data_26628 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; assignment of HuR RRM1-2 ; _BMRB_accession_number 26628 _BMRB_flat_file_name bmr26628.str _Entry_type original _Submission_date 2015-08-08 _Accession_date 2015-08-08 _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 Wang Zhonghua . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 153 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-11 update BMRB 'update entry citation' 2015-09-23 original author 'original release' stop_ _Original_release_date 2015-09-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Identification of small-molecule inhibitors of the HuR/RNA interaction using a fluorescence polarization screening assay followed by NMR validation. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26390015 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Zhonghua . . 2 Bhattacharya Akash . . 3 Ivanov Dmitri N. . stop_ _Journal_abbreviation 'PLoS One' _Journal_volume 10 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e0138780 _Page_last e0138780 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HuR RRM1-2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RRM1-2 $HuR 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_HuR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HuR _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 193 _Mol_residue_sequence ; MHHHHHHMSNGYEDHMAEDC RGDIGRTNLIVNYLPQNMTQ DELRSLFSSIGEVESAKLIR DKVAGHSLGYGFVNYVTAKD AERAINTLNGLRLQSKTIKV SYARPSSEVIKDANLYISGL PRTMTQKDVEDMFSRFGRII NSRVLVDQTTGLSRGVAFIR FDKRSEAEEAITSFNGHKPP GSSEPITVKFAAN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 MET 2 -5 HIS 3 -4 HIS 4 -3 HIS 5 -2 HIS 6 -1 HIS 7 0 HIS 8 1 MET 9 2 SER 10 3 ASN 11 4 GLY 12 5 TYR 13 6 GLU 14 7 ASP 15 8 HIS 16 9 MET 17 10 ALA 18 11 GLU 19 12 ASP 20 13 CYS 21 14 ARG 22 15 GLY 23 16 ASP 24 17 ILE 25 18 GLY 26 19 ARG 27 20 THR 28 21 ASN 29 22 LEU 30 23 ILE 31 24 VAL 32 25 ASN 33 26 TYR 34 27 LEU 35 28 PRO 36 29 GLN 37 30 ASN 38 31 MET 39 32 THR 40 33 GLN 41 34 ASP 42 35 GLU 43 36 LEU 44 37 ARG 45 38 SER 46 39 LEU 47 40 PHE 48 41 SER 49 42 SER 50 43 ILE 51 44 GLY 52 45 GLU 53 46 VAL 54 47 GLU 55 48 SER 56 49 ALA 57 50 LYS 58 51 LEU 59 52 ILE 60 53 ARG 61 54 ASP 62 55 LYS 63 56 VAL 64 57 ALA 65 58 GLY 66 59 HIS 67 60 SER 68 61 LEU 69 62 GLY 70 63 TYR 71 64 GLY 72 65 PHE 73 66 VAL 74 67 ASN 75 68 TYR 76 69 VAL 77 70 THR 78 71 ALA 79 72 LYS 80 73 ASP 81 74 ALA 82 75 GLU 83 76 ARG 84 77 ALA 85 78 ILE 86 79 ASN 87 80 THR 88 81 LEU 89 82 ASN 90 83 GLY 91 84 LEU 92 85 ARG 93 86 LEU 94 87 GLN 95 88 SER 96 89 LYS 97 90 THR 98 91 ILE 99 92 LYS 100 93 VAL 101 94 SER 102 95 TYR 103 96 ALA 104 97 ARG 105 98 PRO 106 99 SER 107 100 SER 108 101 GLU 109 102 VAL 110 103 ILE 111 104 LYS 112 105 ASP 113 106 ALA 114 107 ASN 115 108 LEU 116 109 TYR 117 110 ILE 118 111 SER 119 112 GLY 120 113 LEU 121 114 PRO 122 115 ARG 123 116 THR 124 117 MET 125 118 THR 126 119 GLN 127 120 LYS 128 121 ASP 129 122 VAL 130 123 GLU 131 124 ASP 132 125 MET 133 126 PHE 134 127 SER 135 128 ARG 136 129 PHE 137 130 GLY 138 131 ARG 139 132 ILE 140 133 ILE 141 134 ASN 142 135 SER 143 136 ARG 144 137 VAL 145 138 LEU 146 139 VAL 147 140 ASP 148 141 GLN 149 142 THR 150 143 THR 151 144 GLY 152 145 LEU 153 146 SER 154 147 ARG 155 148 GLY 156 149 VAL 157 150 ALA 158 151 PHE 159 152 ILE 160 153 ARG 161 154 PHE 162 155 ASP 163 156 LYS 164 157 ARG 165 158 SER 166 159 GLU 167 160 ALA 168 161 GLU 169 162 GLU 170 163 ALA 171 164 ILE 172 165 THR 173 166 SER 174 167 PHE 175 168 ASN 176 169 GLY 177 170 HIS 178 171 LYS 179 172 PRO 180 173 PRO 181 174 GLY 182 175 SER 183 176 SER 184 177 GLU 185 178 PRO 186 179 ILE 187 180 THR 188 181 VAL 189 182 LYS 190 183 PHE 191 184 ALA 192 185 ALA 193 186 ASN 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 $HuR 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 $HuR 'recombinant technology' . Escherichia coli . Pet14b 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 $HuR 0.15 mM 'U-100% 13C; U-100% 15N' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' Nacl 150 mM 'natural abundance' NaPi 50 mM 'natural abundance' TCEP 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_nmrView _Saveframe_category software _Name nmrView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 100 . mM pH 7 . 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 '3D CBCA(CO)NH' 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 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 2 9 SER H H 8.276 0.02 1 2 2 9 SER N N 116.632 0.2 1 3 3 10 ASN H H 8.496 0.02 1 4 3 10 ASN N N 121.903 0.2 1 5 4 11 GLY H H 8.255 0.02 1 6 4 11 GLY N N 108.87 0.2 1 7 5 12 TYR H H 7.924 0.02 1 8 5 12 TYR N N 119.926 0.2 1 9 7 14 ASP H H 8.126 0.02 1 10 7 14 ASP N N 120.867 0.2 1 11 9 16 MET H H 8.22 0.02 1 12 9 16 MET N N 122.106 0.2 1 13 10 17 ALA H H 8.457 0.02 1 14 10 17 ALA N N 124.901 0.2 1 15 11 18 GLU H H 8.372 0.02 1 16 11 18 GLU N N 119.689 0.2 1 17 12 19 ASP H H 8.304 0.02 1 18 12 19 ASP N N 121.396 0.2 1 19 13 20 CYS H H 8.199 0.02 1 20 13 20 CYS N N 119.839 0.2 1 21 14 21 ARG H H 8.206 0.02 1 22 14 21 ARG N N 122.538 0.2 1 23 15 22 GLY H H 8.234 0.02 1 24 15 22 GLY N N 108.822 0.2 1 25 16 23 ASP H H 8.164 0.02 1 26 16 23 ASP N N 120.336 0.2 1 27 17 24 ILE H H 7.84 0.02 1 28 17 24 ILE N N 119.774 0.2 1 29 18 25 GLY H H 8.405 0.02 1 30 18 25 GLY N N 111.35 0.2 1 31 20 27 THR H H 8.069 0.02 1 32 20 27 THR N N 108.853 0.2 1 33 21 28 ASN H H 7.764 0.02 1 34 21 28 ASN N N 120.406 0.2 1 35 22 29 LEU H H 9.614 0.02 1 36 22 29 LEU N N 127.194 0.2 1 37 23 30 ILE H H 9.154 0.02 1 38 23 30 ILE N N 121.436 0.2 1 39 24 31 VAL H H 8.573 0.02 1 40 24 31 VAL N N 128.388 0.2 1 41 26 33 TYR H H 8.297 0.02 1 42 26 33 TYR N N 114.589 0.2 1 43 27 34 LEU H H 8.177 0.02 1 44 27 34 LEU N N 112.331 0.2 1 45 29 36 GLN H H 9.093 0.02 1 46 29 36 GLN N N 123.652 0.2 1 47 30 37 ASN H H 7.848 0.02 1 48 30 37 ASN N N 114.234 0.2 1 49 31 38 MET H H 7.193 0.02 1 50 31 38 MET N N 121.674 0.2 1 51 32 39 THR H H 8.542 0.02 1 52 32 39 THR N N 118.778 0.2 1 53 33 40 GLN H H 9.116 0.02 1 54 33 40 GLN N N 121.049 0.2 1 55 34 41 ASP H H 8.312 0.02 1 56 34 41 ASP N N 118.079 0.2 1 57 35 42 GLU H H 7.595 0.02 1 58 35 42 GLU N N 121.468 0.2 1 59 36 43 LEU H H 8.126 0.02 1 60 36 43 LEU N N 123.096 0.2 1 61 37 44 ARG H H 8.231 0.02 1 62 37 44 ARG N N 118.1 0.2 1 63 38 45 SER H H 8.461 0.02 1 64 38 45 SER N N 116.048 0.2 1 65 39 46 LEU H H 8.004 0.02 1 66 39 46 LEU N N 122.458 0.2 1 67 40 47 PHE H H 7.836 0.02 1 68 40 47 PHE N N 116.813 0.2 1 69 41 48 SER H H 8.892 0.02 1 70 41 48 SER N N 121.403 0.2 1 71 42 49 SER H H 7.249 0.02 1 72 42 49 SER N N 115.697 0.2 1 73 43 50 ILE H H 7.04 0.02 1 74 43 50 ILE N N 120.067 0.2 1 75 44 51 GLY H H 7.081 0.02 1 76 44 51 GLY N N 104.604 0.2 1 77 45 52 GLU H H 8.162 0.02 1 78 45 52 GLU N N 117.149 0.2 1 79 46 53 VAL H H 8.888 0.02 1 80 46 53 VAL N N 129.136 0.2 1 81 47 54 GLU H H 9.152 0.02 1 82 47 54 GLU N N 130.976 0.2 1 83 48 55 SER H H 7.549 0.02 1 84 48 55 SER N N 109.142 0.2 1 85 49 56 ALA H H 8.053 0.02 1 86 49 56 ALA N N 122.959 0.2 1 87 51 58 LEU H H 8.655 0.02 1 88 51 58 LEU N N 126.704 0.2 1 89 52 59 ILE H H 8.147 0.02 1 90 52 59 ILE N N 127.566 0.2 1 91 53 60 ARG H H 8.015 0.02 1 92 53 60 ARG N N 124.789 0.2 1 93 55 62 LYS H H 8.565 0.02 1 94 55 62 LYS N N 122.975 0.2 1 95 56 63 VAL H H 7.998 0.02 1 96 56 63 VAL N N 119.251 0.2 1 97 58 65 GLY H H 7.629 0.02 1 98 58 65 GLY N N 105.16 0.2 1 99 59 66 HIS H H 7.715 0.02 1 100 59 66 HIS N N 118.365 0.2 1 101 60 67 SER H H 8.783 0.02 1 102 60 67 SER N N 114.187 0.2 1 103 61 68 LEU H H 8.979 0.02 1 104 61 68 LEU N N 125.587 0.2 1 105 62 69 GLY H H 9.131 0.02 1 106 62 69 GLY N N 107.766 0.2 1 107 64 71 GLY H H 8.519 0.02 1 108 64 71 GLY N N 104.872 0.2 1 109 65 72 PHE H H 8.677 0.02 1 110 65 72 PHE N N 116.216 0.2 1 111 67 74 ASN H H 8.721 0.02 1 112 67 74 ASN N N 125.3 0.2 1 113 68 75 TYR H H 8.534 0.02 1 114 68 75 TYR N N 125.954 0.2 1 115 70 77 THR H H 8.928 0.02 1 116 70 77 THR N N 109.744 0.2 1 117 71 78 ALA H H 8.731 0.02 1 118 71 78 ALA N N 126.873 0.2 1 119 73 80 ASP H H 7.27 0.02 1 120 73 80 ASP N N 119.915 0.2 1 121 74 81 ALA H H 6.948 0.02 1 122 74 81 ALA N N 122.223 0.2 1 123 75 82 GLU H H 7.644 0.02 1 124 75 82 GLU N N 116.825 0.2 1 125 76 83 ARG H H 7.641 0.02 1 126 76 83 ARG N N 119.223 0.2 1 127 77 84 ALA H H 8.096 0.02 1 128 77 84 ALA N N 124.648 0.2 1 129 78 85 ILE H H 7.758 0.02 1 130 78 85 ILE N N 119.237 0.2 1 131 79 86 ASN H H 7.619 0.02 1 132 79 86 ASN N N 114.606 0.2 1 133 80 87 THR H H 8.062 0.02 1 134 80 87 THR N N 112.159 0.2 1 135 81 88 LEU H H 8.583 0.02 1 136 81 88 LEU N N 119.18 0.2 1 137 82 89 ASN H H 7.363 0.02 1 138 82 89 ASN N N 114.926 0.2 1 139 83 90 GLY H H 8.421 0.02 1 140 83 90 GLY N N 116.534 0.2 1 141 84 91 LEU H H 7.38 0.02 1 142 84 91 LEU N N 123.561 0.2 1 143 85 92 ARG H H 8.154 0.02 1 144 85 92 ARG N N 125.958 0.2 1 145 86 93 LEU H H 8.556 0.02 1 146 86 93 LEU N N 128.501 0.2 1 147 87 94 GLN H H 9.035 0.02 1 148 87 94 GLN N N 120.986 0.2 1 149 89 96 LYS H H 8.112 0.02 1 150 89 96 LYS N N 122.155 0.2 1 151 90 97 THR H H 8.042 0.02 1 152 90 97 THR N N 117.601 0.2 1 153 91 98 ILE H H 8.481 0.02 1 154 91 98 ILE N N 121.333 0.2 1 155 93 100 VAL H H 8.702 0.02 1 156 93 100 VAL N N 126.859 0.2 1 157 94 101 SER H H 8.502 0.02 1 158 94 101 SER N N 119.033 0.2 1 159 95 102 TYR H H 8.244 0.02 1 160 95 102 TYR N N 120.684 0.2 1 161 96 103 ALA H H 8.679 0.02 1 162 96 103 ALA N N 125.382 0.2 1 163 97 104 ARG H H 8.714 0.02 1 164 97 104 ARG N N 121.214 0.2 1 165 102 109 VAL H H 7.989 0.02 1 166 102 109 VAL N N 120.017 0.2 1 167 103 110 ILE H H 7.997 0.02 1 168 103 110 ILE N N 124.038 0.2 1 169 105 112 ASP H H 7.903 0.02 1 170 105 112 ASP N N 121.909 0.2 1 171 106 113 ALA H H 8.422 0.02 1 172 106 113 ALA N N 124.841 0.2 1 173 107 114 ASN H H 8.012 0.02 1 174 107 114 ASN N N 117.989 0.2 1 175 108 115 LEU H H 9.544 0.02 1 176 108 115 LEU N N 125.245 0.2 1 177 109 116 TYR H H 9.122 0.02 1 178 109 116 TYR N N 122.633 0.2 1 179 110 117 ILE H H 8.371 0.02 1 180 110 117 ILE N N 128.688 0.2 1 181 111 118 SER H H 8.669 0.02 1 182 111 118 SER N N 117.711 0.2 1 183 112 119 GLY H H 8.075 0.02 1 184 112 119 GLY N N 108.906 0.2 1 185 113 120 LEU H H 8.374 0.02 1 186 113 120 LEU N N 120.167 0.2 1 187 115 122 ARG H H 9.073 0.02 1 188 115 122 ARG N N 123.768 0.2 1 189 116 123 THR H H 7.101 0.02 1 190 116 123 THR N N 103.882 0.2 1 191 117 124 MET H H 7.072 0.02 1 192 117 124 MET N N 119.85 0.2 1 193 118 125 THR H H 9.23 0.02 1 194 118 125 THR N N 116.675 0.2 1 195 119 126 GLN H H 8.926 0.02 1 196 119 126 GLN N N 120.122 0.2 1 197 120 127 LYS H H 8.026 0.02 1 198 120 127 LYS N N 118.95 0.2 1 199 121 128 ASP H H 7.375 0.02 1 200 121 128 ASP N N 118.516 0.2 1 201 122 129 VAL H H 8.149 0.02 1 202 122 129 VAL N N 121.494 0.2 1 203 123 130 GLU H H 8.294 0.02 1 204 123 130 GLU N N 120.335 0.2 1 205 124 131 ASP H H 8.713 0.02 1 206 124 131 ASP N N 119.217 0.2 1 207 125 132 MET H H 7.741 0.02 1 208 125 132 MET N N 119.744 0.2 1 209 126 133 PHE H H 7.872 0.02 1 210 126 133 PHE N N 113.601 0.2 1 211 127 134 SER H H 8.426 0.02 1 212 127 134 SER N N 117.74 0.2 1 213 128 135 ARG H H 7.071 0.02 1 214 128 135 ARG N N 117.607 0.2 1 215 129 136 PHE H H 7.329 0.02 1 216 129 136 PHE N N 116.81 0.2 1 217 130 137 GLY H H 7.344 0.02 1 218 130 137 GLY N N 104.107 0.2 1 219 131 138 ARG H H 8.172 0.02 1 220 131 138 ARG N N 119.561 0.2 1 221 132 139 ILE H H 8.489 0.02 1 222 132 139 ILE N N 127.785 0.2 1 223 133 140 ILE H H 8.898 0.02 1 224 133 140 ILE N N 127.767 0.2 1 225 134 141 ASN H H 7.328 0.02 1 226 134 141 ASN N N 114.424 0.2 1 227 135 142 SER H H 8.151 0.02 1 228 135 142 SER N N 115.199 0.2 1 229 136 143 ARG H H 8.522 0.02 1 230 136 143 ARG N N 117.808 0.2 1 231 137 144 VAL H H 8.599 0.02 1 232 137 144 VAL N N 123.781 0.2 1 233 138 145 LEU H H 8.561 0.02 1 234 138 145 LEU N N 128.424 0.2 1 235 139 146 VAL H H 8.225 0.02 1 236 139 146 VAL N N 118.656 0.2 1 237 140 147 ASP H H 8.592 0.02 1 238 140 147 ASP N N 125.358 0.2 1 239 141 148 GLN H H 9.104 0.02 1 240 141 148 GLN N N 126.828 0.2 1 241 142 149 THR H H 7.776 0.02 1 242 142 149 THR N N 109.629 0.2 1 243 143 150 THR H H 8.598 0.02 1 244 143 150 THR N N 113.576 0.2 1 245 147 154 ARG H H 8.805 0.02 1 246 147 154 ARG N N 123.386 0.2 1 247 148 155 GLY H H 9.515 0.02 1 248 148 155 GLY N N 109.84 0.2 1 249 150 157 ALA H H 8.98 0.02 1 250 150 157 ALA N N 126.54 0.2 1 251 151 158 PHE H H 8.5 0.02 1 252 151 158 PHE N N 116.44 0.2 1 253 152 159 ILE H H 8.104 0.02 1 254 152 159 ILE N N 120.161 0.2 1 255 153 160 ARG H H 8.392 0.02 1 256 153 160 ARG N N 127.373 0.2 1 257 154 161 PHE H H 8.309 0.02 1 258 154 161 PHE N N 126.791 0.2 1 259 155 162 ASP H H 8.667 0.02 1 260 155 162 ASP N N 120.337 0.2 1 261 156 163 LYS H H 8.33 0.02 1 262 156 163 LYS N N 113.33 0.2 1 263 157 164 ARG H H 8.998 0.02 1 264 157 164 ARG N N 125.541 0.2 1 265 158 165 SER H H 8.74 0.02 1 266 158 165 SER N N 121.24 0.2 1 267 159 166 GLU H H 6.788 0.02 1 268 159 166 GLU N N 124.124 0.2 1 269 160 167 ALA H H 6.675 0.02 1 270 160 167 ALA N N 119.58 0.2 1 271 161 168 GLU H H 8.534 0.02 1 272 161 168 GLU N N 115.264 0.2 1 273 162 169 GLU H H 7.371 0.02 1 274 162 169 GLU N N 120.239 0.2 1 275 163 170 ALA H H 7.199 0.02 1 276 163 170 ALA N N 123.104 0.2 1 277 164 171 ILE H H 7.555 0.02 1 278 164 171 ILE N N 117.747 0.2 1 279 165 172 THR H H 8 0.02 1 280 165 172 THR N N 114.816 0.2 1 281 166 173 SER H H 7.91 0.02 1 282 166 173 SER N N 115.162 0.2 1 283 167 174 PHE H H 8.015 0.02 1 284 167 174 PHE N N 116.912 0.2 1 285 168 175 ASN H H 8.602 0.02 1 286 168 175 ASN N N 119.05 0.2 1 287 169 176 GLY H H 9.275 0.02 1 288 169 176 GLY N N 118.121 0.2 1 289 174 181 GLY H H 8.571 0.02 1 290 174 181 GLY N N 112.633 0.2 1 291 175 182 SER H H 7.726 0.02 1 292 175 182 SER N N 114.788 0.2 1 293 177 184 GLU H H 7.785 0.02 1 294 177 184 GLU N N 121.799 0.2 1 295 181 188 VAL H H 8.6 0.02 1 296 181 188 VAL N N 124.692 0.2 1 297 182 189 LYS H H 8.629 0.02 1 298 182 189 LYS N N 122.588 0.2 1 299 183 190 PHE H H 8.505 0.02 1 300 183 190 PHE N N 119.699 0.2 1 301 184 191 ALA H H 8.71 0.02 1 302 184 191 ALA N N 125.261 0.2 1 303 185 192 ALA H H 8.516 0.02 1 304 185 192 ALA N N 122.982 0.2 1 305 186 193 ASN H H 7.831 0.02 1 306 186 193 ASN N N 123.112 0.2 1 stop_ save_