 1 . . . . 127 LYS CE . 16811 1 1432 . 1 1 127 127 LYS CG C 13 23.6900 0.25 . 1 . . . . 127 LYS CG . 16811 1 1433 . 1 1 127 127 LYS N N 15 115.4300 0.13 . 1 . . . . 127 LYS N . 16811 1 1434 . 1 1 128 128 ASP H H 1 8.5100 0.01 . 1 . . . . 128 ASP HN . 16811 1 1435 . 1 1 128 128 ASP HA H 1 5.3230 0.01 . 1 . . . . 128 ASP HA . 16811 1 1436 . 1 1 128 128 ASP HB2 H 1 2.6010 0.01 . 2 . . . . 128 ASP HB1 . 16811 1 1437 . 1 1 128 128 ASP HB3 H 1 2.5020 0.01 . 2 . . . . 128 ASP HB2 . 16811 1 1438 . 1 1 128 128 ASP C C 13 174.8100 0.25 . 1 . . . . 128 ASP C . 16811 1 1439 . 1 1 128 128 ASP CA C 13 53.8890 0.25 . 1 . . . . 128 ASP CA . 16811 1 1440 . 1 1 128 128 ASP CB C 13 41.3300 0.25 . 1 . . . . 128 ASP CB . 16811 1 1441 . 1 1 128 128 ASP N N 15 122.6900 0.13 . 1 . . . . 128 ASP N . 16811 1 1442 . 1 1 129 129 GLU H H 1 9.5300 0.01 . 1 . . . . 129 GLU HN . 16811 1 1443 . 1 1 129 129 GLU HA H 1 5.4480 0.01 . 1 . . . . 129 GLU HA . 16811 1 1444 . 1 1 129 129 GLU HB2 H 1 2.0880 0.01 . 2 . . . . 129 GLU HB1 . 16811 1 1445 . 1 1 129 129 GLU HB3 H 1 1.9690 0.01 . 2 . . . . 129 GLU HB2 . 16811 1 1446 . 1 1 129 129 GLU HG2 H 1 2.2420 0.01 . 2 . . . . 129 GLU HG1 . 16811 1 1447 . 1 1 129 129 GLU HG3 H 1 2.2420 0.01 . 2 . . . . 129 GLU HG2 . 16811 1 1448 . 1 1 129 129 GLU C C 13 173.4000 0.25 . 1 . . . . 129 GLU C . 16811 1 1449 . 1 1 129 129 GLU CA C 13 55.2030 0.25 . 1 . . . . 129 GLU CA . 16811 1 1450 . 1 1 129 129 GLU CB C 13 35.3700 0.25 . 1 . . . . 129 GLU CB . 16811 1 1451 . 1 1 129 129 GLU CG C 13 35.3100 0.25 . 1 . . . . 129 GLU CG . 16811 1 1452 . 1 1 129 129 GLU N N 15 125.7100 0.13 . 1 . . . . 129 GLU N . 16811 1 1453 . 1 1 130 130 ILE H H 1 9.2600 0.01 . 1 . . . . 130 ILE HN . 16811 1 1454 . 1 1 130 130 ILE HA H 1 5.0250 0.01 . 1 . . . . 130 ILE HA . 16811 1 1455 . 1 1 130 130 ILE HB H 1 0.0370 0.01 . 1 . . . . 130 ILE HB . 16811 1 1456 . 1 1 130 130 ILE HD11 H 1 0.3250 0.01 . 2 . . . . 130 ILE HD1# . 16811 1 1457 . 1 1 130 130 ILE HD12 H 1 0.3250 0.01 . 2 . . . . 130 ILE HD1# . 16811 1 1458 . 1 1 130 130 ILE HD13 H 1 0.3250 0.01 . 2 . . . . 130 ILE HD1# . 16811 1 1459 . 1 1 130 130 ILE HG12 H 1 1.8890 0.01 . 2 . . . . 130 ILE HG11 . 16811 1 1460 . 1 1 130 130 ILE HG13 H 1 0.6450 0.01 . 2 . . . . 130 ILE HG12 . 16811 1 1461 . 1 1 130 130 ILE HG21 H 1 0.1280 0.01 . 2 . . . . 130 ILE HG2# . 16811 1 1462 . 1 1 130 130 ILE HG22 H 1 0.1280 0.01 . 2 . . . . 130 ILE HG2# . 16811 1 1463 . 1 1 130 130 ILE HG23 H 1 0.1280 0.01 . 2 . . . . 130 ILE HG2# . 16811 1 1464 . 1 1 130 130 ILE C C 13 172.0200 0.25 . 1 . . . . 130 ILE C . 16811 1 1465 . 1 1 130 130 ILE CA C 13 58.2270 0.25 . 1 . . . . 130 ILE CA . 16811 1 1466 . 1 1 130 130 ILE CB C 13 40.4500 0.25 . 1 . . . . 130 ILE CB . 16811 1 1467 . 1 1 130 130 ILE CD1 C 13 15.8000 0.25 . 1 . . . . 130 ILE CD1 . 16811 1 1468 . 1 1 130 130 ILE CG1 C 13 28.1200 0.25 . 1 . . . . 130 ILE CG1 . 16811 1 1469 . 1 1 130 130 ILE CG2 C 13 16.3730 0.25 . 1 . . . . 130 ILE CG2 . 16811 1 1470 . 1 1 130 130 ILE N N 15 123.6100 0.13 . 1 . . . . 130 ILE N . 16811 1 1471 . 1 1 131 131 THR H H 1 7.7900 0.01 . 1 . . . . 131 THR HN . 16811 1 1472 . 1 1 131 131 THR HA H 1 5.1070 0.01 . 1 . . . . 131 THR HA . 16811 1 1473 . 1 1 131 131 THR HB H 1 3.4690 0.01 . 1 . . . . 131 THR HB . 16811 1 1474 . 1 1 131 131 THR HG21 H 1 0.9010 0.01 . 2 . . . . 131 THR HG2# . 16811 1 1475 . 1 1 131 131 THR HG22 H 1 0.9010 0.01 . 2 . . . . 131 THR HG2# . 16811 1 1476 . 1 1 131 131 THR HG23 H 1 0.9010 0.01 . 2 . . . . 131 THR HG2# . 16811 1 1477 . 1 1 131 131 THR C C 13 172.8800 0.25 . 1 . . . . 131 THR C . 16811 1 1478 . 1 1 131 131 THR CA C 13 61.7070 0.25 . 1 . . . . 131 THR CA . 16811 1 1479 . 1 1 131 131 THR CB C 13 71.0450 0.25 . 1 . . . . 131 THR CB . 16811 1 1480 . 1 1 131 131 THR CG2 C 13 21.8500 0.25 . 1 . . . . 131 THR CG2 . 16811 1 1481 . 1 1 131 131 THR N N 15 121.2500 0.13 . 1 . . . . 131 THR N . 16811 1 1482 . 1 1 132 132 LEU H H 1 9.5200 0.01 . 1 . . . . 132 LEU HN . 16811 1 1483 . 1 1 132 132 LEU HA H 1 5.3670 0.01 . 1 . . . . 132 LEU HA . 16811 1 1484 . 1 1 132 132 LEU HB2 H 1 0.9120 0.01 . 2 . . . . 132 LEU HB1 . 16811 1 1485 . 1 1 132 132 LEU HB3 H 1 1.5330 0.01 . 2 . . . . 132 LEU HB2 . 16811 1 1486 . 1 1 132 132 LEU HD11 H 1 0.3180 0.01 . 2 . . . . 132 LEU HD1# . 16811 1 1487 . 1 1 132 132 LEU HD12 H 1 0.3180 0.01 . 2 . . . . 132 LEU HD1# . 16811 1 1488 . 1 1 132 132 LEU HD13 H 1 0.3180 0.01 . 2 . . . . 132 LEU HD1# . 16811 1 1489 . 1 1 132 132 LEU HD21 H 1 0.6040 0.01 . 2 . . . . 132 LEU HD2# . 16811 1 1490 . 1 1 132 132 LEU HD22 H 1 0.6040 0.01 . 2 . . . . 132 LEU HD2# . 16811 1 1491 . 1 1 132 132 LEU HD23 H 1 0.6040 0.01 . 2 . . . . 132 LEU HD2# . 16811 1 1492 . 1 1 132 132 LEU HG H 1 1.3560 0.01 . 1 . . . . 132 LEU HG . 16811 1 1493 . 1 1 132 132 LEU C C 13 175.6100 0.25 . 1 . . . . 132 LEU C . 16811 1 1494 . 1 1 132 132 LEU CA C 13 52.4560 0.25 . 1 . . . . 132 LEU CA . 16811 1 1495 . 1 1 132 132 LEU CB C 13 42.8000 0.25 . 1 . . . . 132 LEU CB . 16811 1 1496 . 1 1 132 132 LEU CD1 C 13 25.5600 0.25 . 2 . . . . 132 LEU CD1 . 16811 1 1497 . 1 1 132 132 LEU CD2 C 13 24.5300 0.25 . 2 . . . . 132 LEU CD2 . 16811 1 1498 . 1 1 132 132 LEU CG C 13 27.2300 0.25 . 1 . . . . 132 LEU CG . 16811 1 1499 . 1 1 132 132 LEU N N 15 125.7100 0.13 . 1 . . . . 132 LEU N . 16811 1 1500 . 1 1 133 133 ILE H H 1 9.1600 0.01 . 1 . . . . 133 ILE HN . 16811 1 1501 . 1 1 133 133 ILE HA H 1 5.6920 0.01 . 1 . . . . 133 ILE HA . 16811 1 1502 . 1 1 133 133 ILE HB H 1 1.6460 0.01 . 1 . . . . 133 ILE HB . 16811 1 1503 . 1 1 133 133 ILE HD11 H 1 0.6460 0.01 . 2 . . . . 133 ILE HD1# . 16811 1 1504 . 1 1 133 133 ILE HD12 H 1 0.6460 0.01 . 2 . . . . 133 ILE HD1# . 16811 1 1505 . 1 1 133 133 ILE HD13 H 1 0.6460 0.01 . 2 . . . . 133 ILE HD1# . 16811 1 1506 . 1 1 133 133 ILE HG12 H 1 0.9650 0.01 . 2 . . . . 133 ILE HG11 . 16811 1 1507 . 1 1 133 133 ILE HG13 H 1 1.4800 0.01 . 2 . . . . 133 ILE HG12 . 16811 1 1508 . 1 1 133 133 ILE HG21 H 1 0.7880 0.01 . 2 . . . . 133 ILE HG2# . 16811 1 1509 . 1 1 133 133 ILE HG22 H 1 0.7880 0.01 . 2 . . . . 133 ILE HG2# . 16811 1 1510 . 1 1 133 133 ILE HG23 H 1 0.7880 0.01 . 2 . . . . 133 ILE HG2# . 16811 1 1511 . 1 1 133 133 ILE CA C 13 58.5490 0.25 . 1 . . . . 133 ILE CA . 16811 1 1512 . 1 1 133 133 ILE CB C 13 42.1100 0.25 . 1 . . . . 133 ILE CB . 16811 1 1513 . 1 1 133 133 ILE CD1 C 13 14.4940 0.25 . 1 . . . . 133 ILE CD1 . 16811 1 1514 . 1 1 133 133 ILE CG1 C 13 26.8600 0.25 . 1 . . . . 133 ILE CG1 . 16811 1 1515 . 1 1 133 133 ILE CG2 C 13 17.8400 0.25 . 1 . . . . 133 ILE CG2 . 16811 1 1516 . 1 1 133 133 ILE N N 15 117.6200 0.13 . 1 . . . . 133 ILE N . 16811 1 1517 . 1 1 134 134 THR HA H 1 5.5900 0.01 . 1 . . . . 134 THR HA . 16811 1 1518 . 1 1 134 134 THR HB H 1 4.6020 0.01 . 1 . . . . 134 THR HB . 16811 1 1519 . 1 1 134 134 THR HG21 H 1 1.5000 0.01 . 2 . . . . 134 THR HG2# . 16811 1 1520 . 1 1 134 134 THR HG22 H 1 1.5000 0.01 . 2 . . . . 134 THR HG2# . 16811 1 1521 . 1 1 134 134 THR HG23 H 1 1.5000 0.01 . 2 . . . . 134 THR HG2# . 16811 1 1522 . 1 1 134 134 THR CA C 13 60.0540 0.25 . 1 . . . . 134 THR CA . 16811 1 1523 . 1 1 134 134 THR CB C 13 70.5410 0.25 . 1 . . . . 134 THR CB . 16811 1 1524 . 1 1 134 134 THR CG2 C 13 21.9300 0.25 . 1 . . . . 134 THR CG2 . 16811 1 1525 . 1 1 143 143 LYS H H 1 7.6330 0.01 . 1 . . . . 143 LYS HN . 16811 1 1526 . 1 1 143 143 LYS HA H 1 4.4760 0.01 . 1 . . . . 143 LYS HA . 16811 1 1527 . 1 1 143 143 LYS HB2 H 1 1.4910 0.01 . 2 . . . . 143 LYS HB1 . 16811 1 1528 . 1 1 143 143 LYS HB3 H 1 1.4910 0.01 . 2 . . . . 143 LYS HB2 . 16811 1 1529 . 1 1 143 143 LYS CA C 13 55.6170 0.25 . 1 . . . . 143 LYS CA . 16811 1 1530 . 1 1 143 143 LYS CB C 13 35.6730 0.25 . 1 . . . . 143 LYS CB . 16811 1 1531 . 1 1 143 143 LYS CD C 13 29.0240 0.25 . 1 . . . . 143 LYS CD . 16811 1 1532 . 1 1 143 143 LYS CE C 13 41.9210 0.25 . 1 . . . . 143 LYS CE . 16811 1 1533 . 1 1 143 143 LYS CG C 13 24.9560 0.25 . 1 . . . . 143 LYS CG . 16811 1 1534 . 1 1 143 143 LYS N N 15 118.1940 0.13 . 1 . . . . 143 LYS N . 16811 1 1535 . 1 1 144 144 ARG H H 1 8.7400 0.01 . 1 . . . . 144 ARG HN . 16811 1 1536 . 1 1 144 144 ARG HA H 1 4.5330 0.01 . 1 . . . . 144 ARG HA . 16811 1 1537 . 1 1 144 144 ARG HB2 H 1 1.4970 0.01 . 2 . . . . 144 ARG HB1 . 16811 1 1538 . 1 1 144 144 ARG HB3 H 1 1.6810 0.01 . 2 . . . . 144 ARG HB2 . 16811 1 1539 . 1 1 144 144 ARG HD2 H 1 3.0300 0.01 . 2 . . . . 144 ARG HD1 . 16811 1 1540 . 1 1 144 144 ARG HD3 H 1 2.8400 0.01 . 2 . . . . 144 ARG HD2 . 16811 1 1541 . 1 1 144 144 ARG CA C 13 55.9670 0.25 . 1 . . . . 144 ARG CA . 16811 1 1542 . 1 1 144 144 ARG CB C 13 32.6700 0.25 . 1 . . . . 144 ARG CB . 16811 1 1543 . 1 1 144 144 ARG CD C 13 43.5900 0.25 . 1 . . . . 144 ARG CD . 16811 1 1544 . 1 1 144 144 ARG N N 15 120.1400 0.13 . 1 . . . . 144 ARG N . 16811 1 1545 . 1 1 145 145 TYR HA H 1 5.1650 0.01 . 1 . . . . 145 TYR HA . 16811 1 1546 . 1 1 145 145 TYR HB2 H 1 2.6330 0.01 . 2 . . . . 145 TYR HB1 . 16811 1 1547 . 1 1 145 145 TYR HB3 H 1 2.6330 0.01 . 2 . . . . 145 TYR HB2 . 16811 1 1548 . 1 1 145 145 TYR HD1 H 1 6.9440 0.01 . 3 . . . . 145 TYR HD1 . 16811 1 1549 . 1 1 145 145 TYR HE1 H 1 6.7360 0.01 . 3 . . . . 145 TYR HE1 . 16811 1 1550 . 1 1 145 145 TYR CA C 13 58.2000 0.25 . 1 . . . . 145 TYR CA . 16811 1 1551 . 1 1 145 145 TYR CB C 13 40.3200 0.25 . 1 . . . . 145 TYR CB . 16811 1 1552 . 1 1 145 145 TYR CD1 C 13 132.4800 0.25 . 3 . . . . 145 TYR CD1 . 16811 1 1553 . 1 1 145 145 TYR CE1 C 13 118.6700 0.25 . 3 . . . . 145 TYR CE1 . 16811 1 1554 . 1 1 146 146 VAL H H 1 8.9000 0.01 . 1 . . . . 146 VAL HN . 16811 1 1555 . 1 1 146 146 VAL HA H 1 4.9530 0.01 . 1 . . . . 146 VAL HA . 16811 1 1556 . 1 1 146 146 VAL HB H 1 1.8820 0.01 . 1 . . . . 146 VAL HB . 16811 1 1557 . 1 1 146 146 VAL HG11 H 1 0.6660 0.01 . 2 . . . . 146 VAL HG1# . 16811 1 1558 . 1 1 146 146 VAL HG12 H 1 0.6660 0.01 . 2 . . . . 146 VAL HG1# . 16811 1 1559 . 1 1 146 146 VAL HG13 H 1 0.6660 0.01 . 2 . . . . 146 VAL HG1# . 16811 1 1560 . 1 1 146 146 VAL HG21 H 1 0.7430 0.01 . 2 . . . . 146 VAL HG2# . 16811 1 1561 . 1 1 146 146 VAL HG22 H 1 0.7430 0.01 . 2 . . . . 146 VAL HG2# . 16811 1 1562 . 1 1 146 146 VAL HG23 H 1 0.7430 0.01 . 2 . . . . 146 VAL HG2# . 16811 1 1563 . 1 1 146 146 VAL C C 13 175.6300 0.25 . 1 . . . . 146 VAL C . 16811 1 1564 . 1 1 146 146 VAL CA C 13 60.6120 0.25 . 1 . . . . 146 VAL CA . 16811 1 1565 . 1 1 146 146 VAL CB C 13 33.7200 0.25 . 1 . . . . 146 VAL CB . 16811 1 1566 . 1 1 146 146 VAL CG1 C 13 21.5900 0.25 . 2 . . . . 146 VAL CG1 . 16811 1 1567 . 1 1 146 146 VAL CG2 C 13 22.5200 0.25 . 2 . . . . 146 VAL CG2 . 16811 1 1568 . 1 1 146 146 VAL N N 15 119.1900 0.13 . 1 . . . . 146 VAL N . 16811 1 1569 . 1 1 147 147 VAL H H 1 9.5300 0.01 . 1 . . . . 147 VAL HN . 16811 1 1570 . 1 1 147 147 VAL HA H 1 4.5680 0.01 . 1 . . . . 147 VAL HA . 16811 1 1571 . 1 1 147 147 VAL HB H 1 1.7820 0.01 . 1 . . . . 147 VAL HB . 16811 1 1572 . 1 1 147 147 VAL HG11 H 1 0.7350 0.01 . 2 . . . . 147 VAL HG1# . 16811 1 1573 . 1 1 147 147 VAL HG12 H 1 0.7350 0.01 . 2 . . . . 147 VAL HG1# . 16811 1 1574 . 1 1 147 147 VAL HG13 H 1 0.7350 0.01 . 2 . . . . 147 VAL HG1# . 16811 1 1575 . 1 1 147 147 VAL HG21 H 1 0.7920 0.01 . 2 . . . . 147 VAL HG2# . 16811 1 1576 . 1 1 147 147 VAL HG22 H 1 0.7920 0.01 . 2 . . . . 147 VAL HG2# . 16811 1 1577 . 1 1 147 147 VAL HG23 H 1 0.7920 0.01 . 2 . . . . 147 VAL HG2# . 16811 1 1578 . 1 1 147 147 VAL C C 13 173.2200 0.25 . 1 . . . . 147 VAL C . 16811 1 1579 . 1 1 147 147 VAL CA C 13 61.2520 0.25 . 1 . . . . 147 VAL CA . 16811 1 1580 . 1 1 147 147 VAL CB C 13 33.8000 0.25 . 1 . . . . 147 VAL CB . 16811 1 1581 . 1 1 147 147 VAL CG1 C 13 21.6700 0.25 . 2 . . . . 147 VAL CG1 . 16811 1 1582 . 1 1 147 147 VAL CG2 C 13 21.4900 0.25 . 2 . . . . 147 VAL CG2 . 16811 1 1583 . 1 1 147 147 VAL N N 15 129.6500 0.13 . 1 . . . . 147 VAL N . 16811 1 1584 . 1 1 148 148 ALA H H 1 8.3700 0.01 . 1 . . . . 148 ALA HN . 16811 1 1585 . 1 1 148 148 ALA HA H 1 5.5060 0.01 . 1 . . . . 148 ALA HA . 16811 1 1586 . 1 1 148 148 ALA HB1 H 1 1.2610 0.01 . 2 . . . . 148 ALA HB# . 16811 1 1587 . 1 1 148 148 ALA HB2 H 1 1.2610 0.01 . 2 . . . . 148 ALA HB# . 16811 1 1588 . 1 1 148 148 ALA HB3 H 1 1.2610 0.01 . 2 . . . . 148 ALA HB# . 16811 1 1589 . 1 1 148 148 ALA C C 13 177.5400 0.25 . 1 . . . . 148 ALA C . 16811 1 1590 . 1 1 148 148 ALA CA C 13 49.8770 0.25 . 1 . . . . 148 ALA CA . 16811 1 1591 . 1 1 148 148 ALA CB C 13 22.5800 0.25 . 1 . . . . 148 ALA CB . 16811 1 1592 . 1 1 148 148 ALA N N 15 129.4000 0.13 . 1 . . . . 148 ALA N . 16811 1 1593 . 1 1 149 149 GLY H H 1 8.7000 0.01 . 1 . . . . 149 GLY HN . 16811 1 1594 . 1 1 149 149 GLY HA2 H 1 4.9980 0.01 . 2 . . . . 149 GLY HA1 . 16811 1 1595 . 1 1 149 149 GLY HA3 H 1 3.2780 0.01 . 2 . . . . 149 GLY HA2 . 16811 1 1596 . 1 1 149 149 GLY C C 13 171.5500 0.25 . 1 . . . . 149 GLY C . 16811 1 1597 . 1 1 149 149 GLY CA C 13 46.3700 0.25 . 1 . . . . 149 GLY CA . 16811 1 1598 . 1 1 149 149 GLY N N 15 107.2200 0.13 . 1 . . . . 149 GLY N . 16811 1 1599 . 1 1 150 150 ASP H H 1 8.2500 0.01 . 1 . . . . 150 ASP HN . 16811 1 1600 . 1 1 150 150 ASP HA H 1 5.2130 0.01 . 1 . . . . 150 ASP HA . 16811 1 1601 . 1 1 150 150 ASP HB2 H 1 2.6770 0.01 . 2 . . . . 150 ASP HB1 . 16811 1 1602 . 1 1 150 150 ASP HB3 H 1 2.4440 0.01 . 2 . . . . 150 ASP HB2 . 16811 1 1603 . 1 1 150 150 ASP C C 13 176.4800 0.25 . 1 . . . . 150 ASP C . 16811 1 1604 . 1 1 150 150 ASP CA C 13 53.4220 0.25 . 1 . . . . 150 ASP CA . 16811 1 1605 . 1 1 150 150 ASP CB C 13 42.9050 0.25 . 1 . . . . 150 ASP CB . 16811 1 1606 . 1 1 150 150 ASP N N 15 121.4500 0.13 . 1 . . . . 150 ASP N . 16811 1 1607 . 1 1 151 151 LEU H H 1 8.0200 0.01 . 1 . . . . 151 LEU HN . 16811 1 1608 . 1 1 151 151 LEU HA H 1 3.7000 0.01 . 1 . . . . 151 LEU HA . 16811 1 1609 . 1 1 151 151 LEU HB2 H 1 1.6350 0.01 . 2 . . . . 151 LEU HB1 . 16811 1 1610 . 1 1 151 151 LEU HB3 H 1 0.8570 0.01 . 2 . . . . 151 LEU HB2 . 16811 1 1611 . 1 1 151 151 LEU HD11 H 1 0.2230 0.01 . 2 . . . . 151 LEU HD1# . 16811 1 1612 . 1 1 151 151 LEU HD12 H 1 0.2230 0.01 . 2 . . . . 151 LEU HD1# . 16811 1 1613 . 1 1 151 151 LEU HD13 H 1 0.2230 0.01 . 2 . . . . 151 LEU HD1# . 16811 1 1614 . 1 1 151 151 LEU HD21 H 1 0.8390 0.01 . 2 . . . . 151 LEU HD2# . 16811 1 1615 . 1 1 151 151 LEU HD22 H 1 0.8390 0.01 . 2 . . . . 151 LEU HD2# . 16811 1 1616 . 1 1 151 151 LEU HD23 H 1 0.8390 0.01 . 2 . . . . 151 LEU HD2# . 16811 1 1617 . 1 1 151 151 LEU HG H 1 1.0980 0.01 . 1 . . . . 151 LEU HG . 16811 1 1618 . 1 1 151 151 LEU C C 13 176.7000 0.25 . 1 . . . . 151 LEU C . 16811 1 1619 . 1 1 151 151 LEU CA C 13 56.7490 0.25 . 1 . . . . 151 LEU CA . 16811 1 1620 . 1 1 151 151 LEU CB C 13 42.2900 0.25 . 1 . . . . 151 LEU CB . 16811 1 1621 . 1 1 151 151 LEU CD1 C 13 22.1500 0.25 . 2 . . . . 151 LEU CD1 . 16811 1 1622 . 1 1 151 151 LEU CD2 C 13 27.3700 0.25 . 2 . . . . 151 LEU CD2 . 16811 1 1623 . 1 1 151 151 LEU CG C 13 27.0600 0.25 . 1 . . . . 151 LEU CG . 16811 1 1624 . 1 1 151 151 LEU N N 15 122.5900 0.13 . 1 . . . . 151 LEU N . 16811 1 1625 . 1 1 152 152 VAL H H 1 9.6600 0.01 . 1 . . . . 152 VAL HN . 16811 1 1626 . 1 1 152 152 VAL HA H 1 4.2340 0.01 . 1 . . . . 152 VAL HA . 16811 1 1627 . 1 1 152 152 VAL HB H 1 1.8890 0.01 . 1 . . . . 152 VAL HB . 16811 1 1628 . 1 1 152 152 VAL HG11 H 1 0.6910 0.01 . 2 . . . . 152 VAL HG1# . 16811 1 1629 . 1 1 152 152 VAL HG12 H 1 0.6910 0.01 . 2 . . . . 152 VAL HG1# . 16811 1 1630 . 1 1 152 152 VAL HG13 H 1 0.6910 0.01 . 2 . . . . 152 VAL HG1# . 16811 1 1631 . 1 1 152 152 VAL HG21 H 1 0.8010 0.01 . 2 . . . . 152 VAL HG2# . 16811 1 1632 . 1 1 152 152 VAL HG22 H 1 0.8010 0.01 . 2 . . . . 152 VAL HG2# . 16811 1 1633 . 1 1 152 152 VAL HG23 H 1 0.8010 0.01 . 2 . . . . 152 VAL HG2# . 16811 1 1634 . 1 1 152 152 VAL C C 13 176.5000 0.25 . 1 . . . . 152 VAL C . 16811 1 1635 . 1 1 152 152 VAL CA C 13 62.4690 0.25 . 1 . . . . 152 VAL CA . 16811 1 1636 . 1 1 152 152 VAL CB C 13 33.2700 0.25 . 1 . . . . 152 VAL CB . 16811 1 1637 . 1 1 152 152 VAL CG1 C 13 20.6300 0.25 . 2 . . . . 152 VAL CG1 . 16811 1 1638 . 1 1 152 152 VAL CG2 C 13 21.1800 0.25 . 2 . . . . 152 VAL CG2 . 16811 1 1639 . 1 1 152 152 VAL N N 15 126.4200 0.13 . 1 . . . . 152 VAL N . 16811 1 1640 . 1 1 153 153 GLY H H 1 7.4800 0.01 . 1 . . . . 153 GLY HN . 16811 1 1641 . 1 1 153 153 GLY HA2 H 1 4.1900 0.01 . 2 . . . . 153 GLY HA1 . 16811 1 1642 . 1 1 153 153 GLY HA3 H 1 4.0800 0.01 . 2 . . . . 153 GLY HA2 . 16811 1 1643 . 1 1 153 153 GLY C C 13 170.3500 0.25 . 1 . . . . 153 GLY C . 16811 1 1644 . 1 1 153 153 GLY CA C 13 45.8600 0.25 . 1 . . . . 153 GLY CA . 16811 1 1645 . 1 1 153 153 GLY N N 15 107.4500 0.13 . 1 . . . . 153 GLY N . 16811 1 1646 . 1 1 154 154 THR H H 1 7.9300 0.01 . 1 . . . . 154 THR HN . 16811 1 1647 . 1 1 154 154 THR HA H 1 4.9370 0.01 . 1 . . . . 154 THR HA . 16811 1 1648 . 1 1 154 154 THR HB H 1 3.7090 0.01 . 1 . . . . 154 THR HB . 16811 1 1649 . 1 1 154 154 THR HG21 H 1 0.8360 0.01 . 2 . . . . 154 THR HG2# . 16811 1 1650 . 1 1 154 154 THR HG22 H 1 0.8360 0.01 . 2 . . . . 154 THR HG2# . 16811 1 1651 . 1 1 154 154 THR HG23 H 1 0.8360 0.01 . 2 . . . . 154 THR HG2# . 16811 1 1652 . 1 1 154 154 THR C C 13 173.0600 0.25 . 1 . . . . 154 THR C . 16811 1 1653 . 1 1 154 154 THR CA C 13 61.0800 0.25 . 1 . . . . 154 THR CA . 16811 1 1654 . 1 1 154 154 THR CB C 13 71.3440 0.25 . 1 . . . . 154 THR CB . 16811 1 1655 . 1 1 154 154 THR CG2 C 13 21.2700 0.25 . 1 . . . . 154 THR CG2 . 16811 1 1656 . 1 1 154 154 THR N N 15 114.3800 0.13 . 1 . . . . 154 THR N . 16811 1 1657 . 1 1 155 155 LYS H H 1 8.6100 0.01 . 1 . . . . 155 LYS HN . 16811 1 1658 . 1 1 155 155 LYS HA H 1 4.5260 0.01 . 1 . . . . 155 LYS HA . 16811 1 1659 . 1 1 155 155 LYS HB2 H 1 1.7700 0.01 . 2 . . . . 155 LYS HB1 . 16811 1 1660 . 1 1 155 155 LYS HB3 H 1 1.5900 0.01 . 2 . . . . 155 LYS HB2 . 16811 1 1661 . 1 1 155 155 LYS HG2 H 1 1.3600 0.01 . 2 . . . . 155 LYS HG1 . 16811 1 1662 . 1 1 155 155 LYS HG3 H 1 1.3600 0.01 . 2 . . . . 155 LYS HG2 . 16811 1 1663 . 1 1 155 155 LYS C C 13 174.2600 0.25 . 1 . . . . 155 LYS C . 16811 1 1664 . 1 1 155 155 LYS CA C 13 54.8220 0.25 . 1 . . . . 155 LYS CA . 16811 1 1665 . 1 1 155 155 LYS CB C 13 36.3000 0.25 . 1 . . . . 155 LYS CB . 16811 1 1666 . 1 1 155 155 LYS CG C 13 24.1400 0.25 . 1 . . . . 155 LYS CG . 16811 1 1667 . 1 1 155 155 LYS N N 15 124.2400 0.13 . 1 . . . . 155 LYS N . 16811 1 1668 . 1 1 156 156 ALA H H 1 8.3600 0.01 . 1 . . . . 156 ALA HN . 16811 1 1669 . 1 1 156 156 ALA HA H 1 4.7350 0.01 . 1 . . . . 156 ALA HA . 16811 1 1670 . 1 1 156 156 ALA HB1 H 1 1.3400 0.01 . 2 . . . . 156 ALA HB# . 16811 1 1671 . 1 1 156 156 ALA HB2 H 1 1.3400 0.01 . 2 . . . . 156 ALA HB# . 16811 1 1672 . 1 1 156 156 ALA HB3 H 1 1.3400 0.01 . 2 . . . . 156 ALA HB# . 16811 1 1673 . 1 1 156 156 ALA C C 13 178.2200 0.25 . 1 . . . . 156 ALA C . 16811 1 1674 . 1 1 156 156 ALA CA C 13 52.2250 0.25 . 1 . . . . 156 ALA CA . 16811 1 1675 . 1 1 156 156 ALA CB C 13 18.8800 0.25 . 1 . . . . 156 ALA CB . 16811 1 1676 . 1 1 156 156 ALA N N 15 125.3600 0.13 . 1 . . . . 156 ALA N . 16811 1 1677 . 1 1 157 157 LYS H H 1 8.3900 0.01 . 1 . . . . 157 LYS HN . 16811 1 1678 . 1 1 157 157 LYS HA H 1 4.1790 0.01 . 1 . . . . 157 LYS HA . 16811 1 1679 . 1 1 157 157 LYS HB2 H 1 1.6720 0.01 . 2 . . . . 157 LYS HB1 . 16811 1 1680 . 1 1 157 157 LYS HB3 H 1 1.5930 0.01 . 2 . . . . 157 LYS HB2 . 16811 1 1681 . 1 1 157 157 LYS HE2 H 1 2.8430 0.01 . 2 . . . . 157 LYS HE1 . 16811 1 1682 . 1 1 157 157 LYS HE3 H 1 2.8430 0.01 . 2 . . . . 157 LYS HE2 . 16811 1 1683 . 1 1 157 157 LYS C C 13 174.8200 0.25 . 1 . . . . 157 LYS C . 16811 1 1684 . 1 1 157 157 LYS CA C 13 56.4520 0.25 . 1 . . . . 157 LYS CA . 16811 1 1685 . 1 1 157 157 LYS CB C 13 33.0900 0.25 . 1 . . . . 157 LYS CB . 16811 1 1686 . 1 1 157 157 LYS CE C 13 41.7400 0.25 . 1 . . . . 157 LYS CE . 16811 1 1687 . 1 1 157 157 LYS N N 15 122.9500 0.13 . 1 . . . . 157 LYS N . 16811 1 1688 . 1 1 158 158 LYS H H 1 7.8500 0.01 . 1 . . . . 158 LYS HN . 16811 1 1689 . 1 1 158 158 LYS HA H 1 4.1090 0.01 . 1 . . . . 158 LYS HA . 16811 1 1690 . 1 1 158 158 LYS HB2 H 1 1.6300 0.01 . 2 . . . . 158 LYS HB1 . 16811 1 1691 . 1 1 158 158 LYS HB3 H 1 1.7400 0.01 . 2 . . . . 158 LYS HB2 . 16811 1 1692 . 1 1 158 158 LYS HE2 H 1 2.9120 0.01 . 2 . . . . 158 LYS HE1 . 16811 1 1693 . 1 1 158 158 LYS HE3 H 1 2.9120 0.01 . 2 . . . . 158 LYS HE2 . 16811 1 1694 . 1 1 158 158 LYS HG2 H 1 1.3340 0.01 . 2 . . . . 158 LYS HG1 . 16811 1 1695 . 1 1 158 158 LYS HG3 H 1 1.3700 0.01 . 2 . . . . 158 LYS HG2 . 16811 1 1696 . 1 1 158 158 LYS C C 13 180.9900 0.25 . 1 . . . . 158 LYS C . 16811 1 1697 . 1 1 158 158 LYS CA C 13 57.3990 0.25 . 1 . . . . 158 LYS CA . 16811 1 1698 . 1 1 158 158 LYS CB C 13 33.8700 0.25 . 1 . . . . 158 LYS CB . 16811 1 1699 . 1 1 158 158 LYS CG C 13 26.7200 0.25 . 1 . . . . 158 LYS CG . 16811 1 1700 . 1 1 158 158 LYS N N 15 127.8800 0.13 . 1 . . . . 158 LYS N . 16811 1 stop_ save_