data_17161 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Rna14p/Rna15p heterodimer ; _BMRB_accession_number 17161 _BMRB_flat_file_name bmr17161.str _Entry_type original _Submission_date 2010-08-31 _Accession_date 2010-08-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Complex of Rna14p(626-677) and Rna15p(127-232) co-expressed in E. coli' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mackereth Cameron D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 979 "13C chemical shifts" 744 "15N chemical shifts" 166 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-24 update BMRB 'update entry citation' 2010-10-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Chemical shift assignments of a minimal Rna14p/Rna15p heterodimer from the yeast cleavage factor IA complex.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20967574 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mackereth Cameron D. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 93 _Page_last 95 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rna14p/Rna15p _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rna14p $Rna14p Rna15p $Rna15p stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Rna14p _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rna14p _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'mRNA 3'-end-processing' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 53 _Mol_residue_sequence ; MKRDSELPTEVLDLLSVIPK RQYFNTNLLDAQKLVNFLND QVEIPTVESTKSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 625 MET 2 626 LYS 3 627 ARG 4 628 ASP 5 629 SER 6 630 GLU 7 631 LEU 8 632 PRO 9 633 THR 10 634 GLU 11 635 VAL 12 636 LEU 13 637 ASP 14 638 LEU 15 639 LEU 16 640 SER 17 641 VAL 18 642 ILE 19 643 PRO 20 644 LYS 21 645 ARG 22 646 GLN 23 647 TYR 24 648 PHE 25 649 ASN 26 650 THR 27 651 ASN 28 652 LEU 29 653 LEU 30 654 ASP 31 655 ALA 32 656 GLN 33 657 LYS 34 658 LEU 35 659 VAL 36 660 ASN 37 661 PHE 38 662 LEU 39 663 ASN 40 664 ASP 41 665 GLN 42 666 VAL 43 667 GLU 44 668 ILE 45 669 PRO 46 670 THR 47 671 VAL 48 672 GLU 49 673 SER 50 674 THR 51 675 LYS 52 676 SER 53 677 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-21 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2L9B "Heterodimer Between Rna14p Monkeytail Domain And Rna15p Hinge Domain Of The Yeast Cf Ia Complex" 100.00 53 100.00 100.00 1.73e-28 DBJ GAA25502 "K7_Rna14p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 677 98.11 98.11 5.99e-25 EMBL CAA89771 "Rna14p [Saccharomyces cerevisiae]" 100.00 677 98.11 98.11 5.99e-25 EMBL CAY81879 "Rna14p [Saccharomyces cerevisiae EC1118]" 100.00 677 98.11 98.11 5.99e-25 GB AAA21300 "RNA14 protein [Saccharomyces cerevisiae]" 100.00 677 98.11 98.11 5.99e-25 GB AHY76517 "Rna14p [Saccharomyces cerevisiae YJM993]" 100.00 677 98.11 98.11 5.99e-25 GB AJP40760 "Rna14p [Saccharomyces cerevisiae YJM1078]" 100.00 677 98.11 98.11 5.99e-25 GB AJS61929 "Rna14p [Saccharomyces cerevisiae YJM189]" 100.00 677 98.11 98.11 5.99e-25 GB AJS62366 "Rna14p [Saccharomyces cerevisiae YJM193]" 100.00 677 98.11 98.11 5.99e-25 REF NP_013777 "cleavage polyadenylation factor subunit RNA14 [Saccharomyces cerevisiae S288c]" 100.00 677 98.11 98.11 5.99e-25 SP P25298 "RecName: Full=mRNA 3'-end-processing protein RNA14" 100.00 677 98.11 98.11 5.99e-25 TPG DAA09959 "TPA: cleavage polyadenylation factor subunit RNA14 [Saccharomyces cerevisiae S288c]" 100.00 677 98.11 98.11 5.99e-25 stop_ save_ save_Rna15p _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rna15p _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'mRNA 3'-end-processing' stop_ _Details . _Residue_count 109 _Mol_residue_sequence ; GHMSNGPDFQNSGNANFLSQ KFPELPSGIDVNINMTTPAM MISSELAKKPKEVQLKFLQK FQEWTRAHPEDAASLLELCP QLSFVTAELLLTNGICKVDD LIPLASRPQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 124 GLY 2 125 HIS 3 126 MET 4 127 SER 5 128 ASN 6 129 GLY 7 130 PRO 8 131 ASP 9 132 PHE 10 133 GLN 11 134 ASN 12 135 SER 13 136 GLY 14 137 ASN 15 138 ALA 16 139 ASN 17 140 PHE 18 141 LEU 19 142 SER 20 143 GLN 21 144 LYS 22 145 PHE 23 146 PRO 24 147 GLU 25 148 LEU 26 149 PRO 27 150 SER 28 151 GLY 29 152 ILE 30 153 ASP 31 154 VAL 32 155 ASN 33 156 ILE 34 157 ASN 35 158 MET 36 159 THR 37 160 THR 38 161 PRO 39 162 ALA 40 163 MET 41 164 MET 42 165 ILE 43 166 SER 44 167 SER 45 168 GLU 46 169 LEU 47 170 ALA 48 171 LYS 49 172 LYS 50 173 PRO 51 174 LYS 52 175 GLU 53 176 VAL 54 177 GLN 55 178 LEU 56 179 LYS 57 180 PHE 58 181 LEU 59 182 GLN 60 183 LYS 61 184 PHE 62 185 GLN 63 186 GLU 64 187 TRP 65 188 THR 66 189 ARG 67 190 ALA 68 191 HIS 69 192 PRO 70 193 GLU 71 194 ASP 72 195 ALA 73 196 ALA 74 197 SER 75 198 LEU 76 199 LEU 77 200 GLU 78 201 LEU 79 202 CYS 80 203 PRO 81 204 GLN 82 205 LEU 83 206 SER 84 207 PHE 85 208 VAL 86 209 THR 87 210 ALA 88 211 GLU 89 212 LEU 90 213 LEU 91 214 LEU 92 215 THR 93 216 ASN 94 217 GLY 95 218 ILE 96 219 CYS 97 220 LYS 98 221 VAL 99 222 ASP 100 223 ASP 101 224 LEU 102 225 ILE 103 226 PRO 104 227 LEU 105 228 ALA 106 229 SER 107 230 ARG 108 231 PRO 109 232 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2L9B "Heterodimer Between Rna14p Monkeytail Domain And Rna15p Hinge Domain Of The Yeast Cf Ia Complex" 100.00 109 100.00 100.00 3.53e-73 DBJ GAA23344 "K7_Rna15p [Saccharomyces cerevisiae Kyokai no. 7]" 97.25 296 99.06 99.06 2.60e-68 EMBL CAA96746 "RNA15 [Saccharomyces cerevisiae]" 97.25 296 99.06 99.06 2.63e-68 EMBL CAY79715 "Rna15p [Saccharomyces cerevisiae EC1118]" 97.25 295 99.06 99.06 2.91e-68 GB AAA34984 "RNA15 [Saccharomyces cerevisiae]" 97.25 296 99.06 99.06 2.63e-68 GB AHY79328 "Rna15p [Saccharomyces cerevisiae YJM993]" 97.25 296 99.06 99.06 2.63e-68 GB EDN61560 "cleavage and polyadenylation factor CF I component involved in pre-mRNA 3'-end processing [Saccharomyces cerevisiae YJM789]" 97.25 295 99.06 99.06 2.91e-68 GB EDV10275 "mRNA 3'-end processing protein RNA15 [Saccharomyces cerevisiae RM11-1a]" 97.25 295 99.06 99.06 2.91e-68 GB EDZ72171 "YGL044Cp-like protein [Saccharomyces cerevisiae AWRI1631]" 97.25 306 99.06 99.06 3.05e-68 REF NP_011471 "Rna15p [Saccharomyces cerevisiae S288c]" 97.25 296 99.06 99.06 2.63e-68 SP P25299 "RecName: Full=mRNA 3'-end-processing protein RNA15 [Saccharomyces cerevisiae S288c]" 97.25 296 99.06 99.06 2.63e-68 TPG DAA08056 "TPA: Rna15p [Saccharomyces cerevisiae S288c]" 97.25 296 99.06 99.06 2.63e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rna14p 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae $Rna15p 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $Rna14p 'recombinant technology' . Escherichia coli pLysY pCDF 'Co-expressed with Rna15p' $Rna15p 'recombinant technology' . Escherichia coli pLysY pET-MCN-His 'N-terminal His6-tag followed by TEV protease cleavage site. Co-expressed with Rna14p' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 50 mM NaCl, 2 mM DTT, pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rna14p 1.0 mM '[U-100% 13C; U-100% 15N; U-70% 2H]' $Rna15p 1.0 mM '[U-100% 13C; U-100% 15N; U-70% 2H]' 'sodium phosphate' 20 mM 'natural abundance' Nacl 50 mM 'natural abundance' DTT 25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 50 mM NaCl, 2 mM DTT, pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rna14p 0.2-1.0 mM '[U-99% 15N]' $Rna15p 0.2-1.0 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' Nacl 50 mM 'natural abundance' DTT 25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 50 mM NaCl, 2 mM DTT, pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rna14p 0.2 mM '[U-99% 15N]' $Rna15p 0.2 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' Nacl 50 mM 'natural abundance' DTT 25 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 50 mM NaCl, 2 mM DTT, pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rna14p 0.4 mM '[U-99% 13C; U-99% 15N]' $Rna15p 0.4 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' Nacl 50 mM 'natural abundance' DTT 25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 50 mM NaCl, 2 mM DTT, pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rna14p 0.4 mM '[U-99% 13C; U-99% 15N]' $Rna15p 0.4 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' Nacl 50 mM 'natural abundance' DTT 25 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 50 mM NaCl, 2 mM DTT, pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rna14p 0.5 mM '[U-100% 13C; U-100% 15N; U-100% 2H, 1H-methyl Ile(delta 1),Leu,Val]' $Rna15p 0.5 mM '[U-100% 13C; U-100% 15N; U-100% 2H, 1H-methyl Ile(delta 1),Leu,Val]' 'sodium phosphate' 20 mM 'natural abundance' Nacl 50 mM 'natural abundance' DTT 25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 50 mM NaCl, 2 mM DTT, pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rna14p 0.5 mM '[U-100% 13C; U-100% 15N; U-100% 2H, 1H-methyl Ile(delta 1),Leu,Val]' $Rna15p 0.5 mM '[U-100% 13C; U-100% 15N; U-100% 2H, 1H-methyl Ile(delta 1),Leu,Val]' 'sodium phosphate' 20 mM 'natural abundance' Nacl 50 mM 'natural abundance' DTT 25 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 50 mM NaCl, 2 mM DTT, pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rna14p 1.0 mM '[U-99% 15N];[U-99% 13C]-Leu' $Rna15p 1.0 mM '[U-99% 15N];[U-99% 13C]-Leu' 'sodium phosphate' 20 mM 'natural abundance' Nacl 50 mM 'natural abundance' DTT 25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_9 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 50 mM NaCl, 2 mM DTT, pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rna14p 1.0 mM '[U-99% 15N];[U-99% 13C]-Leu' $Rna15p 1.0 mM '[U-99% 15N];[U-99% 13C]-Leu' 'sodium phosphate' 20 mM 'natural abundance' Nacl 50 mM 'natural abundance' DTT 25 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_10 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 50 mM NaCl, 2 mM DTT, pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rna14p 1.0 mM '[U-10% 13C; U-99% 15N]' $Rna15p 1.0 mM '[U-10% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' Nacl 50 mM 'natural abundance' DTT 25 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details '5 mm PATXI 1H-13C/15N/D Z-GRD' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details '5 mm CPTXI 1H-13C/15N/D Z-GRD' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_TROSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_2 save_ save_2D_1H-15N_HMBC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HMBC' _Sample_label $sample_2 save_ save_2D_DQF-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 save_ save_2D_HBHD_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBHD' _Sample_label $sample_5 save_ save_2D_HBHE_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBHE' _Sample_label $sample_5 save_ save_3D_HCACO_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_5 save_ save_3D_HC(C)H-TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-TOCSY' _Sample_label $sample_5 save_ save_3D_(H)CCH-TOCSY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_5 save_ save_3D_C(CO)NH_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_6 save_ save_2D_1H-13C_HSQC_23 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_7 save_ save_3D_HC(C)H-TOCSY_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-TOCSY' _Sample_label $sample_7 save_ save_3D_(H)CCH-TOCSY_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_7 save_ save_2D_HNCO_26 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCO' _Sample_label $sample_8 save_ save_3D_HCACO_27 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_9 save_ save_3D_(H)CCH-TOCSY_28 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_9 save_ save_3D_HC(C)H-TOCSY_29 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-TOCSY' _Sample_label $sample_9 save_ save_2D_1H-13C_HSQC-CT_30 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC-CT' _Sample_label $sample_10 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 20 mM sodium phosphate 50 mM NaCl 2 mM dithiothreitol ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 water H 1 protons ppm 4.725 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $NMRPipe $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNHA' '3D C(CO)NH' '3D H(CCO)NH' '2D 1H-15N TROSY' '2D 1H-15N HMBC' '2D DQF-COSY' '2D 1H-13C HSQC' '2D HBHD' '2D HBHE' '3D HCACO' '3D HC(C)H-TOCSY' '3D (H)CCH-TOCSY' '2D HNCO' '2D 1H-13C HSQC-CT' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 $sample_6 $sample_7 $sample_8 $sample_9 $sample_10 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Rna14p _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 625 1 MET HA H 4.62 0.02 1 2 625 1 MET HB2 H 3.06 0.02 1 3 625 1 MET HB3 H 3.06 0.02 1 4 625 1 MET HG2 H 3.08 0.02 1 5 625 1 MET HG3 H 3.08 0.02 1 6 625 1 MET C C 175.23 0.2 1 7 625 1 MET CA C 57.34 0.2 1 8 625 1 MET CB C 39.74 0.2 1 9 626 2 LYS H H 8.2 0.02 1 10 626 2 LYS HA H 4.3 0.02 1 11 626 2 LYS HB2 H 1.78 0.02 1 12 626 2 LYS HB3 H 1.78 0.02 1 13 626 2 LYS HD2 H 1.71 0.02 1 14 626 2 LYS HD3 H 1.71 0.02 1 15 626 2 LYS HE2 H 3 0.02 1 16 626 2 LYS HE3 H 3 0.02 1 17 626 2 LYS HG2 H 1.39 0.02 1 18 626 2 LYS HG3 H 1.39 0.02 1 19 626 2 LYS C C 175.93 0.2 1 20 626 2 LYS CA C 55.91 0.2 1 21 626 2 LYS CB C 33.04 0.2 1 22 626 2 LYS CD C 29.17 0.2 1 23 626 2 LYS CE C 42.12 0.2 1 24 626 2 LYS CG C 24.53 0.2 1 25 626 2 LYS N N 123.67 0.2 1 26 627 3 ARG H H 8.4 0.02 1 27 627 3 ARG HA H 4.34 0.02 1 28 627 3 ARG HB2 H 1.89 0.02 2 29 627 3 ARG HB3 H 1.78 0.02 2 30 627 3 ARG HD2 H 3.2 0.02 1 31 627 3 ARG HD3 H 3.2 0.02 1 32 627 3 ARG HG2 H 1.67 0.02 1 33 627 3 ARG HG3 H 1.67 0.02 1 34 627 3 ARG C C 176.12 0.2 1 35 627 3 ARG CA C 56 0.2 1 36 627 3 ARG CB C 30.8 0.2 1 37 627 3 ARG CD C 43.8 0.2 1 38 627 3 ARG CG C 27.17 0.2 1 39 627 3 ARG N N 123.14 0.2 1 40 628 4 ASP H H 8.5 0.02 1 41 628 4 ASP HA H 4.64 0.02 1 42 628 4 ASP HB2 H 2.75 0.02 1 43 628 4 ASP HB3 H 2.75 0.02 1 44 628 4 ASP C C 176.29 0.2 1 45 628 4 ASP CA C 54.67 0.2 1 46 628 4 ASP CB C 41.12 0.2 1 47 628 4 ASP N N 122.08 0.2 1 48 629 5 SER H H 8.22 0.02 1 49 629 5 SER HA H 4.38 0.02 1 50 629 5 SER HB2 H 3.84 0.02 2 51 629 5 SER HB3 H 3.91 0.02 2 52 629 5 SER C C 174.61 0.2 1 53 629 5 SER CA C 58.43 0.2 1 54 629 5 SER CB C 63.94 0.2 1 55 629 5 SER N N 114.75 0.2 1 56 630 6 GLU H H 8.37 0.02 1 57 630 6 GLU HA H 4.3 0.02 1 58 630 6 GLU HB2 H 2.06 0.02 2 59 630 6 GLU HB3 H 2.18 0.02 2 60 630 6 GLU HG2 H 2.32 0.02 1 61 630 6 GLU HG3 H 2.32 0.02 1 62 630 6 GLU C C 175.97 0.2 1 63 630 6 GLU CA C 56.25 0.2 1 64 630 6 GLU CB C 30.06 0.2 1 65 630 6 GLU CG C 36.53 0.2 1 66 630 6 GLU N N 121.69 0.2 1 67 631 7 LEU H H 8.37 0.02 1 68 631 7 LEU HA H 3.37 0.02 1 69 631 7 LEU HB2 H 1.24 0.02 2 70 631 7 LEU HB3 H 0.94 0.02 2 71 631 7 LEU HD1 H 0.18 0.02 1 72 631 7 LEU HD2 H -0.07 0.02 1 73 631 7 LEU HG H 1.12 0.02 1 74 631 7 LEU C C 174.63 0.2 1 75 631 7 LEU CA C 53.15 0.2 1 76 631 7 LEU CB C 42.24 0.2 1 77 631 7 LEU CD1 C 24.74 0.2 1 78 631 7 LEU CD2 C 24.14 0.2 1 79 631 7 LEU CG C 27.05 0.2 1 80 631 7 LEU N N 124.26 0.2 1 81 632 8 PRO HA H 4.52 0.02 1 82 632 8 PRO HB2 H 2.62 0.02 2 83 632 8 PRO HB3 H 1.84 0.02 2 84 632 8 PRO HD2 H 3.53 0.02 2 85 632 8 PRO HD3 H 2.8 0.02 2 86 632 8 PRO HG2 H 2.16 0.02 2 87 632 8 PRO HG3 H 1.82 0.02 2 88 632 8 PRO C C 178.36 0.2 1 89 632 8 PRO CA C 62.49 0.2 1 90 632 8 PRO CB C 32.25 0.2 1 91 632 8 PRO CD C 50.28 0.2 1 92 632 8 PRO CG C 28.14 0.2 1 93 633 9 THR H H 8.77 0.02 1 94 633 9 THR HA H 3.73 0.02 1 95 633 9 THR HB H 4.09 0.02 1 96 633 9 THR HG2 H 1.29 0.02 1 97 633 9 THR C C 175.54 0.2 1 98 633 9 THR CA C 66.21 0.2 1 99 633 9 THR CB C 68.39 0.2 1 100 633 9 THR CG2 C 22 0.2 1 101 633 9 THR N N 121.57 0.2 1 102 634 10 GLU H H 10.19 0.02 1 103 634 10 GLU HA H 4.07 0.02 1 104 634 10 GLU HB2 H 1.87 0.02 1 105 634 10 GLU HB3 H 1.87 0.02 1 106 634 10 GLU HG2 H 2.44 0.02 1 107 634 10 GLU HG3 H 2.44 0.02 1 108 634 10 GLU C C 180.26 0.2 1 109 634 10 GLU CA C 60.79 0.2 1 110 634 10 GLU CB C 29.08 0.2 1 111 634 10 GLU CG C 37.75 0.2 1 112 634 10 GLU N N 120.25 0.2 1 113 635 11 VAL H H 7.41 0.02 1 114 635 11 VAL HA H 3.69 0.02 1 115 635 11 VAL HB H 2.01 0.02 1 116 635 11 VAL HG1 H 0.62 0.02 1 117 635 11 VAL HG2 H 0.62 0.02 1 118 635 11 VAL C C 176.53 0.2 1 119 635 11 VAL CA C 65.32 0.2 1 120 635 11 VAL CB C 31.2 0.2 1 121 635 11 VAL CG1 C 21.37 0.2 1 122 635 11 VAL CG2 C 22.58 0.2 1 123 635 11 VAL N N 116.62 0.2 1 124 636 12 LEU H H 7.01 0.02 1 125 636 12 LEU HA H 3.73 0.02 1 126 636 12 LEU HB2 H 1.93 0.02 2 127 636 12 LEU HB3 H 1.51 0.02 2 128 636 12 LEU HD1 H 0.85 0.02 1 129 636 12 LEU HD2 H 0.75 0.02 1 130 636 12 LEU HG H 1.49 0.02 1 131 636 12 LEU C C 179.12 0.2 1 132 636 12 LEU CA C 58.2 0.2 1 133 636 12 LEU CB C 40.52 0.2 1 134 636 12 LEU CD1 C 25.44 0.2 1 135 636 12 LEU CD2 C 23.56 0.2 1 136 636 12 LEU CG C 26.76 0.2 1 137 636 12 LEU N N 119.65 0.2 1 138 637 13 ASP H H 8.62 0.02 1 139 637 13 ASP HA H 4.25 0.02 1 140 637 13 ASP HB2 H 2.58 0.02 1 141 637 13 ASP HB3 H 2.58 0.02 1 142 637 13 ASP C C 179.48 0.2 1 143 637 13 ASP CA C 57 0.2 1 144 637 13 ASP CB C 40.45 0.2 1 145 637 13 ASP N N 117.87 0.2 1 146 638 14 LEU H H 7.17 0.02 1 147 638 14 LEU HA H 4.13 0.02 1 148 638 14 LEU HB2 H 1.48 0.02 2 149 638 14 LEU HB3 H 1.52 0.02 2 150 638 14 LEU HD1 H 0.44 0.02 1 151 638 14 LEU HD2 H 0.29 0.02 1 152 638 14 LEU HG H 1.36 0.02 1 153 638 14 LEU C C 178.54 0.2 1 154 638 14 LEU CA C 57.15 0.2 1 155 638 14 LEU CB C 41.39 0.2 1 156 638 14 LEU CD1 C 23.5 0.2 1 157 638 14 LEU CD2 C 25.74 0.2 1 158 638 14 LEU CG C 27.04 0.2 1 159 638 14 LEU N N 120.61 0.2 1 160 639 15 LEU H H 8.07 0.02 1 161 639 15 LEU HA H 3.83 0.02 1 162 639 15 LEU HB2 H 1.86 0.02 2 163 639 15 LEU HB3 H 1.42 0.02 2 164 639 15 LEU HD1 H 0.81 0.02 1 165 639 15 LEU HD2 H 0.86 0.02 1 166 639 15 LEU HG H 1.77 0.02 1 167 639 15 LEU C C 178.78 0.2 1 168 639 15 LEU CA C 57.3 0.2 1 169 639 15 LEU CB C 42.07 0.2 1 170 639 15 LEU CD1 C 26.89 0.2 1 171 639 15 LEU CD2 C 23.66 0.2 1 172 639 15 LEU CG C 26.88 0.2 1 173 639 15 LEU N N 116.34 0.2 1 174 640 16 SER H H 7.57 0.02 1 175 640 16 SER HA H 4.21 0.02 1 176 640 16 SER HB2 H 4.09 0.02 2 177 640 16 SER HB3 H 3.96 0.02 2 178 640 16 SER C C 175.33 0.2 1 179 640 16 SER CA C 60.81 0.2 1 180 640 16 SER CB C 63.87 0.2 1 181 640 16 SER N N 109.96 0.2 1 182 641 17 VAL H H 7.33 0.02 1 183 641 17 VAL HA H 4.55 0.02 1 184 641 17 VAL HB H 2.48 0.02 1 185 641 17 VAL HG1 H 0.85 0.02 1 186 641 17 VAL HG2 H 0.92 0.02 1 187 641 17 VAL C C 174.38 0.2 1 188 641 17 VAL CA C 60.85 0.2 1 189 641 17 VAL CB C 31.99 0.2 1 190 641 17 VAL CG1 C 21.24 0.2 1 191 641 17 VAL CG2 C 18.48 0.2 1 192 641 17 VAL N N 110.66 0.2 1 193 642 18 ILE H H 6.98 0.02 1 194 642 18 ILE HA H 5 0.02 1 195 642 18 ILE HB H 1.98 0.02 1 196 642 18 ILE HD1 H 0.54 0.02 1 197 642 18 ILE HG12 H 1.73 0.02 2 198 642 18 ILE HG13 H 1.34 0.02 2 199 642 18 ILE HG2 H 0.87 0.02 1 200 642 18 ILE C C 173.94 0.2 1 201 642 18 ILE CA C 57.98 0.2 1 202 642 18 ILE CB C 37.89 0.2 1 203 642 18 ILE CD1 C 13.51 0.2 1 204 642 18 ILE CG1 C 24.23 0.2 1 205 642 18 ILE CG2 C 16.25 0.2 1 206 642 18 ILE N N 113.89 0.2 1 207 643 19 PRO HA H 4.85 0.02 1 208 643 19 PRO HB2 H 2.12 0.02 2 209 643 19 PRO HB3 H 2.09 0.02 2 210 643 19 PRO HD2 H 3.93 0.02 2 211 643 19 PRO HD3 H 3.41 0.02 2 212 643 19 PRO HG2 H 2.02 0.02 2 213 643 19 PRO HG3 H 1.59 0.02 2 214 643 19 PRO CA C 63.2 0.2 1 215 643 19 PRO CB C 32.12 0.2 1 216 643 19 PRO CD C 51.57 0.2 1 217 643 19 PRO CG C 28.3 0.2 1 218 644 20 LYS H H 7.65 0.02 1 219 644 20 LYS HA H 4.51 0.02 1 220 644 20 LYS HB2 H 2.38 0.02 2 221 644 20 LYS HB3 H 1.77 0.02 2 222 644 20 LYS HD2 H 1.69 0.02 1 223 644 20 LYS HD3 H 1.69 0.02 1 224 644 20 LYS HE2 H 2.85 0.02 2 225 644 20 LYS HE3 H 2.71 0.02 2 226 644 20 LYS HG2 H 1.36 0.02 2 227 644 20 LYS HG3 H 1.66 0.02 2 228 644 20 LYS C C 177.13 0.2 1 229 644 20 LYS CA C 56.27 0.2 1 230 644 20 LYS CB C 35.64 0.2 1 231 644 20 LYS CD C 30.02 0.2 1 232 644 20 LYS CE C 42.36 0.2 1 233 644 20 LYS CG C 25.25 0.2 1 234 644 20 LYS N N 116.69 0.2 1 235 645 21 ARG H H 8.72 0.02 1 236 645 21 ARG HA H 4.38 0.02 1 237 645 21 ARG HB2 H 2.3 0.02 2 238 645 21 ARG HB3 H 2.22 0.02 2 239 645 21 ARG HD2 H 3.44 0.02 2 240 645 21 ARG HD3 H 3.49 0.02 2 241 645 21 ARG HG2 H 1.9 0.02 2 242 645 21 ARG HG3 H 1.71 0.02 2 243 645 21 ARG C C 178.39 0.2 1 244 645 21 ARG CA C 59.49 0.2 1 245 645 21 ARG CB C 30.35 0.2 1 246 645 21 ARG CD C 43.28 0.2 1 247 645 21 ARG CG C 26.28 0.2 1 248 645 21 ARG N N 117.97 0.2 1 249 646 22 GLN H H 8.37 0.02 1 250 646 22 GLN HA H 4.18 0.02 1 251 646 22 GLN HB2 H 1.9 0.02 1 252 646 22 GLN HB3 H 1.9 0.02 1 253 646 22 GLN HE21 H 7.17 0.02 2 254 646 22 GLN HE22 H 6.8 0.02 2 255 646 22 GLN HG2 H 1.76 0.02 2 256 646 22 GLN HG3 H 1.65 0.02 2 257 646 22 GLN C C 176.06 0.2 1 258 646 22 GLN CA C 57.68 0.2 1 259 646 22 GLN CB C 27.59 0.2 1 260 646 22 GLN CD C 179.99 0.2 1 261 646 22 GLN CG C 33 0.2 1 262 646 22 GLN N N 116.37 0.2 1 263 646 22 GLN NE2 N 111.85 0.2 1 264 647 23 TYR H H 7.54 0.02 1 265 647 23 TYR HA H 4.17 0.02 1 266 647 23 TYR HB2 H 2.72 0.02 2 267 647 23 TYR HB3 H 2.36 0.02 2 268 647 23 TYR HD1 H 7.47 0.02 1 269 647 23 TYR HD2 H 7.47 0.02 1 270 647 23 TYR HE1 H 7.07 0.02 1 271 647 23 TYR HE2 H 7.07 0.02 1 272 647 23 TYR C C 174.17 0.2 1 273 647 23 TYR CA C 59.68 0.2 1 274 647 23 TYR CB C 37.4 0.2 1 275 647 23 TYR CD1 C 133.4 0.2 1 276 647 23 TYR CD2 C 133.4 0.2 1 277 647 23 TYR CE1 C 118.61 0.2 1 278 647 23 TYR CE2 C 118.61 0.2 1 279 647 23 TYR N N 116.31 0.2 1 280 648 24 PHE H H 7.85 0.02 1 281 648 24 PHE HA H 4.68 0.02 1 282 648 24 PHE HB2 H 3.19 0.02 2 283 648 24 PHE HB3 H 2.91 0.02 2 284 648 24 PHE HD1 H 7.19 0.02 1 285 648 24 PHE HD2 H 7.19 0.02 1 286 648 24 PHE HE1 H 6.9 0.02 1 287 648 24 PHE HE2 H 6.9 0.02 1 288 648 24 PHE HZ H 6.69 0.02 1 289 648 24 PHE C C 173.83 0.2 1 290 648 24 PHE CA C 57.28 0.2 1 291 648 24 PHE CB C 39.54 0.2 1 292 648 24 PHE CD1 C 132.74 0.2 1 293 648 24 PHE CD2 C 132.74 0.2 1 294 648 24 PHE CE1 C 131 0.2 1 295 648 24 PHE CE2 C 131 0.2 1 296 648 24 PHE CZ C 128.2 0.2 1 297 648 24 PHE N N 118.82 0.2 1 298 649 25 ASN HA H 4.93 0.02 1 299 649 25 ASN HB2 H 2.89 0.02 1 300 649 25 ASN HB3 H 2.89 0.02 1 301 649 25 ASN HD21 H 7.56 0.02 2 302 649 25 ASN HD22 H 6.85 0.02 2 303 649 25 ASN C C 175.18 0.2 1 304 649 25 ASN CA C 53.33 0.2 1 305 649 25 ASN CB C 39.57 0.2 1 306 649 25 ASN CG C 177.15 0.2 1 307 649 25 ASN ND2 N 112.5 0.2 1 308 650 26 THR H H 8.01 0.02 1 309 650 26 THR HA H 4.58 0.02 1 310 650 26 THR HB H 4.29 0.02 1 311 650 26 THR HG2 H 1.25 0.02 1 312 650 26 THR C C 173.29 0.2 1 313 650 26 THR CA C 61.08 0.2 1 314 650 26 THR CB C 70.31 0.2 1 315 650 26 THR CG2 C 21.36 0.2 1 316 650 26 THR N N 112.53 0.2 1 317 651 27 ASN H H 8.7 0.02 1 318 651 27 ASN HA H 4.65 0.02 1 319 651 27 ASN HB2 H 3.02 0.02 2 320 651 27 ASN HB3 H 2.9 0.02 2 321 651 27 ASN HD21 H 7.62 0.02 2 322 651 27 ASN HD22 H 6.95 0.02 2 323 651 27 ASN C C 174.73 0.2 1 324 651 27 ASN CA C 53.75 0.2 1 325 651 27 ASN CB C 38.06 0.2 1 326 651 27 ASN CG C 177.72 0.2 1 327 651 27 ASN N N 119.91 0.2 1 328 651 27 ASN ND2 N 112.97 0.2 1 329 652 28 LEU H H 8.11 0.02 1 330 652 28 LEU HA H 4.34 0.02 1 331 652 28 LEU HB2 H 1.62 0.02 1 332 652 28 LEU HB3 H 1.62 0.02 1 333 652 28 LEU HD1 H 0.99 0.02 1 334 652 28 LEU HD2 H 0.94 0.02 1 335 652 28 LEU HG H 1.59 0.02 1 336 652 28 LEU C C 177.84 0.2 1 337 652 28 LEU CA C 55.84 0.2 1 338 652 28 LEU CB C 42.74 0.2 1 339 652 28 LEU CD1 C 25.16 0.2 1 340 652 28 LEU CD2 C 23.55 0.2 1 341 652 28 LEU CG C 27.31 0.2 1 342 652 28 LEU N N 119.65 0.2 1 343 653 29 LEU HA H 4.44 0.02 1 344 653 29 LEU HB2 H 1.51 0.02 2 345 653 29 LEU HB3 H 1.1 0.02 2 346 653 29 LEU HD1 H 0.67 0.02 1 347 653 29 LEU HD2 H 0.71 0.02 1 348 653 29 LEU HG H 1.53 0.02 1 349 653 29 LEU C C 175.95 0.2 1 350 653 29 LEU CA C 53.56 0.2 1 351 653 29 LEU CB C 42.83 0.2 1 352 653 29 LEU CD1 C 26.14 0.2 1 353 653 29 LEU CD2 C 23.56 0.2 1 354 653 29 LEU CG C 27.07 0.2 1 355 654 30 ASP H H 8.76 0.02 1 356 654 30 ASP HA H 4.41 0.02 1 357 654 30 ASP HB2 H 2.37 0.02 2 358 654 30 ASP HB3 H 2.73 0.02 2 359 654 30 ASP C C 175.86 0.2 1 360 654 30 ASP CA C 54.36 0.2 1 361 654 30 ASP CB C 42.79 0.2 1 362 654 30 ASP N N 124.14 0.2 1 363 655 31 ALA H H 8.7 0.02 1 364 655 31 ALA HA H 3.91 0.02 1 365 655 31 ALA HB H 1.58 0.02 1 366 655 31 ALA C C 178.77 0.2 1 367 655 31 ALA CA C 55.8 0.2 1 368 655 31 ALA CB C 20.55 0.2 1 369 655 31 ALA N N 130.57 0.2 1 370 656 32 GLN H H 8.1 0.02 1 371 656 32 GLN HA H 3.89 0.02 1 372 656 32 GLN HB2 H 2.18 0.02 2 373 656 32 GLN HB3 H 2.15 0.02 2 374 656 32 GLN HE21 H 7.49 0.02 2 375 656 32 GLN HE22 H 6.83 0.02 2 376 656 32 GLN HG2 H 2.44 0.02 2 377 656 32 GLN HG3 H 2.33 0.02 2 378 656 32 GLN C C 179.26 0.2 1 379 656 32 GLN CA C 59.23 0.2 1 380 656 32 GLN CB C 28.43 0.2 1 381 656 32 GLN CD C 180.49 0.2 1 382 656 32 GLN CG C 34.47 0.2 1 383 656 32 GLN N N 115.4 0.2 1 384 656 32 GLN NE2 N 112.37 0.2 1 385 657 33 LYS H H 8.54 0.02 1 386 657 33 LYS HA H 4.08 0.02 1 387 657 33 LYS HB2 H 1.87 0.02 2 388 657 33 LYS HB3 H 1.95 0.02 2 389 657 33 LYS HD2 H 1.83 0.02 1 390 657 33 LYS HD3 H 1.83 0.02 1 391 657 33 LYS HE2 H 2.99 0.02 1 392 657 33 LYS HE3 H 2.99 0.02 1 393 657 33 LYS HG2 H 1.42 0.02 2 394 657 33 LYS HG3 H 1.69 0.02 2 395 657 33 LYS C C 180.19 0.2 1 396 657 33 LYS CA C 59.87 0.2 1 397 657 33 LYS CB C 32.85 0.2 1 398 657 33 LYS CD C 29.67 0.2 1 399 657 33 LYS CE C 42.63 0.2 1 400 657 33 LYS CG C 26.45 0.2 1 401 657 33 LYS N N 118.68 0.2 1 402 658 34 LEU H H 8.81 0.02 1 403 658 34 LEU HA H 4.26 0.02 1 404 658 34 LEU HB2 H 2.05 0.02 2 405 658 34 LEU HB3 H 1.37 0.02 2 406 658 34 LEU HD1 H 0.96 0.02 1 407 658 34 LEU HD2 H 1.06 0.02 1 408 658 34 LEU HG H 1.62 0.02 1 409 658 34 LEU C C 177.72 0.2 1 410 658 34 LEU CA C 58.22 0.2 1 411 658 34 LEU CB C 41.17 0.2 1 412 658 34 LEU CD1 C 22.85 0.2 1 413 658 34 LEU CD2 C 26.52 0.2 1 414 658 34 LEU CG C 27.78 0.2 1 415 658 34 LEU N N 121.85 0.2 1 416 659 35 VAL H H 8.25 0.02 1 417 659 35 VAL HA H 3.3 0.02 1 418 659 35 VAL HB H 2.16 0.02 1 419 659 35 VAL HG1 H 0.92 0.02 1 420 659 35 VAL HG2 H 0.99 0.02 1 421 659 35 VAL C C 177.03 0.2 1 422 659 35 VAL CA C 67.87 0.2 1 423 659 35 VAL CB C 31.59 0.2 1 424 659 35 VAL CG1 C 21.51 0.2 1 425 659 35 VAL CG2 C 24.63 0.2 1 426 659 35 VAL N N 119.94 0.2 1 427 660 36 ASN H H 7.89 0.02 1 428 660 36 ASN HA H 4.37 0.02 1 429 660 36 ASN HB2 H 2.85 0.02 2 430 660 36 ASN HB3 H 2.94 0.02 2 431 660 36 ASN HD21 H 7.67 0.02 1 432 660 36 ASN HD22 H 6.93 0.02 1 433 660 36 ASN C C 176.74 0.2 1 434 660 36 ASN CA C 56.43 0.2 1 435 660 36 ASN CB C 37.98 0.2 1 436 660 36 ASN CG C 176.44 0.2 1 437 660 36 ASN N N 116.7 0.2 1 438 660 36 ASN ND2 N 111.66 0.2 1 439 661 37 PHE H H 8.14 0.02 1 440 661 37 PHE HA H 4.24 0.02 1 441 661 37 PHE HB2 H 3.21 0.02 2 442 661 37 PHE HB3 H 3.27 0.02 2 443 661 37 PHE HD1 H 7.01 0.02 1 444 661 37 PHE HD2 H 7.01 0.02 1 445 661 37 PHE HE1 H 7.16 0.02 1 446 661 37 PHE HE2 H 7.16 0.02 1 447 661 37 PHE HZ H 7.11 0.02 1 448 661 37 PHE C C 177.3 0.2 1 449 661 37 PHE CA C 61.24 0.2 1 450 661 37 PHE CB C 40.61 0.2 1 451 661 37 PHE CD1 C 131.46 0.2 1 452 661 37 PHE CD2 C 131.46 0.2 1 453 661 37 PHE CE1 C 131.22 0.2 1 454 661 37 PHE CE2 C 131.22 0.2 1 455 661 37 PHE CZ C 129.57 0.2 1 456 661 37 PHE N N 121.44 0.2 1 457 662 38 LEU H H 8.91 0.02 1 458 662 38 LEU HA H 3.75 0.02 1 459 662 38 LEU HB2 H 1.76 0.02 1 460 662 38 LEU HB3 H 1.48 0.02 1 461 662 38 LEU HD1 H 0.85 0.02 1 462 662 38 LEU HD2 H 0.8 0.02 1 463 662 38 LEU HG H 1.61 0.02 1 464 662 38 LEU C C 177.86 0.2 1 465 662 38 LEU CA C 57.01 0.2 1 466 662 38 LEU CB C 42.36 0.2 1 467 662 38 LEU CD1 C 23.91 0.2 1 468 662 38 LEU CD2 C 25.73 0.2 1 469 662 38 LEU CG C 27.04 0.2 1 470 662 38 LEU N N 120.15 0.2 1 471 663 39 ASN H H 8.51 0.02 1 472 663 39 ASN HA H 4.32 0.02 1 473 663 39 ASN HB2 H 2.7 0.02 2 474 663 39 ASN HB3 H 2.92 0.02 2 475 663 39 ASN HD21 H 7.55 0.02 2 476 663 39 ASN HD22 H 5.52 0.02 2 477 663 39 ASN C C 178.37 0.2 1 478 663 39 ASN CA C 55.38 0.2 1 479 663 39 ASN CB C 37.38 0.2 1 480 663 39 ASN CG C 173.24 0.2 1 481 663 39 ASN N N 115.26 0.2 1 482 663 39 ASN ND2 N 106.66 0.2 1 483 664 40 ASP H H 8.04 0.02 1 484 664 40 ASP HA H 4.92 0.02 1 485 664 40 ASP HB2 H 2.66 0.02 2 486 664 40 ASP HB3 H 2.74 0.02 2 487 664 40 ASP C C 177.57 0.2 1 488 664 40 ASP CA C 55.32 0.2 1 489 664 40 ASP CB C 42.96 0.2 1 490 664 40 ASP N N 116.29 0.2 1 491 665 41 GLN H H 8.12 0.02 1 492 665 41 GLN HA H 4.45 0.02 1 493 665 41 GLN HB2 H 1.59 0.02 2 494 665 41 GLN HB3 H 1.95 0.02 2 495 665 41 GLN HE21 H 7.56 0.02 2 496 665 41 GLN HE22 H 6.83 0.02 2 497 665 41 GLN HG2 H 2.28 0.02 1 498 665 41 GLN HG3 H 2.28 0.02 1 499 665 41 GLN C C 175.4 0.2 1 500 665 41 GLN CA C 55.88 0.2 1 501 665 41 GLN CB C 30.45 0.2 1 502 665 41 GLN CD C 180.06 0.2 1 503 665 41 GLN CG C 34.45 0.2 1 504 665 41 GLN N N 116.4 0.2 1 505 665 41 GLN NE2 N 112.27 0.2 1 506 666 42 VAL H H 6.67 0.02 1 507 666 42 VAL HA H 4.05 0.02 1 508 666 42 VAL HB H 1.82 0.02 1 509 666 42 VAL HG1 H 0.54 0.02 1 510 666 42 VAL HG2 H 0.48 0.02 1 511 666 42 VAL C C 174.56 0.2 1 512 666 42 VAL CA C 60.98 0.2 1 513 666 42 VAL CB C 33.76 0.2 1 514 666 42 VAL CG1 C 22.26 0.2 1 515 666 42 VAL CG2 C 22.09 0.2 1 516 666 42 VAL N N 115.63 0.2 1 517 667 43 GLU H H 8.34 0.02 1 518 667 43 GLU HA H 4.67 0.02 1 519 667 43 GLU HB2 H 1.76 0.02 2 520 667 43 GLU HB3 H 1.88 0.02 2 521 667 43 GLU HG2 H 2.01 0.02 2 522 667 43 GLU HG3 H 2.14 0.02 2 523 667 43 GLU C C 174.97 0.2 1 524 667 43 GLU CA C 53.89 0.2 1 525 667 43 GLU CB C 30.95 0.2 1 526 667 43 GLU CG C 35.76 0.2 1 527 667 43 GLU N N 126.94 0.2 1 528 668 44 ILE H H 9.14 0.02 1 529 668 44 ILE HA H 4.36 0.02 1 530 668 44 ILE HB H 1.98 0.02 1 531 668 44 ILE HD1 H 0.64 0.02 1 532 668 44 ILE HG12 H 1.33 0.02 2 533 668 44 ILE HG13 H 1.19 0.02 2 534 668 44 ILE HG2 H 1.05 0.02 1 535 668 44 ILE C C 174.6 0.2 1 536 668 44 ILE CA C 56.88 0.2 1 537 668 44 ILE CB C 37.2 0.2 1 538 668 44 ILE CD1 C 11.89 0.2 1 539 668 44 ILE CG1 C 27.14 0.2 1 540 668 44 ILE CG2 C 17.91 0.2 1 541 668 44 ILE N N 126.71 0.2 1 542 669 45 PRO HA H 4.54 0.02 1 543 669 45 PRO HB2 H 2.34 0.02 2 544 669 45 PRO HB3 H 1.96 0.02 2 545 669 45 PRO HD2 H 3.54 0.02 2 546 669 45 PRO HD3 H 4.04 0.02 2 547 669 45 PRO HG2 H 2.06 0.02 1 548 669 45 PRO HG3 H 2.06 0.02 1 549 669 45 PRO C C 175.51 0.2 1 550 669 45 PRO CA C 62.96 0.2 1 551 669 45 PRO CB C 32.22 0.2 1 552 669 45 PRO CD C 51.17 0.2 1 553 669 45 PRO CG C 26.91 0.2 1 554 670 46 THR H H 8.05 0.02 1 555 670 46 THR HA H 4.37 0.02 1 556 670 46 THR HB H 4.25 0.02 1 557 670 46 THR HG2 H 1.23 0.02 1 558 670 46 THR C C 175.17 0.2 1 559 670 46 THR CA C 61.2 0.2 1 560 670 46 THR CB C 70.09 0.2 1 561 670 46 THR CG2 C 21.53 0.2 1 562 670 46 THR N N 112.39 0.2 1 563 671 47 VAL H H 8.34 0.02 1 564 671 47 VAL HA H 4.13 0.02 1 565 671 47 VAL HB H 2.12 0.02 1 566 671 47 VAL HG1 H 0.96 0.02 2 567 671 47 VAL HG2 H 0.96 0.02 2 568 671 47 VAL C C 176.24 0.2 1 569 671 47 VAL CA C 62.37 0.2 1 570 671 47 VAL CB C 32.71 0.2 1 571 671 47 VAL CG1 C 21.35 0.2 1 572 671 47 VAL CG2 C 20.86 0.2 1 573 671 47 VAL N N 121.96 0.2 1 574 672 48 GLU H H 8.59 0.02 1 575 672 48 GLU HA H 4.32 0.02 1 576 672 48 GLU HB2 H 2.09 0.02 2 577 672 48 GLU HB3 H 1.98 0.02 2 578 672 48 GLU HG2 H 2.29 0.02 1 579 672 48 GLU HG3 H 2.29 0.02 1 580 672 48 GLU C C 176.69 0.2 1 581 672 48 GLU CA C 56.72 0.2 1 582 672 48 GLU CB C 29.92 0.2 1 583 672 48 GLU CG C 36.35 0.2 1 584 672 48 GLU N N 124.31 0.2 1 585 673 49 SER H H 8.37 0.02 1 586 673 49 SER HA H 4.5 0.02 1 587 673 49 SER HB2 H 3.93 0.02 1 588 673 49 SER HB3 H 3.93 0.02 1 589 673 49 SER C C 174.97 0.2 1 590 673 49 SER CA C 58.58 0.2 1 591 673 49 SER CB C 63.86 0.2 1 592 673 49 SER N N 117.25 0.2 1 593 674 50 THR H H 8.18 0.02 1 594 674 50 THR HA H 4.38 0.02 1 595 674 50 THR HB H 4.27 0.02 1 596 674 50 THR HG2 H 1.23 0.02 1 597 674 50 THR C C 174.58 0.2 1 598 674 50 THR CA C 62.01 0.2 1 599 674 50 THR CB C 69.62 0.2 1 600 674 50 THR CG2 C 21.6 0.2 1 601 674 50 THR N N 116.1 0.2 1 602 675 51 LYS H H 8.27 0.02 1 603 675 51 LYS HA H 4.43 0.02 1 604 675 51 LYS HB2 H 1.88 0.02 1 605 675 51 LYS HB3 H 1.88 0.02 1 606 675 51 LYS HD2 H 1.73 0.02 1 607 675 51 LYS HD3 H 1.73 0.02 1 608 675 51 LYS HE2 H 3.01 0.02 1 609 675 51 LYS HE3 H 3.01 0.02 1 610 675 51 LYS HG2 H 1.47 0.02 1 611 675 51 LYS HG3 H 1.47 0.02 1 612 675 51 LYS C C 176.47 0.2 1 613 675 51 LYS CA C 56.21 0.2 1 614 675 51 LYS CB C 32.91 0.2 1 615 675 51 LYS CD C 28.96 0.2 1 616 675 51 LYS CE C 41.99 0.2 1 617 675 51 LYS CG C 24.61 0.2 1 618 675 51 LYS N N 123.91 0.2 1 619 676 52 SER H H 8.36 0.02 1 620 676 52 SER HA H 4.5 0.02 1 621 676 52 SER HB2 H 3.89 0.02 1 622 676 52 SER HB3 H 3.89 0.02 1 623 676 52 SER C C 174.02 0.2 1 624 676 52 SER CA C 58.16 0.2 1 625 676 52 SER CB C 64.06 0.2 1 626 676 52 SER N N 117.91 0.2 1 627 677 53 GLY H H 8.01 0.02 1 628 677 53 GLY HA2 H 3.79 0.02 1 629 677 53 GLY HA3 H 3.79 0.02 1 630 677 53 GLY C C 179.02 0.2 1 631 677 53 GLY CA C 46.12 0.2 1 632 677 53 GLY N N 117.26 0.2 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $NMRPipe $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNHA' '3D C(CO)NH' '3D H(CCO)NH' '2D 1H-15N TROSY' '2D 1H-15N HMBC' '2D DQF-COSY' '2D 1H-13C HSQC' '2D HBHD' '2D HBHE' '3D HCACO' '3D HC(C)H-TOCSY' '3D (H)CCH-TOCSY' '2D HNCO' '2D 1H-13C HSQC-CT' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 $sample_6 $sample_7 $sample_8 $sample_9 $sample_10 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Rna15p _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 125 2 HIS HA H 4.68 0.02 1 2 125 2 HIS HB2 H 3.12 0.02 1 3 125 2 HIS HB3 H 3.12 0.02 1 4 125 2 HIS HD2 H 7.07 0.02 1 5 125 2 HIS HE1 H 7.96 0.02 1 6 125 2 HIS CB C 30.74 0.2 1 7 125 2 HIS CD2 C 119.44 0.2 1 8 125 2 HIS CE1 C 137.6 0.2 1 9 127 4 SER HA H 4.41 0.02 1 10 127 4 SER HB2 H 3.84 0.02 1 11 127 4 SER HB3 H 3.84 0.02 1 12 127 4 SER C C 174.09 0.2 1 13 127 4 SER CA C 58.26 0.2 1 14 127 4 SER CB C 63.83 0.2 1 15 128 5 ASN H H 8.45 0.02 1 16 128 5 ASN HA H 4.79 0.02 1 17 128 5 ASN HB2 H 2.76 0.02 2 18 128 5 ASN HB3 H 2.83 0.02 2 19 128 5 ASN HD21 H 7.62 0.02 2 20 128 5 ASN HD22 H 6.94 0.02 2 21 128 5 ASN C C 175.18 0.2 1 22 128 5 ASN CA C 53.09 0.2 1 23 128 5 ASN CB C 39.08 0.2 1 24 128 5 ASN CG C 177 0.2 1 25 128 5 ASN N N 120.6 0.2 1 26 128 5 ASN ND2 N 112.67 0.2 1 27 129 6 GLY H H 8.18 0.02 1 28 129 6 GLY HA2 H 4.13 0.02 1 29 129 6 GLY HA3 H 4.13 0.02 1 30 129 6 GLY C C 171.97 0.2 1 31 129 6 GLY CA C 44.5 0.2 1 32 129 6 GLY N N 109.07 0.2 1 33 130 7 PRO HA H 4.38 0.02 1 34 130 7 PRO HB2 H 1.79 0.02 2 35 130 7 PRO HB3 H 2.2 0.02 2 36 130 7 PRO HD2 H 3.62 0.02 1 37 130 7 PRO HD3 H 3.62 0.02 1 38 130 7 PRO HG2 H 1.98 0.02 1 39 130 7 PRO HG3 H 1.98 0.02 1 40 130 7 PRO C C 176.8 0.2 1 41 130 7 PRO CA C 63.4 0.2 1 42 130 7 PRO CB C 31.99 0.2 1 43 130 7 PRO CD C 49.79 0.2 1 44 130 7 PRO CG C 27.16 0.2 1 45 131 8 ASP H H 8.37 0.02 1 46 131 8 ASP HA H 4.56 0.02 1 47 131 8 ASP HB2 H 2.57 0.02 2 48 131 8 ASP HB3 H 2.66 0.02 2 49 131 8 ASP C C 176.35 0.2 1 50 131 8 ASP CA C 54.15 0.2 1 51 131 8 ASP CB C 40.76 0.2 1 52 131 8 ASP N N 119.64 0.2 1 53 132 9 PHE H H 8.07 0.02 1 54 132 9 PHE HA H 4.55 0.02 1 55 132 9 PHE HB2 H 3.15 0.02 2 56 132 9 PHE HB3 H 3.05 0.02 2 57 132 9 PHE HD1 H 7.25 0.02 1 58 132 9 PHE HD2 H 7.25 0.02 1 59 132 9 PHE C C 176.03 0.2 1 60 132 9 PHE CA C 58.17 0.2 1 61 132 9 PHE CB C 39.34 0.2 1 62 132 9 PHE CD1 C 131.71 0.2 1 63 132 9 PHE CD2 C 131.71 0.2 1 64 132 9 PHE N N 120.51 0.2 1 65 133 10 GLN H H 8.24 0.02 1 66 133 10 GLN HA H 4.25 0.02 1 67 133 10 GLN HB2 H 2.07 0.02 1 68 133 10 GLN HB3 H 2.07 0.02 1 69 133 10 GLN HE21 H 7.5 0.02 2 70 133 10 GLN HE22 H 6.83 0.02 2 71 133 10 GLN HG2 H 2.28 0.02 1 72 133 10 GLN HG3 H 2.28 0.02 1 73 133 10 GLN C C 175.73 0.2 1 74 133 10 GLN CA C 56.05 0.2 1 75 133 10 GLN CB C 28.99 0.2 1 76 133 10 GLN CD C 180.27 0.2 1 77 133 10 GLN CG C 33.79 0.2 1 78 133 10 GLN N N 120.83 0.2 1 79 133 10 GLN NE2 N 112.36 0.2 1 80 134 11 ASN H H 8.29 0.02 1 81 134 11 ASN HA H 4.72 0.02 1 82 134 11 ASN HB2 H 2.76 0.02 2 83 134 11 ASN HB3 H 2.88 0.02 2 84 134 11 ASN HD21 H 7.69 0.02 2 85 134 11 ASN HD22 H 6.93 0.02 2 86 134 11 ASN C C 175.41 0.2 1 87 134 11 ASN CA C 53.29 0.2 1 88 134 11 ASN CB C 38.85 0.2 1 89 134 11 ASN CG C 177.15 0.2 1 90 134 11 ASN N N 119.46 0.2 1 91 134 11 ASN ND2 N 113.16 0.2 1 92 135 12 SER H H 8.28 0.02 1 93 135 12 SER HA H 4.42 0.02 1 94 135 12 SER HB2 H 3.91 0.02 1 95 135 12 SER HB3 H 3.91 0.02 1 96 135 12 SER C C 175.24 0.2 1 97 135 12 SER CA C 58.84 0.2 1 98 135 12 SER CB C 63.83 0.2 1 99 135 12 SER N N 116.3 0.2 1 100 136 13 GLY H H 8.47 0.02 1 101 136 13 GLY HA2 H 3.98 0.02 1 102 136 13 GLY HA3 H 3.98 0.02 1 103 136 13 GLY C C 174.28 0.2 1 104 136 13 GLY CA C 45.43 0.2 1 105 136 13 GLY N N 110.62 0.2 1 106 137 14 ASN H H 8.25 0.02 1 107 137 14 ASN HA H 4.73 0.02 1 108 137 14 ASN HB2 H 2.83 0.02 1 109 137 14 ASN HB3 H 2.83 0.02 1 110 137 14 ASN HD21 H 7.62 0.02 2 111 137 14 ASN HD22 H 6.94 0.02 2 112 137 14 ASN C C 175.51 0.2 1 113 137 14 ASN CA C 53.3 0.2 1 114 137 14 ASN CB C 38.85 0.2 1 115 137 14 ASN CG C 176.93 0.2 1 116 137 14 ASN N N 119.06 0.2 1 117 137 14 ASN ND2 N 112.57 0.2 1 118 138 15 ALA H H 8.31 0.02 1 119 138 15 ALA HA H 4.24 0.02 1 120 138 15 ALA HB H 1.4 0.02 1 121 138 15 ALA C C 178.01 0.2 1 122 138 15 ALA CA C 53.39 0.2 1 123 138 15 ALA CB C 18.78 0.2 1 124 138 15 ALA N N 124.16 0.2 1 125 139 16 ASN H H 8.32 0.02 1 126 139 16 ASN HA H 4.62 0.02 1 127 139 16 ASN HB2 H 2.79 0.02 1 128 139 16 ASN HB3 H 2.79 0.02 1 129 139 16 ASN HD21 H 7.58 0.02 2 130 139 16 ASN HD22 H 6.89 0.02 2 131 139 16 ASN C C 175.83 0.2 1 132 139 16 ASN CA C 53.99 0.2 1 133 139 16 ASN CB C 38.52 0.2 1 134 139 16 ASN CG C 176.83 0.2 1 135 139 16 ASN N N 117.21 0.2 1 136 139 16 ASN ND2 N 112.76 0.2 1 137 140 17 PHE H H 8.06 0.02 1 138 140 17 PHE HA H 4.49 0.02 1 139 140 17 PHE HB2 H 3.17 0.02 1 140 140 17 PHE HB3 H 3.17 0.02 1 141 140 17 PHE HD1 H 7.25 0.02 1 142 140 17 PHE HD2 H 7.25 0.02 1 143 140 17 PHE HE1 H 7.36 0.02 1 144 140 17 PHE HE2 H 7.36 0.02 1 145 140 17 PHE HZ H 7.34 0.02 1 146 140 17 PHE C C 176.32 0.2 1 147 140 17 PHE CA C 59.15 0.2 1 148 140 17 PHE CB C 39.24 0.2 1 149 140 17 PHE CD1 C 131.82 0.2 1 150 140 17 PHE CD2 C 131.82 0.2 1 151 140 17 PHE CE1 C 131.21 0.2 1 152 140 17 PHE CE2 C 131.21 0.2 1 153 140 17 PHE CZ C 129.91 0.2 1 154 140 17 PHE N N 120.53 0.2 1 155 141 18 LEU H H 8.16 0.02 1 156 141 18 LEU HA H 4.16 0.02 1 157 141 18 LEU HB2 H 1.79 0.02 1 158 141 18 LEU HB3 H 1.64 0.02 1 159 141 18 LEU HD1 H 0.98 0.02 1 160 141 18 LEU HD2 H 0.96 0.02 1 161 141 18 LEU HG H 1.71 0.02 1 162 141 18 LEU C C 178 0.2 1 163 141 18 LEU CA C 56.64 0.2 1 164 141 18 LEU CB C 42.08 0.2 1 165 141 18 LEU CD1 C 25.08 0.2 1 166 141 18 LEU CD2 C 23.75 0.2 1 167 141 18 LEU CG C 26.89 0.2 1 168 141 18 LEU N N 121.14 0.2 1 169 142 19 SER H H 8.1 0.02 1 170 142 19 SER HA H 4.28 0.02 1 171 142 19 SER HB2 H 3.96 0.02 1 172 142 19 SER HB3 H 3.96 0.02 1 173 142 19 SER C C 175.5 0.2 1 174 142 19 SER CA C 59.75 0.2 1 175 142 19 SER CB C 63.37 0.2 1 176 142 19 SER N N 113.97 0.2 1 177 143 20 GLN H H 7.92 0.02 1 178 143 20 GLN HA H 4.16 0.02 1 179 143 20 GLN HB2 H 2.05 0.02 1 180 143 20 GLN HB3 H 2.05 0.02 1 181 143 20 GLN HE21 H 7.41 0.02 2 182 143 20 GLN HE22 H 6.81 0.02 2 183 143 20 GLN HG2 H 2.37 0.02 1 184 143 20 GLN HG3 H 2.37 0.02 1 185 143 20 GLN C C 176.56 0.2 1 186 143 20 GLN CA C 56.71 0.2 1 187 143 20 GLN CB C 28.76 0.2 1 188 143 20 GLN CD C 180.28 0.2 1 189 143 20 GLN CG C 34.06 0.2 1 190 143 20 GLN N N 120.02 0.2 1 191 143 20 GLN NE2 N 111.83 0.2 1 192 144 21 LYS H H 7.76 0.02 1 193 144 21 LYS HA H 3.96 0.02 1 194 144 21 LYS HB2 H 1.42 0.02 2 195 144 21 LYS HB3 H 1.24 0.02 2 196 144 21 LYS HD2 H 1.5 0.02 1 197 144 21 LYS HD3 H 1.5 0.02 1 198 144 21 LYS HE2 H 2.86 0.02 1 199 144 21 LYS HE3 H 2.86 0.02 1 200 144 21 LYS HG2 H 1.08 0.02 2 201 144 21 LYS HG3 H 0.92 0.02 2 202 144 21 LYS C C 175.82 0.2 1 203 144 21 LYS CA C 57.13 0.2 1 204 144 21 LYS CB C 33.04 0.2 1 205 144 21 LYS CD C 28.82 0.2 1 206 144 21 LYS CE C 41.75 0.2 1 207 144 21 LYS CG C 24.79 0.2 1 208 144 21 LYS N N 119.25 0.2 1 209 145 22 PHE H H 7.68 0.02 1 210 145 22 PHE HA H 5.03 0.02 1 211 145 22 PHE HB2 H 3 0.02 2 212 145 22 PHE HB3 H 2.85 0.02 2 213 145 22 PHE HD1 H 7.21 0.02 1 214 145 22 PHE HD2 H 7.21 0.02 1 215 145 22 PHE HE1 H 7.32 0.02 1 216 145 22 PHE HE2 H 7.32 0.02 1 217 145 22 PHE HZ H 7.56 0.02 1 218 145 22 PHE C C 173.27 0.2 1 219 145 22 PHE CA C 54.98 0.2 1 220 145 22 PHE CB C 39.71 0.2 1 221 145 22 PHE CD1 C 132.82 0.2 1 222 145 22 PHE CD2 C 132.82 0.2 1 223 145 22 PHE CE1 C 130.47 0.2 1 224 145 22 PHE CE2 C 130.47 0.2 1 225 145 22 PHE CZ C 129.53 0.2 1 226 145 22 PHE N N 115.9 0.2 1 227 146 23 PRO HA H 4.45 0.02 1 228 146 23 PRO HB2 H 2.29 0.02 2 229 146 23 PRO HB3 H 1.96 0.02 2 230 146 23 PRO HD2 H 3.59 0.02 2 231 146 23 PRO HD3 H 3.42 0.02 2 232 146 23 PRO HG2 H 1.92 0.02 1 233 146 23 PRO HG3 H 1.92 0.02 1 234 146 23 PRO C C 177.03 0.2 1 235 146 23 PRO CA C 64.13 0.2 1 236 146 23 PRO CB C 31.62 0.2 1 237 146 23 PRO CD C 50.18 0.2 1 238 146 23 PRO CG C 27.38 0.2 1 239 147 24 GLU H H 9.32 0.02 1 240 147 24 GLU HA H 4.27 0.02 1 241 147 24 GLU HB2 H 2.01 0.02 2 242 147 24 GLU HB3 H 2.08 0.02 2 243 147 24 GLU HG2 H 2.28 0.02 1 244 147 24 GLU HG3 H 2.28 0.02 1 245 147 24 GLU C C 176.15 0.2 1 246 147 24 GLU CA C 56.22 0.2 1 247 147 24 GLU CB C 28.79 0.2 1 248 147 24 GLU CG C 36.48 0.2 1 249 147 24 GLU N N 119 0.2 1 250 148 25 LEU H H 7.59 0.02 1 251 148 25 LEU HA H 4.27 0.02 1 252 148 25 LEU HB2 H 1.69 0.02 2 253 148 25 LEU HB3 H 1.4 0.02 2 254 148 25 LEU HD1 H 0.74 0.02 1 255 148 25 LEU HD2 H 0.61 0.02 1 256 148 25 LEU HG H 1.84 0.02 1 257 148 25 LEU C C 175.33 0.2 1 258 148 25 LEU CA C 53.17 0.2 1 259 148 25 LEU CB C 41.52 0.2 1 260 148 25 LEU CD1 C 26.12 0.2 1 261 148 25 LEU CD2 C 23.49 0.2 1 262 148 25 LEU CG C 26.25 0.2 1 263 148 25 LEU N N 122.64 0.2 1 264 149 26 PRO HA H 4.6 0.02 1 265 149 26 PRO HB2 H 1.76 0.02 2 266 149 26 PRO HB3 H 2.35 0.02 2 267 149 26 PRO HD2 H 3.92 0.02 2 268 149 26 PRO HD3 H 3.39 0.02 2 269 149 26 PRO HG2 H 1.99 0.02 2 270 149 26 PRO HG3 H 2.14 0.02 2 271 149 26 PRO C C 176.51 0.2 1 272 149 26 PRO CA C 62.18 0.2 1 273 149 26 PRO CB C 32.37 0.2 1 274 149 26 PRO CD C 50.55 0.2 1 275 149 26 PRO CG C 27.05 0.2 1 276 150 27 SER H H 8.66 0.02 1 277 150 27 SER HA H 4.26 0.02 1 278 150 27 SER HB2 H 3.96 0.02 1 279 150 27 SER HB3 H 3.96 0.02 1 280 150 27 SER C C 175.82 0.2 1 281 150 27 SER CA C 60.33 0.2 1 282 150 27 SER CB C 64.13 0.2 1 283 150 27 SER N N 115.46 0.2 1 284 151 28 GLY H H 8.02 0.02 1 285 151 28 GLY HA2 H 4.04 0.02 2 286 151 28 GLY HA3 H 3.97 0.02 2 287 151 28 GLY C C 174.76 0.2 1 288 151 28 GLY CA C 44.63 0.2 1 289 151 28 GLY N N 107.43 0.2 1 290 152 29 ILE H H 7.54 0.02 1 291 152 29 ILE HA H 4.5 0.02 1 292 152 29 ILE HB H 1.98 0.02 1 293 152 29 ILE HD1 H 0.69 0.02 1 294 152 29 ILE HG12 H 0.94 0.02 1 295 152 29 ILE HG13 H 0.4 0.02 1 296 152 29 ILE HG2 H 0.84 0.02 1 297 152 29 ILE CA C 60.08 0.2 1 298 152 29 ILE CB C 40.79 0.2 1 299 152 29 ILE CD1 C 14.24 0.2 1 300 152 29 ILE CG1 C 25.92 0.2 1 301 152 29 ILE CG2 C 18.22 0.2 1 302 152 29 ILE N N 111.28 0.2 1 303 153 30 ASP H H 8.28 0.02 1 304 153 30 ASP HA H 5.06 0.02 1 305 153 30 ASP HB2 H 2.71 0.02 2 306 153 30 ASP HB3 H 2.44 0.02 2 307 153 30 ASP C C 174.62 0.2 1 308 153 30 ASP CA C 54.21 0.2 1 309 153 30 ASP CB C 42.83 0.2 1 310 153 30 ASP N N 119.76 0.2 1 311 154 31 VAL H H 6.96 0.02 1 312 154 31 VAL HA H 3.93 0.02 1 313 154 31 VAL HB H 1.17 0.02 1 314 154 31 VAL HG1 H 0.35 0.02 1 315 154 31 VAL HG2 H 0.18 0.02 1 316 154 31 VAL C C 174.28 0.2 1 317 154 31 VAL CA C 59.84 0.2 1 318 154 31 VAL CB C 34.67 0.2 1 319 154 31 VAL CG1 C 21.39 0.2 1 320 154 31 VAL CG2 C 21.27 0.2 1 321 154 31 VAL N N 114.84 0.2 1 322 155 32 ASN H H 8.6 0.02 1 323 155 32 ASN HA H 4.86 0.02 1 324 155 32 ASN HB2 H 2.71 0.02 2 325 155 32 ASN HB3 H 3.06 0.02 2 326 155 32 ASN HD21 H 7.64 0.02 2 327 155 32 ASN HD22 H 7.11 0.02 2 328 155 32 ASN C C 176.2 0.2 1 329 155 32 ASN CA C 51.43 0.2 1 330 155 32 ASN CB C 36.76 0.2 1 331 155 32 ASN CG C 177.22 0.2 1 332 155 32 ASN N N 123.58 0.2 1 333 155 32 ASN ND2 N 111.59 0.2 1 334 156 33 ILE H H 8.04 0.02 1 335 156 33 ILE HA H 4.6 0.02 1 336 156 33 ILE HB H 2.18 0.02 1 337 156 33 ILE HD1 H 0.94 0.02 1 338 156 33 ILE HG12 H 1.43 0.02 1 339 156 33 ILE HG13 H 1.43 0.02 1 340 156 33 ILE HG2 H 1.03 0.02 1 341 156 33 ILE C C 176.45 0.2 1 342 156 33 ILE CA C 62.06 0.2 1 343 156 33 ILE CB C 37.71 0.2 1 344 156 33 ILE CD1 C 13.68 0.2 1 345 156 33 ILE CG1 C 26.6 0.2 1 346 156 33 ILE CG2 C 18.69 0.2 1 347 156 33 ILE N N 121.9 0.2 1 348 157 34 ASN H H 8.14 0.02 1 349 157 34 ASN HA H 4.66 0.02 1 350 157 34 ASN HB2 H 2.82 0.02 1 351 157 34 ASN HB3 H 2.82 0.02 1 352 157 34 ASN HD21 H 7.62 0.02 2 353 157 34 ASN HD22 H 6.98 0.02 2 354 157 34 ASN C C 175.57 0.2 1 355 157 34 ASN CA C 54.56 0.2 1 356 157 34 ASN CB C 38.45 0.2 1 357 157 34 ASN CG C 176.83 0.2 1 358 157 34 ASN N N 117.38 0.2 1 359 157 34 ASN ND2 N 113.68 0.2 1 360 158 35 MET H H 7.72 0.02 1 361 158 35 MET HA H 4.62 0.02 1 362 158 35 MET HB2 H 1.94 0.02 2 363 158 35 MET HB3 H 2.09 0.02 2 364 158 35 MET HG2 H 2.39 0.02 2 365 158 35 MET HG3 H 2.54 0.02 2 366 158 35 MET C C 175.33 0.2 1 367 158 35 MET CA C 55.68 0.2 1 368 158 35 MET CB C 34.81 0.2 1 369 158 35 MET CG C 32.05 0.2 1 370 158 35 MET N N 116.68 0.2 1 371 159 36 THR H H 7.98 0.02 1 372 159 36 THR HA H 4.63 0.02 1 373 159 36 THR HB H 4 0.02 1 374 159 36 THR HG2 H 1.02 0.02 1 375 159 36 THR C C 172.1 0.2 1 376 159 36 THR CA C 59.73 0.2 1 377 159 36 THR CB C 69.45 0.2 1 378 159 36 THR CG2 C 19.76 0.2 1 379 159 36 THR N N 115.05 0.2 1 380 160 37 THR H H 8 0.02 1 381 160 37 THR HA H 4.94 0.02 1 382 160 37 THR HB H 4.59 0.02 1 383 160 37 THR HG2 H 1.28 0.02 1 384 160 37 THR C C 174.05 0.2 1 385 160 37 THR CA C 58.02 0.2 1 386 160 37 THR CB C 69.28 0.2 1 387 160 37 THR CG2 C 21.75 0.2 1 388 160 37 THR N N 110.54 0.2 1 389 161 38 PRO HA H 3.89 0.02 1 390 161 38 PRO HB2 H 1.56 0.02 2 391 161 38 PRO HB3 H 1.62 0.02 2 392 161 38 PRO HD2 H 3.98 0.02 2 393 161 38 PRO HD3 H 3.7 0.02 2 394 161 38 PRO HG2 H 2.21 0.02 2 395 161 38 PRO HG3 H 1.45 0.02 2 396 161 38 PRO C C 177.77 0.2 1 397 161 38 PRO CA C 65.76 0.2 1 398 161 38 PRO CB C 31.96 0.2 1 399 161 38 PRO CD C 50.3 0.2 1 400 161 38 PRO CG C 28.35 0.2 1 401 162 39 ALA H H 8.09 0.02 1 402 162 39 ALA HA H 3.95 0.02 1 403 162 39 ALA HB H 1.43 0.02 1 404 162 39 ALA C C 180.29 0.2 1 405 162 39 ALA CA C 55.19 0.2 1 406 162 39 ALA CB C 18.52 0.2 1 407 162 39 ALA N N 117.4 0.2 1 408 163 40 MET H H 7.88 0.02 1 409 163 40 MET HA H 4.26 0.02 1 410 163 40 MET HB2 H 2.21 0.02 2 411 163 40 MET HB3 H 2.13 0.02 2 412 163 40 MET HG2 H 2.64 0.02 2 413 163 40 MET HG3 H 2.58 0.02 2 414 163 40 MET C C 179.71 0.2 1 415 163 40 MET CA C 58.12 0.2 1 416 163 40 MET CB C 31.75 0.2 1 417 163 40 MET CG C 32.84 0.2 1 418 163 40 MET N N 118.36 0.2 1 419 164 41 MET H H 7.92 0.02 1 420 164 41 MET HA H 4.33 0.02 1 421 164 41 MET HB2 H 2.11 0.02 2 422 164 41 MET HB3 H 2.17 0.02 2 423 164 41 MET HG2 H 2.5 0.02 2 424 164 41 MET HG3 H 2.62 0.02 2 425 164 41 MET C C 179.63 0.2 1 426 164 41 MET CA C 58.1 0.2 1 427 164 41 MET CB C 30.96 0.2 1 428 164 41 MET CG C 32.67 0.2 1 429 164 41 MET N N 119.46 0.2 1 430 165 42 ILE H H 7.87 0.02 1 431 165 42 ILE HA H 3.62 0.02 1 432 165 42 ILE HB H 2.21 0.02 1 433 165 42 ILE HD1 H 0.89 0.02 1 434 165 42 ILE HG12 H 1.95 0.02 1 435 165 42 ILE HG13 H 0.96 0.02 1 436 165 42 ILE HG2 H 0.89 0.02 1 437 165 42 ILE C C 177.34 0.2 1 438 165 42 ILE CA C 66.23 0.2 1 439 165 42 ILE CB C 37.1 0.2 1 440 165 42 ILE CD1 C 14.39 0.2 1 441 165 42 ILE CG1 C 30.07 0.2 1 442 165 42 ILE CG2 C 17.96 0.2 1 443 165 42 ILE N N 119.77 0.2 1 444 166 43 SER H H 8.27 0.02 1 445 166 43 SER HA H 4.12 0.02 1 446 166 43 SER HB2 H 3.97 0.02 1 447 166 43 SER HB3 H 3.97 0.02 1 448 166 43 SER C C 177.32 0.2 1 449 166 43 SER CA C 62.59 0.2 1 450 166 43 SER CB C 62.78 0.2 1 451 166 43 SER N N 115.49 0.2 1 452 167 44 SER H H 8.4 0.02 1 453 167 44 SER HA H 4.21 0.02 1 454 167 44 SER HB2 H 3.98 0.02 1 455 167 44 SER HB3 H 3.98 0.02 1 456 167 44 SER C C 176.48 0.2 1 457 167 44 SER CA C 61.35 0.2 1 458 167 44 SER CB C 62.79 0.2 1 459 167 44 SER N N 116.01 0.2 1 460 168 45 GLU H H 7.76 0.02 1 461 168 45 GLU HA H 4.09 0.02 1 462 168 45 GLU HB2 H 2.01 0.02 1 463 168 45 GLU HB3 H 2.01 0.02 1 464 168 45 GLU HG2 H 2.35 0.02 1 465 168 45 GLU HG3 H 2.35 0.02 1 466 168 45 GLU C C 180.02 0.2 1 467 168 45 GLU CA C 58.41 0.2 1 468 168 45 GLU CB C 28.88 0.2 1 469 168 45 GLU CG C 36.35 0.2 1 470 168 45 GLU N N 121.59 0.2 1 471 169 46 LEU H H 8.44 0.02 1 472 169 46 LEU HA H 3.87 0.02 1 473 169 46 LEU HB2 H 1.93 0.02 1 474 169 46 LEU HB3 H 1.34 0.02 1 475 169 46 LEU HD1 H 0.79 0.02 1 476 169 46 LEU HD2 H 0.62 0.02 1 477 169 46 LEU HG H 1.96 0.02 1 478 169 46 LEU C C 178.9 0.2 1 479 169 46 LEU CA C 57.55 0.2 1 480 169 46 LEU CB C 40.34 0.2 1 481 169 46 LEU CD1 C 25.42 0.2 1 482 169 46 LEU CD2 C 21.99 0.2 1 483 169 46 LEU CG C 26.25 0.2 1 484 169 46 LEU N N 118.59 0.2 1 485 170 47 ALA H H 7.68 0.02 1 486 170 47 ALA HA H 4.14 0.02 1 487 170 47 ALA HB H 1.49 0.02 1 488 170 47 ALA C C 178.81 0.2 1 489 170 47 ALA CA C 53.62 0.2 1 490 170 47 ALA CB C 17.99 0.2 1 491 170 47 ALA N N 118.35 0.2 1 492 171 48 LYS H H 7.09 0.02 1 493 171 48 LYS HA H 4.18 0.02 1 494 171 48 LYS HB2 H 2.05 0.02 2 495 171 48 LYS HB3 H 1.86 0.02 2 496 171 48 LYS HD2 H 1.72 0.02 1 497 171 48 LYS HD3 H 1.72 0.02 1 498 171 48 LYS HE2 H 2.88 0.02 1 499 171 48 LYS HE3 H 2.88 0.02 1 500 171 48 LYS HG2 H 1.73 0.02 2 501 171 48 LYS HG3 H 1.44 0.02 2 502 171 48 LYS C C 177.23 0.2 1 503 171 48 LYS CA C 56.94 0.2 1 504 171 48 LYS CB C 33.25 0.2 1 505 171 48 LYS CD C 29.89 0.2 1 506 171 48 LYS CE C 42 0.2 1 507 171 48 LYS CG C 25.36 0.2 1 508 171 48 LYS N N 114.83 0.2 1 509 172 49 LYS H H 7.79 0.02 1 510 172 49 LYS HA H 4.82 0.02 1 511 172 49 LYS HB2 H 2.07 0.02 2 512 172 49 LYS HB3 H 1.56 0.02 2 513 172 49 LYS HD2 H 1.61 0.02 2 514 172 49 LYS HD3 H 1.48 0.02 2 515 172 49 LYS HE2 H 2.78 0.02 1 516 172 49 LYS HE3 H 2.78 0.02 1 517 172 49 LYS HG2 H 1.64 0.02 2 518 172 49 LYS HG3 H 1.43 0.02 2 519 172 49 LYS C C 173.79 0.2 1 520 172 49 LYS CA C 52.27 0.2 1 521 172 49 LYS CB C 32.6 0.2 1 522 172 49 LYS CD C 28.59 0.2 1 523 172 49 LYS CE C 41.63 0.2 1 524 172 49 LYS CG C 24.33 0.2 1 525 172 49 LYS N N 120.15 0.2 1 526 173 50 PRO HA H 4.53 0.02 1 527 173 50 PRO HB2 H 2.01 0.02 2 528 173 50 PRO HB3 H 2.61 0.02 2 529 173 50 PRO HD2 H 4.16 0.02 2 530 173 50 PRO HD3 H 3.61 0.02 2 531 173 50 PRO HG2 H 2.19 0.02 2 532 173 50 PRO HG3 H 2.12 0.02 2 533 173 50 PRO C C 177.48 0.2 1 534 173 50 PRO CA C 62.19 0.2 1 535 173 50 PRO CB C 33.05 0.2 1 536 173 50 PRO CD C 50.95 0.2 1 537 173 50 PRO CG C 27.67 0.2 1 538 174 51 LYS H H 9.04 0.02 1 539 174 51 LYS HA H 3.81 0.02 1 540 174 51 LYS HB2 H 2 0.02 2 541 174 51 LYS HB3 H 1.81 0.02 2 542 174 51 LYS HD2 H 1.77 0.02 1 543 174 51 LYS HD3 H 1.77 0.02 1 544 174 51 LYS HE2 H 3.07 0.02 1 545 174 51 LYS HE3 H 3.07 0.02 1 546 174 51 LYS HG2 H 1.65 0.02 2 547 174 51 LYS HG3 H 1.42 0.02 2 548 174 51 LYS C C 178.11 0.2 1 549 174 51 LYS CA C 60.39 0.2 1 550 174 51 LYS CB C 31.92 0.2 1 551 174 51 LYS CD C 28.87 0.2 1 552 174 51 LYS CE C 42 0.2 1 553 174 51 LYS CG C 24.55 0.2 1 554 174 51 LYS N N 125.24 0.2 1 555 175 52 GLU H H 9.54 0.02 1 556 175 52 GLU HA H 4 0.02 1 557 175 52 GLU HB2 H 2.07 0.02 2 558 175 52 GLU HB3 H 2.11 0.02 2 559 175 52 GLU HG2 H 2.37 0.02 1 560 175 52 GLU HG3 H 2.37 0.02 1 561 175 52 GLU C C 178.95 0.2 1 562 175 52 GLU CA C 60.24 0.2 1 563 175 52 GLU CB C 28.62 0.2 1 564 175 52 GLU CG C 36.47 0.2 1 565 175 52 GLU N N 115.74 0.2 1 566 176 53 VAL H H 7.13 0.02 1 567 176 53 VAL HA H 3.78 0.02 1 568 176 53 VAL HB H 2.23 0.02 1 569 176 53 VAL HG1 H 1.07 0.02 1 570 176 53 VAL HG2 H 1.16 0.02 1 571 176 53 VAL C C 178.78 0.2 1 572 176 53 VAL CA C 65.48 0.2 1 573 176 53 VAL CB C 31.94 0.2 1 574 176 53 VAL CG1 C 21.25 0.2 1 575 176 53 VAL CG2 C 22.84 0.2 1 576 176 53 VAL N N 119.86 0.2 1 577 177 54 GLN H H 7.97 0.02 1 578 177 54 GLN HA H 3.78 0.02 1 579 177 54 GLN HB2 H 1.8 0.02 2 580 177 54 GLN HB3 H 2.03 0.02 2 581 177 54 GLN HE21 H 7.06 0.02 2 582 177 54 GLN HE22 H 6.78 0.02 2 583 177 54 GLN HG2 H 2.51 0.02 2 584 177 54 GLN HG3 H 2.64 0.02 2 585 177 54 GLN C C 178.31 0.2 1 586 177 54 GLN CA C 59.98 0.2 1 587 177 54 GLN CB C 27.97 0.2 1 588 177 54 GLN CD C 177.11 0.2 1 589 177 54 GLN CG C 33.53 0.2 1 590 177 54 GLN N N 121.22 0.2 1 591 177 54 GLN NE2 N 110.27 0.2 1 592 178 55 LEU H H 8.59 0.02 1 593 178 55 LEU HA H 4.04 0.02 1 594 178 55 LEU HB2 H 1.85 0.02 2 595 178 55 LEU HB3 H 1.46 0.02 2 596 178 55 LEU HD1 H 0.87 0.02 1 597 178 55 LEU HD2 H 0.84 0.02 1 598 178 55 LEU HG H 1.86 0.02 1 599 178 55 LEU C C 179.14 0.2 1 600 178 55 LEU CA C 57.75 0.2 1 601 178 55 LEU CB C 40.96 0.2 1 602 178 55 LEU CD1 C 25.62 0.2 1 603 178 55 LEU CD2 C 22.68 0.2 1 604 178 55 LEU CG C 27.05 0.2 1 605 178 55 LEU N N 116.83 0.2 1 606 179 56 LYS H H 7.84 0.02 1 607 179 56 LYS HA H 4.16 0.02 1 608 179 56 LYS HB2 H 2.04 0.02 2 609 179 56 LYS HB3 H 1.98 0.02 2 610 179 56 LYS HD2 H 1.8 0.02 1 611 179 56 LYS HD3 H 1.8 0.02 1 612 179 56 LYS HE2 H 3.01 0.02 1 613 179 56 LYS HE3 H 3.01 0.02 1 614 179 56 LYS HG2 H 1.65 0.02 2 615 179 56 LYS HG3 H 1.59 0.02 2 616 179 56 LYS C C 178.54 0.2 1 617 179 56 LYS CA C 59.08 0.2 1 618 179 56 LYS CB C 31.66 0.2 1 619 179 56 LYS CD C 28.87 0.2 1 620 179 56 LYS CE C 41.8 0.2 1 621 179 56 LYS CG C 25.26 0.2 1 622 179 56 LYS N N 120.09 0.2 1 623 180 57 PHE H H 8.1 0.02 1 624 180 57 PHE HA H 3.89 0.02 1 625 180 57 PHE HB2 H 3.19 0.02 2 626 180 57 PHE HB3 H 3.39 0.02 2 627 180 57 PHE HD1 H 6.98 0.02 1 628 180 57 PHE HD2 H 6.98 0.02 1 629 180 57 PHE HE1 H 6.86 0.02 1 630 180 57 PHE HE2 H 6.86 0.02 1 631 180 57 PHE HZ H 6.5 0.02 1 632 180 57 PHE C C 176.62 0.2 1 633 180 57 PHE CA C 61.89 0.2 1 634 180 57 PHE CB C 37.6 0.2 1 635 180 57 PHE CD1 C 132.06 0.2 1 636 180 57 PHE CD2 C 132.06 0.2 1 637 180 57 PHE CE1 C 130.17 0.2 1 638 180 57 PHE CE2 C 130.17 0.2 1 639 180 57 PHE CZ C 128.8 0.2 1 640 180 57 PHE N N 119.6 0.2 1 641 181 58 LEU H H 7.83 0.02 1 642 181 58 LEU HA H 3.85 0.02 1 643 181 58 LEU HB2 H 2.21 0.02 2 644 181 58 LEU HB3 H 1.39 0.02 2 645 181 58 LEU HD1 H 0.92 0.02 1 646 181 58 LEU HD2 H 1.11 0.02 1 647 181 58 LEU HG H 2.11 0.02 1 648 181 58 LEU C C 178.06 0.2 1 649 181 58 LEU CA C 57.84 0.2 1 650 181 58 LEU CB C 43.03 0.2 1 651 181 58 LEU CD1 C 25.8 0.2 1 652 181 58 LEU CD2 C 22.85 0.2 1 653 181 58 LEU CG C 26.77 0.2 1 654 181 58 LEU N N 118.79 0.2 1 655 182 59 GLN H H 8.71 0.02 1 656 182 59 GLN HA H 3.85 0.02 1 657 182 59 GLN HB2 H 2.22 0.02 2 658 182 59 GLN HB3 H 2.27 0.02 2 659 182 59 GLN HE21 H 7.36 0.02 2 660 182 59 GLN HE22 H 6.76 0.02 2 661 182 59 GLN HG2 H 2.58 0.02 2 662 182 59 GLN HG3 H 2.32 0.02 2 663 182 59 GLN C C 179.42 0.2 1 664 182 59 GLN CA C 59.56 0.2 1 665 182 59 GLN CB C 28.61 0.2 1 666 182 59 GLN CD C 179.56 0.2 1 667 182 59 GLN CG C 33.67 0.2 1 668 182 59 GLN N N 118.66 0.2 1 669 182 59 GLN NE2 N 110.93 0.2 1 670 183 60 LYS H H 8.52 0.02 1 671 183 60 LYS HA H 4.16 0.02 1 672 183 60 LYS HB2 H 1.93 0.02 2 673 183 60 LYS HB3 H 1.7 0.02 2 674 183 60 LYS HD2 H 1.76 0.02 1 675 183 60 LYS HD3 H 1.76 0.02 1 676 183 60 LYS HE2 H 3.01 0.02 1 677 183 60 LYS HE3 H 3.01 0.02 1 678 183 60 LYS HG2 H 1.65 0.02 2 679 183 60 LYS HG3 H 1.58 0.02 2 680 183 60 LYS C C 179.79 0.2 1 681 183 60 LYS CA C 57.67 0.2 1 682 183 60 LYS CB C 31.49 0.2 1 683 183 60 LYS CD C 28.2 0.2 1 684 183 60 LYS CE C 41.96 0.2 1 685 183 60 LYS CG C 24.77 0.2 1 686 183 60 LYS N N 118.72 0.2 1 687 184 61 PHE H H 8.99 0.02 1 688 184 61 PHE HA H 4.57 0.02 1 689 184 61 PHE HB2 H 2.52 0.02 2 690 184 61 PHE HB3 H 2.7 0.02 2 691 184 61 PHE HD1 H 7.03 0.02 1 692 184 61 PHE HD2 H 7.03 0.02 1 693 184 61 PHE HE1 H 7.2 0.02 1 694 184 61 PHE HE2 H 7.2 0.02 1 695 184 61 PHE HZ H 7 0.02 1 696 184 61 PHE C C 176.47 0.2 1 697 184 61 PHE CA C 59.6 0.2 1 698 184 61 PHE CB C 38.79 0.2 1 699 184 61 PHE CD1 C 130.8 0.2 1 700 184 61 PHE CD2 C 130.8 0.2 1 701 184 61 PHE CE1 C 130.77 0.2 1 702 184 61 PHE CE2 C 130.77 0.2 1 703 184 61 PHE CZ C 128.3 0.2 1 704 184 61 PHE N N 121.3 0.2 1 705 185 62 GLN H H 8.62 0.02 1 706 185 62 GLN HA H 4.52 0.02 1 707 185 62 GLN HB2 H 2.2 0.02 2 708 185 62 GLN HB3 H 1.81 0.02 2 709 185 62 GLN HE21 H 6.42 0.02 2 710 185 62 GLN HE22 H 8.48 0.02 2 711 185 62 GLN HG2 H 2.13 0.02 2 712 185 62 GLN HG3 H 1.96 0.02 2 713 185 62 GLN C C 177.23 0.2 1 714 185 62 GLN CA C 57.27 0.2 1 715 185 62 GLN CB C 29.35 0.2 1 716 185 62 GLN CD C 179.4 0.2 1 717 185 62 GLN CG C 34.08 0.2 1 718 185 62 GLN N N 118.28 0.2 1 719 185 62 GLN NE2 N 113.68 0.2 1 720 186 63 GLU H H 7.98 0.02 1 721 186 63 GLU HA H 3.98 0.02 1 722 186 63 GLU HB2 H 2.25 0.02 2 723 186 63 GLU HB3 H 2.3 0.02 2 724 186 63 GLU HG2 H 2.49 0.02 1 725 186 63 GLU HG3 H 2.49 0.02 1 726 186 63 GLU C C 179.03 0.2 1 727 186 63 GLU CA C 59.58 0.2 1 728 186 63 GLU CB C 29.74 0.2 1 729 186 63 GLU CG C 36.74 0.2 1 730 186 63 GLU N N 119 0.2 1 731 187 64 TRP H H 7.8 0.02 1 732 187 64 TRP HA H 4.44 0.02 1 733 187 64 TRP HB2 H 3.41 0.02 2 734 187 64 TRP HB3 H 3.73 0.02 2 735 187 64 TRP HD1 H 7.4 0.02 1 736 187 64 TRP HE1 H 9.81 0.02 1 737 187 64 TRP HE3 H 7.42 0.02 1 738 187 64 TRP HH2 H 6.93 0.02 1 739 187 64 TRP HZ2 H 7.53 0.02 1 740 187 64 TRP HZ3 H 6.8 0.02 1 741 187 64 TRP C C 178.62 0.2 1 742 187 64 TRP CA C 63.04 0.2 1 743 187 64 TRP CB C 28.49 0.2 1 744 187 64 TRP CD1 C 126.74 0.2 1 745 187 64 TRP CE3 C 120.17 0.2 1 746 187 64 TRP CH2 C 123.28 0.2 1 747 187 64 TRP CZ2 C 114.31 0.2 1 748 187 64 TRP CZ3 C 120.95 0.2 1 749 187 64 TRP N N 120.67 0.2 1 750 187 64 TRP NE1 N 130.02 0.2 1 751 188 65 THR H H 9.68 0.02 1 752 188 65 THR HA H 3.21 0.02 1 753 188 65 THR HB H 3.82 0.02 1 754 188 65 THR HG2 H 0.61 0.02 1 755 188 65 THR C C 178.7 0.2 1 756 188 65 THR CA C 66.71 0.2 1 757 188 65 THR CB C 67.23 0.2 1 758 188 65 THR CG2 C 21.42 0.2 1 759 188 65 THR N N 115.2 0.2 1 760 189 66 ARG H H 8.23 0.02 1 761 189 66 ARG HA H 3.78 0.02 1 762 189 66 ARG HB2 H 1.61 0.02 2 763 189 66 ARG HB3 H 1.76 0.02 2 764 189 66 ARG HD2 H 2.97 0.02 1 765 189 66 ARG HD3 H 2.97 0.02 1 766 189 66 ARG HE H 7.21 0.02 1 767 189 66 ARG HG2 H 1.36 0.02 2 768 189 66 ARG HG3 H 1.98 0.02 2 769 189 66 ARG C C 178.66 0.2 1 770 189 66 ARG CA C 58.93 0.2 1 771 189 66 ARG CB C 30.44 0.2 1 772 189 66 ARG CD C 44.3 0.2 1 773 189 66 ARG CG C 29.34 0.2 1 774 189 66 ARG N N 121.63 0.2 1 775 189 66 ARG NE N 84.24 0.2 1 776 190 67 ALA H H 6.93 0.02 1 777 190 67 ALA HA H 4.05 0.02 1 778 190 67 ALA HB H 1.1 0.02 1 779 190 67 ALA C C 177.58 0.2 1 780 190 67 ALA CA C 52.59 0.2 1 781 190 67 ALA CB C 19.26 0.2 1 782 190 67 ALA N N 118.75 0.2 1 783 191 68 HIS H H 7.44 0.02 1 784 191 68 HIS HA H 4.85 0.02 1 785 191 68 HIS HB2 H 2.86 0.02 2 786 191 68 HIS HB3 H 1.82 0.02 2 787 191 68 HIS HD2 H 6.65 0.02 1 788 191 68 HIS HE1 H 8.58 0.02 1 789 191 68 HIS C C 171.19 0.2 1 790 191 68 HIS CA C 52.25 0.2 1 791 191 68 HIS CB C 27.46 0.2 1 792 191 68 HIS CD2 C 121.38 0.2 1 793 191 68 HIS CE1 C 135.65 0.2 1 794 191 68 HIS N N 114.97 0.2 1 795 192 69 PRO HA H 4.29 0.02 1 796 192 69 PRO HB2 H 1.93 0.02 1 797 192 69 PRO HB3 H 1.93 0.02 1 798 192 69 PRO HD2 H 3.4 0.02 2 799 192 69 PRO HD3 H 3.28 0.02 2 800 192 69 PRO HG2 H 1.96 0.02 2 801 192 69 PRO HG3 H 2.01 0.02 2 802 192 69 PRO C C 180.15 0.2 1 803 192 69 PRO CA C 66.12 0.2 1 804 192 69 PRO CB C 31.14 0.2 1 805 192 69 PRO CD C 49.26 0.2 1 806 192 69 PRO CG C 27.79 0.2 1 807 193 70 GLU H H 8.26 0.02 1 808 193 70 GLU HA H 4.19 0.02 1 809 193 70 GLU HB2 H 2.09 0.02 2 810 193 70 GLU HB3 H 1.96 0.02 2 811 193 70 GLU HG2 H 2.42 0.02 2 812 193 70 GLU HG3 H 2.3 0.02 2 813 193 70 GLU C C 179.75 0.2 1 814 193 70 GLU CA C 59.82 0.2 1 815 193 70 GLU CB C 28.13 0.2 1 816 193 70 GLU CG C 36.79 0.2 1 817 193 70 GLU N N 118.71 0.2 1 818 194 71 ASP H H 8.2 0.02 1 819 194 71 ASP HA H 4.55 0.02 1 820 194 71 ASP HB2 H 2.63 0.02 2 821 194 71 ASP HB3 H 2.95 0.02 2 822 194 71 ASP C C 178.42 0.2 1 823 194 71 ASP CA C 56.97 0.2 1 824 194 71 ASP CB C 40.5 0.2 1 825 194 71 ASP N N 121.53 0.2 1 826 195 72 ALA H H 8.68 0.02 1 827 195 72 ALA HA H 4.4 0.02 1 828 195 72 ALA HB H 1.39 0.02 1 829 195 72 ALA C C 178.49 0.2 1 830 195 72 ALA CA C 55.32 0.2 1 831 195 72 ALA CB C 20.18 0.2 1 832 195 72 ALA N N 122.07 0.2 1 833 196 73 ALA H H 7.81 0.02 1 834 196 73 ALA HA H 3.94 0.02 1 835 196 73 ALA HB H 1.5 0.02 1 836 196 73 ALA C C 179.83 0.2 1 837 196 73 ALA CA C 55.38 0.2 1 838 196 73 ALA CB C 17.03 0.2 1 839 196 73 ALA N N 120.04 0.2 1 840 197 74 SER H H 7.84 0.02 1 841 197 74 SER HA H 4.36 0.02 1 842 197 74 SER HB2 H 4.07 0.02 1 843 197 74 SER HB3 H 4.07 0.02 1 844 197 74 SER C C 176.16 0.2 1 845 197 74 SER CA C 62 0.2 1 846 197 74 SER CB C 63.06 0.2 1 847 197 74 SER N N 113.73 0.2 1 848 198 75 LEU H H 8.79 0.02 1 849 198 75 LEU HA H 3.8 0.02 1 850 198 75 LEU HB2 H 2.23 0.02 2 851 198 75 LEU HB3 H 1.5 0.02 2 852 198 75 LEU HD1 H 0.25 0.02 1 853 198 75 LEU HD2 H 0.69 0.02 1 854 198 75 LEU HG H 1.3 0.02 1 855 198 75 LEU C C 178.1 0.2 1 856 198 75 LEU CA C 57.91 0.2 1 857 198 75 LEU CB C 41.13 0.2 1 858 198 75 LEU CD1 C 22.91 0.2 1 859 198 75 LEU CD2 C 27.74 0.2 1 860 198 75 LEU CG C 27.28 0.2 1 861 198 75 LEU N N 123.31 0.2 1 862 199 76 LEU H H 8.19 0.02 1 863 199 76 LEU HA H 3.99 0.02 1 864 199 76 LEU HB2 H 1.89 0.02 2 865 199 76 LEU HB3 H 1.55 0.02 2 866 199 76 LEU HD1 H 1 0.02 1 867 199 76 LEU HD2 H 0.92 0.02 1 868 199 76 LEU HG H 2.01 0.02 1 869 199 76 LEU C C 178.88 0.2 1 870 199 76 LEU CA C 57.1 0.2 1 871 199 76 LEU CB C 40.57 0.2 1 872 199 76 LEU CD1 C 25.87 0.2 1 873 199 76 LEU CD2 C 22.46 0.2 1 874 199 76 LEU CG C 27.52 0.2 1 875 199 76 LEU N N 117.69 0.2 1 876 200 77 GLU H H 7.85 0.02 1 877 200 77 GLU HA H 4.13 0.02 1 878 200 77 GLU HB2 H 2.13 0.02 2 879 200 77 GLU HB3 H 2.27 0.02 2 880 200 77 GLU HG2 H 2.41 0.02 1 881 200 77 GLU HG3 H 2.41 0.02 1 882 200 77 GLU C C 178.59 0.2 1 883 200 77 GLU CA C 58.74 0.2 1 884 200 77 GLU CB C 29.35 0.2 1 885 200 77 GLU CG C 36.34 0.2 1 886 200 77 GLU N N 119.52 0.2 1 887 201 78 LEU H H 7.77 0.02 1 888 201 78 LEU HA H 4.26 0.02 1 889 201 78 LEU HB2 H 1.92 0.02 2 890 201 78 LEU HB3 H 1.85 0.02 2 891 201 78 LEU HD1 H 1.03 0.02 1 892 201 78 LEU HD2 H 0.98 0.02 1 893 201 78 LEU HG H 1.93 0.02 1 894 201 78 LEU C C 177.44 0.2 1 895 201 78 LEU CA C 56.87 0.2 1 896 201 78 LEU CB C 43.23 0.2 1 897 201 78 LEU CD1 C 24.19 0.2 1 898 201 78 LEU CD2 C 25.11 0.2 1 899 201 78 LEU CG C 26.91 0.2 1 900 201 78 LEU N N 119.25 0.2 1 901 202 79 CYS H H 8.35 0.02 1 902 202 79 CYS HA H 5 0.02 1 903 202 79 CYS HB2 H 2.87 0.02 2 904 202 79 CYS HB3 H 2.46 0.02 2 905 202 79 CYS C C 172.94 0.2 1 906 202 79 CYS CA C 55.62 0.2 1 907 202 79 CYS CB C 27.8 0.2 1 908 202 79 CYS N N 115.32 0.2 1 909 203 80 PRO HA H 4.57 0.02 1 910 203 80 PRO HB2 H 2.62 0.02 2 911 203 80 PRO HB3 H 1.96 0.02 2 912 203 80 PRO HD2 H 3.98 0.02 2 913 203 80 PRO HD3 H 3.46 0.02 2 914 203 80 PRO HG2 H 2.22 0.02 2 915 203 80 PRO HG3 H 2.3 0.02 2 916 203 80 PRO C C 178.78 0.2 1 917 203 80 PRO CA C 64.37 0.2 1 918 203 80 PRO CB C 31.42 0.2 1 919 203 80 PRO CD C 50.66 0.2 1 920 203 80 PRO CG C 30.44 0.2 1 921 204 81 GLN H H 10.72 0.02 1 922 204 81 GLN HA H 3.22 0.02 1 923 204 81 GLN HB2 H 1.9 0.02 2 924 204 81 GLN HB3 H 1.76 0.02 2 925 204 81 GLN HE21 H 7.89 0.02 2 926 204 81 GLN HE22 H 6.59 0.02 2 927 204 81 GLN HG2 H 2.85 0.02 2 928 204 81 GLN HG3 H 1.98 0.02 2 929 204 81 GLN C C 177.45 0.2 1 930 204 81 GLN CA C 57.84 0.2 1 931 204 81 GLN CB C 30.47 0.2 1 932 204 81 GLN CD C 180.32 0.2 1 933 204 81 GLN CG C 31.89 0.2 1 934 204 81 GLN N N 121.4 0.2 1 935 204 81 GLN NE2 N 109.74 0.2 1 936 205 82 LEU H H 8.16 0.02 1 937 205 82 LEU HA H 4.06 0.02 1 938 205 82 LEU HB2 H 1.5 0.02 2 939 205 82 LEU HB3 H 1.88 0.02 2 940 205 82 LEU HD1 H 0.65 0.02 1 941 205 82 LEU HD2 H 0.63 0.02 1 942 205 82 LEU HG H 1.45 0.02 1 943 205 82 LEU C C 179.69 0.2 1 944 205 82 LEU CA C 56.17 0.2 1 945 205 82 LEU CB C 42.32 0.2 1 946 205 82 LEU CD1 C 23.11 0.2 1 947 205 82 LEU CD2 C 25.11 0.2 1 948 205 82 LEU CG C 26.98 0.2 1 949 205 82 LEU N N 122.49 0.2 1 950 206 83 SER H H 7.64 0.02 1 951 206 83 SER HA H 4.01 0.02 1 952 206 83 SER HB2 H 3.76 0.02 2 953 206 83 SER HB3 H 4.07 0.02 2 954 206 83 SER C C 175.4 0.2 1 955 206 83 SER CA C 61.65 0.2 1 956 206 83 SER CB C 62.06 0.2 1 957 206 83 SER N N 121.13 0.2 1 958 207 84 PHE H H 7.49 0.02 1 959 207 84 PHE HA H 4.11 0.02 1 960 207 84 PHE HB2 H 3.05 0.02 2 961 207 84 PHE HB3 H 2.82 0.02 2 962 207 84 PHE HD1 H 7.13 0.02 1 963 207 84 PHE HD2 H 7.13 0.02 1 964 207 84 PHE HE1 H 7.43 0.02 1 965 207 84 PHE HE2 H 7.43 0.02 1 966 207 84 PHE HZ H 7.53 0.02 1 967 207 84 PHE C C 178.55 0.2 1 968 207 84 PHE CA C 61.68 0.2 1 969 207 84 PHE CB C 38.55 0.2 1 970 207 84 PHE CD1 C 131.47 0.2 1 971 207 84 PHE CD2 C 131.47 0.2 1 972 207 84 PHE CE1 C 131.58 0.2 1 973 207 84 PHE CE2 C 131.58 0.2 1 974 207 84 PHE CZ C 130.77 0.2 1 975 207 84 PHE N N 119.65 0.2 1 976 208 85 VAL H H 8.03 0.02 1 977 208 85 VAL HA H 3.5 0.02 1 978 208 85 VAL HB H 2.1 0.02 1 979 208 85 VAL HG1 H 0.7 0.02 1 980 208 85 VAL HG2 H 1.02 0.02 1 981 208 85 VAL C C 176.14 0.2 1 982 208 85 VAL CA C 66.24 0.2 1 983 208 85 VAL CB C 31.77 0.2 1 984 208 85 VAL CG1 C 21.62 0.2 1 985 208 85 VAL CG2 C 24.31 0.2 1 986 208 85 VAL N N 118.38 0.2 1 987 209 86 THR H H 7.9 0.02 1 988 209 86 THR HA H 3.66 0.02 1 989 209 86 THR HB H 4.35 0.02 1 990 209 86 THR HG2 H 1.27 0.02 1 991 209 86 THR C C 175.35 0.2 1 992 209 86 THR CA C 68.88 0.2 1 993 209 86 THR CB C 67.94 0.2 1 994 209 86 THR CG2 C 20.92 0.2 1 995 209 86 THR N N 116.88 0.2 1 996 210 87 ALA H H 8.02 0.02 1 997 210 87 ALA HA H 3.85 0.02 1 998 210 87 ALA HB H 1.35 0.02 1 999 210 87 ALA C C 178.24 0.2 1 1000 210 87 ALA CA C 55.79 0.2 1 1001 210 87 ALA CB C 18.07 0.2 1 1002 210 87 ALA N N 121.62 0.2 1 1003 211 88 GLU H H 8.04 0.02 1 1004 211 88 GLU HA H 4.03 0.02 1 1005 211 88 GLU HB2 H 2.06 0.02 1 1006 211 88 GLU HB3 H 2.06 0.02 1 1007 211 88 GLU HG2 H 2.09 0.02 1 1008 211 88 GLU HG3 H 2.09 0.02 1 1009 211 88 GLU C C 180.2 0.2 1 1010 211 88 GLU CA C 59.36 0.2 1 1011 211 88 GLU CB C 28.58 0.2 1 1012 211 88 GLU CG C 35.61 0.2 1 1013 211 88 GLU N N 116.43 0.2 1 1014 212 89 LEU H H 8.6 0.02 1 1015 212 89 LEU HA H 4.03 0.02 1 1016 212 89 LEU HB2 H 2.25 0.02 2 1017 212 89 LEU HB3 H 1.21 0.02 2 1018 212 89 LEU HD1 H 0.69 0.02 1 1019 212 89 LEU HD2 H 0.74 0.02 1 1020 212 89 LEU HG H 1.93 0.02 1 1021 212 89 LEU C C 180.24 0.2 1 1022 212 89 LEU CA C 57.68 0.2 1 1023 212 89 LEU CB C 43 0.2 1 1024 212 89 LEU CD1 C 27.06 0.2 1 1025 212 89 LEU CD2 C 23.74 0.2 1 1026 212 89 LEU CG C 25.95 0.2 1 1027 212 89 LEU N N 119.17 0.2 1 1028 213 90 LEU H H 8.35 0.02 1 1029 213 90 LEU HA H 4.05 0.02 1 1030 213 90 LEU HB2 H 1.88 0.02 2 1031 213 90 LEU HB3 H 1.52 0.02 2 1032 213 90 LEU HD1 H 0.94 0.02 1 1033 213 90 LEU HD2 H 0.87 0.02 1 1034 213 90 LEU HG H 2.21 0.02 1 1035 213 90 LEU C C 178.95 0.2 1 1036 213 90 LEU CA C 58.21 0.2 1 1037 213 90 LEU CB C 42.41 0.2 1 1038 213 90 LEU CD1 C 25.95 0.2 1 1039 213 90 LEU CD2 C 24.61 0.2 1 1040 213 90 LEU CG C 26.13 0.2 1 1041 213 90 LEU N N 120.24 0.2 1 1042 214 91 LEU H H 8.2 0.02 1 1043 214 91 LEU HA H 4.33 0.02 1 1044 214 91 LEU HB2 H 1.91 0.02 2 1045 214 91 LEU HB3 H 1.55 0.02 2 1046 214 91 LEU HD1 H 0.8 0.02 1 1047 214 91 LEU HD2 H 0.71 0.02 1 1048 214 91 LEU HG H 1.75 0.02 1 1049 214 91 LEU C C 182.52 0.2 1 1050 214 91 LEU CA C 57.51 0.2 1 1051 214 91 LEU CB C 42.31 0.2 1 1052 214 91 LEU CD1 C 25.36 0.2 1 1053 214 91 LEU CD2 C 23.61 0.2 1 1054 214 91 LEU CG C 26.42 0.2 1 1055 214 91 LEU N N 119.24 0.2 1 1056 215 92 THR H H 9.09 0.02 1 1057 215 92 THR HA H 4.18 0.02 1 1058 215 92 THR HB H 4.3 0.02 1 1059 215 92 THR HG2 H 1.39 0.02 1 1060 215 92 THR C C 176.13 0.2 1 1061 215 92 THR CA C 65.42 0.2 1 1062 215 92 THR CB C 69.12 0.2 1 1063 215 92 THR CG2 C 21.98 0.2 1 1064 215 92 THR N N 114.38 0.2 1 1065 216 93 ASN H H 7.13 0.02 1 1066 216 93 ASN HA H 4.9 0.02 1 1067 216 93 ASN HB2 H 2.68 0.02 2 1068 216 93 ASN HB3 H 2.84 0.02 2 1069 216 93 ASN HD21 H 7.93 0.02 2 1070 216 93 ASN HD22 H 7.65 0.02 2 1071 216 93 ASN C C 174.67 0.2 1 1072 216 93 ASN CA C 54.59 0.2 1 1073 216 93 ASN CB C 39.79 0.2 1 1074 216 93 ASN CG C 177.25 0.2 1 1075 216 93 ASN N N 115.16 0.2 1 1076 216 93 ASN ND2 N 112.57 0.2 1 1077 217 94 GLY H H 7.96 0.02 1 1078 217 94 GLY HA2 H 4.02 0.02 1 1079 217 94 GLY HA3 H 4.02 0.02 1 1080 217 94 GLY C C 174.43 0.2 1 1081 217 94 GLY CA C 46.65 0.2 1 1082 217 94 GLY N N 108.41 0.2 1 1083 218 95 ILE H H 8.34 0.02 1 1084 218 95 ILE HA H 3.88 0.02 1 1085 218 95 ILE HB H 1.96 0.02 1 1086 218 95 ILE HD1 H 0.91 0.02 1 1087 218 95 ILE HG12 H 1.54 0.02 2 1088 218 95 ILE HG13 H 1.17 0.02 2 1089 218 95 ILE HG2 H 1.03 0.02 1 1090 218 95 ILE C C 175.93 0.2 1 1091 218 95 ILE CA C 62.61 0.2 1 1092 218 95 ILE CB C 37.93 0.2 1 1093 218 95 ILE CD1 C 13.63 0.2 1 1094 218 95 ILE CG1 C 28.82 0.2 1 1095 218 95 ILE CG2 C 18.81 0.2 1 1096 218 95 ILE N N 120.01 0.2 1 1097 219 96 CYS H H 7.48 0.02 1 1098 219 96 CYS HA H 4.94 0.02 1 1099 219 96 CYS HB2 H 3.45 0.02 2 1100 219 96 CYS HB3 H 2.88 0.02 2 1101 219 96 CYS C C 171.53 0.2 1 1102 219 96 CYS CA C 55.5 0.2 1 1103 219 96 CYS CB C 30.94 0.2 1 1104 219 96 CYS N N 112.66 0.2 1 1105 220 97 LYS H H 9.12 0.02 1 1106 220 97 LYS HA H 4.74 0.02 1 1107 220 97 LYS HB2 H 1.74 0.02 2 1108 220 97 LYS HB3 H 2.09 0.02 2 1109 220 97 LYS HD2 H 1.75 0.02 1 1110 220 97 LYS HD3 H 1.75 0.02 1 1111 220 97 LYS HE2 H 3.04 0.02 1 1112 220 97 LYS HE3 H 3.04 0.02 1 1113 220 97 LYS HG2 H 1.5 0.02 1 1114 220 97 LYS HG3 H 1.5 0.02 1 1115 220 97 LYS C C 178.68 0.2 1 1116 220 97 LYS CA C 54.4 0.2 1 1117 220 97 LYS CB C 34.81 0.2 1 1118 220 97 LYS CD C 28.89 0.2 1 1119 220 97 LYS CE C 41.99 0.2 1 1120 220 97 LYS CG C 24.91 0.2 1 1121 220 97 LYS N N 119.25 0.2 1 1122 221 98 VAL H H 8.88 0.02 1 1123 221 98 VAL HA H 3.64 0.02 1 1124 221 98 VAL HB H 2.09 0.02 1 1125 221 98 VAL HG1 H 1 0.02 1 1126 221 98 VAL HG2 H 1.08 0.02 1 1127 221 98 VAL C C 178.56 0.2 1 1128 221 98 VAL CA C 66.75 0.2 1 1129 221 98 VAL CB C 31.53 0.2 1 1130 221 98 VAL CG1 C 20.78 0.2 1 1131 221 98 VAL CG2 C 22.15 0.2 1 1132 221 98 VAL N N 122.13 0.2 1 1133 222 99 ASP H H 8.41 0.02 1 1134 222 99 ASP HA H 4.31 0.02 1 1135 222 99 ASP HB2 H 2.42 0.02 2 1136 222 99 ASP HB3 H 2.67 0.02 2 1137 222 99 ASP C C 178.02 0.2 1 1138 222 99 ASP CA C 56.17 0.2 1 1139 222 99 ASP CB C 40.14 0.2 1 1140 222 99 ASP N N 116.42 0.2 1 1141 223 100 ASP H H 7.58 0.02 1 1142 223 100 ASP HA H 4.4 0.02 1 1143 223 100 ASP HB2 H 2.8 0.02 2 1144 223 100 ASP HB3 H 2.88 0.02 2 1145 223 100 ASP C C 176.09 0.2 1 1146 223 100 ASP CA C 56.26 0.2 1 1147 223 100 ASP CB C 41.6 0.2 1 1148 223 100 ASP N N 116.4 0.2 1 1149 224 101 LEU H H 7.24 0.02 1 1150 224 101 LEU HA H 4.01 0.02 1 1151 224 101 LEU HB2 H 1.85 0.02 2 1152 224 101 LEU HB3 H 1.36 0.02 2 1153 224 101 LEU HD1 H 0.79 0.02 1 1154 224 101 LEU HD2 H 0.45 0.02 1 1155 224 101 LEU HG H 1.58 0.02 1 1156 224 101 LEU C C 178.85 0.2 1 1157 224 101 LEU CA C 54.57 0.2 1 1158 224 101 LEU CB C 41.68 0.2 1 1159 224 101 LEU CD1 C 26.24 0.2 1 1160 224 101 LEU CD2 C 22.63 0.2 1 1161 224 101 LEU CG C 26.72 0.2 1 1162 224 101 LEU N N 113.97 0.2 1 1163 225 102 ILE H H 7.3 0.02 1 1164 225 102 ILE HA H 3.91 0.02 1 1165 225 102 ILE HB H 2.01 0.02 1 1166 225 102 ILE HD1 H 0.89 0.02 1 1167 225 102 ILE HG12 H 1.73 0.02 2 1168 225 102 ILE HG13 H 1.21 0.02 2 1169 225 102 ILE HG2 H 0.92 0.02 1 1170 225 102 ILE CA C 66.22 0.2 1 1171 225 102 ILE CB C 36.19 0.2 1 1172 225 102 ILE CD1 C 12.63 0.2 1 1173 225 102 ILE CG1 C 29.14 0.2 1 1174 225 102 ILE CG2 C 17.03 0.2 1 1175 225 102 ILE N N 122.02 0.2 1 1176 226 103 PRO HA H 4.53 0.02 1 1177 226 103 PRO HB2 H 2.42 0.02 2 1178 226 103 PRO HB3 H 1.74 0.02 2 1179 226 103 PRO HD2 H 3.66 0.02 2 1180 226 103 PRO HD3 H 3.39 0.02 2 1181 226 103 PRO HG2 H 1.92 0.02 2 1182 226 103 PRO HG3 H 1.96 0.02 2 1183 226 103 PRO C C 176.51 0.2 1 1184 226 103 PRO CA C 64.51 0.2 1 1185 226 103 PRO CB C 31.26 0.2 1 1186 226 103 PRO CD C 50.86 0.2 1 1187 226 103 PRO CG C 27.82 0.2 1 1188 227 104 LEU H H 7.44 0.02 1 1189 227 104 LEU HA H 4.14 0.02 1 1190 227 104 LEU HB2 H 1.45 0.02 2 1191 227 104 LEU HB3 H 1.83 0.02 2 1192 227 104 LEU HD1 H 0.38 0.02 1 1193 227 104 LEU HD2 H 0.58 0.02 1 1194 227 104 LEU HG H 1.45 0.02 1 1195 227 104 LEU C C 175.51 0.2 1 1196 227 104 LEU CA C 54.08 0.2 1 1197 227 104 LEU CB C 40.96 0.2 1 1198 227 104 LEU CD1 C 26.02 0.2 1 1199 227 104 LEU CD2 C 22.82 0.2 1 1200 227 104 LEU CG C 27.08 0.2 1 1201 227 104 LEU N N 115.36 0.2 1 1202 228 105 ALA H H 7.27 0.02 1 1203 228 105 ALA HA H 4.35 0.02 1 1204 228 105 ALA HB H 1.48 0.02 1 1205 228 105 ALA C C 177.74 0.2 1 1206 228 105 ALA CA C 52.52 0.2 1 1207 228 105 ALA CB C 19.46 0.2 1 1208 228 105 ALA N N 120.74 0.2 1 1209 229 106 SER H H 8.23 0.02 1 1210 229 106 SER HA H 4.39 0.02 1 1211 229 106 SER HB2 H 3.76 0.02 1 1212 229 106 SER HB3 H 3.76 0.02 1 1213 229 106 SER C C 174.27 0.2 1 1214 229 106 SER CA C 58.72 0.2 1 1215 229 106 SER CB C 63.74 0.2 1 1216 229 106 SER N N 116.28 0.2 1 1217 230 107 ARG H H 8.44 0.02 1 1218 230 107 ARG HA H 4.74 0.02 1 1219 230 107 ARG HB2 H 1.89 0.02 2 1220 230 107 ARG HB3 H 1.76 0.02 2 1221 230 107 ARG HD2 H 3.24 0.02 1 1222 230 107 ARG HD3 H 3.24 0.02 1 1223 230 107 ARG HG2 H 1.68 0.02 1 1224 230 107 ARG HG3 H 1.68 0.02 1 1225 230 107 ARG C C 174.04 0.2 1 1226 230 107 ARG CA C 53.59 0.2 1 1227 230 107 ARG CB C 30.49 0.2 1 1228 230 107 ARG CD C 43.81 0.2 1 1229 230 107 ARG CG C 26.71 0.2 1 1230 230 107 ARG N N 124.16 0.2 1 1231 231 108 PRO HA H 4.46 0.02 1 1232 231 108 PRO HB2 H 2.32 0.02 2 1233 231 108 PRO HB3 H 1.99 0.02 2 1234 231 108 PRO HD2 H 3.67 0.02 2 1235 231 108 PRO HD3 H 3.82 0.02 2 1236 231 108 PRO HG2 H 2.08 0.02 2 1237 231 108 PRO HG3 H 2.01 0.02 2 1238 231 108 PRO C C 176.24 0.2 1 1239 231 108 PRO CA C 63.39 0.2 1 1240 231 108 PRO CB C 31.82 0.2 1 1241 231 108 PRO CD C 50.67 0.2 1 1242 231 108 PRO CG C 27.22 0.2 1 1243 232 109 GLN H H 8.03 0.02 1 1244 232 109 GLN HA H 4.16 0.02 1 1245 232 109 GLN HB2 H 2.14 0.02 1 1246 232 109 GLN HB3 H 2.14 0.02 1 1247 232 109 GLN HE21 H 7.54 0.02 2 1248 232 109 GLN HE22 H 6.83 0.02 2 1249 232 109 GLN HG2 H 2.35 0.02 1 1250 232 109 GLN HG3 H 2.35 0.02 1 1251 232 109 GLN C C 180.74 0.2 1 1252 232 109 GLN CA C 57.32 0.2 1 1253 232 109 GLN CB C 30.27 0.2 1 1254 232 109 GLN CD C 181.35 0.2 1 1255 232 109 GLN CG C 34.32 0.2 1 1256 232 109 GLN N N 125.68 0.2 1 1257 232 109 GLN NE2 N 112.2 0.2 1 stop_ save_