data_36452 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36452 _Entry.Title ; Solution structure of Rbfox RRM bound to a non-cognate RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-23 _Entry.Accession_date 2021-11-17 _Entry.Last_release_date 2021-11-17 _Entry.Original_release_date 2021-11-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 F. Yang F. . . . 36452 2 G. Varani G. . . . 36452 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA BINDING PROTEIN-RNA complex' . 36452 RRM . 36452 complex . 36452 'non-cognate binding' . 36452 'splicing factor' . 36452 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36452 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 415 36452 '15N chemical shifts' 111 36452 '1H chemical shifts' 657 36452 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 . . 2025-11-01 . original BMRB . 36452 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7VRL 'BMRB Entry Tracking System' 36452 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36452 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36759600 _Citation.DOI 10.1038/s41467-023-36394-3 _Citation.Full_citation . _Citation.Title ; Two distinct binding modes provide the RNA-binding protein RbFox with extraordinary sequence specificity. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _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 701 _Citation.Page_last 701 _Citation.Year 2023 _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 Xuan Ye X. . . . 36452 1 2 Wen Yang W. . . . 36452 1 3 Soon Yi S. . . . 36452 1 4 Yanan Zhao Y. . . . 36452 1 5 Gabriele Varani G. . . . 36452 1 6 Eckhard Jankowsky E. . . . 36452 1 7 Fan Yang F. . . . 36452 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36452 _Assembly.ID 1 _Assembly.Name 'Rbfox RRM bound to' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'not present' _Assembly.Molecular_mass 13869.548 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 36452 1 2 entity_2 2 $entity_2 B B yes . . . . 'Ataxin-2-binding protein 1,Fox-1 homolog A,Hexaribonucleotide-binding protein 1' . 36452 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 U 1 . A 1 U . start . . 36452 1 . 1 1 2 G 2 . A 2 G . middle . . 36452 1 . 1 1 3 C 3 . A 3 C . middle . . 36452 1 . 1 1 4 A 4 . A 4 A . middle . . 36452 1 . 1 1 5 U 5 . A 5 U . middle . . 36452 1 . 1 1 6 A 6 . A 6 A . middle . . 36452 1 . 1 1 7 U 7 . A 7 U . end . . 36452 1 . 2 2 1 HIS 1 . B 107 HIS . start . . 36452 1 . 2 2 10 PRO 10 . B 116 PRO . middle no . 36452 1 . 2 2 100 THR 100 . B 206 THR . middle . . 36452 1 . 2 2 101 ASN 101 . B 207 ASN . middle . . 36452 1 . 2 2 102 GLY 102 . B 208 GLY . end no . 36452 1 . 2 2 11 LYS 11 . B 117 LYS . middle . . 36452 1 . 2 2 12 ARG 12 . B 118 ARG . middle . . 36452 1 . 2 2 13 LEU 13 . B 119 LEU . middle . . 36452 1 . 2 2 14 HIS 14 . B 120 HIS . middle . . 36452 1 . 2 2 15 VAL 15 . B 121 VAL . middle . . 36452 1 . 2 2 16 SER 16 . B 122 SER . middle . . 36452 1 . 2 2 17 ASN 17 . B 123 ASN . middle . . 36452 1 . 2 2 18 ILE 18 . B 124 ILE . middle . . 36452 1 . 2 2 19 PRO 19 . B 125 PRO . middle no . 36452 1 . 2 2 2 MET 2 . B 108 MET . middle . . 36452 1 . 2 2 20 PHE 20 . B 126 PHE . middle . . 36452 1 . 2 2 21 ARG 21 . B 127 ARG . middle . . 36452 1 . 2 2 22 PHE 22 . B 128 PHE . middle . . 36452 1 . 2 2 23 ARG 23 . B 129 ARG . middle . . 36452 1 . 2 2 24 ASP 24 . B 130 ASP . middle . . 36452 1 . 2 2 25 PRO 25 . B 131 PRO . middle no . 36452 1 . 2 2 26 ASP 26 . B 132 ASP . middle . . 36452 1 . 2 2 27 LEU 27 . B 133 LEU . middle . . 36452 1 . 2 2 28 ARG 28 . B 134 ARG . middle . . 36452 1 . 2 2 29 GLN 29 . B 135 GLN . middle . . 36452 1 . 2 2 3 ASN 3 . B 109 ASN . middle . . 36452 1 . 2 2 30 MET 30 . B 136 MET . middle . . 36452 1 . 2 2 31 PHE 31 . B 137 PHE . middle . . 36452 1 . 2 2 32 GLY 32 . B 138 GLY . middle no . 36452 1 . 2 2 33 GLN 33 . B 139 GLN . middle . . 36452 1 . 2 2 34 PHE 34 . B 140 PHE . middle . . 36452 1 . 2 2 35 GLY 35 . B 141 GLY . middle no . 36452 1 . 2 2 36 LYS 36 . B 142 LYS . middle . . 36452 1 . 2 2 37 ILE 37 . B 143 ILE . middle . . 36452 1 . 2 2 38 LEU 38 . B 144 LEU . middle . . 36452 1 . 2 2 39 ASP 39 . B 145 ASP . middle . . 36452 1 . 2 2 4 THR 4 . B 110 THR . middle . . 36452 1 . 2 2 40 VAL 40 . B 146 VAL . middle . . 36452 1 . 2 2 41 GLU 41 . B 147 GLU . middle . . 36452 1 . 2 2 42 ILE 42 . B 148 ILE . middle . . 36452 1 . 2 2 43 ILE 43 . B 149 ILE . middle . . 36452 1 . 2 2 44 PHE 44 . B 150 PHE . middle . . 36452 1 . 2 2 45 ASN 45 . B 151 ASN . middle . . 36452 1 . 2 2 46 GLU 46 . B 152 GLU . middle . . 36452 1 . 2 2 47 ARG 47 . B 153 ARG . middle . . 36452 1 . 2 2 48 GLY 48 . B 154 GLY . middle no . 36452 1 . 2 2 49 SER 49 . B 155 SER . middle . . 36452 1 . 2 2 5 GLU 5 . B 111 GLU . middle . . 36452 1 . 2 2 50 LYS 50 . B 156 LYS . middle . . 36452 1 . 2 2 51 GLY 51 . B 157 GLY . middle no . 36452 1 . 2 2 52 PHE 52 . B 158 PHE . middle . . 36452 1 . 2 2 53 GLY 53 . B 159 GLY . middle no . 36452 1 . 2 2 54 PHE 54 . B 160 PHE . middle . . 36452 1 . 2 2 55 VAL 55 . B 161 VAL . middle . . 36452 1 . 2 2 56 THR 56 . B 162 THR . middle . . 36452 1 . 2 2 57 PHE 57 . B 163 PHE . middle . . 36452 1 . 2 2 58 GLU 58 . B 164 GLU . middle . . 36452 1 . 2 2 59 ASN 59 . B 165 ASN . middle . . 36452 1 . 2 2 6 ASN 6 . B 112 ASN . middle . . 36452 1 . 2 2 60 SER 60 . B 166 SER . middle . . 36452 1 . 2 2 61 ALA 61 . B 167 ALA . middle . . 36452 1 . 2 2 62 ASP 62 . B 168 ASP . middle . . 36452 1 . 2 2 63 ALA 63 . B 169 ALA . middle . . 36452 1 . 2 2 64 ASP 64 . B 170 ASP . middle . . 36452 1 . 2 2 65 ARG 65 . B 171 ARG . middle . . 36452 1 . 2 2 66 ALA 66 . B 172 ALA . middle . . 36452 1 . 2 2 67 ARG 67 . B 173 ARG . middle . . 36452 1 . 2 2 68 GLU 68 . B 174 GLU . middle . . 36452 1 . 2 2 69 LYS 69 . B 175 LYS . middle . . 36452 1 . 2 2 7 LYS 7 . B 113 LYS . middle . . 36452 1 . 2 2 70 LEU 70 . B 176 LEU . middle . . 36452 1 . 2 2 71 HIS 71 . B 177 HIS . middle . . 36452 1 . 2 2 72 GLY 72 . B 178 GLY . middle no . 36452 1 . 2 2 73 THR 73 . B 179 THR . middle . . 36452 1 . 2 2 74 VAL 74 . B 180 VAL . middle . . 36452 1 . 2 2 75 VAL 75 . B 181 VAL . middle . . 36452 1 . 2 2 76 GLU 76 . B 182 GLU . middle . . 36452 1 . 2 2 77 GLY 77 . B 183 GLY . middle no . 36452 1 . 2 2 78 ARG 78 . B 184 ARG . middle . . 36452 1 . 2 2 79 LYS 79 . B 185 LYS . middle . . 36452 1 . 2 2 8 SER 8 . B 114 SER . middle . . 36452 1 . 2 2 80 ILE 80 . B 186 ILE . middle . . 36452 1 . 2 2 81 GLU 81 . B 187 GLU . middle . . 36452 1 . 2 2 82 VAL 82 . B 188 VAL . middle . . 36452 1 . 2 2 83 ASN 83 . B 189 ASN . middle . . 36452 1 . 2 2 84 ASN 84 . B 190 ASN . middle . . 36452 1 . 2 2 85 ALA 85 . B 191 ALA . middle . . 36452 1 . 2 2 86 THR 86 . B 192 THR . middle . . 36452 1 . 2 2 87 ALA 87 . B 193 ALA . middle . . 36452 1 . 2 2 88 ARG 88 . B 194 ARG . middle . . 36452 1 . 2 2 89 VAL 89 . B 195 VAL . middle . . 36452 1 . 2 2 9 GLN 9 . B 115 GLN . middle . . 36452 1 . 2 2 90 MET 90 . B 196 MET . middle . . 36452 1 . 2 2 91 THR 91 . B 197 THR . middle . . 36452 1 . 2 2 92 ASN 92 . B 198 ASN . middle . . 36452 1 . 2 2 93 LYS 93 . B 199 LYS . middle . . 36452 1 . 2 2 94 LYS 94 . B 200 LYS . middle . . 36452 1 . 2 2 95 THR 95 . B 201 THR . middle . . 36452 1 . 2 2 96 VAL 96 . B 202 VAL . middle . . 36452 1 . 2 2 97 ASN 97 . B 203 ASN . middle . . 36452 1 . 2 2 98 PRO 98 . B 204 PRO . middle no . 36452 1 . 2 2 99 TYR 99 . B 205 TYR . middle . . 36452 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36452 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name "RNA (5'-R(*UP*GP*CP*AP*UP*AP*U)-3')" _Entity.Type polymer _Entity.Polymer_common_type RNA _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; UGCAUAU ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2182.339 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 U . 36452 1 2 2 G . 36452 1 3 3 C . 36452 1 4 4 A . 36452 1 5 5 U . 36452 1 6 6 A . 36452 1 7 7 U . 36452 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 . U 1 1 36452 1 . G 2 2 36452 1 . C 3 3 36452 1 . A 4 4 36452 1 . U 5 5 36452 1 . A 6 6 36452 1 . U 7 7 36452 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 36452 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'RNA binding protein fox-1 homolog 1' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HMNTENKSQPKRLHVSNIPF RFRDPDLRQMFGQFGKILDV EIIFNERGSKGFGFVTFENS ADADRAREKLHGTVVEGRKI EVNNATARVMTNKKTVNPYT NG ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11687.209 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ataxin-2-binding protein 1,Fox-1 homolog A,Hexaribonucleotide-binding protein 1' common 36452 2 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 1 107 HIS . 36452 2 2 108 MET . 36452 2 3 109 ASN . 36452 2 4 110 THR . 36452 2 5 111 GLU . 36452 2 6 112 ASN . 36452 2 7 113 LYS . 36452 2 8 114 SER . 36452 2 9 115 GLN . 36452 2 10 116 PRO . 36452 2 11 117 LYS . 36452 2 12 118 ARG . 36452 2 13 119 LEU . 36452 2 14 120 HIS . 36452 2 15 121 VAL . 36452 2 16 122 SER . 36452 2 17 123 ASN . 36452 2 18 124 ILE . 36452 2 19 125 PRO . 36452 2 20 126 PHE . 36452 2 21 127 ARG . 36452 2 22 128 PHE . 36452 2 23 129 ARG . 36452 2 24 130 ASP . 36452 2 25 131 PRO . 36452 2 26 132 ASP . 36452 2 27 133 LEU . 36452 2 28 134 ARG . 36452 2 29 135 GLN . 36452 2 30 136 MET . 36452 2 31 137 PHE . 36452 2 32 138 GLY . 36452 2 33 139 GLN . 36452 2 34 140 PHE . 36452 2 35 141 GLY . 36452 2 36 142 LYS . 36452 2 37 143 ILE . 36452 2 38 144 LEU . 36452 2 39 145 ASP . 36452 2 40 146 VAL . 36452 2 41 147 GLU . 36452 2 42 148 ILE . 36452 2 43 149 ILE . 36452 2 44 150 PHE . 36452 2 45 151 ASN . 36452 2 46 152 GLU . 36452 2 47 153 ARG . 36452 2 48 154 GLY . 36452 2 49 155 SER . 36452 2 50 156 LYS . 36452 2 51 157 GLY . 36452 2 52 158 PHE . 36452 2 53 159 GLY . 36452 2 54 160 PHE . 36452 2 55 161 VAL . 36452 2 56 162 THR . 36452 2 57 163 PHE . 36452 2 58 164 GLU . 36452 2 59 165 ASN . 36452 2 60 166 SER . 36452 2 61 167 ALA . 36452 2 62 168 ASP . 36452 2 63 169 ALA . 36452 2 64 170 ASP . 36452 2 65 171 ARG . 36452 2 66 172 ALA . 36452 2 67 173 ARG . 36452 2 68 174 GLU . 36452 2 69 175 LYS . 36452 2 70 176 LEU . 36452 2 71 177 HIS . 36452 2 72 178 GLY . 36452 2 73 179 THR . 36452 2 74 180 VAL . 36452 2 75 181 VAL . 36452 2 76 182 GLU . 36452 2 77 183 GLY . 36452 2 78 184 ARG . 36452 2 79 185 LYS . 36452 2 80 186 ILE . 36452 2 81 187 GLU . 36452 2 82 188 VAL . 36452 2 83 189 ASN . 36452 2 84 190 ASN . 36452 2 85 191 ALA . 36452 2 86 192 THR . 36452 2 87 193 ALA . 36452 2 88 194 ARG . 36452 2 89 195 VAL . 36452 2 90 196 MET . 36452 2 91 197 THR . 36452 2 92 198 ASN . 36452 2 93 199 LYS . 36452 2 94 200 LYS . 36452 2 95 201 THR . 36452 2 96 202 VAL . 36452 2 97 203 ASN . 36452 2 98 204 PRO . 36452 2 99 205 TYR . 36452 2 100 206 THR . 36452 2 101 207 ASN . 36452 2 102 208 GLY . 36452 2 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 . HIS 1 1 36452 2 . MET 2 2 36452 2 . ASN 3 3 36452 2 . THR 4 4 36452 2 . GLU 5 5 36452 2 . ASN 6 6 36452 2 . LYS 7 7 36452 2 . SER 8 8 36452 2 . GLN 9 9 36452 2 . PRO 10 10 36452 2 . LYS 11 11 36452 2 . ARG 12 12 36452 2 . LEU 13 13 36452 2 . HIS 14 14 36452 2 . VAL 15 15 36452 2 . SER 16 16 36452 2 . ASN 17 17 36452 2 . ILE 18 18 36452 2 . PRO 19 19 36452 2 . PHE 20 20 36452 2 . ARG 21 21 36452 2 . PHE 22 22 36452 2 . ARG 23 23 36452 2 . ASP 24 24 36452 2 . PRO 25 25 36452 2 . ASP 26 26 36452 2 . LEU 27 27 36452 2 . ARG 28 28 36452 2 . GLN 29 29 36452 2 . MET 30 30 36452 2 . PHE 31 31 36452 2 . GLY 32 32 36452 2 . GLN 33 33 36452 2 . PHE 34 34 36452 2 . GLY 35 35 36452 2 . LYS 36 36 36452 2 . ILE 37 37 36452 2 . LEU 38 38 36452 2 . ASP 39 39 36452 2 . VAL 40 40 36452 2 . GLU 41 41 36452 2 . ILE 42 42 36452 2 . ILE 43 43 36452 2 . PHE 44 44 36452 2 . ASN 45 45 36452 2 . GLU 46 46 36452 2 . ARG 47 47 36452 2 . GLY 48 48 36452 2 . SER 49 49 36452 2 . LYS 50 50 36452 2 . GLY 51 51 36452 2 . PHE 52 52 36452 2 . GLY 53 53 36452 2 . PHE 54 54 36452 2 . VAL 55 55 36452 2 . THR 56 56 36452 2 . PHE 57 57 36452 2 . GLU 58 58 36452 2 . ASN 59 59 36452 2 . SER 60 60 36452 2 . ALA 61 61 36452 2 . ASP 62 62 36452 2 . ALA 63 63 36452 2 . ASP 64 64 36452 2 . ARG 65 65 36452 2 . ALA 66 66 36452 2 . ARG 67 67 36452 2 . GLU 68 68 36452 2 . LYS 69 69 36452 2 . LEU 70 70 36452 2 . HIS 71 71 36452 2 . GLY 72 72 36452 2 . THR 73 73 36452 2 . VAL 74 74 36452 2 . VAL 75 75 36452 2 . GLU 76 76 36452 2 . GLY 77 77 36452 2 . ARG 78 78 36452 2 . LYS 79 79 36452 2 . ILE 80 80 36452 2 . GLU 81 81 36452 2 . VAL 82 82 36452 2 . ASN 83 83 36452 2 . ASN 84 84 36452 2 . ALA 85 85 36452 2 . THR 86 86 36452 2 . ALA 87 87 36452 2 . ARG 88 88 36452 2 . VAL 89 89 36452 2 . MET 90 90 36452 2 . THR 91 91 36452 2 . ASN 92 92 36452 2 . LYS 93 93 36452 2 . LYS 94 94 36452 2 . THR 95 95 36452 2 . VAL 96 96 36452 2 . ASN 97 97 36452 2 . PRO 98 98 36452 2 . TYR 99 99 36452 2 . THR 100 100 36452 2 . ASN 101 101 36452 2 . GLY 102 102 36452 2 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 36452 _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 . 9606 'no natural source' . 'Homo sapiens' . . . . . . . . . . . . . . . . . . . . 36452 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' human . . . Metazoa Homo sapiens . . . . . . . . . . . 'RBFOX1, A2BP, A2BP1, FOX1, HRNBP1' . 36452 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 36452 _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 . 'chemical synthesis' unidentified . . . . . . . . . . . . . . . 36452 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . 36452 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36452 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-15N] protein, 1.2 mM unlabeled RNA, 10 mM unlabeled sodium phosphate, 30 mM unlabeled sodium chloride, 0.05 % w/v unlabeled sodium azide, 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 protein [U-15N] 1 $assembly 2 $entity_2 . protein 1 . . mM . . . . 36452 1 2 RNA 'natural abundance' 1 $assembly 1 $entity_1 . RNA 1.2 . . mM . . . . 36452 1 3 'sodium azide' 'natural abundance' . . . . . cytocide 0.05 . . '% w/v' . . . . 36452 1 4 'sodium chloride' 'natural abundance' . . . . . salt 30 . . mM . . . . 36452 1 5 'sodium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 36452 1 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36452 1 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36452 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36452 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-13C; U-15N] protein, 1.2 mM unlabeled RNA, 10 mM unlabeled sodium phosphate, 30 mM unlabeled sodium chloride, 0.05 % w/v unlabeled sodium azide, 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 protein '[U-13C; U-15N]' 1 $assembly 2 $entity_2 . protein 1 . . mM . . . . 36452 2 2 RNA 'natural abundance' 1 $assembly 1 $entity_1 . RNA 1.2 . . mM . . . . 36452 2 3 'sodium azide' 'natural abundance' . . . . . cytocide 0.05 . . '% w/v' . . . . 36452 2 4 'sodium chloride' 'natural abundance' . . . . . salt 30 . . mM . . . . 36452 2 5 'sodium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 36452 2 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36452 2 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36452 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 36452 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-15N, U-13C] protein, 1.2 mM unlabeled RNA, 10 mM unlabeled sodium phosphate, 30 mM unlabeled sodium chloride, 0.05 % w/v unlabeled sodium azide, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-15N; U-13C]' 1 $assembly 2 $entity_2 . protein 1 . . mM . . . . 36452 3 2 RNA 'natural abundance' 1 $assembly 1 $entity_1 . RNA 1.2 . . mM . . . . 36452 3 3 'sodium azide' 'natural abundance' . . . . . cytocide 0.05 . . '% w/v' . . . . 36452 3 4 'sodium chloride' 'natural abundance' . . . . . salt 30 . . mM . . . . 36452 3 5 'sodium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 36452 3 6 D2O [U-2H] . . . . . solvent 100 . . % . . . . 36452 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 36452 _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' 40 . mM 36452 1 pH 6.0 . pH 36452 1 pressure 1 . atm 36452 1 temperature 298 . K 36452 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36452 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36452 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36452 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36452 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _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' . . 36452 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36452 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36452 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 36452 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36452 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36452 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36452 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36452 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36452 _Software.ID 5 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 36452 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36452 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 36452 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36452 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36452 _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 . 600 . . . 36452 1 2 NMR_spectrometer_2 Bruker AVANCE . 800 . . . 36452 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36452 _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' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36452 1 2 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36452 1 3 '3D 1H-13C NOESY' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36452 1 4 '3D NHCACB' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36452 1 5 '3D CBCA(CO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36452 1 6 '3D HNCO' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36452 1 7 '3D NH(CA)CO' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36452 1 8 '2D 1H-13C HSQC' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36452 1 9 '3D HCCH-TOCSY' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36452 1 10 '3D HBHA(CO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36452 1 11 '2D F1-F2- filtered NOESY' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36452 1 12 '2D TOCSY' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36452 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 36452 _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 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36452 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36452 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36452 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 36452 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36452 1 2 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36452 1 3 '3D 1H-13C NOESY' 2 $sample_2 isotropic 36452 1 4 '3D NHCACB' 2 $sample_2 isotropic 36452 1 5 '3D CBCA(CO)NH' 2 $sample_2 isotropic 36452 1 6 '3D HNCO' 2 $sample_2 isotropic 36452 1 7 '3D NH(CA)CO' 2 $sample_2 isotropic 36452 1 8 '2D 1H-13C HSQC' 3 $sample_3 isotropic 36452 1 9 '3D HCCH-TOCSY' 3 $sample_3 isotropic 36452 1 10 '3D HBHA(CO)NH' 2 $sample_2 isotropic 36452 1 11 '2D F1-F2- filtered NOESY' 3 $sample_3 isotropic 36452 1 12 '2D TOCSY' 3 $sample_3 isotropic 36452 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 1 1 U H1' H 1 5.257 . . 1 . . 3856 . A 1 U H1' . 36452 1 2 . 1 . 1 1 1 U H2' H 1 4.280 . . 1 . . 3893 . A 1 U H2' . 36452 1 3 . 1 . 1 1 1 U H3' H 1 4.482 . . 1 . . 3858 . A 1 U H3' . 36452 1 4 . 1 . 1 1 1 U H4' H 1 4.304 . . 1 . . 3862 . A 1 U H4' . 36452 1 5 . 1 . 1 1 1 U H5 H 1 5.757 . . 1 . . 3891 . A 1 U H5 . 36452 1 6 . 1 . 1 1 1 U H5' H 1 3.817 . . 2 . . 3860 . A 1 U H5' . 36452 1 7 . 1 . 1 1 1 U H5'' H 1 4.012 . . 2 . . 3861 . A 1 U H5'' . 36452 1 8 . 1 . 1 1 1 U H6 H 1 7.895 0.004 . 1 . . 3890 . A 1 U H6 . 36452 1 9 . 1 . 1 2 2 G H1' H 1 5.908 0.001 . 1 . . 3851 . A 2 G H1' . 36452 1 10 . 1 . 1 2 2 G H2' H 1 5.251 0.002 . 1 . . 3848 . A 2 G H2' . 36452 1 11 . 1 . 1 2 2 G H3' H 1 4.900 0.002 . 1 . . 3849 . A 2 G H3' . 36452 1 12 . 1 . 1 2 2 G H4' H 1 4.479 0.002 . 1 . . 3850 . A 2 G H4' . 36452 1 13 . 1 . 1 2 2 G H5' H 1 3.815 . . 2 . . 3864 . A 2 G H5' . 36452 1 14 . 1 . 1 2 2 G H5'' H 1 4.165 . . 2 . . 3865 . A 2 G H5'' . 36452 1 15 . 1 . 1 2 2 G H8 H 1 8.244 0.004 . 1 . . 3847 . A 2 G H8 . 36452 1 16 . 1 . 1 3 3 C H1' H 1 6.159 0.001 . 1 . . 3844 . A 3 C H1' . 36452 1 17 . 1 . 1 3 3 C H2' H 1 3.506 0.002 . 1 . . 3845 . A 3 C H2' . 36452 1 18 . 1 . 1 3 3 C H3' H 1 3.312 0.003 . 1 . . 3843 . A 3 C H3' . 36452 1 19 . 1 . 1 3 3 C H4' H 1 4.475 . . 1 . . 3867 . A 3 C H4' . 36452 1 20 . 1 . 1 3 3 C H5 H 1 5.984 . . 1 . . 3866 . A 3 C H5 . 36452 1 21 . 1 . 1 3 3 C H6 H 1 7.846 0.002 . 1 . . 3846 . A 3 C H6 . 36452 1 22 . 1 . 1 4 4 A H1' H 1 6.144 0.0 . 1 . . 3838 . A 4 A H1' . 36452 1 23 . 1 . 1 4 4 A H2 H 1 8.654 0.002 . 1 . . 3809 . A 4 A H2 . 36452 1 24 . 1 . 1 4 4 A H2' H 1 5.371 0.0 . 1 . . 3839 . A 4 A H2' . 36452 1 25 . 1 . 1 4 4 A H4' H 1 4.466 . . 1 . . 3840 . A 4 A H4' . 36452 1 26 . 1 . 1 4 4 A H5' H 1 4.133 . . 2 . . 3841 . A 4 A H5' . 36452 1 27 . 1 . 1 4 4 A H5'' H 1 4.380 . . 2 . . 3842 . A 4 A H5'' . 36452 1 28 . 1 . 1 4 4 A H8 H 1 8.735 0.001 . 1 . . 3837 . A 4 A H8 . 36452 1 29 . 1 . 1 5 5 U H1' H 1 6.067 0.001 . 1 . . 3870 . A 5 U H1' . 36452 1 30 . 1 . 1 5 5 U H2' H 1 4.258 . . 1 . . 3872 . A 5 U H2' . 36452 1 31 . 1 . 1 5 5 U H4' H 1 4.163 . . 1 . . 3871 . A 5 U H4' . 36452 1 32 . 1 . 1 5 5 U H5 H 1 5.733 . . 1 . . 3869 . A 5 U H5 . 36452 1 33 . 1 . 1 5 5 U H6 H 1 7.494 0.001 . 1 . . 3868 . A 5 U H6 . 36452 1 34 . 1 . 1 6 6 A H1' H 1 5.976 . . 1 . . 3895 . A 6 A H1' . 36452 1 35 . 1 . 1 6 6 A H2 H 1 8.264 . . 1 . . 3903 . A 6 A H2 . 36452 1 36 . 1 . 1 6 6 A H2' H 1 4.678 . . 1 . . 3899 . A 6 A H2' . 36452 1 37 . 1 . 1 6 6 A H3' H 1 4.491 . . 1 . . 3896 . A 6 A H3' . 36452 1 38 . 1 . 1 6 6 A H8 H 1 8.768 0.001 . 1 . . 3892 . A 6 A H8 . 36452 1 39 . 1 . 1 7 7 U H1' H 1 5.261 . . 1 . . 3897 . A 7 U H1' . 36452 1 40 . 1 . 1 7 7 U H2' H 1 4.304 . . 1 . . 3898 . A 7 U H2' . 36452 1 41 . 1 . 1 7 7 U H5 H 1 5.772 . . 1 . . 3857 . A 7 U H5 . 36452 1 42 . 1 . 1 7 7 U H6 H 1 7.935 0.001 . 1 . . 3852 . A 7 U H6 . 36452 1 43 . 2 . 2 1 1 HIS HA H 1 4.210 0.0 . 1 . . 3016 . B 107 HIS HA . 36452 1 44 . 2 . 2 1 1 HIS HB2 H 1 1.850 0.013 . 2 . . 3017 . B 107 HIS HB2 . 36452 1 45 . 2 . 2 1 1 HIS HB3 H 1 1.902 . . 2 . . 3498 . B 107 HIS HB3 . 36452 1 46 . 2 . 2 1 1 HIS C C 13 176.149 . . 1 . . 3212 . B 107 HIS C . 36452 1 47 . 2 . 2 1 1 HIS CA C 13 56.996 0.041 . 1 . . 2959 . B 107 HIS CA . 36452 1 48 . 2 . 2 1 1 HIS CB C 13 29.885 0.036 . 1 . . 2960 . B 107 HIS CB . 36452 1 49 . 2 . 2 1 1 HIS N N 15 122.815 0.042 . 1 . . 31 . B 107 HIS N . 36452 1 50 . 2 . 2 2 2 MET H H 1 8.184 0.004 . 1 . . 3801 . B 108 MET H . 36452 1 51 . 2 . 2 2 2 MET HA H 1 4.639 0.0 . 1 . . 3018 . B 108 MET HA . 36452 1 52 . 2 . 2 2 2 MET HB2 H 1 2.977 0.003 . 2 . . 3019 . B 108 MET HB2 . 36452 1 53 . 2 . 2 2 2 MET HB3 H 1 3.174 0.003 . 2 . . 3020 . B 108 MET HB3 . 36452 1 54 . 2 . 2 2 2 MET C C 13 175.403 . . 1 . . 3213 . B 108 MET C . 36452 1 55 . 2 . 2 2 2 MET CA C 13 57.778 0.036 . 1 . . 2962 . B 108 MET CA . 36452 1 56 . 2 . 2 2 2 MET CB C 13 39.648 0.014 . 1 . . 2961 . B 108 MET CB . 36452 1 57 . 2 . 2 2 2 MET N N 15 120.345 0.034 . 1 . . 3802 . B 108 MET N . 36452 1 58 . 2 . 2 3 3 ASN H H 1 8.344 0.003 . 1 . . 3803 . B 109 ASN H . 36452 1 59 . 2 . 2 3 3 ASN HA H 1 4.753 0.002 . 1 . . 3021 . B 109 ASN HA . 36452 1 60 . 2 . 2 3 3 ASN HB2 H 1 2.743 0.001 . 2 . . 3022 . B 109 ASN HB2 . 36452 1 61 . 2 . 2 3 3 ASN HB3 H 1 2.850 0.001 . 2 . . 3023 . B 109 ASN HB3 . 36452 1 62 . 2 . 2 3 3 ASN HD21 H 1 6.943 . . 1 . . 3818 . B 109 ASN HD21 . 36452 1 63 . 2 . 2 3 3 ASN HD22 H 1 7.598 . . 1 . . 3820 . B 109 ASN HD22 . 36452 1 64 . 2 . 2 3 3 ASN C C 13 175.373 . . 1 . . 3214 . B 109 ASN C . 36452 1 65 . 2 . 2 3 3 ASN CA C 13 53.400 0.025 . 1 . . 2837 . B 109 ASN CA . 36452 1 66 . 2 . 2 3 3 ASN CB C 13 39.121 0.007 . 1 . . 2838 . B 109 ASN CB . 36452 1 67 . 2 . 2 3 3 ASN N N 15 120.618 0.046 . 1 . . 3804 . B 109 ASN N . 36452 1 68 . 2 . 2 3 3 ASN ND2 N 15 112.760 0.008 . 1 . . 3819 . B 109 ASN ND2 . 36452 1 69 . 2 . 2 4 4 THR H H 1 8.167 0.003 . 1 . . 2793 . B 110 THR H . 36452 1 70 . 2 . 2 4 4 THR HA H 1 4.286 0.001 . 1 . . 3024 . B 110 THR HA . 36452 1 71 . 2 . 2 4 4 THR HB H 1 4.291 . . 1 . . 3309 . B 110 THR HB . 36452 1 72 . 2 . 2 4 4 THR HG21 H 1 1.209 . . 1 . . 3310 . B 110 THR HG21 . 36452 1 73 . 2 . 2 4 4 THR HG22 H 1 1.209 . . 1 . . 3310 . B 110 THR HG22 . 36452 1 74 . 2 . 2 4 4 THR HG23 H 1 1.209 . . 1 . . 3310 . B 110 THR HG23 . 36452 1 75 . 2 . 2 4 4 THR C C 13 174.779 . . 1 . . 3215 . B 110 THR C . 36452 1 76 . 2 . 2 4 4 THR CA C 13 62.350 0.061 . 1 . . 2955 . B 110 THR CA . 36452 1 77 . 2 . 2 4 4 THR CB C 13 69.768 0.109 . 1 . . 2956 . B 110 THR CB . 36452 1 78 . 2 . 2 4 4 THR CG2 C 13 21.880 . . 1 . . 3311 . B 110 THR CG2 . 36452 1 79 . 2 . 2 4 4 THR N N 15 114.447 0.03 . 1 . . 2794 . B 110 THR N . 36452 1 80 . 2 . 2 5 5 GLU H H 1 8.424 0.003 . 1 . . 2561 . B 111 GLU H . 36452 1 81 . 2 . 2 5 5 GLU HA H 1 4.283 0.004 . 1 . . 3025 . B 111 GLU HA . 36452 1 82 . 2 . 2 5 5 GLU HB2 H 1 1.967 0.0 . 2 . . 3026 . B 111 GLU HB2 . 36452 1 83 . 2 . 2 5 5 GLU HB3 H 1 2.055 0.008 . 2 . . 3027 . B 111 GLU HB3 . 36452 1 84 . 2 . 2 5 5 GLU HG2 H 1 2.262 . . 1 . . 3307 . B 111 GLU HG2 . 36452 1 85 . 2 . 2 5 5 GLU C C 13 176.239 . . 1 . . 3216 . B 111 GLU C . 36452 1 86 . 2 . 2 5 5 GLU CA C 13 56.870 0.095 . 1 . . 2839 . B 111 GLU CA . 36452 1 87 . 2 . 2 5 5 GLU CB C 13 30.053 0.105 . 1 . . 2840 . B 111 GLU CB . 36452 1 88 . 2 . 2 5 5 GLU CG C 13 35.868 . . 1 . . 3308 . B 111 GLU CG . 36452 1 89 . 2 . 2 5 5 GLU N N 15 122.675 0.042 . 1 . . 2562 . B 111 GLU N . 36452 1 90 . 2 . 2 6 6 ASN H H 1 8.426 0.004 . 1 . . 2615 . B 112 ASN H . 36452 1 91 . 2 . 2 6 6 ASN HA H 1 4.694 0.001 . 1 . . 3028 . B 112 ASN HA . 36452 1 92 . 2 . 2 6 6 ASN HB2 H 1 2.755 0.001 . 2 . . 3029 . B 112 ASN HB2 . 36452 1 93 . 2 . 2 6 6 ASN HB3 H 1 2.850 0.001 . 2 . . 3030 . B 112 ASN HB3 . 36452 1 94 . 2 . 2 6 6 ASN C C 13 175.195 . . 1 . . 3217 . B 112 ASN C . 36452 1 95 . 2 . 2 6 6 ASN CA C 13 53.460 0.055 . 1 . . 2841 . B 112 ASN CA . 36452 1 96 . 2 . 2 6 6 ASN CB C 13 38.821 0.006 . 1 . . 2842 . B 112 ASN CB . 36452 1 97 . 2 . 2 6 6 ASN N N 15 119.905 0.07 . 1 . . 2616 . B 112 ASN N . 36452 1 98 . 2 . 2 7 7 LYS H H 1 8.321 0.003 . 1 . . 2677 . B 113 LYS H . 36452 1 99 . 2 . 2 7 7 LYS HA H 1 4.393 0.004 . 1 . . 3031 . B 113 LYS HA . 36452 1 100 . 2 . 2 7 7 LYS HB2 H 1 1.781 0.0 . 2 . . 3032 . B 113 LYS HB2 . 36452 1 101 . 2 . 2 7 7 LYS HB3 H 1 1.900 0.009 . 2 . . 3033 . B 113 LYS HB3 . 36452 1 102 . 2 . 2 7 7 LYS HG2 H 1 1.444 . . 1 . . 3511 . B 113 LYS HG2 . 36452 1 103 . 2 . 2 7 7 LYS HD2 H 1 1.683 . . 1 . . 3513 . B 113 LYS HD2 . 36452 1 104 . 2 . 2 7 7 LYS HE2 H 1 2.981 . . 1 . . 3515 . B 113 LYS HE2 . 36452 1 105 . 2 . 2 7 7 LYS C C 13 176.610 . . 1 . . 3218 . B 113 LYS C . 36452 1 106 . 2 . 2 7 7 LYS CA C 13 56.566 0.111 . 1 . . 2957 . B 113 LYS CA . 36452 1 107 . 2 . 2 7 7 LYS CB C 13 33.048 0.02 . 1 . . 2958 . B 113 LYS CB . 36452 1 108 . 2 . 2 7 7 LYS CG C 13 24.857 . . 1 . . 3512 . B 113 LYS CG . 36452 1 109 . 2 . 2 7 7 LYS CD C 13 29.066 . . 1 . . 3514 . B 113 LYS CD . 36452 1 110 . 2 . 2 7 7 LYS CE C 13 42.422 . . 1 . . 3516 . B 113 LYS CE . 36452 1 111 . 2 . 2 7 7 LYS N N 15 122.116 0.253 . 1 . . 2678 . B 113 LYS N . 36452 1 112 . 2 . 2 8 8 SER H H 1 8.372 0.016 . 1 . . 2739 . B 114 SER H . 36452 1 113 . 2 . 2 8 8 SER HA H 1 4.543 0.002 . 1 . . 3034 . B 114 SER HA . 36452 1 114 . 2 . 2 8 8 SER HB2 H 1 3.937 0.002 . 1 . . 3035 . B 114 SER HB2 . 36452 1 115 . 2 . 2 8 8 SER C C 13 173.882 . . 1 . . 3219 . B 114 SER C . 36452 1 116 . 2 . 2 8 8 SER CA C 13 58.560 0.142 . 1 . . 2964 . B 114 SER CA . 36452 1 117 . 2 . 2 8 8 SER CB C 13 64.223 0.183 . 1 . . 2965 . B 114 SER CB . 36452 1 118 . 2 . 2 8 8 SER N N 15 117.352 0.06 . 1 . . 2740 . B 114 SER N . 36452 1 119 . 2 . 2 9 9 GLN H H 1 8.551 0.008 . 1 . . 3805 . B 115 GLN H . 36452 1 120 . 2 . 2 9 9 GLN HA H 1 4.835 . . 1 . . 3317 . B 115 GLN HA . 36452 1 121 . 2 . 2 9 9 GLN HB2 H 1 2.003 . . 2 . . 3313 . B 115 GLN HB2 . 36452 1 122 . 2 . 2 9 9 GLN HB3 H 1 2.187 . . 2 . . 3314 . B 115 GLN HB3 . 36452 1 123 . 2 . 2 9 9 GLN HG2 H 1 2.424 . . 1 . . 3315 . B 115 GLN HG2 . 36452 1 124 . 2 . 2 9 9 GLN HE21 H 1 6.896 . . 1 . . 3826 . B 115 GLN HE21 . 36452 1 125 . 2 . 2 9 9 GLN HE22 H 1 7.561 . . 1 . . 3828 . B 115 GLN HE22 . 36452 1 126 . 2 . 2 9 9 GLN CA C 13 53.411 0.008 . 1 . . 2966 . B 115 GLN CA . 36452 1 127 . 2 . 2 9 9 GLN CB C 13 29.909 0.015 . 1 . . 2967 . B 115 GLN CB . 36452 1 128 . 2 . 2 9 9 GLN CG C 13 33.690 . . 1 . . 3316 . B 115 GLN CG . 36452 1 129 . 2 . 2 9 9 GLN N N 15 123.400 0.121 . 1 . . 3806 . B 115 GLN N . 36452 1 130 . 2 . 2 9 9 GLN NE2 N 15 112.605 0.004 . 1 . . 3827 . B 115 GLN NE2 . 36452 1 131 . 2 . 2 10 10 PRO HA H 1 4.631 0.002 . 1 . . 3036 . B 116 PRO HA . 36452 1 132 . 2 . 2 10 10 PRO HB2 H 1 2.258 0.001 . 2 . . 3037 . B 116 PRO HB2 . 36452 1 133 . 2 . 2 10 10 PRO HB3 H 1 1.686 0.001 . 2 . . 3038 . B 116 PRO HB3 . 36452 1 134 . 2 . 2 10 10 PRO HG2 H 1 1.931 . . 1 . . 3319 . B 116 PRO HG2 . 36452 1 135 . 2 . 2 10 10 PRO HD2 H 1 3.626 . . 2 . . 3320 . B 116 PRO HD2 . 36452 1 136 . 2 . 2 10 10 PRO HD3 H 1 3.852 . . 2 . . 3322 . B 116 PRO HD3 . 36452 1 137 . 2 . 2 10 10 PRO C C 13 176.557 . . 1 . . 3220 . B 116 PRO C . 36452 1 138 . 2 . 2 10 10 PRO CA C 13 63.504 0.076 . 1 . . 2802 . B 116 PRO CA . 36452 1 139 . 2 . 2 10 10 PRO CB C 13 33.488 0.073 . 1 . . 2801 . B 116 PRO CB . 36452 1 140 . 2 . 2 10 10 PRO CG C 13 27.443 . . 1 . . 3318 . B 116 PRO CG . 36452 1 141 . 2 . 2 10 10 PRO CD C 13 50.907 0.013 . 1 . . 3321 . B 116 PRO CD . 36452 1 142 . 2 . 2 11 11 LYS H H 1 8.154 0.003 . 1 . . 2549 . B 117 LYS H . 36452 1 143 . 2 . 2 11 11 LYS HA H 1 4.595 0.004 . 1 . . 3206 . B 117 LYS HA . 36452 1 144 . 2 . 2 11 11 LYS HB2 H 1 1.718 0.006 . 2 . . 3203 . B 117 LYS HB2 . 36452 1 145 . 2 . 2 11 11 LYS HB3 H 1 1.601 . . 2 . . 3323 . B 117 LYS HB3 . 36452 1 146 . 2 . 2 11 11 LYS HG2 H 1 1.196 . . 2 . . 3517 . B 117 LYS HG2 . 36452 1 147 . 2 . 2 11 11 LYS HG3 H 1 1.463 . . 2 . . 3519 . B 117 LYS HG3 . 36452 1 148 . 2 . 2 11 11 LYS HD2 H 1 1.682 . . 2 . . 3520 . B 117 LYS HD2 . 36452 1 149 . 2 . 2 11 11 LYS HD3 H 1 1.746 . . 2 . . 3522 . B 117 LYS HD3 . 36452 1 150 . 2 . 2 11 11 LYS C C 13 173.042 . . 1 . . 3221 . B 117 LYS C . 36452 1 151 . 2 . 2 11 11 LYS CA C 13 56.612 0.132 . 1 . . 2799 . B 117 LYS CA . 36452 1 152 . 2 . 2 11 11 LYS CB C 13 37.054 0.066 . 1 . . 2800 . B 117 LYS CB . 36452 1 153 . 2 . 2 11 11 LYS CG C 13 25.903 0.015 . 1 . . 3518 . B 117 LYS CG . 36452 1 154 . 2 . 2 11 11 LYS CD C 13 29.923 0.018 . 1 . . 3521 . B 117 LYS CD . 36452 1 155 . 2 . 2 11 11 LYS N N 15 119.553 0.04 . 1 . . 2550 . B 117 LYS N . 36452 1 156 . 2 . 2 12 12 ARG H H 1 9.017 0.004 . 1 . . 2595 . B 118 ARG H . 36452 1 157 . 2 . 2 12 12 ARG HA H 1 5.384 0.002 . 1 . . 3039 . B 118 ARG HA . 36452 1 158 . 2 . 2 12 12 ARG HB2 H 1 1.871 0.007 . 2 . . 3040 . B 118 ARG HB2 . 36452 1 159 . 2 . 2 12 12 ARG HB3 H 1 1.775 . . 2 . . 3324 . B 118 ARG HB3 . 36452 1 160 . 2 . 2 12 12 ARG HG2 H 1 1.612 . . 1 . . 3326 . B 118 ARG HG2 . 36452 1 161 . 2 . 2 12 12 ARG HD2 H 1 3.053 . . 2 . . 3328 . B 118 ARG HD2 . 36452 1 162 . 2 . 2 12 12 ARG HD3 H 1 3.178 . . 2 . . 3330 . B 118 ARG HD3 . 36452 1 163 . 2 . 2 12 12 ARG C C 13 174.590 . . 1 . . 3222 . B 118 ARG C . 36452 1 164 . 2 . 2 12 12 ARG CA C 13 54.899 0.027 . 1 . . 2797 . B 118 ARG CA . 36452 1 165 . 2 . 2 12 12 ARG CB C 13 33.144 0.017 . 1 . . 2798 . B 118 ARG CB . 36452 1 166 . 2 . 2 12 12 ARG CG C 13 27.699 . . 1 . . 3327 . B 118 ARG CG . 36452 1 167 . 2 . 2 12 12 ARG CD C 13 43.975 0.016 . 1 . . 3329 . B 118 ARG CD . 36452 1 168 . 2 . 2 12 12 ARG N N 15 129.191 0.069 . 1 . . 2596 . B 118 ARG N . 36452 1 169 . 2 . 2 13 13 LEU H H 1 9.533 0.007 . 1 . . 2773 . B 119 LEU H . 36452 1 170 . 2 . 2 13 13 LEU HA H 1 5.176 0.0 . 1 . . 3041 . B 119 LEU HA . 36452 1 171 . 2 . 2 13 13 LEU HB2 H 1 1.448 0.007 . 2 . . 3042 . B 119 LEU HB2 . 36452 1 172 . 2 . 2 13 13 LEU HB3 H 1 1.637 . . 2 . . 3331 . B 119 LEU HB3 . 36452 1 173 . 2 . 2 13 13 LEU HG H 1 1.787 . . 1 . . 3333 . B 119 LEU HG . 36452 1 174 . 2 . 2 13 13 LEU HD11 H 1 1.040 . . 2 . . 3334 . B 119 LEU HD11 . 36452 1 175 . 2 . 2 13 13 LEU HD12 H 1 1.040 . . 2 . . 3334 . B 119 LEU HD12 . 36452 1 176 . 2 . 2 13 13 LEU HD13 H 1 1.040 . . 2 . . 3334 . B 119 LEU HD13 . 36452 1 177 . 2 . 2 13 13 LEU HD21 H 1 0.879 . . 2 . . 3336 . B 119 LEU HD21 . 36452 1 178 . 2 . 2 13 13 LEU HD22 H 1 0.879 . . 2 . . 3336 . B 119 LEU HD22 . 36452 1 179 . 2 . 2 13 13 LEU HD23 H 1 0.879 . . 2 . . 3336 . B 119 LEU HD23 . 36452 1 180 . 2 . 2 13 13 LEU C C 13 175.508 . . 1 . . 3223 . B 119 LEU C . 36452 1 181 . 2 . 2 13 13 LEU CA C 13 53.186 0.032 . 1 . . 2795 . B 119 LEU CA . 36452 1 182 . 2 . 2 13 13 LEU CB C 13 44.808 0.022 . 1 . . 2796 . B 119 LEU CB . 36452 1 183 . 2 . 2 13 13 LEU CG C 13 27.256 . . 1 . . 3332 . B 119 LEU CG . 36452 1 184 . 2 . 2 13 13 LEU CD1 C 13 26.904 . . 2 . . 3335 . B 119 LEU CD1 . 36452 1 185 . 2 . 2 13 13 LEU CD2 C 13 22.717 . . 2 . . 3337 . B 119 LEU CD2 . 36452 1 186 . 2 . 2 13 13 LEU N N 15 124.566 0.034 . 1 . . 2774 . B 119 LEU N . 36452 1 187 . 2 . 2 14 14 HIS H H 1 9.171 0.016 . 1 . . 2759 . B 120 HIS H . 36452 1 188 . 2 . 2 14 14 HIS HB2 H 1 2.930 0.019 . 2 . . 3204 . B 120 HIS HB2 . 36452 1 189 . 2 . 2 14 14 HIS HB3 H 1 2.603 0.029 . 2 . . 3207 . B 120 HIS HB3 . 36452 1 190 . 2 . 2 14 14 HIS HD2 H 1 6.216 . . 1 . . 3877 . B 120 HIS HD2 . 36452 1 191 . 2 . 2 14 14 HIS C C 13 172.283 . . 1 . . 3224 . B 120 HIS C . 36452 1 192 . 2 . 2 14 14 HIS CA C 13 54.847 . . 1 . . 2805 . B 120 HIS CA . 36452 1 193 . 2 . 2 14 14 HIS CB C 13 33.737 0.036 . 1 . . 2806 . B 120 HIS CB . 36452 1 194 . 2 . 2 14 14 HIS CD2 C 13 117.613 . . 1 . . 3878 . B 120 HIS CD2 . 36452 1 195 . 2 . 2 14 14 HIS N N 15 123.817 0.107 . 1 . . 2760 . B 120 HIS N . 36452 1 196 . 2 . 2 15 15 VAL H H 1 8.334 0.005 . 1 . . 2709 . B 121 VAL H . 36452 1 197 . 2 . 2 15 15 VAL HA H 1 5.102 0.026 . 1 . . 3043 . B 121 VAL HA . 36452 1 198 . 2 . 2 15 15 VAL HB H 1 1.641 0.006 . 1 . . 3044 . B 121 VAL HB . 36452 1 199 . 2 . 2 15 15 VAL HG11 H 1 0.749 . . 2 . . 3339 . B 121 VAL HG11 . 36452 1 200 . 2 . 2 15 15 VAL HG12 H 1 0.749 . . 2 . . 3339 . B 121 VAL HG12 . 36452 1 201 . 2 . 2 15 15 VAL HG13 H 1 0.749 . . 2 . . 3339 . B 121 VAL HG13 . 36452 1 202 . 2 . 2 15 15 VAL HG21 H 1 0.780 . . 2 . . 3341 . B 121 VAL HG21 . 36452 1 203 . 2 . 2 15 15 VAL HG22 H 1 0.780 . . 2 . . 3341 . B 121 VAL HG22 . 36452 1 204 . 2 . 2 15 15 VAL HG23 H 1 0.780 . . 2 . . 3341 . B 121 VAL HG23 . 36452 1 205 . 2 . 2 15 15 VAL C C 13 173.826 . . 1 . . 3225 . B 121 VAL C . 36452 1 206 . 2 . 2 15 15 VAL CA C 13 58.492 0.142 . 1 . . 2807 . B 121 VAL CA . 36452 1 207 . 2 . 2 15 15 VAL CB C 13 33.821 0.083 . 1 . . 2808 . B 121 VAL CB . 36452 1 208 . 2 . 2 15 15 VAL CG1 C 13 21.674 . . 2 . . 3340 . B 121 VAL CG1 . 36452 1 209 . 2 . 2 15 15 VAL CG2 C 13 20.444 . . 2 . . 3342 . B 121 VAL CG2 . 36452 1 210 . 2 . 2 15 15 VAL N N 15 126.369 0.034 . 1 . . 2710 . B 121 VAL N . 36452 1 211 . 2 . 2 16 16 SER H H 1 9.163 0.007 . 1 . . 2663 . B 122 SER H . 36452 1 212 . 2 . 2 16 16 SER HA H 1 4.948 . . 1 . . 3600 . B 122 SER HA . 36452 1 213 . 2 . 2 16 16 SER HB2 H 1 3.338 0.008 . 2 . . 3205 . B 122 SER HB2 . 36452 1 214 . 2 . 2 16 16 SER HB3 H 1 2.852 . . 2 . . 3343 . B 122 SER HB3 . 36452 1 215 . 2 . 2 16 16 SER C C 13 173.483 . . 1 . . 3226 . B 122 SER C . 36452 1 216 . 2 . 2 16 16 SER CA C 13 55.948 0.09 . 1 . . 2809 . B 122 SER CA . 36452 1 217 . 2 . 2 16 16 SER CB C 13 65.117 0.089 . 1 . . 2810 . B 122 SER CB . 36452 1 218 . 2 . 2 16 16 SER N N 15 118.582 0.039 . 1 . . 2664 . B 122 SER N . 36452 1 219 . 2 . 2 17 17 ASN H H 1 7.615 0.004 . 1 . . 2611 . B 123 ASN H . 36452 1 220 . 2 . 2 17 17 ASN HA H 1 4.790 0.002 . 1 . . 3500 . B 123 ASN HA . 36452 1 221 . 2 . 2 17 17 ASN HB2 H 1 3.508 0.001 . 2 . . 3045 . B 123 ASN HB2 . 36452 1 222 . 2 . 2 17 17 ASN HB3 H 1 2.241 0.003 . 2 . . 3046 . B 123 ASN HB3 . 36452 1 223 . 2 . 2 17 17 ASN HD21 H 1 6.650 . . 1 . . 3006 . B 123 ASN HD21 . 36452 1 224 . 2 . 2 17 17 ASN HD22 H 1 7.842 . . 1 . . 3008 . B 123 ASN HD22 . 36452 1 225 . 2 . 2 17 17 ASN C C 13 175.057 . . 1 . . 3227 . B 123 ASN C . 36452 1 226 . 2 . 2 17 17 ASN CA C 13 54.362 0.163 . 1 . . 2811 . B 123 ASN CA . 36452 1 227 . 2 . 2 17 17 ASN CB C 13 38.503 0.102 . 1 . . 2812 . B 123 ASN CB . 36452 1 228 . 2 . 2 17 17 ASN N N 15 119.486 0.05 . 1 . . 2612 . B 123 ASN N . 36452 1 229 . 2 . 2 17 17 ASN ND2 N 15 110.518 0.001 . 1 . . 3007 . B 123 ASN ND2 . 36452 1 230 . 2 . 2 18 18 ILE H H 1 7.253 0.003 . 1 . . 2713 . B 124 ILE H . 36452 1 231 . 2 . 2 18 18 ILE HA H 1 3.978 . . 1 . . 3352 . B 124 ILE HA . 36452 1 232 . 2 . 2 18 18 ILE HB H 1 1.420 . . 1 . . 3344 . B 124 ILE HB . 36452 1 233 . 2 . 2 18 18 ILE HG12 H 1 0.671 . . 2 . . 3345 . B 124 ILE HG12 . 36452 1 234 . 2 . 2 18 18 ILE HG13 H 1 1.173 . . 2 . . 3347 . B 124 ILE HG13 . 36452 1 235 . 2 . 2 18 18 ILE HG21 H 1 0.695 . . 1 . . 3348 . B 124 ILE HG21 . 36452 1 236 . 2 . 2 18 18 ILE HG22 H 1 0.695 . . 1 . . 3348 . B 124 ILE HG22 . 36452 1 237 . 2 . 2 18 18 ILE HG23 H 1 0.695 . . 1 . . 3348 . B 124 ILE HG23 . 36452 1 238 . 2 . 2 18 18 ILE HD11 H 1 0.711 0.008 . 1 . . 3350 . B 124 ILE HD11 . 36452 1 239 . 2 . 2 18 18 ILE HD12 H 1 0.711 0.008 . 1 . . 3350 . B 124 ILE HD12 . 36452 1 240 . 2 . 2 18 18 ILE HD13 H 1 0.711 0.008 . 1 . . 3350 . B 124 ILE HD13 . 36452 1 241 . 2 . 2 18 18 ILE CA C 13 59.348 0.032 . 1 . . 2813 . B 124 ILE CA . 36452 1 242 . 2 . 2 18 18 ILE CB C 13 36.501 0.026 . 1 . . 2814 . B 124 ILE CB . 36452 1 243 . 2 . 2 18 18 ILE CG1 C 13 24.817 0.028 . 1 . . 3346 . B 124 ILE CG1 . 36452 1 244 . 2 . 2 18 18 ILE CG2 C 13 19.392 . . 1 . . 3349 . B 124 ILE CG2 . 36452 1 245 . 2 . 2 18 18 ILE CD1 C 13 14.251 0.001 . 1 . . 3351 . B 124 ILE CD1 . 36452 1 246 . 2 . 2 18 18 ILE N N 15 106.898 0.051 . 1 . . 2714 . B 124 ILE N . 36452 1 247 . 2 . 2 19 19 PRO HA H 1 4.501 0.001 . 1 . . 3047 . B 125 PRO HA . 36452 1 248 . 2 . 2 19 19 PRO HB2 H 1 1.402 0.0 . 2 . . 3048 . B 125 PRO HB2 . 36452 1 249 . 2 . 2 19 19 PRO HB3 H 1 2.625 . . 2 . . 3523 . B 125 PRO HB3 . 36452 1 250 . 2 . 2 19 19 PRO HG2 H 1 1.326 . . 2 . . 3356 . B 125 PRO HG2 . 36452 1 251 . 2 . 2 19 19 PRO HG3 H 1 1.635 . . 2 . . 3358 . B 125 PRO HG3 . 36452 1 252 . 2 . 2 19 19 PRO HD2 H 1 1.716 . . 2 . . 3353 . B 125 PRO HD2 . 36452 1 253 . 2 . 2 19 19 PRO HD3 H 1 3.082 . . 2 . . 3355 . B 125 PRO HD3 . 36452 1 254 . 2 . 2 19 19 PRO C C 13 178.466 . . 1 . . 3228 . B 125 PRO C . 36452 1 255 . 2 . 2 19 19 PRO CA C 13 63.669 0.056 . 1 . . 2968 . B 125 PRO CA . 36452 1 256 . 2 . 2 19 19 PRO CB C 13 32.319 0.09 . 1 . . 2969 . B 125 PRO CB . 36452 1 257 . 2 . 2 19 19 PRO CG C 13 28.679 0.007 . 1 . . 3357 . B 125 PRO CG . 36452 1 258 . 2 . 2 19 19 PRO CD C 13 49.908 0.017 . 1 . . 3354 . B 125 PRO CD . 36452 1 259 . 2 . 2 20 20 PHE H H 1 9.253 0.004 . 1 . . 2673 . B 126 PHE H . 36452 1 260 . 2 . 2 20 20 PHE HA H 1 4.530 0.002 . 1 . . 3049 . B 126 PHE HA . 36452 1 261 . 2 . 2 20 20 PHE HB2 H 1 2.926 . . 2 . . 3359 . B 126 PHE HB2 . 36452 1 262 . 2 . 2 20 20 PHE HB3 H 1 3.324 . . 2 . . 3360 . B 126 PHE HB3 . 36452 1 263 . 2 . 2 20 20 PHE HD1 H 1 6.675 . . 1 . . 3875 . B 126 PHE HD1 . 36452 1 264 . 2 . 2 20 20 PHE HD2 H 1 6.675 . . 1 . . 3875 . B 126 PHE HD2 . 36452 1 265 . 2 . 2 20 20 PHE HE1 H 1 6.394 . . 1 . . 3873 . B 126 PHE HE1 . 36452 1 266 . 2 . 2 20 20 PHE HE2 H 1 6.394 . . 1 . . 3873 . B 126 PHE HE2 . 36452 1 267 . 2 . 2 20 20 PHE C C 13 176.424 . . 1 . . 3229 . B 126 PHE C . 36452 1 268 . 2 . 2 20 20 PHE CA C 13 57.406 0.044 . 1 . . 2835 . B 126 PHE CA . 36452 1 269 . 2 . 2 20 20 PHE CB C 13 37.286 0.022 . 1 . . 2836 . B 126 PHE CB . 36452 1 270 . 2 . 2 20 20 PHE CD1 C 13 128.933 . . 1 . . 3876 . B 126 PHE CD1 . 36452 1 271 . 2 . 2 20 20 PHE CD2 C 13 128.933 . . 1 . . 3876 . B 126 PHE CD2 . 36452 1 272 . 2 . 2 20 20 PHE CE1 C 13 129.875 . . 1 . . 3874 . B 126 PHE CE1 . 36452 1 273 . 2 . 2 20 20 PHE CE2 C 13 129.875 . . 1 . . 3874 . B 126 PHE CE2 . 36452 1 274 . 2 . 2 20 20 PHE N N 15 128.646 0.066 . 1 . . 2674 . B 126 PHE N . 36452 1 275 . 2 . 2 21 21 ARG H H 1 8.616 0.004 . 1 . . 2555 . B 127 ARG H . 36452 1 276 . 2 . 2 21 21 ARG HA H 1 4.396 0.002 . 1 . . 3050 . B 127 ARG HA . 36452 1 277 . 2 . 2 21 21 ARG HB2 H 1 1.938 0.002 . 2 . . 3051 . B 127 ARG HB2 . 36452 1 278 . 2 . 2 21 21 ARG HB3 H 1 2.122 0.004 . 2 . . 3052 . B 127 ARG HB3 . 36452 1 279 . 2 . 2 21 21 ARG HG2 H 1 1.578 . . 2 . . 3524 . B 127 ARG HG2 . 36452 1 280 . 2 . 2 21 21 ARG HG3 H 1 1.807 . . 2 . . 3526 . B 127 ARG HG3 . 36452 1 281 . 2 . 2 21 21 ARG HD2 H 1 3.281 . . 1 . . 3527 . B 127 ARG HD2 . 36452 1 282 . 2 . 2 21 21 ARG HE H 1 8.734 . . 1 . . 2683 . B 127 ARG HE . 36452 1 283 . 2 . 2 21 21 ARG C C 13 177.662 . . 1 . . 3230 . B 127 ARG C . 36452 1 284 . 2 . 2 21 21 ARG CA C 13 57.236 0.064 . 1 . . 2833 . B 127 ARG CA . 36452 1 285 . 2 . 2 21 21 ARG CB C 13 29.796 0.087 . 1 . . 2834 . B 127 ARG CB . 36452 1 286 . 2 . 2 21 21 ARG CG C 13 27.560 0.003 . 1 . . 3525 . B 127 ARG CG . 36452 1 287 . 2 . 2 21 21 ARG CD C 13 43.059 . . 1 . . 3528 . B 127 ARG CD . 36452 1 288 . 2 . 2 21 21 ARG N N 15 113.024 0.021 . 1 . . 2556 . B 127 ARG N . 36452 1 289 . 2 . 2 21 21 ARG NE N 15 85.04 . . 1 . . 3888 . B 127 ARG NE . 36452 1 290 . 2 . 2 22 22 PHE H H 1 7.774 0.005 . 1 . . 2619 . B 128 PHE H . 36452 1 291 . 2 . 2 22 22 PHE HA H 1 4.575 0.002 . 1 . . 3053 . B 128 PHE HA . 36452 1 292 . 2 . 2 22 22 PHE HB2 H 1 3.704 0.015 . 2 . . 3054 . B 128 PHE HB2 . 36452 1 293 . 2 . 2 22 22 PHE HB3 H 1 2.744 0.002 . 2 . . 3055 . B 128 PHE HB3 . 36452 1 294 . 2 . 2 22 22 PHE HD1 H 1 6.913 . . 1 . . 3643 . B 128 PHE HD1 . 36452 1 295 . 2 . 2 22 22 PHE HD2 H 1 6.913 . . 1 . . 3643 . B 128 PHE HD2 . 36452 1 296 . 2 . 2 22 22 PHE C C 13 177.410 . . 1 . . 3231 . B 128 PHE C . 36452 1 297 . 2 . 2 22 22 PHE CA C 13 57.995 0.135 . 1 . . 2831 . B 128 PHE CA . 36452 1 298 . 2 . 2 22 22 PHE CB C 13 38.539 0.116 . 1 . . 2832 . B 128 PHE CB . 36452 1 299 . 2 . 2 22 22 PHE CD1 C 13 128.660 . . 1 . . 3644 . B 128 PHE CD1 . 36452 1 300 . 2 . 2 22 22 PHE CD2 C 13 128.660 . . 1 . . 3644 . B 128 PHE CD2 . 36452 1 301 . 2 . 2 22 22 PHE N N 15 119.730 0.038 . 1 . . 2620 . B 128 PHE N . 36452 1 302 . 2 . 2 23 23 ARG H H 1 9.925 0.002 . 1 . . 2751 . B 129 ARG H . 36452 1 303 . 2 . 2 23 23 ARG HA H 1 4.987 0.005 . 1 . . 3056 . B 129 ARG HA . 36452 1 304 . 2 . 2 23 23 ARG HB2 H 1 1.818 0.075 . 2 . . 3057 . B 129 ARG HB2 . 36452 1 305 . 2 . 2 23 23 ARG HB3 H 1 2.259 . . 2 . . 3361 . B 129 ARG HB3 . 36452 1 306 . 2 . 2 23 23 ARG HG2 H 1 1.841 . . 2 . . 3529 . B 129 ARG HG2 . 36452 1 307 . 2 . 2 23 23 ARG HG3 H 1 1.925 . . 2 . . 3531 . B 129 ARG HG3 . 36452 1 308 . 2 . 2 23 23 ARG HD2 H 1 3.414 . . 2 . . 3532 . B 129 ARG HD2 . 36452 1 309 . 2 . 2 23 23 ARG HD3 H 1 3.730 . . 2 . . 3534 . B 129 ARG HD3 . 36452 1 310 . 2 . 2 23 23 ARG HE H 1 7.528 . . 1 . . 2727 . B 129 ARG HE . 36452 1 311 . 2 . 2 23 23 ARG C C 13 176.587 . . 1 . . 3232 . B 129 ARG C . 36452 1 312 . 2 . 2 23 23 ARG CA C 13 52.947 0.064 . 1 . . 2829 . B 129 ARG CA . 36452 1 313 . 2 . 2 23 23 ARG CB C 13 33.989 0.011 . 1 . . 2830 . B 129 ARG CB . 36452 1 314 . 2 . 2 23 23 ARG CG C 13 27.078 0.003 . 1 . . 3530 . B 129 ARG CG . 36452 1 315 . 2 . 2 23 23 ARG CD C 13 42.730 0.022 . 1 . . 3533 . B 129 ARG CD . 36452 1 316 . 2 . 2 23 23 ARG N N 15 124.503 0.029 . 1 . . 2752 . B 129 ARG N . 36452 1 317 . 2 . 2 23 23 ARG NE N 15 84.50 . . 1 . . 3836 . B 129 ARG NE . 36452 1 318 . 2 . 2 24 24 ASP H H 1 9.006 0.006 . 1 . . 2581 . B 130 ASP H . 36452 1 319 . 2 . 2 24 24 ASP HA H 1 4.282 . . 1 . . 3362 . B 130 ASP HA . 36452 1 320 . 2 . 2 24 24 ASP HB2 H 1 2.680 . . 2 . . 3363 . B 130 ASP HB2 . 36452 1 321 . 2 . 2 24 24 ASP HB3 H 1 2.851 . . 2 . . 3365 . B 130 ASP HB3 . 36452 1 322 . 2 . 2 24 24 ASP CA C 13 59.935 0.225 . 1 . . 2970 . B 130 ASP CA . 36452 1 323 . 2 . 2 24 24 ASP CB C 13 38.217 0.007 . 1 . . 3364 . B 130 ASP CB . 36452 1 324 . 2 . 2 24 24 ASP N N 15 121.353 0.031 . 1 . . 2582 . B 130 ASP N . 36452 1 325 . 2 . 2 25 25 PRO HA H 1 4.185 0.001 . 1 . . 3058 . B 131 PRO HA . 36452 1 326 . 2 . 2 25 25 PRO HB2 H 1 1.772 0.0 . 2 . . 3059 . B 131 PRO HB2 . 36452 1 327 . 2 . 2 25 25 PRO HB3 H 1 2.329 0.004 . 2 . . 3060 . B 131 PRO HB3 . 36452 1 328 . 2 . 2 25 25 PRO HG2 H 1 1.979 . . 1 . . 3366 . B 131 PRO HG2 . 36452 1 329 . 2 . 2 25 25 PRO HD2 H 1 3.560 . . 2 . . 3368 . B 131 PRO HD2 . 36452 1 330 . 2 . 2 25 25 PRO HD3 H 1 3.810 . . 2 . . 3370 . B 131 PRO HD3 . 36452 1 331 . 2 . 2 25 25 PRO C C 13 179.298 . . 1 . . 3233 . B 131 PRO C . 36452 1 332 . 2 . 2 25 25 PRO CA C 13 66.243 0.071 . 1 . . 2827 . B 131 PRO CA . 36452 1 333 . 2 . 2 25 25 PRO CB C 13 31.170 0.085 . 1 . . 2828 . B 131 PRO CB . 36452 1 334 . 2 . 2 25 25 PRO CG C 13 28.550 . . 1 . . 3367 . B 131 PRO CG . 36452 1 335 . 2 . 2 25 25 PRO CD C 13 51.096 0.006 . 1 . . 3369 . B 131 PRO CD . 36452 1 336 . 2 . 2 26 26 ASP H H 1 7.474 0.003 . 1 . . 2707 . B 132 ASP H . 36452 1 337 . 2 . 2 26 26 ASP HA H 1 4.080 0.0 . 1 . . 3061 . B 132 ASP HA . 36452 1 338 . 2 . 2 26 26 ASP HB2 H 1 0.929 0.002 . 2 . . 3062 . B 132 ASP HB2 . 36452 1 339 . 2 . 2 26 26 ASP HB3 H 1 2.024 0.001 . 2 . . 3063 . B 132 ASP HB3 . 36452 1 340 . 2 . 2 26 26 ASP C C 13 179.253 . . 1 . . 3234 . B 132 ASP C . 36452 1 341 . 2 . 2 26 26 ASP CA C 13 57.270 0.02 . 1 . . 2825 . B 132 ASP CA . 36452 1 342 . 2 . 2 26 26 ASP CB C 13 40.643 0.046 . 1 . . 2826 . B 132 ASP CB . 36452 1 343 . 2 . 2 26 26 ASP N N 15 115.079 0.044 . 1 . . 2708 . B 132 ASP N . 36452 1 344 . 2 . 2 27 27 LEU H H 1 7.306 0.004 . 1 . . 2725 . B 133 LEU H . 36452 1 345 . 2 . 2 27 27 LEU HA H 1 4.390 0.0 . 1 . . 3064 . B 133 LEU HA . 36452 1 346 . 2 . 2 27 27 LEU HB2 H 1 1.405 0.004 . 2 . . 3065 . B 133 LEU HB2 . 36452 1 347 . 2 . 2 27 27 LEU HB3 H 1 1.895 . . 2 . . 3371 . B 133 LEU HB3 . 36452 1 348 . 2 . 2 27 27 LEU HG H 1 1.679 . . 1 . . 3372 . B 133 LEU HG . 36452 1 349 . 2 . 2 27 27 LEU HD11 H 1 0.780 . . 2 . . 3374 . B 133 LEU HD11 . 36452 1 350 . 2 . 2 27 27 LEU HD12 H 1 0.780 . . 2 . . 3374 . B 133 LEU HD12 . 36452 1 351 . 2 . 2 27 27 LEU HD13 H 1 0.780 . . 2 . . 3374 . B 133 LEU HD13 . 36452 1 352 . 2 . 2 27 27 LEU HD21 H 1 0.953 . . 2 . . 3376 . B 133 LEU HD21 . 36452 1 353 . 2 . 2 27 27 LEU HD22 H 1 0.953 . . 2 . . 3376 . B 133 LEU HD22 . 36452 1 354 . 2 . 2 27 27 LEU HD23 H 1 0.953 . . 2 . . 3376 . B 133 LEU HD23 . 36452 1 355 . 2 . 2 27 27 LEU C C 13 179.131 . . 1 . . 3235 . B 133 LEU C . 36452 1 356 . 2 . 2 27 27 LEU CA C 13 57.534 0.023 . 1 . . 2824 . B 133 LEU CA . 36452 1 357 . 2 . 2 27 27 LEU CB C 13 42.578 0.086 . 1 . . 2823 . B 133 LEU CB . 36452 1 358 . 2 . 2 27 27 LEU CG C 13 27.392 . . 1 . . 3373 . B 133 LEU CG . 36452 1 359 . 2 . 2 27 27 LEU CD1 C 13 26.135 . . 2 . . 3375 . B 133 LEU CD1 . 36452 1 360 . 2 . 2 27 27 LEU CD2 C 13 23.953 . . 2 . . 3377 . B 133 LEU CD2 . 36452 1 361 . 2 . 2 27 27 LEU N N 15 117.729 0.022 . 1 . . 2726 . B 133 LEU N . 36452 1 362 . 2 . 2 28 28 ARG H H 1 8.539 0.004 . 1 . . 2645 . B 134 ARG H . 36452 1 363 . 2 . 2 28 28 ARG HA H 1 3.743 0.006 . 1 . . 3066 . B 134 ARG HA . 36452 1 364 . 2 . 2 28 28 ARG HB2 H 1 1.849 0.0 . 1 . . 3067 . B 134 ARG HB2 . 36452 1 365 . 2 . 2 28 28 ARG HG2 H 1 1.430 . . 2 . . 3535 . B 134 ARG HG2 . 36452 1 366 . 2 . 2 28 28 ARG HG3 H 1 1.607 . . 2 . . 3537 . B 134 ARG HG3 . 36452 1 367 . 2 . 2 28 28 ARG HD2 H 1 3.056 . . 2 . . 3379 . B 134 ARG HD2 . 36452 1 368 . 2 . 2 28 28 ARG HD3 H 1 3.270 . . 2 . . 3380 . B 134 ARG HD3 . 36452 1 369 . 2 . 2 28 28 ARG C C 13 179.132 . . 1 . . 3236 . B 134 ARG C . 36452 1 370 . 2 . 2 28 28 ARG CA C 13 60.948 0.076 . 1 . . 2822 . B 134 ARG CA . 36452 1 371 . 2 . 2 28 28 ARG CB C 13 30.037 0.073 . 1 . . 2821 . B 134 ARG CB . 36452 1 372 . 2 . 2 28 28 ARG CG C 13 29.617 0.005 . 1 . . 3536 . B 134 ARG CG . 36452 1 373 . 2 . 2 28 28 ARG CD C 13 43.057 0.016 . 1 . . 3378 . B 134 ARG CD . 36452 1 374 . 2 . 2 28 28 ARG N N 15 119.931 0.041 . 1 . . 2646 . B 134 ARG N . 36452 1 375 . 2 . 2 29 29 GLN H H 1 8.072 0.003 . 1 . . 2651 . B 135 GLN H . 36452 1 376 . 2 . 2 29 29 GLN HA H 1 4.051 0.006 . 1 . . 3068 . B 135 GLN HA . 36452 1 377 . 2 . 2 29 29 GLN HB2 H 1 2.118 0.004 . 2 . . 3069 . B 135 GLN HB2 . 36452 1 378 . 2 . 2 29 29 GLN HB3 H 1 2.141 . . 2 . . 3538 . B 135 GLN HB3 . 36452 1 379 . 2 . 2 29 29 GLN HG2 H 1 2.404 . . 1 . . 3539 . B 135 GLN HG2 . 36452 1 380 . 2 . 2 29 29 GLN HE21 H 1 6.789 . . 1 . . 3010 . B 135 GLN HE21 . 36452 1 381 . 2 . 2 29 29 GLN HE22 H 1 7.381 . . 1 . . 3012 . B 135 GLN HE22 . 36452 1 382 . 2 . 2 29 29 GLN C C 13 177.868 . . 1 . . 3237 . B 135 GLN C . 36452 1 383 . 2 . 2 29 29 GLN CA C 13 58.807 0.019 . 1 . . 2819 . B 135 GLN CA . 36452 1 384 . 2 . 2 29 29 GLN CB C 13 28.380 0.032 . 1 . . 2820 . B 135 GLN CB . 36452 1 385 . 2 . 2 29 29 GLN CG C 13 33.787 . . 1 . . 3540 . B 135 GLN CG . 36452 1 386 . 2 . 2 29 29 GLN N N 15 118.240 0.027 . 1 . . 2652 . B 135 GLN N . 36452 1 387 . 2 . 2 29 29 GLN NE2 N 15 111.561 0.008 . 1 . . 3011 . B 135 GLN NE2 . 36452 1 388 . 2 . 2 30 30 MET H H 1 7.382 0.005 . 1 . . 2757 . B 136 MET H . 36452 1 389 . 2 . 2 30 30 MET HA H 1 4.151 0.005 . 1 . . 3070 . B 136 MET HA . 36452 1 390 . 2 . 2 30 30 MET HB2 H 1 2.129 0.001 . 2 . . 3071 . B 136 MET HB2 . 36452 1 391 . 2 . 2 30 30 MET HB3 H 1 2.343 0.004 . 2 . . 3072 . B 136 MET HB3 . 36452 1 392 . 2 . 2 30 30 MET HG2 H 1 1.967 . . 1 . . 3381 . B 136 MET HG2 . 36452 1 393 . 2 . 2 30 30 MET C C 13 177.477 . . 1 . . 3238 . B 136 MET C . 36452 1 394 . 2 . 2 30 30 MET CA C 13 58.934 0.044 . 1 . . 2817 . B 136 MET CA . 36452 1 395 . 2 . 2 30 30 MET CB C 13 34.647 0.093 . 1 . . 2818 . B 136 MET CB . 36452 1 396 . 2 . 2 30 30 MET CG C 13 31.568 . . 1 . . 3382 . B 136 MET CG . 36452 1 397 . 2 . 2 30 30 MET N N 15 117.368 0.024 . 1 . . 2758 . B 136 MET N . 36452 1 398 . 2 . 2 31 31 PHE H H 1 8.456 0.003 . 1 . . 2599 . B 137 PHE H . 36452 1 399 . 2 . 2 31 31 PHE HA H 1 4.572 0.009 . 1 . . 3073 . B 137 PHE HA . 36452 1 400 . 2 . 2 31 31 PHE HB2 H 1 2.938 0.001 . 2 . . 3074 . B 137 PHE HB2 . 36452 1 401 . 2 . 2 31 31 PHE HB3 H 1 3.321 0.005 . 2 . . 3075 . B 137 PHE HB3 . 36452 1 402 . 2 . 2 31 31 PHE HD1 H 1 7.618 . . 1 . . 3621 . B 137 PHE HD1 . 36452 1 403 . 2 . 2 31 31 PHE HD2 H 1 7.618 . . 1 . . 3621 . B 137 PHE HD2 . 36452 1 404 . 2 . 2 31 31 PHE HE1 H 1 7.147 . . 1 . . 3623 . B 137 PHE HE1 . 36452 1 405 . 2 . 2 31 31 PHE HE2 H 1 7.147 . . 1 . . 3623 . B 137 PHE HE2 . 36452 1 406 . 2 . 2 31 31 PHE HZ H 1 7.017 . . 1 . . 3637 . B 137 PHE HZ . 36452 1 407 . 2 . 2 31 31 PHE C C 13 177.592 . . 1 . . 3239 . B 137 PHE C . 36452 1 408 . 2 . 2 31 31 PHE CA C 13 61.465 0.131 . 1 . . 2815 . B 137 PHE CA . 36452 1 409 . 2 . 2 31 31 PHE CB C 13 39.463 0.081 . 1 . . 2816 . B 137 PHE CB . 36452 1 410 . 2 . 2 31 31 PHE CD1 C 13 131.352 . . 1 . . 3622 . B 137 PHE CD1 . 36452 1 411 . 2 . 2 31 31 PHE CD2 C 13 131.352 . . 1 . . 3622 . B 137 PHE CD2 . 36452 1 412 . 2 . 2 31 31 PHE CE1 C 13 131.195 . . 1 . . 3624 . B 137 PHE CE1 . 36452 1 413 . 2 . 2 31 31 PHE CE2 C 13 131.195 . . 1 . . 3624 . B 137 PHE CE2 . 36452 1 414 . 2 . 2 31 31 PHE CZ C 13 129.511 . . 1 . . 3638 . B 137 PHE CZ . 36452 1 415 . 2 . 2 31 31 PHE N N 15 113.767 0.04 . 1 . . 2600 . B 137 PHE N . 36452 1 416 . 2 . 2 32 32 GLY H H 1 8.383 0.004 . 1 . . 2597 . B 138 GLY H . 36452 1 417 . 2 . 2 32 32 GLY HA2 H 1 4.378 0.005 . 2 . . 3076 . B 138 GLY HA2 . 36452 1 418 . 2 . 2 32 32 GLY HA3 H 1 4.091 0.002 . 2 . . 3077 . B 138 GLY HA3 . 36452 1 419 . 2 . 2 32 32 GLY C C 13 175.176 . . 1 . . 3240 . B 138 GLY C . 36452 1 420 . 2 . 2 32 32 GLY CA C 13 47.028 0.04 . 1 . . 2852 . B 138 GLY CA . 36452 1 421 . 2 . 2 32 32 GLY N N 15 109.063 0.026 . 1 . . 2598 . B 138 GLY N . 36452 1 422 . 2 . 2 33 33 GLN H H 1 7.196 0.004 . 1 . . 2653 . B 139 GLN H . 36452 1 423 . 2 . 2 33 33 GLN HA H 1 4.107 0.002 . 1 . . 3078 . B 139 GLN HA . 36452 1 424 . 2 . 2 33 33 GLN HB2 H 1 1.676 0.0 . 1 . . 3079 . B 139 GLN HB2 . 36452 1 425 . 2 . 2 33 33 GLN HG2 H 1 1.459 . . 2 . . 3383 . B 139 GLN HG2 . 36452 1 426 . 2 . 2 33 33 GLN HG3 H 1 1.925 . . 2 . . 3385 . B 139 GLN HG3 . 36452 1 427 . 2 . 2 33 33 GLN HE21 H 1 6.888 . . 1 . . 3830 . B 139 GLN HE21 . 36452 1 428 . 2 . 2 33 33 GLN HE22 H 1 7.604 . . 1 . . 3832 . B 139 GLN HE22 . 36452 1 429 . 2 . 2 33 33 GLN C C 13 176.385 . . 1 . . 3241 . B 139 GLN C . 36452 1 430 . 2 . 2 33 33 GLN CA C 13 57.109 0.005 . 1 . . 2850 . B 139 GLN CA . 36452 1 431 . 2 . 2 33 33 GLN CB C 13 28.546 0.006 . 1 . . 2851 . B 139 GLN CB . 36452 1 432 . 2 . 2 33 33 GLN CG C 13 33.309 0.015 . 1 . . 3384 . B 139 GLN CG . 36452 1 433 . 2 . 2 33 33 GLN N N 15 116.096 0.025 . 1 . . 2654 . B 139 GLN N . 36452 1 434 . 2 . 2 33 33 GLN NE2 N 15 112.642 0.026 . 1 . . 3831 . B 139 GLN NE2 . 36452 1 435 . 2 . 2 34 34 PHE H H 1 7.920 0.004 . 1 . . 2589 . B 140 PHE H . 36452 1 436 . 2 . 2 34 34 PHE HA H 1 4.412 0.006 . 1 . . 3080 . B 140 PHE HA . 36452 1 437 . 2 . 2 34 34 PHE HB2 H 1 3.134 0.001 . 2 . . 3081 . B 140 PHE HB2 . 36452 1 438 . 2 . 2 34 34 PHE HB3 H 1 3.413 0.008 . 2 . . 3082 . B 140 PHE HB3 . 36452 1 439 . 2 . 2 34 34 PHE HZ H 1 7.118 . . 1 . . 3639 . B 140 PHE HZ . 36452 1 440 . 2 . 2 34 34 PHE C C 13 174.294 . . 1 . . 3242 . B 140 PHE C . 36452 1 441 . 2 . 2 34 34 PHE CA C 13 59.831 0.081 . 1 . . 2848 . B 140 PHE CA . 36452 1 442 . 2 . 2 34 34 PHE CB C 13 40.085 0.099 . 1 . . 2849 . B 140 PHE CB . 36452 1 443 . 2 . 2 34 34 PHE CZ C 13 129.567 . . 1 . . 3640 . B 140 PHE CZ . 36452 1 444 . 2 . 2 34 34 PHE N N 15 115.507 0.027 . 1 . . 2590 . B 140 PHE N . 36452 1 445 . 2 . 2 35 35 GLY H H 1 7.356 0.003 . 1 . . 2573 . B 141 GLY H . 36452 1 446 . 2 . 2 35 35 GLY HA2 H 1 4.834 0.006 . 2 . . 3083 . B 141 GLY HA2 . 36452 1 447 . 2 . 2 35 35 GLY HA3 H 1 3.862 0.01 . 2 . . 3084 . B 141 GLY HA3 . 36452 1 448 . 2 . 2 35 35 GLY C C 13 171.606 . . 1 . . 3243 . B 141 GLY C . 36452 1 449 . 2 . 2 35 35 GLY CA C 13 44.675 0.061 . 1 . . 2847 . B 141 GLY CA . 36452 1 450 . 2 . 2 35 35 GLY N N 15 104.743 0.033 . 1 . . 2574 . B 141 GLY N . 36452 1 451 . 2 . 2 36 36 LYS H H 1 8.340 0.003 . 1 . . 2843 . B 142 LYS H . 36452 1 452 . 2 . 2 36 36 LYS HA H 1 4.169 0.001 . 1 . . 3085 . B 142 LYS HA . 36452 1 453 . 2 . 2 36 36 LYS HB2 H 1 1.821 0.001 . 1 . . 3086 . B 142 LYS HB2 . 36452 1 454 . 2 . 2 36 36 LYS HG2 H 1 1.435 . . 2 . . 3541 . B 142 LYS HG2 . 36452 1 455 . 2 . 2 36 36 LYS HG3 H 1 1.252 . . 2 . . 3543 . B 142 LYS HG3 . 36452 1 456 . 2 . 2 36 36 LYS HD2 H 1 1.698 . . 1 . . 3544 . B 142 LYS HD2 . 36452 1 457 . 2 . 2 36 36 LYS HE2 H 1 2.993 . . 2 . . 3546 . B 142 LYS HE2 . 36452 1 458 . 2 . 2 36 36 LYS HE3 H 1 2.905 . . 2 . . 3548 . B 142 LYS HE3 . 36452 1 459 . 2 . 2 36 36 LYS C C 13 176.852 . . 1 . . 3244 . B 142 LYS C . 36452 1 460 . 2 . 2 36 36 LYS CA C 13 58.002 0.152 . 1 . . 2845 . B 142 LYS CA . 36452 1 461 . 2 . 2 36 36 LYS CB C 13 32.864 0.029 . 1 . . 2846 . B 142 LYS CB . 36452 1 462 . 2 . 2 36 36 LYS CG C 13 25.270 0.005 . 1 . . 3542 . B 142 LYS CG . 36452 1 463 . 2 . 2 36 36 LYS CD C 13 29.291 . . 1 . . 3545 . B 142 LYS CD . 36452 1 464 . 2 . 2 36 36 LYS CE C 13 42.341 0.004 . 1 . . 3547 . B 142 LYS CE . 36452 1 465 . 2 . 2 36 36 LYS N N 15 117.645 0.026 . 1 . . 2844 . B 142 LYS N . 36452 1 466 . 2 . 2 37 37 ILE H H 1 8.689 0.003 . 1 . . 2623 . B 143 ILE H . 36452 1 467 . 2 . 2 37 37 ILE HA H 1 4.113 0.003 . 1 . . 3087 . B 143 ILE HA . 36452 1 468 . 2 . 2 37 37 ILE HB H 1 1.683 0.005 . 1 . . 3088 . B 143 ILE HB . 36452 1 469 . 2 . 2 37 37 ILE HG12 H 1 0.566 . . 2 . . 3387 . B 143 ILE HG12 . 36452 1 470 . 2 . 2 37 37 ILE HG13 H 1 1.385 . . 2 . . 3388 . B 143 ILE HG13 . 36452 1 471 . 2 . 2 37 37 ILE HG21 H 1 0.505 . . 1 . . 3389 . B 143 ILE HG21 . 36452 1 472 . 2 . 2 37 37 ILE HG22 H 1 0.505 . . 1 . . 3389 . B 143 ILE HG22 . 36452 1 473 . 2 . 2 37 37 ILE HG23 H 1 0.505 . . 1 . . 3389 . B 143 ILE HG23 . 36452 1 474 . 2 . 2 37 37 ILE HD11 H 1 0.212 . . 1 . . 3391 . B 143 ILE HD11 . 36452 1 475 . 2 . 2 37 37 ILE HD12 H 1 0.212 . . 1 . . 3391 . B 143 ILE HD12 . 36452 1 476 . 2 . 2 37 37 ILE HD13 H 1 0.212 . . 1 . . 3391 . B 143 ILE HD13 . 36452 1 477 . 2 . 2 37 37 ILE C C 13 176.528 . . 1 . . 3245 . B 143 ILE C . 36452 1 478 . 2 . 2 37 37 ILE CA C 13 59.305 0.054 . 1 . . 2971 . B 143 ILE CA . 36452 1 479 . 2 . 2 37 37 ILE CB C 13 39.468 0.053 . 1 . . 2972 . B 143 ILE CB . 36452 1 480 . 2 . 2 37 37 ILE CG1 C 13 27.276 0.002 . 1 . . 3386 . B 143 ILE CG1 . 36452 1 481 . 2 . 2 37 37 ILE CG2 C 13 18.706 . . 1 . . 3390 . B 143 ILE CG2 . 36452 1 482 . 2 . 2 37 37 ILE CD1 C 13 12.775 . . 1 . . 3392 . B 143 ILE CD1 . 36452 1 483 . 2 . 2 37 37 ILE N N 15 128.352 0.045 . 1 . . 2624 . B 143 ILE N . 36452 1 484 . 2 . 2 38 38 LEU H H 1 8.874 0.003 . 1 . . 2587 . B 144 LEU H . 36452 1 485 . 2 . 2 38 38 LEU HA H 1 4.382 0.007 . 1 . . 3089 . B 144 LEU HA . 36452 1 486 . 2 . 2 38 38 LEU HB2 H 1 1.349 0.003 . 2 . . 3090 . B 144 LEU HB2 . 36452 1 487 . 2 . 2 38 38 LEU HB3 H 1 1.537 0.002 . 2 . . 3091 . B 144 LEU HB3 . 36452 1 488 . 2 . 2 38 38 LEU HG H 1 1.388 . . 1 . . 3394 . B 144 LEU HG . 36452 1 489 . 2 . 2 38 38 LEU HD11 H 1 0.855 . . 2 . . 3395 . B 144 LEU HD11 . 36452 1 490 . 2 . 2 38 38 LEU HD12 H 1 0.855 . . 2 . . 3395 . B 144 LEU HD12 . 36452 1 491 . 2 . 2 38 38 LEU HD13 H 1 0.855 . . 2 . . 3395 . B 144 LEU HD13 . 36452 1 492 . 2 . 2 38 38 LEU HD21 H 1 0.894 . . 2 . . 3397 . B 144 LEU HD21 . 36452 1 493 . 2 . 2 38 38 LEU HD22 H 1 0.894 . . 2 . . 3397 . B 144 LEU HD22 . 36452 1 494 . 2 . 2 38 38 LEU HD23 H 1 0.894 . . 2 . . 3397 . B 144 LEU HD23 . 36452 1 495 . 2 . 2 38 38 LEU C C 13 176.626 . . 1 . . 3246 . B 144 LEU C . 36452 1 496 . 2 . 2 38 38 LEU CA C 13 55.538 0.006 . 1 . . 2973 . B 144 LEU CA . 36452 1 497 . 2 . 2 38 38 LEU CB C 13 43.264 0.011 . 1 . . 2974 . B 144 LEU CB . 36452 1 498 . 2 . 2 38 38 LEU CG C 13 27.199 . . 1 . . 3393 . B 144 LEU CG . 36452 1 499 . 2 . 2 38 38 LEU CD1 C 13 22.518 . . 2 . . 3396 . B 144 LEU CD1 . 36452 1 500 . 2 . 2 38 38 LEU CD2 C 13 25.819 . . 2 . . 3398 . B 144 LEU CD2 . 36452 1 501 . 2 . 2 38 38 LEU N N 15 126.150 0.041 . 1 . . 2588 . B 144 LEU N . 36452 1 502 . 2 . 2 39 39 ASP H H 1 7.343 0.003 . 1 . . 2547 . B 145 ASP H . 36452 1 503 . 2 . 2 39 39 ASP HA H 1 4.740 0.001 . 1 . . 3092 . B 145 ASP HA . 36452 1 504 . 2 . 2 39 39 ASP HB2 H 1 2.593 0.0 . 2 . . 3093 . B 145 ASP HB2 . 36452 1 505 . 2 . 2 39 39 ASP HB3 H 1 2.658 . . 2 . . 3502 . B 145 ASP HB3 . 36452 1 506 . 2 . 2 39 39 ASP C C 13 173.357 . . 1 . . 3247 . B 145 ASP C . 36452 1 507 . 2 . 2 39 39 ASP CA C 13 54.298 0.116 . 1 . . 2977 . B 145 ASP CA . 36452 1 508 . 2 . 2 39 39 ASP CB C 13 43.913 0.125 . 1 . . 2978 . B 145 ASP CB . 36452 1 509 . 2 . 2 39 39 ASP N N 15 115.057 0.065 . 1 . . 2548 . B 145 ASP N . 36452 1 510 . 2 . 2 40 40 VAL H H 1 8.097 0.006 . 1 . . 2775 . B 146 VAL H . 36452 1 511 . 2 . 2 40 40 VAL HA H 1 4.809 0.004 . 1 . . 3094 . B 146 VAL HA . 36452 1 512 . 2 . 2 40 40 VAL HB H 1 1.979 0.001 . 1 . . 3095 . B 146 VAL HB . 36452 1 513 . 2 . 2 40 40 VAL HG11 H 1 0.823 . . 2 . . 3399 . B 146 VAL HG11 . 36452 1 514 . 2 . 2 40 40 VAL HG12 H 1 0.823 . . 2 . . 3399 . B 146 VAL HG12 . 36452 1 515 . 2 . 2 40 40 VAL HG13 H 1 0.823 . . 2 . . 3399 . B 146 VAL HG13 . 36452 1 516 . 2 . 2 40 40 VAL HG21 H 1 0.869 . . 2 . . 3401 . B 146 VAL HG21 . 36452 1 517 . 2 . 2 40 40 VAL HG22 H 1 0.869 . . 2 . . 3401 . B 146 VAL HG22 . 36452 1 518 . 2 . 2 40 40 VAL HG23 H 1 0.869 . . 2 . . 3401 . B 146 VAL HG23 . 36452 1 519 . 2 . 2 40 40 VAL C C 13 173.754 . . 1 . . 3248 . B 146 VAL C . 36452 1 520 . 2 . 2 40 40 VAL CA C 13 60.740 0.056 . 1 . . 2979 . B 146 VAL CA . 36452 1 521 . 2 . 2 40 40 VAL CB C 13 35.801 0.045 . 1 . . 2980 . B 146 VAL CB . 36452 1 522 . 2 . 2 40 40 VAL CG1 C 13 21.451 . . 2 . . 3400 . B 146 VAL CG1 . 36452 1 523 . 2 . 2 40 40 VAL CG2 C 13 23.000 . . 2 . . 3402 . B 146 VAL CG2 . 36452 1 524 . 2 . 2 40 40 VAL N N 15 117.718 0.029 . 1 . . 2776 . B 146 VAL N . 36452 1 525 . 2 . 2 41 41 GLU H H 1 8.665 0.006 . 1 . . 2687 . B 147 GLU H . 36452 1 526 . 2 . 2 41 41 GLU HA H 1 4.786 . . 1 . . 3599 . B 147 GLU HA . 36452 1 527 . 2 . 2 41 41 GLU HB2 H 1 2.080 0.003 . 1 . . 3096 . B 147 GLU HB2 . 36452 1 528 . 2 . 2 41 41 GLU C C 13 174.268 . . 1 . . 3249 . B 147 GLU C . 36452 1 529 . 2 . 2 41 41 GLU CA C 13 56.132 0.141 . 1 . . 2975 . B 147 GLU CA . 36452 1 530 . 2 . 2 41 41 GLU CB C 13 33.175 0.078 . 1 . . 2976 . B 147 GLU CB . 36452 1 531 . 2 . 2 41 41 GLU N N 15 123.063 0.12 . 1 . . 2688 . B 147 GLU N . 36452 1 532 . 2 . 2 42 42 ILE H H 1 8.992 0.006 . 1 . . 2621 . B 148 ILE H . 36452 1 533 . 2 . 2 42 42 ILE HA H 1 4.178 0.003 . 1 . . 3097 . B 148 ILE HA . 36452 1 534 . 2 . 2 42 42 ILE HB H 1 1.777 0.007 . 1 . . 3208 . B 148 ILE HB . 36452 1 535 . 2 . 2 42 42 ILE HG12 H 1 0.871 . . 2 . . 3403 . B 148 ILE HG12 . 36452 1 536 . 2 . 2 42 42 ILE HG13 H 1 1.517 . . 2 . . 3405 . B 148 ILE HG13 . 36452 1 537 . 2 . 2 42 42 ILE HG21 H 1 0.398 . . 1 . . 3407 . B 148 ILE HG21 . 36452 1 538 . 2 . 2 42 42 ILE HG22 H 1 0.398 . . 1 . . 3407 . B 148 ILE HG22 . 36452 1 539 . 2 . 2 42 42 ILE HG23 H 1 0.398 . . 1 . . 3407 . B 148 ILE HG23 . 36452 1 540 . 2 . 2 42 42 ILE HD11 H 1 0.709 . . 1 . . 3408 . B 148 ILE HD11 . 36452 1 541 . 2 . 2 42 42 ILE HD12 H 1 0.709 . . 1 . . 3408 . B 148 ILE HD12 . 36452 1 542 . 2 . 2 42 42 ILE HD13 H 1 0.709 . . 1 . . 3408 . B 148 ILE HD13 . 36452 1 543 . 2 . 2 42 42 ILE C C 13 173.877 . . 1 . . 3250 . B 148 ILE C . 36452 1 544 . 2 . 2 42 42 ILE CA C 13 60.591 0.016 . 1 . . 2981 . B 148 ILE CA . 36452 1 545 . 2 . 2 42 42 ILE CB C 13 39.139 0.095 . 1 . . 2982 . B 148 ILE CB . 36452 1 546 . 2 . 2 42 42 ILE CG1 C 13 29.472 0.055 . 1 . . 3404 . B 148 ILE CG1 . 36452 1 547 . 2 . 2 42 42 ILE CG2 C 13 17.535 . . 1 . . 3406 . B 148 ILE CG2 . 36452 1 548 . 2 . 2 42 42 ILE CD1 C 13 13.135 . . 1 . . 3409 . B 148 ILE CD1 . 36452 1 549 . 2 . 2 42 42 ILE N N 15 127.698 0.099 . 1 . . 2622 . B 148 ILE N . 36452 1 550 . 2 . 2 43 43 ILE H H 1 7.412 0.004 . 1 . . 2679 . B 149 ILE H . 36452 1 551 . 2 . 2 43 43 ILE HA H 1 4.153 . . 1 . . 3417 . B 149 ILE HA . 36452 1 552 . 2 . 2 43 43 ILE HB H 1 0.857 . . 1 . . 3410 . B 149 ILE HB . 36452 1 553 . 2 . 2 43 43 ILE HG12 H 1 1.317 . . 1 . . 3412 . B 149 ILE HG12 . 36452 1 554 . 2 . 2 43 43 ILE HG21 H 1 0.823 0.009 . 1 . . 3413 . B 149 ILE HG21 . 36452 1 555 . 2 . 2 43 43 ILE HG22 H 1 0.823 0.009 . 1 . . 3413 . B 149 ILE HG22 . 36452 1 556 . 2 . 2 43 43 ILE HG23 H 1 0.823 0.009 . 1 . . 3413 . B 149 ILE HG23 . 36452 1 557 . 2 . 2 43 43 ILE HD11 H 1 0.891 0.005 . 1 . . 3415 . B 149 ILE HD11 . 36452 1 558 . 2 . 2 43 43 ILE HD12 H 1 0.891 0.005 . 1 . . 3415 . B 149 ILE HD12 . 36452 1 559 . 2 . 2 43 43 ILE HD13 H 1 0.891 0.005 . 1 . . 3415 . B 149 ILE HD13 . 36452 1 560 . 2 . 2 43 43 ILE C C 13 173.910 . . 1 . . 3251 . B 149 ILE C . 36452 1 561 . 2 . 2 43 43 ILE CA C 13 58.607 0.02 . 1 . . 2983 . B 149 ILE CA . 36452 1 562 . 2 . 2 43 43 ILE CB C 13 34.644 0.069 . 1 . . 2984 . B 149 ILE CB . 36452 1 563 . 2 . 2 43 43 ILE CG1 C 13 28.463 . . 1 . . 3411 . B 149 ILE CG1 . 36452 1 564 . 2 . 2 43 43 ILE CG2 C 13 18.647 0.022 . 1 . . 3414 . B 149 ILE CG2 . 36452 1 565 . 2 . 2 43 43 ILE CD1 C 13 9.083 0.032 . 1 . . 3416 . B 149 ILE CD1 . 36452 1 566 . 2 . 2 43 43 ILE N N 15 126.056 0.063 . 1 . . 2680 . B 149 ILE N . 36452 1 567 . 2 . 2 44 44 PHE H H 1 8.741 0.005 . 1 . . 2767 . B 150 PHE H . 36452 1 568 . 2 . 2 44 44 PHE HA H 1 5.025 . . 1 . . 3503 . B 150 PHE HA . 36452 1 569 . 2 . 2 44 44 PHE HB2 H 1 2.784 . . 2 . . 3504 . B 150 PHE HB2 . 36452 1 570 . 2 . 2 44 44 PHE HB3 H 1 2.947 . . 2 . . 3505 . B 150 PHE HB3 . 36452 1 571 . 2 . 2 44 44 PHE HD1 H 1 6.797 . . 1 . . 3641 . B 150 PHE HD1 . 36452 1 572 . 2 . 2 44 44 PHE HD2 H 1 6.797 . . 1 . . 3641 . B 150 PHE HD2 . 36452 1 573 . 2 . 2 44 44 PHE C C 13 176.340 . . 1 . . 3252 . B 150 PHE C . 36452 1 574 . 2 . 2 44 44 PHE CA C 13 56.817 0.063 . 1 . . 2950 . B 150 PHE CA . 36452 1 575 . 2 . 2 44 44 PHE CB C 13 43.810 0.02 . 1 . . 2951 . B 150 PHE CB . 36452 1 576 . 2 . 2 44 44 PHE CD1 C 13 131.532 . . 1 . . 3642 . B 150 PHE CD1 . 36452 1 577 . 2 . 2 44 44 PHE CD2 C 13 131.532 . . 1 . . 3642 . B 150 PHE CD2 . 36452 1 578 . 2 . 2 44 44 PHE N N 15 125.064 0.042 . 1 . . 2768 . B 150 PHE N . 36452 1 579 . 2 . 2 45 45 ASN H H 1 9.019 0.006 . 1 . . 2789 . B 151 ASN H . 36452 1 580 . 2 . 2 45 45 ASN HA H 1 4.665 . . 1 . . 3879 . B 151 ASN HA . 36452 1 581 . 2 . 2 45 45 ASN HB2 H 1 2.696 . . 2 . . 3884 . B 151 ASN HB2 . 36452 1 582 . 2 . 2 45 45 ASN HB3 H 1 2.850 . . 2 . . 3886 . B 151 ASN HB3 . 36452 1 583 . 2 . 2 45 45 ASN C C 13 177.114 . . 1 . . 3253 . B 151 ASN C . 36452 1 584 . 2 . 2 45 45 ASN CA C 13 52.425 . . 1 . . 2949 . B 151 ASN CA . 36452 1 585 . 2 . 2 45 45 ASN CB C 13 39.250 . . 1 . . 2948 . B 151 ASN CB . 36452 1 586 . 2 . 2 45 45 ASN N N 15 118.126 0.047 . 1 . . 2790 . B 151 ASN N . 36452 1 587 . 2 . 2 46 46 GLU H H 1 9.539 0.006 . 1 . . 2579 . B 152 GLU H . 36452 1 588 . 2 . 2 46 46 GLU HA H 1 4.159 0.001 . 1 . . 3098 . B 152 GLU HA . 36452 1 589 . 2 . 2 46 46 GLU HB2 H 1 2.067 0.0 . 1 . . 3099 . B 152 GLU HB2 . 36452 1 590 . 2 . 2 46 46 GLU HG2 H 1 2.263 . . 2 . . 3549 . B 152 GLU HG2 . 36452 1 591 . 2 . 2 46 46 GLU HG3 H 1 2.401 . . 2 . . 3551 . B 152 GLU HG3 . 36452 1 592 . 2 . 2 46 46 GLU C C 13 177.632 . . 1 . . 3254 . B 152 GLU C . 36452 1 593 . 2 . 2 46 46 GLU CA C 13 59.439 0.025 . 1 . . 2944 . B 152 GLU CA . 36452 1 594 . 2 . 2 46 46 GLU CB C 13 28.428 0.024 . 1 . . 2945 . B 152 GLU CB . 36452 1 595 . 2 . 2 46 46 GLU CG C 13 35.754 0.003 . 1 . . 3550 . B 152 GLU CG . 36452 1 596 . 2 . 2 46 46 GLU N N 15 119.159 0.049 . 1 . . 2580 . B 152 GLU N . 36452 1 597 . 2 . 2 47 47 ARG H H 1 7.724 0.007 . 1 . . 2701 . B 153 ARG H . 36452 1 598 . 2 . 2 47 47 ARG HA H 1 4.165 0.003 . 1 . . 3100 . B 153 ARG HA . 36452 1 599 . 2 . 2 47 47 ARG HB2 H 1 1.548 0.003 . 2 . . 3101 . B 153 ARG HB2 . 36452 1 600 . 2 . 2 47 47 ARG HB3 H 1 1.721 0.002 . 2 . . 3102 . B 153 ARG HB3 . 36452 1 601 . 2 . 2 47 47 ARG HG2 H 1 1.543 0.001 . 1 . . 3553 . B 153 ARG HG2 . 36452 1 602 . 2 . 2 47 47 ARG HD2 H 1 3.042 . . 2 . . 3555 . B 153 ARG HD2 . 36452 1 603 . 2 . 2 47 47 ARG HD3 H 1 3.133 . . 2 . . 3557 . B 153 ARG HD3 . 36452 1 604 . 2 . 2 47 47 ARG HE H 1 6.768 0.022 . 1 . . 2577 . B 153 ARG HE . 36452 1 605 . 2 . 2 47 47 ARG C C 13 175.092 . . 1 . . 3255 . B 153 ARG C . 36452 1 606 . 2 . 2 47 47 ARG CA C 13 56.452 0.146 . 1 . . 2946 . B 153 ARG CA . 36452 1 607 . 2 . 2 47 47 ARG CB C 13 31.269 0.012 . 1 . . 2947 . B 153 ARG CB . 36452 1 608 . 2 . 2 47 47 ARG CG C 13 27.586 0.008 . 1 . . 3554 . B 153 ARG CG . 36452 1 609 . 2 . 2 47 47 ARG CD C 13 43.814 0.015 . 1 . . 3556 . B 153 ARG CD . 36452 1 610 . 2 . 2 47 47 ARG N N 15 117.266 0.068 . 1 . . 2702 . B 153 ARG N . 36452 1 611 . 2 . 2 47 47 ARG NE N 15 82.73 . . 1 . . 3835 . B 153 ARG NE . 36452 1 612 . 2 . 2 48 48 GLY H H 1 7.770 0.004 . 1 . . 2569 . B 154 GLY H . 36452 1 613 . 2 . 2 48 48 GLY HA2 H 1 3.681 . . 2 . . 3418 . B 154 GLY HA2 . 36452 1 614 . 2 . 2 48 48 GLY HA3 H 1 4.122 . . 2 . . 3419 . B 154 GLY HA3 . 36452 1 615 . 2 . 2 48 48 GLY CA C 13 43.389 0.006 . 1 . . 2943 . B 154 GLY CA . 36452 1 616 . 2 . 2 48 48 GLY N N 15 106.327 0.027 . 1 . . 2570 . B 154 GLY N . 36452 1 617 . 2 . 2 49 49 SER H H 1 8.224 0.201 . 1 . . 2723 . B 155 SER H . 36452 1 618 . 2 . 2 49 49 SER HA H 1 3.664 . . 1 . . 3420 . B 155 SER HA . 36452 1 619 . 2 . 2 49 49 SER HB2 H 1 3.787 . . 2 . . 3506 . B 155 SER HB2 . 36452 1 620 . 2 . 2 49 49 SER HB3 H 1 3.929 . . 2 . . 3507 . B 155 SER HB3 . 36452 1 621 . 2 . 2 49 49 SER C C 13 177.738 . . 1 . . 3256 . B 155 SER C . 36452 1 622 . 2 . 2 49 49 SER CA C 13 58.476 0.081 . 1 . . 2856 . B 155 SER CA . 36452 1 623 . 2 . 2 49 49 SER CB C 13 63.875 0.099 . 1 . . 2857 . B 155 SER CB . 36452 1 624 . 2 . 2 49 49 SER N N 15 115.683 0.414 . 1 . . 2724 . B 155 SER N . 36452 1 625 . 2 . 2 50 50 LYS H H 1 9.320 0.005 . 1 . . 2631 . B 156 LYS H . 36452 1 626 . 2 . 2 50 50 LYS HA H 1 4.031 0.0 . 1 . . 3103 . B 156 LYS HA . 36452 1 627 . 2 . 2 50 50 LYS HB2 H 1 1.010 . . 2 . . 3558 . B 156 LYS HB2 . 36452 1 628 . 2 . 2 50 50 LYS HB3 H 1 1.796 . . 2 . . 3559 . B 156 LYS HB3 . 36452 1 629 . 2 . 2 50 50 LYS HG2 H 1 0.756 . . 2 . . 3560 . B 156 LYS HG2 . 36452 1 630 . 2 . 2 50 50 LYS HG3 H 1 1.322 . . 2 . . 3562 . B 156 LYS HG3 . 36452 1 631 . 2 . 2 50 50 LYS HD2 H 1 1.646 . . 1 . . 3882 . B 156 LYS HD2 . 36452 1 632 . 2 . 2 50 50 LYS HE2 H 1 2.957 . . 2 . . 3563 . B 156 LYS HE2 . 36452 1 633 . 2 . 2 50 50 LYS HE3 H 1 2.429 . . 2 . . 3564 . B 156 LYS HE3 . 36452 1 634 . 2 . 2 50 50 LYS C C 13 178.282 . . 1 . . 3257 . B 156 LYS C . 36452 1 635 . 2 . 2 50 50 LYS CA C 13 57.866 0.046 . 1 . . 2854 . B 156 LYS CA . 36452 1 636 . 2 . 2 50 50 LYS CB C 13 30.796 0.057 . 1 . . 2855 . B 156 LYS CB . 36452 1 637 . 2 . 2 50 50 LYS CG C 13 26.845 0.006 . 1 . . 3561 . B 156 LYS CG . 36452 1 638 . 2 . 2 50 50 LYS CD C 13 29.087 . . 1 . . 3883 . B 156 LYS CD . 36452 1 639 . 2 . 2 50 50 LYS CE C 13 41.779 0.028 . 1 . . 3565 . B 156 LYS CE . 36452 1 640 . 2 . 2 50 50 LYS N N 15 123.591 0.063 . 1 . . 2632 . B 156 LYS N . 36452 1 641 . 2 . 2 51 51 GLY H H 1 9.546 0.006 . 1 . . 2695 . B 157 GLY H . 36452 1 642 . 2 . 2 51 51 GLY HA2 H 1 3.328 0.0 . 2 . . 3104 . B 157 GLY HA2 . 36452 1 643 . 2 . 2 51 51 GLY HA3 H 1 4.670 . . 2 . . 3421 . B 157 GLY HA3 . 36452 1 644 . 2 . 2 51 51 GLY C C 13 173.343 . . 1 . . 3258 . B 157 GLY C . 36452 1 645 . 2 . 2 51 51 GLY CA C 13 46.542 0.052 . 1 . . 2853 . B 157 GLY CA . 36452 1 646 . 2 . 2 51 51 GLY N N 15 107.078 0.04 . 1 . . 2696 . B 157 GLY N . 36452 1 647 . 2 . 2 52 52 PHE H H 1 7.351 0.004 . 1 . . 2641 . B 158 PHE H . 36452 1 648 . 2 . 2 52 52 PHE HA H 1 5.308 0.012 . 1 . . 3105 . B 158 PHE HA . 36452 1 649 . 2 . 2 52 52 PHE HB2 H 1 3.214 . . 2 . . 3422 . B 158 PHE HB2 . 36452 1 650 . 2 . 2 52 52 PHE HB3 H 1 3.507 . . 2 . . 3423 . B 158 PHE HB3 . 36452 1 651 . 2 . 2 52 52 PHE HZ H 1 7.465 . . 1 . . 3635 . B 158 PHE HZ . 36452 1 652 . 2 . 2 52 52 PHE C C 13 171.372 . . 1 . . 3259 . B 158 PHE C . 36452 1 653 . 2 . 2 52 52 PHE CA C 13 55.263 0.031 . 1 . . 2953 . B 158 PHE CA . 36452 1 654 . 2 . 2 52 52 PHE CB C 13 42.069 0.058 . 1 . . 2954 . B 158 PHE CB . 36452 1 655 . 2 . 2 52 52 PHE CZ C 13 129.346 . . 1 . . 3636 . B 158 PHE CZ . 36452 1 656 . 2 . 2 52 52 PHE N N 15 113.068 0.041 . 1 . . 2642 . B 158 PHE N . 36452 1 657 . 2 . 2 53 53 GLY H H 1 8.826 0.004 . 1 . . 2609 . B 159 GLY H . 36452 1 658 . 2 . 2 53 53 GLY HA2 H 1 4.006 0.017 . 2 . . 3106 . B 159 GLY HA2 . 36452 1 659 . 2 . 2 53 53 GLY HA3 H 1 4.100 0.018 . 2 . . 3107 . B 159 GLY HA3 . 36452 1 660 . 2 . 2 53 53 GLY C C 13 169.895 . . 1 . . 3260 . B 159 GLY C . 36452 1 661 . 2 . 2 53 53 GLY CA C 13 45.859 0.09 . 1 . . 2952 . B 159 GLY CA . 36452 1 662 . 2 . 2 53 53 GLY N N 15 105.095 0.038 . 1 . . 2610 . B 159 GLY N . 36452 1 663 . 2 . 2 54 54 PHE H H 1 9.031 0.002 . 1 . . 2625 . B 160 PHE H . 36452 1 664 . 2 . 2 54 54 PHE HA H 1 5.729 0.021 . 1 . . 3108 . B 160 PHE HA . 36452 1 665 . 2 . 2 54 54 PHE HB2 H 1 2.563 . . 2 . . 3424 . B 160 PHE HB2 . 36452 1 666 . 2 . 2 54 54 PHE HB3 H 1 2.784 . . 2 . . 3425 . B 160 PHE HB3 . 36452 1 667 . 2 . 2 54 54 PHE HD1 H 1 6.797 . . 1 . . 3902 . B 160 PHE HD1 . 36452 1 668 . 2 . 2 54 54 PHE HD2 H 1 6.797 . . 1 . . 3902 . B 160 PHE HD2 . 36452 1 669 . 2 . 2 54 54 PHE C C 13 175.458 . . 1 . . 3261 . B 160 PHE C . 36452 1 670 . 2 . 2 54 54 PHE CA C 13 56.546 0.143 . 1 . . 2985 . B 160 PHE CA . 36452 1 671 . 2 . 2 54 54 PHE CB C 13 44.013 0.056 . 1 . . 2986 . B 160 PHE CB . 36452 1 672 . 2 . 2 54 54 PHE CD1 C 13 129.466 . . 1 . . 3901 . B 160 PHE CD1 . 36452 1 673 . 2 . 2 54 54 PHE CD2 C 13 129.466 . . 1 . . 3901 . B 160 PHE CD2 . 36452 1 674 . 2 . 2 54 54 PHE N N 15 115.917 0.027 . 1 . . 2626 . B 160 PHE N . 36452 1 675 . 2 . 2 55 55 VAL H H 1 8.807 0.006 . 1 . . 2763 . B 161 VAL H . 36452 1 676 . 2 . 2 55 55 VAL HA H 1 4.501 0.0 . 1 . . 3109 . B 161 VAL HA . 36452 1 677 . 2 . 2 55 55 VAL HB H 1 1.330 0.0 . 1 . . 3110 . B 161 VAL HB . 36452 1 678 . 2 . 2 55 55 VAL HG11 H 1 0.208 . . 2 . . 3429 . B 161 VAL HG11 . 36452 1 679 . 2 . 2 55 55 VAL HG12 H 1 0.208 . . 2 . . 3429 . B 161 VAL HG12 . 36452 1 680 . 2 . 2 55 55 VAL HG13 H 1 0.208 . . 2 . . 3429 . B 161 VAL HG13 . 36452 1 681 . 2 . 2 55 55 VAL HG21 H 1 0.288 . . 2 . . 3430 . B 161 VAL HG21 . 36452 1 682 . 2 . 2 55 55 VAL HG22 H 1 0.288 . . 2 . . 3430 . B 161 VAL HG22 . 36452 1 683 . 2 . 2 55 55 VAL HG23 H 1 0.288 . . 2 . . 3430 . B 161 VAL HG23 . 36452 1 684 . 2 . 2 55 55 VAL C C 13 174.180 . . 1 . . 3262 . B 161 VAL C . 36452 1 685 . 2 . 2 55 55 VAL CA C 13 60.887 0.075 . 1 . . 2920 . B 161 VAL CA . 36452 1 686 . 2 . 2 55 55 VAL CB C 13 35.903 0.095 . 1 . . 2919 . B 161 VAL CB . 36452 1 687 . 2 . 2 55 55 VAL CG1 C 13 20.751 . . 2 . . 3428 . B 161 VAL CG1 . 36452 1 688 . 2 . 2 55 55 VAL CG2 C 13 21.243 . . 2 . . 3431 . B 161 VAL CG2 . 36452 1 689 . 2 . 2 55 55 VAL N N 15 121.108 0.088 . 1 . . 2764 . B 161 VAL N . 36452 1 690 . 2 . 2 56 56 THR H H 1 8.904 0.005 . 1 . . 2735 . B 162 THR H . 36452 1 691 . 2 . 2 56 56 THR HA H 1 4.971 0.001 . 1 . . 3111 . B 162 THR HA . 36452 1 692 . 2 . 2 56 56 THR HB H 1 3.928 0.002 . 1 . . 3112 . B 162 THR HB . 36452 1 693 . 2 . 2 56 56 THR HG21 H 1 1.134 . . 1 . . 3566 . B 162 THR HG21 . 36452 1 694 . 2 . 2 56 56 THR HG22 H 1 1.134 . . 1 . . 3566 . B 162 THR HG22 . 36452 1 695 . 2 . 2 56 56 THR HG23 H 1 1.134 . . 1 . . 3566 . B 162 THR HG23 . 36452 1 696 . 2 . 2 56 56 THR C C 13 174.222 . . 1 . . 3263 . B 162 THR C . 36452 1 697 . 2 . 2 56 56 THR CA C 13 62.426 0.07 . 1 . . 2917 . B 162 THR CA . 36452 1 698 . 2 . 2 56 56 THR CB C 13 69.209 0.057 . 1 . . 2918 . B 162 THR CB . 36452 1 699 . 2 . 2 56 56 THR CG2 C 13 22.283 . . 1 . . 3567 . B 162 THR CG2 . 36452 1 700 . 2 . 2 56 56 THR N N 15 123.706 0.009 . 1 . . 2736 . B 162 THR N . 36452 1 701 . 2 . 2 57 57 PHE H H 1 9.191 0.004 . 1 . . 2745 . B 163 PHE H . 36452 1 702 . 2 . 2 57 57 PHE HA H 1 4.797 0.005 . 1 . . 3113 . B 163 PHE HA . 36452 1 703 . 2 . 2 57 57 PHE HB2 H 1 2.845 . . 2 . . 3432 . B 163 PHE HB2 . 36452 1 704 . 2 . 2 57 57 PHE HB3 H 1 3.704 . . 2 . . 3433 . B 163 PHE HB3 . 36452 1 705 . 2 . 2 57 57 PHE HZ H 1 7.607 . . 1 . . 3633 . B 163 PHE HZ . 36452 1 706 . 2 . 2 57 57 PHE C C 13 174.995 . . 1 . . 3264 . B 163 PHE C . 36452 1 707 . 2 . 2 57 57 PHE CA C 13 58.348 0.098 . 1 . . 2915 . B 163 PHE CA . 36452 1 708 . 2 . 2 57 57 PHE CB C 13 41.336 0.06 . 1 . . 2916 . B 163 PHE CB . 36452 1 709 . 2 . 2 57 57 PHE CZ C 13 129.558 . . 1 . . 3634 . B 163 PHE CZ . 36452 1 710 . 2 . 2 57 57 PHE N N 15 128.442 0.04 . 1 . . 2746 . B 163 PHE N . 36452 1 711 . 2 . 2 58 58 GLU H H 1 7.921 0.011 . 1 . . 2703 . B 164 GLU H . 36452 1 712 . 2 . 2 58 58 GLU HA H 1 3.878 0.004 . 1 . . 3114 . B 164 GLU HA . 36452 1 713 . 2 . 2 58 58 GLU HB2 H 1 1.794 0.007 . 2 . . 3115 . B 164 GLU HB2 . 36452 1 714 . 2 . 2 58 58 GLU HB3 H 1 2.224 . . 2 . . 3434 . B 164 GLU HB3 . 36452 1 715 . 2 . 2 58 58 GLU HG2 H 1 2.221 . . 2 . . 3436 . B 164 GLU HG2 . 36452 1 716 . 2 . 2 58 58 GLU HG3 H 1 2.277 . . 2 . . 3568 . B 164 GLU HG3 . 36452 1 717 . 2 . 2 58 58 GLU C C 13 174.590 . . 1 . . 3265 . B 164 GLU C . 36452 1 718 . 2 . 2 58 58 GLU CA C 13 59.900 0.116 . 1 . . 2913 . B 164 GLU CA . 36452 1 719 . 2 . 2 58 58 GLU CB C 13 30.590 0.039 . 1 . . 2914 . B 164 GLU CB . 36452 1 720 . 2 . 2 58 58 GLU CG C 13 36.960 0.019 . 1 . . 3435 . B 164 GLU CG . 36452 1 721 . 2 . 2 58 58 GLU N N 15 120.690 0.137 . 1 . . 2704 . B 164 GLU N . 36452 1 722 . 2 . 2 59 59 ASN H H 1 9.371 0.003 . 1 . . 2585 . B 165 ASN H . 36452 1 723 . 2 . 2 59 59 ASN HA H 1 5.081 0.0 . 1 . . 3116 . B 165 ASN HA . 36452 1 724 . 2 . 2 59 59 ASN HB2 H 1 2.834 0.002 . 2 . . 3117 . B 165 ASN HB2 . 36452 1 725 . 2 . 2 59 59 ASN HB3 H 1 2.979 0.003 . 2 . . 3118 . B 165 ASN HB3 . 36452 1 726 . 2 . 2 59 59 ASN HD21 H 1 7.145 . . 1 . . 3815 . B 165 ASN HD21 . 36452 1 727 . 2 . 2 59 59 ASN HD22 H 1 7.639 . . 1 . . 3817 . B 165 ASN HD22 . 36452 1 728 . 2 . 2 59 59 ASN C C 13 176.440 . . 1 . . 3266 . B 165 ASN C . 36452 1 729 . 2 . 2 59 59 ASN CA C 13 51.778 0.002 . 1 . . 2911 . B 165 ASN CA . 36452 1 730 . 2 . 2 59 59 ASN CB C 13 40.850 0.049 . 1 . . 2912 . B 165 ASN CB . 36452 1 731 . 2 . 2 59 59 ASN N N 15 114.130 0.041 . 1 . . 2586 . B 165 ASN N . 36452 1 732 . 2 . 2 59 59 ASN ND2 N 15 114.577 0.008 . 1 . . 3816 . B 165 ASN ND2 . 36452 1 733 . 2 . 2 60 60 SER H H 1 8.892 0.004 . 1 . . 2675 . B 166 SER H . 36452 1 734 . 2 . 2 60 60 SER HA H 1 3.982 0.0 . 1 . . 3119 . B 166 SER HA . 36452 1 735 . 2 . 2 60 60 SER HB2 H 1 3.971 . . 1 . . 3437 . B 166 SER HB2 . 36452 1 736 . 2 . 2 60 60 SER C C 13 174.968 . . 1 . . 3267 . B 166 SER C . 36452 1 737 . 2 . 2 60 60 SER CA C 13 62.148 0.037 . 1 . . 2908 . B 166 SER CA . 36452 1 738 . 2 . 2 60 60 SER CB C 13 63.359 0.146 . 1 . . 2910 . B 166 SER CB . 36452 1 739 . 2 . 2 60 60 SER N N 15 122.049 0.023 . 1 . . 2676 . B 166 SER N . 36452 1 740 . 2 . 2 61 61 ALA H H 1 8.388 0.02 . 1 . . 2699 . B 167 ALA H . 36452 1 741 . 2 . 2 61 61 ALA HA H 1 4.166 0.0 . 1 . . 3120 . B 167 ALA HA . 36452 1 742 . 2 . 2 61 61 ALA HB1 H 1 1.456 0.001 . 1 . . 3121 . B 167 ALA HB1 . 36452 1 743 . 2 . 2 61 61 ALA HB2 H 1 1.456 0.001 . 1 . . 3121 . B 167 ALA HB2 . 36452 1 744 . 2 . 2 61 61 ALA HB3 H 1 1.456 0.001 . 1 . . 3121 . B 167 ALA HB3 . 36452 1 745 . 2 . 2 61 61 ALA C C 13 180.663 . . 1 . . 3268 . B 167 ALA C . 36452 1 746 . 2 . 2 61 61 ALA CA C 13 55.245 0.044 . 1 . . 2907 . B 167 ALA CA . 36452 1 747 . 2 . 2 61 61 ALA CB C 13 18.225 0.096 . 1 . . 2906 . B 167 ALA CB . 36452 1 748 . 2 . 2 61 61 ALA N N 15 123.291 0.147 . 1 . . 2700 . B 167 ALA N . 36452 1 749 . 2 . 2 62 62 ASP H H 1 7.330 0.004 . 1 . . 2583 . B 168 ASP H . 36452 1 750 . 2 . 2 62 62 ASP HA H 1 4.346 0.004 . 1 . . 3122 . B 168 ASP HA . 36452 1 751 . 2 . 2 62 62 ASP HB2 H 1 2.981 0.001 . 2 . . 3123 . B 168 ASP HB2 . 36452 1 752 . 2 . 2 62 62 ASP HB3 H 1 2.731 . . 2 . . 3438 . B 168 ASP HB3 . 36452 1 753 . 2 . 2 62 62 ASP C C 13 176.859 . . 1 . . 3269 . B 168 ASP C . 36452 1 754 . 2 . 2 62 62 ASP CA C 13 56.912 0.079 . 1 . . 2904 . B 168 ASP CA . 36452 1 755 . 2 . 2 62 62 ASP CB C 13 40.477 0.063 . 1 . . 2905 . B 168 ASP CB . 36452 1 756 . 2 . 2 62 62 ASP N N 15 119.314 0.036 . 1 . . 2584 . B 168 ASP N . 36452 1 757 . 2 . 2 63 63 ALA H H 1 6.769 0.005 . 1 . . 2717 . B 169 ALA H . 36452 1 758 . 2 . 2 63 63 ALA HA H 1 2.841 0.004 . 1 . . 3124 . B 169 ALA HA . 36452 1 759 . 2 . 2 63 63 ALA HB1 H 1 1.309 0.004 . 1 . . 3125 . B 169 ALA HB1 . 36452 1 760 . 2 . 2 63 63 ALA HB2 H 1 1.309 0.004 . 1 . . 3125 . B 169 ALA HB2 . 36452 1 761 . 2 . 2 63 63 ALA HB3 H 1 1.309 0.004 . 1 . . 3125 . B 169 ALA HB3 . 36452 1 762 . 2 . 2 63 63 ALA C C 13 178.666 . . 1 . . 3270 . B 169 ALA C . 36452 1 763 . 2 . 2 63 63 ALA CA C 13 54.369 0.073 . 1 . . 2903 . B 169 ALA CA . 36452 1 764 . 2 . 2 63 63 ALA CB C 13 18.368 0.087 . 1 . . 2902 . B 169 ALA CB . 36452 1 765 . 2 . 2 63 63 ALA N N 15 120.890 0.111 . 1 . . 2718 . B 169 ALA N . 36452 1 766 . 2 . 2 64 64 ASP H H 1 8.006 0.004 . 1 . . 2601 . B 170 ASP H . 36452 1 767 . 2 . 2 64 64 ASP HA H 1 4.242 0.0 . 1 . . 3126 . B 170 ASP HA . 36452 1 768 . 2 . 2 64 64 ASP HB2 H 1 2.652 0.002 . 1 . . 3127 . B 170 ASP HB2 . 36452 1 769 . 2 . 2 64 64 ASP C C 13 178.818 . . 1 . . 3271 . B 170 ASP C . 36452 1 770 . 2 . 2 64 64 ASP CA C 13 57.484 0.011 . 1 . . 2900 . B 170 ASP CA . 36452 1 771 . 2 . 2 64 64 ASP CB C 13 39.838 0.043 . 1 . . 2901 . B 170 ASP CB . 36452 1 772 . 2 . 2 64 64 ASP N N 15 117.192 0.037 . 1 . . 2602 . B 170 ASP N . 36452 1 773 . 2 . 2 65 65 ARG H H 1 7.512 0.016 . 1 . . 2697 . B 171 ARG H . 36452 1 774 . 2 . 2 65 65 ARG HA H 1 3.975 0.005 . 1 . . 3128 . B 171 ARG HA . 36452 1 775 . 2 . 2 65 65 ARG HB2 H 1 1.916 0.001 . 2 . . 3129 . B 171 ARG HB2 . 36452 1 776 . 2 . 2 65 65 ARG HB3 H 1 2.059 0.001 . 2 . . 3130 . B 171 ARG HB3 . 36452 1 777 . 2 . 2 65 65 ARG HG2 H 1 1.706 . . 2 . . 3439 . B 171 ARG HG2 . 36452 1 778 . 2 . 2 65 65 ARG HG3 H 1 1.821 . . 2 . . 3441 . B 171 ARG HG3 . 36452 1 779 . 2 . 2 65 65 ARG HD2 H 1 3.363 . . 2 . . 3569 . B 171 ARG HD2 . 36452 1 780 . 2 . 2 65 65 ARG HD3 H 1 3.420 . . 2 . . 3571 . B 171 ARG HD3 . 36452 1 781 . 2 . 2 65 65 ARG C C 13 177.882 . . 1 . . 3272 . B 171 ARG C . 36452 1 782 . 2 . 2 65 65 ARG CA C 13 59.617 0.033 . 1 . . 2899 . B 171 ARG CA . 36452 1 783 . 2 . 2 65 65 ARG CB C 13 30.442 0.072 . 1 . . 2898 . B 171 ARG CB . 36452 1 784 . 2 . 2 65 65 ARG CG C 13 28.938 0.002 . 1 . . 3440 . B 171 ARG CG . 36452 1 785 . 2 . 2 65 65 ARG CD C 13 43.485 0.003 . 1 . . 3570 . B 171 ARG CD . 36452 1 786 . 2 . 2 65 65 ARG N N 15 121.018 0.129 . 1 . . 2698 . B 171 ARG N . 36452 1 787 . 2 . 2 66 66 ALA H H 1 7.810 0.003 . 1 . . 2669 . B 172 ALA H . 36452 1 788 . 2 . 2 66 66 ALA HA H 1 2.179 0.011 . 1 . . 3131 . B 172 ALA HA . 36452 1 789 . 2 . 2 66 66 ALA HB1 H 1 1.124 0.005 . 1 . . 3132 . B 172 ALA HB1 . 36452 1 790 . 2 . 2 66 66 ALA HB2 H 1 1.124 0.005 . 1 . . 3132 . B 172 ALA HB2 . 36452 1 791 . 2 . 2 66 66 ALA HB3 H 1 1.124 0.005 . 1 . . 3132 . B 172 ALA HB3 . 36452 1 792 . 2 . 2 66 66 ALA C C 13 178.898 . . 1 . . 3273 . B 172 ALA C . 36452 1 793 . 2 . 2 66 66 ALA CA C 13 54.527 0.07 . 1 . . 2897 . B 172 ALA CA . 36452 1 794 . 2 . 2 66 66 ALA CB C 13 19.595 0.131 . 1 . . 2896 . B 172 ALA CB . 36452 1 795 . 2 . 2 66 66 ALA N N 15 121.438 0.028 . 1 . . 2670 . B 172 ALA N . 36452 1 796 . 2 . 2 67 67 ARG H H 1 8.273 0.003 . 1 . . 2711 . B 173 ARG H . 36452 1 797 . 2 . 2 67 67 ARG HA H 1 3.622 0.001 . 1 . . 3133 . B 173 ARG HA . 36452 1 798 . 2 . 2 67 67 ARG HB2 H 1 1.657 0.001 . 2 . . 3134 . B 173 ARG HB2 . 36452 1 799 . 2 . 2 67 67 ARG HB3 H 1 1.960 0.0 . 2 . . 3135 . B 173 ARG HB3 . 36452 1 800 . 2 . 2 67 67 ARG HG2 H 1 1.404 . . 1 . . 3443 . B 173 ARG HG2 . 36452 1 801 . 2 . 2 67 67 ARG HD2 H 1 2.933 . . 1 . . 3572 . B 173 ARG HD2 . 36452 1 802 . 2 . 2 67 67 ARG HE H 1 7.306 . . 1 . . 2591 . B 173 ARG HE . 36452 1 803 . 2 . 2 67 67 ARG C C 13 177.668 . . 1 . . 3274 . B 173 ARG C . 36452 1 804 . 2 . 2 67 67 ARG CA C 13 60.536 0.037 . 1 . . 2894 . B 173 ARG CA . 36452 1 805 . 2 . 2 67 67 ARG CB C 13 29.721 0.041 . 1 . . 2895 . B 173 ARG CB . 36452 1 806 . 2 . 2 67 67 ARG CG C 13 27.289 . . 1 . . 3442 . B 173 ARG CG . 36452 1 807 . 2 . 2 67 67 ARG CD C 13 43.224 . . 1 . . 3573 . B 173 ARG CD . 36452 1 808 . 2 . 2 67 67 ARG N N 15 117.086 0.031 . 1 . . 2712 . B 173 ARG N . 36452 1 809 . 2 . 2 67 67 ARG NE N 15 84.12 . . 1 . . 3889 . B 173 ARG NE . 36452 1 810 . 2 . 2 68 68 GLU H H 1 7.722 0.007 . 1 . . 2671 . B 174 GLU H . 36452 1 811 . 2 . 2 68 68 GLU HA H 1 3.943 0.004 . 1 . . 3136 . B 174 GLU HA . 36452 1 812 . 2 . 2 68 68 GLU HB2 H 1 2.067 0.0 . 1 . . 3137 . B 174 GLU HB2 . 36452 1 813 . 2 . 2 68 68 GLU HG2 H 1 2.298 . . 2 . . 3444 . B 174 GLU HG2 . 36452 1 814 . 2 . 2 68 68 GLU HG3 H 1 2.383 . . 2 . . 3446 . B 174 GLU HG3 . 36452 1 815 . 2 . 2 68 68 GLU C C 13 178.927 . . 1 . . 3275 . B 174 GLU C . 36452 1 816 . 2 . 2 68 68 GLU CA C 13 59.014 0.005 . 1 . . 2893 . B 174 GLU CA . 36452 1 817 . 2 . 2 68 68 GLU CB C 13 29.528 0.005 . 1 . . 2892 . B 174 GLU CB . 36452 1 818 . 2 . 2 68 68 GLU CG C 13 35.864 0.038 . 1 . . 3445 . B 174 GLU CG . 36452 1 819 . 2 . 2 68 68 GLU N N 15 116.218 0.12 . 1 . . 2672 . B 174 GLU N . 36452 1 820 . 2 . 2 69 69 LYS H H 1 7.725 0.004 . 1 . . 2607 . B 175 LYS H . 36452 1 821 . 2 . 2 69 69 LYS HA H 1 4.236 0.001 . 1 . . 3138 . B 175 LYS HA . 36452 1 822 . 2 . 2 69 69 LYS HB2 H 1 1.756 0.007 . 1 . . 3139 . B 175 LYS HB2 . 36452 1 823 . 2 . 2 69 69 LYS HG2 H 1 1.522 . . 2 . . 3574 . B 175 LYS HG2 . 36452 1 824 . 2 . 2 69 69 LYS HG3 H 1 1.634 . . 2 . . 3576 . B 175 LYS HG3 . 36452 1 825 . 2 . 2 69 69 LYS HD2 H 1 1.737 . . 1 . . 3577 . B 175 LYS HD2 . 36452 1 826 . 2 . 2 69 69 LYS HE2 H 1 3.049 . . 1 . . 3580 . B 175 LYS HE2 . 36452 1 827 . 2 . 2 69 69 LYS C C 13 178.418 . . 1 . . 3276 . B 175 LYS C . 36452 1 828 . 2 . 2 69 69 LYS CA C 13 56.843 0.039 . 1 . . 2885 . B 175 LYS CA . 36452 1 829 . 2 . 2 69 69 LYS CB C 13 32.723 0.051 . 1 . . 2886 . B 175 LYS CB . 36452 1 830 . 2 . 2 69 69 LYS CG C 13 24.953 . . 1 . . 3575 . B 175 LYS CG . 36452 1 831 . 2 . 2 69 69 LYS CD C 13 28.183 . . 1 . . 3578 . B 175 LYS CD . 36452 1 832 . 2 . 2 69 69 LYS CE C 13 42.290 . . 1 . . 3579 . B 175 LYS CE . 36452 1 833 . 2 . 2 69 69 LYS N N 15 115.535 0.017 . 1 . . 2608 . B 175 LYS N . 36452 1 834 . 2 . 2 70 70 LEU H H 1 8.216 0.004 . 1 . . 2685 . B 176 LEU H . 36452 1 835 . 2 . 2 70 70 LEU HA H 1 4.430 0.001 . 1 . . 3140 . B 176 LEU HA . 36452 1 836 . 2 . 2 70 70 LEU HB2 H 1 1.053 . . 2 . . 3447 . B 176 LEU HB2 . 36452 1 837 . 2 . 2 70 70 LEU HB3 H 1 1.714 . . 2 . . 3448 . B 176 LEU HB3 . 36452 1 838 . 2 . 2 70 70 LEU HG H 1 1.437 . . 1 . . 3449 . B 176 LEU HG . 36452 1 839 . 2 . 2 70 70 LEU HD11 H 1 0.106 . . 2 . . 3451 . B 176 LEU HD11 . 36452 1 840 . 2 . 2 70 70 LEU HD12 H 1 0.106 . . 2 . . 3451 . B 176 LEU HD12 . 36452 1 841 . 2 . 2 70 70 LEU HD13 H 1 0.106 . . 2 . . 3451 . B 176 LEU HD13 . 36452 1 842 . 2 . 2 70 70 LEU HD21 H 1 0.761 . . 2 . . 3453 . B 176 LEU HD21 . 36452 1 843 . 2 . 2 70 70 LEU HD22 H 1 0.761 . . 2 . . 3453 . B 176 LEU HD22 . 36452 1 844 . 2 . 2 70 70 LEU HD23 H 1 0.761 . . 2 . . 3453 . B 176 LEU HD23 . 36452 1 845 . 2 . 2 70 70 LEU C C 13 179.230 . . 1 . . 3277 . B 176 LEU C . 36452 1 846 . 2 . 2 70 70 LEU CA C 13 55.351 0.078 . 1 . . 2883 . B 176 LEU CA . 36452 1 847 . 2 . 2 70 70 LEU CB C 13 43.955 0.035 . 1 . . 2884 . B 176 LEU CB . 36452 1 848 . 2 . 2 70 70 LEU CG C 13 26.818 . . 1 . . 3450 . B 176 LEU CG . 36452 1 849 . 2 . 2 70 70 LEU CD1 C 13 26.202 . . 2 . . 3452 . B 176 LEU CD1 . 36452 1 850 . 2 . 2 70 70 LEU CD2 C 13 22.449 . . 2 . . 3454 . B 176 LEU CD2 . 36452 1 851 . 2 . 2 70 70 LEU N N 15 115.182 0.046 . 1 . . 2686 . B 176 LEU N . 36452 1 852 . 2 . 2 71 71 HIS H H 1 8.112 0.003 . 1 . . 2661 . B 177 HIS H . 36452 1 853 . 2 . 2 71 71 HIS HA H 1 4.155 0.002 . 1 . . 3141 . B 177 HIS HA . 36452 1 854 . 2 . 2 71 71 HIS HB2 H 1 3.159 0.011 . 2 . . 3142 . B 177 HIS HB2 . 36452 1 855 . 2 . 2 71 71 HIS HB3 H 1 3.440 0.035 . 2 . . 3143 . B 177 HIS HB3 . 36452 1 856 . 2 . 2 71 71 HIS HD2 H 1 6.981 . . 1 . . 3629 . B 177 HIS HD2 . 36452 1 857 . 2 . 2 71 71 HIS HE1 H 1 7.791 . . 1 . . 3631 . B 177 HIS HE1 . 36452 1 858 . 2 . 2 71 71 HIS C C 13 177.107 . . 1 . . 3278 . B 177 HIS C . 36452 1 859 . 2 . 2 71 71 HIS CA C 13 60.590 0.027 . 1 . . 2887 . B 177 HIS CA . 36452 1 860 . 2 . 2 71 71 HIS CB C 13 30.701 0.066 . 1 . . 2891 . B 177 HIS CB . 36452 1 861 . 2 . 2 71 71 HIS CD2 C 13 117.966 . . 1 . . 3630 . B 177 HIS CD2 . 36452 1 862 . 2 . 2 71 71 HIS CE1 C 13 138.260 . . 1 . . 3632 . B 177 HIS CE1 . 36452 1 863 . 2 . 2 71 71 HIS N N 15 120.535 0.057 . 1 . . 2662 . B 177 HIS N . 36452 1 864 . 2 . 2 72 72 GLY H H 1 8.047 0.002 . 1 . . 2888 . B 178 GLY H . 36452 1 865 . 2 . 2 72 72 GLY HA2 H 1 3.304 0.007 . 2 . . 3144 . B 178 GLY HA2 . 36452 1 866 . 2 . 2 72 72 GLY HA3 H 1 3.877 0.002 . 2 . . 3145 . B 178 GLY HA3 . 36452 1 867 . 2 . 2 72 72 GLY C C 13 174.087 . . 1 . . 3279 . B 178 GLY C . 36452 1 868 . 2 . 2 72 72 GLY CA C 13 45.581 0.005 . 1 . . 2890 . B 178 GLY CA . 36452 1 869 . 2 . 2 72 72 GLY N N 15 115.744 0.034 . 1 . . 2889 . B 178 GLY N . 36452 1 870 . 2 . 2 73 73 THR H H 1 7.561 0.0 . 1 . . 2877 . B 179 THR H . 36452 1 871 . 2 . 2 73 73 THR HA H 1 4.252 . . 1 . . 3581 . B 179 THR HA . 36452 1 872 . 2 . 2 73 73 THR HB H 1 4.102 . . 1 . . 3455 . B 179 THR HB . 36452 1 873 . 2 . 2 73 73 THR HG21 H 1 1.216 . . 1 . . 3582 . B 179 THR HG21 . 36452 1 874 . 2 . 2 73 73 THR HG22 H 1 1.216 . . 1 . . 3582 . B 179 THR HG22 . 36452 1 875 . 2 . 2 73 73 THR HG23 H 1 1.216 . . 1 . . 3582 . B 179 THR HG23 . 36452 1 876 . 2 . 2 73 73 THR C C 13 172.346 . . 1 . . 3280 . B 179 THR C . 36452 1 877 . 2 . 2 73 73 THR CA C 13 62.297 0.046 . 1 . . 2879 . B 179 THR CA . 36452 1 878 . 2 . 2 73 73 THR CB C 13 70.804 0.183 . 1 . . 2880 . B 179 THR CB . 36452 1 879 . 2 . 2 73 73 THR CG2 C 13 22.313 . . 1 . . 3583 . B 179 THR CG2 . 36452 1 880 . 2 . 2 73 73 THR N N 15 112.876 0.0 . 1 . . 2878 . B 179 THR N . 36452 1 881 . 2 . 2 74 74 VAL H H 1 8.284 0.0 . 1 . . 2881 . B 180 VAL H . 36452 1 882 . 2 . 2 74 74 VAL HA H 1 4.503 0.001 . 1 . . 3146 . B 180 VAL HA . 36452 1 883 . 2 . 2 74 74 VAL HB H 1 1.825 0.0 . 1 . . 3147 . B 180 VAL HB . 36452 1 884 . 2 . 2 74 74 VAL HG11 H 1 0.590 . . 2 . . 3456 . B 180 VAL HG11 . 36452 1 885 . 2 . 2 74 74 VAL HG12 H 1 0.590 . . 2 . . 3456 . B 180 VAL HG12 . 36452 1 886 . 2 . 2 74 74 VAL HG13 H 1 0.590 . . 2 . . 3456 . B 180 VAL HG13 . 36452 1 887 . 2 . 2 74 74 VAL HG21 H 1 0.769 . . 2 . . 3458 . B 180 VAL HG21 . 36452 1 888 . 2 . 2 74 74 VAL HG22 H 1 0.769 . . 2 . . 3458 . B 180 VAL HG22 . 36452 1 889 . 2 . 2 74 74 VAL HG23 H 1 0.769 . . 2 . . 3458 . B 180 VAL HG23 . 36452 1 890 . 2 . 2 74 74 VAL C C 13 176.423 . . 1 . . 3281 . B 180 VAL C . 36452 1 891 . 2 . 2 74 74 VAL CA C 13 62.132 0.117 . 1 . . 2876 . B 180 VAL CA . 36452 1 892 . 2 . 2 74 74 VAL CB C 13 31.764 0.087 . 1 . . 2875 . B 180 VAL CB . 36452 1 893 . 2 . 2 74 74 VAL CG1 C 13 21.197 . . 2 . . 3457 . B 180 VAL CG1 . 36452 1 894 . 2 . 2 74 74 VAL CG2 C 13 21.564 . . 2 . . 3459 . B 180 VAL CG2 . 36452 1 895 . 2 . 2 74 74 VAL N N 15 121.310 0.166 . 1 . . 2882 . B 180 VAL N . 36452 1 896 . 2 . 2 75 75 VAL H H 1 9.127 0.004 . 1 . . 2613 . B 181 VAL H . 36452 1 897 . 2 . 2 75 75 VAL HA H 1 4.181 0.003 . 1 . . 3148 . B 181 VAL HA . 36452 1 898 . 2 . 2 75 75 VAL HB H 1 1.799 0.0 . 1 . . 3149 . B 181 VAL HB . 36452 1 899 . 2 . 2 75 75 VAL HG11 H 1 0.873 . . 1 . . 3460 . B 181 VAL HG11 . 36452 1 900 . 2 . 2 75 75 VAL HG12 H 1 0.873 . . 1 . . 3460 . B 181 VAL HG12 . 36452 1 901 . 2 . 2 75 75 VAL HG13 H 1 0.873 . . 1 . . 3460 . B 181 VAL HG13 . 36452 1 902 . 2 . 2 75 75 VAL C C 13 174.528 . . 1 . . 3282 . B 181 VAL C . 36452 1 903 . 2 . 2 75 75 VAL CA C 13 61.322 0.085 . 1 . . 2873 . B 181 VAL CA . 36452 1 904 . 2 . 2 75 75 VAL CB C 13 34.180 0.074 . 1 . . 2874 . B 181 VAL CB . 36452 1 905 . 2 . 2 75 75 VAL CG1 C 13 21.622 . . 1 . . 3461 . B 181 VAL CG1 . 36452 1 906 . 2 . 2 75 75 VAL N N 15 129.979 0.031 . 1 . . 2614 . B 181 VAL N . 36452 1 907 . 2 . 2 76 76 GLU H H 1 9.314 0.004 . 1 . . 2567 . B 182 GLU H . 36452 1 908 . 2 . 2 76 76 GLU HA H 1 3.735 0.002 . 1 . . 3150 . B 182 GLU HA . 36452 1 909 . 2 . 2 76 76 GLU HB2 H 1 1.822 0.001 . 2 . . 3151 . B 182 GLU HB2 . 36452 1 910 . 2 . 2 76 76 GLU HB3 H 1 2.112 0.003 . 2 . . 3152 . B 182 GLU HB3 . 36452 1 911 . 2 . 2 76 76 GLU HG2 H 1 2.305 . . 1 . . 3462 . B 182 GLU HG2 . 36452 1 912 . 2 . 2 76 76 GLU C C 13 176.710 . . 1 . . 3283 . B 182 GLU C . 36452 1 913 . 2 . 2 76 76 GLU CA C 13 57.117 0.016 . 1 . . 2871 . B 182 GLU CA . 36452 1 914 . 2 . 2 76 76 GLU CB C 13 27.047 0.077 . 1 . . 2872 . B 182 GLU CB . 36452 1 915 . 2 . 2 76 76 GLU CG C 13 36.851 . . 1 . . 3463 . B 182 GLU CG . 36452 1 916 . 2 . 2 76 76 GLU N N 15 125.815 0.034 . 1 . . 2568 . B 182 GLU N . 36452 1 917 . 2 . 2 77 77 GLY H H 1 8.032 0.004 . 1 . . 2545 . B 183 GLY H . 36452 1 918 . 2 . 2 77 77 GLY HA2 H 1 4.050 0.003 . 2 . . 3153 . B 183 GLY HA2 . 36452 1 919 . 2 . 2 77 77 GLY HA3 H 1 3.375 0.009 . 2 . . 3154 . B 183 GLY HA3 . 36452 1 920 . 2 . 2 77 77 GLY C C 13 173.820 . . 1 . . 3284 . B 183 GLY C . 36452 1 921 . 2 . 2 77 77 GLY CA C 13 45.345 0.043 . 1 . . 2870 . B 183 GLY CA . 36452 1 922 . 2 . 2 77 77 GLY N N 15 102.096 0.031 . 1 . . 2546 . B 183 GLY N . 36452 1 923 . 2 . 2 78 78 ARG H H 1 7.856 0.003 . 1 . . 2689 . B 184 ARG H . 36452 1 924 . 2 . 2 78 78 ARG HA H 1 4.318 0.0 . 1 . . 3156 . B 184 ARG HA . 36452 1 925 . 2 . 2 78 78 ARG HB2 H 1 1.652 0.011 . 1 . . 3155 . B 184 ARG HB2 . 36452 1 926 . 2 . 2 78 78 ARG HG2 H 1 1.101 . . 2 . . 3584 . B 184 ARG HG2 . 36452 1 927 . 2 . 2 78 78 ARG HG3 H 1 1.367 . . 2 . . 3887 . B 184 ARG HG3 . 36452 1 928 . 2 . 2 78 78 ARG HD2 H 1 2.251 . . 2 . . 3586 . B 184 ARG HD2 . 36452 1 929 . 2 . 2 78 78 ARG HD3 H 1 2.854 . . 2 . . 3588 . B 184 ARG HD3 . 36452 1 930 . 2 . 2 78 78 ARG HE H 1 5.918 0.0 . 1 . . 2755 . B 184 ARG HE . 36452 1 931 . 2 . 2 78 78 ARG C C 13 173.864 . . 1 . . 3285 . B 184 ARG C . 36452 1 932 . 2 . 2 78 78 ARG CA C 13 55.108 0.049 . 1 . . 2930 . B 184 ARG CA . 36452 1 933 . 2 . 2 78 78 ARG CB C 13 31.519 0.124 . 1 . . 2929 . B 184 ARG CB . 36452 1 934 . 2 . 2 78 78 ARG CG C 13 27.252 0.044 . 1 . . 3585 . B 184 ARG CG . 36452 1 935 . 2 . 2 78 78 ARG CD C 13 41.898 0.021 . 1 . . 3587 . B 184 ARG CD . 36452 1 936 . 2 . 2 78 78 ARG N N 15 120.725 0.043 . 1 . . 2690 . B 184 ARG N . 36452 1 937 . 2 . 2 78 78 ARG NE N 15 79.39 0.017 . 1 . . 3005 . B 184 ARG NE . 36452 1 938 . 2 . 2 79 79 LYS H H 1 8.443 0.004 . 1 . . 2771 . B 185 LYS H . 36452 1 939 . 2 . 2 79 79 LYS HA H 1 4.417 0.0 . 1 . . 3157 . B 185 LYS HA . 36452 1 940 . 2 . 2 79 79 LYS HB2 H 1 1.438 0.004 . 2 . . 3158 . B 185 LYS HB2 . 36452 1 941 . 2 . 2 79 79 LYS HB3 H 1 1.581 0.003 . 2 . . 3159 . B 185 LYS HB3 . 36452 1 942 . 2 . 2 79 79 LYS HG2 H 1 1.044 . . 2 . . 3464 . B 185 LYS HG2 . 36452 1 943 . 2 . 2 79 79 LYS HG3 H 1 1.099 . . 2 . . 3589 . B 185 LYS HG3 . 36452 1 944 . 2 . 2 79 79 LYS HD2 H 1 1.533 . . 1 . . 3466 . B 185 LYS HD2 . 36452 1 945 . 2 . 2 79 79 LYS HE2 H 1 2.851 . . 1 . . 3468 . B 185 LYS HE2 . 36452 1 946 . 2 . 2 79 79 LYS C C 13 176.645 . . 1 . . 3286 . B 185 LYS C . 36452 1 947 . 2 . 2 79 79 LYS CA C 13 56.115 0.113 . 1 . . 2928 . B 185 LYS CA . 36452 1 948 . 2 . 2 79 79 LYS CB C 13 32.106 0.08 . 1 . . 2927 . B 185 LYS CB . 36452 1 949 . 2 . 2 79 79 LYS CG C 13 24.570 0.003 . 1 . . 3465 . B 185 LYS CG . 36452 1 950 . 2 . 2 79 79 LYS CD C 13 29.467 . . 1 . . 3467 . B 185 LYS CD . 36452 1 951 . 2 . 2 79 79 LYS CE C 13 41.641 . . 1 . . 3469 . B 185 LYS CE . 36452 1 952 . 2 . 2 79 79 LYS N N 15 124.002 0.029 . 1 . . 2772 . B 185 LYS N . 36452 1 953 . 2 . 2 80 80 ILE H H 1 8.922 0.004 . 1 . . 2575 . B 186 ILE H . 36452 1 954 . 2 . 2 80 80 ILE HA H 1 4.487 0.002 . 1 . . 3160 . B 186 ILE HA . 36452 1 955 . 2 . 2 80 80 ILE HB H 1 1.850 0.001 . 1 . . 3161 . B 186 ILE HB . 36452 1 956 . 2 . 2 80 80 ILE HG12 H 1 1.221 . . 2 . . 3470 . B 186 ILE HG12 . 36452 1 957 . 2 . 2 80 80 ILE HG13 H 1 1.467 . . 2 . . 3472 . B 186 ILE HG13 . 36452 1 958 . 2 . 2 80 80 ILE HG21 H 1 0.721 . . 1 . . 3473 . B 186 ILE HG21 . 36452 1 959 . 2 . 2 80 80 ILE HG22 H 1 0.721 . . 1 . . 3473 . B 186 ILE HG22 . 36452 1 960 . 2 . 2 80 80 ILE HG23 H 1 0.721 . . 1 . . 3473 . B 186 ILE HG23 . 36452 1 961 . 2 . 2 80 80 ILE HD11 H 1 0.586 . . 1 . . 3475 . B 186 ILE HD11 . 36452 1 962 . 2 . 2 80 80 ILE HD12 H 1 0.586 . . 1 . . 3475 . B 186 ILE HD12 . 36452 1 963 . 2 . 2 80 80 ILE HD13 H 1 0.586 . . 1 . . 3475 . B 186 ILE HD13 . 36452 1 964 . 2 . 2 80 80 ILE C C 13 175.595 . . 1 . . 3287 . B 186 ILE C . 36452 1 965 . 2 . 2 80 80 ILE CA C 13 61.271 0.023 . 1 . . 2926 . B 186 ILE CA . 36452 1 966 . 2 . 2 80 80 ILE CB C 13 39.157 0.162 . 1 . . 2925 . B 186 ILE CB . 36452 1 967 . 2 . 2 80 80 ILE CG1 C 13 26.002 0.004 . 1 . . 3471 . B 186 ILE CG1 . 36452 1 968 . 2 . 2 80 80 ILE CG2 C 13 18.075 . . 1 . . 3474 . B 186 ILE CG2 . 36452 1 969 . 2 . 2 80 80 ILE CD1 C 13 14.007 . . 1 . . 3476 . B 186 ILE CD1 . 36452 1 970 . 2 . 2 80 80 ILE N N 15 126.725 0.034 . 1 . . 2576 . B 186 ILE N . 36452 1 971 . 2 . 2 81 81 GLU H H 1 8.005 0.004 . 1 . . 2649 . B 187 GLU H . 36452 1 972 . 2 . 2 81 81 GLU HA H 1 5.104 0.006 . 1 . . 3162 . B 187 GLU HA . 36452 1 973 . 2 . 2 81 81 GLU HB2 H 1 1.677 0.001 . 2 . . 3163 . B 187 GLU HB2 . 36452 1 974 . 2 . 2 81 81 GLU HB3 H 1 1.906 0.0 . 2 . . 3164 . B 187 GLU HB3 . 36452 1 975 . 2 . 2 81 81 GLU HG2 H 1 2.070 . . 1 . . 3477 . B 187 GLU HG2 . 36452 1 976 . 2 . 2 81 81 GLU C C 13 175.653 . . 1 . . 3288 . B 187 GLU C . 36452 1 977 . 2 . 2 81 81 GLU CA C 13 53.612 0.018 . 1 . . 2921 . B 187 GLU CA . 36452 1 978 . 2 . 2 81 81 GLU CB C 13 32.293 0.033 . 1 . . 2922 . B 187 GLU CB . 36452 1 979 . 2 . 2 81 81 GLU CG C 13 35.583 . . 1 . . 3478 . B 187 GLU CG . 36452 1 980 . 2 . 2 81 81 GLU N N 15 122.140 0.042 . 1 . . 2650 . B 187 GLU N . 36452 1 981 . 2 . 2 82 82 VAL H H 1 11.383 0.024 . 1 . . 2571 . B 188 VAL H . 36452 1 982 . 2 . 2 82 82 VAL HA H 1 5.016 0.0 . 1 . . 3165 . B 188 VAL HA . 36452 1 983 . 2 . 2 82 82 VAL HB H 1 2.162 0.002 . 1 . . 3166 . B 188 VAL HB . 36452 1 984 . 2 . 2 82 82 VAL HG11 H 1 1.010 . . 2 . . 3479 . B 188 VAL HG11 . 36452 1 985 . 2 . 2 82 82 VAL HG12 H 1 1.010 . . 2 . . 3479 . B 188 VAL HG12 . 36452 1 986 . 2 . 2 82 82 VAL HG13 H 1 1.010 . . 2 . . 3479 . B 188 VAL HG13 . 36452 1 987 . 2 . 2 82 82 VAL HG21 H 1 1.032 . . 2 . . 3481 . B 188 VAL HG21 . 36452 1 988 . 2 . 2 82 82 VAL HG22 H 1 1.032 . . 2 . . 3481 . B 188 VAL HG22 . 36452 1 989 . 2 . 2 82 82 VAL HG23 H 1 1.032 . . 2 . . 3481 . B 188 VAL HG23 . 36452 1 990 . 2 . 2 82 82 VAL C C 13 173.098 . . 1 . . 3289 . B 188 VAL C . 36452 1 991 . 2 . 2 82 82 VAL CA C 13 61.794 0.222 . 1 . . 2923 . B 188 VAL CA . 36452 1 992 . 2 . 2 82 82 VAL CB C 13 34.050 0.031 . 1 . . 2924 . B 188 VAL CB . 36452 1 993 . 2 . 2 82 82 VAL CG1 C 13 21.947 . . 2 . . 3480 . B 188 VAL CG1 . 36452 1 994 . 2 . 2 82 82 VAL CG2 C 13 24.777 . . 2 . . 3482 . B 188 VAL CG2 . 36452 1 995 . 2 . 2 82 82 VAL N N 15 127.102 0.061 . 1 . . 2572 . B 188 VAL N . 36452 1 996 . 2 . 2 83 83 ASN H H 1 9.532 0.018 . 1 . . 2749 . B 189 ASN H . 36452 1 997 . 2 . 2 83 83 ASN HA H 1 4.940 0.002 . 1 . . 3167 . B 189 ASN HA . 36452 1 998 . 2 . 2 83 83 ASN HB2 H 1 2.782 0.0 . 2 . . 3168 . B 189 ASN HB2 . 36452 1 999 . 2 . 2 83 83 ASN HB3 H 1 3.015 0.001 . 2 . . 3169 . B 189 ASN HB3 . 36452 1 1000 . 2 . 2 83 83 ASN C C 13 175.405 . . 1 . . 3290 . B 189 ASN C . 36452 1 1001 . 2 . 2 83 83 ASN CA C 13 51.147 0.018 . 1 . . 2933 . B 189 ASN CA . 36452 1 1002 . 2 . 2 83 83 ASN CB C 13 43.589 0.121 . 1 . . 2932 . B 189 ASN CB . 36452 1 1003 . 2 . 2 83 83 ASN N N 15 123.803 0.1 . 1 . . 2750 . B 189 ASN N . 36452 1 1004 . 2 . 2 84 84 ASN H H 1 8.942 0.006 . 1 . . 2551 . B 190 ASN H . 36452 1 1005 . 2 . 2 84 84 ASN HA H 1 4.876 . . 1 . . 3483 . B 190 ASN HA . 36452 1 1006 . 2 . 2 84 84 ASN HB2 H 1 2.703 0.03 . 2 . . 3170 . B 190 ASN HB2 . 36452 1 1007 . 2 . 2 84 84 ASN HB3 H 1 2.898 . . 2 . . 3484 . B 190 ASN HB3 . 36452 1 1008 . 2 . 2 84 84 ASN HD21 H 1 6.842 . . 1 . . 3812 . B 190 ASN HD21 . 36452 1 1009 . 2 . 2 84 84 ASN HD22 H 1 7.563 . . 1 . . 3814 . B 190 ASN HD22 . 36452 1 1010 . 2 . 2 84 84 ASN C C 13 175.957 . . 1 . . 3291 . B 190 ASN C . 36452 1 1011 . 2 . 2 84 84 ASN CA C 13 55.191 0.003 . 1 . . 2935 . B 190 ASN CA . 36452 1 1012 . 2 . 2 84 84 ASN CB C 13 38.613 0.023 . 1 . . 2934 . B 190 ASN CB . 36452 1 1013 . 2 . 2 84 84 ASN N N 15 118.785 0.065 . 1 . . 2552 . B 190 ASN N . 36452 1 1014 . 2 . 2 84 84 ASN ND2 N 15 111.450 0.01 . 1 . . 3813 . B 190 ASN ND2 . 36452 1 1015 . 2 . 2 85 85 ALA H H 1 8.369 0.017 . 1 . . 2691 . B 191 ALA H . 36452 1 1016 . 2 . 2 85 85 ALA HA H 1 5.173 0.007 . 1 . . 3171 . B 191 ALA HA . 36452 1 1017 . 2 . 2 85 85 ALA HB1 H 1 1.485 0.007 . 1 . . 3172 . B 191 ALA HB1 . 36452 1 1018 . 2 . 2 85 85 ALA HB2 H 1 1.485 0.007 . 1 . . 3172 . B 191 ALA HB2 . 36452 1 1019 . 2 . 2 85 85 ALA HB3 H 1 1.485 0.007 . 1 . . 3172 . B 191 ALA HB3 . 36452 1 1020 . 2 . 2 85 85 ALA C C 13 177.596 . . 1 . . 3292 . B 191 ALA C . 36452 1 1021 . 2 . 2 85 85 ALA CA C 13 51.654 0.063 . 1 . . 2937 . B 191 ALA CA . 36452 1 1022 . 2 . 2 85 85 ALA CB C 13 19.809 0.057 . 1 . . 2936 . B 191 ALA CB . 36452 1 1023 . 2 . 2 85 85 ALA N N 15 124.893 0.058 . 1 . . 2692 . B 191 ALA N . 36452 1 1024 . 2 . 2 86 86 THR H H 1 8.428 0.007 . 1 . . 2721 . B 192 THR H . 36452 1 1025 . 2 . 2 86 86 THR HA H 1 4.232 0.008 . 1 . . 3174 . B 192 THR HA . 36452 1 1026 . 2 . 2 86 86 THR HB H 1 4.120 0.0 . 1 . . 3173 . B 192 THR HB . 36452 1 1027 . 2 . 2 86 86 THR HG21 H 1 1.138 . . 1 . . 3590 . B 192 THR HG21 . 36452 1 1028 . 2 . 2 86 86 THR HG22 H 1 1.138 . . 1 . . 3590 . B 192 THR HG22 . 36452 1 1029 . 2 . 2 86 86 THR HG23 H 1 1.138 . . 1 . . 3590 . B 192 THR HG23 . 36452 1 1030 . 2 . 2 86 86 THR C C 13 173.844 . . 1 . . 3293 . B 192 THR C . 36452 1 1031 . 2 . 2 86 86 THR CA C 13 61.942 0.029 . 1 . . 2987 . B 192 THR CA . 36452 1 1032 . 2 . 2 86 86 THR CB C 13 69.975 0.035 . 1 . . 2938 . B 192 THR CB . 36452 1 1033 . 2 . 2 86 86 THR CG2 C 13 22.132 . . 1 . . 3591 . B 192 THR CG2 . 36452 1 1034 . 2 . 2 86 86 THR N N 15 118.029 0.06 . 1 . . 2722 . B 192 THR N . 36452 1 1035 . 2 . 2 87 87 ALA H H 1 8.478 0.003 . 1 . . 2667 . B 193 ALA H . 36452 1 1036 . 2 . 2 87 87 ALA HA H 1 4.237 0.029 . 1 . . 3175 . B 193 ALA HA . 36452 1 1037 . 2 . 2 87 87 ALA HB1 H 1 1.328 0.001 . 1 . . 3176 . B 193 ALA HB1 . 36452 1 1038 . 2 . 2 87 87 ALA HB2 H 1 1.328 0.001 . 1 . . 3176 . B 193 ALA HB2 . 36452 1 1039 . 2 . 2 87 87 ALA HB3 H 1 1.328 0.001 . 1 . . 3176 . B 193 ALA HB3 . 36452 1 1040 . 2 . 2 87 87 ALA C C 13 177.239 . . 1 . . 3294 . B 193 ALA C . 36452 1 1041 . 2 . 2 87 87 ALA CA C 13 52.573 0.142 . 1 . . 2939 . B 193 ALA CA . 36452 1 1042 . 2 . 2 87 87 ALA CB C 13 18.988 0.007 . 1 . . 2940 . B 193 ALA CB . 36452 1 1043 . 2 . 2 87 87 ALA N N 15 126.971 0.023 . 1 . . 2668 . B 193 ALA N . 36452 1 1044 . 2 . 2 88 88 ARG H H 1 8.186 0.03 . 1 . . 2791 . B 194 ARG H . 36452 1 1045 . 2 . 2 88 88 ARG HA H 1 4.189 . . 1 . . 3601 . B 194 ARG HA . 36452 1 1046 . 2 . 2 88 88 ARG HB2 H 1 1.479 . . 2 . . 3603 . B 194 ARG HB2 . 36452 1 1047 . 2 . 2 88 88 ARG HB3 H 1 1.591 . . 2 . . 3605 . B 194 ARG HB3 . 36452 1 1048 . 2 . 2 88 88 ARG HG2 H 1 1.342 . . 1 . . 3606 . B 194 ARG HG2 . 36452 1 1049 . 2 . 2 88 88 ARG HD2 H 1 2.815 . . 1 . . 3608 . B 194 ARG HD2 . 36452 1 1050 . 2 . 2 88 88 ARG HE H 1 6.954 . . 1 . . 2643 . B 194 ARG HE . 36452 1 1051 . 2 . 2 88 88 ARG CA C 13 55.812 . . 1 . . 3602 . B 194 ARG CA . 36452 1 1052 . 2 . 2 88 88 ARG CB C 13 31.212 0.011 . 1 . . 3604 . B 194 ARG CB . 36452 1 1053 . 2 . 2 88 88 ARG CG C 13 26.910 . . 1 . . 3607 . B 194 ARG CG . 36452 1 1054 . 2 . 2 88 88 ARG CD C 13 43.392 . . 1 . . 3609 . B 194 ARG CD . 36452 1 1055 . 2 . 2 88 88 ARG N N 15 121.742 0.077 . 1 . . 2792 . B 194 ARG N . 36452 1 1056 . 2 . 2 88 88 ARG NE N 15 84.50 . . 1 . . 3834 . B 194 ARG NE . 36452 1 1057 . 2 . 2 89 89 VAL HA H 1 3.976 0.003 . 1 . . 3177 . B 195 VAL HA . 36452 1 1058 . 2 . 2 89 89 VAL HB H 1 1.920 0.004 . 1 . . 3178 . B 195 VAL HB . 36452 1 1059 . 2 . 2 89 89 VAL HG11 H 1 0.819 . . 1 . . 3592 . B 195 VAL HG11 . 36452 1 1060 . 2 . 2 89 89 VAL HG12 H 1 0.819 . . 1 . . 3592 . B 195 VAL HG12 . 36452 1 1061 . 2 . 2 89 89 VAL HG13 H 1 0.819 . . 1 . . 3592 . B 195 VAL HG13 . 36452 1 1062 . 2 . 2 89 89 VAL C C 13 176.071 . . 1 . . 3295 . B 195 VAL C . 36452 1 1063 . 2 . 2 89 89 VAL CA C 13 62.426 0.021 . 1 . . 2941 . B 195 VAL CA . 36452 1 1064 . 2 . 2 89 89 VAL CB C 13 32.597 0.1 . 1 . . 2942 . B 195 VAL CB . 36452 1 1065 . 2 . 2 90 90 MET H H 1 8.497 0.004 . 1 . . 2563 . B 196 MET H . 36452 1 1066 . 2 . 2 90 90 MET HA H 1 4.521 0.005 . 1 . . 3179 . B 196 MET HA . 36452 1 1067 . 2 . 2 90 90 MET HB2 H 1 2.015 0.005 . 2 . . 3180 . B 196 MET HB2 . 36452 1 1068 . 2 . 2 90 90 MET HB3 H 1 1.939 . . 2 . . 3485 . B 196 MET HB3 . 36452 1 1069 . 2 . 2 90 90 MET HG2 H 1 2.410 . . 2 . . 3594 . B 196 MET HG2 . 36452 1 1070 . 2 . 2 90 90 MET HG3 H 1 2.506 . . 2 . . 3596 . B 196 MET HG3 . 36452 1 1071 . 2 . 2 90 90 MET HE1 H 1 1.969 0.007 . 1 . . 3810 . B 196 MET HE1 . 36452 1 1072 . 2 . 2 90 90 MET HE2 H 1 1.969 0.007 . 1 . . 3810 . B 196 MET HE2 . 36452 1 1073 . 2 . 2 90 90 MET HE3 H 1 1.969 0.007 . 1 . . 3810 . B 196 MET HE3 . 36452 1 1074 . 2 . 2 90 90 MET C C 13 176.208 . . 1 . . 3296 . B 196 MET C . 36452 1 1075 . 2 . 2 90 90 MET CA C 13 55.169 0.0 . 1 . . 2988 . B 196 MET CA . 36452 1 1076 . 2 . 2 90 90 MET CB C 13 32.720 0.081 . 1 . . 2989 . B 196 MET CB . 36452 1 1077 . 2 . 2 90 90 MET CG C 13 32.096 0.006 . 1 . . 3595 . B 196 MET CG . 36452 1 1078 . 2 . 2 90 90 MET CE C 13 17.037 0.051 . 1 . . 3811 . B 196 MET CE . 36452 1 1079 . 2 . 2 90 90 MET N N 15 124.972 0.019 . 1 . . 2564 . B 196 MET N . 36452 1 1080 . 2 . 2 91 91 THR H H 1 8.072 0.021 . 1 . . 2593 . B 197 THR H . 36452 1 1081 . 2 . 2 91 91 THR HA H 1 4.288 0.009 . 1 . . 3182 . B 197 THR HA . 36452 1 1082 . 2 . 2 91 91 THR HB H 1 4.167 0.003 . 1 . . 3181 . B 197 THR HB . 36452 1 1083 . 2 . 2 91 91 THR C C 13 174.065 . . 1 . . 3297 . B 197 THR C . 36452 1 1084 . 2 . 2 91 91 THR CA C 13 62.164 0.022 . 1 . . 2990 . B 197 THR CA . 36452 1 1085 . 2 . 2 91 91 THR CB C 13 69.952 0.035 . 1 . . 2991 . B 197 THR CB . 36452 1 1086 . 2 . 2 91 91 THR N N 15 115.379 0.111 . 1 . . 2594 . B 197 THR N . 36452 1 1087 . 2 . 2 92 92 ASN H H 1 8.421 0.009 . 1 . . 2733 . B 198 ASN H . 36452 1 1088 . 2 . 2 92 92 ASN C C 13 175.019 . . 1 . . 3298 . B 198 ASN C . 36452 1 1089 . 2 . 2 92 92 ASN CA C 13 53.319 . . 1 . . 2993 . B 198 ASN CA . 36452 1 1090 . 2 . 2 92 92 ASN CB C 13 38.808 . . 1 . . 2992 . B 198 ASN CB . 36452 1 1091 . 2 . 2 92 92 ASN N N 15 121.083 0.074 . 1 . . 2734 . B 198 ASN N . 36452 1 1092 . 2 . 2 93 93 LYS H H 1 8.247 0.006 . 1 . . 2665 . B 199 LYS H . 36452 1 1093 . 2 . 2 93 93 LYS HA H 1 4.278 0.0 . 1 . . 3185 . B 199 LYS HA . 36452 1 1094 . 2 . 2 93 93 LYS HB2 H 1 1.710 0.004 . 2 . . 3183 . B 199 LYS HB2 . 36452 1 1095 . 2 . 2 93 93 LYS HB3 H 1 1.807 . . 2 . . 3184 . B 199 LYS HB3 . 36452 1 1096 . 2 . 2 93 93 LYS HG2 H 1 1.366 . . 1 . . 3597 . B 199 LYS HG2 . 36452 1 1097 . 2 . 2 93 93 LYS C C 13 176.355 . . 1 . . 3299 . B 199 LYS C . 36452 1 1098 . 2 . 2 93 93 LYS CA C 13 56.696 0.001 . 1 . . 2994 . B 199 LYS CA . 36452 1 1099 . 2 . 2 93 93 LYS CB C 13 33.027 0.065 . 1 . . 2995 . B 199 LYS CB . 36452 1 1100 . 2 . 2 93 93 LYS CG C 13 24.867 . . 1 . . 3598 . B 199 LYS CG . 36452 1 1101 . 2 . 2 93 93 LYS N N 15 121.889 0.044 . 1 . . 2666 . B 199 LYS N . 36452 1 1102 . 2 . 2 94 94 LYS H H 1 8.330 0.016 . 1 . . 2761 . B 200 LYS H . 36452 1 1103 . 2 . 2 94 94 LYS HA H 1 4.348 . . 1 . . 3186 . B 200 LYS HA . 36452 1 1104 . 2 . 2 94 94 LYS HB2 H 1 1.777 . . 1 . . 3187 . B 200 LYS HB2 . 36452 1 1105 . 2 . 2 94 94 LYS C C 13 176.626 . . 1 . . 3300 . B 200 LYS C . 36452 1 1106 . 2 . 2 94 94 LYS CA C 13 56.665 . . 1 . . 2996 . B 200 LYS CA . 36452 1 1107 . 2 . 2 94 94 LYS CB C 13 32.984 . . 1 . . 2997 . B 200 LYS CB . 36452 1 1108 . 2 . 2 94 94 LYS N N 15 122.752 0.08 . 1 . . 2762 . B 200 LYS N . 36452 1 1109 . 2 . 2 95 95 THR H H 1 8.163 0.006 . 1 . . 2681 . B 201 THR H . 36452 1 1110 . 2 . 2 95 95 THR HA H 1 4.324 . . 1 . . 3189 . B 201 THR HA . 36452 1 1111 . 2 . 2 95 95 THR HB H 1 4.135 . . 1 . . 3188 . B 201 THR HB . 36452 1 1112 . 2 . 2 95 95 THR C C 13 174.225 . . 1 . . 3301 . B 201 THR C . 36452 1 1113 . 2 . 2 95 95 THR CA C 13 62.140 . . 1 . . 2858 . B 201 THR CA . 36452 1 1114 . 2 . 2 95 95 THR CB C 13 69.947 . . 1 . . 2859 . B 201 THR CB . 36452 1 1115 . 2 . 2 95 95 THR N N 15 116.536 0.061 . 1 . . 2682 . B 201 THR N . 36452 1 1116 . 2 . 2 96 96 VAL H H 1 8.170 0.003 . 1 . . 2747 . B 202 VAL H . 36452 1 1117 . 2 . 2 96 96 VAL HA H 1 4.085 0.006 . 1 . . 3190 . B 202 VAL HA . 36452 1 1118 . 2 . 2 96 96 VAL HB H 1 2.005 0.001 . 1 . . 3191 . B 202 VAL HB . 36452 1 1119 . 2 . 2 96 96 VAL HG11 H 1 0.865 . . 1 . . 3486 . B 202 VAL HG11 . 36452 1 1120 . 2 . 2 96 96 VAL HG12 H 1 0.865 . . 1 . . 3486 . B 202 VAL HG12 . 36452 1 1121 . 2 . 2 96 96 VAL HG13 H 1 0.865 . . 1 . . 3486 . B 202 VAL HG13 . 36452 1 1122 . 2 . 2 96 96 VAL C C 13 175.344 . . 1 . . 3302 . B 202 VAL C . 36452 1 1123 . 2 . 2 96 96 VAL CA C 13 62.195 0.123 . 1 . . 2861 . B 202 VAL CA . 36452 1 1124 . 2 . 2 96 96 VAL CB C 13 32.926 0.12 . 1 . . 2860 . B 202 VAL CB . 36452 1 1125 . 2 . 2 96 96 VAL CG1 C 13 21.113 . . 1 . . 3487 . B 202 VAL CG1 . 36452 1 1126 . 2 . 2 96 96 VAL N N 15 122.809 0.032 . 1 . . 2748 . B 202 VAL N . 36452 1 1127 . 2 . 2 97 97 ASN H H 1 8.519 0.003 . 1 . . 2781 . B 203 ASN H . 36452 1 1128 . 2 . 2 97 97 ASN HA H 1 4.929 . . 1 . . 3508 . B 203 ASN HA . 36452 1 1129 . 2 . 2 97 97 ASN HB2 H 1 2.670 . . 2 . . 3488 . B 203 ASN HB2 . 36452 1 1130 . 2 . 2 97 97 ASN HB3 H 1 2.850 . . 2 . . 3489 . B 203 ASN HB3 . 36452 1 1131 . 2 . 2 97 97 ASN CA C 13 51.174 0.017 . 1 . . 2862 . B 203 ASN CA . 36452 1 1132 . 2 . 2 97 97 ASN CB C 13 39.047 0.049 . 1 . . 2863 . B 203 ASN CB . 36452 1 1133 . 2 . 2 97 97 ASN N N 15 123.995 0.029 . 1 . . 2782 . B 203 ASN N . 36452 1 1134 . 2 . 2 98 98 PRO HA H 1 4.345 0.0 . 1 . . 3192 . B 204 PRO HA . 36452 1 1135 . 2 . 2 98 98 PRO HB2 H 1 1.656 0.002 . 2 . . 3193 . B 204 PRO HB2 . 36452 1 1136 . 2 . 2 98 98 PRO HB3 H 1 2.130 0.001 . 2 . . 3194 . B 204 PRO HB3 . 36452 1 1137 . 2 . 2 98 98 PRO HG2 H 1 1.668 . . 2 . . 3490 . B 204 PRO HG2 . 36452 1 1138 . 2 . 2 98 98 PRO HG3 H 1 1.886 . . 2 . . 3492 . B 204 PRO HG3 . 36452 1 1139 . 2 . 2 98 98 PRO HD2 H 1 3.655 . . 2 . . 3493 . B 204 PRO HD2 . 36452 1 1140 . 2 . 2 98 98 PRO HD3 H 1 3.765 . . 2 . . 3495 . B 204 PRO HD3 . 36452 1 1141 . 2 . 2 98 98 PRO C C 13 176.583 . . 1 . . 3303 . B 204 PRO C . 36452 1 1142 . 2 . 2 98 98 PRO CA C 13 63.614 0.114 . 1 . . 2864 . B 204 PRO CA . 36452 1 1143 . 2 . 2 98 98 PRO CB C 13 32.067 0.07 . 1 . . 2865 . B 204 PRO CB . 36452 1 1144 . 2 . 2 98 98 PRO CG C 13 26.991 0.003 . 1 . . 3491 . B 204 PRO CG . 36452 1 1145 . 2 . 2 98 98 PRO CD C 13 50.856 0.0 . 1 . . 3494 . B 204 PRO CD . 36452 1 1146 . 2 . 2 99 99 TYR H H 1 8.112 0.003 . 1 . . 2603 . B 205 TYR H . 36452 1 1147 . 2 . 2 99 99 TYR HA H 1 4.605 0.0 . 1 . . 3195 . B 205 TYR HA . 36452 1 1148 . 2 . 2 99 99 TYR HB2 H 1 2.951 0.001 . 2 . . 3196 . B 205 TYR HB2 . 36452 1 1149 . 2 . 2 99 99 TYR HB3 H 1 3.088 0.005 . 2 . . 3197 . B 205 TYR HB3 . 36452 1 1150 . 2 . 2 99 99 TYR HD1 H 1 7.108 . . 1 . . 3626 . B 205 TYR HD1 . 36452 1 1151 . 2 . 2 99 99 TYR HD2 H 1 7.108 . . 1 . . 3626 . B 205 TYR HD2 . 36452 1 1152 . 2 . 2 99 99 TYR HE1 H 1 6.793 . . 1 . . 3627 . B 205 TYR HE1 . 36452 1 1153 . 2 . 2 99 99 TYR HE2 H 1 6.793 . . 1 . . 3627 . B 205 TYR HE2 . 36452 1 1154 . 2 . 2 99 99 TYR C C 13 176.100 . . 1 . . 3304 . B 205 TYR C . 36452 1 1155 . 2 . 2 99 99 TYR CA C 13 58.139 0.128 . 1 . . 2866 . B 205 TYR CA . 36452 1 1156 . 2 . 2 99 99 TYR CB C 13 38.394 0.087 . 1 . . 2867 . B 205 TYR CB . 36452 1 1157 . 2 . 2 99 99 TYR CD1 C 13 133.114 . . 1 . . 3625 . B 205 TYR CD1 . 36452 1 1158 . 2 . 2 99 99 TYR CD2 C 13 133.114 . . 1 . . 3625 . B 205 TYR CD2 . 36452 1 1159 . 2 . 2 99 99 TYR CE1 C 13 118.199 . . 1 . . 3628 . B 205 TYR CE1 . 36452 1 1160 . 2 . 2 99 99 TYR CE2 C 13 118.199 . . 1 . . 3628 . B 205 TYR CE2 . 36452 1 1161 . 2 . 2 99 99 TYR N N 15 119.315 0.025 . 1 . . 2604 . B 205 TYR N . 36452 1 1162 . 2 . 2 100 100 THR H H 1 7.859 0.003 . 1 . . 2719 . B 206 THR H . 36452 1 1163 . 2 . 2 100 100 THR HA H 1 4.317 0.0 . 1 . . 3198 . B 206 THR HA . 36452 1 1164 . 2 . 2 100 100 THR HB H 1 4.177 0.0 . 1 . . 3199 . B 206 THR HB . 36452 1 1165 . 2 . 2 100 100 THR C C 13 173.897 . . 1 . . 3305 . B 206 THR C . 36452 1 1166 . 2 . 2 100 100 THR CA C 13 61.846 0.18 . 1 . . 2868 . B 206 THR CA . 36452 1 1167 . 2 . 2 100 100 THR CB C 13 70.102 0.053 . 1 . . 2869 . B 206 THR CB . 36452 1 1168 . 2 . 2 100 100 THR N N 15 115.040 0.03 . 1 . . 2720 . B 206 THR N . 36452 1 1169 . 2 . 2 101 101 ASN H H 1 8.318 0.003 . 1 . . 2777 . B 207 ASN H . 36452 1 1170 . 2 . 2 101 101 ASN HA H 1 4.729 0.002 . 1 . . 3200 . B 207 ASN HA . 36452 1 1171 . 2 . 2 101 101 ASN HB2 H 1 2.703 0.001 . 2 . . 3201 . B 207 ASN HB2 . 36452 1 1172 . 2 . 2 101 101 ASN HB3 H 1 2.842 0.001 . 2 . . 3202 . B 207 ASN HB3 . 36452 1 1173 . 2 . 2 101 101 ASN HD21 H 1 6.889 . . 1 . . 3822 . B 207 ASN HD21 . 36452 1 1174 . 2 . 2 101 101 ASN HD22 H 1 7.597 . . 1 . . 3824 . B 207 ASN HD22 . 36452 1 1175 . 2 . 2 101 101 ASN C C 13 174.448 . . 1 . . 3306 . B 207 ASN C . 36452 1 1176 . 2 . 2 101 101 ASN CA C 13 53.456 0.009 . 1 . . 3002 . B 207 ASN CA . 36452 1 1177 . 2 . 2 101 101 ASN CB C 13 39.445 0.004 . 1 . . 3003 . B 207 ASN CB . 36452 1 1178 . 2 . 2 101 101 ASN N N 15 121.284 0.026 . 1 . . 2778 . B 207 ASN N . 36452 1 1179 . 2 . 2 101 101 ASN ND2 N 15 112.684 0.023 . 1 . . 3823 . B 207 ASN ND2 . 36452 1 1180 . 2 . 2 102 102 GLY H H 1 7.990 0.006 . 1 . . 2999 . B 208 GLY H . 36452 1 1181 . 2 . 2 102 102 GLY HA2 H 1 3.740 . . 1 . . 3496 . B 208 GLY HA2 . 36452 1 1182 . 2 . 2 102 102 GLY CA C 13 46.267 0.004 . 1 . . 3004 . B 208 GLY CA . 36452 1 1183 . 2 . 2 102 102 GLY N N 15 115.453 0.034 . 1 . . 3000 . B 208 GLY N . 36452 1 stop_ save_