data_27813 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Amide chemical shifts of human IMP3 RRM1-2 (1-156) ; _BMRB_accession_number 27813 _BMRB_flat_file_name bmr27813.str _Entry_type original _Submission_date 2019-03-02 _Accession_date 2019-03-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Residues 1-156 Cloning artefact is GAMA, which leads to N-to-A mutation at residue 2 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schlundt Andreas . . 2 Sattler Michael . . 3 Aziz Masood . . 4 Wagner Jacqueline . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 145 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-06-12 update BMRB 'update entry citation' 2019-03-07 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27815 'Human IMP3 KH1-2 amide chemical shifts' 27816 'Human IMP3 KH1-2 delta2 amide chemical shifts' 27827 'Human IMP3 KH1-2 delta 1 amide chemical shifts' stop_ _Original_release_date 2019-03-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Combinatorial recognition of clustered RNA elements by the multidomain RNA-binding protein IMP3. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31118463 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schneider Tim . . 2 Hung Lee-Hsueh . . 3 Aziz Masood . . 4 Wilmen Anna . . 5 Thaum Stephanie . . 6 Wagner Jacqueline . . 7 Janowski Robert . . 8 Mueller Simon . . 9 Schreiner Silke . . 10 Friedhoff Peter . . 11 Huettelmaier Stefan . . 12 Niessing Dierk . . 13 Sattler Michael . . 14 Schlundt Andreas . . 15 Bindereif Albrecht . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2266 _Page_last 2266 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'IMP3 RRM1-2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'IMP3 RRM1-2' $IMP3_(IGF2BP3)_RRM1-2 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_IMP3_(IGF2BP3)_RRM1-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IMP3_(IGF2BP3)_RRM1-2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; GAMAKLYIGNLSENAAPSDL ESIFKDAKIPVSGPFLVKTG YAFVDCPDESWALKAIEALS GKIELHGKPIEVEHSVPKRQ RIRKLQIRNIPPHLQWEVLD SLLVQYGVVESCEQVNTDSE TAVVNVTYSSKDQARQALDK LNGFQLENFTLKVAYIPD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 ALA 3 1 MET 4 2 ALA 5 3 LYS 6 4 LEU 7 5 TYR 8 6 ILE 9 7 GLY 10 8 ASN 11 9 LEU 12 10 SER 13 11 GLU 14 12 ASN 15 13 ALA 16 14 ALA 17 15 PRO 18 16 SER 19 17 ASP 20 18 LEU 21 19 GLU 22 20 SER 23 21 ILE 24 22 PHE 25 23 LYS 26 24 ASP 27 25 ALA 28 26 LYS 29 27 ILE 30 28 PRO 31 29 VAL 32 30 SER 33 31 GLY 34 32 PRO 35 33 PHE 36 34 LEU 37 35 VAL 38 36 LYS 39 37 THR 40 38 GLY 41 39 TYR 42 40 ALA 43 41 PHE 44 42 VAL 45 43 ASP 46 44 CYS 47 45 PRO 48 46 ASP 49 47 GLU 50 48 SER 51 49 TRP 52 50 ALA 53 51 LEU 54 52 LYS 55 53 ALA 56 54 ILE 57 55 GLU 58 56 ALA 59 57 LEU 60 58 SER 61 59 GLY 62 60 LYS 63 61 ILE 64 62 GLU 65 63 LEU 66 64 HIS 67 65 GLY 68 66 LYS 69 67 PRO 70 68 ILE 71 69 GLU 72 70 VAL 73 71 GLU 74 72 HIS 75 73 SER 76 74 VAL 77 75 PRO 78 76 LYS 79 77 ARG 80 78 GLN 81 79 ARG 82 80 ILE 83 81 ARG 84 82 LYS 85 83 LEU 86 84 GLN 87 85 ILE 88 86 ARG 89 87 ASN 90 88 ILE 91 89 PRO 92 90 PRO 93 91 HIS 94 92 LEU 95 93 GLN 96 94 TRP 97 95 GLU 98 96 VAL 99 97 LEU 100 98 ASP 101 99 SER 102 100 LEU 103 101 LEU 104 102 VAL 105 103 GLN 106 104 TYR 107 105 GLY 108 106 VAL 109 107 VAL 110 108 GLU 111 109 SER 112 110 CYS 113 111 GLU 114 112 GLN 115 113 VAL 116 114 ASN 117 115 THR 118 116 ASP 119 117 SER 120 118 GLU 121 119 THR 122 120 ALA 123 121 VAL 124 122 VAL 125 123 ASN 126 124 VAL 127 125 THR 128 126 TYR 129 127 SER 130 128 SER 131 129 LYS 132 130 ASP 133 131 GLN 134 132 ALA 135 133 ARG 136 134 GLN 137 135 ALA 138 136 LEU 139 137 ASP 140 138 LYS 141 139 LEU 142 140 ASN 143 141 GLY 144 142 PHE 145 143 GLN 146 144 LEU 147 145 GLU 148 146 ASN 149 147 PHE 150 148 THR 151 149 LEU 152 150 LYS 153 151 VAL 154 152 ALA 155 153 TYR 156 154 ILE 157 155 PRO 158 156 ASP 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 $IMP3_(IGF2BP3)_RRM1-2 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_name $IMP3_(IGF2BP3)_RRM1-2 'recombinant technology' . Escherichia coli . pETTrx1a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $IMP3_(IGF2BP3)_RRM1-2 0.5 mM 0.2 0.8 '[U-99% 13C; U-99% 15N]' 'sodium chloride' 150 mM . . 'natural abundance' BisTris 20 mM . . 'natural abundance' 'sodium azide' 0.02 % . . 'natural abundance' TCEP 2 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CCPNMR_Analysis _Saveframe_category software _Name CCPNMR_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 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' 0.15 . M 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 H 1 'methyl protons' ppm 0 internal direct . . . 1 urea N 15 nitrogen ppm 0 internal indirect . . . 0.251449530 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 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCACO' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'IMP3 RRM1-2' _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 3 MET H H 8.208 0.023 1 2 1 3 MET N N 118.675 0.119 1 3 2 4 ALA H H 8.018 0.011 1 4 2 4 ALA N N 124.866 0.148 1 5 3 5 LYS H H 8.406 0.029 1 6 3 5 LYS N N 124.067 0.298 1 7 4 6 LEU H H 9.643 0.018 1 8 4 6 LEU N N 127.646 0.150 1 9 5 7 TYR H H 9.511 0.024 1 10 5 7 TYR N N 127.801 0.246 1 11 6 8 ILE H H 8.681 0.034 1 12 6 8 ILE N N 128.213 0.259 1 13 7 9 GLY H H 9.114 0.051 1 14 7 9 GLY N N 111.773 0.130 1 15 8 10 ASN H H 8.010 0.527 1 16 8 10 ASN N N 119.010 1.235 1 17 9 11 LEU H H 7.278 0.010 1 18 9 11 LEU N N 113.639 0.058 1 19 10 12 SER H H 9.072 0.024 1 20 10 12 SER N N 118.154 0.095 1 21 11 13 GLU H H 9.312 0.014 1 22 11 13 GLU N N 124.749 0.116 1 23 12 14 ASN H H 8.094 0.013 1 24 12 14 ASN N N 114.717 0.090 1 25 13 15 ALA H H 7.272 0.014 1 26 13 15 ALA N N 122.926 0.084 1 27 14 16 ALA H H 8.961 0.025 1 28 14 16 ALA N N 125.851 0.064 1 29 16 18 SER H H 8.039 0.207 1 30 16 18 SER N N 108.976 0.416 1 31 17 19 ASP H H 7.407 0.064 1 32 17 19 ASP N N 121.753 0.077 1 33 18 20 LEU H H 6.634 0.018 1 34 18 20 LEU N N 118.778 0.087 1 35 19 21 GLU H H 8.149 0.019 1 36 19 21 GLU N N 118.984 0.109 1 37 20 22 SER H H 7.468 0.013 1 38 20 22 SER N N 113.455 0.099 1 39 21 23 ILE H H 7.245 0.013 1 40 21 23 ILE N N 121.164 0.031 1 41 22 24 PHE H H 8.363 0.018 1 42 22 24 PHE N N 120.456 0.177 1 43 23 25 LYS H H 8.146 0.020 1 44 23 25 LYS N N 119.797 0.134 1 45 24 26 ASP H H 8.511 0.017 1 46 24 26 ASP N N 122.171 0.128 1 47 25 27 ALA H H 7.280 0.012 1 48 25 27 ALA N N 119.481 0.079 1 49 26 28 LYS H H 7.784 0.011 1 50 26 28 LYS N N 114.904 0.089 1 51 27 29 ILE H H 7.919 0.015 1 52 27 29 ILE N N 120.714 0.079 1 53 29 31 VAL H H 7.548 0.010 1 54 29 31 VAL N N 108.136 0.059 1 55 30 32 SER H H 8.647 0.014 1 56 30 32 SER N N 116.671 0.075 1 57 31 33 GLY H H 8.702 0.623 1 58 31 33 GLY N N 113.920 1.680 1 59 33 35 PHE H H 8.684 0.022 1 60 33 35 PHE N N 118.980 0.130 1 61 34 36 LEU H H 8.906 0.016 1 62 34 36 LEU N N 127.290 0.066 1 63 35 37 VAL H H 8.564 0.010 1 64 35 37 VAL N N 125.317 0.079 1 65 36 38 LYS H H 8.627 0.021 1 66 36 38 LYS N N 130.248 0.102 1 67 37 39 THR H H 6.948 0.012 1 68 37 39 THR N N 114.461 0.188 1 69 38 40 GLY H H 7.421 0.368 1 70 38 40 GLY N N 110.377 0.968 1 71 39 41 TYR H H 7.046 0.050 1 72 39 41 TYR N N 115.620 0.096 1 73 40 42 ALA H H 9.222 0.030 1 74 40 42 ALA N N 120.628 0.046 1 75 41 43 PHE H H 8.375 0.026 1 76 41 43 PHE N N 114.486 0.129 1 77 42 44 VAL H H 8.324 0.022 1 78 42 44 VAL N N 118.318 0.170 1 79 43 45 ASP H H 7.857 0.017 1 80 43 45 ASP N N 125.335 0.123 1 81 44 46 CYS H H 8.975 0.031 1 82 44 46 CYS N N 119.169 0.148 1 83 46 48 ASP H H 9.029 0.012 1 84 46 48 ASP N N 118.586 0.237 1 85 47 49 GLU H H 8.618 0.007 1 86 47 49 GLU N N 119.570 0.251 1 87 48 50 SER H H 8.238 0.015 1 88 48 50 SER N N 116.113 0.156 1 89 49 51 TRP H H 8.286 0.035 1 90 49 51 TRP N N 118.288 0.320 1 91 50 52 ALA H H 7.699 0.009 1 92 50 52 ALA N N 121.241 0.192 1 93 51 53 LEU H H 7.894 0.026 1 94 51 53 LEU N N 116.537 0.059 1 95 52 54 LYS H H 7.791 0.012 1 96 52 54 LYS N N 119.176 0.108 1 97 53 55 ALA H H 8.566 0.020 1 98 53 55 ALA N N 122.449 0.097 1 99 54 56 ILE H H 7.968 0.021 1 100 54 56 ILE N N 118.820 0.135 1 101 55 57 GLU H H 8.024 0.009 1 102 55 57 GLU N N 118.927 0.090 1 103 56 58 ALA H H 8.287 0.013 1 104 56 58 ALA N N 117.822 0.076 1 105 57 59 LEU H H 7.772 0.013 1 106 57 59 LEU N N 110.566 0.066 1 107 58 60 SER H H 7.797 0.023 1 108 58 60 SER N N 111.411 0.096 1 109 59 61 GLY H H 9.796 0.016 1 110 59 61 GLY N N 117.971 0.047 1 111 60 62 LYS H H 7.795 0.010 1 112 60 62 LYS N N 118.082 0.043 1 113 61 63 ILE H H 7.038 0.026 1 114 61 63 ILE N N 119.475 0.081 1 115 62 64 GLU H H 8.415 0.010 1 116 62 64 GLU N N 124.958 0.145 1 117 63 65 LEU H H 8.235 0.012 1 118 63 65 LEU N N 123.717 0.052 1 119 64 66 HIS H H 9.424 0.007 1 120 64 66 HIS N N 125.733 0.087 1 121 65 67 GLY H H 8.634 0.009 1 122 65 67 GLY N N 102.891 0.056 1 123 66 68 LYS H H 7.907 0.498 1 124 66 68 LYS N N 115.632 1.291 1 125 68 70 ILE H H 8.350 0.011 1 126 68 70 ILE N N 121.595 0.077 1 127 69 71 GLU H H 7.709 0.007 1 128 69 71 GLU N N 122.968 0.146 1 129 70 72 VAL H H 8.445 0.022 1 130 70 72 VAL N N 123.610 0.184 1 131 71 73 GLU H H 8.668 0.021 1 132 71 73 GLU N N 120.881 0.158 1 133 72 74 HIS H H 8.614 0.016 1 134 72 74 HIS N N 123.108 0.212 1 135 73 75 SER H H 8.339 0.004 1 136 73 75 SER N N 116.258 0.053 1 137 74 76 VAL H H 7.801 0.004 1 138 74 76 VAL N N 118.100 0.067 1 139 76 78 LYS H H 8.408 0.019 1 140 76 78 LYS N N 124.935 0.175 1 141 77 79 ARG H H 9.358 0.015 1 142 77 79 ARG N N 124.855 0.168 1 143 79 81 ARG H H 9.141 0.011 1 144 79 81 ARG N N 122.399 0.110 1 145 80 82 ILE H H 8.411 0.011 1 146 80 82 ILE N N 127.051 0.104 1 147 82 84 LYS H H 9.201 0.032 1 148 82 84 LYS N N 123.102 0.248 1 149 83 85 LEU H H 9.186 0.146 1 150 83 85 LEU N N 122.737 0.725 1 151 84 86 GLN H H 9.352 0.025 1 152 84 86 GLN N N 121.436 0.109 1 153 85 87 ILE H H 9.293 0.011 1 154 85 87 ILE N N 123.162 0.047 1 155 86 88 ARG H H 9.218 0.014 1 156 86 88 ARG N N 123.296 0.074 1 157 87 89 ASN H H 8.957 0.022 1 158 87 89 ASN N N 116.212 0.082 1 159 88 90 ILE H H 7.084 0.000 1 160 88 90 ILE N N 114.772 0.000 1 161 91 93 HIS H H 8.248 0.027 1 162 91 93 HIS N N 114.078 0.081 1 163 92 94 LEU H H 7.135 0.023 1 164 92 94 LEU N N 122.308 0.075 1 165 93 95 GLN H H 7.308 0.011 1 166 93 95 GLN N N 120.248 0.064 1 167 94 96 TRP H H 8.738 0.024 1 168 94 96 TRP N N 126.929 0.126 1 169 95 97 GLU H H 9.332 0.011 1 170 95 97 GLU N N 116.706 0.062 1 171 96 98 VAL H H 7.395 0.014 1 172 96 98 VAL N N 119.965 0.071 1 173 97 99 LEU H H 6.996 0.013 1 174 97 99 LEU N N 121.188 0.050 1 175 98 100 ASP H H 8.363 0.011 1 176 98 100 ASP N N 118.534 0.108 1 177 99 101 SER H H 7.459 0.015 1 178 99 101 SER N N 110.999 0.210 1 179 100 102 LEU H H 7.373 0.049 1 180 100 102 LEU N N 121.798 0.045 1 181 101 103 LEU H H 8.034 0.018 1 182 101 103 LEU N N 115.407 0.131 1 183 102 104 VAL H H 8.087 0.010 1 184 102 104 VAL N N 113.698 0.066 1 185 103 105 GLN H H 7.004 0.017 1 186 103 105 GLN N N 117.746 0.063 1 187 104 106 TYR H H 6.780 0.008 1 188 104 106 TYR N N 113.573 0.084 1 189 105 107 GLY H H 7.136 0.017 1 190 105 107 GLY N N 103.594 0.082 1 191 106 108 VAL H H 7.467 0.020 1 192 106 108 VAL N N 119.081 0.078 1 193 107 109 VAL H H 8.573 0.017 1 194 107 109 VAL N N 129.905 0.131 1 195 108 110 GLU H H 8.803 0.011 1 196 108 110 GLU N N 130.109 0.104 1 197 109 111 SER H H 7.344 0.020 1 198 109 111 SER N N 109.448 0.085 1 199 110 112 CYS H H 8.583 0.016 1 200 110 112 CYS N N 124.284 0.102 1 201 111 113 GLU H H 8.858 0.018 1 202 111 113 GLU N N 125.995 0.074 1 203 112 114 GLN H H 8.848 0.011 1 204 112 114 GLN N N 124.911 0.090 1 205 113 115 VAL H H 8.727 0.016 1 206 113 115 VAL N N 126.961 0.108 1 207 114 116 ASN H H 8.591 0.011 1 208 114 116 ASN N N 124.342 0.251 1 209 115 117 THR H H 8.215 0.024 1 210 115 117 THR N N 116.187 0.136 1 211 116 118 ASP H H 8.386 0.014 1 212 116 118 ASP N N 121.960 0.070 1 213 117 119 SER H H 8.045 0.017 1 214 117 119 SER N N 115.299 0.151 1 215 118 120 GLU H H 8.703 0.018 1 216 118 120 GLU N N 120.891 0.104 1 217 119 121 THR H H 7.479 0.018 1 218 119 121 THR N N 108.428 0.160 1 219 120 122 ALA H H 8.409 0.024 1 220 120 122 ALA N N 124.244 0.167 1 221 121 123 VAL H H 8.368 0.014 1 222 121 123 VAL N N 120.187 0.137 1 223 122 124 VAL H H 8.377 0.003 1 224 122 124 VAL N N 126.304 0.040 1 225 123 125 ASN H H 8.905 0.017 1 226 123 125 ASN N N 122.460 0.119 1 227 124 126 VAL H H 9.765 0.018 1 228 124 126 VAL N N 125.051 0.129 1 229 125 127 THR H H 7.423 0.031 1 230 125 127 THR N N 107.813 0.234 1 231 126 128 TYR H H 8.757 0.014 1 232 126 128 TYR N N 126.821 0.049 1 233 127 129 SER H H 8.515 0.008 1 234 127 129 SER N N 111.789 0.293 1 235 128 130 SER H H 7.456 0.006 1 236 128 130 SER N N 108.800 1.308 1 237 129 131 LYS H H 8.125 0.018 1 238 129 131 LYS N N 111.246 0.258 1 239 130 132 ASP H H 8.420 0.024 1 240 130 132 ASP N N 120.512 0.158 1 241 131 133 GLN H H 7.292 0.017 1 242 131 133 GLN N N 120.256 0.077 1 243 132 134 ALA H H 7.143 0.010 1 244 132 134 ALA N N 118.151 0.052 1 245 133 135 ARG H H 7.765 0.028 1 246 133 135 ARG N N 115.838 0.081 1 247 134 136 GLN H H 7.420 0.026 1 248 134 136 GLN N N 118.275 0.126 1 249 135 137 ALA H H 7.762 0.019 1 250 135 137 ALA N N 120.899 0.143 1 251 136 138 LEU H H 8.002 0.021 1 252 136 138 LEU N N 118.914 0.136 1 253 137 139 ASP H H 7.631 0.016 1 254 137 139 ASP N N 116.051 0.117 1 255 138 140 LYS H H 7.612 0.011 1 256 138 140 LYS N N 115.130 0.128 1 257 139 141 LEU H H 8.588 0.011 1 258 139 141 LEU N N 117.156 0.104 1 259 140 142 ASN H H 7.489 0.013 1 260 140 142 ASN N N 116.442 0.069 1 261 141 143 GLY H H 8.793 0.010 1 262 141 143 GLY N N 117.838 0.033 1 263 142 144 PHE H H 7.964 0.010 1 264 142 144 PHE N N 124.324 0.049 1 265 143 145 GLN H H 7.653 0.013 1 266 143 145 GLN N N 126.989 0.056 1 267 144 146 LEU H H 8.862 0.010 1 268 144 146 LEU N N 128.859 0.054 1 269 145 147 GLU H H 9.088 0.006 1 270 145 147 GLU N N 123.035 0.046 1 271 146 148 ASN H H 8.582 0.015 1 272 146 148 ASN N N 112.488 0.138 1 273 147 149 PHE H H 8.378 0.032 1 274 147 149 PHE N N 121.872 0.255 1 275 148 150 THR H H 8.379 0.015 1 276 148 150 THR N N 117.613 0.089 1 277 149 151 LEU H H 9.318 0.008 1 278 149 151 LEU N N 128.245 0.044 1 279 150 152 LYS H H 7.857 0.012 1 280 150 152 LYS N N 122.172 0.083 1 281 151 153 VAL H H 8.256 0.028 1 282 151 153 VAL N N 123.599 0.126 1 283 152 154 ALA H H 7.639 0.008 1 284 152 154 ALA N N 121.795 0.041 1 285 153 155 TYR H H 7.537 0.327 1 286 153 155 TYR N N 117.518 1.189 1 287 154 156 ILE H H 8.692 0.014 1 288 154 156 ILE N N 128.259 0.038 1 289 156 158 ASP H H 7.827 0.004 1 290 156 158 ASP N N 125.589 0.030 1 stop_ save_