data_25463 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Chemical Shift Assignments for the Wild-Type Dimeric Non-Structural Protein 1 Effector Domain from Influenza B Virus ; _BMRB_accession_number 25463 _BMRB_flat_file_name bmr25463.str _Entry_type original _Submission_date 2015-02-02 _Accession_date 2015-02-02 _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 Hamilton Keith . . 2 Aramini James M. . 3 Ma Li-Chung . . 4 Krug Robert M. . 5 Montelione Gaetano T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 136 "13C chemical shifts" 376 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-29 update BMRB 'update entry citation' 2015-03-02 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25462 'NS1B ED mutant monomer' stop_ _Original_release_date 2015-02-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Second RNA-Binding Site in the NS1 Protein of Influenza B Virus. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27545620 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ma Li-Chung C. . 2 Guan Rongjin . . 3 Hamilton Keith . . 4 Aramini James M. . 5 Mao Lei . . 6 Wang Shanshan . . 7 Krug Robert M. . 8 Montelione Gaetano T. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 24 _Journal_issue 9 _Journal_ISSN 1878-4186 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1562 _Page_last 1572 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NS1B ED dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NS1B ED dimer, 1' $NS1B_ED 'NS1B ED dimer, 2' $NS1B_ED 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_NS1B_ED _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NS1B_ED _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Evading host response to virus' 'RNA binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; HPIEVVLRDMNNKDARQKIK DEVNTQKEGKFRLTIKRDIR NVLSLRVLVNGTFLKHPNGD KSLSTLHRLNAYDQNGGLVA KLVATDDLTVEDEKDGHRIL NSLFERFDEGHSKPIRAAET AVGVLSQFGQEHRLSPEEGD N ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 141 HIS 2 142 PRO 3 143 ILE 4 144 GLU 5 145 VAL 6 146 VAL 7 147 LEU 8 148 ARG 9 149 ASP 10 150 MET 11 151 ASN 12 152 ASN 13 153 LYS 14 154 ASP 15 155 ALA 16 156 ARG 17 157 GLN 18 158 LYS 19 159 ILE 20 160 LYS 21 161 ASP 22 162 GLU 23 163 VAL 24 164 ASN 25 165 THR 26 166 GLN 27 167 LYS 28 168 GLU 29 169 GLY 30 170 LYS 31 171 PHE 32 172 ARG 33 173 LEU 34 174 THR 35 175 ILE 36 176 LYS 37 177 ARG 38 178 ASP 39 179 ILE 40 180 ARG 41 181 ASN 42 182 VAL 43 183 LEU 44 184 SER 45 185 LEU 46 186 ARG 47 187 VAL 48 188 LEU 49 189 VAL 50 190 ASN 51 191 GLY 52 192 THR 53 193 PHE 54 194 LEU 55 195 LYS 56 196 HIS 57 197 PRO 58 198 ASN 59 199 GLY 60 200 ASP 61 201 LYS 62 202 SER 63 203 LEU 64 204 SER 65 205 THR 66 206 LEU 67 207 HIS 68 208 ARG 69 209 LEU 70 210 ASN 71 211 ALA 72 212 TYR 73 213 ASP 74 214 GLN 75 215 ASN 76 216 GLY 77 217 GLY 78 218 LEU 79 219 VAL 80 220 ALA 81 221 LYS 82 222 LEU 83 223 VAL 84 224 ALA 85 225 THR 86 226 ASP 87 227 ASP 88 228 LEU 89 229 THR 90 230 VAL 91 231 GLU 92 232 ASP 93 233 GLU 94 234 LYS 95 235 ASP 96 236 GLY 97 237 HIS 98 238 ARG 99 239 ILE 100 240 LEU 101 241 ASN 102 242 SER 103 243 LEU 104 244 PHE 105 245 GLU 106 246 ARG 107 247 PHE 108 248 ASP 109 249 GLU 110 250 GLY 111 251 HIS 112 252 SER 113 253 LYS 114 254 PRO 115 255 ILE 116 256 ARG 117 257 ALA 118 258 ALA 119 259 GLU 120 260 THR 121 261 ALA 122 262 VAL 123 263 GLY 124 264 VAL 125 265 LEU 126 266 SER 127 267 GLN 128 268 PHE 129 269 GLY 130 270 GLN 131 271 GLU 132 272 HIS 133 273 ARG 134 274 LEU 135 275 SER 136 276 PRO 137 277 GLU 138 278 GLU 139 279 GLY 140 280 ASP 141 281 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP P03502 NS1_INBLE . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $NS1B_ED 'Influenza B virus' 11520 Viruses . 'Influenzavirus B' 'Influenza B virus' B/Lee/1940 NS 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 $NS1B_ED 'recombinant technology' . Escherichia coli BL21(DE3) pSUMO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'ILV-labeled NS1B ED' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NS1B_ED 25 mM '[U-13C; U-15N; U-2H; 1H-Ile-delta1,Leu-delta,Val-gamma]' 'sodium chloride' 450 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' arginine 50 mM 'natural abundance' 'sodium azide' 0.02 % '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 'data collection' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data processing' stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.4.0 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AVS _Saveframe_category software _Name AVS _Version 2.4.0 loop_ _Vendor _Address _Electronic_address 'Moseley and Montelione' . . stop_ loop_ _Task 'chemical shift validation' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task '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 ; 5-mm TXI CRP 3-mm Shigemi tube ; save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_1 save_ save_3D_TROSY-HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CA' _Sample_label $sample_1 save_ save_3D_TROSY-HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_TROSY-HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY-TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-TROSY' _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' 0.45 . M pH 5.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N TROSY-HSQC' '3D TROSY-HNCO' '3D TROSY-HN(CA)CO' '3D TROSY-HN(CO)CA' '3D TROSY-HNCA' '3D TROSY-HN(CO)CACB' '3D TROSY-HNCACB' 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 'NS1B ED dimer, 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 2 2 PRO C C 175.935 0.20 1 2 2 2 PRO CA C 62.478 0.20 1 3 2 2 PRO CB C 31.460 0.20 1 4 3 3 ILE H H 8.280 0.02 1 5 3 3 ILE C C 174.690 0.20 1 6 3 3 ILE CA C 60.068 0.20 1 7 3 3 ILE CB C 38.950 0.20 1 8 3 3 ILE N N 120.612 0.20 1 9 4 4 GLU H H 8.358 0.02 1 10 4 4 GLU C C 176.711 0.20 1 11 4 4 GLU CA C 54.957 0.20 1 12 4 4 GLU CB C 30.492 0.20 1 13 4 4 GLU N N 124.783 0.20 1 14 5 5 VAL H H 9.369 0.02 1 15 5 5 VAL C C 173.807 0.20 1 16 5 5 VAL CA C 59.433 0.20 1 17 5 5 VAL CB C 34.748 0.20 1 18 5 5 VAL N N 120.991 0.20 1 19 6 6 VAL H H 8.717 0.02 1 20 6 6 VAL C C 175.457 0.20 1 21 6 6 VAL CA C 62.110 0.20 1 22 6 6 VAL CB C 31.470 0.20 1 23 6 6 VAL N N 127.537 0.20 1 24 7 7 LEU H H 8.950 0.02 1 25 7 7 LEU C C 174.982 0.20 1 26 7 7 LEU CA C 53.722 0.20 1 27 7 7 LEU CB C 43.075 0.20 1 28 7 7 LEU N N 130.134 0.20 1 29 8 8 ARG H H 8.391 0.02 1 30 8 8 ARG C C 176.051 0.20 1 31 8 8 ARG CA C 54.732 0.20 1 32 8 8 ARG CB C 32.739 0.20 1 33 8 8 ARG N N 119.595 0.20 1 34 9 9 ASP H H 8.759 0.02 1 35 9 9 ASP C C 176.510 0.20 1 36 9 9 ASP CA C 54.708 0.20 1 37 9 9 ASP CB C 43.803 0.20 1 38 9 9 ASP N N 122.878 0.20 1 39 10 10 MET H H 9.239 0.02 1 40 10 10 MET C C 176.343 0.20 1 41 10 10 MET CA C 53.872 0.20 1 42 10 10 MET CB C 36.901 0.20 1 43 10 10 MET N N 119.013 0.20 1 44 11 11 ASN H H 9.044 0.02 1 45 11 11 ASN HD21 H 7.459 0.02 1 46 11 11 ASN HD22 H 6.792 0.02 1 47 11 11 ASN C C 174.968 0.20 1 48 11 11 ASN CA C 51.934 0.20 1 49 11 11 ASN CB C 37.476 0.20 1 50 11 11 ASN N N 120.531 0.20 1 51 11 11 ASN ND2 N 113.511 0.20 1 52 12 12 ASN H H 8.427 0.02 1 53 12 12 ASN C C 177.073 0.20 1 54 12 12 ASN CA C 55.737 0.20 1 55 12 12 ASN CB C 37.394 0.20 1 56 12 12 ASN N N 116.985 0.20 1 57 13 13 LYS H H 7.994 0.02 1 58 13 13 LYS C C 179.660 0.20 1 59 13 13 LYS CA C 59.102 0.20 1 60 13 13 LYS CB C 30.781 0.20 1 61 13 13 LYS N N 120.636 0.20 1 62 14 14 ASP H H 8.465 0.02 1 63 14 14 ASP C C 178.963 0.20 1 64 14 14 ASP CA C 56.592 0.20 1 65 14 14 ASP CB C 39.087 0.20 1 66 14 14 ASP N N 121.869 0.20 1 67 15 15 ALA H H 7.878 0.02 1 68 15 15 ALA C C 176.851 0.20 1 69 15 15 ALA CA C 53.777 0.20 1 70 15 15 ALA CB C 17.580 0.20 1 71 15 15 ALA N N 120.314 0.20 1 72 16 16 ARG H H 7.169 0.02 1 73 16 16 ARG C C 177.079 0.20 1 74 16 16 ARG CA C 54.776 0.20 1 75 16 16 ARG CB C 29.559 0.20 1 76 16 16 ARG N N 113.187 0.20 1 77 17 17 GLN H H 7.193 0.02 1 78 17 17 GLN C C 175.200 0.20 1 79 17 17 GLN CA C 56.803 0.20 1 80 17 17 GLN CB C 28.958 0.20 1 81 17 17 GLN N N 122.790 0.20 1 82 18 18 LYS H H 8.416 0.02 1 83 18 18 LYS C C 176.142 0.20 1 84 18 18 LYS CA C 54.470 0.20 1 85 18 18 LYS CB C 33.647 0.20 1 86 18 18 LYS N N 123.782 0.20 1 87 19 19 ILE H H 8.576 0.02 1 88 19 19 ILE C C 176.117 0.20 1 89 19 19 ILE CA C 61.718 0.20 1 90 19 19 ILE CB C 37.509 0.20 1 91 19 19 ILE N N 123.806 0.20 1 92 20 20 LYS H H 8.564 0.02 1 93 20 20 LYS C C 175.614 0.20 1 94 20 20 LYS CA C 56.089 0.20 1 95 20 20 LYS CB C 31.634 0.20 1 96 20 20 LYS N N 128.717 0.20 1 97 21 21 ASP H H 7.568 0.02 1 98 21 21 ASP C C 174.464 0.20 1 99 21 21 ASP CA C 53.731 0.20 1 100 21 21 ASP CB C 41.752 0.20 1 101 21 21 ASP N N 117.430 0.20 1 102 22 22 GLU H H 8.490 0.02 1 103 22 22 GLU C C 177.812 0.20 1 104 22 22 GLU CA C 57.373 0.20 1 105 22 22 GLU CB C 28.730 0.20 1 106 22 22 GLU N N 118.107 0.20 1 107 23 23 VAL H H 8.472 0.02 1 108 23 23 VAL C C 175.801 0.20 1 109 23 23 VAL CA C 59.157 0.20 1 110 23 23 VAL CB C 35.809 0.20 1 111 23 23 VAL N N 114.713 0.20 1 112 24 24 ASN H H 9.069 0.02 1 113 24 24 ASN N N 118.532 0.20 1 114 25 25 THR H H 8.513 0.02 1 115 25 25 THR N N 113.419 0.20 1 116 26 26 GLN H H 8.924 0.02 1 117 26 26 GLN N N 123.332 0.20 1 118 27 27 LYS H H 8.955 0.02 1 119 27 27 LYS N N 124.697 0.20 1 120 28 28 GLU H H 8.054 0.02 1 121 28 28 GLU N N 123.514 0.20 1 122 29 29 GLY H H 8.903 0.02 1 123 29 29 GLY C C 176.084 0.20 1 124 29 29 GLY CA C 46.481 0.20 1 125 29 29 GLY N N 116.210 0.20 1 126 30 30 LYS H H 9.575 0.02 1 127 30 30 LYS C C 176.171 0.20 1 128 30 30 LYS CA C 57.357 0.20 1 129 30 30 LYS CB C 34.176 0.20 1 130 30 30 LYS N N 128.442 0.20 1 131 31 31 PHE H H 8.455 0.02 1 132 31 31 PHE C C 176.598 0.20 1 133 31 31 PHE CA C 58.559 0.20 1 134 31 31 PHE CB C 40.497 0.20 1 135 31 31 PHE N N 115.815 0.20 1 136 32 32 ARG H H 8.855 0.02 1 137 32 32 ARG C C 174.438 0.20 1 138 32 32 ARG CA C 54.441 0.20 1 139 32 32 ARG CB C 30.626 0.20 1 140 32 32 ARG N N 121.161 0.20 1 141 33 33 LEU H H 9.322 0.02 1 142 33 33 LEU C C 174.769 0.20 1 143 33 33 LEU CA C 53.139 0.20 1 144 33 33 LEU CB C 45.135 0.20 1 145 33 33 LEU N N 130.961 0.20 1 146 34 34 THR H H 9.211 0.02 1 147 34 34 THR C C 172.575 0.20 1 148 34 34 THR CA C 61.944 0.20 1 149 34 34 THR CB C 69.552 0.20 1 150 34 34 THR N N 124.829 0.20 1 151 35 35 ILE H H 9.004 0.02 1 152 35 35 ILE C C 173.639 0.20 1 153 35 35 ILE CA C 58.382 0.20 1 154 35 35 ILE CB C 41.431 0.20 1 155 35 35 ILE N N 124.073 0.20 1 156 36 36 LYS H H 8.459 0.02 1 157 36 36 LYS C C 176.611 0.20 1 158 36 36 LYS CA C 57.674 0.20 1 159 36 36 LYS CB C 32.474 0.20 1 160 36 36 LYS N N 126.665 0.20 1 161 37 37 ARG H H 8.346 0.02 1 162 37 37 ARG C C 176.952 0.20 1 163 37 37 ARG CA C 59.171 0.20 1 164 37 37 ARG CB C 28.761 0.20 1 165 37 37 ARG N N 124.150 0.20 1 166 38 38 ASP H H 8.348 0.02 1 167 38 38 ASP C C 176.464 0.20 1 168 38 38 ASP CA C 52.559 0.20 1 169 38 38 ASP CB C 39.083 0.20 1 170 38 38 ASP N N 117.517 0.20 1 171 39 39 ILE H H 7.677 0.02 1 172 39 39 ILE C C 175.944 0.20 1 173 39 39 ILE CA C 61.534 0.20 1 174 39 39 ILE CB C 44.793 0.20 1 175 39 39 ILE N N 119.669 0.20 1 176 40 40 ARG H H 8.230 0.02 1 177 40 40 ARG C C 176.702 0.20 1 178 40 40 ARG CA C 57.479 0.20 1 179 40 40 ARG N N 122.486 0.20 1 180 41 41 ASN H H 8.144 0.02 1 181 41 41 ASN C C 175.931 0.20 1 182 41 41 ASN CA C 52.558 0.20 1 183 41 41 ASN CB C 37.676 0.20 1 184 41 41 ASN N N 114.213 0.20 1 185 42 42 VAL H H 7.754 0.02 1 186 42 42 VAL CA C 63.423 0.20 1 187 42 42 VAL N N 122.379 0.20 1 188 43 43 LEU C C 176.615 0.20 1 189 43 43 LEU CA C 56.159 0.20 1 190 43 43 LEU CB C 42.587 0.20 1 191 44 44 SER H H 7.674 0.02 1 192 44 44 SER C C 170.936 0.20 1 193 44 44 SER CA C 56.600 0.20 1 194 44 44 SER CB C 64.380 0.20 1 195 44 44 SER N N 110.796 0.20 1 196 45 45 LEU H H 8.051 0.02 1 197 45 45 LEU C C 176.484 0.20 1 198 45 45 LEU CA C 52.390 0.20 1 199 45 45 LEU CB C 47.037 0.20 1 200 45 45 LEU N N 117.351 0.20 1 201 46 46 ARG H H 8.906 0.02 1 202 46 46 ARG C C 175.595 0.20 1 203 46 46 ARG CA C 54.318 0.20 1 204 46 46 ARG CB C 31.444 0.20 1 205 46 46 ARG N N 125.253 0.20 1 206 47 47 VAL H H 9.018 0.02 1 207 47 47 VAL C C 173.214 0.20 1 208 47 47 VAL CA C 61.688 0.20 1 209 47 47 VAL CB C 32.392 0.20 1 210 47 47 VAL N N 126.582 0.20 1 211 48 48 LEU H H 9.011 0.02 1 212 48 48 LEU C C 175.924 0.20 1 213 48 48 LEU CA C 55.022 0.20 1 214 48 48 LEU CB C 45.218 0.20 1 215 48 48 LEU N N 127.344 0.20 1 216 49 49 VAL H H 10.334 0.02 1 217 49 49 VAL C C 173.062 0.20 1 218 49 49 VAL CA C 60.780 0.20 1 219 49 49 VAL CB C 36.969 0.20 1 220 49 49 VAL N N 122.780 0.20 1 221 50 50 ASN H H 8.450 0.02 1 222 50 50 ASN C C 175.800 0.20 1 223 50 50 ASN CA C 50.735 0.20 1 224 50 50 ASN CB C 39.168 0.20 1 225 50 50 ASN N N 123.074 0.20 1 226 51 51 GLY H H 9.263 0.02 1 227 51 51 GLY C C 169.559 0.20 1 228 51 51 GLY CA C 45.343 0.20 1 229 51 51 GLY N N 110.634 0.20 1 230 52 52 THR H H 8.991 0.02 1 231 52 52 THR C C 173.690 0.20 1 232 52 52 THR CA C 61.864 0.20 1 233 52 52 THR CB C 69.092 0.20 1 234 52 52 THR N N 117.262 0.20 1 235 53 53 PHE H H 9.843 0.02 1 236 53 53 PHE C C 174.071 0.20 1 237 53 53 PHE CA C 55.714 0.20 1 238 53 53 PHE CB C 41.254 0.20 1 239 53 53 PHE N N 126.555 0.20 1 240 54 54 LEU H H 9.068 0.02 1 241 54 54 LEU C C 176.018 0.20 1 242 54 54 LEU CA C 53.284 0.20 1 243 54 54 LEU CB C 42.073 0.20 1 244 54 54 LEU N N 121.780 0.20 1 245 55 55 LYS H H 9.025 0.02 1 246 55 55 LYS C C 176.142 0.20 1 247 55 55 LYS CA C 54.953 0.20 1 248 55 55 LYS CB C 32.880 0.20 1 249 55 55 LYS N N 125.063 0.20 1 250 56 56 HIS H H 8.966 0.02 1 251 56 56 HIS C C 175.439 0.20 1 252 56 56 HIS CA C 55.362 0.20 1 253 56 56 HIS CB C 28.782 0.20 1 254 56 56 HIS N N 126.938 0.20 1 255 57 57 PRO C C 176.843 0.20 1 256 57 57 PRO CA C 65.152 0.20 1 257 57 57 PRO CB C 30.666 0.20 1 258 58 58 ASN H H 8.071 0.02 1 259 58 58 ASN C C 176.308 0.20 1 260 58 58 ASN CA C 52.531 0.20 1 261 58 58 ASN CB C 36.680 0.20 1 262 58 58 ASN N N 114.484 0.20 1 263 59 59 GLY H H 8.334 0.02 1 264 59 59 GLY C C 174.495 0.20 1 265 59 59 GLY CA C 44.248 0.20 1 266 59 59 GLY N N 109.574 0.20 1 267 60 60 ASP H H 8.035 0.02 1 268 60 60 ASP C C 175.116 0.20 1 269 60 60 ASP CA C 54.453 0.20 1 270 60 60 ASP CB C 40.003 0.20 1 271 60 60 ASP N N 122.673 0.20 1 272 61 61 LYS H H 8.558 0.02 1 273 61 61 LYS C C 175.972 0.20 1 274 61 61 LYS CA C 54.224 0.20 1 275 61 61 LYS CB C 34.697 0.20 1 276 61 61 LYS N N 119.179 0.20 1 277 62 62 SER H H 8.810 0.02 1 278 62 62 SER C C 173.291 0.20 1 279 62 62 SER CA C 56.354 0.20 1 280 62 62 SER CB C 65.198 0.20 1 281 62 62 SER N N 116.012 0.20 1 282 63 63 LEU H H 9.295 0.02 1 283 63 63 LEU C C 174.604 0.20 1 284 63 63 LEU CA C 56.029 0.20 1 285 63 63 LEU CB C 40.878 0.20 1 286 63 63 LEU N N 127.810 0.20 1 287 64 64 SER H H 8.880 0.02 1 288 64 64 SER C C 174.491 0.20 1 289 64 64 SER CA C 58.769 0.20 1 290 64 64 SER CB C 63.672 0.20 1 291 64 64 SER N N 124.385 0.20 1 292 65 65 THR H H 7.738 0.02 1 293 65 65 THR C C 173.967 0.20 1 294 65 65 THR CA C 60.906 0.20 1 295 65 65 THR CB C 71.077 0.20 1 296 65 65 THR N N 116.090 0.20 1 297 66 66 LEU H H 9.208 0.02 1 298 66 66 LEU C C 174.627 0.20 1 299 66 66 LEU CA C 53.522 0.20 1 300 66 66 LEU CB C 41.196 0.20 1 301 66 66 LEU N N 129.059 0.20 1 302 67 67 HIS H H 8.073 0.02 1 303 67 67 HIS C C 176.557 0.20 1 304 67 67 HIS CA C 56.739 0.20 1 305 67 67 HIS CB C 29.175 0.20 1 306 67 67 HIS N N 127.959 0.20 1 307 68 68 ARG H H 7.779 0.02 1 308 68 68 ARG C C 173.283 0.20 1 309 68 68 ARG CA C 55.295 0.20 1 310 68 68 ARG CB C 32.104 0.20 1 311 68 68 ARG N N 112.958 0.20 1 312 69 69 LEU H H 8.539 0.02 1 313 69 69 LEU C C 173.829 0.20 1 314 69 69 LEU CA C 54.220 0.20 1 315 69 69 LEU CB C 43.059 0.20 1 316 69 69 LEU N N 128.804 0.20 1 317 70 70 ASN H H 9.231 0.02 1 318 70 70 ASN C C 173.388 0.20 1 319 70 70 ASN CA C 50.066 0.20 1 320 70 70 ASN CB C 43.041 0.20 1 321 70 70 ASN N N 126.105 0.20 1 322 71 71 ALA H H 8.357 0.02 1 323 71 71 ALA C C 174.824 0.20 1 324 71 71 ALA CA C 48.994 0.20 1 325 71 71 ALA CB C 20.315 0.20 1 326 71 71 ALA N N 121.992 0.20 1 327 72 72 TYR H H 9.416 0.02 1 328 72 72 TYR C C 176.598 0.20 1 329 72 72 TYR CA C 56.311 0.20 1 330 72 72 TYR CB C 42.167 0.20 1 331 72 72 TYR N N 122.435 0.20 1 332 73 73 ASP H H 9.146 0.02 1 333 73 73 ASP C C 177.988 0.20 1 334 73 73 ASP CA C 52.099 0.20 1 335 73 73 ASP CB C 41.751 0.20 1 336 73 73 ASP N N 119.968 0.20 1 337 74 74 GLN H H 8.764 0.02 1 338 74 74 GLN C C 176.047 0.20 1 339 74 74 GLN CA C 57.916 0.20 1 340 74 74 GLN CB C 24.573 0.20 1 341 74 74 GLN N N 117.440 0.20 1 342 75 75 ASN H H 8.720 0.02 1 343 75 75 ASN C C 175.665 0.20 1 344 75 75 ASN CA C 52.424 0.20 1 345 75 75 ASN CB C 39.081 0.20 1 346 75 75 ASN N N 120.146 0.20 1 347 76 76 GLY H H 8.166 0.02 1 348 76 76 GLY C C 174.415 0.20 1 349 76 76 GLY CA C 44.917 0.20 1 350 76 76 GLY N N 109.499 0.20 1 351 77 77 GLY H H 9.197 0.02 1 352 77 77 GLY C C 173.764 0.20 1 353 77 77 GLY CA C 44.125 0.20 1 354 77 77 GLY N N 112.944 0.20 1 355 78 78 LEU H H 8.694 0.02 1 356 78 78 LEU C C 176.511 0.20 1 357 78 78 LEU CA C 55.379 0.20 1 358 78 78 LEU CB C 40.572 0.20 1 359 78 78 LEU N N 127.580 0.20 1 360 79 79 VAL H H 8.816 0.02 1 361 79 79 VAL C C 174.159 0.20 1 362 79 79 VAL CA C 60.894 0.20 1 363 79 79 VAL N N 120.647 0.20 1 364 80 80 ALA H H 7.558 0.02 1 365 80 80 ALA C C 173.697 0.20 1 366 80 80 ALA CA C 51.046 0.20 1 367 80 80 ALA CB C 21.980 0.20 1 368 80 80 ALA N N 119.570 0.20 1 369 81 81 LYS H H 8.977 0.02 1 370 81 81 LYS C C 173.054 0.20 1 371 81 81 LYS CA C 53.774 0.20 1 372 81 81 LYS CB C 35.959 0.20 1 373 81 81 LYS N N 118.304 0.20 1 374 82 82 LEU H H 9.414 0.02 1 375 82 82 LEU C C 174.328 0.20 1 376 82 82 LEU CA C 53.213 0.20 1 377 82 82 LEU CB C 46.881 0.20 1 378 82 82 LEU N N 126.475 0.20 1 379 83 83 VAL H H 8.329 0.02 1 380 83 83 VAL C C 173.625 0.20 1 381 83 83 VAL CA C 58.924 0.20 1 382 83 83 VAL CB C 34.855 0.20 1 383 83 83 VAL N N 118.923 0.20 1 384 84 84 ALA H H 8.425 0.02 1 385 84 84 ALA C C 179.069 0.20 1 386 84 84 ALA CA C 49.786 0.20 1 387 84 84 ALA CB C 21.628 0.20 1 388 84 84 ALA N N 121.019 0.20 1 389 85 85 THR H H 9.253 0.02 1 390 85 85 THR C C 173.671 0.20 1 391 85 85 THR CA C 62.450 0.20 1 392 85 85 THR CB C 68.662 0.20 1 393 85 85 THR N N 112.460 0.20 1 394 86 86 ASP H H 7.210 0.02 1 395 86 86 ASP C C 174.621 0.20 1 396 86 86 ASP CA C 51.730 0.20 1 397 86 86 ASP CB C 44.044 0.20 1 398 86 86 ASP N N 118.074 0.20 1 399 87 87 ASP H H 8.568 0.02 1 400 87 87 ASP C C 175.274 0.20 1 401 87 87 ASP CA C 54.883 0.20 1 402 87 87 ASP CB C 39.959 0.20 1 403 87 87 ASP N N 120.760 0.20 1 404 88 88 LEU H H 9.017 0.02 1 405 88 88 LEU C C 177.320 0.20 1 406 88 88 LEU CA C 53.753 0.20 1 407 88 88 LEU CB C 43.319 0.20 1 408 88 88 LEU N N 120.909 0.20 1 409 89 89 THR H H 9.740 0.02 1 410 89 89 THR C C 177.801 0.20 1 411 89 89 THR CA C 59.452 0.20 1 412 89 89 THR CB C 72.457 0.20 1 413 89 89 THR N N 113.440 0.20 1 414 90 90 VAL H H 8.759 0.02 1 415 90 90 VAL C C 178.229 0.20 1 416 90 90 VAL CA C 64.946 0.20 1 417 90 90 VAL CB C 30.780 0.20 1 418 90 90 VAL N N 121.326 0.20 1 419 91 91 GLU H H 8.189 0.02 1 420 91 91 GLU C C 177.872 0.20 1 421 91 91 GLU CA C 58.122 0.20 1 422 91 91 GLU CB C 28.027 0.20 1 423 91 91 GLU N N 120.042 0.20 1 424 92 92 ASP H H 7.993 0.02 1 425 92 92 ASP C C 176.523 0.20 1 426 92 92 ASP CA C 56.252 0.20 1 427 92 92 ASP CB C 42.352 0.20 1 428 92 92 ASP N N 117.238 0.20 1 429 93 93 GLU H H 7.759 0.02 1 430 93 93 GLU C C 178.561 0.20 1 431 93 93 GLU CA C 60.380 0.20 1 432 93 93 GLU CB C 28.630 0.20 1 433 93 93 GLU N N 121.009 0.20 1 434 94 94 LYS H H 8.156 0.02 1 435 94 94 LYS C C 179.565 0.20 1 436 94 94 LYS CA C 59.500 0.20 1 437 94 94 LYS CB C 30.007 0.20 1 438 94 94 LYS N N 119.155 0.20 1 439 95 95 ASP H H 8.111 0.02 1 440 95 95 ASP C C 177.616 0.20 1 441 95 95 ASP CA C 57.125 0.20 1 442 95 95 ASP CB C 39.672 0.20 1 443 95 95 ASP N N 121.972 0.20 1 444 96 96 GLY H H 8.062 0.02 1 445 96 96 GLY C C 174.885 0.20 1 446 96 96 GLY CA C 45.362 0.20 1 447 96 96 GLY N N 108.644 0.20 1 448 97 97 HIS H H 8.589 0.02 1 449 97 97 HIS C C 177.234 0.20 1 450 97 97 HIS CA C 60.258 0.20 1 451 97 97 HIS CB C 28.082 0.20 1 452 97 97 HIS N N 120.231 0.20 1 453 98 98 ARG H H 8.054 0.02 1 454 98 98 ARG C C 179.335 0.20 1 455 98 98 ARG CA C 59.326 0.20 1 456 98 98 ARG CB C 29.423 0.20 1 457 98 98 ARG N N 118.815 0.20 1 458 99 99 ILE H H 8.503 0.02 1 459 99 99 ILE C C 176.610 0.20 1 460 99 99 ILE CA C 62.565 0.20 1 461 99 99 ILE N N 121.294 0.20 1 462 100 100 LEU H H 7.329 0.02 1 463 100 100 LEU C C 177.789 0.20 1 464 100 100 LEU CA C 56.538 0.20 1 465 100 100 LEU CB C 40.079 0.20 1 466 100 100 LEU N N 122.205 0.20 1 467 101 101 ASN H H 7.824 0.02 1 468 101 101 ASN C C 177.310 0.20 1 469 101 101 ASN CA C 56.190 0.20 1 470 101 101 ASN CB C 36.597 0.20 1 471 101 101 ASN N N 119.564 0.20 1 472 102 102 SER H H 7.626 0.02 1 473 102 102 SER C C 176.305 0.20 1 474 102 102 SER CA C 61.038 0.20 1 475 102 102 SER N N 113.393 0.20 1 476 103 103 LEU H H 7.226 0.02 1 477 103 103 LEU C C 177.417 0.20 1 478 103 103 LEU CA C 58.456 0.20 1 479 103 103 LEU N N 120.876 0.20 1 480 104 104 PHE H H 7.884 0.02 1 481 104 104 PHE C C 178.524 0.20 1 482 104 104 PHE CA C 60.634 0.20 1 483 104 104 PHE N N 115.012 0.20 1 484 105 105 GLU H H 8.969 0.02 1 485 105 105 GLU C C 178.884 0.20 1 486 105 105 GLU N N 120.409 0.20 1 487 106 106 ARG H H 7.549 0.02 1 488 106 106 ARG C C 178.541 0.20 1 489 106 106 ARG N N 117.818 0.20 1 490 107 107 PHE H H 7.403 0.02 1 491 107 107 PHE C C 174.024 0.20 1 492 107 107 PHE CA C 58.383 0.20 1 493 107 107 PHE N N 117.822 0.20 1 494 108 108 ASP H H 8.130 0.02 1 495 108 108 ASP C C 175.245 0.20 1 496 108 108 ASP CA C 53.311 0.20 1 497 108 108 ASP N N 119.315 0.20 1 498 110 110 GLY H H 8.213 0.02 1 499 110 110 GLY C C 173.661 0.20 1 500 110 110 GLY CA C 44.485 0.20 1 501 110 110 GLY N N 109.326 0.20 1 502 111 111 HIS H H 8.003 0.02 1 503 111 111 HIS C C 174.142 0.20 1 504 111 111 HIS CA C 55.003 0.20 1 505 111 111 HIS CB C 27.309 0.20 1 506 111 111 HIS N N 119.182 0.20 1 507 112 112 SER H H 8.922 0.02 1 508 112 112 SER C C 174.738 0.20 1 509 112 112 SER CA C 59.092 0.20 1 510 112 112 SER CB C 64.144 0.20 1 511 112 112 SER N N 117.179 0.20 1 512 113 113 LYS H H 8.518 0.02 1 513 113 113 LYS CA C 54.702 0.20 1 514 113 113 LYS CB C 31.813 0.20 1 515 113 113 LYS N N 126.188 0.20 1 516 114 114 PRO C C 175.614 0.20 1 517 114 114 PRO CA C 63.293 0.20 1 518 114 114 PRO CB C 31.428 0.20 1 519 115 115 ILE H H 8.163 0.02 1 520 115 115 ILE C C 174.525 0.20 1 521 115 115 ILE CA C 60.142 0.20 1 522 115 115 ILE CB C 38.945 0.20 1 523 115 115 ILE N N 121.866 0.20 1 524 116 116 ARG H H 8.678 0.02 1 525 116 116 ARG C C 174.577 0.20 1 526 116 116 ARG CA C 53.698 0.20 1 527 116 116 ARG CB C 32.453 0.20 1 528 116 116 ARG N N 125.531 0.20 1 529 117 117 ALA H H 8.679 0.02 1 530 117 117 ALA C C 175.939 0.20 1 531 117 117 ALA CA C 50.143 0.20 1 532 117 117 ALA CB C 21.959 0.20 1 533 117 117 ALA N N 122.916 0.20 1 534 118 118 ALA H H 7.759 0.02 1 535 118 118 ALA C C 176.608 0.20 1 536 118 118 ALA CA C 50.886 0.20 1 537 118 118 ALA CB C 17.954 0.20 1 538 118 118 ALA N N 123.953 0.20 1 539 119 119 GLU H H 8.383 0.02 1 540 119 119 GLU C C 179.292 0.20 1 541 119 119 GLU CA C 61.193 0.20 1 542 119 119 GLU CB C 29.756 0.20 1 543 119 119 GLU N N 117.601 0.20 1 544 120 120 THR H H 10.955 0.02 1 545 120 120 THR C C 178.315 0.20 1 546 120 120 THR CA C 66.960 0.20 1 547 120 120 THR N N 122.369 0.20 1 548 121 121 ALA H H 8.679 0.02 1 549 121 121 ALA C C 178.874 0.20 1 550 121 121 ALA CA C 55.036 0.20 1 551 121 121 ALA CB C 18.859 0.20 1 552 121 121 ALA N N 126.594 0.20 1 553 122 122 VAL H H 8.631 0.02 1 554 122 122 VAL C C 178.442 0.20 1 555 122 122 VAL CA C 67.676 0.20 1 556 122 122 VAL CB C 31.119 0.20 1 557 122 122 VAL N N 119.942 0.20 1 558 123 123 GLY H H 7.257 0.02 1 559 123 123 GLY C C 177.178 0.20 1 560 123 123 GLY CA C 46.667 0.20 1 561 123 123 GLY N N 106.471 0.20 1 562 124 124 VAL H H 7.468 0.02 1 563 124 124 VAL C C 176.916 0.20 1 564 124 124 VAL CA C 66.263 0.20 1 565 124 124 VAL CB C 31.148 0.20 1 566 124 124 VAL N N 123.106 0.20 1 567 125 125 LEU H H 8.863 0.02 1 568 125 125 LEU C C 179.364 0.20 1 569 125 125 LEU CA C 58.398 0.20 1 570 125 125 LEU CB C 38.667 0.20 1 571 125 125 LEU N N 119.062 0.20 1 572 126 126 SER H H 8.310 0.02 1 573 126 126 SER C C 177.585 0.20 1 574 126 126 SER CA C 60.913 0.20 1 575 126 126 SER CB C 62.521 0.20 1 576 126 126 SER N N 114.190 0.20 1 577 127 127 GLN H H 7.960 0.02 1 578 127 127 GLN C C 177.272 0.20 1 579 127 127 GLN CA C 58.570 0.20 1 580 127 127 GLN CB C 26.361 0.20 1 581 127 127 GLN N N 124.793 0.20 1 582 128 128 PHE H H 7.416 0.02 1 583 128 128 PHE C C 176.340 0.20 1 584 128 128 PHE CA C 55.569 0.20 1 585 128 128 PHE CB C 37.337 0.20 1 586 128 128 PHE N N 112.509 0.20 1 587 129 129 GLY H H 7.813 0.02 1 588 129 129 GLY C C 175.757 0.20 1 589 129 129 GLY CA C 48.226 0.20 1 590 129 129 GLY N N 109.826 0.20 1 591 130 130 GLN H H 8.615 0.02 1 592 130 130 GLN C C 176.755 0.20 1 593 130 130 GLN CA C 53.212 0.20 1 594 130 130 GLN CB C 28.303 0.20 1 595 130 130 GLN N N 114.149 0.20 1 596 131 131 GLU H H 9.279 0.02 1 597 131 131 GLU C C 177.726 0.20 1 598 131 131 GLU CA C 59.353 0.20 1 599 131 131 GLU CB C 27.224 0.20 1 600 131 131 GLU N N 123.468 0.20 1 601 132 132 HIS H H 8.326 0.02 1 602 132 132 HIS C C 175.820 0.20 1 603 132 132 HIS CA C 56.855 0.20 1 604 132 132 HIS CB C 27.958 0.20 1 605 132 132 HIS N N 117.443 0.20 1 606 133 133 ARG H H 7.010 0.02 1 607 133 133 ARG C C 176.688 0.20 1 608 133 133 ARG CA C 55.180 0.20 1 609 133 133 ARG CB C 28.596 0.20 1 610 133 133 ARG N N 117.916 0.20 1 611 134 134 LEU H H 7.033 0.02 1 612 134 134 LEU C C 177.382 0.20 1 613 134 134 LEU CA C 54.079 0.20 1 614 134 134 LEU CB C 40.877 0.20 1 615 134 134 LEU N N 116.070 0.20 1 616 135 135 SER H H 8.502 0.02 1 617 135 135 SER C C 178.038 0.20 1 618 135 135 SER CA C 56.584 0.20 1 619 135 135 SER CB C 63.043 0.20 1 620 135 135 SER N N 118.664 0.20 1 621 136 136 PRO C C 177.125 0.20 1 622 136 136 PRO CA C 62.502 0.20 1 623 136 136 PRO CB C 31.467 0.20 1 624 137 137 GLU H H 8.565 0.02 1 625 137 137 GLU C C 176.644 0.20 1 626 137 137 GLU CA C 56.355 0.20 1 627 137 137 GLU CB C 29.087 0.20 1 628 137 137 GLU N N 121.827 0.20 1 629 138 138 GLU H H 8.558 0.02 1 630 138 138 GLU C C 177.126 0.20 1 631 138 138 GLU CA C 56.478 0.20 1 632 138 138 GLU CB C 29.333 0.20 1 633 138 138 GLU N N 122.666 0.20 1 634 139 139 GLY H H 8.365 0.02 1 635 139 139 GLY C C 173.706 0.20 1 636 139 139 GLY CA C 44.624 0.20 1 637 139 139 GLY N N 110.582 0.20 1 638 140 140 ASP H H 8.233 0.02 1 639 140 140 ASP C C 175.221 0.20 1 640 140 140 ASP CA C 53.899 0.20 1 641 140 140 ASP CB C 40.556 0.20 1 642 140 140 ASP N N 121.281 0.20 1 643 141 141 ASN H H 7.962 0.02 1 644 141 141 ASN C C 179.633 0.20 1 645 141 141 ASN CA C 54.331 0.20 1 646 141 141 ASN CB C 40.710 0.20 1 647 141 141 ASN N N 124.396 0.20 1 stop_ save_