data_34080 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; hnRNP A1 RRM2 in complex with 5'-UCAGUU-3' RNA ; _BMRB_accession_number 34080 _BMRB_flat_file_name bmr34080.str _Entry_type original _Submission_date 2016-12-16 _Accession_date 2016-12-16 _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 Barraud P. . . 2 Allain F. H.-T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 560 "13C chemical shifts" 293 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-07-05 update author 'update entry citation' 2017-06-30 original author 'original release' stop_ _Original_release_date 2016-12-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Tandem hnRNP A1 RNA recognition motifs act in concert to repress the splicing of survival motor neuron exon 7 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28650318 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Beusch Irene . . 2 Barraud Pierre . . 3 Moursy Ahmed . . 4 Clery Antoine . . 5 Allain 'Frederic Hai-Trieu' H. . stop_ _Journal_abbreviation Elife _Journal_name_full eLife _Journal_volume 6 _Journal_issue . _Journal_ISSN 2050-084X _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e25736 _Page_last e25736 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "hnRNP A1 RRM2 in complex with 5'-UCAGUU-3' RNA" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Heterogeneous nuclear ribonucleoprotein A1' _Molecular_mass 11630.084 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; SQRPGAHLTVKKIFVGGIKE DTEEHHLRDYFEQYGKIEVI EIMTDRGSGKKRGFAFVTFD DHDSVDKIVIQKYHTVNGHN CEVRKALSKQEMASASSSQR GR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 95 SER 2 96 GLN 3 97 ARG 4 98 PRO 5 99 GLY 6 100 ALA 7 101 HIS 8 102 LEU 9 103 THR 10 104 VAL 11 105 LYS 12 106 LYS 13 107 ILE 14 108 PHE 15 109 VAL 16 110 GLY 17 111 GLY 18 112 ILE 19 113 LYS 20 114 GLU 21 115 ASP 22 116 THR 23 117 GLU 24 118 GLU 25 119 HIS 26 120 HIS 27 121 LEU 28 122 ARG 29 123 ASP 30 124 TYR 31 125 PHE 32 126 GLU 33 127 GLN 34 128 TYR 35 129 GLY 36 130 LYS 37 131 ILE 38 132 GLU 39 133 VAL 40 134 ILE 41 135 GLU 42 136 ILE 43 137 MET 44 138 THR 45 139 ASP 46 140 ARG 47 141 GLY 48 142 SER 49 143 GLY 50 144 LYS 51 145 LYS 52 146 ARG 53 147 GLY 54 148 PHE 55 149 ALA 56 150 PHE 57 151 VAL 58 152 THR 59 153 PHE 60 154 ASP 61 155 ASP 62 156 HIS 63 157 ASP 64 158 SER 65 159 VAL 66 160 ASP 67 161 LYS 68 162 ILE 69 163 VAL 70 164 ILE 71 165 GLN 72 166 LYS 73 167 TYR 74 168 HIS 75 169 THR 76 170 VAL 77 171 ASN 78 172 GLY 79 173 HIS 80 174 ASN 81 175 CYS 82 176 GLU 83 177 VAL 84 178 ARG 85 179 LYS 86 180 ALA 87 181 LEU 88 182 SER 89 183 LYS 90 184 GLN 91 185 GLU 92 186 MET 93 187 ALA 94 188 SER 95 189 ALA 96 190 SER 97 191 SER 98 192 SER 99 193 GLN 100 194 ARG 101 195 GLY 102 196 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'RNA UCAGUU' _Molecular_mass 1853.133 _Mol_thiol_state 'not present' _Details . _Residue_count 6 _Mol_residue_sequence ; UCAGUU ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 U 2 2 C 3 3 A 4 4 G 5 5 U 6 6 U 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'HNRNPA1, HNRPA1' $entity_2 Human 9606 Eukaryota Metazia 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_name $entity_1 'recombinant technology' . . . . . $entity_2 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.0 mM [U-99% 15N] hnRNP A1 RRM2, 1.0 g/L RNA UCAGUU, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 1.0 g/L 'natural abundance' $entity_1 1.0 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1.0 mM [U-99% 13C; U-99% 15N] hnRNP A1 RRM2, 1.0 mM RNA UCAGUU, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 1.0 mM 'natural abundance' $entity_1 1.0 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1.0 mM [U-99% 15N] hnRNP A1 RRM2, 1.0 mM RNA UCAGUU, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 1.0 mM 'natural abundance' $entity_1 1.0 mM '[U-99% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '1.0 mM [U-99% 13C; U-99% 15N] hnRNP A1 RRM2, 1.0 mM RNA UCAGUU, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 1.0 mM 'natural abundance' $entity_1 1.0 mM '[U-99% 13C; U-99% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 750 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details . save_ save_NMR_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . 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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_4 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HCc(CO)NH_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCc(CO)NH TOCSY' _Sample_label $sample_2 save_ save_3D_hCC(CO)NH_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D hCC(CO)NH TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_F1eF3f_13C-filtered/edited_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D F1eF3f 13C-filtered/edited NOESY' _Sample_label $sample_4 save_ save_2D_F1fF2f_13C-filtered_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F1fF2f 13C-filtered NOESY' _Sample_label $sample_4 save_ save_2D_1H-1H_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HCc(CO)NH TOCSY' '3D hCC(CO)NH TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D F1eF3f 13C-filtered/edited NOESY' '2D F1fF2f 13C-filtered NOESY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_4 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 98 4 PRO HA H 4.396 0.020 1 2 98 4 PRO HB2 H 1.888 0.020 2 3 98 4 PRO HB3 H 2.269 0.020 2 4 98 4 PRO HG2 H 1.912 0.020 2 5 98 4 PRO HG3 H 1.992 0.020 2 6 98 4 PRO HD2 H 3.604 0.020 2 7 98 4 PRO HD3 H 3.782 0.020 2 8 98 4 PRO CA C 63.441 0.300 1 9 98 4 PRO CB C 31.983 0.300 1 10 98 4 PRO CG C 27.409 0.300 1 11 98 4 PRO CD C 50.626 0.300 1 12 99 5 GLY H H 8.498 0.020 1 13 99 5 GLY HA2 H 3.872 0.020 2 14 99 5 GLY HA3 H 3.966 0.020 2 15 99 5 GLY CA C 45.203 0.300 1 16 99 5 GLY N N 109.575 0.300 1 17 100 6 ALA H H 8.018 0.020 1 18 100 6 ALA HA H 4.199 0.020 1 19 100 6 ALA HB H 1.321 0.020 1 20 100 6 ALA CA C 52.798 0.300 1 21 100 6 ALA CB C 19.172 0.300 1 22 100 6 ALA N N 123.330 0.300 1 23 101 7 HIS HA H 4.593 0.020 1 24 101 7 HIS HB2 H 3.119 0.020 2 25 101 7 HIS HB3 H 3.119 0.020 2 26 101 7 HIS HD2 H 6.998 0.020 1 27 101 7 HIS HE1 H 7.914 0.020 1 28 101 7 HIS CA C 56.340 0.300 1 29 101 7 HIS CB C 30.471 0.300 1 30 101 7 HIS CD2 C 119.591 0.300 1 31 101 7 HIS CE1 C 137.958 0.300 1 32 102 8 LEU H H 7.954 0.020 1 33 102 8 LEU HA H 4.328 0.020 1 34 102 8 LEU HB2 H 1.513 0.020 1 35 102 8 LEU HB3 H 1.568 0.020 1 36 102 8 LEU HG H 1.331 0.020 1 37 102 8 LEU HD1 H 0.855 0.020 2 38 102 8 LEU HD2 H 0.795 0.020 2 39 102 8 LEU CA C 55.034 0.300 1 40 102 8 LEU CB C 42.377 0.300 1 41 102 8 LEU CG C 26.858 0.300 1 42 102 8 LEU CD1 C 24.823 0.300 1 43 102 8 LEU CD2 C 23.469 0.300 1 44 102 8 LEU N N 123.108 0.300 1 45 103 9 THR H H 8.098 0.020 1 46 103 9 THR HB H 3.970 0.020 1 47 103 9 THR HG2 H 0.883 0.020 1 48 103 9 THR CB C 69.397 0.300 1 49 103 9 THR CG2 C 21.434 0.300 1 50 103 9 THR N N 115.623 0.300 1 51 104 10 VAL H H 8.187 0.020 1 52 104 10 VAL HA H 4.383 0.020 1 53 104 10 VAL HB H 2.236 0.020 1 54 104 10 VAL HG1 H 1.108 0.020 2 55 104 10 VAL HG2 H 1.210 0.020 2 56 104 10 VAL CA C 61.981 0.300 1 57 104 10 VAL CB C 34.088 0.300 1 58 104 10 VAL CG1 C 20.937 0.300 1 59 104 10 VAL CG2 C 22.133 0.300 1 60 104 10 VAL N N 121.708 0.300 1 61 105 11 LYS H H 8.737 0.020 1 62 105 11 LYS HB2 H 2.287 0.020 2 63 105 11 LYS HB3 H 2.287 0.020 2 64 105 11 LYS HG2 H 1.462 0.020 1 65 105 11 LYS HG3 H 1.130 0.020 1 66 105 11 LYS HE2 H 2.983 0.020 2 67 105 11 LYS HE3 H 2.983 0.020 2 68 105 11 LYS CB C 32.951 0.300 1 69 105 11 LYS CG C 25.487 0.300 1 70 105 11 LYS CE C 42.070 0.300 1 71 105 11 LYS N N 121.749 0.300 1 72 106 12 LYS H H 7.280 0.020 1 73 106 12 LYS HA H 5.665 0.020 1 74 106 12 LYS HB2 H 1.849 0.020 1 75 106 12 LYS HB3 H 1.646 0.020 1 76 106 12 LYS HG2 H 1.524 0.020 1 77 106 12 LYS HG3 H 1.137 0.020 1 78 106 12 LYS HD2 H 1.489 0.020 1 79 106 12 LYS HD3 H 1.511 0.020 1 80 106 12 LYS HE2 H 2.582 0.020 2 81 106 12 LYS HE3 H 2.582 0.020 2 82 106 12 LYS CA C 54.405 0.300 1 83 106 12 LYS CB C 37.921 0.300 1 84 106 12 LYS CG C 24.794 0.300 1 85 106 12 LYS CD C 30.155 0.300 1 86 106 12 LYS CE C 41.038 0.300 1 87 106 12 LYS N N 122.399 0.300 1 88 107 13 ILE H H 8.926 0.020 1 89 107 13 ILE HA H 5.071 0.020 1 90 107 13 ILE HB H 1.793 0.020 1 91 107 13 ILE HG12 H 1.158 0.020 2 92 107 13 ILE HG13 H 1.259 0.020 2 93 107 13 ILE HG2 H 0.716 0.020 1 94 107 13 ILE HD1 H 0.119 0.020 1 95 107 13 ILE CA C 59.084 0.300 1 96 107 13 ILE CB C 40.426 0.300 1 97 107 13 ILE CG1 C 25.858 0.300 1 98 107 13 ILE CG2 C 19.316 0.300 1 99 107 13 ILE CD1 C 13.728 0.300 1 100 107 13 ILE N N 116.158 0.300 1 101 108 14 PHE H H 9.090 0.020 1 102 108 14 PHE HA H 4.300 0.020 1 103 108 14 PHE HB2 H 2.078 0.020 1 104 108 14 PHE HB3 H 2.526 0.020 1 105 108 14 PHE HD1 H 6.026 0.020 1 106 108 14 PHE HD2 H 6.026 0.020 1 107 108 14 PHE HE1 H 6.397 0.020 1 108 108 14 PHE HE2 H 6.397 0.020 1 109 108 14 PHE HZ H 6.627 0.020 1 110 108 14 PHE CA C 56.515 0.300 1 111 108 14 PHE CB C 41.246 0.300 1 112 108 14 PHE CD1 C 129.894 0.300 1 113 108 14 PHE CE1 C 130.905 0.300 1 114 108 14 PHE CZ C 128.854 0.300 1 115 108 14 PHE N N 124.304 0.300 1 116 109 15 VAL H H 8.208 0.020 1 117 109 15 VAL HA H 4.414 0.020 1 118 109 15 VAL HB H 1.588 0.020 1 119 109 15 VAL HG1 H 0.510 0.020 2 120 109 15 VAL HG2 H 0.691 0.020 2 121 109 15 VAL CA C 60.380 0.300 1 122 109 15 VAL CB C 33.060 0.300 1 123 109 15 VAL CG1 C 20.886 0.300 1 124 109 15 VAL CG2 C 21.115 0.300 1 125 109 15 VAL N N 127.319 0.300 1 126 110 16 GLY H H 9.006 0.020 1 127 110 16 GLY HA2 H 3.543 0.020 2 128 110 16 GLY HA3 H 4.297 0.020 2 129 110 16 GLY CA C 43.721 0.300 1 130 110 16 GLY N N 113.323 0.300 1 131 111 17 GLY H H 7.835 0.020 1 132 111 17 GLY HA2 H 3.850 0.020 2 133 111 17 GLY HA3 H 4.291 0.020 2 134 111 17 GLY CA C 46.246 0.300 1 135 111 17 GLY N N 106.620 0.300 1 136 112 18 ILE HG2 H 0.690 0.020 1 137 112 18 ILE HD1 H 0.497 0.020 1 138 112 18 ILE CG2 C 18.549 0.300 1 139 112 18 ILE CD1 C 14.337 0.300 1 140 115 21 ASP HA H 4.334 0.020 1 141 115 21 ASP CA C 62.727 0.300 1 142 116 22 THR HA H 3.213 0.020 1 143 116 22 THR HB H 3.970 0.020 1 144 116 22 THR HG2 H 1.052 0.020 1 145 116 22 THR CA C 63.007 0.300 1 146 116 22 THR CB C 69.397 0.300 1 147 116 22 THR CG2 C 22.519 0.300 1 148 117 23 GLU H H 11.182 0.020 1 149 117 23 GLU HA H 4.644 0.020 1 150 117 23 GLU HB2 H 2.240 0.020 1 151 117 23 GLU HB3 H 1.315 0.020 1 152 117 23 GLU HG2 H 2.248 0.020 1 153 117 23 GLU HG3 H 2.377 0.020 1 154 117 23 GLU CA C 53.729 0.300 1 155 117 23 GLU CB C 32.919 0.300 1 156 117 23 GLU CG C 35.613 0.300 1 157 117 23 GLU N N 130.214 0.300 1 158 118 24 GLU H H 9.318 0.020 1 159 118 24 GLU HA H 3.617 0.020 1 160 118 24 GLU HB2 H 2.079 0.020 1 161 118 24 GLU HB3 H 2.156 0.020 1 162 118 24 GLU HG2 H 2.177 0.020 2 163 118 24 GLU HG3 H 2.224 0.020 2 164 118 24 GLU CA C 61.629 0.300 1 165 118 24 GLU CB C 28.899 0.300 1 166 118 24 GLU CG C 36.748 0.300 1 167 118 24 GLU N N 122.337 0.300 1 168 119 25 HIS H H 8.352 0.020 1 169 119 25 HIS HA H 4.272 0.020 1 170 119 25 HIS HB2 H 3.045 0.020 1 171 119 25 HIS HB3 H 3.209 0.020 1 172 119 25 HIS HD2 H 6.956 0.020 1 173 119 25 HIS HE1 H 7.680 0.020 1 174 119 25 HIS CA C 58.689 0.300 1 175 119 25 HIS CB C 27.816 0.300 1 176 119 25 HIS CD2 C 119.993 0.300 1 177 119 25 HIS CE1 C 137.567 0.300 1 178 119 25 HIS N N 113.374 0.300 1 179 120 26 HIS H H 6.470 0.020 1 180 120 26 HIS HA H 4.329 0.020 1 181 120 26 HIS HB2 H 2.834 0.020 1 182 120 26 HIS HB3 H 3.241 0.020 1 183 120 26 HIS HD2 H 7.064 0.020 1 184 120 26 HIS HE1 H 7.667 0.020 1 185 120 26 HIS CA C 60.197 0.300 1 186 120 26 HIS CB C 32.227 0.300 1 187 120 26 HIS CD2 C 116.914 0.300 1 188 120 26 HIS CE1 C 138.065 0.300 1 189 120 26 HIS N N 118.440 0.300 1 190 121 27 LEU H H 7.108 0.020 1 191 121 27 LEU HA H 4.163 0.020 1 192 121 27 LEU HB2 H 1.383 0.020 1 193 121 27 LEU HB3 H 2.134 0.020 1 194 121 27 LEU HG H 1.308 0.020 1 195 121 27 LEU HD1 H 0.595 0.020 2 196 121 27 LEU HD2 H 0.839 0.020 2 197 121 27 LEU CA C 57.744 0.300 1 198 121 27 LEU CB C 42.547 0.300 1 199 121 27 LEU CG C 27.034 0.300 1 200 121 27 LEU CD1 C 26.827 0.300 1 201 121 27 LEU CD2 C 24.659 0.300 1 202 121 27 LEU N N 117.157 0.300 1 203 122 28 ARG H H 8.737 0.020 1 204 122 28 ARG HA H 3.745 0.020 1 205 122 28 ARG HB2 H 1.818 0.020 1 206 122 28 ARG HB3 H 1.893 0.020 1 207 122 28 ARG HG2 H 1.489 0.020 1 208 122 28 ARG HG3 H 1.578 0.020 1 209 122 28 ARG HD2 H 3.133 0.020 1 210 122 28 ARG HD3 H 3.330 0.020 1 211 122 28 ARG HE H 7.704 0.020 1 212 122 28 ARG CA C 60.370 0.300 1 213 122 28 ARG CB C 30.145 0.300 1 214 122 28 ARG CG C 28.236 0.300 1 215 122 28 ARG CD C 42.761 0.300 1 216 122 28 ARG N N 121.749 0.300 1 217 122 28 ARG NE N 83.901 0.300 1 218 123 29 ASP H H 8.401 0.020 1 219 123 29 ASP HA H 4.282 0.020 1 220 123 29 ASP HB2 H 2.699 0.020 2 221 123 29 ASP HB3 H 2.805 0.020 2 222 123 29 ASP CA C 57.118 0.300 1 223 123 29 ASP CB C 40.494 0.300 1 224 123 29 ASP N N 116.105 0.300 1 225 124 30 TYR H H 7.212 0.020 1 226 124 30 TYR HA H 4.326 0.020 1 227 124 30 TYR HB2 H 2.485 0.020 1 228 124 30 TYR HB3 H 3.141 0.020 1 229 124 30 TYR HD1 H 5.891 0.020 1 230 124 30 TYR HD2 H 5.891 0.020 1 231 124 30 TYR HE1 H 6.596 0.020 1 232 124 30 TYR HE2 H 6.596 0.020 1 233 124 30 TYR CA C 61.594 0.300 1 234 124 30 TYR CB C 39.759 0.300 1 235 124 30 TYR CD1 C 132.465 0.300 1 236 124 30 TYR CE1 C 118.585 0.300 1 237 124 30 TYR N N 115.113 0.300 1 238 125 31 PHE H H 8.787 0.020 1 239 125 31 PHE HA H 4.521 0.020 1 240 125 31 PHE HB2 H 3.172 0.020 1 241 125 31 PHE HB3 H 3.564 0.020 1 242 125 31 PHE HD1 H 7.586 0.020 1 243 125 31 PHE HD2 H 7.586 0.020 1 244 125 31 PHE HE1 H 6.873 0.020 1 245 125 31 PHE HE2 H 6.873 0.020 1 246 125 31 PHE HZ H 6.706 0.020 1 247 125 31 PHE CA C 63.375 0.300 1 248 125 31 PHE CB C 38.555 0.300 1 249 125 31 PHE CD1 C 132.006 0.300 1 250 125 31 PHE CE1 C 130.971 0.300 1 251 125 31 PHE CZ C 129.406 0.300 1 252 125 31 PHE N N 113.876 0.300 1 253 126 32 GLU H H 8.823 0.020 1 254 126 32 GLU HA H 4.903 0.020 1 255 126 32 GLU HB2 H 2.146 0.020 1 256 126 32 GLU HB3 H 2.283 0.020 1 257 126 32 GLU HG2 H 2.473 0.020 1 258 126 32 GLU HG3 H 2.547 0.020 1 259 126 32 GLU CA C 58.442 0.300 1 260 126 32 GLU CB C 28.454 0.300 1 261 126 32 GLU CG C 37.146 0.300 1 262 126 32 GLU N N 120.428 0.300 1 263 127 33 GLN H H 7.089 0.020 1 264 127 33 GLN HA H 4.083 0.020 1 265 127 33 GLN HB2 H 1.708 0.020 2 266 127 33 GLN HB3 H 1.708 0.020 2 267 127 33 GLN HG2 H 1.342 0.020 2 268 127 33 GLN HG3 H 1.909 0.020 2 269 127 33 GLN HE21 H 7.023 0.020 1 270 127 33 GLN HE22 H 6.342 0.020 1 271 127 33 GLN CA C 57.445 0.300 1 272 127 33 GLN CB C 29.054 0.300 1 273 127 33 GLN CG C 33.656 0.300 1 274 127 33 GLN N N 115.805 0.300 1 275 127 33 GLN NE2 N 111.717 0.300 1 276 128 34 TYR H H 7.947 0.020 1 277 128 34 TYR HA H 4.365 0.020 1 278 128 34 TYR HB2 H 2.918 0.020 1 279 128 34 TYR HB3 H 3.004 0.020 1 280 128 34 TYR HD1 H 7.169 0.020 1 281 128 34 TYR HD2 H 7.169 0.020 1 282 128 34 TYR HE1 H 6.563 0.020 1 283 128 34 TYR HE2 H 6.563 0.020 1 284 128 34 TYR CA C 59.680 0.300 1 285 128 34 TYR CB C 39.593 0.300 1 286 128 34 TYR CD1 C 133.429 0.300 1 287 128 34 TYR CE1 C 118.060 0.300 1 288 128 34 TYR N N 116.648 0.300 1 289 129 35 GLY H H 7.498 0.020 1 290 129 35 GLY HA2 H 3.907 0.020 1 291 129 35 GLY HA3 H 4.424 0.020 1 292 129 35 GLY CA C 44.748 0.300 1 293 129 35 GLY N N 107.329 0.300 1 294 130 36 LYS H H 8.207 0.020 1 295 130 36 LYS HA H 4.345 0.020 1 296 130 36 LYS HB2 H 1.675 0.020 2 297 130 36 LYS HB3 H 1.767 0.020 2 298 130 36 LYS HG2 H 1.326 0.020 2 299 130 36 LYS HG3 H 1.469 0.020 2 300 130 36 LYS HD2 H 1.704 0.020 2 301 130 36 LYS HD3 H 1.704 0.020 2 302 130 36 LYS HE2 H 2.987 0.020 2 303 130 36 LYS HE3 H 2.987 0.020 2 304 130 36 LYS CA C 56.749 0.300 1 305 130 36 LYS CB C 33.312 0.300 1 306 130 36 LYS CG C 25.095 0.300 1 307 130 36 LYS CD C 29.273 0.300 1 308 130 36 LYS CE C 42.257 0.300 1 309 130 36 LYS N N 117.979 0.300 1 310 131 37 ILE H H 8.881 0.020 1 311 131 37 ILE HA H 3.715 0.020 1 312 131 37 ILE HB H 1.602 0.020 1 313 131 37 ILE HG12 H 1.797 0.020 1 314 131 37 ILE HG13 H 0.219 0.020 1 315 131 37 ILE HG2 H 0.472 0.020 1 316 131 37 ILE HD1 H 0.778 0.020 1 317 131 37 ILE CA C 61.462 0.300 1 318 131 37 ILE CB C 40.287 0.300 1 319 131 37 ILE CG1 C 28.554 0.300 1 320 131 37 ILE CG2 C 17.430 0.300 1 321 131 37 ILE CD1 C 15.514 0.300 1 322 131 37 ILE N N 127.560 0.300 1 323 132 38 GLU H H 9.137 0.020 1 324 132 38 GLU HA H 4.349 0.020 1 325 132 38 GLU HB2 H 1.664 0.020 1 326 132 38 GLU HB3 H 1.752 0.020 1 327 132 38 GLU HG2 H 1.990 0.020 1 328 132 38 GLU HG3 H 2.167 0.020 1 329 132 38 GLU CA C 57.714 0.300 1 330 132 38 GLU CB C 31.657 0.300 1 331 132 38 GLU CG C 35.788 0.300 1 332 132 38 GLU N N 128.350 0.300 1 333 133 39 VAL H H 7.259 0.020 1 334 133 39 VAL HA H 4.311 0.020 1 335 133 39 VAL HB H 2.057 0.020 1 336 133 39 VAL HG1 H 0.891 0.020 2 337 133 39 VAL HG2 H 0.912 0.020 2 338 133 39 VAL CA C 61.066 0.300 1 339 133 39 VAL CB C 35.477 0.300 1 340 133 39 VAL CG1 C 21.247 0.300 1 341 133 39 VAL CG2 C 20.959 0.300 1 342 133 39 VAL N N 114.989 0.300 1 343 134 40 ILE H H 8.549 0.020 1 344 134 40 ILE HA H 4.487 0.020 1 345 134 40 ILE HB H 1.650 0.020 1 346 134 40 ILE HG12 H 1.576 0.020 1 347 134 40 ILE HG13 H 0.857 0.020 1 348 134 40 ILE HG2 H 0.793 0.020 1 349 134 40 ILE HD1 H 0.865 0.020 1 350 134 40 ILE CA C 60.805 0.300 1 351 134 40 ILE CB C 40.407 0.300 1 352 134 40 ILE CG1 C 28.936 0.300 1 353 134 40 ILE CG2 C 18.123 0.300 1 354 134 40 ILE CD1 C 14.177 0.300 1 355 134 40 ILE N N 126.905 0.300 1 356 135 41 GLU H H 8.994 0.020 1 357 135 41 GLU HA H 4.638 0.020 1 358 135 41 GLU HB2 H 2.127 0.020 1 359 135 41 GLU HB3 H 2.216 0.020 1 360 135 41 GLU HG2 H 2.038 0.020 2 361 135 41 GLU HG3 H 2.186 0.020 2 362 135 41 GLU CA C 54.789 0.300 1 363 135 41 GLU CB C 33.157 0.300 1 364 135 41 GLU CG C 36.822 0.300 1 365 135 41 GLU N N 127.767 0.300 1 366 136 42 ILE H H 8.904 0.020 1 367 136 42 ILE HA H 3.781 0.020 1 368 136 42 ILE HB H 1.825 0.020 1 369 136 42 ILE HG12 H 1.442 0.020 2 370 136 42 ILE HG13 H 0.690 0.020 2 371 136 42 ILE HG2 H 0.716 0.020 1 372 136 42 ILE HD1 H 0.611 0.020 1 373 136 42 ILE CA C 61.272 0.300 1 374 136 42 ILE CB C 37.314 0.300 1 375 136 42 ILE CG1 C 28.112 0.300 1 376 136 42 ILE CG2 C 17.652 0.300 1 377 136 42 ILE CD1 C 12.528 0.300 1 378 136 42 ILE N N 126.377 0.300 1 379 137 43 MET H H 7.160 0.020 1 380 137 43 MET HA H 4.790 0.020 1 381 137 43 MET HB2 H 0.726 0.020 2 382 137 43 MET HB3 H 1.513 0.020 2 383 137 43 MET HG2 H 0.823 0.020 2 384 137 43 MET HG3 H 2.497 0.020 2 385 137 43 MET HE H 2.263 0.020 1 386 137 43 MET CA C 54.433 0.300 1 387 137 43 MET CB C 29.220 0.300 1 388 137 43 MET CG C 32.410 0.300 1 389 137 43 MET CE C 16.490 0.300 1 390 137 43 MET N N 125.347 0.300 1 391 138 44 THR H H 8.620 0.020 1 392 138 44 THR HA H 4.833 0.020 1 393 138 44 THR HB H 3.760 0.020 1 394 138 44 THR HG2 H 0.983 0.020 1 395 138 44 THR CA C 59.894 0.300 1 396 138 44 THR CB C 72.050 0.300 1 397 138 44 THR CG2 C 21.607 0.300 1 398 138 44 THR N N 115.558 0.300 1 399 139 45 ASP H H 8.991 0.020 1 400 139 45 ASP HA H 4.739 0.020 1 401 139 45 ASP HB2 H 2.520 0.020 1 402 139 45 ASP HB3 H 2.910 0.020 1 403 139 45 ASP CA C 53.523 0.300 1 404 139 45 ASP CB C 42.612 0.300 1 405 139 45 ASP N N 123.985 0.300 1 406 140 46 ARG H H 9.137 0.020 1 407 140 46 ARG HA H 4.007 0.020 1 408 140 46 ARG HB2 H 1.863 0.020 2 409 140 46 ARG HB3 H 1.863 0.020 2 410 140 46 ARG HG2 H 1.690 0.020 2 411 140 46 ARG HG3 H 1.690 0.020 2 412 140 46 ARG HD2 H 3.184 0.020 2 413 140 46 ARG HD3 H 3.184 0.020 2 414 140 46 ARG CA C 58.474 0.300 1 415 140 46 ARG CB C 29.879 0.300 1 416 140 46 ARG CG C 27.191 0.300 1 417 140 46 ARG CD C 43.182 0.300 1 418 140 46 ARG N N 128.350 0.300 1 419 141 47 GLY H H 8.618 0.020 1 420 141 47 GLY HA2 H 3.878 0.020 2 421 141 47 GLY HA3 H 3.975 0.020 2 422 141 47 GLY CA C 46.435 0.300 1 423 141 47 GLY N N 107.203 0.300 1 424 142 48 SER H H 8.170 0.020 1 425 142 48 SER HA H 4.587 0.020 1 426 142 48 SER HB2 H 3.828 0.020 2 427 142 48 SER HB3 H 3.985 0.020 2 428 142 48 SER CA C 58.357 0.300 1 429 142 48 SER CB C 65.797 0.300 1 430 142 48 SER N N 114.236 0.300 1 431 143 49 GLY H H 8.411 0.020 1 432 143 49 GLY HA2 H 3.788 0.020 1 433 143 49 GLY HA3 H 4.204 0.020 1 434 143 49 GLY CA C 45.579 0.300 1 435 143 49 GLY N N 112.677 0.300 1 436 144 50 LYS H H 7.786 0.020 1 437 144 50 LYS HA H 4.293 0.020 1 438 144 50 LYS HB2 H 1.661 0.020 2 439 144 50 LYS HB3 H 1.661 0.020 2 440 144 50 LYS HG2 H 1.405 0.020 2 441 144 50 LYS HG3 H 1.484 0.020 2 442 144 50 LYS HD2 H 1.668 0.020 2 443 144 50 LYS HD3 H 1.668 0.020 2 444 144 50 LYS HE2 H 2.983 0.020 2 445 144 50 LYS HE3 H 2.983 0.020 2 446 144 50 LYS CA C 56.264 0.300 1 447 144 50 LYS CB C 33.325 0.300 1 448 144 50 LYS CG C 24.992 0.300 1 449 144 50 LYS CD C 28.834 0.300 1 450 144 50 LYS CE C 42.210 0.300 1 451 144 50 LYS N N 120.010 0.300 1 452 145 51 LYS H H 9.043 0.020 1 453 145 51 LYS HA H 4.120 0.020 1 454 145 51 LYS HG2 H 1.382 0.020 2 455 145 51 LYS HG3 H 1.685 0.020 2 456 145 51 LYS HE2 H 2.956 0.020 2 457 145 51 LYS HE3 H 2.956 0.020 2 458 145 51 LYS CA C 57.602 0.300 1 459 145 51 LYS CG C 26.147 0.300 1 460 145 51 LYS CE C 42.693 0.300 1 461 145 51 LYS N N 123.499 0.300 1 462 146 52 ARG H H 7.976 0.020 1 463 146 52 ARG HA H 4.296 0.020 1 464 146 52 ARG HB2 H 1.848 0.020 2 465 146 52 ARG HB3 H 1.848 0.020 2 466 146 52 ARG HG2 H 1.631 0.020 2 467 146 52 ARG HG3 H 1.631 0.020 2 468 146 52 ARG HD2 H 3.177 0.020 2 469 146 52 ARG HD3 H 3.177 0.020 2 470 146 52 ARG CA C 56.290 0.300 1 471 146 52 ARG CB C 30.748 0.300 1 472 146 52 ARG CG C 26.940 0.300 1 473 146 52 ARG CD C 43.180 0.300 1 474 146 52 ARG N N 119.308 0.300 1 475 147 53 GLY H H 8.374 0.020 1 476 147 53 GLY HA2 H 3.914 0.020 2 477 147 53 GLY HA3 H 4.306 0.020 2 478 147 53 GLY CA C 45.538 0.300 1 479 147 53 GLY N N 110.370 0.300 1 480 148 54 PHE H H 7.072 0.020 1 481 148 54 PHE HA H 4.447 0.020 1 482 148 54 PHE HD1 H 6.426 0.020 1 483 148 54 PHE HD2 H 6.426 0.020 1 484 148 54 PHE HE1 H 7.215 0.020 1 485 148 54 PHE HE2 H 7.215 0.020 1 486 148 54 PHE HZ H 7.246 0.020 1 487 148 54 PHE CA C 55.072 0.300 1 488 148 54 PHE CD1 C 132.901 0.300 1 489 148 54 PHE CE1 C 131.127 0.300 1 490 148 54 PHE CZ C 128.639 0.300 1 491 148 54 PHE N N 113.727 0.300 1 492 149 55 ALA H H 8.438 0.020 1 493 149 55 ALA HA H 4.741 0.020 1 494 149 55 ALA HB H 0.907 0.020 1 495 149 55 ALA CA C 49.314 0.300 1 496 149 55 ALA CB C 25.192 0.300 1 497 149 55 ALA N N 121.173 0.300 1 498 150 56 PHE H H 8.537 0.020 1 499 150 56 PHE HA H 5.672 0.020 1 500 150 56 PHE HB2 H 2.653 0.020 1 501 150 56 PHE HB3 H 2.780 0.020 1 502 150 56 PHE HD1 H 7.007 0.020 1 503 150 56 PHE HD2 H 7.007 0.020 1 504 150 56 PHE HE1 H 6.969 0.020 1 505 150 56 PHE HE2 H 6.969 0.020 1 506 150 56 PHE HZ H 6.922 0.020 1 507 150 56 PHE CA C 56.176 0.300 1 508 150 56 PHE CB C 43.485 0.300 1 509 150 56 PHE CD1 C 130.364 0.300 1 510 150 56 PHE CE1 C 131.855 0.300 1 511 150 56 PHE CZ C 128.391 0.300 1 512 150 56 PHE N N 114.207 0.300 1 513 151 57 VAL H H 8.440 0.020 1 514 151 57 VAL HA H 4.327 0.020 1 515 151 57 VAL HB H 1.381 0.020 1 516 151 57 VAL HG1 H 0.058 0.020 2 517 151 57 VAL HG2 H 0.452 0.020 2 518 151 57 VAL CA C 61.160 0.300 1 519 151 57 VAL CB C 33.801 0.300 1 520 151 57 VAL CG1 C 22.212 0.300 1 521 151 57 VAL CG2 C 20.422 0.300 1 522 151 57 VAL N N 122.124 0.300 1 523 152 58 THR H H 8.705 0.020 1 524 152 58 THR HA H 4.950 0.020 1 525 152 58 THR HB H 3.909 0.020 1 526 152 58 THR HG2 H 1.207 0.020 1 527 152 58 THR CA C 62.024 0.300 1 528 152 58 THR CB C 69.576 0.300 1 529 152 58 THR CG2 C 21.286 0.300 1 530 152 58 THR N N 123.148 0.300 1 531 153 59 PHE H H 9.366 0.020 1 532 153 59 PHE HA H 4.909 0.020 1 533 153 59 PHE HB2 H 2.793 0.020 1 534 153 59 PHE HB3 H 3.599 0.020 1 535 153 59 PHE HD1 H 7.010 0.020 1 536 153 59 PHE HD2 H 7.010 0.020 1 537 153 59 PHE HE1 H 6.892 0.020 1 538 153 59 PHE HE2 H 6.892 0.020 1 539 153 59 PHE HZ H 6.809 0.020 1 540 153 59 PHE CA C 58.060 0.300 1 541 153 59 PHE CB C 41.678 0.300 1 542 153 59 PHE CD1 C 132.179 0.300 1 543 153 59 PHE CE1 C 130.437 0.300 1 544 153 59 PHE CZ C 129.581 0.300 1 545 153 59 PHE N N 127.692 0.300 1 546 154 60 ASP H H 8.257 0.020 1 547 154 60 ASP HA H 4.541 0.020 1 548 154 60 ASP HB2 H 2.579 0.020 2 549 154 60 ASP HB3 H 2.677 0.020 2 550 154 60 ASP CA C 55.978 0.300 1 551 154 60 ASP CB C 42.573 0.300 1 552 154 60 ASP N N 118.232 0.300 1 553 155 61 ASP H H 8.281 0.020 1 554 155 61 ASP HA H 4.899 0.020 1 555 155 61 ASP HB2 H 2.646 0.020 1 556 155 61 ASP HB3 H 2.834 0.020 1 557 155 61 ASP CA C 52.785 0.300 1 558 155 61 ASP CB C 44.344 0.300 1 559 155 61 ASP N N 117.183 0.300 1 560 156 62 HIS H H 8.612 0.020 1 561 156 62 HIS HA H 4.385 0.020 1 562 156 62 HIS HB2 H 2.910 0.020 2 563 156 62 HIS HB3 H 3.338 0.020 2 564 156 62 HIS HD2 H 7.222 0.020 1 565 156 62 HIS HE1 H 8.060 0.020 1 566 156 62 HIS CA C 58.460 0.300 1 567 156 62 HIS CB C 29.502 0.300 1 568 156 62 HIS CD2 C 121.219 0.300 1 569 156 62 HIS CE1 C 138.225 0.300 1 570 156 62 HIS N N 120.660 0.300 1 571 157 63 ASP H H 8.484 0.020 1 572 157 63 ASP HA H 4.299 0.020 1 573 157 63 ASP HB2 H 2.432 0.020 2 574 157 63 ASP HB3 H 2.566 0.020 2 575 157 63 ASP CA C 57.010 0.300 1 576 157 63 ASP CB C 40.651 0.300 1 577 157 63 ASP N N 122.293 0.300 1 578 158 64 SER H H 7.517 0.020 1 579 158 64 SER HA H 3.964 0.020 1 580 158 64 SER CA C 61.608 0.300 1 581 158 64 SER N N 113.816 0.300 1 582 159 65 VAL H H 6.644 0.020 1 583 159 65 VAL HA H 2.985 0.020 1 584 159 65 VAL HB H 2.280 0.020 1 585 159 65 VAL HG1 H 0.855 0.020 2 586 159 65 VAL CA C 66.442 0.300 1 587 159 65 VAL CB C 31.394 0.300 1 588 159 65 VAL CG1 C 23.888 0.300 1 589 159 65 VAL N N 118.489 0.300 1 590 160 66 ASP H H 7.728 0.020 1 591 160 66 ASP HA H 4.292 0.020 1 592 160 66 ASP HB2 H 2.624 0.020 2 593 160 66 ASP HB3 H 2.712 0.020 2 594 160 66 ASP CA C 57.674 0.300 1 595 160 66 ASP CB C 40.209 0.300 1 596 160 66 ASP N N 118.901 0.300 1 597 161 67 LYS H H 7.470 0.020 1 598 161 67 LYS HA H 4.051 0.020 1 599 161 67 LYS HB2 H 1.920 0.020 1 600 161 67 LYS HB3 H 1.990 0.020 1 601 161 67 LYS HG2 H 1.540 0.020 2 602 161 67 LYS HG3 H 1.677 0.020 2 603 161 67 LYS HD2 H 1.833 0.020 2 604 161 67 LYS HD3 H 1.936 0.020 2 605 161 67 LYS HE2 H 2.988 0.020 2 606 161 67 LYS HE3 H 2.988 0.020 2 607 161 67 LYS CA C 58.655 0.300 1 608 161 67 LYS CB C 33.173 0.300 1 609 161 67 LYS CG C 25.625 0.300 1 610 161 67 LYS CD C 29.422 0.300 1 611 161 67 LYS CE C 41.944 0.300 1 612 161 67 LYS N N 116.526 0.300 1 613 162 68 ILE H H 7.399 0.020 1 614 162 68 ILE HA H 3.309 0.020 1 615 162 68 ILE HB H 1.552 0.020 1 616 162 68 ILE HG12 H 1.158 0.020 2 617 162 68 ILE HG13 H 0.531 0.020 2 618 162 68 ILE HG2 H 0.485 0.020 1 619 162 68 ILE HD1 H 0.274 0.020 1 620 162 68 ILE CA C 65.011 0.300 1 621 162 68 ILE CB C 39.146 0.300 1 622 162 68 ILE CG1 C 28.666 0.300 1 623 162 68 ILE CG2 C 18.735 0.300 1 624 162 68 ILE CD1 C 17.518 0.300 1 625 162 68 ILE N N 119.217 0.300 1 626 163 69 VAL H H 7.859 0.020 1 627 163 69 VAL HA H 4.049 0.020 1 628 163 69 VAL HB H 2.477 0.020 1 629 163 69 VAL HG1 H 0.742 0.020 2 630 163 69 VAL HG2 H 0.971 0.020 2 631 163 69 VAL CA C 64.280 0.300 1 632 163 69 VAL CB C 30.894 0.300 1 633 163 69 VAL CG1 C 21.841 0.300 1 634 163 69 VAL CG2 C 19.727 0.300 1 635 163 69 VAL N N 110.887 0.300 1 636 164 70 ILE H H 7.067 0.020 1 637 164 70 ILE HA H 3.977 0.020 1 638 164 70 ILE HB H 1.929 0.020 1 639 164 70 ILE HG12 H 1.593 0.020 1 640 164 70 ILE HG13 H 1.270 0.020 1 641 164 70 ILE HG2 H 0.989 0.020 1 642 164 70 ILE HD1 H 0.924 0.020 1 643 164 70 ILE CA C 63.278 0.300 1 644 164 70 ILE CB C 38.017 0.300 1 645 164 70 ILE CG1 C 28.140 0.300 1 646 164 70 ILE CG2 C 17.628 0.300 1 647 164 70 ILE CD1 C 13.471 0.300 1 648 164 70 ILE N N 118.719 0.300 1 649 165 71 GLN H H 7.510 0.020 1 650 165 71 GLN HA H 4.447 0.020 1 651 165 71 GLN HE21 H 7.335 0.020 2 652 165 71 GLN HE22 H 6.766 0.020 2 653 165 71 GLN CA C 55.072 0.300 1 654 165 71 GLN N N 120.622 0.300 1 655 165 71 GLN NE2 N 111.811 0.300 1 656 166 72 LYS HA H 3.964 0.020 1 657 166 72 LYS HB2 H 1.584 0.020 2 658 166 72 LYS HB3 H 1.584 0.020 2 659 166 72 LYS HG2 H 0.566 0.020 2 660 166 72 LYS HG3 H 1.234 0.020 2 661 166 72 LYS HD2 H 1.541 0.020 2 662 166 72 LYS HD3 H 1.541 0.020 2 663 166 72 LYS HE2 H 2.829 0.020 2 664 166 72 LYS HE3 H 2.829 0.020 2 665 166 72 LYS CA C 60.392 0.300 1 666 166 72 LYS CB C 33.008 0.300 1 667 166 72 LYS CG C 24.976 0.300 1 668 166 72 LYS CD C 29.456 0.300 1 669 166 72 LYS CE C 41.874 0.300 1 670 167 73 TYR H H 7.881 0.020 1 671 167 73 TYR HA H 5.507 0.020 1 672 167 73 TYR HB2 H 2.631 0.020 1 673 167 73 TYR HB3 H 3.000 0.020 1 674 167 73 TYR HD1 H 7.051 0.020 1 675 167 73 TYR HD2 H 7.051 0.020 1 676 167 73 TYR HE1 H 6.848 0.020 1 677 167 73 TYR HE2 H 6.848 0.020 1 678 167 73 TYR CA C 56.375 0.300 1 679 167 73 TYR CB C 39.834 0.300 1 680 167 73 TYR CD1 C 133.381 0.300 1 681 167 73 TYR CE1 C 117.922 0.300 1 682 167 73 TYR N N 114.940 0.300 1 683 168 74 HIS H H 9.015 0.020 1 684 168 74 HIS HA H 4.511 0.020 1 685 168 74 HIS HB2 H 2.404 0.020 1 686 168 74 HIS HB3 H 2.622 0.020 1 687 168 74 HIS HD2 H 6.773 0.020 1 688 168 74 HIS HE1 H 7.805 0.020 1 689 168 74 HIS CA C 55.102 0.300 1 690 168 74 HIS CB C 35.021 0.300 1 691 168 74 HIS CD2 C 117.815 0.300 1 692 168 74 HIS CE1 C 136.545 0.300 1 693 168 74 HIS N N 122.648 0.300 1 694 169 75 THR H H 8.823 0.020 1 695 169 75 THR HA H 4.329 0.020 1 696 169 75 THR HB H 3.870 0.020 1 697 169 75 THR HG2 H 0.889 0.020 1 698 169 75 THR CA C 61.772 0.300 1 699 169 75 THR CB C 68.467 0.300 1 700 169 75 THR CG2 C 21.130 0.300 1 701 169 75 THR N N 122.004 0.300 1 702 170 76 VAL H H 8.242 0.020 1 703 170 76 VAL HA H 3.745 0.020 1 704 170 76 VAL HB H 1.931 0.020 1 705 170 76 VAL HG1 H 0.060 0.020 2 706 170 76 VAL HG2 H 0.562 0.020 2 707 170 76 VAL CA C 60.600 0.300 1 708 170 76 VAL CB C 34.164 0.300 1 709 170 76 VAL CG1 C 19.894 0.300 1 710 170 76 VAL CG2 C 21.200 0.300 1 711 170 76 VAL N N 125.736 0.300 1 712 171 77 ASN H H 9.416 0.020 1 713 171 77 ASN HA H 4.057 0.020 1 714 171 77 ASN HB2 H 1.533 0.020 2 715 171 77 ASN HB3 H 2.816 0.020 2 716 171 77 ASN CA C 53.031 0.300 1 717 171 77 ASN CB C 37.343 0.300 1 718 171 77 ASN N N 126.727 0.300 1 719 172 78 GLY H H 8.185 0.020 1 720 172 78 GLY HA2 H 3.266 0.020 2 721 172 78 GLY HA3 H 3.628 0.020 2 722 172 78 GLY CA C 45.006 0.300 1 723 172 78 GLY N N 100.557 0.300 1 724 173 79 HIS H H 7.656 0.020 1 725 173 79 HIS HA H 4.806 0.020 1 726 173 79 HIS CA C 53.677 0.300 1 727 173 79 HIS N N 118.920 0.300 1 728 174 80 ASN H H 9.013 0.020 1 729 174 80 ASN HA H 4.859 0.020 1 730 174 80 ASN HB2 H 1.909 0.020 2 731 174 80 ASN HB3 H 1.909 0.020 2 732 174 80 ASN HD21 H 7.304 0.020 2 733 174 80 ASN HD22 H 6.253 0.020 2 734 174 80 ASN CA C 53.448 0.300 1 735 174 80 ASN CB C 33.713 0.300 1 736 174 80 ASN N N 122.313 0.300 1 737 174 80 ASN ND2 N 111.992 0.300 1 738 175 81 CYS H H 9.079 0.020 1 739 175 81 CYS HA H 4.894 0.020 1 740 175 81 CYS HB2 H 2.840 0.020 2 741 175 81 CYS HB3 H 2.840 0.020 2 742 175 81 CYS CA C 59.061 0.300 1 743 175 81 CYS CB C 29.786 0.300 1 744 175 81 CYS N N 126.415 0.300 1 745 176 82 GLU H H 8.174 0.020 1 746 176 82 GLU HA H 4.885 0.020 1 747 176 82 GLU HB2 H 2.018 0.020 2 748 176 82 GLU HB3 H 2.061 0.020 2 749 176 82 GLU HG2 H 2.045 0.020 2 750 176 82 GLU HG3 H 2.101 0.020 2 751 176 82 GLU CA C 55.189 0.300 1 752 176 82 GLU CB C 31.936 0.300 1 753 176 82 GLU CG C 37.183 0.300 1 754 176 82 GLU N N 124.251 0.300 1 755 177 83 VAL H H 8.705 0.020 1 756 177 83 VAL HA H 5.450 0.020 1 757 177 83 VAL HB H 1.907 0.020 1 758 177 83 VAL HG1 H 0.956 0.020 2 759 177 83 VAL HG2 H 0.813 0.020 2 760 177 83 VAL CA C 59.765 0.300 1 761 177 83 VAL CB C 33.996 0.300 1 762 177 83 VAL CG1 C 22.185 0.300 1 763 177 83 VAL CG2 C 22.919 0.300 1 764 177 83 VAL N N 123.148 0.300 1 765 178 84 ARG H H 9.024 0.020 1 766 178 84 ARG HA H 4.832 0.020 1 767 178 84 ARG HB2 H 1.583 0.020 1 768 178 84 ARG HB3 H 2.089 0.020 1 769 178 84 ARG HG2 H 1.495 0.020 1 770 178 84 ARG HG3 H 1.782 0.020 1 771 178 84 ARG HD2 H 2.716 0.020 2 772 178 84 ARG HD3 H 3.309 0.020 2 773 178 84 ARG CA C 53.583 0.300 1 774 178 84 ARG CB C 35.126 0.300 1 775 178 84 ARG CG C 27.167 0.300 1 776 178 84 ARG CD C 43.572 0.300 1 777 178 84 ARG N N 122.138 0.300 1 778 179 85 LYS H H 9.021 0.020 1 779 179 85 LYS HA H 4.060 0.020 1 780 179 85 LYS HB2 H 1.668 0.020 2 781 179 85 LYS HB3 H 1.805 0.020 2 782 179 85 LYS HG2 H 1.262 0.020 2 783 179 85 LYS HG3 H 1.708 0.020 2 784 179 85 LYS HD2 H 1.700 0.020 2 785 179 85 LYS HD3 H 1.812 0.020 2 786 179 85 LYS HE2 H 2.955 0.020 2 787 179 85 LYS HE3 H 3.030 0.020 2 788 179 85 LYS CA C 59.223 0.300 1 789 179 85 LYS CB C 33.099 0.300 1 790 179 85 LYS CG C 27.367 0.300 1 791 179 85 LYS CD C 30.058 0.300 1 792 179 85 LYS CE C 42.281 0.300 1 793 179 85 LYS N N 122.269 0.300 1 794 180 86 ALA H H 8.433 0.020 1 795 180 86 ALA HA H 5.336 0.020 1 796 180 86 ALA HB H 1.368 0.020 1 797 180 86 ALA CA C 52.062 0.300 1 798 180 86 ALA CB C 18.994 0.300 1 799 180 86 ALA N N 126.776 0.300 1 800 181 87 LEU H H 9.959 0.020 1 801 181 87 LEU HA H 4.748 0.020 1 802 181 87 LEU HB2 H 1.360 0.020 2 803 181 87 LEU HB3 H 1.360 0.020 2 804 181 87 LEU HG H 1.665 0.020 1 805 181 87 LEU HD1 H 0.740 0.020 2 806 181 87 LEU HD2 H 0.796 0.020 2 807 181 87 LEU CA C 53.314 0.300 1 808 181 87 LEU CB C 44.197 0.300 1 809 181 87 LEU CG C 27.298 0.300 1 810 181 87 LEU CD1 C 25.453 0.300 1 811 181 87 LEU CD2 C 23.496 0.300 1 812 181 87 LEU N N 126.206 0.300 1 813 182 88 SER H H 9.232 0.020 1 814 182 88 SER HA H 4.455 0.020 1 815 182 88 SER HB2 H 4.038 0.020 2 816 182 88 SER HB3 H 4.251 0.020 2 817 182 88 SER CA C 57.991 0.300 1 818 182 88 SER CB C 64.866 0.300 1 819 182 88 SER N N 120.345 0.300 1 820 183 89 LYS H H 8.854 0.020 1 821 183 89 LYS HA H 3.931 0.020 1 822 183 89 LYS HB2 H 1.698 0.020 2 823 183 89 LYS HB3 H 1.724 0.020 2 824 183 89 LYS HG2 H 1.340 0.020 2 825 183 89 LYS HG3 H 1.379 0.020 2 826 183 89 LYS HD2 H 1.633 0.020 2 827 183 89 LYS HD3 H 1.755 0.020 2 828 183 89 LYS HE2 H 2.863 0.020 2 829 183 89 LYS HE3 H 2.863 0.020 2 830 183 89 LYS CA C 59.826 0.300 1 831 183 89 LYS CB C 32.199 0.300 1 832 183 89 LYS CG C 25.165 0.300 1 833 183 89 LYS CD C 29.289 0.300 1 834 183 89 LYS CE C 41.694 0.300 1 835 183 89 LYS N N 122.377 0.300 1 836 184 90 GLN H H 8.399 0.020 1 837 184 90 GLN HA H 4.051 0.020 1 838 184 90 GLN HB2 H 1.945 0.020 1 839 184 90 GLN HB3 H 2.014 0.020 1 840 184 90 GLN HG2 H 2.325 0.020 2 841 184 90 GLN HG3 H 2.325 0.020 2 842 184 90 GLN CA C 58.655 0.300 1 843 184 90 GLN CB C 28.113 0.300 1 844 184 90 GLN CG C 33.770 0.300 1 845 184 90 GLN N N 118.401 0.300 1 846 185 91 GLU H H 7.883 0.020 1 847 185 91 GLU HA H 4.012 0.020 1 848 185 91 GLU HB2 H 1.895 0.020 1 849 185 91 GLU HB3 H 1.966 0.020 1 850 185 91 GLU HG2 H 2.226 0.020 2 851 185 91 GLU HG3 H 2.226 0.020 2 852 185 91 GLU CA C 58.486 0.300 1 853 185 91 GLU CB C 30.024 0.300 1 854 185 91 GLU CG C 37.274 0.300 1 855 185 91 GLU N N 120.955 0.300 1 856 186 92 MET H H 8.030 0.020 1 857 186 92 MET HA H 4.157 0.020 1 858 186 92 MET HB2 H 2.059 0.020 1 859 186 92 MET HB3 H 2.164 0.020 1 860 186 92 MET HG2 H 1.814 0.020 2 861 186 92 MET HG3 H 1.900 0.020 2 862 186 92 MET HE H 1.264 0.020 1 863 186 92 MET CA C 56.267 0.300 1 864 186 92 MET CB C 31.745 0.300 1 865 186 92 MET CG C 24.770 0.300 1 866 186 92 MET CE C 15.480 0.300 1 867 186 92 MET N N 118.459 0.300 1 868 187 93 ALA H H 7.758 0.020 1 869 187 93 ALA HA H 4.186 0.020 1 870 187 93 ALA HB H 1.390 0.020 1 871 187 93 ALA CA C 53.635 0.300 1 872 187 93 ALA CB C 18.655 0.300 1 873 187 93 ALA N N 122.460 0.300 1 874 188 94 SER H H 7.810 0.020 1 875 188 94 SER HA H 4.341 0.020 1 876 188 94 SER HB2 H 3.897 0.020 2 877 188 94 SER HB3 H 3.897 0.020 2 878 188 94 SER CA C 59.090 0.300 1 879 188 94 SER CB C 63.560 0.300 1 880 188 94 SER N N 113.449 0.300 1 881 189 95 ALA H H 7.899 0.020 1 882 189 95 ALA HA H 4.274 0.020 1 883 189 95 ALA HB H 1.376 0.020 1 884 189 95 ALA CA C 53.015 0.300 1 885 189 95 ALA CB C 18.971 0.300 1 886 189 95 ALA N N 124.954 0.300 1 887 190 96 SER H H 8.045 0.020 1 888 190 96 SER HA H 4.407 0.020 1 889 190 96 SER HB2 H 3.856 0.020 2 890 190 96 SER HB3 H 3.856 0.020 2 891 190 96 SER CA C 58.788 0.300 1 892 190 96 SER CB C 63.592 0.300 1 893 190 96 SER N N 113.929 0.300 1 894 191 97 SER H H 8.157 0.020 1 895 191 97 SER N N 117.234 0.300 1 896 195 101 GLY H H 8.246 0.020 1 897 195 101 GLY HA2 H 3.924 0.020 2 898 195 101 GLY HA3 H 3.924 0.020 2 899 195 101 GLY CA C 45.226 0.300 1 900 195 101 GLY N N 114.239 0.300 1 901 196 102 ARG H H 7.748 0.020 1 902 196 102 ARG N N 125.366 0.300 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HCc(CO)NH TOCSY' '3D hCC(CO)NH TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D F1eF3f 13C-filtered/edited NOESY' '2D F1fF2f 13C-filtered NOESY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_4 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 U H1' H 5.898 0.020 1 2 1 1 U H2' H 4.449 0.020 1 3 1 1 U H3' H 4.623 0.020 1 4 1 1 U H4' H 4.313 0.020 1 5 1 1 U H5 H 5.855 0.020 1 6 1 1 U H5' H 3.822 0.020 2 7 1 1 U H5'' H 3.895 0.020 2 8 1 1 U H6 H 7.874 0.020 1 9 2 2 C H1' H 6.212 0.020 1 10 2 2 C H2' H 4.403 0.020 1 11 2 2 C H3' H 4.829 0.020 1 12 2 2 C H4' H 4.309 0.020 1 13 2 2 C H5 H 6.112 0.020 1 14 2 2 C H5' H 4.221 0.020 2 15 2 2 C H5'' H 4.107 0.020 2 16 2 2 C H6 H 7.922 0.020 1 17 3 3 A H1' H 6.159 0.020 1 18 3 3 A H2 H 8.679 0.020 1 19 3 3 A H2' H 4.709 0.020 1 20 3 3 A H4' H 4.206 0.020 1 21 3 3 A H8 H 7.891 0.020 1 22 4 4 G H1' H 5.880 0.020 1 23 4 4 G H2' H 5.787 0.020 1 24 4 4 G H3' H 5.077 0.020 1 25 4 4 G H4' H 5.073 0.020 1 26 4 4 G H5' H 4.583 0.020 2 27 4 4 G H5'' H 4.666 0.020 2 28 4 4 G H8 H 7.649 0.020 1 29 5 5 U H1' H 5.943 0.020 1 30 5 5 U H2' H 4.537 0.020 1 31 5 5 U H3' H 4.519 0.020 1 32 5 5 U H4' H 4.509 0.020 1 33 5 5 U H5 H 5.992 0.020 1 34 5 5 U H5' H 4.250 0.020 2 35 5 5 U H5'' H 4.364 0.020 2 36 5 5 U H6 H 7.910 0.020 1 37 6 6 U H1' H 5.853 0.020 1 38 6 6 U H2' H 4.262 0.020 1 39 6 6 U H4' H 4.226 0.020 1 40 6 6 U H5 H 5.763 0.020 1 41 6 6 U H5' H 4.130 0.020 2 42 6 6 U H5'' H 4.272 0.020 2 43 6 6 U H6 H 7.824 0.020 1 stop_ save_