data_25831 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution structure of the complex of microRNA 20b pre-element with Rbfox RRM ; _BMRB_accession_number 25831 _BMRB_flat_file_name bmr25831.str _Entry_type original _Submission_date 2015-09-30 _Accession_date 2015-09-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Fan . . 2 Chen Yu . . 3 Varani Gabriele . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 746 "13C chemical shifts" 566 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-22 update BMRB 'update entry citation' 2016-04-12 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25826 'microRNA 20b pre-element' stop_ _Original_release_date 2016-04-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Rbfox proteins regulate microRNA biogenesis by sequence-specific binding to their precursors and target downstream Dicer ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27001519 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Yu . . 2 Zubovic Lorena . . 3 Yang Fan . . 4 Godin Katherine . . 5 Pavelitz Tom . . 6 Castellanos Javier . . 7 Macchi Paolo . . 8 Varani Gabriele . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 44 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4381 _Page_last 4395 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'complex of microRNA 20b pre-element with Rbfox RRM' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label miR-20b $miR-20b Rbfox_RRM $Rbfox_RRM 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_miR-20b _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common miR-20b _Molecular_mass 7318.388 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; GGUAGUUUUGGCAUGACUCU ACC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 19 G 2 20 G 3 21 U 4 22 A 5 23 G 6 24 U 7 25 U 8 26 U 9 27 U 10 28 G 11 29 G 12 30 C 13 31 A 14 32 U 15 33 G 16 34 A 17 35 C 18 36 U 19 37 C 20 38 U 21 39 A 22 40 C 23 41 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_Rbfox_RRM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rbfox_RRM _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 104 _Mol_residue_sequence ; GSHMNTENKSQPKRLHVSNI PFRFRDPDLRQMFGQFGKIL DVEIIFNERGSKGFGFVTFE NSADADRAREKLHGTVVEGR KIEVNNATARVMTNKKTVNP YTNG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 105 GLY 2 106 SER 3 107 HIS 4 108 MET 5 109 ASN 6 110 THR 7 111 GLU 8 112 ASN 9 113 LYS 10 114 SER 11 115 GLN 12 116 PRO 13 117 LYS 14 118 ARG 15 119 LEU 16 120 HIS 17 121 VAL 18 122 SER 19 123 ASN 20 124 ILE 21 125 PRO 22 126 PHE 23 127 ARG 24 128 PHE 25 129 ARG 26 130 ASP 27 131 PRO 28 132 ASP 29 133 LEU 30 134 ARG 31 135 GLN 32 136 MET 33 137 PHE 34 138 GLY 35 139 GLN 36 140 PHE 37 141 GLY 38 142 LYS 39 143 ILE 40 144 LEU 41 145 ASP 42 146 VAL 43 147 GLU 44 148 ILE 45 149 ILE 46 150 PHE 47 151 ASN 48 152 GLU 49 153 ARG 50 154 GLY 51 155 SER 52 156 LYS 53 157 GLY 54 158 PHE 55 159 GLY 56 160 PHE 57 161 VAL 58 162 THR 59 163 PHE 60 164 GLU 61 165 ASN 62 166 SER 63 167 ALA 64 168 ASP 65 169 ALA 66 170 ASP 67 171 ARG 68 172 ALA 69 173 ARG 70 174 GLU 71 175 LYS 72 176 LEU 73 177 HIS 74 178 GLY 75 179 THR 76 180 VAL 77 181 VAL 78 182 GLU 79 183 GLY 80 184 ARG 81 185 LYS 82 186 ILE 83 187 GLU 84 188 VAL 85 189 ASN 86 190 ASN 87 191 ALA 88 192 THR 89 193 ALA 90 194 ARG 91 195 VAL 92 196 MET 93 197 THR 94 198 ASN 95 199 LYS 96 200 LYS 97 201 THR 98 202 VAL 99 203 ASN 100 204 PRO 101 205 TYR 102 206 THR 103 207 ASN 104 208 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rbfox_RRM human 9606 Eukaryota Metazoa Homo sapiens $miR-20b human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $miR-20b 'T7 in vitro transcription' . . . . NA NA $Rbfox_RRM 'recombinant technology' . . . . plasmid PET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $miR-20b 1 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' $Rbfox_RRM 1 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $miR-20b 1 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' $Rbfox_RRM 1 mM '[U-99% 13C; U-99% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $miR-20b 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' $Rbfox_RRM 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $miR-20b 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' $Rbfox_RRM 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement 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_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_F1-,_F2-filtered_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F1-, F2-filtered 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_F1-,_F2-filtered_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F1-, F2-filtered 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_CCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_3D_13C_F1-filtered,_F3-edited_NOESY-HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C F1-filtered, F3-edited NOESY-HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 279 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D F1-, F2-filtered 1H-1H NOESY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name miR-20b _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 19 1 G H1' H 5.835 0.002 1 2 19 1 G H2' H 4.940 0.002 2 3 19 1 G H3' H 4.703 0.001 1 4 19 1 G H4' H 4.586 0.002 1 5 19 1 G H5' H 4.287 0.007 2 6 19 1 G H5'' H 4.460 0.018 2 7 19 1 G H8 H 8.144 0.002 1 8 19 1 G C1' C 91.856 0.000 1 9 19 1 G C2' C 75.135 0.000 1 10 19 1 G C3' C 74.522 0.000 1 11 19 1 G C4' C 83.258 0.000 1 12 19 1 G C5' C 66.972 0.007 1 13 19 1 G C8 C 138.864 0.000 1 14 20 2 G H1' H 5.950 0.007 1 15 20 2 G H2' H 4.524 0.000 2 16 20 2 G H4' H 4.550 0.000 1 17 20 2 G H5' H 4.260 0.000 2 18 20 2 G H8 H 7.585 0.014 1 19 20 2 G C1' C 93.136 0.000 1 20 20 2 G C2' C 75.352 0.000 1 21 20 2 G C4' C 82.670 0.000 1 22 20 2 G C5' C 66.405 0.000 1 23 20 2 G C8 C 136.915 0.000 1 24 21 3 U H2' H 4.532 0.000 1 25 21 3 U H4' H 4.480 0.000 1 26 21 3 U H5 H 5.034 0.002 1 27 21 3 U H6 H 7.724 0.001 1 28 21 3 U C2' C 75.401 0.000 1 29 21 3 U C4' C 83.054 0.000 1 30 21 3 U C5 C 102.898 0.000 1 31 22 4 A H1' H 6.011 0.000 1 32 22 4 A H2 H 6.869 0.008 1 33 22 4 A H8 H 8.113 0.000 1 34 22 4 A C2 C 152.657 0.000 1 35 22 4 A C8 C 139.489 0.000 1 36 23 5 G H1' H 5.572 0.003 1 37 23 5 G H2' H 4.311 0.015 2 38 23 5 G H3' H 4.329 0.016 1 39 23 5 G H4' H 4.447 0.005 1 40 23 5 G H5' H 4.051 0.007 2 41 23 5 G H5'' H 4.457 0.012 2 42 23 5 G H8 H 7.186 0.000 1 43 23 5 G C1' C 92.582 0.000 1 44 23 5 G C2' C 75.538 0.000 1 45 23 5 G C3' C 73.250 0.000 1 46 23 5 G C4' C 82.313 0.000 1 47 23 5 G C5' C 65.923 0.006 1 48 23 5 G C8 C 136.054 0.000 1 49 24 6 U H1' H 5.588 0.000 1 50 24 6 U H2' H 3.914 0.017 1 51 24 6 U H3' H 4.443 0.004 1 52 24 6 U H4' H 4.334 0.000 1 53 24 6 U H5 H 5.212 0.030 1 54 24 6 U H5' H 4.451 0.000 2 55 24 6 U H5'' H 4.077 0.004 2 56 24 6 U H6 H 7.466 0.019 1 57 24 6 U C1' C 93.232 0.000 1 58 24 6 U C2' C 76.277 0.000 1 59 24 6 U C3' C 74.396 0.000 1 60 24 6 U C4' C 83.780 0.000 1 61 24 6 U C5 C 104.099 0.000 1 62 24 6 U C5' C 65.578 0.027 1 63 24 6 U C6 C 141.336 0.000 1 64 25 7 U H1' H 5.691 0.000 1 65 25 7 U H2' H 4.313 0.005 1 66 25 7 U H3' H 4.632 0.002 1 67 25 7 U H5 H 5.810 0.004 1 68 25 7 U H6 H 7.624 0.000 1 69 25 7 U C1' C 92.818 0.000 1 70 25 7 U C2' C 75.591 0.000 1 71 25 7 U C3' C 76.239 0.000 1 72 25 7 U C5 C 105.228 0.000 1 73 25 7 U C6 C 143.191 0.000 1 74 26 8 U H1' H 5.915 0.007 1 75 26 8 U H2' H 4.376 0.001 1 76 26 8 U H3' H 4.623 0.000 1 77 26 8 U H4' H 4.377 0.007 1 78 26 8 U H5 H 5.919 0.004 1 79 26 8 U H5' H 4.168 0.006 2 80 26 8 U H5'' H 4.093 0.012 2 81 26 8 U H6 H 7.802 0.006 1 82 26 8 U C1' C 91.153 0.000 1 83 26 8 U C2' C 75.217 0.000 1 84 26 8 U C3' C 77.001 0.000 1 85 26 8 U C4' C 85.251 0.000 1 86 26 8 U C5 C 105.624 0.000 1 87 26 8 U C5' C 67.921 0.000 1 88 26 8 U C6 C 143.849 0.000 1 89 27 9 U H1' H 5.813 0.002 1 90 27 9 U H2' H 4.221 0.007 1 91 27 9 U H3' H 4.566 0.000 1 92 27 9 U H4' H 4.236 0.002 1 93 27 9 U H5 H 5.878 0.000 1 94 27 9 U H5' H 3.831 0.000 2 95 27 9 U H5'' H 3.947 0.007 2 96 27 9 U H6 H 7.719 0.008 1 97 27 9 U C1' C 89.791 0.000 1 98 27 9 U C2' C 75.794 0.000 1 99 27 9 U C3' C 77.127 0.000 1 100 27 9 U C4' C 84.927 0.000 1 101 27 9 U C5 C 104.995 0.000 1 102 27 9 U C5' C 67.668 0.002 1 103 27 9 U C6 C 143.960 0.000 1 104 28 10 G H1' H 5.702 0.011 1 105 28 10 G H2' H 4.531 0.013 2 106 28 10 G H3' H 5.029 0.004 1 107 28 10 G H4' H 4.409 0.007 1 108 28 10 G H5' H 4.244 0.006 2 109 28 10 G H8 H 7.827 0.015 1 110 28 10 G C1' C 91.925 0.000 1 111 28 10 G C2' C 75.239 0.000 1 112 28 10 G C3' C 76.774 0.000 1 113 28 10 G C4' C 85.186 0.000 1 114 28 10 G C5' C 68.181 0.000 1 115 28 10 G C8 C 141.623 0.000 1 116 29 11 G H1' H 5.851 0.004 1 117 29 11 G H2' H 5.243 0.002 2 118 29 11 G H3' H 4.895 0.002 1 119 29 11 G H4' H 4.424 0.000 1 120 29 11 G H5' H 3.822 0.002 2 121 29 11 G H5'' H 4.130 0.002 2 122 29 11 G H8 H 8.277 0.003 1 123 29 11 G C1' C 87.796 0.000 1 124 29 11 G C2' C 73.933 0.000 1 125 29 11 G C3' C 79.696 0.000 1 126 29 11 G C4' C 85.830 0.000 1 127 29 11 G C5' C 68.233 0.018 1 128 29 11 G C8 C 138.517 0.000 1 129 30 12 C H1' H 6.069 0.002 1 130 30 12 C H2' H 3.398 0.003 2 131 30 12 C H3' H 3.212 0.003 1 132 30 12 C H4' H 4.411 0.003 1 133 30 12 C H5 H 5.808 0.003 1 134 30 12 C H5' H 4.259 0.003 2 135 30 12 C H5'' H 3.594 0.004 2 136 30 12 C H6 H 7.788 0.004 1 137 30 12 C C1' C 86.855 0.000 1 138 30 12 C C2' C 74.481 0.000 1 139 30 12 C C3' C 74.219 0.000 1 140 30 12 C C4' C 87.662 0.000 1 141 30 12 C C5 C 100.424 0.000 1 142 30 12 C C5' C 68.924 0.041 1 143 30 12 C C6 C 142.854 0.000 1 144 31 13 A H1' H 6.125 0.004 1 145 31 13 A H2 H 8.628 0.003 1 146 31 13 A H2' H 5.379 0.003 2 147 31 13 A H3' H 4.809 0.004 1 148 31 13 A H4' H 4.414 0.001 1 149 31 13 A H5' H 3.973 0.000 2 150 31 13 A H5'' H 4.275 0.000 2 151 31 13 A H8 H 8.720 0.001 1 152 31 13 A C1' C 87.840 0.000 1 153 31 13 A C2 C 156.708 0.000 1 154 31 13 A C2' C 73.171 0.000 1 155 31 13 A C3' C 79.519 0.000 1 156 31 13 A C4' C 87.690 0.000 1 157 31 13 A C5' C 67.301 0.005 1 158 31 13 A C8 C 141.408 0.000 1 159 32 14 U H1' H 5.932 0.005 1 160 32 14 U H2' H 4.227 0.004 1 161 32 14 U H3' H 4.731 0.000 1 162 32 14 U H4' H 4.034 0.005 1 163 32 14 U H5 H 5.771 0.005 1 164 32 14 U H5' H 3.207 0.006 2 165 32 14 U H5'' H 3.832 0.009 2 166 32 14 U H6 H 7.424 0.006 1 167 32 14 U C1' C 88.227 0.000 1 168 32 14 U C2' C 76.106 0.000 1 169 32 14 U C3' C 79.409 0.000 1 170 32 14 U C4' C 86.948 0.000 1 171 32 14 U C5 C 106.436 0.000 1 172 32 14 U C5' C 68.082 0.005 1 173 32 14 U C6 C 143.235 0.000 1 174 33 15 G H1' H 5.844 0.004 1 175 33 15 G H2' H 5.752 0.023 2 176 33 15 G H3' H 5.033 0.004 1 177 33 15 G H4' H 4.740 0.018 1 178 33 15 G H5' H 4.369 0.000 2 179 33 15 G H5'' H 4.491 0.000 2 180 33 15 G H8 H 7.641 0.003 1 181 33 15 G C1' C 91.489 0.000 1 182 33 15 G C2' C 73.238 0.000 1 183 33 15 G C3' C 78.454 0.000 1 184 33 15 G C4' C 86.409 0.000 1 185 33 15 G C5' C 68.099 0.007 1 186 33 15 G C8 C 142.616 0.000 1 187 34 16 A H1' H 6.231 0.008 1 188 34 16 A H2 H 8.082 0.008 1 189 34 16 A H2' H 4.874 0.002 2 190 34 16 A H3' H 4.775 0.010 1 191 34 16 A H4' H 4.716 0.004 1 192 34 16 A H5' H 4.526 0.002 2 193 34 16 A H5'' H 4.447 0.007 2 194 34 16 A H8 H 8.485 0.002 1 195 34 16 A C1' C 89.578 0.000 1 196 34 16 A C2 C 155.224 0.000 1 197 34 16 A C2' C 75.332 0.000 1 198 34 16 A C3' C 75.224 0.000 1 199 34 16 A C4' C 83.414 0.000 1 200 34 16 A C5' C 68.033 0.000 1 201 34 16 A C8 C 142.549 0.000 1 202 35 17 C H1' H 5.262 0.000 1 203 35 17 C H5 H 5.636 0.012 1 204 35 17 C H6 H 7.855 0.006 1 205 35 17 C C1' C 93.675 0.000 1 206 35 17 C C5 C 97.829 0.000 1 207 35 17 C C6 C 141.586 0.000 1 208 36 18 U H1' H 5.615 0.002 1 209 36 18 U H2' H 4.534 0.003 1 210 36 18 U H3' H 4.598 0.005 1 211 36 18 U H4' H 4.478 0.001 1 212 36 18 U H5 H 5.479 0.006 1 213 36 18 U H6 H 8.064 0.007 1 214 36 18 U C1' C 93.859 0.000 1 215 36 18 U C2' C 75.222 0.000 1 216 36 18 U C3' C 72.219 0.000 1 217 36 18 U C4' C 82.061 0.000 1 218 36 18 U C5 C 103.242 0.000 1 219 36 18 U C6 C 142.358 0.000 1 220 37 19 C H1' H 5.620 0.000 1 221 37 19 C H5 H 5.962 0.003 1 222 37 19 C H6 H 8.089 0.002 1 223 37 19 C C1' C 92.932 0.000 1 224 37 19 C C5 C 98.731 0.000 1 225 37 19 C C6 C 142.012 0.000 1 226 38 20 U H1' H 5.590 0.007 1 227 38 20 U H5 H 5.680 0.000 1 228 38 20 U H6 H 7.720 0.000 1 229 38 20 U C5 C 103.858 0.000 1 230 39 21 A H1' H 6.063 0.002 1 231 39 21 A H2 H 7.188 0.018 1 232 39 21 A H2' H 4.489 0.000 2 233 39 21 A H5' H 4.603 0.000 2 234 39 21 A H5'' H 4.200 0.000 2 235 39 21 A H8 H 8.225 0.011 1 236 39 21 A C1' C 92.765 0.000 1 237 39 21 A C2 C 153.436 0.000 1 238 39 21 A C2' C 75.556 0.000 1 239 39 21 A C5' C 65.012 0.000 1 240 39 21 A C8 C 139.774 0.000 1 241 40 22 C H1' H 5.409 0.010 1 242 40 22 C H2' H 4.026 0.004 2 243 40 22 C H3' H 4.428 0.002 1 244 40 22 C H4' H 4.343 0.003 1 245 40 22 C H5 H 5.242 0.006 1 246 40 22 C H6 H 7.556 0.009 1 247 40 22 C C1' C 93.818 0.000 1 248 40 22 C C2' C 75.740 0.000 1 249 40 22 C C3' C 72.163 0.000 1 250 40 22 C C4' C 82.079 0.000 1 251 40 22 C C5 C 97.112 0.000 1 252 40 22 C C6 C 140.972 0.000 1 253 41 23 C H1' H 5.669 0.005 1 254 41 23 C H2' H 3.873 0.006 2 255 41 23 C H3' H 4.150 0.002 1 256 41 23 C H4' H 4.162 0.000 1 257 41 23 C H5 H 5.466 0.004 1 258 41 23 C H5' H 4.515 0.007 2 259 41 23 C H5'' H 4.039 0.003 2 260 41 23 C H6 H 7.647 0.006 1 261 41 23 C C1' C 92.810 0.000 1 262 41 23 C C2' C 77.498 0.000 1 263 41 23 C C3' C 69.660 0.000 1 264 41 23 C C4' C 83.462 0.000 1 265 41 23 C C5 C 97.903 0.000 1 266 41 23 C C5' C 65.107 0.005 1 267 41 23 C C6 C 141.562 0.000 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D F1-, F2-filtered 1H-1H NOESY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Rbfox_RRM _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 1 1 GLY HA2 H 3.892 0.001 2 2 1 1 GLY CA C 43.612 0.028 1 3 2 2 SER HB2 H 3.828 0.001 2 4 2 2 SER CB C 63.960 0.016 1 5 3 3 HIS HA H 4.647 0.002 1 6 3 3 HIS HB2 H 3.137 0.002 2 7 3 3 HIS HB3 H 3.210 0.003 2 8 3 3 HIS HD2 H 7.119 0.000 1 9 3 3 HIS HE1 H 8.144 0.000 1 10 3 3 HIS CA C 56.362 0.020 1 11 3 3 HIS CB C 30.073 0.028 1 12 3 3 HIS CD2 C 120.430 0.000 1 13 3 3 HIS CE1 C 138.224 0.000 1 14 4 4 MET H H 8.346 0.001 1 15 4 4 MET HA H 4.476 0.001 1 16 4 4 MET HB2 H 1.968 0.000 2 17 4 4 MET HB3 H 2.066 0.001 2 18 4 4 MET HG2 H 2.448 0.000 2 19 4 4 MET HG3 H 2.535 0.000 2 20 4 4 MET C C 175.825 0.000 1 21 4 4 MET CA C 55.508 0.009 1 22 4 4 MET CB C 32.911 0.031 1 23 4 4 MET CG C 32.056 0.000 1 24 4 4 MET N N 121.300 0.012 1 25 5 5 ASN H H 8.614 0.003 1 26 5 5 ASN HA H 4.805 0.001 1 27 5 5 ASN HB2 H 2.809 0.000 2 28 5 5 ASN HB3 H 2.889 0.000 2 29 5 5 ASN HD21 H 7.659 0.000 2 30 5 5 ASN HD22 H 6.991 0.000 2 31 5 5 ASN C C 175.647 0.002 1 32 5 5 ASN CA C 53.371 0.018 1 33 5 5 ASN CB C 38.886 0.014 1 34 5 5 ASN N N 120.495 0.027 1 35 5 5 ASN ND2 N 112.975 0.001 1 36 6 6 THR H H 8.193 0.000 1 37 6 6 THR HA H 4.336 0.000 1 38 6 6 THR HB H 4.309 0.000 1 39 6 6 THR HG2 H 1.210 0.001 1 40 6 6 THR C C 174.798 0.011 1 41 6 6 THR CA C 62.138 0.012 1 42 6 6 THR CB C 69.646 0.012 1 43 6 6 THR CG2 C 21.747 0.009 1 44 6 6 THR N N 114.368 0.005 1 45 7 7 GLU H H 8.452 0.001 1 46 7 7 GLU HA H 4.298 0.000 1 47 7 7 GLU HB2 H 1.976 0.000 2 48 7 7 GLU HB3 H 2.081 0.001 2 49 7 7 GLU HG2 H 2.289 0.001 2 50 7 7 GLU HG3 H 2.245 0.000 2 51 7 7 GLU C C 176.272 0.027 1 52 7 7 GLU CA C 56.778 0.019 1 53 7 7 GLU CB C 30.211 0.013 1 54 7 7 GLU CG C 36.488 0.016 1 55 7 7 GLU N N 122.642 0.008 1 56 8 8 ASN H H 8.436 0.002 1 57 8 8 ASN HA H 4.715 0.001 1 58 8 8 ASN HB2 H 2.784 0.000 2 59 8 8 ASN HB3 H 2.898 0.001 2 60 8 8 ASN C C 175.196 0.012 1 61 8 8 ASN CA C 53.300 0.023 1 62 8 8 ASN CB C 38.884 0.013 1 63 8 8 ASN N N 119.817 0.006 1 64 9 9 LYS H H 8.358 0.001 1 65 9 9 LYS HA H 4.398 0.000 1 66 9 9 LYS HB2 H 1.788 0.001 2 67 9 9 LYS HB3 H 1.927 0.000 2 68 9 9 LYS HG2 H 1.471 0.000 2 69 9 9 LYS HD2 H 1.704 0.000 2 70 9 9 LYS HE2 H 3.019 0.000 2 71 9 9 LYS C C 176.667 0.000 1 72 9 9 LYS CA C 56.524 0.001 1 73 9 9 LYS CB C 33.091 0.009 1 74 9 9 LYS CG C 24.931 0.009 1 75 9 9 LYS CD C 29.144 0.001 1 76 9 9 LYS CE C 42.126 0.005 1 77 9 9 LYS N N 121.965 0.001 1 78 10 10 SER H H 8.344 0.001 1 79 10 10 SER HA H 4.550 0.001 1 80 10 10 SER HB2 H 3.948 0.001 2 81 10 10 SER HB3 H 3.952 0.000 2 82 10 10 SER C C 173.801 0.006 1 83 10 10 SER CA C 58.247 0.024 1 84 10 10 SER CB C 64.129 0.010 1 85 10 10 SER N N 117.250 0.004 1 86 11 11 GLN H H 8.642 0.001 1 87 11 11 GLN HA H 4.853 0.000 1 88 11 11 GLN HB2 H 2.208 0.000 2 89 11 11 GLN HB3 H 2.039 0.000 2 90 11 11 GLN HG2 H 2.445 0.000 2 91 11 11 GLN HE21 H 6.919 0.000 2 92 11 11 GLN HE22 H 7.578 0.002 2 93 11 11 GLN C C 172.801 0.000 1 94 11 11 GLN CA C 53.430 0.005 1 95 11 11 GLN CB C 29.872 0.007 1 96 11 11 GLN CG C 33.730 0.000 1 97 11 11 GLN N N 123.124 0.007 1 98 11 11 GLN NE2 N 112.654 0.014 1 99 12 12 PRO HA H 4.681 0.002 1 100 12 12 PRO HB2 H 1.743 0.002 2 101 12 12 PRO HB3 H 2.245 0.000 2 102 12 12 PRO HG2 H 1.953 0.000 2 103 12 12 PRO HD2 H 3.641 0.001 2 104 12 12 PRO HD3 H 3.862 0.001 2 105 12 12 PRO C C 176.685 0.000 1 106 12 12 PRO CA C 63.456 0.011 1 107 12 12 PRO CB C 33.585 0.040 1 108 12 12 PRO CG C 27.276 0.002 1 109 12 12 PRO CD C 50.886 0.029 1 110 13 13 LYS H H 8.164 0.001 1 111 13 13 LYS HA H 4.584 0.001 1 112 13 13 LYS HB2 H 1.575 0.001 2 113 13 13 LYS HB3 H 1.738 0.001 2 114 13 13 LYS HG2 H 1.207 0.001 2 115 13 13 LYS HG3 H 1.483 0.000 2 116 13 13 LYS HD2 H 1.742 0.006 2 117 13 13 LYS HD3 H 1.692 0.000 2 118 13 13 LYS HE2 H 2.908 0.000 2 119 13 13 LYS HE3 H 2.954 0.000 2 120 13 13 LYS C C 172.732 0.007 1 121 13 13 LYS CA C 56.605 0.017 1 122 13 13 LYS CB C 37.211 0.012 1 123 13 13 LYS CG C 26.139 0.007 1 124 13 13 LYS CD C 29.811 0.003 1 125 13 13 LYS CE C 42.227 0.024 1 126 13 13 LYS N N 119.127 0.012 1 127 14 14 ARG H H 9.009 0.001 1 128 14 14 ARG HA H 5.622 0.002 1 129 14 14 ARG HB2 H 1.558 0.002 2 130 14 14 ARG HB3 H 1.953 0.002 2 131 14 14 ARG HG2 H 1.722 0.000 2 132 14 14 ARG HG3 H 1.443 0.000 2 133 14 14 ARG HD2 H 3.090 0.000 2 134 14 14 ARG HD3 H 3.150 0.001 2 135 14 14 ARG HE H 7.771 0.000 1 136 14 14 ARG C C 174.720 0.042 1 137 14 14 ARG CA C 54.449 0.006 1 138 14 14 ARG CB C 33.722 0.009 1 139 14 14 ARG CG C 28.342 0.015 1 140 14 14 ARG CD C 44.741 0.015 1 141 14 14 ARG N N 130.683 0.007 1 142 14 14 ARG NE N 83.614 0.006 1 143 15 15 LEU H H 9.665 0.000 1 144 15 15 LEU HA H 5.182 0.000 1 145 15 15 LEU HB2 H 1.527 0.001 2 146 15 15 LEU HB3 H 1.669 0.005 2 147 15 15 LEU HG H 1.815 0.000 1 148 15 15 LEU HD1 H 0.892 0.000 2 149 15 15 LEU HD2 H 1.051 0.002 2 150 15 15 LEU C C 175.065 0.066 1 151 15 15 LEU CA C 53.339 0.010 1 152 15 15 LEU CB C 44.886 0.014 1 153 15 15 LEU CG C 27.306 0.008 1 154 15 15 LEU CD1 C 22.571 0.011 2 155 15 15 LEU CD2 C 26.732 0.000 2 156 15 15 LEU N N 126.059 0.008 1 157 16 16 HIS H H 9.131 0.001 1 158 16 16 HIS HA H 4.772 0.004 1 159 16 16 HIS HB2 H 2.514 0.002 2 160 16 16 HIS HB3 H 2.955 0.003 2 161 16 16 HIS HD2 H 6.035 0.004 1 162 16 16 HIS HE1 H 7.088 0.003 1 163 16 16 HIS C C 172.577 0.024 1 164 16 16 HIS CA C 54.981 0.015 1 165 16 16 HIS CB C 35.556 0.041 1 166 16 16 HIS CD2 C 116.931 0.095 1 167 16 16 HIS CE1 C 138.264 0.102 1 168 16 16 HIS N N 123.581 0.006 1 169 17 17 VAL H H 8.463 0.002 1 170 17 17 VAL HA H 5.060 0.004 1 171 17 17 VAL HB H 1.664 0.002 1 172 17 17 VAL HG1 H 0.776 0.001 2 173 17 17 VAL HG2 H 0.747 0.002 2 174 17 17 VAL C C 173.566 0.016 1 175 17 17 VAL CA C 58.503 0.011 1 176 17 17 VAL CB C 34.036 0.027 1 177 17 17 VAL CG1 C 20.188 0.006 2 178 17 17 VAL CG2 C 21.606 0.003 2 179 17 17 VAL N N 126.321 0.009 1 180 18 18 SER H H 9.092 0.002 1 181 18 18 SER HA H 4.900 0.001 1 182 18 18 SER HB2 H 2.938 0.004 2 183 18 18 SER HB3 H 3.317 0.036 2 184 18 18 SER C C 173.631 0.000 1 185 18 18 SER CA C 55.645 0.016 1 186 18 18 SER CB C 65.047 0.014 1 187 18 18 SER N N 118.448 0.006 1 188 19 19 ASN H H 7.570 0.001 1 189 19 19 ASN HA H 4.814 0.001 1 190 19 19 ASN HB2 H 2.261 0.001 2 191 19 19 ASN HB3 H 3.496 0.002 2 192 19 19 ASN HD21 H 6.600 0.000 2 193 19 19 ASN HD22 H 7.830 0.000 2 194 19 19 ASN C C 175.037 0.029 1 195 19 19 ASN CA C 53.845 0.022 1 196 19 19 ASN CB C 38.348 0.014 1 197 19 19 ASN N N 119.314 0.008 1 198 19 19 ASN ND2 N 110.462 0.001 1 199 20 20 ILE H H 7.217 0.001 1 200 20 20 ILE HA H 3.977 0.001 1 201 20 20 ILE HB H 1.400 0.003 1 202 20 20 ILE HG12 H 0.634 0.003 2 203 20 20 ILE HG13 H 1.155 0.004 2 204 20 20 ILE HG2 H 0.678 0.004 1 205 20 20 ILE HD1 H 0.671 0.002 1 206 20 20 ILE C C 174.651 0.000 1 207 20 20 ILE CA C 59.270 0.005 1 208 20 20 ILE CB C 36.434 0.012 1 209 20 20 ILE CG1 C 24.702 0.013 1 210 20 20 ILE CG2 C 19.356 0.010 1 211 20 20 ILE CD1 C 14.092 0.012 1 212 20 20 ILE N N 106.717 0.006 1 213 21 21 PRO HA H 4.513 0.002 1 214 21 21 PRO HB2 H 1.381 0.002 2 215 21 21 PRO HB3 H 2.576 0.001 2 216 21 21 PRO HG2 H 1.284 0.000 2 217 21 21 PRO HG3 H 1.619 0.002 2 218 21 21 PRO HD2 H 1.673 0.003 2 219 21 21 PRO HD3 H 3.045 0.002 2 220 21 21 PRO C C 178.419 0.000 1 221 21 21 PRO CA C 63.508 0.016 1 222 21 21 PRO CB C 32.289 0.007 1 223 21 21 PRO CG C 28.690 0.016 1 224 21 21 PRO CD C 49.809 0.008 1 225 22 22 PHE H H 8.903 0.002 1 226 22 22 PHE HA H 4.459 0.003 1 227 22 22 PHE HB2 H 2.808 0.000 2 228 22 22 PHE HB3 H 3.133 0.003 2 229 22 22 PHE HD1 H 6.540 0.004 3 230 22 22 PHE HD2 H 6.540 0.004 3 231 22 22 PHE HE1 H 6.300 0.004 3 232 22 22 PHE HE2 H 6.300 0.004 3 233 22 22 PHE HZ H 6.677 0.004 1 234 22 22 PHE C C 176.671 0.000 1 235 22 22 PHE CA C 57.989 0.029 1 236 22 22 PHE CB C 37.681 0.009 1 237 22 22 PHE CD2 C 128.882 0.045 3 238 22 22 PHE CE2 C 130.526 0.046 3 239 22 22 PHE CZ C 130.260 0.024 1 240 22 22 PHE N N 128.022 0.006 1 241 23 23 ARG H H 8.578 0.002 1 242 23 23 ARG HA H 4.449 0.001 1 243 23 23 ARG HB2 H 1.963 0.000 2 244 23 23 ARG HB3 H 2.087 0.001 2 245 23 23 ARG HG2 H 1.615 0.000 2 246 23 23 ARG HG3 H 1.787 0.004 2 247 23 23 ARG HD2 H 3.265 0.006 2 248 23 23 ARG HD3 H 3.302 0.000 2 249 23 23 ARG HE H 8.418 0.000 1 250 23 23 ARG C C 177.571 0.007 1 251 23 23 ARG CA C 56.875 0.018 1 252 23 23 ARG CB C 29.925 0.007 1 253 23 23 ARG CG C 27.477 0.005 1 254 23 23 ARG CD C 42.981 0.019 1 255 23 23 ARG N N 113.864 0.004 1 256 23 23 ARG NE N 85.013 0.003 1 257 24 24 PHE H H 7.702 0.001 1 258 24 24 PHE HA H 4.568 0.003 1 259 24 24 PHE HB2 H 2.703 0.002 2 260 24 24 PHE HB3 H 3.674 0.001 2 261 24 24 PHE HD1 H 6.918 0.001 3 262 24 24 PHE HD2 H 6.918 0.001 3 263 24 24 PHE HE1 H 7.334 0.001 3 264 24 24 PHE HE2 H 7.334 0.001 3 265 24 24 PHE HZ H 7.616 0.000 1 266 24 24 PHE C C 177.326 0.004 1 267 24 24 PHE CA C 57.798 0.007 1 268 24 24 PHE CB C 38.492 0.021 1 269 24 24 PHE CD1 C 129.305 0.010 3 270 24 24 PHE CE1 C 132.144 0.029 3 271 24 24 PHE N N 119.554 0.007 1 272 25 25 ARG H H 9.850 0.001 1 273 25 25 ARG HA H 4.872 0.001 1 274 25 25 ARG HB2 H 1.840 0.000 2 275 25 25 ARG HB3 H 2.230 0.000 2 276 25 25 ARG HG2 H 1.815 0.000 2 277 25 25 ARG HD2 H 3.319 0.001 2 278 25 25 ARG HD3 H 3.533 0.002 2 279 25 25 ARG HE H 7.610 0.000 1 280 25 25 ARG C C 176.568 0.002 1 281 25 25 ARG CA C 52.851 0.004 1 282 25 25 ARG CB C 33.999 0.008 1 283 25 25 ARG CG C 26.993 0.002 1 284 25 25 ARG CD C 42.483 0.038 1 285 25 25 ARG N N 124.595 0.008 1 286 25 25 ARG NE N 85.036 0.003 1 287 26 26 ASP H H 9.035 0.001 1 288 26 26 ASP HA H 4.252 0.000 1 289 26 26 ASP HB2 H 2.728 0.000 2 290 26 26 ASP HB3 H 2.794 0.000 2 291 26 26 ASP C C 174.870 0.000 1 292 26 26 ASP CA C 59.741 0.016 1 293 26 26 ASP CB C 38.809 0.003 1 294 26 26 ASP N N 121.494 0.009 1 295 27 27 PRO HA H 4.171 0.001 1 296 27 27 PRO HB2 H 1.767 0.000 2 297 27 27 PRO HB3 H 2.316 0.002 2 298 27 27 PRO HG2 H 1.980 0.000 2 299 27 27 PRO HD2 H 3.578 0.000 2 300 27 27 PRO HD3 H 3.803 0.000 2 301 27 27 PRO C C 179.406 0.000 1 302 27 27 PRO CA C 66.402 0.025 1 303 27 27 PRO CB C 31.129 0.022 1 304 27 27 PRO CG C 28.428 0.004 1 305 27 27 PRO CD C 50.936 0.019 1 306 28 28 ASP H H 7.443 0.000 1 307 28 28 ASP HA H 4.056 0.001 1 308 28 28 ASP HB2 H 0.870 0.111 2 309 28 28 ASP HB3 H 1.991 0.000 2 310 28 28 ASP C C 179.308 0.000 1 311 28 28 ASP CA C 57.169 0.007 1 312 28 28 ASP CB C 40.529 0.016 1 313 28 28 ASP N N 115.036 0.007 1 314 29 29 LEU H H 7.324 0.000 1 315 29 29 LEU HA H 4.377 0.001 1 316 29 29 LEU HB2 H 1.408 0.003 2 317 29 29 LEU HB3 H 1.893 0.049 2 318 29 29 LEU HG H 1.680 0.004 1 319 29 29 LEU HD1 H 0.776 0.003 2 320 29 29 LEU HD2 H 0.944 0.001 2 321 29 29 LEU C C 179.235 0.000 1 322 29 29 LEU CA C 57.599 0.023 1 323 29 29 LEU CB C 42.531 0.007 1 324 29 29 LEU CG C 27.691 0.024 1 325 29 29 LEU CD1 C 25.987 0.028 2 326 29 29 LEU CD2 C 23.962 0.021 2 327 29 29 LEU N N 118.011 0.009 1 328 30 30 ARG H H 8.660 0.001 1 329 30 30 ARG HA H 3.756 0.000 1 330 30 30 ARG HB2 H 1.860 0.000 2 331 30 30 ARG HG2 H 1.441 0.000 2 332 30 30 ARG HG3 H 1.612 0.000 2 333 30 30 ARG HD2 H 3.305 0.000 2 334 30 30 ARG HD3 H 3.047 0.000 2 335 30 30 ARG C C 179.357 0.000 1 336 30 30 ARG CA C 61.007 0.021 1 337 30 30 ARG CB C 30.299 0.012 1 338 30 30 ARG CG C 29.866 0.004 1 339 30 30 ARG CD C 43.000 0.041 1 340 30 30 ARG N N 120.032 0.015 1 341 31 31 GLN H H 8.073 0.000 1 342 31 31 GLN HA H 4.057 0.001 1 343 31 31 GLN HB2 H 2.118 0.002 2 344 31 31 GLN HB3 H 2.143 0.000 2 345 31 31 GLN HG2 H 2.392 0.000 2 346 31 31 GLN HG3 H 2.442 0.001 2 347 31 31 GLN HE21 H 6.803 0.000 2 348 31 31 GLN HE22 H 7.376 0.000 2 349 31 31 GLN C C 177.913 0.015 1 350 31 31 GLN CA C 58.708 0.024 1 351 31 31 GLN CB C 28.450 0.009 1 352 31 31 GLN CG C 33.836 0.005 1 353 31 31 GLN N N 118.146 0.008 1 354 31 31 GLN NE2 N 111.477 0.008 1 355 32 32 MET H H 7.377 0.000 1 356 32 32 MET HA H 4.156 0.001 1 357 32 32 MET HB2 H 2.115 0.001 2 358 32 32 MET HB3 H 2.348 0.001 2 359 32 32 MET HG2 H 1.974 0.002 2 360 32 32 MET HG3 H 2.488 0.002 2 361 32 32 MET HE H 2.057 0.004 1 362 32 32 MET C C 177.640 0.021 1 363 32 32 MET CA C 58.821 0.019 1 364 32 32 MET CB C 34.730 0.010 1 365 32 32 MET CG C 31.431 0.006 1 366 32 32 MET CE C 17.666 0.000 1 367 32 32 MET N N 117.433 0.006 1 368 33 33 PHE H H 8.532 0.003 1 369 33 33 PHE HA H 4.580 0.003 1 370 33 33 PHE HB2 H 2.952 0.055 2 371 33 33 PHE HB3 H 3.330 0.054 2 372 33 33 PHE HD1 H 7.622 0.002 3 373 33 33 PHE HD2 H 7.622 0.002 3 374 33 33 PHE HE1 H 7.150 0.002 3 375 33 33 PHE HE2 H 7.150 0.002 3 376 33 33 PHE HZ H 7.021 0.002 1 377 33 33 PHE C C 177.706 0.000 1 378 33 33 PHE CA C 61.577 0.011 1 379 33 33 PHE CB C 39.146 0.017 1 380 33 33 PHE CD1 C 131.645 0.025 3 381 33 33 PHE CE1 C 131.649 0.024 3 382 33 33 PHE CZ C 129.900 0.024 1 383 33 33 PHE N N 113.884 0.008 1 384 34 34 GLY H H 8.406 0.001 1 385 34 34 GLY HA2 H 4.105 0.000 2 386 34 34 GLY HA3 H 4.421 0.002 2 387 34 34 GLY C C 175.241 0.022 1 388 34 34 GLY CA C 46.789 0.012 1 389 34 34 GLY N N 109.052 0.007 1 390 35 35 GLN H H 7.132 0.002 1 391 35 35 GLN HA H 4.111 0.000 1 392 35 35 GLN HB2 H 1.692 0.000 2 393 35 35 GLN HB3 H 1.691 0.000 2 394 35 35 GLN HG2 H 1.525 0.002 2 395 35 35 GLN HG3 H 1.987 0.000 2 396 35 35 GLN HE21 H 7.668 0.001 2 397 35 35 GLN HE22 H 6.910 0.077 2 398 35 35 GLN C C 176.461 0.019 1 399 35 35 GLN CA C 57.116 0.015 1 400 35 35 GLN CB C 28.710 0.012 1 401 35 35 GLN CG C 33.364 0.005 1 402 35 35 GLN N N 116.021 0.006 1 403 35 35 GLN NE2 N 112.731 0.007 1 404 36 36 PHE H H 7.969 0.002 1 405 36 36 PHE HA H 4.422 0.001 1 406 36 36 PHE HB2 H 3.172 0.030 2 407 36 36 PHE HB3 H 3.395 0.021 2 408 36 36 PHE HD1 H 7.434 0.004 3 409 36 36 PHE HD2 H 7.434 0.004 3 410 36 36 PHE HE1 H 7.258 0.002 3 411 36 36 PHE HE2 H 7.258 0.002 3 412 36 36 PHE HZ H 7.146 0.004 1 413 36 36 PHE C C 174.405 0.000 1 414 36 36 PHE CA C 59.497 0.030 1 415 36 36 PHE CB C 40.162 0.008 1 416 36 36 PHE CD1 C 131.963 0.027 3 417 36 36 PHE CE1 C 131.972 0.008 3 418 36 36 PHE CZ C 130.009 0.025 1 419 36 36 PHE N N 115.495 0.006 1 420 37 37 GLY H H 7.376 0.000 1 421 37 37 GLY HA2 H 3.894 0.095 2 422 37 37 GLY HA3 H 4.860 0.002 2 423 37 37 GLY C C 171.558 0.026 1 424 37 37 GLY CA C 44.568 0.019 1 425 37 37 GLY N N 104.884 0.006 1 426 38 38 LYS H H 8.384 0.001 1 427 38 38 LYS HA H 4.191 0.001 1 428 38 38 LYS HB2 H 1.842 0.000 2 429 38 38 LYS HB3 H 1.841 0.000 2 430 38 38 LYS HG2 H 1.246 0.001 2 431 38 38 LYS HG3 H 1.419 0.000 2 432 38 38 LYS HD2 H 1.716 0.000 2 433 38 38 LYS HE2 H 2.897 0.000 2 434 38 38 LYS HE3 H 2.992 0.000 2 435 38 38 LYS C C 176.766 0.044 1 436 38 38 LYS CA C 57.865 0.009 1 437 38 38 LYS CB C 33.047 0.007 1 438 38 38 LYS CG C 25.208 0.005 1 439 38 38 LYS CD C 29.263 0.011 1 440 38 38 LYS CE C 42.237 0.014 1 441 38 38 LYS N N 117.780 0.012 1 442 39 39 ILE H H 8.677 0.001 1 443 39 39 ILE HA H 4.226 0.000 1 444 39 39 ILE HB H 1.696 0.001 1 445 39 39 ILE HG12 H 0.637 0.001 2 446 39 39 ILE HG13 H 1.390 0.001 2 447 39 39 ILE HG2 H 0.552 0.000 1 448 39 39 ILE HD1 H 0.243 0.003 1 449 39 39 ILE C C 176.531 0.013 1 450 39 39 ILE CA C 59.335 0.010 1 451 39 39 ILE CB C 39.538 0.009 1 452 39 39 ILE CG1 C 27.201 0.010 1 453 39 39 ILE CG2 C 18.805 0.007 1 454 39 39 ILE CD1 C 12.794 0.004 1 455 39 39 ILE N N 128.216 0.010 1 456 40 40 LEU H H 8.750 0.000 1 457 40 40 LEU HA H 4.491 0.001 1 458 40 40 LEU HB2 H 1.335 0.001 2 459 40 40 LEU HB3 H 1.591 0.002 2 460 40 40 LEU HG H 1.391 0.000 1 461 40 40 LEU HD1 H 0.873 0.000 2 462 40 40 LEU HD2 H 0.916 0.000 2 463 40 40 LEU C C 176.408 0.000 1 464 40 40 LEU CA C 55.033 0.026 1 465 40 40 LEU CB C 43.472 0.014 1 466 40 40 LEU CG C 27.405 0.000 1 467 40 40 LEU CD1 C 22.226 0.019 2 468 40 40 LEU CD2 C 25.925 0.000 2 469 40 40 LEU N N 124.451 0.008 1 470 41 41 ASP H H 7.303 0.001 1 471 41 41 ASP HA H 4.856 0.001 1 472 41 41 ASP HB2 H 2.227 0.003 2 473 41 41 ASP HB3 H 2.761 0.001 2 474 41 41 ASP C C 173.625 0.024 1 475 41 41 ASP CA C 54.973 0.008 1 476 41 41 ASP CB C 45.693 0.016 1 477 41 41 ASP N N 116.307 0.006 1 478 42 42 VAL H H 7.949 0.001 1 479 42 42 VAL HA H 4.876 0.001 1 480 42 42 VAL HB H 2.011 0.002 1 481 42 42 VAL HG1 H 0.838 0.000 2 482 42 42 VAL HG2 H 0.906 0.002 2 483 42 42 VAL C C 173.871 0.043 1 484 42 42 VAL CA C 61.100 0.011 1 485 42 42 VAL CB C 35.661 0.031 1 486 42 42 VAL CG1 C 21.735 0.013 2 487 42 42 VAL CG2 C 23.149 0.015 2 488 42 42 VAL N N 120.390 0.011 1 489 43 43 GLU H H 8.852 0.001 1 490 43 43 GLU HA H 4.765 0.003 1 491 43 43 GLU HB2 H 2.065 0.004 2 492 43 43 GLU HB3 H 2.184 0.005 2 493 43 43 GLU HG2 H 2.467 0.002 2 494 43 43 GLU HG3 H 2.224 0.002 2 495 43 43 GLU C C 174.113 0.064 1 496 43 43 GLU CA C 56.158 0.029 1 497 43 43 GLU CB C 34.182 0.012 1 498 43 43 GLU CG C 36.049 0.035 1 499 43 43 GLU N N 124.472 0.018 1 500 44 44 ILE H H 9.014 0.002 1 501 44 44 ILE HA H 4.201 0.003 1 502 44 44 ILE HB H 1.760 0.006 1 503 44 44 ILE HG12 H 0.877 0.003 2 504 44 44 ILE HG13 H 1.459 0.002 2 505 44 44 ILE HG2 H 0.385 0.005 1 506 44 44 ILE HD1 H 0.658 0.002 1 507 44 44 ILE C C 173.935 0.035 1 508 44 44 ILE CA C 60.546 0.020 1 509 44 44 ILE CB C 39.203 0.020 1 510 44 44 ILE CG1 C 29.291 0.016 1 511 44 44 ILE CG2 C 17.365 0.023 1 512 44 44 ILE CD1 C 12.875 0.011 1 513 44 44 ILE N N 127.942 0.012 1 514 45 45 ILE H H 7.258 0.001 1 515 45 45 ILE HA H 4.237 0.002 1 516 45 45 ILE HB H 0.757 0.006 1 517 45 45 ILE HG12 H 1.423 0.005 2 518 45 45 ILE HG2 H 0.737 0.004 1 519 45 45 ILE HD1 H 0.959 0.004 1 520 45 45 ILE C C 173.790 0.000 1 521 45 45 ILE CA C 58.292 0.037 1 522 45 45 ILE CB C 34.560 0.028 1 523 45 45 ILE CG1 C 28.853 0.016 1 524 45 45 ILE CG2 C 18.417 0.026 1 525 45 45 ILE CD1 C 9.823 0.031 1 526 45 45 ILE N N 125.325 0.008 1 527 46 46 PHE H H 7.176 0.001 1 528 46 46 PHE HA H 4.665 0.002 1 529 46 46 PHE HB2 H 2.526 0.061 2 530 46 46 PHE HB3 H 1.890 0.090 2 531 46 46 PHE HD1 H 6.810 0.005 3 532 46 46 PHE HD2 H 6.810 0.005 3 533 46 46 PHE HE1 H 6.960 0.002 3 534 46 46 PHE HE2 H 6.960 0.002 3 535 46 46 PHE HZ H 6.875 0.001 1 536 46 46 PHE C C 175.024 0.000 1 537 46 46 PHE CA C 56.090 0.018 1 538 46 46 PHE CB C 43.626 0.019 1 539 46 46 PHE CD2 C 132.297 0.099 3 540 46 46 PHE CE2 C 131.087 0.048 3 541 46 46 PHE CZ C 129.106 0.003 1 542 46 46 PHE N N 124.818 0.004 1 543 47 47 ASN H H 8.603 0.000 1 544 47 47 ASN HA H 4.501 0.003 1 545 47 47 ASN HB2 H 2.813 0.003 2 546 47 47 ASN HB3 H 3.443 0.002 2 547 47 47 ASN HD21 H 7.722 0.000 2 548 47 47 ASN HD22 H 8.541 0.000 2 549 47 47 ASN C C 176.788 0.041 1 550 47 47 ASN CA C 51.847 0.021 1 551 47 47 ASN CB C 39.276 0.025 1 552 47 47 ASN N N 117.274 0.012 1 553 47 47 ASN ND2 N 114.336 0.011 1 554 48 48 GLU H H 9.637 0.002 1 555 48 48 GLU HA H 4.257 0.004 1 556 48 48 GLU HB2 H 2.108 0.006 2 557 48 48 GLU HB3 H 2.191 0.006 2 558 48 48 GLU HG2 H 2.458 0.002 2 559 48 48 GLU HG3 H 2.238 0.002 2 560 48 48 GLU C C 177.020 0.056 1 561 48 48 GLU CA C 59.101 0.024 1 562 48 48 GLU CB C 28.442 0.025 1 563 48 48 GLU CG C 36.079 0.018 1 564 48 48 GLU N N 118.972 0.007 1 565 49 49 ARG H H 7.763 0.001 1 566 49 49 ARG HA H 4.254 0.002 1 567 49 49 ARG HB2 H 1.426 0.002 2 568 49 49 ARG HB3 H 1.685 0.002 2 569 49 49 ARG HG2 H 1.430 0.003 2 570 49 49 ARG HD2 H 2.991 0.007 2 571 49 49 ARG HD3 H 3.071 0.007 2 572 49 49 ARG HE H 6.830 0.000 1 573 49 49 ARG C C 174.710 0.022 1 574 49 49 ARG CA C 55.302 0.016 1 575 49 49 ARG CB C 30.294 0.084 1 576 49 49 ARG CG C 27.444 0.026 1 577 49 49 ARG CD C 43.726 0.030 1 578 49 49 ARG N N 118.265 0.010 1 579 49 49 ARG NE N 83.095 0.003 1 580 50 50 GLY H H 7.657 0.002 1 581 50 50 GLY HA2 H 3.596 0.002 2 582 50 50 GLY HA3 H 4.138 0.053 2 583 50 50 GLY C C 172.860 0.059 1 584 50 50 GLY CA C 43.742 0.053 1 585 50 50 GLY N N 106.507 0.012 1 586 51 51 SER H H 8.246 0.008 1 587 51 51 SER HA H 3.334 0.003 1 588 51 51 SER HB2 H 3.624 0.003 2 589 51 51 SER HB3 H 3.605 0.005 2 590 51 51 SER C C 176.949 0.000 1 591 51 51 SER CA C 58.037 0.020 1 592 51 51 SER CB C 63.987 0.018 1 593 51 51 SER N N 115.160 0.006 1 594 52 52 LYS H H 9.064 0.003 1 595 52 52 LYS HA H 3.811 0.004 1 596 52 52 LYS HB2 H 0.842 0.001 2 597 52 52 LYS HB3 H 1.709 0.000 2 598 52 52 LYS HG2 H 0.538 0.004 2 599 52 52 LYS HG3 H 1.125 0.002 2 600 52 52 LYS HD2 H 1.356 0.003 2 601 52 52 LYS HD3 H 1.446 0.003 2 602 52 52 LYS HE2 H 2.371 0.002 2 603 52 52 LYS HE3 H 2.883 0.000 2 604 52 52 LYS C C 178.453 0.019 1 605 52 52 LYS CA C 57.436 0.017 1 606 52 52 LYS CB C 30.696 0.022 1 607 52 52 LYS CG C 27.066 0.029 1 608 52 52 LYS CD C 28.847 0.006 1 609 52 52 LYS CE C 41.883 0.041 1 610 52 52 LYS N N 123.228 0.006 1 611 53 53 GLY H H 9.437 0.003 1 612 53 53 GLY HA2 H 3.252 0.002 2 613 53 53 GLY HA3 H 4.564 0.003 2 614 53 53 GLY C C 173.395 0.040 1 615 53 53 GLY CA C 46.523 0.019 1 616 53 53 GLY N N 107.475 0.011 1 617 54 54 PHE H H 7.288 0.001 1 618 54 54 PHE HA H 5.278 0.001 1 619 54 54 PHE HB2 H 3.165 0.000 2 620 54 54 PHE HB3 H 3.409 0.001 2 621 54 54 PHE HD1 H 6.907 0.003 3 622 54 54 PHE HD2 H 6.907 0.003 3 623 54 54 PHE HE1 H 7.358 0.006 3 624 54 54 PHE HE2 H 7.358 0.006 3 625 54 54 PHE HZ H 7.441 0.003 1 626 54 54 PHE C C 171.294 0.000 1 627 54 54 PHE CA C 55.336 0.023 1 628 54 54 PHE CB C 42.138 0.016 1 629 54 54 PHE CD2 C 133.009 0.050 3 630 54 54 PHE CE2 C 132.175 0.076 3 631 54 54 PHE CZ C 129.521 0.043 1 632 54 54 PHE N N 113.084 0.008 1 633 55 55 GLY H H 8.802 0.001 1 634 55 55 GLY HA2 H 3.947 0.001 2 635 55 55 GLY HA3 H 4.162 0.001 2 636 55 55 GLY C C 169.764 0.000 1 637 55 55 GLY CA C 45.836 0.029 1 638 55 55 GLY N N 105.336 0.006 1 639 56 56 PHE H H 9.106 0.003 1 640 56 56 PHE HA H 5.796 0.001 1 641 56 56 PHE HB2 H 2.678 0.002 2 642 56 56 PHE HB3 H 3.063 0.002 2 643 56 56 PHE HD1 H 6.845 0.003 3 644 56 56 PHE HD2 H 6.845 0.003 3 645 56 56 PHE C C 175.012 0.020 1 646 56 56 PHE CA C 56.229 0.013 1 647 56 56 PHE CB C 43.753 0.025 1 648 56 56 PHE CD1 C 128.814 0.026 3 649 56 56 PHE N N 116.600 0.008 1 650 57 57 VAL H H 8.571 0.003 1 651 57 57 VAL HA H 4.760 0.002 1 652 57 57 VAL HB H 1.382 0.004 1 653 57 57 VAL HG1 H 0.241 0.005 2 654 57 57 VAL HG2 H 0.298 0.003 2 655 57 57 VAL C C 174.907 0.005 1 656 57 57 VAL CA C 60.319 0.007 1 657 57 57 VAL CB C 36.613 0.013 1 658 57 57 VAL CG1 C 20.761 0.030 2 659 57 57 VAL CG2 C 21.364 0.008 2 660 57 57 VAL N N 116.793 0.016 1 661 58 58 THR H H 9.182 0.001 1 662 58 58 THR HA H 5.037 0.000 1 663 58 58 THR HB H 3.951 0.000 1 664 58 58 THR HG2 H 1.163 0.001 1 665 58 58 THR C C 174.422 0.000 1 666 58 58 THR CA C 62.013 0.019 1 667 58 58 THR CB C 69.737 0.006 1 668 58 58 THR CG2 C 24.079 0.006 1 669 58 58 THR N N 123.072 0.009 1 670 59 59 PHE H H 9.261 0.002 1 671 59 59 PHE HA H 4.857 0.002 1 672 59 59 PHE HB2 H 2.850 0.081 2 673 59 59 PHE HB3 H 3.679 0.081 2 674 59 59 PHE HD1 H 7.293 0.007 3 675 59 59 PHE HD2 H 7.293 0.007 3 676 59 59 PHE HE1 H 7.195 0.003 3 677 59 59 PHE HE2 H 7.195 0.003 3 678 59 59 PHE HZ H 7.648 0.002 1 679 59 59 PHE C C 174.877 0.059 1 680 59 59 PHE CA C 58.118 0.008 1 681 59 59 PHE CB C 41.273 0.014 1 682 59 59 PHE CD1 C 131.882 0.037 3 683 59 59 PHE CE1 C 131.671 0.024 3 684 59 59 PHE CZ C 130.115 0.028 1 685 59 59 PHE N N 128.554 0.005 1 686 60 60 GLU H H 8.008 0.002 1 687 60 60 GLU HA H 3.858 0.001 1 688 60 60 GLU HB2 H 1.766 0.001 2 689 60 60 GLU HB3 H 2.257 0.000 2 690 60 60 GLU HG2 H 2.245 0.002 2 691 60 60 GLU C C 174.493 0.000 1 692 60 60 GLU CA C 59.729 0.011 1 693 60 60 GLU CB C 30.878 0.007 1 694 60 60 GLU CG C 37.554 0.008 1 695 60 60 GLU N N 121.327 0.010 1 696 61 61 ASN H H 9.370 0.000 1 697 61 61 ASN HA H 5.092 0.001 1 698 61 61 ASN HB2 H 2.841 0.000 2 699 61 61 ASN HB3 H 3.009 0.001 2 700 61 61 ASN HD21 H 7.168 0.000 2 701 61 61 ASN HD22 H 7.669 0.000 2 702 61 61 ASN C C 176.612 0.017 1 703 61 61 ASN CA C 51.555 0.013 1 704 61 61 ASN CB C 40.731 0.038 1 705 61 61 ASN N N 113.873 0.005 1 706 61 61 ASN ND2 N 114.685 0.009 1 707 62 62 SER H H 8.913 0.001 1 708 62 62 SER HA H 3.988 0.000 1 709 62 62 SER HB2 H 3.994 0.000 2 710 62 62 SER HB3 H 3.990 0.000 2 711 62 62 SER C C 175.038 0.000 1 712 62 62 SER CA C 62.092 0.010 1 713 62 62 SER CB C 63.201 0.011 1 714 62 62 SER N N 122.424 0.006 1 715 63 63 ALA H H 8.404 0.000 1 716 63 63 ALA HA H 4.177 0.001 1 717 63 63 ALA HB H 1.465 0.001 1 718 63 63 ALA C C 180.732 0.005 1 719 63 63 ALA CA C 55.183 0.003 1 720 63 63 ALA CB C 18.330 0.012 1 721 63 63 ALA N N 123.229 0.010 1 722 64 64 ASP H H 7.332 0.000 1 723 64 64 ASP HA H 4.371 0.003 1 724 64 64 ASP HB2 H 2.763 0.025 2 725 64 64 ASP HB3 H 3.032 0.003 2 726 64 64 ASP C C 176.928 0.008 1 727 64 64 ASP CA C 56.775 0.027 1 728 64 64 ASP CB C 40.527 0.022 1 729 64 64 ASP N N 119.380 0.007 1 730 65 65 ALA H H 6.823 0.001 1 731 65 65 ALA HA H 2.878 0.002 1 732 65 65 ALA HB H 1.354 0.001 1 733 65 65 ALA C C 178.725 0.022 1 734 65 65 ALA CA C 54.241 0.011 1 735 65 65 ALA CB C 18.532 0.007 1 736 65 65 ALA N N 120.883 0.009 1 737 66 66 ASP H H 8.010 0.002 1 738 66 66 ASP HA H 4.254 0.001 1 739 66 66 ASP HB2 H 2.648 0.000 2 740 66 66 ASP HB3 H 2.648 0.000 2 741 66 66 ASP C C 178.931 0.042 1 742 66 66 ASP CA C 57.487 0.018 1 743 66 66 ASP CB C 39.751 0.006 1 744 66 66 ASP N N 117.162 0.006 1 745 67 67 ARG H H 7.527 0.000 1 746 67 67 ARG HA H 3.997 0.000 1 747 67 67 ARG HB2 H 1.923 0.000 2 748 67 67 ARG HB3 H 2.071 0.001 2 749 67 67 ARG HG2 H 1.704 0.001 2 750 67 67 ARG HG3 H 1.823 0.000 2 751 67 67 ARG HD2 H 3.374 0.005 2 752 67 67 ARG HD3 H 3.422 0.000 2 753 67 67 ARG C C 177.810 0.041 1 754 67 67 ARG CA C 59.436 0.011 1 755 67 67 ARG CB C 30.597 0.008 1 756 67 67 ARG CG C 28.851 0.015 1 757 67 67 ARG CD C 43.446 0.011 1 758 67 67 ARG N N 121.256 0.008 1 759 68 68 ALA H H 7.863 0.000 1 760 68 68 ALA HA H 2.175 0.003 1 761 68 68 ALA HB H 1.125 0.003 1 762 68 68 ALA C C 178.980 0.001 1 763 68 68 ALA CA C 54.527 0.016 1 764 68 68 ALA CB C 19.779 0.018 1 765 68 68 ALA N N 121.499 0.009 1 766 69 69 ARG H H 8.273 0.000 1 767 69 69 ARG HA H 3.638 0.001 1 768 69 69 ARG HB2 H 1.949 0.000 2 769 69 69 ARG HB3 H 1.672 0.001 2 770 69 69 ARG HG2 H 1.491 0.000 2 771 69 69 ARG HG3 H 1.403 0.001 2 772 69 69 ARG HD2 H 3.004 0.000 2 773 69 69 ARG HE H 7.253 0.000 1 774 69 69 ARG C C 177.680 0.012 1 775 69 69 ARG CA C 60.629 0.013 1 776 69 69 ARG CB C 29.890 0.017 1 777 69 69 ARG CG C 27.471 0.003 1 778 69 69 ARG CD C 43.507 0.003 1 779 69 69 ARG N N 116.943 0.007 1 780 69 69 ARG NE N 84.261 0.003 1 781 70 70 GLU H H 7.719 0.001 1 782 70 70 GLU HA H 3.944 0.000 1 783 70 70 GLU HB2 H 2.060 0.003 2 784 70 70 GLU HB3 H 2.095 0.000 2 785 70 70 GLU HG2 H 2.361 0.001 2 786 70 70 GLU HG3 H 2.238 0.000 2 787 70 70 GLU C C 178.960 0.000 1 788 70 70 GLU CA C 59.042 0.002 1 789 70 70 GLU CB C 29.744 0.003 1 790 70 70 GLU CG C 36.252 0.017 1 791 70 70 GLU N N 116.392 0.009 1 792 71 71 LYS H H 7.772 0.001 1 793 71 71 LYS HA H 4.248 0.002 1 794 71 71 LYS HB2 H 1.772 0.002 2 795 71 71 LYS HB3 H 1.755 0.000 2 796 71 71 LYS HG2 H 1.640 0.001 2 797 71 71 LYS HG3 H 1.530 0.000 2 798 71 71 LYS HD2 H 1.741 0.005 2 799 71 71 LYS HE2 H 3.000 0.000 2 800 71 71 LYS HE3 H 3.064 0.000 2 801 71 71 LYS C C 178.481 0.026 1 802 71 71 LYS CA C 56.829 0.002 1 803 71 71 LYS CB C 32.865 0.009 1 804 71 71 LYS CG C 24.949 0.012 1 805 71 71 LYS CD C 28.221 0.018 1 806 71 71 LYS CE C 42.283 0.009 1 807 71 71 LYS N N 115.449 0.008 1 808 72 72 LEU H H 8.253 0.002 1 809 72 72 LEU HA H 4.440 0.000 1 810 72 72 LEU HB2 H 1.055 0.001 2 811 72 72 LEU HB3 H 1.728 0.000 2 812 72 72 LEU HG H 1.451 0.000 1 813 72 72 LEU HD1 H 0.771 0.003 2 814 72 72 LEU HD2 H 0.116 0.002 2 815 72 72 LEU C C 179.287 0.001 1 816 72 72 LEU CA C 55.337 0.008 1 817 72 72 LEU CB C 43.891 0.024 1 818 72 72 LEU CG C 26.671 0.009 1 819 72 72 LEU CD1 C 22.318 0.005 2 820 72 72 LEU CD2 C 26.129 0.002 2 821 72 72 LEU N N 115.267 0.006 1 822 73 73 HIS H H 8.138 0.001 1 823 73 73 HIS HA H 4.144 0.003 1 824 73 73 HIS HB2 H 3.156 0.002 2 825 73 73 HIS HB3 H 3.348 0.003 2 826 73 73 HIS HD2 H 6.923 0.008 1 827 73 73 HIS HE1 H 7.734 0.002 1 828 73 73 HIS C C 177.176 0.031 1 829 73 73 HIS CA C 60.615 0.003 1 830 73 73 HIS CB C 31.191 0.017 1 831 73 73 HIS CD2 C 118.039 0.016 1 832 73 73 HIS CE1 C 139.114 0.026 1 833 73 73 HIS N N 120.609 0.016 1 834 74 74 GLY H H 8.068 0.001 1 835 74 74 GLY HA2 H 3.311 0.058 2 836 74 74 GLY HA3 H 3.880 0.002 2 837 74 74 GLY C C 174.196 0.000 1 838 74 74 GLY CA C 45.448 0.028 1 839 74 74 GLY N N 115.858 0.008 1 840 75 75 THR H H 7.578 0.000 1 841 75 75 THR HA H 4.273 0.000 1 842 75 75 THR HB H 4.117 0.001 1 843 75 75 THR HG2 H 1.225 0.001 1 844 75 75 THR C C 172.381 0.009 1 845 75 75 THR CA C 62.154 0.022 1 846 75 75 THR CB C 70.618 0.020 1 847 75 75 THR CG2 C 22.445 0.007 1 848 75 75 THR N N 112.811 0.003 1 849 76 76 VAL H H 8.267 0.002 1 850 76 76 VAL HA H 4.498 0.001 1 851 76 76 VAL HB H 1.820 0.000 1 852 76 76 VAL HG1 H 0.591 0.001 2 853 76 76 VAL HG2 H 0.768 0.000 2 854 76 76 VAL C C 176.481 0.000 1 855 76 76 VAL CA C 61.906 0.027 1 856 76 76 VAL CB C 31.898 0.020 1 857 76 76 VAL CG1 C 21.165 0.008 2 858 76 76 VAL CG2 C 21.551 0.014 2 859 76 76 VAL N N 121.084 0.007 1 860 77 77 VAL H H 9.145 0.001 1 861 77 77 VAL HA H 4.182 0.000 1 862 77 77 VAL HB H 1.799 0.002 1 863 77 77 VAL HG2 H 0.868 0.003 2 864 77 77 VAL C C 174.603 0.015 1 865 77 77 VAL CA C 61.205 0.004 1 866 77 77 VAL CB C 34.255 0.014 1 867 77 77 VAL CG2 C 21.619 0.004 2 868 77 77 VAL N N 130.065 0.008 1 869 78 78 GLU H H 9.303 0.001 1 870 78 78 GLU HA H 3.740 0.001 1 871 78 78 GLU HB2 H 1.819 0.000 2 872 78 78 GLU HB3 H 2.120 0.001 2 873 78 78 GLU HG2 H 2.292 0.005 2 874 78 78 GLU C C 176.683 0.008 1 875 78 78 GLU CA C 56.995 0.022 1 876 78 78 GLU CB C 27.185 0.026 1 877 78 78 GLU CG C 36.836 0.009 1 878 78 78 GLU N N 125.713 0.006 1 879 79 79 GLY H H 7.998 0.001 1 880 79 79 GLY HA2 H 3.363 0.001 2 881 79 79 GLY HA3 H 4.041 0.002 2 882 79 79 GLY C C 173.881 0.008 1 883 79 79 GLY CA C 45.232 0.028 1 884 79 79 GLY N N 101.912 0.006 1 885 80 80 ARG H H 7.864 0.000 1 886 80 80 ARG HA H 4.292 0.001 1 887 80 80 ARG HB2 H 1.641 0.007 2 888 80 80 ARG HB3 H 1.688 0.000 2 889 80 80 ARG HG2 H 1.127 0.000 2 890 80 80 ARG HG3 H 1.327 0.002 2 891 80 80 ARG HD2 H 2.258 0.002 2 892 80 80 ARG HD3 H 2.830 0.000 2 893 80 80 ARG HE H 5.875 0.000 1 894 80 80 ARG C C 173.946 0.000 1 895 80 80 ARG CA C 55.051 0.027 1 896 80 80 ARG CB C 31.342 0.005 1 897 80 80 ARG CG C 27.133 0.013 1 898 80 80 ARG CD C 41.743 0.017 1 899 80 80 ARG N N 120.724 0.009 1 900 80 80 ARG NE N 79.059 0.006 1 901 81 81 LYS H H 8.422 0.002 1 902 81 81 LYS HA H 4.435 0.000 1 903 81 81 LYS HB2 H 1.443 0.000 2 904 81 81 LYS HB3 H 1.575 0.001 2 905 81 81 LYS HG2 H 1.033 0.003 2 906 81 81 LYS HG3 H 1.103 0.000 2 907 81 81 LYS HD2 H 1.531 0.001 2 908 81 81 LYS HE2 H 2.845 0.001 2 909 81 81 LYS C C 176.683 0.039 1 910 81 81 LYS CA C 55.929 0.007 1 911 81 81 LYS CB C 32.105 0.007 1 912 81 81 LYS CG C 24.648 0.006 1 913 81 81 LYS CD C 29.392 0.013 1 914 81 81 LYS CE C 41.473 0.018 1 915 81 81 LYS N N 123.857 0.014 1 916 82 82 ILE H H 8.887 0.001 1 917 82 82 ILE HA H 4.523 0.004 1 918 82 82 ILE HB H 1.828 0.001 1 919 82 82 ILE HG12 H 1.225 0.002 2 920 82 82 ILE HG13 H 1.468 0.002 2 921 82 82 ILE HG2 H 0.706 0.003 1 922 82 82 ILE HD1 H 0.577 0.001 1 923 82 82 ILE C C 175.707 0.008 1 924 82 82 ILE CA C 61.258 0.020 1 925 82 82 ILE CB C 39.383 0.018 1 926 82 82 ILE CG1 C 25.808 0.021 1 927 82 82 ILE CG2 C 17.998 0.005 1 928 82 82 ILE CD1 C 13.985 0.006 1 929 82 82 ILE N N 126.488 0.008 1 930 83 83 GLU H H 7.977 0.000 1 931 83 83 GLU HA H 5.139 0.004 1 932 83 83 GLU HB2 H 1.661 0.002 2 933 83 83 GLU HB3 H 1.926 0.002 2 934 83 83 GLU HG2 H 2.055 0.002 2 935 83 83 GLU C C 175.792 0.000 1 936 83 83 GLU CA C 53.528 0.011 1 937 83 83 GLU CB C 32.631 0.019 1 938 83 83 GLU CG C 35.703 0.019 1 939 83 83 GLU N N 121.646 0.009 1 940 84 84 VAL H H 11.519 0.001 1 941 84 84 VAL HA H 5.059 0.004 1 942 84 84 VAL HB H 2.188 0.001 1 943 84 84 VAL HG1 H 1.008 0.003 2 944 84 84 VAL HG2 H 1.041 0.005 2 945 84 84 VAL C C 173.093 0.032 1 946 84 84 VAL CA C 61.645 0.011 1 947 84 84 VAL CB C 34.007 0.033 1 948 84 84 VAL CG1 C 21.827 0.002 2 949 84 84 VAL CG2 C 24.679 0.001 2 950 84 84 VAL N N 127.418 0.006 1 951 85 85 ASN H H 9.559 0.001 1 952 85 85 ASN HA H 4.999 0.000 1 953 85 85 ASN HB2 H 2.676 0.000 2 954 85 85 ASN HB3 H 3.055 0.001 2 955 85 85 ASN HD21 H 9.050 0.000 2 956 85 85 ASN HD22 H 7.192 0.000 2 957 85 85 ASN C C 175.618 0.028 1 958 85 85 ASN CA C 51.235 0.020 1 959 85 85 ASN CB C 44.683 0.018 1 960 85 85 ASN N N 124.383 0.009 1 961 85 85 ASN ND2 N 118.567 0.000 1 962 86 86 ASN H H 9.035 0.001 1 963 86 86 ASN HA H 4.891 0.000 1 964 86 86 ASN HB2 H 2.700 0.000 2 965 86 86 ASN HB3 H 2.912 0.002 2 966 86 86 ASN HD21 H 6.884 0.002 2 967 86 86 ASN HD22 H 7.550 0.000 2 968 86 86 ASN C C 176.632 0.020 1 969 86 86 ASN CA C 55.171 0.008 1 970 86 86 ASN CB C 38.261 0.023 1 971 86 86 ASN N N 119.202 0.007 1 972 86 86 ASN ND2 N 111.527 0.006 1 973 87 87 ALA H H 8.557 0.002 1 974 87 87 ALA HA H 5.226 0.002 1 975 87 87 ALA HB H 1.532 0.002 1 976 87 87 ALA C C 178.865 0.027 1 977 87 87 ALA CA C 52.145 0.024 1 978 87 87 ALA CB C 19.308 0.020 1 979 87 87 ALA N N 125.729 0.010 1 980 88 88 THR H H 8.640 0.001 1 981 88 88 THR HA H 4.280 0.002 1 982 88 88 THR HB H 4.298 0.003 1 983 88 88 THR HG2 H 1.111 0.001 1 984 88 88 THR C C 175.024 0.026 1 985 88 88 THR CA C 60.615 0.027 1 986 88 88 THR CB C 70.124 0.011 1 987 88 88 THR CG2 C 22.364 0.017 1 988 88 88 THR N N 117.302 0.012 1 989 89 89 ALA H H 8.693 0.001 1 990 89 89 ALA HA H 4.234 0.001 1 991 89 89 ALA HB H 1.341 0.001 1 992 89 89 ALA C C 177.433 0.004 1 993 89 89 ALA CA C 52.807 0.026 1 994 89 89 ALA CB C 18.724 0.017 1 995 89 89 ALA N N 126.543 0.013 1 996 90 90 ARG H H 8.278 0.002 1 997 90 90 ARG HA H 4.055 0.002 1 998 90 90 ARG HB2 H 1.189 0.003 2 999 90 90 ARG HB3 H 1.365 0.003 2 1000 90 90 ARG HG2 H 0.955 0.004 2 1001 90 90 ARG HG3 H 1.074 0.005 2 1002 90 90 ARG HD2 H 2.514 0.005 2 1003 90 90 ARG HD3 H 2.622 0.007 2 1004 90 90 ARG HE H 6.616 0.000 1 1005 90 90 ARG C C 176.350 0.000 1 1006 90 90 ARG CA C 55.841 0.021 1 1007 90 90 ARG CB C 31.447 0.024 1 1008 90 90 ARG CG C 26.962 0.022 1 1009 90 90 ARG CD C 43.697 0.018 1 1010 90 90 ARG N N 122.114 0.014 1 1011 90 90 ARG NE N 84.021 0.003 1 1012 91 91 VAL H H 8.718 0.002 1 1013 91 91 VAL HA H 3.963 0.000 1 1014 91 91 VAL HB H 2.009 0.001 1 1015 91 91 VAL HG1 H 0.903 0.000 2 1016 91 91 VAL HG2 H 0.960 0.001 2 1017 91 91 VAL C C 176.350 0.000 1 1018 91 91 VAL CA C 63.044 0.020 1 1019 91 91 VAL CB C 32.459 0.023 1 1020 91 91 VAL CG1 C 21.320 0.021 2 1021 91 91 VAL CG2 C 21.168 0.010 2 1022 91 91 VAL N N 124.730 0.006 1 1023 92 92 MET H H 8.475 0.002 1 1024 92 92 MET HA H 4.573 0.001 1 1025 92 92 MET HB2 H 2.060 0.000 2 1026 92 92 MET HB3 H 1.978 0.000 2 1027 92 92 MET HG2 H 2.469 0.001 2 1028 92 92 MET HG3 H 2.562 0.004 2 1029 92 92 MET C C 176.271 0.000 1 1030 92 92 MET CA C 55.097 0.006 1 1031 92 92 MET CB C 32.644 0.007 1 1032 92 92 MET CG C 32.113 0.021 1 1033 92 92 MET N N 124.900 0.005 1 1034 93 93 THR H H 8.160 0.001 1 1035 93 93 THR HA H 4.300 0.000 1 1036 93 93 THR HB H 4.205 0.000 1 1037 93 93 THR HG2 H 1.177 0.001 1 1038 93 93 THR C C 174.184 0.001 1 1039 93 93 THR CA C 61.837 0.011 1 1040 93 93 THR CB C 69.845 0.011 1 1041 93 93 THR CG2 C 21.711 0.019 1 1042 93 93 THR N N 115.843 0.007 1 1043 94 94 ASN H H 8.500 0.000 1 1044 94 94 ASN HA H 4.714 0.000 1 1045 94 94 ASN HB2 H 2.818 0.000 2 1046 94 94 ASN HB3 H 2.814 0.000 2 1047 94 94 ASN C C 175.236 0.008 1 1048 94 94 ASN CA C 53.346 0.026 1 1049 94 94 ASN CB C 38.856 0.050 1 1050 94 94 ASN N N 120.976 0.011 1 1051 95 95 LYS H H 8.291 0.000 1 1052 95 95 LYS HA H 4.291 0.000 1 1053 95 95 LYS HB2 H 1.786 0.000 2 1054 95 95 LYS HB3 H 1.836 0.000 2 1055 95 95 LYS HG2 H 1.442 0.000 2 1056 95 95 LYS HD2 H 1.705 0.000 2 1057 95 95 LYS HE2 H 3.013 0.000 2 1058 95 95 LYS C C 176.696 0.000 1 1059 95 95 LYS CA C 56.720 0.024 1 1060 95 95 LYS CB C 33.093 0.046 1 1061 95 95 LYS CG C 24.984 0.003 1 1062 95 95 LYS CD C 29.181 0.020 1 1063 95 95 LYS CE C 42.134 0.014 1 1064 95 95 LYS N N 122.037 0.005 1 1065 96 96 LYS H H 8.379 0.001 1 1066 96 96 LYS HA H 4.342 0.000 1 1067 96 96 LYS HB2 H 1.784 0.000 2 1068 96 96 LYS HB3 H 1.847 0.000 2 1069 96 96 LYS HG2 H 1.420 0.000 2 1070 96 96 LYS HD2 H 1.708 0.000 2 1071 96 96 LYS HE2 H 3.017 0.000 2 1072 96 96 LYS C C 176.828 0.000 1 1073 96 96 LYS CA C 56.669 0.019 1 1074 96 96 LYS CB C 33.056 0.003 1 1075 96 96 LYS CG C 25.048 0.005 1 1076 96 96 LYS CD C 29.263 0.003 1 1077 96 96 LYS CE C 42.211 0.021 1 1078 96 96 LYS N N 122.355 0.015 1 1079 97 97 THR H H 8.121 0.001 1 1080 97 97 THR HA H 4.293 0.000 1 1081 97 97 THR HB H 4.151 0.001 1 1082 97 97 THR HG2 H 1.170 0.000 1 1083 97 97 THR C C 174.328 0.051 1 1084 97 97 THR CA C 62.020 0.011 1 1085 97 97 THR CB C 69.852 0.008 1 1086 97 97 THR CG2 C 21.649 0.007 1 1087 97 97 THR N N 115.854 0.010 1 1088 98 98 VAL H H 8.056 0.001 1 1089 98 98 VAL HA H 4.033 0.003 1 1090 98 98 VAL HB H 1.975 0.000 1 1091 98 98 VAL HG1 H 0.819 0.003 2 1092 98 98 VAL HG2 H 0.863 0.001 2 1093 98 98 VAL C C 175.244 0.020 1 1094 98 98 VAL CA C 62.076 0.006 1 1095 98 98 VAL CB C 32.894 0.013 1 1096 98 98 VAL CG1 C 21.223 0.009 2 1097 98 98 VAL CG2 C 20.731 0.004 2 1098 98 98 VAL N N 122.262 0.003 1 1099 99 99 ASN H H 8.449 0.001 1 1100 99 99 ASN HA H 4.858 0.000 1 1101 99 99 ASN HB2 H 2.611 0.004 2 1102 99 99 ASN HB3 H 2.826 0.000 2 1103 99 99 ASN HD21 H 7.555 0.000 2 1104 99 99 ASN HD22 H 6.868 0.000 2 1105 99 99 ASN C C 173.723 0.000 1 1106 99 99 ASN CA C 50.921 0.006 1 1107 99 99 ASN CB C 39.004 0.022 1 1108 99 99 ASN N N 123.993 0.011 1 1109 99 99 ASN ND2 N 112.533 0.001 1 1110 100 100 PRO HA H 4.287 0.001 1 1111 100 100 PRO HB2 H 1.519 0.053 2 1112 100 100 PRO HB3 H 2.048 0.001 2 1113 100 100 PRO HG2 H 1.769 0.002 2 1114 100 100 PRO HG3 H 1.491 0.001 2 1115 100 100 PRO HD2 H 3.574 0.001 2 1116 100 100 PRO HD3 H 3.724 0.002 2 1117 100 100 PRO C C 176.752 0.000 1 1118 100 100 PRO CA C 63.417 0.003 1 1119 100 100 PRO CB C 32.012 0.005 1 1120 100 100 PRO CG C 26.666 0.009 1 1121 100 100 PRO CD C 50.756 0.016 1 1122 101 101 TYR H H 8.006 0.001 1 1123 101 101 TYR HA H 4.420 0.002 1 1124 101 101 TYR HB2 H 2.608 0.028 2 1125 101 101 TYR HB3 H 2.852 0.023 2 1126 101 101 TYR HD1 H 6.958 0.005 3 1127 101 101 TYR HD2 H 6.958 0.005 3 1128 101 101 TYR HE1 H 6.649 0.005 3 1129 101 101 TYR HE2 H 6.649 0.005 3 1130 101 101 TYR C C 176.021 0.000 1 1131 101 101 TYR CA C 58.118 0.007 1 1132 101 101 TYR CB C 38.095 0.073 1 1133 101 101 TYR CD2 C 133.289 0.014 3 1134 101 101 TYR CE2 C 118.369 0.135 3 1135 101 101 TYR N N 118.988 0.006 1 1136 102 102 THR H H 7.592 0.002 1 1137 102 102 THR HA H 4.166 0.004 1 1138 102 102 THR HB H 4.146 0.003 1 1139 102 102 THR HG2 H 1.068 0.002 1 1140 102 102 THR C C 173.971 0.015 1 1141 102 102 THR CA C 61.622 0.016 1 1142 102 102 THR CB C 69.957 0.043 1 1143 102 102 THR CG2 C 21.343 0.012 1 1144 102 102 THR N N 113.853 0.006 1 1145 103 103 ASN H H 8.236 0.000 1 1146 103 103 ASN HA H 4.731 0.002 1 1147 103 103 ASN HB2 H 2.688 0.001 2 1148 103 103 ASN HB3 H 2.842 0.000 2 1149 103 103 ASN HD21 H 7.595 0.000 2 1150 103 103 ASN HD22 H 6.889 0.000 2 1151 103 103 ASN C C 174.521 0.028 1 1152 103 103 ASN CA C 53.440 0.010 1 1153 103 103 ASN CB C 39.304 0.012 1 1154 103 103 ASN N N 120.968 0.004 1 1155 103 103 ASN ND2 N 113.040 0.001 1 1156 104 104 GLY H H 7.932 0.001 1 1157 104 104 GLY HA2 H 3.735 0.002 2 1158 104 104 GLY C C 178.961 0.000 1 1159 104 104 GLY CA C 46.250 0.008 1 1160 104 104 GLY N N 115.435 0.007 1 stop_ save_