data_30043 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30043 _Entry.Title ; NMR solution structure of Mayaro virus macro domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-10 _Entry.Accession_date 2016-03-10 _Entry.Last_release_date 2016-12-08 _Entry.Original_release_date 2016-12-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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.ORCID _Entry_author.Entry_ID 1 E. Melekis E. . . . 30043 2 A. Tsika A. C. . . 30043 3 D. Bentrop D. . . . 30043 4 N. Papageorgiou N. . . . 30043 5 B. Coutard B. . . . 30043 6 G. Spyroulias G. A. . . 30043 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ADP ribose binding module' . 30043 Alphavirus . 30043 'Mayaro virus' . 30043 'NMR spectroscopy' . 30043 'Viral protein' . 30043 'viral macro domains' . 30043 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30043 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 441 30043 '15N chemical shifts' 136 30043 '1H chemical shifts' 917 30043 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 . . 2017-12-13 . original BMRB . 30043 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5IQ5 'BMRB Entry Tracking System' 30043 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30043 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-014-9572-0 _Citation.PubMed_ID 25217003 _Citation.Full_citation . _Citation.Title ; NMR study of non-structural proteins--part I: (1)H, (13)C, (15)N backbone and side-chain resonance assignment of macro domain from Mayaro virus (MAYV). ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 191 _Citation.Page_last 195 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 E. Melekis E. . . . 30043 1 2 A. Tsika A. C. . . 30043 1 3 J. Lichiere J. . . . 30043 1 4 C. Chasapis C. T. . . 30043 1 5 I. Margiolaki I. . . . 30043 1 6 N. Papageorgiou N. . . . 30043 1 7 B. Coutard B. . . . 30043 1 8 D. Bentrop D. . . . 30043 1 9 G. Spyroulias G. A. . . 30043 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 30043 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-014-9584-9 _Citation.PubMed_ID 25291978 _Citation.Full_citation . _Citation.Title ; NMR study of non-structural proteins--part II: (1)H, (13)C, (15)N backbone and side-chain resonance assignment of macro domain from Venezuelan equine encephalitis virus (VEEV). ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 247 _Citation.Page_last 251 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nicolas Papageorgiou N. . . . 30043 2 2 Yves Watier Y. . . . 30043 2 3 Lucy Saunders L. . . . 30043 2 4 Bruno Coutard B. . . . 30043 2 5 Violaine Lantez V. . . . 30043 2 6 Ernest Gould E. A. . . 30043 2 7 Andrew Fitch A. N. . . 30043 2 8 Jonathan Wright J. P. . . 30043 2 9 Bruno Canard B. . . . 30043 2 10 Irene Margiolaki I. . . . 30043 2 stop_ save_ save_citation_3 _Citation.Sf_category citations _Citation.Sf_framecode citation_3 _Citation.Entry_ID 30043 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1524/zkri.2010.1348 _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Preliminary insights into the non structural protein 3 macro domain of the Mayaro virus by powder diffraction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Zeitschfrift fur Kristallographie' _Citation.Journal_name_full . _Citation.Journal_volume 225 _Citation.Journal_issue . _Citation.Journal_ASTM ZKKKAJ _Citation.Journal_ISSN 0044-2968 _Citation.Journal_CSD 0005 _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 576 _Citation.Page_last 580 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 E. Melekis E. . . . 30043 3 2 A. Tsika A. C. . . 30043 3 3 D. Bentrop D. . . . 30043 3 4 N. Papageorgiou N. . . . 30043 3 5 B. Coutard B. . . . 30043 3 stop_ save_ save_citation_4 _Citation.Sf_category citations _Citation.Sf_framecode citation_4 _Citation.Entry_ID 30043 _Citation.ID 4 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR solution structure of Mayaro virus macro domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 E. Melekis E. . . . 30043 4 2 A. Tsika A. C. . . 30043 4 3 D. Bentrop D. . . . 30043 4 4 N. Papageorgiou N. . . . 30043 4 5 B. Coutard B. . . . 30043 4 6 G. Spyroulias G. A. . . 30043 4 7 E. Melekis E. . . . 30043 4 8 A. Tsika A. C. . . 30043 4 9 J. Lichiere J. . . . 30043 4 10 C. Chasapis C. T. . . 30043 4 11 I. Margiolaki I. . . . 30043 4 12 N. Papageorgiou N. . . . 30043 4 13 B. Coutard B. . . . 30043 4 14 D. Bentrop D. . . . 30043 4 15 G. Spyroulias G. A. . . 30043 4 16 G. Makrynitsa G. I. . . 30043 4 17 D. Ntonti D. . . . 30043 4 18 K. Marousis K. D. . . 30043 4 19 A. Tsika A. C. . . 30043 4 20 J. Lichiere J. . . . 30043 4 21 N. Papageorgiou N. . . . 30043 4 22 B. Coutard B. . . . 30043 4 23 D. Bentrop D. . . . 30043 4 24 G. Spyroulias G. A. . . 30043 4 25 N. Papageorgiou N. . . . 30043 4 26 Y. Watier Y. . . . 30043 4 27 L. Saunders L. . . . 30043 4 28 B. Coutard B. . . . 30043 4 29 V. Lantez V. . . . 30043 4 30 E. Gould E. A. . . 30043 4 31 A. Fitch A. N. . . 30043 4 32 J. Wright J. P. . . 30043 4 33 B. Canard B. . . . 30043 4 34 I. Margiolaki I. . . . 30043 4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30043 _Assembly.ID 1 _Assembly.Name 'Macro domain (E.C.2.1.1.-,2.7.7.-,3.1.3.33,3.4.22.-,3.6.1.15,3.6.4.13,2.7.7.48)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 entity_1 1 $entity_1 A A yes . . . . . . 30043 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30043 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MAPAYTVKRADIATAIEDAV VNAANHRGQVGDGVCRAVAR KWPQAFRNAATPVGTAKTVK CDETYIIHAVGPNFNNTSEA EGDRDLAAAYRAVAAEINRL SISSVAIPLLSTGIFSAGKD RVHQSLSHLLAAMDTTEARV TIYCRDKTWEQKIKTVLQNR HHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 166 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.1.1.-,2.7.7.-,3.1.3.33,3.4.22.-,3.6.1.15,3.6.4.13,2.7.7.48 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18147.494 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID P1234 na 30043 1 'Polyprotein nsP1234' na 30043 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 0 MET . 30043 1 2 1 ALA . 30043 1 3 2 PRO . 30043 1 4 3 ALA . 30043 1 5 4 TYR . 30043 1 6 5 THR . 30043 1 7 6 VAL . 30043 1 8 7 LYS . 30043 1 9 8 ARG . 30043 1 10 9 ALA . 30043 1 11 10 ASP . 30043 1 12 11 ILE . 30043 1 13 12 ALA . 30043 1 14 13 THR . 30043 1 15 14 ALA . 30043 1 16 15 ILE . 30043 1 17 16 GLU . 30043 1 18 17 ASP . 30043 1 19 18 ALA . 30043 1 20 19 VAL . 30043 1 21 20 VAL . 30043 1 22 21 ASN . 30043 1 23 22 ALA . 30043 1 24 23 ALA . 30043 1 25 24 ASN . 30043 1 26 25 HIS . 30043 1 27 26 ARG . 30043 1 28 27 GLY . 30043 1 29 28 GLN . 30043 1 30 29 VAL . 30043 1 31 30 GLY . 30043 1 32 31 ASP . 30043 1 33 32 GLY . 30043 1 34 33 VAL . 30043 1 35 34 CYS . 30043 1 36 35 ARG . 30043 1 37 36 ALA . 30043 1 38 37 VAL . 30043 1 39 38 ALA . 30043 1 40 39 ARG . 30043 1 41 40 LYS . 30043 1 42 41 TRP . 30043 1 43 42 PRO . 30043 1 44 43 GLN . 30043 1 45 44 ALA . 30043 1 46 45 PHE . 30043 1 47 46 ARG . 30043 1 48 47 ASN . 30043 1 49 48 ALA . 30043 1 50 49 ALA . 30043 1 51 50 THR . 30043 1 52 51 PRO . 30043 1 53 52 VAL . 30043 1 54 53 GLY . 30043 1 55 54 THR . 30043 1 56 55 ALA . 30043 1 57 56 LYS . 30043 1 58 57 THR . 30043 1 59 58 VAL . 30043 1 60 59 LYS . 30043 1 61 60 CYS . 30043 1 62 61 ASP . 30043 1 63 62 GLU . 30043 1 64 63 THR . 30043 1 65 64 TYR . 30043 1 66 65 ILE . 30043 1 67 66 ILE . 30043 1 68 67 HIS . 30043 1 69 68 ALA . 30043 1 70 69 VAL . 30043 1 71 70 GLY . 30043 1 72 71 PRO . 30043 1 73 72 ASN . 30043 1 74 73 PHE . 30043 1 75 74 ASN . 30043 1 76 75 ASN . 30043 1 77 76 THR . 30043 1 78 77 SER . 30043 1 79 78 GLU . 30043 1 80 79 ALA . 30043 1 81 80 GLU . 30043 1 82 81 GLY . 30043 1 83 82 ASP . 30043 1 84 83 ARG . 30043 1 85 84 ASP . 30043 1 86 85 LEU . 30043 1 87 86 ALA . 30043 1 88 87 ALA . 30043 1 89 88 ALA . 30043 1 90 89 TYR . 30043 1 91 90 ARG . 30043 1 92 91 ALA . 30043 1 93 92 VAL . 30043 1 94 93 ALA . 30043 1 95 94 ALA . 30043 1 96 95 GLU . 30043 1 97 96 ILE . 30043 1 98 97 ASN . 30043 1 99 98 ARG . 30043 1 100 99 LEU . 30043 1 101 100 SER . 30043 1 102 101 ILE . 30043 1 103 102 SER . 30043 1 104 103 SER . 30043 1 105 104 VAL . 30043 1 106 105 ALA . 30043 1 107 106 ILE . 30043 1 108 107 PRO . 30043 1 109 108 LEU . 30043 1 110 109 LEU . 30043 1 111 110 SER . 30043 1 112 111 THR . 30043 1 113 112 GLY . 30043 1 114 113 ILE . 30043 1 115 114 PHE . 30043 1 116 115 SER . 30043 1 117 116 ALA . 30043 1 118 117 GLY . 30043 1 119 118 LYS . 30043 1 120 119 ASP . 30043 1 121 120 ARG . 30043 1 122 121 VAL . 30043 1 123 122 HIS . 30043 1 124 123 GLN . 30043 1 125 124 SER . 30043 1 126 125 LEU . 30043 1 127 126 SER . 30043 1 128 127 HIS . 30043 1 129 128 LEU . 30043 1 130 129 LEU . 30043 1 131 130 ALA . 30043 1 132 131 ALA . 30043 1 133 132 MET . 30043 1 134 133 ASP . 30043 1 135 134 THR . 30043 1 136 135 THR . 30043 1 137 136 GLU . 30043 1 138 137 ALA . 30043 1 139 138 ARG . 30043 1 140 139 VAL . 30043 1 141 140 THR . 30043 1 142 141 ILE . 30043 1 143 142 TYR . 30043 1 144 143 CYS . 30043 1 145 144 ARG . 30043 1 146 145 ASP . 30043 1 147 146 LYS . 30043 1 148 147 THR . 30043 1 149 148 TRP . 30043 1 150 149 GLU . 30043 1 151 150 GLN . 30043 1 152 151 LYS . 30043 1 153 152 ILE . 30043 1 154 153 LYS . 30043 1 155 154 THR . 30043 1 156 155 VAL . 30043 1 157 156 LEU . 30043 1 158 157 GLN . 30043 1 159 158 ASN . 30043 1 160 159 ARG . 30043 1 161 160 HIS . 30043 1 162 161 HIS . 30043 1 163 162 HIS . 30043 1 164 163 HIS . 30043 1 165 164 HIS . 30043 1 166 165 HIS . 30043 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 30043 1 . ALA 2 2 30043 1 . PRO 3 3 30043 1 . ALA 4 4 30043 1 . TYR 5 5 30043 1 . THR 6 6 30043 1 . VAL 7 7 30043 1 . LYS 8 8 30043 1 . ARG 9 9 30043 1 . ALA 10 10 30043 1 . ASP 11 11 30043 1 . ILE 12 12 30043 1 . ALA 13 13 30043 1 . THR 14 14 30043 1 . ALA 15 15 30043 1 . ILE 16 16 30043 1 . GLU 17 17 30043 1 . ASP 18 18 30043 1 . ALA 19 19 30043 1 . VAL 20 20 30043 1 . VAL 21 21 30043 1 . ASN 22 22 30043 1 . ALA 23 23 30043 1 . ALA 24 24 30043 1 . ASN 25 25 30043 1 . HIS 26 26 30043 1 . ARG 27 27 30043 1 . GLY 28 28 30043 1 . GLN 29 29 30043 1 . VAL 30 30 30043 1 . GLY 31 31 30043 1 . ASP 32 32 30043 1 . GLY 33 33 30043 1 . VAL 34 34 30043 1 . CYS 35 35 30043 1 . ARG 36 36 30043 1 . ALA 37 37 30043 1 . VAL 38 38 30043 1 . ALA 39 39 30043 1 . ARG 40 40 30043 1 . LYS 41 41 30043 1 . TRP 42 42 30043 1 . PRO 43 43 30043 1 . GLN 44 44 30043 1 . ALA 45 45 30043 1 . PHE 46 46 30043 1 . ARG 47 47 30043 1 . ASN 48 48 30043 1 . ALA 49 49 30043 1 . ALA 50 50 30043 1 . THR 51 51 30043 1 . PRO 52 52 30043 1 . VAL 53 53 30043 1 . GLY 54 54 30043 1 . THR 55 55 30043 1 . ALA 56 56 30043 1 . LYS 57 57 30043 1 . THR 58 58 30043 1 . VAL 59 59 30043 1 . LYS 60 60 30043 1 . CYS 61 61 30043 1 . ASP 62 62 30043 1 . GLU 63 63 30043 1 . THR 64 64 30043 1 . TYR 65 65 30043 1 . ILE 66 66 30043 1 . ILE 67 67 30043 1 . HIS 68 68 30043 1 . ALA 69 69 30043 1 . VAL 70 70 30043 1 . GLY 71 71 30043 1 . PRO 72 72 30043 1 . ASN 73 73 30043 1 . PHE 74 74 30043 1 . ASN 75 75 30043 1 . ASN 76 76 30043 1 . THR 77 77 30043 1 . SER 78 78 30043 1 . GLU 79 79 30043 1 . ALA 80 80 30043 1 . GLU 81 81 30043 1 . GLY 82 82 30043 1 . ASP 83 83 30043 1 . ARG 84 84 30043 1 . ASP 85 85 30043 1 . LEU 86 86 30043 1 . ALA 87 87 30043 1 . ALA 88 88 30043 1 . ALA 89 89 30043 1 . TYR 90 90 30043 1 . ARG 91 91 30043 1 . ALA 92 92 30043 1 . VAL 93 93 30043 1 . ALA 94 94 30043 1 . ALA 95 95 30043 1 . GLU 96 96 30043 1 . ILE 97 97 30043 1 . ASN 98 98 30043 1 . ARG 99 99 30043 1 . LEU 100 100 30043 1 . SER 101 101 30043 1 . ILE 102 102 30043 1 . SER 103 103 30043 1 . SER 104 104 30043 1 . VAL 105 105 30043 1 . ALA 106 106 30043 1 . ILE 107 107 30043 1 . PRO 108 108 30043 1 . LEU 109 109 30043 1 . LEU 110 110 30043 1 . SER 111 111 30043 1 . THR 112 112 30043 1 . GLY 113 113 30043 1 . ILE 114 114 30043 1 . PHE 115 115 30043 1 . SER 116 116 30043 1 . ALA 117 117 30043 1 . GLY 118 118 30043 1 . LYS 119 119 30043 1 . ASP 120 120 30043 1 . ARG 121 121 30043 1 . VAL 122 122 30043 1 . HIS 123 123 30043 1 . GLN 124 124 30043 1 . SER 125 125 30043 1 . LEU 126 126 30043 1 . SER 127 127 30043 1 . HIS 128 128 30043 1 . LEU 129 129 30043 1 . LEU 130 130 30043 1 . ALA 131 131 30043 1 . ALA 132 132 30043 1 . MET 133 133 30043 1 . ASP 134 134 30043 1 . THR 135 135 30043 1 . THR 136 136 30043 1 . GLU 137 137 30043 1 . ALA 138 138 30043 1 . ARG 139 139 30043 1 . VAL 140 140 30043 1 . THR 141 141 30043 1 . ILE 142 142 30043 1 . TYR 143 143 30043 1 . CYS 144 144 30043 1 . ARG 145 145 30043 1 . ASP 146 146 30043 1 . LYS 147 147 30043 1 . THR 148 148 30043 1 . TRP 149 149 30043 1 . GLU 150 150 30043 1 . GLN 151 151 30043 1 . LYS 152 152 30043 1 . ILE 153 153 30043 1 . LYS 154 154 30043 1 . THR 155 155 30043 1 . VAL 156 156 30043 1 . LEU 157 157 30043 1 . GLN 158 158 30043 1 . ASN 159 159 30043 1 . ARG 160 160 30043 1 . HIS 161 161 30043 1 . HIS 162 162 30043 1 . HIS 163 163 30043 1 . HIS 164 164 30043 1 . HIS 165 165 30043 1 . HIS 166 166 30043 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 30043 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 374990 organism . 'Mayaro virus (strain Brazil)' MAYV . . Viruses . Alphavirus 'Mayaro virus' . . . . . . . . . . . . . 30043 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 30043 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . 'Gateway cloning system' 469008 . . . 'Rosetta 2, pLysS, DL39' . plasmid . . pDest14 . . . 30043 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30043 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.4 mM Mayaro virus' macro domain, 90% H2O/10% D2O" _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 "Mayaro virus' macro domain" 'natural abundance' . . 1 $entity_1 . . 0.4 . . mM . . . . 30043 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30043 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.4 mM [U-99% 15N] Mayaro virus' macro domain, 90% H2O/10% D2O" _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 "Mayaro virus' macro domain" '[U-99% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 30043 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30043 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.4 mM [U-99% 13C; U-99% 15N] Mayaro virus' macro domain, 90% H2O/10% D2O" _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 "Mayaro virus' macro domain" '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 30043 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30043 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.4 mM [U-15N]-Ala-Leu-Val Mayaro virus' macro domain, 90% H2O/10% D2O" _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 "Mayaro virus' macro domain" [U-15N]-Ala-Leu-Val . . 1 $entity_1 . . 0.4 . . mM . . . . 30043 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30043 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.4 mM [U-14N]-Arg Mayaro virus' macro domain, 90% H2O/10% D2O" _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 "Mayaro virus' macro domain" [U-14N]-Arg . . 1 $entity_1 . . 0.4 . . mM . . . . 30043 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 30043 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.4 mM [U-14N]-Asn-Cys Mayaro virus' macro domain, 90% H2O/10% D2O" _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 "Mayaro virus' macro domain" [U-14N]-Asn-Cys . . 1 $entity_1 . . 0.4 . . mM . . . . 30043 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 30043 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.4 mM [U-100% 13C; U-100% 15N; U-80% 2H] Mayaro virus' macro domain, 90% H2O/10% D2O ; _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 "Mayaro virus' macro domain" '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 0.4 . . mM . . . . 30043 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 30043 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details "0.5 mM Mayaro virus' macro domain, 90% H2O/10% D2O" _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 "Mayaro virus' macro domain" 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM . . . . 30043 8 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 30043 _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' 20 . mM 30043 1 pH 7 . pH 30043 1 pressure 1 . atm 30043 1 temperature 298 . K 30043 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 30043 _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' 20 . mM 30043 2 pH 7 . pH 30043 2 pressure 1 . atm 30043 2 temperature 298 . K 30043 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30043 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30043 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30043 1 processing 30043 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30043 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30043 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30043 2 processing 30043 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30043 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version 1.5.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30043 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30043 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30043 _Software.ID 4 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 30043 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30043 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30043 _Software.ID 5 _Software.Type . _Software.Name DYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 30043 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30043 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30043 _Software.ID 6 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30043 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30043 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30043 _Software.ID 7 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 30043 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30043 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30043 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; equipped with a cryogenically cooled pulsed-field gradient triple-resonance probe (TXI) ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker Avance' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30043 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with a cryogenically cooled 5 mm 1H/13C/15N/D Z-gradient probe (TCI)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker Avance III High-Definition four-channel' _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 30043 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'Bruker Avance' . 600 . . . 30043 1 2 NMR_spectrometer_2 Bruker 'Bruker Avance III High-Definition four-channel' . 700 . . . 30043 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 30043 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30043 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30043 1 5 '3D HNCACB' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30043 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 8 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 9 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 10 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 11 '2D 1H-15N HSQC TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 12 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 14 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 17 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 18 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 19 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 20 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 21 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30043 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30043 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30043 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30043 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30043 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30043 _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 $chem_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 2 '2D 1H-15N HSQC' . . . 30043 1 3 '3D CBCA(CO)NH' . . . 30043 1 4 '2D 1H-15N HSQC' . . . 30043 1 5 '2D 1H-15N HSQC' . . . 30043 1 6 '3D HNCACB' . . . 30043 1 8 '3D HBHA(CO)NH' . . . 30043 1 9 '3D HNCACB' . . . 30043 1 10 '3D HNCA' . . . 30043 1 11 '3D HNCO' . . . 30043 1 12 '2D 1H-15N HSQC TROSY' . . . 30043 1 13 '3D HN(CO)CA' . . . 30043 1 14 '3D HCCH-TOCSY' . . . 30043 1 15 '3D HNHA' . . . 30043 1 20 '3D HN(CA)CO' . . . 30043 1 21 '2D 1H-13C HSQC' . . . 30043 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 30043 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO HA H 1 4.278 0.02 . 1 . . . . . 2 PRO HA . 30043 1 2 . 1 1 3 3 PRO HB2 H 1 1.852 0.02 . 2 . . . . . 2 PRO HB2 . 30043 1 3 . 1 1 3 3 PRO HB3 H 1 0.947 0.02 . 2 . . . . . 2 PRO HB3 . 30043 1 4 . 1 1 3 3 PRO HG2 H 1 2.136 0.02 . 2 . . . . . 2 PRO HG2 . 30043 1 5 . 1 1 3 3 PRO HG3 H 1 1.51 0.02 . 2 . . . . . 2 PRO HG3 . 30043 1 6 . 1 1 3 3 PRO HD2 H 1 4.265 0.02 . 2 . . . . . 2 PRO HD2 . 30043 1 7 . 1 1 3 3 PRO HD3 H 1 3.898 0.02 . 2 . . . . . 2 PRO HD3 . 30043 1 8 . 1 1 3 3 PRO CA C 13 62.56 0.3 . 1 . . . . . 2 PRO CA . 30043 1 9 . 1 1 3 3 PRO CB C 13 32.775 0.3 . 1 . . . . . 2 PRO CB . 30043 1 10 . 1 1 3 3 PRO CG C 13 26.716 0.3 . 1 . . . . . 2 PRO CG . 30043 1 11 . 1 1 3 3 PRO CD C 13 49.819 0.3 . 1 . . . . . 2 PRO CD . 30043 1 12 . 1 1 4 4 ALA H H 1 7.458 0.02 . 1 . . . . . 3 ALA H . 30043 1 13 . 1 1 4 4 ALA HA H 1 4.562 0.02 . 1 . . . . . 3 ALA HA . 30043 1 14 . 1 1 4 4 ALA HB1 H 1 1.184 0.02 . 1 . . . . . 3 ALA HB1 . 30043 1 15 . 1 1 4 4 ALA HB2 H 1 1.184 0.02 . 1 . . . . . 3 ALA HB2 . 30043 1 16 . 1 1 4 4 ALA HB3 H 1 1.184 0.02 . 1 . . . . . 3 ALA HB3 . 30043 1 17 . 1 1 4 4 ALA CA C 13 50.436 0.3 . 1 . . . . . 3 ALA CA . 30043 1 18 . 1 1 4 4 ALA CB C 13 20.857 0.3 . 1 . . . . . 3 ALA CB . 30043 1 19 . 1 1 4 4 ALA N N 15 122.382 0.3 . 1 . . . . . 3 ALA N . 30043 1 20 . 1 1 5 5 TYR H H 1 8.667 0.02 . 1 . . . . . 4 TYR H . 30043 1 21 . 1 1 5 5 TYR HA H 1 5.561 0.02 . 1 . . . . . 4 TYR HA . 30043 1 22 . 1 1 5 5 TYR HB2 H 1 2.658 0.02 . 1 . . . . . 4 TYR HB2 . 30043 1 23 . 1 1 5 5 TYR HB3 H 1 2.658 0.02 . 1 . . . . . 4 TYR HB3 . 30043 1 24 . 1 1 5 5 TYR CA C 13 57.588 0.3 . 1 . . . . . 4 TYR CA . 30043 1 25 . 1 1 5 5 TYR CB C 13 42.709 0.3 . 1 . . . . . 4 TYR CB . 30043 1 26 . 1 1 5 5 TYR N N 15 122.144 0.3 . 1 . . . . . 4 TYR N . 30043 1 27 . 1 1 6 6 THR H H 1 8.886 0.02 . 1 . . . . . 5 THR H . 30043 1 28 . 1 1 6 6 THR HA H 1 4.468 0.02 . 1 . . . . . 5 THR HA . 30043 1 29 . 1 1 6 6 THR HB H 1 4.04 0.02 . 1 . . . . . 5 THR HB . 30043 1 30 . 1 1 6 6 THR CA C 13 60.435 0.3 . 1 . . . . . 5 THR CA . 30043 1 31 . 1 1 6 6 THR CB C 13 72.148 0.3 . 1 . . . . . 5 THR CB . 30043 1 32 . 1 1 6 6 THR N N 15 116.136 0.3 . 1 . . . . . 5 THR N . 30043 1 33 . 1 1 7 7 VAL H H 1 8.451 0.02 . 1 . . . . . 6 VAL H . 30043 1 34 . 1 1 7 7 VAL HA H 1 5.184 0.02 . 1 . . . . . 6 VAL HA . 30043 1 35 . 1 1 7 7 VAL HB H 1 1.755 0.02 . 1 . . . . . 6 VAL HB . 30043 1 36 . 1 1 7 7 VAL HG11 H 1 0.85 0.02 . 1 . . . . . 6 VAL HG11 . 30043 1 37 . 1 1 7 7 VAL HG12 H 1 0.85 0.02 . 1 . . . . . 6 VAL HG12 . 30043 1 38 . 1 1 7 7 VAL HG13 H 1 0.85 0.02 . 1 . . . . . 6 VAL HG13 . 30043 1 39 . 1 1 7 7 VAL HG21 H 1 0.803 0.02 . 1 . . . . . 6 VAL HG21 . 30043 1 40 . 1 1 7 7 VAL HG22 H 1 0.803 0.02 . 1 . . . . . 6 VAL HG22 . 30043 1 41 . 1 1 7 7 VAL HG23 H 1 0.803 0.02 . 1 . . . . . 6 VAL HG23 . 30043 1 42 . 1 1 7 7 VAL CA C 13 59.1 0.3 . 1 . . . . . 6 VAL CA . 30043 1 43 . 1 1 7 7 VAL CB C 13 34.349 0.3 . 1 . . . . . 6 VAL CB . 30043 1 44 . 1 1 7 7 VAL CG1 C 13 20.566 0.3 . 1 . . . . . 6 VAL CG1 . 30043 1 45 . 1 1 7 7 VAL CG2 C 13 23.035 0.3 . 1 . . . . . 6 VAL CG2 . 30043 1 46 . 1 1 7 7 VAL N N 15 121.038 0.3 . 1 . . . . . 6 VAL N . 30043 1 47 . 1 1 8 8 LYS H H 1 8.989 0.02 . 1 . . . . . 7 LYS H . 30043 1 48 . 1 1 8 8 LYS HA H 1 4.28 0.02 . 1 . . . . . 7 LYS HA . 30043 1 49 . 1 1 8 8 LYS HB2 H 1 0.77 0.02 . 2 . . . . . 7 LYS HB2 . 30043 1 50 . 1 1 8 8 LYS HB3 H 1 0.659 0.02 . 2 . . . . . 7 LYS HB3 . 30043 1 51 . 1 1 8 8 LYS HG2 H 1 0.848 0.02 . 1 . . . . . 7 LYS HG2 . 30043 1 52 . 1 1 8 8 LYS HG3 H 1 0.848 0.02 . 1 . . . . . 7 LYS HG3 . 30043 1 53 . 1 1 8 8 LYS HD2 H 1 1.326 0.02 . 1 . . . . . 7 LYS HD2 . 30043 1 54 . 1 1 8 8 LYS HD3 H 1 1.326 0.02 . 1 . . . . . 7 LYS HD3 . 30043 1 55 . 1 1 8 8 LYS HE2 H 1 2.866 0.02 . 2 . . . . . 7 LYS HE2 . 30043 1 56 . 1 1 8 8 LYS HE3 H 1 2.706 0.02 . 2 . . . . . 7 LYS HE3 . 30043 1 57 . 1 1 8 8 LYS CA C 13 54.548 0.3 . 1 . . . . . 7 LYS CA . 30043 1 58 . 1 1 8 8 LYS CB C 13 35.973 0.3 . 1 . . . . . 7 LYS CB . 30043 1 59 . 1 1 8 8 LYS CG C 13 24.748 0.3 . 1 . . . . . 7 LYS CG . 30043 1 60 . 1 1 8 8 LYS CD C 13 28.973 0.3 . 1 . . . . . 7 LYS CD . 30043 1 61 . 1 1 8 8 LYS CE C 13 41.695 0.3 . 1 . . . . . 7 LYS CE . 30043 1 62 . 1 1 8 8 LYS N N 15 129.646 0.3 . 1 . . . . . 7 LYS N . 30043 1 63 . 1 1 9 9 ARG H H 1 8.51 0.02 . 1 . . . . . 8 ARG H . 30043 1 64 . 1 1 9 9 ARG HA H 1 5.135 0.02 . 1 . . . . . 8 ARG HA . 30043 1 65 . 1 1 9 9 ARG HB2 H 1 1.85 0.02 . 2 . . . . . 8 ARG HB2 . 30043 1 66 . 1 1 9 9 ARG HB3 H 1 0.994 0.02 . 2 . . . . . 8 ARG HB3 . 30043 1 67 . 1 1 9 9 ARG HG2 H 1 1.276 0.02 . 2 . . . . . 8 ARG HG2 . 30043 1 68 . 1 1 9 9 ARG HG3 H 1 1.089 0.02 . 2 . . . . . 8 ARG HG3 . 30043 1 69 . 1 1 9 9 ARG HD2 H 1 2.993 0.02 . 2 . . . . . 8 ARG HD2 . 30043 1 70 . 1 1 9 9 ARG HD3 H 1 2.833 0.02 . 2 . . . . . 8 ARG HD3 . 30043 1 71 . 1 1 9 9 ARG CA C 13 53.312 0.3 . 1 . . . . . 8 ARG CA . 30043 1 72 . 1 1 9 9 ARG CB C 13 29.328 0.3 . 1 . . . . . 8 ARG CB . 30043 1 73 . 1 1 9 9 ARG CG C 13 27.222 0.3 . 1 . . . . . 8 ARG CG . 30043 1 74 . 1 1 9 9 ARG CD C 13 42.956 0.3 . 1 . . . . . 8 ARG CD . 30043 1 75 . 1 1 9 9 ARG N N 15 128.377 0.3 . 1 . . . . . 8 ARG N . 30043 1 76 . 1 1 10 10 ALA H H 1 8.196 0.02 . 1 . . . . . 9 ALA H . 30043 1 77 . 1 1 10 10 ALA HA H 1 4.419 0.02 . 1 . . . . . 9 ALA HA . 30043 1 78 . 1 1 10 10 ALA HB1 H 1 1.279 0.02 . 1 . . . . . 9 ALA HB1 . 30043 1 79 . 1 1 10 10 ALA HB2 H 1 1.279 0.02 . 1 . . . . . 9 ALA HB2 . 30043 1 80 . 1 1 10 10 ALA HB3 H 1 1.279 0.02 . 1 . . . . . 9 ALA HB3 . 30043 1 81 . 1 1 10 10 ALA CA C 13 50.887 0.3 . 1 . . . . . 9 ALA CA . 30043 1 82 . 1 1 10 10 ALA CB C 13 21.89 0.3 . 1 . . . . . 9 ALA CB . 30043 1 83 . 1 1 10 10 ALA N N 15 127.353 0.3 . 1 . . . . . 9 ALA N . 30043 1 84 . 1 1 11 11 ASP H H 1 8.619 0.02 . 1 . . . . . 10 ASP H . 30043 1 85 . 1 1 11 11 ASP HA H 1 4.707 0.02 . 1 . . . . . 10 ASP HA . 30043 1 86 . 1 1 11 11 ASP HB2 H 1 2.704 0.02 . 2 . . . . . 10 ASP HB2 . 30043 1 87 . 1 1 11 11 ASP HB3 H 1 2.564 0.02 . 2 . . . . . 10 ASP HB3 . 30043 1 88 . 1 1 11 11 ASP CA C 13 53.584 0.3 . 1 . . . . . 10 ASP CA . 30043 1 89 . 1 1 11 11 ASP CB C 13 41.765 0.3 . 1 . . . . . 10 ASP CB . 30043 1 90 . 1 1 11 11 ASP N N 15 119.635 0.3 . 1 . . . . . 10 ASP N . 30043 1 91 . 1 1 12 12 ILE H H 1 8.627 0.02 . 1 . . . . . 11 ILE H . 30043 1 92 . 1 1 12 12 ILE HB H 1 1.95 0.02 . 1 . . . . . 11 ILE HB . 30043 1 93 . 1 1 12 12 ILE HG12 H 1 1.404 0.02 . 2 . . . . . 11 ILE HG12 . 30043 1 94 . 1 1 12 12 ILE HG13 H 1 1.265 0.02 . 2 . . . . . 11 ILE HG13 . 30043 1 95 . 1 1 12 12 ILE HG21 H 1 0.95 0.02 . 1 . . . . . 11 ILE HG21 . 30043 1 96 . 1 1 12 12 ILE HG22 H 1 0.95 0.02 . 1 . . . . . 11 ILE HG22 . 30043 1 97 . 1 1 12 12 ILE HG23 H 1 0.95 0.02 . 1 . . . . . 11 ILE HG23 . 30043 1 98 . 1 1 12 12 ILE HD11 H 1 0.803 0.02 . 1 . . . . . 11 ILE HD11 . 30043 1 99 . 1 1 12 12 ILE HD12 H 1 0.803 0.02 . 1 . . . . . 11 ILE HD12 . 30043 1 100 . 1 1 12 12 ILE HD13 H 1 0.803 0.02 . 1 . . . . . 11 ILE HD13 . 30043 1 101 . 1 1 12 12 ILE CA C 13 64.192 0.3 . 1 . . . . . 11 ILE CA . 30043 1 102 . 1 1 12 12 ILE CB C 13 37.745 0.3 . 1 . . . . . 11 ILE CB . 30043 1 103 . 1 1 12 12 ILE CG1 C 13 27.745 0.3 . 1 . . . . . 11 ILE CG1 . 30043 1 104 . 1 1 12 12 ILE CG2 C 13 17.736 0.3 . 1 . . . . . 11 ILE CG2 . 30043 1 105 . 1 1 12 12 ILE CD1 C 13 13.64 0.3 . 1 . . . . . 11 ILE CD1 . 30043 1 106 . 1 1 12 12 ILE N N 15 134.024 0.3 . 1 . . . . . 11 ILE N . 30043 1 107 . 1 1 13 13 ALA H H 1 8.27 0.02 . 1 . . . . . 12 ALA H . 30043 1 108 . 1 1 13 13 ALA HA H 1 4.192 0.02 . 1 . . . . . 12 ALA HA . 30043 1 109 . 1 1 13 13 ALA HB1 H 1 1.184 0.02 . 1 . . . . . 12 ALA HB1 . 30043 1 110 . 1 1 13 13 ALA HB2 H 1 1.184 0.02 . 1 . . . . . 12 ALA HB2 . 30043 1 111 . 1 1 13 13 ALA HB3 H 1 1.184 0.02 . 1 . . . . . 12 ALA HB3 . 30043 1 112 . 1 1 13 13 ALA CA C 13 53.548 0.3 . 1 . . . . . 12 ALA CA . 30043 1 113 . 1 1 13 13 ALA CB C 13 18.225 0.3 . 1 . . . . . 12 ALA CB . 30043 1 114 . 1 1 13 13 ALA N N 15 123.017 0.3 . 1 . . . . . 12 ALA N . 30043 1 115 . 1 1 14 14 THR H H 1 7.984 0.02 . 1 . . . . . 13 THR H . 30043 1 116 . 1 1 14 14 THR HA H 1 4.279 0.02 . 1 . . . . . 13 THR HA . 30043 1 117 . 1 1 14 14 THR HB H 1 4.42 0.02 . 1 . . . . . 13 THR HB . 30043 1 118 . 1 1 14 14 THR HG21 H 1 1.139 0.02 . 1 . . . . . 13 THR HG21 . 30043 1 119 . 1 1 14 14 THR HG22 H 1 1.139 0.02 . 1 . . . . . 13 THR HG22 . 30043 1 120 . 1 1 14 14 THR HG23 H 1 1.139 0.02 . 1 . . . . . 13 THR HG23 . 30043 1 121 . 1 1 14 14 THR CA C 13 60.96 0.3 . 1 . . . . . 13 THR CA . 30043 1 122 . 1 1 14 14 THR CB C 13 69.726 0.3 . 1 . . . . . 13 THR CB . 30043 1 123 . 1 1 14 14 THR CG2 C 13 21.367 0.3 . 1 . . . . . 13 THR CG2 . 30043 1 124 . 1 1 14 14 THR N N 15 107.766 0.3 . 1 . . . . . 13 THR N . 30043 1 125 . 1 1 15 15 ALA H H 1 7.656 0.02 . 1 . . . . . 14 ALA H . 30043 1 126 . 1 1 15 15 ALA HA H 1 4.373 0.02 . 1 . . . . . 14 ALA HA . 30043 1 127 . 1 1 15 15 ALA HB1 H 1 1.375 0.02 . 1 . . . . . 14 ALA HB1 . 30043 1 128 . 1 1 15 15 ALA HB2 H 1 1.375 0.02 . 1 . . . . . 14 ALA HB2 . 30043 1 129 . 1 1 15 15 ALA HB3 H 1 1.375 0.02 . 1 . . . . . 14 ALA HB3 . 30043 1 130 . 1 1 15 15 ALA CA C 13 53.875 0.3 . 1 . . . . . 14 ALA CA . 30043 1 131 . 1 1 15 15 ALA CB C 13 19.919 0.3 . 1 . . . . . 14 ALA CB . 30043 1 132 . 1 1 15 15 ALA N N 15 126.267 0.3 . 1 . . . . . 14 ALA N . 30043 1 133 . 1 1 16 16 ILE H H 1 6.891 0.02 . 1 . . . . . 15 ILE H . 30043 1 134 . 1 1 16 16 ILE HA H 1 4.405 0.02 . 1 . . . . . 15 ILE HA . 30043 1 135 . 1 1 16 16 ILE HB H 1 2.086 0.02 . 1 . . . . . 15 ILE HB . 30043 1 136 . 1 1 16 16 ILE HG12 H 1 1.091 0.02 . 1 . . . . . 15 ILE HG12 . 30043 1 137 . 1 1 16 16 ILE HG13 H 1 1.091 0.02 . 1 . . . . . 15 ILE HG13 . 30043 1 138 . 1 1 16 16 ILE HG21 H 1 0.9 0.02 . 1 . . . . . 15 ILE HG21 . 30043 1 139 . 1 1 16 16 ILE HG22 H 1 0.9 0.02 . 1 . . . . . 15 ILE HG22 . 30043 1 140 . 1 1 16 16 ILE HG23 H 1 0.9 0.02 . 1 . . . . . 15 ILE HG23 . 30043 1 141 . 1 1 16 16 ILE HD11 H 1 0.756 0.02 . 1 . . . . . 15 ILE HD11 . 30043 1 142 . 1 1 16 16 ILE HD12 H 1 0.756 0.02 . 1 . . . . . 15 ILE HD12 . 30043 1 143 . 1 1 16 16 ILE HD13 H 1 0.756 0.02 . 1 . . . . . 15 ILE HD13 . 30043 1 144 . 1 1 16 16 ILE CA C 13 59.931 0.3 . 1 . . . . . 15 ILE CA . 30043 1 145 . 1 1 16 16 ILE CB C 13 38.542 0.3 . 1 . . . . . 15 ILE CB . 30043 1 146 . 1 1 16 16 ILE CG1 C 13 25.745 0.3 . 1 . . . . . 15 ILE CG1 . 30043 1 147 . 1 1 16 16 ILE CG2 C 13 18.287 0.3 . 1 . . . . . 15 ILE CG2 . 30043 1 148 . 1 1 16 16 ILE CD1 C 13 13.936 0.3 . 1 . . . . . 15 ILE CD1 . 30043 1 149 . 1 1 16 16 ILE N N 15 113.289 0.3 . 1 . . . . . 15 ILE N . 30043 1 150 . 1 1 17 17 GLU H H 1 8.339 0.02 . 1 . . . . . 16 GLU H . 30043 1 151 . 1 1 17 17 GLU HA H 1 3.94 0.02 . 1 . . . . . 16 GLU HA . 30043 1 152 . 1 1 17 17 GLU HB2 H 1 2.044 0.02 . 1 . . . . . 16 GLU HB2 . 30043 1 153 . 1 1 17 17 GLU HB3 H 1 2.044 0.02 . 1 . . . . . 16 GLU HB3 . 30043 1 154 . 1 1 17 17 GLU HG2 H 1 2.516 0.02 . 2 . . . . . 16 GLU HG2 . 30043 1 155 . 1 1 17 17 GLU HG3 H 1 2.231 0.02 . 2 . . . . . 16 GLU HG3 . 30043 1 156 . 1 1 17 17 GLU CA C 13 58.602 0.3 . 1 . . . . . 16 GLU CA . 30043 1 157 . 1 1 17 17 GLU CB C 13 29.714 0.3 . 1 . . . . . 16 GLU CB . 30043 1 158 . 1 1 17 17 GLU CG C 13 38.901 0.3 . 1 . . . . . 16 GLU CG . 30043 1 159 . 1 1 17 17 GLU N N 15 124.547 0.3 . 1 . . . . . 16 GLU N . 30043 1 160 . 1 1 18 18 ASP H H 1 7.848 0.02 . 1 . . . . . 17 ASP H . 30043 1 161 . 1 1 18 18 ASP HA H 1 4.325 0.02 . 1 . . . . . 17 ASP HA . 30043 1 162 . 1 1 18 18 ASP CA C 13 56.879 0.3 . 1 . . . . . 17 ASP CA . 30043 1 163 . 1 1 18 18 ASP CB C 13 41.488 0.3 . 1 . . . . . 17 ASP CB . 30043 1 164 . 1 1 18 18 ASP N N 15 119.442 0.3 . 1 . . . . . 17 ASP N . 30043 1 165 . 1 1 19 19 ALA H H 1 7.635 0.02 . 1 . . . . . 18 ALA H . 30043 1 166 . 1 1 19 19 ALA HA H 1 5.562 0.02 . 1 . . . . . 18 ALA HA . 30043 1 167 . 1 1 19 19 ALA HB1 H 1 1.233 0.02 . 1 . . . . . 18 ALA HB1 . 30043 1 168 . 1 1 19 19 ALA HB2 H 1 1.233 0.02 . 1 . . . . . 18 ALA HB2 . 30043 1 169 . 1 1 19 19 ALA HB3 H 1 1.233 0.02 . 1 . . . . . 18 ALA HB3 . 30043 1 170 . 1 1 19 19 ALA C C 13 174.636 0.3 . 1 . . . . . 18 ALA C . 30043 1 171 . 1 1 19 19 ALA CA C 13 48.792 0.3 . 1 . . . . . 18 ALA CA . 30043 1 172 . 1 1 19 19 ALA CB C 13 23.812 0.3 . 1 . . . . . 18 ALA CB . 30043 1 173 . 1 1 19 19 ALA N N 15 117.708 0.3 . 1 . . . . . 18 ALA N . 30043 1 174 . 1 1 20 20 VAL H H 1 8.656 0.02 . 1 . . . . . 19 VAL H . 30043 1 175 . 1 1 20 20 VAL HA H 1 4.327 0.02 . 1 . . . . . 19 VAL HA . 30043 1 176 . 1 1 20 20 VAL HB H 1 1.199 0.02 . 1 . . . . . 19 VAL HB . 30043 1 177 . 1 1 20 20 VAL HG11 H 1 0.424 0.02 . 1 . . . . . 19 VAL HG11 . 30043 1 178 . 1 1 20 20 VAL HG12 H 1 0.424 0.02 . 1 . . . . . 19 VAL HG12 . 30043 1 179 . 1 1 20 20 VAL HG13 H 1 0.424 0.02 . 1 . . . . . 19 VAL HG13 . 30043 1 180 . 1 1 20 20 VAL HG21 H 1 0.424 0.02 . 1 . . . . . 19 VAL HG21 . 30043 1 181 . 1 1 20 20 VAL HG22 H 1 0.424 0.02 . 1 . . . . . 19 VAL HG22 . 30043 1 182 . 1 1 20 20 VAL HG23 H 1 0.424 0.02 . 1 . . . . . 19 VAL HG23 . 30043 1 183 . 1 1 20 20 VAL CA C 13 60.642 0.3 . 1 . . . . . 19 VAL CA . 30043 1 184 . 1 1 20 20 VAL CB C 13 34.865 0.3 . 1 . . . . . 19 VAL CB . 30043 1 185 . 1 1 20 20 VAL CG1 C 13 20.052 0.3 . 1 . . . . . 19 VAL CG1 . 30043 1 186 . 1 1 20 20 VAL CG2 C 13 20.624 0.3 . 1 . . . . . 19 VAL CG2 . 30043 1 187 . 1 1 20 20 VAL N N 15 122.554 0.3 . 1 . . . . . 19 VAL N . 30043 1 188 . 1 1 21 21 VAL H H 1 8.681 0.02 . 1 . . . . . 20 VAL H . 30043 1 189 . 1 1 21 21 VAL HA H 1 4.611 0.02 . 1 . . . . . 20 VAL HA . 30043 1 190 . 1 1 21 21 VAL HB H 1 1.193 0.02 . 1 . . . . . 20 VAL HB . 30043 1 191 . 1 1 21 21 VAL CA C 13 60.221 0.3 . 1 . . . . . 20 VAL CA . 30043 1 192 . 1 1 21 21 VAL CB C 13 31.527 0.3 . 1 . . . . . 20 VAL CB . 30043 1 193 . 1 1 21 21 VAL N N 15 128.107 0.3 . 1 . . . . . 20 VAL N . 30043 1 194 . 1 1 22 22 ASN H H 1 8.652 0.02 . 1 . . . . . 21 ASN H . 30043 1 195 . 1 1 22 22 ASN HA H 1 4.6 0.02 . 1 . . . . . 21 ASN HA . 30043 1 196 . 1 1 22 22 ASN HB2 H 1 2.424 0.02 . 2 . . . . . 21 ASN HB2 . 30043 1 197 . 1 1 22 22 ASN HB3 H 1 1.95 0.02 . 2 . . . . . 21 ASN HB3 . 30043 1 198 . 1 1 22 22 ASN CA C 13 50.701 0.3 . 1 . . . . . 21 ASN CA . 30043 1 199 . 1 1 22 22 ASN CB C 13 41.046 0.3 . 1 . . . . . 21 ASN CB . 30043 1 200 . 1 1 22 22 ASN N N 15 121.77 0.3 . 1 . . . . . 21 ASN N . 30043 1 201 . 1 1 23 23 ALA HA H 1 4.514 0.02 . 1 . . . . . 22 ALA HA . 30043 1 202 . 1 1 23 23 ALA HB1 H 1 1.327 0.02 . 1 . . . . . 22 ALA HB1 . 30043 1 203 . 1 1 23 23 ALA HB2 H 1 1.327 0.02 . 1 . . . . . 22 ALA HB2 . 30043 1 204 . 1 1 23 23 ALA HB3 H 1 1.327 0.02 . 1 . . . . . 22 ALA HB3 . 30043 1 205 . 1 1 23 23 ALA CA C 13 50.648 0.3 . 1 . . . . . 22 ALA CA . 30043 1 206 . 1 1 23 23 ALA CB C 13 16.816 0.3 . 1 . . . . . 22 ALA CB . 30043 1 207 . 1 1 24 24 ALA H H 1 7.646 0.02 . 1 . . . . . 23 ALA H . 30043 1 208 . 1 1 24 24 ALA HA H 1 4.505 0.02 . 1 . . . . . 23 ALA HA . 30043 1 209 . 1 1 24 24 ALA HB1 H 1 1.423 0.02 . 1 . . . . . 23 ALA HB1 . 30043 1 210 . 1 1 24 24 ALA HB2 H 1 1.423 0.02 . 1 . . . . . 23 ALA HB2 . 30043 1 211 . 1 1 24 24 ALA HB3 H 1 1.423 0.02 . 1 . . . . . 23 ALA HB3 . 30043 1 212 . 1 1 24 24 ALA CA C 13 51.413 0.3 . 1 . . . . . 23 ALA CA . 30043 1 213 . 1 1 24 24 ALA CB C 13 22.505 0.3 . 1 . . . . . 23 ALA CB . 30043 1 214 . 1 1 24 24 ALA N N 15 128.116 0.3 . 1 . . . . . 23 ALA N . 30043 1 215 . 1 1 25 25 ASN H H 1 8.955 0.02 . 1 . . . . . 24 ASN H . 30043 1 216 . 1 1 25 25 ASN HA H 1 4.492 0.02 . 1 . . . . . 24 ASN HA . 30043 1 217 . 1 1 25 25 ASN CA C 13 51.163 0.3 . 1 . . . . . 24 ASN CA . 30043 1 218 . 1 1 25 25 ASN N N 15 113.902 0.3 . 1 . . . . . 24 ASN N . 30043 1 219 . 1 1 26 26 HIS H H 1 9.315 0.02 . 1 . . . . . 25 HIS H . 30043 1 220 . 1 1 26 26 HIS HA H 1 5.039 0.02 . 1 . . . . . 25 HIS HA . 30043 1 221 . 1 1 26 26 HIS HB2 H 1 3.327 0.02 . 2 . . . . . 25 HIS HB2 . 30043 1 222 . 1 1 26 26 HIS HB3 H 1 2.892 0.02 . 2 . . . . . 25 HIS HB3 . 30043 1 223 . 1 1 26 26 HIS CA C 13 57.973 0.3 . 1 . . . . . 25 HIS CA . 30043 1 224 . 1 1 26 26 HIS CB C 13 30.13 0.3 . 1 . . . . . 25 HIS CB . 30043 1 225 . 1 1 26 26 HIS N N 15 119.658 0.3 . 1 . . . . . 25 HIS N . 30043 1 226 . 1 1 27 27 ARG H H 1 7.108 0.02 . 1 . . . . . 26 ARG H . 30043 1 227 . 1 1 27 27 ARG HA H 1 4.085 0.02 . 1 . . . . . 26 ARG HA . 30043 1 228 . 1 1 27 27 ARG HB2 H 1 1.662 0.02 . 1 . . . . . 26 ARG HB2 . 30043 1 229 . 1 1 27 27 ARG HB3 H 1 1.662 0.02 . 1 . . . . . 26 ARG HB3 . 30043 1 230 . 1 1 27 27 ARG HG2 H 1 0.945 0.02 . 2 . . . . . 26 ARG HG2 . 30043 1 231 . 1 1 27 27 ARG HG3 H 1 0.708 0.02 . 2 . . . . . 26 ARG HG3 . 30043 1 232 . 1 1 27 27 ARG HD2 H 1 2.942 0.02 . 1 . . . . . 26 ARG HD2 . 30043 1 233 . 1 1 27 27 ARG HD3 H 1 2.942 0.02 . 1 . . . . . 26 ARG HD3 . 30043 1 234 . 1 1 27 27 ARG CA C 13 55.025 0.3 . 1 . . . . . 26 ARG CA . 30043 1 235 . 1 1 27 27 ARG CB C 13 29.792 0.3 . 1 . . . . . 26 ARG CB . 30043 1 236 . 1 1 27 27 ARG CG C 13 26.772 0.3 . 1 . . . . . 26 ARG CG . 30043 1 237 . 1 1 27 27 ARG CD C 13 42.489 0.3 . 1 . . . . . 26 ARG CD . 30043 1 238 . 1 1 27 27 ARG N N 15 117.607 0.3 . 1 . . . . . 26 ARG N . 30043 1 239 . 1 1 28 28 GLY H H 1 7.721 0.02 . 1 . . . . . 27 GLY H . 30043 1 240 . 1 1 28 28 GLY HA2 H 1 3.801 0.02 . 2 . . . . . 27 GLY HA2 . 30043 1 241 . 1 1 28 28 GLY HA3 H 1 3.468 0.02 . 2 . . . . . 27 GLY HA3 . 30043 1 242 . 1 1 28 28 GLY CA C 13 45.62 0.3 . 1 . . . . . 27 GLY CA . 30043 1 243 . 1 1 28 28 GLY N N 15 109.402 0.3 . 1 . . . . . 27 GLY N . 30043 1 244 . 1 1 29 29 GLN H H 1 7.683 0.02 . 1 . . . . . 28 GLN H . 30043 1 245 . 1 1 29 29 GLN HA H 1 4.467 0.02 . 1 . . . . . 28 GLN HA . 30043 1 246 . 1 1 29 29 GLN HB2 H 1 1.945 0.02 . 2 . . . . . 28 GLN HB2 . 30043 1 247 . 1 1 29 29 GLN HB3 H 1 1.67 0.02 . 2 . . . . . 28 GLN HB3 . 30043 1 248 . 1 1 29 29 GLN HG2 H 1 2.184 0.02 . 2 . . . . . 28 GLN HG2 . 30043 1 249 . 1 1 29 29 GLN HG3 H 1 2.088 0.02 . 2 . . . . . 28 GLN HG3 . 30043 1 250 . 1 1 29 29 GLN CA C 13 53.192 0.3 . 1 . . . . . 28 GLN CA . 30043 1 251 . 1 1 29 29 GLN CB C 13 30.482 0.3 . 1 . . . . . 28 GLN CB . 30043 1 252 . 1 1 29 29 GLN CG C 13 33.585 0.3 . 1 . . . . . 28 GLN CG . 30043 1 253 . 1 1 29 29 GLN N N 15 116.64 0.3 . 1 . . . . . 28 GLN N . 30043 1 254 . 1 1 30 30 VAL H H 1 8.611 0.02 . 1 . . . . . 29 VAL H . 30043 1 255 . 1 1 30 30 VAL HA H 1 3.516 0.02 . 1 . . . . . 29 VAL HA . 30043 1 256 . 1 1 30 30 VAL HB H 1 1.661 0.02 . 1 . . . . . 29 VAL HB . 30043 1 257 . 1 1 30 30 VAL HG11 H 1 0.569 0.02 . 1 . . . . . 29 VAL HG11 . 30043 1 258 . 1 1 30 30 VAL HG12 H 1 0.569 0.02 . 1 . . . . . 29 VAL HG12 . 30043 1 259 . 1 1 30 30 VAL HG13 H 1 0.569 0.02 . 1 . . . . . 29 VAL HG13 . 30043 1 260 . 1 1 30 30 VAL HG21 H 1 0.531 0.02 . 1 . . . . . 29 VAL HG21 . 30043 1 261 . 1 1 30 30 VAL HG22 H 1 0.531 0.02 . 1 . . . . . 29 VAL HG22 . 30043 1 262 . 1 1 30 30 VAL HG23 H 1 0.531 0.02 . 1 . . . . . 29 VAL HG23 . 30043 1 263 . 1 1 30 30 VAL CA C 13 64.023 0.3 . 1 . . . . . 29 VAL CA . 30043 1 264 . 1 1 30 30 VAL CB C 13 30.557 0.3 . 1 . . . . . 29 VAL CB . 30043 1 265 . 1 1 30 30 VAL CG1 C 13 21.14 0.3 . 1 . . . . . 29 VAL CG1 . 30043 1 266 . 1 1 30 30 VAL CG2 C 13 20.214 0.3 . 1 . . . . . 29 VAL CG2 . 30043 1 267 . 1 1 30 30 VAL N N 15 124.011 0.3 . 1 . . . . . 29 VAL N . 30043 1 268 . 1 1 31 31 GLY HA2 H 1 3.692 0.02 . 2 . . . . . 30 GLY HA2 . 30043 1 269 . 1 1 31 31 GLY HA3 H 1 4.197 0.02 . 2 . . . . . 30 GLY HA3 . 30043 1 270 . 1 1 31 31 GLY CA C 13 45.358 0.3 . 1 . . . . . 30 GLY CA . 30043 1 271 . 1 1 33 33 GLY H H 1 8.377 0.02 . 1 . . . . . 32 GLY H . 30043 1 272 . 1 1 33 33 GLY HA2 H 1 3.849 0.02 . 1 . . . . . 32 GLY HA2 . 30043 1 273 . 1 1 33 33 GLY HA3 H 1 3.849 0.02 . 1 . . . . . 32 GLY HA3 . 30043 1 274 . 1 1 33 33 GLY CA C 13 45.119 0.3 . 1 . . . . . 32 GLY CA . 30043 1 275 . 1 1 33 33 GLY N N 15 109.725 0.3 . 1 . . . . . 32 GLY N . 30043 1 276 . 1 1 34 34 VAL H H 1 7.876 0.02 . 1 . . . . . 33 VAL H . 30043 1 277 . 1 1 34 34 VAL HA H 1 3.993 0.02 . 1 . . . . . 33 VAL HA . 30043 1 278 . 1 1 34 34 VAL HB H 1 1.943 0.02 . 1 . . . . . 33 VAL HB . 30043 1 279 . 1 1 34 34 VAL HG11 H 1 0.819 0.02 . 1 . . . . . 33 VAL HG11 . 30043 1 280 . 1 1 34 34 VAL HG12 H 1 0.819 0.02 . 1 . . . . . 33 VAL HG12 . 30043 1 281 . 1 1 34 34 VAL HG13 H 1 0.819 0.02 . 1 . . . . . 33 VAL HG13 . 30043 1 282 . 1 1 34 34 VAL CA C 13 62.217 0.3 . 1 . . . . . 33 VAL CA . 30043 1 283 . 1 1 34 34 VAL CB C 13 32.608 0.3 . 1 . . . . . 33 VAL CB . 30043 1 284 . 1 1 34 34 VAL CG1 C 13 20.704 0.3 . 1 . . . . . 33 VAL CG1 . 30043 1 285 . 1 1 34 34 VAL CG2 C 13 20.359 0.3 . 1 . . . . . 33 VAL CG2 . 30043 1 286 . 1 1 34 34 VAL N N 15 120.45 0.3 . 1 . . . . . 33 VAL N . 30043 1 287 . 1 1 36 36 ARG HA H 1 3.853 0.02 . 1 . . . . . 35 ARG HA . 30043 1 288 . 1 1 36 36 ARG HB2 H 1 1.989 0.02 . 2 . . . . . 35 ARG HB2 . 30043 1 289 . 1 1 36 36 ARG HB3 H 1 1.768 0.02 . 2 . . . . . 35 ARG HB3 . 30043 1 290 . 1 1 36 36 ARG HG2 H 1 1.458 0.02 . 1 . . . . . 35 ARG HG2 . 30043 1 291 . 1 1 36 36 ARG HG3 H 1 1.458 0.02 . 1 . . . . . 35 ARG HG3 . 30043 1 292 . 1 1 36 36 ARG HD2 H 1 3.228 0.02 . 1 . . . . . 35 ARG HD2 . 30043 1 293 . 1 1 36 36 ARG HD3 H 1 3.228 0.02 . 1 . . . . . 35 ARG HD3 . 30043 1 294 . 1 1 36 36 ARG CA C 13 60.459 0.3 . 1 . . . . . 35 ARG CA . 30043 1 295 . 1 1 36 36 ARG CB C 13 29.746 0.3 . 1 . . . . . 35 ARG CB . 30043 1 296 . 1 1 36 36 ARG CG C 13 28.54 0.3 . 1 . . . . . 35 ARG CG . 30043 1 297 . 1 1 36 36 ARG CD C 13 43.247 0.3 . 1 . . . . . 35 ARG CD . 30043 1 298 . 1 1 37 37 ALA HA H 1 4.039 0.02 . 1 . . . . . 36 ALA HA . 30043 1 299 . 1 1 37 37 ALA HB1 H 1 1.565 0.02 . 1 . . . . . 36 ALA HB1 . 30043 1 300 . 1 1 37 37 ALA HB2 H 1 1.565 0.02 . 1 . . . . . 36 ALA HB2 . 30043 1 301 . 1 1 37 37 ALA HB3 H 1 1.565 0.02 . 1 . . . . . 36 ALA HB3 . 30043 1 302 . 1 1 37 37 ALA CA C 13 54.706 0.3 . 1 . . . . . 36 ALA CA . 30043 1 303 . 1 1 37 37 ALA CB C 13 18.691 0.3 . 1 . . . . . 36 ALA CB . 30043 1 304 . 1 1 38 38 VAL H H 1 8.345 0.02 . 1 . . . . . 37 VAL H . 30043 1 305 . 1 1 38 38 VAL HA H 1 3.846 0.02 . 1 . . . . . 37 VAL HA . 30043 1 306 . 1 1 38 38 VAL HB H 1 2.326 0.02 . 1 . . . . . 37 VAL HB . 30043 1 307 . 1 1 38 38 VAL HG11 H 1 0.995 0.02 . 1 . . . . . 37 VAL HG11 . 30043 1 308 . 1 1 38 38 VAL HG12 H 1 0.995 0.02 . 1 . . . . . 37 VAL HG12 . 30043 1 309 . 1 1 38 38 VAL HG13 H 1 0.995 0.02 . 1 . . . . . 37 VAL HG13 . 30043 1 310 . 1 1 38 38 VAL HG21 H 1 0.976 0.02 . 1 . . . . . 37 VAL HG21 . 30043 1 311 . 1 1 38 38 VAL HG22 H 1 0.976 0.02 . 1 . . . . . 37 VAL HG22 . 30043 1 312 . 1 1 38 38 VAL HG23 H 1 0.976 0.02 . 1 . . . . . 37 VAL HG23 . 30043 1 313 . 1 1 38 38 VAL CA C 13 66.271 0.3 . 1 . . . . . 37 VAL CA . 30043 1 314 . 1 1 38 38 VAL CB C 13 31.642 0.3 . 1 . . . . . 37 VAL CB . 30043 1 315 . 1 1 38 38 VAL CG1 C 13 21.052 0.3 . 1 . . . . . 37 VAL CG1 . 30043 1 316 . 1 1 38 38 VAL CG2 C 13 23.342 0.3 . 1 . . . . . 37 VAL CG2 . 30043 1 317 . 1 1 38 38 VAL N N 15 120.044 0.3 . 1 . . . . . 37 VAL N . 30043 1 318 . 1 1 39 39 ALA HA H 1 3.895 0.02 . 1 . . . . . 38 ALA HA . 30043 1 319 . 1 1 39 39 ALA HB1 H 1 0.854 0.02 . 1 . . . . . 38 ALA HB1 . 30043 1 320 . 1 1 39 39 ALA HB2 H 1 0.854 0.02 . 1 . . . . . 38 ALA HB2 . 30043 1 321 . 1 1 39 39 ALA HB3 H 1 0.854 0.02 . 1 . . . . . 38 ALA HB3 . 30043 1 322 . 1 1 39 39 ALA CA C 13 54.371 0.3 . 1 . . . . . 38 ALA CA . 30043 1 323 . 1 1 39 39 ALA CB C 13 18.996 0.3 . 1 . . . . . 38 ALA CB . 30043 1 324 . 1 1 40 40 ARG H H 1 7.433 0.02 . 1 . . . . . 39 ARG H . 30043 1 325 . 1 1 40 40 ARG HA H 1 3.862 0.02 . 1 . . . . . 39 ARG HA . 30043 1 326 . 1 1 40 40 ARG HB2 H 1 1.761 0.02 . 1 . . . . . 39 ARG HB2 . 30043 1 327 . 1 1 40 40 ARG HB3 H 1 1.761 0.02 . 1 . . . . . 39 ARG HB3 . 30043 1 328 . 1 1 40 40 ARG HG2 H 1 1.599 0.02 . 2 . . . . . 39 ARG HG2 . 30043 1 329 . 1 1 40 40 ARG HG3 H 1 1.423 0.02 . 2 . . . . . 39 ARG HG3 . 30043 1 330 . 1 1 40 40 ARG HD2 H 1 3.086 0.02 . 1 . . . . . 39 ARG HD2 . 30043 1 331 . 1 1 40 40 ARG HD3 H 1 3.086 0.02 . 1 . . . . . 39 ARG HD3 . 30043 1 332 . 1 1 40 40 ARG CA C 13 57.982 0.3 . 1 . . . . . 39 ARG CA . 30043 1 333 . 1 1 40 40 ARG CB C 13 29.954 0.3 . 1 . . . . . 39 ARG CB . 30043 1 334 . 1 1 40 40 ARG CG C 13 27.285 0.3 . 1 . . . . . 39 ARG CG . 30043 1 335 . 1 1 40 40 ARG CD C 13 43.152 0.3 . 1 . . . . . 39 ARG CD . 30043 1 336 . 1 1 40 40 ARG N N 15 116.437 0.3 . 1 . . . . . 39 ARG N . 30043 1 337 . 1 1 41 41 LYS H H 1 7.026 0.02 . 1 . . . . . 40 LYS H . 30043 1 338 . 1 1 41 41 LYS HA H 1 3.891 0.02 . 1 . . . . . 40 LYS HA . 30043 1 339 . 1 1 41 41 LYS HB2 H 1 1.135 0.02 . 2 . . . . . 40 LYS HB2 . 30043 1 340 . 1 1 41 41 LYS HB3 H 1 1.046 0.02 . 2 . . . . . 40 LYS HB3 . 30043 1 341 . 1 1 41 41 LYS HG2 H 1 -0.148 0.02 . 2 . . . . . 40 LYS HG2 . 30043 1 342 . 1 1 41 41 LYS HG3 H 1 -0.46 0.02 . 2 . . . . . 40 LYS HG3 . 30043 1 343 . 1 1 41 41 LYS HD2 H 1 0.85 0.02 . 1 . . . . . 40 LYS HD2 . 30043 1 344 . 1 1 41 41 LYS HD3 H 1 0.85 0.02 . 1 . . . . . 40 LYS HD3 . 30043 1 345 . 1 1 41 41 LYS HE2 H 1 2.474 0.02 . 2 . . . . . 40 LYS HE2 . 30043 1 346 . 1 1 41 41 LYS HE3 H 1 2.348 0.02 . 2 . . . . . 40 LYS HE3 . 30043 1 347 . 1 1 41 41 LYS CA C 13 56.529 0.3 . 1 . . . . . 40 LYS CA . 30043 1 348 . 1 1 41 41 LYS CB C 13 32.884 0.3 . 1 . . . . . 40 LYS CB . 30043 1 349 . 1 1 41 41 LYS CG C 13 22.257 0.3 . 1 . . . . . 40 LYS CG . 30043 1 350 . 1 1 41 41 LYS CD C 13 27.433 0.3 . 1 . . . . . 40 LYS CD . 30043 1 351 . 1 1 41 41 LYS CE C 13 41.994 0.3 . 1 . . . . . 40 LYS CE . 30043 1 352 . 1 1 41 41 LYS N N 15 119.8 0.3 . 1 . . . . . 40 LYS N . 30043 1 353 . 1 1 42 42 TRP H H 1 8.602 0.02 . 1 . . . . . 41 TRP H . 30043 1 354 . 1 1 42 42 TRP HA H 1 5.129 0.02 . 1 . . . . . 41 TRP HA . 30043 1 355 . 1 1 42 42 TRP HB2 H 1 3.136 0.02 . 1 . . . . . 41 TRP HB2 . 30043 1 356 . 1 1 42 42 TRP HB3 H 1 3.136 0.02 . 1 . . . . . 41 TRP HB3 . 30043 1 357 . 1 1 42 42 TRP HE1 H 1 10.013 0.02 . 1 . . . . . 41 TRP HE1 . 30043 1 358 . 1 1 42 42 TRP CA C 13 60.568 0.3 . 1 . . . . . 41 TRP CA . 30043 1 359 . 1 1 42 42 TRP CB C 13 28.387 0.3 . 1 . . . . . 41 TRP CB . 30043 1 360 . 1 1 42 42 TRP N N 15 117.84 0.3 . 1 . . . . . 41 TRP N . 30043 1 361 . 1 1 43 43 PRO HA H 1 4.514 0.02 . 1 . . . . . 42 PRO HA . 30043 1 362 . 1 1 43 43 PRO HB2 H 1 2.379 0.02 . 2 . . . . . 42 PRO HB2 . 30043 1 363 . 1 1 43 43 PRO HB3 H 1 1.9 0.02 . 2 . . . . . 42 PRO HB3 . 30043 1 364 . 1 1 43 43 PRO HG2 H 1 1.991 0.02 . 2 . . . . . 42 PRO HG2 . 30043 1 365 . 1 1 43 43 PRO HG3 H 1 1.946 0.02 . 2 . . . . . 42 PRO HG3 . 30043 1 366 . 1 1 43 43 PRO HD2 H 1 3.611 0.02 . 1 . . . . . 42 PRO HD2 . 30043 1 367 . 1 1 43 43 PRO HD3 H 1 3.611 0.02 . 1 . . . . . 42 PRO HD3 . 30043 1 368 . 1 1 43 43 PRO CA C 13 65.573 0.3 . 1 . . . . . 42 PRO CA . 30043 1 369 . 1 1 43 43 PRO CB C 13 31.049 0.3 . 1 . . . . . 42 PRO CB . 30043 1 370 . 1 1 43 43 PRO CG C 13 27.132 0.3 . 1 . . . . . 42 PRO CG . 30043 1 371 . 1 1 43 43 PRO CD C 13 49.766 0.3 . 1 . . . . . 42 PRO CD . 30043 1 372 . 1 1 44 44 GLN H H 1 9.304 0.02 . 1 . . . . . 43 GLN H . 30043 1 373 . 1 1 44 44 GLN HA H 1 4.277 0.02 . 1 . . . . . 43 GLN HA . 30043 1 374 . 1 1 44 44 GLN HB2 H 1 2.187 0.02 . 2 . . . . . 43 GLN HB2 . 30043 1 375 . 1 1 44 44 GLN HB3 H 1 2.137 0.02 . 2 . . . . . 43 GLN HB3 . 30043 1 376 . 1 1 44 44 GLN HG2 H 1 2.423 0.02 . 2 . . . . . 43 GLN HG2 . 30043 1 377 . 1 1 44 44 GLN HG3 H 1 2.375 0.02 . 2 . . . . . 43 GLN HG3 . 30043 1 378 . 1 1 44 44 GLN CA C 13 57.113 0.3 . 1 . . . . . 43 GLN CA . 30043 1 379 . 1 1 44 44 GLN CB C 13 26.82 0.3 . 1 . . . . . 43 GLN CB . 30043 1 380 . 1 1 44 44 GLN CG C 13 33.645 0.3 . 1 . . . . . 43 GLN CG . 30043 1 381 . 1 1 44 44 GLN N N 15 117.655 0.3 . 1 . . . . . 43 GLN N . 30043 1 382 . 1 1 45 45 ALA H H 1 8.367 0.02 . 1 . . . . . 44 ALA H . 30043 1 383 . 1 1 45 45 ALA HA H 1 3.991 0.02 . 1 . . . . . 44 ALA HA . 30043 1 384 . 1 1 45 45 ALA HB1 H 1 1.327 0.02 . 1 . . . . . 44 ALA HB1 . 30043 1 385 . 1 1 45 45 ALA HB2 H 1 1.327 0.02 . 1 . . . . . 44 ALA HB2 . 30043 1 386 . 1 1 45 45 ALA HB3 H 1 1.327 0.02 . 1 . . . . . 44 ALA HB3 . 30043 1 387 . 1 1 45 45 ALA CA C 13 52.917 0.3 . 1 . . . . . 44 ALA CA . 30043 1 388 . 1 1 45 45 ALA CB C 13 18.362 0.3 . 1 . . . . . 44 ALA CB . 30043 1 389 . 1 1 45 45 ALA N N 15 122.097 0.3 . 1 . . . . . 44 ALA N . 30043 1 390 . 1 1 46 46 PHE H H 1 7.611 0.02 . 1 . . . . . 45 PHE H . 30043 1 391 . 1 1 46 46 PHE HA H 1 3.946 0.02 . 1 . . . . . 45 PHE HA . 30043 1 392 . 1 1 46 46 PHE HB2 H 1 2.337 0.02 . 2 . . . . . 45 PHE HB2 . 30043 1 393 . 1 1 46 46 PHE HB3 H 1 1.818 0.02 . 2 . . . . . 45 PHE HB3 . 30043 1 394 . 1 1 46 46 PHE CA C 13 57.944 0.3 . 1 . . . . . 45 PHE CA . 30043 1 395 . 1 1 46 46 PHE CB C 13 36.267 0.3 . 1 . . . . . 45 PHE CB . 30043 1 396 . 1 1 46 46 PHE N N 15 117.78 0.3 . 1 . . . . . 45 PHE N . 30043 1 397 . 1 1 47 47 ARG H H 1 6.876 0.02 . 1 . . . . . 46 ARG H . 30043 1 398 . 1 1 47 47 ARG HA H 1 4.183 0.02 . 1 . . . . . 46 ARG HA . 30043 1 399 . 1 1 47 47 ARG HB2 H 1 1.706 0.02 . 1 . . . . . 46 ARG HB2 . 30043 1 400 . 1 1 47 47 ARG HB3 H 1 1.706 0.02 . 1 . . . . . 46 ARG HB3 . 30043 1 401 . 1 1 47 47 ARG HG2 H 1 1.563 0.02 . 1 . . . . . 46 ARG HG2 . 30043 1 402 . 1 1 47 47 ARG HG3 H 1 1.563 0.02 . 1 . . . . . 46 ARG HG3 . 30043 1 403 . 1 1 47 47 ARG HD2 H 1 3.186 0.02 . 1 . . . . . 46 ARG HD2 . 30043 1 404 . 1 1 47 47 ARG HD3 H 1 3.186 0.02 . 1 . . . . . 46 ARG HD3 . 30043 1 405 . 1 1 47 47 ARG CA C 13 56.413 0.3 . 1 . . . . . 46 ARG CA . 30043 1 406 . 1 1 47 47 ARG CB C 13 30.175 0.3 . 1 . . . . . 46 ARG CB . 30043 1 407 . 1 1 47 47 ARG CG C 13 26.832 0.3 . 1 . . . . . 46 ARG CG . 30043 1 408 . 1 1 47 47 ARG CD C 13 43.097 0.3 . 1 . . . . . 46 ARG CD . 30043 1 409 . 1 1 47 47 ARG N N 15 122.225 0.3 . 1 . . . . . 46 ARG N . 30043 1 410 . 1 1 48 48 ASN HA H 1 4.467 0.02 . 1 . . . . . 47 ASN HA . 30043 1 411 . 1 1 48 48 ASN HB2 H 1 2.849 0.02 . 2 . . . . . 47 ASN HB2 . 30043 1 412 . 1 1 48 48 ASN HB3 H 1 2.611 0.02 . 2 . . . . . 47 ASN HB3 . 30043 1 413 . 1 1 48 48 ASN CA C 13 53.299 0.3 . 1 . . . . . 47 ASN CA . 30043 1 414 . 1 1 48 48 ASN CB C 13 37.435 0.3 . 1 . . . . . 47 ASN CB . 30043 1 415 . 1 1 49 49 ALA H H 1 7.94 0.02 . 1 . . . . . 48 ALA H . 30043 1 416 . 1 1 49 49 ALA HA H 1 3.804 0.02 . 1 . . . . . 48 ALA HA . 30043 1 417 . 1 1 49 49 ALA HB1 H 1 0.52 0.02 . 1 . . . . . 48 ALA HB1 . 30043 1 418 . 1 1 49 49 ALA HB2 H 1 0.52 0.02 . 1 . . . . . 48 ALA HB2 . 30043 1 419 . 1 1 49 49 ALA HB3 H 1 0.52 0.02 . 1 . . . . . 48 ALA HB3 . 30043 1 420 . 1 1 49 49 ALA CA C 13 52.139 0.3 . 1 . . . . . 48 ALA CA . 30043 1 421 . 1 1 49 49 ALA CB C 13 18.742 0.3 . 1 . . . . . 48 ALA CB . 30043 1 422 . 1 1 49 49 ALA N N 15 120.968 0.3 . 1 . . . . . 48 ALA N . 30043 1 423 . 1 1 50 50 ALA H H 1 7.702 0.02 . 1 . . . . . 49 ALA H . 30043 1 424 . 1 1 50 50 ALA HA H 1 3.375 0.02 . 1 . . . . . 49 ALA HA . 30043 1 425 . 1 1 50 50 ALA HB1 H 1 1.089 0.02 . 1 . . . . . 49 ALA HB1 . 30043 1 426 . 1 1 50 50 ALA HB2 H 1 1.089 0.02 . 1 . . . . . 49 ALA HB2 . 30043 1 427 . 1 1 50 50 ALA HB3 H 1 1.089 0.02 . 1 . . . . . 49 ALA HB3 . 30043 1 428 . 1 1 50 50 ALA CA C 13 54.084 0.3 . 1 . . . . . 49 ALA CA . 30043 1 429 . 1 1 50 50 ALA CB C 13 18.307 0.3 . 1 . . . . . 49 ALA CB . 30043 1 430 . 1 1 50 50 ALA N N 15 122.299 0.3 . 1 . . . . . 49 ALA N . 30043 1 431 . 1 1 51 51 THR H H 1 7.224 0.02 . 1 . . . . . 50 THR H . 30043 1 432 . 1 1 51 51 THR HA H 1 4.7 0.02 . 1 . . . . . 50 THR HA . 30043 1 433 . 1 1 51 51 THR HB H 1 3.753 0.02 . 1 . . . . . 50 THR HB . 30043 1 434 . 1 1 51 51 THR HG21 H 1 0.85 0.02 . 1 . . . . . 50 THR HG21 . 30043 1 435 . 1 1 51 51 THR HG22 H 1 0.85 0.02 . 1 . . . . . 50 THR HG22 . 30043 1 436 . 1 1 51 51 THR HG23 H 1 0.85 0.02 . 1 . . . . . 50 THR HG23 . 30043 1 437 . 1 1 51 51 THR CA C 13 59.454 0.3 . 1 . . . . . 50 THR CA . 30043 1 438 . 1 1 51 51 THR CB C 13 70.545 0.3 . 1 . . . . . 50 THR CB . 30043 1 439 . 1 1 51 51 THR CG2 C 13 19.323 0.3 . 1 . . . . . 50 THR CG2 . 30043 1 440 . 1 1 51 51 THR N N 15 119.283 0.3 . 1 . . . . . 50 THR N . 30043 1 441 . 1 1 52 52 PRO HA H 1 4.372 0.02 . 1 . . . . . 51 PRO HA . 30043 1 442 . 1 1 52 52 PRO HB2 H 1 2.231 0.02 . 2 . . . . . 51 PRO HB2 . 30043 1 443 . 1 1 52 52 PRO HB3 H 1 1.661 0.02 . 2 . . . . . 51 PRO HB3 . 30043 1 444 . 1 1 52 52 PRO HG2 H 1 1.896 0.02 . 2 . . . . . 51 PRO HG2 . 30043 1 445 . 1 1 52 52 PRO HG3 H 1 1.69 0.02 . 2 . . . . . 51 PRO HG3 . 30043 1 446 . 1 1 52 52 PRO HD2 H 1 3.707 0.02 . 2 . . . . . 51 PRO HD2 . 30043 1 447 . 1 1 52 52 PRO HD3 H 1 3.497 0.02 . 2 . . . . . 51 PRO HD3 . 30043 1 448 . 1 1 52 52 PRO CA C 13 62.618 0.3 . 1 . . . . . 51 PRO CA . 30043 1 449 . 1 1 52 52 PRO CB C 13 32.733 0.3 . 1 . . . . . 51 PRO CB . 30043 1 450 . 1 1 52 52 PRO CG C 13 27.373 0.3 . 1 . . . . . 51 PRO CG . 30043 1 451 . 1 1 52 52 PRO CD C 13 51.908 0.3 . 1 . . . . . 51 PRO CD . 30043 1 452 . 1 1 53 53 VAL H H 1 8.316 0.02 . 1 . . . . . 52 VAL H . 30043 1 453 . 1 1 53 53 VAL HA H 1 3.464 0.02 . 1 . . . . . 52 VAL HA . 30043 1 454 . 1 1 53 53 VAL HB H 1 1.661 0.02 . 1 . . . . . 52 VAL HB . 30043 1 455 . 1 1 53 53 VAL HG11 H 1 0.564 0.02 . 1 . . . . . 52 VAL HG11 . 30043 1 456 . 1 1 53 53 VAL HG12 H 1 0.564 0.02 . 1 . . . . . 52 VAL HG12 . 30043 1 457 . 1 1 53 53 VAL HG13 H 1 0.564 0.02 . 1 . . . . . 52 VAL HG13 . 30043 1 458 . 1 1 53 53 VAL HG21 H 1 0.803 0.02 . 1 . . . . . 52 VAL HG21 . 30043 1 459 . 1 1 53 53 VAL HG22 H 1 0.803 0.02 . 1 . . . . . 52 VAL HG22 . 30043 1 460 . 1 1 53 53 VAL HG23 H 1 0.803 0.02 . 1 . . . . . 52 VAL HG23 . 30043 1 461 . 1 1 53 53 VAL CA C 13 63.976 0.3 . 1 . . . . . 52 VAL CA . 30043 1 462 . 1 1 53 53 VAL CB C 13 30.949 0.3 . 1 . . . . . 52 VAL CB . 30043 1 463 . 1 1 53 53 VAL CG1 C 13 20.28 0.3 . 1 . . . . . 52 VAL CG1 . 30043 1 464 . 1 1 53 53 VAL CG2 C 13 21.649 0.3 . 1 . . . . . 52 VAL CG2 . 30043 1 465 . 1 1 53 53 VAL N N 15 121.012 0.3 . 1 . . . . . 52 VAL N . 30043 1 466 . 1 1 54 54 GLY H H 1 9.234 0.02 . 1 . . . . . 53 GLY H . 30043 1 467 . 1 1 54 54 GLY HA2 H 1 3.612 0.02 . 2 . . . . . 53 GLY HA2 . 30043 1 468 . 1 1 54 54 GLY HA3 H 1 4.108 0.02 . 2 . . . . . 53 GLY HA3 . 30043 1 469 . 1 1 54 54 GLY CA C 13 44.124 0.3 . 1 . . . . . 53 GLY CA . 30043 1 470 . 1 1 54 54 GLY N N 15 114.067 0.3 . 1 . . . . . 53 GLY N . 30043 1 471 . 1 1 55 55 THR H H 1 7.437 0.02 . 1 . . . . . 54 THR H . 30043 1 472 . 1 1 55 55 THR HA H 1 4.468 0.02 . 1 . . . . . 54 THR HA . 30043 1 473 . 1 1 55 55 THR HB H 1 4.181 0.02 . 1 . . . . . 54 THR HB . 30043 1 474 . 1 1 55 55 THR HG21 H 1 0.899 0.02 . 1 . . . . . 54 THR HG21 . 30043 1 475 . 1 1 55 55 THR HG22 H 1 0.899 0.02 . 1 . . . . . 54 THR HG22 . 30043 1 476 . 1 1 55 55 THR HG23 H 1 0.899 0.02 . 1 . . . . . 54 THR HG23 . 30043 1 477 . 1 1 55 55 THR CA C 13 59.59 0.3 . 1 . . . . . 54 THR CA . 30043 1 478 . 1 1 55 55 THR CB C 13 72.123 0.3 . 1 . . . . . 54 THR CB . 30043 1 479 . 1 1 55 55 THR CG2 C 13 20.909 0.3 . 1 . . . . . 54 THR CG2 . 30043 1 480 . 1 1 55 55 THR N N 15 108.503 0.3 . 1 . . . . . 54 THR N . 30043 1 481 . 1 1 56 56 ALA H H 1 7.767 0.02 . 1 . . . . . 55 ALA H . 30043 1 482 . 1 1 56 56 ALA HA H 1 5.707 0.02 . 1 . . . . . 55 ALA HA . 30043 1 483 . 1 1 56 56 ALA HB1 H 1 0.852 0.02 . 1 . . . . . 55 ALA HB1 . 30043 1 484 . 1 1 56 56 ALA HB2 H 1 0.852 0.02 . 1 . . . . . 55 ALA HB2 . 30043 1 485 . 1 1 56 56 ALA HB3 H 1 0.852 0.02 . 1 . . . . . 55 ALA HB3 . 30043 1 486 . 1 1 56 56 ALA CA C 13 49.58 0.3 . 1 . . . . . 55 ALA CA . 30043 1 487 . 1 1 56 56 ALA CB C 13 22.441 0.3 . 1 . . . . . 55 ALA CB . 30043 1 488 . 1 1 56 56 ALA N N 15 116.919 0.3 . 1 . . . . . 55 ALA N . 30043 1 489 . 1 1 57 57 LYS H H 1 8.562 0.02 . 1 . . . . . 56 LYS H . 30043 1 490 . 1 1 57 57 LYS HA H 1 4.516 0.02 . 1 . . . . . 56 LYS HA . 30043 1 491 . 1 1 57 57 LYS HB2 H 1 1.609 0.02 . 2 . . . . . 56 LYS HB2 . 30043 1 492 . 1 1 57 57 LYS HB3 H 1 1.518 0.02 . 2 . . . . . 56 LYS HB3 . 30043 1 493 . 1 1 57 57 LYS HG2 H 1 1.233 0.02 . 2 . . . . . 56 LYS HG2 . 30043 1 494 . 1 1 57 57 LYS HG3 H 1 1.178 0.02 . 2 . . . . . 56 LYS HG3 . 30043 1 495 . 1 1 57 57 LYS HD2 H 1 1.512 0.02 . 2 . . . . . 56 LYS HD2 . 30043 1 496 . 1 1 57 57 LYS HD3 H 1 1.439 0.02 . 2 . . . . . 56 LYS HD3 . 30043 1 497 . 1 1 57 57 LYS HE2 H 1 2.904 0.02 . 2 . . . . . 56 LYS HE2 . 30043 1 498 . 1 1 57 57 LYS HE3 H 1 2.704 0.02 . 2 . . . . . 56 LYS HE3 . 30043 1 499 . 1 1 57 57 LYS CA C 13 54.972 0.3 . 1 . . . . . 56 LYS CA . 30043 1 500 . 1 1 57 57 LYS CB C 13 36.005 0.3 . 1 . . . . . 56 LYS CB . 30043 1 501 . 1 1 57 57 LYS CG C 13 24.837 0.3 . 1 . . . . . 56 LYS CG . 30043 1 502 . 1 1 57 57 LYS CD C 13 29.017 0.3 . 1 . . . . . 56 LYS CD . 30043 1 503 . 1 1 57 57 LYS CE C 13 42.136 0.3 . 1 . . . . . 56 LYS CE . 30043 1 504 . 1 1 57 57 LYS N N 15 122.068 0.3 . 1 . . . . . 56 LYS N . 30043 1 505 . 1 1 58 58 THR H H 1 8.727 0.02 . 1 . . . . . 57 THR H . 30043 1 506 . 1 1 58 58 THR HA H 1 4.943 0.02 . 1 . . . . . 57 THR HA . 30043 1 507 . 1 1 58 58 THR HB H 1 3.614 0.02 . 1 . . . . . 57 THR HB . 30043 1 508 . 1 1 58 58 THR HG21 H 1 0.851 0.02 . 1 . . . . . 57 THR HG21 . 30043 1 509 . 1 1 58 58 THR HG22 H 1 0.851 0.02 . 1 . . . . . 57 THR HG22 . 30043 1 510 . 1 1 58 58 THR HG23 H 1 0.851 0.02 . 1 . . . . . 57 THR HG23 . 30043 1 511 . 1 1 58 58 THR CA C 13 62.926 0.3 . 1 . . . . . 57 THR CA . 30043 1 512 . 1 1 58 58 THR CB C 13 67.622 0.3 . 1 . . . . . 57 THR CB . 30043 1 513 . 1 1 58 58 THR CG2 C 13 23.84 0.3 . 1 . . . . . 57 THR CG2 . 30043 1 514 . 1 1 58 58 THR N N 15 127.206 0.3 . 1 . . . . . 57 THR N . 30043 1 515 . 1 1 59 59 VAL H H 1 9.508 0.02 . 1 . . . . . 58 VAL H . 30043 1 516 . 1 1 59 59 VAL HA H 1 4.231 0.02 . 1 . . . . . 58 VAL HA . 30043 1 517 . 1 1 59 59 VAL HB H 1 1.901 0.02 . 1 . . . . . 58 VAL HB . 30043 1 518 . 1 1 59 59 VAL HG11 H 1 0.852 0.02 . 1 . . . . . 58 VAL HG11 . 30043 1 519 . 1 1 59 59 VAL HG12 H 1 0.852 0.02 . 1 . . . . . 58 VAL HG12 . 30043 1 520 . 1 1 59 59 VAL HG13 H 1 0.852 0.02 . 1 . . . . . 58 VAL HG13 . 30043 1 521 . 1 1 59 59 VAL HG21 H 1 0.899 0.02 . 1 . . . . . 58 VAL HG21 . 30043 1 522 . 1 1 59 59 VAL HG22 H 1 0.899 0.02 . 1 . . . . . 58 VAL HG22 . 30043 1 523 . 1 1 59 59 VAL HG23 H 1 0.899 0.02 . 1 . . . . . 58 VAL HG23 . 30043 1 524 . 1 1 59 59 VAL CA C 13 60.471 0.3 . 1 . . . . . 58 VAL CA . 30043 1 525 . 1 1 59 59 VAL CB C 13 34.84 0.3 . 1 . . . . . 58 VAL CB . 30043 1 526 . 1 1 59 59 VAL CG1 C 13 20.997 0.3 . 1 . . . . . 58 VAL CG1 . 30043 1 527 . 1 1 59 59 VAL CG2 C 13 19.818 0.3 . 1 . . . . . 58 VAL CG2 . 30043 1 528 . 1 1 59 59 VAL N N 15 128.657 0.3 . 1 . . . . . 58 VAL N . 30043 1 529 . 1 1 60 60 LYS H H 1 8.791 0.02 . 1 . . . . . 59 LYS H . 30043 1 530 . 1 1 60 60 LYS HA H 1 4.231 0.02 . 1 . . . . . 59 LYS HA . 30043 1 531 . 1 1 60 60 LYS HB2 H 1 1.707 0.02 . 1 . . . . . 59 LYS HB2 . 30043 1 532 . 1 1 60 60 LYS HB3 H 1 1.707 0.02 . 1 . . . . . 59 LYS HB3 . 30043 1 533 . 1 1 60 60 LYS HG2 H 1 0.899 0.02 . 2 . . . . . 59 LYS HG2 . 30043 1 534 . 1 1 60 60 LYS HG3 H 1 0.161 0.02 . 2 . . . . . 59 LYS HG3 . 30043 1 535 . 1 1 60 60 LYS HD2 H 1 1.232 0.02 . 2 . . . . . 59 LYS HD2 . 30043 1 536 . 1 1 60 60 LYS HD3 H 1 1.181 0.02 . 2 . . . . . 59 LYS HD3 . 30043 1 537 . 1 1 60 60 LYS HE2 H 1 2.563 0.02 . 2 . . . . . 59 LYS HE2 . 30043 1 538 . 1 1 60 60 LYS HE3 H 1 2.304 0.02 . 2 . . . . . 59 LYS HE3 . 30043 1 539 . 1 1 60 60 LYS CA C 13 56.147 0.3 . 1 . . . . . 59 LYS CA . 30043 1 540 . 1 1 60 60 LYS CB C 13 33.273 0.3 . 1 . . . . . 59 LYS CB . 30043 1 541 . 1 1 60 60 LYS CG C 13 24.852 0.3 . 1 . . . . . 59 LYS CG . 30043 1 542 . 1 1 60 60 LYS CD C 13 28.957 0.3 . 1 . . . . . 59 LYS CD . 30043 1 543 . 1 1 60 60 LYS CE C 13 41.789 0.3 . 1 . . . . . 59 LYS CE . 30043 1 544 . 1 1 60 60 LYS N N 15 129.449 0.3 . 1 . . . . . 59 LYS N . 30043 1 545 . 1 1 61 61 CYS H H 1 8.806 0.02 . 1 . . . . . 60 CYS H . 30043 1 546 . 1 1 61 61 CYS HA H 1 4.469 0.02 . 1 . . . . . 60 CYS HA . 30043 1 547 . 1 1 61 61 CYS HB2 H 1 2.849 0.02 . 2 . . . . . 60 CYS HB2 . 30043 1 548 . 1 1 61 61 CYS HB3 H 1 2.421 0.02 . 2 . . . . . 60 CYS HB3 . 30043 1 549 . 1 1 61 61 CYS CA C 13 57.673 0.3 . 1 . . . . . 60 CYS CA . 30043 1 550 . 1 1 61 61 CYS CB C 13 28.531 0.3 . 1 . . . . . 60 CYS CB . 30043 1 551 . 1 1 61 61 CYS N N 15 129.1 0.3 . 1 . . . . . 60 CYS N . 30043 1 552 . 1 1 62 62 ASP H H 1 8.852 0.02 . 1 . . . . . 61 ASP H . 30043 1 553 . 1 1 62 62 ASP HA H 1 3.992 0.02 . 1 . . . . . 61 ASP HA . 30043 1 554 . 1 1 62 62 ASP HB2 H 1 3.039 0.02 . 2 . . . . . 61 ASP HB2 . 30043 1 555 . 1 1 62 62 ASP HB3 H 1 2.85 0.02 . 2 . . . . . 61 ASP HB3 . 30043 1 556 . 1 1 62 62 ASP CA C 13 56.82 0.3 . 1 . . . . . 61 ASP CA . 30043 1 557 . 1 1 62 62 ASP CB C 13 38.986 0.3 . 1 . . . . . 61 ASP CB . 30043 1 558 . 1 1 62 62 ASP N N 15 124.845 0.3 . 1 . . . . . 61 ASP N . 30043 1 559 . 1 1 63 63 GLU H H 1 8.455 0.02 . 1 . . . . . 62 GLU H . 30043 1 560 . 1 1 63 63 GLU HA H 1 4.182 0.02 . 1 . . . . . 62 GLU HA . 30043 1 561 . 1 1 63 63 GLU HB2 H 1 2.232 0.02 . 2 . . . . . 62 GLU HB2 . 30043 1 562 . 1 1 63 63 GLU HB3 H 1 1.757 0.02 . 2 . . . . . 62 GLU HB3 . 30043 1 563 . 1 1 63 63 GLU HG2 H 1 2.213 0.02 . 2 . . . . . 62 GLU HG2 . 30043 1 564 . 1 1 63 63 GLU HG3 H 1 2.143 0.02 . 2 . . . . . 62 GLU HG3 . 30043 1 565 . 1 1 63 63 GLU CA C 13 56.394 0.3 . 1 . . . . . 62 GLU CA . 30043 1 566 . 1 1 63 63 GLU CB C 13 29.179 0.3 . 1 . . . . . 62 GLU CB . 30043 1 567 . 1 1 63 63 GLU CG C 13 35.892 0.3 . 1 . . . . . 62 GLU CG . 30043 1 568 . 1 1 63 63 GLU N N 15 121.184 0.3 . 1 . . . . . 62 GLU N . 30043 1 569 . 1 1 64 64 THR H H 1 7.834 0.02 . 1 . . . . . 63 THR H . 30043 1 570 . 1 1 64 64 THR HA H 1 4.325 0.02 . 1 . . . . . 63 THR HA . 30043 1 571 . 1 1 64 64 THR HB H 1 3.465 0.02 . 1 . . . . . 63 THR HB . 30043 1 572 . 1 1 64 64 THR HG21 H 1 0.661 0.02 . 1 . . . . . 63 THR HG21 . 30043 1 573 . 1 1 64 64 THR HG22 H 1 0.661 0.02 . 1 . . . . . 63 THR HG22 . 30043 1 574 . 1 1 64 64 THR HG23 H 1 0.661 0.02 . 1 . . . . . 63 THR HG23 . 30043 1 575 . 1 1 64 64 THR CA C 13 62.393 0.3 . 1 . . . . . 63 THR CA . 30043 1 576 . 1 1 64 64 THR CB C 13 71.146 0.3 . 1 . . . . . 63 THR CB . 30043 1 577 . 1 1 64 64 THR CG2 C 13 21.118 0.3 . 1 . . . . . 63 THR CG2 . 30043 1 578 . 1 1 64 64 THR N N 15 119.318 0.3 . 1 . . . . . 63 THR N . 30043 1 579 . 1 1 65 65 TYR H H 1 8.223 0.02 . 1 . . . . . 64 TYR H . 30043 1 580 . 1 1 65 65 TYR HA H 1 4.372 0.02 . 1 . . . . . 64 TYR HA . 30043 1 581 . 1 1 65 65 TYR HB2 H 1 2.373 0.02 . 2 . . . . . 64 TYR HB2 . 30043 1 582 . 1 1 65 65 TYR HB3 H 1 2.613 0.02 . 2 . . . . . 64 TYR HB3 . 30043 1 583 . 1 1 65 65 TYR CA C 13 58.211 0.3 . 1 . . . . . 64 TYR CA . 30043 1 584 . 1 1 65 65 TYR CB C 13 38.837 0.3 . 1 . . . . . 64 TYR CB . 30043 1 585 . 1 1 65 65 TYR N N 15 124.979 0.3 . 1 . . . . . 64 TYR N . 30043 1 586 . 1 1 66 66 ILE H H 1 8.627 0.02 . 1 . . . . . 65 ILE H . 30043 1 587 . 1 1 66 66 ILE HA H 1 4.608 0.02 . 1 . . . . . 65 ILE HA . 30043 1 588 . 1 1 66 66 ILE HB H 1 1.661 0.02 . 1 . . . . . 65 ILE HB . 30043 1 589 . 1 1 66 66 ILE HG12 H 1 0.854 0.02 . 2 . . . . . 65 ILE HG12 . 30043 1 590 . 1 1 66 66 ILE HG13 H 1 0.565 0.02 . 2 . . . . . 65 ILE HG13 . 30043 1 591 . 1 1 66 66 ILE HG21 H 1 -0.578 0.02 . 1 . . . . . 65 ILE HG21 . 30043 1 592 . 1 1 66 66 ILE HG22 H 1 -0.578 0.02 . 1 . . . . . 65 ILE HG22 . 30043 1 593 . 1 1 66 66 ILE HG23 H 1 -0.578 0.02 . 1 . . . . . 65 ILE HG23 . 30043 1 594 . 1 1 66 66 ILE HD11 H 1 -0.242 0.02 . 1 . . . . . 65 ILE HD11 . 30043 1 595 . 1 1 66 66 ILE HD12 H 1 -0.242 0.02 . 1 . . . . . 65 ILE HD12 . 30043 1 596 . 1 1 66 66 ILE HD13 H 1 -0.242 0.02 . 1 . . . . . 65 ILE HD13 . 30043 1 597 . 1 1 66 66 ILE CA C 13 57.241 0.3 . 1 . . . . . 65 ILE CA . 30043 1 598 . 1 1 66 66 ILE CB C 13 35.343 0.3 . 1 . . . . . 65 ILE CB . 30043 1 599 . 1 1 66 66 ILE CG1 C 13 27.61 0.3 . 1 . . . . . 65 ILE CG1 . 30043 1 600 . 1 1 66 66 ILE CD1 C 13 15.87 0.3 . 1 . . . . . 65 ILE CD1 . 30043 1 601 . 1 1 66 66 ILE N N 15 126.31 0.3 . 1 . . . . . 65 ILE N . 30043 1 602 . 1 1 67 67 ILE H H 1 8.68 0.02 . 1 . . . . . 66 ILE H . 30043 1 603 . 1 1 67 67 ILE HA H 1 4.181 0.02 . 1 . . . . . 66 ILE HA . 30043 1 604 . 1 1 67 67 ILE HB H 1 1.614 0.02 . 1 . . . . . 66 ILE HB . 30043 1 605 . 1 1 67 67 ILE HG12 H 1 1.135 0.02 . 1 . . . . . 66 ILE HG12 . 30043 1 606 . 1 1 67 67 ILE HG13 H 1 1.135 0.02 . 1 . . . . . 66 ILE HG13 . 30043 1 607 . 1 1 67 67 ILE HG21 H 1 0.567 0.02 . 1 . . . . . 66 ILE HG21 . 30043 1 608 . 1 1 67 67 ILE HG22 H 1 0.567 0.02 . 1 . . . . . 66 ILE HG22 . 30043 1 609 . 1 1 67 67 ILE HG23 H 1 0.567 0.02 . 1 . . . . . 66 ILE HG23 . 30043 1 610 . 1 1 67 67 ILE HD11 H 1 0.423 0.02 . 1 . . . . . 66 ILE HD11 . 30043 1 611 . 1 1 67 67 ILE HD12 H 1 0.423 0.02 . 1 . . . . . 66 ILE HD12 . 30043 1 612 . 1 1 67 67 ILE HD13 H 1 0.423 0.02 . 1 . . . . . 66 ILE HD13 . 30043 1 613 . 1 1 67 67 ILE CA C 13 59.424 0.3 . 1 . . . . . 66 ILE CA . 30043 1 614 . 1 1 67 67 ILE CB C 13 38.722 0.3 . 1 . . . . . 66 ILE CB . 30043 1 615 . 1 1 67 67 ILE CG1 C 13 25.083 0.3 . 1 . . . . . 66 ILE CG1 . 30043 1 616 . 1 1 67 67 ILE CG2 C 13 17.461 0.3 . 1 . . . . . 66 ILE CG2 . 30043 1 617 . 1 1 67 67 ILE CD1 C 13 13.413 0.3 . 1 . . . . . 66 ILE CD1 . 30043 1 618 . 1 1 67 67 ILE N N 15 127.422 0.3 . 1 . . . . . 66 ILE N . 30043 1 619 . 1 1 68 68 HIS H H 1 9.104 0.02 . 1 . . . . . 67 HIS H . 30043 1 620 . 1 1 68 68 HIS HA H 1 4.371 0.02 . 1 . . . . . 67 HIS HA . 30043 1 621 . 1 1 68 68 HIS HB2 H 1 3.181 0.02 . 2 . . . . . 67 HIS HB2 . 30043 1 622 . 1 1 68 68 HIS HB3 H 1 2.566 0.02 . 2 . . . . . 67 HIS HB3 . 30043 1 623 . 1 1 68 68 HIS CA C 13 56.191 0.3 . 1 . . . . . 67 HIS CA . 30043 1 624 . 1 1 68 68 HIS CB C 13 30.114 0.3 . 1 . . . . . 67 HIS CB . 30043 1 625 . 1 1 68 68 HIS N N 15 129.253 0.3 . 1 . . . . . 67 HIS N . 30043 1 626 . 1 1 69 69 ALA H H 1 8.334 0.02 . 1 . . . . . 68 ALA H . 30043 1 627 . 1 1 69 69 ALA HA H 1 4.896 0.02 . 1 . . . . . 68 ALA HA . 30043 1 628 . 1 1 69 69 ALA HB1 H 1 0.993 0.02 . 1 . . . . . 68 ALA HB1 . 30043 1 629 . 1 1 69 69 ALA HB2 H 1 0.993 0.02 . 1 . . . . . 68 ALA HB2 . 30043 1 630 . 1 1 69 69 ALA HB3 H 1 0.993 0.02 . 1 . . . . . 68 ALA HB3 . 30043 1 631 . 1 1 69 69 ALA CA C 13 49.993 0.3 . 1 . . . . . 68 ALA CA . 30043 1 632 . 1 1 69 69 ALA CB C 13 22.096 0.3 . 1 . . . . . 68 ALA CB . 30043 1 633 . 1 1 69 69 ALA N N 15 128.419 0.3 . 1 . . . . . 68 ALA N . 30043 1 634 . 1 1 70 70 VAL H H 1 7.97 0.02 . 1 . . . . . 69 VAL H . 30043 1 635 . 1 1 70 70 VAL HA H 1 4.184 0.02 . 1 . . . . . 69 VAL HA . 30043 1 636 . 1 1 70 70 VAL HB H 1 2.084 0.02 . 1 . . . . . 69 VAL HB . 30043 1 637 . 1 1 70 70 VAL HG11 H 1 0.472 0.02 . 1 . . . . . 69 VAL HG11 . 30043 1 638 . 1 1 70 70 VAL HG12 H 1 0.472 0.02 . 1 . . . . . 69 VAL HG12 . 30043 1 639 . 1 1 70 70 VAL HG13 H 1 0.472 0.02 . 1 . . . . . 69 VAL HG13 . 30043 1 640 . 1 1 70 70 VAL HG21 H 1 0.9 0.02 . 1 . . . . . 69 VAL HG21 . 30043 1 641 . 1 1 70 70 VAL HG22 H 1 0.9 0.02 . 1 . . . . . 69 VAL HG22 . 30043 1 642 . 1 1 70 70 VAL HG23 H 1 0.9 0.02 . 1 . . . . . 69 VAL HG23 . 30043 1 643 . 1 1 70 70 VAL CA C 13 60.853 0.3 . 1 . . . . . 69 VAL CA . 30043 1 644 . 1 1 70 70 VAL CB C 13 29.958 0.3 . 1 . . . . . 69 VAL CB . 30043 1 645 . 1 1 70 70 VAL CG1 C 13 21.878 0.3 . 1 . . . . . 69 VAL CG1 . 30043 1 646 . 1 1 70 70 VAL CG2 C 13 22.983 0.3 . 1 . . . . . 69 VAL CG2 . 30043 1 647 . 1 1 70 70 VAL N N 15 125.759 0.3 . 1 . . . . . 69 VAL N . 30043 1 648 . 1 1 71 71 GLY H H 1 8.872 0.02 . 1 . . . . . 70 GLY H . 30043 1 649 . 1 1 71 71 GLY HA2 H 1 4.036 0.02 . 2 . . . . . 70 GLY HA2 . 30043 1 650 . 1 1 71 71 GLY HA3 H 1 3.376 0.02 . 2 . . . . . 70 GLY HA3 . 30043 1 651 . 1 1 71 71 GLY CA C 13 42.636 0.3 . 1 . . . . . 70 GLY CA . 30043 1 652 . 1 1 71 71 GLY N N 15 114.451 0.3 . 1 . . . . . 70 GLY N . 30043 1 653 . 1 1 72 72 PRO HA H 1 3.897 0.02 . 1 . . . . . 71 PRO HA . 30043 1 654 . 1 1 72 72 PRO HB2 H 1 1.802 0.02 . 2 . . . . . 71 PRO HB2 . 30043 1 655 . 1 1 72 72 PRO HB3 H 1 0.757 0.02 . 2 . . . . . 71 PRO HB3 . 30043 1 656 . 1 1 72 72 PRO HG2 H 1 2.421 0.02 . 2 . . . . . 71 PRO HG2 . 30043 1 657 . 1 1 72 72 PRO HG3 H 1 1.425 0.02 . 2 . . . . . 71 PRO HG3 . 30043 1 658 . 1 1 72 72 PRO HD2 H 1 3.611 0.02 . 2 . . . . . 71 PRO HD2 . 30043 1 659 . 1 1 72 72 PRO HD3 H 1 2.658 0.02 . 2 . . . . . 71 PRO HD3 . 30043 1 660 . 1 1 72 72 PRO CA C 13 61.735 0.3 . 1 . . . . . 71 PRO CA . 30043 1 661 . 1 1 72 72 PRO CB C 13 31.989 0.3 . 1 . . . . . 71 PRO CB . 30043 1 662 . 1 1 72 72 PRO CG C 13 26 0.3 . 1 . . . . . 71 PRO CG . 30043 1 663 . 1 1 72 72 PRO CD C 13 48.299 0.3 . 1 . . . . . 71 PRO CD . 30043 1 664 . 1 1 73 73 ASN H H 1 8.191 0.02 . 1 . . . . . 72 ASN H . 30043 1 665 . 1 1 73 73 ASN HA H 1 4.421 0.02 . 1 . . . . . 72 ASN HA . 30043 1 666 . 1 1 73 73 ASN HB2 H 1 2.802 0.02 . 2 . . . . . 72 ASN HB2 . 30043 1 667 . 1 1 73 73 ASN HB3 H 1 1.327 0.02 . 2 . . . . . 72 ASN HB3 . 30043 1 668 . 1 1 73 73 ASN CA C 13 50.69 0.3 . 1 . . . . . 72 ASN CA . 30043 1 669 . 1 1 73 73 ASN CB C 13 37.137 0.3 . 1 . . . . . 72 ASN CB . 30043 1 670 . 1 1 73 73 ASN N N 15 117.117 0.3 . 1 . . . . . 72 ASN N . 30043 1 671 . 1 1 74 74 PHE H H 1 9.327 0.02 . 1 . . . . . 73 PHE H . 30043 1 672 . 1 1 74 74 PHE HA H 1 4.085 0.02 . 1 . . . . . 73 PHE HA . 30043 1 673 . 1 1 74 74 PHE HB2 H 1 3.09 0.02 . 2 . . . . . 73 PHE HB2 . 30043 1 674 . 1 1 74 74 PHE HB3 H 1 2.898 0.02 . 2 . . . . . 73 PHE HB3 . 30043 1 675 . 1 1 74 74 PHE CA C 13 61.744 0.3 . 1 . . . . . 73 PHE CA . 30043 1 676 . 1 1 74 74 PHE CB C 13 38.492 0.3 . 1 . . . . . 73 PHE CB . 30043 1 677 . 1 1 74 74 PHE N N 15 123.391 0.3 . 1 . . . . . 73 PHE N . 30043 1 678 . 1 1 75 75 ASN H H 1 8.182 0.02 . 1 . . . . . 74 ASN H . 30043 1 679 . 1 1 75 75 ASN HA H 1 4.419 0.02 . 1 . . . . . 74 ASN HA . 30043 1 680 . 1 1 75 75 ASN HB2 H 1 2.562 0.02 . 2 . . . . . 74 ASN HB2 . 30043 1 681 . 1 1 75 75 ASN HB3 H 1 2.518 0.02 . 2 . . . . . 74 ASN HB3 . 30043 1 682 . 1 1 75 75 ASN CA C 13 56.123 0.3 . 1 . . . . . 74 ASN CA . 30043 1 683 . 1 1 75 75 ASN CB C 13 39.034 0.3 . 1 . . . . . 74 ASN CB . 30043 1 684 . 1 1 75 75 ASN N N 15 116.223 0.3 . 1 . . . . . 74 ASN N . 30043 1 685 . 1 1 76 76 ASN H H 1 7.901 0.02 . 1 . . . . . 75 ASN H . 30043 1 686 . 1 1 76 76 ASN HA H 1 4.896 0.02 . 1 . . . . . 75 ASN HA . 30043 1 687 . 1 1 76 76 ASN HB2 H 1 2.802 0.02 . 2 . . . . . 75 ASN HB2 . 30043 1 688 . 1 1 76 76 ASN HB3 H 1 2.547 0.02 . 2 . . . . . 75 ASN HB3 . 30043 1 689 . 1 1 76 76 ASN CA C 13 52.143 0.3 . 1 . . . . . 75 ASN CA . 30043 1 690 . 1 1 76 76 ASN CB C 13 39.938 0.3 . 1 . . . . . 75 ASN CB . 30043 1 691 . 1 1 76 76 ASN N N 15 114.81 0.3 . 1 . . . . . 75 ASN N . 30043 1 692 . 1 1 77 77 THR H H 1 7.059 0.02 . 1 . . . . . 76 THR H . 30043 1 693 . 1 1 77 77 THR HA H 1 4.562 0.02 . 1 . . . . . 76 THR HA . 30043 1 694 . 1 1 77 77 THR HB H 1 3.611 0.02 . 1 . . . . . 76 THR HB . 30043 1 695 . 1 1 77 77 THR HG21 H 1 0.758 0.02 . 1 . . . . . 76 THR HG21 . 30043 1 696 . 1 1 77 77 THR HG22 H 1 0.758 0.02 . 1 . . . . . 76 THR HG22 . 30043 1 697 . 1 1 77 77 THR HG23 H 1 0.758 0.02 . 1 . . . . . 76 THR HG23 . 30043 1 698 . 1 1 77 77 THR CA C 13 59.83 0.3 . 1 . . . . . 76 THR CA . 30043 1 699 . 1 1 77 77 THR CB C 13 70.033 0.3 . 1 . . . . . 76 THR CB . 30043 1 700 . 1 1 77 77 THR N N 15 114.894 0.3 . 1 . . . . . 76 THR N . 30043 1 701 . 1 1 78 78 SER H H 1 8.135 0.02 . 1 . . . . . 77 SER H . 30043 1 702 . 1 1 78 78 SER HA H 1 4.609 0.02 . 1 . . . . . 77 SER HA . 30043 1 703 . 1 1 78 78 SER HB2 H 1 4.326 0.02 . 1 . . . . . 77 SER HB2 . 30043 1 704 . 1 1 78 78 SER HB3 H 1 4.326 0.02 . 1 . . . . . 77 SER HB3 . 30043 1 705 . 1 1 78 78 SER CA C 13 57.107 0.3 . 1 . . . . . 77 SER CA . 30043 1 706 . 1 1 78 78 SER CB C 13 64.975 0.3 . 1 . . . . . 77 SER CB . 30043 1 707 . 1 1 78 78 SER N N 15 118.528 0.3 . 1 . . . . . 77 SER N . 30043 1 708 . 1 1 79 79 GLU H H 1 8.962 0.02 . 1 . . . . . 78 GLU H . 30043 1 709 . 1 1 79 79 GLU HA H 1 4.237 0.02 . 1 . . . . . 78 GLU HA . 30043 1 710 . 1 1 79 79 GLU HB2 H 1 2.136 0.02 . 1 . . . . . 78 GLU HB2 . 30043 1 711 . 1 1 79 79 GLU HB3 H 1 2.136 0.02 . 1 . . . . . 78 GLU HB3 . 30043 1 712 . 1 1 79 79 GLU HG2 H 1 2.492 0.02 . 2 . . . . . 78 GLU HG2 . 30043 1 713 . 1 1 79 79 GLU HG3 H 1 2.422 0.02 . 2 . . . . . 78 GLU HG3 . 30043 1 714 . 1 1 79 79 GLU CA C 13 59.595 0.3 . 1 . . . . . 78 GLU CA . 30043 1 715 . 1 1 79 79 GLU CB C 13 28.336 0.3 . 1 . . . . . 78 GLU CB . 30043 1 716 . 1 1 79 79 GLU CG C 13 35.212 0.3 . 1 . . . . . 78 GLU CG . 30043 1 717 . 1 1 79 79 GLU N N 15 121.323 0.3 . 1 . . . . . 78 GLU N . 30043 1 718 . 1 1 80 80 ALA H H 1 8.765 0.02 . 1 . . . . . 79 ALA H . 30043 1 719 . 1 1 80 80 ALA HA H 1 4.182 0.02 . 1 . . . . . 79 ALA HA . 30043 1 720 . 1 1 80 80 ALA HB1 H 1 1.375 0.02 . 1 . . . . . 79 ALA HB1 . 30043 1 721 . 1 1 80 80 ALA HB2 H 1 1.375 0.02 . 1 . . . . . 79 ALA HB2 . 30043 1 722 . 1 1 80 80 ALA HB3 H 1 1.375 0.02 . 1 . . . . . 79 ALA HB3 . 30043 1 723 . 1 1 80 80 ALA CA C 13 55.227 0.3 . 1 . . . . . 79 ALA CA . 30043 1 724 . 1 1 80 80 ALA CB C 13 18.328 0.3 . 1 . . . . . 79 ALA CB . 30043 1 725 . 1 1 80 80 ALA N N 15 122.422 0.3 . 1 . . . . . 79 ALA N . 30043 1 726 . 1 1 81 81 GLU H H 1 7.759 0.02 . 1 . . . . . 80 GLU H . 30043 1 727 . 1 1 81 81 GLU HA H 1 3.752 0.02 . 1 . . . . . 80 GLU HA . 30043 1 728 . 1 1 81 81 GLU HB2 H 1 1.944 0.02 . 2 . . . . . 80 GLU HB2 . 30043 1 729 . 1 1 81 81 GLU HB3 H 1 1.877 0.02 . 2 . . . . . 80 GLU HB3 . 30043 1 730 . 1 1 81 81 GLU HG2 H 1 2.134 0.02 . 2 . . . . . 80 GLU HG2 . 30043 1 731 . 1 1 81 81 GLU HG3 H 1 2.042 0.02 . 2 . . . . . 80 GLU HG3 . 30043 1 732 . 1 1 81 81 GLU CA C 13 59.035 0.3 . 1 . . . . . 80 GLU CA . 30043 1 733 . 1 1 81 81 GLU CB C 13 29.561 0.3 . 1 . . . . . 80 GLU CB . 30043 1 734 . 1 1 81 81 GLU CG C 13 37.106 0.3 . 1 . . . . . 80 GLU CG . 30043 1 735 . 1 1 81 81 GLU N N 15 119.564 0.3 . 1 . . . . . 80 GLU N . 30043 1 736 . 1 1 82 82 GLY H H 1 8.702 0.02 . 1 . . . . . 81 GLY H . 30043 1 737 . 1 1 82 82 GLY HA2 H 1 3.328 0.02 . 2 . . . . . 81 GLY HA2 . 30043 1 738 . 1 1 82 82 GLY HA3 H 1 3.288 0.02 . 2 . . . . . 81 GLY HA3 . 30043 1 739 . 1 1 82 82 GLY CA C 13 46.993 0.3 . 1 . . . . . 81 GLY CA . 30043 1 740 . 1 1 82 82 GLY N N 15 106.784 0.3 . 1 . . . . . 81 GLY N . 30043 1 741 . 1 1 83 83 ASP H H 1 8.377 0.02 . 1 . . . . . 82 ASP H . 30043 1 742 . 1 1 83 83 ASP HA H 1 4.42 0.02 . 1 . . . . . 82 ASP HA . 30043 1 743 . 1 1 83 83 ASP HB2 H 1 2.662 0.02 . 2 . . . . . 82 ASP HB2 . 30043 1 744 . 1 1 83 83 ASP HB3 H 1 2.802 0.02 . 2 . . . . . 82 ASP HB3 . 30043 1 745 . 1 1 83 83 ASP CA C 13 59.424 0.3 . 1 . . . . . 82 ASP CA . 30043 1 746 . 1 1 83 83 ASP CB C 13 42.455 0.3 . 1 . . . . . 82 ASP CB . 30043 1 747 . 1 1 83 83 ASP N N 15 122.465 0.3 . 1 . . . . . 82 ASP N . 30043 1 748 . 1 1 84 84 ARG H H 1 7.063 0.02 . 1 . . . . . 83 ARG H . 30043 1 749 . 1 1 84 84 ARG HA H 1 3.945 0.02 . 1 . . . . . 83 ARG HA . 30043 1 750 . 1 1 84 84 ARG HB2 H 1 2.038 0.02 . 1 . . . . . 83 ARG HB2 . 30043 1 751 . 1 1 84 84 ARG HB3 H 1 2.038 0.02 . 1 . . . . . 83 ARG HB3 . 30043 1 752 . 1 1 84 84 ARG HG2 H 1 1.899 0.02 . 1 . . . . . 83 ARG HG2 . 30043 1 753 . 1 1 84 84 ARG HG3 H 1 1.899 0.02 . 1 . . . . . 83 ARG HG3 . 30043 1 754 . 1 1 84 84 ARG HD2 H 1 3.132 0.02 . 1 . . . . . 83 ARG HD2 . 30043 1 755 . 1 1 84 84 ARG HD3 H 1 3.132 0.02 . 1 . . . . . 83 ARG HD3 . 30043 1 756 . 1 1 84 84 ARG CA C 13 58.726 0.3 . 1 . . . . . 83 ARG CA . 30043 1 757 . 1 1 84 84 ARG CB C 13 29.468 0.3 . 1 . . . . . 83 ARG CB . 30043 1 758 . 1 1 84 84 ARG CG C 13 26.438 0.3 . 1 . . . . . 83 ARG CG . 30043 1 759 . 1 1 84 84 ARG CD C 13 43.088 0.3 . 1 . . . . . 83 ARG CD . 30043 1 760 . 1 1 84 84 ARG N N 15 117.099 0.3 . 1 . . . . . 83 ARG N . 30043 1 761 . 1 1 85 85 ASP H H 1 8.189 0.02 . 1 . . . . . 84 ASP H . 30043 1 762 . 1 1 85 85 ASP HA H 1 4.464 0.02 . 1 . . . . . 84 ASP HA . 30043 1 763 . 1 1 85 85 ASP HB2 H 1 2.326 0.02 . 2 . . . . . 84 ASP HB2 . 30043 1 764 . 1 1 85 85 ASP HB3 H 1 2.086 0.02 . 2 . . . . . 84 ASP HB3 . 30043 1 765 . 1 1 85 85 ASP CA C 13 56.996 0.3 . 1 . . . . . 84 ASP CA . 30043 1 766 . 1 1 85 85 ASP CB C 13 40.134 0.3 . 1 . . . . . 84 ASP CB . 30043 1 767 . 1 1 85 85 ASP N N 15 121.983 0.3 . 1 . . . . . 84 ASP N . 30043 1 768 . 1 1 86 86 LEU H H 1 8.606 0.02 . 1 . . . . . 85 LEU H . 30043 1 769 . 1 1 86 86 LEU HA H 1 3.896 0.02 . 1 . . . . . 85 LEU HA . 30043 1 770 . 1 1 86 86 LEU HB2 H 1 2.138 0.02 . 2 . . . . . 85 LEU HB2 . 30043 1 771 . 1 1 86 86 LEU HB3 H 1 1.426 0.02 . 2 . . . . . 85 LEU HB3 . 30043 1 772 . 1 1 86 86 LEU HG H 1 1.181 0.02 . 1 . . . . . 85 LEU HG . 30043 1 773 . 1 1 86 86 LEU HD11 H 1 1.046 0.02 . 1 . . . . . 85 LEU HD11 . 30043 1 774 . 1 1 86 86 LEU HD12 H 1 1.046 0.02 . 1 . . . . . 85 LEU HD12 . 30043 1 775 . 1 1 86 86 LEU HD13 H 1 1.046 0.02 . 1 . . . . . 85 LEU HD13 . 30043 1 776 . 1 1 86 86 LEU HD21 H 1 1.046 0.02 . 1 . . . . . 85 LEU HD21 . 30043 1 777 . 1 1 86 86 LEU HD22 H 1 1.046 0.02 . 1 . . . . . 85 LEU HD22 . 30043 1 778 . 1 1 86 86 LEU HD23 H 1 1.046 0.02 . 1 . . . . . 85 LEU HD23 . 30043 1 779 . 1 1 86 86 LEU CA C 13 57.05 0.3 . 1 . . . . . 85 LEU CA . 30043 1 780 . 1 1 86 86 LEU CB C 13 41.461 0.3 . 1 . . . . . 85 LEU CB . 30043 1 781 . 1 1 86 86 LEU CG C 13 26.193 0.3 . 1 . . . . . 85 LEU CG . 30043 1 782 . 1 1 86 86 LEU CD1 C 13 23.391 0.3 . 1 . . . . . 85 LEU CD1 . 30043 1 783 . 1 1 86 86 LEU N N 15 124.607 0.3 . 1 . . . . . 85 LEU N . 30043 1 784 . 1 1 87 87 ALA H H 1 7.357 0.02 . 1 . . . . . 86 ALA H . 30043 1 785 . 1 1 87 87 ALA HA H 1 3.778 0.02 . 1 . . . . . 86 ALA HA . 30043 1 786 . 1 1 87 87 ALA HB1 H 1 1.04 0.02 . 1 . . . . . 86 ALA HB1 . 30043 1 787 . 1 1 87 87 ALA HB2 H 1 1.04 0.02 . 1 . . . . . 86 ALA HB2 . 30043 1 788 . 1 1 87 87 ALA HB3 H 1 1.04 0.02 . 1 . . . . . 86 ALA HB3 . 30043 1 789 . 1 1 87 87 ALA CA C 13 55.495 0.3 . 1 . . . . . 86 ALA CA . 30043 1 790 . 1 1 87 87 ALA CB C 13 17.557 0.3 . 1 . . . . . 86 ALA CB . 30043 1 791 . 1 1 87 87 ALA N N 15 121.24 0.3 . 1 . . . . . 86 ALA N . 30043 1 792 . 1 1 88 88 ALA H H 1 7.973 0.02 . 1 . . . . . 87 ALA H . 30043 1 793 . 1 1 88 88 ALA HA H 1 3.847 0.02 . 1 . . . . . 87 ALA HA . 30043 1 794 . 1 1 88 88 ALA HB1 H 1 1.562 0.02 . 1 . . . . . 87 ALA HB1 . 30043 1 795 . 1 1 88 88 ALA HB2 H 1 1.562 0.02 . 1 . . . . . 87 ALA HB2 . 30043 1 796 . 1 1 88 88 ALA HB3 H 1 1.562 0.02 . 1 . . . . . 87 ALA HB3 . 30043 1 797 . 1 1 88 88 ALA CA C 13 55.077 0.3 . 1 . . . . . 87 ALA CA . 30043 1 798 . 1 1 88 88 ALA CB C 13 18.22 0.3 . 1 . . . . . 87 ALA CB . 30043 1 799 . 1 1 88 88 ALA N N 15 120.081 0.3 . 1 . . . . . 87 ALA N . 30043 1 800 . 1 1 89 89 ALA H H 1 8.25 0.02 . 1 . . . . . 88 ALA H . 30043 1 801 . 1 1 89 89 ALA HA H 1 3.515 0.02 . 1 . . . . . 88 ALA HA . 30043 1 802 . 1 1 89 89 ALA HB1 H 1 1.041 0.02 . 1 . . . . . 88 ALA HB1 . 30043 1 803 . 1 1 89 89 ALA HB2 H 1 1.041 0.02 . 1 . . . . . 88 ALA HB2 . 30043 1 804 . 1 1 89 89 ALA HB3 H 1 1.041 0.02 . 1 . . . . . 88 ALA HB3 . 30043 1 805 . 1 1 89 89 ALA CA C 13 54.933 0.3 . 1 . . . . . 88 ALA CA . 30043 1 806 . 1 1 89 89 ALA CB C 13 17.044 0.3 . 1 . . . . . 88 ALA CB . 30043 1 807 . 1 1 89 89 ALA N N 15 122.83 0.3 . 1 . . . . . 88 ALA N . 30043 1 808 . 1 1 90 90 TYR H H 1 7.361 0.02 . 1 . . . . . 89 TYR H . 30043 1 809 . 1 1 90 90 TYR HA H 1 4.087 0.02 . 1 . . . . . 89 TYR HA . 30043 1 810 . 1 1 90 90 TYR HB2 H 1 2.898 0.02 . 2 . . . . . 89 TYR HB2 . 30043 1 811 . 1 1 90 90 TYR HB3 H 1 2.566 0.02 . 2 . . . . . 89 TYR HB3 . 30043 1 812 . 1 1 90 90 TYR CA C 13 62.719 0.3 . 1 . . . . . 89 TYR CA . 30043 1 813 . 1 1 90 90 TYR CB C 13 38.698 0.3 . 1 . . . . . 89 TYR CB . 30043 1 814 . 1 1 90 90 TYR N N 15 113.396 0.3 . 1 . . . . . 89 TYR N . 30043 1 815 . 1 1 91 91 ARG H H 1 8.205 0.02 . 1 . . . . . 90 ARG H . 30043 1 816 . 1 1 91 91 ARG HA H 1 3.851 0.02 . 1 . . . . . 90 ARG HA . 30043 1 817 . 1 1 91 91 ARG HB2 H 1 1.993 0.02 . 2 . . . . . 90 ARG HB2 . 30043 1 818 . 1 1 91 91 ARG HB3 H 1 1.902 0.02 . 2 . . . . . 90 ARG HB3 . 30043 1 819 . 1 1 91 91 ARG HG2 H 1 1.803 0.02 . 1 . . . . . 90 ARG HG2 . 30043 1 820 . 1 1 91 91 ARG HG3 H 1 1.803 0.02 . 1 . . . . . 90 ARG HG3 . 30043 1 821 . 1 1 91 91 ARG HD2 H 1 3.089 0.02 . 1 . . . . . 90 ARG HD2 . 30043 1 822 . 1 1 91 91 ARG HD3 H 1 3.089 0.02 . 1 . . . . . 90 ARG HD3 . 30043 1 823 . 1 1 91 91 ARG CA C 13 60.667 0.3 . 1 . . . . . 90 ARG CA . 30043 1 824 . 1 1 91 91 ARG CB C 13 29.429 0.3 . 1 . . . . . 90 ARG CB . 30043 1 825 . 1 1 91 91 ARG CG C 13 26.68 0.3 . 1 . . . . . 90 ARG CG . 30043 1 826 . 1 1 91 91 ARG CD C 13 43.071 0.3 . 1 . . . . . 90 ARG CD . 30043 1 827 . 1 1 91 91 ARG N N 15 120.914 0.3 . 1 . . . . . 90 ARG N . 30043 1 828 . 1 1 92 92 ALA H H 1 8.489 0.02 . 1 . . . . . 91 ALA H . 30043 1 829 . 1 1 92 92 ALA HA H 1 4.178 0.02 . 1 . . . . . 91 ALA HA . 30043 1 830 . 1 1 92 92 ALA HB1 H 1 1.517 0.02 . 1 . . . . . 91 ALA HB1 . 30043 1 831 . 1 1 92 92 ALA HB2 H 1 1.517 0.02 . 1 . . . . . 91 ALA HB2 . 30043 1 832 . 1 1 92 92 ALA HB3 H 1 1.517 0.02 . 1 . . . . . 91 ALA HB3 . 30043 1 833 . 1 1 92 92 ALA CA C 13 54.313 0.3 . 1 . . . . . 91 ALA CA . 30043 1 834 . 1 1 92 92 ALA CB C 13 17.641 0.3 . 1 . . . . . 91 ALA CB . 30043 1 835 . 1 1 92 92 ALA N N 15 124.75 0.3 . 1 . . . . . 91 ALA N . 30043 1 836 . 1 1 93 93 VAL H H 1 7.614 0.02 . 1 . . . . . 92 VAL H . 30043 1 837 . 1 1 93 93 VAL HA H 1 3.135 0.02 . 1 . . . . . 92 VAL HA . 30043 1 838 . 1 1 93 93 VAL HB H 1 2.469 0.02 . 1 . . . . . 92 VAL HB . 30043 1 839 . 1 1 93 93 VAL HG11 H 1 0.899 0.02 . 1 . . . . . 92 VAL HG11 . 30043 1 840 . 1 1 93 93 VAL HG12 H 1 0.899 0.02 . 1 . . . . . 92 VAL HG12 . 30043 1 841 . 1 1 93 93 VAL HG13 H 1 0.899 0.02 . 1 . . . . . 92 VAL HG13 . 30043 1 842 . 1 1 93 93 VAL HG21 H 1 0.852 0.02 . 1 . . . . . 92 VAL HG21 . 30043 1 843 . 1 1 93 93 VAL HG22 H 1 0.852 0.02 . 1 . . . . . 92 VAL HG22 . 30043 1 844 . 1 1 93 93 VAL HG23 H 1 0.852 0.02 . 1 . . . . . 92 VAL HG23 . 30043 1 845 . 1 1 93 93 VAL CA C 13 66.897 0.3 . 1 . . . . . 92 VAL CA . 30043 1 846 . 1 1 93 93 VAL CB C 13 31.168 0.3 . 1 . . . . . 92 VAL CB . 30043 1 847 . 1 1 93 93 VAL CG1 C 13 23.916 0.3 . 1 . . . . . 92 VAL CG1 . 30043 1 848 . 1 1 93 93 VAL CG2 C 13 21.978 0.3 . 1 . . . . . 92 VAL CG2 . 30043 1 849 . 1 1 93 93 VAL N N 15 120.251 0.3 . 1 . . . . . 92 VAL N . 30043 1 850 . 1 1 94 94 ALA H H 1 8.038 0.02 . 1 . . . . . 93 ALA H . 30043 1 851 . 1 1 94 94 ALA HA H 1 3.614 0.02 . 1 . . . . . 93 ALA HA . 30043 1 852 . 1 1 94 94 ALA HB1 H 1 1.233 0.02 . 1 . . . . . 93 ALA HB1 . 30043 1 853 . 1 1 94 94 ALA HB2 H 1 1.233 0.02 . 1 . . . . . 93 ALA HB2 . 30043 1 854 . 1 1 94 94 ALA HB3 H 1 1.233 0.02 . 1 . . . . . 93 ALA HB3 . 30043 1 855 . 1 1 94 94 ALA CA C 13 55.299 0.3 . 1 . . . . . 93 ALA CA . 30043 1 856 . 1 1 94 94 ALA CB C 13 18.122 0.3 . 1 . . . . . 93 ALA CB . 30043 1 857 . 1 1 94 94 ALA N N 15 122.224 0.3 . 1 . . . . . 93 ALA N . 30043 1 858 . 1 1 95 95 ALA H H 1 8.009 0.02 . 1 . . . . . 94 ALA H . 30043 1 859 . 1 1 95 95 ALA HA H 1 4.088 0.02 . 1 . . . . . 94 ALA HA . 30043 1 860 . 1 1 95 95 ALA HB1 H 1 1.47 0.02 . 1 . . . . . 94 ALA HB1 . 30043 1 861 . 1 1 95 95 ALA HB2 H 1 1.47 0.02 . 1 . . . . . 94 ALA HB2 . 30043 1 862 . 1 1 95 95 ALA HB3 H 1 1.47 0.02 . 1 . . . . . 94 ALA HB3 . 30043 1 863 . 1 1 95 95 ALA CA C 13 54.811 0.3 . 1 . . . . . 94 ALA CA . 30043 1 864 . 1 1 95 95 ALA CB C 13 17.63 0.3 . 1 . . . . . 94 ALA CB . 30043 1 865 . 1 1 95 95 ALA N N 15 118.751 0.3 . 1 . . . . . 94 ALA N . 30043 1 866 . 1 1 96 96 GLU H H 1 7.523 0.02 . 1 . . . . . 95 GLU H . 30043 1 867 . 1 1 96 96 GLU HA H 1 4.04 0.02 . 1 . . . . . 95 GLU HA . 30043 1 868 . 1 1 96 96 GLU HB2 H 1 2.134 0.02 . 2 . . . . . 95 GLU HB2 . 30043 1 869 . 1 1 96 96 GLU HB3 H 1 1.993 0.02 . 2 . . . . . 95 GLU HB3 . 30043 1 870 . 1 1 96 96 GLU HG2 H 1 2.374 0.02 . 1 . . . . . 95 GLU HG2 . 30043 1 871 . 1 1 96 96 GLU HG3 H 1 2.374 0.02 . 1 . . . . . 95 GLU HG3 . 30043 1 872 . 1 1 96 96 GLU CA C 13 57.797 0.3 . 1 . . . . . 95 GLU CA . 30043 1 873 . 1 1 96 96 GLU CB C 13 28.494 0.3 . 1 . . . . . 95 GLU CB . 30043 1 874 . 1 1 96 96 GLU CG C 13 33.877 0.3 . 1 . . . . . 95 GLU CG . 30043 1 875 . 1 1 96 96 GLU N N 15 119.726 0.3 . 1 . . . . . 95 GLU N . 30043 1 876 . 1 1 97 97 ILE H H 1 7.976 0.02 . 1 . . . . . 96 ILE H . 30043 1 877 . 1 1 97 97 ILE HA H 1 3.279 0.02 . 1 . . . . . 96 ILE HA . 30043 1 878 . 1 1 97 97 ILE HB H 1 1.996 0.02 . 1 . . . . . 96 ILE HB . 30043 1 879 . 1 1 97 97 ILE HG12 H 1 1.279 0.02 . 1 . . . . . 96 ILE HG12 . 30043 1 880 . 1 1 97 97 ILE HG13 H 1 1.279 0.02 . 1 . . . . . 96 ILE HG13 . 30043 1 881 . 1 1 97 97 ILE HG21 H 1 0.757 0.02 . 1 . . . . . 96 ILE HG21 . 30043 1 882 . 1 1 97 97 ILE HG22 H 1 0.757 0.02 . 1 . . . . . 96 ILE HG22 . 30043 1 883 . 1 1 97 97 ILE HG23 H 1 0.757 0.02 . 1 . . . . . 96 ILE HG23 . 30043 1 884 . 1 1 97 97 ILE HD11 H 1 0.519 0.02 . 1 . . . . . 96 ILE HD11 . 30043 1 885 . 1 1 97 97 ILE HD12 H 1 0.519 0.02 . 1 . . . . . 96 ILE HD12 . 30043 1 886 . 1 1 97 97 ILE HD13 H 1 0.519 0.02 . 1 . . . . . 96 ILE HD13 . 30043 1 887 . 1 1 97 97 ILE CA C 13 63.747 0.3 . 1 . . . . . 96 ILE CA . 30043 1 888 . 1 1 97 97 ILE CB C 13 36.656 0.3 . 1 . . . . . 96 ILE CB . 30043 1 889 . 1 1 97 97 ILE CG1 C 13 28.508 0.3 . 1 . . . . . 96 ILE CG1 . 30043 1 890 . 1 1 97 97 ILE CG2 C 13 16.975 0.3 . 1 . . . . . 96 ILE CG2 . 30043 1 891 . 1 1 97 97 ILE CD1 C 13 13.892 0.3 . 1 . . . . . 96 ILE CD1 . 30043 1 892 . 1 1 97 97 ILE N N 15 119.816 0.3 . 1 . . . . . 96 ILE N . 30043 1 893 . 1 1 98 98 ASN H H 1 8.147 0.02 . 1 . . . . . 97 ASN H . 30043 1 894 . 1 1 98 98 ASN HA H 1 4.418 0.02 . 1 . . . . . 97 ASN HA . 30043 1 895 . 1 1 98 98 ASN HB2 H 1 2.755 0.02 . 2 . . . . . 97 ASN HB2 . 30043 1 896 . 1 1 98 98 ASN HB3 H 1 2.66 0.02 . 2 . . . . . 97 ASN HB3 . 30043 1 897 . 1 1 98 98 ASN CA C 13 54.963 0.3 . 1 . . . . . 97 ASN CA . 30043 1 898 . 1 1 98 98 ASN CB C 13 37.341 0.3 . 1 . . . . . 97 ASN CB . 30043 1 899 . 1 1 98 98 ASN N N 15 116.714 0.3 . 1 . . . . . 97 ASN N . 30043 1 900 . 1 1 99 99 ARG H H 1 8.315 0.02 . 1 . . . . . 98 ARG H . 30043 1 901 . 1 1 99 99 ARG HA H 1 3.993 0.02 . 1 . . . . . 98 ARG HA . 30043 1 902 . 1 1 99 99 ARG HB2 H 1 1.851 0.02 . 1 . . . . . 98 ARG HB2 . 30043 1 903 . 1 1 99 99 ARG HB3 H 1 1.851 0.02 . 1 . . . . . 98 ARG HB3 . 30043 1 904 . 1 1 99 99 ARG HG2 H 1 1.515 0.02 . 2 . . . . . 98 ARG HG2 . 30043 1 905 . 1 1 99 99 ARG HG3 H 1 1.372 0.02 . 2 . . . . . 98 ARG HG3 . 30043 1 906 . 1 1 99 99 ARG HD2 H 1 2.696 0.02 . 1 . . . . . 98 ARG HD2 . 30043 1 907 . 1 1 99 99 ARG HD3 H 1 2.696 0.02 . 1 . . . . . 98 ARG HD3 . 30043 1 908 . 1 1 99 99 ARG CA C 13 59.193 0.3 . 1 . . . . . 98 ARG CA . 30043 1 909 . 1 1 99 99 ARG CB C 13 30.578 0.3 . 1 . . . . . 98 ARG CB . 30043 1 910 . 1 1 99 99 ARG CG C 13 27.843 0.3 . 1 . . . . . 98 ARG CG . 30043 1 911 . 1 1 99 99 ARG CD C 13 43.127 0.3 . 1 . . . . . 98 ARG CD . 30043 1 912 . 1 1 99 99 ARG N N 15 122.789 0.3 . 1 . . . . . 98 ARG N . 30043 1 913 . 1 1 100 100 LEU H H 1 7.644 0.02 . 1 . . . . . 99 LEU H . 30043 1 914 . 1 1 100 100 LEU HA H 1 4.135 0.02 . 1 . . . . . 99 LEU HA . 30043 1 915 . 1 1 100 100 LEU HB2 H 1 1.369 0.02 . 2 . . . . . 99 LEU HB2 . 30043 1 916 . 1 1 100 100 LEU HB3 H 1 1.041 0.02 . 2 . . . . . 99 LEU HB3 . 30043 1 917 . 1 1 100 100 LEU HG H 1 0.28 0.02 . 1 . . . . . 99 LEU HG . 30043 1 918 . 1 1 100 100 LEU HD11 H 1 1.269 0.02 . 1 . . . . . 99 LEU HD11 . 30043 1 919 . 1 1 100 100 LEU HD12 H 1 1.269 0.02 . 1 . . . . . 99 LEU HD12 . 30043 1 920 . 1 1 100 100 LEU HD13 H 1 1.269 0.02 . 1 . . . . . 99 LEU HD13 . 30043 1 921 . 1 1 100 100 LEU HD21 H 1 0.661 0.02 . 1 . . . . . 99 LEU HD21 . 30043 1 922 . 1 1 100 100 LEU HD22 H 1 0.661 0.02 . 1 . . . . . 99 LEU HD22 . 30043 1 923 . 1 1 100 100 LEU HD23 H 1 0.661 0.02 . 1 . . . . . 99 LEU HD23 . 30043 1 924 . 1 1 100 100 LEU CA C 13 54.219 0.3 . 1 . . . . . 99 LEU CA . 30043 1 925 . 1 1 100 100 LEU CB C 13 41.899 0.3 . 1 . . . . . 99 LEU CB . 30043 1 926 . 1 1 100 100 LEU CG C 13 25.329 0.3 . 1 . . . . . 99 LEU CG . 30043 1 927 . 1 1 100 100 LEU CD1 C 13 26.86 0.3 . 1 . . . . . 99 LEU CD1 . 30043 1 928 . 1 1 100 100 LEU CD2 C 13 21.773 0.3 . 1 . . . . . 99 LEU CD2 . 30043 1 929 . 1 1 100 100 LEU N N 15 117.553 0.3 . 1 . . . . . 99 LEU N . 30043 1 930 . 1 1 101 101 SER H H 1 7.596 0.02 . 1 . . . . . 100 SER H . 30043 1 931 . 1 1 101 101 SER HA H 1 3.903 0.02 . 1 . . . . . 100 SER HA . 30043 1 932 . 1 1 101 101 SER HB2 H 1 3.945 0.02 . 2 . . . . . 100 SER HB2 . 30043 1 933 . 1 1 101 101 SER HB3 H 1 3.847 0.02 . 2 . . . . . 100 SER HB3 . 30043 1 934 . 1 1 101 101 SER CA C 13 58.169 0.3 . 1 . . . . . 100 SER CA . 30043 1 935 . 1 1 101 101 SER CB C 13 60.999 0.3 . 1 . . . . . 100 SER CB . 30043 1 936 . 1 1 101 101 SER N N 15 115.659 0.3 . 1 . . . . . 100 SER N . 30043 1 937 . 1 1 102 102 ILE H H 1 7.587 0.02 . 1 . . . . . 101 ILE H . 30043 1 938 . 1 1 102 102 ILE HA H 1 3.897 0.02 . 1 . . . . . 101 ILE HA . 30043 1 939 . 1 1 102 102 ILE HG12 H 1 0.804 0.02 . 1 . . . . . 101 ILE HG12 . 30043 1 940 . 1 1 102 102 ILE HG13 H 1 0.804 0.02 . 1 . . . . . 101 ILE HG13 . 30043 1 941 . 1 1 102 102 ILE HG21 H 1 0.755 0.02 . 1 . . . . . 101 ILE HG21 . 30043 1 942 . 1 1 102 102 ILE HG22 H 1 0.755 0.02 . 1 . . . . . 101 ILE HG22 . 30043 1 943 . 1 1 102 102 ILE HG23 H 1 0.755 0.02 . 1 . . . . . 101 ILE HG23 . 30043 1 944 . 1 1 102 102 ILE HD11 H 1 0.232 0.02 . 1 . . . . . 101 ILE HD11 . 30043 1 945 . 1 1 102 102 ILE HD12 H 1 0.232 0.02 . 1 . . . . . 101 ILE HD12 . 30043 1 946 . 1 1 102 102 ILE HD13 H 1 0.232 0.02 . 1 . . . . . 101 ILE HD13 . 30043 1 947 . 1 1 102 102 ILE CA C 13 61.246 0.3 . 1 . . . . . 101 ILE CA . 30043 1 948 . 1 1 102 102 ILE CB C 13 38.603 0.3 . 1 . . . . . 101 ILE CB . 30043 1 949 . 1 1 102 102 ILE CG1 C 13 19.573 0.3 . 1 . . . . . 101 ILE CG1 . 30043 1 950 . 1 1 102 102 ILE CG2 C 13 16.246 0.3 . 1 . . . . . 101 ILE CG2 . 30043 1 951 . 1 1 102 102 ILE CD1 C 13 13.508 0.3 . 1 . . . . . 101 ILE CD1 . 30043 1 952 . 1 1 102 102 ILE N N 15 120.659 0.3 . 1 . . . . . 101 ILE N . 30043 1 953 . 1 1 103 103 SER H H 1 9.193 0.02 . 1 . . . . . 102 SER H . 30043 1 954 . 1 1 103 103 SER HA H 1 4.324 0.02 . 1 . . . . . 102 SER HA . 30043 1 955 . 1 1 103 103 SER HB2 H 1 3.926 0.02 . 2 . . . . . 102 SER HB2 . 30043 1 956 . 1 1 103 103 SER HB3 H 1 3.838 0.02 . 2 . . . . . 102 SER HB3 . 30043 1 957 . 1 1 103 103 SER CA C 13 60.399 0.3 . 1 . . . . . 102 SER CA . 30043 1 958 . 1 1 103 103 SER CB C 13 64.021 0.3 . 1 . . . . . 102 SER CB . 30043 1 959 . 1 1 103 103 SER N N 15 122.596 0.3 . 1 . . . . . 102 SER N . 30043 1 960 . 1 1 104 104 SER H H 1 7.429 0.02 . 1 . . . . . 103 SER H . 30043 1 961 . 1 1 104 104 SER HA H 1 5.609 0.02 . 1 . . . . . 103 SER HA . 30043 1 962 . 1 1 104 104 SER HB2 H 1 3.922 0.02 . 2 . . . . . 103 SER HB2 . 30043 1 963 . 1 1 104 104 SER HB3 H 1 3.823 0.02 . 2 . . . . . 103 SER HB3 . 30043 1 964 . 1 1 104 104 SER CA C 13 56.048 0.3 . 1 . . . . . 103 SER CA . 30043 1 965 . 1 1 104 104 SER CB C 13 65.944 0.3 . 1 . . . . . 103 SER CB . 30043 1 966 . 1 1 104 104 SER N N 15 114.775 0.3 . 1 . . . . . 103 SER N . 30043 1 967 . 1 1 105 105 VAL H H 1 8.664 0.02 . 1 . . . . . 104 VAL H . 30043 1 968 . 1 1 105 105 VAL HA H 1 5.131 0.02 . 1 . . . . . 104 VAL HA . 30043 1 969 . 1 1 105 105 VAL HB H 1 1.661 0.02 . 1 . . . . . 104 VAL HB . 30043 1 970 . 1 1 105 105 VAL HG11 H 1 0.756 0.02 . 1 . . . . . 104 VAL HG11 . 30043 1 971 . 1 1 105 105 VAL HG12 H 1 0.756 0.02 . 1 . . . . . 104 VAL HG12 . 30043 1 972 . 1 1 105 105 VAL HG13 H 1 0.756 0.02 . 1 . . . . . 104 VAL HG13 . 30043 1 973 . 1 1 105 105 VAL HG21 H 1 0.657 0.02 . 1 . . . . . 104 VAL HG21 . 30043 1 974 . 1 1 105 105 VAL HG22 H 1 0.657 0.02 . 1 . . . . . 104 VAL HG22 . 30043 1 975 . 1 1 105 105 VAL HG23 H 1 0.657 0.02 . 1 . . . . . 104 VAL HG23 . 30043 1 976 . 1 1 105 105 VAL CA C 13 58.337 0.3 . 1 . . . . . 104 VAL CA . 30043 1 977 . 1 1 105 105 VAL CB C 13 35.271 0.3 . 1 . . . . . 104 VAL CB . 30043 1 978 . 1 1 105 105 VAL CG1 C 13 20.037 0.3 . 1 . . . . . 104 VAL CG1 . 30043 1 979 . 1 1 105 105 VAL CG2 C 13 21.993 0.3 . 1 . . . . . 104 VAL CG2 . 30043 1 980 . 1 1 105 105 VAL N N 15 118.723 0.3 . 1 . . . . . 104 VAL N . 30043 1 981 . 1 1 106 106 ALA H H 1 8.886 0.02 . 1 . . . . . 105 ALA H . 30043 1 982 . 1 1 106 106 ALA HA H 1 5.468 0.02 . 1 . . . . . 105 ALA HA . 30043 1 983 . 1 1 106 106 ALA HB1 H 1 1.423 0.02 . 1 . . . . . 105 ALA HB1 . 30043 1 984 . 1 1 106 106 ALA HB2 H 1 1.423 0.02 . 1 . . . . . 105 ALA HB2 . 30043 1 985 . 1 1 106 106 ALA HB3 H 1 1.423 0.02 . 1 . . . . . 105 ALA HB3 . 30043 1 986 . 1 1 106 106 ALA CA C 13 49.629 0.3 . 1 . . . . . 105 ALA CA . 30043 1 987 . 1 1 106 106 ALA CB C 13 22.49 0.3 . 1 . . . . . 105 ALA CB . 30043 1 988 . 1 1 106 106 ALA N N 15 133.041 0.3 . 1 . . . . . 105 ALA N . 30043 1 989 . 1 1 107 107 ILE H H 1 9.414 0.02 . 1 . . . . . 106 ILE H . 30043 1 990 . 1 1 107 107 ILE HA H 1 5.089 0.02 . 1 . . . . . 106 ILE HA . 30043 1 991 . 1 1 107 107 ILE HB H 1 1.612 0.02 . 1 . . . . . 106 ILE HB . 30043 1 992 . 1 1 107 107 ILE HG21 H 1 1.088 0.02 . 1 . . . . . 106 ILE HG21 . 30043 1 993 . 1 1 107 107 ILE HG22 H 1 1.088 0.02 . 1 . . . . . 106 ILE HG22 . 30043 1 994 . 1 1 107 107 ILE HG23 H 1 1.088 0.02 . 1 . . . . . 106 ILE HG23 . 30043 1 995 . 1 1 107 107 ILE HD11 H 1 0.993 0.02 . 1 . . . . . 106 ILE HD11 . 30043 1 996 . 1 1 107 107 ILE HD12 H 1 0.993 0.02 . 1 . . . . . 106 ILE HD12 . 30043 1 997 . 1 1 107 107 ILE HD13 H 1 0.993 0.02 . 1 . . . . . 106 ILE HD13 . 30043 1 998 . 1 1 107 107 ILE CA C 13 56.823 0.3 . 1 . . . . . 106 ILE CA . 30043 1 999 . 1 1 107 107 ILE CB C 13 44.391 0.3 . 1 . . . . . 106 ILE CB . 30043 1 1000 . 1 1 107 107 ILE CG1 C 13 27.375 0.3 . 1 . . . . . 106 ILE CG1 . 30043 1 1001 . 1 1 107 107 ILE CG2 C 13 16.02 0.3 . 1 . . . . . 106 ILE CG2 . 30043 1 1002 . 1 1 107 107 ILE CD1 C 13 15.116 0.3 . 1 . . . . . 106 ILE CD1 . 30043 1 1003 . 1 1 107 107 ILE N N 15 123.16 0.3 . 1 . . . . . 106 ILE N . 30043 1 1004 . 1 1 108 108 PRO HA H 1 5.516 0.02 . 1 . . . . . 107 PRO HA . 30043 1 1005 . 1 1 108 108 PRO HB2 H 1 2.154 0.02 . 2 . . . . . 107 PRO HB2 . 30043 1 1006 . 1 1 108 108 PRO HB3 H 1 1.994 0.02 . 2 . . . . . 107 PRO HB3 . 30043 1 1007 . 1 1 108 108 PRO HG2 H 1 2.1 0.02 . 2 . . . . . 107 PRO HG2 . 30043 1 1008 . 1 1 108 108 PRO HG3 H 1 1.702 0.02 . 2 . . . . . 107 PRO HG3 . 30043 1 1009 . 1 1 108 108 PRO HD2 H 1 4.039 0.02 . 2 . . . . . 107 PRO HD2 . 30043 1 1010 . 1 1 108 108 PRO HD3 H 1 3.609 0.02 . 2 . . . . . 107 PRO HD3 . 30043 1 1011 . 1 1 108 108 PRO CA C 13 60.834 0.3 . 1 . . . . . 107 PRO CA . 30043 1 1012 . 1 1 108 108 PRO CB C 13 31.984 0.3 . 1 . . . . . 107 PRO CB . 30043 1 1013 . 1 1 108 108 PRO CG C 13 25.423 0.3 . 1 . . . . . 107 PRO CG . 30043 1 1014 . 1 1 108 108 PRO CD C 13 50.474 0.3 . 1 . . . . . 107 PRO CD . 30043 1 1015 . 1 1 109 109 LEU H H 1 8.791 0.02 . 1 . . . . . 108 LEU H . 30043 1 1016 . 1 1 109 109 LEU HA H 1 4.683 0.02 . 1 . . . . . 108 LEU HA . 30043 1 1017 . 1 1 109 109 LEU HB2 H 1 2.041 0.02 . 2 . . . . . 108 LEU HB2 . 30043 1 1018 . 1 1 109 109 LEU HB3 H 1 1.132 0.02 . 2 . . . . . 108 LEU HB3 . 30043 1 1019 . 1 1 109 109 LEU HG H 1 0.9 0.02 . 1 . . . . . 108 LEU HG . 30043 1 1020 . 1 1 109 109 LEU HD11 H 1 0.755 0.02 . 1 . . . . . 108 LEU HD11 . 30043 1 1021 . 1 1 109 109 LEU HD12 H 1 0.755 0.02 . 1 . . . . . 108 LEU HD12 . 30043 1 1022 . 1 1 109 109 LEU HD13 H 1 0.755 0.02 . 1 . . . . . 108 LEU HD13 . 30043 1 1023 . 1 1 109 109 LEU HD21 H 1 0.755 0.02 . 1 . . . . . 108 LEU HD21 . 30043 1 1024 . 1 1 109 109 LEU HD22 H 1 0.755 0.02 . 1 . . . . . 108 LEU HD22 . 30043 1 1025 . 1 1 109 109 LEU HD23 H 1 0.755 0.02 . 1 . . . . . 108 LEU HD23 . 30043 1 1026 . 1 1 109 109 LEU CA C 13 53.824 0.3 . 1 . . . . . 108 LEU CA . 30043 1 1027 . 1 1 109 109 LEU CB C 13 41.019 0.3 . 1 . . . . . 108 LEU CB . 30043 1 1028 . 1 1 109 109 LEU CG C 13 27.902 0.3 . 1 . . . . . 108 LEU CG . 30043 1 1029 . 1 1 109 109 LEU CD1 C 13 24.017 0.3 . 1 . . . . . 108 LEU CD1 . 30043 1 1030 . 1 1 109 109 LEU CD2 C 13 23.694 0.3 . 1 . . . . . 108 LEU CD2 . 30043 1 1031 . 1 1 109 109 LEU N N 15 113.563 0.3 . 1 . . . . . 108 LEU N . 30043 1 1032 . 1 1 110 110 LEU H H 1 8.213 0.02 . 1 . . . . . 109 LEU H . 30043 1 1033 . 1 1 110 110 LEU HA H 1 4.186 0.02 . 1 . . . . . 109 LEU HA . 30043 1 1034 . 1 1 110 110 LEU HB2 H 1 1.47 0.02 . 2 . . . . . 109 LEU HB2 . 30043 1 1035 . 1 1 110 110 LEU HB3 H 1 0.999 0.02 . 2 . . . . . 109 LEU HB3 . 30043 1 1036 . 1 1 110 110 LEU HG H 1 1.425 0.02 . 1 . . . . . 109 LEU HG . 30043 1 1037 . 1 1 110 110 LEU HD11 H 1 -0.148 0.02 . 1 . . . . . 109 LEU HD11 . 30043 1 1038 . 1 1 110 110 LEU HD12 H 1 -0.148 0.02 . 1 . . . . . 109 LEU HD12 . 30043 1 1039 . 1 1 110 110 LEU HD13 H 1 -0.148 0.02 . 1 . . . . . 109 LEU HD13 . 30043 1 1040 . 1 1 110 110 LEU HD21 H 1 0.659 0.02 . 1 . . . . . 109 LEU HD21 . 30043 1 1041 . 1 1 110 110 LEU HD22 H 1 0.659 0.02 . 1 . . . . . 109 LEU HD22 . 30043 1 1042 . 1 1 110 110 LEU HD23 H 1 0.659 0.02 . 1 . . . . . 109 LEU HD23 . 30043 1 1043 . 1 1 110 110 LEU CA C 13 54.753 0.3 . 1 . . . . . 109 LEU CA . 30043 1 1044 . 1 1 110 110 LEU CB C 13 41.988 0.3 . 1 . . . . . 109 LEU CB . 30043 1 1045 . 1 1 110 110 LEU CG C 13 28.414 0.3 . 1 . . . . . 109 LEU CG . 30043 1 1046 . 1 1 110 110 LEU CD1 C 13 24.923 0.3 . 1 . . . . . 109 LEU CD1 . 30043 1 1047 . 1 1 110 110 LEU CD2 C 13 24.638 0.3 . 1 . . . . . 109 LEU CD2 . 30043 1 1048 . 1 1 110 110 LEU N N 15 128.269 0.3 . 1 . . . . . 109 LEU N . 30043 1 1049 . 1 1 111 111 SER H H 1 10.047 0.02 . 1 . . . . . 110 SER H . 30043 1 1050 . 1 1 111 111 SER CA C 13 61.827 0.3 . 1 . . . . . 110 SER CA . 30043 1 1051 . 1 1 111 111 SER CB C 13 59.101 0.3 . 1 . . . . . 110 SER CB . 30043 1 1052 . 1 1 111 111 SER N N 15 113.573 0.3 . 1 . . . . . 110 SER N . 30043 1 1053 . 1 1 112 112 THR H H 1 7.064 0.02 . 1 . . . . . 111 THR H . 30043 1 1054 . 1 1 112 112 THR CA C 13 60.668 0.3 . 1 . . . . . 111 THR CA . 30043 1 1055 . 1 1 112 112 THR CB C 13 70.211 0.3 . 1 . . . . . 111 THR CB . 30043 1 1056 . 1 1 112 112 THR N N 15 131.51 0.3 . 1 . . . . . 111 THR N . 30043 1 1057 . 1 1 113 113 GLY HA2 H 1 4.358 0.02 . 1 . . . . . 112 GLY HA2 . 30043 1 1058 . 1 1 113 113 GLY CA C 13 45.326 0.3 . 1 . . . . . 112 GLY CA . 30043 1 1059 . 1 1 115 115 PHE HA H 1 4.942 0.02 . 1 . . . . . 114 PHE HA . 30043 1 1060 . 1 1 115 115 PHE HB2 H 1 4.23 0.02 . 2 . . . . . 114 PHE HB2 . 30043 1 1061 . 1 1 115 115 PHE HB3 H 1 3.397 0.02 . 2 . . . . . 114 PHE HB3 . 30043 1 1062 . 1 1 115 115 PHE CA C 13 55.221 0.3 . 1 . . . . . 114 PHE CA . 30043 1 1063 . 1 1 115 115 PHE CB C 13 37.655 0.3 . 1 . . . . . 114 PHE CB . 30043 1 1064 . 1 1 116 116 SER H H 1 8.408 0.02 . 1 . . . . . 115 SER H . 30043 1 1065 . 1 1 116 116 SER HA H 1 4.23 0.02 . 1 . . . . . 115 SER HA . 30043 1 1066 . 1 1 116 116 SER HB2 H 1 4.468 0.02 . 2 . . . . . 115 SER HB2 . 30043 1 1067 . 1 1 116 116 SER HB3 H 1 4.043 0.02 . 2 . . . . . 115 SER HB3 . 30043 1 1068 . 1 1 116 116 SER CA C 13 61.277 0.3 . 1 . . . . . 115 SER CA . 30043 1 1069 . 1 1 116 116 SER CB C 13 65.208 0.3 . 1 . . . . . 115 SER CB . 30043 1 1070 . 1 1 116 116 SER N N 15 115.312 0.3 . 1 . . . . . 115 SER N . 30043 1 1071 . 1 1 117 117 ALA H H 1 8.201 0.02 . 1 . . . . . 116 ALA H . 30043 1 1072 . 1 1 117 117 ALA HA H 1 4.217 0.02 . 1 . . . . . 116 ALA HA . 30043 1 1073 . 1 1 117 117 ALA HB1 H 1 1.231 0.02 . 1 . . . . . 116 ALA HB1 . 30043 1 1074 . 1 1 117 117 ALA HB2 H 1 1.231 0.02 . 1 . . . . . 116 ALA HB2 . 30043 1 1075 . 1 1 117 117 ALA HB3 H 1 1.231 0.02 . 1 . . . . . 116 ALA HB3 . 30043 1 1076 . 1 1 117 117 ALA CA C 13 52.095 0.3 . 1 . . . . . 116 ALA CA . 30043 1 1077 . 1 1 117 117 ALA CB C 13 16.95 0.3 . 1 . . . . . 116 ALA CB . 30043 1 1078 . 1 1 117 117 ALA N N 15 123.823 0.3 . 1 . . . . . 116 ALA N . 30043 1 1079 . 1 1 118 118 GLY H H 1 8.204 0.02 . 1 . . . . . 117 GLY H . 30043 1 1080 . 1 1 118 118 GLY HA2 H 1 4.041 0.02 . 2 . . . . . 117 GLY HA2 . 30043 1 1081 . 1 1 118 118 GLY HA3 H 1 3.659 0.02 . 2 . . . . . 117 GLY HA3 . 30043 1 1082 . 1 1 118 118 GLY CA C 13 45.585 0.3 . 1 . . . . . 117 GLY CA . 30043 1 1083 . 1 1 118 118 GLY N N 15 106.186 0.3 . 1 . . . . . 117 GLY N . 30043 1 1084 . 1 1 119 119 LYS H H 1 6.782 0.02 . 1 . . . . . 118 LYS H . 30043 1 1085 . 1 1 119 119 LYS HA H 1 4.422 0.02 . 1 . . . . . 118 LYS HA . 30043 1 1086 . 1 1 119 119 LYS HB2 H 1 1.564 0.02 . 2 . . . . . 118 LYS HB2 . 30043 1 1087 . 1 1 119 119 LYS HB3 H 1 1.417 0.02 . 2 . . . . . 118 LYS HB3 . 30043 1 1088 . 1 1 119 119 LYS HG2 H 1 1.325 0.02 . 2 . . . . . 118 LYS HG2 . 30043 1 1089 . 1 1 119 119 LYS HG3 H 1 1.23 0.02 . 2 . . . . . 118 LYS HG3 . 30043 1 1090 . 1 1 119 119 LYS HD2 H 1 1.517 0.02 . 1 . . . . . 118 LYS HD2 . 30043 1 1091 . 1 1 119 119 LYS HD3 H 1 1.517 0.02 . 1 . . . . . 118 LYS HD3 . 30043 1 1092 . 1 1 119 119 LYS HE2 H 1 2.85 0.02 . 1 . . . . . 118 LYS HE2 . 30043 1 1093 . 1 1 119 119 LYS HE3 H 1 2.85 0.02 . 1 . . . . . 118 LYS HE3 . 30043 1 1094 . 1 1 119 119 LYS CA C 13 53.96 0.3 . 1 . . . . . 118 LYS CA . 30043 1 1095 . 1 1 119 119 LYS CB C 13 34.298 0.3 . 1 . . . . . 118 LYS CB . 30043 1 1096 . 1 1 119 119 LYS CG C 13 25.03 0.3 . 1 . . . . . 118 LYS CG . 30043 1 1097 . 1 1 119 119 LYS CD C 13 28.542 0.3 . 1 . . . . . 118 LYS CD . 30043 1 1098 . 1 1 119 119 LYS CE C 13 42.025 0.3 . 1 . . . . . 118 LYS CE . 30043 1 1099 . 1 1 119 119 LYS N N 15 119.726 0.3 . 1 . . . . . 118 LYS N . 30043 1 1100 . 1 1 122 122 VAL H H 1 7.739 0.02 . 1 . . . . . 121 VAL H . 30043 1 1101 . 1 1 122 122 VAL HA H 1 2.851 0.02 . 1 . . . . . 121 VAL HA . 30043 1 1102 . 1 1 122 122 VAL HB H 1 1.374 0.02 . 1 . . . . . 121 VAL HB . 30043 1 1103 . 1 1 122 122 VAL HG11 H 1 0.184 0.02 . 1 . . . . . 121 VAL HG11 . 30043 1 1104 . 1 1 122 122 VAL HG12 H 1 0.184 0.02 . 1 . . . . . 121 VAL HG12 . 30043 1 1105 . 1 1 122 122 VAL HG13 H 1 0.184 0.02 . 1 . . . . . 121 VAL HG13 . 30043 1 1106 . 1 1 122 122 VAL HG21 H 1 -0.529 0.02 . 1 . . . . . 121 VAL HG21 . 30043 1 1107 . 1 1 122 122 VAL HG22 H 1 -0.529 0.02 . 1 . . . . . 121 VAL HG22 . 30043 1 1108 . 1 1 122 122 VAL HG23 H 1 -0.529 0.02 . 1 . . . . . 121 VAL HG23 . 30043 1 1109 . 1 1 122 122 VAL CA C 13 67.598 0.3 . 1 . . . . . 121 VAL CA . 30043 1 1110 . 1 1 122 122 VAL CB C 13 30.021 0.3 . 1 . . . . . 121 VAL CB . 30043 1 1111 . 1 1 122 122 VAL CG1 C 13 18.928 0.3 . 1 . . . . . 121 VAL CG1 . 30043 1 1112 . 1 1 122 122 VAL CG2 C 13 20.582 0.3 . 1 . . . . . 121 VAL CG2 . 30043 1 1113 . 1 1 122 122 VAL N N 15 122.474 0.3 . 1 . . . . . 121 VAL N . 30043 1 1114 . 1 1 123 123 HIS H H 1 8.547 0.02 . 1 . . . . . 122 HIS H . 30043 1 1115 . 1 1 123 123 HIS HA H 1 3.904 0.02 . 1 . . . . . 122 HIS HA . 30043 1 1116 . 1 1 123 123 HIS HB2 H 1 2.854 0.02 . 2 . . . . . 122 HIS HB2 . 30043 1 1117 . 1 1 123 123 HIS HB3 H 1 2.756 0.02 . 2 . . . . . 122 HIS HB3 . 30043 1 1118 . 1 1 123 123 HIS CA C 13 60.626 0.3 . 1 . . . . . 122 HIS CA . 30043 1 1119 . 1 1 123 123 HIS CB C 13 29.321 0.3 . 1 . . . . . 122 HIS CB . 30043 1 1120 . 1 1 123 123 HIS N N 15 117.853 0.3 . 1 . . . . . 122 HIS N . 30043 1 1121 . 1 1 124 124 GLN H H 1 8.145 0.02 . 1 . . . . . 123 GLN H . 30043 1 1122 . 1 1 124 124 GLN HA H 1 3.801 0.02 . 1 . . . . . 123 GLN HA . 30043 1 1123 . 1 1 124 124 GLN HB2 H 1 1.948 0.02 . 1 . . . . . 123 GLN HB2 . 30043 1 1124 . 1 1 124 124 GLN HB3 H 1 1.948 0.02 . 1 . . . . . 123 GLN HB3 . 30043 1 1125 . 1 1 124 124 GLN HG2 H 1 2.426 0.02 . 2 . . . . . 123 GLN HG2 . 30043 1 1126 . 1 1 124 124 GLN HG3 H 1 2.468 0.02 . 2 . . . . . 123 GLN HG3 . 30043 1 1127 . 1 1 124 124 GLN CA C 13 58.329 0.3 . 1 . . . . . 123 GLN CA . 30043 1 1128 . 1 1 124 124 GLN CB C 13 28.067 0.3 . 1 . . . . . 123 GLN CB . 30043 1 1129 . 1 1 124 124 GLN CG C 13 32.064 0.3 . 1 . . . . . 123 GLN CG . 30043 1 1130 . 1 1 124 124 GLN N N 15 122.773 0.3 . 1 . . . . . 123 GLN N . 30043 1 1131 . 1 1 125 125 SER H H 1 8.735 0.02 . 1 . . . . . 124 SER H . 30043 1 1132 . 1 1 125 125 SER HA H 1 4.23 0.02 . 1 . . . . . 124 SER HA . 30043 1 1133 . 1 1 125 125 SER HB2 H 1 3.943 0.02 . 1 . . . . . 124 SER HB2 . 30043 1 1134 . 1 1 125 125 SER HB3 H 1 3.943 0.02 . 1 . . . . . 124 SER HB3 . 30043 1 1135 . 1 1 125 125 SER CA C 13 61.586 0.3 . 1 . . . . . 124 SER CA . 30043 1 1136 . 1 1 125 125 SER CB C 13 64.385 0.3 . 1 . . . . . 124 SER CB . 30043 1 1137 . 1 1 125 125 SER N N 15 111.903 0.3 . 1 . . . . . 124 SER N . 30043 1 1138 . 1 1 126 126 LEU H H 1 8.688 0.02 . 1 . . . . . 125 LEU H . 30043 1 1139 . 1 1 126 126 LEU HA H 1 3.9 0.02 . 1 . . . . . 125 LEU HA . 30043 1 1140 . 1 1 126 126 LEU HB2 H 1 1.851 0.02 . 1 . . . . . 125 LEU HB2 . 30043 1 1141 . 1 1 126 126 LEU HB3 H 1 1.851 0.02 . 1 . . . . . 125 LEU HB3 . 30043 1 1142 . 1 1 126 126 LEU HG H 1 0.757 0.02 . 1 . . . . . 125 LEU HG . 30043 1 1143 . 1 1 126 126 LEU HD11 H 1 0.723 0.02 . 1 . . . . . 125 LEU HD11 . 30043 1 1144 . 1 1 126 126 LEU HD12 H 1 0.723 0.02 . 1 . . . . . 125 LEU HD12 . 30043 1 1145 . 1 1 126 126 LEU HD13 H 1 0.723 0.02 . 1 . . . . . 125 LEU HD13 . 30043 1 1146 . 1 1 126 126 LEU HD21 H 1 0.723 0.02 . 1 . . . . . 125 LEU HD21 . 30043 1 1147 . 1 1 126 126 LEU HD22 H 1 0.723 0.02 . 1 . . . . . 125 LEU HD22 . 30043 1 1148 . 1 1 126 126 LEU HD23 H 1 0.723 0.02 . 1 . . . . . 125 LEU HD23 . 30043 1 1149 . 1 1 126 126 LEU CA C 13 56.958 0.3 . 1 . . . . . 125 LEU CA . 30043 1 1150 . 1 1 126 126 LEU CB C 13 41.816 0.3 . 1 . . . . . 125 LEU CB . 30043 1 1151 . 1 1 126 126 LEU CG C 13 27.464 0.3 . 1 . . . . . 125 LEU CG . 30043 1 1152 . 1 1 126 126 LEU CD1 C 13 23.854 0.3 . 1 . . . . . 125 LEU CD1 . 30043 1 1153 . 1 1 126 126 LEU CD2 C 13 23.534 0.3 . 1 . . . . . 125 LEU CD2 . 30043 1 1154 . 1 1 126 126 LEU N N 15 118.712 0.3 . 1 . . . . . 125 LEU N . 30043 1 1155 . 1 1 127 127 SER H H 1 8.176 0.02 . 1 . . . . . 126 SER H . 30043 1 1156 . 1 1 127 127 SER HA H 1 3.799 0.02 . 1 . . . . . 126 SER HA . 30043 1 1157 . 1 1 127 127 SER HB2 H 1 1.842 0.02 . 1 . . . . . 126 SER HB2 . 30043 1 1158 . 1 1 127 127 SER HB3 H 1 1.842 0.02 . 1 . . . . . 126 SER HB3 . 30043 1 1159 . 1 1 127 127 SER CA C 13 62.086 0.3 . 1 . . . . . 126 SER CA . 30043 1 1160 . 1 1 127 127 SER N N 15 114.389 0.3 . 1 . . . . . 126 SER N . 30043 1 1161 . 1 1 128 128 HIS H H 1 6.942 0.02 . 1 . . . . . 127 HIS H . 30043 1 1162 . 1 1 128 128 HIS HA H 1 4.706 0.02 . 1 . . . . . 127 HIS HA . 30043 1 1163 . 1 1 128 128 HIS HB2 H 1 3.088 0.02 . 1 . . . . . 127 HIS HB2 . 30043 1 1164 . 1 1 128 128 HIS HB3 H 1 3.088 0.02 . 1 . . . . . 127 HIS HB3 . 30043 1 1165 . 1 1 128 128 HIS CA C 13 57.837 0.3 . 1 . . . . . 127 HIS CA . 30043 1 1166 . 1 1 128 128 HIS CB C 13 32.114 0.3 . 1 . . . . . 127 HIS CB . 30043 1 1167 . 1 1 128 128 HIS N N 15 120.408 0.3 . 1 . . . . . 127 HIS N . 30043 1 1168 . 1 1 129 129 LEU H H 1 7.708 0.02 . 1 . . . . . 128 LEU H . 30043 1 1169 . 1 1 129 129 LEU HA H 1 2.611 0.02 . 1 . . . . . 128 LEU HA . 30043 1 1170 . 1 1 129 129 LEU HB2 H 1 1.137 0.02 . 1 . . . . . 128 LEU HB2 . 30043 1 1171 . 1 1 129 129 LEU HB3 H 1 1.137 0.02 . 1 . . . . . 128 LEU HB3 . 30043 1 1172 . 1 1 129 129 LEU HG H 1 0.899 0.02 . 1 . . . . . 128 LEU HG . 30043 1 1173 . 1 1 129 129 LEU HD11 H 1 0.664 0.02 . 1 . . . . . 128 LEU HD11 . 30043 1 1174 . 1 1 129 129 LEU HD12 H 1 0.664 0.02 . 1 . . . . . 128 LEU HD12 . 30043 1 1175 . 1 1 129 129 LEU HD13 H 1 0.664 0.02 . 1 . . . . . 128 LEU HD13 . 30043 1 1176 . 1 1 129 129 LEU CA C 13 59.474 0.3 . 1 . . . . . 128 LEU CA . 30043 1 1177 . 1 1 129 129 LEU CB C 13 41.475 0.3 . 1 . . . . . 128 LEU CB . 30043 1 1178 . 1 1 129 129 LEU CG C 13 28.249 0.3 . 1 . . . . . 128 LEU CG . 30043 1 1179 . 1 1 129 129 LEU CD1 C 13 23.952 0.3 . 1 . . . . . 128 LEU CD1 . 30043 1 1180 . 1 1 129 129 LEU N N 15 127.559 0.3 . 1 . . . . . 128 LEU N . 30043 1 1181 . 1 1 130 130 LEU H H 1 8.301 0.02 . 1 . . . . . 129 LEU H . 30043 1 1182 . 1 1 130 130 LEU HA H 1 3.802 0.02 . 1 . . . . . 129 LEU HA . 30043 1 1183 . 1 1 130 130 LEU HB2 H 1 1.471 0.02 . 2 . . . . . 129 LEU HB2 . 30043 1 1184 . 1 1 130 130 LEU HB3 H 1 1.042 0.02 . 2 . . . . . 129 LEU HB3 . 30043 1 1185 . 1 1 130 130 LEU HG H 1 0.329 0.02 . 1 . . . . . 129 LEU HG . 30043 1 1186 . 1 1 130 130 LEU HD11 H 1 -0.194 0.02 . 1 . . . . . 129 LEU HD11 . 30043 1 1187 . 1 1 130 130 LEU HD12 H 1 -0.194 0.02 . 1 . . . . . 129 LEU HD12 . 30043 1 1188 . 1 1 130 130 LEU HD13 H 1 -0.194 0.02 . 1 . . . . . 129 LEU HD13 . 30043 1 1189 . 1 1 130 130 LEU CA C 13 56.591 0.3 . 1 . . . . . 129 LEU CA . 30043 1 1190 . 1 1 130 130 LEU CB C 13 40.901 0.3 . 1 . . . . . 129 LEU CB . 30043 1 1191 . 1 1 130 130 LEU CG C 13 25.41 0.3 . 1 . . . . . 129 LEU CG . 30043 1 1192 . 1 1 130 130 LEU CD1 C 13 21.392 0.3 . 1 . . . . . 129 LEU CD1 . 30043 1 1193 . 1 1 130 130 LEU N N 15 120.814 0.3 . 1 . . . . . 129 LEU N . 30043 1 1194 . 1 1 131 131 ALA H H 1 7.342 0.02 . 1 . . . . . 130 ALA H . 30043 1 1195 . 1 1 131 131 ALA HA H 1 3.944 0.02 . 1 . . . . . 130 ALA HA . 30043 1 1196 . 1 1 131 131 ALA HB1 H 1 1.423 0.02 . 1 . . . . . 130 ALA HB1 . 30043 1 1197 . 1 1 131 131 ALA HB2 H 1 1.423 0.02 . 1 . . . . . 130 ALA HB2 . 30043 1 1198 . 1 1 131 131 ALA HB3 H 1 1.423 0.02 . 1 . . . . . 130 ALA HB3 . 30043 1 1199 . 1 1 131 131 ALA CA C 13 54.564 0.3 . 1 . . . . . 130 ALA CA . 30043 1 1200 . 1 1 131 131 ALA CB C 13 18.256 0.3 . 1 . . . . . 130 ALA CB . 30043 1 1201 . 1 1 131 131 ALA N N 15 118.294 0.3 . 1 . . . . . 130 ALA N . 30043 1 1202 . 1 1 132 132 ALA H H 1 7.213 0.02 . 1 . . . . . 131 ALA H . 30043 1 1203 . 1 1 132 132 ALA HA H 1 4.228 0.02 . 1 . . . . . 131 ALA HA . 30043 1 1204 . 1 1 132 132 ALA HB1 H 1 1.423 0.02 . 1 . . . . . 131 ALA HB1 . 30043 1 1205 . 1 1 132 132 ALA HB2 H 1 1.423 0.02 . 1 . . . . . 131 ALA HB2 . 30043 1 1206 . 1 1 132 132 ALA HB3 H 1 1.423 0.02 . 1 . . . . . 131 ALA HB3 . 30043 1 1207 . 1 1 132 132 ALA CA C 13 53.617 0.3 . 1 . . . . . 131 ALA CA . 30043 1 1208 . 1 1 132 132 ALA CB C 13 19.841 0.3 . 1 . . . . . 131 ALA CB . 30043 1 1209 . 1 1 132 132 ALA N N 15 116.399 0.3 . 1 . . . . . 131 ALA N . 30043 1 1210 . 1 1 133 133 MET H H 1 9.415 0.02 . 1 . . . . . 132 MET H . 30043 1 1211 . 1 1 133 133 MET HA H 1 4.513 0.02 . 1 . . . . . 132 MET HA . 30043 1 1212 . 1 1 133 133 MET HB2 H 1 1.945 0.02 . 1 . . . . . 132 MET HB2 . 30043 1 1213 . 1 1 133 133 MET HB3 H 1 1.945 0.02 . 1 . . . . . 132 MET HB3 . 30043 1 1214 . 1 1 133 133 MET CA C 13 55.968 0.3 . 1 . . . . . 132 MET CA . 30043 1 1215 . 1 1 133 133 MET CB C 13 30.626 0.3 . 1 . . . . . 132 MET CB . 30043 1 1216 . 1 1 133 133 MET N N 15 119.685 0.3 . 1 . . . . . 132 MET N . 30043 1 1217 . 1 1 134 134 ASP H H 1 8.501 0.02 . 1 . . . . . 133 ASP H . 30043 1 1218 . 1 1 134 134 ASP HA H 1 4.543 0.02 . 1 . . . . . 133 ASP HA . 30043 1 1219 . 1 1 134 134 ASP HB2 H 1 2.706 0.02 . 2 . . . . . 133 ASP HB2 . 30043 1 1220 . 1 1 134 134 ASP HB3 H 1 2.8 0.02 . 2 . . . . . 133 ASP HB3 . 30043 1 1221 . 1 1 134 134 ASP CA C 13 56.182 0.3 . 1 . . . . . 133 ASP CA . 30043 1 1222 . 1 1 134 134 ASP CB C 13 40.173 0.3 . 1 . . . . . 133 ASP CB . 30043 1 1223 . 1 1 134 134 ASP N N 15 121.429 0.3 . 1 . . . . . 133 ASP N . 30043 1 1224 . 1 1 135 135 THR H H 1 7.589 0.02 . 1 . . . . . 134 THR H . 30043 1 1225 . 1 1 135 135 THR HA H 1 4.531 0.02 . 1 . . . . . 134 THR HA . 30043 1 1226 . 1 1 135 135 THR HB H 1 4.483 0.02 . 1 . . . . . 134 THR HB . 30043 1 1227 . 1 1 135 135 THR HG21 H 1 1.278 0.02 . 1 . . . . . 134 THR HG21 . 30043 1 1228 . 1 1 135 135 THR HG22 H 1 1.278 0.02 . 1 . . . . . 134 THR HG22 . 30043 1 1229 . 1 1 135 135 THR HG23 H 1 1.278 0.02 . 1 . . . . . 134 THR HG23 . 30043 1 1230 . 1 1 135 135 THR CA C 13 62.061 0.3 . 1 . . . . . 134 THR CA . 30043 1 1231 . 1 1 135 135 THR CB C 13 69.234 0.3 . 1 . . . . . 134 THR CB . 30043 1 1232 . 1 1 135 135 THR CG2 C 13 20.922 0.3 . 1 . . . . . 134 THR CG2 . 30043 1 1233 . 1 1 135 135 THR N N 15 109.298 0.3 . 1 . . . . . 134 THR N . 30043 1 1234 . 1 1 136 136 THR H H 1 7.807 0.02 . 1 . . . . . 135 THR H . 30043 1 1235 . 1 1 136 136 THR HA H 1 5.134 0.02 . 1 . . . . . 135 THR HA . 30043 1 1236 . 1 1 136 136 THR HB H 1 4.134 0.02 . 1 . . . . . 135 THR HB . 30043 1 1237 . 1 1 136 136 THR HG21 H 1 1.137 0.02 . 1 . . . . . 135 THR HG21 . 30043 1 1238 . 1 1 136 136 THR HG22 H 1 1.137 0.02 . 1 . . . . . 135 THR HG22 . 30043 1 1239 . 1 1 136 136 THR HG23 H 1 1.137 0.02 . 1 . . . . . 135 THR HG23 . 30043 1 1240 . 1 1 136 136 THR CA C 13 59.848 0.3 . 1 . . . . . 135 THR CA . 30043 1 1241 . 1 1 136 136 THR CB C 13 72.141 0.3 . 1 . . . . . 135 THR CB . 30043 1 1242 . 1 1 136 136 THR CG2 C 13 21.839 0.3 . 1 . . . . . 135 THR CG2 . 30043 1 1243 . 1 1 136 136 THR N N 15 115.857 0.3 . 1 . . . . . 135 THR N . 30043 1 1244 . 1 1 137 137 GLU H H 1 8.647 0.02 . 1 . . . . . 136 GLU H . 30043 1 1245 . 1 1 137 137 GLU HA H 1 4.374 0.02 . 1 . . . . . 136 GLU HA . 30043 1 1246 . 1 1 137 137 GLU HB2 H 1 2.281 0.02 . 1 . . . . . 136 GLU HB2 . 30043 1 1247 . 1 1 137 137 GLU HB3 H 1 2.281 0.02 . 1 . . . . . 136 GLU HB3 . 30043 1 1248 . 1 1 137 137 GLU HG2 H 1 2.185 0.02 . 2 . . . . . 136 GLU HG2 . 30043 1 1249 . 1 1 137 137 GLU HG3 H 1 1.994 0.02 . 2 . . . . . 136 GLU HG3 . 30043 1 1250 . 1 1 137 137 GLU CA C 13 52.961 0.3 . 1 . . . . . 136 GLU CA . 30043 1 1251 . 1 1 137 137 GLU CB C 13 29.204 0.3 . 1 . . . . . 136 GLU CB . 30043 1 1252 . 1 1 137 137 GLU CG C 13 34.663 0.3 . 1 . . . . . 136 GLU CG . 30043 1 1253 . 1 1 137 137 GLU N N 15 116.421 0.3 . 1 . . . . . 136 GLU N . 30043 1 1254 . 1 1 138 138 ALA H H 1 7.108 0.02 . 1 . . . . . 137 ALA H . 30043 1 1255 . 1 1 138 138 ALA HA H 1 4.04 0.02 . 1 . . . . . 137 ALA HA . 30043 1 1256 . 1 1 138 138 ALA HB1 H 1 0.946 0.02 . 1 . . . . . 137 ALA HB1 . 30043 1 1257 . 1 1 138 138 ALA HB2 H 1 0.946 0.02 . 1 . . . . . 137 ALA HB2 . 30043 1 1258 . 1 1 138 138 ALA HB3 H 1 0.946 0.02 . 1 . . . . . 137 ALA HB3 . 30043 1 1259 . 1 1 138 138 ALA CA C 13 51.811 0.3 . 1 . . . . . 137 ALA CA . 30043 1 1260 . 1 1 138 138 ALA CB C 13 19.013 0.3 . 1 . . . . . 137 ALA CB . 30043 1 1261 . 1 1 138 138 ALA N N 15 123.121 0.3 . 1 . . . . . 137 ALA N . 30043 1 1262 . 1 1 139 139 ARG H H 1 7.944 0.02 . 1 . . . . . 138 ARG H . 30043 1 1263 . 1 1 139 139 ARG HA H 1 4.423 0.02 . 1 . . . . . 138 ARG HA . 30043 1 1264 . 1 1 139 139 ARG HB2 H 1 1.511 0.02 . 1 . . . . . 138 ARG HB2 . 30043 1 1265 . 1 1 139 139 ARG HB3 H 1 1.511 0.02 . 1 . . . . . 138 ARG HB3 . 30043 1 1266 . 1 1 139 139 ARG HG2 H 1 1.3 0.02 . 2 . . . . . 138 ARG HG2 . 30043 1 1267 . 1 1 139 139 ARG HG3 H 1 1.184 0.02 . 2 . . . . . 138 ARG HG3 . 30043 1 1268 . 1 1 139 139 ARG HD2 H 1 2.864 0.02 . 1 . . . . . 138 ARG HD2 . 30043 1 1269 . 1 1 139 139 ARG HD3 H 1 2.864 0.02 . 1 . . . . . 138 ARG HD3 . 30043 1 1270 . 1 1 139 139 ARG CA C 13 56.111 0.3 . 1 . . . . . 138 ARG CA . 30043 1 1271 . 1 1 139 139 ARG CB C 13 28.507 0.3 . 1 . . . . . 138 ARG CB . 30043 1 1272 . 1 1 139 139 ARG CG C 13 24.942 0.3 . 1 . . . . . 138 ARG CG . 30043 1 1273 . 1 1 139 139 ARG CD C 13 41.962 0.3 . 1 . . . . . 138 ARG CD . 30043 1 1274 . 1 1 139 139 ARG N N 15 118.546 0.3 . 1 . . . . . 138 ARG N . 30043 1 1275 . 1 1 140 140 VAL H H 1 8.654 0.02 . 1 . . . . . 139 VAL H . 30043 1 1276 . 1 1 140 140 VAL HA H 1 4.373 0.02 . 1 . . . . . 139 VAL HA . 30043 1 1277 . 1 1 140 140 VAL HB H 1 1.851 0.02 . 1 . . . . . 139 VAL HB . 30043 1 1278 . 1 1 140 140 VAL HG11 H 1 0.47 0.02 . 1 . . . . . 139 VAL HG11 . 30043 1 1279 . 1 1 140 140 VAL HG12 H 1 0.47 0.02 . 1 . . . . . 139 VAL HG12 . 30043 1 1280 . 1 1 140 140 VAL HG13 H 1 0.47 0.02 . 1 . . . . . 139 VAL HG13 . 30043 1 1281 . 1 1 140 140 VAL HG21 H 1 0.423 0.02 . 1 . . . . . 139 VAL HG21 . 30043 1 1282 . 1 1 140 140 VAL HG22 H 1 0.423 0.02 . 1 . . . . . 139 VAL HG22 . 30043 1 1283 . 1 1 140 140 VAL HG23 H 1 0.423 0.02 . 1 . . . . . 139 VAL HG23 . 30043 1 1284 . 1 1 140 140 VAL CA C 13 61.096 0.3 . 1 . . . . . 139 VAL CA . 30043 1 1285 . 1 1 140 140 VAL CB C 13 32.93 0.3 . 1 . . . . . 139 VAL CB . 30043 1 1286 . 1 1 140 140 VAL CG1 C 13 20.376 0.3 . 1 . . . . . 139 VAL CG1 . 30043 1 1287 . 1 1 140 140 VAL CG2 C 13 21.56 0.3 . 1 . . . . . 139 VAL CG2 . 30043 1 1288 . 1 1 140 140 VAL N N 15 129.511 0.3 . 1 . . . . . 139 VAL N . 30043 1 1289 . 1 1 141 141 THR H H 1 9.428 0.02 . 1 . . . . . 140 THR H . 30043 1 1290 . 1 1 141 141 THR HA H 1 4.801 0.02 . 1 . . . . . 140 THR HA . 30043 1 1291 . 1 1 141 141 THR HB H 1 4.038 0.02 . 1 . . . . . 140 THR HB . 30043 1 1292 . 1 1 141 141 THR HG21 H 1 0.66 0.02 . 1 . . . . . 140 THR HG21 . 30043 1 1293 . 1 1 141 141 THR HG22 H 1 0.66 0.02 . 1 . . . . . 140 THR HG22 . 30043 1 1294 . 1 1 141 141 THR HG23 H 1 0.66 0.02 . 1 . . . . . 140 THR HG23 . 30043 1 1295 . 1 1 141 141 THR CA C 13 59.883 0.3 . 1 . . . . . 140 THR CA . 30043 1 1296 . 1 1 141 141 THR CB C 13 69.354 0.3 . 1 . . . . . 140 THR CB . 30043 1 1297 . 1 1 141 141 THR CG2 C 13 24.176 0.3 . 1 . . . . . 140 THR CG2 . 30043 1 1298 . 1 1 141 141 THR N N 15 127.009 0.3 . 1 . . . . . 140 THR N . 30043 1 1299 . 1 1 142 142 ILE H H 1 9.214 0.02 . 1 . . . . . 141 ILE H . 30043 1 1300 . 1 1 142 142 ILE HA H 1 5.086 0.02 . 1 . . . . . 141 ILE HA . 30043 1 1301 . 1 1 142 142 ILE HB H 1 1.706 0.02 . 1 . . . . . 141 ILE HB . 30043 1 1302 . 1 1 142 142 ILE HG12 H 1 1.803 0.02 . 1 . . . . . 141 ILE HG12 . 30043 1 1303 . 1 1 142 142 ILE HG13 H 1 1.803 0.02 . 1 . . . . . 141 ILE HG13 . 30043 1 1304 . 1 1 142 142 ILE HG21 H 1 0.851 0.02 . 1 . . . . . 141 ILE HG21 . 30043 1 1305 . 1 1 142 142 ILE HG22 H 1 0.851 0.02 . 1 . . . . . 141 ILE HG22 . 30043 1 1306 . 1 1 142 142 ILE HG23 H 1 0.851 0.02 . 1 . . . . . 141 ILE HG23 . 30043 1 1307 . 1 1 142 142 ILE HD11 H 1 0.662 0.02 . 1 . . . . . 141 ILE HD11 . 30043 1 1308 . 1 1 142 142 ILE HD12 H 1 0.662 0.02 . 1 . . . . . 141 ILE HD12 . 30043 1 1309 . 1 1 142 142 ILE HD13 H 1 0.662 0.02 . 1 . . . . . 141 ILE HD13 . 30043 1 1310 . 1 1 142 142 ILE CA C 13 60.156 0.3 . 1 . . . . . 141 ILE CA . 30043 1 1311 . 1 1 142 142 ILE CB C 13 39.142 0.3 . 1 . . . . . 141 ILE CB . 30043 1 1312 . 1 1 142 142 ILE CG1 C 13 28.087 0.3 . 1 . . . . . 141 ILE CG1 . 30043 1 1313 . 1 1 142 142 ILE CG2 C 13 17.143 0.3 . 1 . . . . . 141 ILE CG2 . 30043 1 1314 . 1 1 142 142 ILE CD1 C 13 14.593 0.3 . 1 . . . . . 141 ILE CD1 . 30043 1 1315 . 1 1 142 142 ILE N N 15 130.332 0.3 . 1 . . . . . 141 ILE N . 30043 1 1316 . 1 1 143 143 TYR H H 1 8.648 0.02 . 1 . . . . . 142 TYR H . 30043 1 1317 . 1 1 143 143 TYR HA H 1 4.42 0.02 . 1 . . . . . 142 TYR HA . 30043 1 1318 . 1 1 143 143 TYR HB2 H 1 2.567 0.02 . 2 . . . . . 142 TYR HB2 . 30043 1 1319 . 1 1 143 143 TYR HB3 H 1 2.526 0.02 . 2 . . . . . 142 TYR HB3 . 30043 1 1320 . 1 1 143 143 TYR CA C 13 56.096 0.3 . 1 . . . . . 142 TYR CA . 30043 1 1321 . 1 1 143 143 TYR CB C 13 38.951 0.3 . 1 . . . . . 142 TYR CB . 30043 1 1322 . 1 1 143 143 TYR N N 15 129.223 0.3 . 1 . . . . . 142 TYR N . 30043 1 1323 . 1 1 146 146 ASP HA H 1 5.467 0.02 . 1 . . . . . 145 ASP HA . 30043 1 1324 . 1 1 146 146 ASP HB2 H 1 2.755 0.02 . 2 . . . . . 145 ASP HB2 . 30043 1 1325 . 1 1 146 146 ASP HB3 H 1 2.564 0.02 . 2 . . . . . 145 ASP HB3 . 30043 1 1326 . 1 1 146 146 ASP CA C 13 56.903 0.3 . 1 . . . . . 145 ASP CA . 30043 1 1327 . 1 1 146 146 ASP CB C 13 40.753 0.3 . 1 . . . . . 145 ASP CB . 30043 1 1328 . 1 1 147 147 LYS H H 1 8.793 0.02 . 1 . . . . . 146 LYS H . 30043 1 1329 . 1 1 147 147 LYS HA H 1 5.128 0.02 . 1 . . . . . 146 LYS HA . 30043 1 1330 . 1 1 147 147 LYS HB2 H 1 1.414 0.02 . 1 . . . . . 146 LYS HB2 . 30043 1 1331 . 1 1 147 147 LYS HB3 H 1 1.414 0.02 . 1 . . . . . 146 LYS HB3 . 30043 1 1332 . 1 1 147 147 LYS HG2 H 1 1.281 0.02 . 1 . . . . . 146 LYS HG2 . 30043 1 1333 . 1 1 147 147 LYS HG3 H 1 1.281 0.02 . 1 . . . . . 146 LYS HG3 . 30043 1 1334 . 1 1 147 147 LYS HD2 H 1 1.473 0.02 . 1 . . . . . 146 LYS HD2 . 30043 1 1335 . 1 1 147 147 LYS HD3 H 1 1.473 0.02 . 1 . . . . . 146 LYS HD3 . 30043 1 1336 . 1 1 147 147 LYS HE2 H 1 2.993 0.02 . 1 . . . . . 146 LYS HE2 . 30043 1 1337 . 1 1 147 147 LYS HE3 H 1 2.993 0.02 . 1 . . . . . 146 LYS HE3 . 30043 1 1338 . 1 1 147 147 LYS CA C 13 55.435 0.3 . 1 . . . . . 146 LYS CA . 30043 1 1339 . 1 1 147 147 LYS CB C 13 31.161 0.3 . 1 . . . . . 146 LYS CB . 30043 1 1340 . 1 1 147 147 LYS CG C 13 26.48 0.3 . 1 . . . . . 146 LYS CG . 30043 1 1341 . 1 1 147 147 LYS CD C 13 26.729 0.3 . 1 . . . . . 146 LYS CD . 30043 1 1342 . 1 1 147 147 LYS CE C 13 42.848 0.3 . 1 . . . . . 146 LYS CE . 30043 1 1343 . 1 1 147 147 LYS N N 15 116.089 0.3 . 1 . . . . . 146 LYS N . 30043 1 1344 . 1 1 148 148 THR HA H 1 4.181 0.02 . 1 . . . . . 147 THR HA . 30043 1 1345 . 1 1 148 148 THR HB H 1 4.359 0.02 . 1 . . . . . 147 THR HB . 30043 1 1346 . 1 1 148 148 THR HG21 H 1 1.279 0.02 . 1 . . . . . 147 THR HG21 . 30043 1 1347 . 1 1 148 148 THR HG22 H 1 1.279 0.02 . 1 . . . . . 147 THR HG22 . 30043 1 1348 . 1 1 148 148 THR HG23 H 1 1.279 0.02 . 1 . . . . . 147 THR HG23 . 30043 1 1349 . 1 1 148 148 THR CA C 13 65.346 0.3 . 1 . . . . . 147 THR CA . 30043 1 1350 . 1 1 148 148 THR CB C 13 68.057 0.3 . 1 . . . . . 147 THR CB . 30043 1 1351 . 1 1 148 148 THR CG2 C 13 22.049 0.3 . 1 . . . . . 147 THR CG2 . 30043 1 1352 . 1 1 149 149 TRP H H 1 8.266 0.02 . 1 . . . . . 148 TRP H . 30043 1 1353 . 1 1 149 149 TRP HB2 H 1 3.373 0.02 . 2 . . . . . 148 TRP HB2 . 30043 1 1354 . 1 1 149 149 TRP HB3 H 1 3.137 0.02 . 2 . . . . . 148 TRP HB3 . 30043 1 1355 . 1 1 149 149 TRP HE1 H 1 10.124 0.02 . 1 . . . . . 148 TRP HE1 . 30043 1 1356 . 1 1 149 149 TRP CA C 13 59.349 0.3 . 1 . . . . . 148 TRP CA . 30043 1 1357 . 1 1 149 149 TRP CB C 13 28.461 0.3 . 1 . . . . . 148 TRP CB . 30043 1 1358 . 1 1 149 149 TRP N N 15 124.42 0.3 . 1 . . . . . 148 TRP N . 30043 1 1359 . 1 1 150 150 GLU H H 1 8.108 0.02 . 1 . . . . . 149 GLU H . 30043 1 1360 . 1 1 150 150 GLU HA H 1 3.707 0.02 . 1 . . . . . 149 GLU HA . 30043 1 1361 . 1 1 150 150 GLU HB2 H 1 2.374 0.02 . 1 . . . . . 149 GLU HB2 . 30043 1 1362 . 1 1 150 150 GLU HB3 H 1 2.374 0.02 . 1 . . . . . 149 GLU HB3 . 30043 1 1363 . 1 1 150 150 GLU HG2 H 1 1.944 0.02 . 1 . . . . . 149 GLU HG2 . 30043 1 1364 . 1 1 150 150 GLU HG3 H 1 1.944 0.02 . 1 . . . . . 149 GLU HG3 . 30043 1 1365 . 1 1 150 150 GLU CA C 13 59.914 0.3 . 1 . . . . . 149 GLU CA . 30043 1 1366 . 1 1 150 150 GLU CB C 13 29.948 0.3 . 1 . . . . . 149 GLU CB . 30043 1 1367 . 1 1 150 150 GLU CG C 13 35.073 0.3 . 1 . . . . . 149 GLU CG . 30043 1 1368 . 1 1 150 150 GLU N N 15 120.755 0.3 . 1 . . . . . 149 GLU N . 30043 1 1369 . 1 1 151 151 GLN H H 1 7.651 0.02 . 1 . . . . . 150 GLN H . 30043 1 1370 . 1 1 151 151 GLN HA H 1 3.948 0.02 . 1 . . . . . 150 GLN HA . 30043 1 1371 . 1 1 151 151 GLN HB2 H 1 2.135 0.02 . 1 . . . . . 150 GLN HB2 . 30043 1 1372 . 1 1 151 151 GLN HB3 H 1 2.135 0.02 . 1 . . . . . 150 GLN HB3 . 30043 1 1373 . 1 1 151 151 GLN HG2 H 1 2.421 0.02 . 1 . . . . . 150 GLN HG2 . 30043 1 1374 . 1 1 151 151 GLN HG3 H 1 2.421 0.02 . 1 . . . . . 150 GLN HG3 . 30043 1 1375 . 1 1 151 151 GLN CA C 13 58.457 0.3 . 1 . . . . . 150 GLN CA . 30043 1 1376 . 1 1 151 151 GLN CB C 13 28.053 0.3 . 1 . . . . . 150 GLN CB . 30043 1 1377 . 1 1 151 151 GLN CG C 13 33.335 0.3 . 1 . . . . . 150 GLN CG . 30043 1 1378 . 1 1 151 151 GLN N N 15 116.687 0.3 . 1 . . . . . 150 GLN N . 30043 1 1379 . 1 1 152 152 LYS H H 1 7.868 0.02 . 1 . . . . . 151 LYS H . 30043 1 1380 . 1 1 152 152 LYS HA H 1 3.992 0.02 . 1 . . . . . 151 LYS HA . 30043 1 1381 . 1 1 152 152 LYS HB2 H 1 1.848 0.02 . 2 . . . . . 151 LYS HB2 . 30043 1 1382 . 1 1 152 152 LYS HB3 H 1 1.612 0.02 . 2 . . . . . 151 LYS HB3 . 30043 1 1383 . 1 1 152 152 LYS HG2 H 1 1.422 0.02 . 2 . . . . . 151 LYS HG2 . 30043 1 1384 . 1 1 152 152 LYS HG3 H 1 1.375 0.02 . 2 . . . . . 151 LYS HG3 . 30043 1 1385 . 1 1 152 152 LYS HD2 H 1 1.594 0.02 . 2 . . . . . 151 LYS HD2 . 30043 1 1386 . 1 1 152 152 LYS HD3 H 1 1.347 0.02 . 2 . . . . . 151 LYS HD3 . 30043 1 1387 . 1 1 152 152 LYS HE2 H 1 2.866 0.02 . 2 . . . . . 151 LYS HE2 . 30043 1 1388 . 1 1 152 152 LYS HE3 H 1 2.751 0.02 . 2 . . . . . 151 LYS HE3 . 30043 1 1389 . 1 1 152 152 LYS CA C 13 59.599 0.3 . 1 . . . . . 151 LYS CA . 30043 1 1390 . 1 1 152 152 LYS CB C 13 32.707 0.3 . 1 . . . . . 151 LYS CB . 30043 1 1391 . 1 1 152 152 LYS CG C 13 25.214 0.3 . 1 . . . . . 151 LYS CG . 30043 1 1392 . 1 1 152 152 LYS CD C 13 29.286 0.3 . 1 . . . . . 151 LYS CD . 30043 1 1393 . 1 1 152 152 LYS CE C 13 41.734 0.3 . 1 . . . . . 151 LYS CE . 30043 1 1394 . 1 1 152 152 LYS N N 15 121.385 0.3 . 1 . . . . . 151 LYS N . 30043 1 1395 . 1 1 153 153 ILE H H 1 8.68 0.02 . 1 . . . . . 152 ILE H . 30043 1 1396 . 1 1 153 153 ILE HA H 1 3.362 0.02 . 1 . . . . . 152 ILE HA . 30043 1 1397 . 1 1 153 153 ILE HB H 1 1.737 0.02 . 1 . . . . . 152 ILE HB . 30043 1 1398 . 1 1 153 153 ILE HG12 H 1 1.788 0.02 . 2 . . . . . 152 ILE HG12 . 30043 1 1399 . 1 1 153 153 ILE HG13 H 1 0.757 0.02 . 2 . . . . . 152 ILE HG13 . 30043 1 1400 . 1 1 153 153 ILE HG21 H 1 0.733 0.02 . 1 . . . . . 152 ILE HG21 . 30043 1 1401 . 1 1 153 153 ILE HG22 H 1 0.733 0.02 . 1 . . . . . 152 ILE HG22 . 30043 1 1402 . 1 1 153 153 ILE HG23 H 1 0.733 0.02 . 1 . . . . . 152 ILE HG23 . 30043 1 1403 . 1 1 153 153 ILE HD11 H 1 0.851 0.02 . 1 . . . . . 152 ILE HD11 . 30043 1 1404 . 1 1 153 153 ILE HD12 H 1 0.851 0.02 . 1 . . . . . 152 ILE HD12 . 30043 1 1405 . 1 1 153 153 ILE HD13 H 1 0.851 0.02 . 1 . . . . . 152 ILE HD13 . 30043 1 1406 . 1 1 153 153 ILE CA C 13 64.814 0.3 . 1 . . . . . 152 ILE CA . 30043 1 1407 . 1 1 153 153 ILE CB C 13 38.569 0.3 . 1 . . . . . 152 ILE CB . 30043 1 1408 . 1 1 153 153 ILE CG1 C 13 27.377 0.3 . 1 . . . . . 152 ILE CG1 . 30043 1 1409 . 1 1 153 153 ILE CG2 C 13 18.218 0.3 . 1 . . . . . 152 ILE CG2 . 30043 1 1410 . 1 1 153 153 ILE CD1 C 13 14.255 0.3 . 1 . . . . . 152 ILE CD1 . 30043 1 1411 . 1 1 153 153 ILE N N 15 119.528 0.3 . 1 . . . . . 152 ILE N . 30043 1 1412 . 1 1 154 154 LYS H H 1 8.386 0.02 . 1 . . . . . 153 LYS H . 30043 1 1413 . 1 1 154 154 LYS HA H 1 3.659 0.02 . 1 . . . . . 153 LYS HA . 30043 1 1414 . 1 1 154 154 LYS HB2 H 1 1.802 0.02 . 1 . . . . . 153 LYS HB2 . 30043 1 1415 . 1 1 154 154 LYS HB3 H 1 1.802 0.02 . 1 . . . . . 153 LYS HB3 . 30043 1 1416 . 1 1 154 154 LYS HG2 H 1 1.611 0.02 . 2 . . . . . 153 LYS HG2 . 30043 1 1417 . 1 1 154 154 LYS HG3 H 1 1.28 0.02 . 2 . . . . . 153 LYS HG3 . 30043 1 1418 . 1 1 154 154 LYS HD2 H 1 1.537 0.02 . 1 . . . . . 153 LYS HD2 . 30043 1 1419 . 1 1 154 154 LYS HD3 H 1 1.537 0.02 . 1 . . . . . 153 LYS HD3 . 30043 1 1420 . 1 1 154 154 LYS HE2 H 1 2.778 0.02 . 1 . . . . . 153 LYS HE2 . 30043 1 1421 . 1 1 154 154 LYS HE3 H 1 2.778 0.02 . 1 . . . . . 153 LYS HE3 . 30043 1 1422 . 1 1 154 154 LYS CA C 13 60.56 0.3 . 1 . . . . . 153 LYS CA . 30043 1 1423 . 1 1 154 154 LYS CB C 13 32.072 0.3 . 1 . . . . . 153 LYS CB . 30043 1 1424 . 1 1 154 154 LYS CG C 13 26.055 0.3 . 1 . . . . . 153 LYS CG . 30043 1 1425 . 1 1 154 154 LYS CD C 13 29.28 0.3 . 1 . . . . . 153 LYS CD . 30043 1 1426 . 1 1 154 154 LYS CE C 13 41.726 0.3 . 1 . . . . . 153 LYS CE . 30043 1 1427 . 1 1 154 154 LYS N N 15 119.1 0.3 . 1 . . . . . 153 LYS N . 30043 1 1428 . 1 1 155 155 THR H H 1 7.955 0.02 . 1 . . . . . 154 THR H . 30043 1 1429 . 1 1 155 155 THR HA H 1 4.181 0.02 . 1 . . . . . 154 THR HA . 30043 1 1430 . 1 1 155 155 THR HB H 1 3.801 0.02 . 1 . . . . . 154 THR HB . 30043 1 1431 . 1 1 155 155 THR HG21 H 1 1.136 0.02 . 1 . . . . . 154 THR HG21 . 30043 1 1432 . 1 1 155 155 THR HG22 H 1 1.136 0.02 . 1 . . . . . 154 THR HG22 . 30043 1 1433 . 1 1 155 155 THR HG23 H 1 1.136 0.02 . 1 . . . . . 154 THR HG23 . 30043 1 1434 . 1 1 155 155 THR CA C 13 68.623 0.3 . 1 . . . . . 154 THR CA . 30043 1 1435 . 1 1 155 155 THR CB C 13 66.935 0.3 . 1 . . . . . 154 THR CB . 30043 1 1436 . 1 1 155 155 THR CG2 C 13 21.178 0.3 . 1 . . . . . 154 THR CG2 . 30043 1 1437 . 1 1 155 155 THR N N 15 115.942 0.3 . 1 . . . . . 154 THR N . 30043 1 1438 . 1 1 156 156 VAL H H 1 7.316 0.02 . 1 . . . . . 155 VAL H . 30043 1 1439 . 1 1 156 156 VAL HA H 1 3.56 0.02 . 1 . . . . . 155 VAL HA . 30043 1 1440 . 1 1 156 156 VAL HB H 1 1.992 0.02 . 1 . . . . . 155 VAL HB . 30043 1 1441 . 1 1 156 156 VAL HG11 H 1 0.944 0.02 . 1 . . . . . 155 VAL HG11 . 30043 1 1442 . 1 1 156 156 VAL HG12 H 1 0.944 0.02 . 1 . . . . . 155 VAL HG12 . 30043 1 1443 . 1 1 156 156 VAL HG13 H 1 0.944 0.02 . 1 . . . . . 155 VAL HG13 . 30043 1 1444 . 1 1 156 156 VAL HG21 H 1 0.614 0.02 . 1 . . . . . 155 VAL HG21 . 30043 1 1445 . 1 1 156 156 VAL HG22 H 1 0.614 0.02 . 1 . . . . . 155 VAL HG22 . 30043 1 1446 . 1 1 156 156 VAL HG23 H 1 0.614 0.02 . 1 . . . . . 155 VAL HG23 . 30043 1 1447 . 1 1 156 156 VAL CA C 13 66.251 0.3 . 1 . . . . . 155 VAL CA . 30043 1 1448 . 1 1 156 156 VAL CB C 13 31.207 0.3 . 1 . . . . . 155 VAL CB . 30043 1 1449 . 1 1 156 156 VAL CG1 C 13 22.398 0.3 . 1 . . . . . 155 VAL CG1 . 30043 1 1450 . 1 1 156 156 VAL CG2 C 13 20.751 0.3 . 1 . . . . . 155 VAL CG2 . 30043 1 1451 . 1 1 156 156 VAL N N 15 122.675 0.3 . 1 . . . . . 155 VAL N . 30043 1 1452 . 1 1 157 157 LEU H H 1 8.124 0.02 . 1 . . . . . 156 LEU H . 30043 1 1453 . 1 1 157 157 LEU HA H 1 3.66 0.02 . 1 . . . . . 156 LEU HA . 30043 1 1454 . 1 1 157 157 LEU HB2 H 1 1.804 0.02 . 1 . . . . . 156 LEU HB2 . 30043 1 1455 . 1 1 157 157 LEU HB3 H 1 1.357 0.02 . 1 . . . . . 156 LEU HB3 . 30043 1 1456 . 1 1 157 157 LEU HG H 1 0.569 0.02 . 1 . . . . . 156 LEU HG . 30043 1 1457 . 1 1 157 157 LEU HD11 H 1 0.329 0.02 . 1 . . . . . 156 LEU HD11 . 30043 1 1458 . 1 1 157 157 LEU HD12 H 1 0.329 0.02 . 1 . . . . . 156 LEU HD12 . 30043 1 1459 . 1 1 157 157 LEU HD13 H 1 0.329 0.02 . 1 . . . . . 156 LEU HD13 . 30043 1 1460 . 1 1 157 157 LEU CA C 13 57.587 0.3 . 1 . . . . . 156 LEU CA . 30043 1 1461 . 1 1 157 157 LEU CB C 13 40.767 0.3 . 1 . . . . . 156 LEU CB . 30043 1 1462 . 1 1 157 157 LEU CG C 13 25.607 0.3 . 1 . . . . . 156 LEU CG . 30043 1 1463 . 1 1 157 157 LEU CD1 C 13 22.14 0.3 . 1 . . . . . 156 LEU CD1 . 30043 1 1464 . 1 1 157 157 LEU N N 15 117.918 0.3 . 1 . . . . . 156 LEU N . 30043 1 1465 . 1 1 158 158 GLN H H 1 8.149 0.02 . 1 . . . . . 157 GLN H . 30043 1 1466 . 1 1 158 158 GLN HA H 1 4.039 0.02 . 1 . . . . . 157 GLN HA . 30043 1 1467 . 1 1 158 158 GLN HB2 H 1 2.087 0.02 . 2 . . . . . 157 GLN HB2 . 30043 1 1468 . 1 1 158 158 GLN HB3 H 1 2.051 0.02 . 2 . . . . . 157 GLN HB3 . 30043 1 1469 . 1 1 158 158 GLN HG2 H 1 2.421 0.02 . 2 . . . . . 157 GLN HG2 . 30043 1 1470 . 1 1 158 158 GLN HG3 H 1 2.377 0.02 . 2 . . . . . 157 GLN HG3 . 30043 1 1471 . 1 1 158 158 GLN CA C 13 57.552 0.3 . 1 . . . . . 157 GLN CA . 30043 1 1472 . 1 1 158 158 GLN CB C 13 28.415 0.3 . 1 . . . . . 157 GLN CB . 30043 1 1473 . 1 1 158 158 GLN CG C 13 33.869 0.3 . 1 . . . . . 157 GLN CG . 30043 1 1474 . 1 1 158 158 GLN N N 15 117.808 0.3 . 1 . . . . . 157 GLN N . 30043 1 1475 . 1 1 159 159 ASN H H 1 7.613 0.02 . 1 . . . . . 158 ASN H . 30043 1 1476 . 1 1 159 159 ASN HA H 1 4.658 0.02 . 1 . . . . . 158 ASN HA . 30043 1 1477 . 1 1 159 159 ASN HB2 H 1 2.748 0.02 . 2 . . . . . 158 ASN HB2 . 30043 1 1478 . 1 1 159 159 ASN HB3 H 1 2.666 0.02 . 1 . . . . . 158 ASN HB3 . 30043 1 1479 . 1 1 159 159 ASN CA C 13 53.459 0.3 . 1 . . . . . 158 ASN CA . 30043 1 1480 . 1 1 159 159 ASN CB C 13 38.884 0.3 . 1 . . . . . 158 ASN CB . 30043 1 1481 . 1 1 159 159 ASN N N 15 116.926 0.3 . 1 . . . . . 158 ASN N . 30043 1 1482 . 1 1 160 160 ARG H H 1 7.535 0.02 . 1 . . . . . 159 ARG H . 30043 1 1483 . 1 1 160 160 ARG HA H 1 4.088 0.02 . 1 . . . . . 159 ARG HA . 30043 1 1484 . 1 1 160 160 ARG HB2 H 1 1.706 0.02 . 1 . . . . . 159 ARG HB2 . 30043 1 1485 . 1 1 160 160 ARG HB3 H 1 1.706 0.02 . 1 . . . . . 159 ARG HB3 . 30043 1 1486 . 1 1 160 160 ARG HG2 H 1 1.47 0.02 . 1 . . . . . 159 ARG HG2 . 30043 1 1487 . 1 1 160 160 ARG HG3 H 1 1.47 0.02 . 1 . . . . . 159 ARG HG3 . 30043 1 1488 . 1 1 160 160 ARG HD2 H 1 2.898 0.02 . 2 . . . . . 159 ARG HD2 . 30043 1 1489 . 1 1 160 160 ARG HD3 H 1 2.801 0.02 . 2 . . . . . 159 ARG HD3 . 30043 1 1490 . 1 1 160 160 ARG CA C 13 57.077 0.3 . 1 . . . . . 159 ARG CA . 30043 1 1491 . 1 1 160 160 ARG CB C 13 29.913 0.3 . 1 . . . . . 159 ARG CB . 30043 1 1492 . 1 1 160 160 ARG CG C 13 26.944 0.3 . 1 . . . . . 159 ARG CG . 30043 1 1493 . 1 1 160 160 ARG CD C 13 43.425 0.3 . 1 . . . . . 159 ARG CD . 30043 1 1494 . 1 1 160 160 ARG N N 15 120.032 0.3 . 1 . . . . . 159 ARG N . 30043 1 stop_ save_