data_26549 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N assignment of the intrinsically disordered region of HCV protein NS5A (191-447) ; _BMRB_accession_number 26549 _BMRB_flat_file_name bmr26549.str _Entry_type original _Submission_date 2015-03-30 _Accession_date 2015-03-30 _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 Solyom Zsofia . . 2 Schwarten Melanie . . 3 Willbold Dieter . . 4 Brutscher Bernhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 433 "13C chemical shifts" 689 "15N chemical shifts" 235 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-13 update BMRB 'update entry citation' 2015-04-27 original author 'original release' stop_ _Original_release_date 2015-04-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational properties of the disordered region of the NS5A protein from hepatitis C virus and their modulation by SH3 binding and phosphorylation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 6445449 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Solyom Zsofia . . 2 Ma Peixiang . . 3 Schwarten Melanie . . 4 Durand Gregory . . 5 Willbold Dieter . . 6 Brutscher Bernhard . . stop_ _Journal_abbreviation 'Biophys J.' _Journal_volume 109 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1483 _Page_last 1496 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NS5A D2D3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NS5A D2D3' $NS5A(191-447) stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NS5A(191-447) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NS5A(191-447) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 268 _Mol_residue_sequence ; GHMASGSLRGGEPEPDVTVL TSMLTDPSHITAETAKRRLA RGSPPSLASSSASQLSAPSL KATCTTHHDSPDADLIEANL LWRQEMGGNITRVESENKVV ILDSFEPLHADGDEREISVA AEILRKSRKFPSALPIWARP DYNPPLLESWKDPDYVPPVV HGCPLPPTKAPPIPPPRRKR TVVLTESNVSSALAELATKT FGSSGSSAVDSGTATALPDQ ASDDGDKGSDVESYSSMPPL EGEPGDPDLSDGSWSTVSEE ASEDVVCC ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 ALA 5 SER 6 GLY 7 SER 8 LEU 9 ARG 10 GLY 11 GLY 12 GLU 13 PRO 14 GLU 15 PRO 16 ASP 17 VAL 18 THR 19 VAL 20 LEU 21 THR 22 SER 23 MET 24 LEU 25 THR 26 ASP 27 PRO 28 SER 29 HIS 30 ILE 31 THR 32 ALA 33 GLU 34 THR 35 ALA 36 LYS 37 ARG 38 ARG 39 LEU 40 ALA 41 ARG 42 GLY 43 SER 44 PRO 45 PRO 46 SER 47 LEU 48 ALA 49 SER 50 SER 51 SER 52 ALA 53 SER 54 GLN 55 LEU 56 SER 57 ALA 58 PRO 59 SER 60 LEU 61 LYS 62 ALA 63 THR 64 CYS 65 THR 66 THR 67 HIS 68 HIS 69 ASP 70 SER 71 PRO 72 ASP 73 ALA 74 ASP 75 LEU 76 ILE 77 GLU 78 ALA 79 ASN 80 LEU 81 LEU 82 TRP 83 ARG 84 GLN 85 GLU 86 MET 87 GLY 88 GLY 89 ASN 90 ILE 91 THR 92 ARG 93 VAL 94 GLU 95 SER 96 GLU 97 ASN 98 LYS 99 VAL 100 VAL 101 ILE 102 LEU 103 ASP 104 SER 105 PHE 106 GLU 107 PRO 108 LEU 109 HIS 110 ALA 111 ASP 112 GLY 113 ASP 114 GLU 115 ARG 116 GLU 117 ILE 118 SER 119 VAL 120 ALA 121 ALA 122 GLU 123 ILE 124 LEU 125 ARG 126 LYS 127 SER 128 ARG 129 LYS 130 PHE 131 PRO 132 SER 133 ALA 134 LEU 135 PRO 136 ILE 137 TRP 138 ALA 139 ARG 140 PRO 141 ASP 142 TYR 143 ASN 144 PRO 145 PRO 146 LEU 147 LEU 148 GLU 149 SER 150 TRP 151 LYS 152 ASP 153 PRO 154 ASP 155 TYR 156 VAL 157 PRO 158 PRO 159 VAL 160 VAL 161 HIS 162 GLY 163 CYS 164 PRO 165 LEU 166 PRO 167 PRO 168 THR 169 LYS 170 ALA 171 PRO 172 PRO 173 ILE 174 PRO 175 PRO 176 PRO 177 ARG 178 ARG 179 LYS 180 ARG 181 THR 182 VAL 183 VAL 184 LEU 185 THR 186 GLU 187 SER 188 ASN 189 VAL 190 SER 191 SER 192 ALA 193 LEU 194 ALA 195 GLU 196 LEU 197 ALA 198 THR 199 LYS 200 THR 201 PHE 202 GLY 203 SER 204 SER 205 GLY 206 SER 207 SER 208 ALA 209 VAL 210 ASP 211 SER 212 GLY 213 THR 214 ALA 215 THR 216 ALA 217 LEU 218 PRO 219 ASP 220 GLN 221 ALA 222 SER 223 ASP 224 ASP 225 GLY 226 ASP 227 LYS 228 GLY 229 SER 230 ASP 231 VAL 232 GLU 233 SER 234 TYR 235 SER 236 SER 237 MET 238 PRO 239 PRO 240 LEU 241 GLU 242 GLY 243 GLU 244 PRO 245 GLY 246 ASP 247 PRO 248 ASP 249 LEU 250 SER 251 ASP 252 GLY 253 SER 254 TRP 255 SER 256 THR 257 VAL 258 SER 259 GLU 260 GLU 261 ALA 262 SER 263 GLU 264 ASP 265 VAL 266 VAL 267 CYS 268 CYS 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 _Strain _Variant $NS5A(191-447) 'hepatitis C virus' 11103 Viruses . Hepacivirus 'hepatitis C virus' HC-J4 'genotype 1b' 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 $NS5A(191-447) 'recombinant technology' . Escherichia coli . pET-TEV 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 $NS5A(191-447) 120 uM '[U-100% 13C; U-100% 15N]' D2O 10 % '[U-100% 2H]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' TCEP 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_BEST-TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N BEST-TROSY' _Sample_label $sample_1 save_ save_3D_BT-HNCOCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BT-HNCOCACB' _Sample_label $sample_1 save_ save_3D_BT-iHNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BT-iHNCACB' _Sample_label $sample_1 save_ save_3D_BT-hNcocaNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BT-hNcocaNH' _Sample_label $sample_1 save_ save_3D_BT-hnCOcaNH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BT-hnCOcaNH' _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' 0.32 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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 BEST-TROSY' '3D BT-HNCOCACB' '3D BT-iHNCACB' '3D BT-hNcocaNH' '3D BT-hnCOcaNH' 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 'NS5A D2D3' _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 3 3 MET HA H 4.429 0.000 1 2 3 3 MET C C 175.742 0.000 1 3 3 3 MET CA C 55.306 0.000 1 4 4 4 ALA H H 8.427 0.002 1 5 4 4 ALA HA H 4.320 0.000 1 6 4 4 ALA C C 177.770 0.000 1 7 4 4 ALA CA C 52.553 0.012 1 8 4 4 ALA N N 126.755 0.015 1 9 5 5 SER H H 8.302 0.001 1 10 5 5 SER HA H 4.395 0.000 1 11 5 5 SER C C 175.224 0.000 1 12 5 5 SER CA C 58.563 0.017 1 13 5 5 SER N N 116.063 0.024 1 14 6 6 GLY H H 8.406 0.003 1 15 6 6 GLY C C 174.267 0.000 1 16 6 6 GLY CA C 45.429 0.001 1 17 6 6 GLY N N 111.582 0.022 1 18 7 7 SER H H 8.134 0.001 1 19 7 7 SER HA H 4.423 0.000 1 20 7 7 SER C C 174.611 0.000 1 21 7 7 SER CA C 58.398 0.004 1 22 7 7 SER CB C 63.908 0.008 1 23 7 7 SER N N 116.182 0.014 1 24 8 8 LEU H H 8.255 0.002 1 25 8 8 LEU HA H 4.348 0.000 1 26 8 8 LEU C C 177.466 0.000 1 27 8 8 LEU CA C 55.351 0.003 1 28 8 8 LEU CB C 42.193 0.000 1 29 8 8 LEU N N 124.629 0.019 1 30 9 9 ARG H H 8.341 0.002 1 31 9 9 ARG HA H 4.312 0.000 1 32 9 9 ARG C C 176.826 0.000 1 33 9 9 ARG CA C 56.161 0.004 1 34 9 9 ARG CB C 30.647 0.000 1 35 9 9 ARG N N 122.258 0.012 1 36 10 10 GLY H H 8.383 0.002 1 37 10 10 GLY C C 174.566 0.000 1 38 10 10 GLY CA C 45.422 0.018 1 39 10 10 GLY N N 110.932 0.018 1 40 11 11 GLY H H 8.217 0.001 1 41 11 11 GLY C C 173.921 0.000 1 42 11 11 GLY CA C 45.003 0.000 1 43 11 11 GLY N N 109.414 0.018 1 44 12 12 GLU H H 8.189 0.001 1 45 12 12 GLU CA C 54.435 0.000 1 46 12 12 GLU CB C 29.540 0.000 1 47 12 12 GLU N N 122.293 0.019 1 48 13 13 PRO C C 176.653 0.000 1 49 13 13 PRO CA C 62.871 0.000 1 50 14 14 GLU H H 8.432 0.002 1 51 14 14 GLU CA C 54.397 0.000 1 52 14 14 GLU N N 123.256 0.021 1 53 15 15 PRO HA H 4.358 0.000 1 54 15 15 PRO C C 176.424 0.000 1 55 15 15 PRO CA C 63.138 0.000 1 56 16 16 ASP H H 8.352 0.001 1 57 16 16 ASP HA H 4.588 0.000 1 58 16 16 ASP C C 176.642 0.000 1 59 16 16 ASP CA C 54.170 0.006 1 60 16 16 ASP CB C 41.158 0.000 1 61 16 16 ASP N N 121.236 0.014 1 62 17 17 VAL H H 8.088 0.002 1 63 17 17 VAL HA H 4.139 0.000 1 64 17 17 VAL C C 176.606 0.000 1 65 17 17 VAL CA C 62.632 0.000 1 66 17 17 VAL CB C 32.412 0.000 1 67 17 17 VAL N N 120.916 0.016 1 68 18 18 THR H H 8.275 0.002 1 69 18 18 THR HA H 4.244 0.000 1 70 18 18 THR C C 174.933 0.000 1 71 18 18 THR CA C 62.840 0.042 1 72 18 18 THR CB C 69.636 0.000 1 73 18 18 THR N N 118.526 0.009 1 74 19 19 VAL H H 7.949 0.002 1 75 19 19 VAL HA H 4.055 0.000 1 76 19 19 VAL C C 176.346 0.000 1 77 19 19 VAL CA C 62.792 0.057 1 78 19 19 VAL CB C 32.484 0.000 1 79 19 19 VAL N N 123.312 0.014 1 80 20 20 LEU H H 8.166 0.001 1 81 20 20 LEU HA H 4.368 0.000 1 82 20 20 LEU C C 177.887 0.000 1 83 20 20 LEU CA C 55.543 0.013 1 84 20 20 LEU CB C 42.247 0.000 1 85 20 20 LEU N N 125.639 0.017 1 86 21 21 THR H H 8.021 0.002 1 87 21 21 THR HA H 4.249 0.000 1 88 21 21 THR C C 175.001 0.000 1 89 21 21 THR CA C 62.559 0.012 1 90 21 21 THR CB C 69.585 0.000 1 91 21 21 THR N N 114.747 0.012 1 92 22 22 SER H H 8.115 0.002 1 93 22 22 SER HA H 4.399 0.000 1 94 22 22 SER C C 174.685 0.000 1 95 22 22 SER CA C 58.803 0.013 1 96 22 22 SER CB C 63.598 0.000 1 97 22 22 SER N N 118.045 0.016 1 98 23 23 MET H H 8.185 0.002 1 99 23 23 MET HA H 4.438 0.000 1 100 23 23 MET C C 176.244 0.000 1 101 23 23 MET CA C 55.933 0.019 1 102 23 23 MET CB C 32.757 0.000 1 103 23 23 MET N N 122.220 0.015 1 104 24 24 LEU H H 8.028 0.002 1 105 24 24 LEU HA H 4.323 0.000 1 106 24 24 LEU C C 177.430 0.000 1 107 24 24 LEU CA C 55.442 0.001 1 108 24 24 LEU CB C 42.236 0.000 1 109 24 24 LEU N N 122.480 0.025 1 110 25 25 THR H H 7.886 0.003 1 111 25 25 THR HA H 4.271 0.000 1 112 25 25 THR C C 173.905 0.000 1 113 25 25 THR CA C 61.688 0.008 1 114 25 25 THR CB C 69.817 0.000 1 115 25 25 THR N N 113.904 0.016 1 116 26 26 ASP H H 8.126 0.002 1 117 26 26 ASP CA C 52.061 0.000 1 118 26 26 ASP CB C 41.584 0.000 1 119 26 26 ASP N N 124.507 0.017 1 120 27 27 PRO HA H 4.390 0.000 1 121 27 27 PRO C C 177.564 0.000 1 122 27 27 PRO CA C 64.080 0.000 1 123 28 28 SER H H 8.417 0.003 1 124 28 28 SER C C 175.941 0.000 1 125 28 28 SER CA C 59.644 0.000 1 126 28 28 SER CB C 63.460 0.000 1 127 28 28 SER N N 115.265 0.020 1 128 29 29 HIS H H 7.987 0.002 1 129 29 29 HIS HA H 4.628 0.000 1 130 29 29 HIS C C 175.092 0.000 1 131 29 29 HIS CA C 56.426 0.000 1 132 29 29 HIS N N 121.273 0.013 1 133 30 30 ILE H H 7.867 0.002 1 134 30 30 ILE HA H 4.112 0.000 1 135 30 30 ILE C C 176.792 0.000 1 136 30 30 ILE CA C 61.769 0.012 1 137 30 30 ILE CB C 38.398 0.000 1 138 30 30 ILE N N 122.269 0.014 1 139 31 31 THR H H 8.150 0.002 1 140 31 31 THR HA H 4.267 0.000 1 141 31 31 THR C C 174.932 0.000 1 142 31 31 THR CA C 62.398 0.001 1 143 31 31 THR CB C 69.888 0.000 1 144 31 31 THR N N 118.514 0.011 1 145 32 32 ALA H H 8.289 0.002 1 146 32 32 ALA HA H 4.230 0.000 1 147 32 32 ALA C C 178.846 0.000 1 148 32 32 ALA CA C 53.633 0.029 1 149 32 32 ALA CB C 18.905 0.000 1 150 32 32 ALA N N 126.238 0.020 1 151 33 33 GLU H H 8.328 0.002 1 152 33 33 GLU HA H 4.170 0.000 1 153 33 33 GLU C C 177.863 0.000 1 154 33 33 GLU CA C 57.867 0.001 1 155 33 33 GLU CB C 29.867 0.000 1 156 33 33 GLU N N 119.871 0.012 1 157 34 34 THR H H 7.992 0.002 1 158 34 34 THR HA H 4.076 0.000 1 159 34 34 THR C C 175.460 0.000 1 160 34 34 THR CA C 63.853 0.006 1 161 34 34 THR CB C 69.177 0.000 1 162 34 34 THR N N 115.723 0.017 1 163 35 35 ALA H H 8.087 0.003 1 164 35 35 ALA HA H 4.155 0.000 1 165 35 35 ALA C C 178.685 0.000 1 166 35 35 ALA CA C 53.833 0.007 1 167 35 35 ALA CB C 18.637 0.000 1 168 35 35 ALA N N 125.567 0.027 1 169 36 36 LYS H H 7.932 0.002 1 170 36 36 LYS HA H 4.128 0.000 1 171 36 36 LYS C C 177.617 0.000 1 172 36 36 LYS CA C 57.561 0.012 1 173 36 36 LYS CB C 32.750 0.000 1 174 36 36 LYS N N 119.379 0.017 1 175 37 37 ARG H H 7.964 0.003 1 176 37 37 ARG HA H 4.205 0.000 1 177 37 37 ARG C C 176.961 0.000 1 178 37 37 ARG CA C 57.065 0.005 1 179 37 37 ARG CB C 30.555 0.000 1 180 37 37 ARG N N 121.096 0.025 1 181 38 38 ARG H H 8.098 0.003 1 182 38 38 ARG HA H 4.214 0.000 1 183 38 38 ARG C C 176.802 0.000 1 184 38 38 ARG CA C 56.950 0.001 1 185 38 38 ARG CB C 30.516 0.000 1 186 38 38 ARG N N 121.663 0.035 1 187 39 39 LEU H H 8.027 0.004 1 188 39 39 LEU HA H 4.272 0.000 1 189 39 39 LEU C C 177.352 0.000 1 190 39 39 LEU CA C 55.357 0.017 1 191 39 39 LEU CB C 42.357 0.000 1 192 39 39 LEU N N 122.934 0.023 1 193 40 40 ALA H H 8.045 0.005 1 194 40 40 ALA HA H 4.267 0.000 1 195 40 40 ALA C C 177.787 0.000 1 196 40 40 ALA CA C 52.643 0.003 1 197 40 40 ALA CB C 19.129 0.000 1 198 40 40 ALA N N 124.804 0.027 1 199 41 41 ARG H H 8.138 0.004 1 200 41 41 ARG HA H 4.282 0.000 1 201 41 41 ARG C C 176.860 0.000 1 202 41 41 ARG CA C 56.343 0.021 1 203 41 41 ARG CB C 30.792 0.000 1 204 41 41 ARG N N 120.505 0.016 1 205 42 42 GLY H H 8.275 0.002 1 206 42 42 GLY C C 173.757 0.000 1 207 42 42 GLY CA C 45.056 0.010 1 208 42 42 GLY N N 110.281 0.020 1 209 43 43 SER H H 8.129 0.001 1 210 43 43 SER CA C 56.614 0.000 1 211 43 43 SER CB C 63.224 0.000 1 212 43 43 SER N N 117.591 0.011 1 213 45 45 PRO HA H 4.400 0.000 1 214 45 45 PRO C C 176.909 0.000 1 215 45 45 PRO CA C 63.266 0.000 1 216 46 46 SER H H 8.270 0.004 1 217 46 46 SER HA H 4.383 0.000 1 218 46 46 SER C C 174.732 0.000 1 219 46 46 SER CA C 58.222 0.029 1 220 46 46 SER CB C 63.726 0.000 1 221 46 46 SER N N 116.154 0.018 1 222 47 47 LEU H H 8.196 0.001 1 223 47 47 LEU HA H 4.342 0.000 1 224 47 47 LEU C C 177.335 0.000 1 225 47 47 LEU CA C 55.291 0.024 1 226 47 47 LEU CB C 42.368 0.000 1 227 47 47 LEU N N 125.032 0.015 1 228 48 48 ALA H H 8.209 0.002 1 229 48 48 ALA HA H 4.286 0.000 1 230 48 48 ALA C C 177.944 0.000 1 231 48 48 ALA CA C 52.776 0.019 1 232 48 48 ALA CB C 19.116 0.000 1 233 48 48 ALA N N 125.190 0.011 1 234 49 49 SER H H 8.159 0.002 1 235 49 49 SER C C 174.888 0.000 1 236 49 49 SER CA C 58.424 0.008 1 237 49 49 SER CB C 63.759 0.000 1 238 49 49 SER N N 115.326 0.017 1 239 50 50 SER H H 8.278 0.004 1 240 50 50 SER C C 176.437 0.000 1 241 50 50 SER CA C 58.544 0.010 1 242 50 50 SER CB C 63.621 0.000 1 243 50 50 SER N N 118.371 0.012 1 244 51 51 SER H H 8.263 0.002 1 245 51 51 SER HA H 4.433 0.000 1 246 51 51 SER C C 174.608 0.000 1 247 51 51 SER CA C 58.670 0.011 1 248 51 51 SER N N 118.354 0.022 1 249 52 52 ALA H H 8.212 0.002 1 250 52 52 ALA HA H 4.305 0.000 1 251 52 52 ALA C C 178.107 0.000 1 252 52 52 ALA CA C 53.009 0.011 1 253 52 52 ALA CB C 19.093 0.000 1 254 52 52 ALA N N 126.267 0.020 1 255 53 53 SER H H 8.134 0.002 1 256 53 53 SER HA H 4.368 0.000 1 257 53 53 SER C C 174.786 0.000 1 258 53 53 SER CA C 58.733 0.001 1 259 53 53 SER CB C 63.653 0.000 1 260 53 53 SER N N 115.110 0.014 1 261 54 54 GLN H H 8.216 0.002 1 262 54 54 GLN C C 175.997 0.000 1 263 54 54 GLN CA C 56.000 0.003 1 264 54 54 GLN CB C 29.218 0.000 1 265 54 54 GLN N N 122.497 0.016 1 266 55 55 LEU H H 8.104 0.001 1 267 55 55 LEU HA H 4.332 0.000 1 268 55 55 LEU C C 177.355 0.000 1 269 55 55 LEU CA C 55.317 0.001 1 270 55 55 LEU CB C 42.348 0.000 1 271 55 55 LEU N N 123.173 0.011 1 272 56 56 SER H H 8.107 0.002 1 273 56 56 SER HA H 4.407 0.000 1 274 56 56 SER C C 173.698 0.000 1 275 56 56 SER CA C 58.056 0.014 1 276 56 56 SER CB C 63.872 0.000 1 277 56 56 SER N N 116.805 0.012 1 278 57 57 ALA H H 8.153 0.001 1 279 57 57 ALA CA C 50.805 0.000 1 280 57 57 ALA CB C 18.232 0.000 1 281 57 57 ALA N N 127.429 0.013 1 282 58 58 PRO HA H 4.390 0.000 1 283 58 58 PRO C C 177.049 0.000 1 284 58 58 PRO CA C 63.257 0.000 1 285 59 59 SER H H 8.260 0.003 1 286 59 59 SER HA H 4.389 0.000 1 287 59 59 SER C C 174.746 0.000 1 288 59 59 SER CA C 58.154 0.041 1 289 59 59 SER CB C 63.774 0.000 1 290 59 59 SER N N 116.101 0.040 1 291 60 60 LEU H H 8.231 0.005 1 292 60 60 LEU HA H 4.335 0.000 1 293 60 60 LEU C C 177.326 0.000 1 294 60 60 LEU CA C 55.228 0.000 1 295 60 60 LEU CB C 42.403 0.000 1 296 60 60 LEU N N 125.039 0.012 1 297 61 61 LYS H H 8.142 0.003 1 298 61 61 LYS HA H 4.260 0.000 1 299 61 61 LYS C C 176.297 0.000 1 300 61 61 LYS CA C 56.208 0.012 1 301 61 61 LYS CB C 33.036 0.000 1 302 61 61 LYS N N 122.536 0.033 1 303 62 62 ALA H H 8.221 0.002 1 304 62 62 ALA HA H 4.340 0.000 1 305 62 62 ALA C C 177.912 0.000 1 306 62 62 ALA CA C 52.571 0.007 1 307 62 62 ALA CB C 19.309 0.000 1 308 62 62 ALA N N 125.854 0.016 1 309 63 63 THR H H 8.093 0.001 1 310 63 63 THR C C 176.747 0.000 1 311 63 63 THR CA C 61.877 0.000 1 312 63 63 THR CB C 69.911 0.000 1 313 63 63 THR N N 113.846 0.017 1 314 64 64 CYS H H 8.346 0.001 1 315 64 64 CYS C C 174.811 0.000 1 316 64 64 CYS N N 122.107 0.000 1 317 65 65 THR H H 8.308 0.003 1 318 65 65 THR C C 174.568 0.000 1 319 65 65 THR N N 117.453 0.025 1 320 66 66 THR H H 8.069 0.005 1 321 66 66 THR N N 116.783 0.001 1 322 68 68 HIS H H 8.572 0.000 1 323 68 68 HIS C C 174.378 0.000 1 324 68 68 HIS CA C 55.811 0.000 1 325 68 68 HIS N N 122.316 0.000 1 326 69 69 ASP H H 8.446 0.004 1 327 69 69 ASP HA H 4.586 0.000 1 328 69 69 ASP C C 175.775 0.000 1 329 69 69 ASP CA C 54.382 0.021 1 330 69 69 ASP CB C 41.156 0.000 1 331 69 69 ASP N N 122.214 0.007 1 332 70 70 SER H H 8.162 0.002 1 333 70 70 SER CA C 56.228 0.000 1 334 70 70 SER CB C 63.668 0.000 1 335 70 70 SER N N 117.110 0.024 1 336 71 71 PRO HA H 4.416 0.000 1 337 71 71 PRO C C 176.787 0.000 1 338 71 71 PRO CA C 63.607 0.000 1 339 72 72 ASP H H 8.209 0.002 1 340 72 72 ASP HA H 4.512 0.000 1 341 72 72 ASP C C 176.392 0.000 1 342 72 72 ASP CA C 54.545 0.008 1 343 72 72 ASP CB C 40.999 0.000 1 344 72 72 ASP N N 120.205 0.009 1 345 73 73 ALA H H 8.036 0.002 1 346 73 73 ALA HA H 4.144 0.000 1 347 73 73 ALA C C 178.051 0.000 1 348 73 73 ALA CA C 53.550 0.006 1 349 73 73 ALA CB C 18.962 0.000 1 350 73 73 ALA N N 124.459 0.021 1 351 74 74 ASP H H 8.215 0.003 1 352 74 74 ASP HA H 4.502 0.000 1 353 74 74 ASP C C 176.780 0.000 1 354 74 74 ASP CA C 55.055 0.005 1 355 74 74 ASP CB C 40.818 0.000 1 356 74 74 ASP N N 118.851 0.011 1 357 75 75 LEU H H 7.855 0.003 1 358 75 75 LEU HA H 4.253 0.000 1 359 75 75 LEU C C 177.778 0.000 1 360 75 75 LEU CA C 55.815 0.003 1 361 75 75 LEU CB C 42.126 0.000 1 362 75 75 LEU N N 122.485 0.013 1 363 76 76 ILE H H 7.888 0.003 1 364 76 76 ILE HA H 3.978 0.000 1 365 76 76 ILE C C 177.155 0.000 1 366 76 76 ILE CA C 62.277 0.012 1 367 76 76 ILE CB C 38.383 0.000 1 368 76 76 ILE N N 121.820 0.008 1 369 77 77 GLU H H 8.265 0.003 1 370 77 77 GLU HA H 4.106 0.000 1 371 77 77 GLU C C 177.145 0.000 1 372 77 77 GLU CA C 57.704 0.007 1 373 77 77 GLU CB C 29.785 0.000 1 374 77 77 GLU N N 123.881 0.012 1 375 78 78 ALA H H 8.115 0.001 1 376 78 78 ALA HA H 4.150 0.000 1 377 78 78 ALA C C 178.352 0.000 1 378 78 78 ALA CA C 53.689 0.005 1 379 78 78 ALA CB C 18.894 0.000 1 380 78 78 ALA N N 123.790 0.015 1 381 79 79 ASN H H 8.140 0.003 1 382 79 79 ASN HA H 4.602 0.000 1 383 79 79 ASN C C 175.890 0.000 1 384 79 79 ASN CA C 54.105 0.005 1 385 79 79 ASN CB C 38.620 0.000 1 386 79 79 ASN N N 117.105 0.015 1 387 80 80 LEU H H 7.951 0.002 1 388 80 80 LEU HA H 4.199 0.000 1 389 80 80 LEU C C 178.082 0.000 1 390 80 80 LEU CA C 56.325 0.020 1 391 80 80 LEU CB C 42.179 0.000 1 392 80 80 LEU N N 122.091 0.017 1 393 81 81 LEU H H 7.942 0.003 1 394 81 81 LEU HA H 4.180 0.000 1 395 81 81 LEU C C 177.779 0.000 1 396 81 81 LEU CA C 56.203 0.013 1 397 81 81 LEU CB C 41.970 0.000 1 398 81 81 LEU N N 121.316 0.015 1 399 82 82 TRP H H 7.853 0.004 1 400 82 82 TRP C C 176.616 0.000 1 401 82 82 TRP CA C 58.122 0.005 1 402 82 82 TRP CB C 29.113 0.000 1 403 82 82 TRP N N 120.778 0.014 1 404 83 83 ARG H H 7.784 0.002 1 405 83 83 ARG HA H 4.035 0.000 1 406 83 83 ARG C C 176.649 0.000 1 407 83 83 ARG CA C 56.765 0.015 1 408 83 83 ARG CB C 30.837 0.000 1 409 83 83 ARG N N 121.575 0.009 1 410 84 84 GLN H H 8.095 0.003 1 411 84 84 GLN HA H 4.110 0.000 1 412 84 84 GLN C C 176.633 0.000 1 413 84 84 GLN CA C 56.694 0.017 1 414 84 84 GLN CB C 29.295 0.000 1 415 84 84 GLN N N 121.015 0.038 1 416 85 85 GLU H H 8.350 0.003 1 417 85 85 GLU HA H 4.210 0.000 1 418 85 85 GLU C C 177.034 0.000 1 419 85 85 GLU CA C 57.083 0.033 1 420 85 85 GLU CB C 29.977 0.000 1 421 85 85 GLU N N 121.817 0.021 1 422 86 86 MET H H 8.198 0.003 1 423 86 86 MET HA H 4.393 0.000 1 424 86 86 MET C C 177.045 0.000 1 425 86 86 MET CA C 55.748 0.008 1 426 86 86 MET CB C 32.681 0.000 1 427 86 86 MET N N 120.637 0.017 1 428 87 87 GLY H H 8.191 0.003 1 429 87 87 GLY C C 174.668 0.000 1 430 87 87 GLY CA C 45.549 0.012 1 431 87 87 GLY N N 109.729 0.022 1 432 88 88 GLY H H 8.162 0.001 1 433 88 88 GLY C C 173.921 0.000 1 434 88 88 GLY CA C 45.303 0.019 1 435 88 88 GLY N N 108.863 0.016 1 436 89 89 ASN H H 8.275 0.001 1 437 89 89 ASN HA H 4.682 0.000 1 438 89 89 ASN C C 175.108 0.000 1 439 89 89 ASN CA C 53.273 0.015 1 440 89 89 ASN CB C 38.859 0.000 1 441 89 89 ASN N N 119.246 0.009 1 442 90 90 ILE H H 8.030 0.001 1 443 90 90 ILE HA H 4.224 0.000 1 444 90 90 ILE C C 176.300 0.000 1 445 90 90 ILE CA C 61.211 0.007 1 446 90 90 ILE CB C 38.829 0.000 1 447 90 90 ILE N N 121.381 0.007 1 448 91 91 THR H H 8.219 0.001 1 449 91 91 THR HA H 4.307 0.000 1 450 91 91 THR C C 174.169 0.000 1 451 91 91 THR CA C 62.038 0.002 1 452 91 91 THR CB C 69.839 0.000 1 453 91 91 THR N N 119.484 0.015 1 454 92 92 ARG H H 8.292 0.002 1 455 92 92 ARG C C 175.976 0.000 1 456 92 92 ARG CA C 55.970 0.003 1 457 92 92 ARG CB C 30.998 0.000 1 458 92 92 ARG N N 124.973 0.013 1 459 93 93 VAL H H 8.209 0.002 1 460 93 93 VAL HA H 4.075 0.000 1 461 93 93 VAL C C 176.311 0.000 1 462 93 93 VAL CA C 62.422 0.002 1 463 93 93 VAL CB C 32.605 0.000 1 464 93 93 VAL N N 122.928 0.004 1 465 94 94 GLU H H 8.525 0.002 1 466 94 94 GLU C C 176.614 0.000 1 467 94 94 GLU CA C 56.734 0.003 1 468 94 94 GLU CB C 30.265 0.000 1 469 94 94 GLU N N 125.549 0.010 1 470 95 95 SER H H 8.260 0.001 1 471 95 95 SER HA H 4.373 0.000 1 472 95 95 SER C C 174.640 0.000 1 473 95 95 SER CA C 58.567 0.003 1 474 95 95 SER CB C 63.847 0.022 1 475 95 95 SER N N 117.065 0.008 1 476 96 96 GLU H H 8.387 0.003 1 477 96 96 GLU HA H 4.233 0.000 1 478 96 96 GLU C C 176.179 0.000 1 479 96 96 GLU CA C 56.861 0.002 1 480 96 96 GLU CB C 30.221 0.000 1 481 96 96 GLU N N 123.035 0.016 1 482 97 97 ASN H H 8.336 0.002 1 483 97 97 ASN HA H 4.653 0.000 1 484 97 97 ASN C C 174.830 0.000 1 485 97 97 ASN CA C 53.240 0.019 1 486 97 97 ASN CB C 38.783 0.000 1 487 97 97 ASN N N 120.031 0.014 1 488 98 98 LYS H H 8.134 0.002 1 489 98 98 LYS C C 176.136 0.000 1 490 98 98 LYS CA C 56.186 0.010 1 491 98 98 LYS CB C 32.921 0.000 1 492 98 98 LYS N N 122.491 0.017 1 493 99 99 VAL H H 8.090 0.001 1 494 99 99 VAL HA H 4.067 0.000 1 495 99 99 VAL C C 175.773 0.000 1 496 99 99 VAL CA C 62.356 0.078 1 497 99 99 VAL N N 122.837 0.017 1 498 100 100 VAL H H 8.224 0.002 1 499 100 100 VAL HA H 4.072 0.000 1 500 100 100 VAL C C 175.508 0.000 1 501 100 100 VAL CA C 62.164 0.000 1 502 100 100 VAL CB C 32.934 0.000 1 503 100 100 VAL N N 126.294 0.017 1 504 101 101 ILE H H 8.275 0.001 1 505 101 101 ILE HA H 4.139 0.000 1 506 101 101 ILE C C 175.965 0.000 1 507 101 101 ILE CA C 60.556 0.001 1 508 101 101 ILE CB C 38.357 0.000 1 509 101 101 ILE N N 127.113 0.019 1 510 102 102 LEU H H 8.329 0.002 1 511 102 102 LEU HA H 4.363 0.000 1 512 102 102 LEU C C 176.821 0.000 1 513 102 102 LEU CA C 54.892 0.018 1 514 102 102 LEU CB C 42.577 0.000 1 515 102 102 LEU N N 128.070 0.017 1 516 103 103 ASP H H 8.231 0.002 1 517 103 103 ASP HA H 4.535 0.000 1 518 103 103 ASP C C 175.976 0.000 1 519 103 103 ASP CA C 54.374 0.005 1 520 103 103 ASP CB C 41.367 0.000 1 521 103 103 ASP N N 122.017 0.014 1 522 104 104 SER H H 8.023 0.002 1 523 104 104 SER HA H 4.342 0.000 1 524 104 104 SER C C 173.991 0.000 1 525 104 104 SER CA C 58.126 0.009 1 526 104 104 SER CB C 63.849 0.000 1 527 104 104 SER N N 115.916 0.008 1 528 105 105 PHE H H 8.175 0.002 1 529 105 105 PHE HA H 4.600 0.000 1 530 105 105 PHE C C 175.148 0.000 1 531 105 105 PHE CA C 57.607 0.001 1 532 105 105 PHE CB C 39.635 0.000 1 533 105 105 PHE N N 122.591 0.011 1 534 106 106 GLU H H 8.096 0.002 1 535 106 106 GLU CA C 54.005 0.000 1 536 106 106 GLU CB C 30.128 0.000 1 537 106 106 GLU N N 124.858 0.013 1 538 107 107 PRO HA H 4.308 0.000 1 539 107 107 PRO C C 176.664 0.000 1 540 107 107 PRO CA C 62.970 0.000 1 541 108 108 LEU H H 8.229 0.001 1 542 108 108 LEU HA H 4.202 0.000 1 543 108 108 LEU C C 177.208 0.000 1 544 108 108 LEU CA C 55.254 0.000 1 545 108 108 LEU CB C 42.319 0.000 1 546 108 108 LEU N N 122.254 0.017 1 547 109 109 HIS H H 8.356 0.002 1 548 109 109 HIS HA H 4.652 0.000 1 549 109 109 HIS C C 174.290 0.000 1 550 109 109 HIS CA C 55.160 0.005 1 551 109 109 HIS CB C 29.698 0.000 1 552 109 109 HIS N N 120.237 0.010 1 553 110 110 ALA H H 8.377 0.001 1 554 110 110 ALA HA H 4.323 0.000 1 555 110 110 ALA C C 177.189 0.000 1 556 110 110 ALA CA C 52.334 0.010 1 557 110 110 ALA CB C 19.538 0.000 1 558 110 110 ALA N N 126.765 0.018 1 559 111 111 ASP H H 8.388 0.002 1 560 111 111 ASP HA H 4.571 0.000 1 561 111 111 ASP C C 176.758 0.000 1 562 111 111 ASP CA C 54.604 0.001 1 563 111 111 ASP CB C 41.261 0.000 1 564 111 111 ASP N N 120.635 0.031 1 565 112 112 GLY H H 8.298 0.001 1 566 112 112 GLY C C 174.021 0.000 1 567 112 112 GLY CA C 45.487 0.002 1 568 112 112 GLY N N 109.910 0.018 1 569 113 113 ASP H H 8.178 0.002 1 570 113 113 ASP HA H 4.584 0.000 1 571 113 113 ASP C C 176.601 0.000 1 572 113 113 ASP CA C 54.385 0.001 1 573 113 113 ASP CB C 41.373 0.000 1 574 113 113 ASP N N 121.333 0.009 1 575 114 114 GLU H H 8.502 0.002 1 576 114 114 GLU HA H 4.176 0.000 1 577 114 114 GLU C C 176.977 0.000 1 578 114 114 GLU CA C 57.351 0.006 1 579 114 114 GLU CB C 29.626 0.000 1 580 114 114 GLU N N 122.334 0.016 1 581 115 115 ARG H H 8.228 0.003 1 582 115 115 ARG HA H 4.216 0.000 1 583 115 115 ARG C C 176.758 0.000 1 584 115 115 ARG CA C 56.879 0.001 1 585 115 115 ARG CB C 30.641 0.000 1 586 115 115 ARG N N 121.661 0.016 1 587 116 116 GLU H H 8.249 0.003 1 588 116 116 GLU HA H 4.206 0.000 1 589 116 116 GLU C C 177.044 0.000 1 590 116 116 GLU CA C 57.139 0.001 1 591 116 116 GLU CB C 30.031 0.000 1 592 116 116 GLU N N 121.451 0.032 1 593 117 117 ILE H H 8.078 0.003 1 594 117 117 ILE HA H 4.091 0.000 1 595 117 117 ILE C C 176.660 0.000 1 596 117 117 ILE CA C 61.932 0.035 1 597 117 117 ILE CB C 38.479 0.000 1 598 117 117 ILE N N 121.884 0.007 1 599 118 118 SER H H 8.196 0.003 1 600 118 118 SER HA H 4.438 0.000 1 601 118 118 SER C C 175.321 0.000 1 602 118 118 SER CA C 58.845 0.000 1 603 118 118 SER CB C 63.651 0.000 1 604 118 118 SER N N 119.592 0.019 1 605 119 119 VAL H H 8.114 0.002 1 606 119 119 VAL HA H 3.951 0.000 1 607 119 119 VAL C C 176.938 0.000 1 608 119 119 VAL CA C 63.951 0.008 1 609 119 119 VAL CB C 31.953 0.000 1 610 119 119 VAL N N 123.326 0.011 1 611 120 120 ALA H H 8.136 0.004 1 612 120 120 ALA HA H 4.129 0.000 1 613 120 120 ALA C C 178.996 0.000 1 614 120 120 ALA CA C 53.961 0.005 1 615 120 120 ALA CB C 18.619 0.000 1 616 120 120 ALA N N 125.160 0.042 1 617 121 121 ALA H H 8.115 0.004 1 618 121 121 ALA HA H 4.113 0.000 1 619 121 121 ALA C C 179.369 0.000 1 620 121 121 ALA CA C 54.190 0.009 1 621 121 121 ALA CB C 18.660 0.000 1 622 121 121 ALA N N 122.100 0.022 1 623 122 122 GLU H H 8.116 0.005 1 624 122 122 GLU HA H 4.135 0.000 1 625 122 122 GLU C C 178.024 0.000 1 626 122 122 GLU CA C 58.256 0.006 1 627 122 122 GLU CB C 29.622 0.000 1 628 122 122 GLU N N 120.032 0.013 1 629 123 123 ILE H H 7.880 0.002 1 630 123 123 ILE HA H 3.828 0.000 1 631 123 123 ILE C C 178.141 0.000 1 632 123 123 ILE CA C 63.456 0.009 1 633 123 123 ILE CB C 37.989 0.000 1 634 123 123 ILE N N 120.917 0.011 1 635 124 124 LEU H H 7.833 0.005 1 636 124 124 LEU HA H 4.153 0.000 1 637 124 124 LEU C C 178.678 0.000 1 638 124 124 LEU CA C 56.754 0.004 1 639 124 124 LEU CB C 42.071 0.000 1 640 124 124 LEU N N 122.850 0.028 1 641 125 125 ARG H H 8.006 0.003 1 642 125 125 ARG C C 177.704 0.000 1 643 125 125 ARG CA C 58.053 0.011 1 644 125 125 ARG CB C 30.575 0.000 1 645 125 125 ARG N N 120.489 0.015 1 646 126 126 LYS H H 7.991 0.001 1 647 126 126 LYS HA H 4.194 0.000 1 648 126 126 LYS C C 177.250 0.000 1 649 126 126 LYS CA C 57.501 0.004 1 650 126 126 LYS CB C 32.782 0.000 1 651 126 126 LYS N N 120.102 0.016 1 652 127 127 SER H H 7.968 0.003 1 653 127 127 SER C C 174.594 0.000 1 654 127 127 SER CA C 59.023 0.034 1 655 127 127 SER CB C 63.779 0.000 1 656 127 127 SER N N 115.745 0.032 1 657 128 128 ARG H H 7.934 0.003 1 658 128 128 ARG HA H 4.229 0.000 1 659 128 128 ARG C C 175.870 0.000 1 660 128 128 ARG CA C 56.355 0.017 1 661 128 128 ARG N N 122.464 0.002 1 662 129 129 LYS H H 7.994 0.003 1 663 129 129 LYS C C 175.797 0.000 1 664 129 129 LYS CA C 56.152 0.001 1 665 129 129 LYS CB C 30.491 0.000 1 666 129 129 LYS N N 121.756 0.026 1 667 130 130 PHE H H 8.104 0.001 1 668 130 130 PHE CA C 55.428 0.000 1 669 130 130 PHE CB C 39.116 0.000 1 670 130 130 PHE N N 121.906 0.013 1 671 131 131 PRO HA H 4.410 0.000 1 672 131 131 PRO C C 176.843 0.000 1 673 131 131 PRO CA C 63.401 0.000 1 674 132 132 SER H H 8.222 0.004 1 675 132 132 SER HA H 4.352 0.000 1 676 132 132 SER C C 174.156 0.000 1 677 132 132 SER CA C 58.470 0.001 1 678 132 132 SER N N 116.357 0.021 1 679 133 133 ALA H H 8.184 0.003 1 680 133 133 ALA HA H 4.295 0.000 1 681 133 133 ALA C C 177.208 0.000 1 682 133 133 ALA CA C 52.149 0.016 1 683 133 133 ALA CB C 19.353 0.000 1 684 133 133 ALA N N 125.805 0.012 1 685 134 134 LEU H H 7.945 0.004 1 686 134 134 LEU CA C 52.853 0.000 1 687 134 134 LEU CB C 42.035 0.000 1 688 134 134 LEU N N 122.993 0.013 1 689 135 135 PRO HA H 4.199 0.000 1 690 135 135 PRO C C 177.366 0.000 1 691 136 136 ILE H H 8.107 0.004 1 692 136 136 ILE CA C 62.813 0.000 1 693 136 136 ILE N N 120.463 0.013 1 694 137 137 TRP H H 7.054 0.004 1 695 137 137 TRP C C 175.749 0.000 1 696 137 137 TRP CA C 56.086 0.003 1 697 137 137 TRP N N 119.159 0.004 1 698 138 138 ALA H H 7.476 0.002 1 699 138 138 ALA HA H 4.302 0.000 1 700 138 138 ALA C C 176.651 0.000 1 701 138 138 ALA CA C 51.726 0.007 1 702 138 138 ALA CB C 19.486 0.000 1 703 138 138 ALA N N 125.089 0.015 1 704 139 139 ARG H H 7.644 0.004 1 705 139 139 ARG CA C 54.292 0.000 1 706 139 139 ARG CB C 30.446 0.000 1 707 139 139 ARG N N 120.975 0.010 1 708 140 140 PRO HA H 4.358 0.000 1 709 140 140 PRO C C 176.435 0.000 1 710 140 140 PRO CA C 63.781 0.000 1 711 141 141 ASP H H 8.238 0.002 1 712 141 141 ASP HA H 4.484 0.000 1 713 141 141 ASP C C 175.556 0.000 1 714 141 141 ASP CA C 53.848 0.020 1 715 141 141 ASP CB C 40.495 0.000 1 716 141 141 ASP N N 118.166 0.020 1 717 142 142 TYR H H 7.731 0.001 1 718 142 142 TYR HA H 4.466 0.000 1 719 142 142 TYR C C 174.749 0.000 1 720 142 142 TYR CA C 57.993 0.029 1 721 142 142 TYR CB C 39.040 0.000 1 722 142 142 TYR N N 121.191 0.015 1 723 143 143 ASN H H 8.090 0.003 1 724 143 143 ASN CA C 50.780 0.000 1 725 143 143 ASN CB C 39.464 0.000 1 726 143 143 ASN N N 124.383 0.017 1 727 145 145 PRO HA H 4.357 0.000 1 728 145 145 PRO C C 176.697 0.000 1 729 145 145 PRO CA C 62.875 0.000 1 730 146 146 LEU H H 8.145 0.001 1 731 146 146 LEU HA H 4.258 0.000 1 732 146 146 LEU C C 177.265 0.000 1 733 146 146 LEU CA C 55.105 0.035 1 734 146 146 LEU CB C 42.267 0.000 1 735 146 146 LEU N N 122.648 0.030 1 736 147 147 LEU H H 8.067 0.002 1 737 147 147 LEU HA H 4.277 0.000 1 738 147 147 LEU C C 177.308 0.000 1 739 147 147 LEU CA C 55.186 0.061 1 740 147 147 LEU CB C 42.338 0.000 1 741 147 147 LEU N N 123.616 0.026 1 742 148 148 GLU H H 8.338 0.001 1 743 148 148 GLU HA H 4.130 0.000 1 744 148 148 GLU C C 176.721 0.000 1 745 148 148 GLU CA C 56.648 0.003 1 746 148 148 GLU CB C 29.972 0.000 1 747 148 148 GLU N N 122.093 0.013 1 748 149 149 SER H H 8.102 0.002 1 749 149 149 SER HA H 4.243 0.000 1 750 149 149 SER C C 174.242 0.000 1 751 149 149 SER CA C 58.874 0.029 1 752 149 149 SER CB C 63.469 0.000 1 753 149 149 SER N N 116.979 0.007 1 754 150 150 TRP H H 7.775 0.002 1 755 150 150 TRP HA H 4.424 0.000 1 756 150 150 TRP C C 175.724 0.000 1 757 150 150 TRP CA C 57.466 0.001 1 758 150 150 TRP CB C 29.169 0.000 1 759 150 150 TRP N N 122.355 0.012 1 760 151 151 LYS H H 7.479 0.003 1 761 151 151 LYS HA H 4.086 0.000 1 762 151 151 LYS C C 175.222 0.000 1 763 151 151 LYS CA C 55.615 0.000 1 764 151 151 LYS CB C 33.204 0.000 1 765 151 151 LYS N N 123.307 0.008 1 766 152 152 ASP H H 7.893 0.003 1 767 152 152 ASP CA C 52.215 0.000 1 768 152 152 ASP CB C 41.432 0.000 1 769 152 152 ASP N N 123.547 0.014 1 770 153 153 PRO HA H 4.338 0.000 1 771 153 153 PRO C C 176.862 0.000 1 772 153 153 PRO CA C 63.836 0.000 1 773 154 154 ASP H H 8.301 0.004 1 774 154 154 ASP C C 175.743 0.000 1 775 154 154 ASP CA C 54.257 0.024 1 776 154 154 ASP CB C 41.037 0.000 1 777 154 154 ASP N N 118.945 0.025 1 778 155 155 TYR H H 7.667 0.002 1 779 155 155 TYR HA H 4.344 0.000 1 780 155 155 TYR CA C 58.636 0.000 1 781 155 155 TYR CB C 39.002 0.000 1 782 155 155 TYR N N 121.801 0.014 1 783 156 156 VAL H H 7.619 0.002 1 784 156 156 VAL CA C 58.791 0.000 1 785 156 156 VAL CB C 33.332 0.000 1 786 156 156 VAL N N 128.939 0.027 1 787 158 158 PRO HA H 4.378 0.000 1 788 158 158 PRO C C 176.676 0.000 1 789 158 158 PRO CA C 62.732 0.000 1 790 159 159 VAL H H 8.045 0.002 1 791 159 159 VAL HA H 3.995 0.000 1 792 159 159 VAL C C 176.027 0.000 1 793 159 159 VAL CA C 62.256 0.020 1 794 159 159 VAL CB C 32.720 0.000 1 795 159 159 VAL N N 121.160 0.020 1 796 160 160 VAL H H 8.156 0.001 1 797 160 160 VAL HA H 4.046 0.000 1 798 160 160 VAL C C 175.765 0.000 1 799 160 160 VAL CA C 61.974 0.038 1 800 160 160 VAL CB C 32.895 0.000 1 801 160 160 VAL N N 125.398 0.031 1 802 161 161 HIS H H 8.466 0.003 1 803 161 161 HIS HA H 4.252 0.000 1 804 161 161 HIS C C 175.082 0.000 1 805 161 161 HIS CA C 56.075 0.072 1 806 161 161 HIS N N 124.639 0.014 1 807 162 162 GLY H H 8.357 0.007 1 808 162 162 GLY C C 173.512 0.000 1 809 162 162 GLY CA C 45.137 0.005 1 810 162 162 GLY N N 110.903 0.047 1 811 163 163 CYS H H 8.155 0.003 1 812 163 163 CYS CA C 56.377 0.000 1 813 163 163 CYS CB C 27.670 0.000 1 814 163 163 CYS N N 121.084 0.017 1 815 164 164 PRO HA H 4.414 0.000 1 816 164 164 PRO C C 176.465 0.000 1 817 164 164 PRO CA C 63.076 0.000 1 818 165 165 LEU H H 8.205 0.002 1 819 165 165 LEU CA C 52.913 0.000 1 820 165 165 LEU CB C 41.769 0.000 1 821 165 165 LEU N N 124.376 0.025 1 822 166 166 PRO CB C 32.030 0.000 1 823 167 167 PRO HA H 4.459 0.000 1 824 167 167 PRO C C 177.147 0.000 1 825 167 167 PRO CA C 62.994 0.000 1 826 168 168 THR H H 8.103 0.003 1 827 168 168 THR HA H 4.239 0.000 1 828 168 168 THR C C 174.393 0.000 1 829 168 168 THR CA C 61.917 0.011 1 830 168 168 THR CB C 69.953 0.000 1 831 168 168 THR N N 115.136 0.019 1 832 169 169 LYS H H 8.219 0.002 1 833 169 169 LYS HA H 4.307 0.000 1 834 169 169 LYS C C 175.610 0.000 1 835 169 169 LYS CA C 55.851 0.000 1 836 169 169 LYS CB C 33.219 0.000 1 837 169 169 LYS N N 124.523 0.018 1 838 170 170 ALA H H 8.249 0.003 1 839 170 170 ALA CA C 50.406 0.000 1 840 170 170 ALA CB C 18.148 0.000 1 841 170 170 ALA N N 127.886 0.018 1 842 172 172 PRO HA H 4.399 0.000 1 843 172 172 PRO C C 176.563 0.000 1 844 172 172 PRO CA C 62.805 0.000 1 845 173 173 ILE H H 8.089 0.002 1 846 173 173 ILE CA C 58.491 0.000 1 847 173 173 ILE CB C 38.662 0.000 1 848 173 173 ILE N N 122.924 0.018 1 849 176 176 PRO HA H 4.376 0.000 1 850 176 176 PRO C C 176.869 0.000 1 851 176 176 PRO CA C 62.860 0.000 1 852 177 177 ARG H H 8.323 0.002 1 853 177 177 ARG HA H 4.265 0.000 1 854 177 177 ARG C C 176.304 0.000 1 855 177 177 ARG CA C 55.978 0.003 1 856 177 177 ARG CB C 30.888 0.000 1 857 177 177 ARG N N 121.848 0.013 1 858 178 178 ARG H H 8.324 0.002 1 859 178 178 ARG HA H 4.302 0.000 1 860 178 178 ARG C C 176.039 0.000 1 861 178 178 ARG CA C 55.930 0.032 1 862 178 178 ARG CB C 30.969 0.000 1 863 178 178 ARG N N 123.203 0.017 1 864 179 179 LYS H H 8.384 0.002 1 865 179 179 LYS HA H 4.273 0.000 1 866 179 179 LYS C C 176.346 0.000 1 867 179 179 LYS CA C 56.244 0.000 1 868 179 179 LYS CB C 33.393 0.000 1 869 179 179 LYS N N 124.046 0.018 1 870 180 180 ARG H H 8.440 0.002 1 871 180 180 ARG HA H 4.349 0.000 1 872 180 180 ARG C C 176.229 0.000 1 873 180 180 ARG CA C 56.096 0.006 1 874 180 180 ARG CB C 31.018 0.000 1 875 180 180 ARG N N 123.882 0.031 1 876 181 181 THR H H 8.253 0.002 1 877 181 181 THR HA H 4.302 0.000 1 878 181 181 THR C C 174.168 0.000 1 879 181 181 THR CA C 62.015 0.000 1 880 181 181 THR CB C 69.832 0.000 1 881 181 181 THR N N 118.022 0.020 1 882 182 182 VAL H H 8.171 0.003 1 883 182 182 VAL HA H 4.105 0.000 1 884 182 182 VAL C C 175.553 0.000 1 885 182 182 VAL CA C 62.143 0.000 1 886 182 182 VAL CB C 32.938 0.000 1 887 182 182 VAL N N 124.272 0.018 1 888 183 183 VAL H H 8.237 0.003 1 889 183 183 VAL HA H 4.073 0.000 1 890 183 183 VAL C C 175.921 0.000 1 891 183 183 VAL CA C 62.174 0.003 1 892 183 183 VAL CB C 32.715 0.000 1 893 183 183 VAL N N 125.903 0.024 1 894 184 184 LEU H H 8.399 0.002 1 895 184 184 LEU HA H 4.436 0.000 1 896 184 184 LEU C C 177.306 0.000 1 897 184 184 LEU CA C 55.049 0.005 1 898 184 184 LEU CB C 42.397 0.000 1 899 184 184 LEU N N 127.763 0.017 1 900 185 185 THR H H 8.082 0.002 1 901 185 185 THR HA H 4.311 0.000 1 902 185 185 THR C C 174.536 0.000 1 903 185 185 THR CA C 61.694 0.004 1 904 185 185 THR CB C 69.871 0.000 1 905 185 185 THR N N 115.608 0.011 1 906 186 186 GLU H H 8.389 0.002 1 907 186 186 GLU HA H 4.295 0.000 1 908 186 186 GLU C C 176.509 0.000 1 909 186 186 GLU CA C 56.737 0.005 1 910 186 186 GLU CB C 30.350 0.000 1 911 186 186 GLU N N 123.613 0.012 1 912 187 187 SER H H 8.292 0.003 1 913 187 187 SER HA H 4.408 0.000 1 914 187 187 SER C C 174.388 0.000 1 915 187 187 SER CA C 58.537 0.011 1 916 187 187 SER CB C 63.804 0.000 1 917 187 187 SER N N 117.061 0.009 1 918 188 188 ASN H H 8.411 0.002 1 919 188 188 ASN HA H 4.708 0.000 1 920 188 188 ASN C C 175.363 0.000 1 921 188 188 ASN CA C 53.427 0.010 1 922 188 188 ASN CB C 38.795 0.000 1 923 188 188 ASN N N 121.515 0.013 1 924 189 189 VAL H H 7.980 0.002 1 925 189 189 VAL HA H 4.102 0.000 1 926 189 189 VAL C C 176.440 0.000 1 927 189 189 VAL CA C 62.739 0.013 1 928 189 189 VAL CB C 32.589 0.000 1 929 189 189 VAL N N 120.416 0.016 1 930 190 190 SER H H 8.308 0.001 1 931 190 190 SER HA H 4.420 0.000 1 932 190 190 SER C C 175.224 0.000 1 933 190 190 SER CA C 58.785 0.008 1 934 190 190 SER CB C 63.655 0.000 1 935 190 190 SER N N 119.396 0.011 1 936 191 191 SER H H 8.296 0.002 1 937 191 191 SER HA H 4.387 0.000 1 938 191 191 SER C C 174.811 0.000 1 939 191 191 SER CA C 59.002 0.016 1 940 191 191 SER CB C 63.509 0.000 1 941 191 191 SER N N 118.969 0.009 1 942 192 192 ALA H H 8.175 0.002 1 943 192 192 ALA HA H 4.271 0.000 1 944 192 192 ALA C C 178.424 0.000 1 945 192 192 ALA CA C 53.253 0.013 1 946 192 192 ALA CB C 18.871 0.000 1 947 192 192 ALA N N 126.252 0.017 1 948 193 193 LEU H H 7.956 0.002 1 949 193 193 LEU HA H 4.227 0.000 1 950 193 193 LEU C C 177.964 0.000 1 951 193 193 LEU CA C 55.800 0.004 1 952 193 193 LEU CB C 42.030 0.000 1 953 193 193 LEU N N 120.696 0.012 1 954 194 194 ALA H H 8.033 0.002 1 955 194 194 ALA HA H 4.204 0.000 1 956 194 194 ALA C C 178.502 0.000 1 957 194 194 ALA CA C 53.382 0.027 1 958 194 194 ALA CB C 18.895 0.000 1 959 194 194 ALA N N 124.519 0.022 1 960 195 195 GLU H H 8.136 0.002 1 961 195 195 GLU HA H 4.186 0.000 1 962 195 195 GLU C C 177.161 0.000 1 963 195 195 GLU CA C 57.168 0.002 1 964 195 195 GLU CB C 29.935 0.000 1 965 195 195 GLU N N 119.658 0.011 1 966 196 196 LEU H H 7.965 0.002 1 967 196 196 LEU HA H 4.245 0.000 1 968 196 196 LEU C C 177.741 0.000 1 969 196 196 LEU CA C 55.740 0.009 1 970 196 196 LEU CB C 42.219 0.000 1 971 196 196 LEU N N 122.479 0.011 1 972 197 197 ALA H H 8.059 0.002 1 973 197 197 ALA HA H 4.294 0.000 1 974 197 197 ALA C C 178.216 0.000 1 975 197 197 ALA CA C 53.103 0.004 1 976 197 197 ALA CB C 19.016 0.000 1 977 197 197 ALA N N 124.136 0.014 1 978 198 198 THR H H 7.877 0.002 1 979 198 198 THR HA H 4.228 0.000 1 980 198 198 THR C C 174.818 0.000 1 981 198 198 THR CA C 62.368 0.012 1 982 198 198 THR CB C 69.722 0.000 1 983 198 198 THR N N 113.039 0.010 1 984 199 199 LYS H H 8.093 0.002 1 985 199 199 LYS HA H 4.321 0.000 1 986 199 199 LYS C C 176.552 0.000 1 987 199 199 LYS CA C 56.464 0.000 1 988 199 199 LYS CB C 32.945 0.000 1 989 199 199 LYS N N 123.876 0.013 1 990 200 200 THR H H 7.960 0.001 1 991 200 200 THR HA H 4.252 0.000 1 992 200 200 THR C C 174.288 0.000 1 993 200 200 THR CA C 61.815 0.001 1 994 200 200 THR CB C 69.882 0.000 1 995 200 200 THR N N 115.376 0.009 1 996 201 201 PHE H H 8.251 0.001 1 997 201 201 PHE HA H 4.613 0.000 1 998 201 201 PHE C C 176.320 0.000 1 999 201 201 PHE CA C 58.014 0.004 1 1000 201 201 PHE CB C 39.652 0.000 1 1001 201 201 PHE N N 123.050 0.012 1 1002 202 202 GLY H H 8.278 0.002 1 1003 202 202 GLY C C 174.240 0.000 1 1004 202 202 GLY CA C 45.316 0.000 1 1005 202 202 GLY N N 111.285 0.015 1 1006 203 203 SER H H 8.185 0.001 1 1007 203 203 SER HA H 4.489 0.000 1 1008 203 203 SER C C 174.923 0.000 1 1009 203 203 SER CA C 58.420 0.021 1 1010 203 203 SER N N 116.247 0.013 1 1011 204 204 SER H H 8.423 0.001 1 1012 204 204 SER HA H 4.469 0.000 1 1013 204 204 SER C C 175.108 0.000 1 1014 204 204 SER CA C 58.645 0.004 1 1015 204 204 SER N N 118.399 0.015 1 1016 205 205 GLY H H 8.367 0.002 1 1017 205 205 GLY C C 174.293 0.000 1 1018 205 205 GLY CA C 45.403 0.015 1 1019 205 205 GLY N N 111.397 0.019 1 1020 206 206 SER H H 8.168 0.004 1 1021 206 206 SER HA H 4.475 0.000 1 1022 206 206 SER C C 174.669 0.000 1 1023 206 206 SER CA C 58.287 0.000 1 1024 206 206 SER CB C 63.932 0.000 1 1025 206 206 SER N N 116.222 0.014 1 1026 207 207 SER H H 8.333 0.002 1 1027 207 207 SER HA H 4.451 0.000 1 1028 207 207 SER C C 174.204 0.000 1 1029 207 207 SER CA C 58.334 0.013 1 1030 207 207 SER CB C 63.890 0.000 1 1031 207 207 SER N N 118.536 0.014 1 1032 208 208 ALA H H 8.248 0.002 1 1033 208 208 ALA HA H 4.328 0.000 1 1034 208 208 ALA C C 177.806 0.000 1 1035 208 208 ALA CA C 52.608 0.000 1 1036 208 208 ALA CB C 19.250 0.000 1 1037 208 208 ALA N N 126.618 0.017 1 1038 209 209 VAL H H 7.988 0.001 1 1039 209 209 VAL HA H 4.068 0.000 1 1040 209 209 VAL C C 176.019 0.000 1 1041 209 209 VAL CA C 62.314 0.001 1 1042 209 209 VAL CB C 32.869 0.000 1 1043 209 209 VAL N N 119.226 0.010 1 1044 210 210 ASP H H 8.285 0.001 1 1045 210 210 ASP HA H 4.630 0.000 1 1046 210 210 ASP C C 176.431 0.000 1 1047 210 210 ASP CA C 54.240 0.013 1 1048 210 210 ASP CB C 41.308 0.000 1 1049 210 210 ASP N N 124.339 0.016 1 1050 211 211 SER H H 8.276 0.001 1 1051 211 211 SER HA H 4.387 0.000 1 1052 211 211 SER C C 175.344 0.000 1 1053 211 211 SER CA C 58.877 0.007 1 1054 211 211 SER CB C 63.761 0.000 1 1055 211 211 SER N N 117.664 0.010 1 1056 212 212 GLY H H 8.459 0.002 1 1057 212 212 GLY C C 174.501 0.000 1 1058 212 212 GLY CA C 45.587 0.000 1 1059 212 212 GLY N N 111.454 0.021 1 1060 213 213 THR H H 7.937 0.000 1 1061 213 213 THR HA H 4.306 0.000 1 1062 213 213 THR C C 174.466 0.000 1 1063 213 213 THR CA C 61.889 0.002 1 1064 213 213 THR CB C 69.819 0.000 1 1065 213 213 THR N N 114.313 0.008 1 1066 214 214 ALA H H 8.283 0.002 1 1067 214 214 ALA HA H 4.365 0.000 1 1068 214 214 ALA C C 177.765 0.000 1 1069 214 214 ALA CA C 52.661 0.004 1 1070 214 214 ALA CB C 19.268 0.000 1 1071 214 214 ALA N N 127.323 0.015 1 1072 215 215 THR H H 8.025 0.001 1 1073 215 215 THR HA H 4.252 0.000 1 1074 215 215 THR C C 174.020 0.000 1 1075 215 215 THR CA C 61.749 0.004 1 1076 215 215 THR CB C 69.887 0.000 1 1077 215 215 THR N N 114.386 0.011 1 1078 216 216 ALA H H 8.176 0.001 1 1079 216 216 ALA HA H 4.318 0.000 1 1080 216 216 ALA C C 177.209 0.000 1 1081 216 216 ALA CA C 52.136 0.003 1 1082 216 216 ALA CB C 19.435 0.000 1 1083 216 216 ALA N N 127.476 0.015 1 1084 217 217 LEU H H 8.228 0.001 1 1085 217 217 LEU CA C 53.019 0.000 1 1086 217 217 LEU CB C 41.635 0.000 1 1087 217 217 LEU N N 123.959 0.014 1 1088 218 218 PRO C C 176.709 0.000 1 1089 218 218 PRO CA C 63.207 0.000 1 1090 218 218 PRO CB C 32.060 0.000 1 1091 219 219 ASP H H 8.322 0.001 1 1092 219 219 ASP HA H 4.496 0.000 1 1093 219 219 ASP C C 176.264 0.000 1 1094 219 219 ASP CA C 54.493 0.005 1 1095 219 219 ASP CB C 41.034 0.000 1 1096 219 219 ASP N N 120.591 0.010 1 1097 220 220 GLN H H 8.172 0.001 1 1098 220 220 GLN HA H 4.291 0.000 1 1099 220 220 GLN C C 175.639 0.000 1 1100 220 220 GLN CA C 55.685 0.007 1 1101 220 220 GLN CB C 29.599 0.000 1 1102 220 220 GLN N N 121.008 0.012 1 1103 221 221 ALA H H 8.315 0.002 1 1104 221 221 ALA HA H 4.319 0.000 1 1105 221 221 ALA C C 177.766 0.000 1 1106 221 221 ALA CA C 52.545 0.009 1 1107 221 221 ALA CB C 19.347 0.000 1 1108 221 221 ALA N N 126.116 0.013 1 1109 222 222 SER H H 8.243 0.002 1 1110 222 222 SER HA H 4.423 0.000 1 1111 222 222 SER C C 174.359 0.000 1 1112 222 222 SER CA C 58.211 0.007 1 1113 222 222 SER CB C 63.979 0.000 1 1114 222 222 SER N N 115.902 0.016 1 1115 223 223 ASP H H 8.342 0.002 1 1116 223 223 ASP HA H 4.637 0.000 1 1117 223 223 ASP C C 176.048 0.000 1 1118 223 223 ASP CA C 54.266 0.007 1 1119 223 223 ASP CB C 41.316 0.000 1 1120 223 223 ASP N N 123.248 0.017 1 1121 224 224 ASP H H 8.245 0.002 1 1122 224 224 ASP HA H 4.582 0.000 1 1123 224 224 ASP C C 176.995 0.000 1 1124 224 224 ASP CA C 54.490 0.029 1 1125 224 224 ASP CB C 41.201 0.000 1 1126 224 224 ASP N N 121.623 0.022 1 1127 225 225 GLY H H 8.306 0.003 1 1128 225 225 GLY C C 174.108 0.000 1 1129 225 225 GLY CA C 45.593 0.001 1 1130 225 225 GLY N N 109.554 0.021 1 1131 226 226 ASP H H 8.216 0.001 1 1132 226 226 ASP HA H 4.586 0.000 1 1133 226 226 ASP C C 176.611 0.000 1 1134 226 226 ASP CA C 54.373 0.008 1 1135 226 226 ASP CB C 41.201 0.000 1 1136 226 226 ASP N N 121.079 0.012 1 1137 227 227 LYS H H 8.236 0.002 1 1138 227 227 LYS HA H 4.297 0.000 1 1139 227 227 LYS C C 177.368 0.000 1 1140 227 227 LYS CA C 56.398 0.005 1 1141 227 227 LYS CB C 32.748 0.028 1 1142 227 227 LYS N N 122.568 0.010 1 1143 228 228 GLY H H 8.390 0.002 1 1144 228 228 GLY C C 174.288 0.000 1 1145 228 228 GLY CA C 45.380 0.002 1 1146 228 228 GLY N N 110.223 0.018 1 1147 229 229 SER H H 8.163 0.001 1 1148 229 229 SER HA H 4.442 0.000 1 1149 229 229 SER C C 174.378 0.000 1 1150 229 229 SER CA C 58.349 0.005 1 1151 229 229 SER CB C 63.985 0.000 1 1152 229 229 SER N N 115.980 0.009 1 1153 230 230 ASP H H 8.406 0.002 1 1154 230 230 ASP HA H 4.631 0.000 1 1155 230 230 ASP C C 176.326 0.000 1 1156 230 230 ASP CA C 54.370 0.008 1 1157 230 230 ASP CB C 40.951 0.000 1 1158 230 230 ASP N N 123.203 0.021 1 1159 231 231 VAL H H 7.940 0.002 1 1160 231 231 VAL HA H 4.035 0.000 1 1161 231 231 VAL C C 176.441 0.000 1 1162 231 231 VAL CA C 62.499 0.013 1 1163 231 231 VAL CB C 32.714 0.000 1 1164 231 231 VAL N N 120.052 0.006 1 1165 232 232 GLU H H 8.364 0.002 1 1166 232 232 GLU HA H 4.222 0.000 1 1167 232 232 GLU C C 176.548 0.000 1 1168 232 232 GLU CA C 56.809 0.001 1 1169 232 232 GLU CB C 30.118 0.000 1 1170 232 232 GLU N N 124.505 0.014 1 1171 233 233 SER H H 8.147 0.003 1 1172 233 233 SER HA H 4.364 0.000 1 1173 233 233 SER C C 174.302 0.000 1 1174 233 233 SER CA C 58.361 0.025 1 1175 233 233 SER CB C 63.781 0.000 1 1176 233 233 SER N N 117.137 0.032 1 1177 234 234 TYR H H 8.092 0.002 1 1178 234 234 TYR HA H 4.585 0.000 1 1179 234 234 TYR C C 175.949 0.000 1 1180 234 234 TYR CA C 58.017 0.001 1 1181 234 234 TYR CB C 38.682 0.000 1 1182 234 234 TYR N N 122.707 0.021 1 1183 235 235 SER H H 8.112 0.002 1 1184 235 235 SER HA H 4.417 0.000 1 1185 235 235 SER C C 174.233 0.000 1 1186 235 235 SER CA C 58.203 0.003 1 1187 235 235 SER CB C 63.940 0.000 1 1188 235 235 SER N N 117.701 0.015 1 1189 236 236 SER H H 8.164 0.003 1 1190 236 236 SER HA H 4.435 0.000 1 1191 236 236 SER C C 174.034 0.000 1 1192 236 236 SER CA C 58.126 0.036 1 1193 236 236 SER CB C 63.855 0.000 1 1194 236 236 SER N N 118.396 0.029 1 1195 237 237 MET H H 8.182 0.002 1 1196 237 237 MET CA C 53.303 0.000 1 1197 237 237 MET CB C 32.475 0.000 1 1198 237 237 MET N N 123.815 0.013 1 1199 239 239 PRO HA H 4.389 0.000 1 1200 239 239 PRO C C 176.887 0.000 1 1201 239 239 PRO CA C 62.707 0.000 1 1202 239 239 PRO CB C 32.023 0.000 1 1203 240 240 LEU H H 8.277 0.002 1 1204 240 240 LEU HA H 4.269 0.000 1 1205 240 240 LEU C C 177.474 0.000 1 1206 240 240 LEU CA C 55.197 0.006 1 1207 240 240 LEU CB C 42.423 0.000 1 1208 240 240 LEU N N 123.395 0.012 1 1209 241 241 GLU H H 8.363 0.002 1 1210 241 241 GLU HA H 4.270 0.000 1 1211 241 241 GLU C C 176.670 0.000 1 1212 241 241 GLU CA C 56.492 0.003 1 1213 241 241 GLU CB C 30.487 0.000 1 1214 241 241 GLU N N 122.447 0.015 1 1215 242 242 GLY H H 8.280 0.002 1 1216 242 242 GLY C C 173.570 0.000 1 1217 242 242 GLY CA C 44.898 0.001 1 1218 242 242 GLY N N 110.667 0.014 1 1219 243 243 GLU H H 8.214 0.001 1 1220 243 243 GLU CA C 54.160 0.000 1 1221 243 243 GLU CB C 29.775 0.000 1 1222 243 243 GLU N N 122.195 0.011 1 1223 244 244 PRO HA H 4.367 0.000 1 1224 244 244 PRO C C 177.434 0.000 1 1225 244 244 PRO CA C 63.511 0.000 1 1226 245 245 GLY H H 8.326 0.002 1 1227 245 245 GLY C C 173.493 0.000 1 1228 245 245 GLY CA C 44.782 0.000 1 1229 245 245 GLY N N 109.644 0.017 1 1230 246 246 ASP H H 8.146 0.001 1 1231 246 246 ASP CA C 52.445 0.000 1 1232 246 246 ASP N N 122.413 0.014 1 1233 247 247 PRO HA H 4.345 0.000 1 1234 247 247 PRO C C 176.741 0.000 1 1235 247 247 PRO CA C 63.457 0.000 1 1236 248 248 ASP H H 8.383 0.002 1 1237 248 248 ASP HA H 4.567 0.000 1 1238 248 248 ASP C C 176.493 0.000 1 1239 248 248 ASP CA C 54.426 0.030 1 1240 248 248 ASP CB C 40.904 0.000 1 1241 248 248 ASP N N 120.464 0.020 1 1242 249 249 LEU H H 8.036 0.002 1 1243 249 249 LEU HA H 4.356 0.000 1 1244 249 249 LEU C C 177.669 0.000 1 1245 249 249 LEU CA C 55.055 0.010 1 1246 249 249 LEU CB C 41.977 0.000 1 1247 249 249 LEU N N 123.596 0.009 1 1248 250 250 SER H H 8.230 0.002 1 1249 250 250 SER HA H 4.372 0.000 1 1250 250 250 SER C C 174.559 0.000 1 1251 250 250 SER CA C 58.754 0.004 1 1252 250 250 SER CB C 63.891 0.000 1 1253 250 250 SER N N 117.056 0.009 1 1254 251 251 ASP H H 8.226 0.003 1 1255 251 251 ASP HA H 4.571 0.000 1 1256 251 251 ASP C C 176.911 0.000 1 1257 251 251 ASP CA C 54.376 0.002 1 1258 251 251 ASP CB C 41.163 0.000 1 1259 251 251 ASP N N 122.830 0.010 1 1260 252 252 GLY H H 8.223 0.002 1 1261 252 252 GLY C C 174.639 0.000 1 1262 252 252 GLY CA C 45.558 0.001 1 1263 252 252 GLY N N 109.953 0.015 1 1264 253 253 SER H H 8.129 0.001 1 1265 253 253 SER HA H 4.317 0.000 1 1266 253 253 SER C C 174.423 0.000 1 1267 253 253 SER CA C 58.916 0.007 1 1268 253 253 SER CB C 63.634 0.000 1 1269 253 253 SER N N 116.483 0.012 1 1270 254 254 TRP H H 7.968 0.003 1 1271 254 254 TRP HA H 4.688 0.000 1 1272 254 254 TRP C C 176.193 0.000 1 1273 254 254 TRP CA C 57.198 0.004 1 1274 254 254 TRP CB C 29.548 0.000 1 1275 254 254 TRP N N 122.898 0.012 1 1276 255 255 SER H H 7.961 0.003 1 1277 255 255 SER HA H 4.398 0.000 1 1278 255 255 SER C C 174.448 0.000 1 1279 255 255 SER CA C 58.190 0.008 1 1280 255 255 SER CB C 63.871 0.000 1 1281 255 255 SER N N 117.532 0.007 1 1282 256 256 THR H H 8.053 0.002 1 1283 256 256 THR HA H 4.321 0.000 1 1284 256 256 THR C C 174.505 0.000 1 1285 256 256 THR CA C 61.872 0.007 1 1286 256 256 THR CB C 69.735 0.000 1 1287 256 256 THR N N 116.738 0.007 1 1288 257 257 VAL H H 8.043 0.002 1 1289 257 257 VAL HA H 4.379 0.000 1 1290 257 257 VAL C C 176.080 0.000 1 1291 257 257 VAL CA C 62.233 0.021 1 1292 257 257 VAL CB C 32.875 0.000 1 1293 257 257 VAL N N 123.000 0.018 1 1294 258 258 SER H H 8.335 0.007 1 1295 258 258 SER HA H 4.440 0.000 1 1296 258 258 SER C C 174.520 0.000 1 1297 258 258 SER CA C 58.176 0.008 1 1298 258 258 SER CB C 63.891 0.000 1 1299 258 258 SER N N 120.575 0.010 1 1300 259 259 GLU H H 8.449 0.002 1 1301 259 259 GLU HA H 4.283 0.000 1 1302 259 259 GLU C C 176.432 0.000 1 1303 259 259 GLU CA C 56.606 0.001 1 1304 259 259 GLU CB C 30.379 0.000 1 1305 259 259 GLU N N 124.075 0.016 1 1306 260 260 GLU H H 8.345 0.002 1 1307 260 260 GLU HA H 4.226 0.000 1 1308 260 260 GLU C C 176.135 0.000 1 1309 260 260 GLU CA C 56.443 0.023 1 1310 260 260 GLU CB C 30.283 0.000 1 1311 260 260 GLU N N 122.594 0.015 1 1312 261 261 ALA H H 8.302 0.002 1 1313 261 261 ALA HA H 4.337 0.000 1 1314 261 261 ALA C C 177.640 0.000 1 1315 261 261 ALA CA C 52.347 0.014 1 1316 261 261 ALA CB C 19.306 0.000 1 1317 261 261 ALA N N 126.282 0.024 1 1318 262 262 SER H H 8.251 0.001 1 1319 262 262 SER HA H 4.414 0.000 1 1320 262 262 SER C C 174.681 0.000 1 1321 262 262 SER CA C 58.278 0.002 1 1322 262 262 SER CB C 63.967 0.000 1 1323 262 262 SER N N 116.407 0.008 1 1324 263 263 GLU H H 8.432 0.002 1 1325 263 263 GLU HA H 4.294 0.000 1 1326 263 263 GLU C C 176.083 0.000 1 1327 263 263 GLU CA C 56.521 0.005 1 1328 263 263 GLU CB C 30.427 0.000 1 1329 263 263 GLU N N 123.318 0.016 1 1330 264 264 ASP H H 8.301 0.002 1 1331 264 264 ASP HA H 4.580 0.000 1 1332 264 264 ASP C C 175.983 0.000 1 1333 264 264 ASP CA C 54.417 0.005 1 1334 264 264 ASP CB C 41.090 0.000 1 1335 264 264 ASP N N 122.178 0.006 1 1336 265 265 VAL H H 7.978 0.002 1 1337 265 265 VAL HA H 4.096 0.000 1 1338 265 265 VAL C C 176.067 0.000 1 1339 265 265 VAL CA C 62.179 0.034 1 1340 265 265 VAL CB C 32.915 0.000 1 1341 265 265 VAL N N 121.220 0.029 1 1342 266 266 VAL H H 8.217 0.001 1 1343 266 266 VAL HA H 4.116 0.000 1 1344 266 266 VAL C C 176.109 0.000 1 1345 266 266 VAL CA C 62.332 0.023 1 1346 266 266 VAL CB C 32.680 0.000 1 1347 266 266 VAL N N 125.372 0.016 1 1348 267 267 CYS H H 8.493 0.001 1 1349 267 267 CYS HA H 4.560 0.000 1 1350 267 267 CYS C C 173.641 0.000 1 1351 267 267 CYS CA C 58.504 0.012 1 1352 267 267 CYS CB C 28.138 0.000 1 1353 267 267 CYS N N 124.906 0.011 1 1354 268 268 CYS H H 8.011 0.001 1 1355 268 268 CYS CA C 59.436 0.000 1 1356 268 268 CYS CB C 29.019 0.000 1 1357 268 268 CYS N N 126.598 0.011 1 stop_ save_