data_18815 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; N-histidine-tagged EIAV-CA ; _BMRB_accession_number 18815 _BMRB_flat_file_name bmr18815.str _Entry_type original _Submission_date 2012-10-31 _Accession_date 2012-10-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'the variant EIAV-CA with an N-terminal histidine tag' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Kang . . 2 Tjandra Nico . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 207 "13C chemical shifts" 650 "15N chemical shifts" 207 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-07 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18421 eiavCAmonomer stop_ _Original_release_date 2012-11-07 save_ ############################# # Citation for this entry # ############################# save_Citation _Saveframe_category entry_citation _Citation_full . _Citation_title eiav-ca _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Kang . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name his-eiav-ca _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label his-eiav-ca $his-eiav-ca 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_his-eiav-ca _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common his-eiav-ca _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 237 _Mol_residue_sequence ; AHHHHHHGPIMIDGAGNRNF RPLTPRGYTTWVNTIQTNGL LNEASQNLFGILSVDCTSEE MNAFLDVVPGQAGQKQILLD AIDKIADDWDNRHPLPNAPL VAPPQGPIPMTARFIRGLGV PRERQMEPAFDQFRQTYRQW IIEAMSEGIKVMIGKPKAQN IRQGAKEPYPEFVDRLLSQI KSEGHPQEISKFLTDTLTIQ NANEECRNAMRHLRPEDTLE EKMYACRDIGTTKQKMM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 ALA 2 -6 HIS 3 -5 HIS 4 -4 HIS 5 -3 HIS 6 -2 HIS 7 -1 HIS 8 0 GLY 9 1 PRO 10 2 ILE 11 3 MET 12 4 ILE 13 5 ASP 14 6 GLY 15 7 ALA 16 8 GLY 17 9 ASN 18 10 ARG 19 11 ASN 20 12 PHE 21 13 ARG 22 14 PRO 23 15 LEU 24 16 THR 25 17 PRO 26 18 ARG 27 19 GLY 28 20 TYR 29 21 THR 30 22 THR 31 23 TRP 32 24 VAL 33 25 ASN 34 26 THR 35 27 ILE 36 28 GLN 37 29 THR 38 30 ASN 39 31 GLY 40 32 LEU 41 33 LEU 42 34 ASN 43 35 GLU 44 36 ALA 45 37 SER 46 38 GLN 47 39 ASN 48 40 LEU 49 41 PHE 50 42 GLY 51 43 ILE 52 44 LEU 53 45 SER 54 46 VAL 55 47 ASP 56 48 CYS 57 49 THR 58 50 SER 59 51 GLU 60 52 GLU 61 53 MET 62 54 ASN 63 55 ALA 64 56 PHE 65 57 LEU 66 58 ASP 67 59 VAL 68 60 VAL 69 61 PRO 70 62 GLY 71 63 GLN 72 64 ALA 73 65 GLY 74 66 GLN 75 67 LYS 76 68 GLN 77 69 ILE 78 70 LEU 79 71 LEU 80 72 ASP 81 73 ALA 82 74 ILE 83 75 ASP 84 76 LYS 85 77 ILE 86 78 ALA 87 79 ASP 88 80 ASP 89 81 TRP 90 82 ASP 91 83 ASN 92 84 ARG 93 85 HIS 94 86 PRO 95 87 LEU 96 88 PRO 97 89 ASN 98 90 ALA 99 91 PRO 100 92 LEU 101 93 VAL 102 94 ALA 103 95 PRO 104 96 PRO 105 97 GLN 106 98 GLY 107 99 PRO 108 100 ILE 109 101 PRO 110 102 MET 111 103 THR 112 104 ALA 113 105 ARG 114 106 PHE 115 107 ILE 116 108 ARG 117 109 GLY 118 110 LEU 119 111 GLY 120 112 VAL 121 113 PRO 122 114 ARG 123 115 GLU 124 116 ARG 125 117 GLN 126 118 MET 127 119 GLU 128 120 PRO 129 121 ALA 130 122 PHE 131 123 ASP 132 124 GLN 133 125 PHE 134 126 ARG 135 127 GLN 136 128 THR 137 129 TYR 138 130 ARG 139 131 GLN 140 132 TRP 141 133 ILE 142 134 ILE 143 135 GLU 144 136 ALA 145 137 MET 146 138 SER 147 139 GLU 148 140 GLY 149 141 ILE 150 142 LYS 151 143 VAL 152 144 MET 153 145 ILE 154 146 GLY 155 147 LYS 156 148 PRO 157 149 LYS 158 150 ALA 159 151 GLN 160 152 ASN 161 153 ILE 162 154 ARG 163 155 GLN 164 156 GLY 165 157 ALA 166 158 LYS 167 159 GLU 168 160 PRO 169 161 TYR 170 162 PRO 171 163 GLU 172 164 PHE 173 165 VAL 174 166 ASP 175 167 ARG 176 168 LEU 177 169 LEU 178 170 SER 179 171 GLN 180 172 ILE 181 173 LYS 182 174 SER 183 175 GLU 184 176 GLY 185 177 HIS 186 178 PRO 187 179 GLN 188 180 GLU 189 181 ILE 190 182 SER 191 183 LYS 192 184 PHE 193 185 LEU 194 186 THR 195 187 ASP 196 188 THR 197 189 LEU 198 190 THR 199 191 ILE 200 192 GLN 201 193 ASN 202 194 ALA 203 195 ASN 204 196 GLU 205 197 GLU 206 198 CYS 207 199 ARG 208 200 ASN 209 201 ALA 210 202 MET 211 203 ARG 212 204 HIS 213 205 LEU 214 206 ARG 215 207 PRO 216 208 GLU 217 209 ASP 218 210 THR 219 211 LEU 220 212 GLU 221 213 GLU 222 214 LYS 223 215 MET 224 216 TYR 225 217 ALA 226 218 CYS 227 219 ARG 228 220 ASP 229 221 ILE 230 222 GLY 231 223 THR 232 224 THR 233 225 LYS 234 226 GLN 235 227 LYS 236 228 MET 237 229 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 BMRB 18421 eiavCA 96.62 230 100.00 100.00 5.90e-169 PDB 1EIA "X-Ray Crystal Structure Of Equine Infectious Anemia Virus (Eiav) Capsid Protein P26" 87.34 207 100.00 100.00 1.75e-151 PDB 2EIA "X-Ray Crystal Structure Of Equine Infectious Anemia Virus (Eiav) Capsid Protein P26" 86.92 206 100.00 100.00 1.14e-150 DBJ BAB12103 "gag polyprotein [Equine infectious anemia virus]" 96.62 488 98.69 99.56 7.33e-165 DBJ BAB12109 "gag polyprotein [Equine infectious anemia virus]" 96.62 488 97.82 99.13 2.79e-163 GB AAA43003 "gag protein [Equine infectious anemia virus]" 96.62 486 100.00 100.00 1.22e-166 GB AAA43010 "gag protein, partial [Equine infectious anemia virus]" 96.62 365 100.00 100.00 7.01e-169 GB AAA43011 "gag [Equine infectious anemia virus]" 96.62 512 100.00 100.00 5.99e-166 GB AAB59861 "gag protein [Equine infectious anemia virus]" 96.62 486 100.00 100.00 1.22e-166 GB AAC03760 "gag polyprotein [Equine infectious anemia virus]" 96.62 486 100.00 100.00 1.22e-166 REF NP_056901 "gag protein [Equine infectious anemia virus]" 96.62 486 100.00 100.00 1.22e-166 SP P69730 "RecName: Full=Gag polyprotein; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: RecName: Full=Capsid protein p26" 96.62 486 100.00 100.00 1.22e-166 SP P69731 "RecName: Full=Gag polyprotein; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: RecName: Full=Capsid protein p26" 96.62 486 100.00 100.00 1.22e-166 SP P69732 "RecName: Full=Gag polyprotein; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: RecName: Full=Capsid protein p26" 96.62 486 100.00 100.00 1.22e-166 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $his-eiav-ca 'swamp fever' 11665 Viruses . Lentivirus . 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 $his-eiav-ca 'recombinant technology' . Escherichia coli . pET15b 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 $his-eiav-ca 0.15 mM '[U-13C; U-15N; U-2H]' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . 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 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 6.7 . pH pressure 1 . atm temperature 300 . 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 HNCACB' '3D HN(CO)CA' '3D HNCO' 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 his-eiav-ca _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 9 PRO C C 176.9 0.05 1 2 1 9 PRO CA C 62.61 0.05 1 3 1 9 PRO CB C 31.33 0.05 1 4 2 10 ILE H H 8.163 0.05 1 5 2 10 ILE C C 176.1 0.05 1 6 2 10 ILE CA C 60.68 0.05 1 7 2 10 ILE CB C 37.69 0.05 1 8 2 10 ILE N N 121.7 0.05 1 9 3 11 MET H H 8.339 0.05 1 10 3 11 MET C C 175.7 0.05 1 11 3 11 MET CA C 54.53 0.05 1 12 3 11 MET CB C 32.08 0.05 1 13 3 11 MET N N 125.7 0.05 1 14 4 12 ILE H H 8.098 0.05 1 15 4 12 ILE C C 175.8 0.05 1 16 4 12 ILE CA C 60.42 0.05 1 17 4 12 ILE CB C 38.02 0.05 1 18 4 12 ILE N N 123.2 0.05 1 19 5 13 ASP H H 8.300 0.05 1 20 5 13 ASP C C 176.8 0.05 1 21 5 13 ASP CA C 53.93 0.05 1 22 5 13 ASP CB C 40.68 0.05 1 23 5 13 ASP N N 125.1 0.05 1 24 6 14 GLY H H 8.259 0.05 1 25 6 14 GLY C C 174.3 0.05 1 26 6 14 GLY CA C 45.19 0.05 1 27 6 14 GLY N N 110.3 0.05 1 28 7 15 ALA H H 8.090 0.05 1 29 7 15 ALA C C 178.4 0.05 1 30 7 15 ALA CA C 52.32 0.05 1 31 7 15 ALA CB C 18.23 0.05 1 32 7 15 ALA N N 124.1 0.05 1 33 8 16 GLY H H 8.245 0.05 1 34 8 16 GLY C C 174.1 0.05 1 35 8 16 GLY CA C 45.01 0.05 1 36 8 16 GLY N N 108.1 0.05 1 37 9 17 ASN H H 8.143 0.05 1 38 9 17 ASN C C 175.5 0.05 1 39 9 17 ASN CA C 52.84 0.05 1 40 9 17 ASN CB C 38.25 0.05 1 41 9 17 ASN N N 119.3 0.05 1 42 10 18 ARG H H 8.249 0.05 1 43 10 18 ARG C C 176.0 0.05 1 44 10 18 ARG CA C 56.01 0.05 1 45 10 18 ARG CB C 29.47 0.05 1 46 10 18 ARG N N 121.9 0.05 1 47 11 19 ASN H H 8.257 0.05 1 48 11 19 ASN C C 174.5 0.05 1 49 11 19 ASN CA C 52.82 0.05 1 50 11 19 ASN CB C 38.26 0.05 1 51 11 19 ASN N N 119.4 0.05 1 52 12 20 PHE H H 7.949 0.05 1 53 12 20 PHE C C 175.0 0.05 1 54 12 20 PHE CA C 57.31 0.05 1 55 12 20 PHE CB C 38.82 0.05 1 56 12 20 PHE N N 121.3 0.05 1 57 13 21 ARG H H 8.002 0.05 1 58 13 21 ARG C C 173.5 0.05 1 59 13 21 ARG CA C 53.03 0.05 1 60 13 21 ARG CB C 29.47 0.05 1 61 13 21 ARG N N 125.4 0.05 1 62 14 22 PRO C C 176.5 0.05 1 63 14 22 PRO CA C 62.48 0.05 1 64 14 22 PRO CB C 31.22 0.05 1 65 15 23 LEU H H 8.145 0.05 1 66 15 23 LEU C C 176.8 0.05 1 67 15 23 LEU CA C 54.65 0.05 1 68 15 23 LEU CB C 41.56 0.05 1 69 15 23 LEU N N 122.5 0.05 1 70 16 24 THR H H 8.006 0.05 1 71 16 24 THR C C 172.6 0.05 1 72 16 24 THR CA C 58.12 0.05 1 73 16 24 THR CB C 69.16 0.05 1 74 16 24 THR N N 116.6 0.05 1 75 17 25 PRO C C 176.5 0.05 1 76 17 25 PRO CA C 62.07 0.05 1 77 17 25 PRO CB C 31.26 0.05 1 78 18 26 ARG H H 8.354 0.05 1 79 18 26 ARG C C 177.1 0.05 1 80 18 26 ARG CA C 57.15 0.05 1 81 18 26 ARG CB C 29.01 0.05 1 82 18 26 ARG N N 122.4 0.05 1 83 19 27 GLY H H 8.569 0.05 1 84 19 27 GLY C C 175.0 0.05 1 85 19 27 GLY CA C 45.44 0.05 1 86 19 27 GLY N N 110.8 0.05 1 87 20 28 TYR H H 7.964 0.05 1 88 20 28 TYR C C 176.6 0.05 1 89 20 28 TYR CA C 61.84 0.05 1 90 20 28 TYR CB C 38.27 0.05 1 91 20 28 TYR N N 120.9 0.05 1 92 21 29 THR H H 8.455 0.05 1 93 21 29 THR C C 176.4 0.05 1 94 21 29 THR CA C 66.13 0.05 1 95 21 29 THR CB C 67.73 0.05 1 96 21 29 THR N N 113.5 0.05 1 97 22 30 THR H H 7.647 0.05 1 98 22 30 THR C C 177.1 0.05 1 99 22 30 THR CA C 65.73 0.05 1 100 22 30 THR CB C 68.00 0.05 1 101 22 30 THR N N 119.3 0.05 1 102 23 31 TRP H H 8.423 0.05 1 103 23 31 TRP C C 176.0 0.05 1 104 23 31 TRP CA C 59.71 0.05 1 105 23 31 TRP CB C 28.85 0.05 1 106 23 31 TRP N N 126.2 0.05 1 107 24 32 VAL H H 8.460 0.05 1 108 24 32 VAL C C 178.3 0.05 1 109 24 32 VAL CA C 66.69 0.05 1 110 24 32 VAL CB C 30.66 0.05 1 111 24 32 VAL N N 118.1 0.05 1 112 25 33 ASN H H 7.928 0.05 1 113 25 33 ASN C C 178.2 0.05 1 114 25 33 ASN CA C 56.02 0.05 1 115 25 33 ASN CB C 37.75 0.05 1 116 25 33 ASN N N 117.2 0.05 1 117 26 34 THR H H 8.017 0.05 1 118 26 34 THR C C 176.3 0.05 1 119 26 34 THR CA C 66.94 0.05 1 120 26 34 THR CB C 67.72 0.05 1 121 26 34 THR N N 118.9 0.05 1 122 27 35 ILE H H 8.038 0.05 1 123 27 35 ILE C C 179.4 0.05 1 124 27 35 ILE CA C 62.43 0.05 1 125 27 35 ILE CB C 35.17 0.05 1 126 27 35 ILE N N 122.1 0.05 1 127 28 36 GLN H H 8.126 0.05 1 128 28 36 GLN C C 177.7 0.05 1 129 28 36 GLN CA C 58.50 0.05 1 130 28 36 GLN CB C 27.67 0.05 1 131 28 36 GLN N N 120.9 0.05 1 132 29 37 THR H H 7.440 0.05 1 133 29 37 THR C C 175.4 0.05 1 134 29 37 THR CA C 64.62 0.05 1 135 29 37 THR CB C 69.13 0.05 1 136 29 37 THR N N 111.8 0.05 1 137 30 38 ASN H H 8.074 0.05 1 138 30 38 ASN C C 175.5 0.05 1 139 30 38 ASN CA C 54.21 0.05 1 140 30 38 ASN CB C 40.60 0.05 1 141 30 38 ASN N N 117.0 0.05 1 142 31 39 GLY H H 7.660 0.05 1 143 31 39 GLY C C 172.3 0.05 1 144 31 39 GLY CA C 43.42 0.05 1 145 31 39 GLY N N 109.0 0.05 1 146 32 40 LEU H H 7.942 0.05 1 147 32 40 LEU C C 175.7 0.05 1 148 32 40 LEU CA C 57.02 0.05 1 149 32 40 LEU CB C 42.73 0.05 1 150 32 40 LEU N N 121.3 0.05 1 151 33 41 LEU H H 8.034 0.05 1 152 33 41 LEU C C 174.5 0.05 1 153 33 41 LEU CA C 51.41 0.05 1 154 33 41 LEU CB C 38.29 0.05 1 155 33 41 LEU N N 115.2 0.05 1 156 34 42 ASN H H 7.504 0.05 1 157 34 42 ASN C C 174.5 0.05 1 158 34 42 ASN CA C 52.59 0.05 1 159 34 42 ASN CB C 42.77 0.05 1 160 34 42 ASN N N 120.0 0.05 1 161 35 43 GLU H H 9.638 0.05 1 162 35 43 GLU C C 177.3 0.05 1 163 35 43 GLU CA C 60.10 0.05 1 164 35 43 GLU CB C 28.77 0.05 1 165 35 43 GLU N N 127.3 0.05 1 166 36 44 ALA H H 8.447 0.05 1 167 36 44 ALA C C 181.6 0.05 1 168 36 44 ALA CA C 54.93 0.05 1 169 36 44 ALA CB C 17.03 0.05 1 170 36 44 ALA N N 122.9 0.05 1 171 37 45 SER H H 7.481 0.05 1 172 37 45 SER C C 174.4 0.05 1 173 37 45 SER N N 118.2 0.05 1 174 38 46 GLN H H 8.269 0.05 1 175 38 46 GLN C C 178.1 0.05 1 176 38 46 GLN CA C 58.49 0.05 1 177 38 46 GLN CB C 28.78 0.05 1 178 38 46 GLN N N 124.1 0.05 1 179 39 47 ASN H H 8.599 0.05 1 180 39 47 ASN C C 178.2 0.05 1 181 39 47 ASN CA C 55.74 0.05 1 182 39 47 ASN CB C 37.82 0.05 1 183 39 47 ASN N N 119.5 0.05 1 184 40 48 LEU H H 7.871 0.05 1 185 40 48 LEU C C 178.3 0.05 1 186 40 48 LEU CA C 57.35 0.05 1 187 40 48 LEU CB C 40.58 0.05 1 188 40 48 LEU N N 120.9 0.05 1 189 41 49 PHE H H 8.956 0.05 1 190 41 49 PHE C C 179.2 0.05 1 191 41 49 PHE CA C 62.10 0.05 1 192 41 49 PHE CB C 37.76 0.05 1 193 41 49 PHE N N 120.2 0.05 1 194 42 50 GLY H H 8.439 0.05 1 195 42 50 GLY C C 175.2 0.05 1 196 42 50 GLY CA C 47.17 0.05 1 197 42 50 GLY N N 107.8 0.05 1 198 43 51 ILE H H 7.292 0.05 1 199 43 51 ILE C C 178.6 0.05 1 200 43 51 ILE CA C 63.63 0.05 1 201 43 51 ILE CB C 38.10 0.05 1 202 43 51 ILE N N 120.9 0.05 1 203 44 52 LEU H H 8.193 0.05 1 204 44 52 LEU C C 173.8 0.05 1 205 44 52 LEU CA C 56.22 0.05 1 206 44 52 LEU CB C 41.28 0.05 1 207 44 52 LEU N N 118.2 0.05 1 208 45 53 SER H H 7.429 0.05 1 209 45 53 SER C C 173.8 0.05 1 210 45 53 SER N N 118.8 0.05 1 211 48 56 CYS C C 176.1 0.05 1 212 48 56 CYS CA C 60.25 0.05 1 213 48 56 CYS CB C 28.80 0.05 1 214 49 57 THR H H 9.026 0.05 1 215 49 57 THR C C 176.0 0.05 1 216 49 57 THR CA C 61.59 0.05 1 217 49 57 THR CB C 68.89 0.05 1 218 49 57 THR N N 111.3 0.05 1 219 50 58 SER H H 7.195 0.05 1 220 50 58 SER C C 175.6 0.05 1 221 50 58 SER CA C 63.98 0.05 1 222 50 58 SER N N 118.5 0.05 1 223 51 59 GLU H H 9.187 0.05 1 224 51 59 GLU C C 179.7 0.05 1 225 51 59 GLU CA C 59.07 0.05 1 226 51 59 GLU CB C 28.71 0.05 1 227 51 59 GLU N N 123.9 0.05 1 228 52 60 GLU H H 7.848 0.05 1 229 52 60 GLU C C 178.7 0.05 1 230 52 60 GLU CA C 58.85 0.05 1 231 52 60 GLU CB C 28.94 0.05 1 232 52 60 GLU N N 120.6 0.05 1 233 53 61 MET H H 7.984 0.05 1 234 53 61 MET C C 178.2 0.05 1 235 53 61 MET CA C 60.84 0.05 1 236 53 61 MET CB C 32.36 0.05 1 237 53 61 MET N N 118.5 0.05 1 238 54 62 ASN H H 8.460 0.05 1 239 54 62 ASN C C 177.7 0.05 1 240 54 62 ASN CA C 55.91 0.05 1 241 54 62 ASN CB C 36.97 0.05 1 242 54 62 ASN N N 117.3 0.05 1 243 55 63 ALA H H 7.771 0.05 1 244 55 63 ALA C C 180.9 0.05 1 245 55 63 ALA CA C 54.82 0.05 1 246 55 63 ALA CB C 16.39 0.05 1 247 55 63 ALA N N 124.3 0.05 1 248 56 64 PHE H H 7.658 0.05 1 249 56 64 PHE C C 179.1 0.05 1 250 56 64 PHE CA C 61.47 0.05 1 251 56 64 PHE CB C 36.82 0.05 1 252 56 64 PHE N N 117.0 0.05 1 253 57 65 LEU H H 7.543 0.05 1 254 57 65 LEU C C 178.4 0.05 1 255 57 65 LEU CA C 56.76 0.05 1 256 57 65 LEU CB C 40.09 0.05 1 257 57 65 LEU N N 117.6 0.05 1 258 58 66 ASP H H 8.101 0.05 1 259 58 66 ASP C C 177.7 0.05 1 260 58 66 ASP CA C 55.81 0.05 1 261 58 66 ASP CB C 40.48 0.05 1 262 58 66 ASP N N 118.3 0.05 1 263 59 67 VAL H H 7.353 0.05 1 264 59 67 VAL C C 175.6 0.05 1 265 59 67 VAL CA C 61.92 0.05 1 266 59 67 VAL CB C 31.44 0.05 1 267 59 67 VAL N N 114.4 0.05 1 268 60 68 VAL H H 7.347 0.05 1 269 60 68 VAL C C 174.3 0.05 1 270 60 68 VAL CA C 60.00 0.05 1 271 60 68 VAL CB C 31.55 0.05 1 272 60 68 VAL N N 122.6 0.05 1 273 61 69 PRO C C 177.0 0.05 1 274 61 69 PRO CA C 61.94 0.05 1 275 61 69 PRO CB C 31.09 0.05 1 276 62 70 GLY H H 8.406 0.05 1 277 62 70 GLY C C 174.6 0.05 1 278 62 70 GLY CA C 46.07 0.05 1 279 62 70 GLY N N 109.4 0.05 1 280 63 71 GLN H H 8.240 0.05 1 281 63 71 GLN C C 176.2 0.05 1 282 63 71 GLN CA C 55.44 0.05 1 283 63 71 GLN CB C 26.88 0.05 1 284 63 71 GLN N N 118.5 0.05 1 285 64 72 ALA H H 8.190 0.05 1 286 64 72 ALA C C 179.6 0.05 1 287 64 72 ALA CA C 53.99 0.05 1 288 64 72 ALA CB C 17.83 0.05 1 289 64 72 ALA N N 122.9 0.05 1 290 65 73 GLY H H 8.506 0.05 1 291 65 73 GLY C C 176.4 0.05 1 292 65 73 GLY CA C 46.24 0.05 1 293 65 73 GLY N N 108.2 0.05 1 294 66 74 GLN H H 7.998 0.05 1 295 66 74 GLN C C 177.7 0.05 1 296 66 74 GLN CA C 59.42 0.05 1 297 66 74 GLN CB C 27.90 0.05 1 298 66 74 GLN N N 121.0 0.05 1 299 67 75 LYS H H 8.090 0.05 1 300 67 75 LYS C C 177.6 0.05 1 301 67 75 LYS CA C 59.27 0.05 1 302 67 75 LYS CB C 31.38 0.05 1 303 67 75 LYS N N 119.3 0.05 1 304 68 76 GLN H H 7.744 0.05 1 305 68 76 GLN C C 177.7 0.05 1 306 68 76 GLN CA C 58.14 0.05 1 307 68 76 GLN CB C 27.38 0.05 1 308 68 76 GLN N N 118.5 0.05 1 309 69 77 ILE H H 7.357 0.05 1 310 69 77 ILE C C 179.1 0.05 1 311 69 77 ILE CA C 64.38 0.05 1 312 69 77 ILE CB C 37.34 0.05 1 313 69 77 ILE N N 119.1 0.05 1 314 70 78 LEU H H 7.684 0.05 1 315 70 78 LEU C C 178.0 0.05 1 316 70 78 LEU CA C 57.85 0.05 1 317 70 78 LEU CB C 40.70 0.05 1 318 70 78 LEU N N 121.0 0.05 1 319 71 79 LEU H H 8.637 0.05 1 320 71 79 LEU C C 179.6 0.05 1 321 71 79 LEU CA C 57.83 0.05 1 322 71 79 LEU CB C 39.45 0.05 1 323 71 79 LEU N N 119.8 0.05 1 324 72 80 ASP H H 8.551 0.05 1 325 72 80 ASP C C 178.9 0.05 1 326 72 80 ASP CA C 56.91 0.05 1 327 72 80 ASP CB C 39.43 0.05 1 328 72 80 ASP N N 120.1 0.05 1 329 73 81 ALA H H 7.673 0.05 1 330 73 81 ALA C C 180.8 0.05 1 331 73 81 ALA CA C 54.67 0.05 1 332 73 81 ALA CB C 17.22 0.05 1 333 73 81 ALA N N 123.5 0.05 1 334 74 82 ILE H H 8.327 0.05 1 335 74 82 ILE C C 177.3 0.05 1 336 74 82 ILE CA C 65.73 0.05 1 337 74 82 ILE CB C 37.05 0.05 1 338 74 82 ILE N N 121.2 0.05 1 339 75 83 ASP H H 8.427 0.05 1 340 75 83 ASP C C 178.2 0.05 1 341 75 83 ASP CA C 57.20 0.05 1 342 75 83 ASP CB C 39.22 0.05 1 343 75 83 ASP N N 120.3 0.05 1 344 76 84 LYS H H 7.411 0.05 1 345 76 84 LYS C C 179.4 0.05 1 346 76 84 LYS CA C 59.09 0.05 1 347 76 84 LYS CB C 31.26 0.05 1 348 76 84 LYS N N 119.6 0.05 1 349 77 85 ILE H H 7.216 0.05 1 350 77 85 ILE C C 178.4 0.05 1 351 77 85 ILE CA C 64.77 0.05 1 352 77 85 ILE CB C 37.92 0.05 1 353 77 85 ILE N N 123.6 0.05 1 354 78 86 ALA H H 8.401 0.05 1 355 78 86 ALA C C 178.9 0.05 1 356 78 86 ALA CA C 53.96 0.05 1 357 78 86 ALA CB C 18.61 0.05 1 358 78 86 ALA N N 125.1 0.05 1 359 79 87 ASP H H 8.292 0.05 1 360 79 87 ASP C C 179.2 0.05 1 361 79 87 ASP CA C 56.88 0.05 1 362 79 87 ASP CB C 39.51 0.05 1 363 79 87 ASP N N 119.0 0.05 1 364 80 88 ASP H H 7.622 0.05 1 365 80 88 ASP C C 177.9 0.05 1 366 80 88 ASP CA C 57.17 0.05 1 367 80 88 ASP CB C 40.83 0.05 1 368 80 88 ASP N N 121.2 0.05 1 369 81 89 TRP H H 8.351 0.05 1 370 81 89 TRP C C 180.2 0.05 1 371 81 89 TRP N N 121.5 0.05 1 372 82 90 ASP H H 8.439 0.05 1 373 82 90 ASP C C 178.8 0.05 1 374 82 90 ASP N N 120.7 0.05 1 375 83 91 ASN H H 8.091 0.05 1 376 83 91 ASN C C 177.2 0.05 1 377 83 91 ASN CA C 55.62 0.05 1 378 83 91 ASN CB C 38.12 0.05 1 379 83 91 ASN N N 119.4 0.05 1 380 84 92 ARG H H 7.530 0.05 1 381 84 92 ARG C C 175.5 0.05 1 382 84 92 ARG CA C 56.24 0.05 1 383 84 92 ARG CB C 29.78 0.05 1 384 84 92 ARG N N 116.8 0.05 1 385 85 93 HIS H H 7.523 0.05 1 386 85 93 HIS C C 179.7 0.05 1 387 85 93 HIS CA C 52.47 0.05 1 388 85 93 HIS CB C 26.74 0.05 1 389 85 93 HIS N N 118.0 0.05 1 390 86 94 PRO C C 177.9 0.05 1 391 86 94 PRO CA C 63.48 0.05 1 392 86 94 PRO CB C 31.34 0.05 1 393 87 95 LEU H H 8.385 0.05 1 394 87 95 LEU C C 174.2 0.05 1 395 87 95 LEU CA C 52.15 0.05 1 396 87 95 LEU CB C 42.22 0.05 1 397 87 95 LEU N N 125.5 0.05 1 398 88 96 PRO C C 177.1 0.05 1 399 88 96 PRO CA C 63.25 0.05 1 400 88 96 PRO CB C 31.17 0.05 1 401 89 97 ASN H H 8.665 0.05 1 402 89 97 ASN C C 174.7 0.05 1 403 89 97 ASN CA C 52.68 0.05 1 404 89 97 ASN CB C 37.32 0.05 1 405 89 97 ASN N N 116.7 0.05 1 406 90 98 ALA H H 7.616 0.05 1 407 90 98 ALA C C 175.5 0.05 1 408 90 98 ALA CA C 50.57 0.05 1 409 90 98 ALA CB C 17.27 0.05 1 410 90 98 ALA N N 123.7 0.05 1 411 91 99 PRO C C 174.8 0.05 1 412 91 99 PRO CA C 61.72 0.05 1 413 91 99 PRO CB C 31.70 0.05 1 414 92 100 LEU H H 8.327 0.05 1 415 92 100 LEU C C 178.1 0.05 1 416 92 100 LEU CA C 55.05 0.05 1 417 92 100 LEU CB C 41.98 0.05 1 418 92 100 LEU N N 116.4 0.05 1 419 93 101 VAL H H 7.372 0.05 1 420 93 101 VAL C C 175.0 0.05 1 421 93 101 VAL CA C 59.40 0.05 1 422 93 101 VAL CB C 33.76 0.05 1 423 93 101 VAL N N 116.6 0.05 1 424 94 102 ALA H H 8.210 0.05 1 425 94 102 ALA C C 173.8 0.05 1 426 94 102 ALA CA C 49.86 0.05 1 427 94 102 ALA CB C 16.21 0.05 1 428 94 102 ALA N N 128.8 0.05 1 429 96 104 PRO C C 176.1 0.05 1 430 96 104 PRO CA C 63.77 0.05 1 431 96 104 PRO CB C 31.01 0.05 1 432 97 105 GLN H H 7.192 0.05 1 433 97 105 GLN C C 175.3 0.05 1 434 97 105 GLN CA C 53.75 0.05 1 435 97 105 GLN CB C 31.28 0.05 1 436 97 105 GLN N N 113.6 0.05 1 437 98 106 GLY H H 8.619 0.05 1 438 98 106 GLY C C 180.9 0.05 1 439 98 106 GLY CA C 44.28 0.05 1 440 98 106 GLY N N 109.4 0.05 1 441 99 107 PRO C C 177.7 0.05 1 442 99 107 PRO CA C 62.82 0.05 1 443 99 107 PRO CB C 32.54 0.05 1 444 100 108 ILE H H 9.478 0.05 1 445 100 108 ILE C C 173.7 0.05 1 446 100 108 ILE CA C 64.00 0.05 1 447 100 108 ILE CB C 35.92 0.05 1 448 100 108 ILE N N 128.0 0.05 1 449 101 109 PRO C C 176.5 0.05 1 450 101 109 PRO CA C 62.50 0.05 1 451 101 109 PRO CB C 31.58 0.05 1 452 102 110 MET H H 8.745 0.05 1 453 102 110 MET C C 176.3 0.05 1 454 102 110 MET CA C 54.70 0.05 1 455 102 110 MET CB C 30.04 0.05 1 456 102 110 MET N N 125.5 0.05 1 457 103 111 THR H H 8.009 0.05 1 458 103 111 THR C C 174.7 0.05 1 459 103 111 THR CA C 58.70 0.05 1 460 103 111 THR CB C 70.09 0.05 1 461 103 111 THR N N 116.6 0.05 1 462 104 112 ALA H H 10.16 0.05 1 463 104 112 ALA C C 179.6 0.05 1 464 104 112 ALA CA C 55.79 0.05 1 465 104 112 ALA CB C 18.32 0.05 1 466 104 112 ALA N N 125.4 0.05 1 467 105 113 ARG H H 8.656 0.05 1 468 105 113 ARG C C 177.1 0.05 1 469 105 113 ARG CA C 59.58 0.05 1 470 105 113 ARG CB C 29.18 0.05 1 471 105 113 ARG N N 116.8 0.05 1 472 106 114 PHE H H 7.145 0.05 1 473 106 114 PHE C C 180.8 0.05 1 474 106 114 PHE CA C 56.12 0.05 1 475 106 114 PHE CB C 36.31 0.05 1 476 106 114 PHE N N 116.0 0.05 1 477 107 115 ILE H H 8.497 0.05 1 478 107 115 ILE C C 175.8 0.05 1 479 107 115 ILE CA C 66.69 0.05 1 480 107 115 ILE CB C 37.04 0.05 1 481 107 115 ILE N N 125.6 0.05 1 482 108 116 ARG H H 7.216 0.05 1 483 108 116 ARG C C 175.2 0.05 1 484 108 116 ARG CA C 55.76 0.05 1 485 108 116 ARG CB C 30.27 0.05 1 486 108 116 ARG N N 114.5 0.05 1 487 109 117 GLY H H 7.843 0.05 1 488 109 117 GLY C C 174.4 0.05 1 489 109 117 GLY CA C 44.91 0.05 1 490 109 117 GLY N N 105.5 0.05 1 491 110 118 LEU H H 8.177 0.05 1 492 110 118 LEU C C 175.9 0.05 1 493 110 118 LEU CA C 55.04 0.05 1 494 110 118 LEU CB C 39.09 0.05 1 495 110 118 LEU N N 125.7 0.05 1 496 111 119 GLY H H 8.484 0.05 1 497 111 119 GLY C C 174.3 0.05 1 498 111 119 GLY CA C 45.25 0.05 1 499 111 119 GLY N N 109.6 0.05 1 500 112 120 VAL H H 7.071 0.05 1 501 112 120 VAL C C 174.0 0.05 1 502 112 120 VAL CA C 57.81 0.05 1 503 112 120 VAL CB C 31.45 0.05 1 504 112 120 VAL N N 119.4 0.05 1 505 113 121 PRO C C 177.3 0.05 1 506 113 121 PRO CA C 62.61 0.05 1 507 113 121 PRO CB C 32.10 0.05 1 508 114 122 ARG H H 8.879 0.05 1 509 114 122 ARG C C 177.7 0.05 1 510 114 122 ARG CA C 59.91 0.05 1 511 114 122 ARG CB C 29.29 0.05 1 512 114 122 ARG N N 126.6 0.05 1 513 115 123 GLU H H 9.294 0.05 1 514 115 123 GLU C C 180.0 0.05 1 515 115 123 GLU CA C 59.78 0.05 1 516 115 123 GLU CB C 27.43 0.05 1 517 115 123 GLU N N 115.6 0.05 1 518 116 124 ARG H H 6.884 0.05 1 519 116 124 ARG C C 178.1 0.05 1 520 116 124 ARG CA C 58.19 0.05 1 521 116 124 ARG CB C 27.37 0.05 1 522 116 124 ARG N N 115.3 0.05 1 523 117 125 GLN H H 7.163 0.05 1 524 117 125 GLN C C 176.1 0.05 1 525 117 125 GLN CA C 56.90 0.05 1 526 117 125 GLN CB C 26.80 0.05 1 527 117 125 GLN N N 117.7 0.05 1 528 118 126 MET H H 6.800 0.05 1 529 118 126 MET C C 176.3 0.05 1 530 118 126 MET CA C 54.75 0.05 1 531 118 126 MET CB C 32.30 0.05 1 532 118 126 MET N N 114.3 0.05 1 533 119 127 GLU H H 6.848 0.05 1 534 119 127 GLU C C 176.9 0.05 1 535 119 127 GLU CA C 54.21 0.05 1 536 119 127 GLU CB C 28.84 0.05 1 537 119 127 GLU N N 120.1 0.05 1 538 120 128 PRO C C 179.3 0.05 1 539 120 128 PRO CA C 64.36 0.05 1 540 120 128 PRO CB C 30.68 0.05 1 541 121 129 ALA H H 7.778 0.05 1 542 121 129 ALA C C 178.3 0.05 1 543 121 129 ALA CA C 53.82 0.05 1 544 121 129 ALA CB C 17.89 0.05 1 545 121 129 ALA N N 117.7 0.05 1 546 122 130 PHE H H 8.228 0.05 1 547 122 130 PHE C C 178.1 0.05 1 548 122 130 PHE CA C 57.07 0.05 1 549 122 130 PHE CB C 39.95 0.05 1 550 122 130 PHE N N 119.7 0.05 1 551 123 131 ASP H H 8.234 0.05 1 552 123 131 ASP C C 178.2 0.05 1 553 123 131 ASP CA C 58.26 0.05 1 554 123 131 ASP CB C 39.38 0.05 1 555 123 131 ASP N N 125.3 0.05 1 556 124 132 GLN H H 8.862 0.05 1 557 124 132 GLN C C 178.1 0.05 1 558 124 132 GLN CA C 57.83 0.05 1 559 124 132 GLN CB C 27.42 0.05 1 560 124 132 GLN N N 114.9 0.05 1 561 125 133 PHE H H 7.516 0.05 1 562 125 133 PHE C C 176.2 0.05 1 563 125 133 PHE CA C 60.07 0.05 1 564 125 133 PHE CB C 35.66 0.05 1 565 125 133 PHE N N 122.0 0.05 1 566 126 134 ARG H H 7.277 0.05 1 567 126 134 ARG C C 177.8 0.05 1 568 126 134 ARG CA C 58.04 0.05 1 569 126 134 ARG CB C 27.49 0.05 1 570 126 134 ARG N N 117.0 0.05 1 571 127 135 GLN H H 7.928 0.05 1 572 127 135 GLN C C 179.5 0.05 1 573 127 135 GLN CA C 58.53 0.05 1 574 127 135 GLN CB C 27.39 0.05 1 575 127 135 GLN N N 118.9 0.05 1 576 128 136 THR H H 6.989 0.05 1 577 128 136 THR C C 173.8 0.05 1 578 128 136 THR N N 118.3 0.05 1 579 129 137 TYR H H 7.802 0.05 1 580 129 137 TYR C C 177.2 0.05 1 581 129 137 TYR CA C 57.11 0.05 1 582 129 137 TYR CB C 35.80 0.05 1 583 129 137 TYR N N 121.5 0.05 1 584 130 138 ARG C C 177.6 0.05 1 585 130 138 ARG CA C 59.61 0.05 1 586 130 138 ARG CB C 28.74 0.05 1 587 131 139 GLN H H 6.973 0.05 1 588 131 139 GLN C C 179.0 0.05 1 589 131 139 GLN CA C 58.31 0.05 1 590 131 139 GLN CB C 27.03 0.05 1 591 131 139 GLN N N 116.7 0.05 1 592 132 140 TRP H H 8.713 0.05 1 593 132 140 TRP C C 178.5 0.05 1 594 132 140 TRP CA C 58.26 0.05 1 595 132 140 TRP CB C 28.54 0.05 1 596 132 140 TRP N N 122.1 0.05 1 597 133 141 ILE H H 8.350 0.05 1 598 133 141 ILE C C 178.1 0.05 1 599 133 141 ILE CA C 66.12 0.05 1 600 133 141 ILE CB C 36.65 0.05 1 601 133 141 ILE N N 119.6 0.05 1 602 134 142 ILE H H 8.018 0.05 1 603 134 142 ILE C C 179.1 0.05 1 604 134 142 ILE CA C 66.68 0.05 1 605 134 142 ILE CB C 37.40 0.05 1 606 134 142 ILE N N 120.7 0.05 1 607 135 143 GLU H H 8.592 0.05 1 608 135 143 GLU C C 179.4 0.05 1 609 135 143 GLU CA C 58.86 0.05 1 610 135 143 GLU CB C 28.25 0.05 1 611 135 143 GLU N N 121.6 0.05 1 612 136 144 ALA H H 9.060 0.05 1 613 136 144 ALA C C 180.2 0.05 1 614 136 144 ALA CA C 54.60 0.05 1 615 136 144 ALA CB C 19.26 0.05 1 616 136 144 ALA N N 124.8 0.05 1 617 137 145 MET H H 8.648 0.05 1 618 137 145 MET C C 177.7 0.05 1 619 137 145 MET CA C 59.89 0.05 1 620 137 145 MET CB C 31.89 0.05 1 621 137 145 MET N N 118.8 0.05 1 622 138 146 SER H H 7.804 0.05 1 623 138 146 SER C C 177.3 0.05 1 624 138 146 SER CA C 62.23 0.05 1 625 138 146 SER N N 116.8 0.05 1 626 139 147 GLU H H 8.042 0.05 1 627 139 147 GLU C C 179.3 0.05 1 628 139 147 GLU CA C 58.29 0.05 1 629 139 147 GLU CB C 27.96 0.05 1 630 139 147 GLU N N 122.5 0.05 1 631 140 148 GLY H H 8.784 0.05 1 632 140 148 GLY C C 175.2 0.05 1 633 140 148 GLY CA C 47.27 0.05 1 634 140 148 GLY N N 108.9 0.05 1 635 141 149 ILE H H 8.511 0.05 1 636 141 149 ILE C C 177.8 0.05 1 637 141 149 ILE CA C 65.72 0.05 1 638 141 149 ILE CB C 37.69 0.05 1 639 141 149 ILE N N 123.8 0.05 1 640 142 150 LYS H H 7.223 0.05 1 641 142 150 LYS C C 179.9 0.05 1 642 142 150 LYS CA C 59.36 0.05 1 643 142 150 LYS CB C 31.22 0.05 1 644 142 150 LYS N N 118.5 0.05 1 645 143 151 VAL H H 7.727 0.05 1 646 143 151 VAL C C 178.5 0.05 1 647 143 151 VAL CA C 65.04 0.05 1 648 143 151 VAL CB C 30.87 0.05 1 649 143 151 VAL N N 119.7 0.05 1 650 144 152 MET H H 7.788 0.05 1 651 144 152 MET C C 178.7 0.05 1 652 144 152 MET CA C 56.06 0.05 1 653 144 152 MET CB C 30.64 0.05 1 654 144 152 MET N N 118.7 0.05 1 655 145 153 ILE H H 7.881 0.05 1 656 145 153 ILE C C 177.5 0.05 1 657 145 153 ILE CA C 62.72 0.05 1 658 145 153 ILE CB C 37.34 0.05 1 659 145 153 ILE N N 119.1 0.05 1 660 146 154 GLY H H 7.753 0.05 1 661 146 154 GLY C C 174.0 0.05 1 662 146 154 GLY CA C 44.78 0.05 1 663 146 154 GLY N N 109.4 0.05 1 664 147 155 LYS H H 7.717 0.05 1 665 147 155 LYS C C 174.5 0.05 1 666 147 155 LYS CA C 53.93 0.05 1 667 147 155 LYS CB C 31.17 0.05 1 668 147 155 LYS N N 122.6 0.05 1 669 148 156 PRO C C 176.0 0.05 1 670 148 156 PRO CA C 62.93 0.05 1 671 148 156 PRO CB C 31.24 0.05 1 672 149 157 LYS H H 7.975 0.05 1 673 149 157 LYS C C 178.4 0.05 1 674 149 157 LYS CA C 54.51 0.05 1 675 149 157 LYS CB C 34.08 0.05 1 676 149 157 LYS N N 119.9 0.05 1 677 150 158 ALA H H 10.20 0.05 1 678 150 158 ALA C C 177.8 0.05 1 679 150 158 ALA CA C 55.83 0.05 1 680 150 158 ALA CB C 17.99 0.05 1 681 150 158 ALA N N 127.7 0.05 1 682 151 159 GLN H H 8.740 0.05 1 683 151 159 GLN C C 176.4 0.05 1 684 151 159 GLN CA C 58.81 0.05 1 685 151 159 GLN CB C 27.12 0.05 1 686 151 159 GLN N N 111.7 0.05 1 687 152 160 ASN H H 7.934 0.05 1 688 152 160 ASN C C 175.0 0.05 1 689 152 160 ASN CA C 52.35 0.05 1 690 152 160 ASN CB C 38.95 0.05 1 691 152 160 ASN N N 115.6 0.05 1 692 153 161 ILE H H 7.599 0.05 1 693 153 161 ILE C C 174.1 0.05 1 694 153 161 ILE CA C 60.01 0.05 1 695 153 161 ILE CB C 33.65 0.05 1 696 153 161 ILE N N 124.0 0.05 1 697 154 162 ARG H H 8.205 0.05 1 698 154 162 ARG C C 175.7 0.05 1 699 154 162 ARG CA C 53.64 0.05 1 700 154 162 ARG CB C 31.88 0.05 1 701 154 162 ARG N N 126.9 0.05 1 702 155 163 GLN H H 7.404 0.05 1 703 155 163 GLN C C 177.2 0.05 1 704 155 163 GLN CA C 54.78 0.05 1 705 155 163 GLN CB C 26.91 0.05 1 706 155 163 GLN N N 126.5 0.05 1 707 156 164 GLY H H 9.616 0.05 1 708 156 164 GLY C C 175.5 0.05 1 709 156 164 GLY CA C 44.76 0.05 1 710 156 164 GLY N N 116.4 0.05 1 711 157 165 ALA H H 8.885 0.05 1 712 157 165 ALA C C 178.4 0.05 1 713 157 165 ALA CA C 55.43 0.05 1 714 157 165 ALA CB C 17.84 0.05 1 715 157 165 ALA N N 126.9 0.05 1 716 158 166 LYS H H 8.505 0.05 1 717 158 166 LYS C C 175.6 0.05 1 718 158 166 LYS CA C 53.46 0.05 1 719 158 166 LYS CB C 31.15 0.05 1 720 158 166 LYS N N 114.4 0.05 1 721 159 167 GLU H H 6.847 0.05 1 722 159 167 GLU C C 174.7 0.05 1 723 159 167 GLU CA C 52.84 0.05 1 724 159 167 GLU CB C 31.11 0.05 1 725 159 167 GLU N N 125.5 0.05 1 726 160 168 PRO C C 176.8 0.05 1 727 160 168 PRO CA C 62.62 0.05 1 728 160 168 PRO CB C 31.04 0.05 1 729 161 169 TYR H H 8.584 0.05 1 730 161 169 TYR C C 174.1 0.05 1 731 161 169 TYR CA C 58.39 0.05 1 732 161 169 TYR CB C 38.52 0.05 1 733 161 169 TYR N N 126.2 0.05 1 734 162 170 PRO C C 178.9 0.05 1 735 162 170 PRO CA C 65.86 0.05 1 736 162 170 PRO CB C 30.26 0.05 1 737 163 171 GLU H H 6.842 0.05 1 738 163 171 GLU C C 179.1 0.05 1 739 163 171 GLU CA C 58.50 0.05 1 740 163 171 GLU CB C 28.73 0.05 1 741 163 171 GLU N N 115.7 0.05 1 742 164 172 PHE H H 7.381 0.05 1 743 164 172 PHE C C 175.7 0.05 1 744 164 172 PHE CA C 58.89 0.05 1 745 164 172 PHE CB C 37.77 0.05 1 746 164 172 PHE N N 123.6 0.05 1 747 165 173 VAL H H 8.072 0.05 1 748 165 173 VAL C C 177.2 0.05 1 749 165 173 VAL CA C 66.48 0.05 1 750 165 173 VAL CB C 30.36 0.05 1 751 165 173 VAL N N 120.0 0.05 1 752 166 174 ASP H H 7.393 0.05 1 753 166 174 ASP C C 179.1 0.05 1 754 166 174 ASP CA C 57.44 0.05 1 755 166 174 ASP CB C 40.41 0.05 1 756 166 174 ASP N N 118.1 0.05 1 757 167 175 ARG H H 7.550 0.05 1 758 167 175 ARG C C 179.5 0.05 1 759 167 175 ARG CA C 59.24 0.05 1 760 167 175 ARG CB C 29.27 0.05 1 761 167 175 ARG N N 120.3 0.05 1 762 168 176 LEU H H 8.365 0.05 1 763 168 176 LEU C C 178.4 0.05 1 764 168 176 LEU CA C 52.12 0.05 1 765 168 176 LEU CB C 40.72 0.05 1 766 168 176 LEU N N 123.6 0.05 1 767 169 177 LEU H H 8.978 0.05 1 768 169 177 LEU C C 180.5 0.05 1 769 169 177 LEU CA C 58.13 0.05 1 770 169 177 LEU CB C 39.26 0.05 1 771 169 177 LEU N N 119.8 0.05 1 772 170 178 SER H H 7.877 0.05 1 773 170 178 SER C C 177.1 0.05 1 774 170 178 SER CA C 61.51 0.05 1 775 170 178 SER CB C 62.46 0.05 1 776 170 178 SER N N 114.8 0.05 1 777 171 179 GLN H H 7.458 0.05 1 778 171 179 GLN C C 178.9 0.05 1 779 171 179 GLN CA C 57.56 0.05 1 780 171 179 GLN CB C 26.56 0.05 1 781 171 179 GLN N N 122.7 0.05 1 782 172 180 ILE H H 8.680 0.05 1 783 172 180 ILE C C 179.8 0.05 1 784 172 180 ILE CA C 66.29 0.05 1 785 172 180 ILE CB C 37.85 0.05 1 786 172 180 ILE N N 120.9 0.05 1 787 173 181 LYS H H 8.338 0.05 1 788 173 181 LYS C C 179.3 0.05 1 789 173 181 LYS CA C 59.35 0.05 1 790 173 181 LYS CB C 31.20 0.05 1 791 173 181 LYS N N 121.0 0.05 1 792 174 182 SER H H 7.725 0.05 1 793 174 182 SER C C 175.2 0.05 1 794 174 182 SER CA C 60.32 0.05 1 795 174 182 SER CB C 62.67 0.05 1 796 174 182 SER N N 115.7 0.05 1 797 175 183 GLU H H 7.282 0.05 1 798 175 183 GLU C C 178.0 0.05 1 799 175 183 GLU CA C 56.74 0.05 1 800 175 183 GLU CB C 29.71 0.05 1 801 175 183 GLU N N 120.4 0.05 1 802 176 184 GLY H H 7.325 0.05 1 803 176 184 GLY C C 175.0 0.05 1 804 176 184 GLY CA C 47.24 0.05 1 805 176 184 GLY N N 107.0 0.05 1 806 177 185 HIS H H 8.669 0.05 1 807 177 185 HIS C C 174.0 0.05 1 808 177 185 HIS CA C 54.19 0.05 1 809 177 185 HIS CB C 28.84 0.05 1 810 177 185 HIS N N 119.3 0.05 1 811 178 186 PRO C C 177.9 0.05 1 812 178 186 PRO CA C 62.39 0.05 1 813 178 186 PRO CB C 31.75 0.05 1 814 179 187 GLN H H 8.975 0.05 1 815 179 187 GLN C C 177.7 0.05 1 816 179 187 GLN CA C 59.39 0.05 1 817 179 187 GLN CB C 27.67 0.05 1 818 179 187 GLN N N 124.6 0.05 1 819 180 188 GLU H H 9.646 0.05 1 820 180 188 GLU C C 179.4 0.05 1 821 180 188 GLU CA C 59.47 0.05 1 822 180 188 GLU CB C 27.66 0.05 1 823 180 188 GLU N N 118.7 0.05 1 824 181 189 ILE H H 7.112 0.05 1 825 181 189 ILE C C 177.5 0.05 1 826 181 189 ILE CA C 62.18 0.05 1 827 181 189 ILE CB C 36.70 0.05 1 828 181 189 ILE N N 121.1 0.05 1 829 182 190 SER H H 8.466 0.05 1 830 182 190 SER C C 177.8 0.05 1 831 182 190 SER CA C 56.00 0.05 1 832 182 190 SER N N 117.4 0.05 1 833 183 191 LYS H H 8.290 0.05 1 834 183 191 LYS C C 176.8 0.05 1 835 183 191 LYS CA C 59.44 0.05 1 836 183 191 LYS CB C 31.19 0.05 1 837 183 191 LYS N N 124.4 0.05 1 838 184 192 PHE H H 7.341 0.05 1 839 184 192 PHE C C 179.3 0.05 1 840 184 192 PHE CA C 60.99 0.05 1 841 184 192 PHE CB C 38.54 0.05 1 842 184 192 PHE N N 120.6 0.05 1 843 185 193 LEU H H 8.779 0.05 1 844 185 193 LEU C C 178.0 0.05 1 845 185 193 LEU CA C 57.22 0.05 1 846 185 193 LEU CB C 41.63 0.05 1 847 185 193 LEU N N 120.9 0.05 1 848 186 194 THR H H 8.058 0.05 1 849 186 194 THR C C 176.0 0.05 1 850 186 194 THR CA C 67.30 0.05 1 851 186 194 THR CB C 67.94 0.05 1 852 186 194 THR N N 117.2 0.05 1 853 187 195 ASP H H 8.762 0.05 1 854 187 195 ASP C C 176.4 0.05 1 855 187 195 ASP CA C 57.13 0.05 1 856 187 195 ASP CB C 39.23 0.05 1 857 187 195 ASP N N 123.6 0.05 1 858 188 196 THR H H 7.483 0.05 1 859 188 196 THR C C 178.8 0.05 1 860 188 196 THR CA C 64.12 0.05 1 861 188 196 THR CB C 69.15 0.05 1 862 188 196 THR N N 106.0 0.05 1 863 189 197 LEU H H 8.609 0.05 1 864 189 197 LEU C C 178.9 0.05 1 865 189 197 LEU CA C 58.29 0.05 1 866 189 197 LEU CB C 40.42 0.05 1 867 189 197 LEU N N 122.7 0.05 1 868 190 198 THR H H 7.148 0.05 1 869 190 198 THR C C 175.9 0.05 1 870 190 198 THR CA C 63.82 0.05 1 871 190 198 THR CB C 68.50 0.05 1 872 190 198 THR N N 106.0 0.05 1 873 191 199 ILE H H 6.730 0.05 1 874 191 199 ILE C C 176.5 0.05 1 875 191 199 ILE CA C 63.30 0.05 1 876 191 199 ILE CB C 38.70 0.05 1 877 191 199 ILE N N 118.0 0.05 1 878 192 200 GLN H H 8.290 0.05 1 879 192 200 GLN C C 176.9 0.05 1 880 192 200 GLN CA C 58.54 0.05 1 881 192 200 GLN CB C 28.98 0.05 1 882 192 200 GLN N N 115.4 0.05 1 883 193 201 ASN H H 7.943 0.05 1 884 193 201 ASN C C 174.8 0.05 1 885 193 201 ASN CA C 52.06 0.05 1 886 193 201 ASN CB C 35.92 0.05 1 887 193 201 ASN N N 115.4 0.05 1 888 194 202 ALA H H 7.013 0.05 1 889 194 202 ALA C C 176.1 0.05 1 890 194 202 ALA CA C 51.00 0.05 1 891 194 202 ALA CB C 18.56 0.05 1 892 194 202 ALA N N 124.3 0.05 1 893 195 203 ASN H H 8.983 0.05 1 894 195 203 ASN C C 174.7 0.05 1 895 195 203 ASN CA C 51.13 0.05 1 896 195 203 ASN CB C 36.62 0.05 1 897 195 203 ASN N N 119.6 0.05 1 898 196 204 GLU H H 8.319 0.05 1 899 196 204 GLU C C 178.7 0.05 1 900 196 204 GLU CA C 60.14 0.05 1 901 196 204 GLU CB C 29.02 0.05 1 902 196 204 GLU N N 118.6 0.05 1 903 197 205 GLU H H 8.202 0.05 1 904 197 205 GLU C C 180.6 0.05 1 905 197 205 GLU CA C 59.59 0.05 1 906 197 205 GLU CB C 29.01 0.05 1 907 197 205 GLU N N 119.3 0.05 1 908 198 206 CYS H H 8.745 0.05 1 909 198 206 CYS C C 176.5 0.05 1 910 198 206 CYS CA C 63.91 0.05 1 911 198 206 CYS CB C 27.47 0.05 1 912 198 206 CYS N N 120.4 0.05 1 913 199 207 ARG H H 9.054 0.05 1 914 199 207 ARG C C 180.5 0.05 1 915 199 207 ARG CA C 61.15 0.05 1 916 199 207 ARG CB C 28.74 0.05 1 917 199 207 ARG N N 121.1 0.05 1 918 200 208 ASN H H 7.976 0.05 1 919 200 208 ASN C C 178.4 0.05 1 920 200 208 ASN CA C 56.06 0.05 1 921 200 208 ASN CB C 37.65 0.05 1 922 200 208 ASN N N 117.5 0.05 1 923 201 209 ALA H H 7.691 0.05 1 924 201 209 ALA C C 178.7 0.05 1 925 201 209 ALA CA C 54.18 0.05 1 926 201 209 ALA CB C 17.49 0.05 1 927 201 209 ALA N N 124.3 0.05 1 928 202 210 MET H H 7.282 0.05 1 929 202 210 MET C C 176.8 0.05 1 930 202 210 MET CA C 55.52 0.05 1 931 202 210 MET CB C 33.20 0.05 1 932 202 210 MET N N 114.6 0.05 1 933 203 211 ARG H H 7.071 0.05 1 934 203 211 ARG C C 176.2 0.05 1 935 203 211 ARG CA C 58.49 0.05 1 936 203 211 ARG CB C 28.69 0.05 1 937 203 211 ARG N N 119.3 0.05 1 938 204 212 HIS H H 8.762 0.05 1 939 204 212 HIS C C 174.8 0.05 1 940 204 212 HIS CA C 55.30 0.05 1 941 204 212 HIS CB C 28.60 0.05 1 942 204 212 HIS N N 116.7 0.05 1 943 205 213 LEU H H 7.753 0.05 1 944 205 213 LEU C C 175.7 0.05 1 945 205 213 LEU CA C 53.07 0.05 1 946 205 213 LEU CB C 42.21 0.05 1 947 205 213 LEU N N 122.2 0.05 1 948 206 214 ARG H H 9.347 0.05 1 949 206 214 ARG C C 175.4 0.05 1 950 206 214 ARG CA C 52.36 0.05 1 951 206 214 ARG CB C 29.47 0.05 1 952 206 214 ARG N N 121.4 0.05 1 953 207 215 PRO C C 177.1 0.05 1 954 207 215 PRO CA C 65.57 0.05 1 955 207 215 PRO CB C 30.68 0.05 1 956 208 216 GLU H H 8.686 0.05 1 957 208 216 GLU C C 177.8 0.05 1 958 208 216 GLU CA C 57.16 0.05 1 959 208 216 GLU CB C 27.59 0.05 1 960 208 216 GLU N N 110.9 0.05 1 961 209 217 ASP H H 7.646 0.05 1 962 209 217 ASP C C 175.6 0.05 1 963 209 217 ASP CA C 55.85 0.05 1 964 209 217 ASP CB C 40.44 0.05 1 965 209 217 ASP N N 122.5 0.05 1 966 210 218 THR H H 8.352 0.05 1 967 210 218 THR C C 175.9 0.05 1 968 210 218 THR CA C 61.60 0.05 1 969 210 218 THR CB C 70.62 0.05 1 970 210 218 THR N N 109.9 0.05 1 971 211 219 LEU H H 8.642 0.05 1 972 211 219 LEU C C 179.4 0.05 1 973 211 219 LEU CA C 57.27 0.05 1 974 211 219 LEU CB C 40.59 0.05 1 975 211 219 LEU N N 122.0 0.05 1 976 212 220 GLU H H 8.643 0.05 1 977 212 220 GLU C C 179.6 0.05 1 978 212 220 GLU CA C 60.21 0.05 1 979 212 220 GLU CB C 28.09 0.05 1 980 212 220 GLU N N 118.0 0.05 1 981 213 221 GLU H H 7.847 0.05 1 982 213 221 GLU C C 179.8 0.05 1 983 213 221 GLU CA C 59.26 0.05 1 984 213 221 GLU CB C 28.83 0.05 1 985 213 221 GLU N N 121.7 0.05 1 986 214 222 LYS H H 7.872 0.05 1 987 214 222 LYS C C 177.6 0.05 1 988 214 222 LYS CA C 59.98 0.05 1 989 214 222 LYS CB C 31.53 0.05 1 990 214 222 LYS N N 123.5 0.05 1 991 215 223 MET H H 8.811 0.05 1 992 215 223 MET C C 179.9 0.05 1 993 215 223 MET CA C 58.94 0.05 1 994 215 223 MET CB C 31.70 0.05 1 995 215 223 MET N N 116.4 0.05 1 996 216 224 TYR H H 8.284 0.05 1 997 216 224 TYR C C 179.2 0.05 1 998 216 224 TYR CA C 61.21 0.05 1 999 216 224 TYR CB C 37.34 0.05 1 1000 216 224 TYR N N 121.1 0.05 1 1001 217 225 ALA H H 7.979 0.05 1 1002 217 225 ALA C C 179.5 0.05 1 1003 217 225 ALA CA C 54.33 0.05 1 1004 217 225 ALA CB C 17.36 0.05 1 1005 217 225 ALA N N 122.3 0.05 1 1006 218 226 CYS H H 6.959 0.05 1 1007 218 226 CYS C C 176.1 0.05 1 1008 218 226 CYS CA C 58.93 0.05 1 1009 218 226 CYS CB C 27.64 0.05 1 1010 218 226 CYS N N 113.0 0.05 1 1011 219 227 ARG H H 7.213 0.05 1 1012 219 227 ARG C C 176.1 0.05 1 1013 219 227 ARG CA C 58.39 0.05 1 1014 219 227 ARG CB C 28.55 0.05 1 1015 219 227 ARG N N 122.2 0.05 1 1016 220 228 ASP H H 8.451 0.05 1 1017 220 228 ASP C C 176.2 0.05 1 1018 220 228 ASP CA C 54.10 0.05 1 1019 220 228 ASP CB C 40.19 0.05 1 1020 220 228 ASP N N 119.0 0.05 1 1021 221 229 ILE H H 7.450 0.05 1 1022 221 229 ILE C C 177.4 0.05 1 1023 221 229 ILE CA C 60.93 0.05 1 1024 221 229 ILE CB C 35.71 0.05 1 1025 221 229 ILE N N 122.6 0.05 1 1026 222 230 GLY H H 8.766 0.05 1 1027 222 230 GLY C C 174.5 0.05 1 1028 222 230 GLY CA C 45.04 0.05 1 1029 222 230 GLY N N 116.1 0.05 1 1030 223 231 THR H H 7.717 0.05 1 1031 223 231 THR C C 175.0 0.05 1 1032 223 231 THR CA C 61.27 0.05 1 1033 223 231 THR CB C 69.58 0.05 1 1034 223 231 THR N N 113.0 0.05 1 1035 224 232 THR H H 8.176 0.05 1 1036 224 232 THR C C 174.6 0.05 1 1037 224 232 THR CA C 61.79 0.05 1 1038 224 232 THR CB C 69.23 0.05 1 1039 224 232 THR N N 117.1 0.05 1 1040 225 233 LYS H H 8.264 0.05 1 1041 225 233 LYS C C 176.5 0.05 1 1042 225 233 LYS CA C 55.93 0.05 1 1043 225 233 LYS CB C 31.93 0.05 1 1044 225 233 LYS N N 124.6 0.05 1 1045 226 234 GLN H H 8.234 0.05 1 1046 226 234 GLN C C 175.8 0.05 1 1047 226 234 GLN CA C 55.54 0.05 1 1048 226 234 GLN CB C 28.72 0.05 1 1049 226 234 GLN N N 122.3 0.05 1 1050 227 235 LYS H H 8.272 0.05 1 1051 227 235 LYS C C 176.3 0.05 1 1052 227 235 LYS CA C 55.94 0.05 1 1053 227 235 LYS CB C 32.13 0.05 1 1054 227 235 LYS N N 123.8 0.05 1 1055 228 236 MET H H 8.344 0.05 1 1056 228 236 MET C C 175.3 0.05 1 1057 228 236 MET CA C 55.04 0.05 1 1058 228 236 MET CB C 31.99 0.05 1 1059 228 236 MET N N 123.2 0.05 1 1060 229 237 MET H H 7.850 0.05 1 1061 229 237 MET C C 180.7 0.05 1 1062 229 237 MET CA C 56.55 0.05 1 1063 229 237 MET CB C 32.90 0.05 1 1064 229 237 MET N N 127.2 0.05 1 stop_ save_