data_27002 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of HuR RRM1-RRM2 tandem domain ; _BMRB_accession_number 27002 _BMRB_flat_file_name bmr27002.str _Entry_type original _Submission_date 2017-01-19 _Accession_date 2017-01-19 _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 Lal Preet . . 2 Cerofolini Linda . . 3 D'Agostino 'Vito Giuseppe' . . 4 Zucal Chiara . . 5 Fuccio Carmelo . . 6 Bonomo Isabelle . . 7 Luchinat Claudio . . 8 'Di Maio' Danilo . . 9 Novellino Ettore . . 10 Biasini Emiliano . . 11 Elezgarai Saioa . . 12 Manzoni Leonardo . . 13 Seneci Pierfausto . . 14 Marinelli Luciana . . 15 Fragai Marco . . 16 Provenzani Alessandro . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 195 "13C chemical shifts" 582 "15N chemical shifts" 193 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-16 original BMRB . stop_ _Original_release_date 2017-01-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Regulation of HuR structure and function by dihydrotanshinone-I. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28934484 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lal Preet . . 2 Cerofolini Linda . . 3 D'Agostino 'Vito Giuseppe' G. . 4 Zucal Chiara . . 5 Fuccio Carmelo . . 6 Bonomo Isabelle . . 7 Dassi Erik . . 8 Giuntini Stefano . . 9 'Di Maio' Danilo . . 10 Vishwakarma Vikalp . . 11 Preet Ranjan . . 12 Williams 'Sha Neisha' N. . 13 Fairlamb Max S. . 14 Munk Rachel . . 15 Lehrmann Elin . . 16 Abdelmohsen Kotb . . 17 Elezgarai Saioa R. . 18 Luchinat Claudio . . 19 Novellino Ettore . . 20 Quattrone Alessandro . . 21 Biasini Emiliano . . 22 Manzoni Leonardo . . 23 Gorospe Myriam . . 24 Dixon Dan A. . 25 Seneci Pierfausto . . 26 Marinelli Luciana . . 27 Fragai Marco . . 28 Provenzani Alessandro . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 45 _Journal_issue 16 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9514 _Page_last 9527 _Year 2017 _Details . loop_ _Keyword 'HuR inhibition' 'NMR spectroscopy' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HuR RRM1-RRM2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HuR RRM-RRM2' $HuR_RRM1-RRM2 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_RRM1-RRM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HuR_RRM1-RRM2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 210 _Mol_residue_sequence ; MSNGYEDHMAEDCRGDIGRT NLIVNYLPQNMTQDELRSLF SSIGEVESAKLIRDKVAGHS LGYGFVNYVTAKDAERAINT LNGLRLQSKTIKVSYARPSS EVIKDANLYISGLPRTMTQK DVEDMFSRFGRIINSRVLVD QTTGLSRGVAFIRFDKRSEA EEAITSFNGHKPPGSSEPIA VKFAANPNQNKNVALLSPRA PPPPPPPLID ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 ASN 4 4 GLY 5 5 TYR 6 6 GLU 7 7 ASP 8 8 HIS 9 9 MET 10 10 ALA 11 11 GLU 12 12 ASP 13 13 CYS 14 14 ARG 15 15 GLY 16 16 ASP 17 17 ILE 18 18 GLY 19 19 ARG 20 20 THR 21 21 ASN 22 22 LEU 23 23 ILE 24 24 VAL 25 25 ASN 26 26 TYR 27 27 LEU 28 28 PRO 29 29 GLN 30 30 ASN 31 31 MET 32 32 THR 33 33 GLN 34 34 ASP 35 35 GLU 36 36 LEU 37 37 ARG 38 38 SER 39 39 LEU 40 40 PHE 41 41 SER 42 42 SER 43 43 ILE 44 44 GLY 45 45 GLU 46 46 VAL 47 47 GLU 48 48 SER 49 49 ALA 50 50 LYS 51 51 LEU 52 52 ILE 53 53 ARG 54 54 ASP 55 55 LYS 56 56 VAL 57 57 ALA 58 58 GLY 59 59 HIS 60 60 SER 61 61 LEU 62 62 GLY 63 63 TYR 64 64 GLY 65 65 PHE 66 66 VAL 67 67 ASN 68 68 TYR 69 69 VAL 70 70 THR 71 71 ALA 72 72 LYS 73 73 ASP 74 74 ALA 75 75 GLU 76 76 ARG 77 77 ALA 78 78 ILE 79 79 ASN 80 80 THR 81 81 LEU 82 82 ASN 83 83 GLY 84 84 LEU 85 85 ARG 86 86 LEU 87 87 GLN 88 88 SER 89 89 LYS 90 90 THR 91 91 ILE 92 92 LYS 93 93 VAL 94 94 SER 95 95 TYR 96 96 ALA 97 97 ARG 98 98 PRO 99 99 SER 100 100 SER 101 101 GLU 102 102 VAL 103 103 ILE 104 104 LYS 105 105 ASP 106 106 ALA 107 107 ASN 108 108 LEU 109 109 TYR 110 110 ILE 111 111 SER 112 112 GLY 113 113 LEU 114 114 PRO 115 115 ARG 116 116 THR 117 117 MET 118 118 THR 119 119 GLN 120 120 LYS 121 121 ASP 122 122 VAL 123 123 GLU 124 124 ASP 125 125 MET 126 126 PHE 127 127 SER 128 128 ARG 129 129 PHE 130 130 GLY 131 131 ARG 132 132 ILE 133 133 ILE 134 134 ASN 135 135 SER 136 136 ARG 137 137 VAL 138 138 LEU 139 139 VAL 140 140 ASP 141 141 GLN 142 142 THR 143 143 THR 144 144 GLY 145 145 LEU 146 146 SER 147 147 ARG 148 148 GLY 149 149 VAL 150 150 ALA 151 151 PHE 152 152 ILE 153 153 ARG 154 154 PHE 155 155 ASP 156 156 LYS 157 157 ARG 158 158 SER 159 159 GLU 160 160 ALA 161 161 GLU 162 162 GLU 163 163 ALA 164 164 ILE 165 165 THR 166 166 SER 167 167 PHE 168 168 ASN 169 169 GLY 170 170 HIS 171 171 LYS 172 172 PRO 173 173 PRO 174 174 GLY 175 175 SER 176 176 SER 177 177 GLU 178 178 PRO 179 179 ILE 180 180 ALA 181 181 VAL 182 182 LYS 183 183 PHE 184 184 ALA 185 185 ALA 186 186 ASN 187 187 PRO 188 188 ASN 189 189 GLN 190 190 ASN 191 191 LYS 192 192 ASN 193 193 VAL 194 194 ALA 195 195 LEU 196 196 LEU 197 197 SER 198 198 PRO 199 199 ARG 200 200 ALA 201 201 PRO 202 202 PRO 203 203 PRO 204 204 PRO 205 205 PRO 206 206 PRO 207 207 PRO 208 208 LEU 209 209 ILE 210 210 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 $HuR_RRM1-RRM2 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_RRM1-RRM2 'recombinant technology' . Escherichia coli . pET-42a 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_RRM1-RRM2 0.4 mM '[U-100% 13C; U-100% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_2D_CON_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CON' _Sample_label $sample_1 save_ save_2D_CACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CACO' _Sample_label $sample_1 save_ save_2D_CBCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CBCACO' _Sample_label $sample_1 save_ save_3D_CBCANCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANCO' _Sample_label $sample_1 save_ save_3D_CBCACON_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACON' _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' 0.1 . M pH 6 . 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 1H-15N HSQC' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '2D CON' '2D CACO' '2D CBCACO' '3D CBCANCO' '3D CBCACON' 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 'HuR RRM-RRM2' _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 MET C C 176.242 0.3 1 2 1 1 MET CA C 55.364 0.3 1 3 1 1 MET CB C 32.698 0.3 1 4 2 2 SER H H 8.314 0.020 1 5 2 2 SER C C 174.383 0.3 1 6 2 2 SER CA C 58.317 0.3 1 7 2 2 SER CB C 63.757 0.3 1 8 2 2 SER N N 116.780 0.3 1 9 3 3 ASN H H 8.526 0.020 1 10 3 3 ASN C C 175.564 0.3 1 11 3 3 ASN CA C 53.343 0.3 1 12 3 3 ASN CB C 38.729 0.3 1 13 3 3 ASN N N 120.542 0.3 1 14 4 4 GLY H H 8.385 0.020 1 15 4 4 GLY C C 173.914 0.3 1 16 4 4 GLY CA C 45.384 0.3 1 17 4 4 GLY N N 108.523 0.3 1 18 5 5 TYR H H 8.001 0.020 1 19 5 5 TYR C C 175.799 0.3 1 20 5 5 TYR CA C 58.089 0.3 1 21 5 5 TYR CB C 38.703 0.3 1 22 5 5 TYR N N 119.907 0.3 1 23 6 6 GLU H H 8.361 0.020 1 24 6 6 GLU C C 175.840 0.3 1 25 6 6 GLU CA C 56.589 0.3 1 26 6 6 GLU CB C 30.164 0.3 1 27 6 6 GLU N N 122.301 0.3 1 28 7 7 ASP H H 8.205 0.020 1 29 7 7 ASP C C 176.152 0.3 1 30 7 7 ASP CA C 54.406 0.3 1 31 7 7 ASP CB C 41.127 0.3 1 32 7 7 ASP CG C 180.113 0.3 1 33 7 7 ASP N N 120.835 0.3 1 34 8 8 HIS H H 8.369 0.020 1 35 8 8 HIS C C 174.743 0.3 1 36 8 8 HIS CA C 55.835 0.3 1 37 8 8 HIS CB C 29.069 0.3 1 38 8 8 HIS N N 118.637 0.3 1 39 9 9 MET H H 8.307 0.020 1 40 9 9 MET C C 176.095 0.3 1 41 9 9 MET CA C 55.893 0.3 1 42 9 9 MET CB C 32.482 0.3 1 43 9 9 MET N N 120.928 0.3 1 44 10 10 ALA H H 8.260 0.020 1 45 10 10 ALA C C 177.914 0.3 1 46 10 10 ALA CA C 52.768 0.3 1 47 10 10 ALA CB C 19.224 0.3 1 48 10 10 ALA N N 124.597 0.3 1 49 11 11 GLU H H 8.332 0.020 1 50 11 11 GLU C C 176.451 0.3 1 51 11 11 GLU CA C 56.968 0.3 1 52 11 11 GLU CB C 30.081 0.3 1 53 11 11 GLU N N 119.621 0.3 1 54 12 12 ASP H H 8.328 0.020 1 55 12 12 ASP C C 176.438 0.3 1 56 12 12 ASP CA C 54.372 0.3 1 57 12 12 ASP CB C 41.064 0.3 1 58 12 12 ASP CG C 179.816 0.3 1 59 12 12 ASP N N 120.626 0.3 1 60 13 13 CYS H H 8.267 0.020 1 61 13 13 CYS C C 174.926 0.3 1 62 13 13 CYS CA C 58.694 0.3 1 63 13 13 CYS CB C 27.664 0.3 1 64 13 13 CYS N N 119.370 0.3 1 65 14 14 ARG H H 8.291 0.020 1 66 14 14 ARG C C 176.908 0.3 1 67 14 14 ARG CA C 56.721 0.3 1 68 14 14 ARG CB C 30.358 0.3 1 69 14 14 ARG N N 122.447 0.3 1 70 15 15 GLY H H 8.338 0.020 1 71 15 15 GLY C C 174.840 0.3 1 72 15 15 GLY CA C 45.342 0.3 1 73 15 15 GLY N N 108.865 0.3 1 74 16 16 ASP H H 8.445 0.020 1 75 16 16 ASP C C 176.483 0.3 1 76 16 16 ASP CA C 53.329 0.3 1 77 16 16 ASP CB C 40.970 0.3 1 78 16 16 ASP N N 119.752 0.3 1 79 17 17 ILE H H 7.927 0.020 1 80 17 17 ILE C C 176.735 0.3 1 81 17 17 ILE CA C 61.500 0.3 1 82 17 17 ILE CB C 38.444 0.3 1 83 17 17 ILE N N 119.729 0.3 1 84 18 18 GLY H H 8.487 0.020 1 85 18 18 GLY C C 174.388 0.3 1 86 18 18 GLY CA C 45.540 0.3 1 87 18 18 GLY N N 111.308 0.3 1 88 19 19 ARG H H 8.082 0.020 1 89 19 19 ARG C C 175.591 0.3 1 90 19 19 ARG CA C 56.664 0.3 1 91 19 19 ARG CB C 31.372 0.3 1 92 19 19 ARG N N 119.969 0.3 1 93 20 20 THR H H 8.142 0.020 1 94 20 20 THR C C 174.148 0.3 1 95 20 20 THR CA C 62.088 0.3 1 96 20 20 THR CB C 69.828 0.3 1 97 20 20 THR N N 108.572 0.3 1 98 21 21 ASN H H 7.876 0.020 1 99 21 21 ASN HD21 H 7.340 0.020 1 100 21 21 ASN HD22 H 6.330 0.020 1 101 21 21 ASN C C 175.045 0.3 1 102 21 21 ASN CA C 53.735 0.3 1 103 21 21 ASN CB C 39.899 0.3 1 104 21 21 ASN N N 120.347 0.3 1 105 21 21 ASN ND2 N 110.146 0.3 1 106 22 22 LEU H H 9.732 0.020 1 107 22 22 LEU C C 176.348 0.3 1 108 22 22 LEU CA C 53.654 0.3 1 109 22 22 LEU CB C 44.411 0.3 1 110 22 22 LEU N N 127.040 0.3 1 111 23 23 ILE H H 9.223 0.020 1 112 23 23 ILE C C 173.318 0.3 1 113 23 23 ILE CA C 58.927 0.3 1 114 23 23 ILE CB C 40.937 0.3 1 115 23 23 ILE N N 121.079 0.3 1 116 24 24 VAL H H 8.714 0.020 1 117 24 24 VAL C C 173.878 0.3 1 118 24 24 VAL CA C 59.140 0.3 1 119 24 24 VAL CB C 33.535 0.3 1 120 24 24 VAL N N 127.968 0.3 1 121 25 25 ASN H H 9.192 0.020 1 122 25 25 ASN HD21 H 7.200 0.020 1 123 25 25 ASN HD22 H 6.180 0.020 1 124 25 25 ASN C C 173.413 0.3 1 125 25 25 ASN CA C 51.484 0.3 1 126 25 25 ASN CB C 42.774 0.3 1 127 25 25 ASN N N 123.718 0.3 1 128 25 25 ASN ND2 N 109.269 0.3 1 129 26 26 TYR H H 8.393 0.020 1 130 26 26 TYR C C 173.988 0.3 1 131 26 26 TYR CA C 57.227 0.3 1 132 26 26 TYR CB C 34.439 0.3 1 133 26 26 TYR N N 114.484 0.3 1 134 27 27 LEU H H 7.923 0.020 1 135 27 27 LEU C C 176.038 0.3 1 136 27 27 LEU CA C 52.546 0.3 1 137 27 27 LEU CB C 41.289 0.3 1 138 27 27 LEU N N 114.288 0.3 1 139 28 28 PRO C C 178.629 0.3 1 140 28 28 PRO CA C 62.871 0.3 1 141 28 28 PRO CB C 32.304 0.3 1 142 29 29 GLN H H 9.077 0.020 1 143 29 29 GLN C C 175.545 0.3 1 144 29 29 GLN CA C 58.954 0.3 1 145 29 29 GLN CB C 28.690 0.3 1 146 29 29 GLN CG C 33.751 0.3 1 147 29 29 GLN CD C 180.352 0.3 1 148 29 29 GLN N N 124.788 0.3 1 149 30 30 ASN H H 8.275 0.020 1 150 30 30 ASN C C 175.545 0.3 1 151 30 30 ASN CA C 52.379 0.3 1 152 30 30 ASN CB C 37.533 0.3 1 153 30 30 ASN N N 112.481 0.3 1 154 31 31 MET H H 7.280 0.020 1 155 31 31 MET C C 176.572 0.3 1 156 31 31 MET CA C 56.602 0.3 1 157 31 31 MET CB C 33.844 0.3 1 158 31 31 MET N N 121.617 0.3 1 159 32 32 THR H H 8.623 0.020 1 160 32 32 THR C C 175.426 0.3 1 161 32 32 THR CA C 60.414 0.3 1 162 32 32 THR CB C 71.598 0.3 1 163 32 32 THR N N 118.476 0.3 1 164 33 33 GLN H H 9.219 0.020 1 165 33 33 GLN C C 177.315 0.3 1 166 33 33 GLN CA C 60.270 0.3 1 167 33 33 GLN CB C 29.615 0.3 1 168 33 33 GLN N N 121.425 0.3 1 169 34 34 ASP H H 8.380 0.020 1 170 34 34 ASP C C 175.318 0.3 1 171 34 34 ASP CA C 57.400 0.3 1 172 34 34 ASP CB C 40.417 0.3 1 173 34 34 ASP N N 118.029 0.3 1 174 35 35 GLU H H 7.696 0.020 1 175 35 35 GLU C C 179.530 0.3 1 176 35 35 GLU CA C 59.043 0.3 1 177 35 35 GLU CB C 30.306 0.3 1 178 35 35 GLU N N 121.470 0.3 1 179 36 36 LEU H H 8.213 0.020 1 180 36 36 LEU C C 177.692 0.3 1 181 36 36 LEU CA C 58.519 0.3 1 182 36 36 LEU CB C 41.596 0.3 1 183 36 36 LEU N N 122.887 0.3 1 184 37 37 ARG H H 8.330 0.020 1 185 37 37 ARG C C 179.262 0.3 1 186 37 37 ARG CA C 60.609 0.3 1 187 37 37 ARG CB C 29.777 0.3 1 188 37 37 ARG N N 118.099 0.3 1 189 38 38 SER H H 8.557 0.020 1 190 38 38 SER C C 177.007 0.3 1 191 38 38 SER CA C 62.098 0.3 1 192 38 38 SER CB C 62.829 0.3 1 193 38 38 SER N N 116.096 0.3 1 194 39 39 LEU H H 8.103 0.020 1 195 39 39 LEU C C 179.173 0.3 1 196 39 39 LEU CA C 58.075 0.3 1 197 39 39 LEU CB C 41.284 0.3 1 198 39 39 LEU N N 122.789 0.3 1 199 40 40 PHE H H 7.938 0.020 1 200 40 40 PHE C C 179.932 0.3 1 201 40 40 PHE CA C 61.815 0.3 1 202 40 40 PHE CB C 37.790 0.3 1 203 40 40 PHE N N 116.731 0.3 1 204 41 41 SER H H 8.996 0.020 1 205 41 41 SER C C 174.466 0.3 1 206 41 41 SER CA C 60.907 0.3 1 207 41 41 SER CB C 62.822 0.3 1 208 41 41 SER N N 121.324 0.3 1 209 42 42 SER H H 7.359 0.020 1 210 42 42 SER C C 174.972 0.3 1 211 42 42 SER CA C 60.775 0.3 1 212 42 42 SER CB C 62.864 0.3 1 213 42 42 SER N N 115.705 0.3 1 214 43 43 ILE H H 7.136 0.020 1 215 43 43 ILE C C 175.590 0.3 1 216 43 43 ILE CA C 60.283 0.3 1 217 43 43 ILE CB C 37.689 0.3 1 218 43 43 ILE N N 119.975 0.3 1 219 44 44 GLY H H 7.186 0.020 1 220 44 44 GLY C C 171.056 0.3 1 221 44 44 GLY CA C 44.617 0.3 1 222 44 44 GLY N N 104.664 0.3 1 223 45 45 GLU H H 8.252 0.020 1 224 45 45 GLU C C 176.671 0.3 1 225 45 45 GLU CA C 58.004 0.3 1 226 45 45 GLU CB C 29.812 0.3 1 227 45 45 GLU N N 117.171 0.3 1 228 46 46 VAL H H 8.957 0.020 1 229 46 46 VAL C C 175.678 0.3 1 230 46 46 VAL CA C 62.179 0.3 1 231 46 46 VAL CB C 33.848 0.3 1 232 46 46 VAL N N 128.994 0.3 1 233 47 47 GLU H H 9.239 0.020 1 234 47 47 GLU C C 176.338 0.3 1 235 47 47 GLU CA C 58.749 0.3 1 236 47 47 GLU CB C 29.815 0.3 1 237 47 47 GLU N N 130.802 0.3 1 238 48 48 SER H H 7.649 0.020 1 239 48 48 SER C C 171.722 0.3 1 240 48 48 SER CA C 57.700 0.3 1 241 48 48 SER CB C 64.985 0.3 1 242 48 48 SER N N 109.110 0.3 1 243 49 49 ALA H H 8.142 0.020 1 244 49 49 ALA C C 174.896 0.3 1 245 49 49 ALA CA C 50.949 0.3 1 246 49 49 ALA CB C 20.790 0.3 1 247 49 49 ALA N N 123.034 0.3 1 248 50 50 LYS H H 8.988 0.020 1 249 50 50 LYS C C 173.914 0.3 1 250 50 50 LYS CA C 54.446 0.3 1 251 50 50 LYS CB C 36.155 0.3 1 252 50 50 LYS N N 122.399 0.3 1 253 51 51 LEU H H 8.730 0.020 1 254 51 51 LEU C C 173.843 0.3 1 255 51 51 LEU CA C 53.863 0.3 1 256 51 51 LEU CB C 44.846 0.3 1 257 51 51 LEU N N 126.551 0.3 1 258 52 52 ILE H H 8.271 0.020 1 259 52 52 ILE C C 174.367 0.3 1 260 52 52 ILE CA C 59.546 0.3 1 261 52 52 ILE CB C 34.020 0.3 1 262 52 52 ILE N N 127.442 0.3 1 263 53 53 ARG H H 8.111 0.020 1 264 53 53 ARG C C 175.853 0.3 1 265 53 53 ARG CA C 53.921 0.3 1 266 53 53 ARG CB C 33.694 0.3 1 267 53 53 ARG N N 124.890 0.3 1 268 54 54 ASP H H 8.612 0.020 1 269 54 54 ASP C C 177.266 0.3 1 270 54 54 ASP CA C 54.360 0.3 1 271 54 54 ASP CB C 42.909 0.3 1 272 54 54 ASP N N 121.861 0.3 1 273 55 55 LYS H H 8.702 0.020 1 274 55 55 LYS C C 176.764 0.3 1 275 55 55 LYS CA C 58.139 0.3 1 276 55 55 LYS CB C 33.010 0.3 1 277 55 55 LYS N N 124.604 0.3 1 278 56 56 VAL H H 8.139 0.020 1 279 56 56 VAL C C 176.889 0.3 1 280 56 56 VAL CA C 64.502 0.3 1 281 56 56 VAL CB C 32.489 0.3 1 282 56 56 VAL N N 119.541 0.3 1 283 57 57 ALA H H 8.886 0.020 1 284 57 57 ALA C C 178.976 0.3 1 285 57 57 ALA CA C 52.423 0.3 1 286 57 57 ALA CB C 19.933 0.3 1 287 57 57 ALA N N 122.594 0.3 1 288 58 58 GLY H H 7.797 0.020 1 289 58 58 GLY C C 174.232 0.3 1 290 58 58 GLY CA C 46.056 0.3 1 291 58 58 GLY N N 105.641 0.3 1 292 59 59 HIS H H 7.663 0.020 1 293 59 59 HIS C C 174.934 0.3 1 294 59 59 HIS CA C 54.868 0.3 1 295 59 59 HIS CB C 30.696 0.3 1 296 59 59 HIS N N 117.661 0.3 1 297 60 60 SER H H 8.878 0.020 1 298 60 60 SER C C 176.355 0.3 1 299 60 60 SER CA C 58.461 0.3 1 300 60 60 SER CB C 64.229 0.3 1 301 60 60 SER N N 114.875 0.3 1 302 61 61 LEU H H 9.045 0.020 1 303 61 61 LEU C C 178.393 0.3 1 304 61 61 LEU CA C 54.690 0.3 1 305 61 61 LEU CB C 41.381 0.3 1 306 61 61 LEU N N 125.639 0.3 1 307 62 62 GLY H H 9.184 0.020 1 308 62 62 GLY C C 172.019 0.3 1 309 62 62 GLY CA C 46.130 0.3 1 310 62 62 GLY N N 107.937 0.3 1 311 63 63 TYR H H 7.398 0.020 1 312 63 63 TYR C C 172.318 0.3 1 313 63 63 TYR CA C 54.974 0.3 1 314 63 63 TYR CB C 40.650 0.3 1 315 63 63 TYR N N 113.409 0.3 1 316 64 64 GLY H H 8.660 0.020 1 317 64 64 GLY C C 169.919 0.3 1 318 64 64 GLY CA C 45.022 0.3 1 319 64 64 GLY N N 104.970 0.3 1 320 65 65 PHE H H 8.784 0.020 1 321 65 65 PHE C C 175.736 0.3 1 322 65 65 PHE CA C 56.058 0.3 1 323 65 65 PHE CB C 42.716 0.3 1 324 65 65 PHE N N 116.438 0.3 1 325 66 66 VAL H H 8.667 0.020 1 326 66 66 VAL C C 172.485 0.3 1 327 66 66 VAL CA C 61.332 0.3 1 328 66 66 VAL CB C 35.632 0.3 1 329 66 66 VAL N N 122.838 0.3 1 330 67 67 ASN H H 8.824 0.020 1 331 67 67 ASN C C 175.892 0.3 1 332 67 67 ASN CA C 51.267 0.3 1 333 67 67 ASN CB C 40.340 0.3 1 334 67 67 ASN N N 125.294 0.3 1 335 68 68 TYR H H 8.636 0.020 1 336 68 68 TYR C C 174.616 0.3 1 337 68 68 TYR CA C 60.601 0.3 1 338 68 68 TYR CB C 40.516 0.3 1 339 68 68 TYR N N 125.965 0.3 1 340 69 69 VAL H H 7.829 0.020 1 341 69 69 VAL C C 176.956 0.3 1 342 69 69 VAL CA C 66.416 0.3 1 343 69 69 VAL CB C 31.787 0.3 1 344 69 69 VAL N N 118.344 0.3 1 345 70 70 THR H H 9.012 0.020 1 346 70 70 THR C C 174.717 0.3 1 347 70 70 THR CA C 59.650 0.3 1 348 70 70 THR CB C 71.569 0.3 1 349 70 70 THR N N 109.647 0.3 1 350 71 71 ALA H H 8.824 0.020 1 351 71 71 ALA C C 180.617 0.3 1 352 71 71 ALA CA C 54.670 0.3 1 353 71 71 ALA CB C 18.060 0.3 1 354 71 71 ALA N N 126.885 0.3 1 355 72 72 LYS H H 8.416 0.020 1 356 72 72 LYS C C 178.879 0.3 1 357 72 72 LYS CA C 58.778 0.3 1 358 72 72 LYS CB C 31.670 0.3 1 359 72 72 LYS N N 118.734 0.3 1 360 73 73 ASP H H 7.374 0.020 1 361 73 73 ASP C C 176.505 0.3 1 362 73 73 ASP CA C 56.915 0.3 1 363 73 73 ASP CB C 39.483 0.3 1 364 73 73 ASP N N 119.956 0.3 1 365 74 74 ALA H H 7.053 0.020 1 366 74 74 ALA C C 178.525 0.3 1 367 74 74 ALA CA C 55.406 0.3 1 368 74 74 ALA CB C 17.962 0.3 1 369 74 74 ALA N N 122.203 0.3 1 370 75 75 GLU H H 7.750 0.020 1 371 75 75 GLU C C 178.713 0.3 1 372 75 75 GLU CA C 59.356 0.3 1 373 75 75 GLU CB C 29.750 0.3 1 374 75 75 GLU N N 116.829 0.3 1 375 76 76 ARG H H 7.743 0.020 1 376 76 76 ARG C C 179.429 0.3 1 377 76 76 ARG CA C 59.293 0.3 1 378 76 76 ARG CB C 29.872 0.3 1 379 76 76 ARG N N 119.223 0.3 1 380 77 77 ALA H H 8.553 0.020 1 381 77 77 ALA C C 180.021 0.3 1 382 77 77 ALA CA C 56.038 0.3 1 383 77 77 ALA CB C 19.015 0.3 1 384 77 77 ALA N N 124.849 0.3 1 385 78 78 ILE H H 7.868 0.020 1 386 78 78 ILE C C 177.997 0.3 1 387 78 78 ILE CA C 66.336 0.3 1 388 78 78 ILE CB C 38.105 0.3 1 389 78 78 ILE N N 119.223 0.3 1 390 79 79 ASN H H 7.719 0.020 1 391 79 79 ASN C C 176.921 0.3 1 392 79 79 ASN CA C 55.889 0.3 1 393 79 79 ASN CB C 38.692 0.3 1 394 79 79 ASN N N 114.679 0.3 1 395 80 80 THR H H 8.166 0.020 1 396 80 80 THR C C 175.101 0.3 1 397 80 80 THR CA C 64.954 0.3 1 398 80 80 THR CB C 70.439 0.3 1 399 80 80 THR N N 112.090 0.3 1 400 81 81 LEU H H 8.663 0.020 1 401 81 81 LEU C C 177.090 0.3 1 402 81 81 LEU CA C 55.166 0.3 1 403 81 81 LEU CB C 42.386 0.3 1 404 81 81 LEU N N 119.244 0.3 1 405 82 82 ASN H H 7.453 0.020 1 406 82 82 ASN HD21 H 7.864 0.020 1 407 82 82 ASN HD22 H 7.070 0.020 1 408 82 82 ASN C C 176.940 0.3 1 409 82 82 ASN CA C 56.525 0.3 1 410 82 82 ASN CB C 39.241 0.3 1 411 82 82 ASN N N 114.924 0.3 1 412 82 82 ASN ND2 N 114.779 0.3 1 413 83 83 GLY H H 8.526 0.020 1 414 83 83 GLY C C 173.342 0.3 1 415 83 83 GLY CA C 45.629 0.3 1 416 83 83 GLY N N 116.438 0.3 1 417 84 84 LEU H H 7.484 0.020 1 418 84 84 LEU C C 175.512 0.3 1 419 84 84 LEU CA C 55.988 0.3 1 420 84 84 LEU CB C 43.130 0.3 1 421 84 84 LEU N N 123.473 0.3 1 422 85 85 ARG H H 8.230 0.020 1 423 85 85 ARG C C 175.717 0.3 1 424 85 85 ARG CA C 54.952 0.3 1 425 85 85 ARG CB C 29.861 0.3 1 426 85 85 ARG N N 125.828 0.3 1 427 86 86 LEU H H 8.663 0.020 1 428 86 86 LEU C C 175.209 0.3 1 429 86 86 LEU CA C 53.561 0.3 1 430 86 86 LEU CB C 44.694 0.3 1 431 86 86 LEU N N 128.549 0.3 1 432 87 87 GLN H H 9.098 0.020 1 433 87 87 GLN C C 175.886 0.3 1 434 87 87 GLN CA C 57.713 0.3 1 435 87 87 GLN CB C 26.498 0.3 1 436 87 87 GLN N N 120.982 0.3 1 437 88 88 SER H H 8.293 0.020 1 438 88 88 SER C C 173.630 0.3 1 439 88 88 SER CA C 59.559 0.3 1 440 88 88 SER CB C 63.271 0.3 1 441 88 88 SER N N 112.667 0.3 1 442 89 89 LYS H H 8.173 0.020 1 443 89 89 LYS C C 175.558 0.3 1 444 89 89 LYS CA C 54.233 0.3 1 445 89 89 LYS CB C 34.283 0.3 1 446 89 89 LYS N N 122.301 0.3 1 447 90 90 THR H H 8.095 0.020 1 448 90 90 THR C C 175.135 0.3 1 449 90 90 THR CA C 61.253 0.3 1 450 90 90 THR CB C 69.487 0.3 1 451 90 90 THR N N 117.366 0.3 1 452 91 91 ILE H H 8.573 0.020 1 453 91 91 ILE C C 175.531 0.3 1 454 91 91 ILE CA C 61.849 0.3 1 455 91 91 ILE CB C 38.975 0.3 1 456 91 91 ILE N N 121.226 0.3 1 457 92 92 LYS H H 8.354 0.020 1 458 92 92 LYS C C 174.966 0.3 1 459 92 92 LYS CA C 54.029 0.3 1 460 92 92 LYS CB C 36.686 0.3 1 461 92 92 LYS N N 123.425 0.3 1 462 93 93 VAL H H 8.821 0.020 1 463 93 93 VAL C C 173.797 0.3 1 464 93 93 VAL CA C 61.324 0.3 1 465 93 93 VAL CB C 34.673 0.3 1 466 93 93 VAL N N 126.810 0.3 1 467 94 94 SER H H 8.620 0.020 1 468 94 94 SER C C 172.989 0.3 1 469 94 94 SER CA C 56.540 0.3 1 470 94 94 SER CB C 65.792 0.3 1 471 94 94 SER N N 119.028 0.3 1 472 95 95 TYR H H 8.450 0.020 1 473 95 95 TYR C C 177.085 0.3 1 474 95 95 TYR CA C 60.894 0.3 1 475 95 95 TYR CB C 38.576 0.3 1 476 95 95 TYR N N 119.768 0.3 1 477 96 96 ALA H H 8.784 0.020 1 478 96 96 ALA C C 177.439 0.3 1 479 96 96 ALA CA C 52.751 0.3 1 480 96 96 ALA CB C 19.315 0.3 1 481 96 96 ALA N N 125.270 0.3 1 482 97 97 ARG H H 8.792 0.020 1 483 97 97 ARG C C 173.973 0.3 1 484 97 97 ARG CA C 53.663 0.3 1 485 97 97 ARG CB C 30.202 0.3 1 486 97 97 ARG N N 120.933 0.3 1 487 98 98 PRO C C 177.000 0.3 1 488 98 98 PRO CA C 63.046 0.3 1 489 98 98 PRO CB C 32.217 0.3 1 490 99 99 SER H H 8.463 0.020 1 491 99 99 SER C C 174.920 0.3 1 492 99 99 SER CA C 58.765 0.3 1 493 99 99 SER CB C 63.719 0.3 1 494 99 99 SER N N 116.389 0.3 1 495 100 100 SER H H 8.330 0.020 1 496 100 100 SER C C 174.498 0.3 1 497 100 100 SER CA C 58.652 0.3 1 498 100 100 SER CB C 63.632 0.3 1 499 100 100 SER N N 117.203 0.3 1 500 101 101 GLU H H 8.262 0.020 1 501 101 101 GLU C C 176.422 0.3 1 502 101 101 GLU CA C 56.711 0.3 1 503 101 101 GLU CB C 30.319 0.3 1 504 101 101 GLU N N 122.325 0.3 1 505 102 102 VAL H H 8.017 0.020 1 506 102 102 VAL C C 176.139 0.3 1 507 102 102 VAL CA C 62.784 0.3 1 508 102 102 VAL CB C 32.308 0.3 1 509 102 102 VAL N N 121.177 0.3 1 510 103 103 ILE H H 8.079 0.020 1 511 103 103 ILE C C 176.081 0.3 1 512 103 103 ILE CA C 61.173 0.3 1 513 103 103 ILE CB C 38.077 0.3 1 514 103 103 ILE N N 124.109 0.3 1 515 104 104 LYS H H 8.282 0.020 1 516 104 104 LYS C C 176.002 0.3 1 517 104 104 LYS CA C 55.923 0.3 1 518 104 104 LYS CB C 32.956 0.3 1 519 104 104 LYS N N 124.734 0.3 1 520 105 105 ASP H H 7.954 0.020 1 521 105 105 ASP C C 175.246 0.3 1 522 105 105 ASP CA C 54.603 0.3 1 523 105 105 ASP CB C 41.745 0.3 1 524 105 105 ASP N N 121.666 0.3 1 525 106 106 ALA H H 8.495 0.020 1 526 106 106 ALA C C 175.193 0.3 1 527 106 106 ALA CA C 50.861 0.3 1 528 106 106 ALA CB C 18.832 0.3 1 529 106 106 ALA N N 125.010 0.3 1 530 107 107 ASN H H 8.095 0.020 1 531 107 107 ASN C C 174.918 0.3 1 532 107 107 ASN CA C 52.901 0.3 1 533 107 107 ASN CB C 40.722 0.3 1 534 107 107 ASN N N 117.904 0.3 1 535 108 108 LEU H H 9.623 0.020 1 536 108 108 LEU C C 174.970 0.3 1 537 108 108 LEU CA C 53.572 0.3 1 538 108 108 LEU CB C 45.582 0.3 1 539 108 108 LEU N N 124.744 0.3 1 540 109 109 TYR H H 9.239 0.020 1 541 109 109 TYR C C 173.563 0.3 1 542 109 109 TYR CA C 56.613 0.3 1 543 109 109 TYR CB C 41.029 0.3 1 544 109 109 TYR N N 122.545 0.3 1 545 110 110 ILE H H 8.643 0.020 1 546 110 110 ILE C C 173.898 0.3 1 547 110 110 ILE CA C 58.591 0.3 1 548 110 110 ILE CB C 40.716 0.3 1 549 110 110 ILE N N 129.141 0.3 1 550 111 111 SER H H 9.004 0.020 1 551 111 111 SER C C 173.697 0.3 1 552 111 111 SER CA C 56.587 0.3 1 553 111 111 SER CB C 66.412 0.3 1 554 111 111 SER N N 117.925 0.3 1 555 112 112 GLY H H 8.207 0.020 1 556 112 112 GLY C C 173.869 0.3 1 557 112 112 GLY CA C 45.342 0.3 1 558 112 112 GLY N N 108.411 0.3 1 559 113 113 LEU H H 8.260 0.020 1 560 113 113 LEU C C 176.484 0.3 1 561 113 113 LEU CA C 54.299 0.3 1 562 113 113 LEU CB C 41.090 0.3 1 563 113 113 LEU N N 120.347 0.3 1 564 114 114 PRO C C 179.526 0.3 1 565 114 114 PRO CA C 62.965 0.3 1 566 114 114 PRO CB C 32.313 0.3 1 567 115 115 ARG H H 9.129 0.020 1 568 115 115 ARG C C 175.268 0.3 1 569 115 115 ARG CA C 57.852 0.3 1 570 115 115 ARG CB C 28.989 0.3 1 571 115 115 ARG N N 124.060 0.3 1 572 116 116 THR H H 7.202 0.020 1 573 116 116 THR C C 175.686 0.3 1 574 116 116 THR CA C 61.202 0.3 1 575 116 116 THR CB C 68.886 0.3 1 576 116 116 THR N N 103.833 0.3 1 577 117 117 MET H H 7.163 0.020 1 578 117 117 MET C C 176.898 0.3 1 579 117 117 MET CA C 57.221 0.3 1 580 117 117 MET CB C 33.712 0.3 1 581 117 117 MET N N 119.907 0.3 1 582 118 118 THR H H 9.317 0.020 1 583 118 118 THR C C 175.029 0.3 1 584 118 118 THR CA C 60.167 0.3 1 585 118 118 THR CB C 71.922 0.3 1 586 118 118 THR N N 116.634 0.3 1 587 119 119 GLN H H 9.012 0.020 1 588 119 119 GLN C C 177.193 0.3 1 589 119 119 GLN CA C 60.245 0.3 1 590 119 119 GLN CB C 27.917 0.3 1 591 119 119 GLN CG C 32.745 0.3 1 592 119 119 GLN CD C 179.751 0.3 1 593 119 119 GLN N N 120.102 0.3 1 594 120 120 LYS H H 8.111 0.020 1 595 120 120 LYS C C 177.913 0.3 1 596 120 120 LYS CA C 58.817 0.3 1 597 120 120 LYS CB C 31.913 0.3 1 598 120 120 LYS N N 118.930 0.3 1 599 121 121 ASP H H 7.476 0.020 1 600 121 121 ASP C C 179.504 0.3 1 601 121 121 ASP CA C 57.501 0.3 1 602 121 121 ASP CB C 40.820 0.3 1 603 121 121 ASP N N 118.490 0.3 1 604 122 122 VAL H H 8.232 0.020 1 605 122 122 VAL C C 177.833 0.3 1 606 122 122 VAL CA C 67.185 0.3 1 607 122 122 VAL N N 121.275 0.3 1 608 123 123 GLU H H 8.401 0.020 1 609 123 123 GLU C C 179.146 0.3 1 610 123 123 GLU CA C 60.646 0.3 1 611 123 123 GLU CB C 28.564 0.3 1 612 123 123 GLU N N 120.347 0.3 1 613 124 124 ASP H H 8.816 0.020 1 614 124 124 ASP C C 179.030 0.3 1 615 124 124 ASP CA C 57.494 0.3 1 616 124 124 ASP CB C 40.137 0.3 1 617 124 124 ASP N N 119.321 0.3 1 618 125 125 MET H H 7.844 0.020 1 619 125 125 MET C C 177.163 0.3 1 620 125 125 MET CA C 58.876 0.3 1 621 125 125 MET CB C 33.266 0.3 1 622 125 125 MET N N 119.565 0.3 1 623 126 126 PHE H H 8.001 0.020 1 624 126 126 PHE C C 176.909 0.3 1 625 126 126 PHE CA C 60.711 0.3 1 626 126 126 PHE CB C 40.185 0.3 1 627 126 126 PHE N N 113.751 0.3 1 628 127 127 SER H H 8.534 0.020 1 629 127 127 SER C C 175.905 0.3 1 630 127 127 SER CA C 61.694 0.3 1 631 127 127 SER CB C 62.977 0.3 1 632 127 127 SER N N 117.664 0.3 1 633 128 128 ARG H H 7.132 0.020 1 634 128 128 ARG C C 176.758 0.3 1 635 128 128 ARG CA C 57.197 0.3 1 636 128 128 ARG CB C 28.891 0.3 1 637 128 128 ARG N N 117.757 0.3 1 638 129 129 PHE H H 7.453 0.020 1 639 129 129 PHE C C 174.594 0.3 1 640 129 129 PHE CA C 58.994 0.3 1 641 129 129 PHE CB C 39.034 0.3 1 642 129 129 PHE N N 116.585 0.3 1 643 130 130 GLY H H 7.445 0.020 1 644 130 130 GLY C C 171.010 0.3 1 645 130 130 GLY CA C 44.901 0.3 1 646 130 130 GLY N N 104.126 0.3 1 647 131 131 ARG H H 8.252 0.020 1 648 131 131 ARG C C 174.948 0.3 1 649 131 131 ARG CA C 56.283 0.3 1 650 131 131 ARG CB C 30.982 0.3 1 651 131 131 ARG N N 119.663 0.3 1 652 132 132 ILE H H 8.570 0.020 1 653 132 132 ILE C C 176.715 0.3 1 654 132 132 ILE CA C 61.565 0.3 1 655 132 132 ILE CB C 38.121 0.3 1 656 132 132 ILE N N 127.734 0.3 1 657 133 133 ILE H H 8.980 0.020 1 658 133 133 ILE C C 176.317 0.3 1 659 133 133 ILE CA C 61.032 0.3 1 660 133 133 ILE CB C 37.479 0.3 1 661 133 133 ILE N N 127.675 0.3 1 662 134 134 ASN H H 7.429 0.020 1 663 134 134 ASN C C 172.182 0.3 1 664 134 134 ASN CA C 53.306 0.3 1 665 134 134 ASN CB C 42.155 0.3 1 666 134 134 ASN N N 114.435 0.3 1 667 135 135 SER H H 8.252 0.020 1 668 135 135 SER C C 172.945 0.3 1 669 135 135 SER CA C 57.560 0.3 1 670 135 135 SER CB C 66.760 0.3 1 671 135 135 SER N N 115.363 0.3 1 672 136 136 ARG H H 8.636 0.020 1 673 136 136 ARG C C 174.332 0.3 1 674 136 136 ARG CA C 55.985 0.3 1 675 136 136 ARG CB C 33.886 0.3 1 676 136 136 ARG N N 118.148 0.3 1 677 137 137 VAL H H 8.706 0.020 1 678 137 137 VAL C C 175.837 0.3 1 679 137 137 VAL CA C 61.518 0.3 1 680 137 137 VAL CB C 33.699 0.3 1 681 137 137 VAL N N 124.206 0.3 1 682 138 138 LEU H H 8.589 0.020 1 683 138 138 LEU C C 175.802 0.3 1 684 138 138 LEU CA C 55.337 0.3 1 685 138 138 LEU CB C 41.589 0.3 1 686 138 138 LEU N N 128.310 0.3 1 687 139 139 VAL H H 8.299 0.020 1 688 139 139 VAL C C 176.095 0.3 1 689 139 139 VAL CA C 59.857 0.3 1 690 139 139 VAL CB C 34.829 0.3 1 691 139 139 VAL N N 118.832 0.3 1 692 140 140 ASP H H 8.690 0.020 1 693 140 140 ASP C C 177.189 0.3 1 694 140 140 ASP CA C 53.812 0.3 1 695 140 140 ASP CB C 42.255 0.3 1 696 140 140 ASP N N 125.281 0.3 1 697 141 141 GLN H H 9.153 0.020 1 698 141 141 GLN C C 177.046 0.3 1 699 141 141 GLN CA C 58.268 0.3 1 700 141 141 GLN CB C 28.399 0.3 1 701 141 141 GLN N N 126.796 0.3 1 702 142 142 THR H H 8.690 0.020 1 703 142 142 THR C C 176.154 0.3 1 704 142 142 THR CA C 65.035 0.3 1 705 142 142 THR CB C 68.754 0.3 1 706 142 142 THR N N 113.458 0.3 1 707 143 143 THR H H 7.844 0.020 1 708 143 143 THR C C 176.379 0.3 1 709 143 143 THR CA C 61.932 0.3 1 710 143 143 THR CB C 70.929 0.3 1 711 143 143 THR N N 109.598 0.3 1 712 144 144 GLY H H 8.518 0.020 1 713 144 144 GLY C C 173.647 0.3 1 714 144 144 GLY CA C 45.569 0.3 1 715 144 144 GLY N N 110.868 0.3 1 716 145 145 LEU H H 7.790 0.020 1 717 145 145 LEU C C 177.004 0.3 1 718 145 145 LEU CA C 53.828 0.3 1 719 145 145 LEU CB C 42.947 0.3 1 720 145 145 LEU N N 119.858 0.3 1 721 146 146 SER H H 8.620 0.020 1 722 146 146 SER C C 176.275 0.3 1 723 146 146 SER CA C 58.059 0.3 1 724 146 146 SER CB C 64.197 0.3 1 725 146 146 SER N N 115.070 0.3 1 726 147 147 ARG H H 8.902 0.020 1 727 147 147 ARG C C 177.307 0.3 1 728 147 147 ARG CA C 56.073 0.3 1 729 147 147 ARG CB C 31.029 0.3 1 730 147 147 ARG N N 123.327 0.3 1 731 148 148 GLY H H 9.583 0.020 1 732 148 148 GLY C C 171.616 0.3 1 733 148 148 GLY CA C 45.967 0.3 1 734 148 148 GLY N N 109.598 0.3 1 735 149 149 VAL H H 6.544 0.020 1 736 149 149 VAL C C 173.935 0.3 1 737 149 149 VAL CA C 58.710 0.3 1 738 149 149 VAL CB C 35.349 0.3 1 739 149 149 VAL N N 115.266 0.3 1 740 150 150 ALA H H 9.054 0.020 1 741 150 150 ALA C C 173.916 0.3 1 742 150 150 ALA CA C 49.669 0.3 1 743 150 150 ALA CB C 23.910 0.3 1 744 150 150 ALA N N 125.987 0.3 1 745 151 151 PHE H H 8.651 0.020 1 746 151 151 PHE C C 176.114 0.3 1 747 151 151 PHE CA C 55.689 0.3 1 748 151 151 PHE CB C 42.190 0.3 1 749 151 151 PHE N N 116.927 0.3 1 750 152 152 ILE H H 8.238 0.020 1 751 152 152 ILE C C 176.355 0.3 1 752 152 152 ILE CA C 59.756 0.3 1 753 152 152 ILE CB C 42.319 0.3 1 754 152 152 ILE N N 120.229 0.3 1 755 153 153 ARG H H 8.479 0.020 1 756 153 153 ARG C C 175.853 0.3 1 757 153 153 ARG CA C 54.653 0.3 1 758 153 153 ARG CB C 32.932 0.3 1 759 153 153 ARG N N 127.235 0.3 1 760 154 154 PHE H H 8.408 0.020 1 761 154 154 PHE C C 174.728 0.3 1 762 154 154 PHE CA C 58.582 0.3 1 763 154 154 PHE CB C 41.823 0.3 1 764 154 154 PHE N N 126.698 0.3 1 765 155 155 ASP H H 8.769 0.020 1 766 155 155 ASP C C 176.194 0.3 1 767 155 155 ASP CA C 56.805 0.3 1 768 155 155 ASP CB C 43.426 0.3 1 769 155 155 ASP N N 120.200 0.3 1 770 156 156 LYS H H 8.385 0.020 1 771 156 156 LYS C C 177.281 0.3 1 772 156 156 LYS CA C 53.954 0.3 1 773 156 156 LYS CB C 35.991 0.3 1 774 156 156 LYS N N 113.214 0.3 1 775 157 157 ARG H H 9.086 0.020 1 776 157 157 ARG C C 177.731 0.3 1 777 157 157 ARG CA C 59.973 0.3 1 778 157 157 ARG CB C 29.523 0.3 1 779 157 157 ARG N N 125.523 0.3 1 780 158 158 SER H H 8.651 0.020 1 781 158 158 SER C C 176.997 0.3 1 782 158 158 SER CA C 61.364 0.3 1 783 158 158 SER CB C 61.660 0.3 1 784 158 158 SER N N 112.725 0.3 1 785 159 159 GLU H H 6.881 0.020 1 786 159 159 GLU C C 177.083 0.3 1 787 159 159 GLU CA C 58.296 0.3 1 788 159 159 GLU CB C 29.044 0.3 1 789 159 159 GLU N N 123.913 0.3 1 790 160 160 ALA H H 6.795 0.020 1 791 160 160 ALA C C 178.966 0.3 1 792 160 160 ALA CA C 54.526 0.3 1 793 160 160 ALA CB C 18.360 0.3 1 794 160 160 ALA N N 119.565 0.3 1 795 161 161 GLU H H 8.604 0.020 1 796 161 161 GLU C C 179.121 0.3 1 797 161 161 GLU CA C 59.710 0.3 1 798 161 161 GLU CB C 29.344 0.3 1 799 161 161 GLU CD C 180.308 0.3 1 800 161 161 GLU N N 115.314 0.3 1 801 162 162 GLU H H 7.508 0.020 1 802 162 162 GLU C C 178.223 0.3 1 803 162 162 GLU CA C 59.033 0.3 1 804 162 162 GLU CB C 28.927 0.3 1 805 162 162 GLU N N 120.298 0.3 1 806 163 163 ALA H H 7.335 0.020 1 807 163 163 ALA C C 179.405 0.3 1 808 163 163 ALA CA C 54.490 0.3 1 809 163 163 ALA CB C 18.524 0.3 1 810 163 163 ALA N N 122.985 0.3 1 811 164 164 ILE H H 7.672 0.020 1 812 164 164 ILE C C 178.330 0.3 1 813 164 164 ILE CA C 66.081 0.3 1 814 164 164 ILE CB C 38.495 0.3 1 815 164 164 ILE N N 117.527 0.3 1 816 165 165 THR H H 8.087 0.020 1 817 165 165 THR C C 176.912 0.3 1 818 165 165 THR CA C 66.231 0.3 1 819 165 165 THR CB C 68.646 0.3 1 820 165 165 THR N N 114.728 0.3 1 821 166 166 SER H H 7.978 0.020 1 822 166 166 SER C C 175.242 0.3 1 823 166 166 SER CA C 61.590 0.3 1 824 166 166 SER CB C 64.172 0.3 1 825 166 166 SER N N 113.556 0.3 1 826 167 167 PHE H H 8.072 0.020 1 827 167 167 PHE C C 176.946 0.3 1 828 167 167 PHE CA C 57.187 0.3 1 829 167 167 PHE CB C 41.608 0.3 1 830 167 167 PHE N N 116.829 0.3 1 831 168 168 ASN H H 8.683 0.020 1 832 168 168 ASN C C 176.763 0.3 1 833 168 168 ASN CA C 57.010 0.3 1 834 168 168 ASN CB C 38.826 0.3 1 835 168 168 ASN N N 118.783 0.3 1 836 169 169 GLY H H 9.317 0.020 1 837 169 169 GLY C C 173.618 0.3 1 838 169 169 GLY CA C 45.689 0.3 1 839 169 169 GLY N N 117.562 0.3 1 840 170 170 HIS H H 8.079 0.020 1 841 170 170 HIS C C 173.721 0.3 1 842 170 170 HIS CA C 55.922 0.3 1 843 170 170 HIS CB C 30.921 0.3 1 844 170 170 HIS N N 120.786 0.3 1 845 171 171 LYS H H 8.198 0.020 1 846 171 171 LYS C C 173.337 0.3 1 847 171 171 LYS CA C 53.161 0.3 1 848 171 171 LYS CB C 30.541 0.3 1 849 171 171 LYS N N 125.936 0.3 1 850 173 173 PRO C C 178.054 0.3 1 851 173 173 PRO CA C 64.095 0.3 1 852 173 173 PRO CB C 31.383 0.3 1 853 174 174 GLY H H 8.714 0.020 1 854 174 174 GLY C C 174.128 0.3 1 855 174 174 GLY CA C 45.355 0.3 1 856 174 174 GLY N N 112.188 0.3 1 857 175 175 SER H H 7.962 0.020 1 858 175 175 SER C C 174.371 0.3 1 859 175 175 SER CA C 57.024 0.3 1 860 175 175 SER CB C 64.835 0.3 1 861 175 175 SER N N 114.875 0.3 1 862 176 176 SER H H 8.730 0.020 1 863 176 176 SER C C 173.750 0.3 1 864 176 176 SER CA C 58.519 0.3 1 865 176 176 SER CB C 64.096 0.3 1 866 176 176 SER N N 117.660 0.3 1 867 177 177 GLU H H 7.899 0.020 1 868 177 177 GLU C C 174.240 0.3 1 869 177 177 GLU CA C 53.101 0.3 1 870 177 177 GLU CB C 30.989 0.3 1 871 177 177 GLU CG C 35.251 0.3 1 872 177 177 GLU CD C 184.071 0.3 1 873 177 177 GLU N N 121.812 0.3 1 874 178 178 PRO C C 176.203 0.3 1 875 178 178 PRO CA C 61.662 0.3 1 876 178 178 PRO CB C 32.178 0.3 1 877 178 178 PRO N N 133.166 0.3 1 878 179 179 ILE H H 8.425 0.020 1 879 179 179 ILE C C 175.334 0.3 1 880 179 179 ILE CA C 60.575 0.3 1 881 179 179 ILE CB C 39.322 0.3 1 882 179 179 ILE N N 117.986 0.3 1 883 180 180 ALA H H 8.768 0.020 1 884 180 180 ALA C C 176.148 0.3 1 885 180 180 ALA CA C 50.406 0.3 1 886 180 180 ALA CB C 20.955 0.3 1 887 180 180 ALA N N 128.440 0.3 1 888 181 181 VAL H H 8.641 0.020 1 889 181 181 VAL C C 173.510 0.3 1 890 181 181 VAL CA C 61.144 0.3 1 891 181 181 VAL CB C 34.799 0.3 1 892 181 181 VAL N N 121.259 0.3 1 893 182 182 LYS H H 8.631 0.020 1 894 182 182 LYS C C 174.993 0.3 1 895 182 182 LYS CA C 54.044 0.3 1 896 182 182 LYS CB C 36.051 0.3 1 897 182 182 LYS N N 122.756 0.3 1 898 183 183 PHE H H 8.604 0.020 1 899 183 183 PHE C C 177.003 0.3 1 900 183 183 PHE CA C 60.736 0.3 1 901 183 183 PHE CB C 38.809 0.3 1 902 183 183 PHE N N 119.760 0.3 1 903 184 184 ALA H H 8.780 0.020 1 904 184 184 ALA C C 176.923 0.3 1 905 184 184 ALA CA C 52.572 0.3 1 906 184 184 ALA CB C 19.616 0.3 1 907 184 184 ALA N N 125.250 0.3 1 908 185 185 ALA H H 8.518 0.020 1 909 185 185 ALA C C 176.923 0.3 1 910 185 185 ALA CA C 51.999 0.3 1 911 185 185 ALA CB C 19.367 0.3 1 912 185 185 ALA N N 122.985 0.3 1 913 186 186 ASN H H 8.440 0.020 1 914 186 186 ASN C C 174.242 0.3 1 915 186 186 ASN CA C 51.136 0.3 1 916 186 186 ASN CB C 38.703 0.3 1 917 186 186 ASN N N 119.370 0.3 1 918 187 187 PRO C C 176.791 0.3 1 919 187 187 PRO CA C 63.423 0.3 1 920 187 187 PRO CB C 32.114 0.3 1 921 188 188 ASN H H 8.349 0.020 1 922 188 188 ASN C C 175.182 0.3 1 923 188 188 ASN CA C 53.383 0.3 1 924 188 188 ASN CB C 38.573 0.3 1 925 188 188 ASN N N 117.503 0.3 1 926 189 189 GLN H H 8.235 0.020 1 927 189 189 GLN C C 176.222 0.3 1 928 189 189 GLN CA C 56.553 0.3 1 929 189 189 GLN CB C 32.747 0.3 1 930 189 189 GLN N N 121.407 0.3 1 931 190 190 ASN H H 8.410 0.020 1 932 190 190 ASN C C 175.318 0.3 1 933 190 190 ASN CA C 53.393 0.3 1 934 190 190 ASN CB C 38.635 0.3 1 935 190 190 ASN N N 119.461 0.3 1 936 191 191 LYS H H 8.079 0.020 1 937 191 191 LYS C C 175.588 0.3 1 938 191 191 LYS CA C 56.124 0.3 1 939 191 191 LYS CB C 29.344 0.3 1 940 191 191 LYS N N 120.054 0.3 1 941 192 192 ASN H H 8.369 0.020 1 942 192 192 ASN C C 175.271 0.3 1 943 192 192 ASN CA C 53.353 0.3 1 944 192 192 ASN CB C 38.695 0.3 1 945 192 192 ASN N N 119.467 0.3 1 946 193 193 VAL H H 7.970 0.020 1 947 193 193 VAL C C 175.876 0.3 1 948 193 193 VAL CA C 62.539 0.3 1 949 193 193 VAL CB C 32.542 0.3 1 950 193 193 VAL N N 120.102 0.3 1 951 194 194 ALA H H 8.236 0.020 1 952 194 194 ALA C C 177.579 0.3 1 953 194 194 ALA CA C 52.546 0.3 1 954 194 194 ALA CB C 19.078 0.3 1 955 194 194 ALA N N 126.593 0.3 1 956 195 195 LEU H H 8.009 0.020 1 957 195 195 LEU C C 177.191 0.3 1 958 195 195 LEU CA C 55.079 0.3 1 959 195 195 LEU CB C 42.298 0.3 1 960 195 195 LEU N N 120.689 0.3 1 961 196 196 LEU H H 8.064 0.020 1 962 196 196 LEU C C 176.986 0.3 1 963 196 196 LEU CA C 54.894 0.3 1 964 196 196 LEU CB C 39.074 0.3 1 965 196 196 LEU N N 122.350 0.3 1 966 197 197 SER H H 8.158 0.020 1 967 197 197 SER C C 172.609 0.3 1 968 197 197 SER CA C 56.266 0.3 1 969 197 197 SER CB C 63.365 0.3 1 970 197 197 SER N N 117.562 0.3 1 stop_ save_