data_19169 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19169 _Entry.Title ; Solution structure of uncharacterized thioredoxin-like protein PG_2175 from Porphyromonas gingivalis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-16 _Entry.Accession_date 2013-04-16 _Entry.Last_release_date 2013-05-13 _Entry.Original_release_date 2013-05-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 R. Harris . . . 19169 2 M. Ahmed . . . 19169 3 J. Attonito . . . 19169 4 J. Bonanno . B. . 19169 5 S. Chamala . . . 19169 6 S. Chowdhury . . . 19169 7 B. Evans . . . 19169 8 A. Fiser . . . 19169 9 A. Glenn . S. . 19169 10 J. Hammonds . . . 19169 11 B. Hillerich . . . 19169 12 K. Khafizov . . . 19169 13 J. Lafleur . . . 19169 14 J. Love . D. . 19169 15 R. Seidel . D. . 19169 16 M. Stead . . . 19169 17 M. Girvin . E. . 19169 18 S. Almo . C. . 19169 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'New York Structural Genomics Research Consortium' . 19169 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'New York Structural Genomics Research Consortium' . 19169 'STRUCTURAL GENOMICS' . 19169 THIOREDOXIN-LIKE . 19169 'UNKNOWN FUNCTION' . 19169 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19169 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 669 19169 '15N chemical shifts' 163 19169 '1H chemical shifts' 1042 19169 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-05-13 2013-04-16 original author . 19169 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M72 'BMRB Entry Tracking System' 19169 TargetDB NYSGRC-011441 . 19169 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19169 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of uncharacterized thioredoxin-like protein PG_2175 from Porphyromonas gingivalis' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Harris . . . 19169 1 2 M. Ahmed . . . 19169 1 3 J. Attonito . . . 19169 1 4 J. Bonanno . B. . 19169 1 5 S. Chamala . . . 19169 1 6 S. Chowdhury . . . 19169 1 7 B. Evans . . . 19169 1 8 A. Fiser . . . 19169 1 9 A. Glenn . S. . 19169 1 10 J. Hammonds . . . 19169 1 11 B. Hillerich . . . 19169 1 12 K. Khafizov . . . 19169 1 13 J. Lafleur . . . 19169 1 14 J. Love . D. . 19169 1 15 R. Seidel . D. . 19169 1 16 M. Stead . . . 19169 1 17 M. Girvin . E. . 19169 1 18 S. Almo . C. . 19169 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19169 _Assembly.ID 1 _Assembly.Name PG_2175 _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 PG_2175 1 $PG_2175 A . yes native no no . . . 19169 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PG_2175 _Entity.Sf_category entity _Entity.Sf_framecode PG_2175 _Entity.Entry_ID 19169 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PG_2175 _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 ; MSLNTYAQLPAVSLKNIEGK TVQTNKLENAGKPMIISFFA TNCKPCLRELKAIQEVYADW QDETGVRLIAVSIDEGQNAQ KVKPLADGNGWEYEVLLDSN GDFKRAMNVSLIPAVFIVDG NGKIVYNHTGYTEGGEAELI KKVRELVKEGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17048.441 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M72 . "Solution Structure Of Uncharacterized Thioredoxin-like Protein Pg_2175 From Porphyromonas Gingivalis" . . . . . 100.00 156 100.00 100.00 4.50e-111 . . . . 19169 1 2 no DBJ BAG32639 . "conserved hypothetical protein [Porphyromonas gingivalis ATCC 33277]" . . . . . 94.87 160 97.30 99.32 2.01e-101 . . . . 19169 1 3 no DBJ BAK25401 . "hypothetical protein PGTDC60_1246 [Porphyromonas gingivalis TDC60]" . . . . . 94.87 160 97.97 99.32 4.45e-102 . . . . 19169 1 4 no DBJ GAP81477 . "AhpC/TSA family antioxidant [Porphyromonas gingivalis]" . . . . . 94.87 160 98.65 99.32 2.14e-102 . . . . 19169 1 5 no GB AAQ67124 . "conserved hypothetical protein [Porphyromonas gingivalis W83]" . . . . . 94.87 160 99.32 99.32 1.28e-102 . . . . 19169 1 6 no GB AIJ34993 . "hypothetical protein EG14_02570 [Porphyromonas gingivalis]" . . . . . 94.87 160 97.30 99.32 2.01e-101 . . . . 19169 1 7 no GB AKV65209 . "Peroxiredoxin [Porphyromonas gingivalis]" . . . . . 94.87 160 99.32 99.32 1.28e-102 . . . . 19169 1 8 no GB ALA94602 . "Peroxiredoxin [Porphyromonas gingivalis AJW4]" . . . . . 94.87 160 98.65 99.32 2.14e-102 . . . . 19169 1 9 no GB ALJ24608 . "Peroxiredoxin [Porphyromonas gingivalis 381]" . . . . . 94.87 160 97.30 99.32 2.01e-101 . . . . 19169 1 10 no REF WP_004584609 . "hypothetical protein [Porphyromonas gingivalis]" . . . . . 94.87 160 98.65 99.32 2.14e-102 . . . . 19169 1 11 no REF WP_005874961 . "hypothetical protein [Porphyromonas gingivalis]" . . . . . 94.87 160 99.32 99.32 1.28e-102 . . . . 19169 1 12 no REF WP_012457260 . "hypothetical protein [Porphyromonas gingivalis]" . . . . . 94.87 160 97.30 99.32 2.01e-101 . . . . 19169 1 13 no REF WP_013816004 . "hypothetical protein [Porphyromonas gingivalis]" . . . . . 94.87 160 97.97 99.32 4.45e-102 . . . . 19169 1 14 no REF WP_018965155 . "MULTISPECIES: hypothetical protein [Porphyromonas]" . . . . . 94.87 160 97.30 97.97 6.54e-101 . . . . 19169 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 1 MET . 19169 1 2 2 SER . 19169 1 3 3 LEU . 19169 1 4 4 ASN . 19169 1 5 5 THR . 19169 1 6 6 TYR . 19169 1 7 7 ALA . 19169 1 8 8 GLN . 19169 1 9 9 LEU . 19169 1 10 10 PRO . 19169 1 11 11 ALA . 19169 1 12 12 VAL . 19169 1 13 13 SER . 19169 1 14 14 LEU . 19169 1 15 15 LYS . 19169 1 16 16 ASN . 19169 1 17 17 ILE . 19169 1 18 18 GLU . 19169 1 19 19 GLY . 19169 1 20 20 LYS . 19169 1 21 21 THR . 19169 1 22 22 VAL . 19169 1 23 23 GLN . 19169 1 24 24 THR . 19169 1 25 25 ASN . 19169 1 26 26 LYS . 19169 1 27 27 LEU . 19169 1 28 28 GLU . 19169 1 29 29 ASN . 19169 1 30 30 ALA . 19169 1 31 31 GLY . 19169 1 32 32 LYS . 19169 1 33 33 PRO . 19169 1 34 34 MET . 19169 1 35 35 ILE . 19169 1 36 36 ILE . 19169 1 37 37 SER . 19169 1 38 38 PHE . 19169 1 39 39 PHE . 19169 1 40 40 ALA . 19169 1 41 41 THR . 19169 1 42 42 ASN . 19169 1 43 43 CYS . 19169 1 44 44 LYS . 19169 1 45 45 PRO . 19169 1 46 46 CYS . 19169 1 47 47 LEU . 19169 1 48 48 ARG . 19169 1 49 49 GLU . 19169 1 50 50 LEU . 19169 1 51 51 LYS . 19169 1 52 52 ALA . 19169 1 53 53 ILE . 19169 1 54 54 GLN . 19169 1 55 55 GLU . 19169 1 56 56 VAL . 19169 1 57 57 TYR . 19169 1 58 58 ALA . 19169 1 59 59 ASP . 19169 1 60 60 TRP . 19169 1 61 61 GLN . 19169 1 62 62 ASP . 19169 1 63 63 GLU . 19169 1 64 64 THR . 19169 1 65 65 GLY . 19169 1 66 66 VAL . 19169 1 67 67 ARG . 19169 1 68 68 LEU . 19169 1 69 69 ILE . 19169 1 70 70 ALA . 19169 1 71 71 VAL . 19169 1 72 72 SER . 19169 1 73 73 ILE . 19169 1 74 74 ASP . 19169 1 75 75 GLU . 19169 1 76 76 GLY . 19169 1 77 77 GLN . 19169 1 78 78 ASN . 19169 1 79 79 ALA . 19169 1 80 80 GLN . 19169 1 81 81 LYS . 19169 1 82 82 VAL . 19169 1 83 83 LYS . 19169 1 84 84 PRO . 19169 1 85 85 LEU . 19169 1 86 86 ALA . 19169 1 87 87 ASP . 19169 1 88 88 GLY . 19169 1 89 89 ASN . 19169 1 90 90 GLY . 19169 1 91 91 TRP . 19169 1 92 92 GLU . 19169 1 93 93 TYR . 19169 1 94 94 GLU . 19169 1 95 95 VAL . 19169 1 96 96 LEU . 19169 1 97 97 LEU . 19169 1 98 98 ASP . 19169 1 99 99 SER . 19169 1 100 100 ASN . 19169 1 101 101 GLY . 19169 1 102 102 ASP . 19169 1 103 103 PHE . 19169 1 104 104 LYS . 19169 1 105 105 ARG . 19169 1 106 106 ALA . 19169 1 107 107 MET . 19169 1 108 108 ASN . 19169 1 109 109 VAL . 19169 1 110 110 SER . 19169 1 111 111 LEU . 19169 1 112 112 ILE . 19169 1 113 113 PRO . 19169 1 114 114 ALA . 19169 1 115 115 VAL . 19169 1 116 116 PHE . 19169 1 117 117 ILE . 19169 1 118 118 VAL . 19169 1 119 119 ASP . 19169 1 120 120 GLY . 19169 1 121 121 ASN . 19169 1 122 122 GLY . 19169 1 123 123 LYS . 19169 1 124 124 ILE . 19169 1 125 125 VAL . 19169 1 126 126 TYR . 19169 1 127 127 ASN . 19169 1 128 128 HIS . 19169 1 129 129 THR . 19169 1 130 130 GLY . 19169 1 131 131 TYR . 19169 1 132 132 THR . 19169 1 133 133 GLU . 19169 1 134 134 GLY . 19169 1 135 135 GLY . 19169 1 136 136 GLU . 19169 1 137 137 ALA . 19169 1 138 138 GLU . 19169 1 139 139 LEU . 19169 1 140 140 ILE . 19169 1 141 141 LYS . 19169 1 142 142 LYS . 19169 1 143 143 VAL . 19169 1 144 144 ARG . 19169 1 145 145 GLU . 19169 1 146 146 LEU . 19169 1 147 147 VAL . 19169 1 148 148 LYS . 19169 1 149 149 GLU . 19169 1 150 150 GLY . 19169 1 151 151 HIS . 19169 1 152 152 HIS . 19169 1 153 153 HIS . 19169 1 154 154 HIS . 19169 1 155 155 HIS . 19169 1 156 156 HIS . 19169 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 . MET 1 1 19169 1 . SER 2 2 19169 1 . LEU 3 3 19169 1 . ASN 4 4 19169 1 . THR 5 5 19169 1 . TYR 6 6 19169 1 . ALA 7 7 19169 1 . GLN 8 8 19169 1 . LEU 9 9 19169 1 . PRO 10 10 19169 1 . ALA 11 11 19169 1 . VAL 12 12 19169 1 . SER 13 13 19169 1 . LEU 14 14 19169 1 . LYS 15 15 19169 1 . ASN 16 16 19169 1 . ILE 17 17 19169 1 . GLU 18 18 19169 1 . GLY 19 19 19169 1 . LYS 20 20 19169 1 . THR 21 21 19169 1 . VAL 22 22 19169 1 . GLN 23 23 19169 1 . THR 24 24 19169 1 . ASN 25 25 19169 1 . LYS 26 26 19169 1 . LEU 27 27 19169 1 . GLU 28 28 19169 1 . ASN 29 29 19169 1 . ALA 30 30 19169 1 . GLY 31 31 19169 1 . LYS 32 32 19169 1 . PRO 33 33 19169 1 . MET 34 34 19169 1 . ILE 35 35 19169 1 . ILE 36 36 19169 1 . SER 37 37 19169 1 . PHE 38 38 19169 1 . PHE 39 39 19169 1 . ALA 40 40 19169 1 . THR 41 41 19169 1 . ASN 42 42 19169 1 . CYS 43 43 19169 1 . LYS 44 44 19169 1 . PRO 45 45 19169 1 . CYS 46 46 19169 1 . LEU 47 47 19169 1 . ARG 48 48 19169 1 . GLU 49 49 19169 1 . LEU 50 50 19169 1 . LYS 51 51 19169 1 . ALA 52 52 19169 1 . ILE 53 53 19169 1 . GLN 54 54 19169 1 . GLU 55 55 19169 1 . VAL 56 56 19169 1 . TYR 57 57 19169 1 . ALA 58 58 19169 1 . ASP 59 59 19169 1 . TRP 60 60 19169 1 . GLN 61 61 19169 1 . ASP 62 62 19169 1 . GLU 63 63 19169 1 . THR 64 64 19169 1 . GLY 65 65 19169 1 . VAL 66 66 19169 1 . ARG 67 67 19169 1 . LEU 68 68 19169 1 . ILE 69 69 19169 1 . ALA 70 70 19169 1 . VAL 71 71 19169 1 . SER 72 72 19169 1 . ILE 73 73 19169 1 . ASP 74 74 19169 1 . GLU 75 75 19169 1 . GLY 76 76 19169 1 . GLN 77 77 19169 1 . ASN 78 78 19169 1 . ALA 79 79 19169 1 . GLN 80 80 19169 1 . LYS 81 81 19169 1 . VAL 82 82 19169 1 . LYS 83 83 19169 1 . PRO 84 84 19169 1 . LEU 85 85 19169 1 . ALA 86 86 19169 1 . ASP 87 87 19169 1 . GLY 88 88 19169 1 . ASN 89 89 19169 1 . GLY 90 90 19169 1 . TRP 91 91 19169 1 . GLU 92 92 19169 1 . TYR 93 93 19169 1 . GLU 94 94 19169 1 . VAL 95 95 19169 1 . LEU 96 96 19169 1 . LEU 97 97 19169 1 . ASP 98 98 19169 1 . SER 99 99 19169 1 . ASN 100 100 19169 1 . GLY 101 101 19169 1 . ASP 102 102 19169 1 . PHE 103 103 19169 1 . LYS 104 104 19169 1 . ARG 105 105 19169 1 . ALA 106 106 19169 1 . MET 107 107 19169 1 . ASN 108 108 19169 1 . VAL 109 109 19169 1 . SER 110 110 19169 1 . LEU 111 111 19169 1 . ILE 112 112 19169 1 . PRO 113 113 19169 1 . ALA 114 114 19169 1 . VAL 115 115 19169 1 . PHE 116 116 19169 1 . ILE 117 117 19169 1 . VAL 118 118 19169 1 . ASP 119 119 19169 1 . GLY 120 120 19169 1 . ASN 121 121 19169 1 . GLY 122 122 19169 1 . LYS 123 123 19169 1 . ILE 124 124 19169 1 . VAL 125 125 19169 1 . TYR 126 126 19169 1 . ASN 127 127 19169 1 . HIS 128 128 19169 1 . THR 129 129 19169 1 . GLY 130 130 19169 1 . TYR 131 131 19169 1 . THR 132 132 19169 1 . GLU 133 133 19169 1 . GLY 134 134 19169 1 . GLY 135 135 19169 1 . GLU 136 136 19169 1 . ALA 137 137 19169 1 . GLU 138 138 19169 1 . LEU 139 139 19169 1 . ILE 140 140 19169 1 . LYS 141 141 19169 1 . LYS 142 142 19169 1 . VAL 143 143 19169 1 . ARG 144 144 19169 1 . GLU 145 145 19169 1 . LEU 146 146 19169 1 . VAL 147 147 19169 1 . LYS 148 148 19169 1 . GLU 149 149 19169 1 . GLY 150 150 19169 1 . HIS 151 151 19169 1 . HIS 152 152 19169 1 . HIS 153 153 19169 1 . HIS 154 154 19169 1 . HIS 155 155 19169 1 . HIS 156 156 19169 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 19169 _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 $PG_2175 . 837 organism . 'Porphyromonas gingivalis' 'CFB group bacteria' . . Bacteria . Porphyromonas gingivalis . . . . . . . . . . . . . . . . PG_2175 . . . . 19169 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 19169 _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 $PG_2175 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . pET . . 'modified pET26' . . . . . . 19169 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19169 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10mM Na acetate buffer pH 4.5, 3mM DTT, 0.1mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PG_2175 '[U-100% 13C; U-100% 15N]' . . 1 $PG_2175 . . 1 . . mM . . . . 19169 1 2 D20 'natural abundance' . . . . . . 10 . . % . . . . 19169 1 3 H20 'natural abundance' . . . . . . 90 . . % . . . . 19169 1 4 'Na acetate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 19169 1 5 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 19169 1 6 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 19169 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19169 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10mM Na acetate buffer pH 4.5, 3mM DTT, 0.1mM EDTA' _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 PG_2175 '[U-100% 13C; U-100% 15N]' . . 1 $PG_2175 . . 1 . . mM . . . . 19169 2 2 D20 'natural abundance' . . . . . . 100 . . % . . . . 19169 2 3 'Na acetate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 19169 2 4 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 19169 2 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 19169 2 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 19169 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 19169 1 pH 4.5 . pH 19169 1 pressure 1 . atm 19169 1 temperature 298 . K 19169 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 19169 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 19169 2 pH 4.5 . pH 19169 2 pressure 1 . atm 19169 2 temperature 298 . K 19169 2 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19169 _Software.ID 1 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 19169 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calcuation' 19169 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19169 _Software.ID 2 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19169 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calcuation' 19169 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19169 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 2.32 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19169 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19169 3 'structure solution' 19169 3 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 19169 _Software.ID 4 _Software.Name CCPN_Analysis _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19169 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19169 4 'data analysis' 19169 4 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 19169 _Software.ID 5 _Software.Name MDDNMR _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDNMR) Orekhov, Jaravine, Kazimierczuk' . . 19169 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19169 5 processing 19169 5 stop_ save_ save_MDDGUI _Software.Sf_category software _Software.Sf_framecode MDDGUI _Software.Entry_ID 19169 _Software.ID 6 _Software.Name MDDGUI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDGUI) Lemak, Gutmanas, Chitayat, Karra, Fares, Sunnerhagen, Arrowsmith' . . 19169 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19169 6 processing 19169 6 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19169 _Software.ID 7 _Software.Name NMRPipe _Software.Version 7.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19169 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19169 7 stop_ save_ save_SIDER _Software.Sf_category software _Software.Sf_framecode SIDER _Software.Entry_ID 19169 _Software.ID 8 _Software.Name SIDER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Hansen . http://www.biochem.ucl.ac.uk/hansen/sider/ 19169 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19169 8 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19169 _Software.ID 9 _Software.Name VNMRJ _Software.Version 2.2D _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19169 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19169 9 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19169 _Software.ID 10 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19169 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19169 10 stop_ save_ save_MOLPROBITY _Software.Sf_category software _Software.Sf_framecode MOLPROBITY _Software.Entry_ID 19169 _Software.ID 11 _Software.Name MolProbity _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Richardson . . 19169 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19169 11 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 19169 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19169 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19169 _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 Varian Inova . 600 . 1 $citations 19169 1 2 spectrometer_2 Bruker Avance . 700 . . . 19169 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 19169 _Experiment_list.ID 1 _Experiment_list.Details 'All 3Ds were collected as NUS (30%) using the MDDNMR approach' 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 '15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19169 1 2 '15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19169 1 3 '13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19169 1 4 'aromatic 13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19169 1 5 '13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19169 1 6 '13C aromatic NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19169 1 7 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19169 1 8 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19169 1 9 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19169 1 10 HNCOCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19169 1 11 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19169 1 12 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19169 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 19169 _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 . . . . . . . . . 19169 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19169 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19169 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 19169 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '15N HSQC' . . . 19169 1 3 '13C HSQC' . . . 19169 1 4 'aromatic 13C HSQC' . . . 19169 1 7 HNCO . . . 19169 1 8 HNCACO . . . 19169 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 ASN H H 1 8.459 0.002 . 1 . . . A 4 ASN H . 19169 1 2 . 1 1 4 4 ASN HA H 1 4.670 0.009 . 1 . . . A 4 ASN HA . 19169 1 3 . 1 1 4 4 ASN HB2 H 1 2.619 0.008 . 1 . . . A 4 ASN HB2 . 19169 1 4 . 1 1 4 4 ASN HB3 H 1 2.619 0.008 . 1 . . . A 4 ASN HB3 . 19169 1 5 . 1 1 4 4 ASN HD21 H 1 6.888 0.003 . 1 . . . A 4 ASN HD21 . 19169 1 6 . 1 1 4 4 ASN HD22 H 1 7.516 0.002 . 1 . . . A 4 ASN HD22 . 19169 1 7 . 1 1 4 4 ASN C C 13 174.825 0.005 . 1 . . . A 4 ASN C . 19169 1 8 . 1 1 4 4 ASN CA C 13 53.062 0.006 . 1 . . . A 4 ASN CA . 19169 1 9 . 1 1 4 4 ASN CB C 13 38.977 0.009 . 1 . . . A 4 ASN CB . 19169 1 10 . 1 1 4 4 ASN CG C 13 176.954 0.016 . 1 . . . A 4 ASN CG . 19169 1 11 . 1 1 4 4 ASN N N 15 120.029 0.015 . 1 . . . A 4 ASN N . 19169 1 12 . 1 1 4 4 ASN ND2 N 15 112.748 0.015 . 1 . . . A 4 ASN ND2 . 19169 1 13 . 1 1 5 5 THR H H 1 8.013 0.004 . 1 . . . A 5 THR H . 19169 1 14 . 1 1 5 5 THR HA H 1 4.198 0.007 . 1 . . . A 5 THR HA . 19169 1 15 . 1 1 5 5 THR HB H 1 4.052 0.008 . 1 . . . A 5 THR HB . 19169 1 16 . 1 1 5 5 THR HG21 H 1 1.045 0.010 . 1 . . . A 5 THR HG21 . 19169 1 17 . 1 1 5 5 THR HG22 H 1 1.045 0.010 . 1 . . . A 5 THR HG22 . 19169 1 18 . 1 1 5 5 THR HG23 H 1 1.045 0.010 . 1 . . . A 5 THR HG23 . 19169 1 19 . 1 1 5 5 THR C C 13 174.003 0.007 . 1 . . . A 5 THR C . 19169 1 20 . 1 1 5 5 THR CA C 13 61.656 0.007 . 1 . . . A 5 THR CA . 19169 1 21 . 1 1 5 5 THR CB C 13 69.504 0.012 . 1 . . . A 5 THR CB . 19169 1 22 . 1 1 5 5 THR CG2 C 13 21.368 0.020 . 1 . . . A 5 THR CG2 . 19169 1 23 . 1 1 5 5 THR N N 15 114.941 0.021 . 1 . . . A 5 THR N . 19169 1 24 . 1 1 6 6 TYR H H 1 8.091 0.003 . 1 . . . A 6 TYR H . 19169 1 25 . 1 1 6 6 TYR HA H 1 4.728 0.004 . 1 . . . A 6 TYR HA . 19169 1 26 . 1 1 6 6 TYR HB2 H 1 3.180 0.004 . 2 . . . A 6 TYR HB2 . 19169 1 27 . 1 1 6 6 TYR HB3 H 1 2.800 0.005 . 2 . . . A 6 TYR HB3 . 19169 1 28 . 1 1 6 6 TYR HD1 H 1 7.096 0.007 . 3 . . . A 6 TYR HD1 . 19169 1 29 . 1 1 6 6 TYR HD2 H 1 7.096 0.007 . 3 . . . A 6 TYR HD2 . 19169 1 30 . 1 1 6 6 TYR HE1 H 1 6.813 0.003 . 3 . . . A 6 TYR HE1 . 19169 1 31 . 1 1 6 6 TYR HE2 H 1 6.813 0.003 . 3 . . . A 6 TYR HE2 . 19169 1 32 . 1 1 6 6 TYR C C 13 175.518 0.006 . 1 . . . A 6 TYR C . 19169 1 33 . 1 1 6 6 TYR CA C 13 57.113 0.042 . 1 . . . A 6 TYR CA . 19169 1 34 . 1 1 6 6 TYR CB C 13 39.272 0.022 . 1 . . . A 6 TYR CB . 19169 1 35 . 1 1 6 6 TYR CD1 C 13 133.159 0.027 . 3 . . . A 6 TYR CD1 . 19169 1 36 . 1 1 6 6 TYR CD2 C 13 133.159 0.027 . 3 . . . A 6 TYR CD2 . 19169 1 37 . 1 1 6 6 TYR CE1 C 13 118.027 0.068 . 3 . . . A 6 TYR CE1 . 19169 1 38 . 1 1 6 6 TYR CE2 C 13 118.027 0.068 . 3 . . . A 6 TYR CE2 . 19169 1 39 . 1 1 6 6 TYR N N 15 122.062 0.018 . 1 . . . A 6 TYR N . 19169 1 40 . 1 1 7 7 ALA H H 1 8.578 0.003 . 1 . . . A 7 ALA H . 19169 1 41 . 1 1 7 7 ALA HA H 1 4.423 0.005 . 1 . . . A 7 ALA HA . 19169 1 42 . 1 1 7 7 ALA HB1 H 1 1.468 0.007 . 1 . . . A 7 ALA HB1 . 19169 1 43 . 1 1 7 7 ALA HB2 H 1 1.468 0.007 . 1 . . . A 7 ALA HB2 . 19169 1 44 . 1 1 7 7 ALA HB3 H 1 1.468 0.007 . 1 . . . A 7 ALA HB3 . 19169 1 45 . 1 1 7 7 ALA C C 13 176.982 0.020 . 1 . . . A 7 ALA C . 19169 1 46 . 1 1 7 7 ALA CA C 13 52.262 0.057 . 1 . . . A 7 ALA CA . 19169 1 47 . 1 1 7 7 ALA CB C 13 19.732 0.006 . 1 . . . A 7 ALA CB . 19169 1 48 . 1 1 7 7 ALA N N 15 124.450 0.015 . 1 . . . A 7 ALA N . 19169 1 49 . 1 1 8 8 GLN HA H 1 4.696 0.006 . 1 . . . A 8 GLN HA . 19169 1 50 . 1 1 8 8 GLN HB2 H 1 2.187 0.007 . 2 . . . A 8 GLN HB2 . 19169 1 51 . 1 1 8 8 GLN HB3 H 1 2.025 0.004 . 2 . . . A 8 GLN HB3 . 19169 1 52 . 1 1 8 8 GLN HG2 H 1 2.374 0.004 . 1 . . . A 8 GLN HG2 . 19169 1 53 . 1 1 8 8 GLN HG3 H 1 2.374 0.004 . 1 . . . A 8 GLN HG3 . 19169 1 54 . 1 1 8 8 GLN HE21 H 1 7.531 0.020 . 1 . . . A 8 GLN HE21 . 19169 1 55 . 1 1 8 8 GLN HE22 H 1 6.887 0.002 . 1 . . . A 8 GLN HE22 . 19169 1 56 . 1 1 8 8 GLN C C 13 175.508 0.012 . 1 . . . A 8 GLN C . 19169 1 57 . 1 1 8 8 GLN CA C 13 54.588 0.028 . 1 . . . A 8 GLN CA . 19169 1 58 . 1 1 8 8 GLN CB C 13 29.593 0.030 . 1 . . . A 8 GLN CB . 19169 1 59 . 1 1 8 8 GLN CG C 13 33.859 0.058 . 1 . . . A 8 GLN CG . 19169 1 60 . 1 1 8 8 GLN CD C 13 180.573 0.020 . 1 . . . A 8 GLN CD . 19169 1 61 . 1 1 8 8 GLN NE2 N 15 111.812 0.020 . 1 . . . A 8 GLN NE2 . 19169 1 62 . 1 1 9 9 LEU H H 1 8.305 0.003 . 1 . . . A 9 LEU H . 19169 1 63 . 1 1 9 9 LEU HA H 1 4.474 0.009 . 1 . . . A 9 LEU HA . 19169 1 64 . 1 1 9 9 LEU HB2 H 1 1.769 0.005 . 2 . . . A 9 LEU HB2 . 19169 1 65 . 1 1 9 9 LEU HB3 H 1 1.403 0.011 . 2 . . . A 9 LEU HB3 . 19169 1 66 . 1 1 9 9 LEU HG H 1 1.723 0.011 . 1 . . . A 9 LEU HG . 19169 1 67 . 1 1 9 9 LEU HD11 H 1 1.048 0.003 . 2 . . . A 9 LEU HD11 . 19169 1 68 . 1 1 9 9 LEU HD12 H 1 1.048 0.003 . 2 . . . A 9 LEU HD12 . 19169 1 69 . 1 1 9 9 LEU HD13 H 1 1.048 0.003 . 2 . . . A 9 LEU HD13 . 19169 1 70 . 1 1 9 9 LEU HD21 H 1 0.909 0.005 . 2 . . . A 9 LEU HD21 . 19169 1 71 . 1 1 9 9 LEU HD22 H 1 0.909 0.005 . 2 . . . A 9 LEU HD22 . 19169 1 72 . 1 1 9 9 LEU HD23 H 1 0.909 0.005 . 2 . . . A 9 LEU HD23 . 19169 1 73 . 1 1 9 9 LEU C C 13 174.640 0.020 . 1 . . . A 9 LEU C . 19169 1 74 . 1 1 9 9 LEU CA C 13 53.028 0.003 . 1 . . . A 9 LEU CA . 19169 1 75 . 1 1 9 9 LEU CB C 13 42.414 0.056 . 1 . . . A 9 LEU CB . 19169 1 76 . 1 1 9 9 LEU CG C 13 27.149 0.029 . 1 . . . A 9 LEU CG . 19169 1 77 . 1 1 9 9 LEU CD1 C 13 25.926 0.042 . 2 . . . A 9 LEU CD1 . 19169 1 78 . 1 1 9 9 LEU CD2 C 13 23.900 0.063 . 2 . . . A 9 LEU CD2 . 19169 1 79 . 1 1 9 9 LEU N N 15 122.487 0.031 . 1 . . . A 9 LEU N . 19169 1 80 . 1 1 10 10 PRO HA H 1 4.472 0.007 . 1 . . . A 10 PRO HA . 19169 1 81 . 1 1 10 10 PRO HB2 H 1 2.354 0.005 . 2 . . . A 10 PRO HB2 . 19169 1 82 . 1 1 10 10 PRO HB3 H 1 1.747 0.009 . 2 . . . A 10 PRO HB3 . 19169 1 83 . 1 1 10 10 PRO HG2 H 1 1.766 0.004 . 2 . . . A 10 PRO HG2 . 19169 1 84 . 1 1 10 10 PRO HG3 H 1 1.879 0.010 . 2 . . . A 10 PRO HG3 . 19169 1 85 . 1 1 10 10 PRO HD2 H 1 3.654 0.006 . 2 . . . A 10 PRO HD2 . 19169 1 86 . 1 1 10 10 PRO HD3 H 1 3.894 0.007 . 2 . . . A 10 PRO HD3 . 19169 1 87 . 1 1 10 10 PRO C C 13 174.783 0.020 . 1 . . . A 10 PRO C . 19169 1 88 . 1 1 10 10 PRO CA C 13 62.210 0.054 . 1 . . . A 10 PRO CA . 19169 1 89 . 1 1 10 10 PRO CB C 13 32.821 0.052 . 1 . . . A 10 PRO CB . 19169 1 90 . 1 1 10 10 PRO CG C 13 27.349 0.032 . 1 . . . A 10 PRO CG . 19169 1 91 . 1 1 10 10 PRO CD C 13 51.037 0.033 . 1 . . . A 10 PRO CD . 19169 1 92 . 1 1 11 11 ALA H H 1 8.526 0.003 . 1 . . . A 11 ALA H . 19169 1 93 . 1 1 11 11 ALA HA H 1 4.224 0.006 . 1 . . . A 11 ALA HA . 19169 1 94 . 1 1 11 11 ALA HB1 H 1 1.181 0.007 . 1 . . . A 11 ALA HB1 . 19169 1 95 . 1 1 11 11 ALA HB2 H 1 1.181 0.007 . 1 . . . A 11 ALA HB2 . 19169 1 96 . 1 1 11 11 ALA HB3 H 1 1.181 0.007 . 1 . . . A 11 ALA HB3 . 19169 1 97 . 1 1 11 11 ALA C C 13 174.909 0.037 . 1 . . . A 11 ALA C . 19169 1 98 . 1 1 11 11 ALA CA C 13 52.203 0.022 . 1 . . . A 11 ALA CA . 19169 1 99 . 1 1 11 11 ALA CB C 13 18.839 0.016 . 1 . . . A 11 ALA CB . 19169 1 100 . 1 1 11 11 ALA N N 15 124.416 0.029 . 1 . . . A 11 ALA N . 19169 1 101 . 1 1 12 12 VAL H H 1 8.038 0.004 . 1 . . . A 12 VAL H . 19169 1 102 . 1 1 12 12 VAL HA H 1 4.223 0.006 . 1 . . . A 12 VAL HA . 19169 1 103 . 1 1 12 12 VAL HB H 1 1.880 0.008 . 1 . . . A 12 VAL HB . 19169 1 104 . 1 1 12 12 VAL HG11 H 1 0.890 0.005 . 2 . . . A 12 VAL HG11 . 19169 1 105 . 1 1 12 12 VAL HG12 H 1 0.890 0.005 . 2 . . . A 12 VAL HG12 . 19169 1 106 . 1 1 12 12 VAL HG13 H 1 0.890 0.005 . 2 . . . A 12 VAL HG13 . 19169 1 107 . 1 1 12 12 VAL HG21 H 1 0.736 0.007 . 2 . . . A 12 VAL HG21 . 19169 1 108 . 1 1 12 12 VAL HG22 H 1 0.736 0.007 . 2 . . . A 12 VAL HG22 . 19169 1 109 . 1 1 12 12 VAL HG23 H 1 0.736 0.007 . 2 . . . A 12 VAL HG23 . 19169 1 110 . 1 1 12 12 VAL C C 13 174.158 0.008 . 1 . . . A 12 VAL C . 19169 1 111 . 1 1 12 12 VAL CA C 13 60.890 0.031 . 1 . . . A 12 VAL CA . 19169 1 112 . 1 1 12 12 VAL CB C 13 35.093 0.021 . 1 . . . A 12 VAL CB . 19169 1 113 . 1 1 12 12 VAL CG1 C 13 22.517 0.024 . 2 . . . A 12 VAL CG1 . 19169 1 114 . 1 1 12 12 VAL CG2 C 13 21.415 0.025 . 2 . . . A 12 VAL CG2 . 19169 1 115 . 1 1 12 12 VAL N N 15 125.077 0.024 . 1 . . . A 12 VAL N . 19169 1 116 . 1 1 13 13 SER H H 1 8.563 0.003 . 1 . . . A 13 SER H . 19169 1 117 . 1 1 13 13 SER HA H 1 5.237 0.004 . 1 . . . A 13 SER HA . 19169 1 118 . 1 1 13 13 SER HB2 H 1 3.706 0.006 . 1 . . . A 13 SER HB2 . 19169 1 119 . 1 1 13 13 SER HB3 H 1 3.706 0.006 . 1 . . . A 13 SER HB3 . 19169 1 120 . 1 1 13 13 SER C C 13 173.359 0.012 . 1 . . . A 13 SER C . 19169 1 121 . 1 1 13 13 SER CA C 13 57.182 0.019 . 1 . . . A 13 SER CA . 19169 1 122 . 1 1 13 13 SER CB C 13 63.568 0.014 . 1 . . . A 13 SER CB . 19169 1 123 . 1 1 13 13 SER N N 15 121.215 0.050 . 1 . . . A 13 SER N . 19169 1 124 . 1 1 14 14 LEU H H 1 8.897 0.003 . 1 . . . A 14 LEU H . 19169 1 125 . 1 1 14 14 LEU HA H 1 4.894 0.009 . 1 . . . A 14 LEU HA . 19169 1 126 . 1 1 14 14 LEU HB2 H 1 1.743 0.007 . 2 . . . A 14 LEU HB2 . 19169 1 127 . 1 1 14 14 LEU HB3 H 1 1.678 0.009 . 2 . . . A 14 LEU HB3 . 19169 1 128 . 1 1 14 14 LEU HG H 1 1.426 0.012 . 1 . . . A 14 LEU HG . 19169 1 129 . 1 1 14 14 LEU HD11 H 1 0.611 0.006 . 2 . . . A 14 LEU HD11 . 19169 1 130 . 1 1 14 14 LEU HD12 H 1 0.611 0.006 . 2 . . . A 14 LEU HD12 . 19169 1 131 . 1 1 14 14 LEU HD13 H 1 0.611 0.006 . 2 . . . A 14 LEU HD13 . 19169 1 132 . 1 1 14 14 LEU HD21 H 1 1.030 0.010 . 2 . . . A 14 LEU HD21 . 19169 1 133 . 1 1 14 14 LEU HD22 H 1 1.030 0.010 . 2 . . . A 14 LEU HD22 . 19169 1 134 . 1 1 14 14 LEU HD23 H 1 1.030 0.010 . 2 . . . A 14 LEU HD23 . 19169 1 135 . 1 1 14 14 LEU C C 13 175.011 0.007 . 1 . . . A 14 LEU C . 19169 1 136 . 1 1 14 14 LEU CA C 13 53.484 0.079 . 1 . . . A 14 LEU CA . 19169 1 137 . 1 1 14 14 LEU CB C 13 44.239 0.010 . 1 . . . A 14 LEU CB . 19169 1 138 . 1 1 14 14 LEU CG C 13 26.866 0.079 . 1 . . . A 14 LEU CG . 19169 1 139 . 1 1 14 14 LEU CD1 C 13 26.671 0.016 . 2 . . . A 14 LEU CD1 . 19169 1 140 . 1 1 14 14 LEU CD2 C 13 24.607 0.023 . 2 . . . A 14 LEU CD2 . 19169 1 141 . 1 1 14 14 LEU N N 15 125.354 0.030 . 1 . . . A 14 LEU N . 19169 1 142 . 1 1 15 15 LYS H H 1 8.472 0.004 . 1 . . . A 15 LYS H . 19169 1 143 . 1 1 15 15 LYS HA H 1 5.383 0.006 . 1 . . . A 15 LYS HA . 19169 1 144 . 1 1 15 15 LYS HB2 H 1 1.852 0.005 . 1 . . . A 15 LYS HB2 . 19169 1 145 . 1 1 15 15 LYS HB3 H 1 1.852 0.005 . 1 . . . A 15 LYS HB3 . 19169 1 146 . 1 1 15 15 LYS HG2 H 1 1.384 0.009 . 2 . . . A 15 LYS HG2 . 19169 1 147 . 1 1 15 15 LYS HG3 H 1 1.502 0.006 . 2 . . . A 15 LYS HG3 . 19169 1 148 . 1 1 15 15 LYS HD2 H 1 1.577 0.004 . 2 . . . A 15 LYS HD2 . 19169 1 149 . 1 1 15 15 LYS HD3 H 1 1.495 0.006 . 2 . . . A 15 LYS HD3 . 19169 1 150 . 1 1 15 15 LYS HE2 H 1 2.946 0.006 . 1 . . . A 15 LYS HE2 . 19169 1 151 . 1 1 15 15 LYS HE3 H 1 2.946 0.006 . 1 . . . A 15 LYS HE3 . 19169 1 152 . 1 1 15 15 LYS C C 13 176.965 0.011 . 1 . . . A 15 LYS C . 19169 1 153 . 1 1 15 15 LYS CA C 13 54.561 0.022 . 1 . . . A 15 LYS CA . 19169 1 154 . 1 1 15 15 LYS CB C 13 35.204 0.045 . 1 . . . A 15 LYS CB . 19169 1 155 . 1 1 15 15 LYS CG C 13 25.269 0.051 . 1 . . . A 15 LYS CG . 19169 1 156 . 1 1 15 15 LYS CD C 13 29.168 0.036 . 1 . . . A 15 LYS CD . 19169 1 157 . 1 1 15 15 LYS CE C 13 41.875 0.020 . 1 . . . A 15 LYS CE . 19169 1 158 . 1 1 15 15 LYS N N 15 118.560 0.050 . 1 . . . A 15 LYS N . 19169 1 159 . 1 1 16 16 ASN H H 1 8.614 0.005 . 1 . . . A 16 ASN H . 19169 1 160 . 1 1 16 16 ASN HA H 1 5.680 0.004 . 1 . . . A 16 ASN HA . 19169 1 161 . 1 1 16 16 ASN HB2 H 1 2.678 0.009 . 2 . . . A 16 ASN HB2 . 19169 1 162 . 1 1 16 16 ASN HB3 H 1 3.767 0.005 . 2 . . . A 16 ASN HB3 . 19169 1 163 . 1 1 16 16 ASN HD21 H 1 6.816 0.006 . 1 . . . A 16 ASN HD21 . 19169 1 164 . 1 1 16 16 ASN HD22 H 1 8.158 0.003 . 1 . . . A 16 ASN HD22 . 19169 1 165 . 1 1 16 16 ASN C C 13 179.104 0.008 . 1 . . . A 16 ASN C . 19169 1 166 . 1 1 16 16 ASN CA C 13 50.405 0.023 . 1 . . . A 16 ASN CA . 19169 1 167 . 1 1 16 16 ASN CB C 13 40.083 0.023 . 1 . . . A 16 ASN CB . 19169 1 168 . 1 1 16 16 ASN CG C 13 177.031 0.020 . 1 . . . A 16 ASN CG . 19169 1 169 . 1 1 16 16 ASN N N 15 116.960 0.028 . 1 . . . A 16 ASN N . 19169 1 170 . 1 1 16 16 ASN ND2 N 15 112.403 0.043 . 1 . . . A 16 ASN ND2 . 19169 1 171 . 1 1 17 17 ILE H H 1 7.721 0.004 . 1 . . . A 17 ILE H . 19169 1 172 . 1 1 17 17 ILE HA H 1 4.190 0.007 . 1 . . . A 17 ILE HA . 19169 1 173 . 1 1 17 17 ILE HB H 1 2.087 0.008 . 1 . . . A 17 ILE HB . 19169 1 174 . 1 1 17 17 ILE HG12 H 1 1.582 0.009 . 2 . . . A 17 ILE HG12 . 19169 1 175 . 1 1 17 17 ILE HG13 H 1 1.542 0.004 . 2 . . . A 17 ILE HG13 . 19169 1 176 . 1 1 17 17 ILE HG21 H 1 1.049 0.005 . 1 . . . A 17 ILE HG21 . 19169 1 177 . 1 1 17 17 ILE HG22 H 1 1.049 0.005 . 1 . . . A 17 ILE HG22 . 19169 1 178 . 1 1 17 17 ILE HG23 H 1 1.049 0.005 . 1 . . . A 17 ILE HG23 . 19169 1 179 . 1 1 17 17 ILE HD11 H 1 0.975 0.001 . 1 . . . A 17 ILE HD11 . 19169 1 180 . 1 1 17 17 ILE HD12 H 1 0.975 0.001 . 1 . . . A 17 ILE HD12 . 19169 1 181 . 1 1 17 17 ILE HD13 H 1 0.975 0.001 . 1 . . . A 17 ILE HD13 . 19169 1 182 . 1 1 17 17 ILE C C 13 176.273 0.005 . 1 . . . A 17 ILE C . 19169 1 183 . 1 1 17 17 ILE CA C 13 64.251 0.019 . 1 . . . A 17 ILE CA . 19169 1 184 . 1 1 17 17 ILE CB C 13 38.499 0.026 . 1 . . . A 17 ILE CB . 19169 1 185 . 1 1 17 17 ILE CG1 C 13 26.170 0.083 . 1 . . . A 17 ILE CG1 . 19169 1 186 . 1 1 17 17 ILE CG2 C 13 18.308 0.009 . 1 . . . A 17 ILE CG2 . 19169 1 187 . 1 1 17 17 ILE CD1 C 13 14.685 0.003 . 1 . . . A 17 ILE CD1 . 19169 1 188 . 1 1 17 17 ILE N N 15 111.601 0.046 . 1 . . . A 17 ILE N . 19169 1 189 . 1 1 18 18 GLU H H 1 7.693 0.003 . 1 . . . A 18 GLU H . 19169 1 190 . 1 1 18 18 GLU HA H 1 4.503 0.005 . 1 . . . A 18 GLU HA . 19169 1 191 . 1 1 18 18 GLU HB2 H 1 2.323 0.013 . 2 . . . A 18 GLU HB2 . 19169 1 192 . 1 1 18 18 GLU HB3 H 1 2.053 0.007 . 2 . . . A 18 GLU HB3 . 19169 1 193 . 1 1 18 18 GLU HG2 H 1 2.344 0.009 . 1 . . . A 18 GLU HG2 . 19169 1 194 . 1 1 18 18 GLU HG3 H 1 2.344 0.009 . 1 . . . A 18 GLU HG3 . 19169 1 195 . 1 1 18 18 GLU C C 13 176.758 0.012 . 1 . . . A 18 GLU C . 19169 1 196 . 1 1 18 18 GLU CA C 13 55.977 0.007 . 1 . . . A 18 GLU CA . 19169 1 197 . 1 1 18 18 GLU CB C 13 29.435 0.044 . 1 . . . A 18 GLU CB . 19169 1 198 . 1 1 18 18 GLU CG C 13 35.931 0.020 . 1 . . . A 18 GLU CG . 19169 1 199 . 1 1 18 18 GLU N N 15 118.992 0.031 . 1 . . . A 18 GLU N . 19169 1 200 . 1 1 19 19 GLY H H 1 8.132 0.004 . 1 . . . A 19 GLY H . 19169 1 201 . 1 1 19 19 GLY HA2 H 1 3.743 0.005 . 2 . . . A 19 GLY HA2 . 19169 1 202 . 1 1 19 19 GLY HA3 H 1 4.342 0.011 . 2 . . . A 19 GLY HA3 . 19169 1 203 . 1 1 19 19 GLY C C 13 174.212 0.006 . 1 . . . A 19 GLY C . 19169 1 204 . 1 1 19 19 GLY CA C 13 45.220 0.033 . 1 . . . A 19 GLY CA . 19169 1 205 . 1 1 19 19 GLY N N 15 107.086 0.025 . 1 . . . A 19 GLY N . 19169 1 206 . 1 1 20 20 LYS H H 1 7.953 0.003 . 1 . . . A 20 LYS H . 19169 1 207 . 1 1 20 20 LYS HA H 1 4.441 0.010 . 1 . . . A 20 LYS HA . 19169 1 208 . 1 1 20 20 LYS HB2 H 1 1.821 0.007 . 2 . . . A 20 LYS HB2 . 19169 1 209 . 1 1 20 20 LYS HB3 H 1 1.680 0.007 . 2 . . . A 20 LYS HB3 . 19169 1 210 . 1 1 20 20 LYS HG2 H 1 1.481 0.011 . 2 . . . A 20 LYS HG2 . 19169 1 211 . 1 1 20 20 LYS HG3 H 1 1.391 0.006 . 2 . . . A 20 LYS HG3 . 19169 1 212 . 1 1 20 20 LYS HD2 H 1 1.671 0.010 . 1 . . . A 20 LYS HD2 . 19169 1 213 . 1 1 20 20 LYS HD3 H 1 1.671 0.010 . 1 . . . A 20 LYS HD3 . 19169 1 214 . 1 1 20 20 LYS HE2 H 1 2.987 0.005 . 1 . . . A 20 LYS HE2 . 19169 1 215 . 1 1 20 20 LYS HE3 H 1 2.987 0.005 . 1 . . . A 20 LYS HE3 . 19169 1 216 . 1 1 20 20 LYS C C 13 176.018 0.004 . 1 . . . A 20 LYS C . 19169 1 217 . 1 1 20 20 LYS CA C 13 54.990 0.024 . 1 . . . A 20 LYS CA . 19169 1 218 . 1 1 20 20 LYS CB C 13 33.152 0.039 . 1 . . . A 20 LYS CB . 19169 1 219 . 1 1 20 20 LYS CG C 13 25.180 0.075 . 1 . . . A 20 LYS CG . 19169 1 220 . 1 1 20 20 LYS CD C 13 28.773 0.020 . 1 . . . A 20 LYS CD . 19169 1 221 . 1 1 20 20 LYS CE C 13 42.379 0.020 . 1 . . . A 20 LYS CE . 19169 1 222 . 1 1 20 20 LYS N N 15 122.194 0.034 . 1 . . . A 20 LYS N . 19169 1 223 . 1 1 21 21 THR H H 1 8.645 0.005 . 1 . . . A 21 THR H . 19169 1 224 . 1 1 21 21 THR HA H 1 4.480 0.007 . 1 . . . A 21 THR HA . 19169 1 225 . 1 1 21 21 THR HB H 1 3.992 0.007 . 1 . . . A 21 THR HB . 19169 1 226 . 1 1 21 21 THR HG21 H 1 1.115 0.004 . 1 . . . A 21 THR HG21 . 19169 1 227 . 1 1 21 21 THR HG22 H 1 1.115 0.004 . 1 . . . A 21 THR HG22 . 19169 1 228 . 1 1 21 21 THR HG23 H 1 1.115 0.004 . 1 . . . A 21 THR HG23 . 19169 1 229 . 1 1 21 21 THR C C 13 173.994 0.001 . 1 . . . A 21 THR C . 19169 1 230 . 1 1 21 21 THR CA C 13 63.904 0.021 . 1 . . . A 21 THR CA . 19169 1 231 . 1 1 21 21 THR CB C 13 69.032 0.012 . 1 . . . A 21 THR CB . 19169 1 232 . 1 1 21 21 THR CG2 C 13 21.961 0.024 . 1 . . . A 21 THR CG2 . 19169 1 233 . 1 1 21 21 THR N N 15 119.472 0.021 . 1 . . . A 21 THR N . 19169 1 234 . 1 1 22 22 VAL H H 1 9.492 0.004 . 1 . . . A 22 VAL H . 19169 1 235 . 1 1 22 22 VAL HA H 1 4.157 0.005 . 1 . . . A 22 VAL HA . 19169 1 236 . 1 1 22 22 VAL HB H 1 1.747 0.008 . 1 . . . A 22 VAL HB . 19169 1 237 . 1 1 22 22 VAL HG11 H 1 0.704 0.007 . 2 . . . A 22 VAL HG11 . 19169 1 238 . 1 1 22 22 VAL HG12 H 1 0.704 0.007 . 2 . . . A 22 VAL HG12 . 19169 1 239 . 1 1 22 22 VAL HG13 H 1 0.704 0.007 . 2 . . . A 22 VAL HG13 . 19169 1 240 . 1 1 22 22 VAL HG21 H 1 0.791 0.006 . 2 . . . A 22 VAL HG21 . 19169 1 241 . 1 1 22 22 VAL HG22 H 1 0.791 0.006 . 2 . . . A 22 VAL HG22 . 19169 1 242 . 1 1 22 22 VAL HG23 H 1 0.791 0.006 . 2 . . . A 22 VAL HG23 . 19169 1 243 . 1 1 22 22 VAL C C 13 173.673 0.001 . 1 . . . A 22 VAL C . 19169 1 244 . 1 1 22 22 VAL CA C 13 61.070 0.070 . 1 . . . A 22 VAL CA . 19169 1 245 . 1 1 22 22 VAL CB C 13 35.139 0.034 . 1 . . . A 22 VAL CB . 19169 1 246 . 1 1 22 22 VAL CG1 C 13 20.869 0.027 . 2 . . . A 22 VAL CG1 . 19169 1 247 . 1 1 22 22 VAL CG2 C 13 20.855 0.024 . 2 . . . A 22 VAL CG2 . 19169 1 248 . 1 1 22 22 VAL N N 15 129.625 0.029 . 1 . . . A 22 VAL N . 19169 1 249 . 1 1 23 23 GLN H H 1 8.236 0.004 . 1 . . . A 23 GLN H . 19169 1 250 . 1 1 23 23 GLN HA H 1 5.055 0.005 . 1 . . . A 23 GLN HA . 19169 1 251 . 1 1 23 23 GLN HB2 H 1 2.060 0.006 . 2 . . . A 23 GLN HB2 . 19169 1 252 . 1 1 23 23 GLN HB3 H 1 1.785 0.007 . 2 . . . A 23 GLN HB3 . 19169 1 253 . 1 1 23 23 GLN HG2 H 1 2.317 0.005 . 2 . . . A 23 GLN HG2 . 19169 1 254 . 1 1 23 23 GLN HG3 H 1 2.241 0.007 . 2 . . . A 23 GLN HG3 . 19169 1 255 . 1 1 23 23 GLN HE21 H 1 7.527 0.003 . 1 . . . A 23 GLN HE21 . 19169 1 256 . 1 1 23 23 GLN HE22 H 1 6.802 0.003 . 1 . . . A 23 GLN HE22 . 19169 1 257 . 1 1 23 23 GLN C C 13 179.045 0.008 . 1 . . . A 23 GLN C . 19169 1 258 . 1 1 23 23 GLN CA C 13 53.588 0.013 . 1 . . . A 23 GLN CA . 19169 1 259 . 1 1 23 23 GLN CB C 13 29.296 0.084 . 1 . . . A 23 GLN CB . 19169 1 260 . 1 1 23 23 GLN CG C 13 33.701 0.023 . 1 . . . A 23 GLN CG . 19169 1 261 . 1 1 23 23 GLN CD C 13 180.248 0.020 . 1 . . . A 23 GLN CD . 19169 1 262 . 1 1 23 23 GLN N N 15 123.684 0.031 . 1 . . . A 23 GLN N . 19169 1 263 . 1 1 23 23 GLN NE2 N 15 111.403 0.069 . 1 . . . A 23 GLN NE2 . 19169 1 264 . 1 1 24 24 THR H H 1 9.264 0.003 . 1 . . . A 24 THR H . 19169 1 265 . 1 1 24 24 THR HA H 1 3.470 0.006 . 1 . . . A 24 THR HA . 19169 1 266 . 1 1 24 24 THR HB H 1 3.693 0.009 . 1 . . . A 24 THR HB . 19169 1 267 . 1 1 24 24 THR HG1 H 1 5.551 0.010 . 1 . . . A 24 THR HG1 . 19169 1 268 . 1 1 24 24 THR HG21 H 1 0.062 0.005 . 1 . . . A 24 THR HG21 . 19169 1 269 . 1 1 24 24 THR HG22 H 1 0.062 0.005 . 1 . . . A 24 THR HG22 . 19169 1 270 . 1 1 24 24 THR HG23 H 1 0.062 0.005 . 1 . . . A 24 THR HG23 . 19169 1 271 . 1 1 24 24 THR C C 13 174.482 0.008 . 1 . . . A 24 THR C . 19169 1 272 . 1 1 24 24 THR CA C 13 65.770 0.006 . 1 . . . A 24 THR CA . 19169 1 273 . 1 1 24 24 THR CB C 13 68.375 0.014 . 1 . . . A 24 THR CB . 19169 1 274 . 1 1 24 24 THR CG2 C 13 20.942 0.042 . 1 . . . A 24 THR CG2 . 19169 1 275 . 1 1 24 24 THR N N 15 117.201 0.028 . 1 . . . A 24 THR N . 19169 1 276 . 1 1 25 25 ASN H H 1 8.653 0.003 . 1 . . . A 25 ASN H . 19169 1 277 . 1 1 25 25 ASN HA H 1 4.501 0.006 . 1 . . . A 25 ASN HA . 19169 1 278 . 1 1 25 25 ASN HB2 H 1 2.337 0.008 . 2 . . . A 25 ASN HB2 . 19169 1 279 . 1 1 25 25 ASN HB3 H 1 3.046 0.007 . 2 . . . A 25 ASN HB3 . 19169 1 280 . 1 1 25 25 ASN HD21 H 1 6.972 0.006 . 1 . . . A 25 ASN HD21 . 19169 1 281 . 1 1 25 25 ASN HD22 H 1 7.810 0.002 . 1 . . . A 25 ASN HD22 . 19169 1 282 . 1 1 25 25 ASN C C 13 174.968 0.007 . 1 . . . A 25 ASN C . 19169 1 283 . 1 1 25 25 ASN CA C 13 54.142 0.042 . 1 . . . A 25 ASN CA . 19169 1 284 . 1 1 25 25 ASN CB C 13 35.940 0.046 . 1 . . . A 25 ASN CB . 19169 1 285 . 1 1 25 25 ASN CG C 13 177.780 0.020 . 1 . . . A 25 ASN CG . 19169 1 286 . 1 1 25 25 ASN N N 15 113.441 0.030 . 1 . . . A 25 ASN N . 19169 1 287 . 1 1 25 25 ASN ND2 N 15 114.876 0.066 . 1 . . . A 25 ASN ND2 . 19169 1 288 . 1 1 26 26 LYS H H 1 7.652 0.004 . 1 . . . A 26 LYS H . 19169 1 289 . 1 1 26 26 LYS HA H 1 4.321 0.010 . 1 . . . A 26 LYS HA . 19169 1 290 . 1 1 26 26 LYS HB2 H 1 1.655 0.006 . 2 . . . A 26 LYS HB2 . 19169 1 291 . 1 1 26 26 LYS HB3 H 1 1.977 0.010 . 2 . . . A 26 LYS HB3 . 19169 1 292 . 1 1 26 26 LYS HG2 H 1 1.242 0.009 . 2 . . . A 26 LYS HG2 . 19169 1 293 . 1 1 26 26 LYS HG3 H 1 1.026 0.006 . 2 . . . A 26 LYS HG3 . 19169 1 294 . 1 1 26 26 LYS HD2 H 1 1.467 0.018 . 2 . . . A 26 LYS HD2 . 19169 1 295 . 1 1 26 26 LYS HD3 H 1 1.452 0.011 . 2 . . . A 26 LYS HD3 . 19169 1 296 . 1 1 26 26 LYS HE2 H 1 2.838 0.005 . 1 . . . A 26 LYS HE2 . 19169 1 297 . 1 1 26 26 LYS HE3 H 1 2.838 0.005 . 1 . . . A 26 LYS HE3 . 19169 1 298 . 1 1 26 26 LYS C C 13 176.470 0.002 . 1 . . . A 26 LYS C . 19169 1 299 . 1 1 26 26 LYS CA C 13 54.116 0.063 . 1 . . . A 26 LYS CA . 19169 1 300 . 1 1 26 26 LYS CB C 13 31.801 0.007 . 1 . . . A 26 LYS CB . 19169 1 301 . 1 1 26 26 LYS CG C 13 24.354 0.040 . 1 . . . A 26 LYS CG . 19169 1 302 . 1 1 26 26 LYS CD C 13 28.126 0.013 . 1 . . . A 26 LYS CD . 19169 1 303 . 1 1 26 26 LYS CE C 13 41.860 0.020 . 1 . . . A 26 LYS CE . 19169 1 304 . 1 1 26 26 LYS N N 15 118.724 0.035 . 1 . . . A 26 LYS N . 19169 1 305 . 1 1 27 27 LEU H H 1 7.489 0.003 . 1 . . . A 27 LEU H . 19169 1 306 . 1 1 27 27 LEU HA H 1 4.315 0.010 . 1 . . . A 27 LEU HA . 19169 1 307 . 1 1 27 27 LEU HB2 H 1 1.803 0.004 . 2 . . . A 27 LEU HB2 . 19169 1 308 . 1 1 27 27 LEU HB3 H 1 1.094 0.006 . 2 . . . A 27 LEU HB3 . 19169 1 309 . 1 1 27 27 LEU HG H 1 1.671 0.006 . 1 . . . A 27 LEU HG . 19169 1 310 . 1 1 27 27 LEU HD11 H 1 0.797 0.005 . 2 . . . A 27 LEU HD11 . 19169 1 311 . 1 1 27 27 LEU HD12 H 1 0.797 0.005 . 2 . . . A 27 LEU HD12 . 19169 1 312 . 1 1 27 27 LEU HD13 H 1 0.797 0.005 . 2 . . . A 27 LEU HD13 . 19169 1 313 . 1 1 27 27 LEU HD21 H 1 0.739 0.006 . 2 . . . A 27 LEU HD21 . 19169 1 314 . 1 1 27 27 LEU HD22 H 1 0.739 0.006 . 2 . . . A 27 LEU HD22 . 19169 1 315 . 1 1 27 27 LEU HD23 H 1 0.739 0.006 . 2 . . . A 27 LEU HD23 . 19169 1 316 . 1 1 27 27 LEU C C 13 175.735 0.009 . 1 . . . A 27 LEU C . 19169 1 317 . 1 1 27 27 LEU CA C 13 55.190 0.095 . 1 . . . A 27 LEU CA . 19169 1 318 . 1 1 27 27 LEU CB C 13 42.438 0.003 . 1 . . . A 27 LEU CB . 19169 1 319 . 1 1 27 27 LEU CG C 13 26.525 0.020 . 1 . . . A 27 LEU CG . 19169 1 320 . 1 1 27 27 LEU CD1 C 13 23.265 0.052 . 2 . . . A 27 LEU CD1 . 19169 1 321 . 1 1 27 27 LEU CD2 C 13 24.877 0.021 . 2 . . . A 27 LEU CD2 . 19169 1 322 . 1 1 27 27 LEU N N 15 122.384 0.036 . 1 . . . A 27 LEU N . 19169 1 323 . 1 1 28 28 GLU H H 1 8.466 0.005 . 1 . . . A 28 GLU H . 19169 1 324 . 1 1 28 28 GLU HA H 1 4.654 0.008 . 1 . . . A 28 GLU HA . 19169 1 325 . 1 1 28 28 GLU HB2 H 1 2.140 0.005 . 1 . . . A 28 GLU HB2 . 19169 1 326 . 1 1 28 28 GLU HB3 H 1 2.141 0.005 . 1 . . . A 28 GLU HB3 . 19169 1 327 . 1 1 28 28 GLU HG2 H 1 2.305 0.009 . 1 . . . A 28 GLU HG2 . 19169 1 328 . 1 1 28 28 GLU HG3 H 1 2.305 0.009 . 1 . . . A 28 GLU HG3 . 19169 1 329 . 1 1 28 28 GLU C C 13 175.004 0.023 . 1 . . . A 28 GLU C . 19169 1 330 . 1 1 28 28 GLU CA C 13 55.033 0.008 . 1 . . . A 28 GLU CA . 19169 1 331 . 1 1 28 28 GLU CB C 13 32.471 0.005 . 1 . . . A 28 GLU CB . 19169 1 332 . 1 1 28 28 GLU CG C 13 36.033 0.033 . 1 . . . A 28 GLU CG . 19169 1 333 . 1 1 28 28 GLU N N 15 118.714 0.047 . 1 . . . A 28 GLU N . 19169 1 334 . 1 1 29 29 ASN H H 1 9.180 0.003 . 1 . . . A 29 ASN H . 19169 1 335 . 1 1 29 29 ASN HA H 1 5.039 0.009 . 1 . . . A 29 ASN HA . 19169 1 336 . 1 1 29 29 ASN HB2 H 1 2.806 0.011 . 2 . . . A 29 ASN HB2 . 19169 1 337 . 1 1 29 29 ASN HB3 H 1 2.315 0.005 . 2 . . . A 29 ASN HB3 . 19169 1 338 . 1 1 29 29 ASN C C 13 175.106 0.020 . 1 . . . A 29 ASN C . 19169 1 339 . 1 1 29 29 ASN CA C 13 52.172 0.017 . 1 . . . A 29 ASN CA . 19169 1 340 . 1 1 29 29 ASN CB C 13 39.065 0.015 . 1 . . . A 29 ASN CB . 19169 1 341 . 1 1 29 29 ASN N N 15 118.958 0.030 . 1 . . . A 29 ASN N . 19169 1 342 . 1 1 30 30 ALA H H 1 8.951 0.003 . 1 . . . A 30 ALA H . 19169 1 343 . 1 1 30 30 ALA HA H 1 4.118 0.011 . 1 . . . A 30 ALA HA . 19169 1 344 . 1 1 30 30 ALA HB1 H 1 1.393 0.005 . 1 . . . A 30 ALA HB1 . 19169 1 345 . 1 1 30 30 ALA HB2 H 1 1.393 0.005 . 1 . . . A 30 ALA HB2 . 19169 1 346 . 1 1 30 30 ALA HB3 H 1 1.393 0.005 . 1 . . . A 30 ALA HB3 . 19169 1 347 . 1 1 30 30 ALA C C 13 177.089 0.008 . 1 . . . A 30 ALA C . 19169 1 348 . 1 1 30 30 ALA CA C 13 53.000 0.006 . 1 . . . A 30 ALA CA . 19169 1 349 . 1 1 30 30 ALA CB C 13 17.193 0.022 . 1 . . . A 30 ALA CB . 19169 1 350 . 1 1 30 30 ALA N N 15 122.943 0.035 . 1 . . . A 30 ALA N . 19169 1 351 . 1 1 31 31 GLY H H 1 8.554 0.004 . 1 . . . A 31 GLY H . 19169 1 352 . 1 1 31 31 GLY HA2 H 1 3.895 0.005 . 2 . . . A 31 GLY HA2 . 19169 1 353 . 1 1 31 31 GLY HA3 H 1 4.153 0.004 . 2 . . . A 31 GLY HA3 . 19169 1 354 . 1 1 31 31 GLY C C 13 174.353 0.012 . 1 . . . A 31 GLY C . 19169 1 355 . 1 1 31 31 GLY CA C 13 45.678 0.007 . 1 . . . A 31 GLY CA . 19169 1 356 . 1 1 31 31 GLY N N 15 104.221 0.019 . 1 . . . A 31 GLY N . 19169 1 357 . 1 1 32 32 LYS H H 1 7.860 0.003 . 1 . . . A 32 LYS H . 19169 1 358 . 1 1 32 32 LYS HA H 1 4.887 0.006 . 1 . . . A 32 LYS HA . 19169 1 359 . 1 1 32 32 LYS HB2 H 1 2.141 0.015 . 2 . . . A 32 LYS HB2 . 19169 1 360 . 1 1 32 32 LYS HB3 H 1 1.673 0.004 . 2 . . . A 32 LYS HB3 . 19169 1 361 . 1 1 32 32 LYS HG2 H 1 1.534 0.015 . 1 . . . A 32 LYS HG2 . 19169 1 362 . 1 1 32 32 LYS HG3 H 1 1.534 0.015 . 1 . . . A 32 LYS HG3 . 19169 1 363 . 1 1 32 32 LYS HD2 H 1 1.839 0.002 . 2 . . . A 32 LYS HD2 . 19169 1 364 . 1 1 32 32 LYS HD3 H 1 1.766 0.002 . 2 . . . A 32 LYS HD3 . 19169 1 365 . 1 1 32 32 LYS HE2 H 1 3.041 0.008 . 1 . . . A 32 LYS HE2 . 19169 1 366 . 1 1 32 32 LYS HE3 H 1 3.041 0.008 . 1 . . . A 32 LYS HE3 . 19169 1 367 . 1 1 32 32 LYS C C 13 174.197 0.020 . 1 . . . A 32 LYS C . 19169 1 368 . 1 1 32 32 LYS CA C 13 53.231 0.060 . 1 . . . A 32 LYS CA . 19169 1 369 . 1 1 32 32 LYS CB C 13 30.987 0.004 . 1 . . . A 32 LYS CB . 19169 1 370 . 1 1 32 32 LYS CG C 13 25.177 0.020 . 1 . . . A 32 LYS CG . 19169 1 371 . 1 1 32 32 LYS CD C 13 28.220 0.031 . 1 . . . A 32 LYS CD . 19169 1 372 . 1 1 32 32 LYS CE C 13 41.879 0.020 . 1 . . . A 32 LYS CE . 19169 1 373 . 1 1 32 32 LYS N N 15 121.270 0.034 . 1 . . . A 32 LYS N . 19169 1 374 . 1 1 33 33 PRO HA H 1 4.676 0.009 . 1 . . . A 33 PRO HA . 19169 1 375 . 1 1 33 33 PRO HB2 H 1 2.334 0.009 . 2 . . . A 33 PRO HB2 . 19169 1 376 . 1 1 33 33 PRO HB3 H 1 1.497 0.010 . 2 . . . A 33 PRO HB3 . 19169 1 377 . 1 1 33 33 PRO HG2 H 1 1.938 0.011 . 1 . . . A 33 PRO HG2 . 19169 1 378 . 1 1 33 33 PRO HG3 H 1 1.938 0.011 . 1 . . . A 33 PRO HG3 . 19169 1 379 . 1 1 33 33 PRO HD2 H 1 3.148 0.007 . 2 . . . A 33 PRO HD2 . 19169 1 380 . 1 1 33 33 PRO HD3 H 1 4.064 0.011 . 2 . . . A 33 PRO HD3 . 19169 1 381 . 1 1 33 33 PRO C C 13 174.627 0.007 . 1 . . . A 33 PRO C . 19169 1 382 . 1 1 33 33 PRO CA C 13 63.060 0.012 . 1 . . . A 33 PRO CA . 19169 1 383 . 1 1 33 33 PRO CB C 13 32.887 0.081 . 1 . . . A 33 PRO CB . 19169 1 384 . 1 1 33 33 PRO CG C 13 28.779 0.037 . 1 . . . A 33 PRO CG . 19169 1 385 . 1 1 33 33 PRO CD C 13 50.604 0.059 . 1 . . . A 33 PRO CD . 19169 1 386 . 1 1 34 34 MET H H 1 8.911 0.003 . 1 . . . A 34 MET H . 19169 1 387 . 1 1 34 34 MET HA H 1 5.257 0.006 . 1 . . . A 34 MET HA . 19169 1 388 . 1 1 34 34 MET HB2 H 1 1.833 0.009 . 1 . . . A 34 MET HB2 . 19169 1 389 . 1 1 34 34 MET HB3 H 1 1.833 0.009 . 1 . . . A 34 MET HB3 . 19169 1 390 . 1 1 34 34 MET HG2 H 1 2.193 0.006 . 2 . . . A 34 MET HG2 . 19169 1 391 . 1 1 34 34 MET HG3 H 1 2.485 0.005 . 2 . . . A 34 MET HG3 . 19169 1 392 . 1 1 34 34 MET HE1 H 1 1.874 0.004 . 1 . . . A 34 MET HE1 . 19169 1 393 . 1 1 34 34 MET HE2 H 1 1.874 0.004 . 1 . . . A 34 MET HE2 . 19169 1 394 . 1 1 34 34 MET HE3 H 1 1.874 0.004 . 1 . . . A 34 MET HE3 . 19169 1 395 . 1 1 34 34 MET C C 13 174.180 0.007 . 1 . . . A 34 MET C . 19169 1 396 . 1 1 34 34 MET CA C 13 54.260 0.046 . 1 . . . A 34 MET CA . 19169 1 397 . 1 1 34 34 MET CB C 13 38.346 0.017 . 1 . . . A 34 MET CB . 19169 1 398 . 1 1 34 34 MET CG C 13 32.693 0.042 . 1 . . . A 34 MET CG . 19169 1 399 . 1 1 34 34 MET CE C 13 16.460 0.007 . 1 . . . A 34 MET CE . 19169 1 400 . 1 1 34 34 MET N N 15 116.539 0.030 . 1 . . . A 34 MET N . 19169 1 401 . 1 1 35 35 ILE H H 1 8.742 0.004 . 1 . . . A 35 ILE H . 19169 1 402 . 1 1 35 35 ILE HA H 1 4.940 0.008 . 1 . . . A 35 ILE HA . 19169 1 403 . 1 1 35 35 ILE HB H 1 1.416 0.005 . 1 . . . A 35 ILE HB . 19169 1 404 . 1 1 35 35 ILE HG21 H 1 0.844 0.011 . 1 . . . A 35 ILE HG21 . 19169 1 405 . 1 1 35 35 ILE HG22 H 1 0.844 0.011 . 1 . . . A 35 ILE HG22 . 19169 1 406 . 1 1 35 35 ILE HG23 H 1 0.844 0.011 . 1 . . . A 35 ILE HG23 . 19169 1 407 . 1 1 35 35 ILE HD11 H 1 0.892 0.009 . 1 . . . A 35 ILE HD11 . 19169 1 408 . 1 1 35 35 ILE HD12 H 1 0.892 0.009 . 1 . . . A 35 ILE HD12 . 19169 1 409 . 1 1 35 35 ILE HD13 H 1 0.892 0.009 . 1 . . . A 35 ILE HD13 . 19169 1 410 . 1 1 35 35 ILE C C 13 174.248 0.016 . 1 . . . A 35 ILE C . 19169 1 411 . 1 1 35 35 ILE CA C 13 59.828 0.033 . 1 . . . A 35 ILE CA . 19169 1 412 . 1 1 35 35 ILE CB C 13 41.280 0.057 . 1 . . . A 35 ILE CB . 19169 1 413 . 1 1 35 35 ILE CG2 C 13 18.069 0.022 . 1 . . . A 35 ILE CG2 . 19169 1 414 . 1 1 35 35 ILE CD1 C 13 15.012 0.020 . 1 . . . A 35 ILE CD1 . 19169 1 415 . 1 1 35 35 ILE N N 15 121.194 0.027 . 1 . . . A 35 ILE N . 19169 1 416 . 1 1 36 36 ILE H H 1 9.450 0.005 . 1 . . . A 36 ILE H . 19169 1 417 . 1 1 36 36 ILE HA H 1 5.200 0.007 . 1 . . . A 36 ILE HA . 19169 1 418 . 1 1 36 36 ILE HB H 1 1.891 0.007 . 1 . . . A 36 ILE HB . 19169 1 419 . 1 1 36 36 ILE HG12 H 1 1.526 0.007 . 2 . . . A 36 ILE HG12 . 19169 1 420 . 1 1 36 36 ILE HG13 H 1 1.120 0.009 . 2 . . . A 36 ILE HG13 . 19169 1 421 . 1 1 36 36 ILE HG21 H 1 0.720 0.009 . 1 . . . A 36 ILE HG21 . 19169 1 422 . 1 1 36 36 ILE HG22 H 1 0.720 0.009 . 1 . . . A 36 ILE HG22 . 19169 1 423 . 1 1 36 36 ILE HG23 H 1 0.720 0.009 . 1 . . . A 36 ILE HG23 . 19169 1 424 . 1 1 36 36 ILE HD11 H 1 0.821 0.011 . 1 . . . A 36 ILE HD11 . 19169 1 425 . 1 1 36 36 ILE HD12 H 1 0.821 0.011 . 1 . . . A 36 ILE HD12 . 19169 1 426 . 1 1 36 36 ILE HD13 H 1 0.821 0.011 . 1 . . . A 36 ILE HD13 . 19169 1 427 . 1 1 36 36 ILE C C 13 175.165 0.009 . 1 . . . A 36 ILE C . 19169 1 428 . 1 1 36 36 ILE CA C 13 59.667 0.012 . 1 . . . A 36 ILE CA . 19169 1 429 . 1 1 36 36 ILE CB C 13 40.323 0.001 . 1 . . . A 36 ILE CB . 19169 1 430 . 1 1 36 36 ILE CG1 C 13 27.865 0.014 . 1 . . . A 36 ILE CG1 . 19169 1 431 . 1 1 36 36 ILE CG2 C 13 18.123 0.036 . 1 . . . A 36 ILE CG2 . 19169 1 432 . 1 1 36 36 ILE CD1 C 13 14.001 0.011 . 1 . . . A 36 ILE CD1 . 19169 1 433 . 1 1 36 36 ILE N N 15 127.373 0.027 . 1 . . . A 36 ILE N . 19169 1 434 . 1 1 37 37 SER H H 1 9.053 0.004 . 1 . . . A 37 SER H . 19169 1 435 . 1 1 37 37 SER HA H 1 5.641 0.005 . 1 . . . A 37 SER HA . 19169 1 436 . 1 1 37 37 SER HB2 H 1 3.334 0.009 . 2 . . . A 37 SER HB2 . 19169 1 437 . 1 1 37 37 SER HB3 H 1 3.549 0.008 . 2 . . . A 37 SER HB3 . 19169 1 438 . 1 1 37 37 SER C C 13 174.154 0.019 . 1 . . . A 37 SER C . 19169 1 439 . 1 1 37 37 SER CA C 13 56.105 0.036 . 1 . . . A 37 SER CA . 19169 1 440 . 1 1 37 37 SER CB C 13 65.770 0.014 . 1 . . . A 37 SER CB . 19169 1 441 . 1 1 37 37 SER N N 15 121.610 0.021 . 1 . . . A 37 SER N . 19169 1 442 . 1 1 38 38 PHE H H 1 9.507 0.004 . 1 . . . A 38 PHE H . 19169 1 443 . 1 1 38 38 PHE HA H 1 5.611 0.008 . 1 . . . A 38 PHE HA . 19169 1 444 . 1 1 38 38 PHE HB2 H 1 2.808 0.008 . 2 . . . A 38 PHE HB2 . 19169 1 445 . 1 1 38 38 PHE HB3 H 1 3.368 0.006 . 2 . . . A 38 PHE HB3 . 19169 1 446 . 1 1 38 38 PHE HD1 H 1 7.320 0.011 . 3 . . . A 38 PHE HD1 . 19169 1 447 . 1 1 38 38 PHE HD2 H 1 7.320 0.011 . 3 . . . A 38 PHE HD2 . 19169 1 448 . 1 1 38 38 PHE HE1 H 1 6.806 0.010 . 3 . . . A 38 PHE HE1 . 19169 1 449 . 1 1 38 38 PHE HE2 H 1 6.806 0.010 . 3 . . . A 38 PHE HE2 . 19169 1 450 . 1 1 38 38 PHE HZ H 1 5.825 0.003 . 1 . . . A 38 PHE HZ . 19169 1 451 . 1 1 38 38 PHE C C 13 176.193 0.009 . 1 . . . A 38 PHE C . 19169 1 452 . 1 1 38 38 PHE CA C 13 57.822 0.019 . 1 . . . A 38 PHE CA . 19169 1 453 . 1 1 38 38 PHE CB C 13 41.772 0.006 . 1 . . . A 38 PHE CB . 19169 1 454 . 1 1 38 38 PHE CD1 C 13 131.600 0.056 . 3 . . . A 38 PHE CD1 . 19169 1 455 . 1 1 38 38 PHE CD2 C 13 131.600 0.056 . 3 . . . A 38 PHE CD2 . 19169 1 456 . 1 1 38 38 PHE CE1 C 13 130.651 0.053 . 3 . . . A 38 PHE CE1 . 19169 1 457 . 1 1 38 38 PHE CE2 C 13 130.651 0.053 . 3 . . . A 38 PHE CE2 . 19169 1 458 . 1 1 38 38 PHE CZ C 13 129.322 0.059 . 1 . . . A 38 PHE CZ . 19169 1 459 . 1 1 38 38 PHE N N 15 127.399 0.034 . 1 . . . A 38 PHE N . 19169 1 460 . 1 1 39 39 PHE H H 1 9.708 0.006 . 1 . . . A 39 PHE H . 19169 1 461 . 1 1 39 39 PHE HA H 1 5.665 0.009 . 1 . . . A 39 PHE HA . 19169 1 462 . 1 1 39 39 PHE HB2 H 1 3.157 0.007 . 2 . . . A 39 PHE HB2 . 19169 1 463 . 1 1 39 39 PHE HB3 H 1 2.855 0.007 . 2 . . . A 39 PHE HB3 . 19169 1 464 . 1 1 39 39 PHE HD1 H 1 6.950 0.014 . 3 . . . A 39 PHE HD1 . 19169 1 465 . 1 1 39 39 PHE HD2 H 1 6.950 0.014 . 3 . . . A 39 PHE HD2 . 19169 1 466 . 1 1 39 39 PHE HE1 H 1 7.083 0.012 . 3 . . . A 39 PHE HE1 . 19169 1 467 . 1 1 39 39 PHE HE2 H 1 7.083 0.012 . 3 . . . A 39 PHE HE2 . 19169 1 468 . 1 1 39 39 PHE HZ H 1 7.265 0.014 . 1 . . . A 39 PHE HZ . 19169 1 469 . 1 1 39 39 PHE C C 13 170.599 0.007 . 1 . . . A 39 PHE C . 19169 1 470 . 1 1 39 39 PHE CA C 13 55.882 0.030 . 1 . . . A 39 PHE CA . 19169 1 471 . 1 1 39 39 PHE CB C 13 44.802 0.002 . 1 . . . A 39 PHE CB . 19169 1 472 . 1 1 39 39 PHE CD1 C 13 132.144 0.130 . 3 . . . A 39 PHE CD1 . 19169 1 473 . 1 1 39 39 PHE CD2 C 13 132.144 0.130 . 3 . . . A 39 PHE CD2 . 19169 1 474 . 1 1 39 39 PHE CE1 C 13 130.544 0.079 . 3 . . . A 39 PHE CE1 . 19169 1 475 . 1 1 39 39 PHE CE2 C 13 130.544 0.079 . 3 . . . A 39 PHE CE2 . 19169 1 476 . 1 1 39 39 PHE CZ C 13 128.927 0.043 . 1 . . . A 39 PHE CZ . 19169 1 477 . 1 1 39 39 PHE N N 15 121.140 0.025 . 1 . . . A 39 PHE N . 19169 1 478 . 1 1 40 40 ALA H H 1 6.896 0.006 . 1 . . . A 40 ALA H . 19169 1 479 . 1 1 40 40 ALA HA H 1 4.700 0.005 . 1 . . . A 40 ALA HA . 19169 1 480 . 1 1 40 40 ALA HB1 H 1 1.299 0.004 . 1 . . . A 40 ALA HB1 . 19169 1 481 . 1 1 40 40 ALA HB2 H 1 1.299 0.004 . 1 . . . A 40 ALA HB2 . 19169 1 482 . 1 1 40 40 ALA HB3 H 1 1.299 0.004 . 1 . . . A 40 ALA HB3 . 19169 1 483 . 1 1 40 40 ALA C C 13 178.955 0.009 . 1 . . . A 40 ALA C . 19169 1 484 . 1 1 40 40 ALA CA C 13 50.903 0.025 . 1 . . . A 40 ALA CA . 19169 1 485 . 1 1 40 40 ALA CB C 13 23.212 0.037 . 1 . . . A 40 ALA CB . 19169 1 486 . 1 1 40 40 ALA N N 15 118.751 0.046 . 1 . . . A 40 ALA N . 19169 1 487 . 1 1 41 41 THR H H 1 10.323 0.003 . 1 . . . A 41 THR H . 19169 1 488 . 1 1 41 41 THR HA H 1 3.962 0.009 . 1 . . . A 41 THR HA . 19169 1 489 . 1 1 41 41 THR HB H 1 4.202 0.009 . 1 . . . A 41 THR HB . 19169 1 490 . 1 1 41 41 THR HG21 H 1 1.401 0.008 . 1 . . . A 41 THR HG21 . 19169 1 491 . 1 1 41 41 THR HG22 H 1 1.401 0.008 . 1 . . . A 41 THR HG22 . 19169 1 492 . 1 1 41 41 THR HG23 H 1 1.401 0.008 . 1 . . . A 41 THR HG23 . 19169 1 493 . 1 1 41 41 THR C C 13 174.103 0.003 . 1 . . . A 41 THR C . 19169 1 494 . 1 1 41 41 THR CA C 13 65.436 0.045 . 1 . . . A 41 THR CA . 19169 1 495 . 1 1 41 41 THR CB C 13 69.548 0.066 . 1 . . . A 41 THR CB . 19169 1 496 . 1 1 41 41 THR CG2 C 13 23.285 0.041 . 1 . . . A 41 THR CG2 . 19169 1 497 . 1 1 41 41 THR N N 15 114.549 0.028 . 1 . . . A 41 THR N . 19169 1 498 . 1 1 42 42 ASN H H 1 7.796 0.005 . 1 . . . A 42 ASN H . 19169 1 499 . 1 1 42 42 ASN HA H 1 4.836 0.009 . 1 . . . A 42 ASN HA . 19169 1 500 . 1 1 42 42 ASN HB2 H 1 3.181 0.005 . 2 . . . A 42 ASN HB2 . 19169 1 501 . 1 1 42 42 ASN HB3 H 1 2.750 0.006 . 2 . . . A 42 ASN HB3 . 19169 1 502 . 1 1 42 42 ASN HD21 H 1 6.874 0.001 . 1 . . . A 42 ASN HD21 . 19169 1 503 . 1 1 42 42 ASN HD22 H 1 7.629 0.003 . 1 . . . A 42 ASN HD22 . 19169 1 504 . 1 1 42 42 ASN C C 13 174.368 0.020 . 1 . . . A 42 ASN C . 19169 1 505 . 1 1 42 42 ASN CA C 13 51.669 0.007 . 1 . . . A 42 ASN CA . 19169 1 506 . 1 1 42 42 ASN CB C 13 37.433 0.086 . 1 . . . A 42 ASN CB . 19169 1 507 . 1 1 42 42 ASN CG C 13 178.445 0.003 . 1 . . . A 42 ASN CG . 19169 1 508 . 1 1 42 42 ASN N N 15 114.680 0.040 . 1 . . . A 42 ASN N . 19169 1 509 . 1 1 42 42 ASN ND2 N 15 111.898 0.040 . 1 . . . A 42 ASN ND2 . 19169 1 510 . 1 1 43 43 CYS H H 1 7.379 0.004 . 1 . . . A 43 CYS H . 19169 1 511 . 1 1 43 43 CYS HA H 1 4.911 0.005 . 1 . . . A 43 CYS HA . 19169 1 512 . 1 1 43 43 CYS HB2 H 1 3.033 0.008 . 2 . . . A 43 CYS HB2 . 19169 1 513 . 1 1 43 43 CYS HB3 H 1 2.937 0.008 . 2 . . . A 43 CYS HB3 . 19169 1 514 . 1 1 43 43 CYS C C 13 174.842 0.009 . 1 . . . A 43 CYS C . 19169 1 515 . 1 1 43 43 CYS CA C 13 57.422 0.007 . 1 . . . A 43 CYS CA . 19169 1 516 . 1 1 43 43 CYS CB C 13 27.235 0.005 . 1 . . . A 43 CYS CB . 19169 1 517 . 1 1 43 43 CYS N N 15 120.986 0.020 . 1 . . . A 43 CYS N . 19169 1 518 . 1 1 44 44 LYS H H 1 9.326 0.004 . 1 . . . A 44 LYS H . 19169 1 519 . 1 1 44 44 LYS HA H 1 4.157 0.003 . 1 . . . A 44 LYS HA . 19169 1 520 . 1 1 44 44 LYS HB2 H 1 2.056 0.018 . 1 . . . A 44 LYS HB2 . 19169 1 521 . 1 1 44 44 LYS HB3 H 1 2.056 0.018 . 1 . . . A 44 LYS HB3 . 19169 1 522 . 1 1 44 44 LYS HE2 H 1 3.049 0.010 . 1 . . . A 44 LYS HE2 . 19169 1 523 . 1 1 44 44 LYS HE3 H 1 3.049 0.010 . 1 . . . A 44 LYS HE3 . 19169 1 524 . 1 1 44 44 LYS C C 13 176.206 0.020 . 1 . . . A 44 LYS C . 19169 1 525 . 1 1 44 44 LYS CA C 13 62.084 0.003 . 1 . . . A 44 LYS CA . 19169 1 526 . 1 1 44 44 LYS CB C 13 29.683 0.005 . 1 . . . A 44 LYS CB . 19169 1 527 . 1 1 44 44 LYS CE C 13 42.346 0.020 . 1 . . . A 44 LYS CE . 19169 1 528 . 1 1 44 44 LYS N N 15 128.940 0.023 . 1 . . . A 44 LYS N . 19169 1 529 . 1 1 45 45 PRO HA H 1 4.393 0.014 . 1 . . . A 45 PRO HA . 19169 1 530 . 1 1 45 45 PRO HB2 H 1 2.628 0.003 . 2 . . . A 45 PRO HB2 . 19169 1 531 . 1 1 45 45 PRO HB3 H 1 1.820 0.006 . 2 . . . A 45 PRO HB3 . 19169 1 532 . 1 1 45 45 PRO HG2 H 1 2.312 0.003 . 2 . . . A 45 PRO HG2 . 19169 1 533 . 1 1 45 45 PRO HG3 H 1 2.143 0.003 . 2 . . . A 45 PRO HG3 . 19169 1 534 . 1 1 45 45 PRO HD2 H 1 3.823 0.005 . 2 . . . A 45 PRO HD2 . 19169 1 535 . 1 1 45 45 PRO HD3 H 1 4.426 0.009 . 2 . . . A 45 PRO HD3 . 19169 1 536 . 1 1 45 45 PRO C C 13 178.595 0.006 . 1 . . . A 45 PRO C . 19169 1 537 . 1 1 45 45 PRO CA C 13 66.743 0.021 . 1 . . . A 45 PRO CA . 19169 1 538 . 1 1 45 45 PRO CB C 13 31.915 0.050 . 1 . . . A 45 PRO CB . 19169 1 539 . 1 1 45 45 PRO CG C 13 28.667 0.001 . 1 . . . A 45 PRO CG . 19169 1 540 . 1 1 45 45 PRO CD C 13 50.719 0.030 . 1 . . . A 45 PRO CD . 19169 1 541 . 1 1 46 46 CYS H H 1 7.274 0.003 . 1 . . . A 46 CYS H . 19169 1 542 . 1 1 46 46 CYS HA H 1 4.141 0.010 . 1 . . . A 46 CYS HA . 19169 1 543 . 1 1 46 46 CYS HB2 H 1 3.723 0.010 . 2 . . . A 46 CYS HB2 . 19169 1 544 . 1 1 46 46 CYS HB3 H 1 3.135 0.002 . 2 . . . A 46 CYS HB3 . 19169 1 545 . 1 1 46 46 CYS C C 13 176.624 0.021 . 1 . . . A 46 CYS C . 19169 1 546 . 1 1 46 46 CYS CA C 13 62.413 0.003 . 1 . . . A 46 CYS CA . 19169 1 547 . 1 1 46 46 CYS CB C 13 28.616 0.006 . 1 . . . A 46 CYS CB . 19169 1 548 . 1 1 46 46 CYS N N 15 110.156 0.072 . 1 . . . A 46 CYS N . 19169 1 549 . 1 1 47 47 LEU H H 1 7.477 0.003 . 1 . . . A 47 LEU H . 19169 1 550 . 1 1 47 47 LEU HA H 1 4.037 0.011 . 1 . . . A 47 LEU HA . 19169 1 551 . 1 1 47 47 LEU HB2 H 1 1.695 0.013 . 2 . . . A 47 LEU HB2 . 19169 1 552 . 1 1 47 47 LEU HB3 H 1 2.030 0.011 . 2 . . . A 47 LEU HB3 . 19169 1 553 . 1 1 47 47 LEU HG H 1 1.987 0.007 . 1 . . . A 47 LEU HG . 19169 1 554 . 1 1 47 47 LEU HD11 H 1 0.993 0.004 . 2 . . . A 47 LEU HD11 . 19169 1 555 . 1 1 47 47 LEU HD12 H 1 0.993 0.004 . 2 . . . A 47 LEU HD12 . 19169 1 556 . 1 1 47 47 LEU HD13 H 1 0.993 0.004 . 2 . . . A 47 LEU HD13 . 19169 1 557 . 1 1 47 47 LEU HD21 H 1 1.059 0.010 . 2 . . . A 47 LEU HD21 . 19169 1 558 . 1 1 47 47 LEU HD22 H 1 1.059 0.010 . 2 . . . A 47 LEU HD22 . 19169 1 559 . 1 1 47 47 LEU HD23 H 1 1.059 0.010 . 2 . . . A 47 LEU HD23 . 19169 1 560 . 1 1 47 47 LEU C C 13 179.949 0.009 . 1 . . . A 47 LEU C . 19169 1 561 . 1 1 47 47 LEU CA C 13 57.560 0.015 . 1 . . . A 47 LEU CA . 19169 1 562 . 1 1 47 47 LEU CB C 13 40.141 0.036 . 1 . . . A 47 LEU CB . 19169 1 563 . 1 1 47 47 LEU CG C 13 27.280 0.028 . 1 . . . A 47 LEU CG . 19169 1 564 . 1 1 47 47 LEU CD1 C 13 22.783 0.066 . 2 . . . A 47 LEU CD1 . 19169 1 565 . 1 1 47 47 LEU CD2 C 13 25.292 0.058 . 2 . . . A 47 LEU CD2 . 19169 1 566 . 1 1 47 47 LEU N N 15 119.607 0.026 . 1 . . . A 47 LEU N . 19169 1 567 . 1 1 48 48 ARG H H 1 8.334 0.003 . 1 . . . A 48 ARG H . 19169 1 568 . 1 1 48 48 ARG HA H 1 4.060 0.010 . 1 . . . A 48 ARG HA . 19169 1 569 . 1 1 48 48 ARG HB2 H 1 1.925 0.014 . 2 . . . A 48 ARG HB2 . 19169 1 570 . 1 1 48 48 ARG HB3 H 1 2.013 0.014 . 2 . . . A 48 ARG HB3 . 19169 1 571 . 1 1 48 48 ARG HG2 H 1 1.824 0.009 . 1 . . . A 48 ARG HG2 . 19169 1 572 . 1 1 48 48 ARG HG3 H 1 1.824 0.009 . 1 . . . A 48 ARG HG3 . 19169 1 573 . 1 1 48 48 ARG HD2 H 1 3.274 0.009 . 2 . . . A 48 ARG HD2 . 19169 1 574 . 1 1 48 48 ARG HD3 H 1 3.312 0.010 . 2 . . . A 48 ARG HD3 . 19169 1 575 . 1 1 48 48 ARG HE H 1 7.882 0.003 . 1 . . . A 48 ARG HE . 19169 1 576 . 1 1 48 48 ARG C C 13 178.718 0.017 . 1 . . . A 48 ARG C . 19169 1 577 . 1 1 48 48 ARG CA C 13 59.030 0.005 . 1 . . . A 48 ARG CA . 19169 1 578 . 1 1 48 48 ARG CB C 13 29.563 0.007 . 1 . . . A 48 ARG CB . 19169 1 579 . 1 1 48 48 ARG CG C 13 27.552 0.026 . 1 . . . A 48 ARG CG . 19169 1 580 . 1 1 48 48 ARG CD C 13 43.052 0.007 . 1 . . . A 48 ARG CD . 19169 1 581 . 1 1 48 48 ARG CZ C 13 160.105 0.020 . 1 . . . A 48 ARG CZ . 19169 1 582 . 1 1 48 48 ARG N N 15 120.141 0.028 . 1 . . . A 48 ARG N . 19169 1 583 . 1 1 48 48 ARG NE N 15 84.977 0.033 . 1 . . . A 48 ARG NE . 19169 1 584 . 1 1 49 49 GLU H H 1 7.526 0.004 . 1 . . . A 49 GLU H . 19169 1 585 . 1 1 49 49 GLU HA H 1 3.322 0.013 . 1 . . . A 49 GLU HA . 19169 1 586 . 1 1 49 49 GLU HB2 H 1 1.749 0.002 . 2 . . . A 49 GLU HB2 . 19169 1 587 . 1 1 49 49 GLU HB3 H 1 0.801 0.013 . 2 . . . A 49 GLU HB3 . 19169 1 588 . 1 1 49 49 GLU HG2 H 1 1.983 0.003 . 2 . . . A 49 GLU HG2 . 19169 1 589 . 1 1 49 49 GLU HG3 H 1 1.844 0.016 . 2 . . . A 49 GLU HG3 . 19169 1 590 . 1 1 49 49 GLU C C 13 177.497 0.007 . 1 . . . A 49 GLU C . 19169 1 591 . 1 1 49 49 GLU CA C 13 59.449 0.014 . 1 . . . A 49 GLU CA . 19169 1 592 . 1 1 49 49 GLU CB C 13 26.739 0.008 . 1 . . . A 49 GLU CB . 19169 1 593 . 1 1 49 49 GLU CG C 13 32.969 0.020 . 1 . . . A 49 GLU CG . 19169 1 594 . 1 1 49 49 GLU N N 15 120.590 0.034 . 1 . . . A 49 GLU N . 19169 1 595 . 1 1 50 50 LEU H H 1 7.919 0.003 . 1 . . . A 50 LEU H . 19169 1 596 . 1 1 50 50 LEU HA H 1 3.590 0.008 . 1 . . . A 50 LEU HA . 19169 1 597 . 1 1 50 50 LEU HB2 H 1 0.515 0.007 . 2 . . . A 50 LEU HB2 . 19169 1 598 . 1 1 50 50 LEU HB3 H 1 1.539 0.010 . 2 . . . A 50 LEU HB3 . 19169 1 599 . 1 1 50 50 LEU HG H 1 1.338 0.006 . 1 . . . A 50 LEU HG . 19169 1 600 . 1 1 50 50 LEU HD11 H 1 -0.086 0.004 . 2 . . . A 50 LEU HD11 . 19169 1 601 . 1 1 50 50 LEU HD12 H 1 -0.086 0.004 . 2 . . . A 50 LEU HD12 . 19169 1 602 . 1 1 50 50 LEU HD13 H 1 -0.086 0.004 . 2 . . . A 50 LEU HD13 . 19169 1 603 . 1 1 50 50 LEU HD21 H 1 -0.203 0.003 . 2 . . . A 50 LEU HD21 . 19169 1 604 . 1 1 50 50 LEU HD22 H 1 -0.203 0.003 . 2 . . . A 50 LEU HD22 . 19169 1 605 . 1 1 50 50 LEU HD23 H 1 -0.203 0.003 . 2 . . . A 50 LEU HD23 . 19169 1 606 . 1 1 50 50 LEU C C 13 179.717 0.002 . 1 . . . A 50 LEU C . 19169 1 607 . 1 1 50 50 LEU CA C 13 57.860 0.046 . 1 . . . A 50 LEU CA . 19169 1 608 . 1 1 50 50 LEU CB C 13 41.009 0.027 . 1 . . . A 50 LEU CB . 19169 1 609 . 1 1 50 50 LEU CG C 13 27.176 0.025 . 1 . . . A 50 LEU CG . 19169 1 610 . 1 1 50 50 LEU CD1 C 13 21.441 0.023 . 2 . . . A 50 LEU CD1 . 19169 1 611 . 1 1 50 50 LEU CD2 C 13 25.073 0.031 . 2 . . . A 50 LEU CD2 . 19169 1 612 . 1 1 50 50 LEU N N 15 116.601 0.053 . 1 . . . A 50 LEU N . 19169 1 613 . 1 1 51 51 LYS H H 1 8.017 0.002 . 1 . . . A 51 LYS H . 19169 1 614 . 1 1 51 51 LYS HA H 1 4.392 0.005 . 1 . . . A 51 LYS HA . 19169 1 615 . 1 1 51 51 LYS HB2 H 1 2.045 0.009 . 1 . . . A 51 LYS HB2 . 19169 1 616 . 1 1 51 51 LYS HB3 H 1 2.045 0.009 . 1 . . . A 51 LYS HB3 . 19169 1 617 . 1 1 51 51 LYS HG2 H 1 1.567 0.003 . 1 . . . A 51 LYS HG2 . 19169 1 618 . 1 1 51 51 LYS HG3 H 1 1.567 0.003 . 1 . . . A 51 LYS HG3 . 19169 1 619 . 1 1 51 51 LYS HD2 H 1 1.857 0.008 . 1 . . . A 51 LYS HD2 . 19169 1 620 . 1 1 51 51 LYS HD3 H 1 1.857 0.008 . 1 . . . A 51 LYS HD3 . 19169 1 621 . 1 1 51 51 LYS HE2 H 1 3.026 0.005 . 1 . . . A 51 LYS HE2 . 19169 1 622 . 1 1 51 51 LYS HE3 H 1 3.026 0.005 . 1 . . . A 51 LYS HE3 . 19169 1 623 . 1 1 51 51 LYS C C 13 177.296 0.005 . 1 . . . A 51 LYS C . 19169 1 624 . 1 1 51 51 LYS CA C 13 58.552 0.046 . 1 . . . A 51 LYS CA . 19169 1 625 . 1 1 51 51 LYS CB C 13 32.238 0.042 . 1 . . . A 51 LYS CB . 19169 1 626 . 1 1 51 51 LYS CG C 13 24.804 0.020 . 1 . . . A 51 LYS CG . 19169 1 627 . 1 1 51 51 LYS CD C 13 28.743 0.019 . 1 . . . A 51 LYS CD . 19169 1 628 . 1 1 51 51 LYS CE C 13 42.265 0.020 . 1 . . . A 51 LYS CE . 19169 1 629 . 1 1 51 51 LYS N N 15 122.801 0.042 . 1 . . . A 51 LYS N . 19169 1 630 . 1 1 52 52 ALA H H 1 7.983 0.004 . 1 . . . A 52 ALA H . 19169 1 631 . 1 1 52 52 ALA HA H 1 4.076 0.005 . 1 . . . A 52 ALA HA . 19169 1 632 . 1 1 52 52 ALA HB1 H 1 1.444 0.007 . 1 . . . A 52 ALA HB1 . 19169 1 633 . 1 1 52 52 ALA HB2 H 1 1.444 0.007 . 1 . . . A 52 ALA HB2 . 19169 1 634 . 1 1 52 52 ALA HB3 H 1 1.444 0.007 . 1 . . . A 52 ALA HB3 . 19169 1 635 . 1 1 52 52 ALA C C 13 181.819 0.006 . 1 . . . A 52 ALA C . 19169 1 636 . 1 1 52 52 ALA CA C 13 55.114 0.027 . 1 . . . A 52 ALA CA . 19169 1 637 . 1 1 52 52 ALA CB C 13 17.495 0.029 . 1 . . . A 52 ALA CB . 19169 1 638 . 1 1 52 52 ALA N N 15 123.142 0.046 . 1 . . . A 52 ALA N . 19169 1 639 . 1 1 53 53 ILE H H 1 8.053 0.003 . 1 . . . A 53 ILE H . 19169 1 640 . 1 1 53 53 ILE HA H 1 3.003 0.005 . 1 . . . A 53 ILE HA . 19169 1 641 . 1 1 53 53 ILE HB H 1 1.296 0.008 . 1 . . . A 53 ILE HB . 19169 1 642 . 1 1 53 53 ILE HG12 H 1 0.657 0.001 . 2 . . . A 53 ILE HG12 . 19169 1 643 . 1 1 53 53 ILE HG13 H 1 1.726 0.008 . 2 . . . A 53 ILE HG13 . 19169 1 644 . 1 1 53 53 ILE HG21 H 1 0.319 0.005 . 1 . . . A 53 ILE HG21 . 19169 1 645 . 1 1 53 53 ILE HG22 H 1 0.319 0.005 . 1 . . . A 53 ILE HG22 . 19169 1 646 . 1 1 53 53 ILE HG23 H 1 0.319 0.005 . 1 . . . A 53 ILE HG23 . 19169 1 647 . 1 1 53 53 ILE HD11 H 1 0.579 0.007 . 1 . . . A 53 ILE HD11 . 19169 1 648 . 1 1 53 53 ILE HD12 H 1 0.579 0.007 . 1 . . . A 53 ILE HD12 . 19169 1 649 . 1 1 53 53 ILE HD13 H 1 0.579 0.007 . 1 . . . A 53 ILE HD13 . 19169 1 650 . 1 1 53 53 ILE C C 13 176.831 0.008 . 1 . . . A 53 ILE C . 19169 1 651 . 1 1 53 53 ILE CA C 13 64.313 0.051 . 1 . . . A 53 ILE CA . 19169 1 652 . 1 1 53 53 ILE CB C 13 38.145 0.002 . 1 . . . A 53 ILE CB . 19169 1 653 . 1 1 53 53 ILE CG1 C 13 29.520 0.020 . 1 . . . A 53 ILE CG1 . 19169 1 654 . 1 1 53 53 ILE CG2 C 13 16.583 0.012 . 1 . . . A 53 ILE CG2 . 19169 1 655 . 1 1 53 53 ILE CD1 C 13 13.984 0.009 . 1 . . . A 53 ILE CD1 . 19169 1 656 . 1 1 53 53 ILE N N 15 115.928 0.040 . 1 . . . A 53 ILE N . 19169 1 657 . 1 1 54 54 GLN H H 1 7.372 0.004 . 1 . . . A 54 GLN H . 19169 1 658 . 1 1 54 54 GLN HA H 1 3.582 0.007 . 1 . . . A 54 GLN HA . 19169 1 659 . 1 1 54 54 GLN HB2 H 1 2.434 0.010 . 2 . . . A 54 GLN HB2 . 19169 1 660 . 1 1 54 54 GLN HB3 H 1 2.061 0.004 . 2 . . . A 54 GLN HB3 . 19169 1 661 . 1 1 54 54 GLN HG2 H 1 2.387 0.010 . 1 . . . A 54 GLN HG2 . 19169 1 662 . 1 1 54 54 GLN HG3 H 1 2.387 0.010 . 1 . . . A 54 GLN HG3 . 19169 1 663 . 1 1 54 54 GLN HE21 H 1 6.986 0.003 . 1 . . . A 54 GLN HE21 . 19169 1 664 . 1 1 54 54 GLN HE22 H 1 7.044 0.003 . 1 . . . A 54 GLN HE22 . 19169 1 665 . 1 1 54 54 GLN C C 13 178.015 0.006 . 1 . . . A 54 GLN C . 19169 1 666 . 1 1 54 54 GLN CA C 13 59.441 0.016 . 1 . . . A 54 GLN CA . 19169 1 667 . 1 1 54 54 GLN CB C 13 27.434 0.025 . 1 . . . A 54 GLN CB . 19169 1 668 . 1 1 54 54 GLN CG C 13 33.406 0.044 . 1 . . . A 54 GLN CG . 19169 1 669 . 1 1 54 54 GLN CD C 13 179.333 0.016 . 1 . . . A 54 GLN CD . 19169 1 670 . 1 1 54 54 GLN N N 15 122.246 0.050 . 1 . . . A 54 GLN N . 19169 1 671 . 1 1 54 54 GLN NE2 N 15 110.475 0.032 . 1 . . . A 54 GLN NE2 . 19169 1 672 . 1 1 55 55 GLU H H 1 7.304 0.004 . 1 . . . A 55 GLU H . 19169 1 673 . 1 1 55 55 GLU HA H 1 4.064 0.011 . 1 . . . A 55 GLU HA . 19169 1 674 . 1 1 55 55 GLU HB2 H 1 2.120 0.010 . 1 . . . A 55 GLU HB2 . 19169 1 675 . 1 1 55 55 GLU HB3 H 1 2.120 0.010 . 1 . . . A 55 GLU HB3 . 19169 1 676 . 1 1 55 55 GLU HG2 H 1 2.419 0.014 . 2 . . . A 55 GLU HG2 . 19169 1 677 . 1 1 55 55 GLU HG3 H 1 2.582 0.010 . 2 . . . A 55 GLU HG3 . 19169 1 678 . 1 1 55 55 GLU C C 13 177.541 0.005 . 1 . . . A 55 GLU C . 19169 1 679 . 1 1 55 55 GLU CA C 13 58.736 0.037 . 1 . . . A 55 GLU CA . 19169 1 680 . 1 1 55 55 GLU CB C 13 29.914 0.027 . 1 . . . A 55 GLU CB . 19169 1 681 . 1 1 55 55 GLU CG C 13 35.641 0.012 . 1 . . . A 55 GLU CG . 19169 1 682 . 1 1 55 55 GLU N N 15 114.946 0.034 . 1 . . . A 55 GLU N . 19169 1 683 . 1 1 56 56 VAL H H 1 7.006 0.005 . 1 . . . A 56 VAL H . 19169 1 684 . 1 1 56 56 VAL HA H 1 4.623 0.006 . 1 . . . A 56 VAL HA . 19169 1 685 . 1 1 56 56 VAL HB H 1 2.366 0.006 . 1 . . . A 56 VAL HB . 19169 1 686 . 1 1 56 56 VAL HG11 H 1 0.182 0.004 . 2 . . . A 56 VAL HG11 . 19169 1 687 . 1 1 56 56 VAL HG12 H 1 0.182 0.004 . 2 . . . A 56 VAL HG12 . 19169 1 688 . 1 1 56 56 VAL HG13 H 1 0.182 0.004 . 2 . . . A 56 VAL HG13 . 19169 1 689 . 1 1 56 56 VAL HG21 H 1 0.861 0.005 . 2 . . . A 56 VAL HG21 . 19169 1 690 . 1 1 56 56 VAL HG22 H 1 0.861 0.005 . 2 . . . A 56 VAL HG22 . 19169 1 691 . 1 1 56 56 VAL HG23 H 1 0.861 0.005 . 2 . . . A 56 VAL HG23 . 19169 1 692 . 1 1 56 56 VAL C C 13 175.949 0.008 . 1 . . . A 56 VAL C . 19169 1 693 . 1 1 56 56 VAL CA C 13 60.472 0.014 . 1 . . . A 56 VAL CA . 19169 1 694 . 1 1 56 56 VAL CB C 13 33.482 0.019 . 1 . . . A 56 VAL CB . 19169 1 695 . 1 1 56 56 VAL CG1 C 13 18.873 0.007 . 2 . . . A 56 VAL CG1 . 19169 1 696 . 1 1 56 56 VAL CG2 C 13 21.886 0.016 . 2 . . . A 56 VAL CG2 . 19169 1 697 . 1 1 56 56 VAL N N 15 107.956 0.027 . 1 . . . A 56 VAL N . 19169 1 698 . 1 1 57 57 TYR H H 1 7.653 0.005 . 1 . . . A 57 TYR H . 19169 1 699 . 1 1 57 57 TYR HA H 1 3.647 0.005 . 1 . . . A 57 TYR HA . 19169 1 700 . 1 1 57 57 TYR HB2 H 1 2.786 0.004 . 2 . . . A 57 TYR HB2 . 19169 1 701 . 1 1 57 57 TYR HB3 H 1 3.348 0.006 . 2 . . . A 57 TYR HB3 . 19169 1 702 . 1 1 57 57 TYR HD1 H 1 6.972 0.007 . 3 . . . A 57 TYR HD1 . 19169 1 703 . 1 1 57 57 TYR HD2 H 1 6.972 0.007 . 3 . . . A 57 TYR HD2 . 19169 1 704 . 1 1 57 57 TYR HE1 H 1 6.650 0.002 . 3 . . . A 57 TYR HE1 . 19169 1 705 . 1 1 57 57 TYR HE2 H 1 6.650 0.002 . 3 . . . A 57 TYR HE2 . 19169 1 706 . 1 1 57 57 TYR C C 13 176.660 0.006 . 1 . . . A 57 TYR C . 19169 1 707 . 1 1 57 57 TYR CA C 13 60.783 0.035 . 1 . . . A 57 TYR CA . 19169 1 708 . 1 1 57 57 TYR CB C 13 38.649 0.051 . 1 . . . A 57 TYR CB . 19169 1 709 . 1 1 57 57 TYR CD1 C 13 132.473 0.068 . 3 . . . A 57 TYR CD1 . 19169 1 710 . 1 1 57 57 TYR CD2 C 13 132.473 0.068 . 3 . . . A 57 TYR CD2 . 19169 1 711 . 1 1 57 57 TYR CE1 C 13 117.508 0.037 . 3 . . . A 57 TYR CE1 . 19169 1 712 . 1 1 57 57 TYR CE2 C 13 117.508 0.037 . 3 . . . A 57 TYR CE2 . 19169 1 713 . 1 1 57 57 TYR N N 15 124.202 0.023 . 1 . . . A 57 TYR N . 19169 1 714 . 1 1 58 58 ALA H H 1 8.808 0.004 . 1 . . . A 58 ALA H . 19169 1 715 . 1 1 58 58 ALA HA H 1 4.088 0.012 . 1 . . . A 58 ALA HA . 19169 1 716 . 1 1 58 58 ALA HB1 H 1 1.347 0.011 . 1 . . . A 58 ALA HB1 . 19169 1 717 . 1 1 58 58 ALA HB2 H 1 1.347 0.011 . 1 . . . A 58 ALA HB2 . 19169 1 718 . 1 1 58 58 ALA HB3 H 1 1.347 0.011 . 1 . . . A 58 ALA HB3 . 19169 1 719 . 1 1 58 58 ALA C C 13 180.596 0.007 . 1 . . . A 58 ALA C . 19169 1 720 . 1 1 58 58 ALA CA C 13 55.189 0.052 . 1 . . . A 58 ALA CA . 19169 1 721 . 1 1 58 58 ALA CB C 13 17.417 0.016 . 1 . . . A 58 ALA CB . 19169 1 722 . 1 1 58 58 ALA N N 15 119.802 0.031 . 1 . . . A 58 ALA N . 19169 1 723 . 1 1 59 59 ASP H H 1 7.614 0.004 . 1 . . . A 59 ASP H . 19169 1 724 . 1 1 59 59 ASP HA H 1 4.505 0.009 . 1 . . . A 59 ASP HA . 19169 1 725 . 1 1 59 59 ASP HB2 H 1 2.909 0.017 . 2 . . . A 59 ASP HB2 . 19169 1 726 . 1 1 59 59 ASP HB3 H 1 3.050 0.006 . 2 . . . A 59 ASP HB3 . 19169 1 727 . 1 1 59 59 ASP C C 13 179.159 0.007 . 1 . . . A 59 ASP C . 19169 1 728 . 1 1 59 59 ASP CA C 13 57.203 0.028 . 1 . . . A 59 ASP CA . 19169 1 729 . 1 1 59 59 ASP CB C 13 39.640 0.023 . 1 . . . A 59 ASP CB . 19169 1 730 . 1 1 59 59 ASP N N 15 118.866 0.020 . 1 . . . A 59 ASP N . 19169 1 731 . 1 1 60 60 TRP H H 1 8.812 0.003 . 1 . . . A 60 TRP H . 19169 1 732 . 1 1 60 60 TRP HA H 1 4.473 0.009 . 1 . . . A 60 TRP HA . 19169 1 733 . 1 1 60 60 TRP HB2 H 1 3.423 0.009 . 2 . . . A 60 TRP HB2 . 19169 1 734 . 1 1 60 60 TRP HB3 H 1 2.860 0.004 . 2 . . . A 60 TRP HB3 . 19169 1 735 . 1 1 60 60 TRP HD1 H 1 7.130 0.006 . 1 . . . A 60 TRP HD1 . 19169 1 736 . 1 1 60 60 TRP HE1 H 1 10.462 0.001 . 1 . . . A 60 TRP HE1 . 19169 1 737 . 1 1 60 60 TRP HE3 H 1 7.085 0.004 . 1 . . . A 60 TRP HE3 . 19169 1 738 . 1 1 60 60 TRP HZ2 H 1 7.255 0.004 . 1 . . . A 60 TRP HZ2 . 19169 1 739 . 1 1 60 60 TRP HZ3 H 1 6.634 0.005 . 1 . . . A 60 TRP HZ3 . 19169 1 740 . 1 1 60 60 TRP HH2 H 1 7.064 0.005 . 1 . . . A 60 TRP HH2 . 19169 1 741 . 1 1 60 60 TRP C C 13 181.140 0.011 . 1 . . . A 60 TRP C . 19169 1 742 . 1 1 60 60 TRP CA C 13 59.403 0.037 . 1 . . . A 60 TRP CA . 19169 1 743 . 1 1 60 60 TRP CB C 13 29.213 0.016 . 1 . . . A 60 TRP CB . 19169 1 744 . 1 1 60 60 TRP CD1 C 13 124.734 0.049 . 1 . . . A 60 TRP CD1 . 19169 1 745 . 1 1 60 60 TRP CE3 C 13 118.008 0.034 . 1 . . . A 60 TRP CE3 . 19169 1 746 . 1 1 60 60 TRP CZ2 C 13 114.926 0.047 . 1 . . . A 60 TRP CZ2 . 19169 1 747 . 1 1 60 60 TRP CZ3 C 13 120.394 0.016 . 1 . . . A 60 TRP CZ3 . 19169 1 748 . 1 1 60 60 TRP CH2 C 13 124.162 0.061 . 1 . . . A 60 TRP CH2 . 19169 1 749 . 1 1 60 60 TRP N N 15 121.893 0.022 . 1 . . . A 60 TRP N . 19169 1 750 . 1 1 60 60 TRP NE1 N 15 130.052 0.039 . 1 . . . A 60 TRP NE1 . 19169 1 751 . 1 1 61 61 GLN H H 1 9.231 0.003 . 1 . . . A 61 GLN H . 19169 1 752 . 1 1 61 61 GLN HA H 1 3.835 0.008 . 1 . . . A 61 GLN HA . 19169 1 753 . 1 1 61 61 GLN HB2 H 1 2.014 0.012 . 2 . . . A 61 GLN HB2 . 19169 1 754 . 1 1 61 61 GLN HB3 H 1 1.780 0.009 . 2 . . . A 61 GLN HB3 . 19169 1 755 . 1 1 61 61 GLN HG2 H 1 2.042 0.008 . 2 . . . A 61 GLN HG2 . 19169 1 756 . 1 1 61 61 GLN HG3 H 1 1.763 0.010 . 2 . . . A 61 GLN HG3 . 19169 1 757 . 1 1 61 61 GLN HE21 H 1 7.268 0.002 . 1 . . . A 61 GLN HE21 . 19169 1 758 . 1 1 61 61 GLN HE22 H 1 6.682 0.003 . 1 . . . A 61 GLN HE22 . 19169 1 759 . 1 1 61 61 GLN C C 13 179.025 0.012 . 1 . . . A 61 GLN C . 19169 1 760 . 1 1 61 61 GLN CA C 13 60.916 0.052 . 1 . . . A 61 GLN CA . 19169 1 761 . 1 1 61 61 GLN CB C 13 29.891 0.137 . 1 . . . A 61 GLN CB . 19169 1 762 . 1 1 61 61 GLN CG C 13 33.935 0.030 . 1 . . . A 61 GLN CG . 19169 1 763 . 1 1 61 61 GLN CD C 13 181.188 0.014 . 1 . . . A 61 GLN CD . 19169 1 764 . 1 1 61 61 GLN N N 15 121.783 0.029 . 1 . . . A 61 GLN N . 19169 1 765 . 1 1 61 61 GLN NE2 N 15 110.821 0.074 . 1 . . . A 61 GLN NE2 . 19169 1 766 . 1 1 62 62 ASP H H 1 8.412 0.002 . 1 . . . A 62 ASP H . 19169 1 767 . 1 1 62 62 ASP HA H 1 4.355 0.007 . 1 . . . A 62 ASP HA . 19169 1 768 . 1 1 62 62 ASP HB2 H 1 2.793 0.014 . 2 . . . A 62 ASP HB2 . 19169 1 769 . 1 1 62 62 ASP HB3 H 1 2.943 0.009 . 2 . . . A 62 ASP HB3 . 19169 1 770 . 1 1 62 62 ASP C C 13 177.472 0.009 . 1 . . . A 62 ASP C . 19169 1 771 . 1 1 62 62 ASP CA C 13 57.449 0.035 . 1 . . . A 62 ASP CA . 19169 1 772 . 1 1 62 62 ASP CB C 13 41.009 0.023 . 1 . . . A 62 ASP CB . 19169 1 773 . 1 1 62 62 ASP N N 15 121.548 0.021 . 1 . . . A 62 ASP N . 19169 1 774 . 1 1 63 63 GLU H H 1 8.106 0.003 . 1 . . . A 63 GLU H . 19169 1 775 . 1 1 63 63 GLU HA H 1 4.121 0.014 . 1 . . . A 63 GLU HA . 19169 1 776 . 1 1 63 63 GLU HB2 H 1 2.030 0.005 . 2 . . . A 63 GLU HB2 . 19169 1 777 . 1 1 63 63 GLU HB3 H 1 2.215 0.003 . 2 . . . A 63 GLU HB3 . 19169 1 778 . 1 1 63 63 GLU HG2 H 1 2.485 0.004 . 2 . . . A 63 GLU HG2 . 19169 1 779 . 1 1 63 63 GLU HG3 H 1 2.097 0.004 . 2 . . . A 63 GLU HG3 . 19169 1 780 . 1 1 63 63 GLU C C 13 178.265 0.010 . 1 . . . A 63 GLU C . 19169 1 781 . 1 1 63 63 GLU CA C 13 58.988 0.003 . 1 . . . A 63 GLU CA . 19169 1 782 . 1 1 63 63 GLU CB C 13 30.924 0.021 . 1 . . . A 63 GLU CB . 19169 1 783 . 1 1 63 63 GLU CG C 13 35.524 0.013 . 1 . . . A 63 GLU CG . 19169 1 784 . 1 1 63 63 GLU N N 15 115.417 0.049 . 1 . . . A 63 GLU N . 19169 1 785 . 1 1 64 64 THR H H 1 7.902 0.003 . 1 . . . A 64 THR H . 19169 1 786 . 1 1 64 64 THR HA H 1 4.579 0.009 . 1 . . . A 64 THR HA . 19169 1 787 . 1 1 64 64 THR HB H 1 3.981 0.008 . 1 . . . A 64 THR HB . 19169 1 788 . 1 1 64 64 THR HG21 H 1 0.979 0.006 . 1 . . . A 64 THR HG21 . 19169 1 789 . 1 1 64 64 THR HG22 H 1 0.979 0.006 . 1 . . . A 64 THR HG22 . 19169 1 790 . 1 1 64 64 THR HG23 H 1 0.979 0.006 . 1 . . . A 64 THR HG23 . 19169 1 791 . 1 1 64 64 THR C C 13 175.048 0.013 . 1 . . . A 64 THR C . 19169 1 792 . 1 1 64 64 THR CA C 13 62.248 0.024 . 1 . . . A 64 THR CA . 19169 1 793 . 1 1 64 64 THR CB C 13 73.620 0.014 . 1 . . . A 64 THR CB . 19169 1 794 . 1 1 64 64 THR CG2 C 13 21.405 0.054 . 1 . . . A 64 THR CG2 . 19169 1 795 . 1 1 64 64 THR N N 15 103.005 0.039 . 1 . . . A 64 THR N . 19169 1 796 . 1 1 65 65 GLY H H 1 8.541 0.003 . 1 . . . A 65 GLY H . 19169 1 797 . 1 1 65 65 GLY HA2 H 1 4.157 0.002 . 2 . . . A 65 GLY HA2 . 19169 1 798 . 1 1 65 65 GLY HA3 H 1 3.897 0.008 . 2 . . . A 65 GLY HA3 . 19169 1 799 . 1 1 65 65 GLY C C 13 173.734 0.011 . 1 . . . A 65 GLY C . 19169 1 800 . 1 1 65 65 GLY CA C 13 45.675 0.017 . 1 . . . A 65 GLY CA . 19169 1 801 . 1 1 65 65 GLY N N 15 110.471 0.054 . 1 . . . A 65 GLY N . 19169 1 802 . 1 1 66 66 VAL H H 1 7.433 0.004 . 1 . . . A 66 VAL H . 19169 1 803 . 1 1 66 66 VAL HA H 1 4.160 0.010 . 1 . . . A 66 VAL HA . 19169 1 804 . 1 1 66 66 VAL HB H 1 2.017 0.009 . 1 . . . A 66 VAL HB . 19169 1 805 . 1 1 66 66 VAL HG11 H 1 0.906 0.009 . 2 . . . A 66 VAL HG11 . 19169 1 806 . 1 1 66 66 VAL HG12 H 1 0.906 0.009 . 2 . . . A 66 VAL HG12 . 19169 1 807 . 1 1 66 66 VAL HG13 H 1 0.906 0.009 . 2 . . . A 66 VAL HG13 . 19169 1 808 . 1 1 66 66 VAL HG21 H 1 0.666 0.006 . 2 . . . A 66 VAL HG21 . 19169 1 809 . 1 1 66 66 VAL HG22 H 1 0.666 0.006 . 2 . . . A 66 VAL HG22 . 19169 1 810 . 1 1 66 66 VAL HG23 H 1 0.666 0.006 . 2 . . . A 66 VAL HG23 . 19169 1 811 . 1 1 66 66 VAL C C 13 170.844 0.006 . 1 . . . A 66 VAL C . 19169 1 812 . 1 1 66 66 VAL CA C 13 60.981 0.064 . 1 . . . A 66 VAL CA . 19169 1 813 . 1 1 66 66 VAL CB C 13 31.653 0.034 . 1 . . . A 66 VAL CB . 19169 1 814 . 1 1 66 66 VAL CG1 C 13 22.629 0.020 . 2 . . . A 66 VAL CG1 . 19169 1 815 . 1 1 66 66 VAL CG2 C 13 19.992 0.010 . 2 . . . A 66 VAL CG2 . 19169 1 816 . 1 1 66 66 VAL N N 15 119.619 0.022 . 1 . . . A 66 VAL N . 19169 1 817 . 1 1 67 67 ARG H H 1 6.885 0.005 . 1 . . . A 67 ARG H . 19169 1 818 . 1 1 67 67 ARG HA H 1 5.238 0.009 . 1 . . . A 67 ARG HA . 19169 1 819 . 1 1 67 67 ARG HB2 H 1 2.011 0.010 . 2 . . . A 67 ARG HB2 . 19169 1 820 . 1 1 67 67 ARG HB3 H 1 1.649 0.012 . 2 . . . A 67 ARG HB3 . 19169 1 821 . 1 1 67 67 ARG HG2 H 1 1.440 0.009 . 1 . . . A 67 ARG HG2 . 19169 1 822 . 1 1 67 67 ARG HG3 H 1 1.440 0.009 . 1 . . . A 67 ARG HG3 . 19169 1 823 . 1 1 67 67 ARG HD2 H 1 3.168 0.008 . 1 . . . A 67 ARG HD2 . 19169 1 824 . 1 1 67 67 ARG HD3 H 1 3.167 0.008 . 1 . . . A 67 ARG HD3 . 19169 1 825 . 1 1 67 67 ARG HE H 1 6.849 0.003 . 1 . . . A 67 ARG HE . 19169 1 826 . 1 1 67 67 ARG C C 13 173.220 0.012 . 1 . . . A 67 ARG C . 19169 1 827 . 1 1 67 67 ARG CA C 13 53.925 0.076 . 1 . . . A 67 ARG CA . 19169 1 828 . 1 1 67 67 ARG CB C 13 33.804 0.014 . 1 . . . A 67 ARG CB . 19169 1 829 . 1 1 67 67 ARG CG C 13 27.666 0.023 . 1 . . . A 67 ARG CG . 19169 1 830 . 1 1 67 67 ARG CD C 13 43.902 0.033 . 1 . . . A 67 ARG CD . 19169 1 831 . 1 1 67 67 ARG CZ C 13 160.306 0.020 . 1 . . . A 67 ARG CZ . 19169 1 832 . 1 1 67 67 ARG N N 15 120.403 0.034 . 1 . . . A 67 ARG N . 19169 1 833 . 1 1 67 67 ARG NE N 15 83.017 0.036 . 1 . . . A 67 ARG NE . 19169 1 834 . 1 1 68 68 LEU H H 1 8.810 0.004 . 1 . . . A 68 LEU H . 19169 1 835 . 1 1 68 68 LEU HA H 1 5.459 0.007 . 1 . . . A 68 LEU HA . 19169 1 836 . 1 1 68 68 LEU HB2 H 1 1.417 0.008 . 2 . . . A 68 LEU HB2 . 19169 1 837 . 1 1 68 68 LEU HB3 H 1 1.109 0.011 . 2 . . . A 68 LEU HB3 . 19169 1 838 . 1 1 68 68 LEU HG H 1 1.165 0.008 . 1 . . . A 68 LEU HG . 19169 1 839 . 1 1 68 68 LEU HD11 H 1 -0.497 0.009 . 2 . . . A 68 LEU HD11 . 19169 1 840 . 1 1 68 68 LEU HD12 H 1 -0.497 0.009 . 2 . . . A 68 LEU HD12 . 19169 1 841 . 1 1 68 68 LEU HD13 H 1 -0.497 0.009 . 2 . . . A 68 LEU HD13 . 19169 1 842 . 1 1 68 68 LEU HD21 H 1 0.359 0.007 . 2 . . . A 68 LEU HD21 . 19169 1 843 . 1 1 68 68 LEU HD22 H 1 0.359 0.007 . 2 . . . A 68 LEU HD22 . 19169 1 844 . 1 1 68 68 LEU HD23 H 1 0.359 0.007 . 2 . . . A 68 LEU HD23 . 19169 1 845 . 1 1 68 68 LEU C C 13 174.636 0.008 . 1 . . . A 68 LEU C . 19169 1 846 . 1 1 68 68 LEU CA C 13 54.601 0.016 . 1 . . . A 68 LEU CA . 19169 1 847 . 1 1 68 68 LEU CB C 13 45.216 0.001 . 1 . . . A 68 LEU CB . 19169 1 848 . 1 1 68 68 LEU CG C 13 27.991 0.020 . 1 . . . A 68 LEU CG . 19169 1 849 . 1 1 68 68 LEU CD1 C 13 22.349 0.009 . 2 . . . A 68 LEU CD1 . 19169 1 850 . 1 1 68 68 LEU CD2 C 13 27.898 0.011 . 2 . . . A 68 LEU CD2 . 19169 1 851 . 1 1 68 68 LEU N N 15 126.577 0.034 . 1 . . . A 68 LEU N . 19169 1 852 . 1 1 69 69 ILE H H 1 9.469 0.005 . 1 . . . A 69 ILE H . 19169 1 853 . 1 1 69 69 ILE HA H 1 4.640 0.015 . 1 . . . A 69 ILE HA . 19169 1 854 . 1 1 69 69 ILE HB H 1 1.788 0.012 . 1 . . . A 69 ILE HB . 19169 1 855 . 1 1 69 69 ILE HG12 H 1 1.435 0.006 . 2 . . . A 69 ILE HG12 . 19169 1 856 . 1 1 69 69 ILE HG13 H 1 1.214 0.009 . 2 . . . A 69 ILE HG13 . 19169 1 857 . 1 1 69 69 ILE HG21 H 1 0.678 0.007 . 1 . . . A 69 ILE HG21 . 19169 1 858 . 1 1 69 69 ILE HG22 H 1 0.678 0.007 . 1 . . . A 69 ILE HG22 . 19169 1 859 . 1 1 69 69 ILE HG23 H 1 0.678 0.007 . 1 . . . A 69 ILE HG23 . 19169 1 860 . 1 1 69 69 ILE HD11 H 1 0.850 0.007 . 1 . . . A 69 ILE HD11 . 19169 1 861 . 1 1 69 69 ILE HD12 H 1 0.850 0.007 . 1 . . . A 69 ILE HD12 . 19169 1 862 . 1 1 69 69 ILE HD13 H 1 0.850 0.007 . 1 . . . A 69 ILE HD13 . 19169 1 863 . 1 1 69 69 ILE C C 13 173.065 0.009 . 1 . . . A 69 ILE C . 19169 1 864 . 1 1 69 69 ILE CA C 13 60.414 0.014 . 1 . . . A 69 ILE CA . 19169 1 865 . 1 1 69 69 ILE CB C 13 40.067 0.062 . 1 . . . A 69 ILE CB . 19169 1 866 . 1 1 69 69 ILE CG1 C 13 29.122 0.016 . 1 . . . A 69 ILE CG1 . 19169 1 867 . 1 1 69 69 ILE CG2 C 13 18.310 0.019 . 1 . . . A 69 ILE CG2 . 19169 1 868 . 1 1 69 69 ILE CD1 C 13 16.088 0.026 . 1 . . . A 69 ILE CD1 . 19169 1 869 . 1 1 69 69 ILE N N 15 129.905 0.032 . 1 . . . A 69 ILE N . 19169 1 870 . 1 1 70 70 ALA H H 1 9.273 0.004 . 1 . . . A 70 ALA H . 19169 1 871 . 1 1 70 70 ALA HA H 1 5.036 0.008 . 1 . . . A 70 ALA HA . 19169 1 872 . 1 1 70 70 ALA HB1 H 1 0.941 0.012 . 1 . . . A 70 ALA HB1 . 19169 1 873 . 1 1 70 70 ALA HB2 H 1 0.941 0.012 . 1 . . . A 70 ALA HB2 . 19169 1 874 . 1 1 70 70 ALA HB3 H 1 0.941 0.012 . 1 . . . A 70 ALA HB3 . 19169 1 875 . 1 1 70 70 ALA C C 13 175.375 0.005 . 1 . . . A 70 ALA C . 19169 1 876 . 1 1 70 70 ALA CA C 13 49.500 0.027 . 1 . . . A 70 ALA CA . 19169 1 877 . 1 1 70 70 ALA CB C 13 19.405 0.042 . 1 . . . A 70 ALA CB . 19169 1 878 . 1 1 70 70 ALA N N 15 133.029 0.035 . 1 . . . A 70 ALA N . 19169 1 879 . 1 1 71 71 VAL H H 1 9.428 0.003 . 1 . . . A 71 VAL H . 19169 1 880 . 1 1 71 71 VAL HA H 1 4.482 0.004 . 1 . . . A 71 VAL HA . 19169 1 881 . 1 1 71 71 VAL HB H 1 1.160 0.011 . 1 . . . A 71 VAL HB . 19169 1 882 . 1 1 71 71 VAL HG11 H 1 0.729 0.007 . 2 . . . A 71 VAL HG11 . 19169 1 883 . 1 1 71 71 VAL HG12 H 1 0.729 0.007 . 2 . . . A 71 VAL HG12 . 19169 1 884 . 1 1 71 71 VAL HG13 H 1 0.729 0.007 . 2 . . . A 71 VAL HG13 . 19169 1 885 . 1 1 71 71 VAL HG21 H 1 0.418 0.004 . 2 . . . A 71 VAL HG21 . 19169 1 886 . 1 1 71 71 VAL HG22 H 1 0.418 0.004 . 2 . . . A 71 VAL HG22 . 19169 1 887 . 1 1 71 71 VAL HG23 H 1 0.418 0.004 . 2 . . . A 71 VAL HG23 . 19169 1 888 . 1 1 71 71 VAL C C 13 174.367 0.011 . 1 . . . A 71 VAL C . 19169 1 889 . 1 1 71 71 VAL CA C 13 60.779 0.101 . 1 . . . A 71 VAL CA . 19169 1 890 . 1 1 71 71 VAL CB C 13 32.666 0.028 . 1 . . . A 71 VAL CB . 19169 1 891 . 1 1 71 71 VAL CG1 C 13 23.467 0.030 . 2 . . . A 71 VAL CG1 . 19169 1 892 . 1 1 71 71 VAL CG2 C 13 20.749 0.008 . 2 . . . A 71 VAL CG2 . 19169 1 893 . 1 1 71 71 VAL N N 15 123.813 0.030 . 1 . . . A 71 VAL N . 19169 1 894 . 1 1 72 72 SER H H 1 8.991 0.004 . 1 . . . A 72 SER H . 19169 1 895 . 1 1 72 72 SER HA H 1 3.865 0.010 . 1 . . . A 72 SER HA . 19169 1 896 . 1 1 72 72 SER HB2 H 1 3.712 0.008 . 2 . . . A 72 SER HB2 . 19169 1 897 . 1 1 72 72 SER HB3 H 1 3.589 0.005 . 2 . . . A 72 SER HB3 . 19169 1 898 . 1 1 72 72 SER C C 13 176.426 0.020 . 1 . . . A 72 SER C . 19169 1 899 . 1 1 72 72 SER CA C 13 56.172 0.006 . 1 . . . A 72 SER CA . 19169 1 900 . 1 1 72 72 SER CB C 13 62.901 0.004 . 1 . . . A 72 SER CB . 19169 1 901 . 1 1 72 72 SER N N 15 122.517 0.022 . 1 . . . A 72 SER N . 19169 1 902 . 1 1 73 73 ILE H H 1 8.447 0.007 . 1 . . . A 73 ILE H . 19169 1 903 . 1 1 73 73 ILE HA H 1 4.868 0.006 . 1 . . . A 73 ILE HA . 19169 1 904 . 1 1 73 73 ILE HB H 1 2.372 0.007 . 1 . . . A 73 ILE HB . 19169 1 905 . 1 1 73 73 ILE HG21 H 1 1.309 0.004 . 1 . . . A 73 ILE HG21 . 19169 1 906 . 1 1 73 73 ILE HG22 H 1 1.309 0.004 . 1 . . . A 73 ILE HG22 . 19169 1 907 . 1 1 73 73 ILE HG23 H 1 1.309 0.004 . 1 . . . A 73 ILE HG23 . 19169 1 908 . 1 1 73 73 ILE HD11 H 1 0.852 0.006 . 1 . . . A 73 ILE HD11 . 19169 1 909 . 1 1 73 73 ILE HD12 H 1 0.852 0.006 . 1 . . . A 73 ILE HD12 . 19169 1 910 . 1 1 73 73 ILE HD13 H 1 0.852 0.006 . 1 . . . A 73 ILE HD13 . 19169 1 911 . 1 1 73 73 ILE C C 13 176.271 0.010 . 1 . . . A 73 ILE C . 19169 1 912 . 1 1 73 73 ILE CA C 13 60.100 0.036 . 1 . . . A 73 ILE CA . 19169 1 913 . 1 1 73 73 ILE CB C 13 37.197 0.045 . 1 . . . A 73 ILE CB . 19169 1 914 . 1 1 73 73 ILE CG2 C 13 19.060 0.015 . 1 . . . A 73 ILE CG2 . 19169 1 915 . 1 1 73 73 ILE CD1 C 13 15.592 0.070 . 1 . . . A 73 ILE CD1 . 19169 1 916 . 1 1 73 73 ILE N N 15 119.576 0.084 . 1 . . . A 73 ILE N . 19169 1 917 . 1 1 74 74 ASP H H 1 8.242 0.003 . 1 . . . A 74 ASP H . 19169 1 918 . 1 1 74 74 ASP HA H 1 4.199 0.004 . 1 . . . A 74 ASP HA . 19169 1 919 . 1 1 74 74 ASP HB2 H 1 2.140 0.007 . 2 . . . A 74 ASP HB2 . 19169 1 920 . 1 1 74 74 ASP HB3 H 1 1.901 0.008 . 2 . . . A 74 ASP HB3 . 19169 1 921 . 1 1 74 74 ASP C C 13 174.491 0.009 . 1 . . . A 74 ASP C . 19169 1 922 . 1 1 74 74 ASP CA C 13 55.760 0.060 . 1 . . . A 74 ASP CA . 19169 1 923 . 1 1 74 74 ASP CB C 13 41.437 0.006 . 1 . . . A 74 ASP CB . 19169 1 924 . 1 1 74 74 ASP N N 15 123.410 0.032 . 1 . . . A 74 ASP N . 19169 1 925 . 1 1 75 75 GLU H H 1 8.784 0.003 . 1 . . . A 75 GLU H . 19169 1 926 . 1 1 75 75 GLU HA H 1 4.682 0.005 . 1 . . . A 75 GLU HA . 19169 1 927 . 1 1 75 75 GLU HB2 H 1 2.140 0.009 . 2 . . . A 75 GLU HB2 . 19169 1 928 . 1 1 75 75 GLU HB3 H 1 1.951 0.007 . 2 . . . A 75 GLU HB3 . 19169 1 929 . 1 1 75 75 GLU HG2 H 1 2.334 0.012 . 2 . . . A 75 GLU HG2 . 19169 1 930 . 1 1 75 75 GLU HG3 H 1 2.429 0.010 . 2 . . . A 75 GLU HG3 . 19169 1 931 . 1 1 75 75 GLU C C 13 177.980 0.004 . 1 . . . A 75 GLU C . 19169 1 932 . 1 1 75 75 GLU CA C 13 55.019 0.042 . 1 . . . A 75 GLU CA . 19169 1 933 . 1 1 75 75 GLU CB C 13 32.472 0.022 . 1 . . . A 75 GLU CB . 19169 1 934 . 1 1 75 75 GLU CG C 13 36.221 0.045 . 1 . . . A 75 GLU CG . 19169 1 935 . 1 1 75 75 GLU N N 15 120.980 0.033 . 1 . . . A 75 GLU N . 19169 1 936 . 1 1 76 76 GLY H H 1 8.923 0.003 . 1 . . . A 76 GLY H . 19169 1 937 . 1 1 76 76 GLY HA2 H 1 3.983 0.006 . 2 . . . A 76 GLY HA2 . 19169 1 938 . 1 1 76 76 GLY HA3 H 1 3.815 0.007 . 2 . . . A 76 GLY HA3 . 19169 1 939 . 1 1 76 76 GLY C C 13 177.210 0.007 . 1 . . . A 76 GLY C . 19169 1 940 . 1 1 76 76 GLY CA C 13 46.652 0.064 . 1 . . . A 76 GLY CA . 19169 1 941 . 1 1 76 76 GLY N N 15 109.958 0.026 . 1 . . . A 76 GLY N . 19169 1 942 . 1 1 77 77 GLN H H 1 9.250 0.003 . 1 . . . A 77 GLN H . 19169 1 943 . 1 1 77 77 GLN HA H 1 4.196 0.004 . 1 . . . A 77 GLN HA . 19169 1 944 . 1 1 77 77 GLN HB2 H 1 2.093 0.006 . 2 . . . A 77 GLN HB2 . 19169 1 945 . 1 1 77 77 GLN HB3 H 1 2.150 0.004 . 2 . . . A 77 GLN HB3 . 19169 1 946 . 1 1 77 77 GLN HG2 H 1 2.449 0.007 . 1 . . . A 77 GLN HG2 . 19169 1 947 . 1 1 77 77 GLN HG3 H 1 2.449 0.007 . 1 . . . A 77 GLN HG3 . 19169 1 948 . 1 1 77 77 GLN C C 13 178.298 0.022 . 1 . . . A 77 GLN C . 19169 1 949 . 1 1 77 77 GLN CA C 13 57.869 0.049 . 1 . . . A 77 GLN CA . 19169 1 950 . 1 1 77 77 GLN CB C 13 28.126 0.025 . 1 . . . A 77 GLN CB . 19169 1 951 . 1 1 77 77 GLN CG C 13 33.750 0.035 . 1 . . . A 77 GLN CG . 19169 1 952 . 1 1 77 77 GLN N N 15 125.703 0.020 . 1 . . . A 77 GLN N . 19169 1 953 . 1 1 78 78 ASN H H 1 8.215 0.004 . 1 . . . A 78 ASN H . 19169 1 954 . 1 1 78 78 ASN HA H 1 4.453 0.006 . 1 . . . A 78 ASN HA . 19169 1 955 . 1 1 78 78 ASN HB2 H 1 3.065 0.005 . 2 . . . A 78 ASN HB2 . 19169 1 956 . 1 1 78 78 ASN HB3 H 1 2.929 0.009 . 2 . . . A 78 ASN HB3 . 19169 1 957 . 1 1 78 78 ASN HD21 H 1 7.096 0.002 . 1 . . . A 78 ASN HD21 . 19169 1 958 . 1 1 78 78 ASN HD22 H 1 7.764 0.002 . 1 . . . A 78 ASN HD22 . 19169 1 959 . 1 1 78 78 ASN C C 13 177.115 0.010 . 1 . . . A 78 ASN C . 19169 1 960 . 1 1 78 78 ASN CA C 13 55.350 0.003 . 1 . . . A 78 ASN CA . 19169 1 961 . 1 1 78 78 ASN CB C 13 37.864 0.006 . 1 . . . A 78 ASN CB . 19169 1 962 . 1 1 78 78 ASN CG C 13 176.312 0.007 . 1 . . . A 78 ASN CG . 19169 1 963 . 1 1 78 78 ASN N N 15 117.664 0.043 . 1 . . . A 78 ASN N . 19169 1 964 . 1 1 78 78 ASN ND2 N 15 113.651 0.058 . 1 . . . A 78 ASN ND2 . 19169 1 965 . 1 1 79 79 ALA H H 1 7.523 0.004 . 1 . . . A 79 ALA H . 19169 1 966 . 1 1 79 79 ALA HA H 1 3.891 0.005 . 1 . . . A 79 ALA HA . 19169 1 967 . 1 1 79 79 ALA HB1 H 1 1.419 0.004 . 1 . . . A 79 ALA HB1 . 19169 1 968 . 1 1 79 79 ALA HB2 H 1 1.419 0.004 . 1 . . . A 79 ALA HB2 . 19169 1 969 . 1 1 79 79 ALA HB3 H 1 1.419 0.004 . 1 . . . A 79 ALA HB3 . 19169 1 970 . 1 1 79 79 ALA C C 13 179.621 0.007 . 1 . . . A 79 ALA C . 19169 1 971 . 1 1 79 79 ALA CA C 13 54.769 0.005 . 1 . . . A 79 ALA CA . 19169 1 972 . 1 1 79 79 ALA CB C 13 18.206 0.013 . 1 . . . A 79 ALA CB . 19169 1 973 . 1 1 79 79 ALA N N 15 121.741 0.036 . 1 . . . A 79 ALA N . 19169 1 974 . 1 1 80 80 GLN H H 1 7.544 0.004 . 1 . . . A 80 GLN H . 19169 1 975 . 1 1 80 80 GLN HA H 1 4.210 0.007 . 1 . . . A 80 GLN HA . 19169 1 976 . 1 1 80 80 GLN HB2 H 1 2.160 0.011 . 2 . . . A 80 GLN HB2 . 19169 1 977 . 1 1 80 80 GLN HB3 H 1 2.283 0.017 . 2 . . . A 80 GLN HB3 . 19169 1 978 . 1 1 80 80 GLN HG2 H 1 2.476 0.007 . 1 . . . A 80 GLN HG2 . 19169 1 979 . 1 1 80 80 GLN HG3 H 1 2.476 0.007 . 1 . . . A 80 GLN HG3 . 19169 1 980 . 1 1 80 80 GLN C C 13 176.696 0.006 . 1 . . . A 80 GLN C . 19169 1 981 . 1 1 80 80 GLN CA C 13 57.253 0.069 . 1 . . . A 80 GLN CA . 19169 1 982 . 1 1 80 80 GLN CB C 13 28.322 0.019 . 1 . . . A 80 GLN CB . 19169 1 983 . 1 1 80 80 GLN CG C 13 34.010 0.019 . 1 . . . A 80 GLN CG . 19169 1 984 . 1 1 80 80 GLN N N 15 114.342 0.022 . 1 . . . A 80 GLN N . 19169 1 985 . 1 1 81 81 LYS H H 1 7.547 0.005 . 1 . . . A 81 LYS H . 19169 1 986 . 1 1 81 81 LYS HA H 1 4.180 0.002 . 1 . . . A 81 LYS HA . 19169 1 987 . 1 1 81 81 LYS HB2 H 1 1.692 0.001 . 1 . . . A 81 LYS HB2 . 19169 1 988 . 1 1 81 81 LYS HB3 H 1 1.692 0.001 . 1 . . . A 81 LYS HB3 . 19169 1 989 . 1 1 81 81 LYS HG2 H 1 1.554 0.004 . 2 . . . A 81 LYS HG2 . 19169 1 990 . 1 1 81 81 LYS HG3 H 1 1.444 0.001 . 2 . . . A 81 LYS HG3 . 19169 1 991 . 1 1 81 81 LYS C C 13 177.722 0.014 . 1 . . . A 81 LYS C . 19169 1 992 . 1 1 81 81 LYS CA C 13 56.848 0.040 . 1 . . . A 81 LYS CA . 19169 1 993 . 1 1 81 81 LYS CB C 13 33.048 0.034 . 1 . . . A 81 LYS CB . 19169 1 994 . 1 1 81 81 LYS N N 15 116.226 0.055 . 1 . . . A 81 LYS N . 19169 1 995 . 1 1 82 82 VAL H H 1 7.295 0.005 . 1 . . . A 82 VAL H . 19169 1 996 . 1 1 82 82 VAL HA H 1 3.397 0.005 . 1 . . . A 82 VAL HA . 19169 1 997 . 1 1 82 82 VAL HB H 1 2.211 0.005 . 1 . . . A 82 VAL HB . 19169 1 998 . 1 1 82 82 VAL HG11 H 1 1.061 0.006 . 2 . . . A 82 VAL HG11 . 19169 1 999 . 1 1 82 82 VAL HG12 H 1 1.061 0.006 . 2 . . . A 82 VAL HG12 . 19169 1 1000 . 1 1 82 82 VAL HG13 H 1 1.061 0.006 . 2 . . . A 82 VAL HG13 . 19169 1 1001 . 1 1 82 82 VAL HG21 H 1 1.059 0.008 . 2 . . . A 82 VAL HG21 . 19169 1 1002 . 1 1 82 82 VAL HG22 H 1 1.059 0.008 . 2 . . . A 82 VAL HG22 . 19169 1 1003 . 1 1 82 82 VAL HG23 H 1 1.059 0.008 . 2 . . . A 82 VAL HG23 . 19169 1 1004 . 1 1 82 82 VAL C C 13 176.247 0.013 . 1 . . . A 82 VAL C . 19169 1 1005 . 1 1 82 82 VAL CA C 13 67.258 0.011 . 1 . . . A 82 VAL CA . 19169 1 1006 . 1 1 82 82 VAL CB C 13 31.085 0.041 . 1 . . . A 82 VAL CB . 19169 1 1007 . 1 1 82 82 VAL CG1 C 13 23.721 0.028 . 2 . . . A 82 VAL CG1 . 19169 1 1008 . 1 1 82 82 VAL CG2 C 13 23.388 0.095 . 2 . . . A 82 VAL CG2 . 19169 1 1009 . 1 1 82 82 VAL N N 15 120.163 0.020 . 1 . . . A 82 VAL N . 19169 1 1010 . 1 1 83 83 LYS H H 1 9.215 0.002 . 1 . . . A 83 LYS H . 19169 1 1011 . 1 1 83 83 LYS HA H 1 4.158 0.011 . 1 . . . A 83 LYS HA . 19169 1 1012 . 1 1 83 83 LYS HB2 H 1 2.088 0.009 . 2 . . . A 83 LYS HB2 . 19169 1 1013 . 1 1 83 83 LYS HB3 H 1 1.979 0.008 . 2 . . . A 83 LYS HB3 . 19169 1 1014 . 1 1 83 83 LYS HG2 H 1 1.546 0.018 . 2 . . . A 83 LYS HG2 . 19169 1 1015 . 1 1 83 83 LYS HG3 H 1 1.682 0.003 . 2 . . . A 83 LYS HG3 . 19169 1 1016 . 1 1 83 83 LYS HD2 H 1 1.776 0.007 . 1 . . . A 83 LYS HD2 . 19169 1 1017 . 1 1 83 83 LYS HD3 H 1 1.776 0.007 . 1 . . . A 83 LYS HD3 . 19169 1 1018 . 1 1 83 83 LYS HE2 H 1 3.066 0.011 . 1 . . . A 83 LYS HE2 . 19169 1 1019 . 1 1 83 83 LYS HE3 H 1 3.066 0.011 . 1 . . . A 83 LYS HE3 . 19169 1 1020 . 1 1 83 83 LYS C C 13 174.594 0.020 . 1 . . . A 83 LYS C . 19169 1 1021 . 1 1 83 83 LYS CA C 13 61.809 0.050 . 1 . . . A 83 LYS CA . 19169 1 1022 . 1 1 83 83 LYS CB C 13 30.317 0.006 . 1 . . . A 83 LYS CB . 19169 1 1023 . 1 1 83 83 LYS CG C 13 25.815 0.021 . 1 . . . A 83 LYS CG . 19169 1 1024 . 1 1 83 83 LYS CD C 13 29.116 0.028 . 1 . . . A 83 LYS CD . 19169 1 1025 . 1 1 83 83 LYS CE C 13 42.045 0.020 . 1 . . . A 83 LYS CE . 19169 1 1026 . 1 1 83 83 LYS N N 15 120.728 0.024 . 1 . . . A 83 LYS N . 19169 1 1027 . 1 1 84 84 PRO HA H 1 4.350 0.004 . 1 . . . A 84 PRO HA . 19169 1 1028 . 1 1 84 84 PRO HB2 H 1 2.265 0.004 . 2 . . . A 84 PRO HB2 . 19169 1 1029 . 1 1 84 84 PRO HB3 H 1 1.764 0.005 . 2 . . . A 84 PRO HB3 . 19169 1 1030 . 1 1 84 84 PRO HG2 H 1 2.087 0.006 . 2 . . . A 84 PRO HG2 . 19169 1 1031 . 1 1 84 84 PRO HG3 H 1 2.008 0.011 . 2 . . . A 84 PRO HG3 . 19169 1 1032 . 1 1 84 84 PRO HD2 H 1 3.563 0.007 . 2 . . . A 84 PRO HD2 . 19169 1 1033 . 1 1 84 84 PRO HD3 H 1 3.641 0.004 . 2 . . . A 84 PRO HD3 . 19169 1 1034 . 1 1 84 84 PRO C C 13 179.998 0.009 . 1 . . . A 84 PRO C . 19169 1 1035 . 1 1 84 84 PRO CA C 13 65.813 0.006 . 1 . . . A 84 PRO CA . 19169 1 1036 . 1 1 84 84 PRO CB C 13 30.283 0.060 . 1 . . . A 84 PRO CB . 19169 1 1037 . 1 1 84 84 PRO CG C 13 27.926 0.064 . 1 . . . A 84 PRO CG . 19169 1 1038 . 1 1 84 84 PRO CD C 13 49.317 0.010 . 1 . . . A 84 PRO CD . 19169 1 1039 . 1 1 85 85 LEU H H 1 7.000 0.005 . 1 . . . A 85 LEU H . 19169 1 1040 . 1 1 85 85 LEU HA H 1 3.918 0.006 . 1 . . . A 85 LEU HA . 19169 1 1041 . 1 1 85 85 LEU HB2 H 1 1.572 0.006 . 2 . . . A 85 LEU HB2 . 19169 1 1042 . 1 1 85 85 LEU HB3 H 1 1.850 0.010 . 2 . . . A 85 LEU HB3 . 19169 1 1043 . 1 1 85 85 LEU HG H 1 0.985 0.008 . 1 . . . A 85 LEU HG . 19169 1 1044 . 1 1 85 85 LEU HD11 H 1 0.769 0.006 . 2 . . . A 85 LEU HD11 . 19169 1 1045 . 1 1 85 85 LEU HD12 H 1 0.769 0.006 . 2 . . . A 85 LEU HD12 . 19169 1 1046 . 1 1 85 85 LEU HD13 H 1 0.769 0.006 . 2 . . . A 85 LEU HD13 . 19169 1 1047 . 1 1 85 85 LEU HD21 H 1 0.810 0.006 . 2 . . . A 85 LEU HD21 . 19169 1 1048 . 1 1 85 85 LEU HD22 H 1 0.810 0.006 . 2 . . . A 85 LEU HD22 . 19169 1 1049 . 1 1 85 85 LEU HD23 H 1 0.810 0.006 . 2 . . . A 85 LEU HD23 . 19169 1 1050 . 1 1 85 85 LEU C C 13 177.888 0.020 . 1 . . . A 85 LEU C . 19169 1 1051 . 1 1 85 85 LEU CA C 13 58.005 0.036 . 1 . . . A 85 LEU CA . 19169 1 1052 . 1 1 85 85 LEU CB C 13 42.101 0.021 . 1 . . . A 85 LEU CB . 19169 1 1053 . 1 1 85 85 LEU CG C 13 26.756 0.020 . 1 . . . A 85 LEU CG . 19169 1 1054 . 1 1 85 85 LEU CD1 C 13 26.909 0.035 . 2 . . . A 85 LEU CD1 . 19169 1 1055 . 1 1 85 85 LEU CD2 C 13 24.456 0.025 . 2 . . . A 85 LEU CD2 . 19169 1 1056 . 1 1 85 85 LEU N N 15 120.765 0.020 . 1 . . . A 85 LEU N . 19169 1 1057 . 1 1 86 86 ALA H H 1 8.238 0.003 . 1 . . . A 86 ALA H . 19169 1 1058 . 1 1 86 86 ALA HA H 1 2.743 0.006 . 1 . . . A 86 ALA HA . 19169 1 1059 . 1 1 86 86 ALA HB1 H 1 1.421 0.005 . 1 . . . A 86 ALA HB1 . 19169 1 1060 . 1 1 86 86 ALA HB2 H 1 1.421 0.005 . 1 . . . A 86 ALA HB2 . 19169 1 1061 . 1 1 86 86 ALA HB3 H 1 1.421 0.005 . 1 . . . A 86 ALA HB3 . 19169 1 1062 . 1 1 86 86 ALA C C 13 179.728 0.007 . 1 . . . A 86 ALA C . 19169 1 1063 . 1 1 86 86 ALA CA C 13 54.774 0.017 . 1 . . . A 86 ALA CA . 19169 1 1064 . 1 1 86 86 ALA CB C 13 19.072 0.023 . 1 . . . A 86 ALA CB . 19169 1 1065 . 1 1 86 86 ALA N N 15 123.670 0.019 . 1 . . . A 86 ALA N . 19169 1 1066 . 1 1 87 87 ASP H H 1 8.823 0.003 . 1 . . . A 87 ASP H . 19169 1 1067 . 1 1 87 87 ASP HA H 1 4.279 0.009 . 1 . . . A 87 ASP HA . 19169 1 1068 . 1 1 87 87 ASP HB2 H 1 2.576 0.009 . 1 . . . A 87 ASP HB2 . 19169 1 1069 . 1 1 87 87 ASP HB3 H 1 2.576 0.009 . 1 . . . A 87 ASP HB3 . 19169 1 1070 . 1 1 87 87 ASP C C 13 180.431 0.008 . 1 . . . A 87 ASP C . 19169 1 1071 . 1 1 87 87 ASP CA C 13 56.586 0.005 . 1 . . . A 87 ASP CA . 19169 1 1072 . 1 1 87 87 ASP CB C 13 39.823 0.003 . 1 . . . A 87 ASP CB . 19169 1 1073 . 1 1 87 87 ASP N N 15 117.639 0.028 . 1 . . . A 87 ASP N . 19169 1 1074 . 1 1 88 88 GLY H H 1 8.132 0.002 . 1 . . . A 88 GLY H . 19169 1 1075 . 1 1 88 88 GLY HA2 H 1 3.816 0.003 . 1 . . . A 88 GLY HA2 . 19169 1 1076 . 1 1 88 88 GLY HA3 H 1 3.816 0.003 . 1 . . . A 88 GLY HA3 . 19169 1 1077 . 1 1 88 88 GLY C C 13 175.216 0.007 . 1 . . . A 88 GLY C . 19169 1 1078 . 1 1 88 88 GLY CA C 13 46.250 0.011 . 1 . . . A 88 GLY CA . 19169 1 1079 . 1 1 88 88 GLY N N 15 108.238 0.010 . 1 . . . A 88 GLY N . 19169 1 1080 . 1 1 89 89 ASN H H 1 7.260 0.005 . 1 . . . A 89 ASN H . 19169 1 1081 . 1 1 89 89 ASN HA H 1 4.602 0.008 . 1 . . . A 89 ASN HA . 19169 1 1082 . 1 1 89 89 ASN HB2 H 1 2.556 0.013 . 2 . . . A 89 ASN HB2 . 19169 1 1083 . 1 1 89 89 ASN HB3 H 1 1.705 0.017 . 2 . . . A 89 ASN HB3 . 19169 1 1084 . 1 1 89 89 ASN HD21 H 1 6.718 0.002 . 1 . . . A 89 ASN HD21 . 19169 1 1085 . 1 1 89 89 ASN HD22 H 1 6.952 0.004 . 1 . . . A 89 ASN HD22 . 19169 1 1086 . 1 1 89 89 ASN C C 13 175.372 0.024 . 1 . . . A 89 ASN C . 19169 1 1087 . 1 1 89 89 ASN CA C 13 53.360 0.071 . 1 . . . A 89 ASN CA . 19169 1 1088 . 1 1 89 89 ASN CB C 13 39.822 0.028 . 1 . . . A 89 ASN CB . 19169 1 1089 . 1 1 89 89 ASN CG C 13 177.510 0.013 . 1 . . . A 89 ASN CG . 19169 1 1090 . 1 1 89 89 ASN N N 15 115.573 0.029 . 1 . . . A 89 ASN N . 19169 1 1091 . 1 1 89 89 ASN ND2 N 15 112.635 0.047 . 1 . . . A 89 ASN ND2 . 19169 1 1092 . 1 1 90 90 GLY H H 1 7.633 0.002 . 1 . . . A 90 GLY H . 19169 1 1093 . 1 1 90 90 GLY HA2 H 1 3.868 0.002 . 1 . . . A 90 GLY HA2 . 19169 1 1094 . 1 1 90 90 GLY HA3 H 1 3.868 0.002 . 1 . . . A 90 GLY HA3 . 19169 1 1095 . 1 1 90 90 GLY C C 13 175.095 0.047 . 1 . . . A 90 GLY C . 19169 1 1096 . 1 1 90 90 GLY CA C 13 46.265 0.008 . 1 . . . A 90 GLY CA . 19169 1 1097 . 1 1 90 90 GLY N N 15 109.618 0.014 . 1 . . . A 90 GLY N . 19169 1 1098 . 1 1 91 91 TRP H H 1 7.836 0.005 . 1 . . . A 91 TRP H . 19169 1 1099 . 1 1 91 91 TRP HA H 1 4.209 0.007 . 1 . . . A 91 TRP HA . 19169 1 1100 . 1 1 91 91 TRP HB2 H 1 3.086 0.012 . 2 . . . A 91 TRP HB2 . 19169 1 1101 . 1 1 91 91 TRP HB3 H 1 2.423 0.012 . 2 . . . A 91 TRP HB3 . 19169 1 1102 . 1 1 91 91 TRP HD1 H 1 6.592 0.002 . 1 . . . A 91 TRP HD1 . 19169 1 1103 . 1 1 91 91 TRP HE1 H 1 9.897 0.003 . 1 . . . A 91 TRP HE1 . 19169 1 1104 . 1 1 91 91 TRP HZ2 H 1 7.155 0.004 . 1 . . . A 91 TRP HZ2 . 19169 1 1105 . 1 1 91 91 TRP HZ3 H 1 6.430 0.006 . 1 . . . A 91 TRP HZ3 . 19169 1 1106 . 1 1 91 91 TRP HH2 H 1 6.149 0.003 . 1 . . . A 91 TRP HH2 . 19169 1 1107 . 1 1 91 91 TRP C C 13 178.091 0.004 . 1 . . . A 91 TRP C . 19169 1 1108 . 1 1 91 91 TRP CA C 13 55.748 0.028 . 1 . . . A 91 TRP CA . 19169 1 1109 . 1 1 91 91 TRP CB C 13 30.235 0.007 . 1 . . . A 91 TRP CB . 19169 1 1110 . 1 1 91 91 TRP CD1 C 13 123.332 0.011 . 1 . . . A 91 TRP CD1 . 19169 1 1111 . 1 1 91 91 TRP CZ2 C 13 113.889 0.021 . 1 . . . A 91 TRP CZ2 . 19169 1 1112 . 1 1 91 91 TRP CZ3 C 13 119.971 0.102 . 1 . . . A 91 TRP CZ3 . 19169 1 1113 . 1 1 91 91 TRP CH2 C 13 124.968 0.016 . 1 . . . A 91 TRP CH2 . 19169 1 1114 . 1 1 91 91 TRP N N 15 117.678 0.055 . 1 . . . A 91 TRP N . 19169 1 1115 . 1 1 91 91 TRP NE1 N 15 126.540 0.042 . 1 . . . A 91 TRP NE1 . 19169 1 1116 . 1 1 92 92 GLU H H 1 8.669 0.003 . 1 . . . A 92 GLU H . 19169 1 1117 . 1 1 92 92 GLU HA H 1 4.563 0.011 . 1 . . . A 92 GLU HA . 19169 1 1118 . 1 1 92 92 GLU HB2 H 1 2.468 0.008 . 2 . . . A 92 GLU HB2 . 19169 1 1119 . 1 1 92 92 GLU HB3 H 1 1.752 0.007 . 2 . . . A 92 GLU HB3 . 19169 1 1120 . 1 1 92 92 GLU HG2 H 1 2.352 0.007 . 1 . . . A 92 GLU HG2 . 19169 1 1121 . 1 1 92 92 GLU HG3 H 1 2.352 0.007 . 1 . . . A 92 GLU HG3 . 19169 1 1122 . 1 1 92 92 GLU C C 13 176.086 0.018 . 1 . . . A 92 GLU C . 19169 1 1123 . 1 1 92 92 GLU CA C 13 54.856 0.045 . 1 . . . A 92 GLU CA . 19169 1 1124 . 1 1 92 92 GLU CB C 13 29.863 0.035 . 1 . . . A 92 GLU CB . 19169 1 1125 . 1 1 92 92 GLU CG C 13 35.832 0.020 . 1 . . . A 92 GLU CG . 19169 1 1126 . 1 1 92 92 GLU N N 15 120.230 0.025 . 1 . . . A 92 GLU N . 19169 1 1127 . 1 1 93 93 TYR H H 1 6.106 0.004 . 1 . . . A 93 TYR H . 19169 1 1128 . 1 1 93 93 TYR HA H 1 4.594 0.010 . 1 . . . A 93 TYR HA . 19169 1 1129 . 1 1 93 93 TYR HB2 H 1 3.194 0.007 . 2 . . . A 93 TYR HB2 . 19169 1 1130 . 1 1 93 93 TYR HB3 H 1 2.186 0.009 . 2 . . . A 93 TYR HB3 . 19169 1 1131 . 1 1 93 93 TYR HD1 H 1 6.006 0.005 . 3 . . . A 93 TYR HD1 . 19169 1 1132 . 1 1 93 93 TYR HD2 H 1 6.006 0.005 . 3 . . . A 93 TYR HD2 . 19169 1 1133 . 1 1 93 93 TYR HE1 H 1 4.967 0.007 . 3 . . . A 93 TYR HE1 . 19169 1 1134 . 1 1 93 93 TYR HE2 H 1 4.967 0.007 . 3 . . . A 93 TYR HE2 . 19169 1 1135 . 1 1 93 93 TYR C C 13 175.068 0.008 . 1 . . . A 93 TYR C . 19169 1 1136 . 1 1 93 93 TYR CA C 13 53.914 0.032 . 1 . . . A 93 TYR CA . 19169 1 1137 . 1 1 93 93 TYR CB C 13 38.532 0.012 . 1 . . . A 93 TYR CB . 19169 1 1138 . 1 1 93 93 TYR CD1 C 13 132.532 0.019 . 3 . . . A 93 TYR CD1 . 19169 1 1139 . 1 1 93 93 TYR CD2 C 13 132.532 0.019 . 3 . . . A 93 TYR CD2 . 19169 1 1140 . 1 1 93 93 TYR CE1 C 13 116.908 0.041 . 3 . . . A 93 TYR CE1 . 19169 1 1141 . 1 1 93 93 TYR CE2 C 13 116.908 0.041 . 3 . . . A 93 TYR CE2 . 19169 1 1142 . 1 1 93 93 TYR N N 15 118.809 0.023 . 1 . . . A 93 TYR N . 19169 1 1143 . 1 1 94 94 GLU H H 1 7.786 0.004 . 1 . . . A 94 GLU H . 19169 1 1144 . 1 1 94 94 GLU HA H 1 4.679 0.009 . 1 . . . A 94 GLU HA . 19169 1 1145 . 1 1 94 94 GLU HB2 H 1 1.968 0.010 . 2 . . . A 94 GLU HB2 . 19169 1 1146 . 1 1 94 94 GLU HB3 H 1 2.131 0.001 . 2 . . . A 94 GLU HB3 . 19169 1 1147 . 1 1 94 94 GLU HG2 H 1 2.295 0.022 . 2 . . . A 94 GLU HG2 . 19169 1 1148 . 1 1 94 94 GLU HG3 H 1 2.128 0.005 . 2 . . . A 94 GLU HG3 . 19169 1 1149 . 1 1 94 94 GLU C C 13 175.143 0.025 . 1 . . . A 94 GLU C . 19169 1 1150 . 1 1 94 94 GLU CA C 13 56.550 0.022 . 1 . . . A 94 GLU CA . 19169 1 1151 . 1 1 94 94 GLU CB C 13 30.023 0.091 . 1 . . . A 94 GLU CB . 19169 1 1152 . 1 1 94 94 GLU CG C 13 35.273 0.027 . 1 . . . A 94 GLU CG . 19169 1 1153 . 1 1 94 94 GLU N N 15 124.019 0.035 . 1 . . . A 94 GLU N . 19169 1 1154 . 1 1 95 95 VAL H H 1 8.851 0.003 . 1 . . . A 95 VAL H . 19169 1 1155 . 1 1 95 95 VAL HA H 1 5.525 0.006 . 1 . . . A 95 VAL HA . 19169 1 1156 . 1 1 95 95 VAL HB H 1 2.142 0.004 . 1 . . . A 95 VAL HB . 19169 1 1157 . 1 1 95 95 VAL HG11 H 1 1.111 0.006 . 2 . . . A 95 VAL HG11 . 19169 1 1158 . 1 1 95 95 VAL HG12 H 1 1.111 0.006 . 2 . . . A 95 VAL HG12 . 19169 1 1159 . 1 1 95 95 VAL HG13 H 1 1.111 0.006 . 2 . . . A 95 VAL HG13 . 19169 1 1160 . 1 1 95 95 VAL HG21 H 1 1.205 0.004 . 2 . . . A 95 VAL HG21 . 19169 1 1161 . 1 1 95 95 VAL HG22 H 1 1.205 0.004 . 2 . . . A 95 VAL HG22 . 19169 1 1162 . 1 1 95 95 VAL HG23 H 1 1.205 0.004 . 2 . . . A 95 VAL HG23 . 19169 1 1163 . 1 1 95 95 VAL C C 13 175.119 0.006 . 1 . . . A 95 VAL C . 19169 1 1164 . 1 1 95 95 VAL CA C 13 60.741 0.018 . 1 . . . A 95 VAL CA . 19169 1 1165 . 1 1 95 95 VAL CB C 13 32.775 0.004 . 1 . . . A 95 VAL CB . 19169 1 1166 . 1 1 95 95 VAL CG1 C 13 22.091 0.070 . 2 . . . A 95 VAL CG1 . 19169 1 1167 . 1 1 95 95 VAL CG2 C 13 21.720 0.018 . 2 . . . A 95 VAL CG2 . 19169 1 1168 . 1 1 95 95 VAL N N 15 128.400 0.029 . 1 . . . A 95 VAL N . 19169 1 1169 . 1 1 96 96 LEU H H 1 9.114 0.004 . 1 . . . A 96 LEU H . 19169 1 1170 . 1 1 96 96 LEU HA H 1 4.937 0.010 . 1 . . . A 96 LEU HA . 19169 1 1171 . 1 1 96 96 LEU HB2 H 1 1.297 0.005 . 2 . . . A 96 LEU HB2 . 19169 1 1172 . 1 1 96 96 LEU HB3 H 1 1.672 0.006 . 2 . . . A 96 LEU HB3 . 19169 1 1173 . 1 1 96 96 LEU HD11 H 1 0.771 0.007 . 2 . . . A 96 LEU HD11 . 19169 1 1174 . 1 1 96 96 LEU HD12 H 1 0.771 0.007 . 2 . . . A 96 LEU HD12 . 19169 1 1175 . 1 1 96 96 LEU HD13 H 1 0.771 0.007 . 2 . . . A 96 LEU HD13 . 19169 1 1176 . 1 1 96 96 LEU HD21 H 1 0.617 0.007 . 2 . . . A 96 LEU HD21 . 19169 1 1177 . 1 1 96 96 LEU HD22 H 1 0.617 0.007 . 2 . . . A 96 LEU HD22 . 19169 1 1178 . 1 1 96 96 LEU HD23 H 1 0.617 0.007 . 2 . . . A 96 LEU HD23 . 19169 1 1179 . 1 1 96 96 LEU C C 13 175.463 0.029 . 1 . . . A 96 LEU C . 19169 1 1180 . 1 1 96 96 LEU CA C 13 52.474 0.030 . 1 . . . A 96 LEU CA . 19169 1 1181 . 1 1 96 96 LEU CB C 13 44.256 0.070 . 1 . . . A 96 LEU CB . 19169 1 1182 . 1 1 96 96 LEU CD1 C 13 23.196 0.051 . 2 . . . A 96 LEU CD1 . 19169 1 1183 . 1 1 96 96 LEU CD2 C 13 25.400 0.008 . 2 . . . A 96 LEU CD2 . 19169 1 1184 . 1 1 96 96 LEU N N 15 123.598 0.025 . 1 . . . A 96 LEU N . 19169 1 1185 . 1 1 97 97 LEU H H 1 8.909 0.003 . 1 . . . A 97 LEU H . 19169 1 1186 . 1 1 97 97 LEU HA H 1 4.648 0.009 . 1 . . . A 97 LEU HA . 19169 1 1187 . 1 1 97 97 LEU HB2 H 1 1.988 0.012 . 2 . . . A 97 LEU HB2 . 19169 1 1188 . 1 1 97 97 LEU HB3 H 1 1.504 0.004 . 2 . . . A 97 LEU HB3 . 19169 1 1189 . 1 1 97 97 LEU HD11 H 1 0.918 0.007 . 2 . . . A 97 LEU HD11 . 19169 1 1190 . 1 1 97 97 LEU HD12 H 1 0.918 0.007 . 2 . . . A 97 LEU HD12 . 19169 1 1191 . 1 1 97 97 LEU HD13 H 1 0.918 0.007 . 2 . . . A 97 LEU HD13 . 19169 1 1192 . 1 1 97 97 LEU HD21 H 1 0.902 0.008 . 2 . . . A 97 LEU HD21 . 19169 1 1193 . 1 1 97 97 LEU HD22 H 1 0.902 0.008 . 2 . . . A 97 LEU HD22 . 19169 1 1194 . 1 1 97 97 LEU HD23 H 1 0.902 0.008 . 2 . . . A 97 LEU HD23 . 19169 1 1195 . 1 1 97 97 LEU C C 13 175.441 0.004 . 1 . . . A 97 LEU C . 19169 1 1196 . 1 1 97 97 LEU CA C 13 53.821 0.031 . 1 . . . A 97 LEU CA . 19169 1 1197 . 1 1 97 97 LEU CB C 13 41.005 0.015 . 1 . . . A 97 LEU CB . 19169 1 1198 . 1 1 97 97 LEU CD1 C 13 23.475 0.023 . 2 . . . A 97 LEU CD1 . 19169 1 1199 . 1 1 97 97 LEU CD2 C 13 25.840 0.014 . 2 . . . A 97 LEU CD2 . 19169 1 1200 . 1 1 97 97 LEU N N 15 121.684 0.023 . 1 . . . A 97 LEU N . 19169 1 1201 . 1 1 98 98 ASP H H 1 9.108 0.004 . 1 . . . A 98 ASP H . 19169 1 1202 . 1 1 98 98 ASP HA H 1 5.379 0.006 . 1 . . . A 98 ASP HA . 19169 1 1203 . 1 1 98 98 ASP HB2 H 1 2.002 0.011 . 2 . . . A 98 ASP HB2 . 19169 1 1204 . 1 1 98 98 ASP HB3 H 1 3.163 0.009 . 2 . . . A 98 ASP HB3 . 19169 1 1205 . 1 1 98 98 ASP C C 13 179.146 0.008 . 1 . . . A 98 ASP C . 19169 1 1206 . 1 1 98 98 ASP CA C 13 52.501 0.021 . 1 . . . A 98 ASP CA . 19169 1 1207 . 1 1 98 98 ASP CB C 13 41.467 0.059 . 1 . . . A 98 ASP CB . 19169 1 1208 . 1 1 98 98 ASP N N 15 129.551 0.029 . 1 . . . A 98 ASP N . 19169 1 1209 . 1 1 99 99 SER H H 1 7.583 0.003 . 1 . . . A 99 SER H . 19169 1 1210 . 1 1 99 99 SER HA H 1 4.478 0.012 . 1 . . . A 99 SER HA . 19169 1 1211 . 1 1 99 99 SER HB2 H 1 3.936 0.009 . 1 . . . A 99 SER HB2 . 19169 1 1212 . 1 1 99 99 SER HB3 H 1 3.936 0.009 . 1 . . . A 99 SER HB3 . 19169 1 1213 . 1 1 99 99 SER C C 13 174.906 0.007 . 1 . . . A 99 SER C . 19169 1 1214 . 1 1 99 99 SER CA C 13 60.337 0.017 . 1 . . . A 99 SER CA . 19169 1 1215 . 1 1 99 99 SER CB C 13 63.159 0.032 . 1 . . . A 99 SER CB . 19169 1 1216 . 1 1 99 99 SER N N 15 113.854 0.034 . 1 . . . A 99 SER N . 19169 1 1217 . 1 1 100 100 ASN H H 1 8.931 0.003 . 1 . . . A 100 ASN H . 19169 1 1218 . 1 1 100 100 ASN HA H 1 5.128 0.004 . 1 . . . A 100 ASN HA . 19169 1 1219 . 1 1 100 100 ASN HB2 H 1 2.985 0.003 . 2 . . . A 100 ASN HB2 . 19169 1 1220 . 1 1 100 100 ASN HB3 H 1 2.663 0.005 . 2 . . . A 100 ASN HB3 . 19169 1 1221 . 1 1 100 100 ASN HD21 H 1 7.951 0.002 . 1 . . . A 100 ASN HD21 . 19169 1 1222 . 1 1 100 100 ASN HD22 H 1 6.892 0.003 . 1 . . . A 100 ASN HD22 . 19169 1 1223 . 1 1 100 100 ASN C C 13 176.301 0.007 . 1 . . . A 100 ASN C . 19169 1 1224 . 1 1 100 100 ASN CA C 13 52.293 0.006 . 1 . . . A 100 ASN CA . 19169 1 1225 . 1 1 100 100 ASN CB C 13 40.019 0.011 . 1 . . . A 100 ASN CB . 19169 1 1226 . 1 1 100 100 ASN CG C 13 177.759 0.021 . 1 . . . A 100 ASN CG . 19169 1 1227 . 1 1 100 100 ASN N N 15 117.706 0.030 . 1 . . . A 100 ASN N . 19169 1 1228 . 1 1 100 100 ASN ND2 N 15 114.286 0.035 . 1 . . . A 100 ASN ND2 . 19169 1 1229 . 1 1 101 101 GLY H H 1 7.809 0.004 . 1 . . . A 101 GLY H . 19169 1 1230 . 1 1 101 101 GLY HA2 H 1 3.992 0.008 . 1 . . . A 101 GLY HA2 . 19169 1 1231 . 1 1 101 101 GLY HA3 H 1 3.992 0.008 . 1 . . . A 101 GLY HA3 . 19169 1 1232 . 1 1 101 101 GLY C C 13 173.961 0.011 . 1 . . . A 101 GLY C . 19169 1 1233 . 1 1 101 101 GLY CA C 13 46.247 0.007 . 1 . . . A 101 GLY CA . 19169 1 1234 . 1 1 101 101 GLY N N 15 109.370 0.027 . 1 . . . A 101 GLY N . 19169 1 1235 . 1 1 102 102 ASP H H 1 7.857 0.010 . 1 . . . A 102 ASP H . 19169 1 1236 . 1 1 102 102 ASP HA H 1 4.358 0.010 . 1 . . . A 102 ASP HA . 19169 1 1237 . 1 1 102 102 ASP HB2 H 1 2.714 0.008 . 2 . . . A 102 ASP HB2 . 19169 1 1238 . 1 1 102 102 ASP HB3 H 1 2.576 0.005 . 2 . . . A 102 ASP HB3 . 19169 1 1239 . 1 1 102 102 ASP C C 13 179.226 0.021 . 1 . . . A 102 ASP C . 19169 1 1240 . 1 1 102 102 ASP CA C 13 57.949 0.027 . 1 . . . A 102 ASP CA . 19169 1 1241 . 1 1 102 102 ASP CB C 13 41.956 0.070 . 1 . . . A 102 ASP CB . 19169 1 1242 . 1 1 102 102 ASP N N 15 120.408 0.061 . 1 . . . A 102 ASP N . 19169 1 1243 . 1 1 103 103 PHE H H 1 11.633 0.002 . 1 . . . A 103 PHE H . 19169 1 1244 . 1 1 103 103 PHE HA H 1 4.740 0.008 . 1 . . . A 103 PHE HA . 19169 1 1245 . 1 1 103 103 PHE HB2 H 1 3.061 0.007 . 2 . . . A 103 PHE HB2 . 19169 1 1246 . 1 1 103 103 PHE HB3 H 1 3.212 0.010 . 2 . . . A 103 PHE HB3 . 19169 1 1247 . 1 1 103 103 PHE HD1 H 1 7.130 0.010 . 3 . . . A 103 PHE HD1 . 19169 1 1248 . 1 1 103 103 PHE HD2 H 1 7.130 0.010 . 3 . . . A 103 PHE HD2 . 19169 1 1249 . 1 1 103 103 PHE HE1 H 1 7.029 0.006 . 3 . . . A 103 PHE HE1 . 19169 1 1250 . 1 1 103 103 PHE HE2 H 1 7.029 0.006 . 3 . . . A 103 PHE HE2 . 19169 1 1251 . 1 1 103 103 PHE HZ H 1 6.990 0.007 . 1 . . . A 103 PHE HZ . 19169 1 1252 . 1 1 103 103 PHE C C 13 177.159 0.003 . 1 . . . A 103 PHE C . 19169 1 1253 . 1 1 103 103 PHE CA C 13 58.179 0.048 . 1 . . . A 103 PHE CA . 19169 1 1254 . 1 1 103 103 PHE CB C 13 38.377 0.004 . 1 . . . A 103 PHE CB . 19169 1 1255 . 1 1 103 103 PHE CD1 C 13 131.155 0.056 . 3 . . . A 103 PHE CD1 . 19169 1 1256 . 1 1 103 103 PHE CD2 C 13 131.155 0.056 . 3 . . . A 103 PHE CD2 . 19169 1 1257 . 1 1 103 103 PHE CE1 C 13 130.794 0.077 . 3 . . . A 103 PHE CE1 . 19169 1 1258 . 1 1 103 103 PHE CE2 C 13 130.794 0.077 . 3 . . . A 103 PHE CE2 . 19169 1 1259 . 1 1 103 103 PHE CZ C 13 128.250 0.019 . 1 . . . A 103 PHE CZ . 19169 1 1260 . 1 1 103 103 PHE N N 15 128.310 0.019 . 1 . . . A 103 PHE N . 19169 1 1261 . 1 1 104 104 LYS H H 1 10.708 0.004 . 1 . . . A 104 LYS H . 19169 1 1262 . 1 1 104 104 LYS HA H 1 3.236 0.005 . 1 . . . A 104 LYS HA . 19169 1 1263 . 1 1 104 104 LYS HB2 H 1 1.981 0.006 . 2 . . . A 104 LYS HB2 . 19169 1 1264 . 1 1 104 104 LYS HB3 H 1 1.871 0.006 . 2 . . . A 104 LYS HB3 . 19169 1 1265 . 1 1 104 104 LYS C C 13 178.501 0.014 . 1 . . . A 104 LYS C . 19169 1 1266 . 1 1 104 104 LYS CA C 13 59.627 0.051 . 1 . . . A 104 LYS CA . 19169 1 1267 . 1 1 104 104 LYS CB C 13 31.783 0.009 . 1 . . . A 104 LYS CB . 19169 1 1268 . 1 1 104 104 LYS N N 15 124.680 0.020 . 1 . . . A 104 LYS N . 19169 1 1269 . 1 1 105 105 ARG H H 1 8.234 0.003 . 1 . . . A 105 ARG H . 19169 1 1270 . 1 1 105 105 ARG HA H 1 4.161 0.007 . 1 . . . A 105 ARG HA . 19169 1 1271 . 1 1 105 105 ARG HB2 H 1 1.965 0.007 . 2 . . . A 105 ARG HB2 . 19169 1 1272 . 1 1 105 105 ARG HB3 H 1 1.781 0.009 . 2 . . . A 105 ARG HB3 . 19169 1 1273 . 1 1 105 105 ARG HG2 H 1 1.533 0.006 . 2 . . . A 105 ARG HG2 . 19169 1 1274 . 1 1 105 105 ARG HG3 H 1 1.945 0.013 . 2 . . . A 105 ARG HG3 . 19169 1 1275 . 1 1 105 105 ARG HD2 H 1 3.177 0.003 . 2 . . . A 105 ARG HD2 . 19169 1 1276 . 1 1 105 105 ARG HD3 H 1 3.390 0.005 . 2 . . . A 105 ARG HD3 . 19169 1 1277 . 1 1 105 105 ARG HE H 1 7.453 0.003 . 1 . . . A 105 ARG HE . 19169 1 1278 . 1 1 105 105 ARG C C 13 180.709 0.002 . 1 . . . A 105 ARG C . 19169 1 1279 . 1 1 105 105 ARG CA C 13 59.540 0.047 . 1 . . . A 105 ARG CA . 19169 1 1280 . 1 1 105 105 ARG CB C 13 30.477 0.124 . 1 . . . A 105 ARG CB . 19169 1 1281 . 1 1 105 105 ARG CG C 13 28.890 0.110 . 1 . . . A 105 ARG CG . 19169 1 1282 . 1 1 105 105 ARG CD C 13 43.116 0.010 . 1 . . . A 105 ARG CD . 19169 1 1283 . 1 1 105 105 ARG CZ C 13 159.589 0.020 . 1 . . . A 105 ARG CZ . 19169 1 1284 . 1 1 105 105 ARG N N 15 117.225 0.024 . 1 . . . A 105 ARG N . 19169 1 1285 . 1 1 105 105 ARG NE N 15 83.161 0.074 . 1 . . . A 105 ARG NE . 19169 1 1286 . 1 1 106 106 ALA H H 1 7.784 0.004 . 1 . . . A 106 ALA H . 19169 1 1287 . 1 1 106 106 ALA HA H 1 4.147 0.004 . 1 . . . A 106 ALA HA . 19169 1 1288 . 1 1 106 106 ALA HB1 H 1 1.523 0.007 . 1 . . . A 106 ALA HB1 . 19169 1 1289 . 1 1 106 106 ALA HB2 H 1 1.523 0.007 . 1 . . . A 106 ALA HB2 . 19169 1 1290 . 1 1 106 106 ALA HB3 H 1 1.523 0.007 . 1 . . . A 106 ALA HB3 . 19169 1 1291 . 1 1 106 106 ALA C C 13 178.968 0.009 . 1 . . . A 106 ALA C . 19169 1 1292 . 1 1 106 106 ALA CA C 13 54.594 0.036 . 1 . . . A 106 ALA CA . 19169 1 1293 . 1 1 106 106 ALA CB C 13 18.287 0.024 . 1 . . . A 106 ALA CB . 19169 1 1294 . 1 1 106 106 ALA N N 15 123.074 0.028 . 1 . . . A 106 ALA N . 19169 1 1295 . 1 1 107 107 MET H H 1 7.611 0.004 . 1 . . . A 107 MET H . 19169 1 1296 . 1 1 107 107 MET HA H 1 4.282 0.006 . 1 . . . A 107 MET HA . 19169 1 1297 . 1 1 107 107 MET HB2 H 1 1.548 0.012 . 1 . . . A 107 MET HB2 . 19169 1 1298 . 1 1 107 107 MET HB3 H 1 1.548 0.012 . 1 . . . A 107 MET HB3 . 19169 1 1299 . 1 1 107 107 MET HG2 H 1 1.804 0.012 . 2 . . . A 107 MET HG2 . 19169 1 1300 . 1 1 107 107 MET HG3 H 1 1.281 0.013 . 2 . . . A 107 MET HG3 . 19169 1 1301 . 1 1 107 107 MET HE1 H 1 0.770 0.006 . 1 . . . A 107 MET HE1 . 19169 1 1302 . 1 1 107 107 MET HE2 H 1 0.770 0.006 . 1 . . . A 107 MET HE2 . 19169 1 1303 . 1 1 107 107 MET HE3 H 1 0.770 0.006 . 1 . . . A 107 MET HE3 . 19169 1 1304 . 1 1 107 107 MET C C 13 174.904 0.010 . 1 . . . A 107 MET C . 19169 1 1305 . 1 1 107 107 MET CA C 13 53.563 0.024 . 1 . . . A 107 MET CA . 19169 1 1306 . 1 1 107 107 MET CB C 13 31.370 0.002 . 1 . . . A 107 MET CB . 19169 1 1307 . 1 1 107 107 MET CG C 13 33.662 0.009 . 1 . . . A 107 MET CG . 19169 1 1308 . 1 1 107 107 MET CE C 13 15.008 0.040 . 1 . . . A 107 MET CE . 19169 1 1309 . 1 1 107 107 MET N N 15 113.426 0.052 . 1 . . . A 107 MET N . 19169 1 1310 . 1 1 108 108 ASN H H 1 7.859 0.004 . 1 . . . A 108 ASN H . 19169 1 1311 . 1 1 108 108 ASN HA H 1 4.214 0.004 . 1 . . . A 108 ASN HA . 19169 1 1312 . 1 1 108 108 ASN HB2 H 1 3.074 0.004 . 2 . . . A 108 ASN HB2 . 19169 1 1313 . 1 1 108 108 ASN HB3 H 1 2.609 0.007 . 2 . . . A 108 ASN HB3 . 19169 1 1314 . 1 1 108 108 ASN HD21 H 1 6.738 0.003 . 1 . . . A 108 ASN HD21 . 19169 1 1315 . 1 1 108 108 ASN HD22 H 1 7.425 0.003 . 1 . . . A 108 ASN HD22 . 19169 1 1316 . 1 1 108 108 ASN C C 13 174.393 0.010 . 1 . . . A 108 ASN C . 19169 1 1317 . 1 1 108 108 ASN CA C 13 53.938 0.017 . 1 . . . A 108 ASN CA . 19169 1 1318 . 1 1 108 108 ASN CB C 13 37.254 0.019 . 1 . . . A 108 ASN CB . 19169 1 1319 . 1 1 108 108 ASN CG C 13 178.292 0.008 . 1 . . . A 108 ASN CG . 19169 1 1320 . 1 1 108 108 ASN N N 15 117.106 0.045 . 1 . . . A 108 ASN N . 19169 1 1321 . 1 1 108 108 ASN ND2 N 15 112.085 0.011 . 1 . . . A 108 ASN ND2 . 19169 1 1322 . 1 1 109 109 VAL H H 1 8.007 0.004 . 1 . . . A 109 VAL H . 19169 1 1323 . 1 1 109 109 VAL HA H 1 3.726 0.007 . 1 . . . A 109 VAL HA . 19169 1 1324 . 1 1 109 109 VAL HB H 1 1.322 0.009 . 1 . . . A 109 VAL HB . 19169 1 1325 . 1 1 109 109 VAL HG11 H 1 0.043 0.004 . 2 . . . A 109 VAL HG11 . 19169 1 1326 . 1 1 109 109 VAL HG12 H 1 0.043 0.004 . 2 . . . A 109 VAL HG12 . 19169 1 1327 . 1 1 109 109 VAL HG13 H 1 0.043 0.004 . 2 . . . A 109 VAL HG13 . 19169 1 1328 . 1 1 109 109 VAL HG21 H 1 0.315 0.005 . 2 . . . A 109 VAL HG21 . 19169 1 1329 . 1 1 109 109 VAL HG22 H 1 0.315 0.005 . 2 . . . A 109 VAL HG22 . 19169 1 1330 . 1 1 109 109 VAL HG23 H 1 0.315 0.005 . 2 . . . A 109 VAL HG23 . 19169 1 1331 . 1 1 109 109 VAL C C 13 175.377 0.020 . 1 . . . A 109 VAL C . 19169 1 1332 . 1 1 109 109 VAL CA C 13 62.727 0.019 . 1 . . . A 109 VAL CA . 19169 1 1333 . 1 1 109 109 VAL CB C 13 31.792 0.044 . 1 . . . A 109 VAL CB . 19169 1 1334 . 1 1 109 109 VAL CG1 C 13 21.535 0.017 . 2 . . . A 109 VAL CG1 . 19169 1 1335 . 1 1 109 109 VAL CG2 C 13 20.590 0.006 . 2 . . . A 109 VAL CG2 . 19169 1 1336 . 1 1 109 109 VAL N N 15 119.651 0.033 . 1 . . . A 109 VAL N . 19169 1 1337 . 1 1 110 110 SER H H 1 8.951 0.002 . 1 . . . A 110 SER H . 19169 1 1338 . 1 1 110 110 SER HA H 1 4.316 0.012 . 1 . . . A 110 SER HA . 19169 1 1339 . 1 1 110 110 SER HB2 H 1 3.752 0.005 . 2 . . . A 110 SER HB2 . 19169 1 1340 . 1 1 110 110 SER HB3 H 1 3.683 0.005 . 2 . . . A 110 SER HB3 . 19169 1 1341 . 1 1 110 110 SER C C 13 173.382 0.011 . 1 . . . A 110 SER C . 19169 1 1342 . 1 1 110 110 SER CA C 13 57.741 0.017 . 1 . . . A 110 SER CA . 19169 1 1343 . 1 1 110 110 SER CB C 13 63.635 0.013 . 1 . . . A 110 SER CB . 19169 1 1344 . 1 1 110 110 SER N N 15 122.808 0.017 . 1 . . . A 110 SER N . 19169 1 1345 . 1 1 111 111 LEU H H 1 7.685 0.002 . 1 . . . A 111 LEU H . 19169 1 1346 . 1 1 111 111 LEU HA H 1 4.345 0.004 . 1 . . . A 111 LEU HA . 19169 1 1347 . 1 1 111 111 LEU HB2 H 1 1.437 0.004 . 2 . . . A 111 LEU HB2 . 19169 1 1348 . 1 1 111 111 LEU HB3 H 1 1.528 0.008 . 2 . . . A 111 LEU HB3 . 19169 1 1349 . 1 1 111 111 LEU HG H 1 1.541 0.005 . 1 . . . A 111 LEU HG . 19169 1 1350 . 1 1 111 111 LEU HD11 H 1 0.900 0.005 . 2 . . . A 111 LEU HD11 . 19169 1 1351 . 1 1 111 111 LEU HD12 H 1 0.900 0.005 . 2 . . . A 111 LEU HD12 . 19169 1 1352 . 1 1 111 111 LEU HD13 H 1 0.900 0.005 . 2 . . . A 111 LEU HD13 . 19169 1 1353 . 1 1 111 111 LEU HD21 H 1 0.827 0.006 . 2 . . . A 111 LEU HD21 . 19169 1 1354 . 1 1 111 111 LEU HD22 H 1 0.827 0.006 . 2 . . . A 111 LEU HD22 . 19169 1 1355 . 1 1 111 111 LEU HD23 H 1 0.827 0.006 . 2 . . . A 111 LEU HD23 . 19169 1 1356 . 1 1 111 111 LEU C C 13 175.207 0.001 . 1 . . . A 111 LEU C . 19169 1 1357 . 1 1 111 111 LEU CA C 13 55.023 0.005 . 1 . . . A 111 LEU CA . 19169 1 1358 . 1 1 111 111 LEU CB C 13 43.342 0.028 . 1 . . . A 111 LEU CB . 19169 1 1359 . 1 1 111 111 LEU CG C 13 27.135 0.033 . 1 . . . A 111 LEU CG . 19169 1 1360 . 1 1 111 111 LEU CD1 C 13 24.833 0.024 . 2 . . . A 111 LEU CD1 . 19169 1 1361 . 1 1 111 111 LEU CD2 C 13 24.014 0.061 . 2 . . . A 111 LEU CD2 . 19169 1 1362 . 1 1 111 111 LEU N N 15 123.879 0.017 . 1 . . . A 111 LEU N . 19169 1 1363 . 1 1 112 112 ILE H H 1 7.612 0.003 . 1 . . . A 112 ILE H . 19169 1 1364 . 1 1 112 112 ILE HA H 1 4.614 0.009 . 1 . . . A 112 ILE HA . 19169 1 1365 . 1 1 112 112 ILE HB H 1 1.690 0.010 . 1 . . . A 112 ILE HB . 19169 1 1366 . 1 1 112 112 ILE HG21 H 1 0.749 0.006 . 1 . . . A 112 ILE HG21 . 19169 1 1367 . 1 1 112 112 ILE HG22 H 1 0.749 0.006 . 1 . . . A 112 ILE HG22 . 19169 1 1368 . 1 1 112 112 ILE HG23 H 1 0.749 0.006 . 1 . . . A 112 ILE HG23 . 19169 1 1369 . 1 1 112 112 ILE HD11 H 1 0.897 0.003 . 1 . . . A 112 ILE HD11 . 19169 1 1370 . 1 1 112 112 ILE HD12 H 1 0.897 0.003 . 1 . . . A 112 ILE HD12 . 19169 1 1371 . 1 1 112 112 ILE HD13 H 1 0.897 0.003 . 1 . . . A 112 ILE HD13 . 19169 1 1372 . 1 1 112 112 ILE C C 13 173.913 0.020 . 1 . . . A 112 ILE C . 19169 1 1373 . 1 1 112 112 ILE CA C 13 57.945 0.013 . 1 . . . A 112 ILE CA . 19169 1 1374 . 1 1 112 112 ILE CB C 13 39.832 0.002 . 1 . . . A 112 ILE CB . 19169 1 1375 . 1 1 112 112 ILE CG2 C 13 19.308 0.037 . 1 . . . A 112 ILE CG2 . 19169 1 1376 . 1 1 112 112 ILE CD1 C 13 16.012 0.020 . 1 . . . A 112 ILE CD1 . 19169 1 1377 . 1 1 112 112 ILE N N 15 112.832 0.044 . 1 . . . A 112 ILE N . 19169 1 1378 . 1 1 113 113 PRO HA H 1 4.619 0.008 . 1 . . . A 113 PRO HA . 19169 1 1379 . 1 1 113 113 PRO HB2 H 1 2.778 0.001 . 2 . . . A 113 PRO HB2 . 19169 1 1380 . 1 1 113 113 PRO HB3 H 1 2.059 0.010 . 2 . . . A 113 PRO HB3 . 19169 1 1381 . 1 1 113 113 PRO HG2 H 1 1.997 0.004 . 2 . . . A 113 PRO HG2 . 19169 1 1382 . 1 1 113 113 PRO HG3 H 1 1.821 0.006 . 2 . . . A 113 PRO HG3 . 19169 1 1383 . 1 1 113 113 PRO HD2 H 1 3.622 0.004 . 2 . . . A 113 PRO HD2 . 19169 1 1384 . 1 1 113 113 PRO HD3 H 1 3.674 0.009 . 2 . . . A 113 PRO HD3 . 19169 1 1385 . 1 1 113 113 PRO C C 13 174.724 0.020 . 1 . . . A 113 PRO C . 19169 1 1386 . 1 1 113 113 PRO CA C 13 62.974 0.001 . 1 . . . A 113 PRO CA . 19169 1 1387 . 1 1 113 113 PRO CB C 13 35.464 0.006 . 1 . . . A 113 PRO CB . 19169 1 1388 . 1 1 113 113 PRO CG C 13 25.372 0.014 . 1 . . . A 113 PRO CG . 19169 1 1389 . 1 1 113 113 PRO CD C 13 51.316 0.062 . 1 . . . A 113 PRO CD . 19169 1 1390 . 1 1 114 114 ALA H H 1 7.632 0.004 . 1 . . . A 114 ALA H . 19169 1 1391 . 1 1 114 114 ALA HA H 1 5.169 0.009 . 1 . . . A 114 ALA HA . 19169 1 1392 . 1 1 114 114 ALA HB1 H 1 1.583 0.007 . 1 . . . A 114 ALA HB1 . 19169 1 1393 . 1 1 114 114 ALA HB2 H 1 1.583 0.007 . 1 . . . A 114 ALA HB2 . 19169 1 1394 . 1 1 114 114 ALA HB3 H 1 1.583 0.007 . 1 . . . A 114 ALA HB3 . 19169 1 1395 . 1 1 114 114 ALA C C 13 175.133 0.013 . 1 . . . A 114 ALA C . 19169 1 1396 . 1 1 114 114 ALA CA C 13 51.816 0.028 . 1 . . . A 114 ALA CA . 19169 1 1397 . 1 1 114 114 ALA CB C 13 22.527 0.036 . 1 . . . A 114 ALA CB . 19169 1 1398 . 1 1 114 114 ALA N N 15 126.123 0.036 . 1 . . . A 114 ALA N . 19169 1 1399 . 1 1 115 115 VAL H H 1 8.621 0.003 . 1 . . . A 115 VAL H . 19169 1 1400 . 1 1 115 115 VAL HA H 1 5.587 0.010 . 1 . . . A 115 VAL HA . 19169 1 1401 . 1 1 115 115 VAL HB H 1 2.035 0.005 . 1 . . . A 115 VAL HB . 19169 1 1402 . 1 1 115 115 VAL HG11 H 1 1.028 0.009 . 2 . . . A 115 VAL HG11 . 19169 1 1403 . 1 1 115 115 VAL HG12 H 1 1.028 0.009 . 2 . . . A 115 VAL HG12 . 19169 1 1404 . 1 1 115 115 VAL HG13 H 1 1.028 0.009 . 2 . . . A 115 VAL HG13 . 19169 1 1405 . 1 1 115 115 VAL HG21 H 1 1.062 0.008 . 2 . . . A 115 VAL HG21 . 19169 1 1406 . 1 1 115 115 VAL HG22 H 1 1.062 0.008 . 2 . . . A 115 VAL HG22 . 19169 1 1407 . 1 1 115 115 VAL HG23 H 1 1.062 0.008 . 2 . . . A 115 VAL HG23 . 19169 1 1408 . 1 1 115 115 VAL C C 13 173.506 0.004 . 1 . . . A 115 VAL C . 19169 1 1409 . 1 1 115 115 VAL CA C 13 60.027 0.028 . 1 . . . A 115 VAL CA . 19169 1 1410 . 1 1 115 115 VAL CB C 13 35.572 0.041 . 1 . . . A 115 VAL CB . 19169 1 1411 . 1 1 115 115 VAL CG1 C 13 22.353 0.037 . 2 . . . A 115 VAL CG1 . 19169 1 1412 . 1 1 115 115 VAL CG2 C 13 21.837 0.035 . 2 . . . A 115 VAL CG2 . 19169 1 1413 . 1 1 115 115 VAL N N 15 121.347 0.027 . 1 . . . A 115 VAL N . 19169 1 1414 . 1 1 116 116 PHE H H 1 9.366 0.004 . 1 . . . A 116 PHE H . 19169 1 1415 . 1 1 116 116 PHE HA H 1 5.625 0.007 . 1 . . . A 116 PHE HA . 19169 1 1416 . 1 1 116 116 PHE HB2 H 1 3.022 0.006 . 2 . . . A 116 PHE HB2 . 19169 1 1417 . 1 1 116 116 PHE HB3 H 1 2.806 0.004 . 2 . . . A 116 PHE HB3 . 19169 1 1418 . 1 1 116 116 PHE HD1 H 1 7.280 0.009 . 3 . . . A 116 PHE HD1 . 19169 1 1419 . 1 1 116 116 PHE HD2 H 1 7.280 0.009 . 3 . . . A 116 PHE HD2 . 19169 1 1420 . 1 1 116 116 PHE HE1 H 1 7.147 0.008 . 3 . . . A 116 PHE HE1 . 19169 1 1421 . 1 1 116 116 PHE HE2 H 1 7.147 0.008 . 3 . . . A 116 PHE HE2 . 19169 1 1422 . 1 1 116 116 PHE C C 13 175.842 0.006 . 1 . . . A 116 PHE C . 19169 1 1423 . 1 1 116 116 PHE CA C 13 55.997 0.047 . 1 . . . A 116 PHE CA . 19169 1 1424 . 1 1 116 116 PHE CB C 13 43.024 0.003 . 1 . . . A 116 PHE CB . 19169 1 1425 . 1 1 116 116 PHE CD1 C 13 131.706 0.087 . 3 . . . A 116 PHE CD1 . 19169 1 1426 . 1 1 116 116 PHE CD2 C 13 131.706 0.087 . 3 . . . A 116 PHE CD2 . 19169 1 1427 . 1 1 116 116 PHE CE1 C 13 131.361 0.070 . 3 . . . A 116 PHE CE1 . 19169 1 1428 . 1 1 116 116 PHE CE2 C 13 131.361 0.070 . 3 . . . A 116 PHE CE2 . 19169 1 1429 . 1 1 116 116 PHE N N 15 122.258 0.027 . 1 . . . A 116 PHE N . 19169 1 1430 . 1 1 117 117 ILE H H 1 8.603 0.006 . 1 . . . A 117 ILE H . 19169 1 1431 . 1 1 117 117 ILE HA H 1 5.131 0.006 . 1 . . . A 117 ILE HA . 19169 1 1432 . 1 1 117 117 ILE HB H 1 1.678 0.010 . 1 . . . A 117 ILE HB . 19169 1 1433 . 1 1 117 117 ILE HG12 H 1 0.846 0.008 . 2 . . . A 117 ILE HG12 . 19169 1 1434 . 1 1 117 117 ILE HG13 H 1 1.608 0.011 . 2 . . . A 117 ILE HG13 . 19169 1 1435 . 1 1 117 117 ILE HG21 H 1 0.655 0.004 . 1 . . . A 117 ILE HG21 . 19169 1 1436 . 1 1 117 117 ILE HG22 H 1 0.655 0.004 . 1 . . . A 117 ILE HG22 . 19169 1 1437 . 1 1 117 117 ILE HG23 H 1 0.655 0.004 . 1 . . . A 117 ILE HG23 . 19169 1 1438 . 1 1 117 117 ILE HD11 H 1 0.481 0.003 . 1 . . . A 117 ILE HD11 . 19169 1 1439 . 1 1 117 117 ILE HD12 H 1 0.481 0.003 . 1 . . . A 117 ILE HD12 . 19169 1 1440 . 1 1 117 117 ILE HD13 H 1 0.481 0.003 . 1 . . . A 117 ILE HD13 . 19169 1 1441 . 1 1 117 117 ILE C C 13 174.029 0.027 . 1 . . . A 117 ILE C . 19169 1 1442 . 1 1 117 117 ILE CA C 13 60.766 0.020 . 1 . . . A 117 ILE CA . 19169 1 1443 . 1 1 117 117 ILE CB C 13 40.483 0.002 . 1 . . . A 117 ILE CB . 19169 1 1444 . 1 1 117 117 ILE CG1 C 13 27.845 0.020 . 1 . . . A 117 ILE CG1 . 19169 1 1445 . 1 1 117 117 ILE CG2 C 13 17.339 0.022 . 1 . . . A 117 ILE CG2 . 19169 1 1446 . 1 1 117 117 ILE CD1 C 13 14.341 0.011 . 1 . . . A 117 ILE CD1 . 19169 1 1447 . 1 1 117 117 ILE N N 15 119.538 0.068 . 1 . . . A 117 ILE N . 19169 1 1448 . 1 1 118 118 VAL H H 1 9.196 0.005 . 1 . . . A 118 VAL H . 19169 1 1449 . 1 1 118 118 VAL HA H 1 5.015 0.006 . 1 . . . A 118 VAL HA . 19169 1 1450 . 1 1 118 118 VAL HB H 1 1.889 0.003 . 1 . . . A 118 VAL HB . 19169 1 1451 . 1 1 118 118 VAL HG11 H 1 1.035 0.007 . 2 . . . A 118 VAL HG11 . 19169 1 1452 . 1 1 118 118 VAL HG12 H 1 1.035 0.007 . 2 . . . A 118 VAL HG12 . 19169 1 1453 . 1 1 118 118 VAL HG13 H 1 1.035 0.007 . 2 . . . A 118 VAL HG13 . 19169 1 1454 . 1 1 118 118 VAL HG21 H 1 0.884 0.004 . 2 . . . A 118 VAL HG21 . 19169 1 1455 . 1 1 118 118 VAL HG22 H 1 0.884 0.004 . 2 . . . A 118 VAL HG22 . 19169 1 1456 . 1 1 118 118 VAL HG23 H 1 0.884 0.004 . 2 . . . A 118 VAL HG23 . 19169 1 1457 . 1 1 118 118 VAL C C 13 175.865 0.001 . 1 . . . A 118 VAL C . 19169 1 1458 . 1 1 118 118 VAL CA C 13 59.452 0.025 . 1 . . . A 118 VAL CA . 19169 1 1459 . 1 1 118 118 VAL CB C 13 34.291 0.026 . 1 . . . A 118 VAL CB . 19169 1 1460 . 1 1 118 118 VAL CG1 C 13 21.236 0.015 . 2 . . . A 118 VAL CG1 . 19169 1 1461 . 1 1 118 118 VAL CG2 C 13 21.287 0.036 . 2 . . . A 118 VAL CG2 . 19169 1 1462 . 1 1 118 118 VAL N N 15 128.664 0.045 . 1 . . . A 118 VAL N . 19169 1 1463 . 1 1 119 119 ASP H H 1 9.319 0.003 . 1 . . . A 119 ASP H . 19169 1 1464 . 1 1 119 119 ASP HA H 1 4.425 0.007 . 1 . . . A 119 ASP HA . 19169 1 1465 . 1 1 119 119 ASP HB2 H 1 3.287 0.006 . 2 . . . A 119 ASP HB2 . 19169 1 1466 . 1 1 119 119 ASP HB3 H 1 2.704 0.005 . 2 . . . A 119 ASP HB3 . 19169 1 1467 . 1 1 119 119 ASP C C 13 177.927 0.007 . 1 . . . A 119 ASP C . 19169 1 1468 . 1 1 119 119 ASP CA C 13 52.485 0.093 . 1 . . . A 119 ASP CA . 19169 1 1469 . 1 1 119 119 ASP CB C 13 41.767 0.036 . 1 . . . A 119 ASP CB . 19169 1 1470 . 1 1 119 119 ASP N N 15 125.150 0.023 . 1 . . . A 119 ASP N . 19169 1 1471 . 1 1 120 120 GLY H H 1 9.166 0.003 . 1 . . . A 120 GLY H . 19169 1 1472 . 1 1 120 120 GLY HA2 H 1 3.570 0.016 . 2 . . . A 120 GLY HA2 . 19169 1 1473 . 1 1 120 120 GLY HA3 H 1 3.521 0.015 . 2 . . . A 120 GLY HA3 . 19169 1 1474 . 1 1 120 120 GLY C C 13 173.647 0.010 . 1 . . . A 120 GLY C . 19169 1 1475 . 1 1 120 120 GLY CA C 13 46.183 0.012 . 1 . . . A 120 GLY CA . 19169 1 1476 . 1 1 120 120 GLY N N 15 105.476 0.029 . 1 . . . A 120 GLY N . 19169 1 1477 . 1 1 121 121 ASN H H 1 8.207 0.003 . 1 . . . A 121 ASN H . 19169 1 1478 . 1 1 121 121 ASN HA H 1 4.928 0.005 . 1 . . . A 121 ASN HA . 19169 1 1479 . 1 1 121 121 ASN HB2 H 1 2.993 0.009 . 2 . . . A 121 ASN HB2 . 19169 1 1480 . 1 1 121 121 ASN HB3 H 1 2.853 0.006 . 2 . . . A 121 ASN HB3 . 19169 1 1481 . 1 1 121 121 ASN HD21 H 1 7.784 0.002 . 1 . . . A 121 ASN HD21 . 19169 1 1482 . 1 1 121 121 ASN HD22 H 1 6.950 0.002 . 1 . . . A 121 ASN HD22 . 19169 1 1483 . 1 1 121 121 ASN C C 13 175.582 0.008 . 1 . . . A 121 ASN C . 19169 1 1484 . 1 1 121 121 ASN CA C 13 52.432 0.051 . 1 . . . A 121 ASN CA . 19169 1 1485 . 1 1 121 121 ASN CB C 13 39.681 0.031 . 1 . . . A 121 ASN CB . 19169 1 1486 . 1 1 121 121 ASN CG C 13 177.777 0.042 . 1 . . . A 121 ASN CG . 19169 1 1487 . 1 1 121 121 ASN N N 15 116.298 0.019 . 1 . . . A 121 ASN N . 19169 1 1488 . 1 1 121 121 ASN ND2 N 15 114.488 0.027 . 1 . . . A 121 ASN ND2 . 19169 1 1489 . 1 1 122 122 GLY H H 1 8.038 0.003 . 1 . . . A 122 GLY H . 19169 1 1490 . 1 1 122 122 GLY HA2 H 1 4.266 0.010 . 2 . . . A 122 GLY HA2 . 19169 1 1491 . 1 1 122 122 GLY HA3 H 1 3.487 0.006 . 2 . . . A 122 GLY HA3 . 19169 1 1492 . 1 1 122 122 GLY C C 13 173.243 0.009 . 1 . . . A 122 GLY C . 19169 1 1493 . 1 1 122 122 GLY CA C 13 45.825 0.061 . 1 . . . A 122 GLY CA . 19169 1 1494 . 1 1 122 122 GLY N N 15 108.324 0.028 . 1 . . . A 122 GLY N . 19169 1 1495 . 1 1 123 123 LYS H H 1 8.319 0.003 . 1 . . . A 123 LYS H . 19169 1 1496 . 1 1 123 123 LYS HA H 1 4.581 0.005 . 1 . . . A 123 LYS HA . 19169 1 1497 . 1 1 123 123 LYS HB2 H 1 1.790 0.007 . 2 . . . A 123 LYS HB2 . 19169 1 1498 . 1 1 123 123 LYS HB3 H 1 1.619 0.009 . 2 . . . A 123 LYS HB3 . 19169 1 1499 . 1 1 123 123 LYS HG2 H 1 1.399 0.022 . 2 . . . A 123 LYS HG2 . 19169 1 1500 . 1 1 123 123 LYS HG3 H 1 1.239 0.005 . 2 . . . A 123 LYS HG3 . 19169 1 1501 . 1 1 123 123 LYS HD2 H 1 1.579 0.008 . 1 . . . A 123 LYS HD2 . 19169 1 1502 . 1 1 123 123 LYS HD3 H 1 1.579 0.008 . 1 . . . A 123 LYS HD3 . 19169 1 1503 . 1 1 123 123 LYS HE2 H 1 2.961 0.010 . 1 . . . A 123 LYS HE2 . 19169 1 1504 . 1 1 123 123 LYS HE3 H 1 2.961 0.010 . 1 . . . A 123 LYS HE3 . 19169 1 1505 . 1 1 123 123 LYS C C 13 176.490 0.007 . 1 . . . A 123 LYS C . 19169 1 1506 . 1 1 123 123 LYS CA C 13 54.680 0.004 . 1 . . . A 123 LYS CA . 19169 1 1507 . 1 1 123 123 LYS CB C 13 33.007 0.054 . 1 . . . A 123 LYS CB . 19169 1 1508 . 1 1 123 123 LYS CG C 13 24.977 0.017 . 1 . . . A 123 LYS CG . 19169 1 1509 . 1 1 123 123 LYS CD C 13 28.735 0.024 . 1 . . . A 123 LYS CD . 19169 1 1510 . 1 1 123 123 LYS CE C 13 42.015 0.020 . 1 . . . A 123 LYS CE . 19169 1 1511 . 1 1 123 123 LYS N N 15 120.318 0.025 . 1 . . . A 123 LYS N . 19169 1 1512 . 1 1 124 124 ILE H H 1 8.861 0.003 . 1 . . . A 124 ILE H . 19169 1 1513 . 1 1 124 124 ILE HA H 1 4.430 0.008 . 1 . . . A 124 ILE HA . 19169 1 1514 . 1 1 124 124 ILE HB H 1 1.924 0.009 . 1 . . . A 124 ILE HB . 19169 1 1515 . 1 1 124 124 ILE HG12 H 1 0.887 0.004 . 2 . . . A 124 ILE HG12 . 19169 1 1516 . 1 1 124 124 ILE HG13 H 1 1.713 0.006 . 2 . . . A 124 ILE HG13 . 19169 1 1517 . 1 1 124 124 ILE HG21 H 1 1.165 0.003 . 1 . . . A 124 ILE HG21 . 19169 1 1518 . 1 1 124 124 ILE HG22 H 1 1.165 0.003 . 1 . . . A 124 ILE HG22 . 19169 1 1519 . 1 1 124 124 ILE HG23 H 1 1.165 0.003 . 1 . . . A 124 ILE HG23 . 19169 1 1520 . 1 1 124 124 ILE HD11 H 1 0.776 0.007 . 1 . . . A 124 ILE HD11 . 19169 1 1521 . 1 1 124 124 ILE HD12 H 1 0.776 0.007 . 1 . . . A 124 ILE HD12 . 19169 1 1522 . 1 1 124 124 ILE HD13 H 1 0.776 0.007 . 1 . . . A 124 ILE HD13 . 19169 1 1523 . 1 1 124 124 ILE C C 13 177.303 0.019 . 1 . . . A 124 ILE C . 19169 1 1524 . 1 1 124 124 ILE CA C 13 62.482 0.043 . 1 . . . A 124 ILE CA . 19169 1 1525 . 1 1 124 124 ILE CB C 13 37.657 0.012 . 1 . . . A 124 ILE CB . 19169 1 1526 . 1 1 124 124 ILE CG1 C 13 28.897 0.009 . 1 . . . A 124 ILE CG1 . 19169 1 1527 . 1 1 124 124 ILE CG2 C 13 18.991 0.027 . 1 . . . A 124 ILE CG2 . 19169 1 1528 . 1 1 124 124 ILE CD1 C 13 14.286 0.022 . 1 . . . A 124 ILE CD1 . 19169 1 1529 . 1 1 124 124 ILE N N 15 124.145 0.022 . 1 . . . A 124 ILE N . 19169 1 1530 . 1 1 125 125 VAL H H 1 8.577 0.004 . 1 . . . A 125 VAL H . 19169 1 1531 . 1 1 125 125 VAL HA H 1 4.653 0.010 . 1 . . . A 125 VAL HA . 19169 1 1532 . 1 1 125 125 VAL HB H 1 2.493 0.008 . 1 . . . A 125 VAL HB . 19169 1 1533 . 1 1 125 125 VAL HG11 H 1 0.832 0.009 . 2 . . . A 125 VAL HG11 . 19169 1 1534 . 1 1 125 125 VAL HG12 H 1 0.832 0.009 . 2 . . . A 125 VAL HG12 . 19169 1 1535 . 1 1 125 125 VAL HG13 H 1 0.832 0.009 . 2 . . . A 125 VAL HG13 . 19169 1 1536 . 1 1 125 125 VAL HG21 H 1 0.819 0.008 . 2 . . . A 125 VAL HG21 . 19169 1 1537 . 1 1 125 125 VAL HG22 H 1 0.819 0.008 . 2 . . . A 125 VAL HG22 . 19169 1 1538 . 1 1 125 125 VAL HG23 H 1 0.819 0.008 . 2 . . . A 125 VAL HG23 . 19169 1 1539 . 1 1 125 125 VAL C C 13 175.155 0.014 . 1 . . . A 125 VAL C . 19169 1 1540 . 1 1 125 125 VAL CA C 13 60.521 0.063 . 1 . . . A 125 VAL CA . 19169 1 1541 . 1 1 125 125 VAL CB C 13 32.977 0.050 . 1 . . . A 125 VAL CB . 19169 1 1542 . 1 1 125 125 VAL CG1 C 13 21.760 0.013 . 2 . . . A 125 VAL CG1 . 19169 1 1543 . 1 1 125 125 VAL CG2 C 13 18.766 0.026 . 2 . . . A 125 VAL CG2 . 19169 1 1544 . 1 1 125 125 VAL N N 15 118.987 0.071 . 1 . . . A 125 VAL N . 19169 1 1545 . 1 1 126 126 TYR H H 1 7.689 0.003 . 1 . . . A 126 TYR H . 19169 1 1546 . 1 1 126 126 TYR HA H 1 4.816 0.005 . 1 . . . A 126 TYR HA . 19169 1 1547 . 1 1 126 126 TYR HB2 H 1 3.196 0.010 . 2 . . . A 126 TYR HB2 . 19169 1 1548 . 1 1 126 126 TYR HB3 H 1 2.506 0.003 . 2 . . . A 126 TYR HB3 . 19169 1 1549 . 1 1 126 126 TYR HD1 H 1 6.930 0.005 . 3 . . . A 126 TYR HD1 . 19169 1 1550 . 1 1 126 126 TYR HD2 H 1 6.930 0.005 . 3 . . . A 126 TYR HD2 . 19169 1 1551 . 1 1 126 126 TYR HE1 H 1 6.577 0.007 . 3 . . . A 126 TYR HE1 . 19169 1 1552 . 1 1 126 126 TYR HE2 H 1 6.577 0.007 . 3 . . . A 126 TYR HE2 . 19169 1 1553 . 1 1 126 126 TYR C C 13 172.978 0.009 . 1 . . . A 126 TYR C . 19169 1 1554 . 1 1 126 126 TYR CA C 13 57.932 0.023 . 1 . . . A 126 TYR CA . 19169 1 1555 . 1 1 126 126 TYR CB C 13 42.882 0.091 . 1 . . . A 126 TYR CB . 19169 1 1556 . 1 1 126 126 TYR CD1 C 13 132.505 0.057 . 3 . . . A 126 TYR CD1 . 19169 1 1557 . 1 1 126 126 TYR CD2 C 13 132.505 0.057 . 3 . . . A 126 TYR CD2 . 19169 1 1558 . 1 1 126 126 TYR CE1 C 13 117.939 0.034 . 3 . . . A 126 TYR CE1 . 19169 1 1559 . 1 1 126 126 TYR CE2 C 13 117.939 0.034 . 3 . . . A 126 TYR CE2 . 19169 1 1560 . 1 1 126 126 TYR N N 15 122.050 0.029 . 1 . . . A 126 TYR N . 19169 1 1561 . 1 1 127 127 ASN H H 1 7.739 0.005 . 1 . . . A 127 ASN H . 19169 1 1562 . 1 1 127 127 ASN HA H 1 5.155 0.004 . 1 . . . A 127 ASN HA . 19169 1 1563 . 1 1 127 127 ASN HB2 H 1 2.371 0.006 . 2 . . . A 127 ASN HB2 . 19169 1 1564 . 1 1 127 127 ASN HB3 H 1 2.269 0.007 . 2 . . . A 127 ASN HB3 . 19169 1 1565 . 1 1 127 127 ASN HD21 H 1 6.645 0.005 . 1 . . . A 127 ASN HD21 . 19169 1 1566 . 1 1 127 127 ASN HD22 H 1 6.645 0.005 . 1 . . . A 127 ASN HD22 . 19169 1 1567 . 1 1 127 127 ASN C C 13 172.175 0.020 . 1 . . . A 127 ASN C . 19169 1 1568 . 1 1 127 127 ASN CA C 13 51.828 0.016 . 1 . . . A 127 ASN CA . 19169 1 1569 . 1 1 127 127 ASN CB C 13 42.736 0.035 . 1 . . . A 127 ASN CB . 19169 1 1570 . 1 1 127 127 ASN CG C 13 176.256 0.020 . 1 . . . A 127 ASN CG . 19169 1 1571 . 1 1 127 127 ASN N N 15 124.458 0.040 . 1 . . . A 127 ASN N . 19169 1 1572 . 1 1 127 127 ASN ND2 N 15 112.934 0.022 . 1 . . . A 127 ASN ND2 . 19169 1 1573 . 1 1 128 128 HIS H H 1 8.442 0.003 . 1 . . . A 128 HIS H . 19169 1 1574 . 1 1 128 128 HIS HA H 1 4.472 0.008 . 1 . . . A 128 HIS HA . 19169 1 1575 . 1 1 128 128 HIS HB2 H 1 2.773 0.010 . 2 . . . A 128 HIS HB2 . 19169 1 1576 . 1 1 128 128 HIS HB3 H 1 2.953 0.005 . 2 . . . A 128 HIS HB3 . 19169 1 1577 . 1 1 128 128 HIS HD2 H 1 7.197 0.010 . 1 . . . A 128 HIS HD2 . 19169 1 1578 . 1 1 128 128 HIS C C 13 173.291 0.002 . 1 . . . A 128 HIS C . 19169 1 1579 . 1 1 128 128 HIS CA C 13 55.948 0.015 . 1 . . . A 128 HIS CA . 19169 1 1580 . 1 1 128 128 HIS CB C 13 32.510 0.007 . 1 . . . A 128 HIS CB . 19169 1 1581 . 1 1 128 128 HIS CD2 C 13 120.618 0.052 . 1 . . . A 128 HIS CD2 . 19169 1 1582 . 1 1 128 128 HIS N N 15 119.649 0.080 . 1 . . . A 128 HIS N . 19169 1 1583 . 1 1 129 129 THR H H 1 8.237 0.002 . 1 . . . A 129 THR H . 19169 1 1584 . 1 1 129 129 THR HA H 1 5.040 0.008 . 1 . . . A 129 THR HA . 19169 1 1585 . 1 1 129 129 THR HB H 1 3.838 0.011 . 1 . . . A 129 THR HB . 19169 1 1586 . 1 1 129 129 THR HG21 H 1 1.095 0.006 . 1 . . . A 129 THR HG21 . 19169 1 1587 . 1 1 129 129 THR HG22 H 1 1.095 0.006 . 1 . . . A 129 THR HG22 . 19169 1 1588 . 1 1 129 129 THR HG23 H 1 1.095 0.006 . 1 . . . A 129 THR HG23 . 19169 1 1589 . 1 1 129 129 THR C C 13 174.065 0.014 . 1 . . . A 129 THR C . 19169 1 1590 . 1 1 129 129 THR CA C 13 60.620 0.045 . 1 . . . A 129 THR CA . 19169 1 1591 . 1 1 129 129 THR CB C 13 70.615 0.003 . 1 . . . A 129 THR CB . 19169 1 1592 . 1 1 129 129 THR CG2 C 13 22.123 0.042 . 1 . . . A 129 THR CG2 . 19169 1 1593 . 1 1 129 129 THR N N 15 123.076 0.071 . 1 . . . A 129 THR N . 19169 1 1594 . 1 1 130 130 GLY H H 1 8.403 0.002 . 1 . . . A 130 GLY H . 19169 1 1595 . 1 1 130 130 GLY HA2 H 1 4.454 0.017 . 2 . . . A 130 GLY HA2 . 19169 1 1596 . 1 1 130 130 GLY HA3 H 1 3.560 0.006 . 2 . . . A 130 GLY HA3 . 19169 1 1597 . 1 1 130 130 GLY C C 13 172.612 0.012 . 1 . . . A 130 GLY C . 19169 1 1598 . 1 1 130 130 GLY CA C 13 43.483 0.040 . 1 . . . A 130 GLY CA . 19169 1 1599 . 1 1 130 130 GLY N N 15 109.396 0.026 . 1 . . . A 130 GLY N . 19169 1 1600 . 1 1 131 131 TYR H H 1 8.578 0.002 . 1 . . . A 131 TYR H . 19169 1 1601 . 1 1 131 131 TYR HA H 1 4.931 0.005 . 1 . . . A 131 TYR HA . 19169 1 1602 . 1 1 131 131 TYR HB2 H 1 2.456 0.005 . 2 . . . A 131 TYR HB2 . 19169 1 1603 . 1 1 131 131 TYR HB3 H 1 2.974 0.009 . 2 . . . A 131 TYR HB3 . 19169 1 1604 . 1 1 131 131 TYR HD1 H 1 7.009 0.003 . 3 . . . A 131 TYR HD1 . 19169 1 1605 . 1 1 131 131 TYR HD2 H 1 7.009 0.003 . 3 . . . A 131 TYR HD2 . 19169 1 1606 . 1 1 131 131 TYR HE1 H 1 6.812 0.006 . 3 . . . A 131 TYR HE1 . 19169 1 1607 . 1 1 131 131 TYR HE2 H 1 6.812 0.006 . 3 . . . A 131 TYR HE2 . 19169 1 1608 . 1 1 131 131 TYR C C 13 173.857 0.009 . 1 . . . A 131 TYR C . 19169 1 1609 . 1 1 131 131 TYR CA C 13 58.772 0.031 . 1 . . . A 131 TYR CA . 19169 1 1610 . 1 1 131 131 TYR CB C 13 41.992 0.004 . 1 . . . A 131 TYR CB . 19169 1 1611 . 1 1 131 131 TYR CD1 C 13 133.107 0.055 . 3 . . . A 131 TYR CD1 . 19169 1 1612 . 1 1 131 131 TYR CD2 C 13 133.107 0.055 . 3 . . . A 131 TYR CD2 . 19169 1 1613 . 1 1 131 131 TYR CE1 C 13 117.775 0.060 . 3 . . . A 131 TYR CE1 . 19169 1 1614 . 1 1 131 131 TYR CE2 C 13 117.775 0.060 . 3 . . . A 131 TYR CE2 . 19169 1 1615 . 1 1 131 131 TYR N N 15 118.589 0.019 . 1 . . . A 131 TYR N . 19169 1 1616 . 1 1 132 132 THR H H 1 7.193 0.005 . 1 . . . A 132 THR H . 19169 1 1617 . 1 1 132 132 THR HA H 1 4.103 0.007 . 1 . . . A 132 THR HA . 19169 1 1618 . 1 1 132 132 THR HB H 1 3.828 0.007 . 1 . . . A 132 THR HB . 19169 1 1619 . 1 1 132 132 THR HG21 H 1 1.095 0.012 . 1 . . . A 132 THR HG21 . 19169 1 1620 . 1 1 132 132 THR HG22 H 1 1.095 0.012 . 1 . . . A 132 THR HG22 . 19169 1 1621 . 1 1 132 132 THR HG23 H 1 1.095 0.012 . 1 . . . A 132 THR HG23 . 19169 1 1622 . 1 1 132 132 THR C C 13 171.416 0.014 . 1 . . . A 132 THR C . 19169 1 1623 . 1 1 132 132 THR CA C 13 59.561 0.037 . 1 . . . A 132 THR CA . 19169 1 1624 . 1 1 132 132 THR CB C 13 70.663 0.076 . 1 . . . A 132 THR CB . 19169 1 1625 . 1 1 132 132 THR CG2 C 13 21.133 0.005 . 1 . . . A 132 THR CG2 . 19169 1 1626 . 1 1 132 132 THR N N 15 123.208 0.029 . 1 . . . A 132 THR N . 19169 1 1627 . 1 1 133 133 GLU H H 1 8.382 0.003 . 1 . . . A 133 GLU H . 19169 1 1628 . 1 1 133 133 GLU HA H 1 3.809 0.009 . 1 . . . A 133 GLU HA . 19169 1 1629 . 1 1 133 133 GLU HB2 H 1 1.969 0.006 . 1 . . . A 133 GLU HB2 . 19169 1 1630 . 1 1 133 133 GLU HB3 H 1 1.969 0.006 . 1 . . . A 133 GLU HB3 . 19169 1 1631 . 1 1 133 133 GLU HG2 H 1 2.370 0.006 . 1 . . . A 133 GLU HG2 . 19169 1 1632 . 1 1 133 133 GLU HG3 H 1 2.370 0.006 . 1 . . . A 133 GLU HG3 . 19169 1 1633 . 1 1 133 133 GLU C C 13 177.347 0.004 . 1 . . . A 133 GLU C . 19169 1 1634 . 1 1 133 133 GLU CA C 13 58.737 0.008 . 1 . . . A 133 GLU CA . 19169 1 1635 . 1 1 133 133 GLU CB C 13 29.157 0.033 . 1 . . . A 133 GLU CB . 19169 1 1636 . 1 1 133 133 GLU CG C 13 35.669 0.020 . 1 . . . A 133 GLU CG . 19169 1 1637 . 1 1 133 133 GLU N N 15 123.118 0.019 . 1 . . . A 133 GLU N . 19169 1 1638 . 1 1 134 134 GLY H H 1 8.185 0.004 . 1 . . . A 134 GLY H . 19169 1 1639 . 1 1 134 134 GLY HA2 H 1 3.964 0.005 . 2 . . . A 134 GLY HA2 . 19169 1 1640 . 1 1 134 134 GLY HA3 H 1 4.288 0.006 . 2 . . . A 134 GLY HA3 . 19169 1 1641 . 1 1 134 134 GLY C C 13 177.490 0.047 . 1 . . . A 134 GLY C . 19169 1 1642 . 1 1 134 134 GLY CA C 13 45.465 0.011 . 1 . . . A 134 GLY CA . 19169 1 1643 . 1 1 134 134 GLY N N 15 114.665 0.018 . 1 . . . A 134 GLY N . 19169 1 1644 . 1 1 135 135 GLY H H 1 9.018 0.003 . 1 . . . A 135 GLY H . 19169 1 1645 . 1 1 135 135 GLY HA2 H 1 3.910 0.006 . 2 . . . A 135 GLY HA2 . 19169 1 1646 . 1 1 135 135 GLY HA3 H 1 3.988 0.007 . 2 . . . A 135 GLY HA3 . 19169 1 1647 . 1 1 135 135 GLY C C 13 176.161 0.010 . 1 . . . A 135 GLY C . 19169 1 1648 . 1 1 135 135 GLY CA C 13 46.742 0.122 . 1 . . . A 135 GLY CA . 19169 1 1649 . 1 1 135 135 GLY N N 15 110.541 0.021 . 1 . . . A 135 GLY N . 19169 1 1650 . 1 1 136 136 GLU H H 1 10.760 0.004 . 1 . . . A 136 GLU H . 19169 1 1651 . 1 1 136 136 GLU HA H 1 4.413 0.008 . 1 . . . A 136 GLU HA . 19169 1 1652 . 1 1 136 136 GLU HB2 H 1 2.404 0.008 . 2 . . . A 136 GLU HB2 . 19169 1 1653 . 1 1 136 136 GLU HB3 H 1 2.259 0.012 . 2 . . . A 136 GLU HB3 . 19169 1 1654 . 1 1 136 136 GLU C C 13 176.984 0.006 . 1 . . . A 136 GLU C . 19169 1 1655 . 1 1 136 136 GLU CA C 13 58.956 0.027 . 1 . . . A 136 GLU CA . 19169 1 1656 . 1 1 136 136 GLU CB C 13 27.378 0.006 . 1 . . . A 136 GLU CB . 19169 1 1657 . 1 1 136 136 GLU N N 15 123.528 0.021 . 1 . . . A 136 GLU N . 19169 1 1658 . 1 1 137 137 ALA H H 1 8.011 0.004 . 1 . . . A 137 ALA H . 19169 1 1659 . 1 1 137 137 ALA HA H 1 4.289 0.004 . 1 . . . A 137 ALA HA . 19169 1 1660 . 1 1 137 137 ALA HB1 H 1 1.560 0.004 . 1 . . . A 137 ALA HB1 . 19169 1 1661 . 1 1 137 137 ALA HB2 H 1 1.560 0.004 . 1 . . . A 137 ALA HB2 . 19169 1 1662 . 1 1 137 137 ALA HB3 H 1 1.560 0.004 . 1 . . . A 137 ALA HB3 . 19169 1 1663 . 1 1 137 137 ALA C C 13 180.111 0.008 . 1 . . . A 137 ALA C . 19169 1 1664 . 1 1 137 137 ALA CA C 13 54.647 0.022 . 1 . . . A 137 ALA CA . 19169 1 1665 . 1 1 137 137 ALA CB C 13 18.355 0.017 . 1 . . . A 137 ALA CB . 19169 1 1666 . 1 1 137 137 ALA N N 15 124.957 0.051 . 1 . . . A 137 ALA N . 19169 1 1667 . 1 1 138 138 GLU H H 1 7.509 0.003 . 1 . . . A 138 GLU H . 19169 1 1668 . 1 1 138 138 GLU HA H 1 3.891 0.007 . 1 . . . A 138 GLU HA . 19169 1 1669 . 1 1 138 138 GLU HB2 H 1 1.955 0.006 . 1 . . . A 138 GLU HB2 . 19169 1 1670 . 1 1 138 138 GLU HB3 H 1 1.955 0.006 . 1 . . . A 138 GLU HB3 . 19169 1 1671 . 1 1 138 138 GLU HG2 H 1 2.280 0.006 . 2 . . . A 138 GLU HG2 . 19169 1 1672 . 1 1 138 138 GLU HG3 H 1 2.217 0.005 . 2 . . . A 138 GLU HG3 . 19169 1 1673 . 1 1 138 138 GLU C C 13 178.320 0.010 . 1 . . . A 138 GLU C . 19169 1 1674 . 1 1 138 138 GLU CA C 13 58.320 0.026 . 1 . . . A 138 GLU CA . 19169 1 1675 . 1 1 138 138 GLU CB C 13 29.997 0.013 . 1 . . . A 138 GLU CB . 19169 1 1676 . 1 1 138 138 GLU CG C 13 36.173 0.020 . 1 . . . A 138 GLU CG . 19169 1 1677 . 1 1 138 138 GLU N N 15 115.858 0.026 . 1 . . . A 138 GLU N . 19169 1 1678 . 1 1 139 139 LEU H H 1 7.268 0.003 . 1 . . . A 139 LEU H . 19169 1 1679 . 1 1 139 139 LEU HA H 1 3.639 0.006 . 1 . . . A 139 LEU HA . 19169 1 1680 . 1 1 139 139 LEU HB2 H 1 1.100 0.010 . 2 . . . A 139 LEU HB2 . 19169 1 1681 . 1 1 139 139 LEU HB3 H 1 2.213 0.006 . 2 . . . A 139 LEU HB3 . 19169 1 1682 . 1 1 139 139 LEU HG H 1 1.859 0.004 . 1 . . . A 139 LEU HG . 19169 1 1683 . 1 1 139 139 LEU HD11 H 1 1.057 0.007 . 2 . . . A 139 LEU HD11 . 19169 1 1684 . 1 1 139 139 LEU HD12 H 1 1.057 0.007 . 2 . . . A 139 LEU HD12 . 19169 1 1685 . 1 1 139 139 LEU HD13 H 1 1.057 0.007 . 2 . . . A 139 LEU HD13 . 19169 1 1686 . 1 1 139 139 LEU HD21 H 1 0.785 0.006 . 2 . . . A 139 LEU HD21 . 19169 1 1687 . 1 1 139 139 LEU HD22 H 1 0.785 0.006 . 2 . . . A 139 LEU HD22 . 19169 1 1688 . 1 1 139 139 LEU HD23 H 1 0.785 0.006 . 2 . . . A 139 LEU HD23 . 19169 1 1689 . 1 1 139 139 LEU C C 13 177.861 0.010 . 1 . . . A 139 LEU C . 19169 1 1690 . 1 1 139 139 LEU CA C 13 56.736 0.025 . 1 . . . A 139 LEU CA . 19169 1 1691 . 1 1 139 139 LEU CB C 13 41.191 0.023 . 1 . . . A 139 LEU CB . 19169 1 1692 . 1 1 139 139 LEU CG C 13 27.010 0.048 . 1 . . . A 139 LEU CG . 19169 1 1693 . 1 1 139 139 LEU CD1 C 13 25.593 0.020 . 2 . . . A 139 LEU CD1 . 19169 1 1694 . 1 1 139 139 LEU CD2 C 13 23.418 0.137 . 2 . . . A 139 LEU CD2 . 19169 1 1695 . 1 1 139 139 LEU N N 15 115.828 0.050 . 1 . . . A 139 LEU N . 19169 1 1696 . 1 1 140 140 ILE H H 1 6.357 0.004 . 1 . . . A 140 ILE H . 19169 1 1697 . 1 1 140 140 ILE HA H 1 3.446 0.005 . 1 . . . A 140 ILE HA . 19169 1 1698 . 1 1 140 140 ILE HB H 1 -0.586 0.009 . 1 . . . A 140 ILE HB . 19169 1 1699 . 1 1 140 140 ILE HG12 H 1 0.168 0.006 . 2 . . . A 140 ILE HG12 . 19169 1 1700 . 1 1 140 140 ILE HG13 H 1 0.541 0.016 . 2 . . . A 140 ILE HG13 . 19169 1 1701 . 1 1 140 140 ILE HG21 H 1 0.761 0.009 . 1 . . . A 140 ILE HG21 . 19169 1 1702 . 1 1 140 140 ILE HG22 H 1 0.761 0.009 . 1 . . . A 140 ILE HG22 . 19169 1 1703 . 1 1 140 140 ILE HG23 H 1 0.761 0.009 . 1 . . . A 140 ILE HG23 . 19169 1 1704 . 1 1 140 140 ILE HD11 H 1 0.034 0.005 . 1 . . . A 140 ILE HD11 . 19169 1 1705 . 1 1 140 140 ILE HD12 H 1 0.034 0.005 . 1 . . . A 140 ILE HD12 . 19169 1 1706 . 1 1 140 140 ILE HD13 H 1 0.034 0.005 . 1 . . . A 140 ILE HD13 . 19169 1 1707 . 1 1 140 140 ILE C C 13 176.085 0.008 . 1 . . . A 140 ILE C . 19169 1 1708 . 1 1 140 140 ILE CA C 13 58.843 0.011 . 1 . . . A 140 ILE CA . 19169 1 1709 . 1 1 140 140 ILE CB C 13 36.427 0.023 . 1 . . . A 140 ILE CB . 19169 1 1710 . 1 1 140 140 ILE CG1 C 13 27.800 0.008 . 1 . . . A 140 ILE CG1 . 19169 1 1711 . 1 1 140 140 ILE CG2 C 13 18.533 0.023 . 1 . . . A 140 ILE CG2 . 19169 1 1712 . 1 1 140 140 ILE CD1 C 13 13.375 0.016 . 1 . . . A 140 ILE CD1 . 19169 1 1713 . 1 1 140 140 ILE N N 15 115.259 0.019 . 1 . . . A 140 ILE N . 19169 1 1714 . 1 1 141 141 LYS H H 1 7.142 0.003 . 1 . . . A 141 LYS H . 19169 1 1715 . 1 1 141 141 LYS HA H 1 3.828 0.006 . 1 . . . A 141 LYS HA . 19169 1 1716 . 1 1 141 141 LYS HB2 H 1 1.750 0.011 . 1 . . . A 141 LYS HB2 . 19169 1 1717 . 1 1 141 141 LYS HB3 H 1 1.750 0.011 . 1 . . . A 141 LYS HB3 . 19169 1 1718 . 1 1 141 141 LYS HG2 H 1 1.447 0.004 . 2 . . . A 141 LYS HG2 . 19169 1 1719 . 1 1 141 141 LYS HG3 H 1 1.234 0.003 . 2 . . . A 141 LYS HG3 . 19169 1 1720 . 1 1 141 141 LYS HD2 H 1 1.604 0.002 . 1 . . . A 141 LYS HD2 . 19169 1 1721 . 1 1 141 141 LYS HD3 H 1 1.604 0.002 . 1 . . . A 141 LYS HD3 . 19169 1 1722 . 1 1 141 141 LYS HE2 H 1 2.953 0.010 . 2 . . . A 141 LYS HE2 . 19169 1 1723 . 1 1 141 141 LYS HE3 H 1 2.890 0.005 . 2 . . . A 141 LYS HE3 . 19169 1 1724 . 1 1 141 141 LYS C C 13 178.695 0.008 . 1 . . . A 141 LYS C . 19169 1 1725 . 1 1 141 141 LYS CA C 13 60.198 0.088 . 1 . . . A 141 LYS CA . 19169 1 1726 . 1 1 141 141 LYS CB C 13 32.514 0.019 . 1 . . . A 141 LYS CB . 19169 1 1727 . 1 1 141 141 LYS CG C 13 24.946 0.052 . 1 . . . A 141 LYS CG . 19169 1 1728 . 1 1 141 141 LYS CD C 13 29.526 0.045 . 1 . . . A 141 LYS CD . 19169 1 1729 . 1 1 141 141 LYS CE C 13 41.790 0.007 . 1 . . . A 141 LYS CE . 19169 1 1730 . 1 1 141 141 LYS N N 15 123.581 0.028 . 1 . . . A 141 LYS N . 19169 1 1731 . 1 1 142 142 LYS H H 1 7.170 0.004 . 1 . . . A 142 LYS H . 19169 1 1732 . 1 1 142 142 LYS HA H 1 4.048 0.010 . 1 . . . A 142 LYS HA . 19169 1 1733 . 1 1 142 142 LYS HB2 H 1 1.501 0.001 . 1 . . . A 142 LYS HB2 . 19169 1 1734 . 1 1 142 142 LYS HB3 H 1 1.499 0.010 . 1 . . . A 142 LYS HB3 . 19169 1 1735 . 1 1 142 142 LYS HG2 H 1 1.123 0.009 . 2 . . . A 142 LYS HG2 . 19169 1 1736 . 1 1 142 142 LYS HG3 H 1 0.931 0.017 . 2 . . . A 142 LYS HG3 . 19169 1 1737 . 1 1 142 142 LYS HD2 H 1 1.618 0.007 . 1 . . . A 142 LYS HD2 . 19169 1 1738 . 1 1 142 142 LYS HD3 H 1 1.618 0.007 . 1 . . . A 142 LYS HD3 . 19169 1 1739 . 1 1 142 142 LYS HE2 H 1 2.708 0.010 . 1 . . . A 142 LYS HE2 . 19169 1 1740 . 1 1 142 142 LYS HE3 H 1 2.708 0.010 . 1 . . . A 142 LYS HE3 . 19169 1 1741 . 1 1 142 142 LYS C C 13 178.607 0.010 . 1 . . . A 142 LYS C . 19169 1 1742 . 1 1 142 142 LYS CA C 13 57.133 0.054 . 1 . . . A 142 LYS CA . 19169 1 1743 . 1 1 142 142 LYS CB C 13 30.271 0.003 . 1 . . . A 142 LYS CB . 19169 1 1744 . 1 1 142 142 LYS CG C 13 24.239 0.006 . 1 . . . A 142 LYS CG . 19169 1 1745 . 1 1 142 142 LYS CD C 13 30.264 0.038 . 1 . . . A 142 LYS CD . 19169 1 1746 . 1 1 142 142 LYS CE C 13 41.720 0.004 . 1 . . . A 142 LYS CE . 19169 1 1747 . 1 1 142 142 LYS N N 15 117.930 0.029 . 1 . . . A 142 LYS N . 19169 1 1748 . 1 1 143 143 VAL H H 1 7.940 0.002 . 1 . . . A 143 VAL H . 19169 1 1749 . 1 1 143 143 VAL HA H 1 3.320 0.007 . 1 . . . A 143 VAL HA . 19169 1 1750 . 1 1 143 143 VAL HB H 1 1.937 0.009 . 1 . . . A 143 VAL HB . 19169 1 1751 . 1 1 143 143 VAL HG11 H 1 0.767 0.010 . 2 . . . A 143 VAL HG11 . 19169 1 1752 . 1 1 143 143 VAL HG12 H 1 0.767 0.010 . 2 . . . A 143 VAL HG12 . 19169 1 1753 . 1 1 143 143 VAL HG13 H 1 0.767 0.010 . 2 . . . A 143 VAL HG13 . 19169 1 1754 . 1 1 143 143 VAL HG21 H 1 0.739 0.011 . 2 . . . A 143 VAL HG21 . 19169 1 1755 . 1 1 143 143 VAL HG22 H 1 0.739 0.011 . 2 . . . A 143 VAL HG22 . 19169 1 1756 . 1 1 143 143 VAL HG23 H 1 0.739 0.011 . 2 . . . A 143 VAL HG23 . 19169 1 1757 . 1 1 143 143 VAL C C 13 177.590 0.006 . 1 . . . A 143 VAL C . 19169 1 1758 . 1 1 143 143 VAL CA C 13 67.448 0.019 . 1 . . . A 143 VAL CA . 19169 1 1759 . 1 1 143 143 VAL CB C 13 31.302 0.004 . 1 . . . A 143 VAL CB . 19169 1 1760 . 1 1 143 143 VAL CG1 C 13 23.504 0.020 . 2 . . . A 143 VAL CG1 . 19169 1 1761 . 1 1 143 143 VAL CG2 C 13 21.471 0.041 . 2 . . . A 143 VAL CG2 . 19169 1 1762 . 1 1 143 143 VAL N N 15 118.802 0.037 . 1 . . . A 143 VAL N . 19169 1 1763 . 1 1 144 144 ARG H H 1 8.492 0.003 . 1 . . . A 144 ARG H . 19169 1 1764 . 1 1 144 144 ARG HA H 1 3.708 0.006 . 1 . . . A 144 ARG HA . 19169 1 1765 . 1 1 144 144 ARG HB2 H 1 1.745 0.006 . 1 . . . A 144 ARG HB2 . 19169 1 1766 . 1 1 144 144 ARG HB3 H 1 1.745 0.006 . 1 . . . A 144 ARG HB3 . 19169 1 1767 . 1 1 144 144 ARG HG2 H 1 1.521 0.005 . 2 . . . A 144 ARG HG2 . 19169 1 1768 . 1 1 144 144 ARG HG3 H 1 1.372 0.010 . 2 . . . A 144 ARG HG3 . 19169 1 1769 . 1 1 144 144 ARG HD2 H 1 2.882 0.004 . 2 . . . A 144 ARG HD2 . 19169 1 1770 . 1 1 144 144 ARG HD3 H 1 2.929 0.007 . 2 . . . A 144 ARG HD3 . 19169 1 1771 . 1 1 144 144 ARG HE H 1 8.364 0.005 . 1 . . . A 144 ARG HE . 19169 1 1772 . 1 1 144 144 ARG C C 13 178.924 0.009 . 1 . . . A 144 ARG C . 19169 1 1773 . 1 1 144 144 ARG CA C 13 60.256 0.043 . 1 . . . A 144 ARG CA . 19169 1 1774 . 1 1 144 144 ARG CB C 13 30.220 0.006 . 1 . . . A 144 ARG CB . 19169 1 1775 . 1 1 144 144 ARG CG C 13 29.188 0.002 . 1 . . . A 144 ARG CG . 19169 1 1776 . 1 1 144 144 ARG CD C 13 43.437 0.013 . 1 . . . A 144 ARG CD . 19169 1 1777 . 1 1 144 144 ARG CZ C 13 159.421 0.020 . 1 . . . A 144 ARG CZ . 19169 1 1778 . 1 1 144 144 ARG N N 15 117.949 0.017 . 1 . . . A 144 ARG N . 19169 1 1779 . 1 1 144 144 ARG NE N 15 86.842 0.042 . 1 . . . A 144 ARG NE . 19169 1 1780 . 1 1 145 145 GLU H H 1 7.438 0.003 . 1 . . . A 145 GLU H . 19169 1 1781 . 1 1 145 145 GLU HA H 1 3.988 0.009 . 1 . . . A 145 GLU HA . 19169 1 1782 . 1 1 145 145 GLU HB2 H 1 2.174 0.013 . 2 . . . A 145 GLU HB2 . 19169 1 1783 . 1 1 145 145 GLU HB3 H 1 2.217 0.014 . 2 . . . A 145 GLU HB3 . 19169 1 1784 . 1 1 145 145 GLU HG2 H 1 2.490 0.006 . 2 . . . A 145 GLU HG2 . 19169 1 1785 . 1 1 145 145 GLU HG3 H 1 2.221 0.008 . 2 . . . A 145 GLU HG3 . 19169 1 1786 . 1 1 145 145 GLU C C 13 178.729 0.014 . 1 . . . A 145 GLU C . 19169 1 1787 . 1 1 145 145 GLU CA C 13 58.947 0.051 . 1 . . . A 145 GLU CA . 19169 1 1788 . 1 1 145 145 GLU CB C 13 29.598 0.007 . 1 . . . A 145 GLU CB . 19169 1 1789 . 1 1 145 145 GLU CG C 13 36.083 0.037 . 1 . . . A 145 GLU CG . 19169 1 1790 . 1 1 145 145 GLU N N 15 118.177 0.023 . 1 . . . A 145 GLU N . 19169 1 1791 . 1 1 146 146 LEU H H 1 7.840 0.003 . 1 . . . A 146 LEU H . 19169 1 1792 . 1 1 146 146 LEU HA H 1 4.201 0.005 . 1 . . . A 146 LEU HA . 19169 1 1793 . 1 1 146 146 LEU HB2 H 1 2.079 0.005 . 2 . . . A 146 LEU HB2 . 19169 1 1794 . 1 1 146 146 LEU HB3 H 1 1.695 0.004 . 2 . . . A 146 LEU HB3 . 19169 1 1795 . 1 1 146 146 LEU HG H 1 2.036 0.010 . 1 . . . A 146 LEU HG . 19169 1 1796 . 1 1 146 146 LEU HD11 H 1 0.991 0.010 . 2 . . . A 146 LEU HD11 . 19169 1 1797 . 1 1 146 146 LEU HD12 H 1 0.991 0.010 . 2 . . . A 146 LEU HD12 . 19169 1 1798 . 1 1 146 146 LEU HD13 H 1 0.991 0.010 . 2 . . . A 146 LEU HD13 . 19169 1 1799 . 1 1 146 146 LEU HD21 H 1 0.770 0.009 . 2 . . . A 146 LEU HD21 . 19169 1 1800 . 1 1 146 146 LEU HD22 H 1 0.770 0.009 . 2 . . . A 146 LEU HD22 . 19169 1 1801 . 1 1 146 146 LEU HD23 H 1 0.770 0.009 . 2 . . . A 146 LEU HD23 . 19169 1 1802 . 1 1 146 146 LEU C C 13 179.613 0.007 . 1 . . . A 146 LEU C . 19169 1 1803 . 1 1 146 146 LEU CA C 13 56.875 0.035 . 1 . . . A 146 LEU CA . 19169 1 1804 . 1 1 146 146 LEU CB C 13 42.336 0.030 . 1 . . . A 146 LEU CB . 19169 1 1805 . 1 1 146 146 LEU CG C 13 26.242 0.005 . 1 . . . A 146 LEU CG . 19169 1 1806 . 1 1 146 146 LEU CD1 C 13 22.772 0.018 . 2 . . . A 146 LEU CD1 . 19169 1 1807 . 1 1 146 146 LEU CD2 C 13 26.800 0.051 . 2 . . . A 146 LEU CD2 . 19169 1 1808 . 1 1 146 146 LEU N N 15 118.405 0.051 . 1 . . . A 146 LEU N . 19169 1 1809 . 1 1 147 147 VAL H H 1 7.818 0.003 . 1 . . . A 147 VAL H . 19169 1 1810 . 1 1 147 147 VAL HA H 1 4.144 0.016 . 1 . . . A 147 VAL HA . 19169 1 1811 . 1 1 147 147 VAL HB H 1 2.313 0.008 . 1 . . . A 147 VAL HB . 19169 1 1812 . 1 1 147 147 VAL HG11 H 1 1.035 0.006 . 2 . . . A 147 VAL HG11 . 19169 1 1813 . 1 1 147 147 VAL HG12 H 1 1.035 0.006 . 2 . . . A 147 VAL HG12 . 19169 1 1814 . 1 1 147 147 VAL HG13 H 1 1.035 0.006 . 2 . . . A 147 VAL HG13 . 19169 1 1815 . 1 1 147 147 VAL HG21 H 1 1.031 0.008 . 2 . . . A 147 VAL HG21 . 19169 1 1816 . 1 1 147 147 VAL HG22 H 1 1.031 0.008 . 2 . . . A 147 VAL HG22 . 19169 1 1817 . 1 1 147 147 VAL HG23 H 1 1.031 0.008 . 2 . . . A 147 VAL HG23 . 19169 1 1818 . 1 1 147 147 VAL C C 13 177.093 0.014 . 1 . . . A 147 VAL C . 19169 1 1819 . 1 1 147 147 VAL CA C 13 63.374 0.042 . 1 . . . A 147 VAL CA . 19169 1 1820 . 1 1 147 147 VAL CB C 13 32.008 0.013 . 1 . . . A 147 VAL CB . 19169 1 1821 . 1 1 147 147 VAL CG1 C 13 21.020 0.205 . 2 . . . A 147 VAL CG1 . 19169 1 1822 . 1 1 147 147 VAL CG2 C 13 21.325 0.099 . 2 . . . A 147 VAL CG2 . 19169 1 1823 . 1 1 147 147 VAL N N 15 114.804 0.025 . 1 . . . A 147 VAL N . 19169 1 1824 . 1 1 148 148 LYS H H 1 7.811 0.004 . 1 . . . A 148 LYS H . 19169 1 1825 . 1 1 148 148 LYS HA H 1 4.152 0.005 . 1 . . . A 148 LYS HA . 19169 1 1826 . 1 1 148 148 LYS HB2 H 1 1.902 0.006 . 1 . . . A 148 LYS HB2 . 19169 1 1827 . 1 1 148 148 LYS HB3 H 1 1.902 0.006 . 1 . . . A 148 LYS HB3 . 19169 1 1828 . 1 1 148 148 LYS HG2 H 1 1.450 0.007 . 2 . . . A 148 LYS HG2 . 19169 1 1829 . 1 1 148 148 LYS HG3 H 1 1.523 0.002 . 2 . . . A 148 LYS HG3 . 19169 1 1830 . 1 1 148 148 LYS HD2 H 1 1.693 0.008 . 1 . . . A 148 LYS HD2 . 19169 1 1831 . 1 1 148 148 LYS HD3 H 1 1.693 0.008 . 1 . . . A 148 LYS HD3 . 19169 1 1832 . 1 1 148 148 LYS HE2 H 1 2.976 0.002 . 1 . . . A 148 LYS HE2 . 19169 1 1833 . 1 1 148 148 LYS HE3 H 1 2.976 0.002 . 1 . . . A 148 LYS HE3 . 19169 1 1834 . 1 1 148 148 LYS C C 13 177.623 0.009 . 1 . . . A 148 LYS C . 19169 1 1835 . 1 1 148 148 LYS CA C 13 57.966 0.018 . 1 . . . A 148 LYS CA . 19169 1 1836 . 1 1 148 148 LYS CB C 13 32.445 0.008 . 1 . . . A 148 LYS CB . 19169 1 1837 . 1 1 148 148 LYS CG C 13 24.929 0.027 . 1 . . . A 148 LYS CG . 19169 1 1838 . 1 1 148 148 LYS CD C 13 29.110 0.020 . 1 . . . A 148 LYS CD . 19169 1 1839 . 1 1 148 148 LYS CE C 13 42.108 0.020 . 1 . . . A 148 LYS CE . 19169 1 1840 . 1 1 148 148 LYS N N 15 121.535 0.032 . 1 . . . A 148 LYS N . 19169 1 1841 . 1 1 149 149 GLU H H 1 8.106 0.004 . 1 . . . A 149 GLU H . 19169 1 1842 . 1 1 149 149 GLU HA H 1 4.235 0.009 . 1 . . . A 149 GLU HA . 19169 1 1843 . 1 1 149 149 GLU HB2 H 1 2.090 0.004 . 2 . . . A 149 GLU HB2 . 19169 1 1844 . 1 1 149 149 GLU HB3 H 1 2.043 0.002 . 2 . . . A 149 GLU HB3 . 19169 1 1845 . 1 1 149 149 GLU HG2 H 1 2.379 0.001 . 1 . . . A 149 GLU HG2 . 19169 1 1846 . 1 1 149 149 GLU HG3 H 1 2.379 0.001 . 1 . . . A 149 GLU HG3 . 19169 1 1847 . 1 1 149 149 GLU C C 13 177.424 0.014 . 1 . . . A 149 GLU C . 19169 1 1848 . 1 1 149 149 GLU CA C 13 57.211 0.013 . 1 . . . A 149 GLU CA . 19169 1 1849 . 1 1 149 149 GLU CB C 13 29.753 0.012 . 1 . . . A 149 GLU CB . 19169 1 1850 . 1 1 149 149 GLU CG C 13 35.849 0.020 . 1 . . . A 149 GLU CG . 19169 1 1851 . 1 1 149 149 GLU N N 15 119.742 0.021 . 1 . . . A 149 GLU N . 19169 1 1852 . 1 1 150 150 GLY H H 1 8.159 0.003 . 1 . . . A 150 GLY H . 19169 1 1853 . 1 1 150 150 GLY HA2 H 1 3.982 0.005 . 2 . . . A 150 GLY HA2 . 19169 1 1854 . 1 1 150 150 GLY HA3 H 1 3.849 0.004 . 2 . . . A 150 GLY HA3 . 19169 1 1855 . 1 1 150 150 GLY C C 13 174.247 0.011 . 1 . . . A 150 GLY C . 19169 1 1856 . 1 1 150 150 GLY CA C 13 45.477 0.007 . 1 . . . A 150 GLY CA . 19169 1 1857 . 1 1 150 150 GLY N N 15 108.215 0.016 . 1 . . . A 150 GLY N . 19169 1 1858 . 1 1 151 151 HIS H H 1 8.172 0.004 . 1 . . . A 151 HIS H . 19169 1 1859 . 1 1 151 151 HIS C C 13 174.561 0.020 . 1 . . . A 151 HIS C . 19169 1 1860 . 1 1 151 151 HIS CA C 13 55.467 0.020 . 1 . . . A 151 HIS CA . 19169 1 1861 . 1 1 151 151 HIS CB C 13 28.982 0.020 . 1 . . . A 151 HIS CB . 19169 1 1862 . 1 1 151 151 HIS N N 15 117.714 0.016 . 1 . . . A 151 HIS N . 19169 1 1863 . 1 1 155 155 HIS HA H 1 4.652 0.005 . 1 . . . A 155 HIS HA . 19169 1 1864 . 1 1 155 155 HIS C C 13 173.557 0.003 . 1 . . . A 155 HIS C . 19169 1 1865 . 1 1 155 155 HIS CA C 13 55.602 0.010 . 1 . . . A 155 HIS CA . 19169 1 1866 . 1 1 155 155 HIS CB C 13 29.486 0.020 . 1 . . . A 155 HIS CB . 19169 1 1867 . 1 1 156 156 HIS H H 1 8.358 0.003 . 1 . . . A 156 HIS H . 19169 1 1868 . 1 1 156 156 HIS HA H 1 4.446 0.020 . 1 . . . A 156 HIS HA . 19169 1 1869 . 1 1 156 156 HIS HB2 H 1 3.138 0.020 . 2 . . . A 156 HIS HB2 . 19169 1 1870 . 1 1 156 156 HIS HB3 H 1 3.226 0.020 . 2 . . . A 156 HIS HB3 . 19169 1 1871 . 1 1 156 156 HIS C C 13 178.849 0.020 . 1 . . . A 156 HIS C . 19169 1 1872 . 1 1 156 156 HIS CA C 13 57.143 0.020 . 1 . . . A 156 HIS CA . 19169 1 1873 . 1 1 156 156 HIS CB C 13 29.671 0.020 . 1 . . . A 156 HIS CB . 19169 1 1874 . 1 1 156 156 HIS N N 15 125.438 0.012 . 1 . . . A 156 HIS N . 19169 1 stop_ save_