data_34748 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34748 _Entry.Title ; Solution NMR structure of full-length Nsp1 from SARS-CoV-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-08 _Entry.Accession_date 2022-08-08 _Entry.Last_release_date 2022-08-23 _Entry.Original_release_date 2022-08-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Y. Wang Y. . . . 34748 2 J. Kirkpatrick J. P. . . 34748 3 T. Carlomagno T. . . . 34748 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Non-structural protein Host translation inhibitor' . 34748 'VIRAL PROTEIN' . 34748 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34748 spectral_peak_list 1 34748 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 803 34748 '15N chemical shifts' 187 34748 '1H chemical shifts' 1269 34748 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 . . 2022-12-09 . original BMRB . 34748 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50620 'backbone chemical shift assignments for this protein' 34748 PDB 8AOU 'BMRB Entry Tracking System' 34748 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34748 _Citation.ID 1 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33770349 _Citation.DOI 10.1007/s12104-021-10019-6 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone chemical-shift assignments of SARS-CoV-2 non-structural protein 1 (leader protein) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-2718 _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 287 _Citation.Page_last 295 _Citation.Year 2021 _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 Y. Wang Y. . . . 34748 1 2 J. Kirkpatrick J. . . . 34748 1 3 S. 'zur Lage' S. . . . 34748 1 4 S. Korn S. . . . 34748 1 5 K. Neissner K. . . . 34748 1 6 H. Schwalbe H. . . . 34748 1 7 A. Schlundt A. . . . 34748 1 8 T. Carlomagno T. . . . 34748 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 34748 _Citation.ID 2 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural insights into the activity regulation of full-length non-structural protein 1 from SARS-CoV-2 ; _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 Y. Wang Y. . . . 34748 2 2 J. Kirkpatrick J. P. . . 34748 2 3 S. 'zur Lage' S. . . . 34748 2 4 T. Carlomagno T. . . . 34748 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34748 _Assembly.ID 1 _Assembly.Name 'Host translation inhibitor nsp1' _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 unit_1 1 $entity_1 A A yes . . . . . . 34748 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34748 _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 ; GAMESLVPGFNEKTHVQLSL PVLQVRDVLVRGFGDSVEEV LSEARQHLKDGTCGLVEVEK GVLPQLEQPYVFIKRSDART APHGHVMVELVAELEGIQYG RSGETLGVLVPHVGEIPVAY RKVLLRKNGNKGAGGHSYGA DLKSFDLGDELGTDPYEDFQ ENWNTKHSSGVTRELMRELN GG ; _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 182 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19929.414 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The first two residues (GA) in the protein construct used are cloning artifacts. Therefore, the appropriate residue numbering has the first residue (G) designated as residue-number '-1', so that the third residue has residue-number '1'. ; _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 'Leader protein' common 34748 1 'Non-structural protein 1' common 34748 1 nsp1 common 34748 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 34748 1 2 0 ALA . 34748 1 3 1 MET . 34748 1 4 2 GLU . 34748 1 5 3 SER . 34748 1 6 4 LEU . 34748 1 7 5 VAL . 34748 1 8 6 PRO . 34748 1 9 7 GLY . 34748 1 10 8 PHE . 34748 1 11 9 ASN . 34748 1 12 10 GLU . 34748 1 13 11 LYS . 34748 1 14 12 THR . 34748 1 15 13 HIS . 34748 1 16 14 VAL . 34748 1 17 15 GLN . 34748 1 18 16 LEU . 34748 1 19 17 SER . 34748 1 20 18 LEU . 34748 1 21 19 PRO . 34748 1 22 20 VAL . 34748 1 23 21 LEU . 34748 1 24 22 GLN . 34748 1 25 23 VAL . 34748 1 26 24 ARG . 34748 1 27 25 ASP . 34748 1 28 26 VAL . 34748 1 29 27 LEU . 34748 1 30 28 VAL . 34748 1 31 29 ARG . 34748 1 32 30 GLY . 34748 1 33 31 PHE . 34748 1 34 32 GLY . 34748 1 35 33 ASP . 34748 1 36 34 SER . 34748 1 37 35 VAL . 34748 1 38 36 GLU . 34748 1 39 37 GLU . 34748 1 40 38 VAL . 34748 1 41 39 LEU . 34748 1 42 40 SER . 34748 1 43 41 GLU . 34748 1 44 42 ALA . 34748 1 45 43 ARG . 34748 1 46 44 GLN . 34748 1 47 45 HIS . 34748 1 48 46 LEU . 34748 1 49 47 LYS . 34748 1 50 48 ASP . 34748 1 51 49 GLY . 34748 1 52 50 THR . 34748 1 53 51 CYS . 34748 1 54 52 GLY . 34748 1 55 53 LEU . 34748 1 56 54 VAL . 34748 1 57 55 GLU . 34748 1 58 56 VAL . 34748 1 59 57 GLU . 34748 1 60 58 LYS . 34748 1 61 59 GLY . 34748 1 62 60 VAL . 34748 1 63 61 LEU . 34748 1 64 62 PRO . 34748 1 65 63 GLN . 34748 1 66 64 LEU . 34748 1 67 65 GLU . 34748 1 68 66 GLN . 34748 1 69 67 PRO . 34748 1 70 68 TYR . 34748 1 71 69 VAL . 34748 1 72 70 PHE . 34748 1 73 71 ILE . 34748 1 74 72 LYS . 34748 1 75 73 ARG . 34748 1 76 74 SER . 34748 1 77 75 ASP . 34748 1 78 76 ALA . 34748 1 79 77 ARG . 34748 1 80 78 THR . 34748 1 81 79 ALA . 34748 1 82 80 PRO . 34748 1 83 81 HIS . 34748 1 84 82 GLY . 34748 1 85 83 HIS . 34748 1 86 84 VAL . 34748 1 87 85 MET . 34748 1 88 86 VAL . 34748 1 89 87 GLU . 34748 1 90 88 LEU . 34748 1 91 89 VAL . 34748 1 92 90 ALA . 34748 1 93 91 GLU . 34748 1 94 92 LEU . 34748 1 95 93 GLU . 34748 1 96 94 GLY . 34748 1 97 95 ILE . 34748 1 98 96 GLN . 34748 1 99 97 TYR . 34748 1 100 98 GLY . 34748 1 101 99 ARG . 34748 1 102 100 SER . 34748 1 103 101 GLY . 34748 1 104 102 GLU . 34748 1 105 103 THR . 34748 1 106 104 LEU . 34748 1 107 105 GLY . 34748 1 108 106 VAL . 34748 1 109 107 LEU . 34748 1 110 108 VAL . 34748 1 111 109 PRO . 34748 1 112 110 HIS . 34748 1 113 111 VAL . 34748 1 114 112 GLY . 34748 1 115 113 GLU . 34748 1 116 114 ILE . 34748 1 117 115 PRO . 34748 1 118 116 VAL . 34748 1 119 117 ALA . 34748 1 120 118 TYR . 34748 1 121 119 ARG . 34748 1 122 120 LYS . 34748 1 123 121 VAL . 34748 1 124 122 LEU . 34748 1 125 123 LEU . 34748 1 126 124 ARG . 34748 1 127 125 LYS . 34748 1 128 126 ASN . 34748 1 129 127 GLY . 34748 1 130 128 ASN . 34748 1 131 129 LYS . 34748 1 132 130 GLY . 34748 1 133 131 ALA . 34748 1 134 132 GLY . 34748 1 135 133 GLY . 34748 1 136 134 HIS . 34748 1 137 135 SER . 34748 1 138 136 TYR . 34748 1 139 137 GLY . 34748 1 140 138 ALA . 34748 1 141 139 ASP . 34748 1 142 140 LEU . 34748 1 143 141 LYS . 34748 1 144 142 SER . 34748 1 145 143 PHE . 34748 1 146 144 ASP . 34748 1 147 145 LEU . 34748 1 148 146 GLY . 34748 1 149 147 ASP . 34748 1 150 148 GLU . 34748 1 151 149 LEU . 34748 1 152 150 GLY . 34748 1 153 151 THR . 34748 1 154 152 ASP . 34748 1 155 153 PRO . 34748 1 156 154 TYR . 34748 1 157 155 GLU . 34748 1 158 156 ASP . 34748 1 159 157 PHE . 34748 1 160 158 GLN . 34748 1 161 159 GLU . 34748 1 162 160 ASN . 34748 1 163 161 TRP . 34748 1 164 162 ASN . 34748 1 165 163 THR . 34748 1 166 164 LYS . 34748 1 167 165 HIS . 34748 1 168 166 SER . 34748 1 169 167 SER . 34748 1 170 168 GLY . 34748 1 171 169 VAL . 34748 1 172 170 THR . 34748 1 173 171 ARG . 34748 1 174 172 GLU . 34748 1 175 173 LEU . 34748 1 176 174 MET . 34748 1 177 175 ARG . 34748 1 178 176 GLU . 34748 1 179 177 LEU . 34748 1 180 178 ASN . 34748 1 181 179 GLY . 34748 1 182 180 GLY . 34748 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34748 1 . ALA 2 2 34748 1 . MET 3 3 34748 1 . GLU 4 4 34748 1 . SER 5 5 34748 1 . LEU 6 6 34748 1 . VAL 7 7 34748 1 . PRO 8 8 34748 1 . GLY 9 9 34748 1 . PHE 10 10 34748 1 . ASN 11 11 34748 1 . GLU 12 12 34748 1 . LYS 13 13 34748 1 . THR 14 14 34748 1 . HIS 15 15 34748 1 . VAL 16 16 34748 1 . GLN 17 17 34748 1 . LEU 18 18 34748 1 . SER 19 19 34748 1 . LEU 20 20 34748 1 . PRO 21 21 34748 1 . VAL 22 22 34748 1 . LEU 23 23 34748 1 . GLN 24 24 34748 1 . VAL 25 25 34748 1 . ARG 26 26 34748 1 . ASP 27 27 34748 1 . VAL 28 28 34748 1 . LEU 29 29 34748 1 . VAL 30 30 34748 1 . ARG 31 31 34748 1 . GLY 32 32 34748 1 . PHE 33 33 34748 1 . GLY 34 34 34748 1 . ASP 35 35 34748 1 . SER 36 36 34748 1 . VAL 37 37 34748 1 . GLU 38 38 34748 1 . GLU 39 39 34748 1 . VAL 40 40 34748 1 . LEU 41 41 34748 1 . SER 42 42 34748 1 . GLU 43 43 34748 1 . ALA 44 44 34748 1 . ARG 45 45 34748 1 . GLN 46 46 34748 1 . HIS 47 47 34748 1 . LEU 48 48 34748 1 . LYS 49 49 34748 1 . ASP 50 50 34748 1 . GLY 51 51 34748 1 . THR 52 52 34748 1 . CYS 53 53 34748 1 . GLY 54 54 34748 1 . LEU 55 55 34748 1 . VAL 56 56 34748 1 . GLU 57 57 34748 1 . VAL 58 58 34748 1 . GLU 59 59 34748 1 . LYS 60 60 34748 1 . GLY 61 61 34748 1 . VAL 62 62 34748 1 . LEU 63 63 34748 1 . PRO 64 64 34748 1 . GLN 65 65 34748 1 . LEU 66 66 34748 1 . GLU 67 67 34748 1 . GLN 68 68 34748 1 . PRO 69 69 34748 1 . TYR 70 70 34748 1 . VAL 71 71 34748 1 . PHE 72 72 34748 1 . ILE 73 73 34748 1 . LYS 74 74 34748 1 . ARG 75 75 34748 1 . SER 76 76 34748 1 . ASP 77 77 34748 1 . ALA 78 78 34748 1 . ARG 79 79 34748 1 . THR 80 80 34748 1 . ALA 81 81 34748 1 . PRO 82 82 34748 1 . HIS 83 83 34748 1 . GLY 84 84 34748 1 . HIS 85 85 34748 1 . VAL 86 86 34748 1 . MET 87 87 34748 1 . VAL 88 88 34748 1 . GLU 89 89 34748 1 . LEU 90 90 34748 1 . VAL 91 91 34748 1 . ALA 92 92 34748 1 . GLU 93 93 34748 1 . LEU 94 94 34748 1 . GLU 95 95 34748 1 . GLY 96 96 34748 1 . ILE 97 97 34748 1 . GLN 98 98 34748 1 . TYR 99 99 34748 1 . GLY 100 100 34748 1 . ARG 101 101 34748 1 . SER 102 102 34748 1 . GLY 103 103 34748 1 . GLU 104 104 34748 1 . THR 105 105 34748 1 . LEU 106 106 34748 1 . GLY 107 107 34748 1 . VAL 108 108 34748 1 . LEU 109 109 34748 1 . VAL 110 110 34748 1 . PRO 111 111 34748 1 . HIS 112 112 34748 1 . VAL 113 113 34748 1 . GLY 114 114 34748 1 . GLU 115 115 34748 1 . ILE 116 116 34748 1 . PRO 117 117 34748 1 . VAL 118 118 34748 1 . ALA 119 119 34748 1 . TYR 120 120 34748 1 . ARG 121 121 34748 1 . LYS 122 122 34748 1 . VAL 123 123 34748 1 . LEU 124 124 34748 1 . LEU 125 125 34748 1 . ARG 126 126 34748 1 . LYS 127 127 34748 1 . ASN 128 128 34748 1 . GLY 129 129 34748 1 . ASN 130 130 34748 1 . LYS 131 131 34748 1 . GLY 132 132 34748 1 . ALA 133 133 34748 1 . GLY 134 134 34748 1 . GLY 135 135 34748 1 . HIS 136 136 34748 1 . SER 137 137 34748 1 . TYR 138 138 34748 1 . GLY 139 139 34748 1 . ALA 140 140 34748 1 . ASP 141 141 34748 1 . LEU 142 142 34748 1 . LYS 143 143 34748 1 . SER 144 144 34748 1 . PHE 145 145 34748 1 . ASP 146 146 34748 1 . LEU 147 147 34748 1 . GLY 148 148 34748 1 . ASP 149 149 34748 1 . GLU 150 150 34748 1 . LEU 151 151 34748 1 . GLY 152 152 34748 1 . THR 153 153 34748 1 . ASP 154 154 34748 1 . PRO 155 155 34748 1 . TYR 156 156 34748 1 . GLU 157 157 34748 1 . ASP 158 158 34748 1 . PHE 159 159 34748 1 . GLN 160 160 34748 1 . GLU 161 161 34748 1 . ASN 162 162 34748 1 . TRP 163 163 34748 1 . ASN 164 164 34748 1 . THR 165 165 34748 1 . LYS 166 166 34748 1 . HIS 167 167 34748 1 . SER 168 168 34748 1 . SER 169 169 34748 1 . GLY 170 170 34748 1 . VAL 171 171 34748 1 . THR 172 172 34748 1 . ARG 173 173 34748 1 . GLU 174 174 34748 1 . LEU 175 175 34748 1 . MET 176 176 34748 1 . ARG 177 177 34748 1 . GLU 178 178 34748 1 . LEU 179 179 34748 1 . ASN 180 180 34748 1 . GLY 181 181 34748 1 . GLY 182 182 34748 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 34748 _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 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS 'SARS coronavirus 2' . . . . . . . . . . . . 34748 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 34748 _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' . . 511693 . . . . . Plasmid . . pETM11 . . . 34748 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34748 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 600 uM [U-13C; U-15N] Nsp1, 50 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT, 2 mM EDTA, 0.01 % w/v sodium azide, 10 % v/v [U-2H] D2O, 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 Nsp1 '[U-13C; U-15N]' . . 1 $entity_1 . . 600 . . uM 100 . . . 34748 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 5 . . . 34748 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 34748 1 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 34748 1 5 EDTA 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 34748 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/v' 0.001 . . . 34748 1 7 D2O [U-2H] . . . . . . 10 . . '% v/v' 0.5 . . . 34748 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34748 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 500 uM [U-10% 13C; U-100% 15N] Nsp1, 50 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT, 2 mM EDTA, 0.01 % w/v sodium azide, 10 % v/v [U-2H] D2O, 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 Nsp1 '[U-10% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM 100 . . . 34748 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 5 . . . 34748 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 34748 2 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 34748 2 5 EDTA 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 34748 2 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/v' 0.001 . . . 34748 2 7 D2O [U-2H] . . . . . . 10 . . '% v/v' 0.5 . . . 34748 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34748 _Sample.ID 3 _Sample.Name . _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details ; 500 uM [U-10% 13C; U-100% 15N] Nsp1, 50 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT, 2 mM EDTA, 0.01 % w/w sodium azide, 10 % v/v [U-2H] D2O, 12 mg/mL Pf1 phage, 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 Nsp1 '[U-10% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM 100 . . . 34748 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM 5 . . . 34748 3 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 34748 3 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 34748 3 5 EDTA 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 34748 3 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/w' 0.001 . . . 34748 3 7 D2O [U-2H] . . . . . . 10 . . '% v/v' 0.5 . . . 34748 3 8 'Pf1 phage' 'natural abundance' . . . . . . 12 . . mg/mL 1 . . . 34748 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34748 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 560 20 mM 34748 1 pH 6.5 0.1 pH 34748 1 pressure 1 . atm 34748 1 temperature 298 0.2 K 34748 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34748 _Software.ID 1 _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' . . 34748 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34748 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34748 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 10.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34748 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34748 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34748 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34748 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34748 3 'data analysis' . 34748 3 'peak picking' . 34748 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34748 _Software.ID 4 _Software.Type . _Software.Name ARIA _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34748 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34748 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34748 _Software.ID 5 _Software.Type . _Software.Name CNS _Software.Version 1.21 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34748 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34748 5 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 34748 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Equipped with N2-cooled cryogenic inverse HCN probehead' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _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 34748 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Equpped with He-cooled cryogenic inverse HCN probehead' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 34748 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 'AVANCE III HD' . 600 . . . 34748 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 850 . . . 34748 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 34748 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34748 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34748 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34748 1 8 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34748 1 9 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34748 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 11 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34748 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34748 1 13 '3D HA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34748 1 14 '3D HC(C)H-TOCSY (aromatics)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34748 1 15 '3D (H)CCH-TOCSY (aromatics)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34748 1 16 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34748 1 17 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34748 1 18 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34748 1 19 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 20 '2D CT 1H-13C HSQC (aliphatics)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 21 '2D CT 1H-13C HSQC (aromatics)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 22 '2D CT 1H-13C HSQC (methyls)' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 23 '3D NOESY-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 24 '3D NOESY-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 25 CLEANEX no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 26 '2D SCT 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 27 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 28 '2D IPAP 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 29 '2D SCT 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 30 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 1 31 '2D IPAP 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34748 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 34748 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . 34748 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . 34748 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . 34748 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 34748 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 1 '2D 1H-15N HSQC' . . . 34748 1 2 '2D 1H-15N HSQC' . . . 34748 1 3 '3D HNCO' . . . 34748 1 4 '3D HNCO' . . . 34748 1 5 '3D HNCA' . . . 34748 1 6 '3D HNCACB' . . . 34748 1 7 '3D HN(CO)CA' . . . 34748 1 8 '3D HN(COCA)CB' . . . 34748 1 9 '3D HN(CA)CO' . . . 34748 1 10 '3D HCCH-TOCSY' . . . 34748 1 11 '3D H(CCO)NH' . . . 34748 1 12 '3D HBHA(CO)NH' . . . 34748 1 13 '3D HA(CO)NH' . . . 34748 1 14 '3D HC(C)H-TOCSY (aromatics)' . . . 34748 1 15 '3D (H)CCH-TOCSY (aromatics)' . . . 34748 1 16 '2D (HB)CB(CGCD)HD' . . . 34748 1 17 '2D (HB)CB(CGCDCE)HE' . . . 34748 1 18 '2D 1H-13C HSQC' . . . 34748 1 19 '2D 1H-13C HSQC' . . . 34748 1 20 '2D CT 1H-13C HSQC (aliphatics)' . . . 34748 1 21 '2D CT 1H-13C HSQC (aromatics)' . . . 34748 1 22 '2D CT 1H-13C HSQC (methyls)' . . . 34748 1 23 '3D NOESY-15N HSQC' . . . 34748 1 24 '3D NOESY-13C HSQC' . . . 34748 1 25 CLEANEX . . . 34748 1 26 '2D SCT 1H-15N HSQC' . . . 34748 1 27 '2D 1H-15N TROSY-HSQC' . . . 34748 1 28 '2D IPAP 1H-15N HSQC' . . . 34748 1 29 '2D SCT 1H-15N HSQC' . . . 34748 1 30 '2D 1H-15N TROSY-HSQC' . . . 34748 1 31 '2D IPAP 1H-15N HSQC' . . . 34748 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 2 2 ALA HA H 1 4.335 0.001 . 1 . . . . A 0 ALA HA . 34748 1 2 . 1 . 1 2 2 ALA HB1 H 1 1.402 0.001 . 1 . . . . A 0 ALA HB1 . 34748 1 3 . 1 . 1 2 2 ALA HB2 H 1 1.402 0.001 . 1 . . . . A 0 ALA HB2 . 34748 1 4 . 1 . 1 2 2 ALA HB3 H 1 1.402 0.001 . 1 . . . . A 0 ALA HB3 . 34748 1 5 . 1 . 1 2 2 ALA C C 13 178.056 0.000 . 1 . . . . A 0 ALA C . 34748 1 6 . 1 . 1 2 2 ALA CA C 13 52.865 0.005 . 1 . . . . A 0 ALA CA . 34748 1 7 . 1 . 1 2 2 ALA CB C 13 19.371 0.012 . 1 . . . . A 0 ALA CB . 34748 1 8 . 1 . 1 3 3 MET H H 1 8.534 0.001 . 1 . . . . A 1 MET H . 34748 1 9 . 1 . 1 3 3 MET HA H 1 4.435 0.001 . 1 . . . . A 1 MET HA . 34748 1 10 . 1 . 1 3 3 MET HB2 H 1 2.024 0.002 . 2 . . . . A 1 MET HB2 . 34748 1 11 . 1 . 1 3 3 MET HB3 H 1 2.081 0.002 . 2 . . . . A 1 MET HB3 . 34748 1 12 . 1 . 1 3 3 MET HG2 H 1 2.542 0.001 . 2 . . . . A 1 MET HG2 . 34748 1 13 . 1 . 1 3 3 MET HG3 H 1 2.609 0.002 . 2 . . . . A 1 MET HG3 . 34748 1 14 . 1 . 1 3 3 MET HE1 H 1 2.080 0.000 . 1 . . . . A 1 MET HE1 . 34748 1 15 . 1 . 1 3 3 MET HE2 H 1 2.080 0.000 . 1 . . . . A 1 MET HE2 . 34748 1 16 . 1 . 1 3 3 MET HE3 H 1 2.080 0.000 . 1 . . . . A 1 MET HE3 . 34748 1 17 . 1 . 1 3 3 MET C C 13 176.483 0.001 . 1 . . . . A 1 MET C . 34748 1 18 . 1 . 1 3 3 MET CA C 13 55.805 0.014 . 1 . . . . A 1 MET CA . 34748 1 19 . 1 . 1 3 3 MET CB C 13 32.635 0.021 . 1 . . . . A 1 MET CB . 34748 1 20 . 1 . 1 3 3 MET CG C 13 32.102 0.017 . 1 . . . . A 1 MET CG . 34748 1 21 . 1 . 1 3 3 MET CE C 13 16.998 0.004 . 1 . . . . A 1 MET CE . 34748 1 22 . 1 . 1 3 3 MET N N 15 119.385 0.009 . 1 . . . . A 1 MET N . 34748 1 23 . 1 . 1 4 4 GLU H H 1 8.426 0.002 . 1 . . . . A 2 GLU H . 34748 1 24 . 1 . 1 4 4 GLU HA H 1 4.278 0.002 . 1 . . . . A 2 GLU HA . 34748 1 25 . 1 . 1 4 4 GLU HB2 H 1 1.956 0.001 . 2 . . . . A 2 GLU HB2 . 34748 1 26 . 1 . 1 4 4 GLU HB3 H 1 2.039 0.001 . 2 . . . . A 2 GLU HB3 . 34748 1 27 . 1 . 1 4 4 GLU HG2 H 1 2.262 0.003 . 1 . . . . A 2 GLU HG2 . 34748 1 28 . 1 . 1 4 4 GLU HG3 H 1 2.261 0.000 . 1 . . . . A 2 GLU HG3 . 34748 1 29 . 1 . 1 4 4 GLU C C 13 176.475 0.007 . 1 . . . . A 2 GLU C . 34748 1 30 . 1 . 1 4 4 GLU CA C 13 56.997 0.003 . 1 . . . . A 2 GLU CA . 34748 1 31 . 1 . 1 4 4 GLU CB C 13 30.254 0.004 . 1 . . . . A 2 GLU CB . 34748 1 32 . 1 . 1 4 4 GLU CG C 13 36.403 0.012 . 1 . . . . A 2 GLU CG . 34748 1 33 . 1 . 1 4 4 GLU N N 15 121.916 0.015 . 1 . . . . A 2 GLU N . 34748 1 34 . 1 . 1 5 5 SER H H 1 8.250 0.002 . 1 . . . . A 3 SER H . 34748 1 35 . 1 . 1 5 5 SER HA H 1 4.415 0.002 . 1 . . . . A 3 SER HA . 34748 1 36 . 1 . 1 5 5 SER HB2 H 1 3.833 0.002 . 1 . . . . A 3 SER HB2 . 34748 1 37 . 1 . 1 5 5 SER HB3 H 1 3.833 0.002 . 1 . . . . A 3 SER HB3 . 34748 1 38 . 1 . 1 5 5 SER C C 13 174.265 0.001 . 1 . . . . A 3 SER C . 34748 1 39 . 1 . 1 5 5 SER CA C 13 58.316 0.045 . 1 . . . . A 3 SER CA . 34748 1 40 . 1 . 1 5 5 SER CB C 13 63.795 0.018 . 1 . . . . A 3 SER CB . 34748 1 41 . 1 . 1 5 5 SER N N 15 116.291 0.015 . 1 . . . . A 3 SER N . 34748 1 42 . 1 . 1 6 6 LEU H H 1 8.211 0.001 . 1 . . . . A 4 LEU H . 34748 1 43 . 1 . 1 6 6 LEU HA H 1 4.365 0.001 . 1 . . . . A 4 LEU HA . 34748 1 44 . 1 . 1 6 6 LEU HB2 H 1 1.562 0.001 . 2 . . . . A 4 LEU HB2 . 34748 1 45 . 1 . 1 6 6 LEU HB3 H 1 1.637 0.000 . 2 . . . . A 4 LEU HB3 . 34748 1 46 . 1 . 1 6 6 LEU HG H 1 1.596 0.000 . 1 . . . . A 4 LEU HG . 34748 1 47 . 1 . 1 6 6 LEU HD11 H 1 0.896 0.000 . 1 . . . . A 4 LEU HD11 . 34748 1 48 . 1 . 1 6 6 LEU HD12 H 1 0.896 0.000 . 1 . . . . A 4 LEU HD12 . 34748 1 49 . 1 . 1 6 6 LEU HD13 H 1 0.896 0.000 . 1 . . . . A 4 LEU HD13 . 34748 1 50 . 1 . 1 6 6 LEU HD21 H 1 0.833 0.001 . 1 . . . . A 4 LEU HD21 . 34748 1 51 . 1 . 1 6 6 LEU HD22 H 1 0.833 0.001 . 1 . . . . A 4 LEU HD22 . 34748 1 52 . 1 . 1 6 6 LEU HD23 H 1 0.833 0.001 . 1 . . . . A 4 LEU HD23 . 34748 1 53 . 1 . 1 6 6 LEU C C 13 177.063 0.002 . 1 . . . . A 4 LEU C . 34748 1 54 . 1 . 1 6 6 LEU CA C 13 55.241 0.016 . 1 . . . . A 4 LEU CA . 34748 1 55 . 1 . 1 6 6 LEU CB C 13 42.407 0.012 . 1 . . . . A 4 LEU CB . 34748 1 56 . 1 . 1 6 6 LEU CG C 13 27.025 0.003 . 1 . . . . A 4 LEU CG . 34748 1 57 . 1 . 1 6 6 LEU CD1 C 13 24.993 0.006 . 1 . . . . A 4 LEU CD1 . 34748 1 58 . 1 . 1 6 6 LEU CD2 C 13 23.490 0.003 . 1 . . . . A 4 LEU CD2 . 34748 1 59 . 1 . 1 6 6 LEU N N 15 124.191 0.014 . 1 . . . . A 4 LEU N . 34748 1 60 . 1 . 1 7 7 VAL H H 1 8.115 0.001 . 1 . . . . A 5 VAL H . 34748 1 61 . 1 . 1 7 7 VAL HA H 1 4.372 0.001 . 1 . . . . A 5 VAL HA . 34748 1 62 . 1 . 1 7 7 VAL HB H 1 2.051 0.001 . 1 . . . . A 5 VAL HB . 34748 1 63 . 1 . 1 7 7 VAL HG11 H 1 0.913 0.001 . 1 . . . . A 5 VAL HG11 . 34748 1 64 . 1 . 1 7 7 VAL HG12 H 1 0.913 0.001 . 1 . . . . A 5 VAL HG12 . 34748 1 65 . 1 . 1 7 7 VAL HG13 H 1 0.913 0.001 . 1 . . . . A 5 VAL HG13 . 34748 1 66 . 1 . 1 7 7 VAL HG21 H 1 0.886 0.001 . 1 . . . . A 5 VAL HG21 . 34748 1 67 . 1 . 1 7 7 VAL HG22 H 1 0.886 0.001 . 1 . . . . A 5 VAL HG22 . 34748 1 68 . 1 . 1 7 7 VAL HG23 H 1 0.886 0.001 . 1 . . . . A 5 VAL HG23 . 34748 1 69 . 1 . 1 7 7 VAL C C 13 174.329 0.000 . 1 . . . . A 5 VAL C . 34748 1 70 . 1 . 1 7 7 VAL CA C 13 59.812 0.011 . 1 . . . . A 5 VAL CA . 34748 1 71 . 1 . 1 7 7 VAL CB C 13 32.554 0.040 . 1 . . . . A 5 VAL CB . 34748 1 72 . 1 . 1 7 7 VAL CG1 C 13 21.155 0.010 . 1 . . . . A 5 VAL CG1 . 34748 1 73 . 1 . 1 7 7 VAL CG2 C 13 20.447 0.006 . 1 . . . . A 5 VAL CG2 . 34748 1 74 . 1 . 1 7 7 VAL N N 15 122.262 0.017 . 1 . . . . A 5 VAL N . 34748 1 75 . 1 . 1 8 8 PRO HA H 1 4.376 0.002 . 1 . . . . A 6 PRO HA . 34748 1 76 . 1 . 1 8 8 PRO HB2 H 1 1.843 0.002 . 2 . . . . A 6 PRO HB2 . 34748 1 77 . 1 . 1 8 8 PRO HB3 H 1 2.233 0.002 . 2 . . . . A 6 PRO HB3 . 34748 1 78 . 1 . 1 8 8 PRO HG2 H 1 1.935 0.002 . 2 . . . . A 6 PRO HG2 . 34748 1 79 . 1 . 1 8 8 PRO HG3 H 1 2.005 0.001 . 2 . . . . A 6 PRO HG3 . 34748 1 80 . 1 . 1 8 8 PRO HD2 H 1 3.654 0.002 . 2 . . . . A 6 PRO HD2 . 34748 1 81 . 1 . 1 8 8 PRO HD3 H 1 3.836 0.002 . 2 . . . . A 6 PRO HD3 . 34748 1 82 . 1 . 1 8 8 PRO C C 13 177.448 0.000 . 1 . . . . A 6 PRO C . 34748 1 83 . 1 . 1 8 8 PRO CA C 13 63.516 0.035 . 1 . . . . A 6 PRO CA . 34748 1 84 . 1 . 1 8 8 PRO CB C 13 32.133 0.016 . 1 . . . . A 6 PRO CB . 34748 1 85 . 1 . 1 8 8 PRO CG C 13 27.469 0.010 . 1 . . . . A 6 PRO CG . 34748 1 86 . 1 . 1 8 8 PRO CD C 13 50.975 0.020 . 1 . . . . A 6 PRO CD . 34748 1 87 . 1 . 1 9 9 GLY H H 1 8.488 0.001 . 1 . . . . A 7 GLY H . 34748 1 88 . 1 . 1 9 9 GLY HA2 H 1 3.923 0.002 . 1 . . . . A 7 GLY HA2 . 34748 1 89 . 1 . 1 9 9 GLY HA3 H 1 3.923 0.002 . 1 . . . . A 7 GLY HA3 . 34748 1 90 . 1 . 1 9 9 GLY C C 13 173.543 0.003 . 1 . . . . A 7 GLY C . 34748 1 91 . 1 . 1 9 9 GLY CA C 13 45.237 0.008 . 1 . . . . A 7 GLY CA . 34748 1 92 . 1 . 1 9 9 GLY N N 15 109.139 0.013 . 1 . . . . A 7 GLY N . 34748 1 93 . 1 . 1 10 10 PHE H H 1 7.822 0.006 . 1 . . . . A 8 PHE H . 34748 1 94 . 1 . 1 10 10 PHE HA H 1 4.497 0.003 . 1 . . . . A 8 PHE HA . 34748 1 95 . 1 . 1 10 10 PHE HB2 H 1 2.812 0.004 . 2 . . . . A 8 PHE HB2 . 34748 1 96 . 1 . 1 10 10 PHE HB3 H 1 2.871 0.002 . 2 . . . . A 8 PHE HB3 . 34748 1 97 . 1 . 1 10 10 PHE HD1 H 1 6.944 0.004 . 1 . . . . A 8 PHE HD1 . 34748 1 98 . 1 . 1 10 10 PHE HD2 H 1 6.944 0.004 . 1 . . . . A 8 PHE HD2 . 34748 1 99 . 1 . 1 10 10 PHE HE1 H 1 7.185 0.003 . 1 . . . . A 8 PHE HE1 . 34748 1 100 . 1 . 1 10 10 PHE HE2 H 1 7.185 0.003 . 1 . . . . A 8 PHE HE2 . 34748 1 101 . 1 . 1 10 10 PHE HZ H 1 7.229 0.003 . 1 . . . . A 8 PHE HZ . 34748 1 102 . 1 . 1 10 10 PHE C C 13 174.086 0.032 . 1 . . . . A 8 PHE C . 34748 1 103 . 1 . 1 10 10 PHE CA C 13 57.021 0.019 . 1 . . . . A 8 PHE CA . 34748 1 104 . 1 . 1 10 10 PHE CB C 13 39.938 0.026 . 1 . . . . A 8 PHE CB . 34748 1 105 . 1 . 1 10 10 PHE CD1 C 13 132.022 0.094 . 1 . . . . A 8 PHE CD1 . 34748 1 106 . 1 . 1 10 10 PHE CD2 C 13 132.022 0.094 . 1 . . . . A 8 PHE CD2 . 34748 1 107 . 1 . 1 10 10 PHE CE1 C 13 131.271 0.125 . 1 . . . . A 8 PHE CE1 . 34748 1 108 . 1 . 1 10 10 PHE CE2 C 13 131.271 0.125 . 1 . . . . A 8 PHE CE2 . 34748 1 109 . 1 . 1 10 10 PHE CZ C 13 130.031 0.010 . 1 . . . . A 8 PHE CZ . 34748 1 110 . 1 . 1 10 10 PHE N N 15 118.607 0.028 . 1 . . . . A 8 PHE N . 34748 1 111 . 1 . 1 11 11 ASN H H 1 8.626 0.002 . 1 . . . . A 9 ASN H . 34748 1 112 . 1 . 1 11 11 ASN HA H 1 4.593 0.003 . 1 . . . . A 9 ASN HA . 34748 1 113 . 1 . 1 11 11 ASN HB2 H 1 2.662 0.004 . 2 . . . . A 9 ASN HB2 . 34748 1 114 . 1 . 1 11 11 ASN HB3 H 1 3.167 0.007 . 2 . . . . A 9 ASN HB3 . 34748 1 115 . 1 . 1 11 11 ASN HD21 H 1 6.992 0.002 . 1 . . . . A 9 ASN HD21 . 34748 1 116 . 1 . 1 11 11 ASN HD22 H 1 7.522 0.003 . 1 . . . . A 9 ASN HD22 . 34748 1 117 . 1 . 1 11 11 ASN C C 13 175.077 0.001 . 1 . . . . A 9 ASN C . 34748 1 118 . 1 . 1 11 11 ASN CA C 13 52.785 0.044 . 1 . . . . A 9 ASN CA . 34748 1 119 . 1 . 1 11 11 ASN CB C 13 38.887 0.029 . 1 . . . . A 9 ASN CB . 34748 1 120 . 1 . 1 11 11 ASN CG C 13 177.520 0.014 . 1 . . . . A 9 ASN CG . 34748 1 121 . 1 . 1 11 11 ASN N N 15 121.380 0.019 . 1 . . . . A 9 ASN N . 34748 1 122 . 1 . 1 11 11 ASN ND2 N 15 112.468 0.015 . 1 . . . . A 9 ASN ND2 . 34748 1 123 . 1 . 1 12 12 GLU H H 1 8.610 0.004 . 1 . . . . A 10 GLU H . 34748 1 124 . 1 . 1 12 12 GLU HA H 1 4.404 0.005 . 1 . . . . A 10 GLU HA . 34748 1 125 . 1 . 1 12 12 GLU HB2 H 1 2.054 0.012 . 2 . . . . A 10 GLU HB2 . 34748 1 126 . 1 . 1 12 12 GLU HB3 H 1 2.081 0.011 . 2 . . . . A 10 GLU HB3 . 34748 1 127 . 1 . 1 12 12 GLU HG2 H 1 2.232 0.000 . 1 . . . . A 10 GLU HG2 . 34748 1 128 . 1 . 1 12 12 GLU HG3 H 1 2.232 0.001 . 1 . . . . A 10 GLU HG3 . 34748 1 129 . 1 . 1 12 12 GLU C C 13 176.916 0.003 . 1 . . . . A 10 GLU C . 34748 1 130 . 1 . 1 12 12 GLU CA C 13 57.574 0.037 . 1 . . . . A 10 GLU CA . 34748 1 131 . 1 . 1 12 12 GLU CB C 13 29.566 0.010 . 1 . . . . A 10 GLU CB . 34748 1 132 . 1 . 1 12 12 GLU CG C 13 36.345 0.000 . 1 . . . . A 10 GLU CG . 34748 1 133 . 1 . 1 12 12 GLU N N 15 123.452 0.037 . 1 . . . . A 10 GLU N . 34748 1 134 . 1 . 1 13 13 LYS H H 1 8.428 0.004 . 1 . . . . A 11 LYS H . 34748 1 135 . 1 . 1 13 13 LYS HA H 1 4.296 0.002 . 1 . . . . A 11 LYS HA . 34748 1 136 . 1 . 1 13 13 LYS HB2 H 1 1.886 0.004 . 1 . . . . A 11 LYS HB2 . 34748 1 137 . 1 . 1 13 13 LYS HB3 H 1 1.886 0.004 . 1 . . . . A 11 LYS HB3 . 34748 1 138 . 1 . 1 13 13 LYS HG2 H 1 1.535 0.003 . 2 . . . . A 11 LYS HG2 . 34748 1 139 . 1 . 1 13 13 LYS HG3 H 1 1.428 0.003 . 2 . . . . A 11 LYS HG3 . 34748 1 140 . 1 . 1 13 13 LYS HD2 H 1 1.694 0.001 . 1 . . . . A 11 LYS HD2 . 34748 1 141 . 1 . 1 13 13 LYS HD3 H 1 1.694 0.001 . 1 . . . . A 11 LYS HD3 . 34748 1 142 . 1 . 1 13 13 LYS HE2 H 1 3.000 0.002 . 1 . . . . A 11 LYS HE2 . 34748 1 143 . 1 . 1 13 13 LYS HE3 H 1 3.000 0.002 . 1 . . . . A 11 LYS HE3 . 34748 1 144 . 1 . 1 13 13 LYS C C 13 178.183 0.026 . 1 . . . . A 11 LYS C . 34748 1 145 . 1 . 1 13 13 LYS CA C 13 57.591 0.035 . 1 . . . . A 11 LYS CA . 34748 1 146 . 1 . 1 13 13 LYS CB C 13 32.638 0.015 . 1 . . . . A 11 LYS CB . 34748 1 147 . 1 . 1 13 13 LYS CG C 13 25.443 0.019 . 1 . . . . A 11 LYS CG . 34748 1 148 . 1 . 1 13 13 LYS CD C 13 29.015 0.000 . 1 . . . . A 11 LYS CD . 34748 1 149 . 1 . 1 13 13 LYS CE C 13 42.204 0.012 . 1 . . . . A 11 LYS CE . 34748 1 150 . 1 . 1 13 13 LYS N N 15 118.008 0.017 . 1 . . . . A 11 LYS N . 34748 1 151 . 1 . 1 14 14 THR H H 1 7.697 0.005 . 1 . . . . A 12 THR H . 34748 1 152 . 1 . 1 14 14 THR HA H 1 4.336 0.011 . 1 . . . . A 12 THR HA . 34748 1 153 . 1 . 1 14 14 THR HB H 1 4.246 0.002 . 1 . . . . A 12 THR HB . 34748 1 154 . 1 . 1 14 14 THR HG21 H 1 1.109 0.001 . 1 . . . . A 12 THR HG21 . 34748 1 155 . 1 . 1 14 14 THR HG22 H 1 1.109 0.001 . 1 . . . . A 12 THR HG22 . 34748 1 156 . 1 . 1 14 14 THR HG23 H 1 1.109 0.001 . 1 . . . . A 12 THR HG23 . 34748 1 157 . 1 . 1 14 14 THR C C 13 174.637 0.008 . 1 . . . . A 12 THR C . 34748 1 158 . 1 . 1 14 14 THR CA C 13 62.328 0.022 . 1 . . . . A 12 THR CA . 34748 1 159 . 1 . 1 14 14 THR CB C 13 70.009 0.038 . 1 . . . . A 12 THR CB . 34748 1 160 . 1 . 1 14 14 THR CG2 C 13 21.230 0.019 . 1 . . . . A 12 THR CG2 . 34748 1 161 . 1 . 1 14 14 THR N N 15 107.475 0.045 . 1 . . . . A 12 THR N . 34748 1 162 . 1 . 1 15 15 HIS H H 1 8.246 0.003 . 1 . . . . A 13 HIS H . 34748 1 163 . 1 . 1 15 15 HIS HA H 1 5.365 0.002 . 1 . . . . A 13 HIS HA . 34748 1 164 . 1 . 1 15 15 HIS HB2 H 1 2.727 0.005 . 2 . . . . A 13 HIS HB2 . 34748 1 165 . 1 . 1 15 15 HIS HB3 H 1 2.831 0.007 . 2 . . . . A 13 HIS HB3 . 34748 1 166 . 1 . 1 15 15 HIS HD2 H 1 6.624 0.003 . 1 . . . . A 13 HIS HD2 . 34748 1 167 . 1 . 1 15 15 HIS HE1 H 1 7.727 0.002 . 1 . . . . A 13 HIS HE1 . 34748 1 168 . 1 . 1 15 15 HIS C C 13 173.530 0.011 . 1 . . . . A 13 HIS C . 34748 1 169 . 1 . 1 15 15 HIS CA C 13 56.498 0.035 . 1 . . . . A 13 HIS CA . 34748 1 170 . 1 . 1 15 15 HIS CB C 13 34.875 0.053 . 1 . . . . A 13 HIS CB . 34748 1 171 . 1 . 1 15 15 HIS CD2 C 13 118.142 0.015 . 1 . . . . A 13 HIS CD2 . 34748 1 172 . 1 . 1 15 15 HIS CE1 C 13 139.160 0.045 . 1 . . . . A 13 HIS CE1 . 34748 1 173 . 1 . 1 15 15 HIS N N 15 122.232 0.022 . 1 . . . . A 13 HIS N . 34748 1 174 . 1 . 1 16 16 VAL H H 1 8.953 0.006 . 1 . . . . A 14 VAL H . 34748 1 175 . 1 . 1 16 16 VAL HA H 1 4.539 0.005 . 1 . . . . A 14 VAL HA . 34748 1 176 . 1 . 1 16 16 VAL HB H 1 1.904 0.002 . 1 . . . . A 14 VAL HB . 34748 1 177 . 1 . 1 16 16 VAL HG11 H 1 0.868 0.002 . 1 . . . . A 14 VAL HG11 . 34748 1 178 . 1 . 1 16 16 VAL HG12 H 1 0.868 0.002 . 1 . . . . A 14 VAL HG12 . 34748 1 179 . 1 . 1 16 16 VAL HG13 H 1 0.868 0.002 . 1 . . . . A 14 VAL HG13 . 34748 1 180 . 1 . 1 16 16 VAL HG21 H 1 0.889 0.002 . 1 . . . . A 14 VAL HG21 . 34748 1 181 . 1 . 1 16 16 VAL HG22 H 1 0.889 0.002 . 1 . . . . A 14 VAL HG22 . 34748 1 182 . 1 . 1 16 16 VAL HG23 H 1 0.889 0.002 . 1 . . . . A 14 VAL HG23 . 34748 1 183 . 1 . 1 16 16 VAL C C 13 173.753 0.004 . 1 . . . . A 14 VAL C . 34748 1 184 . 1 . 1 16 16 VAL CA C 13 59.843 0.041 . 1 . . . . A 14 VAL CA . 34748 1 185 . 1 . 1 16 16 VAL CB C 13 35.146 0.027 . 1 . . . . A 14 VAL CB . 34748 1 186 . 1 . 1 16 16 VAL CG1 C 13 20.650 0.008 . 1 . . . . A 14 VAL CG1 . 34748 1 187 . 1 . 1 16 16 VAL CG2 C 13 20.774 0.021 . 1 . . . . A 14 VAL CG2 . 34748 1 188 . 1 . 1 16 16 VAL N N 15 117.161 0.021 . 1 . . . . A 14 VAL N . 34748 1 189 . 1 . 1 17 17 GLN H H 1 8.611 0.002 . 1 . . . . A 15 GLN H . 34748 1 190 . 1 . 1 17 17 GLN HA H 1 4.791 0.006 . 1 . . . . A 15 GLN HA . 34748 1 191 . 1 . 1 17 17 GLN HB2 H 1 1.610 0.004 . 2 . . . . A 15 GLN HB2 . 34748 1 192 . 1 . 1 17 17 GLN HB3 H 1 1.772 0.003 . 2 . . . . A 15 GLN HB3 . 34748 1 193 . 1 . 1 17 17 GLN HG2 H 1 1.784 0.003 . 2 . . . . A 15 GLN HG2 . 34748 1 194 . 1 . 1 17 17 GLN HG3 H 1 1.897 0.003 . 2 . . . . A 15 GLN HG3 . 34748 1 195 . 1 . 1 17 17 GLN HE21 H 1 6.775 0.002 . 1 . . . . A 15 GLN HE21 . 34748 1 196 . 1 . 1 17 17 GLN HE22 H 1 7.033 0.005 . 1 . . . . A 15 GLN HE22 . 34748 1 197 . 1 . 1 17 17 GLN C C 13 174.860 0.016 . 1 . . . . A 15 GLN C . 34748 1 198 . 1 . 1 17 17 GLN CA C 13 55.215 0.051 . 1 . . . . A 15 GLN CA . 34748 1 199 . 1 . 1 17 17 GLN CB C 13 30.129 0.028 . 1 . . . . A 15 GLN CB . 34748 1 200 . 1 . 1 17 17 GLN CG C 13 34.311 0.044 . 1 . . . . A 15 GLN CG . 34748 1 201 . 1 . 1 17 17 GLN CD C 13 179.473 0.014 . 1 . . . . A 15 GLN CD . 34748 1 202 . 1 . 1 17 17 GLN N N 15 125.951 0.020 . 1 . . . . A 15 GLN N . 34748 1 203 . 1 . 1 17 17 GLN NE2 N 15 110.900 0.016 . 1 . . . . A 15 GLN NE2 . 34748 1 204 . 1 . 1 18 18 LEU H H 1 8.949 0.002 . 1 . . . . A 16 LEU H . 34748 1 205 . 1 . 1 18 18 LEU HA H 1 4.852 0.002 . 1 . . . . A 16 LEU HA . 34748 1 206 . 1 . 1 18 18 LEU HB2 H 1 1.542 0.002 . 2 . . . . A 16 LEU HB2 . 34748 1 207 . 1 . 1 18 18 LEU HB3 H 1 1.485 0.002 . 2 . . . . A 16 LEU HB3 . 34748 1 208 . 1 . 1 18 18 LEU HG H 1 1.535 0.002 . 1 . . . . A 16 LEU HG . 34748 1 209 . 1 . 1 18 18 LEU HD11 H 1 0.837 0.002 . 1 . . . . A 16 LEU HD11 . 34748 1 210 . 1 . 1 18 18 LEU HD12 H 1 0.837 0.002 . 1 . . . . A 16 LEU HD12 . 34748 1 211 . 1 . 1 18 18 LEU HD13 H 1 0.837 0.002 . 1 . . . . A 16 LEU HD13 . 34748 1 212 . 1 . 1 18 18 LEU HD21 H 1 0.936 0.002 . 1 . . . . A 16 LEU HD21 . 34748 1 213 . 1 . 1 18 18 LEU HD22 H 1 0.936 0.002 . 1 . . . . A 16 LEU HD22 . 34748 1 214 . 1 . 1 18 18 LEU HD23 H 1 0.936 0.002 . 1 . . . . A 16 LEU HD23 . 34748 1 215 . 1 . 1 18 18 LEU C C 13 175.657 0.004 . 1 . . . . A 16 LEU C . 34748 1 216 . 1 . 1 18 18 LEU CA C 13 53.826 0.020 . 1 . . . . A 16 LEU CA . 34748 1 217 . 1 . 1 18 18 LEU CB C 13 45.837 0.034 . 1 . . . . A 16 LEU CB . 34748 1 218 . 1 . 1 18 18 LEU CG C 13 26.714 0.038 . 1 . . . . A 16 LEU CG . 34748 1 219 . 1 . 1 18 18 LEU CD1 C 13 27.351 0.028 . 1 . . . . A 16 LEU CD1 . 34748 1 220 . 1 . 1 18 18 LEU CD2 C 13 23.956 0.017 . 1 . . . . A 16 LEU CD2 . 34748 1 221 . 1 . 1 18 18 LEU N N 15 125.568 0.024 . 1 . . . . A 16 LEU N . 34748 1 222 . 1 . 1 19 19 SER H H 1 8.625 0.002 . 1 . . . . A 17 SER H . 34748 1 223 . 1 . 1 19 19 SER HA H 1 5.044 0.003 . 1 . . . . A 17 SER HA . 34748 1 224 . 1 . 1 19 19 SER HB2 H 1 3.646 0.002 . 2 . . . . A 17 SER HB2 . 34748 1 225 . 1 . 1 19 19 SER HB3 H 1 3.701 0.003 . 2 . . . . A 17 SER HB3 . 34748 1 226 . 1 . 1 19 19 SER C C 13 174.219 0.000 . 1 . . . . A 17 SER C . 34748 1 227 . 1 . 1 19 19 SER CA C 13 56.571 0.054 . 1 . . . . A 17 SER CA . 34748 1 228 . 1 . 1 19 19 SER CB C 13 63.374 0.017 . 1 . . . . A 17 SER CB . 34748 1 229 . 1 . 1 19 19 SER N N 15 117.045 0.012 . 1 . . . . A 17 SER N . 34748 1 230 . 1 . 1 20 20 LEU H H 1 9.180 0.003 . 1 . . . . A 18 LEU H . 34748 1 231 . 1 . 1 20 20 LEU HA H 1 5.014 0.003 . 1 . . . . A 18 LEU HA . 34748 1 232 . 1 . 1 20 20 LEU HB2 H 1 1.161 0.003 . 2 . . . . A 18 LEU HB2 . 34748 1 233 . 1 . 1 20 20 LEU HB3 H 1 1.731 0.005 . 2 . . . . A 18 LEU HB3 . 34748 1 234 . 1 . 1 20 20 LEU HG H 1 1.607 0.001 . 1 . . . . A 18 LEU HG . 34748 1 235 . 1 . 1 20 20 LEU HD11 H 1 0.707 0.001 . 1 . . . . A 18 LEU HD11 . 34748 1 236 . 1 . 1 20 20 LEU HD12 H 1 0.707 0.001 . 1 . . . . A 18 LEU HD12 . 34748 1 237 . 1 . 1 20 20 LEU HD13 H 1 0.707 0.001 . 1 . . . . A 18 LEU HD13 . 34748 1 238 . 1 . 1 20 20 LEU HD21 H 1 0.822 0.001 . 1 . . . . A 18 LEU HD21 . 34748 1 239 . 1 . 1 20 20 LEU HD22 H 1 0.822 0.001 . 1 . . . . A 18 LEU HD22 . 34748 1 240 . 1 . 1 20 20 LEU HD23 H 1 0.822 0.001 . 1 . . . . A 18 LEU HD23 . 34748 1 241 . 1 . 1 20 20 LEU C C 13 173.966 0.000 . 1 . . . . A 18 LEU C . 34748 1 242 . 1 . 1 20 20 LEU CA C 13 51.466 0.016 . 1 . . . . A 18 LEU CA . 34748 1 243 . 1 . 1 20 20 LEU CB C 13 43.736 0.020 . 1 . . . . A 18 LEU CB . 34748 1 244 . 1 . 1 20 20 LEU CG C 13 26.855 0.000 . 1 . . . . A 18 LEU CG . 34748 1 245 . 1 . 1 20 20 LEU CD1 C 13 26.667 0.001 . 1 . . . . A 18 LEU CD1 . 34748 1 246 . 1 . 1 20 20 LEU CD2 C 13 24.372 0.025 . 1 . . . . A 18 LEU CD2 . 34748 1 247 . 1 . 1 20 20 LEU N N 15 126.866 0.034 . 1 . . . . A 18 LEU N . 34748 1 248 . 1 . 1 21 21 PRO HA H 1 4.028 0.004 . 1 . . . . A 19 PRO HA . 34748 1 249 . 1 . 1 21 21 PRO HB2 H 1 1.190 0.003 . 2 . . . . A 19 PRO HB2 . 34748 1 250 . 1 . 1 21 21 PRO HB3 H 1 1.746 0.002 . 2 . . . . A 19 PRO HB3 . 34748 1 251 . 1 . 1 21 21 PRO HG2 H 1 1.950 0.002 . 2 . . . . A 19 PRO HG2 . 34748 1 252 . 1 . 1 21 21 PRO HG3 H 1 2.007 0.002 . 2 . . . . A 19 PRO HG3 . 34748 1 253 . 1 . 1 21 21 PRO HD2 H 1 4.079 0.002 . 2 . . . . A 19 PRO HD2 . 34748 1 254 . 1 . 1 21 21 PRO HD3 H 1 4.335 0.001 . 2 . . . . A 19 PRO HD3 . 34748 1 255 . 1 . 1 21 21 PRO C C 13 174.363 0.000 . 1 . . . . A 19 PRO C . 34748 1 256 . 1 . 1 21 21 PRO CA C 13 62.171 0.040 . 1 . . . . A 19 PRO CA . 34748 1 257 . 1 . 1 21 21 PRO CB C 13 32.027 0.027 . 1 . . . . A 19 PRO CB . 34748 1 258 . 1 . 1 21 21 PRO CG C 13 26.824 0.011 . 1 . . . . A 19 PRO CG . 34748 1 259 . 1 . 1 21 21 PRO CD C 13 50.639 0.009 . 1 . . . . A 19 PRO CD . 34748 1 260 . 1 . 1 22 22 VAL H H 1 8.428 0.003 . 1 . . . . A 20 VAL H . 34748 1 261 . 1 . 1 22 22 VAL HA H 1 4.682 0.002 . 1 . . . . A 20 VAL HA . 34748 1 262 . 1 . 1 22 22 VAL HB H 1 1.521 0.002 . 1 . . . . A 20 VAL HB . 34748 1 263 . 1 . 1 22 22 VAL HG11 H 1 0.765 0.001 . 1 . . . . A 20 VAL HG11 . 34748 1 264 . 1 . 1 22 22 VAL HG12 H 1 0.765 0.001 . 1 . . . . A 20 VAL HG12 . 34748 1 265 . 1 . 1 22 22 VAL HG13 H 1 0.765 0.001 . 1 . . . . A 20 VAL HG13 . 34748 1 266 . 1 . 1 22 22 VAL HG21 H 1 0.667 0.001 . 1 . . . . A 20 VAL HG21 . 34748 1 267 . 1 . 1 22 22 VAL HG22 H 1 0.667 0.001 . 1 . . . . A 20 VAL HG22 . 34748 1 268 . 1 . 1 22 22 VAL HG23 H 1 0.667 0.001 . 1 . . . . A 20 VAL HG23 . 34748 1 269 . 1 . 1 22 22 VAL C C 13 174.966 0.004 . 1 . . . . A 20 VAL C . 34748 1 270 . 1 . 1 22 22 VAL CA C 13 61.048 0.029 . 1 . . . . A 20 VAL CA . 34748 1 271 . 1 . 1 22 22 VAL CB C 13 31.625 0.026 . 1 . . . . A 20 VAL CB . 34748 1 272 . 1 . 1 22 22 VAL CG1 C 13 21.233 0.036 . 1 . . . . A 20 VAL CG1 . 34748 1 273 . 1 . 1 22 22 VAL CG2 C 13 21.546 0.020 . 1 . . . . A 20 VAL CG2 . 34748 1 274 . 1 . 1 22 22 VAL N N 15 124.884 0.012 . 1 . . . . A 20 VAL N . 34748 1 275 . 1 . 1 23 23 LEU H H 1 8.871 0.003 . 1 . . . . A 21 LEU H . 34748 1 276 . 1 . 1 23 23 LEU HA H 1 4.657 0.003 . 1 . . . . A 21 LEU HA . 34748 1 277 . 1 . 1 23 23 LEU HB2 H 1 1.195 0.004 . 1 . . . . A 21 LEU HB2 . 34748 1 278 . 1 . 1 23 23 LEU HB3 H 1 1.195 0.004 . 1 . . . . A 21 LEU HB3 . 34748 1 279 . 1 . 1 23 23 LEU HG H 1 1.396 0.003 . 1 . . . . A 21 LEU HG . 34748 1 280 . 1 . 1 23 23 LEU HD11 H 1 0.612 0.002 . 1 . . . . A 21 LEU HD11 . 34748 1 281 . 1 . 1 23 23 LEU HD12 H 1 0.612 0.002 . 1 . . . . A 21 LEU HD12 . 34748 1 282 . 1 . 1 23 23 LEU HD13 H 1 0.612 0.002 . 1 . . . . A 21 LEU HD13 . 34748 1 283 . 1 . 1 23 23 LEU HD21 H 1 0.292 0.002 . 1 . . . . A 21 LEU HD21 . 34748 1 284 . 1 . 1 23 23 LEU HD22 H 1 0.292 0.002 . 1 . . . . A 21 LEU HD22 . 34748 1 285 . 1 . 1 23 23 LEU HD23 H 1 0.292 0.002 . 1 . . . . A 21 LEU HD23 . 34748 1 286 . 1 . 1 23 23 LEU C C 13 176.679 0.010 . 1 . . . . A 21 LEU C . 34748 1 287 . 1 . 1 23 23 LEU CA C 13 51.820 0.047 . 1 . . . . A 21 LEU CA . 34748 1 288 . 1 . 1 23 23 LEU CB C 13 43.022 0.025 . 1 . . . . A 21 LEU CB . 34748 1 289 . 1 . 1 23 23 LEU CG C 13 27.323 0.043 . 1 . . . . A 21 LEU CG . 34748 1 290 . 1 . 1 23 23 LEU CD1 C 13 25.479 0.016 . 1 . . . . A 21 LEU CD1 . 34748 1 291 . 1 . 1 23 23 LEU CD2 C 13 21.970 0.022 . 1 . . . . A 21 LEU CD2 . 34748 1 292 . 1 . 1 23 23 LEU N N 15 126.070 0.010 . 1 . . . . A 21 LEU N . 34748 1 293 . 1 . 1 24 24 GLN H H 1 9.117 0.002 . 1 . . . . A 22 GLN H . 34748 1 294 . 1 . 1 24 24 GLN HA H 1 4.433 0.002 . 1 . . . . A 22 GLN HA . 34748 1 295 . 1 . 1 24 24 GLN HB2 H 1 1.961 0.006 . 2 . . . . A 22 GLN HB2 . 34748 1 296 . 1 . 1 24 24 GLN HB3 H 1 2.124 0.004 . 2 . . . . A 22 GLN HB3 . 34748 1 297 . 1 . 1 24 24 GLN HG2 H 1 2.221 0.002 . 2 . . . . A 22 GLN HG2 . 34748 1 298 . 1 . 1 24 24 GLN HG3 H 1 2.485 0.001 . 2 . . . . A 22 GLN HG3 . 34748 1 299 . 1 . 1 24 24 GLN HE21 H 1 6.885 0.002 . 1 . . . . A 22 GLN HE21 . 34748 1 300 . 1 . 1 24 24 GLN HE22 H 1 7.633 0.002 . 1 . . . . A 22 GLN HE22 . 34748 1 301 . 1 . 1 24 24 GLN C C 13 178.529 0.004 . 1 . . . . A 22 GLN C . 34748 1 302 . 1 . 1 24 24 GLN CA C 13 55.356 0.037 . 1 . . . . A 22 GLN CA . 34748 1 303 . 1 . 1 24 24 GLN CB C 13 29.076 0.022 . 1 . . . . A 22 GLN CB . 34748 1 304 . 1 . 1 24 24 GLN CG C 13 35.162 0.028 . 1 . . . . A 22 GLN CG . 34748 1 305 . 1 . 1 24 24 GLN CD C 13 180.501 0.013 . 1 . . . . A 22 GLN CD . 34748 1 306 . 1 . 1 24 24 GLN N N 15 121.066 0.012 . 1 . . . . A 22 GLN N . 34748 1 307 . 1 . 1 24 24 GLN NE2 N 15 112.411 0.014 . 1 . . . . A 22 GLN NE2 . 34748 1 308 . 1 . 1 25 25 VAL H H 1 9.080 0.003 . 1 . . . . A 23 VAL H . 34748 1 309 . 1 . 1 25 25 VAL HA H 1 3.715 0.003 . 1 . . . . A 23 VAL HA . 34748 1 310 . 1 . 1 25 25 VAL HB H 1 2.114 0.001 . 1 . . . . A 23 VAL HB . 34748 1 311 . 1 . 1 25 25 VAL HG11 H 1 1.001 0.001 . 1 . . . . A 23 VAL HG11 . 34748 1 312 . 1 . 1 25 25 VAL HG12 H 1 1.001 0.001 . 1 . . . . A 23 VAL HG12 . 34748 1 313 . 1 . 1 25 25 VAL HG13 H 1 1.001 0.001 . 1 . . . . A 23 VAL HG13 . 34748 1 314 . 1 . 1 25 25 VAL HG21 H 1 0.936 0.003 . 1 . . . . A 23 VAL HG21 . 34748 1 315 . 1 . 1 25 25 VAL HG22 H 1 0.936 0.003 . 1 . . . . A 23 VAL HG22 . 34748 1 316 . 1 . 1 25 25 VAL HG23 H 1 0.936 0.003 . 1 . . . . A 23 VAL HG23 . 34748 1 317 . 1 . 1 25 25 VAL C C 13 175.937 0.008 . 1 . . . . A 23 VAL C . 34748 1 318 . 1 . 1 25 25 VAL CA C 13 65.752 0.050 . 1 . . . . A 23 VAL CA . 34748 1 319 . 1 . 1 25 25 VAL CB C 13 31.072 0.021 . 1 . . . . A 23 VAL CB . 34748 1 320 . 1 . 1 25 25 VAL CG1 C 13 19.561 0.017 . 1 . . . . A 23 VAL CG1 . 34748 1 321 . 1 . 1 25 25 VAL CG2 C 13 23.038 0.043 . 1 . . . . A 23 VAL CG2 . 34748 1 322 . 1 . 1 25 25 VAL N N 15 125.792 0.021 . 1 . . . . A 23 VAL N . 34748 1 323 . 1 . 1 26 26 ARG H H 1 8.081 0.001 . 1 . . . . A 24 ARG H . 34748 1 324 . 1 . 1 26 26 ARG HA H 1 4.167 0.002 . 1 . . . . A 24 ARG HA . 34748 1 325 . 1 . 1 26 26 ARG HB2 H 1 1.782 0.002 . 2 . . . . A 24 ARG HB2 . 34748 1 326 . 1 . 1 26 26 ARG HB3 H 1 1.841 0.002 . 2 . . . . A 24 ARG HB3 . 34748 1 327 . 1 . 1 26 26 ARG HG2 H 1 1.590 0.001 . 2 . . . . A 24 ARG HG2 . 34748 1 328 . 1 . 1 26 26 ARG HG3 H 1 1.656 0.001 . 2 . . . . A 24 ARG HG3 . 34748 1 329 . 1 . 1 26 26 ARG HD2 H 1 3.175 0.001 . 1 . . . . A 24 ARG HD2 . 34748 1 330 . 1 . 1 26 26 ARG HD3 H 1 3.175 0.001 . 1 . . . . A 24 ARG HD3 . 34748 1 331 . 1 . 1 26 26 ARG C C 13 176.805 0.003 . 1 . . . . A 24 ARG C . 34748 1 332 . 1 . 1 26 26 ARG CA C 13 57.959 0.047 . 1 . . . . A 24 ARG CA . 34748 1 333 . 1 . 1 26 26 ARG CB C 13 29.686 0.022 . 1 . . . . A 24 ARG CB . 34748 1 334 . 1 . 1 26 26 ARG CG C 13 27.064 0.006 . 1 . . . . A 24 ARG CG . 34748 1 335 . 1 . 1 26 26 ARG CD C 13 43.473 0.010 . 1 . . . . A 24 ARG CD . 34748 1 336 . 1 . 1 26 26 ARG N N 15 117.759 0.013 . 1 . . . . A 24 ARG N . 34748 1 337 . 1 . 1 27 27 ASP H H 1 7.682 0.002 . 1 . . . . A 25 ASP H . 34748 1 338 . 1 . 1 27 27 ASP HA H 1 4.526 0.003 . 1 . . . . A 25 ASP HA . 34748 1 339 . 1 . 1 27 27 ASP HB2 H 1 2.755 0.001 . 2 . . . . A 25 ASP HB2 . 34748 1 340 . 1 . 1 27 27 ASP HB3 H 1 2.862 0.004 . 2 . . . . A 25 ASP HB3 . 34748 1 341 . 1 . 1 27 27 ASP C C 13 176.344 0.009 . 1 . . . . A 25 ASP C . 34748 1 342 . 1 . 1 27 27 ASP CA C 13 54.742 0.047 . 1 . . . . A 25 ASP CA . 34748 1 343 . 1 . 1 27 27 ASP CB C 13 42.082 0.021 . 1 . . . . A 25 ASP CB . 34748 1 344 . 1 . 1 27 27 ASP N N 15 117.070 0.011 . 1 . . . . A 25 ASP N . 34748 1 345 . 1 . 1 28 28 VAL H H 1 6.874 0.002 . 1 . . . . A 26 VAL H . 34748 1 346 . 1 . 1 28 28 VAL HA H 1 3.900 0.004 . 1 . . . . A 26 VAL HA . 34748 1 347 . 1 . 1 28 28 VAL HB H 1 1.853 0.004 . 1 . . . . A 26 VAL HB . 34748 1 348 . 1 . 1 28 28 VAL HG11 H 1 0.707 0.002 . 1 . . . . A 26 VAL HG11 . 34748 1 349 . 1 . 1 28 28 VAL HG12 H 1 0.707 0.002 . 1 . . . . A 26 VAL HG12 . 34748 1 350 . 1 . 1 28 28 VAL HG13 H 1 0.707 0.002 . 1 . . . . A 26 VAL HG13 . 34748 1 351 . 1 . 1 28 28 VAL HG21 H 1 0.855 0.001 . 1 . . . . A 26 VAL HG21 . 34748 1 352 . 1 . 1 28 28 VAL HG22 H 1 0.855 0.001 . 1 . . . . A 26 VAL HG22 . 34748 1 353 . 1 . 1 28 28 VAL HG23 H 1 0.855 0.001 . 1 . . . . A 26 VAL HG23 . 34748 1 354 . 1 . 1 28 28 VAL C C 13 177.221 0.001 . 1 . . . . A 26 VAL C . 34748 1 355 . 1 . 1 28 28 VAL CA C 13 64.041 0.023 . 1 . . . . A 26 VAL CA . 34748 1 356 . 1 . 1 28 28 VAL CB C 13 31.876 0.044 . 1 . . . . A 26 VAL CB . 34748 1 357 . 1 . 1 28 28 VAL CG1 C 13 23.402 0.016 . 1 . . . . A 26 VAL CG1 . 34748 1 358 . 1 . 1 28 28 VAL CG2 C 13 23.603 0.006 . 1 . . . . A 26 VAL CG2 . 34748 1 359 . 1 . 1 28 28 VAL N N 15 118.273 0.016 . 1 . . . . A 26 VAL N . 34748 1 360 . 1 . 1 29 29 LEU H H 1 9.367 0.002 . 1 . . . . A 27 LEU H . 34748 1 361 . 1 . 1 29 29 LEU HA H 1 4.231 0.002 . 1 . . . . A 27 LEU HA . 34748 1 362 . 1 . 1 29 29 LEU HB2 H 1 1.477 0.003 . 2 . . . . A 27 LEU HB2 . 34748 1 363 . 1 . 1 29 29 LEU HB3 H 1 1.734 0.003 . 2 . . . . A 27 LEU HB3 . 34748 1 364 . 1 . 1 29 29 LEU HG H 1 1.776 0.002 . 1 . . . . A 27 LEU HG . 34748 1 365 . 1 . 1 29 29 LEU HD11 H 1 0.913 0.001 . 1 . . . . A 27 LEU HD11 . 34748 1 366 . 1 . 1 29 29 LEU HD12 H 1 0.913 0.001 . 1 . . . . A 27 LEU HD12 . 34748 1 367 . 1 . 1 29 29 LEU HD13 H 1 0.913 0.001 . 1 . . . . A 27 LEU HD13 . 34748 1 368 . 1 . 1 29 29 LEU HD21 H 1 0.867 0.002 . 1 . . . . A 27 LEU HD21 . 34748 1 369 . 1 . 1 29 29 LEU HD22 H 1 0.867 0.002 . 1 . . . . A 27 LEU HD22 . 34748 1 370 . 1 . 1 29 29 LEU HD23 H 1 0.867 0.002 . 1 . . . . A 27 LEU HD23 . 34748 1 371 . 1 . 1 29 29 LEU C C 13 177.866 0.000 . 1 . . . . A 27 LEU C . 34748 1 372 . 1 . 1 29 29 LEU CA C 13 57.276 0.037 . 1 . . . . A 27 LEU CA . 34748 1 373 . 1 . 1 29 29 LEU CB C 13 42.886 0.027 . 1 . . . . A 27 LEU CB . 34748 1 374 . 1 . 1 29 29 LEU CG C 13 27.073 0.010 . 1 . . . . A 27 LEU CG . 34748 1 375 . 1 . 1 29 29 LEU CD1 C 13 24.675 0.005 . 1 . . . . A 27 LEU CD1 . 34748 1 376 . 1 . 1 29 29 LEU CD2 C 13 23.669 0.009 . 1 . . . . A 27 LEU CD2 . 34748 1 377 . 1 . 1 29 29 LEU N N 15 131.796 0.011 . 1 . . . . A 27 LEU N . 34748 1 378 . 1 . 1 30 30 VAL H H 1 10.019 0.003 . 1 . . . . A 28 VAL H . 34748 1 379 . 1 . 1 30 30 VAL HA H 1 4.043 0.004 . 1 . . . . A 28 VAL HA . 34748 1 380 . 1 . 1 30 30 VAL HB H 1 1.956 0.004 . 1 . . . . A 28 VAL HB . 34748 1 381 . 1 . 1 30 30 VAL HG11 H 1 0.982 0.002 . 1 . . . . A 28 VAL HG11 . 34748 1 382 . 1 . 1 30 30 VAL HG12 H 1 0.982 0.002 . 1 . . . . A 28 VAL HG12 . 34748 1 383 . 1 . 1 30 30 VAL HG13 H 1 0.982 0.002 . 1 . . . . A 28 VAL HG13 . 34748 1 384 . 1 . 1 30 30 VAL HG21 H 1 0.834 0.002 . 1 . . . . A 28 VAL HG21 . 34748 1 385 . 1 . 1 30 30 VAL HG22 H 1 0.834 0.002 . 1 . . . . A 28 VAL HG22 . 34748 1 386 . 1 . 1 30 30 VAL HG23 H 1 0.834 0.002 . 1 . . . . A 28 VAL HG23 . 34748 1 387 . 1 . 1 30 30 VAL C C 13 174.873 0.003 . 1 . . . . A 28 VAL C . 34748 1 388 . 1 . 1 30 30 VAL CA C 13 62.783 0.059 . 1 . . . . A 28 VAL CA . 34748 1 389 . 1 . 1 30 30 VAL CB C 13 31.624 0.028 . 1 . . . . A 28 VAL CB . 34748 1 390 . 1 . 1 30 30 VAL CG1 C 13 22.619 0.009 . 1 . . . . A 28 VAL CG1 . 34748 1 391 . 1 . 1 30 30 VAL CG2 C 13 20.554 0.010 . 1 . . . . A 28 VAL CG2 . 34748 1 392 . 1 . 1 30 30 VAL N N 15 126.678 0.013 . 1 . . . . A 28 VAL N . 34748 1 393 . 1 . 1 31 31 ARG H H 1 8.041 0.002 . 1 . . . . A 29 ARG H . 34748 1 394 . 1 . 1 31 31 ARG HA H 1 3.917 0.002 . 1 . . . . A 29 ARG HA . 34748 1 395 . 1 . 1 31 31 ARG HB2 H 1 1.567 0.003 . 2 . . . . A 29 ARG HB2 . 34748 1 396 . 1 . 1 31 31 ARG HB3 H 1 2.194 0.001 . 2 . . . . A 29 ARG HB3 . 34748 1 397 . 1 . 1 31 31 ARG HG2 H 1 1.292 0.003 . 2 . . . . A 29 ARG HG2 . 34748 1 398 . 1 . 1 31 31 ARG HG3 H 1 1.571 0.005 . 2 . . . . A 29 ARG HG3 . 34748 1 399 . 1 . 1 31 31 ARG HD2 H 1 3.276 0.002 . 2 . . . . A 29 ARG HD2 . 34748 1 400 . 1 . 1 31 31 ARG HD3 H 1 3.391 0.001 . 2 . . . . A 29 ARG HD3 . 34748 1 401 . 1 . 1 31 31 ARG HE H 1 7.202 0.001 . 1 . . . . A 29 ARG HE . 34748 1 402 . 1 . 1 31 31 ARG C C 13 175.282 0.004 . 1 . . . . A 29 ARG C . 34748 1 403 . 1 . 1 31 31 ARG CA C 13 57.110 0.028 . 1 . . . . A 29 ARG CA . 34748 1 404 . 1 . 1 31 31 ARG CB C 13 29.924 0.015 . 1 . . . . A 29 ARG CB . 34748 1 405 . 1 . 1 31 31 ARG CG C 13 29.496 0.019 . 1 . . . . A 29 ARG CG . 34748 1 406 . 1 . 1 31 31 ARG CD C 13 43.115 0.014 . 1 . . . . A 29 ARG CD . 34748 1 407 . 1 . 1 31 31 ARG N N 15 119.765 0.022 . 1 . . . . A 29 ARG N . 34748 1 408 . 1 . 1 31 31 ARG NE N 15 86.025 0.009 . 1 . . . . A 29 ARG NE . 34748 1 409 . 1 . 1 32 32 GLY H H 1 7.233 0.002 . 1 . . . . A 30 GLY H . 34748 1 410 . 1 . 1 32 32 GLY HA2 H 1 4.360 0.005 . 2 . . . . A 30 GLY HA2 . 34748 1 411 . 1 . 1 32 32 GLY HA3 H 1 3.799 0.003 . 2 . . . . A 30 GLY HA3 . 34748 1 412 . 1 . 1 32 32 GLY C C 13 172.079 0.002 . 1 . . . . A 30 GLY C . 34748 1 413 . 1 . 1 32 32 GLY CA C 13 45.303 0.023 . 1 . . . . A 30 GLY CA . 34748 1 414 . 1 . 1 32 32 GLY N N 15 106.001 0.015 . 1 . . . . A 30 GLY N . 34748 1 415 . 1 . 1 33 33 PHE H H 1 9.685 0.002 . 1 . . . . A 31 PHE H . 34748 1 416 . 1 . 1 33 33 PHE HA H 1 4.559 0.002 . 1 . . . . A 31 PHE HA . 34748 1 417 . 1 . 1 33 33 PHE HB2 H 1 2.794 0.005 . 2 . . . . A 31 PHE HB2 . 34748 1 418 . 1 . 1 33 33 PHE HB3 H 1 3.407 0.005 . 2 . . . . A 31 PHE HB3 . 34748 1 419 . 1 . 1 33 33 PHE HD1 H 1 7.227 0.003 . 1 . . . . A 31 PHE HD1 . 34748 1 420 . 1 . 1 33 33 PHE HD2 H 1 7.227 0.003 . 1 . . . . A 31 PHE HD2 . 34748 1 421 . 1 . 1 33 33 PHE HE1 H 1 6.523 0.004 . 1 . . . . A 31 PHE HE1 . 34748 1 422 . 1 . 1 33 33 PHE HE2 H 1 6.523 0.004 . 1 . . . . A 31 PHE HE2 . 34748 1 423 . 1 . 1 33 33 PHE HZ H 1 6.950 0.003 . 1 . . . . A 31 PHE HZ . 34748 1 424 . 1 . 1 33 33 PHE C C 13 175.521 0.002 . 1 . . . . A 31 PHE C . 34748 1 425 . 1 . 1 33 33 PHE CA C 13 59.477 0.023 . 1 . . . . A 31 PHE CA . 34748 1 426 . 1 . 1 33 33 PHE CB C 13 41.046 0.057 . 1 . . . . A 31 PHE CB . 34748 1 427 . 1 . 1 33 33 PHE CD1 C 13 131.747 0.058 . 1 . . . . A 31 PHE CD1 . 34748 1 428 . 1 . 1 33 33 PHE CD2 C 13 131.747 0.058 . 1 . . . . A 31 PHE CD2 . 34748 1 429 . 1 . 1 33 33 PHE CE1 C 13 130.692 0.030 . 1 . . . . A 31 PHE CE1 . 34748 1 430 . 1 . 1 33 33 PHE CE2 C 13 130.692 0.030 . 1 . . . . A 31 PHE CE2 . 34748 1 431 . 1 . 1 33 33 PHE CZ C 13 128.053 0.059 . 1 . . . . A 31 PHE CZ . 34748 1 432 . 1 . 1 33 33 PHE N N 15 115.618 0.010 . 1 . . . . A 31 PHE N . 34748 1 433 . 1 . 1 34 34 GLY H H 1 7.493 0.002 . 1 . . . . A 32 GLY H . 34748 1 434 . 1 . 1 34 34 GLY HA2 H 1 3.829 0.003 . 2 . . . . A 32 GLY HA2 . 34748 1 435 . 1 . 1 34 34 GLY HA3 H 1 4.187 0.004 . 2 . . . . A 32 GLY HA3 . 34748 1 436 . 1 . 1 34 34 GLY C C 13 172.516 0.001 . 1 . . . . A 32 GLY C . 34748 1 437 . 1 . 1 34 34 GLY CA C 13 45.648 0.018 . 1 . . . . A 32 GLY CA . 34748 1 438 . 1 . 1 34 34 GLY N N 15 106.823 0.016 . 1 . . . . A 32 GLY N . 34748 1 439 . 1 . 1 35 35 ASP H H 1 8.443 0.002 . 1 . . . . A 33 ASP H . 34748 1 440 . 1 . 1 35 35 ASP HA H 1 4.912 0.003 . 1 . . . . A 33 ASP HA . 34748 1 441 . 1 . 1 35 35 ASP HB2 H 1 2.664 0.003 . 2 . . . . A 33 ASP HB2 . 34748 1 442 . 1 . 1 35 35 ASP HB3 H 1 2.754 0.002 . 2 . . . . A 33 ASP HB3 . 34748 1 443 . 1 . 1 35 35 ASP C C 13 175.686 0.015 . 1 . . . . A 33 ASP C . 34748 1 444 . 1 . 1 35 35 ASP CA C 13 55.096 0.038 . 1 . . . . A 33 ASP CA . 34748 1 445 . 1 . 1 35 35 ASP CB C 13 43.021 0.017 . 1 . . . . A 33 ASP CB . 34748 1 446 . 1 . 1 35 35 ASP N N 15 115.599 0.019 . 1 . . . . A 33 ASP N . 34748 1 447 . 1 . 1 36 36 SER H H 1 7.509 0.002 . 1 . . . . A 34 SER H . 34748 1 448 . 1 . 1 36 36 SER HA H 1 4.826 0.003 . 1 . . . . A 34 SER HA . 34748 1 449 . 1 . 1 36 36 SER HB2 H 1 3.919 0.003 . 2 . . . . A 34 SER HB2 . 34748 1 450 . 1 . 1 36 36 SER HB3 H 1 4.169 0.002 . 2 . . . . A 34 SER HB3 . 34748 1 451 . 1 . 1 36 36 SER C C 13 174.365 0.007 . 1 . . . . A 34 SER C . 34748 1 452 . 1 . 1 36 36 SER CA C 13 56.243 0.053 . 1 . . . . A 34 SER CA . 34748 1 453 . 1 . 1 36 36 SER CB C 13 66.133 0.022 . 1 . . . . A 34 SER CB . 34748 1 454 . 1 . 1 36 36 SER N N 15 112.154 0.007 . 1 . . . . A 34 SER N . 34748 1 455 . 1 . 1 37 37 VAL H H 1 9.125 0.002 . 1 . . . . A 35 VAL H . 34748 1 456 . 1 . 1 37 37 VAL HA H 1 3.446 0.003 . 1 . . . . A 35 VAL HA . 34748 1 457 . 1 . 1 37 37 VAL HB H 1 1.965 0.004 . 1 . . . . A 35 VAL HB . 34748 1 458 . 1 . 1 37 37 VAL HG11 H 1 0.820 0.002 . 1 . . . . A 35 VAL HG11 . 34748 1 459 . 1 . 1 37 37 VAL HG12 H 1 0.820 0.002 . 1 . . . . A 35 VAL HG12 . 34748 1 460 . 1 . 1 37 37 VAL HG13 H 1 0.820 0.002 . 1 . . . . A 35 VAL HG13 . 34748 1 461 . 1 . 1 37 37 VAL HG21 H 1 0.908 0.002 . 1 . . . . A 35 VAL HG21 . 34748 1 462 . 1 . 1 37 37 VAL HG22 H 1 0.908 0.002 . 1 . . . . A 35 VAL HG22 . 34748 1 463 . 1 . 1 37 37 VAL HG23 H 1 0.908 0.002 . 1 . . . . A 35 VAL HG23 . 34748 1 464 . 1 . 1 37 37 VAL C C 13 176.172 0.005 . 1 . . . . A 35 VAL C . 34748 1 465 . 1 . 1 37 37 VAL CA C 13 67.339 0.038 . 1 . . . . A 35 VAL CA . 34748 1 466 . 1 . 1 37 37 VAL CB C 13 31.526 0.029 . 1 . . . . A 35 VAL CB . 34748 1 467 . 1 . 1 37 37 VAL CG1 C 13 21.166 0.029 . 1 . . . . A 35 VAL CG1 . 34748 1 468 . 1 . 1 37 37 VAL CG2 C 13 22.670 0.041 . 1 . . . . A 35 VAL CG2 . 34748 1 469 . 1 . 1 37 37 VAL N N 15 123.985 0.018 . 1 . . . . A 35 VAL N . 34748 1 470 . 1 . 1 38 38 GLU H H 1 8.715 0.002 . 1 . . . . A 36 GLU H . 34748 1 471 . 1 . 1 38 38 GLU HA H 1 3.956 0.002 . 1 . . . . A 36 GLU HA . 34748 1 472 . 1 . 1 38 38 GLU HB2 H 1 1.957 0.001 . 2 . . . . A 36 GLU HB2 . 34748 1 473 . 1 . 1 38 38 GLU HB3 H 1 2.008 0.002 . 2 . . . . A 36 GLU HB3 . 34748 1 474 . 1 . 1 38 38 GLU HG2 H 1 2.292 0.001 . 2 . . . . A 36 GLU HG2 . 34748 1 475 . 1 . 1 38 38 GLU HG3 H 1 2.354 0.001 . 2 . . . . A 36 GLU HG3 . 34748 1 476 . 1 . 1 38 38 GLU C C 13 179.445 0.004 . 1 . . . . A 36 GLU C . 34748 1 477 . 1 . 1 38 38 GLU CA C 13 59.930 0.017 . 1 . . . . A 36 GLU CA . 34748 1 478 . 1 . 1 38 38 GLU CB C 13 29.098 0.027 . 1 . . . . A 36 GLU CB . 34748 1 479 . 1 . 1 38 38 GLU CG C 13 36.731 0.027 . 1 . . . . A 36 GLU CG . 34748 1 480 . 1 . 1 38 38 GLU N N 15 116.988 0.014 . 1 . . . . A 36 GLU N . 34748 1 481 . 1 . 1 39 39 GLU H H 1 7.541 0.002 . 1 . . . . A 37 GLU H . 34748 1 482 . 1 . 1 39 39 GLU HA H 1 4.178 0.003 . 1 . . . . A 37 GLU HA . 34748 1 483 . 1 . 1 39 39 GLU HB2 H 1 2.038 0.002 . 2 . . . . A 37 GLU HB2 . 34748 1 484 . 1 . 1 39 39 GLU HB3 H 1 2.112 0.003 . 2 . . . . A 37 GLU HB3 . 34748 1 485 . 1 . 1 39 39 GLU HG2 H 1 2.244 0.002 . 2 . . . . A 37 GLU HG2 . 34748 1 486 . 1 . 1 39 39 GLU HG3 H 1 2.361 0.001 . 2 . . . . A 37 GLU HG3 . 34748 1 487 . 1 . 1 39 39 GLU C C 13 178.691 0.008 . 1 . . . . A 37 GLU C . 34748 1 488 . 1 . 1 39 39 GLU CA C 13 59.005 0.045 . 1 . . . . A 37 GLU CA . 34748 1 489 . 1 . 1 39 39 GLU CB C 13 30.952 0.030 . 1 . . . . A 37 GLU CB . 34748 1 490 . 1 . 1 39 39 GLU CG C 13 36.704 0.015 . 1 . . . . A 37 GLU CG . 34748 1 491 . 1 . 1 39 39 GLU N N 15 119.104 0.011 . 1 . . . . A 37 GLU N . 34748 1 492 . 1 . 1 40 40 VAL H H 1 8.491 0.002 . 1 . . . . A 38 VAL H . 34748 1 493 . 1 . 1 40 40 VAL HA H 1 3.818 0.003 . 1 . . . . A 38 VAL HA . 34748 1 494 . 1 . 1 40 40 VAL HB H 1 2.315 0.003 . 1 . . . . A 38 VAL HB . 34748 1 495 . 1 . 1 40 40 VAL HG11 H 1 0.850 0.003 . 1 . . . . A 38 VAL HG11 . 34748 1 496 . 1 . 1 40 40 VAL HG12 H 1 0.850 0.003 . 1 . . . . A 38 VAL HG12 . 34748 1 497 . 1 . 1 40 40 VAL HG13 H 1 0.850 0.003 . 1 . . . . A 38 VAL HG13 . 34748 1 498 . 1 . 1 40 40 VAL HG21 H 1 0.947 0.002 . 1 . . . . A 38 VAL HG21 . 34748 1 499 . 1 . 1 40 40 VAL HG22 H 1 0.947 0.002 . 1 . . . . A 38 VAL HG22 . 34748 1 500 . 1 . 1 40 40 VAL HG23 H 1 0.947 0.002 . 1 . . . . A 38 VAL HG23 . 34748 1 501 . 1 . 1 40 40 VAL C C 13 177.991 0.004 . 1 . . . . A 38 VAL C . 34748 1 502 . 1 . 1 40 40 VAL CA C 13 65.697 0.036 . 1 . . . . A 38 VAL CA . 34748 1 503 . 1 . 1 40 40 VAL CB C 13 30.136 0.035 . 1 . . . . A 38 VAL CB . 34748 1 504 . 1 . 1 40 40 VAL CG1 C 13 22.109 0.016 . 1 . . . . A 38 VAL CG1 . 34748 1 505 . 1 . 1 40 40 VAL CG2 C 13 20.208 0.035 . 1 . . . . A 38 VAL CG2 . 34748 1 506 . 1 . 1 40 40 VAL N N 15 112.308 0.016 . 1 . . . . A 38 VAL N . 34748 1 507 . 1 . 1 41 41 LEU H H 1 7.578 0.002 . 1 . . . . A 39 LEU H . 34748 1 508 . 1 . 1 41 41 LEU HA H 1 3.896 0.002 . 1 . . . . A 39 LEU HA . 34748 1 509 . 1 . 1 41 41 LEU HB2 H 1 1.365 0.006 . 2 . . . . A 39 LEU HB2 . 34748 1 510 . 1 . 1 41 41 LEU HB3 H 1 1.793 0.004 . 2 . . . . A 39 LEU HB3 . 34748 1 511 . 1 . 1 41 41 LEU HG H 1 1.650 0.004 . 1 . . . . A 39 LEU HG . 34748 1 512 . 1 . 1 41 41 LEU HD11 H 1 0.853 0.002 . 1 . . . . A 39 LEU HD11 . 34748 1 513 . 1 . 1 41 41 LEU HD12 H 1 0.853 0.002 . 1 . . . . A 39 LEU HD12 . 34748 1 514 . 1 . 1 41 41 LEU HD13 H 1 0.853 0.002 . 1 . . . . A 39 LEU HD13 . 34748 1 515 . 1 . 1 41 41 LEU HD21 H 1 0.746 0.002 . 1 . . . . A 39 LEU HD21 . 34748 1 516 . 1 . 1 41 41 LEU HD22 H 1 0.746 0.002 . 1 . . . . A 39 LEU HD22 . 34748 1 517 . 1 . 1 41 41 LEU HD23 H 1 0.746 0.002 . 1 . . . . A 39 LEU HD23 . 34748 1 518 . 1 . 1 41 41 LEU C C 13 178.690 0.011 . 1 . . . . A 39 LEU C . 34748 1 519 . 1 . 1 41 41 LEU CA C 13 58.162 0.047 . 1 . . . . A 39 LEU CA . 34748 1 520 . 1 . 1 41 41 LEU CB C 13 41.868 0.031 . 1 . . . . A 39 LEU CB . 34748 1 521 . 1 . 1 41 41 LEU CG C 13 27.114 0.000 . 1 . . . . A 39 LEU CG . 34748 1 522 . 1 . 1 41 41 LEU CD1 C 13 25.571 0.031 . 1 . . . . A 39 LEU CD1 . 34748 1 523 . 1 . 1 41 41 LEU CD2 C 13 23.250 0.027 . 1 . . . . A 39 LEU CD2 . 34748 1 524 . 1 . 1 41 41 LEU N N 15 120.769 0.014 . 1 . . . . A 39 LEU N . 34748 1 525 . 1 . 1 42 42 SER H H 1 7.472 0.002 . 1 . . . . A 40 SER H . 34748 1 526 . 1 . 1 42 42 SER HA H 1 4.109 0.002 . 1 . . . . A 40 SER HA . 34748 1 527 . 1 . 1 42 42 SER HB2 H 1 3.987 0.008 . 2 . . . . A 40 SER HB2 . 34748 1 528 . 1 . 1 42 42 SER HB3 H 1 4.015 0.008 . 2 . . . . A 40 SER HB3 . 34748 1 529 . 1 . 1 42 42 SER C C 13 178.489 0.015 . 1 . . . . A 40 SER C . 34748 1 530 . 1 . 1 42 42 SER CA C 13 61.545 0.046 . 1 . . . . A 40 SER CA . 34748 1 531 . 1 . 1 42 42 SER CB C 13 62.749 0.031 . 1 . . . . A 40 SER CB . 34748 1 532 . 1 . 1 42 42 SER N N 15 113.745 0.015 . 1 . . . . A 40 SER N . 34748 1 533 . 1 . 1 43 43 GLU H H 1 8.683 0.003 . 1 . . . . A 41 GLU H . 34748 1 534 . 1 . 1 43 43 GLU HA H 1 4.162 0.003 . 1 . . . . A 41 GLU HA . 34748 1 535 . 1 . 1 43 43 GLU HB2 H 1 2.057 0.007 . 2 . . . . A 41 GLU HB2 . 34748 1 536 . 1 . 1 43 43 GLU HB3 H 1 2.251 0.001 . 2 . . . . A 41 GLU HB3 . 34748 1 537 . 1 . 1 43 43 GLU HG2 H 1 2.550 0.002 . 2 . . . . A 41 GLU HG2 . 34748 1 538 . 1 . 1 43 43 GLU HG3 H 1 2.613 0.008 . 2 . . . . A 41 GLU HG3 . 34748 1 539 . 1 . 1 43 43 GLU C C 13 179.568 0.003 . 1 . . . . A 41 GLU C . 34748 1 540 . 1 . 1 43 43 GLU CA C 13 58.622 0.033 . 1 . . . . A 41 GLU CA . 34748 1 541 . 1 . 1 43 43 GLU CB C 13 30.693 0.016 . 1 . . . . A 41 GLU CB . 34748 1 542 . 1 . 1 43 43 GLU CG C 13 36.401 0.047 . 1 . . . . A 41 GLU CG . 34748 1 543 . 1 . 1 43 43 GLU N N 15 121.259 0.010 . 1 . . . . A 41 GLU N . 34748 1 544 . 1 . 1 44 44 ALA H H 1 8.436 0.003 . 1 . . . . A 42 ALA H . 34748 1 545 . 1 . 1 44 44 ALA HA H 1 2.914 0.004 . 1 . . . . A 42 ALA HA . 34748 1 546 . 1 . 1 44 44 ALA HB1 H 1 0.891 0.003 . 1 . . . . A 42 ALA HB1 . 34748 1 547 . 1 . 1 44 44 ALA HB2 H 1 0.891 0.003 . 1 . . . . A 42 ALA HB2 . 34748 1 548 . 1 . 1 44 44 ALA HB3 H 1 0.891 0.003 . 1 . . . . A 42 ALA HB3 . 34748 1 549 . 1 . 1 44 44 ALA C C 13 179.283 0.007 . 1 . . . . A 42 ALA C . 34748 1 550 . 1 . 1 44 44 ALA CA C 13 55.676 0.022 . 1 . . . . A 42 ALA CA . 34748 1 551 . 1 . 1 44 44 ALA CB C 13 18.405 0.018 . 1 . . . . A 42 ALA CB . 34748 1 552 . 1 . 1 44 44 ALA N N 15 124.080 0.025 . 1 . . . . A 42 ALA N . 34748 1 553 . 1 . 1 45 45 ARG H H 1 7.721 0.003 . 1 . . . . A 43 ARG H . 34748 1 554 . 1 . 1 45 45 ARG HA H 1 3.772 0.003 . 1 . . . . A 43 ARG HA . 34748 1 555 . 1 . 1 45 45 ARG HB2 H 1 1.779 0.001 . 2 . . . . A 43 ARG HB2 . 34748 1 556 . 1 . 1 45 45 ARG HB3 H 1 1.887 0.001 . 2 . . . . A 43 ARG HB3 . 34748 1 557 . 1 . 1 45 45 ARG HG2 H 1 1.466 0.001 . 2 . . . . A 43 ARG HG2 . 34748 1 558 . 1 . 1 45 45 ARG HG3 H 1 1.834 0.002 . 2 . . . . A 43 ARG HG3 . 34748 1 559 . 1 . 1 45 45 ARG HD2 H 1 3.116 0.001 . 2 . . . . A 43 ARG HD2 . 34748 1 560 . 1 . 1 45 45 ARG HD3 H 1 3.169 0.000 . 2 . . . . A 43 ARG HD3 . 34748 1 561 . 1 . 1 45 45 ARG C C 13 178.851 0.021 . 1 . . . . A 43 ARG C . 34748 1 562 . 1 . 1 45 45 ARG CA C 13 60.472 0.034 . 1 . . . . A 43 ARG CA . 34748 1 563 . 1 . 1 45 45 ARG CB C 13 29.929 0.005 . 1 . . . . A 43 ARG CB . 34748 1 564 . 1 . 1 45 45 ARG CG C 13 29.398 0.011 . 1 . . . . A 43 ARG CG . 34748 1 565 . 1 . 1 45 45 ARG CD C 13 43.366 0.000 . 1 . . . . A 43 ARG CD . 34748 1 566 . 1 . 1 45 45 ARG N N 15 114.929 0.017 . 1 . . . . A 43 ARG N . 34748 1 567 . 1 . 1 46 46 GLN H H 1 7.686 0.003 . 1 . . . . A 44 GLN H . 34748 1 568 . 1 . 1 46 46 GLN HA H 1 3.895 0.002 . 1 . . . . A 44 GLN HA . 34748 1 569 . 1 . 1 46 46 GLN HB2 H 1 2.155 0.001 . 1 . . . . A 44 GLN HB2 . 34748 1 570 . 1 . 1 46 46 GLN HB3 H 1 2.155 0.001 . 1 . . . . A 44 GLN HB3 . 34748 1 571 . 1 . 1 46 46 GLN HG2 H 1 2.239 0.003 . 2 . . . . A 44 GLN HG2 . 34748 1 572 . 1 . 1 46 46 GLN HG3 H 1 2.358 0.002 . 2 . . . . A 44 GLN HG3 . 34748 1 573 . 1 . 1 46 46 GLN HE21 H 1 6.802 0.003 . 1 . . . . A 44 GLN HE21 . 34748 1 574 . 1 . 1 46 46 GLN HE22 H 1 7.778 0.003 . 1 . . . . A 44 GLN HE22 . 34748 1 575 . 1 . 1 46 46 GLN C C 13 177.872 0.000 . 1 . . . . A 44 GLN C . 34748 1 576 . 1 . 1 46 46 GLN CA C 13 58.796 0.042 . 1 . . . . A 44 GLN CA . 34748 1 577 . 1 . 1 46 46 GLN CB C 13 28.345 0.025 . 1 . . . . A 44 GLN CB . 34748 1 578 . 1 . 1 46 46 GLN CG C 13 33.244 0.020 . 1 . . . . A 44 GLN CG . 34748 1 579 . 1 . 1 46 46 GLN CD C 13 180.308 0.015 . 1 . . . . A 44 GLN CD . 34748 1 580 . 1 . 1 46 46 GLN N N 15 119.578 0.015 . 1 . . . . A 44 GLN N . 34748 1 581 . 1 . 1 46 46 GLN NE2 N 15 115.743 0.009 . 1 . . . . A 44 GLN NE2 . 34748 1 582 . 1 . 1 47 47 HIS H H 1 8.346 0.003 . 1 . . . . A 45 HIS H . 34748 1 583 . 1 . 1 47 47 HIS HA H 1 4.413 0.004 . 1 . . . . A 45 HIS HA . 34748 1 584 . 1 . 1 47 47 HIS HB2 H 1 3.011 0.006 . 2 . . . . A 45 HIS HB2 . 34748 1 585 . 1 . 1 47 47 HIS HB3 H 1 3.049 0.000 . 2 . . . . A 45 HIS HB3 . 34748 1 586 . 1 . 1 47 47 HIS HD2 H 1 7.676 0.002 . 1 . . . . A 45 HIS HD2 . 34748 1 587 . 1 . 1 47 47 HIS C C 13 178.287 0.011 . 1 . . . . A 45 HIS C . 34748 1 588 . 1 . 1 47 47 HIS CA C 13 59.398 0.029 . 1 . . . . A 45 HIS CA . 34748 1 589 . 1 . 1 47 47 HIS CB C 13 28.854 0.019 . 1 . . . . A 45 HIS CB . 34748 1 590 . 1 . 1 47 47 HIS CD2 C 13 122.855 0.013 . 1 . . . . A 45 HIS CD2 . 34748 1 591 . 1 . 1 47 47 HIS N N 15 116.687 0.032 . 1 . . . . A 45 HIS N . 34748 1 592 . 1 . 1 48 48 LEU H H 1 8.735 0.002 . 1 . . . . A 46 LEU H . 34748 1 593 . 1 . 1 48 48 LEU HA H 1 4.039 0.003 . 1 . . . . A 46 LEU HA . 34748 1 594 . 1 . 1 48 48 LEU HB2 H 1 1.251 0.006 . 2 . . . . A 46 LEU HB2 . 34748 1 595 . 1 . 1 48 48 LEU HB3 H 1 1.999 0.004 . 2 . . . . A 46 LEU HB3 . 34748 1 596 . 1 . 1 48 48 LEU HG H 1 1.787 0.002 . 1 . . . . A 46 LEU HG . 34748 1 597 . 1 . 1 48 48 LEU HD11 H 1 0.702 0.001 . 1 . . . . A 46 LEU HD11 . 34748 1 598 . 1 . 1 48 48 LEU HD12 H 1 0.702 0.001 . 1 . . . . A 46 LEU HD12 . 34748 1 599 . 1 . 1 48 48 LEU HD13 H 1 0.702 0.001 . 1 . . . . A 46 LEU HD13 . 34748 1 600 . 1 . 1 48 48 LEU HD21 H 1 0.877 0.004 . 1 . . . . A 46 LEU HD21 . 34748 1 601 . 1 . 1 48 48 LEU HD22 H 1 0.877 0.004 . 1 . . . . A 46 LEU HD22 . 34748 1 602 . 1 . 1 48 48 LEU HD23 H 1 0.877 0.004 . 1 . . . . A 46 LEU HD23 . 34748 1 603 . 1 . 1 48 48 LEU C C 13 179.576 0.005 . 1 . . . . A 46 LEU C . 34748 1 604 . 1 . 1 48 48 LEU CA C 13 58.288 0.022 . 1 . . . . A 46 LEU CA . 34748 1 605 . 1 . 1 48 48 LEU CB C 13 41.763 0.031 . 1 . . . . A 46 LEU CB . 34748 1 606 . 1 . 1 48 48 LEU CG C 13 26.855 0.064 . 1 . . . . A 46 LEU CG . 34748 1 607 . 1 . 1 48 48 LEU CD1 C 13 26.565 0.004 . 1 . . . . A 46 LEU CD1 . 34748 1 608 . 1 . 1 48 48 LEU CD2 C 13 24.844 0.025 . 1 . . . . A 46 LEU CD2 . 34748 1 609 . 1 . 1 48 48 LEU N N 15 121.848 0.017 . 1 . . . . A 46 LEU N . 34748 1 610 . 1 . 1 49 49 LYS H H 1 7.633 0.002 . 1 . . . . A 47 LYS H . 34748 1 611 . 1 . 1 49 49 LYS HA H 1 3.963 0.006 . 1 . . . . A 47 LYS HA . 34748 1 612 . 1 . 1 49 49 LYS HB2 H 1 1.816 0.007 . 2 . . . . A 47 LYS HB2 . 34748 1 613 . 1 . 1 49 49 LYS HB3 H 1 1.923 0.003 . 2 . . . . A 47 LYS HB3 . 34748 1 614 . 1 . 1 49 49 LYS HG2 H 1 1.345 0.002 . 2 . . . . A 47 LYS HG2 . 34748 1 615 . 1 . 1 49 49 LYS HG3 H 1 1.457 0.003 . 2 . . . . A 47 LYS HG3 . 34748 1 616 . 1 . 1 49 49 LYS HD2 H 1 1.614 0.003 . 1 . . . . A 47 LYS HD2 . 34748 1 617 . 1 . 1 49 49 LYS HD3 H 1 1.614 0.003 . 1 . . . . A 47 LYS HD3 . 34748 1 618 . 1 . 1 49 49 LYS HE2 H 1 2.913 0.002 . 1 . . . . A 47 LYS HE2 . 34748 1 619 . 1 . 1 49 49 LYS HE3 H 1 2.913 0.002 . 1 . . . . A 47 LYS HE3 . 34748 1 620 . 1 . 1 49 49 LYS C C 13 178.274 0.008 . 1 . . . . A 47 LYS C . 34748 1 621 . 1 . 1 49 49 LYS CA C 13 59.331 0.022 . 1 . . . . A 47 LYS CA . 34748 1 622 . 1 . 1 49 49 LYS CB C 13 32.133 0.022 . 1 . . . . A 47 LYS CB . 34748 1 623 . 1 . 1 49 49 LYS CG C 13 24.740 0.010 . 1 . . . . A 47 LYS CG . 34748 1 624 . 1 . 1 49 49 LYS CD C 13 29.545 0.018 . 1 . . . . A 47 LYS CD . 34748 1 625 . 1 . 1 49 49 LYS CE C 13 42.106 0.009 . 1 . . . . A 47 LYS CE . 34748 1 626 . 1 . 1 49 49 LYS N N 15 120.155 0.019 . 1 . . . . A 47 LYS N . 34748 1 627 . 1 . 1 50 50 ASP H H 1 7.961 0.002 . 1 . . . . A 48 ASP H . 34748 1 628 . 1 . 1 50 50 ASP HA H 1 4.652 0.002 . 1 . . . . A 48 ASP HA . 34748 1 629 . 1 . 1 50 50 ASP HB2 H 1 2.744 0.002 . 1 . . . . A 48 ASP HB2 . 34748 1 630 . 1 . 1 50 50 ASP HB3 H 1 2.744 0.002 . 1 . . . . A 48 ASP HB3 . 34748 1 631 . 1 . 1 50 50 ASP C C 13 176.938 0.007 . 1 . . . . A 48 ASP C . 34748 1 632 . 1 . 1 50 50 ASP CA C 13 54.827 0.031 . 1 . . . . A 48 ASP CA . 34748 1 633 . 1 . 1 50 50 ASP CB C 13 41.517 0.011 . 1 . . . . A 48 ASP CB . 34748 1 634 . 1 . 1 50 50 ASP N N 15 116.769 0.017 . 1 . . . . A 48 ASP N . 34748 1 635 . 1 . 1 51 51 GLY H H 1 7.849 0.002 . 1 . . . . A 49 GLY H . 34748 1 636 . 1 . 1 51 51 GLY HA2 H 1 4.250 0.002 . 1 . . . . A 49 GLY HA2 . 34748 1 637 . 1 . 1 51 51 GLY HA3 H 1 4.250 0.002 . 1 . . . . A 49 GLY HA3 . 34748 1 638 . 1 . 1 51 51 GLY C C 13 176.303 0.003 . 1 . . . . A 49 GLY C . 34748 1 639 . 1 . 1 51 51 GLY CA C 13 46.877 0.023 . 1 . . . . A 49 GLY CA . 34748 1 640 . 1 . 1 51 51 GLY N N 15 108.783 0.011 . 1 . . . . A 49 GLY N . 34748 1 641 . 1 . 1 52 52 THR H H 1 8.901 0.003 . 1 . . . . A 50 THR H . 34748 1 642 . 1 . 1 52 52 THR HA H 1 4.889 0.003 . 1 . . . . A 50 THR HA . 34748 1 643 . 1 . 1 52 52 THR HB H 1 5.114 0.004 . 1 . . . . A 50 THR HB . 34748 1 644 . 1 . 1 52 52 THR HG21 H 1 1.157 0.001 . 1 . . . . A 50 THR HG21 . 34748 1 645 . 1 . 1 52 52 THR HG22 H 1 1.157 0.001 . 1 . . . . A 50 THR HG22 . 34748 1 646 . 1 . 1 52 52 THR HG23 H 1 1.157 0.001 . 1 . . . . A 50 THR HG23 . 34748 1 647 . 1 . 1 52 52 THR C C 13 174.430 0.001 . 1 . . . . A 50 THR C . 34748 1 648 . 1 . 1 52 52 THR CA C 13 60.160 0.020 . 1 . . . . A 50 THR CA . 34748 1 649 . 1 . 1 52 52 THR CB C 13 67.457 0.034 . 1 . . . . A 50 THR CB . 34748 1 650 . 1 . 1 52 52 THR CG2 C 13 21.442 0.034 . 1 . . . . A 50 THR CG2 . 34748 1 651 . 1 . 1 52 52 THR N N 15 110.623 0.016 . 1 . . . . A 50 THR N . 34748 1 652 . 1 . 1 53 53 CYS H H 1 8.480 0.002 . 1 . . . . A 51 CYS H . 34748 1 653 . 1 . 1 53 53 CYS HA H 1 5.364 0.003 . 1 . . . . A 51 CYS HA . 34748 1 654 . 1 . 1 53 53 CYS HB2 H 1 2.477 0.002 . 2 . . . . A 51 CYS HB2 . 34748 1 655 . 1 . 1 53 53 CYS HB3 H 1 2.980 0.003 . 2 . . . . A 51 CYS HB3 . 34748 1 656 . 1 . 1 53 53 CYS HG H 1 2.148 0.002 . 1 . . . . A 51 CYS HG . 34748 1 657 . 1 . 1 53 53 CYS C C 13 173.054 0.006 . 1 . . . . A 51 CYS C . 34748 1 658 . 1 . 1 53 53 CYS CA C 13 57.651 0.031 . 1 . . . . A 51 CYS CA . 34748 1 659 . 1 . 1 53 53 CYS CB C 13 30.820 0.029 . 1 . . . . A 51 CYS CB . 34748 1 660 . 1 . 1 53 53 CYS N N 15 121.795 0.019 . 1 . . . . A 51 CYS N . 34748 1 661 . 1 . 1 54 54 GLY H H 1 9.786 0.002 . 1 . . . . A 52 GLY H . 34748 1 662 . 1 . 1 54 54 GLY HA2 H 1 3.174 0.006 . 2 . . . . A 52 GLY HA2 . 34748 1 663 . 1 . 1 54 54 GLY HA3 H 1 4.720 0.004 . 2 . . . . A 52 GLY HA3 . 34748 1 664 . 1 . 1 54 54 GLY C C 13 169.918 0.007 . 1 . . . . A 52 GLY C . 34748 1 665 . 1 . 1 54 54 GLY CA C 13 43.675 0.039 . 1 . . . . A 52 GLY CA . 34748 1 666 . 1 . 1 54 54 GLY N N 15 113.413 0.022 . 1 . . . . A 52 GLY N . 34748 1 667 . 1 . 1 55 55 LEU H H 1 8.775 0.003 . 1 . . . . A 53 LEU H . 34748 1 668 . 1 . 1 55 55 LEU HA H 1 5.121 0.004 . 1 . . . . A 53 LEU HA . 34748 1 669 . 1 . 1 55 55 LEU HB2 H 1 1.077 0.004 . 2 . . . . A 53 LEU HB2 . 34748 1 670 . 1 . 1 55 55 LEU HB3 H 1 1.516 0.004 . 2 . . . . A 53 LEU HB3 . 34748 1 671 . 1 . 1 55 55 LEU HG H 1 1.300 0.002 . 1 . . . . A 53 LEU HG . 34748 1 672 . 1 . 1 55 55 LEU HD11 H 1 0.627 0.002 . 1 . . . . A 53 LEU HD11 . 34748 1 673 . 1 . 1 55 55 LEU HD12 H 1 0.627 0.002 . 1 . . . . A 53 LEU HD12 . 34748 1 674 . 1 . 1 55 55 LEU HD13 H 1 0.627 0.002 . 1 . . . . A 53 LEU HD13 . 34748 1 675 . 1 . 1 55 55 LEU HD21 H 1 0.669 0.001 . 1 . . . . A 53 LEU HD21 . 34748 1 676 . 1 . 1 55 55 LEU HD22 H 1 0.669 0.001 . 1 . . . . A 53 LEU HD22 . 34748 1 677 . 1 . 1 55 55 LEU HD23 H 1 0.669 0.001 . 1 . . . . A 53 LEU HD23 . 34748 1 678 . 1 . 1 55 55 LEU C C 13 174.118 0.002 . 1 . . . . A 53 LEU C . 34748 1 679 . 1 . 1 55 55 LEU CA C 13 53.370 0.039 . 1 . . . . A 53 LEU CA . 34748 1 680 . 1 . 1 55 55 LEU CB C 13 47.044 0.021 . 1 . . . . A 53 LEU CB . 34748 1 681 . 1 . 1 55 55 LEU CG C 13 27.334 0.026 . 1 . . . . A 53 LEU CG . 34748 1 682 . 1 . 1 55 55 LEU CD1 C 13 25.589 0.025 . 1 . . . . A 53 LEU CD1 . 34748 1 683 . 1 . 1 55 55 LEU CD2 C 13 25.985 0.018 . 1 . . . . A 53 LEU CD2 . 34748 1 684 . 1 . 1 55 55 LEU N N 15 120.293 0.020 . 1 . . . . A 53 LEU N . 34748 1 685 . 1 . 1 56 56 VAL H H 1 9.445 0.003 . 1 . . . . A 54 VAL H . 34748 1 686 . 1 . 1 56 56 VAL HA H 1 4.511 0.003 . 1 . . . . A 54 VAL HA . 34748 1 687 . 1 . 1 56 56 VAL HB H 1 1.825 0.003 . 1 . . . . A 54 VAL HB . 34748 1 688 . 1 . 1 56 56 VAL HG11 H 1 0.899 0.001 . 1 . . . . A 54 VAL HG11 . 34748 1 689 . 1 . 1 56 56 VAL HG12 H 1 0.899 0.001 . 1 . . . . A 54 VAL HG12 . 34748 1 690 . 1 . 1 56 56 VAL HG13 H 1 0.899 0.001 . 1 . . . . A 54 VAL HG13 . 34748 1 691 . 1 . 1 56 56 VAL HG21 H 1 0.725 0.002 . 1 . . . . A 54 VAL HG21 . 34748 1 692 . 1 . 1 56 56 VAL HG22 H 1 0.725 0.002 . 1 . . . . A 54 VAL HG22 . 34748 1 693 . 1 . 1 56 56 VAL HG23 H 1 0.725 0.002 . 1 . . . . A 54 VAL HG23 . 34748 1 694 . 1 . 1 56 56 VAL C C 13 176.361 0.005 . 1 . . . . A 54 VAL C . 34748 1 695 . 1 . 1 56 56 VAL CA C 13 60.231 0.035 . 1 . . . . A 54 VAL CA . 34748 1 696 . 1 . 1 56 56 VAL CB C 13 33.589 0.048 . 1 . . . . A 54 VAL CB . 34748 1 697 . 1 . 1 56 56 VAL CG1 C 13 22.151 0.028 . 1 . . . . A 54 VAL CG1 . 34748 1 698 . 1 . 1 56 56 VAL CG2 C 13 21.928 0.025 . 1 . . . . A 54 VAL CG2 . 34748 1 699 . 1 . 1 56 56 VAL N N 15 125.309 0.016 . 1 . . . . A 54 VAL N . 34748 1 700 . 1 . 1 57 57 GLU H H 1 8.973 0.003 . 1 . . . . A 55 GLU H . 34748 1 701 . 1 . 1 57 57 GLU HA H 1 4.259 0.002 . 1 . . . . A 55 GLU HA . 34748 1 702 . 1 . 1 57 57 GLU HB2 H 1 1.886 0.002 . 2 . . . . A 55 GLU HB2 . 34748 1 703 . 1 . 1 57 57 GLU HB3 H 1 1.961 0.003 . 2 . . . . A 55 GLU HB3 . 34748 1 704 . 1 . 1 57 57 GLU HG2 H 1 2.099 0.001 . 2 . . . . A 55 GLU HG2 . 34748 1 705 . 1 . 1 57 57 GLU HG3 H 1 2.307 0.002 . 2 . . . . A 55 GLU HG3 . 34748 1 706 . 1 . 1 57 57 GLU C C 13 176.832 0.003 . 1 . . . . A 55 GLU C . 34748 1 707 . 1 . 1 57 57 GLU CA C 13 57.675 0.031 . 1 . . . . A 55 GLU CA . 34748 1 708 . 1 . 1 57 57 GLU CB C 13 29.680 0.026 . 1 . . . . A 55 GLU CB . 34748 1 709 . 1 . 1 57 57 GLU CG C 13 37.889 0.013 . 1 . . . . A 55 GLU CG . 34748 1 710 . 1 . 1 57 57 GLU N N 15 126.691 0.027 . 1 . . . . A 55 GLU N . 34748 1 711 . 1 . 1 58 58 VAL H H 1 8.642 0.004 . 1 . . . . A 56 VAL H . 34748 1 712 . 1 . 1 58 58 VAL HA H 1 3.654 0.002 . 1 . . . . A 56 VAL HA . 34748 1 713 . 1 . 1 58 58 VAL HB H 1 2.011 0.002 . 1 . . . . A 56 VAL HB . 34748 1 714 . 1 . 1 58 58 VAL HG11 H 1 0.838 0.001 . 1 . . . . A 56 VAL HG11 . 34748 1 715 . 1 . 1 58 58 VAL HG12 H 1 0.838 0.001 . 1 . . . . A 56 VAL HG12 . 34748 1 716 . 1 . 1 58 58 VAL HG13 H 1 0.838 0.001 . 1 . . . . A 56 VAL HG13 . 34748 1 717 . 1 . 1 58 58 VAL HG21 H 1 0.901 0.001 . 1 . . . . A 56 VAL HG21 . 34748 1 718 . 1 . 1 58 58 VAL HG22 H 1 0.901 0.001 . 1 . . . . A 56 VAL HG22 . 34748 1 719 . 1 . 1 58 58 VAL HG23 H 1 0.901 0.001 . 1 . . . . A 56 VAL HG23 . 34748 1 720 . 1 . 1 58 58 VAL C C 13 174.828 0.017 . 1 . . . . A 56 VAL C . 34748 1 721 . 1 . 1 58 58 VAL CA C 13 64.370 0.027 . 1 . . . . A 56 VAL CA . 34748 1 722 . 1 . 1 58 58 VAL CB C 13 31.371 0.016 . 1 . . . . A 56 VAL CB . 34748 1 723 . 1 . 1 58 58 VAL CG1 C 13 22.157 0.006 . 1 . . . . A 56 VAL CG1 . 34748 1 724 . 1 . 1 58 58 VAL CG2 C 13 22.155 0.011 . 1 . . . . A 56 VAL CG2 . 34748 1 725 . 1 . 1 58 58 VAL N N 15 122.036 0.019 . 1 . . . . A 56 VAL N . 34748 1 726 . 1 . 1 59 59 GLU H H 1 6.895 0.008 . 1 . . . . A 57 GLU H . 34748 1 727 . 1 . 1 59 59 GLU HA H 1 4.568 0.004 . 1 . . . . A 57 GLU HA . 34748 1 728 . 1 . 1 59 59 GLU HB2 H 1 1.861 0.007 . 2 . . . . A 57 GLU HB2 . 34748 1 729 . 1 . 1 59 59 GLU HB3 H 1 2.184 0.001 . 2 . . . . A 57 GLU HB3 . 34748 1 730 . 1 . 1 59 59 GLU HG2 H 1 2.128 0.001 . 2 . . . . A 57 GLU HG2 . 34748 1 731 . 1 . 1 59 59 GLU HG3 H 1 2.187 0.001 . 2 . . . . A 57 GLU HG3 . 34748 1 732 . 1 . 1 59 59 GLU C C 13 175.756 0.013 . 1 . . . . A 57 GLU C . 34748 1 733 . 1 . 1 59 59 GLU CA C 13 54.186 0.053 . 1 . . . . A 57 GLU CA . 34748 1 734 . 1 . 1 59 59 GLU CB C 13 32.971 0.010 . 1 . . . . A 57 GLU CB . 34748 1 735 . 1 . 1 59 59 GLU CG C 13 36.118 0.003 . 1 . . . . A 57 GLU CG . 34748 1 736 . 1 . 1 59 59 GLU N N 15 124.219 0.019 . 1 . . . . A 57 GLU N . 34748 1 737 . 1 . 1 60 60 LYS H H 1 8.957 0.004 . 1 . . . . A 58 LYS H . 34748 1 738 . 1 . 1 60 60 LYS HA H 1 4.058 0.001 . 1 . . . . A 58 LYS HA . 34748 1 739 . 1 . 1 60 60 LYS HB2 H 1 1.789 0.001 . 2 . . . . A 58 LYS HB2 . 34748 1 740 . 1 . 1 60 60 LYS HB3 H 1 1.832 0.001 . 2 . . . . A 58 LYS HB3 . 34748 1 741 . 1 . 1 60 60 LYS HG2 H 1 1.392 0.001 . 2 . . . . A 58 LYS HG2 . 34748 1 742 . 1 . 1 60 60 LYS HG3 H 1 1.503 0.002 . 2 . . . . A 58 LYS HG3 . 34748 1 743 . 1 . 1 60 60 LYS HD2 H 1 1.703 0.002 . 1 . . . . A 58 LYS HD2 . 34748 1 744 . 1 . 1 60 60 LYS HD3 H 1 1.703 0.002 . 1 . . . . A 58 LYS HD3 . 34748 1 745 . 1 . 1 60 60 LYS HE2 H 1 2.997 0.001 . 1 . . . . A 58 LYS HE2 . 34748 1 746 . 1 . 1 60 60 LYS HE3 H 1 2.997 0.001 . 1 . . . . A 58 LYS HE3 . 34748 1 747 . 1 . 1 60 60 LYS C C 13 177.727 0.000 . 1 . . . . A 58 LYS C . 34748 1 748 . 1 . 1 60 60 LYS CA C 13 59.084 0.026 . 1 . . . . A 58 LYS CA . 34748 1 749 . 1 . 1 60 60 LYS CB C 13 31.954 0.008 . 1 . . . . A 58 LYS CB . 34748 1 750 . 1 . 1 60 60 LYS CG C 13 24.633 0.017 . 1 . . . . A 58 LYS CG . 34748 1 751 . 1 . 1 60 60 LYS CD C 13 29.365 0.006 . 1 . . . . A 58 LYS CD . 34748 1 752 . 1 . 1 60 60 LYS CE C 13 42.068 0.011 . 1 . . . . A 58 LYS CE . 34748 1 753 . 1 . 1 60 60 LYS N N 15 123.735 0.030 . 1 . . . . A 58 LYS N . 34748 1 754 . 1 . 1 61 61 GLY H H 1 8.990 0.003 . 1 . . . . A 59 GLY H . 34748 1 755 . 1 . 1 61 61 GLY HA2 H 1 3.696 0.002 . 2 . . . . A 59 GLY HA2 . 34748 1 756 . 1 . 1 61 61 GLY HA3 H 1 4.267 0.005 . 2 . . . . A 59 GLY HA3 . 34748 1 757 . 1 . 1 61 61 GLY C C 13 175.685 0.000 . 1 . . . . A 59 GLY C . 34748 1 758 . 1 . 1 61 61 GLY CA C 13 45.443 0.030 . 1 . . . . A 59 GLY CA . 34748 1 759 . 1 . 1 61 61 GLY N N 15 112.857 0.035 . 1 . . . . A 59 GLY N . 34748 1 760 . 1 . 1 62 62 VAL H H 1 7.948 0.002 . 1 . . . . A 60 VAL H . 34748 1 761 . 1 . 1 62 62 VAL HA H 1 3.819 0.004 . 1 . . . . A 60 VAL HA . 34748 1 762 . 1 . 1 62 62 VAL HB H 1 2.114 0.002 . 1 . . . . A 60 VAL HB . 34748 1 763 . 1 . 1 62 62 VAL HG11 H 1 0.895 0.002 . 1 . . . . A 60 VAL HG11 . 34748 1 764 . 1 . 1 62 62 VAL HG12 H 1 0.895 0.002 . 1 . . . . A 60 VAL HG12 . 34748 1 765 . 1 . 1 62 62 VAL HG13 H 1 0.895 0.002 . 1 . . . . A 60 VAL HG13 . 34748 1 766 . 1 . 1 62 62 VAL HG21 H 1 1.081 0.001 . 1 . . . . A 60 VAL HG21 . 34748 1 767 . 1 . 1 62 62 VAL HG22 H 1 1.081 0.001 . 1 . . . . A 60 VAL HG22 . 34748 1 768 . 1 . 1 62 62 VAL HG23 H 1 1.081 0.001 . 1 . . . . A 60 VAL HG23 . 34748 1 769 . 1 . 1 62 62 VAL CA C 13 66.475 0.030 . 1 . . . . A 60 VAL CA . 34748 1 770 . 1 . 1 62 62 VAL CB C 13 32.948 0.062 . 1 . . . . A 60 VAL CB . 34748 1 771 . 1 . 1 62 62 VAL CG1 C 13 20.921 0.023 . 1 . . . . A 60 VAL CG1 . 34748 1 772 . 1 . 1 62 62 VAL CG2 C 13 23.617 0.019 . 1 . . . . A 60 VAL CG2 . 34748 1 773 . 1 . 1 62 62 VAL N N 15 122.115 0.016 . 1 . . . . A 60 VAL N . 34748 1 774 . 1 . 1 63 63 LEU H H 1 8.755 0.002 . 1 . . . . A 61 LEU H . 34748 1 775 . 1 . 1 63 63 LEU HA H 1 3.974 0.002 . 1 . . . . A 61 LEU HA . 34748 1 776 . 1 . 1 63 63 LEU HB2 H 1 1.322 0.004 . 2 . . . . A 61 LEU HB2 . 34748 1 777 . 1 . 1 63 63 LEU HB3 H 1 1.834 0.005 . 2 . . . . A 61 LEU HB3 . 34748 1 778 . 1 . 1 63 63 LEU HG H 1 1.636 0.002 . 1 . . . . A 61 LEU HG . 34748 1 779 . 1 . 1 63 63 LEU HD11 H 1 0.751 0.002 . 1 . . . . A 61 LEU HD11 . 34748 1 780 . 1 . 1 63 63 LEU HD12 H 1 0.751 0.002 . 1 . . . . A 61 LEU HD12 . 34748 1 781 . 1 . 1 63 63 LEU HD13 H 1 0.751 0.002 . 1 . . . . A 61 LEU HD13 . 34748 1 782 . 1 . 1 63 63 LEU HD21 H 1 0.288 0.002 . 1 . . . . A 61 LEU HD21 . 34748 1 783 . 1 . 1 63 63 LEU HD22 H 1 0.288 0.002 . 1 . . . . A 61 LEU HD22 . 34748 1 784 . 1 . 1 63 63 LEU HD23 H 1 0.288 0.002 . 1 . . . . A 61 LEU HD23 . 34748 1 785 . 1 . 1 63 63 LEU CA C 13 59.751 0.039 . 1 . . . . A 61 LEU CA . 34748 1 786 . 1 . 1 63 63 LEU CB C 13 37.836 0.030 . 1 . . . . A 61 LEU CB . 34748 1 787 . 1 . 1 63 63 LEU CG C 13 26.676 0.025 . 1 . . . . A 61 LEU CG . 34748 1 788 . 1 . 1 63 63 LEU CD1 C 13 25.531 0.014 . 1 . . . . A 61 LEU CD1 . 34748 1 789 . 1 . 1 63 63 LEU CD2 C 13 22.417 0.017 . 1 . . . . A 61 LEU CD2 . 34748 1 790 . 1 . 1 63 63 LEU N N 15 119.327 0.029 . 1 . . . . A 61 LEU N . 34748 1 791 . 1 . 1 64 64 PRO HA H 1 4.593 0.002 . 1 . . . . A 62 PRO HA . 34748 1 792 . 1 . 1 64 64 PRO HB2 H 1 1.740 0.001 . 2 . . . . A 62 PRO HB2 . 34748 1 793 . 1 . 1 64 64 PRO HB3 H 1 2.455 0.002 . 2 . . . . A 62 PRO HB3 . 34748 1 794 . 1 . 1 64 64 PRO HG2 H 1 1.958 0.003 . 2 . . . . A 62 PRO HG2 . 34748 1 795 . 1 . 1 64 64 PRO HG3 H 1 2.018 0.004 . 2 . . . . A 62 PRO HG3 . 34748 1 796 . 1 . 1 64 64 PRO HD2 H 1 3.303 0.003 . 2 . . . . A 62 PRO HD2 . 34748 1 797 . 1 . 1 64 64 PRO HD3 H 1 3.731 0.002 . 2 . . . . A 62 PRO HD3 . 34748 1 798 . 1 . 1 64 64 PRO CA C 13 65.073 0.024 . 1 . . . . A 62 PRO CA . 34748 1 799 . 1 . 1 64 64 PRO CB C 13 31.569 0.018 . 1 . . . . A 62 PRO CB . 34748 1 800 . 1 . 1 64 64 PRO CG C 13 28.102 0.013 . 1 . . . . A 62 PRO CG . 34748 1 801 . 1 . 1 64 64 PRO CD C 13 50.664 0.029 . 1 . . . . A 62 PRO CD . 34748 1 802 . 1 . 1 65 65 GLN H H 1 7.647 0.002 . 1 . . . . A 63 GLN H . 34748 1 803 . 1 . 1 65 65 GLN HA H 1 4.383 0.002 . 1 . . . . A 63 GLN HA . 34748 1 804 . 1 . 1 65 65 GLN HB2 H 1 2.147 0.004 . 2 . . . . A 63 GLN HB2 . 34748 1 805 . 1 . 1 65 65 GLN HB3 H 1 2.231 0.004 . 2 . . . . A 63 GLN HB3 . 34748 1 806 . 1 . 1 65 65 GLN HG2 H 1 2.272 0.002 . 2 . . . . A 63 GLN HG2 . 34748 1 807 . 1 . 1 65 65 GLN HG3 H 1 2.422 0.002 . 2 . . . . A 63 GLN HG3 . 34748 1 808 . 1 . 1 65 65 GLN HE21 H 1 6.708 0.003 . 1 . . . . A 63 GLN HE21 . 34748 1 809 . 1 . 1 65 65 GLN HE22 H 1 7.311 0.002 . 1 . . . . A 63 GLN HE22 . 34748 1 810 . 1 . 1 65 65 GLN C C 13 175.441 0.000 . 1 . . . . A 63 GLN C . 34748 1 811 . 1 . 1 65 65 GLN CA C 13 56.104 0.012 . 1 . . . . A 63 GLN CA . 34748 1 812 . 1 . 1 65 65 GLN CB C 13 30.140 0.029 . 1 . . . . A 63 GLN CB . 34748 1 813 . 1 . 1 65 65 GLN CG C 13 34.942 0.026 . 1 . . . . A 63 GLN CG . 34748 1 814 . 1 . 1 65 65 GLN CD C 13 180.076 0.012 . 1 . . . . A 63 GLN CD . 34748 1 815 . 1 . 1 65 65 GLN N N 15 113.282 0.018 . 1 . . . . A 63 GLN N . 34748 1 816 . 1 . 1 65 65 GLN NE2 N 15 112.332 0.002 . 1 . . . . A 63 GLN NE2 . 34748 1 817 . 1 . 1 66 66 LEU H H 1 7.963 0.003 . 1 . . . . A 64 LEU H . 34748 1 818 . 1 . 1 66 66 LEU HA H 1 4.778 0.004 . 1 . . . . A 64 LEU HA . 34748 1 819 . 1 . 1 66 66 LEU HB2 H 1 1.956 0.005 . 2 . . . . A 64 LEU HB2 . 34748 1 820 . 1 . 1 66 66 LEU HB3 H 1 2.081 0.007 . 2 . . . . A 64 LEU HB3 . 34748 1 821 . 1 . 1 66 66 LEU HG H 1 1.653 0.001 . 1 . . . . A 64 LEU HG . 34748 1 822 . 1 . 1 66 66 LEU HD11 H 1 0.708 0.001 . 1 . . . . A 64 LEU HD11 . 34748 1 823 . 1 . 1 66 66 LEU HD12 H 1 0.708 0.001 . 1 . . . . A 64 LEU HD12 . 34748 1 824 . 1 . 1 66 66 LEU HD13 H 1 0.708 0.001 . 1 . . . . A 64 LEU HD13 . 34748 1 825 . 1 . 1 66 66 LEU HD21 H 1 0.832 0.001 . 1 . . . . A 64 LEU HD21 . 34748 1 826 . 1 . 1 66 66 LEU HD22 H 1 0.832 0.001 . 1 . . . . A 64 LEU HD22 . 34748 1 827 . 1 . 1 66 66 LEU HD23 H 1 0.832 0.001 . 1 . . . . A 64 LEU HD23 . 34748 1 828 . 1 . 1 66 66 LEU C C 13 175.003 0.006 . 1 . . . . A 64 LEU C . 34748 1 829 . 1 . 1 66 66 LEU CA C 13 53.484 0.009 . 1 . . . . A 64 LEU CA . 34748 1 830 . 1 . 1 66 66 LEU CB C 13 43.675 0.043 . 1 . . . . A 64 LEU CB . 34748 1 831 . 1 . 1 66 66 LEU CG C 13 26.806 0.001 . 1 . . . . A 64 LEU CG . 34748 1 832 . 1 . 1 66 66 LEU CD1 C 13 26.789 0.045 . 1 . . . . A 64 LEU CD1 . 34748 1 833 . 1 . 1 66 66 LEU CD2 C 13 22.785 0.013 . 1 . . . . A 64 LEU CD2 . 34748 1 834 . 1 . 1 66 66 LEU N N 15 121.666 0.015 . 1 . . . . A 64 LEU N . 34748 1 835 . 1 . 1 67 67 GLU H H 1 7.304 0.002 . 1 . . . . A 65 GLU H . 34748 1 836 . 1 . 1 67 67 GLU HA H 1 4.389 0.005 . 1 . . . . A 65 GLU HA . 34748 1 837 . 1 . 1 67 67 GLU HB2 H 1 1.466 0.004 . 2 . . . . A 65 GLU HB2 . 34748 1 838 . 1 . 1 67 67 GLU HB3 H 1 1.869 0.001 . 2 . . . . A 65 GLU HB3 . 34748 1 839 . 1 . 1 67 67 GLU HG2 H 1 2.111 0.001 . 2 . . . . A 65 GLU HG2 . 34748 1 840 . 1 . 1 67 67 GLU HG3 H 1 2.171 0.002 . 2 . . . . A 65 GLU HG3 . 34748 1 841 . 1 . 1 67 67 GLU C C 13 175.057 0.004 . 1 . . . . A 65 GLU C . 34748 1 842 . 1 . 1 67 67 GLU CA C 13 55.536 0.021 . 1 . . . . A 65 GLU CA . 34748 1 843 . 1 . 1 67 67 GLU CB C 13 31.122 0.022 . 1 . . . . A 65 GLU CB . 34748 1 844 . 1 . 1 67 67 GLU CG C 13 36.161 0.000 . 1 . . . . A 65 GLU CG . 34748 1 845 . 1 . 1 67 67 GLU N N 15 118.084 0.011 . 1 . . . . A 65 GLU N . 34748 1 846 . 1 . 1 68 68 GLN H H 1 8.239 0.002 . 1 . . . . A 66 GLN H . 34748 1 847 . 1 . 1 68 68 GLN HA H 1 3.359 0.002 . 1 . . . . A 66 GLN HA . 34748 1 848 . 1 . 1 68 68 GLN HB2 H 1 1.715 0.004 . 1 . . . . A 66 GLN HB2 . 34748 1 849 . 1 . 1 68 68 GLN HB3 H 1 1.715 0.004 . 1 . . . . A 66 GLN HB3 . 34748 1 850 . 1 . 1 68 68 GLN HG2 H 1 1.845 0.006 . 2 . . . . A 66 GLN HG2 . 34748 1 851 . 1 . 1 68 68 GLN HG3 H 1 2.103 0.009 . 2 . . . . A 66 GLN HG3 . 34748 1 852 . 1 . 1 68 68 GLN HE21 H 1 6.949 0.002 . 1 . . . . A 66 GLN HE21 . 34748 1 853 . 1 . 1 68 68 GLN HE22 H 1 7.346 0.002 . 1 . . . . A 66 GLN HE22 . 34748 1 854 . 1 . 1 68 68 GLN C C 13 174.192 0.000 . 1 . . . . A 66 GLN C . 34748 1 855 . 1 . 1 68 68 GLN CA C 13 53.615 0.033 . 1 . . . . A 66 GLN CA . 34748 1 856 . 1 . 1 68 68 GLN CB C 13 28.572 0.030 . 1 . . . . A 66 GLN CB . 34748 1 857 . 1 . 1 68 68 GLN CG C 13 33.983 0.040 . 1 . . . . A 66 GLN CG . 34748 1 858 . 1 . 1 68 68 GLN CD C 13 180.387 0.010 . 1 . . . . A 66 GLN CD . 34748 1 859 . 1 . 1 68 68 GLN N N 15 121.589 0.011 . 1 . . . . A 66 GLN N . 34748 1 860 . 1 . 1 68 68 GLN NE2 N 15 111.184 0.005 . 1 . . . . A 66 GLN NE2 . 34748 1 861 . 1 . 1 69 69 PRO HA H 1 4.371 0.003 . 1 . . . . A 67 PRO HA . 34748 1 862 . 1 . 1 69 69 PRO HB2 H 1 1.773 0.004 . 2 . . . . A 67 PRO HB2 . 34748 1 863 . 1 . 1 69 69 PRO HB3 H 1 2.168 0.003 . 2 . . . . A 67 PRO HB3 . 34748 1 864 . 1 . 1 69 69 PRO HG2 H 1 1.461 0.002 . 2 . . . . A 67 PRO HG2 . 34748 1 865 . 1 . 1 69 69 PRO HG3 H 1 1.511 0.003 . 2 . . . . A 67 PRO HG3 . 34748 1 866 . 1 . 1 69 69 PRO HD2 H 1 3.369 0.002 . 2 . . . . A 67 PRO HD2 . 34748 1 867 . 1 . 1 69 69 PRO HD3 H 1 3.664 0.003 . 2 . . . . A 67 PRO HD3 . 34748 1 868 . 1 . 1 69 69 PRO C C 13 173.668 0.000 . 1 . . . . A 67 PRO C . 34748 1 869 . 1 . 1 69 69 PRO CA C 13 61.474 0.019 . 1 . . . . A 67 PRO CA . 34748 1 870 . 1 . 1 69 69 PRO CB C 13 34.794 0.033 . 1 . . . . A 67 PRO CB . 34748 1 871 . 1 . 1 69 69 PRO CG C 13 24.418 0.010 . 1 . . . . A 67 PRO CG . 34748 1 872 . 1 . 1 69 69 PRO CD C 13 50.154 0.020 . 1 . . . . A 67 PRO CD . 34748 1 873 . 1 . 1 70 70 TYR H H 1 8.048 0.004 . 1 . . . . A 68 TYR H . 34748 1 874 . 1 . 1 70 70 TYR HA H 1 4.530 0.005 . 1 . . . . A 68 TYR HA . 34748 1 875 . 1 . 1 70 70 TYR HB2 H 1 2.291 0.003 . 1 . . . . A 68 TYR HB2 . 34748 1 876 . 1 . 1 70 70 TYR HB3 H 1 2.291 0.003 . 1 . . . . A 68 TYR HB3 . 34748 1 877 . 1 . 1 70 70 TYR HD1 H 1 6.988 0.006 . 1 . . . . A 68 TYR HD1 . 34748 1 878 . 1 . 1 70 70 TYR HD2 H 1 6.988 0.006 . 1 . . . . A 68 TYR HD2 . 34748 1 879 . 1 . 1 70 70 TYR HE1 H 1 6.588 0.004 . 1 . . . . A 68 TYR HE1 . 34748 1 880 . 1 . 1 70 70 TYR HE2 H 1 6.588 0.004 . 1 . . . . A 68 TYR HE2 . 34748 1 881 . 1 . 1 70 70 TYR C C 13 175.607 0.022 . 1 . . . . A 68 TYR C . 34748 1 882 . 1 . 1 70 70 TYR CA C 13 55.910 0.037 . 1 . . . . A 68 TYR CA . 34748 1 883 . 1 . 1 70 70 TYR CB C 13 41.410 0.015 . 1 . . . . A 68 TYR CB . 34748 1 884 . 1 . 1 70 70 TYR CD1 C 13 133.136 0.064 . 1 . . . . A 68 TYR CD1 . 34748 1 885 . 1 . 1 70 70 TYR CD2 C 13 133.136 0.064 . 1 . . . . A 68 TYR CD2 . 34748 1 886 . 1 . 1 70 70 TYR CE1 C 13 118.651 0.075 . 1 . . . . A 68 TYR CE1 . 34748 1 887 . 1 . 1 70 70 TYR CE2 C 13 118.651 0.075 . 1 . . . . A 68 TYR CE2 . 34748 1 888 . 1 . 1 70 70 TYR N N 15 119.726 0.021 . 1 . . . . A 68 TYR N . 34748 1 889 . 1 . 1 71 71 VAL H H 1 9.042 0.002 . 1 . . . . A 69 VAL H . 34748 1 890 . 1 . 1 71 71 VAL HA H 1 4.484 0.003 . 1 . . . . A 69 VAL HA . 34748 1 891 . 1 . 1 71 71 VAL HB H 1 2.060 0.001 . 1 . . . . A 69 VAL HB . 34748 1 892 . 1 . 1 71 71 VAL HG11 H 1 0.774 0.001 . 1 . . . . A 69 VAL HG11 . 34748 1 893 . 1 . 1 71 71 VAL HG12 H 1 0.774 0.001 . 1 . . . . A 69 VAL HG12 . 34748 1 894 . 1 . 1 71 71 VAL HG13 H 1 0.774 0.001 . 1 . . . . A 69 VAL HG13 . 34748 1 895 . 1 . 1 71 71 VAL HG21 H 1 0.925 0.003 . 1 . . . . A 69 VAL HG21 . 34748 1 896 . 1 . 1 71 71 VAL HG22 H 1 0.925 0.003 . 1 . . . . A 69 VAL HG22 . 34748 1 897 . 1 . 1 71 71 VAL HG23 H 1 0.925 0.003 . 1 . . . . A 69 VAL HG23 . 34748 1 898 . 1 . 1 71 71 VAL C C 13 174.378 0.010 . 1 . . . . A 69 VAL C . 34748 1 899 . 1 . 1 71 71 VAL CA C 13 61.912 0.035 . 1 . . . . A 69 VAL CA . 34748 1 900 . 1 . 1 71 71 VAL CB C 13 32.488 0.004 . 1 . . . . A 69 VAL CB . 34748 1 901 . 1 . 1 71 71 VAL CG1 C 13 22.731 0.018 . 1 . . . . A 69 VAL CG1 . 34748 1 902 . 1 . 1 71 71 VAL CG2 C 13 22.578 0.025 . 1 . . . . A 69 VAL CG2 . 34748 1 903 . 1 . 1 71 71 VAL N N 15 120.488 0.024 . 1 . . . . A 69 VAL N . 34748 1 904 . 1 . 1 72 72 PHE H H 1 9.284 0.002 . 1 . . . . A 70 PHE H . 34748 1 905 . 1 . 1 72 72 PHE HA H 1 5.444 0.004 . 1 . . . . A 70 PHE HA . 34748 1 906 . 1 . 1 72 72 PHE HB2 H 1 2.746 0.003 . 2 . . . . A 70 PHE HB2 . 34748 1 907 . 1 . 1 72 72 PHE HB3 H 1 2.956 0.004 . 2 . . . . A 70 PHE HB3 . 34748 1 908 . 1 . 1 72 72 PHE HD1 H 1 7.074 0.006 . 1 . . . . A 70 PHE HD1 . 34748 1 909 . 1 . 1 72 72 PHE HD2 H 1 7.074 0.006 . 1 . . . . A 70 PHE HD2 . 34748 1 910 . 1 . 1 72 72 PHE HE1 H 1 7.171 0.002 . 1 . . . . A 70 PHE HE1 . 34748 1 911 . 1 . 1 72 72 PHE HE2 H 1 7.171 0.002 . 1 . . . . A 70 PHE HE2 . 34748 1 912 . 1 . 1 72 72 PHE HZ H 1 6.864 0.003 . 1 . . . . A 70 PHE HZ . 34748 1 913 . 1 . 1 72 72 PHE C C 13 176.302 0.002 . 1 . . . . A 70 PHE C . 34748 1 914 . 1 . 1 72 72 PHE CA C 13 56.287 0.066 . 1 . . . . A 70 PHE CA . 34748 1 915 . 1 . 1 72 72 PHE CB C 13 41.660 0.029 . 1 . . . . A 70 PHE CB . 34748 1 916 . 1 . 1 72 72 PHE CD1 C 13 132.012 0.083 . 1 . . . . A 70 PHE CD1 . 34748 1 917 . 1 . 1 72 72 PHE CD2 C 13 132.012 0.083 . 1 . . . . A 70 PHE CD2 . 34748 1 918 . 1 . 1 72 72 PHE CE1 C 13 131.299 0.008 . 1 . . . . A 70 PHE CE1 . 34748 1 919 . 1 . 1 72 72 PHE CE2 C 13 131.299 0.008 . 1 . . . . A 70 PHE CE2 . 34748 1 920 . 1 . 1 72 72 PHE CZ C 13 128.881 0.032 . 1 . . . . A 70 PHE CZ . 34748 1 921 . 1 . 1 72 72 PHE N N 15 123.315 0.013 . 1 . . . . A 70 PHE N . 34748 1 922 . 1 . 1 73 73 ILE H H 1 8.038 0.003 . 1 . . . . A 71 ILE H . 34748 1 923 . 1 . 1 73 73 ILE HA H 1 5.116 0.003 . 1 . . . . A 71 ILE HA . 34748 1 924 . 1 . 1 73 73 ILE HB H 1 1.534 0.003 . 1 . . . . A 71 ILE HB . 34748 1 925 . 1 . 1 73 73 ILE HG12 H 1 0.959 0.003 . 2 . . . . A 71 ILE HG12 . 34748 1 926 . 1 . 1 73 73 ILE HG13 H 1 1.619 0.004 . 2 . . . . A 71 ILE HG13 . 34748 1 927 . 1 . 1 73 73 ILE HG21 H 1 0.816 0.002 . 1 . . . . A 71 ILE HG21 . 34748 1 928 . 1 . 1 73 73 ILE HG22 H 1 0.816 0.002 . 1 . . . . A 71 ILE HG22 . 34748 1 929 . 1 . 1 73 73 ILE HG23 H 1 0.816 0.002 . 1 . . . . A 71 ILE HG23 . 34748 1 930 . 1 . 1 73 73 ILE HD11 H 1 0.722 0.002 . 1 . . . . A 71 ILE HD11 . 34748 1 931 . 1 . 1 73 73 ILE HD12 H 1 0.722 0.002 . 1 . . . . A 71 ILE HD12 . 34748 1 932 . 1 . 1 73 73 ILE HD13 H 1 0.722 0.002 . 1 . . . . A 71 ILE HD13 . 34748 1 933 . 1 . 1 73 73 ILE C C 13 174.991 0.008 . 1 . . . . A 71 ILE C . 34748 1 934 . 1 . 1 73 73 ILE CA C 13 58.713 0.020 . 1 . . . . A 71 ILE CA . 34748 1 935 . 1 . 1 73 73 ILE CB C 13 39.761 0.028 . 1 . . . . A 71 ILE CB . 34748 1 936 . 1 . 1 73 73 ILE CG1 C 13 26.094 0.032 . 1 . . . . A 71 ILE CG1 . 34748 1 937 . 1 . 1 73 73 ILE CG2 C 13 18.535 0.012 . 1 . . . . A 71 ILE CG2 . 34748 1 938 . 1 . 1 73 73 ILE CD1 C 13 14.044 0.016 . 1 . . . . A 71 ILE CD1 . 34748 1 939 . 1 . 1 73 73 ILE N N 15 112.890 0.020 . 1 . . . . A 71 ILE N . 34748 1 940 . 1 . 1 74 74 LYS H H 1 8.959 0.003 . 1 . . . . A 72 LYS H . 34748 1 941 . 1 . 1 74 74 LYS HA H 1 5.121 0.004 . 1 . . . . A 72 LYS HA . 34748 1 942 . 1 . 1 74 74 LYS HB2 H 1 1.528 0.004 . 1 . . . . A 72 LYS HB2 . 34748 1 943 . 1 . 1 74 74 LYS HB3 H 1 1.529 0.004 . 1 . . . . A 72 LYS HB3 . 34748 1 944 . 1 . 1 74 74 LYS HG2 H 1 1.225 0.005 . 2 . . . . A 72 LYS HG2 . 34748 1 945 . 1 . 1 74 74 LYS HG3 H 1 1.296 0.002 . 2 . . . . A 72 LYS HG3 . 34748 1 946 . 1 . 1 74 74 LYS HD2 H 1 1.475 0.000 . 2 . . . . A 72 LYS HD2 . 34748 1 947 . 1 . 1 74 74 LYS HD3 H 1 1.515 0.001 . 2 . . . . A 72 LYS HD3 . 34748 1 948 . 1 . 1 74 74 LYS HE2 H 1 2.781 0.002 . 1 . . . . A 72 LYS HE2 . 34748 1 949 . 1 . 1 74 74 LYS HE3 H 1 2.781 0.002 . 1 . . . . A 72 LYS HE3 . 34748 1 950 . 1 . 1 74 74 LYS C C 13 175.190 0.002 . 1 . . . . A 72 LYS C . 34748 1 951 . 1 . 1 74 74 LYS CA C 13 53.796 0.034 . 1 . . . . A 72 LYS CA . 34748 1 952 . 1 . 1 74 74 LYS CB C 13 36.190 0.026 . 1 . . . . A 72 LYS CB . 34748 1 953 . 1 . 1 74 74 LYS CG C 13 24.364 0.035 . 1 . . . . A 72 LYS CG . 34748 1 954 . 1 . 1 74 74 LYS CD C 13 29.538 0.001 . 1 . . . . A 72 LYS CD . 34748 1 955 . 1 . 1 74 74 LYS CE C 13 41.831 0.016 . 1 . . . . A 72 LYS CE . 34748 1 956 . 1 . 1 74 74 LYS N N 15 125.414 0.016 . 1 . . . . A 72 LYS N . 34748 1 957 . 1 . 1 75 75 ARG H H 1 8.965 0.002 . 1 . . . . A 73 ARG H . 34748 1 958 . 1 . 1 75 75 ARG HA H 1 4.488 0.004 . 1 . . . . A 73 ARG HA . 34748 1 959 . 1 . 1 75 75 ARG HB2 H 1 1.750 0.004 . 2 . . . . A 73 ARG HB2 . 34748 1 960 . 1 . 1 75 75 ARG HB3 H 1 2.029 0.001 . 2 . . . . A 73 ARG HB3 . 34748 1 961 . 1 . 1 75 75 ARG HG2 H 1 1.661 0.002 . 2 . . . . A 73 ARG HG2 . 34748 1 962 . 1 . 1 75 75 ARG HG3 H 1 1.782 0.003 . 2 . . . . A 73 ARG HG3 . 34748 1 963 . 1 . 1 75 75 ARG HD2 H 1 3.254 0.007 . 2 . . . . A 73 ARG HD2 . 34748 1 964 . 1 . 1 75 75 ARG HD3 H 1 3.277 0.005 . 2 . . . . A 73 ARG HD3 . 34748 1 965 . 1 . 1 75 75 ARG HE H 1 7.541 0.002 . 1 . . . . A 73 ARG HE . 34748 1 966 . 1 . 1 75 75 ARG C C 13 176.548 0.001 . 1 . . . . A 73 ARG C . 34748 1 967 . 1 . 1 75 75 ARG CA C 13 57.388 0.043 . 1 . . . . A 73 ARG CA . 34748 1 968 . 1 . 1 75 75 ARG CB C 13 31.212 0.037 . 1 . . . . A 73 ARG CB . 34748 1 969 . 1 . 1 75 75 ARG CG C 13 28.218 0.026 . 1 . . . . A 73 ARG CG . 34748 1 970 . 1 . 1 75 75 ARG CD C 13 43.703 0.011 . 1 . . . . A 73 ARG CD . 34748 1 971 . 1 . 1 75 75 ARG N N 15 123.082 0.012 . 1 . . . . A 73 ARG N . 34748 1 972 . 1 . 1 75 75 ARG NE N 15 84.288 0.009 . 1 . . . . A 73 ARG NE . 34748 1 973 . 1 . 1 76 76 SER H H 1 8.744 0.003 . 1 . . . . A 74 SER H . 34748 1 974 . 1 . 1 76 76 SER HA H 1 4.466 0.003 . 1 . . . . A 74 SER HA . 34748 1 975 . 1 . 1 76 76 SER HB2 H 1 3.669 0.002 . 1 . . . . A 74 SER HB2 . 34748 1 976 . 1 . 1 76 76 SER HB3 H 1 3.669 0.002 . 1 . . . . A 74 SER HB3 . 34748 1 977 . 1 . 1 76 76 SER C C 13 174.069 0.000 . 1 . . . . A 74 SER C . 34748 1 978 . 1 . 1 76 76 SER CA C 13 58.519 0.003 . 1 . . . . A 74 SER CA . 34748 1 979 . 1 . 1 76 76 SER CB C 13 64.307 0.025 . 1 . . . . A 74 SER CB . 34748 1 980 . 1 . 1 76 76 SER N N 15 120.875 0.016 . 1 . . . . A 74 SER N . 34748 1 981 . 1 . 1 77 77 ASP H H 1 8.310 0.003 . 1 . . . . A 75 ASP H . 34748 1 982 . 1 . 1 77 77 ASP HA H 1 4.611 0.002 . 1 . . . . A 75 ASP HA . 34748 1 983 . 1 . 1 77 77 ASP HB2 H 1 2.715 0.000 . 2 . . . . A 75 ASP HB2 . 34748 1 984 . 1 . 1 77 77 ASP HB3 H 1 2.781 0.000 . 2 . . . . A 75 ASP HB3 . 34748 1 985 . 1 . 1 77 77 ASP C C 13 175.730 0.004 . 1 . . . . A 75 ASP C . 34748 1 986 . 1 . 1 77 77 ASP CA C 13 54.282 0.030 . 1 . . . . A 75 ASP CA . 34748 1 987 . 1 . 1 77 77 ASP CB C 13 41.992 0.008 . 1 . . . . A 75 ASP CB . 34748 1 988 . 1 . 1 77 77 ASP N N 15 122.310 0.013 . 1 . . . . A 75 ASP N . 34748 1 989 . 1 . 1 78 78 ALA H H 1 8.357 0.002 . 1 . . . . A 76 ALA H . 34748 1 990 . 1 . 1 78 78 ALA HA H 1 4.314 0.002 . 1 . . . . A 76 ALA HA . 34748 1 991 . 1 . 1 78 78 ALA HB1 H 1 1.409 0.001 . 1 . . . . A 76 ALA HB1 . 34748 1 992 . 1 . 1 78 78 ALA HB2 H 1 1.409 0.001 . 1 . . . . A 76 ALA HB2 . 34748 1 993 . 1 . 1 78 78 ALA HB3 H 1 1.409 0.001 . 1 . . . . A 76 ALA HB3 . 34748 1 994 . 1 . 1 78 78 ALA C C 13 178.034 0.006 . 1 . . . . A 76 ALA C . 34748 1 995 . 1 . 1 78 78 ALA CA C 13 52.834 0.033 . 1 . . . . A 76 ALA CA . 34748 1 996 . 1 . 1 78 78 ALA CB C 13 19.561 0.017 . 1 . . . . A 76 ALA CB . 34748 1 997 . 1 . 1 78 78 ALA N N 15 124.789 0.013 . 1 . . . . A 76 ALA N . 34748 1 998 . 1 . 1 79 79 ARG H H 1 8.434 0.003 . 1 . . . . A 77 ARG H . 34748 1 999 . 1 . 1 79 79 ARG HA H 1 4.317 0.001 . 1 . . . . A 77 ARG HA . 34748 1 1000 . 1 . 1 79 79 ARG HB2 H 1 1.834 0.001 . 2 . . . . A 77 ARG HB2 . 34748 1 1001 . 1 . 1 79 79 ARG HB3 H 1 1.878 0.002 . 2 . . . . A 77 ARG HB3 . 34748 1 1002 . 1 . 1 79 79 ARG HG2 H 1 1.659 0.000 . 1 . . . . A 77 ARG HG2 . 34748 1 1003 . 1 . 1 79 79 ARG HG3 H 1 1.659 0.000 . 1 . . . . A 77 ARG HG3 . 34748 1 1004 . 1 . 1 79 79 ARG HD2 H 1 3.166 0.003 . 2 . . . . A 77 ARG HD2 . 34748 1 1005 . 1 . 1 79 79 ARG HD3 H 1 3.213 0.000 . 2 . . . . A 77 ARG HD3 . 34748 1 1006 . 1 . 1 79 79 ARG C C 13 176.668 0.002 . 1 . . . . A 77 ARG C . 34748 1 1007 . 1 . 1 79 79 ARG CA C 13 56.730 0.007 . 1 . . . . A 77 ARG CA . 34748 1 1008 . 1 . 1 79 79 ARG CB C 13 30.758 0.004 . 1 . . . . A 77 ARG CB . 34748 1 1009 . 1 . 1 79 79 ARG CG C 13 26.978 0.001 . 1 . . . . A 77 ARG CG . 34748 1 1010 . 1 . 1 79 79 ARG CD C 13 43.374 0.000 . 1 . . . . A 77 ARG CD . 34748 1 1011 . 1 . 1 79 79 ARG N N 15 119.004 0.011 . 1 . . . . A 77 ARG N . 34748 1 1012 . 1 . 1 80 80 THR H H 1 8.035 0.002 . 1 . . . . A 78 THR H . 34748 1 1013 . 1 . 1 80 80 THR HA H 1 4.313 0.002 . 1 . . . . A 78 THR HA . 34748 1 1014 . 1 . 1 80 80 THR HB H 1 4.148 0.002 . 1 . . . . A 78 THR HB . 34748 1 1015 . 1 . 1 80 80 THR HG21 H 1 1.173 0.001 . 1 . . . . A 78 THR HG21 . 34748 1 1016 . 1 . 1 80 80 THR HG22 H 1 1.173 0.001 . 1 . . . . A 78 THR HG22 . 34748 1 1017 . 1 . 1 80 80 THR HG23 H 1 1.173 0.001 . 1 . . . . A 78 THR HG23 . 34748 1 1018 . 1 . 1 80 80 THR C C 13 173.754 0.002 . 1 . . . . A 78 THR C . 34748 1 1019 . 1 . 1 80 80 THR CA C 13 61.803 0.016 . 1 . . . . A 78 THR CA . 34748 1 1020 . 1 . 1 80 80 THR CB C 13 69.801 0.014 . 1 . . . . A 78 THR CB . 34748 1 1021 . 1 . 1 80 80 THR CG2 C 13 21.837 0.011 . 1 . . . . A 78 THR CG2 . 34748 1 1022 . 1 . 1 80 80 THR N N 15 114.102 0.021 . 1 . . . . A 78 THR N . 34748 1 1023 . 1 . 1 81 81 ALA H H 1 8.280 0.003 . 1 . . . . A 79 ALA H . 34748 1 1024 . 1 . 1 81 81 ALA HA H 1 4.620 0.002 . 1 . . . . A 79 ALA HA . 34748 1 1025 . 1 . 1 81 81 ALA HB1 H 1 1.240 0.002 . 1 . . . . A 79 ALA HB1 . 34748 1 1026 . 1 . 1 81 81 ALA HB2 H 1 1.240 0.002 . 1 . . . . A 79 ALA HB2 . 34748 1 1027 . 1 . 1 81 81 ALA HB3 H 1 1.240 0.002 . 1 . . . . A 79 ALA HB3 . 34748 1 1028 . 1 . 1 81 81 ALA C C 13 175.440 0.000 . 1 . . . . A 79 ALA C . 34748 1 1029 . 1 . 1 81 81 ALA CA C 13 50.392 0.036 . 1 . . . . A 79 ALA CA . 34748 1 1030 . 1 . 1 81 81 ALA CB C 13 18.575 0.012 . 1 . . . . A 79 ALA CB . 34748 1 1031 . 1 . 1 81 81 ALA N N 15 127.770 0.016 . 1 . . . . A 79 ALA N . 34748 1 1032 . 1 . 1 82 82 PRO HA H 1 4.301 0.003 . 1 . . . . A 80 PRO HA . 34748 1 1033 . 1 . 1 82 82 PRO HB2 H 1 1.714 0.002 . 2 . . . . A 80 PRO HB2 . 34748 1 1034 . 1 . 1 82 82 PRO HB3 H 1 2.178 0.002 . 2 . . . . A 80 PRO HB3 . 34748 1 1035 . 1 . 1 82 82 PRO HG2 H 1 1.842 0.002 . 1 . . . . A 80 PRO HG2 . 34748 1 1036 . 1 . 1 82 82 PRO HG3 H 1 1.842 0.002 . 1 . . . . A 80 PRO HG3 . 34748 1 1037 . 1 . 1 82 82 PRO HD2 H 1 3.504 0.002 . 2 . . . . A 80 PRO HD2 . 34748 1 1038 . 1 . 1 82 82 PRO HD3 H 1 3.677 0.002 . 2 . . . . A 80 PRO HD3 . 34748 1 1039 . 1 . 1 82 82 PRO C C 13 177.058 0.000 . 1 . . . . A 80 PRO C . 34748 1 1040 . 1 . 1 82 82 PRO CA C 13 63.700 0.030 . 1 . . . . A 80 PRO CA . 34748 1 1041 . 1 . 1 82 82 PRO CB C 13 31.719 0.028 . 1 . . . . A 80 PRO CB . 34748 1 1042 . 1 . 1 82 82 PRO CG C 13 27.567 0.011 . 1 . . . . A 80 PRO CG . 34748 1 1043 . 1 . 1 82 82 PRO CD C 13 50.474 0.021 . 1 . . . . A 80 PRO CD . 34748 1 1044 . 1 . 1 83 83 HIS H H 1 8.354 0.003 . 1 . . . . A 81 HIS H . 34748 1 1045 . 1 . 1 83 83 HIS HA H 1 4.482 0.002 . 1 . . . . A 81 HIS HA . 34748 1 1046 . 1 . 1 83 83 HIS HB2 H 1 3.171 0.004 . 2 . . . . A 81 HIS HB2 . 34748 1 1047 . 1 . 1 83 83 HIS HB3 H 1 3.222 0.005 . 2 . . . . A 81 HIS HB3 . 34748 1 1048 . 1 . 1 83 83 HIS HD2 H 1 7.050 0.001 . 1 . . . . A 81 HIS HD2 . 34748 1 1049 . 1 . 1 83 83 HIS C C 13 176.206 0.013 . 1 . . . . A 81 HIS C . 34748 1 1050 . 1 . 1 83 83 HIS CA C 13 56.596 0.037 . 1 . . . . A 81 HIS CA . 34748 1 1051 . 1 . 1 83 83 HIS CB C 13 29.612 0.025 . 1 . . . . A 81 HIS CB . 34748 1 1052 . 1 . 1 83 83 HIS CD2 C 13 119.825 0.105 . 1 . . . . A 81 HIS CD2 . 34748 1 1053 . 1 . 1 83 83 HIS N N 15 117.846 0.022 . 1 . . . . A 81 HIS N . 34748 1 1054 . 1 . 1 84 84 GLY H H 1 8.283 0.006 . 1 . . . . A 82 GLY H . 34748 1 1055 . 1 . 1 84 84 GLY HA2 H 1 3.646 0.003 . 2 . . . . A 82 GLY HA2 . 34748 1 1056 . 1 . 1 84 84 GLY HA3 H 1 3.992 0.007 . 2 . . . . A 82 GLY HA3 . 34748 1 1057 . 1 . 1 84 84 GLY C C 13 173.818 0.004 . 1 . . . . A 82 GLY C . 34748 1 1058 . 1 . 1 84 84 GLY CA C 13 45.430 0.027 . 1 . . . . A 82 GLY CA . 34748 1 1059 . 1 . 1 84 84 GLY N N 15 108.817 0.024 . 1 . . . . A 82 GLY N . 34748 1 1060 . 1 . 1 85 85 HIS H H 1 8.078 0.004 . 1 . . . . A 83 HIS H . 34748 1 1061 . 1 . 1 85 85 HIS HA H 1 4.398 0.006 . 1 . . . . A 83 HIS HA . 34748 1 1062 . 1 . 1 85 85 HIS HB2 H 1 2.613 0.002 . 2 . . . . A 83 HIS HB2 . 34748 1 1063 . 1 . 1 85 85 HIS HB3 H 1 2.866 0.004 . 2 . . . . A 83 HIS HB3 . 34748 1 1064 . 1 . 1 85 85 HIS HD2 H 1 6.895 0.002 . 1 . . . . A 83 HIS HD2 . 34748 1 1065 . 1 . 1 85 85 HIS HE1 H 1 7.995 0.004 . 1 . . . . A 83 HIS HE1 . 34748 1 1066 . 1 . 1 85 85 HIS C C 13 174.318 0.012 . 1 . . . . A 83 HIS C . 34748 1 1067 . 1 . 1 85 85 HIS CA C 13 55.972 0.048 . 1 . . . . A 83 HIS CA . 34748 1 1068 . 1 . 1 85 85 HIS CB C 13 31.607 0.038 . 1 . . . . A 83 HIS CB . 34748 1 1069 . 1 . 1 85 85 HIS CD2 C 13 122.348 0.062 . 1 . . . . A 83 HIS CD2 . 34748 1 1070 . 1 . 1 85 85 HIS CE1 C 13 138.341 0.072 . 1 . . . . A 83 HIS CE1 . 34748 1 1071 . 1 . 1 85 85 HIS N N 15 119.388 0.024 . 1 . . . . A 83 HIS N . 34748 1 1072 . 1 . 1 86 86 VAL H H 1 8.075 0.006 . 1 . . . . A 84 VAL H . 34748 1 1073 . 1 . 1 86 86 VAL HA H 1 4.137 0.004 . 1 . . . . A 84 VAL HA . 34748 1 1074 . 1 . 1 86 86 VAL HB H 1 2.071 0.003 . 1 . . . . A 84 VAL HB . 34748 1 1075 . 1 . 1 86 86 VAL HG11 H 1 0.938 0.005 . 1 . . . . A 84 VAL HG11 . 34748 1 1076 . 1 . 1 86 86 VAL HG12 H 1 0.938 0.005 . 1 . . . . A 84 VAL HG12 . 34748 1 1077 . 1 . 1 86 86 VAL HG13 H 1 0.938 0.005 . 1 . . . . A 84 VAL HG13 . 34748 1 1078 . 1 . 1 86 86 VAL HG21 H 1 1.007 0.001 . 1 . . . . A 84 VAL HG21 . 34748 1 1079 . 1 . 1 86 86 VAL HG22 H 1 1.007 0.001 . 1 . . . . A 84 VAL HG22 . 34748 1 1080 . 1 . 1 86 86 VAL HG23 H 1 1.007 0.001 . 1 . . . . A 84 VAL HG23 . 34748 1 1081 . 1 . 1 86 86 VAL C C 13 175.055 0.000 . 1 . . . . A 84 VAL C . 34748 1 1082 . 1 . 1 86 86 VAL CA C 13 61.757 0.036 . 1 . . . . A 84 VAL CA . 34748 1 1083 . 1 . 1 86 86 VAL CB C 13 33.110 0.045 . 1 . . . . A 84 VAL CB . 34748 1 1084 . 1 . 1 86 86 VAL CG1 C 13 21.260 0.015 . 1 . . . . A 84 VAL CG1 . 34748 1 1085 . 1 . 1 86 86 VAL CG2 C 13 21.117 0.010 . 1 . . . . A 84 VAL CG2 . 34748 1 1086 . 1 . 1 86 86 VAL N N 15 121.650 0.023 . 1 . . . . A 84 VAL N . 34748 1 1087 . 1 . 1 87 87 MET H H 1 8.768 0.002 . 1 . . . . A 85 MET H . 34748 1 1088 . 1 . 1 87 87 MET HA H 1 5.129 0.003 . 1 . . . . A 85 MET HA . 34748 1 1089 . 1 . 1 87 87 MET HB2 H 1 1.943 0.003 . 2 . . . . A 85 MET HB2 . 34748 1 1090 . 1 . 1 87 87 MET HB3 H 1 2.208 0.003 . 2 . . . . A 85 MET HB3 . 34748 1 1091 . 1 . 1 87 87 MET HG2 H 1 2.446 0.002 . 2 . . . . A 85 MET HG2 . 34748 1 1092 . 1 . 1 87 87 MET HG3 H 1 2.481 0.004 . 2 . . . . A 85 MET HG3 . 34748 1 1093 . 1 . 1 87 87 MET HE1 H 1 1.812 0.001 . 1 . . . . A 85 MET HE1 . 34748 1 1094 . 1 . 1 87 87 MET HE2 H 1 1.812 0.001 . 1 . . . . A 85 MET HE2 . 34748 1 1095 . 1 . 1 87 87 MET HE3 H 1 1.812 0.001 . 1 . . . . A 85 MET HE3 . 34748 1 1096 . 1 . 1 87 87 MET C C 13 176.667 0.007 . 1 . . . . A 85 MET C . 34748 1 1097 . 1 . 1 87 87 MET CA C 13 55.794 0.031 . 1 . . . . A 85 MET CA . 34748 1 1098 . 1 . 1 87 87 MET CB C 13 33.551 0.042 . 1 . . . . A 85 MET CB . 34748 1 1099 . 1 . 1 87 87 MET CG C 13 32.664 0.030 . 1 . . . . A 85 MET CG . 34748 1 1100 . 1 . 1 87 87 MET CE C 13 17.397 0.014 . 1 . . . . A 85 MET CE . 34748 1 1101 . 1 . 1 87 87 MET N N 15 127.880 0.017 . 1 . . . . A 85 MET N . 34748 1 1102 . 1 . 1 88 88 VAL H H 1 8.810 0.003 . 1 . . . . A 86 VAL H . 34748 1 1103 . 1 . 1 88 88 VAL HA H 1 5.570 0.003 . 1 . . . . A 86 VAL HA . 34748 1 1104 . 1 . 1 88 88 VAL HB H 1 2.111 0.002 . 1 . . . . A 86 VAL HB . 34748 1 1105 . 1 . 1 88 88 VAL HG11 H 1 0.779 0.002 . 1 . . . . A 86 VAL HG11 . 34748 1 1106 . 1 . 1 88 88 VAL HG12 H 1 0.779 0.002 . 1 . . . . A 86 VAL HG12 . 34748 1 1107 . 1 . 1 88 88 VAL HG13 H 1 0.779 0.002 . 1 . . . . A 86 VAL HG13 . 34748 1 1108 . 1 . 1 88 88 VAL HG21 H 1 0.704 0.002 . 1 . . . . A 86 VAL HG21 . 34748 1 1109 . 1 . 1 88 88 VAL HG22 H 1 0.704 0.002 . 1 . . . . A 86 VAL HG22 . 34748 1 1110 . 1 . 1 88 88 VAL HG23 H 1 0.704 0.002 . 1 . . . . A 86 VAL HG23 . 34748 1 1111 . 1 . 1 88 88 VAL C C 13 174.220 0.003 . 1 . . . . A 86 VAL C . 34748 1 1112 . 1 . 1 88 88 VAL CA C 13 58.609 0.030 . 1 . . . . A 86 VAL CA . 34748 1 1113 . 1 . 1 88 88 VAL CB C 13 36.775 0.018 . 1 . . . . A 86 VAL CB . 34748 1 1114 . 1 . 1 88 88 VAL CG1 C 13 22.224 0.019 . 1 . . . . A 86 VAL CG1 . 34748 1 1115 . 1 . 1 88 88 VAL CG2 C 13 18.117 0.021 . 1 . . . . A 86 VAL CG2 . 34748 1 1116 . 1 . 1 88 88 VAL N N 15 117.328 0.018 . 1 . . . . A 86 VAL N . 34748 1 1117 . 1 . 1 89 89 GLU H H 1 8.938 0.003 . 1 . . . . A 87 GLU H . 34748 1 1118 . 1 . 1 89 89 GLU HA H 1 4.744 0.003 . 1 . . . . A 87 GLU HA . 34748 1 1119 . 1 . 1 89 89 GLU HB2 H 1 1.861 0.002 . 2 . . . . A 87 GLU HB2 . 34748 1 1120 . 1 . 1 89 89 GLU HB3 H 1 2.040 0.009 . 2 . . . . A 87 GLU HB3 . 34748 1 1121 . 1 . 1 89 89 GLU HG2 H 1 2.071 0.002 . 2 . . . . A 87 GLU HG2 . 34748 1 1122 . 1 . 1 89 89 GLU HG3 H 1 2.216 0.003 . 2 . . . . A 87 GLU HG3 . 34748 1 1123 . 1 . 1 89 89 GLU C C 13 174.271 0.039 . 1 . . . . A 87 GLU C . 34748 1 1124 . 1 . 1 89 89 GLU CA C 13 54.008 0.061 . 1 . . . . A 87 GLU CA . 34748 1 1125 . 1 . 1 89 89 GLU CB C 13 33.916 0.025 . 1 . . . . A 87 GLU CB . 34748 1 1126 . 1 . 1 89 89 GLU CG C 13 35.821 0.021 . 1 . . . . A 87 GLU CG . 34748 1 1127 . 1 . 1 89 89 GLU N N 15 116.877 0.014 . 1 . . . . A 87 GLU N . 34748 1 1128 . 1 . 1 90 90 LEU H H 1 8.535 0.005 . 1 . . . . A 88 LEU H . 34748 1 1129 . 1 . 1 90 90 LEU HA H 1 5.078 0.003 . 1 . . . . A 88 LEU HA . 34748 1 1130 . 1 . 1 90 90 LEU HB2 H 1 1.284 0.003 . 2 . . . . A 88 LEU HB2 . 34748 1 1131 . 1 . 1 90 90 LEU HB3 H 1 1.585 0.002 . 2 . . . . A 88 LEU HB3 . 34748 1 1132 . 1 . 1 90 90 LEU HG H 1 1.546 0.001 . 1 . . . . A 88 LEU HG . 34748 1 1133 . 1 . 1 90 90 LEU HD11 H 1 0.710 0.001 . 1 . . . . A 88 LEU HD11 . 34748 1 1134 . 1 . 1 90 90 LEU HD12 H 1 0.710 0.001 . 1 . . . . A 88 LEU HD12 . 34748 1 1135 . 1 . 1 90 90 LEU HD13 H 1 0.710 0.001 . 1 . . . . A 88 LEU HD13 . 34748 1 1136 . 1 . 1 90 90 LEU HD21 H 1 0.639 0.001 . 1 . . . . A 88 LEU HD21 . 34748 1 1137 . 1 . 1 90 90 LEU HD22 H 1 0.639 0.001 . 1 . . . . A 88 LEU HD22 . 34748 1 1138 . 1 . 1 90 90 LEU HD23 H 1 0.639 0.001 . 1 . . . . A 88 LEU HD23 . 34748 1 1139 . 1 . 1 90 90 LEU C C 13 177.157 0.013 . 1 . . . . A 88 LEU C . 34748 1 1140 . 1 . 1 90 90 LEU CA C 13 54.666 0.023 . 1 . . . . A 88 LEU CA . 34748 1 1141 . 1 . 1 90 90 LEU CB C 13 43.776 0.018 . 1 . . . . A 88 LEU CB . 34748 1 1142 . 1 . 1 90 90 LEU CG C 13 27.860 0.016 . 1 . . . . A 88 LEU CG . 34748 1 1143 . 1 . 1 90 90 LEU CD1 C 13 25.409 0.017 . 1 . . . . A 88 LEU CD1 . 34748 1 1144 . 1 . 1 90 90 LEU CD2 C 13 25.150 0.015 . 1 . . . . A 88 LEU CD2 . 34748 1 1145 . 1 . 1 90 90 LEU N N 15 121.687 0.021 . 1 . . . . A 88 LEU N . 34748 1 1146 . 1 . 1 91 91 VAL H H 1 8.730 0.005 . 1 . . . . A 89 VAL H . 34748 1 1147 . 1 . 1 91 91 VAL HA H 1 4.521 0.002 . 1 . . . . A 89 VAL HA . 34748 1 1148 . 1 . 1 91 91 VAL HB H 1 1.897 0.002 . 1 . . . . A 89 VAL HB . 34748 1 1149 . 1 . 1 91 91 VAL HG11 H 1 0.769 0.002 . 1 . . . . A 89 VAL HG11 . 34748 1 1150 . 1 . 1 91 91 VAL HG12 H 1 0.769 0.002 . 1 . . . . A 89 VAL HG12 . 34748 1 1151 . 1 . 1 91 91 VAL HG13 H 1 0.769 0.002 . 1 . . . . A 89 VAL HG13 . 34748 1 1152 . 1 . 1 91 91 VAL HG21 H 1 0.626 0.002 . 1 . . . . A 89 VAL HG21 . 34748 1 1153 . 1 . 1 91 91 VAL HG22 H 1 0.626 0.002 . 1 . . . . A 89 VAL HG22 . 34748 1 1154 . 1 . 1 91 91 VAL HG23 H 1 0.626 0.002 . 1 . . . . A 89 VAL HG23 . 34748 1 1155 . 1 . 1 91 91 VAL C C 13 173.377 0.009 . 1 . . . . A 89 VAL C . 34748 1 1156 . 1 . 1 91 91 VAL CA C 13 60.663 0.056 . 1 . . . . A 89 VAL CA . 34748 1 1157 . 1 . 1 91 91 VAL CB C 13 36.304 0.025 . 1 . . . . A 89 VAL CB . 34748 1 1158 . 1 . 1 91 91 VAL CG1 C 13 21.447 0.011 . 1 . . . . A 89 VAL CG1 . 34748 1 1159 . 1 . 1 91 91 VAL CG2 C 13 20.456 0.024 . 1 . . . . A 89 VAL CG2 . 34748 1 1160 . 1 . 1 91 91 VAL N N 15 120.018 0.024 . 1 . . . . A 89 VAL N . 34748 1 1161 . 1 . 1 92 92 ALA H H 1 8.692 0.003 . 1 . . . . A 90 ALA H . 34748 1 1162 . 1 . 1 92 92 ALA HA H 1 5.826 0.003 . 1 . . . . A 90 ALA HA . 34748 1 1163 . 1 . 1 92 92 ALA HB1 H 1 1.315 0.002 . 1 . . . . A 90 ALA HB1 . 34748 1 1164 . 1 . 1 92 92 ALA HB2 H 1 1.315 0.002 . 1 . . . . A 90 ALA HB2 . 34748 1 1165 . 1 . 1 92 92 ALA HB3 H 1 1.315 0.002 . 1 . . . . A 90 ALA HB3 . 34748 1 1166 . 1 . 1 92 92 ALA C C 13 176.643 0.000 . 1 . . . . A 90 ALA C . 34748 1 1167 . 1 . 1 92 92 ALA CA C 13 50.444 0.021 . 1 . . . . A 90 ALA CA . 34748 1 1168 . 1 . 1 92 92 ALA CB C 13 22.768 0.016 . 1 . . . . A 90 ALA CB . 34748 1 1169 . 1 . 1 92 92 ALA N N 15 126.042 0.022 . 1 . . . . A 90 ALA N . 34748 1 1170 . 1 . 1 93 93 GLU H H 1 8.856 0.002 . 1 . . . . A 91 GLU H . 34748 1 1171 . 1 . 1 93 93 GLU HA H 1 4.931 0.003 . 1 . . . . A 91 GLU HA . 34748 1 1172 . 1 . 1 93 93 GLU HB2 H 1 2.179 0.003 . 2 . . . . A 91 GLU HB2 . 34748 1 1173 . 1 . 1 93 93 GLU HB3 H 1 2.398 0.003 . 2 . . . . A 91 GLU HB3 . 34748 1 1174 . 1 . 1 93 93 GLU HG2 H 1 2.389 0.004 . 1 . . . . A 91 GLU HG2 . 34748 1 1175 . 1 . 1 93 93 GLU HG3 H 1 2.389 0.004 . 1 . . . . A 91 GLU HG3 . 34748 1 1176 . 1 . 1 93 93 GLU C C 13 175.001 0.003 . 1 . . . . A 91 GLU C . 34748 1 1177 . 1 . 1 93 93 GLU CA C 13 55.423 0.023 . 1 . . . . A 91 GLU CA . 34748 1 1178 . 1 . 1 93 93 GLU CB C 13 34.692 0.059 . 1 . . . . A 91 GLU CB . 34748 1 1179 . 1 . 1 93 93 GLU CG C 13 36.731 0.030 . 1 . . . . A 91 GLU CG . 34748 1 1180 . 1 . 1 93 93 GLU N N 15 118.465 0.015 . 1 . . . . A 91 GLU N . 34748 1 1181 . 1 . 1 94 94 LEU H H 1 8.838 0.004 . 1 . . . . A 92 LEU H . 34748 1 1182 . 1 . 1 94 94 LEU HA H 1 4.293 0.003 . 1 . . . . A 92 LEU HA . 34748 1 1183 . 1 . 1 94 94 LEU HB2 H 1 1.591 0.002 . 2 . . . . A 92 LEU HB2 . 34748 1 1184 . 1 . 1 94 94 LEU HB3 H 1 1.818 0.001 . 2 . . . . A 92 LEU HB3 . 34748 1 1185 . 1 . 1 94 94 LEU HG H 1 1.587 0.000 . 1 . . . . A 92 LEU HG . 34748 1 1186 . 1 . 1 94 94 LEU HD11 H 1 0.923 0.001 . 1 . . . . A 92 LEU HD11 . 34748 1 1187 . 1 . 1 94 94 LEU HD12 H 1 0.923 0.001 . 1 . . . . A 92 LEU HD12 . 34748 1 1188 . 1 . 1 94 94 LEU HD13 H 1 0.923 0.001 . 1 . . . . A 92 LEU HD13 . 34748 1 1189 . 1 . 1 94 94 LEU HD21 H 1 0.918 0.002 . 1 . . . . A 92 LEU HD21 . 34748 1 1190 . 1 . 1 94 94 LEU HD22 H 1 0.918 0.002 . 1 . . . . A 92 LEU HD22 . 34748 1 1191 . 1 . 1 94 94 LEU HD23 H 1 0.918 0.002 . 1 . . . . A 92 LEU HD23 . 34748 1 1192 . 1 . 1 94 94 LEU CA C 13 57.063 0.007 . 1 . . . . A 92 LEU CA . 34748 1 1193 . 1 . 1 94 94 LEU CB C 13 43.365 0.021 . 1 . . . . A 92 LEU CB . 34748 1 1194 . 1 . 1 94 94 LEU CG C 13 27.484 0.021 . 1 . . . . A 92 LEU CG . 34748 1 1195 . 1 . 1 94 94 LEU CD1 C 13 24.239 0.033 . 1 . . . . A 92 LEU CD1 . 34748 1 1196 . 1 . 1 94 94 LEU CD2 C 13 24.671 0.019 . 1 . . . . A 92 LEU CD2 . 34748 1 1197 . 1 . 1 94 94 LEU N N 15 123.872 0.020 . 1 . . . . A 92 LEU N . 34748 1 1198 . 1 . 1 95 95 GLU H H 1 8.647 0.001 . 1 . . . . A 93 GLU H . 34748 1 1199 . 1 . 1 95 95 GLU HA H 1 4.457 0.002 . 1 . . . . A 93 GLU HA . 34748 1 1200 . 1 . 1 95 95 GLU HB2 H 1 2.072 0.001 . 2 . . . . A 93 GLU HB2 . 34748 1 1201 . 1 . 1 95 95 GLU HB3 H 1 2.209 0.001 . 2 . . . . A 93 GLU HB3 . 34748 1 1202 . 1 . 1 95 95 GLU HG2 H 1 2.284 0.001 . 1 . . . . A 93 GLU HG2 . 34748 1 1203 . 1 . 1 95 95 GLU HG3 H 1 2.284 0.001 . 1 . . . . A 93 GLU HG3 . 34748 1 1204 . 1 . 1 95 95 GLU C C 13 177.393 0.000 . 1 . . . . A 93 GLU C . 34748 1 1205 . 1 . 1 95 95 GLU CA C 13 57.101 0.054 . 1 . . . . A 93 GLU CA . 34748 1 1206 . 1 . 1 95 95 GLU CB C 13 30.589 0.032 . 1 . . . . A 93 GLU CB . 34748 1 1207 . 1 . 1 95 95 GLU CG C 13 36.617 0.000 . 1 . . . . A 93 GLU CG . 34748 1 1208 . 1 . 1 95 95 GLU N N 15 116.191 0.010 . 1 . . . . A 93 GLU N . 34748 1 1209 . 1 . 1 96 96 GLY H H 1 8.223 0.011 . 1 . . . . A 94 GLY H . 34748 1 1210 . 1 . 1 96 96 GLY HA2 H 1 3.966 0.008 . 2 . . . . A 94 GLY HA2 . 34748 1 1211 . 1 . 1 96 96 GLY HA3 H 1 4.064 0.003 . 2 . . . . A 94 GLY HA3 . 34748 1 1212 . 1 . 1 96 96 GLY C C 13 174.017 0.019 . 1 . . . . A 94 GLY C . 34748 1 1213 . 1 . 1 96 96 GLY CA C 13 46.193 0.048 . 1 . . . . A 94 GLY CA . 34748 1 1214 . 1 . 1 96 96 GLY N N 15 106.355 0.037 . 1 . . . . A 94 GLY N . 34748 1 1215 . 1 . 1 97 97 ILE H H 1 7.572 0.003 . 1 . . . . A 95 ILE H . 34748 1 1216 . 1 . 1 97 97 ILE HA H 1 3.937 0.001 . 1 . . . . A 95 ILE HA . 34748 1 1217 . 1 . 1 97 97 ILE HB H 1 1.853 0.001 . 1 . . . . A 95 ILE HB . 34748 1 1218 . 1 . 1 97 97 ILE HG12 H 1 1.122 0.002 . 2 . . . . A 95 ILE HG12 . 34748 1 1219 . 1 . 1 97 97 ILE HG13 H 1 1.407 0.002 . 2 . . . . A 95 ILE HG13 . 34748 1 1220 . 1 . 1 97 97 ILE HG21 H 1 0.728 0.002 . 1 . . . . A 95 ILE HG21 . 34748 1 1221 . 1 . 1 97 97 ILE HG22 H 1 0.728 0.002 . 1 . . . . A 95 ILE HG22 . 34748 1 1222 . 1 . 1 97 97 ILE HG23 H 1 0.728 0.002 . 1 . . . . A 95 ILE HG23 . 34748 1 1223 . 1 . 1 97 97 ILE HD11 H 1 0.807 0.001 . 1 . . . . A 95 ILE HD11 . 34748 1 1224 . 1 . 1 97 97 ILE HD12 H 1 0.807 0.001 . 1 . . . . A 95 ILE HD12 . 34748 1 1225 . 1 . 1 97 97 ILE HD13 H 1 0.807 0.001 . 1 . . . . A 95 ILE HD13 . 34748 1 1226 . 1 . 1 97 97 ILE C C 13 176.253 0.000 . 1 . . . . A 95 ILE C . 34748 1 1227 . 1 . 1 97 97 ILE CA C 13 61.977 0.030 . 1 . . . . A 95 ILE CA . 34748 1 1228 . 1 . 1 97 97 ILE CB C 13 38.435 0.021 . 1 . . . . A 95 ILE CB . 34748 1 1229 . 1 . 1 97 97 ILE CG1 C 13 27.731 0.016 . 1 . . . . A 95 ILE CG1 . 34748 1 1230 . 1 . 1 97 97 ILE CG2 C 13 17.372 0.020 . 1 . . . . A 95 ILE CG2 . 34748 1 1231 . 1 . 1 97 97 ILE CD1 C 13 12.555 0.024 . 1 . . . . A 95 ILE CD1 . 34748 1 1232 . 1 . 1 97 97 ILE N N 15 119.614 0.021 . 1 . . . . A 95 ILE N . 34748 1 1233 . 1 . 1 98 98 GLN H H 1 9.256 0.000 . 1 . . . . A 96 GLN H . 34748 1 1234 . 1 . 1 98 98 GLN HA H 1 4.254 0.001 . 1 . . . . A 96 GLN HA . 34748 1 1235 . 1 . 1 98 98 GLN HB2 H 1 1.699 0.004 . 2 . . . . A 96 GLN HB2 . 34748 1 1236 . 1 . 1 98 98 GLN HB3 H 1 1.793 0.001 . 2 . . . . A 96 GLN HB3 . 34748 1 1237 . 1 . 1 98 98 GLN HG2 H 1 1.917 0.002 . 2 . . . . A 96 GLN HG2 . 34748 1 1238 . 1 . 1 98 98 GLN HG3 H 1 2.137 0.005 . 2 . . . . A 96 GLN HG3 . 34748 1 1239 . 1 . 1 98 98 GLN HE21 H 1 6.770 0.002 . 1 . . . . A 96 GLN HE21 . 34748 1 1240 . 1 . 1 98 98 GLN HE22 H 1 7.431 0.002 . 1 . . . . A 96 GLN HE22 . 34748 1 1241 . 1 . 1 98 98 GLN C C 13 177.053 0.000 . 1 . . . . A 96 GLN C . 34748 1 1242 . 1 . 1 98 98 GLN CA C 13 56.751 0.003 . 1 . . . . A 96 GLN CA . 34748 1 1243 . 1 . 1 98 98 GLN CB C 13 29.065 0.029 . 1 . . . . A 96 GLN CB . 34748 1 1244 . 1 . 1 98 98 GLN CG C 13 33.758 0.030 . 1 . . . . A 96 GLN CG . 34748 1 1245 . 1 . 1 98 98 GLN CD C 13 180.034 0.008 . 1 . . . . A 96 GLN CD . 34748 1 1246 . 1 . 1 98 98 GLN NE2 N 15 111.855 0.001 . 1 . . . . A 96 GLN NE2 . 34748 1 1247 . 1 . 1 99 99 TYR H H 1 8.882 0.007 . 1 . . . . A 97 TYR H . 34748 1 1248 . 1 . 1 99 99 TYR HA H 1 4.338 0.003 . 1 . . . . A 97 TYR HA . 34748 1 1249 . 1 . 1 99 99 TYR HB2 H 1 2.372 0.006 . 2 . . . . A 97 TYR HB2 . 34748 1 1250 . 1 . 1 99 99 TYR HB3 H 1 2.561 0.006 . 2 . . . . A 97 TYR HB3 . 34748 1 1251 . 1 . 1 99 99 TYR HD1 H 1 6.959 0.002 . 1 . . . . A 97 TYR HD1 . 34748 1 1252 . 1 . 1 99 99 TYR HD2 H 1 6.959 0.002 . 1 . . . . A 97 TYR HD2 . 34748 1 1253 . 1 . 1 99 99 TYR HE1 H 1 6.715 0.002 . 1 . . . . A 97 TYR HE1 . 34748 1 1254 . 1 . 1 99 99 TYR HE2 H 1 6.715 0.002 . 1 . . . . A 97 TYR HE2 . 34748 1 1255 . 1 . 1 99 99 TYR C C 13 176.792 0.009 . 1 . . . . A 97 TYR C . 34748 1 1256 . 1 . 1 99 99 TYR CA C 13 58.522 0.014 . 1 . . . . A 97 TYR CA . 34748 1 1257 . 1 . 1 99 99 TYR CB C 13 37.753 0.040 . 1 . . . . A 97 TYR CB . 34748 1 1258 . 1 . 1 99 99 TYR CD1 C 13 133.028 0.040 . 1 . . . . A 97 TYR CD1 . 34748 1 1259 . 1 . 1 99 99 TYR CD2 C 13 133.028 0.040 . 1 . . . . A 97 TYR CD2 . 34748 1 1260 . 1 . 1 99 99 TYR CE1 C 13 118.017 0.037 . 1 . . . . A 97 TYR CE1 . 34748 1 1261 . 1 . 1 99 99 TYR CE2 C 13 118.017 0.037 . 1 . . . . A 97 TYR CE2 . 34748 1 1262 . 1 . 1 99 99 TYR N N 15 120.465 0.039 . 1 . . . . A 97 TYR N . 34748 1 1263 . 1 . 1 100 100 GLY H H 1 7.938 0.005 . 1 . . . . A 98 GLY H . 34748 1 1264 . 1 . 1 100 100 GLY HA2 H 1 3.687 0.002 . 2 . . . . A 98 GLY HA2 . 34748 1 1265 . 1 . 1 100 100 GLY HA3 H 1 3.935 0.006 . 2 . . . . A 98 GLY HA3 . 34748 1 1266 . 1 . 1 100 100 GLY C C 13 173.661 0.005 . 1 . . . . A 98 GLY C . 34748 1 1267 . 1 . 1 100 100 GLY CA C 13 46.098 0.017 . 1 . . . . A 98 GLY CA . 34748 1 1268 . 1 . 1 100 100 GLY N N 15 108.979 0.022 . 1 . . . . A 98 GLY N . 34748 1 1269 . 1 . 1 101 101 ARG H H 1 7.835 0.006 . 1 . . . . A 99 ARG H . 34748 1 1270 . 1 . 1 101 101 ARG HA H 1 4.396 0.003 . 1 . . . . A 99 ARG HA . 34748 1 1271 . 1 . 1 101 101 ARG HB2 H 1 1.667 0.001 . 2 . . . . A 99 ARG HB2 . 34748 1 1272 . 1 . 1 101 101 ARG HB3 H 1 1.889 0.000 . 2 . . . . A 99 ARG HB3 . 34748 1 1273 . 1 . 1 101 101 ARG HG2 H 1 1.577 0.000 . 1 . . . . A 99 ARG HG2 . 34748 1 1274 . 1 . 1 101 101 ARG HG3 H 1 1.576 0.003 . 1 . . . . A 99 ARG HG3 . 34748 1 1275 . 1 . 1 101 101 ARG HD2 H 1 3.152 0.002 . 1 . . . . A 99 ARG HD2 . 34748 1 1276 . 1 . 1 101 101 ARG HD3 H 1 3.152 0.002 . 1 . . . . A 99 ARG HD3 . 34748 1 1277 . 1 . 1 101 101 ARG C C 13 176.198 0.001 . 1 . . . . A 99 ARG C . 34748 1 1278 . 1 . 1 101 101 ARG CA C 13 55.625 0.016 . 1 . . . . A 99 ARG CA . 34748 1 1279 . 1 . 1 101 101 ARG CB C 13 30.794 0.021 . 1 . . . . A 99 ARG CB . 34748 1 1280 . 1 . 1 101 101 ARG CG C 13 27.117 0.000 . 1 . . . . A 99 ARG CG . 34748 1 1281 . 1 . 1 101 101 ARG CD C 13 43.380 0.001 . 1 . . . . A 99 ARG CD . 34748 1 1282 . 1 . 1 101 101 ARG N N 15 118.658 0.020 . 1 . . . . A 99 ARG N . 34748 1 1283 . 1 . 1 102 102 SER H H 1 7.865 0.011 . 1 . . . . A 100 SER H . 34748 1 1284 . 1 . 1 102 102 SER HA H 1 4.391 0.001 . 1 . . . . A 100 SER HA . 34748 1 1285 . 1 . 1 102 102 SER HB2 H 1 3.875 0.000 . 2 . . . . A 100 SER HB2 . 34748 1 1286 . 1 . 1 102 102 SER HB3 H 1 3.904 0.000 . 2 . . . . A 100 SER HB3 . 34748 1 1287 . 1 . 1 102 102 SER C C 13 175.753 0.000 . 1 . . . . A 100 SER C . 34748 1 1288 . 1 . 1 102 102 SER CA C 13 58.349 0.009 . 1 . . . . A 100 SER CA . 34748 1 1289 . 1 . 1 102 102 SER CB C 13 63.741 0.005 . 1 . . . . A 100 SER CB . 34748 1 1290 . 1 . 1 102 102 SER N N 15 115.694 0.026 . 1 . . . . A 100 SER N . 34748 1 1291 . 1 . 1 103 103 GLY H H 1 8.690 0.010 . 1 . . . . A 101 GLY H . 34748 1 1292 . 1 . 1 103 103 GLY HA2 H 1 4.007 0.001 . 2 . . . . A 101 GLY HA2 . 34748 1 1293 . 1 . 1 103 103 GLY HA3 H 1 4.055 0.001 . 2 . . . . A 101 GLY HA3 . 34748 1 1294 . 1 . 1 103 103 GLY CA C 13 45.712 0.001 . 1 . . . . A 101 GLY CA . 34748 1 1295 . 1 . 1 103 103 GLY N N 15 112.791 0.009 . 1 . . . . A 101 GLY N . 34748 1 1296 . 1 . 1 104 104 GLU H H 1 8.332 0.003 . 1 . . . . A 102 GLU H . 34748 1 1297 . 1 . 1 104 104 GLU HA H 1 4.281 0.005 . 1 . . . . A 102 GLU HA . 34748 1 1298 . 1 . 1 104 104 GLU HB2 H 1 1.969 0.002 . 2 . . . . A 102 GLU HB2 . 34748 1 1299 . 1 . 1 104 104 GLU HB3 H 1 2.157 0.002 . 2 . . . . A 102 GLU HB3 . 34748 1 1300 . 1 . 1 104 104 GLU HG2 H 1 2.172 0.000 . 2 . . . . A 102 GLU HG2 . 34748 1 1301 . 1 . 1 104 104 GLU HG3 H 1 2.283 0.000 . 2 . . . . A 102 GLU HG3 . 34748 1 1302 . 1 . 1 104 104 GLU C C 13 176.470 0.000 . 1 . . . . A 102 GLU C . 34748 1 1303 . 1 . 1 104 104 GLU CA C 13 56.845 0.005 . 1 . . . . A 102 GLU CA . 34748 1 1304 . 1 . 1 104 104 GLU CB C 13 30.498 0.026 . 1 . . . . A 102 GLU CB . 34748 1 1305 . 1 . 1 104 104 GLU CG C 13 36.358 0.001 . 1 . . . . A 102 GLU CG . 34748 1 1306 . 1 . 1 104 104 GLU N N 15 119.032 0.018 . 1 . . . . A 102 GLU N . 34748 1 1307 . 1 . 1 105 105 THR H H 1 8.103 0.000 . 1 . . . . A 103 THR H . 34748 1 1308 . 1 . 1 105 105 THR HA H 1 4.334 0.004 . 1 . . . . A 103 THR HA . 34748 1 1309 . 1 . 1 105 105 THR HB H 1 4.137 0.003 . 1 . . . . A 103 THR HB . 34748 1 1310 . 1 . 1 105 105 THR HG21 H 1 1.015 0.003 . 1 . . . . A 103 THR HG21 . 34748 1 1311 . 1 . 1 105 105 THR HG22 H 1 1.015 0.003 . 1 . . . . A 103 THR HG22 . 34748 1 1312 . 1 . 1 105 105 THR HG23 H 1 1.015 0.003 . 1 . . . . A 103 THR HG23 . 34748 1 1313 . 1 . 1 105 105 THR C C 13 174.284 0.000 . 1 . . . . A 103 THR C . 34748 1 1314 . 1 . 1 105 105 THR CA C 13 63.153 0.045 . 1 . . . . A 103 THR CA . 34748 1 1315 . 1 . 1 105 105 THR CB C 13 69.248 0.038 . 1 . . . . A 103 THR CB . 34748 1 1316 . 1 . 1 105 105 THR CG2 C 13 23.008 0.021 . 1 . . . . A 103 THR CG2 . 34748 1 1317 . 1 . 1 105 105 THR N N 15 117.895 0.007 . 1 . . . . A 103 THR N . 34748 1 1318 . 1 . 1 106 106 LEU H H 1 9.025 0.003 . 1 . . . . A 104 LEU H . 34748 1 1319 . 1 . 1 106 106 LEU HA H 1 4.500 0.003 . 1 . . . . A 104 LEU HA . 34748 1 1320 . 1 . 1 106 106 LEU HB2 H 1 1.397 0.004 . 2 . . . . A 104 LEU HB2 . 34748 1 1321 . 1 . 1 106 106 LEU HB3 H 1 1.576 0.004 . 2 . . . . A 104 LEU HB3 . 34748 1 1322 . 1 . 1 106 106 LEU HG H 1 1.700 0.001 . 1 . . . . A 104 LEU HG . 34748 1 1323 . 1 . 1 106 106 LEU HD11 H 1 0.783 0.002 . 1 . . . . A 104 LEU HD11 . 34748 1 1324 . 1 . 1 106 106 LEU HD12 H 1 0.783 0.002 . 1 . . . . A 104 LEU HD12 . 34748 1 1325 . 1 . 1 106 106 LEU HD13 H 1 0.783 0.002 . 1 . . . . A 104 LEU HD13 . 34748 1 1326 . 1 . 1 106 106 LEU HD21 H 1 0.752 0.001 . 1 . . . . A 104 LEU HD21 . 34748 1 1327 . 1 . 1 106 106 LEU HD22 H 1 0.752 0.001 . 1 . . . . A 104 LEU HD22 . 34748 1 1328 . 1 . 1 106 106 LEU HD23 H 1 0.752 0.001 . 1 . . . . A 104 LEU HD23 . 34748 1 1329 . 1 . 1 106 106 LEU C C 13 177.161 0.005 . 1 . . . . A 104 LEU C . 34748 1 1330 . 1 . 1 106 106 LEU CA C 13 56.232 0.013 . 1 . . . . A 104 LEU CA . 34748 1 1331 . 1 . 1 106 106 LEU CB C 13 42.887 0.027 . 1 . . . . A 104 LEU CB . 34748 1 1332 . 1 . 1 106 106 LEU CG C 13 28.851 0.031 . 1 . . . . A 104 LEU CG . 34748 1 1333 . 1 . 1 106 106 LEU CD1 C 13 25.655 0.012 . 1 . . . . A 104 LEU CD1 . 34748 1 1334 . 1 . 1 106 106 LEU CD2 C 13 24.342 0.016 . 1 . . . . A 104 LEU CD2 . 34748 1 1335 . 1 . 1 106 106 LEU N N 15 126.759 0.012 . 1 . . . . A 104 LEU N . 34748 1 1336 . 1 . 1 107 107 GLY H H 1 7.434 0.002 . 1 . . . . A 105 GLY H . 34748 1 1337 . 1 . 1 107 107 GLY HA2 H 1 4.088 0.006 . 2 . . . . A 105 GLY HA2 . 34748 1 1338 . 1 . 1 107 107 GLY HA3 H 1 4.238 0.004 . 2 . . . . A 105 GLY HA3 . 34748 1 1339 . 1 . 1 107 107 GLY C C 13 170.076 0.005 . 1 . . . . A 105 GLY C . 34748 1 1340 . 1 . 1 107 107 GLY CA C 13 45.459 0.035 . 1 . . . . A 105 GLY CA . 34748 1 1341 . 1 . 1 107 107 GLY N N 15 103.930 0.019 . 1 . . . . A 105 GLY N . 34748 1 1342 . 1 . 1 108 108 VAL H H 1 9.161 0.002 . 1 . . . . A 106 VAL H . 34748 1 1343 . 1 . 1 108 108 VAL HA H 1 4.749 0.006 . 1 . . . . A 106 VAL HA . 34748 1 1344 . 1 . 1 108 108 VAL HB H 1 1.610 0.004 . 1 . . . . A 106 VAL HB . 34748 1 1345 . 1 . 1 108 108 VAL HG11 H 1 0.858 0.004 . 1 . . . . A 106 VAL HG11 . 34748 1 1346 . 1 . 1 108 108 VAL HG12 H 1 0.858 0.004 . 1 . . . . A 106 VAL HG12 . 34748 1 1347 . 1 . 1 108 108 VAL HG13 H 1 0.858 0.004 . 1 . . . . A 106 VAL HG13 . 34748 1 1348 . 1 . 1 108 108 VAL HG21 H 1 0.570 0.002 . 1 . . . . A 106 VAL HG21 . 34748 1 1349 . 1 . 1 108 108 VAL HG22 H 1 0.570 0.002 . 1 . . . . A 106 VAL HG22 . 34748 1 1350 . 1 . 1 108 108 VAL HG23 H 1 0.570 0.002 . 1 . . . . A 106 VAL HG23 . 34748 1 1351 . 1 . 1 108 108 VAL C C 13 174.696 0.009 . 1 . . . . A 106 VAL C . 34748 1 1352 . 1 . 1 108 108 VAL CA C 13 59.925 0.032 . 1 . . . . A 106 VAL CA . 34748 1 1353 . 1 . 1 108 108 VAL CB C 13 34.725 0.033 . 1 . . . . A 106 VAL CB . 34748 1 1354 . 1 . 1 108 108 VAL CG1 C 13 22.025 0.016 . 1 . . . . A 106 VAL CG1 . 34748 1 1355 . 1 . 1 108 108 VAL CG2 C 13 22.393 0.023 . 1 . . . . A 106 VAL CG2 . 34748 1 1356 . 1 . 1 108 108 VAL N N 15 121.031 0.011 . 1 . . . . A 106 VAL N . 34748 1 1357 . 1 . 1 109 109 LEU H H 1 8.996 0.002 . 1 . . . . A 107 LEU H . 34748 1 1358 . 1 . 1 109 109 LEU HA H 1 5.293 0.002 . 1 . . . . A 107 LEU HA . 34748 1 1359 . 1 . 1 109 109 LEU HB2 H 1 1.514 0.002 . 2 . . . . A 107 LEU HB2 . 34748 1 1360 . 1 . 1 109 109 LEU HB3 H 1 1.665 0.003 . 2 . . . . A 107 LEU HB3 . 34748 1 1361 . 1 . 1 109 109 LEU HG H 1 1.631 0.000 . 1 . . . . A 107 LEU HG . 34748 1 1362 . 1 . 1 109 109 LEU HD11 H 1 0.830 0.001 . 1 . . . . A 107 LEU HD11 . 34748 1 1363 . 1 . 1 109 109 LEU HD12 H 1 0.830 0.001 . 1 . . . . A 107 LEU HD12 . 34748 1 1364 . 1 . 1 109 109 LEU HD13 H 1 0.830 0.001 . 1 . . . . A 107 LEU HD13 . 34748 1 1365 . 1 . 1 109 109 LEU HD21 H 1 0.812 0.002 . 1 . . . . A 107 LEU HD21 . 34748 1 1366 . 1 . 1 109 109 LEU HD22 H 1 0.812 0.002 . 1 . . . . A 107 LEU HD22 . 34748 1 1367 . 1 . 1 109 109 LEU HD23 H 1 0.812 0.002 . 1 . . . . A 107 LEU HD23 . 34748 1 1368 . 1 . 1 109 109 LEU C C 13 174.945 0.003 . 1 . . . . A 107 LEU C . 34748 1 1369 . 1 . 1 109 109 LEU CA C 13 53.519 0.033 . 1 . . . . A 107 LEU CA . 34748 1 1370 . 1 . 1 109 109 LEU CB C 13 43.529 0.030 . 1 . . . . A 107 LEU CB . 34748 1 1371 . 1 . 1 109 109 LEU CG C 13 27.085 0.001 . 1 . . . . A 107 LEU CG . 34748 1 1372 . 1 . 1 109 109 LEU CD1 C 13 26.211 0.013 . 1 . . . . A 107 LEU CD1 . 34748 1 1373 . 1 . 1 109 109 LEU CD2 C 13 23.697 0.037 . 1 . . . . A 107 LEU CD2 . 34748 1 1374 . 1 . 1 109 109 LEU N N 15 126.542 0.018 . 1 . . . . A 107 LEU N . 34748 1 1375 . 1 . 1 110 110 VAL H H 1 8.341 0.003 . 1 . . . . A 108 VAL H . 34748 1 1376 . 1 . 1 110 110 VAL HA H 1 3.968 0.005 . 1 . . . . A 108 VAL HA . 34748 1 1377 . 1 . 1 110 110 VAL HB H 1 2.220 0.003 . 1 . . . . A 108 VAL HB . 34748 1 1378 . 1 . 1 110 110 VAL HG11 H 1 0.626 0.001 . 1 . . . . A 108 VAL HG11 . 34748 1 1379 . 1 . 1 110 110 VAL HG12 H 1 0.626 0.001 . 1 . . . . A 108 VAL HG12 . 34748 1 1380 . 1 . 1 110 110 VAL HG13 H 1 0.626 0.001 . 1 . . . . A 108 VAL HG13 . 34748 1 1381 . 1 . 1 110 110 VAL HG21 H 1 0.476 0.002 . 1 . . . . A 108 VAL HG21 . 34748 1 1382 . 1 . 1 110 110 VAL HG22 H 1 0.476 0.002 . 1 . . . . A 108 VAL HG22 . 34748 1 1383 . 1 . 1 110 110 VAL HG23 H 1 0.476 0.002 . 1 . . . . A 108 VAL HG23 . 34748 1 1384 . 1 . 1 110 110 VAL C C 13 172.483 0.000 . 1 . . . . A 108 VAL C . 34748 1 1385 . 1 . 1 110 110 VAL CA C 13 58.093 0.032 . 1 . . . . A 108 VAL CA . 34748 1 1386 . 1 . 1 110 110 VAL CB C 13 33.370 0.029 . 1 . . . . A 108 VAL CB . 34748 1 1387 . 1 . 1 110 110 VAL CG1 C 13 23.435 0.016 . 1 . . . . A 108 VAL CG1 . 34748 1 1388 . 1 . 1 110 110 VAL CG2 C 13 17.842 0.022 . 1 . . . . A 108 VAL CG2 . 34748 1 1389 . 1 . 1 110 110 VAL N N 15 113.367 0.014 . 1 . . . . A 108 VAL N . 34748 1 1390 . 1 . 1 111 111 PRO HA H 1 4.201 0.003 . 1 . . . . A 109 PRO HA . 34748 1 1391 . 1 . 1 111 111 PRO HB2 H 1 1.647 0.003 . 2 . . . . A 109 PRO HB2 . 34748 1 1392 . 1 . 1 111 111 PRO HB3 H 1 2.019 0.003 . 2 . . . . A 109 PRO HB3 . 34748 1 1393 . 1 . 1 111 111 PRO HG2 H 1 1.074 0.004 . 2 . . . . A 109 PRO HG2 . 34748 1 1394 . 1 . 1 111 111 PRO HG3 H 1 1.661 0.003 . 2 . . . . A 109 PRO HG3 . 34748 1 1395 . 1 . 1 111 111 PRO HD2 H 1 1.390 0.004 . 2 . . . . A 109 PRO HD2 . 34748 1 1396 . 1 . 1 111 111 PRO HD3 H 1 3.210 0.004 . 2 . . . . A 109 PRO HD3 . 34748 1 1397 . 1 . 1 111 111 PRO C C 13 173.349 0.000 . 1 . . . . A 109 PRO C . 34748 1 1398 . 1 . 1 111 111 PRO CA C 13 63.558 0.025 . 1 . . . . A 109 PRO CA . 34748 1 1399 . 1 . 1 111 111 PRO CB C 13 31.503 0.045 . 1 . . . . A 109 PRO CB . 34748 1 1400 . 1 . 1 111 111 PRO CG C 13 27.673 0.030 . 1 . . . . A 109 PRO CG . 34748 1 1401 . 1 . 1 111 111 PRO CD C 13 48.517 0.041 . 1 . . . . A 109 PRO CD . 34748 1 1402 . 1 . 1 112 112 HIS H H 1 8.031 0.002 . 1 . . . . A 110 HIS H . 34748 1 1403 . 1 . 1 112 112 HIS HA H 1 5.103 0.003 . 1 . . . . A 110 HIS HA . 34748 1 1404 . 1 . 1 112 112 HIS HB2 H 1 2.475 0.003 . 2 . . . . A 110 HIS HB2 . 34748 1 1405 . 1 . 1 112 112 HIS HB3 H 1 2.869 0.004 . 2 . . . . A 110 HIS HB3 . 34748 1 1406 . 1 . 1 112 112 HIS HD2 H 1 8.069 0.002 . 1 . . . . A 110 HIS HD2 . 34748 1 1407 . 1 . 1 112 112 HIS HE1 H 1 8.065 0.000 . 1 . . . . A 110 HIS HE1 . 34748 1 1408 . 1 . 1 112 112 HIS C C 13 175.483 0.007 . 1 . . . . A 110 HIS C . 34748 1 1409 . 1 . 1 112 112 HIS CA C 13 53.039 0.036 . 1 . . . . A 110 HIS CA . 34748 1 1410 . 1 . 1 112 112 HIS CB C 13 32.917 0.038 . 1 . . . . A 110 HIS CB . 34748 1 1411 . 1 . 1 112 112 HIS CD2 C 13 119.033 0.012 . 1 . . . . A 110 HIS CD2 . 34748 1 1412 . 1 . 1 112 112 HIS CE1 C 13 137.582 0.000 . 1 . . . . A 110 HIS CE1 . 34748 1 1413 . 1 . 1 112 112 HIS N N 15 120.582 0.021 . 1 . . . . A 110 HIS N . 34748 1 1414 . 1 . 1 113 113 VAL H H 1 10.384 0.004 . 1 . . . . A 111 VAL H . 34748 1 1415 . 1 . 1 113 113 VAL HA H 1 4.313 0.002 . 1 . . . . A 111 VAL HA . 34748 1 1416 . 1 . 1 113 113 VAL HB H 1 2.283 0.003 . 1 . . . . A 111 VAL HB . 34748 1 1417 . 1 . 1 113 113 VAL HG11 H 1 0.888 0.003 . 1 . . . . A 111 VAL HG11 . 34748 1 1418 . 1 . 1 113 113 VAL HG12 H 1 0.888 0.003 . 1 . . . . A 111 VAL HG12 . 34748 1 1419 . 1 . 1 113 113 VAL HG13 H 1 0.888 0.003 . 1 . . . . A 111 VAL HG13 . 34748 1 1420 . 1 . 1 113 113 VAL HG21 H 1 0.945 0.003 . 1 . . . . A 111 VAL HG21 . 34748 1 1421 . 1 . 1 113 113 VAL HG22 H 1 0.945 0.003 . 1 . . . . A 111 VAL HG22 . 34748 1 1422 . 1 . 1 113 113 VAL HG23 H 1 0.945 0.003 . 1 . . . . A 111 VAL HG23 . 34748 1 1423 . 1 . 1 113 113 VAL C C 13 175.498 0.000 . 1 . . . . A 111 VAL C . 34748 1 1424 . 1 . 1 113 113 VAL CA C 13 60.589 0.016 . 1 . . . . A 111 VAL CA . 34748 1 1425 . 1 . 1 113 113 VAL CB C 13 31.817 0.052 . 1 . . . . A 111 VAL CB . 34748 1 1426 . 1 . 1 113 113 VAL CG1 C 13 21.815 0.022 . 1 . . . . A 111 VAL CG1 . 34748 1 1427 . 1 . 1 113 113 VAL CG2 C 13 20.511 0.025 . 1 . . . . A 111 VAL CG2 . 34748 1 1428 . 1 . 1 113 113 VAL N N 15 130.695 0.026 . 1 . . . . A 111 VAL N . 34748 1 1429 . 1 . 1 114 114 GLY H H 1 6.730 0.008 . 1 . . . . A 112 GLY H . 34748 1 1430 . 1 . 1 114 114 GLY HA2 H 1 3.469 0.003 . 2 . . . . A 112 GLY HA2 . 34748 1 1431 . 1 . 1 114 114 GLY HA3 H 1 4.089 0.005 . 2 . . . . A 112 GLY HA3 . 34748 1 1432 . 1 . 1 114 114 GLY C C 13 174.917 0.000 . 1 . . . . A 112 GLY C . 34748 1 1433 . 1 . 1 114 114 GLY CA C 13 45.150 0.021 . 1 . . . . A 112 GLY CA . 34748 1 1434 . 1 . 1 114 114 GLY N N 15 107.426 0.019 . 1 . . . . A 112 GLY N . 34748 1 1435 . 1 . 1 115 115 GLU H H 1 10.563 0.005 . 1 . . . . A 113 GLU H . 34748 1 1436 . 1 . 1 115 115 GLU HA H 1 4.122 0.004 . 1 . . . . A 113 GLU HA . 34748 1 1437 . 1 . 1 115 115 GLU HB2 H 1 2.007 0.001 . 2 . . . . A 113 GLU HB2 . 34748 1 1438 . 1 . 1 115 115 GLU HB3 H 1 2.092 0.006 . 2 . . . . A 113 GLU HB3 . 34748 1 1439 . 1 . 1 115 115 GLU HG2 H 1 2.273 0.002 . 2 . . . . A 113 GLU HG2 . 34748 1 1440 . 1 . 1 115 115 GLU HG3 H 1 2.489 0.006 . 2 . . . . A 113 GLU HG3 . 34748 1 1441 . 1 . 1 115 115 GLU C C 13 177.278 0.002 . 1 . . . . A 113 GLU C . 34748 1 1442 . 1 . 1 115 115 GLU CA C 13 58.909 0.037 . 1 . . . . A 113 GLU CA . 34748 1 1443 . 1 . 1 115 115 GLU CB C 13 29.430 0.035 . 1 . . . . A 113 GLU CB . 34748 1 1444 . 1 . 1 115 115 GLU CG C 13 37.167 0.053 . 1 . . . . A 113 GLU CG . 34748 1 1445 . 1 . 1 115 115 GLU N N 15 124.338 0.023 . 1 . . . . A 113 GLU N . 34748 1 1446 . 1 . 1 116 116 ILE H H 1 9.061 0.003 . 1 . . . . A 114 ILE H . 34748 1 1447 . 1 . 1 116 116 ILE HA H 1 4.362 0.002 . 1 . . . . A 114 ILE HA . 34748 1 1448 . 1 . 1 116 116 ILE HB H 1 1.977 0.002 . 1 . . . . A 114 ILE HB . 34748 1 1449 . 1 . 1 116 116 ILE HG12 H 1 1.402 0.002 . 2 . . . . A 114 ILE HG12 . 34748 1 1450 . 1 . 1 116 116 ILE HG13 H 1 1.633 0.001 . 2 . . . . A 114 ILE HG13 . 34748 1 1451 . 1 . 1 116 116 ILE HG21 H 1 0.951 0.002 . 1 . . . . A 114 ILE HG21 . 34748 1 1452 . 1 . 1 116 116 ILE HG22 H 1 0.951 0.002 . 1 . . . . A 114 ILE HG22 . 34748 1 1453 . 1 . 1 116 116 ILE HG23 H 1 0.951 0.002 . 1 . . . . A 114 ILE HG23 . 34748 1 1454 . 1 . 1 116 116 ILE HD11 H 1 0.895 0.001 . 1 . . . . A 114 ILE HD11 . 34748 1 1455 . 1 . 1 116 116 ILE HD12 H 1 0.895 0.001 . 1 . . . . A 114 ILE HD12 . 34748 1 1456 . 1 . 1 116 116 ILE HD13 H 1 0.895 0.001 . 1 . . . . A 114 ILE HD13 . 34748 1 1457 . 1 . 1 116 116 ILE C C 13 174.868 0.000 . 1 . . . . A 114 ILE C . 34748 1 1458 . 1 . 1 116 116 ILE CA C 13 58.605 0.047 . 1 . . . . A 114 ILE CA . 34748 1 1459 . 1 . 1 116 116 ILE CB C 13 37.259 0.012 . 1 . . . . A 114 ILE CB . 34748 1 1460 . 1 . 1 116 116 ILE CG1 C 13 27.464 0.029 . 1 . . . . A 114 ILE CG1 . 34748 1 1461 . 1 . 1 116 116 ILE CG2 C 13 16.846 0.010 . 1 . . . . A 114 ILE CG2 . 34748 1 1462 . 1 . 1 116 116 ILE CD1 C 13 11.323 0.012 . 1 . . . . A 114 ILE CD1 . 34748 1 1463 . 1 . 1 116 116 ILE N N 15 125.971 0.019 . 1 . . . . A 114 ILE N . 34748 1 1464 . 1 . 1 117 117 PRO HA H 1 4.580 0.004 . 1 . . . . A 115 PRO HA . 34748 1 1465 . 1 . 1 117 117 PRO HB2 H 1 1.584 0.004 . 2 . . . . A 115 PRO HB2 . 34748 1 1466 . 1 . 1 117 117 PRO HB3 H 1 1.833 0.006 . 2 . . . . A 115 PRO HB3 . 34748 1 1467 . 1 . 1 117 117 PRO HG2 H 1 1.505 0.004 . 2 . . . . A 115 PRO HG2 . 34748 1 1468 . 1 . 1 117 117 PRO HG3 H 1 2.088 0.003 . 2 . . . . A 115 PRO HG3 . 34748 1 1469 . 1 . 1 117 117 PRO HD2 H 1 3.645 0.004 . 2 . . . . A 115 PRO HD2 . 34748 1 1470 . 1 . 1 117 117 PRO HD3 H 1 4.526 0.004 . 2 . . . . A 115 PRO HD3 . 34748 1 1471 . 1 . 1 117 117 PRO C C 13 177.402 0.000 . 1 . . . . A 115 PRO C . 34748 1 1472 . 1 . 1 117 117 PRO CA C 13 62.297 0.047 . 1 . . . . A 115 PRO CA . 34748 1 1473 . 1 . 1 117 117 PRO CB C 13 33.099 0.028 . 1 . . . . A 115 PRO CB . 34748 1 1474 . 1 . 1 117 117 PRO CG C 13 28.128 0.043 . 1 . . . . A 115 PRO CG . 34748 1 1475 . 1 . 1 117 117 PRO CD C 13 51.596 0.023 . 1 . . . . A 115 PRO CD . 34748 1 1476 . 1 . 1 118 118 VAL H H 1 8.836 0.003 . 1 . . . . A 116 VAL H . 34748 1 1477 . 1 . 1 118 118 VAL HA H 1 4.307 0.001 . 1 . . . . A 116 VAL HA . 34748 1 1478 . 1 . 1 118 118 VAL HB H 1 2.197 0.002 . 1 . . . . A 116 VAL HB . 34748 1 1479 . 1 . 1 118 118 VAL HG11 H 1 0.938 0.001 . 1 . . . . A 116 VAL HG11 . 34748 1 1480 . 1 . 1 118 118 VAL HG12 H 1 0.938 0.001 . 1 . . . . A 116 VAL HG12 . 34748 1 1481 . 1 . 1 118 118 VAL HG13 H 1 0.938 0.001 . 1 . . . . A 116 VAL HG13 . 34748 1 1482 . 1 . 1 118 118 VAL HG21 H 1 0.732 0.001 . 1 . . . . A 116 VAL HG21 . 34748 1 1483 . 1 . 1 118 118 VAL HG22 H 1 0.732 0.001 . 1 . . . . A 116 VAL HG22 . 34748 1 1484 . 1 . 1 118 118 VAL HG23 H 1 0.732 0.001 . 1 . . . . A 116 VAL HG23 . 34748 1 1485 . 1 . 1 118 118 VAL C C 13 175.658 0.006 . 1 . . . . A 116 VAL C . 34748 1 1486 . 1 . 1 118 118 VAL CA C 13 61.354 0.022 . 1 . . . . A 116 VAL CA . 34748 1 1487 . 1 . 1 118 118 VAL CB C 13 32.497 0.031 . 1 . . . . A 116 VAL CB . 34748 1 1488 . 1 . 1 118 118 VAL CG1 C 13 21.916 0.025 . 1 . . . . A 116 VAL CG1 . 34748 1 1489 . 1 . 1 118 118 VAL CG2 C 13 18.623 0.028 . 1 . . . . A 116 VAL CG2 . 34748 1 1490 . 1 . 1 118 118 VAL N N 15 114.274 0.030 . 1 . . . . A 116 VAL N . 34748 1 1491 . 1 . 1 119 119 ALA H H 1 7.715 0.002 . 1 . . . . A 117 ALA H . 34748 1 1492 . 1 . 1 119 119 ALA HA H 1 4.406 0.002 . 1 . . . . A 117 ALA HA . 34748 1 1493 . 1 . 1 119 119 ALA HB1 H 1 1.378 0.002 . 1 . . . . A 117 ALA HB1 . 34748 1 1494 . 1 . 1 119 119 ALA HB2 H 1 1.378 0.002 . 1 . . . . A 117 ALA HB2 . 34748 1 1495 . 1 . 1 119 119 ALA HB3 H 1 1.378 0.002 . 1 . . . . A 117 ALA HB3 . 34748 1 1496 . 1 . 1 119 119 ALA C C 13 173.983 0.005 . 1 . . . . A 117 ALA C . 34748 1 1497 . 1 . 1 119 119 ALA CA C 13 51.166 0.016 . 1 . . . . A 117 ALA CA . 34748 1 1498 . 1 . 1 119 119 ALA CB C 13 20.889 0.020 . 1 . . . . A 117 ALA CB . 34748 1 1499 . 1 . 1 119 119 ALA N N 15 120.656 0.012 . 1 . . . . A 117 ALA N . 34748 1 1500 . 1 . 1 120 120 TYR H H 1 8.462 0.001 . 1 . . . . A 118 TYR H . 34748 1 1501 . 1 . 1 120 120 TYR HA H 1 5.237 0.002 . 1 . . . . A 118 TYR HA . 34748 1 1502 . 1 . 1 120 120 TYR HB2 H 1 2.620 0.003 . 1 . . . . A 118 TYR HB2 . 34748 1 1503 . 1 . 1 120 120 TYR HB3 H 1 2.620 0.003 . 1 . . . . A 118 TYR HB3 . 34748 1 1504 . 1 . 1 120 120 TYR HD1 H 1 6.826 0.003 . 1 . . . . A 118 TYR HD1 . 34748 1 1505 . 1 . 1 120 120 TYR HD2 H 1 6.826 0.003 . 1 . . . . A 118 TYR HD2 . 34748 1 1506 . 1 . 1 120 120 TYR HE1 H 1 6.724 0.002 . 1 . . . . A 118 TYR HE1 . 34748 1 1507 . 1 . 1 120 120 TYR HE2 H 1 6.724 0.002 . 1 . . . . A 118 TYR HE2 . 34748 1 1508 . 1 . 1 120 120 TYR C C 13 175.747 0.004 . 1 . . . . A 118 TYR C . 34748 1 1509 . 1 . 1 120 120 TYR CA C 13 57.762 0.030 . 1 . . . . A 118 TYR CA . 34748 1 1510 . 1 . 1 120 120 TYR CB C 13 42.060 0.031 . 1 . . . . A 118 TYR CB . 34748 1 1511 . 1 . 1 120 120 TYR CD1 C 13 133.115 0.072 . 1 . . . . A 118 TYR CD1 . 34748 1 1512 . 1 . 1 120 120 TYR CD2 C 13 133.115 0.072 . 1 . . . . A 118 TYR CD2 . 34748 1 1513 . 1 . 1 120 120 TYR CE1 C 13 117.618 0.063 . 1 . . . . A 118 TYR CE1 . 34748 1 1514 . 1 . 1 120 120 TYR CE2 C 13 117.618 0.063 . 1 . . . . A 118 TYR CE2 . 34748 1 1515 . 1 . 1 120 120 TYR N N 15 116.051 0.013 . 1 . . . . A 118 TYR N . 34748 1 1516 . 1 . 1 121 121 ARG H H 1 9.361 0.003 . 1 . . . . A 119 ARG H . 34748 1 1517 . 1 . 1 121 121 ARG HA H 1 4.742 0.004 . 1 . . . . A 119 ARG HA . 34748 1 1518 . 1 . 1 121 121 ARG HB2 H 1 1.455 0.002 . 2 . . . . A 119 ARG HB2 . 34748 1 1519 . 1 . 1 121 121 ARG HB3 H 1 1.657 0.005 . 2 . . . . A 119 ARG HB3 . 34748 1 1520 . 1 . 1 121 121 ARG HG2 H 1 1.361 0.010 . 2 . . . . A 119 ARG HG2 . 34748 1 1521 . 1 . 1 121 121 ARG HG3 H 1 1.390 0.010 . 2 . . . . A 119 ARG HG3 . 34748 1 1522 . 1 . 1 121 121 ARG HD2 H 1 3.060 0.002 . 2 . . . . A 119 ARG HD2 . 34748 1 1523 . 1 . 1 121 121 ARG HD3 H 1 3.237 0.002 . 2 . . . . A 119 ARG HD3 . 34748 1 1524 . 1 . 1 121 121 ARG HE H 1 7.482 0.001 . 1 . . . . A 119 ARG HE . 34748 1 1525 . 1 . 1 121 121 ARG C C 13 174.778 0.000 . 1 . . . . A 119 ARG C . 34748 1 1526 . 1 . 1 121 121 ARG CA C 13 53.240 0.031 . 1 . . . . A 119 ARG CA . 34748 1 1527 . 1 . 1 121 121 ARG CB C 13 32.028 0.037 . 1 . . . . A 119 ARG CB . 34748 1 1528 . 1 . 1 121 121 ARG CG C 13 26.821 0.027 . 1 . . . . A 119 ARG CG . 34748 1 1529 . 1 . 1 121 121 ARG CD C 13 42.246 0.023 . 1 . . . . A 119 ARG CD . 34748 1 1530 . 1 . 1 121 121 ARG N N 15 122.271 0.018 . 1 . . . . A 119 ARG N . 34748 1 1531 . 1 . 1 121 121 ARG NE N 15 83.964 0.011 . 1 . . . . A 119 ARG NE . 34748 1 1532 . 1 . 1 122 122 LYS H H 1 8.613 0.003 . 1 . . . . A 120 LYS H . 34748 1 1533 . 1 . 1 122 122 LYS HA H 1 5.082 0.003 . 1 . . . . A 120 LYS HA . 34748 1 1534 . 1 . 1 122 122 LYS HB2 H 1 0.945 0.005 . 2 . . . . A 120 LYS HB2 . 34748 1 1535 . 1 . 1 122 122 LYS HB3 H 1 1.538 0.002 . 2 . . . . A 120 LYS HB3 . 34748 1 1536 . 1 . 1 122 122 LYS HG2 H 1 1.169 0.001 . 2 . . . . A 120 LYS HG2 . 34748 1 1537 . 1 . 1 122 122 LYS HG3 H 1 1.379 0.002 . 2 . . . . A 120 LYS HG3 . 34748 1 1538 . 1 . 1 122 122 LYS HD2 H 1 1.430 0.001 . 1 . . . . A 120 LYS HD2 . 34748 1 1539 . 1 . 1 122 122 LYS HD3 H 1 1.430 0.001 . 1 . . . . A 120 LYS HD3 . 34748 1 1540 . 1 . 1 122 122 LYS HE2 H 1 2.821 0.001 . 1 . . . . A 120 LYS HE2 . 34748 1 1541 . 1 . 1 122 122 LYS HE3 H 1 2.822 0.002 . 1 . . . . A 120 LYS HE3 . 34748 1 1542 . 1 . 1 122 122 LYS C C 13 176.820 0.002 . 1 . . . . A 120 LYS C . 34748 1 1543 . 1 . 1 122 122 LYS CA C 13 56.167 0.037 . 1 . . . . A 120 LYS CA . 34748 1 1544 . 1 . 1 122 122 LYS CB C 13 32.437 0.030 . 1 . . . . A 120 LYS CB . 34748 1 1545 . 1 . 1 122 122 LYS CG C 13 24.963 0.016 . 1 . . . . A 120 LYS CG . 34748 1 1546 . 1 . 1 122 122 LYS CD C 13 29.375 0.003 . 1 . . . . A 120 LYS CD . 34748 1 1547 . 1 . 1 122 122 LYS CE C 13 41.983 0.014 . 1 . . . . A 120 LYS CE . 34748 1 1548 . 1 . 1 122 122 LYS N N 15 126.688 0.021 . 1 . . . . A 120 LYS N . 34748 1 1549 . 1 . 1 123 123 VAL H H 1 8.955 0.003 . 1 . . . . A 121 VAL H . 34748 1 1550 . 1 . 1 123 123 VAL HA H 1 5.246 0.003 . 1 . . . . A 121 VAL HA . 34748 1 1551 . 1 . 1 123 123 VAL HB H 1 2.226 0.002 . 1 . . . . A 121 VAL HB . 34748 1 1552 . 1 . 1 123 123 VAL HG11 H 1 0.673 0.004 . 1 . . . . A 121 VAL HG11 . 34748 1 1553 . 1 . 1 123 123 VAL HG12 H 1 0.673 0.004 . 1 . . . . A 121 VAL HG12 . 34748 1 1554 . 1 . 1 123 123 VAL HG13 H 1 0.673 0.004 . 1 . . . . A 121 VAL HG13 . 34748 1 1555 . 1 . 1 123 123 VAL HG21 H 1 0.684 0.001 . 1 . . . . A 121 VAL HG21 . 34748 1 1556 . 1 . 1 123 123 VAL HG22 H 1 0.684 0.001 . 1 . . . . A 121 VAL HG22 . 34748 1 1557 . 1 . 1 123 123 VAL HG23 H 1 0.684 0.001 . 1 . . . . A 121 VAL HG23 . 34748 1 1558 . 1 . 1 123 123 VAL C C 13 173.482 0.006 . 1 . . . . A 121 VAL C . 34748 1 1559 . 1 . 1 123 123 VAL CA C 13 58.797 0.055 . 1 . . . . A 121 VAL CA . 34748 1 1560 . 1 . 1 123 123 VAL CB C 13 36.178 0.013 . 1 . . . . A 121 VAL CB . 34748 1 1561 . 1 . 1 123 123 VAL CG1 C 13 21.516 0.010 . 1 . . . . A 121 VAL CG1 . 34748 1 1562 . 1 . 1 123 123 VAL CG2 C 13 18.598 0.019 . 1 . . . . A 121 VAL CG2 . 34748 1 1563 . 1 . 1 123 123 VAL N N 15 116.941 0.024 . 1 . . . . A 121 VAL N . 34748 1 1564 . 1 . 1 124 124 LEU H H 1 8.742 0.004 . 1 . . . . A 122 LEU H . 34748 1 1565 . 1 . 1 124 124 LEU HA H 1 5.155 0.004 . 1 . . . . A 122 LEU HA . 34748 1 1566 . 1 . 1 124 124 LEU HB2 H 1 1.289 0.004 . 2 . . . . A 122 LEU HB2 . 34748 1 1567 . 1 . 1 124 124 LEU HB3 H 1 1.408 0.003 . 2 . . . . A 122 LEU HB3 . 34748 1 1568 . 1 . 1 124 124 LEU HG H 1 1.285 0.002 . 1 . . . . A 122 LEU HG . 34748 1 1569 . 1 . 1 124 124 LEU HD11 H 1 0.411 0.001 . 1 . . . . A 122 LEU HD11 . 34748 1 1570 . 1 . 1 124 124 LEU HD12 H 1 0.411 0.001 . 1 . . . . A 122 LEU HD12 . 34748 1 1571 . 1 . 1 124 124 LEU HD13 H 1 0.411 0.001 . 1 . . . . A 122 LEU HD13 . 34748 1 1572 . 1 . 1 124 124 LEU HD21 H 1 0.382 0.002 . 1 . . . . A 122 LEU HD21 . 34748 1 1573 . 1 . 1 124 124 LEU HD22 H 1 0.382 0.002 . 1 . . . . A 122 LEU HD22 . 34748 1 1574 . 1 . 1 124 124 LEU HD23 H 1 0.382 0.002 . 1 . . . . A 122 LEU HD23 . 34748 1 1575 . 1 . 1 124 124 LEU C C 13 174.873 0.006 . 1 . . . . A 122 LEU C . 34748 1 1576 . 1 . 1 124 124 LEU CA C 13 53.210 0.039 . 1 . . . . A 122 LEU CA . 34748 1 1577 . 1 . 1 124 124 LEU CB C 13 44.876 0.026 . 1 . . . . A 122 LEU CB . 34748 1 1578 . 1 . 1 124 124 LEU CG C 13 27.162 0.032 . 1 . . . . A 122 LEU CG . 34748 1 1579 . 1 . 1 124 124 LEU CD1 C 13 25.282 0.014 . 1 . . . . A 122 LEU CD1 . 34748 1 1580 . 1 . 1 124 124 LEU CD2 C 13 24.700 0.018 . 1 . . . . A 122 LEU CD2 . 34748 1 1581 . 1 . 1 124 124 LEU N N 15 123.189 0.036 . 1 . . . . A 122 LEU N . 34748 1 1582 . 1 . 1 125 125 LEU H H 1 8.887 0.002 . 1 . . . . A 123 LEU H . 34748 1 1583 . 1 . 1 125 125 LEU HA H 1 4.803 0.004 . 1 . . . . A 123 LEU HA . 34748 1 1584 . 1 . 1 125 125 LEU HB2 H 1 1.143 0.004 . 2 . . . . A 123 LEU HB2 . 34748 1 1585 . 1 . 1 125 125 LEU HB3 H 1 1.778 0.003 . 2 . . . . A 123 LEU HB3 . 34748 1 1586 . 1 . 1 125 125 LEU HG H 1 1.603 0.003 . 1 . . . . A 123 LEU HG . 34748 1 1587 . 1 . 1 125 125 LEU HD11 H 1 0.832 0.002 . 1 . . . . A 123 LEU HD11 . 34748 1 1588 . 1 . 1 125 125 LEU HD12 H 1 0.832 0.002 . 1 . . . . A 123 LEU HD12 . 34748 1 1589 . 1 . 1 125 125 LEU HD13 H 1 0.832 0.002 . 1 . . . . A 123 LEU HD13 . 34748 1 1590 . 1 . 1 125 125 LEU HD21 H 1 0.767 0.002 . 1 . . . . A 123 LEU HD21 . 34748 1 1591 . 1 . 1 125 125 LEU HD22 H 1 0.767 0.002 . 1 . . . . A 123 LEU HD22 . 34748 1 1592 . 1 . 1 125 125 LEU HD23 H 1 0.767 0.002 . 1 . . . . A 123 LEU HD23 . 34748 1 1593 . 1 . 1 125 125 LEU C C 13 176.076 0.000 . 1 . . . . A 123 LEU C . 34748 1 1594 . 1 . 1 125 125 LEU CA C 13 53.665 0.015 . 1 . . . . A 123 LEU CA . 34748 1 1595 . 1 . 1 125 125 LEU CB C 13 45.586 0.027 . 1 . . . . A 123 LEU CB . 34748 1 1596 . 1 . 1 125 125 LEU CG C 13 26.989 0.038 . 1 . . . . A 123 LEU CG . 34748 1 1597 . 1 . 1 125 125 LEU CD1 C 13 25.028 0.047 . 1 . . . . A 123 LEU CD1 . 34748 1 1598 . 1 . 1 125 125 LEU CD2 C 13 26.791 0.026 . 1 . . . . A 123 LEU CD2 . 34748 1 1599 . 1 . 1 125 125 LEU N N 15 125.054 0.028 . 1 . . . . A 123 LEU N . 34748 1 1600 . 1 . 1 126 126 ARG H H 1 8.786 0.005 . 1 . . . . A 124 ARG H . 34748 1 1601 . 1 . 1 126 126 ARG HA H 1 3.935 0.005 . 1 . . . . A 124 ARG HA . 34748 1 1602 . 1 . 1 126 126 ARG HB2 H 1 1.694 0.003 . 2 . . . . A 124 ARG HB2 . 34748 1 1603 . 1 . 1 126 126 ARG HB3 H 1 1.809 0.003 . 2 . . . . A 124 ARG HB3 . 34748 1 1604 . 1 . 1 126 126 ARG HG2 H 1 1.478 0.001 . 2 . . . . A 124 ARG HG2 . 34748 1 1605 . 1 . 1 126 126 ARG HG3 H 1 1.555 0.008 . 2 . . . . A 124 ARG HG3 . 34748 1 1606 . 1 . 1 126 126 ARG HD2 H 1 3.155 0.002 . 1 . . . . A 124 ARG HD2 . 34748 1 1607 . 1 . 1 126 126 ARG HD3 H 1 3.155 0.002 . 1 . . . . A 124 ARG HD3 . 34748 1 1608 . 1 . 1 126 126 ARG C C 13 176.454 0.004 . 1 . . . . A 124 ARG C . 34748 1 1609 . 1 . 1 126 126 ARG CA C 13 56.906 0.026 . 1 . . . . A 124 ARG CA . 34748 1 1610 . 1 . 1 126 126 ARG CB C 13 30.649 0.034 . 1 . . . . A 124 ARG CB . 34748 1 1611 . 1 . 1 126 126 ARG CG C 13 27.776 0.029 . 1 . . . . A 124 ARG CG . 34748 1 1612 . 1 . 1 126 126 ARG CD C 13 43.473 0.006 . 1 . . . . A 124 ARG CD . 34748 1 1613 . 1 . 1 126 126 ARG N N 15 126.208 0.029 . 1 . . . . A 124 ARG N . 34748 1 1614 . 1 . 1 127 127 LYS H H 1 8.436 0.004 . 1 . . . . A 125 LYS H . 34748 1 1615 . 1 . 1 127 127 LYS HA H 1 4.081 0.008 . 1 . . . . A 125 LYS HA . 34748 1 1616 . 1 . 1 127 127 LYS HB2 H 1 1.461 0.002 . 2 . . . . A 125 LYS HB2 . 34748 1 1617 . 1 . 1 127 127 LYS HB3 H 1 1.719 0.003 . 2 . . . . A 125 LYS HB3 . 34748 1 1618 . 1 . 1 127 127 LYS HG2 H 1 1.144 0.003 . 2 . . . . A 125 LYS HG2 . 34748 1 1619 . 1 . 1 127 127 LYS HG3 H 1 1.244 0.004 . 2 . . . . A 125 LYS HG3 . 34748 1 1620 . 1 . 1 127 127 LYS HD2 H 1 1.510 0.002 . 1 . . . . A 125 LYS HD2 . 34748 1 1621 . 1 . 1 127 127 LYS HD3 H 1 1.510 0.002 . 1 . . . . A 125 LYS HD3 . 34748 1 1622 . 1 . 1 127 127 LYS HE2 H 1 2.792 0.001 . 1 . . . . A 125 LYS HE2 . 34748 1 1623 . 1 . 1 127 127 LYS HE3 H 1 2.792 0.001 . 1 . . . . A 125 LYS HE3 . 34748 1 1624 . 1 . 1 127 127 LYS C C 13 176.133 0.000 . 1 . . . . A 125 LYS C . 34748 1 1625 . 1 . 1 127 127 LYS CA C 13 57.645 0.014 . 1 . . . . A 125 LYS CA . 34748 1 1626 . 1 . 1 127 127 LYS CB C 13 33.510 0.016 . 1 . . . . A 125 LYS CB . 34748 1 1627 . 1 . 1 127 127 LYS CG C 13 25.617 0.030 . 1 . . . . A 125 LYS CG . 34748 1 1628 . 1 . 1 127 127 LYS CD C 13 29.463 0.037 . 1 . . . . A 125 LYS CD . 34748 1 1629 . 1 . 1 127 127 LYS CE C 13 42.031 0.024 . 1 . . . . A 125 LYS CE . 34748 1 1630 . 1 . 1 127 127 LYS N N 15 125.904 0.035 . 1 . . . . A 125 LYS N . 34748 1 1631 . 1 . 1 128 128 ASN H H 1 8.404 0.002 . 1 . . . . A 126 ASN H . 34748 1 1632 . 1 . 1 128 128 ASN HA H 1 4.730 0.001 . 1 . . . . A 126 ASN HA . 34748 1 1633 . 1 . 1 128 128 ASN HB2 H 1 2.726 0.001 . 2 . . . . A 126 ASN HB2 . 34748 1 1634 . 1 . 1 128 128 ASN HB3 H 1 2.795 0.001 . 2 . . . . A 126 ASN HB3 . 34748 1 1635 . 1 . 1 128 128 ASN HD21 H 1 6.948 0.002 . 1 . . . . A 126 ASN HD21 . 34748 1 1636 . 1 . 1 128 128 ASN HD22 H 1 7.634 0.002 . 1 . . . . A 126 ASN HD22 . 34748 1 1637 . 1 . 1 128 128 ASN CA C 13 53.081 0.038 . 1 . . . . A 126 ASN CA . 34748 1 1638 . 1 . 1 128 128 ASN CB C 13 39.496 0.021 . 1 . . . . A 126 ASN CB . 34748 1 1639 . 1 . 1 128 128 ASN CG C 13 176.789 0.010 . 1 . . . . A 126 ASN CG . 34748 1 1640 . 1 . 1 128 128 ASN N N 15 118.851 0.016 . 1 . . . . A 126 ASN N . 34748 1 1641 . 1 . 1 128 128 ASN ND2 N 15 113.001 0.004 . 1 . . . . A 126 ASN ND2 . 34748 1 1642 . 1 . 1 129 129 GLY HA2 H 1 3.895 0.002 . 2 . . . . A 127 GLY HA2 . 34748 1 1643 . 1 . 1 129 129 GLY HA3 H 1 3.989 0.002 . 2 . . . . A 127 GLY HA3 . 34748 1 1644 . 1 . 1 129 129 GLY C C 13 173.843 0.000 . 1 . . . . A 127 GLY C . 34748 1 1645 . 1 . 1 129 129 GLY CA C 13 45.389 0.002 . 1 . . . . A 127 GLY CA . 34748 1 1646 . 1 . 1 130 130 ASN H H 1 8.410 0.001 . 1 . . . . A 128 ASN H . 34748 1 1647 . 1 . 1 130 130 ASN HA H 1 4.682 0.001 . 1 . . . . A 128 ASN HA . 34748 1 1648 . 1 . 1 130 130 ASN HB2 H 1 2.745 0.003 . 2 . . . . A 128 ASN HB2 . 34748 1 1649 . 1 . 1 130 130 ASN HB3 H 1 2.808 0.001 . 2 . . . . A 128 ASN HB3 . 34748 1 1650 . 1 . 1 130 130 ASN HD21 H 1 6.946 0.002 . 1 . . . . A 128 ASN HD21 . 34748 1 1651 . 1 . 1 130 130 ASN HD22 H 1 7.622 0.002 . 1 . . . . A 128 ASN HD22 . 34748 1 1652 . 1 . 1 130 130 ASN C C 13 175.497 0.017 . 1 . . . . A 128 ASN C . 34748 1 1653 . 1 . 1 130 130 ASN CA C 13 53.370 0.011 . 1 . . . . A 128 ASN CA . 34748 1 1654 . 1 . 1 130 130 ASN CB C 13 39.050 0.067 . 1 . . . . A 128 ASN CB . 34748 1 1655 . 1 . 1 130 130 ASN CG C 13 177.018 0.011 . 1 . . . . A 128 ASN CG . 34748 1 1656 . 1 . 1 130 130 ASN N N 15 118.806 0.010 . 1 . . . . A 128 ASN N . 34748 1 1657 . 1 . 1 130 130 ASN ND2 N 15 113.113 0.015 . 1 . . . . A 128 ASN ND2 . 34748 1 1658 . 1 . 1 131 131 LYS H H 1 8.446 0.001 . 1 . . . . A 129 LYS H . 34748 1 1659 . 1 . 1 131 131 LYS HA H 1 4.289 0.003 . 1 . . . . A 129 LYS HA . 34748 1 1660 . 1 . 1 131 131 LYS HB2 H 1 1.752 0.001 . 2 . . . . A 129 LYS HB2 . 34748 1 1661 . 1 . 1 131 131 LYS HB3 H 1 1.851 0.001 . 2 . . . . A 129 LYS HB3 . 34748 1 1662 . 1 . 1 131 131 LYS HG2 H 1 1.389 0.004 . 2 . . . . A 129 LYS HG2 . 34748 1 1663 . 1 . 1 131 131 LYS HG3 H 1 1.437 0.001 . 2 . . . . A 129 LYS HG3 . 34748 1 1664 . 1 . 1 131 131 LYS HD2 H 1 1.650 0.001 . 1 . . . . A 129 LYS HD2 . 34748 1 1665 . 1 . 1 131 131 LYS HD3 H 1 1.650 0.001 . 1 . . . . A 129 LYS HD3 . 34748 1 1666 . 1 . 1 131 131 LYS HE2 H 1 2.971 0.002 . 1 . . . . A 129 LYS HE2 . 34748 1 1667 . 1 . 1 131 131 LYS HE3 H 1 2.971 0.002 . 1 . . . . A 129 LYS HE3 . 34748 1 1668 . 1 . 1 131 131 LYS C C 13 177.098 0.006 . 1 . . . . A 129 LYS C . 34748 1 1669 . 1 . 1 131 131 LYS CA C 13 56.693 0.038 . 1 . . . . A 129 LYS CA . 34748 1 1670 . 1 . 1 131 131 LYS CB C 13 32.852 0.013 . 1 . . . . A 129 LYS CB . 34748 1 1671 . 1 . 1 131 131 LYS CG C 13 24.763 0.013 . 1 . . . . A 129 LYS CG . 34748 1 1672 . 1 . 1 131 131 LYS CD C 13 29.097 0.001 . 1 . . . . A 129 LYS CD . 34748 1 1673 . 1 . 1 131 131 LYS CE C 13 42.141 0.002 . 1 . . . . A 129 LYS CE . 34748 1 1674 . 1 . 1 131 131 LYS N N 15 121.741 0.023 . 1 . . . . A 129 LYS N . 34748 1 1675 . 1 . 1 132 132 GLY H H 1 8.393 0.007 . 1 . . . . A 130 GLY H . 34748 1 1676 . 1 . 1 132 132 GLY HA2 H 1 3.917 0.011 . 2 . . . . A 130 GLY HA2 . 34748 1 1677 . 1 . 1 132 132 GLY HA3 H 1 3.964 0.004 . 2 . . . . A 130 GLY HA3 . 34748 1 1678 . 1 . 1 132 132 GLY C C 13 174.004 0.009 . 1 . . . . A 130 GLY C . 34748 1 1679 . 1 . 1 132 132 GLY CA C 13 45.246 0.014 . 1 . . . . A 130 GLY CA . 34748 1 1680 . 1 . 1 132 132 GLY N N 15 109.808 0.027 . 1 . . . . A 130 GLY N . 34748 1 1681 . 1 . 1 133 133 ALA H H 1 8.243 0.001 . 1 . . . . A 131 ALA H . 34748 1 1682 . 1 . 1 133 133 ALA HA H 1 4.318 0.003 . 1 . . . . A 131 ALA HA . 34748 1 1683 . 1 . 1 133 133 ALA HB1 H 1 1.387 0.001 . 1 . . . . A 131 ALA HB1 . 34748 1 1684 . 1 . 1 133 133 ALA HB2 H 1 1.387 0.001 . 1 . . . . A 131 ALA HB2 . 34748 1 1685 . 1 . 1 133 133 ALA HB3 H 1 1.387 0.001 . 1 . . . . A 131 ALA HB3 . 34748 1 1686 . 1 . 1 133 133 ALA C C 13 178.306 0.006 . 1 . . . . A 131 ALA C . 34748 1 1687 . 1 . 1 133 133 ALA CA C 13 52.662 0.046 . 1 . . . . A 131 ALA CA . 34748 1 1688 . 1 . 1 133 133 ALA CB C 13 19.377 0.014 . 1 . . . . A 131 ALA CB . 34748 1 1689 . 1 . 1 133 133 ALA N N 15 123.815 0.007 . 1 . . . . A 131 ALA N . 34748 1 1690 . 1 . 1 134 134 GLY H H 1 8.442 0.002 . 1 . . . . A 132 GLY H . 34748 1 1691 . 1 . 1 134 134 GLY HA2 H 1 3.938 0.002 . 1 . . . . A 132 GLY HA2 . 34748 1 1692 . 1 . 1 134 134 GLY HA3 H 1 3.938 0.002 . 1 . . . . A 132 GLY HA3 . 34748 1 1693 . 1 . 1 134 134 GLY C C 13 174.708 0.004 . 1 . . . . A 132 GLY C . 34748 1 1694 . 1 . 1 134 134 GLY CA C 13 45.418 0.005 . 1 . . . . A 132 GLY CA . 34748 1 1695 . 1 . 1 134 134 GLY N N 15 108.089 0.027 . 1 . . . . A 132 GLY N . 34748 1 1696 . 1 . 1 135 135 GLY H H 1 8.228 0.001 . 1 . . . . A 133 GLY H . 34748 1 1697 . 1 . 1 135 135 GLY HA2 H 1 3.900 0.001 . 1 . . . . A 133 GLY HA2 . 34748 1 1698 . 1 . 1 135 135 GLY HA3 H 1 3.900 0.001 . 1 . . . . A 133 GLY HA3 . 34748 1 1699 . 1 . 1 135 135 GLY C C 13 173.976 0.001 . 1 . . . . A 133 GLY C . 34748 1 1700 . 1 . 1 135 135 GLY CA C 13 45.279 0.007 . 1 . . . . A 133 GLY CA . 34748 1 1701 . 1 . 1 135 135 GLY N N 15 108.424 0.006 . 1 . . . . A 133 GLY N . 34748 1 1702 . 1 . 1 136 136 HIS H H 1 8.200 0.002 . 1 . . . . A 134 HIS H . 34748 1 1703 . 1 . 1 136 136 HIS HA H 1 4.633 0.002 . 1 . . . . A 134 HIS HA . 34748 1 1704 . 1 . 1 136 136 HIS HB2 H 1 3.002 0.003 . 2 . . . . A 134 HIS HB2 . 34748 1 1705 . 1 . 1 136 136 HIS HB3 H 1 3.058 0.001 . 2 . . . . A 134 HIS HB3 . 34748 1 1706 . 1 . 1 136 136 HIS HD2 H 1 6.976 0.002 . 1 . . . . A 134 HIS HD2 . 34748 1 1707 . 1 . 1 136 136 HIS C C 13 175.136 0.010 . 1 . . . . A 134 HIS C . 34748 1 1708 . 1 . 1 136 136 HIS CA C 13 55.972 0.014 . 1 . . . . A 134 HIS CA . 34748 1 1709 . 1 . 1 136 136 HIS CB C 13 30.630 0.029 . 1 . . . . A 134 HIS CB . 34748 1 1710 . 1 . 1 136 136 HIS CD2 C 13 119.994 0.000 . 1 . . . . A 134 HIS CD2 . 34748 1 1711 . 1 . 1 136 136 HIS N N 15 118.965 0.009 . 1 . . . . A 134 HIS N . 34748 1 1712 . 1 . 1 137 137 SER H H 1 8.297 0.005 . 1 . . . . A 135 SER H . 34748 1 1713 . 1 . 1 137 137 SER HA H 1 4.434 0.002 . 1 . . . . A 135 SER HA . 34748 1 1714 . 1 . 1 137 137 SER HB2 H 1 3.762 0.001 . 2 . . . . A 135 SER HB2 . 34748 1 1715 . 1 . 1 137 137 SER HB3 H 1 3.778 0.001 . 2 . . . . A 135 SER HB3 . 34748 1 1716 . 1 . 1 137 137 SER C C 13 174.148 0.000 . 1 . . . . A 135 SER C . 34748 1 1717 . 1 . 1 137 137 SER CA C 13 58.195 0.044 . 1 . . . . A 135 SER CA . 34748 1 1718 . 1 . 1 137 137 SER CB C 13 63.855 0.020 . 1 . . . . A 135 SER CB . 34748 1 1719 . 1 . 1 137 137 SER N N 15 117.040 0.014 . 1 . . . . A 135 SER N . 34748 1 1720 . 1 . 1 138 138 TYR H H 1 8.327 0.001 . 1 . . . . A 136 TYR H . 34748 1 1721 . 1 . 1 138 138 TYR HA H 1 4.555 0.003 . 1 . . . . A 136 TYR HA . 34748 1 1722 . 1 . 1 138 138 TYR HB2 H 1 2.942 0.002 . 2 . . . . A 136 TYR HB2 . 34748 1 1723 . 1 . 1 138 138 TYR HB3 H 1 3.066 0.002 . 2 . . . . A 136 TYR HB3 . 34748 1 1724 . 1 . 1 138 138 TYR HD1 H 1 7.099 0.002 . 1 . . . . A 136 TYR HD1 . 34748 1 1725 . 1 . 1 138 138 TYR HD2 H 1 7.099 0.002 . 1 . . . . A 136 TYR HD2 . 34748 1 1726 . 1 . 1 138 138 TYR HE1 H 1 6.799 0.001 . 1 . . . . A 136 TYR HE1 . 34748 1 1727 . 1 . 1 138 138 TYR HE2 H 1 6.799 0.001 . 1 . . . . A 136 TYR HE2 . 34748 1 1728 . 1 . 1 138 138 TYR C C 13 176.326 0.001 . 1 . . . . A 136 TYR C . 34748 1 1729 . 1 . 1 138 138 TYR CA C 13 58.215 0.015 . 1 . . . . A 136 TYR CA . 34748 1 1730 . 1 . 1 138 138 TYR CB C 13 38.784 0.018 . 1 . . . . A 136 TYR CB . 34748 1 1731 . 1 . 1 138 138 TYR CD1 C 13 133.274 0.009 . 1 . . . . A 136 TYR CD1 . 34748 1 1732 . 1 . 1 138 138 TYR CD2 C 13 133.274 0.009 . 1 . . . . A 136 TYR CD2 . 34748 1 1733 . 1 . 1 138 138 TYR CE1 C 13 118.267 0.013 . 1 . . . . A 136 TYR CE1 . 34748 1 1734 . 1 . 1 138 138 TYR CE2 C 13 118.267 0.013 . 1 . . . . A 136 TYR CE2 . 34748 1 1735 . 1 . 1 138 138 TYR N N 15 122.256 0.007 . 1 . . . . A 136 TYR N . 34748 1 1736 . 1 . 1 139 139 GLY H H 1 8.356 0.001 . 1 . . . . A 137 GLY H . 34748 1 1737 . 1 . 1 139 139 GLY HA2 H 1 3.863 0.010 . 2 . . . . A 137 GLY HA2 . 34748 1 1738 . 1 . 1 139 139 GLY HA3 H 1 3.917 0.008 . 2 . . . . A 137 GLY HA3 . 34748 1 1739 . 1 . 1 139 139 GLY C C 13 173.988 0.000 . 1 . . . . A 137 GLY C . 34748 1 1740 . 1 . 1 139 139 GLY CA C 13 45.407 0.005 . 1 . . . . A 137 GLY CA . 34748 1 1741 . 1 . 1 139 139 GLY N N 15 110.520 0.015 . 1 . . . . A 137 GLY N . 34748 1 1742 . 1 . 1 140 140 ALA H H 1 8.108 0.001 . 1 . . . . A 138 ALA H . 34748 1 1743 . 1 . 1 140 140 ALA HA H 1 4.269 0.003 . 1 . . . . A 138 ALA HA . 34748 1 1744 . 1 . 1 140 140 ALA HB1 H 1 1.366 0.001 . 1 . . . . A 138 ALA HB1 . 34748 1 1745 . 1 . 1 140 140 ALA HB2 H 1 1.366 0.001 . 1 . . . . A 138 ALA HB2 . 34748 1 1746 . 1 . 1 140 140 ALA HB3 H 1 1.366 0.001 . 1 . . . . A 138 ALA HB3 . 34748 1 1747 . 1 . 1 140 140 ALA C C 13 177.437 0.002 . 1 . . . . A 138 ALA C . 34748 1 1748 . 1 . 1 140 140 ALA CA C 13 52.771 0.020 . 1 . . . . A 138 ALA CA . 34748 1 1749 . 1 . 1 140 140 ALA CB C 13 19.395 0.010 . 1 . . . . A 138 ALA CB . 34748 1 1750 . 1 . 1 140 140 ALA N N 15 123.653 0.010 . 1 . . . . A 138 ALA N . 34748 1 1751 . 1 . 1 141 141 ASP H H 1 8.350 0.001 . 1 . . . . A 139 ASP H . 34748 1 1752 . 1 . 1 141 141 ASP HA H 1 4.560 0.002 . 1 . . . . A 139 ASP HA . 34748 1 1753 . 1 . 1 141 141 ASP HB2 H 1 2.611 0.002 . 2 . . . . A 139 ASP HB2 . 34748 1 1754 . 1 . 1 141 141 ASP HB3 H 1 2.714 0.001 . 2 . . . . A 139 ASP HB3 . 34748 1 1755 . 1 . 1 141 141 ASP C C 13 176.222 0.004 . 1 . . . . A 139 ASP C . 34748 1 1756 . 1 . 1 141 141 ASP CA C 13 54.244 0.009 . 1 . . . . A 139 ASP CA . 34748 1 1757 . 1 . 1 141 141 ASP CB C 13 40.977 0.019 . 1 . . . . A 139 ASP CB . 34748 1 1758 . 1 . 1 141 141 ASP N N 15 118.652 0.010 . 1 . . . . A 139 ASP N . 34748 1 1759 . 1 . 1 142 142 LEU H H 1 8.046 0.001 . 1 . . . . A 140 LEU H . 34748 1 1760 . 1 . 1 142 142 LEU HA H 1 4.272 0.001 . 1 . . . . A 140 LEU HA . 34748 1 1761 . 1 . 1 142 142 LEU HB2 H 1 1.570 0.001 . 2 . . . . A 140 LEU HB2 . 34748 1 1762 . 1 . 1 142 142 LEU HB3 H 1 1.628 0.000 . 2 . . . . A 140 LEU HB3 . 34748 1 1763 . 1 . 1 142 142 LEU HG H 1 1.583 0.000 . 1 . . . . A 140 LEU HG . 34748 1 1764 . 1 . 1 142 142 LEU HD11 H 1 0.880 0.001 . 1 . . . . A 140 LEU HD11 . 34748 1 1765 . 1 . 1 142 142 LEU HD12 H 1 0.880 0.001 . 1 . . . . A 140 LEU HD12 . 34748 1 1766 . 1 . 1 142 142 LEU HD13 H 1 0.880 0.001 . 1 . . . . A 140 LEU HD13 . 34748 1 1767 . 1 . 1 142 142 LEU HD21 H 1 0.815 0.001 . 1 . . . . A 140 LEU HD21 . 34748 1 1768 . 1 . 1 142 142 LEU HD22 H 1 0.815 0.001 . 1 . . . . A 140 LEU HD22 . 34748 1 1769 . 1 . 1 142 142 LEU HD23 H 1 0.815 0.001 . 1 . . . . A 140 LEU HD23 . 34748 1 1770 . 1 . 1 142 142 LEU C C 13 177.435 0.001 . 1 . . . . A 140 LEU C . 34748 1 1771 . 1 . 1 142 142 LEU CA C 13 55.460 0.017 . 1 . . . . A 140 LEU CA . 34748 1 1772 . 1 . 1 142 142 LEU CB C 13 42.122 0.006 . 1 . . . . A 140 LEU CB . 34748 1 1773 . 1 . 1 142 142 LEU CG C 13 26.998 0.000 . 1 . . . . A 140 LEU CG . 34748 1 1774 . 1 . 1 142 142 LEU CD1 C 13 25.058 0.008 . 1 . . . . A 140 LEU CD1 . 34748 1 1775 . 1 . 1 142 142 LEU CD2 C 13 23.511 0.003 . 1 . . . . A 140 LEU CD2 . 34748 1 1776 . 1 . 1 142 142 LEU N N 15 122.220 0.011 . 1 . . . . A 140 LEU N . 34748 1 1777 . 1 . 1 143 143 LYS H H 1 8.245 0.001 . 1 . . . . A 141 LYS H . 34748 1 1778 . 1 . 1 143 143 LYS HA H 1 4.282 0.001 . 1 . . . . A 141 LYS HA . 34748 1 1779 . 1 . 1 143 143 LYS HB2 H 1 1.730 0.000 . 2 . . . . A 141 LYS HB2 . 34748 1 1780 . 1 . 1 143 143 LYS HB3 H 1 1.757 0.000 . 2 . . . . A 141 LYS HB3 . 34748 1 1781 . 1 . 1 143 143 LYS HG2 H 1 1.360 0.000 . 2 . . . . A 141 LYS HG2 . 34748 1 1782 . 1 . 1 143 143 LYS HG3 H 1 1.397 0.000 . 2 . . . . A 141 LYS HG3 . 34748 1 1783 . 1 . 1 143 143 LYS HD2 H 1 1.653 0.000 . 1 . . . . A 141 LYS HD2 . 34748 1 1784 . 1 . 1 143 143 LYS HD3 H 1 1.653 0.000 . 1 . . . . A 141 LYS HD3 . 34748 1 1785 . 1 . 1 143 143 LYS HE2 H 1 2.966 0.000 . 1 . . . . A 141 LYS HE2 . 34748 1 1786 . 1 . 1 143 143 LYS HE3 H 1 2.966 0.000 . 1 . . . . A 141 LYS HE3 . 34748 1 1787 . 1 . 1 143 143 LYS C C 13 176.587 0.003 . 1 . . . . A 141 LYS C . 34748 1 1788 . 1 . 1 143 143 LYS CA C 13 56.400 0.029 . 1 . . . . A 141 LYS CA . 34748 1 1789 . 1 . 1 143 143 LYS CB C 13 32.856 0.000 . 1 . . . . A 141 LYS CB . 34748 1 1790 . 1 . 1 143 143 LYS CG C 13 24.750 0.000 . 1 . . . . A 141 LYS CG . 34748 1 1791 . 1 . 1 143 143 LYS CD C 13 29.024 0.014 . 1 . . . . A 141 LYS CD . 34748 1 1792 . 1 . 1 143 143 LYS CE C 13 42.153 0.000 . 1 . . . . A 141 LYS CE . 34748 1 1793 . 1 . 1 143 143 LYS N N 15 121.300 0.018 . 1 . . . . A 141 LYS N . 34748 1 1794 . 1 . 1 144 144 SER H H 1 8.114 0.002 . 1 . . . . A 142 SER H . 34748 1 1795 . 1 . 1 144 144 SER HA H 1 4.373 0.003 . 1 . . . . A 142 SER HA . 34748 1 1796 . 1 . 1 144 144 SER HB2 H 1 3.759 0.001 . 2 . . . . A 142 SER HB2 . 34748 1 1797 . 1 . 1 144 144 SER HB3 H 1 3.782 0.001 . 2 . . . . A 142 SER HB3 . 34748 1 1798 . 1 . 1 144 144 SER C C 13 174.169 0.002 . 1 . . . . A 142 SER C . 34748 1 1799 . 1 . 1 144 144 SER CA C 13 58.368 0.014 . 1 . . . . A 142 SER CA . 34748 1 1800 . 1 . 1 144 144 SER CB C 13 63.804 0.004 . 1 . . . . A 142 SER CB . 34748 1 1801 . 1 . 1 144 144 SER N N 15 116.101 0.016 . 1 . . . . A 142 SER N . 34748 1 1802 . 1 . 1 145 145 PHE H H 1 8.136 0.002 . 1 . . . . A 143 PHE H . 34748 1 1803 . 1 . 1 145 145 PHE HA H 1 4.612 0.002 . 1 . . . . A 143 PHE HA . 34748 1 1804 . 1 . 1 145 145 PHE HB2 H 1 2.975 0.004 . 2 . . . . A 143 PHE HB2 . 34748 1 1805 . 1 . 1 145 145 PHE HB3 H 1 3.141 0.003 . 2 . . . . A 143 PHE HB3 . 34748 1 1806 . 1 . 1 145 145 PHE HD1 H 1 7.217 0.001 . 1 . . . . A 143 PHE HD1 . 34748 1 1807 . 1 . 1 145 145 PHE HD2 H 1 7.217 0.001 . 1 . . . . A 143 PHE HD2 . 34748 1 1808 . 1 . 1 145 145 PHE HE1 H 1 7.303 0.000 . 1 . . . . A 143 PHE HE1 . 34748 1 1809 . 1 . 1 145 145 PHE HE2 H 1 7.303 0.000 . 1 . . . . A 143 PHE HE2 . 34748 1 1810 . 1 . 1 145 145 PHE HZ H 1 7.248 0.001 . 1 . . . . A 143 PHE HZ . 34748 1 1811 . 1 . 1 145 145 PHE C C 13 175.156 0.004 . 1 . . . . A 143 PHE C . 34748 1 1812 . 1 . 1 145 145 PHE CA C 13 57.709 0.022 . 1 . . . . A 143 PHE CA . 34748 1 1813 . 1 . 1 145 145 PHE CB C 13 39.710 0.034 . 1 . . . . A 143 PHE CB . 34748 1 1814 . 1 . 1 145 145 PHE CD1 C 13 131.930 0.018 . 1 . . . . A 143 PHE CD1 . 34748 1 1815 . 1 . 1 145 145 PHE CD2 C 13 131.930 0.018 . 1 . . . . A 143 PHE CD2 . 34748 1 1816 . 1 . 1 145 145 PHE CE1 C 13 131.499 0.000 . 1 . . . . A 143 PHE CE1 . 34748 1 1817 . 1 . 1 145 145 PHE CE2 C 13 131.499 0.000 . 1 . . . . A 143 PHE CE2 . 34748 1 1818 . 1 . 1 145 145 PHE CZ C 13 129.776 0.004 . 1 . . . . A 143 PHE CZ . 34748 1 1819 . 1 . 1 145 145 PHE N N 15 121.641 0.016 . 1 . . . . A 143 PHE N . 34748 1 1820 . 1 . 1 146 146 ASP H H 1 8.280 0.002 . 1 . . . . A 144 ASP H . 34748 1 1821 . 1 . 1 146 146 ASP HA H 1 4.611 0.003 . 1 . . . . A 144 ASP HA . 34748 1 1822 . 1 . 1 146 146 ASP HB2 H 1 2.555 0.002 . 2 . . . . A 144 ASP HB2 . 34748 1 1823 . 1 . 1 146 146 ASP HB3 H 1 2.695 0.001 . 2 . . . . A 144 ASP HB3 . 34748 1 1824 . 1 . 1 146 146 ASP C C 13 176.017 0.002 . 1 . . . . A 144 ASP C . 34748 1 1825 . 1 . 1 146 146 ASP CA C 13 54.204 0.014 . 1 . . . . A 144 ASP CA . 34748 1 1826 . 1 . 1 146 146 ASP CB C 13 41.496 0.013 . 1 . . . . A 144 ASP CB . 34748 1 1827 . 1 . 1 146 146 ASP N N 15 121.821 0.014 . 1 . . . . A 144 ASP N . 34748 1 1828 . 1 . 1 147 147 LEU H H 1 8.216 0.001 . 1 . . . . A 145 LEU H . 34748 1 1829 . 1 . 1 147 147 LEU HA H 1 4.294 0.001 . 1 . . . . A 145 LEU HA . 34748 1 1830 . 1 . 1 147 147 LEU HB2 H 1 1.625 0.007 . 2 . . . . A 145 LEU HB2 . 34748 1 1831 . 1 . 1 147 147 LEU HB3 H 1 1.634 0.001 . 2 . . . . A 145 LEU HB3 . 34748 1 1832 . 1 . 1 147 147 LEU HG H 1 1.630 0.000 . 1 . . . . A 145 LEU HG . 34748 1 1833 . 1 . 1 147 147 LEU HD11 H 1 0.916 0.000 . 1 . . . . A 145 LEU HD11 . 34748 1 1834 . 1 . 1 147 147 LEU HD12 H 1 0.916 0.000 . 1 . . . . A 145 LEU HD12 . 34748 1 1835 . 1 . 1 147 147 LEU HD13 H 1 0.916 0.000 . 1 . . . . A 145 LEU HD13 . 34748 1 1836 . 1 . 1 147 147 LEU HD21 H 1 0.856 0.000 . 1 . . . . A 145 LEU HD21 . 34748 1 1837 . 1 . 1 147 147 LEU HD22 H 1 0.856 0.000 . 1 . . . . A 145 LEU HD22 . 34748 1 1838 . 1 . 1 147 147 LEU HD23 H 1 0.856 0.000 . 1 . . . . A 145 LEU HD23 . 34748 1 1839 . 1 . 1 147 147 LEU C C 13 178.019 0.008 . 1 . . . . A 145 LEU C . 34748 1 1840 . 1 . 1 147 147 LEU CA C 13 55.523 0.012 . 1 . . . . A 145 LEU CA . 34748 1 1841 . 1 . 1 147 147 LEU CB C 13 42.323 0.010 . 1 . . . . A 145 LEU CB . 34748 1 1842 . 1 . 1 147 147 LEU CG C 13 27.033 0.000 . 1 . . . . A 145 LEU CG . 34748 1 1843 . 1 . 1 147 147 LEU CD1 C 13 25.155 0.004 . 1 . . . . A 145 LEU CD1 . 34748 1 1844 . 1 . 1 147 147 LEU CD2 C 13 23.492 0.001 . 1 . . . . A 145 LEU CD2 . 34748 1 1845 . 1 . 1 147 147 LEU N N 15 122.811 0.023 . 1 . . . . A 145 LEU N . 34748 1 1846 . 1 . 1 148 148 GLY H H 1 8.429 0.001 . 1 . . . . A 146 GLY H . 34748 1 1847 . 1 . 1 148 148 GLY HA2 H 1 3.918 0.011 . 2 . . . . A 146 GLY HA2 . 34748 1 1848 . 1 . 1 148 148 GLY HA3 H 1 3.954 0.007 . 2 . . . . A 146 GLY HA3 . 34748 1 1849 . 1 . 1 148 148 GLY C C 13 174.130 0.002 . 1 . . . . A 146 GLY C . 34748 1 1850 . 1 . 1 148 148 GLY CA C 13 45.530 0.013 . 1 . . . . A 146 GLY CA . 34748 1 1851 . 1 . 1 148 148 GLY N N 15 109.099 0.016 . 1 . . . . A 146 GLY N . 34748 1 1852 . 1 . 1 149 149 ASP H H 1 8.203 0.001 . 1 . . . . A 147 ASP H . 34748 1 1853 . 1 . 1 149 149 ASP HA H 1 4.608 0.002 . 1 . . . . A 147 ASP HA . 34748 1 1854 . 1 . 1 149 149 ASP HB2 H 1 2.618 0.002 . 2 . . . . A 147 ASP HB2 . 34748 1 1855 . 1 . 1 149 149 ASP HB3 H 1 2.682 0.003 . 2 . . . . A 147 ASP HB3 . 34748 1 1856 . 1 . 1 149 149 ASP C C 13 176.514 0.003 . 1 . . . . A 147 ASP C . 34748 1 1857 . 1 . 1 149 149 ASP CA C 13 54.457 0.013 . 1 . . . . A 147 ASP CA . 34748 1 1858 . 1 . 1 149 149 ASP CB C 13 41.394 0.020 . 1 . . . . A 147 ASP CB . 34748 1 1859 . 1 . 1 149 149 ASP N N 15 120.451 0.007 . 1 . . . . A 147 ASP N . 34748 1 1860 . 1 . 1 150 150 GLU H H 1 8.458 0.001 . 1 . . . . A 148 GLU H . 34748 1 1861 . 1 . 1 150 150 GLU HA H 1 4.251 0.003 . 1 . . . . A 148 GLU HA . 34748 1 1862 . 1 . 1 150 150 GLU HB2 H 1 1.952 0.002 . 2 . . . . A 148 GLU HB2 . 34748 1 1863 . 1 . 1 150 150 GLU HB3 H 1 2.061 0.000 . 2 . . . . A 148 GLU HB3 . 34748 1 1864 . 1 . 1 150 150 GLU HG2 H 1 2.226 0.004 . 2 . . . . A 148 GLU HG2 . 34748 1 1865 . 1 . 1 150 150 GLU HG3 H 1 2.270 0.005 . 2 . . . . A 148 GLU HG3 . 34748 1 1866 . 1 . 1 150 150 GLU C C 13 176.659 0.005 . 1 . . . . A 148 GLU C . 34748 1 1867 . 1 . 1 150 150 GLU CA C 13 56.894 0.032 . 1 . . . . A 148 GLU CA . 34748 1 1868 . 1 . 1 150 150 GLU CB C 13 30.024 0.011 . 1 . . . . A 148 GLU CB . 34748 1 1869 . 1 . 1 150 150 GLU CG C 13 36.320 0.000 . 1 . . . . A 148 GLU CG . 34748 1 1870 . 1 . 1 150 150 GLU N N 15 120.842 0.010 . 1 . . . . A 148 GLU N . 34748 1 1871 . 1 . 1 151 151 LEU H H 1 8.267 0.003 . 1 . . . . A 149 LEU H . 34748 1 1872 . 1 . 1 151 151 LEU HA H 1 4.336 0.001 . 1 . . . . A 149 LEU HA . 34748 1 1873 . 1 . 1 151 151 LEU HB2 H 1 1.587 0.002 . 2 . . . . A 149 LEU HB2 . 34748 1 1874 . 1 . 1 151 151 LEU HB3 H 1 1.685 0.001 . 2 . . . . A 149 LEU HB3 . 34748 1 1875 . 1 . 1 151 151 LEU HG H 1 1.628 0.001 . 1 . . . . A 149 LEU HG . 34748 1 1876 . 1 . 1 151 151 LEU HD11 H 1 0.909 0.001 . 1 . . . . A 149 LEU HD11 . 34748 1 1877 . 1 . 1 151 151 LEU HD12 H 1 0.909 0.001 . 1 . . . . A 149 LEU HD12 . 34748 1 1878 . 1 . 1 151 151 LEU HD13 H 1 0.909 0.001 . 1 . . . . A 149 LEU HD13 . 34748 1 1879 . 1 . 1 151 151 LEU HD21 H 1 0.853 0.001 . 1 . . . . A 149 LEU HD21 . 34748 1 1880 . 1 . 1 151 151 LEU HD22 H 1 0.853 0.001 . 1 . . . . A 149 LEU HD22 . 34748 1 1881 . 1 . 1 151 151 LEU HD23 H 1 0.853 0.001 . 1 . . . . A 149 LEU HD23 . 34748 1 1882 . 1 . 1 151 151 LEU C C 13 178.032 0.005 . 1 . . . . A 149 LEU C . 34748 1 1883 . 1 . 1 151 151 LEU CA C 13 55.411 0.011 . 1 . . . . A 149 LEU CA . 34748 1 1884 . 1 . 1 151 151 LEU CB C 13 42.369 0.010 . 1 . . . . A 149 LEU CB . 34748 1 1885 . 1 . 1 151 151 LEU CG C 13 27.024 0.000 . 1 . . . . A 149 LEU CG . 34748 1 1886 . 1 . 1 151 151 LEU CD1 C 13 25.064 0.011 . 1 . . . . A 149 LEU CD1 . 34748 1 1887 . 1 . 1 151 151 LEU CD2 C 13 23.413 0.002 . 1 . . . . A 149 LEU CD2 . 34748 1 1888 . 1 . 1 151 151 LEU N N 15 122.422 0.016 . 1 . . . . A 149 LEU N . 34748 1 1889 . 1 . 1 152 152 GLY H H 1 8.367 0.001 . 1 . . . . A 150 GLY H . 34748 1 1890 . 1 . 1 152 152 GLY HA2 H 1 3.952 0.014 . 2 . . . . A 150 GLY HA2 . 34748 1 1891 . 1 . 1 152 152 GLY HA3 H 1 4.009 0.014 . 2 . . . . A 150 GLY HA3 . 34748 1 1892 . 1 . 1 152 152 GLY C C 13 174.221 0.000 . 1 . . . . A 150 GLY C . 34748 1 1893 . 1 . 1 152 152 GLY CA C 13 45.420 0.006 . 1 . . . . A 150 GLY CA . 34748 1 1894 . 1 . 1 152 152 GLY N N 15 109.305 0.009 . 1 . . . . A 150 GLY N . 34748 1 1895 . 1 . 1 153 153 THR H H 1 7.982 0.001 . 1 . . . . A 151 THR H . 34748 1 1896 . 1 . 1 153 153 THR HA H 1 4.325 0.001 . 1 . . . . A 151 THR HA . 34748 1 1897 . 1 . 1 153 153 THR HB H 1 4.176 0.001 . 1 . . . . A 151 THR HB . 34748 1 1898 . 1 . 1 153 153 THR HG21 H 1 1.157 0.002 . 1 . . . . A 151 THR HG21 . 34748 1 1899 . 1 . 1 153 153 THR HG22 H 1 1.157 0.002 . 1 . . . . A 151 THR HG22 . 34748 1 1900 . 1 . 1 153 153 THR HG23 H 1 1.157 0.002 . 1 . . . . A 151 THR HG23 . 34748 1 1901 . 1 . 1 153 153 THR C C 13 174.159 0.005 . 1 . . . . A 151 THR C . 34748 1 1902 . 1 . 1 153 153 THR CA C 13 61.575 0.022 . 1 . . . . A 151 THR CA . 34748 1 1903 . 1 . 1 153 153 THR CB C 13 70.066 0.025 . 1 . . . . A 151 THR CB . 34748 1 1904 . 1 . 1 153 153 THR CG2 C 13 21.687 0.020 . 1 . . . . A 151 THR CG2 . 34748 1 1905 . 1 . 1 153 153 THR N N 15 113.150 0.005 . 1 . . . . A 151 THR N . 34748 1 1906 . 1 . 1 154 154 ASP H H 1 8.482 0.001 . 1 . . . . A 152 ASP H . 34748 1 1907 . 1 . 1 154 154 ASP HA H 1 4.869 0.002 . 1 . . . . A 152 ASP HA . 34748 1 1908 . 1 . 1 154 154 ASP HB2 H 1 2.548 0.002 . 2 . . . . A 152 ASP HB2 . 34748 1 1909 . 1 . 1 154 154 ASP HB3 H 1 2.745 0.002 . 2 . . . . A 152 ASP HB3 . 34748 1 1910 . 1 . 1 154 154 ASP C C 13 174.809 0.000 . 1 . . . . A 152 ASP C . 34748 1 1911 . 1 . 1 154 154 ASP CA C 13 52.385 0.020 . 1 . . . . A 152 ASP CA . 34748 1 1912 . 1 . 1 154 154 ASP CB C 13 41.405 0.021 . 1 . . . . A 152 ASP CB . 34748 1 1913 . 1 . 1 154 154 ASP N N 15 124.466 0.010 . 1 . . . . A 152 ASP N . 34748 1 1914 . 1 . 1 155 155 PRO HA H 1 4.344 0.003 . 1 . . . . A 153 PRO HA . 34748 1 1915 . 1 . 1 155 155 PRO HB2 H 1 1.652 0.002 . 2 . . . . A 153 PRO HB2 . 34748 1 1916 . 1 . 1 155 155 PRO HB3 H 1 2.143 0.001 . 2 . . . . A 153 PRO HB3 . 34748 1 1917 . 1 . 1 155 155 PRO HG2 H 1 1.754 0.003 . 2 . . . . A 153 PRO HG2 . 34748 1 1918 . 1 . 1 155 155 PRO HG3 H 1 1.899 0.002 . 2 . . . . A 153 PRO HG3 . 34748 1 1919 . 1 . 1 155 155 PRO HD2 H 1 3.698 0.002 . 2 . . . . A 153 PRO HD2 . 34748 1 1920 . 1 . 1 155 155 PRO HD3 H 1 3.822 0.002 . 2 . . . . A 153 PRO HD3 . 34748 1 1921 . 1 . 1 155 155 PRO C C 13 176.847 0.000 . 1 . . . . A 153 PRO C . 34748 1 1922 . 1 . 1 155 155 PRO CA C 13 63.525 0.030 . 1 . . . . A 153 PRO CA . 34748 1 1923 . 1 . 1 155 155 PRO CB C 13 31.967 0.015 . 1 . . . . A 153 PRO CB . 34748 1 1924 . 1 . 1 155 155 PRO CG C 13 27.021 0.018 . 1 . . . . A 153 PRO CG . 34748 1 1925 . 1 . 1 155 155 PRO CD C 13 50.742 0.024 . 1 . . . . A 153 PRO CD . 34748 1 1926 . 1 . 1 156 156 TYR H H 1 8.232 0.001 . 1 . . . . A 154 TYR H . 34748 1 1927 . 1 . 1 156 156 TYR HA H 1 4.499 0.002 . 1 . . . . A 154 TYR HA . 34748 1 1928 . 1 . 1 156 156 TYR HB2 H 1 2.949 0.002 . 2 . . . . A 154 TYR HB2 . 34748 1 1929 . 1 . 1 156 156 TYR HB3 H 1 3.072 0.001 . 2 . . . . A 154 TYR HB3 . 34748 1 1930 . 1 . 1 156 156 TYR HD1 H 1 7.093 0.001 . 1 . . . . A 154 TYR HD1 . 34748 1 1931 . 1 . 1 156 156 TYR HD2 H 1 7.093 0.001 . 1 . . . . A 154 TYR HD2 . 34748 1 1932 . 1 . 1 156 156 TYR HE1 H 1 6.792 0.001 . 1 . . . . A 154 TYR HE1 . 34748 1 1933 . 1 . 1 156 156 TYR HE2 H 1 6.792 0.001 . 1 . . . . A 154 TYR HE2 . 34748 1 1934 . 1 . 1 156 156 TYR C C 13 176.020 0.010 . 1 . . . . A 154 TYR C . 34748 1 1935 . 1 . 1 156 156 TYR CA C 13 58.056 0.023 . 1 . . . . A 154 TYR CA . 34748 1 1936 . 1 . 1 156 156 TYR CB C 13 38.358 0.032 . 1 . . . . A 154 TYR CB . 34748 1 1937 . 1 . 1 156 156 TYR CD1 C 13 133.179 0.037 . 1 . . . . A 154 TYR CD1 . 34748 1 1938 . 1 . 1 156 156 TYR CD2 C 13 133.179 0.037 . 1 . . . . A 154 TYR CD2 . 34748 1 1939 . 1 . 1 156 156 TYR CE1 C 13 118.223 0.001 . 1 . . . . A 154 TYR CE1 . 34748 1 1940 . 1 . 1 156 156 TYR CE2 C 13 118.223 0.001 . 1 . . . . A 154 TYR CE2 . 34748 1 1941 . 1 . 1 156 156 TYR N N 15 119.330 0.024 . 1 . . . . A 154 TYR N . 34748 1 1942 . 1 . 1 157 157 GLU H H 1 7.936 0.002 . 1 . . . . A 155 GLU H . 34748 1 1943 . 1 . 1 157 157 GLU HA H 1 4.155 0.002 . 1 . . . . A 155 GLU HA . 34748 1 1944 . 1 . 1 157 157 GLU HB2 H 1 1.875 0.001 . 2 . . . . A 155 GLU HB2 . 34748 1 1945 . 1 . 1 157 157 GLU HB3 H 1 1.923 0.002 . 2 . . . . A 155 GLU HB3 . 34748 1 1946 . 1 . 1 157 157 GLU HG2 H 1 2.149 0.008 . 2 . . . . A 155 GLU HG2 . 34748 1 1947 . 1 . 1 157 157 GLU HG3 H 1 2.172 0.001 . 2 . . . . A 155 GLU HG3 . 34748 1 1948 . 1 . 1 157 157 GLU C C 13 175.852 0.032 . 1 . . . . A 155 GLU C . 34748 1 1949 . 1 . 1 157 157 GLU CA C 13 56.811 0.014 . 1 . . . . A 155 GLU CA . 34748 1 1950 . 1 . 1 157 157 GLU CB C 13 30.573 0.015 . 1 . . . . A 155 GLU CB . 34748 1 1951 . 1 . 1 157 157 GLU CG C 13 36.176 0.010 . 1 . . . . A 155 GLU CG . 34748 1 1952 . 1 . 1 157 157 GLU N N 15 121.945 0.022 . 1 . . . . A 155 GLU N . 34748 1 1953 . 1 . 1 158 158 ASP H H 1 8.227 0.002 . 1 . . . . A 156 ASP H . 34748 1 1954 . 1 . 1 158 158 ASP HA H 1 4.536 0.002 . 1 . . . . A 156 ASP HA . 34748 1 1955 . 1 . 1 158 158 ASP HB2 H 1 2.525 0.002 . 2 . . . . A 156 ASP HB2 . 34748 1 1956 . 1 . 1 158 158 ASP HB3 H 1 2.625 0.002 . 2 . . . . A 156 ASP HB3 . 34748 1 1957 . 1 . 1 158 158 ASP C C 13 176.098 0.009 . 1 . . . . A 156 ASP C . 34748 1 1958 . 1 . 1 158 158 ASP CA C 13 54.367 0.016 . 1 . . . . A 156 ASP CA . 34748 1 1959 . 1 . 1 158 158 ASP CB C 13 41.226 0.016 . 1 . . . . A 156 ASP CB . 34748 1 1960 . 1 . 1 158 158 ASP N N 15 121.061 0.013 . 1 . . . . A 156 ASP N . 34748 1 1961 . 1 . 1 159 159 PHE H H 1 8.113 0.001 . 1 . . . . A 157 PHE H . 34748 1 1962 . 1 . 1 159 159 PHE HA H 1 4.500 0.002 . 1 . . . . A 157 PHE HA . 34748 1 1963 . 1 . 1 159 159 PHE HB2 H 1 3.034 0.001 . 2 . . . . A 157 PHE HB2 . 34748 1 1964 . 1 . 1 159 159 PHE HB3 H 1 3.097 0.001 . 2 . . . . A 157 PHE HB3 . 34748 1 1965 . 1 . 1 159 159 PHE HD1 H 1 7.182 0.001 . 1 . . . . A 157 PHE HD1 . 34748 1 1966 . 1 . 1 159 159 PHE HD2 H 1 7.182 0.001 . 1 . . . . A 157 PHE HD2 . 34748 1 1967 . 1 . 1 159 159 PHE HE1 H 1 7.293 0.000 . 1 . . . . A 157 PHE HE1 . 34748 1 1968 . 1 . 1 159 159 PHE HE2 H 1 7.293 0.000 . 1 . . . . A 157 PHE HE2 . 34748 1 1969 . 1 . 1 159 159 PHE HZ H 1 7.236 0.000 . 1 . . . . A 157 PHE HZ . 34748 1 1970 . 1 . 1 159 159 PHE C C 13 175.903 0.002 . 1 . . . . A 157 PHE C . 34748 1 1971 . 1 . 1 159 159 PHE CA C 13 58.272 0.025 . 1 . . . . A 157 PHE CA . 34748 1 1972 . 1 . 1 159 159 PHE CB C 13 39.294 0.014 . 1 . . . . A 157 PHE CB . 34748 1 1973 . 1 . 1 159 159 PHE CD1 C 13 131.766 0.077 . 1 . . . . A 157 PHE CD1 . 34748 1 1974 . 1 . 1 159 159 PHE CD2 C 13 131.766 0.077 . 1 . . . . A 157 PHE CD2 . 34748 1 1975 . 1 . 1 159 159 PHE CE1 C 13 131.566 0.003 . 1 . . . . A 157 PHE CE1 . 34748 1 1976 . 1 . 1 159 159 PHE CE2 C 13 131.566 0.003 . 1 . . . . A 157 PHE CE2 . 34748 1 1977 . 1 . 1 159 159 PHE CZ C 13 129.864 0.002 . 1 . . . . A 157 PHE CZ . 34748 1 1978 . 1 . 1 159 159 PHE N N 15 120.760 0.015 . 1 . . . . A 157 PHE N . 34748 1 1979 . 1 . 1 160 160 GLN H H 1 8.106 0.002 . 1 . . . . A 158 GLN H . 34748 1 1980 . 1 . 1 160 160 GLN HA H 1 4.133 0.003 . 1 . . . . A 158 GLN HA . 34748 1 1981 . 1 . 1 160 160 GLN HB2 H 1 1.869 0.001 . 2 . . . . A 158 GLN HB2 . 34748 1 1982 . 1 . 1 160 160 GLN HB3 H 1 2.008 0.001 . 2 . . . . A 158 GLN HB3 . 34748 1 1983 . 1 . 1 160 160 GLN HG2 H 1 2.206 0.001 . 2 . . . . A 158 GLN HG2 . 34748 1 1984 . 1 . 1 160 160 GLN HG3 H 1 2.224 0.000 . 2 . . . . A 158 GLN HG3 . 34748 1 1985 . 1 . 1 160 160 GLN HE21 H 1 6.786 0.002 . 1 . . . . A 158 GLN HE21 . 34748 1 1986 . 1 . 1 160 160 GLN HE22 H 1 7.501 0.002 . 1 . . . . A 158 GLN HE22 . 34748 1 1987 . 1 . 1 160 160 GLN C C 13 175.966 0.000 . 1 . . . . A 158 GLN C . 34748 1 1988 . 1 . 1 160 160 GLN CA C 13 56.090 0.027 . 1 . . . . A 158 GLN CA . 34748 1 1989 . 1 . 1 160 160 GLN CB C 13 29.404 0.014 . 1 . . . . A 158 GLN CB . 34748 1 1990 . 1 . 1 160 160 GLN CG C 13 33.762 0.012 . 1 . . . . A 158 GLN CG . 34748 1 1991 . 1 . 1 160 160 GLN CD C 13 180.394 0.013 . 1 . . . . A 158 GLN CD . 34748 1 1992 . 1 . 1 160 160 GLN N N 15 121.281 0.024 . 1 . . . . A 158 GLN N . 34748 1 1993 . 1 . 1 160 160 GLN NE2 N 15 112.641 0.010 . 1 . . . . A 158 GLN NE2 . 34748 1 1994 . 1 . 1 161 161 GLU H H 1 8.290 0.001 . 1 . . . . A 159 GLU H . 34748 1 1995 . 1 . 1 161 161 GLU HA H 1 4.109 0.002 . 1 . . . . A 159 GLU HA . 34748 1 1996 . 1 . 1 161 161 GLU HB2 H 1 1.858 0.004 . 2 . . . . A 159 GLU HB2 . 34748 1 1997 . 1 . 1 161 161 GLU HB3 H 1 1.880 0.003 . 2 . . . . A 159 GLU HB3 . 34748 1 1998 . 1 . 1 161 161 GLU HG2 H 1 2.178 0.003 . 2 . . . . A 159 GLU HG2 . 34748 1 1999 . 1 . 1 161 161 GLU HG3 H 1 2.211 0.001 . 2 . . . . A 159 GLU HG3 . 34748 1 2000 . 1 . 1 161 161 GLU C C 13 176.524 0.005 . 1 . . . . A 159 GLU C . 34748 1 2001 . 1 . 1 161 161 GLU CA C 13 57.076 0.012 . 1 . . . . A 159 GLU CA . 34748 1 2002 . 1 . 1 161 161 GLU CB C 13 29.981 0.010 . 1 . . . . A 159 GLU CB . 34748 1 2003 . 1 . 1 161 161 GLU CG C 13 36.192 0.000 . 1 . . . . A 159 GLU CG . 34748 1 2004 . 1 . 1 161 161 GLU N N 15 121.153 0.012 . 1 . . . . A 159 GLU N . 34748 1 2005 . 1 . 1 162 162 ASN H H 1 8.332 0.001 . 1 . . . . A 160 ASN H . 34748 1 2006 . 1 . 1 162 162 ASN HA H 1 4.630 0.002 . 1 . . . . A 160 ASN HA . 34748 1 2007 . 1 . 1 162 162 ASN HB2 H 1 2.730 0.003 . 2 . . . . A 160 ASN HB2 . 34748 1 2008 . 1 . 1 162 162 ASN HB3 H 1 2.763 0.002 . 2 . . . . A 160 ASN HB3 . 34748 1 2009 . 1 . 1 162 162 ASN HD21 H 1 6.920 0.002 . 1 . . . . A 160 ASN HD21 . 34748 1 2010 . 1 . 1 162 162 ASN HD22 H 1 7.560 0.002 . 1 . . . . A 160 ASN HD22 . 34748 1 2011 . 1 . 1 162 162 ASN C C 13 175.498 0.002 . 1 . . . . A 160 ASN C . 34748 1 2012 . 1 . 1 162 162 ASN CA C 13 53.619 0.040 . 1 . . . . A 160 ASN CA . 34748 1 2013 . 1 . 1 162 162 ASN CB C 13 38.794 0.045 . 1 . . . . A 160 ASN CB . 34748 1 2014 . 1 . 1 162 162 ASN CG C 13 176.947 0.013 . 1 . . . . A 160 ASN CG . 34748 1 2015 . 1 . 1 162 162 ASN N N 15 118.776 0.016 . 1 . . . . A 160 ASN N . 34748 1 2016 . 1 . 1 162 162 ASN ND2 N 15 112.968 0.018 . 1 . . . . A 160 ASN ND2 . 34748 1 2017 . 1 . 1 163 163 TRP H H 1 8.117 0.005 . 1 . . . . A 161 TRP H . 34748 1 2018 . 1 . 1 163 163 TRP HA H 1 4.529 0.002 . 1 . . . . A 161 TRP HA . 34748 1 2019 . 1 . 1 163 163 TRP HB2 H 1 3.238 0.001 . 2 . . . . A 161 TRP HB2 . 34748 1 2020 . 1 . 1 163 163 TRP HB3 H 1 3.297 0.002 . 2 . . . . A 161 TRP HB3 . 34748 1 2021 . 1 . 1 163 163 TRP HD1 H 1 7.219 0.001 . 1 . . . . A 161 TRP HD1 . 34748 1 2022 . 1 . 1 163 163 TRP HE1 H 1 10.129 0.002 . 1 . . . . A 161 TRP HE1 . 34748 1 2023 . 1 . 1 163 163 TRP HE3 H 1 7.556 0.002 . 1 . . . . A 161 TRP HE3 . 34748 1 2024 . 1 . 1 163 163 TRP HZ2 H 1 7.411 0.002 . 1 . . . . A 161 TRP HZ2 . 34748 1 2025 . 1 . 1 163 163 TRP HZ3 H 1 7.087 0.001 . 1 . . . . A 161 TRP HZ3 . 34748 1 2026 . 1 . 1 163 163 TRP HH2 H 1 7.155 0.002 . 1 . . . . A 161 TRP HH2 . 34748 1 2027 . 1 . 1 163 163 TRP C C 13 176.527 0.006 . 1 . . . . A 161 TRP C . 34748 1 2028 . 1 . 1 163 163 TRP CA C 13 58.168 0.029 . 1 . . . . A 161 TRP CA . 34748 1 2029 . 1 . 1 163 163 TRP CB C 13 29.296 0.021 . 1 . . . . A 161 TRP CB . 34748 1 2030 . 1 . 1 163 163 TRP CD1 C 13 127.067 0.015 . 1 . . . . A 161 TRP CD1 . 34748 1 2031 . 1 . 1 163 163 TRP CE3 C 13 120.863 0.018 . 1 . . . . A 161 TRP CE3 . 34748 1 2032 . 1 . 1 163 163 TRP CZ2 C 13 114.626 0.009 . 1 . . . . A 161 TRP CZ2 . 34748 1 2033 . 1 . 1 163 163 TRP CZ3 C 13 122.027 0.014 . 1 . . . . A 161 TRP CZ3 . 34748 1 2034 . 1 . 1 163 163 TRP CH2 C 13 124.671 0.049 . 1 . . . . A 161 TRP CH2 . 34748 1 2035 . 1 . 1 163 163 TRP N N 15 121.329 0.019 . 1 . . . . A 161 TRP N . 34748 1 2036 . 1 . 1 163 163 TRP NE1 N 15 129.513 0.011 . 1 . . . . A 161 TRP NE1 . 34748 1 2037 . 1 . 1 164 164 ASN H H 1 8.241 0.003 . 1 . . . . A 162 ASN H . 34748 1 2038 . 1 . 1 164 164 ASN HA H 1 4.614 0.003 . 1 . . . . A 162 ASN HA . 34748 1 2039 . 1 . 1 164 164 ASN HB2 H 1 2.566 0.002 . 2 . . . . A 162 ASN HB2 . 34748 1 2040 . 1 . 1 164 164 ASN HB3 H 1 2.659 0.002 . 2 . . . . A 162 ASN HB3 . 34748 1 2041 . 1 . 1 164 164 ASN HD21 H 1 6.871 0.001 . 1 . . . . A 162 ASN HD21 . 34748 1 2042 . 1 . 1 164 164 ASN HD22 H 1 7.524 0.002 . 1 . . . . A 162 ASN HD22 . 34748 1 2043 . 1 . 1 164 164 ASN C C 13 175.791 0.001 . 1 . . . . A 162 ASN C . 34748 1 2044 . 1 . 1 164 164 ASN CA C 13 53.791 0.035 . 1 . . . . A 162 ASN CA . 34748 1 2045 . 1 . 1 164 164 ASN CB C 13 38.544 0.032 . 1 . . . . A 162 ASN CB . 34748 1 2046 . 1 . 1 164 164 ASN CG C 13 176.887 0.010 . 1 . . . . A 162 ASN CG . 34748 1 2047 . 1 . 1 164 164 ASN N N 15 119.040 0.009 . 1 . . . . A 162 ASN N . 34748 1 2048 . 1 . 1 164 164 ASN ND2 N 15 112.534 0.024 . 1 . . . . A 162 ASN ND2 . 34748 1 2049 . 1 . 1 165 165 THR H H 1 7.947 0.002 . 1 . . . . A 163 THR H . 34748 1 2050 . 1 . 1 165 165 THR HA H 1 4.231 0.001 . 1 . . . . A 163 THR HA . 34748 1 2051 . 1 . 1 165 165 THR HB H 1 4.231 0.001 . 1 . . . . A 163 THR HB . 34748 1 2052 . 1 . 1 165 165 THR HG21 H 1 1.161 0.001 . 1 . . . . A 163 THR HG21 . 34748 1 2053 . 1 . 1 165 165 THR HG22 H 1 1.161 0.001 . 1 . . . . A 163 THR HG22 . 34748 1 2054 . 1 . 1 165 165 THR HG23 H 1 1.161 0.001 . 1 . . . . A 163 THR HG23 . 34748 1 2055 . 1 . 1 165 165 THR C C 13 174.929 0.005 . 1 . . . . A 163 THR C . 34748 1 2056 . 1 . 1 165 165 THR CA C 13 62.558 0.016 . 1 . . . . A 163 THR CA . 34748 1 2057 . 1 . 1 165 165 THR CB C 13 69.552 0.004 . 1 . . . . A 163 THR CB . 34748 1 2058 . 1 . 1 165 165 THR CG2 C 13 21.662 0.002 . 1 . . . . A 163 THR CG2 . 34748 1 2059 . 1 . 1 165 165 THR N N 15 113.727 0.009 . 1 . . . . A 163 THR N . 34748 1 2060 . 1 . 1 166 166 LYS H H 1 8.109 0.002 . 1 . . . . A 164 LYS H . 34748 1 2061 . 1 . 1 166 166 LYS HA H 1 4.229 0.002 . 1 . . . . A 164 LYS HA . 34748 1 2062 . 1 . 1 166 166 LYS HB2 H 1 1.675 0.003 . 2 . . . . A 164 LYS HB2 . 34748 1 2063 . 1 . 1 166 166 LYS HB3 H 1 1.698 0.006 . 2 . . . . A 164 LYS HB3 . 34748 1 2064 . 1 . 1 166 166 LYS HG2 H 1 1.273 0.001 . 2 . . . . A 164 LYS HG2 . 34748 1 2065 . 1 . 1 166 166 LYS HG3 H 1 1.335 0.001 . 2 . . . . A 164 LYS HG3 . 34748 1 2066 . 1 . 1 166 166 LYS HD2 H 1 1.590 0.001 . 1 . . . . A 164 LYS HD2 . 34748 1 2067 . 1 . 1 166 166 LYS HD3 H 1 1.590 0.001 . 1 . . . . A 164 LYS HD3 . 34748 1 2068 . 1 . 1 166 166 LYS HE2 H 1 2.914 0.001 . 1 . . . . A 164 LYS HE2 . 34748 1 2069 . 1 . 1 166 166 LYS HE3 H 1 2.914 0.001 . 1 . . . . A 164 LYS HE3 . 34748 1 2070 . 1 . 1 166 166 LYS C C 13 176.557 0.004 . 1 . . . . A 164 LYS C . 34748 1 2071 . 1 . 1 166 166 LYS CA C 13 56.753 0.021 . 1 . . . . A 164 LYS CA . 34748 1 2072 . 1 . 1 166 166 LYS CB C 13 32.804 0.004 . 1 . . . . A 164 LYS CB . 34748 1 2073 . 1 . 1 166 166 LYS CG C 13 24.722 0.015 . 1 . . . . A 164 LYS CG . 34748 1 2074 . 1 . 1 166 166 LYS CD C 13 29.033 0.009 . 1 . . . . A 164 LYS CD . 34748 1 2075 . 1 . 1 166 166 LYS CE C 13 42.133 0.009 . 1 . . . . A 164 LYS CE . 34748 1 2076 . 1 . 1 166 166 LYS N N 15 122.565 0.008 . 1 . . . . A 164 LYS N . 34748 1 2077 . 1 . 1 167 167 HIS H H 1 8.202 0.003 . 1 . . . . A 165 HIS H . 34748 1 2078 . 1 . 1 167 167 HIS HA H 1 4.630 0.004 . 1 . . . . A 165 HIS HA . 34748 1 2079 . 1 . 1 167 167 HIS HB2 H 1 2.941 0.003 . 2 . . . . A 165 HIS HB2 . 34748 1 2080 . 1 . 1 167 167 HIS HB3 H 1 3.128 0.002 . 2 . . . . A 165 HIS HB3 . 34748 1 2081 . 1 . 1 167 167 HIS HD2 H 1 6.981 0.002 . 1 . . . . A 165 HIS HD2 . 34748 1 2082 . 1 . 1 167 167 HIS C C 13 175.333 0.009 . 1 . . . . A 165 HIS C . 34748 1 2083 . 1 . 1 167 167 HIS CA C 13 56.115 0.030 . 1 . . . . A 165 HIS CA . 34748 1 2084 . 1 . 1 167 167 HIS CB C 13 30.300 0.020 . 1 . . . . A 165 HIS CB . 34748 1 2085 . 1 . 1 167 167 HIS CD2 C 13 120.028 0.010 . 1 . . . . A 165 HIS CD2 . 34748 1 2086 . 1 . 1 167 167 HIS N N 15 119.572 0.009 . 1 . . . . A 165 HIS N . 34748 1 2087 . 1 . 1 168 168 SER H H 1 8.240 0.003 . 1 . . . . A 166 SER H . 34748 1 2088 . 1 . 1 168 168 SER HA H 1 4.466 0.002 . 1 . . . . A 166 SER HA . 34748 1 2089 . 1 . 1 168 168 SER HB2 H 1 3.848 0.001 . 2 . . . . A 166 SER HB2 . 34748 1 2090 . 1 . 1 168 168 SER HB3 H 1 3.894 0.001 . 2 . . . . A 166 SER HB3 . 34748 1 2091 . 1 . 1 168 168 SER C C 13 174.713 0.000 . 1 . . . . A 166 SER C . 34748 1 2092 . 1 . 1 168 168 SER CA C 13 58.498 0.022 . 1 . . . . A 166 SER CA . 34748 1 2093 . 1 . 1 168 168 SER CB C 13 63.837 0.021 . 1 . . . . A 166 SER CB . 34748 1 2094 . 1 . 1 168 168 SER N N 15 116.993 0.019 . 1 . . . . A 166 SER N . 34748 1 2095 . 1 . 1 169 169 SER H H 1 8.470 0.004 . 1 . . . . A 167 SER H . 34748 1 2096 . 1 . 1 169 169 SER HA H 1 4.474 0.001 . 1 . . . . A 167 SER HA . 34748 1 2097 . 1 . 1 169 169 SER HB2 H 1 3.900 0.001 . 2 . . . . A 167 SER HB2 . 34748 1 2098 . 1 . 1 169 169 SER HB3 H 1 3.935 0.001 . 2 . . . . A 167 SER HB3 . 34748 1 2099 . 1 . 1 169 169 SER C C 13 175.092 0.003 . 1 . . . . A 167 SER C . 34748 1 2100 . 1 . 1 169 169 SER CA C 13 58.755 0.033 . 1 . . . . A 167 SER CA . 34748 1 2101 . 1 . 1 169 169 SER CB C 13 63.875 0.013 . 1 . . . . A 167 SER CB . 34748 1 2102 . 1 . 1 169 169 SER N N 15 117.898 0.011 . 1 . . . . A 167 SER N . 34748 1 2103 . 1 . 1 170 170 GLY H H 1 8.419 0.002 . 1 . . . . A 168 GLY H . 34748 1 2104 . 1 . 1 170 170 GLY HA2 H 1 3.983 0.000 . 1 . . . . A 168 GLY HA2 . 34748 1 2105 . 1 . 1 170 170 GLY HA3 H 1 3.983 0.000 . 1 . . . . A 168 GLY HA3 . 34748 1 2106 . 1 . 1 170 170 GLY C C 13 174.218 0.011 . 1 . . . . A 168 GLY C . 34748 1 2107 . 1 . 1 170 170 GLY CA C 13 45.503 0.005 . 1 . . . . A 168 GLY CA . 34748 1 2108 . 1 . 1 170 170 GLY N N 15 110.722 0.029 . 1 . . . . A 168 GLY N . 34748 1 2109 . 1 . 1 171 171 VAL H H 1 7.959 0.001 . 1 . . . . A 169 VAL H . 34748 1 2110 . 1 . 1 171 171 VAL HA H 1 4.163 0.002 . 1 . . . . A 169 VAL HA . 34748 1 2111 . 1 . 1 171 171 VAL HB H 1 2.080 0.001 . 1 . . . . A 169 VAL HB . 34748 1 2112 . 1 . 1 171 171 VAL HG11 H 1 0.924 0.000 . 1 . . . . A 169 VAL HG11 . 34748 1 2113 . 1 . 1 171 171 VAL HG12 H 1 0.924 0.000 . 1 . . . . A 169 VAL HG12 . 34748 1 2114 . 1 . 1 171 171 VAL HG13 H 1 0.924 0.000 . 1 . . . . A 169 VAL HG13 . 34748 1 2115 . 1 . 1 171 171 VAL HG21 H 1 0.920 0.001 . 1 . . . . A 169 VAL HG21 . 34748 1 2116 . 1 . 1 171 171 VAL HG22 H 1 0.920 0.001 . 1 . . . . A 169 VAL HG22 . 34748 1 2117 . 1 . 1 171 171 VAL HG23 H 1 0.920 0.001 . 1 . . . . A 169 VAL HG23 . 34748 1 2118 . 1 . 1 171 171 VAL C C 13 176.511 0.009 . 1 . . . . A 169 VAL C . 34748 1 2119 . 1 . 1 171 171 VAL CA C 13 62.601 0.034 . 1 . . . . A 169 VAL CA . 34748 1 2120 . 1 . 1 171 171 VAL CB C 13 32.741 0.047 . 1 . . . . A 169 VAL CB . 34748 1 2121 . 1 . 1 171 171 VAL CG1 C 13 21.225 0.005 . 1 . . . . A 169 VAL CG1 . 34748 1 2122 . 1 . 1 171 171 VAL CG2 C 13 20.629 0.011 . 1 . . . . A 169 VAL CG2 . 34748 1 2123 . 1 . 1 171 171 VAL N N 15 119.434 0.010 . 1 . . . . A 169 VAL N . 34748 1 2124 . 1 . 1 172 172 THR H H 1 8.112 0.002 . 1 . . . . A 170 THR H . 34748 1 2125 . 1 . 1 172 172 THR HA H 1 4.316 0.002 . 1 . . . . A 170 THR HA . 34748 1 2126 . 1 . 1 172 172 THR HB H 1 4.256 0.002 . 1 . . . . A 170 THR HB . 34748 1 2127 . 1 . 1 172 172 THR HG21 H 1 1.214 0.002 . 1 . . . . A 170 THR HG21 . 34748 1 2128 . 1 . 1 172 172 THR HG22 H 1 1.214 0.002 . 1 . . . . A 170 THR HG22 . 34748 1 2129 . 1 . 1 172 172 THR HG23 H 1 1.214 0.002 . 1 . . . . A 170 THR HG23 . 34748 1 2130 . 1 . 1 172 172 THR C C 13 174.739 0.005 . 1 . . . . A 170 THR C . 34748 1 2131 . 1 . 1 172 172 THR CA C 13 62.205 0.039 . 1 . . . . A 170 THR CA . 34748 1 2132 . 1 . 1 172 172 THR CB C 13 69.823 0.026 . 1 . . . . A 170 THR CB . 34748 1 2133 . 1 . 1 172 172 THR CG2 C 13 21.830 0.012 . 1 . . . . A 170 THR CG2 . 34748 1 2134 . 1 . 1 172 172 THR N N 15 117.885 0.015 . 1 . . . . A 170 THR N . 34748 1 2135 . 1 . 1 173 173 ARG H H 1 8.396 0.001 . 1 . . . . A 171 ARG H . 34748 1 2136 . 1 . 1 173 173 ARG HA H 1 4.239 0.001 . 1 . . . . A 171 ARG HA . 34748 1 2137 . 1 . 1 173 173 ARG HB2 H 1 1.770 0.003 . 2 . . . . A 171 ARG HB2 . 34748 1 2138 . 1 . 1 173 173 ARG HB3 H 1 1.833 0.005 . 2 . . . . A 171 ARG HB3 . 34748 1 2139 . 1 . 1 173 173 ARG HG2 H 1 1.581 0.001 . 2 . . . . A 171 ARG HG2 . 34748 1 2140 . 1 . 1 173 173 ARG HG3 H 1 1.629 0.001 . 2 . . . . A 171 ARG HG3 . 34748 1 2141 . 1 . 1 173 173 ARG HD2 H 1 3.160 0.002 . 1 . . . . A 171 ARG HD2 . 34748 1 2142 . 1 . 1 173 173 ARG HD3 H 1 3.160 0.000 . 1 . . . . A 171 ARG HD3 . 34748 1 2143 . 1 . 1 173 173 ARG C C 13 176.746 0.004 . 1 . . . . A 171 ARG C . 34748 1 2144 . 1 . 1 173 173 ARG CA C 13 56.983 0.002 . 1 . . . . A 171 ARG CA . 34748 1 2145 . 1 . 1 173 173 ARG CB C 13 30.672 0.003 . 1 . . . . A 171 ARG CB . 34748 1 2146 . 1 . 1 173 173 ARG CG C 13 27.173 0.000 . 1 . . . . A 171 ARG CG . 34748 1 2147 . 1 . 1 173 173 ARG CD C 13 43.354 0.000 . 1 . . . . A 171 ARG CD . 34748 1 2148 . 1 . 1 173 173 ARG N N 15 123.281 0.021 . 1 . . . . A 171 ARG N . 34748 1 2149 . 1 . 1 174 174 GLU H H 1 8.443 0.001 . 1 . . . . A 172 GLU H . 34748 1 2150 . 1 . 1 174 174 GLU HA H 1 4.198 0.001 . 1 . . . . A 172 GLU HA . 34748 1 2151 . 1 . 1 174 174 GLU HB2 H 1 1.957 0.001 . 2 . . . . A 172 GLU HB2 . 34748 1 2152 . 1 . 1 174 174 GLU HB3 H 1 2.021 0.002 . 2 . . . . A 172 GLU HB3 . 34748 1 2153 . 1 . 1 174 174 GLU HG2 H 1 2.266 0.001 . 1 . . . . A 172 GLU HG2 . 34748 1 2154 . 1 . 1 174 174 GLU HG3 H 1 2.266 0.001 . 1 . . . . A 172 GLU HG3 . 34748 1 2155 . 1 . 1 174 174 GLU C C 13 176.824 0.055 . 1 . . . . A 172 GLU C . 34748 1 2156 . 1 . 1 174 174 GLU CA C 13 57.347 0.019 . 1 . . . . A 172 GLU CA . 34748 1 2157 . 1 . 1 174 174 GLU CB C 13 29.957 0.016 . 1 . . . . A 172 GLU CB . 34748 1 2158 . 1 . 1 174 174 GLU CG C 13 36.367 0.000 . 1 . . . . A 172 GLU CG . 34748 1 2159 . 1 . 1 174 174 GLU N N 15 121.308 0.013 . 1 . . . . A 172 GLU N . 34748 1 2160 . 1 . 1 175 175 LEU H H 1 8.137 0.002 . 1 . . . . A 173 LEU H . 34748 1 2161 . 1 . 1 175 175 LEU HA H 1 4.287 0.001 . 1 . . . . A 173 LEU HA . 34748 1 2162 . 1 . 1 175 175 LEU HB2 H 1 1.590 0.000 . 2 . . . . A 173 LEU HB2 . 34748 1 2163 . 1 . 1 175 175 LEU HB3 H 1 1.654 0.001 . 2 . . . . A 173 LEU HB3 . 34748 1 2164 . 1 . 1 175 175 LEU HG H 1 1.617 0.006 . 1 . . . . A 173 LEU HG . 34748 1 2165 . 1 . 1 175 175 LEU HD11 H 1 0.913 0.003 . 1 . . . . A 173 LEU HD11 . 34748 1 2166 . 1 . 1 175 175 LEU HD12 H 1 0.913 0.003 . 1 . . . . A 173 LEU HD12 . 34748 1 2167 . 1 . 1 175 175 LEU HD13 H 1 0.913 0.003 . 1 . . . . A 173 LEU HD13 . 34748 1 2168 . 1 . 1 175 175 LEU HD21 H 1 0.860 0.000 . 1 . . . . A 173 LEU HD21 . 34748 1 2169 . 1 . 1 175 175 LEU HD22 H 1 0.860 0.000 . 1 . . . . A 173 LEU HD22 . 34748 1 2170 . 1 . 1 175 175 LEU HD23 H 1 0.860 0.000 . 1 . . . . A 173 LEU HD23 . 34748 1 2171 . 1 . 1 175 175 LEU C C 13 177.725 0.003 . 1 . . . . A 173 LEU C . 34748 1 2172 . 1 . 1 175 175 LEU CA C 13 55.778 0.005 . 1 . . . . A 173 LEU CA . 34748 1 2173 . 1 . 1 175 175 LEU CB C 13 42.233 0.006 . 1 . . . . A 173 LEU CB . 34748 1 2174 . 1 . 1 175 175 LEU CG C 13 27.032 0.000 . 1 . . . . A 173 LEU CG . 34748 1 2175 . 1 . 1 175 175 LEU CD1 C 13 24.862 0.005 . 1 . . . . A 173 LEU CD1 . 34748 1 2176 . 1 . 1 175 175 LEU CD2 C 13 23.645 0.002 . 1 . . . . A 173 LEU CD2 . 34748 1 2177 . 1 . 1 175 175 LEU N N 15 122.568 0.012 . 1 . . . . A 173 LEU N . 34748 1 2178 . 1 . 1 176 176 MET H H 1 8.249 0.001 . 1 . . . . A 174 MET H . 34748 1 2179 . 1 . 1 176 176 MET HA H 1 4.387 0.003 . 1 . . . . A 174 MET HA . 34748 1 2180 . 1 . 1 176 176 MET HB2 H 1 2.038 0.000 . 2 . . . . A 174 MET HB2 . 34748 1 2181 . 1 . 1 176 176 MET HB3 H 1 2.085 0.000 . 2 . . . . A 174 MET HB3 . 34748 1 2182 . 1 . 1 176 176 MET HG2 H 1 2.521 0.001 . 2 . . . . A 174 MET HG2 . 34748 1 2183 . 1 . 1 176 176 MET HG3 H 1 2.610 0.001 . 2 . . . . A 174 MET HG3 . 34748 1 2184 . 1 . 1 176 176 MET HE1 H 1 2.068 0.001 . 1 . . . . A 174 MET HE1 . 34748 1 2185 . 1 . 1 176 176 MET HE2 H 1 2.068 0.001 . 1 . . . . A 174 MET HE2 . 34748 1 2186 . 1 . 1 176 176 MET HE3 H 1 2.068 0.001 . 1 . . . . A 174 MET HE3 . 34748 1 2187 . 1 . 1 176 176 MET C C 13 176.584 0.001 . 1 . . . . A 174 MET C . 34748 1 2188 . 1 . 1 176 176 MET CA C 13 56.065 0.017 . 1 . . . . A 174 MET CA . 34748 1 2189 . 1 . 1 176 176 MET CB C 13 32.484 0.017 . 1 . . . . A 174 MET CB . 34748 1 2190 . 1 . 1 176 176 MET CG C 13 32.151 0.036 . 1 . . . . A 174 MET CG . 34748 1 2191 . 1 . 1 176 176 MET CE C 13 17.061 0.020 . 1 . . . . A 174 MET CE . 34748 1 2192 . 1 . 1 176 176 MET N N 15 120.235 0.016 . 1 . . . . A 174 MET N . 34748 1 2193 . 1 . 1 177 177 ARG H H 1 8.146 0.001 . 1 . . . . A 175 ARG H . 34748 1 2194 . 1 . 1 177 177 ARG HA H 1 4.254 0.000 . 1 . . . . A 175 ARG HA . 34748 1 2195 . 1 . 1 177 177 ARG HB2 H 1 1.784 0.001 . 2 . . . . A 175 ARG HB2 . 34748 1 2196 . 1 . 1 177 177 ARG HB3 H 1 1.847 0.000 . 2 . . . . A 175 ARG HB3 . 34748 1 2197 . 1 . 1 177 177 ARG HG2 H 1 1.592 0.002 . 2 . . . . A 175 ARG HG2 . 34748 1 2198 . 1 . 1 177 177 ARG HG3 H 1 1.642 0.000 . 2 . . . . A 175 ARG HG3 . 34748 1 2199 . 1 . 1 177 177 ARG HD2 H 1 3.189 0.001 . 1 . . . . A 175 ARG HD2 . 34748 1 2200 . 1 . 1 177 177 ARG HD3 H 1 3.189 0.000 . 1 . . . . A 175 ARG HD3 . 34748 1 2201 . 1 . 1 177 177 ARG C C 13 176.664 0.056 . 1 . . . . A 175 ARG C . 34748 1 2202 . 1 . 1 177 177 ARG CA C 13 56.882 0.010 . 1 . . . . A 175 ARG CA . 34748 1 2203 . 1 . 1 177 177 ARG CB C 13 30.761 0.015 . 1 . . . . A 175 ARG CB . 34748 1 2204 . 1 . 1 177 177 ARG CG C 13 27.173 0.001 . 1 . . . . A 175 ARG CG . 34748 1 2205 . 1 . 1 177 177 ARG CD C 13 43.403 0.001 . 1 . . . . A 175 ARG CD . 34748 1 2206 . 1 . 1 177 177 ARG N N 15 121.566 0.008 . 1 . . . . A 175 ARG N . 34748 1 2207 . 1 . 1 178 178 GLU H H 1 8.362 0.002 . 1 . . . . A 176 GLU H . 34748 1 2208 . 1 . 1 178 178 GLU HA H 1 4.234 0.011 . 1 . . . . A 176 GLU HA . 34748 1 2209 . 1 . 1 178 178 GLU HB2 H 1 1.968 0.004 . 2 . . . . A 176 GLU HB2 . 34748 1 2210 . 1 . 1 178 178 GLU HB3 H 1 2.062 0.000 . 2 . . . . A 176 GLU HB3 . 34748 1 2211 . 1 . 1 178 178 GLU HG2 H 1 2.234 0.002 . 2 . . . . A 176 GLU HG2 . 34748 1 2212 . 1 . 1 178 178 GLU HG3 H 1 2.289 0.001 . 2 . . . . A 176 GLU HG3 . 34748 1 2213 . 1 . 1 178 178 GLU C C 13 176.963 0.003 . 1 . . . . A 176 GLU C . 34748 1 2214 . 1 . 1 178 178 GLU CA C 13 57.032 0.032 . 1 . . . . A 176 GLU CA . 34748 1 2215 . 1 . 1 178 178 GLU CB C 13 30.061 0.004 . 1 . . . . A 176 GLU CB . 34748 1 2216 . 1 . 1 178 178 GLU CG C 13 36.320 0.000 . 1 . . . . A 176 GLU CG . 34748 1 2217 . 1 . 1 178 178 GLU N N 15 121.265 0.011 . 1 . . . . A 176 GLU N . 34748 1 2218 . 1 . 1 179 179 LEU H H 1 8.245 0.001 . 1 . . . . A 177 LEU H . 34748 1 2219 . 1 . 1 179 179 LEU HA H 1 4.318 0.001 . 1 . . . . A 177 LEU HA . 34748 1 2220 . 1 . 1 179 179 LEU HB2 H 1 1.585 0.002 . 2 . . . . A 177 LEU HB2 . 34748 1 2221 . 1 . 1 179 179 LEU HB3 H 1 1.671 0.002 . 2 . . . . A 177 LEU HB3 . 34748 1 2222 . 1 . 1 179 179 LEU HG H 1 1.636 0.003 . 1 . . . . A 177 LEU HG . 34748 1 2223 . 1 . 1 179 179 LEU HD11 H 1 0.910 0.000 . 1 . . . . A 177 LEU HD11 . 34748 1 2224 . 1 . 1 179 179 LEU HD12 H 1 0.910 0.000 . 1 . . . . A 177 LEU HD12 . 34748 1 2225 . 1 . 1 179 179 LEU HD13 H 1 0.910 0.000 . 1 . . . . A 177 LEU HD13 . 34748 1 2226 . 1 . 1 179 179 LEU HD21 H 1 0.857 0.000 . 1 . . . . A 177 LEU HD21 . 34748 1 2227 . 1 . 1 179 179 LEU HD22 H 1 0.857 0.000 . 1 . . . . A 177 LEU HD22 . 34748 1 2228 . 1 . 1 179 179 LEU HD23 H 1 0.857 0.000 . 1 . . . . A 177 LEU HD23 . 34748 1 2229 . 1 . 1 179 179 LEU C C 13 177.489 0.001 . 1 . . . . A 177 LEU C . 34748 1 2230 . 1 . 1 179 179 LEU CA C 13 55.577 0.008 . 1 . . . . A 177 LEU CA . 34748 1 2231 . 1 . 1 179 179 LEU CB C 13 42.257 0.008 . 1 . . . . A 177 LEU CB . 34748 1 2232 . 1 . 1 179 179 LEU CG C 13 27.010 0.000 . 1 . . . . A 177 LEU CG . 34748 1 2233 . 1 . 1 179 179 LEU CD1 C 13 25.036 0.001 . 1 . . . . A 177 LEU CD1 . 34748 1 2234 . 1 . 1 179 179 LEU CD2 C 13 23.438 0.001 . 1 . . . . A 177 LEU CD2 . 34748 1 2235 . 1 . 1 179 179 LEU N N 15 122.482 0.005 . 1 . . . . A 177 LEU N . 34748 1 2236 . 1 . 1 180 180 ASN H H 1 8.378 0.001 . 1 . . . . A 178 ASN H . 34748 1 2237 . 1 . 1 180 180 ASN HA H 1 4.735 0.002 . 1 . . . . A 178 ASN HA . 34748 1 2238 . 1 . 1 180 180 ASN HB2 H 1 2.783 0.002 . 2 . . . . A 178 ASN HB2 . 34748 1 2239 . 1 . 1 180 180 ASN HB3 H 1 2.872 0.002 . 2 . . . . A 178 ASN HB3 . 34748 1 2240 . 1 . 1 180 180 ASN HD21 H 1 6.921 0.002 . 1 . . . . A 178 ASN HD21 . 34748 1 2241 . 1 . 1 180 180 ASN HD22 H 1 7.619 0.002 . 1 . . . . A 178 ASN HD22 . 34748 1 2242 . 1 . 1 180 180 ASN C C 13 175.636 0.003 . 1 . . . . A 178 ASN C . 34748 1 2243 . 1 . 1 180 180 ASN CA C 13 53.447 0.032 . 1 . . . . A 178 ASN CA . 34748 1 2244 . 1 . 1 180 180 ASN CB C 13 39.110 0.031 . 1 . . . . A 178 ASN CB . 34748 1 2245 . 1 . 1 180 180 ASN CG C 13 177.244 0.009 . 1 . . . . A 178 ASN CG . 34748 1 2246 . 1 . 1 180 180 ASN N N 15 118.671 0.009 . 1 . . . . A 178 ASN N . 34748 1 2247 . 1 . 1 180 180 ASN ND2 N 15 113.068 0.012 . 1 . . . . A 178 ASN ND2 . 34748 1 2248 . 1 . 1 181 181 GLY H H 1 8.296 0.001 . 1 . . . . A 179 GLY H . 34748 1 2249 . 1 . 1 181 181 GLY HA2 H 1 3.967 0.002 . 1 . . . . A 179 GLY HA2 . 34748 1 2250 . 1 . 1 181 181 GLY HA3 H 1 3.967 0.002 . 1 . . . . A 179 GLY HA3 . 34748 1 2251 . 1 . 1 181 181 GLY C C 13 173.803 0.002 . 1 . . . . A 179 GLY C . 34748 1 2252 . 1 . 1 181 181 GLY CA C 13 45.565 0.008 . 1 . . . . A 179 GLY CA . 34748 1 2253 . 1 . 1 181 181 GLY N N 15 109.566 0.009 . 1 . . . . A 179 GLY N . 34748 1 2254 . 1 . 1 182 182 GLY H H 1 7.972 0.001 . 1 . . . . A 180 GLY H . 34748 1 2255 . 1 . 1 182 182 GLY HA2 H 1 3.764 0.001 . 1 . . . . A 180 GLY HA2 . 34748 1 2256 . 1 . 1 182 182 GLY HA3 H 1 3.764 0.001 . 1 . . . . A 180 GLY HA3 . 34748 1 2257 . 1 . 1 182 182 GLY C C 13 179.102 0.000 . 1 . . . . A 180 GLY C . 34748 1 2258 . 1 . 1 182 182 GLY CA C 13 46.040 0.041 . 1 . . . . A 180 GLY CA . 34748 1 2259 . 1 . 1 182 182 GLY N N 15 115.134 0.009 . 1 . . . . A 180 GLY N . 34748 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34748 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 24 _Spectral_peak_list.Experiment_name '3D NOESY-13C HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Position F1 Position F2 Position F3 Assign F1 Assign F2 Assign F3 Height Volume Line Width F1 (Hz) Line Width F2 (Hz) Line Width F3 (Hz) 7 7.09912 133.27965 7.09940 136TyrHd* 136TyrCd* 136TyrHd* 2.20203e+09 4.50220e+10 31.10782 225.87946 42.74656 13 7.23616 129.86408 7.23620 157PheHz 157PheCz 157PheHz 8.41052e+08 1.78830e+10 36.50368 200.31503 50.19714 21 7.21657 131.94525 7.21632 143PheHd* 143PheCd* 143PheHd* 5.38996e+08 1.04777e+10 27.52379 281.10587 47.59542 22 7.21826 131.91071 2.97581 143PheHd* 143PheCd* None 1.10353e+07 2.06846e+08 24.83681 251.48658 50.69013 23 7.21728 131.90490 3.13768 143PheHd* 143PheCd* None 9.59981e+06 1.86542e+08 29.36215 229.55108 49.23789 52 6.97730 119.99345 6.97683 134HisHd2 134HisCd2 134HisHd2 1.32869e+09 2.58602e+10 26.58055 269.04399 40.30694 53 7.09204 133.19326 8.23022 154TyrHd* 154TyrCd* None 1.53143e+07 2.97189e+08 29.40909 228.18357 43.60748 54 7.09239 133.15231 4.50047 154TyrHd* 154TyrCd* None 3.06517e+07 5.85659e+08 26.99704 209.03910 86.74759 55 7.09509 133.20631 3.06720 154TyrHd* 154TyrCd* None 6.67931e+07 1.29047e+09 27.96054 216.77436 49.84898 56 7.09526 133.19573 2.94475 154TyrHd* 154TyrCd* None 6.27466e+07 1.22017e+09 28.02373 218.83676 52.00756 57 7.09322 133.19326 7.09374 154TyrHd* 154TyrCd* None 2.93293e+09 5.54283e+10 27.75968 220.31837 41.73105 58 7.09176 133.08498 1.74628 154TyrHd* 154TyrCd* None 7.31857e+06 1.37090e+08 28.64496 187.35190 64.21927 59 7.09538 133.21745 3.85236 154TyrHd* 154TyrCd* None 5.99987e+06 1.10718e+08 24.64414 212.33275 102.08493 60 6.79901 118.25407 6.79915 136TyrHe* 136TyrCe* 136TyrHe* 2.35979e+09 4.54138e+10 27.80080 242.24625 44.21885 61 7.09922 133.27702 4.55017 136TyrHd* 136TyrCd* None 1.92113e+07 3.96885e+08 29.17052 213.31732 94.01379 62 6.79577 118.28474 3.07127 136TyrHe* 136TyrCe* None 6.01514e+06 1.16903e+08 25.84011 271.60594 60.37727 63 6.79234 118.22326 6.79196 154TyrHe* 154TyrCe* 154TyrHe* 2.58479e+09 4.91417e+10 27.76832 242.16441 41.65612 64 7.30263 131.49886 7.30252 143PheHe* 143PheCe* 143PheHe* 4.98977e+08 1.02309e+10 30.07770 285.58340 50.08461 65 7.24742 129.77983 7.24741 143PheHz 143PheCz 143PheHz 7.42351e+08 1.62897e+10 39.85153 199.96523 45.78834 68 7.18143 131.83745 7.18103 157PheHd* 157PheCd* 157PheHd* 4.24294e+08 8.56110e+09 31.58615 283.78236 47.25785 69 7.18311 131.73831 3.09298 157PheHd* 157PheCd* None 9.36927e+06 1.81581e+08 26.94220 222.99867 101.06051 70 7.29248 131.56280 7.29311 157PheHe* 157PheCe* 157PheHe* 5.07125e+08 1.03364e+10 29.69847 279.60783 54.34328 73 7.21931 127.06032 7.21824 161TrpHd1 161TrpCd1 161TrpHd1 6.36796e+08 1.17817e+10 25.24734 249.58918 40.86984 74 7.55611 120.86392 7.55613 161TrpHe3 161TrpCe3 161TrpHe3 3.17437e+08 5.97187e+09 27.20647 231.70514 42.86409 75 7.55502 120.86392 7.47706 161TrpHe3 161TrpCe3 None 1.37614e+07 2.56977e+08 28.63303 229.94487 140.22271 76 7.55328 120.89837 7.63520 161TrpHe3 161TrpCe3 None 1.07548e+07 1.82138e+08 25.20741 262.46226 182.49688 77 7.55470 120.86392 3.28986 161TrpHe3 161TrpCe3 None 9.47060e+06 1.79671e+08 26.15095 215.52682 91.85855 78 7.55204 120.86782 3.24417 161TrpHe3 161TrpCe3 None 8.43335e+06 1.60177e+08 26.55410 191.73600 94.46277 79 7.55528 120.89112 4.60528 161TrpHe3 161TrpCe3 None 4.03906e+06 7.62020e+07 27.76057 208.52504 47.38736 80 7.21916 127.06225 10.12853 161TrpHd1 161TrpCd1 None 3.41459e+07 6.32565e+08 25.16747 246.29274 41.31396 81 7.15453 124.64272 7.15441 161TrpHh2 161TrpCh2 161TrpHh2 4.46729e+08 8.94456e+09 31.20155 221.56678 44.85277 82 7.15488 124.60754 7.40863 161TrpHh2 161TrpCh2 None 4.13829e+07 8.26418e+08 31.15714 222.19480 43.30361 83 7.15462 124.64272 7.08461 161TrpHh2 161TrpCh2 None 5.64356e+07 1.15588e+09 30.68433 222.16693 121.86587 84 7.15406 124.64272 7.55542 161TrpHh2 161TrpCh2 None 3.33706e+06 7.04430e+07 48.71742 208.99085 44.74053 85 7.41171 114.62644 7.41093 161TrpHz2 161TrpCz2 161TrpHz2 4.88726e+08 9.38493e+09 27.65932 243.11773 42.12711 86 7.41102 114.62936 7.15671 161TrpHz2 161TrpCz2 None 4.20935e+07 8.13254e+08 27.41382 246.90052 44.09574 87 7.41025 114.62571 7.08926 161TrpHz2 161TrpCz2 None 5.33915e+06 1.04274e+08 27.93946 205.71406 133.57317 88 7.40888 114.64505 10.12878 161TrpHz2 161TrpCz2 161TrpHe1 1.10899e+07 2.17129e+08 27.80818 233.54344 43.73860 89 7.08805 122.03881 7.15485 161TrpHz3 161TrpCz3 None 3.90802e+07 7.77212e+08 28.27034 226.45512 129.96319 90 7.08719 122.03881 7.08714 161TrpHz3 161TrpCz3 161TrpHz3 2.95742e+08 5.80968e+09 29.44664 227.35594 44.48540 91 7.08669 122.03881 7.01548 161TrpHz3 161TrpCz3 None 1.60022e+07 3.53679e+08 30.91217 226.58654 182.18521 92 6.98242 120.03422 6.98241 165HisHd2 165HisCd2 165HisHd2 1.32869e+09 2.58602e+10 26.58055 269.04399 40.30694 96 7.21928 127.05766 4.52665 161TrpHd1 161TrpCd1 None 1.08286e+07 2.08276e+08 27.00583 247.74384 47.53888 97 7.21908 127.05766 3.23814 161TrpHd1 161TrpCd1 None 1.11430e+07 2.21306e+08 26.15005 251.72081 96.15566 98 7.22014 127.05766 3.29120 161TrpHd1 161TrpCd1 None 1.02733e+07 1.99577e+08 24.55697 264.40909 99.12196 99 7.55582 120.86273 4.52786 161TrpHe3 161TrpCe3 None 6.94767e+06 1.35317e+08 30.15385 198.28020 42.42959 106 7.18292 131.70513 4.49682 157PheHd* 157PheCd* None 8.38592e+06 1.64078e+08 26.87142 270.07710 61.95819 107 7.18131 131.64093 3.03489 157PheHd* 157PheCd* None 8.07860e+06 1.60229e+08 28.28226 236.66653 107.06721 230 7.09558 133.25762 8.31502 136TyrHd* 136TyrCd* None 4.57934e+06 8.49661e+07 27.50382 165.32531 54.70467 231 7.09144 133.16294 7.93025 154TyrHd* 154TyrCd* None 4.60742e+06 8.39484e+07 23.22585 204.65176 69.35334 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aromatic 2 'not observed' 2.711 ppm . . . 7.449 . . 34748 1 2 . . C 13 C-aromatic 1 aliased 46.039 ppm . . . 118.23 . . 34748 1 3 . . H 1 H . 'not observed' 10.992 ppm . . . 5.494 . . 34748 1 stop_ save_